diff --git a/mosdef_slitpore/utils/charmm_writer.py b/mosdef_slitpore/utils/charmm_writer.py new file mode 100755 index 0000000..82e63d0 --- /dev/null +++ b/mosdef_slitpore/utils/charmm_writer.py @@ -0,0 +1,2485 @@ +import os +import datetime +from collections import OrderedDict +from warnings import warn + +import numpy as np + +from parmed.utils.io import genopen +from parmed.periodic_table import Element +from parmed.utils.six.moves import range + +from mbuild import Box +from mbuild.utils.sorting import natural_sort + +from foyer import Forcefield +from foyer.forcefields import forcefields +import parmed as pmd +import mbuild as mb +import xml.dom.minidom +from warnings import warn + +def Specific_FF_to_residue(structure , forcefield_files= None, forcefield_names= None, + residues= None, reorder_res_in_pdb_psf= False, box = None, + boxes_for_simulation = 1): + + #input: + # structure = compound structure + # forcefield_files = dictionary of residues to force fields. + # Ex: {'Water' : 'oplsaa.xml', 'OCT': 'trappe-ua.xml'} + # forcefield_names = dictionary of residues to force fields. + # Ex: {'Water' : 'oplsaa', 'OCT': 'trappe-ua'} + # Note: either the forcefield_files or forcefield_names can be provided, not both. + # the forcefield_files or forcefield_names can be not be mixed combination. + # residues = list of residues + # note FFs and residues must be in sequenctial order + # box ; list of 3 positive float values or the dimensions [x, y ,z] + #for structure_1 in nanometers (nm) + #This is to add/override or change the structures dimenstions. Ex: [1,2,3] + # boxes_for_simulation; int of 1 or 2, default =1. Gibbs or grand canonical ensembles + #are examples of where the boxes_for_simulation would be 2 + + #Returns: + # structure = parmed with applied force field + # coulomb14scaler_dict = a dictionary with the 1,4-colombic scalers for each residue + # (i.e., a different force field could on each residue) + # LJ14scaler_dict = a dictionary with the 1,4-LJ scalers for each residue + # (i.e., a different force field could on each residue) + # residues_applied_list = list of residues (i.e., list of stings) + # these are all the residues in which the force field actually applied + + if forcefield_names is None and forcefield_files is None: + warn('Please enter either the forcefield_files or forcefield_names, neither were provided') + return None, None, None, None + + if forcefield_names != None and forcefield_files != None: + warn('Please enter either the forcefield_files or forcefield_names, not both') + return None, None, None, None + + elif forcefield_files != None and forcefield_names is None and not isinstance(forcefield_files, dict): + warn('The force field file (forcefield_files) is not a dictionary. Please enter a dictionary'+ + "with all the residues specified to a force field"+ + "-> Ex: {'Water' : 'oplsaa.xml', 'OCT': 'trappe-ua.xml'}, "+ + "Note: the file path must be specified the force field file") + return None, None, None, None + + elif forcefield_names != None and forcefield_files is None and not isinstance(forcefield_names, dict): + warn('The force field names (forcefield_names) is not a dictionary with' + + "with all the residues specified to a force field" + + "-> Ex: {'Water' : 'oplsaa', 'OCT': 'trappe-ua'}, " + + "Note: the file path must be specified the name per MoSDeF's naming convention.") + return None, None, None, None + + + if residues is None: + print('Please enter the residues in the Specific_FF_to_residue function') + return None, None, None, None + if reorder_res_in_pdb_psf != True and reorder_res_in_pdb_psf != False: + print('Please enter the reorder_res_in_pdb_psf in the Specific_FF_to_residue function (i.e., True or False)') + return None, None, None, None + + if box !=None : + box_Ang = [] + box_length = len(box) + if box_length != 3: + warn('Please enter all 3 values for the box dimensions.') + return None, None, None, None + for box_iter in range(0, len(box)): + if isinstance(box[ box_iter], str)==True: + warn('Please enter all positive or 0 values for the box dimensions.') + return None, None, None, None + if box[ box_iter] < 0: + warn('Please enter all positive or 0 values for the box dimensions.') + return None, None, None, None + # change from nm to Angstroms + box_Ang.append(box[ box_iter]*10) + + if boxes_for_simulation not in [1, 2]: + warn('Please enter boxes_for_simulation equal the interger 1 or 2.') + return None, None, None, None + + forcefield_keys_list = [] + Use_FF_files = False + Use_FF_names = False + if forcefield_names != None and forcefield_files is None: + Use_FF_names = True + for res in forcefield_names.keys(): + forcefield_keys_list.append(res) + FF_data = forcefield_names + elif forcefield_files != None and forcefield_names is None: + Use_FF_files = True + for res in forcefield_files.keys(): + forcefield_keys_list.append(res) + FF_data = forcefield_files + + coulomb14scaler_dict = {} + LJ14scaler_dict = {} + for j in range(0, len(forcefield_keys_list)): + if Use_FF_files == True: + residue_iteration = forcefield_keys_list[j] + FF_for_residue_iteration = FF_data[residue_iteration] + + try: + read_xlm_iteration = xml.dom.minidom.parse(FF_for_residue_iteration) + except: + warn('Please make sure are entering the correct foyer FF path, including the FF file name.xml ' + + 'If you are using the pre-build FF files in foyer, please us the forcefield_names variable.') + return None, None, None, None + + elif Use_FF_names == True: + residue_iteration = forcefield_keys_list[j] + FF_for_residue_iteration = FF_data[residue_iteration] + FF_names_path_iteration = forcefields.get_ff_path()[0] +'/xml/'+FF_for_residue_iteration+'.xml' + try: + read_xlm_iteration = xml.dom.minidom.parse(FF_names_path_iteration) + except: + warn('Please make sure are entering the correct foyer FF name and not a path to a FF file.' + + 'If you are entering a path to a FF file, please us the forcefield_files variable') + return None, None, None, None + LJ_Coul_1_4_values = read_xlm_iteration.getElementsByTagName("NonbondedForce") + + for Scaler in LJ_Coul_1_4_values: + coulomb14scaler_dict.update({residue_iteration: float(Scaler.getAttribute("coulomb14scale"))}) + LJ14scaler_dict.update({residue_iteration: float(Scaler.getAttribute("lj14scale"))}) + + # calculate the initial number of atoms for later comparison + initial_No_atoms = len(structure.to_parmed().atoms) + + # add the FF to the residues + compound_box_infor = structure.to_parmed(residues=residues) + new_structure = pmd.Structure() + new_structure.box = compound_box_infor.box + + + #prepare all compound and remove nested compounds + No_layers_to_check_for_residues = 4 + + for j in range(0, No_layers_to_check_for_residues): + new_compound_iter = mb.Compound() + new_compound_iter.periodicity[0] = structure.periodicity[0] + new_compound_iter.periodicity[1] = structure.periodicity[1] + new_compound_iter.periodicity[2] = structure.periodicity[2] + if structure.name in residues: + if len(structure.children) == 0: + warn('Warning: This residue is the atom, and is a single atom., '+str(structure.name)) + new_compound_iter.add(mb.compound.clone(structure)) + + elif len(structure.children) > 0: + + new_compound_iter.add(mb.compound.clone(structure)) + + else: + for child in structure.children: + if len(child.children)==0: + if child.name not in residues: + warn('ERROR: All the residues are not specified') + return None, None, None, None + + else: + new_compound_iter.add(mb.compound.clone(child)) + + elif len(child.children) > 0: + if child.name in residues: + new_compound_iter.add(mb.compound.clone(child)) + else: + for sub_child in child.children: + if sub_child.name in residues: + new_compound_iter.add(mb.compound.clone(sub_child)) + else: + if len(sub_child.children)==0 and (child.name not in residues): + warn('ERROR: All the residues are not specified') + return None, None, None, None + + structure = new_compound_iter + + + + residues_applied_list = [] + Residue_orig_order_list = [] + for child in structure.children: + if child.name not in Residue_orig_order_list: + Residue_orig_order_list.append(child.name) + for res_reorder_iter in range(0,len(residues)): + if residues[res_reorder_iter] not in Residue_orig_order_list: + text_to_print_1 = "All the residues were not used from the forcefield_names or forcefield_files "+ \ + "string or dictionary. There may be residues below other specified residues "+ \ + "in the mbuild.Compound hierarchy. If so, all the highest listed residues pass "+ \ + "down the force fields through the hierarchy. Alternatively, "+ \ + "residues that are not in the structure may have been specified. " + text_to_print_2 = "Note: This warning will appear if you are using the CHARMM pdb and psf writers "+ \ + "2 boxes, and the boxes do not contain all the residues in each box." + if boxes_for_simulation == 1: + warn(text_to_print_1) + return None, None, None, None + if boxes_for_simulation == 2: + warn(text_to_print_1 +text_to_print_2) + + if reorder_res_in_pdb_psf==False: + residues = Residue_orig_order_list + elif reorder_res_in_pdb_psf==True: + print("Information: the output file are being reordered in via the residues list's sequence. ") + + + + for i in range(0, len(residues)): + children_in_iteration = False + new_compound_iteration = mb.Compound() + new_compound_iter.periodicity[0] = structure.periodicity[0] + new_compound_iter.periodicity[1] = structure.periodicity[1] + new_compound_iter.periodicity[2] = structure.periodicity[2] + new_structure_iteration = pmd.Structure() + new_structure_iteration.box = compound_box_infor.box + for child in structure.children: + if FF_data.get(child.name) is None: + warn('ERROR: All residues are not specified in the force_field dictionary') + return None, None, None, None + + if child.name == residues[i]: + children_in_iteration = True + new_compound_iteration.add(mb.compound.clone(child)) + + if children_in_iteration == True: + if Use_FF_files == True: + FF_iteration = Forcefield(FF_data[residues[i]]) + residues_applied_list.append(residues[i]) + elif Use_FF_names == True: + FF_iteration = Forcefield(name=FF_data[residues[i]]) + residues_applied_list.append(residues[i]) + + + new_structure_iteration = FF_iteration.apply(new_compound_iteration, residues=[residues[i]]) + new_structure = new_structure + new_structure_iteration + + if box != None: + new_structure.box[0] = box_Ang[0] + new_structure.box[1] = box_Ang[1] + new_structure.box[2] = box_Ang[2] + + + structure = new_structure + + # calculate the final number of atoms + final_No_atoms = len(structure.atoms) + + if final_No_atoms != initial_No_atoms: + warn('ERROR: The initial number of atoms send to the force field analysis is not the same '+ + 'as the final number of atoms analyzed. The intial number of atoms was ' + str(initial_No_atoms) + + ' and the final number of atoms was ' + str(final_No_atoms) +'. Please ensure that all '+ + 'the residues names that are in the initial Compound are listed in the '+ + 'residues list (i.e., the residues variable)') + return None, None, None, None + + return structure, coulomb14scaler_dict, LJ14scaler_dict, residues_applied_list + + + + +def RB_to_OPLS(c0, c1, c2, c3, c4, c5): + """Converts Ryckaert-Bellemans type dihedrals to OPLS type. + + Parameters + ---------- + c0, c1, c2, c3, c4, c5 : Ryckaert-Belleman coefficients (in kcal/mol) + + Returns + ------- + opls_coeffs : np.array, shape=(4) + Array containing the OPLS dihedrals coeffs f1, f2, f3, and f4 + (in kcal/mol) + + """ + + f1 = (-1.5 * c3) - (2 * c1) + f2 = c0 + c1 + c3 + f3 = -0.5 * c3 + f4 = -0.25 * c4 + return np.array([f1, f2, f3, f4]) + + +def RB_to_CHARMM(c0, c1, c2, c3, c4, c5): + """Converts Ryckaert-Bellemans (RB) type dihedrals to CHARMM type + or + + RB_torsions = c0 + c1*Cos[Psi] + c2*Cos[Psi]^2 + c3*CosPsi]^3 + c4*Cos[Psi]^4 + c5*Cos[5*Psi]^5 + + where Psi= t-Pi = t - 180 degress + + Parameters + ---------- + c0, c1, c2, c3, c4, c5 : Ryckaert-Belleman coefficients (in kcal/mol) + + converts to: + + CHARMM_torsions = + = K0 * (1 + Cos[n0*(t) - (d0)] ) + K1 * (1 + Cos[n1*(t) - (d1)] ) + K2 * (1 + Cos[n2*(t) - (d2)] ) + + K3 * (1 + Cos[n3*(t) - (d3)] ) + K4 * (1 + Cos[n4*(t) - (d4)] ) + K5 * (1 + Cos[n5*(t) - (d5)] ) . + + = K0 + K1 * (1 + Cos[n1*(t) - (d1)] ) + K2 * (1 + Cos[n2*(t) - (d2)] ) + + K3 * (1 + Cos[n3*(t) - (d3)] ) + K4 * (1 + Cos[n4*(t) - (d4)] ) + K5 * (1 + Cos[n5*(t) - (d5)] ) . + + Returns + ------- + 0, K1, K2, K3, K4, K5, n0, n1, n2, n3, n4, n5, d0, d1, d2, d3, d4, and d5 : Charmm coefficients (in kcal/mol) + + CHARMM_ dihedral coeffs : np.matrix, shape=(6,3) + Array containing the CHARMM dihedral coeffs [[K0, n0, d0], [K1, n1, d1], [K2, n2, d2], [K3, n3, d3], + [K4, n4, d4], [K5, n5, d5]] (in kcal/mol) + + """ + # see below or the long version is, K0 = (c0 + c2 / 2 + 3 / 8 * c4) - K1 - K2 - K3 - K4 - K5 + K0 = (c0 -c1 - c3 - c4/4 - c5) + K1 = (+c1 + 3/4 * c3 + 5/8 * c5) + K2 = (+(1/2) * c2 + 1/2 * c4) + K3 = (+(1/4) * c3 + 5/16 * c5) + K4 = (+(1/8) * c4) + K5 = (+(1/16) * c5) + + + n0 = 0 + n1 = 1 + n2 = 2 + n3 = 3 + n4 = 4 + n5 = 5 + + d0 = 90 + d1 = 180 + d2 = 0 + d3 = 180 + d4 = 0 + d5 = 180 + + + return np.matrix([[K0, n0, d0], [K1, n1, d1], [K2, n2, d2], [K3, n3, d3], [K4, n4, d4], [K5, n5, d5]]) + + + + + +#*********************************************** +# Converting base-10 to base-62 functions (start) +#*********************************************** + +def base10_to_base62_alph_num(base10_No): + '''Converst base 10 to base 62 so pdb/psf files can add may more than + 9999 atoms and 999 residues.''' + + '''base10_No = the base-10 number that you want to convert to base-62)''' + + base62_No = 62 + base10_No = int(base10_No) + + whole_no =1 + remainder = changeDigit_base10_to_base62_alph_num(int(base10_No % base62_No)) + base62_Values = str(remainder) + power =1 + + while whole_no != 0: + whole_no =int(base10_No / base62_No**power) + + if whole_no == base62_No : + base62_Values = str(0)+base62_Values + + elif (whole_no != 0) and (whole_no > base62_No) : + base62_Values = str(changeDigit_base10_to_base62_alph_num(int(whole_no % base62_No))) + base62_Values + + elif (whole_no != 0) and (whole_no < base62_No): + base62_Values = str(changeDigit_base10_to_base62_alph_num(int(whole_no))) + base62_Values + + + power =power+1 + + return base62_Values + +def changeDigit_base10_to_base62_alph_num(current_digit): + '''The supplimental digits for the base10_to_base62_alph_num function, + which Converts the base 10 to base 62 ''' + + '''current_digit = the currenty digit for this base. + (i.e. in base10 it would be the one, ten, hundreds, or thousands places .....)''' + + base62_No = 62 + decimal = [10, 11, 12, 13, 14, 15, 16, 17, 18, 19, + 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, + 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, + 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, + 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, + 60, 61] + base62_Values = ["A", "B", "C", "D", "E", "F", "G", "H", "I", "J", + "K", "L", "M", "N", "O", "P", "Q", "R", "S", "T", + "U", "V", "W", "X", "Y", "Z", "a", "b", "c", "d", + "e", "f", "g", "h", "i", "j", "k", "l", "m", "n", + "o", "p", "q", "r", "s", "t", "u", "v", "w", "x", + "y", "z"] + for counter in range(int(base62_No-10)): + if current_digit == decimal[counter - 1]: + current_digit = base62_Values[counter - 1] + return current_digit + + + + +def unique_entries_in_List(list1): + '''checks the list to see how many entries are unique ''' + unique_list = [] + + # traverse for all elements + for x in list1: + # check if exists in unique_list or not + if x not in unique_list: + unique_list.append(x) + # print list + return unique_list + +#*********************************************** +# Converting base-10 to base-62 functions (end) +#*********************************************** + + + + + +#*********************************************** +# Converting base-10 to base-16 functions (start) +#*********************************************** + +def base10_to_base16_alph_num(base10_No): + '''Converst base 10 to base 16 so pdb/psf files can add may more than + 9999 atoms and 999 residues.''' + + '''base10_No = the base-10 number that you want to convert to base-16)''' + + base16_No = 16 + base10_No = int(base10_No) + + whole_no =1 + remainder = changeDigit_base10_to_base16_alph_num(int(base10_No % base16_No)) + base16_Values = str(remainder) + power =1 + + while whole_no != 0: + whole_no =int(base10_No / base16_No**power) + + if whole_no == base16_No : + base16_Values = str(0)+base16_Values + + elif (whole_no != 0) and (whole_no > base16_No) : + base16_Values = str(changeDigit_base10_to_base16_alph_num(int(whole_no % base16_No))) + base16_Values + + elif (whole_no != 0) and (whole_no < base16_No): + base16_Values = str(changeDigit_base10_to_base16_alph_num(int(whole_no))) + base16_Values + + + power =power+1 + + return base16_Values + +def changeDigit_base10_to_base16_alph_num(current_digit): + '''The supplimental digits for the base10_to_base16_alph_num function, + which Converts the base 10 to base 16 ''' + + '''current_digit = the currenty digit for this base. + (i.e. in base10 it would be the one, ten, hundreds, or thousands places .....)''' + + base16_No = 16 + decimal = [10, 11, 12, 13, 14, 15] + base16_Values = [ "a", "b", "c", "d", "e", "f"] + for counter in range(int(base16_No-10)): + if current_digit == decimal[counter - 1]: + current_digit = base16_Values[counter - 1] + return current_digit + + + +#*********************************************** +# Converting base-10 to base-16 functions (end) +#*********************************************** + + +#*********************************************** +# Converting base-10 to base-52 functions (start) +#*********************************************** + +def base10_to_base52_alph_num(base10_No): + '''Converst base 10 to base 52 so pdb/psf files can add may more than + 9999 atoms and 999 residues.''' + + '''base10_No = the base-10 number that you want to convert to base-52)''' + + base52_No = 52 + base10_No = int(base10_No) + + whole_no =1 + remainder = changeDigit_base10_to_base52_alph_num(int(base10_No % base52_No)) + base52_Values = str(remainder) + power =1 + + while whole_no != 0: + whole_no =int(base10_No / base52_No**power) + + if whole_no == base52_No : + base52_Values = str('A')+base52_Values + + elif (whole_no != 0) and (whole_no > base52_No) : + #base52_Values = str(changeDigit_base10_to_base52_alph_num(int(whole_no % base52_No))) + base52_Values + base52_Values = str(changeDigit_base10_to_base52_alph_num(int(whole_no % base52_No)))+ base52_Values + elif (whole_no != 0) and (whole_no < base52_No): + #base52_Values = str(changeDigit_base10_to_base52_alph_num(int(whole_no))) + base52_Values + base52_Values =str(changeDigit_base10_to_base52_alph_num(int(whole_no)))+ base52_Values + + + power =power+1 + + return base52_Values + +def changeDigit_base10_to_base52_alph_num(current_digit): + '''The supplimental digits for the base10_to_base52_alph_num function, + which Converts the base 10 to base 52 ''' + + '''current_digit = the currenty digit for this base. + (i.e. in base10 it would be the one, ten, hundreds, or thousands places .....)''' + + + base52_Values = ["A", "B", "C", "D", "E", "F", "G", "H", "I", "J", + "K", "L", "M", "N", "O", "P", "Q", "R", "S", "T", + "U", "V", "W", "X", "Y", "Z", "a", "b", "c", "d", + "e", "f", "g", "h", "i", "j", "k", "l", "m", "n", + "o", "p", "q", "r", "s", "t", "u", "v", "w", "x", + "y", "z"] + + + + current_digit = base52_Values[current_digit] + return current_digit + + + + +#*********************************************** +# Converting base-10 to base-52 functions (end) +#*********************************************** + +def generate_impropers_for_PSF(stucture, + Dihedrals): + + for improper_iteration in stucture.impropers: + yield (improper_iteration.atom1, improper_iteration.atom2, + improper_iteration.atom3, improper_iteration.atom4) + + for dihedral_iteration in Dihedrals: + if dihedral_iteration.improper: + yield (dihedral_iteration.atom1, dihedral_iteration.atom2, + dihedral_iteration.atom3, dihedral_iteration.atom4) + +def _get_bond_type_key(bond, + sigma_conversion_factor, + epsilon_conversion_factor): + """Get the bond_type key for a bond""" + return ( + round(bond.type.k * (sigma_conversion_factor ** 2 / epsilon_conversion_factor), 3), + round(bond.type.req / sigma_conversion_factor, 3), + tuple(sorted((bond.atom1.type, bond.atom2.type))), + bond.atom1.residue.name, bond.atom2.residue.name + ) + + +def _get_angle_type_key(angle, + sigma_conversion_factor, + epsilon_conversion_factor): + """Get the angle_type key for an angle""" + return ( + round(angle.type.k*(sigma_conversion_factor**2/epsilon_conversion_factor), 3), + round(angle.type.theteq, 3), + angle.atom2.type, + tuple(sorted((angle.atom1.type, angle.atom3.type))), + angle.atom1.residue.name, angle.atom2.residue.name, + angle.atom3.residue.name + ) + + +def _get_dihedral_rb_torsion_key(dihedral, + epsilon_conversion_factor): + lj_unit = 1 / epsilon_conversion_factor + return ( + round(dihedral.type.c0*lj_unit, 3), + round(dihedral.type.c1*lj_unit, 3), + round(dihedral.type.c2*lj_unit, 3), + round(dihedral.type.c3*lj_unit, 3), + round(dihedral.type.c4*lj_unit, 3), + round(dihedral.type.c5*lj_unit, 3), + round(dihedral.type.scee, 1), + round(dihedral.type.scnb, 1), + dihedral.atom1.type, + dihedral.atom2.type, + dihedral.atom3.type, + dihedral.atom4.type, + dihedral.atom1.residue.name, + dihedral.atom2.residue.name, + dihedral.atom3.residue.name, + dihedral.atom4.residue.name + ) + + +def _get_improper_type_key(improper, + epsilon_conversion_factor): + lj_unit = 1 / epsilon_conversion_factor + return ( + round(improper.type.psi_k * lj_unit, 3), + round(improper.type.psi_eq, 3), + improper.atom1.type, + improper.atom2.type, + improper.atom3.type, + improper.atom4.type, + improper.atom1.residue.name, + improper.atom2.residue.name, + improper.atom3.residue.name, + improper.atom4.residue.name + ) + + +def _get_unique_bond_types(structure, + sigma_conversion_factor, + epsilon_conversion_factor): + unique_bond_set = set() + for bond in structure.bonds: + unique_bond_set.add( + _get_bond_type_key(bond, sigma_conversion_factor, epsilon_conversion_factor) + ) + + return {bond_key: i+1 for i, bond_key in enumerate(unique_bond_set)} + + +def _get_unique_angle_types(structure, + sigma_conversion_factor, + epsilon_conversion_factor): + unique_angle_set = set() + for angle in structure.angles: + unique_angle_set.add( + _get_angle_type_key(angle, sigma_conversion_factor, epsilon_conversion_factor) + ) + + return {angle_key: i+1 for i, angle_key in enumerate(unique_angle_set)} + + +def _get_unique_rb_torsion_types(structure, + epsilon_conversion_factor): + unique_dihedral_set = set() + for dihedral in structure.rb_torsions: + unique_dihedral_set.add( + _get_dihedral_rb_torsion_key(dihedral, epsilon_conversion_factor) + ) + + return {torsion_key: i + 1 for i, torsion_key in enumerate(unique_dihedral_set)} + + +def _get_unique_improper_types(structure, + epsilon_conversion_factor): + unique_improper_set = set() + for improper in structure.impropers: + unique_improper_set.add(_get_improper_type_key(improper, epsilon_conversion_factor)) + + return {improper_key: i + 1 for i, improper_key in enumerate(unique_improper_set)} + + +def _get_bond_types(structure, + bonds, + sigma_conversion_factor, + epsilon_conversion_factor): + """Get a list of unique bond_types given a parmed structure + + Parameters + ---------- + structure: parmed.Structure + The parmed structure + bonds: + #ToDO: What is this intended for? + #FIXME: Improve this docstring + sigma_conversion_factor: float + The sigma conversion factor + epsilon_conversion_factor: float + The epsilon conversion factor + + Returns + ------- + + """ + unique_bond_types = _get_unique_bond_types( + structure, + sigma_conversion_factor, + epsilon_conversion_factor + ) + + bond_types = [ + unique_bond_types[_get_bond_type_key(bond, sigma_conversion_factor, epsilon_conversion_factor)] + for bond in structure.bonds + ] + + unique_bond_check_dict = {} + for i_value_bond, i_key_bond in unique_bond_types.items(): + i_value_duplicated = False + for j_value_bond, j_key_bond in unique_bond_types.items(): + j_value_bond_reorder = (j_value_bond[0], j_value_bond[1], + j_value_bond[2][0], j_value_bond[2][0], + j_value_bond[3], j_value_bond[4]) + + if i_value_bond == j_value_bond_reorder: + i_value_duplicated = True + if i_value_bond[2][0] > j_value_bond[2][0]: + unique_bond_check_dict.update({j_value_bond: len(unique_bond_check_dict)}) + else: + unique_bond_check_dict.update({i_value_bond: len(unique_bond_check_dict)}) + + if i_value_duplicated == False: + unique_bond_check_dict.update({i_value_bond: len(unique_bond_check_dict)}) + + unique_bond_types = OrderedDict([(y, x) for y, x in unique_bond_check_dict.items()]) + + return bond_types, unique_bond_types + + +def _get_angle_types(structure, + sigma_conversion_factor, + epsilon_conversion_factor, + use_urey_bradleys=False): + if use_urey_bradleys: + warn('ERROR : Urey-Bradleys are not available in the current version of this psf, pdb, and GOMC writer.') + return None, None + else: + unique_angle_types = _get_unique_angle_types( + structure, + sigma_conversion_factor, + epsilon_conversion_factor + ) + + angle_types = [unique_angle_types[_get_angle_type_key( + angle, + sigma_conversion_factor, + epsilon_conversion_factor + )] for angle in structure.angles] + + unique_angle_check_dict = {} + for i_value_ang, i_key_ang in unique_angle_types.items(): + i_value_duplicated = False + for j_value_ang, j_key_ang in unique_angle_types.items(): + j_value_ang_reorder = (j_value_ang[0], j_value_ang[1], + j_value_ang[2], j_value_ang[3][0], j_value_ang[3][1], + j_value_ang[4], j_value_ang[5], j_value_ang[6]) + + if i_value_ang == j_value_ang_reorder: + i_value_duplicated = True + if i_value_ang[2] > j_value_ang[2]: + unique_angle_check_dict.update({j_value_ang: len(unique_angle_check_dict) }) + else: + unique_angle_check_dict.update({i_value_ang: len(unique_angle_check_dict) }) + + if not i_value_duplicated: + unique_angle_check_dict.update({i_value_ang: len(unique_angle_check_dict)}) + + unique_angle_types = OrderedDict([(y, x) for y, x in unique_angle_check_dict.items()]) + + return angle_types, unique_angle_types + + +def _get_dihedral_types(structure, + use_rb_torsions, + use_dihedrals, + epsilon_conversion_factor): + if use_rb_torsions: + unique_dihedral_types = _get_unique_rb_torsion_types(structure, epsilon_conversion_factor) + + dihedral_types = [ + unique_dihedral_types[ + _get_dihedral_rb_torsion_key(dihedral, epsilon_conversion_factor)] + for dihedral in structure.rb_torsions + ] + + elif use_dihedrals: + warn('ERROR : Using the charmm style and impropers is not available in the current version of '+ + 'this psf, pdb, and GOMC writer.') + return None, None + + unique_dihedral_check_dict = OrderedDict() + for i_value_dihed, i_key_dihed in unique_dihedral_types.items(): + i_value_duplicated = False + for j_value_dihed, j_key_dihed in unique_dihedral_types.items(): + j_value_dihed_reorder = (j_value_dihed[0], j_value_dihed[1], j_value_dihed[2], j_value_dihed[3], + j_value_dihed[4], j_value_dihed[5], j_value_dihed[6], j_value_dihed[7], + j_value_dihed[11], j_value_dihed[10], j_value_dihed[9], j_value_dihed[8], + j_value_dihed[15], j_value_dihed[14], j_value_dihed[13], j_value_dihed[12]) + + if i_value_dihed == j_value_dihed_reorder: + i_value_duplicated = True + if i_value_dihed[8] > j_value_dihed[8]: + unique_dihedral_check_dict.update({j_value_dihed: len(unique_dihedral_check_dict)+1}) + else: + unique_dihedral_check_dict.update({i_value_dihed: len(unique_dihedral_check_dict)+1}) + if i_value_duplicated == False: + unique_dihedral_check_dict.update({i_value_dihed: len(unique_dihedral_check_dict)+1 }) + + unique_dihedral_types = OrderedDict([(y, x) for y, x in unique_dihedral_check_dict.items()]) + + return dihedral_types, unique_dihedral_types + + +def _get_impropers(structure, epsilon_conversion_factor): + unique_improper_types = _get_unique_improper_types(structure, epsilon_conversion_factor) + + improper_types = [ + unique_improper_types[ + _get_improper_type_key(improper, epsilon_conversion_factor)] + for improper in structure.impropers + ] + + # If impropers are added to GOMC, add the atom sorter for the unique combinations here + + return improper_types, unique_improper_types + + +def unique_atom_naming(structure, residue_ID_list, residue_names_list, Bead_to_atom_name_dict=None): + + """ Outputs + unique_Individual_atom_names_dict : dictionary + All the unique atom names compiled into a dictionary. + Individual_atom_names_List : list, in sequential order + The atom names for every atom in the system + Missing_Bead_to_atom_name : list, in sequential order + The bead names of any atoms beads that did not have a name specificed to them + via the Bead_to_atom_name_dict + + Parameters + ---------- + structure : compound object + residue_ID_list : list, in sequential order + The residue ID for every atom in the system + residue_names_list : list, in sequential order + The atom names for every atom in the system + Bead_to_atom_name_dict: dictionary ; optional, default =None + For all atom names/elements/beads with 2 or less digits, this converts + the atom name in the GOMC psf and pdb files to a unique atom name, + provided they do not exceed 3844 atoms (62^2) of the same name/element/bead + per residue. For all atom names/elements/beads with 3 digits, this converts + the atom name in the GOMC psf and pdb files to a unique atom name, + provided they do not exceed 62 of the same name/element pre residue. + Example dictionary: {'_CH3':'C', '_CH2':'C', '_CH':'C', '_HC':'C'} + """ + unique_Individual_atom_names_dict = {} + Individual_atom_names_List = [] + Missing_Bead_to_atom_name = [] + for i, atom in enumerate(structure.atoms): + interate_thru_names = True + j = 0 + while interate_thru_names == True: + j = j + 1 + if str(atom.name)[:1] == '_': + if Bead_to_atom_name_dict != None and (str(atom.name) in Bead_to_atom_name_dict) == True: + if len(Bead_to_atom_name_dict[str(atom.name)]) > 2: + text_to_write = ('ERROR: only enter atom names that have 2 or less digits' + + ' in the Bead to atom naming dictionary (Bead_to_atom_name_dict) ') + warn(text_to_write) + return None, None, None + else: + atom_name_value = Bead_to_atom_name_dict[str(atom.name)] + No_digits_atom_name = 2 + else: + Missing_Bead_to_atom_name.append(1) + atom_name_value = 'BD' + No_digits_atom_name = 2 + elif len(str(atom.name)) > 2: + if len(str(atom.name)) == 3: + No_digits_atom_name = 1 + else: + text_to_write = ('ERROR: atom numbering will not work propery at' + + ' the element has more than 4 charaters') + warn(text_to_write) + return None, None, None + else: + No_digits_atom_name = 2 + atom_name_value = atom.name + atom_name_iteration = str(atom_name_value) + str(base10_to_base62_alph_num(j)) + atom_ResNo_ResName_AtomName_iteration = str(residue_ID_list[i]) + '_' \ + + str(residue_names_list[i]) + '_' + atom_name_iteration + + if unique_Individual_atom_names_dict.get(str(atom_ResNo_ResName_AtomName_iteration)) is None: + unique_Individual_atom_names_dict.update({atom_ResNo_ResName_AtomName_iteration: i + 1}) + interate_thru_names = False + Individual_atom_names_List.append( + str(atom_name_value) + str(str(base10_to_base62_alph_num(j))[-No_digits_atom_name:])) + + if sum(Missing_Bead_to_atom_name) > 0: + warn("NOTE: All bead names were not found in the Bead to atom naming dictionary (Bead_to_atom_name_dict) ") + + return unique_Individual_atom_names_dict, Individual_atom_names_List, Missing_Bead_to_atom_name + + +# Currently the NBFIX is disabled as since only the OPLS and TRAPPE force fields are currently supported + +def charmm_psf_psb_FF(structure_0, filename_0, structure_1 = None, filename_1= None, + non_bonded_type='LJ', forcefield_files=None, forcefield_names = None, residues=None, + detect_forcefield_style=True, fix_res_bonds_angles = None, Bead_to_atom_name_dict=None, + fix_residue=None, fix_residue_in_box=None, FF_filename= None, + reorder_res_in_pdb_psf =False, box_0 = None, box_1 = None , **kwargs): + + """Output a GOMC data file. + + Outputs a GOMC data file The units are as follows + * Mw = g/mol + * Harmonic bonds : Kb = kcal/mol, b0 = Angstroms + * Harmonic angles : Ktheta = kcal/mole/rad**2 , Theta0 = degrees + * Dihedral angles: Ktheta = kcal/mole, n = interger (unitless), delta = degrees + * nonbonded : epsilon = kcal/mol, Rmin = Angstroms, n = interger (unitless) + Note: units are the same at the LAMMPS real units. The atom style + is the same as the lammps 'full' atom style format. + + Parameters + ---------- + structure_0 : compound object + filename_0 : str + Path of the output file for structure_0 + structure_1 : compound object number 2, optional + (Ex: for GCMC or GEMC simulations which have mulitiple simulation boxes) + filename_1 : str , optional + Path of the output file for structure_1 (Ex: for GCMC or GEMC simulations + which have mulitiple simulation boxes) + non_bonded_type : str. optional, default = 'LJ' (i.e., Lennard-Jones ) + Specify the type of non-bonded potential for the GOMC force field files. + Note: Currently, on the 'LJ' potential is supported. + residues : str of list of str + Labels of unique residues in the Compound. Residues are assigned by + checking against Compound.name. + Note: to write the GOMC force field files and the psf files the + residues and forcefield_files/forcefiled_names must be provided in a list, which + is in sequential order of each other. (Example: + residues = ['WAT', 'OIL'] and forcefield_files/forcefiled_names = [WAT_FF_file, OIL_FF_file] + forcefield_files : str or dictionary, default = None + Apply a forcefield to the output file using a forcefield provided + by the `foyer` package. + Note: to write the GOMC force field files and the psf files the + residues and forcefield_files must be provided in a str or + dictionary. If a dictionary is provided all residues must + be specified to a force field. + Ex dict: {'Water' : 'oplsaa.xml', 'OCT': 'trappe-ua.xml'} + Ex str: 'trappe-ua.xml' + Note: the file path name must also be specified. + forcefield_names : str or dictionary, default = None + Apply a forcefield to the output file using a forcefield provided + by the `foyer` package. These forcefields are called by name and + stored in the prebuilt foyer package. + Note: to write the GOMC force field files and the psf files the + residues and forcefield_names must be provided in a str or + dictionary. If a dictionary is provided all residues must + be specified to a force field. + Ex dict: {'Water' : 'oplsaa', 'OCT': 'trappe-ua'} + Ex str: 'trappe-ua' + Note: the file path name must also be specified. + detect_forcefield_style: boolean + If True, format lammpsdata parameters based on the contents of + the parmed structure_0 + fix_res_bonds_angles: list, default = None + When list of residues is provided, the selected residues will have + their bonds and angles fixed in the GOMC engine. This is specifically + for the GOMC engine and it changes the residue's bond constants (Kbs) + and angle constants (Kthetas) values to 999999999999 in the + FF file (i.e., the .inp file). + Bead_to_atom_name_dict: dict, optional, default =None + For all atom names/elements/beads with 2 or less digits, this converts + the atom name in the GOMC psf and pdb files to a unique atom name, + provided they do not exceed 3844 atoms (62^2) of the same name/element/bead + per residue. For all atom names/elements/beads with 3 digits, this converts + the atom name in the GOMC psf and pdb files to a unique atom name, + provided they do not exceed 62 of the same name/element pre residue. + Example dictionary: {'_CH3':'C', '_CH2':'C', '_CH':'C', '_HC':'C'} + fix_residue: list or None, default = None + Changes occcur in the pdb file only. + When residues are listed here, all the atoms in the residue are + fixed and can not move via setting the Beta values in the PDB + file to 1.00. + If neither fix_residue or fix_residue_in_box lists a + residue or both equal None, then the Beta values for all the atoms + in the residue are free to move in the simulation and Beta values + in the PDB file is set to 0.00 + fix_residue_in_box: list or None, default = None + Changes occcur in the pdb file only. + When residues are listed here, all the atoms in the residue become + can move within the box but cannot be transferred between boxes + via setting the Beta values in the PDB file to 2.00. + If neither fix_residue or fix_residue_in_box lists a + residue or both equal None, then the Beta values for all the atoms + in the residue are free to move in the simulation and Beta values + in the PDB file is set to 0.00 + FF_filename ; str, default =None + If a sting, it will write the force field files that work in + GOMC and NAMD + structures + reorder_res_in_pdb_psf ; bool, default =False + If False, the order of of the atoms in the pdb file is kept in + its original order, as in the Compound sent to the writer. + If True, the order of the atoms is reordered based on their + residue names in the 'residues' list that was entered. + box_0 ; list of 3 positive float values or the dimensions [x, y ,z] + for structure_0 in nanometers (nm) + This is to add/override or change the structures dimenstions. Ex: [1,2,3] + box_1 ; list of 3 positive float values or the dimensions [x, y ,z] + for structure_1 in nanometers (nm) + This is to add/override or change the structures dimenstions. Ex: [1,2,3] + Notes + ----- + Impropers and NBFIX are not currenly supported + Currently the NBFIX is disabled as since only the OPLS and TRAPPE force fields are supported + OPLS and CHARMM forcefield styles are supported, AMBER forcefield styles are NOT supported. + Impropers and Urey-Bradleys are not supported for GOMC + + The atom typing is currently provided via a base 62 numbering. + + Unique atom names are provided if the system do not exceed 3844 atoms (62^2) of the same + name/bead per residue (base 62 numbering). For all atom names/elements with 3 or less digits, + this converts the atom name in the GOMC psf and pdb files to a unique atom name, + provided they do not exceed 62 of the same name/element pre residue. + + Generating an empty pdb/psf: + Single System: Enter residues = [], but the accompanying structure (structure_0) + must be an empty mb.Compound structure. However, when doing this, the forcefield_names or + forcefield_files must be supplied, or it will provide an error + (i.e., forcefield_files and forcefield_names are both not equal to None) + Dual System: Enter an empty mb.Compound structure for either structure_0 or + structure_1. + + In this current FF/psf/pdb writer, a residue type is essentially a molecule type. + Therefore, it can only correctly write systems where every bead/atom in the molecule + has the same residue name, and the residue name is specific to that molecule type. + For example: a protein molecule with many residue names is not currently supported, + but is planned to be supported in the future. + + """ + + date_time = datetime.datetime.today() + + if not isinstance(residues, list): + warn('Error: Please enter the residues list (residues) in a list format') + return None + + if residues is None: + warn('Error: Please enter the residues list (residues)') + return None + if not isinstance(filename_0, str): + warn('Error: Please enter the filename_0 as a string') + return None + + unique_residue_test_name_list = [] + for res_m in range(0, len(residues)): + if residues[res_m] not in unique_residue_test_name_list: + unique_residue_test_name_list.append(residues[res_m]) + if len(unique_residue_test_name_list) != len(residues): + warn('Error: Please enter the residues list (residues) that has only unique residue names') + return None + + if filename_1 != None and not isinstance(filename_1, str): + warn('Error: Please enter the filename_1 as a string') + return None + + if structure_1 is None and box_1 != None: + warn('Error: box_1 is set to a value but there is not a structure 1 to use it on.') + return None + + + if FF_filename != None: + if not isinstance(FF_filename, str) : + warn('Error: Please enter GOMC force field name (FF_filename) as a string') + return None + if isinstance(FF_filename, str) : + extension_FF_name = os.path.splitext(FF_filename)[-1] + if extension_FF_name != '.inp': + FF_filename = FF_filename + '.inp' + + if forcefield_names is None and forcefield_files is None: + warn('Please enter either the forcefield_files or forcefield_names, neither were provided') + return None + + if forcefield_names != None and forcefield_files != None: + warn('Please enter either the forcefield_files or forcefield_names, not both') + return None + + if forcefield_files != None and forcefield_names is None: + print('write_gomcdata: forcefield_files = '+str(forcefield_files) +', ' +'residues = '+str(residues) ) + if forcefield_files != None and not isinstance(forcefield_files, dict) and not isinstance(forcefield_files, str): + warn('The force field file (forcefield_files) is not a string or a dictionary with' + + ' all the residues specified to a force field.' + + "-> String Ex: 'path/trappe-ua.xml' ." + + "Otherise provided a dictionary with all the residues specified to a force field " + + "->Dictionary Ex: {'Water' : 'path/oplsaa.xml', 'OCT': 'path/trappe-ua.xml'}, " + + "Note: the file path must be specified the force field file") + return None + + if isinstance(forcefield_files, str)== True : + FF_name = forcefield_files + forcefield_files = {} + for i in range(0, len(residues)): + forcefield_files.update({residues[i] : FF_name}) + print('FF forcefield_files = '+str(forcefield_files)) + + elif forcefield_names != None and forcefield_files is None: + print('write_gomcdata: forcefield_names = ' + str(forcefield_names) + ', ' + 'residues = ' + str(residues)) + + + if forcefield_names != None and not isinstance(forcefield_names, dict) and not isinstance(forcefield_names,str): + warn('The force field names (forcefield_names) is not a string or a dictionary with' + + ' all the residues specified to a force field.' + + "-> String Ex: 'trappe-ua' or 'oplsaa' ." + + "Otherise provided a dictionary with all the residues specified to a force field " + + "->Dictionary Ex: {'Water' : 'oplsaa', 'OCT': 'trappe-ua'}, " + + "Note: the file path must be specified the force field file") + return None + + + if isinstance(forcefield_names, str) == True: + FF_name = forcefield_names + forcefield_names = {} + for i in range(0, len(residues)): + forcefield_names.update({residues[i]: FF_name}) + print('FF forcefield_names = ' + str(forcefield_names)) + + + if residues != None and not isinstance(residues, list): + warn('Error: Please enter the residues (residues) in a list format') + return None + + + + + if fix_res_bonds_angles != None and not isinstance(fix_res_bonds_angles, list): + warn('Error: Please enter the residues that have fixed angles' + + ' and bonds (fix_res_bonds_angles) in a list format') + return None + + if isinstance(fix_res_bonds_angles, list): + for q in range(0,len(fix_res_bonds_angles)): + if fix_res_bonds_angles[q] not in residues: + warn('Error: Please ensure that all the residue names in the fix_res_bonds_angles ' + + 'list are also in the residues list.') + return None + else: + print('INFORMATION: The following residues will have fixed bonds' + + ' and angles: fix_res_bonds_angles = ' +str(fix_res_bonds_angles)) + + + if fix_residue != None and not isinstance(fix_residue, list): + warn('Error: Please enter the fix_residue in a list format') + return None + + if isinstance(fix_residue, list): + for q in range(0,len(fix_residue)): + if fix_residue[q] not in residues: + warn('Error: Please ensure that all the residue names in the fix_residue ' + + 'list are also in the residues list.') + return None + + if fix_residue_in_box != None and not isinstance(fix_residue_in_box, list): + warn('Error: Please enter the fix_residue_in_box in a list format') + return None + + if isinstance(fix_residue_in_box, list): + for q in range(0,len(fix_residue_in_box)): + if fix_residue_in_box[q] not in residues: + warn('Error: Please ensure that all the residue names in the fix_residue_in_box ' + + 'list are also in the residues list.') + return None + + if Bead_to_atom_name_dict != None and not isinstance(Bead_to_atom_name_dict, dict): + warn('Error: Please enter the a bead type to atom in the' + + ' dictionary (Bead_to_atom_name_dict) ' + + 'so GOMC can properly evaluate the unique atom names') + return None + + if box_0 !=None : + box_length = len(box_0) + if box_length != 3: + warn('Please enter all 3 values for the box_0 dimensions.') + return None + for box_iter in range(0, len(box_0)): + if isinstance(box_0[ box_iter], str)==True: + warn('Please enter all positive or 0 values for the box_0 dimensions.') + return None + if box_0[ box_iter] < 0: + warn('Please enter all positive or 0 values for the box_0 dimensions.') + return None + + if box_1 !=None : + box_length = len(box_1) + if box_length != 3: + warn('Please enter all 3 values for the box_1 dimensions.') + return None + for box_iter in range(0, len(box_1)): + if isinstance(box_1[ box_iter], str)==True: + warn('Please enter all positive or 0 values for the box_1 dimensions.') + return None + if box_1[ box_iter] < 0: + warn('Please enter all positive or 0 values for the box_1 dimensions.') + return None + + + print("******************************") + print("") + sub_1_for_base_52 = 1 + + if structure_1 != None: + boxes_for_simulation = 2 + else: + boxes_for_simulation = 1 + + #write the Force fields + combined_1_4_LJ_dict_per_residue = {} + combined_1_4_Coul_dict_per_residue = {} + if structure_1 != None: + + print('GOMC FF writing each residues FF as a group for structure_0') + structure_0_FF, \ + coulomb14scaler_dict_0, \ + LJ14scaler_dict_0,\ + residues_applied_list_0 = Specific_FF_to_residue(structure_0, + forcefield_files=forcefield_files, + forcefield_names=forcefield_names, + residues=residues, + reorder_res_in_pdb_psf=reorder_res_in_pdb_psf, + box = box_0, + boxes_for_simulation = boxes_for_simulation) + test_Specific_FF_to_residue_for_failure = [structure_0_FF, coulomb14scaler_dict_0, + LJ14scaler_dict_0, residues_applied_list_0] + for iter_test_Specifc_res_fail in range(0, len(test_Specific_FF_to_residue_for_failure)): + if test_Specific_FF_to_residue_for_failure[iter_test_Specifc_res_fail] is None: + return None + + print('GOMC FF writing each residues FF as a group for structure_1') + structure_1_FF, \ + coulomb14scaler_dict_1, \ + LJ14scaler_dict_1, \ + residues_applied_list_1 = Specific_FF_to_residue(structure_1, + forcefield_files=forcefield_files, + forcefield_names=forcefield_names, + residues=residues, + reorder_res_in_pdb_psf=reorder_res_in_pdb_psf, + box = box_1, + boxes_for_simulation = boxes_for_simulation) + test_Specific_FF_to_residue_for_failure = [structure_1_FF, coulomb14scaler_dict_1, + LJ14scaler_dict_1, residues_applied_list_1] + for iter_test_Specifc_res_fail in range(0, len(test_Specific_FF_to_residue_for_failure)): + if test_Specific_FF_to_residue_for_failure[iter_test_Specifc_res_fail] is None: + return None + + structure_0_and_1_FF =structure_0_FF + structure_1_FF + combined_1_4_LJ_dict_per_residue.update(coulomb14scaler_dict_0) + combined_1_4_LJ_dict_per_residue.update(coulomb14scaler_dict_1) + combined_1_4_Coul_dict_per_residue.update(coulomb14scaler_dict_0) + combined_1_4_Coul_dict_per_residue.update(coulomb14scaler_dict_1) + + residues_applied_list_0_and_1 = residues_applied_list_0 + for res_iter in range(0,len(residues_applied_list_1 )): + if residues_applied_list_1[res_iter] not in residues_applied_list_0: + residues_applied_list_0_and_1.append(residues_applied_list_1[res_iter]) + + for res_iter_1 in range(0, len(residues_applied_list_0_and_1)): + if residues_applied_list_0_and_1[res_iter_1] not in residues: + warn("All the residues were not used from the forcefield_names or forcefield_files " + \ + "string or dictionary. There may be residues below other specified residues " + \ + "in the mbuild.Compound hierarchy. If so, the residues acquire the residue's " + \ + "force fields, which is at the top of the hierarchy. Alternatively, " + \ + "residues that are not in the structure may have been specified.") + return None + + for res_iter_1 in range(0, len(residues)): + if residues[res_iter_1] not in residues_applied_list_0_and_1: + warn("All the residues were not used from the forcefield_names or forcefield_files " + \ + "string or dictionary. There may be residues below other specified residues " + \ + "in the mbuild.Compound hierarchy. If so, the residues acquire the residue's " + \ + "force fields, which is at the top of the hierarchy. Alternatively, " + \ + "residues that are not in the structure may have been specified.") + return None + + total_charge = sum([atom.charge for atom in structure_0_FF]) + if round(total_charge, 4) != 0.0: + warn('System is not charge neutral for structure_0. Total charge is {}.'.format(total_charge)) + + total_charge = sum([atom.charge for atom in structure_1_FF]) + if round(total_charge, 4) != 0.0: + warn('System is not charge neutral for structure_1. Total charge is {}.'.format(total_charge)) + + total_charge = sum([atom.charge for atom in structure_0_and_1_FF]) + if round(total_charge, 4) != 0.0: + warn('System is not charge neutral for structure__0_and_1. Total charge is {}.'.format(total_charge)) + + else: + + + print('GOMC FF writing each residues FF as a group for structure_0') + structure_0_FF, \ + coulomb14scaler_dict_0, \ + LJ14scaler_dict_0, \ + residues_applied_list_0 = Specific_FF_to_residue(structure_0, + forcefield_files=forcefield_files, + forcefield_names=forcefield_names, + residues=residues, + reorder_res_in_pdb_psf=reorder_res_in_pdb_psf, + box=box_0, + boxes_for_simulation = boxes_for_simulation) + test_Specific_FF_to_residue_for_failure = [ structure_0_FF, coulomb14scaler_dict_0, + LJ14scaler_dict_0, residues_applied_list_0 ] + for iter_test_Specifc_res_fail in range(0, len(test_Specific_FF_to_residue_for_failure)): + if test_Specific_FF_to_residue_for_failure[iter_test_Specifc_res_fail] is None: + return None + + combined_1_4_LJ_dict_per_residue.update(coulomb14scaler_dict_0) + combined_1_4_Coul_dict_per_residue.update(coulomb14scaler_dict_0) + + for res_iter_1 in range(0, len(residues_applied_list_0)): + if residues_applied_list_0[res_iter_1] not in residues: + warn("All the residues were not used from the forcefield_names or forcefield_files " + \ + "string or dictionary. There may be residues below other specified residues " + \ + "in the mbuild.Compound hierarchy. If so, the residues acquire the residue's " + \ + "force fields, which is at the top of the hierarchy. Alternatively, " + \ + "residues that are not in the structure may have been specified.") + return None + + for res_iter_1 in range(0, len(residues)): + if residues[res_iter_1] not in residues_applied_list_0: + warn("All the residues were not used from the forcefield_names or forcefield_files " + \ + "string or dictionary. There may be residues below other specified residues " + \ + "in the mbuild.Compound hierarchy. If so, the residues acquire the residue's " + \ + "force fields, which is at the top of the hierarchy. Alternatively, " + \ + "residues that are not in the structure may have been specified.") + return None + + total_charge = sum([atom.charge for atom in structure_0_FF]) + if round(total_charge, 4) != 0.0: + warn('System is not charge neutral for structure_0. Total charge is {}.'.format(total_charge)) + + + unique_residue_data_dict = {} + unique_residue_data_list = [] + residue_data_name_list = [] + if structure_1 != None: + residue_iterate = 0 + for m, residue in enumerate(structure_0_FF.residues): + residue_iterate = residue_iterate + 1 + unique_residue_data_list.append(str(structure_0_FF.residues[m])) + unique_residue_data_dict.update({unique_residue_data_list[m]: m + 1}) + residue_data_name_list.append(structure_0_FF.residues[m].name) + + for m, residue in enumerate(structure_1_FF.residues): + unique_residue_data_list.append(str(structure_1_FF.residues[m])) + unique_residue_data_dict.update({unique_residue_data_list[m]: m + 1 + residue_iterate}) + residue_data_name_list.append(structure_1_FF.residues[m].name) + + + else: + for m, residue in enumerate(structure_0_FF.residues): + unique_residue_data_list.append(str(structure_0_FF.residues[m])) + unique_residue_data_dict.update({unique_residue_data_list[m]: m + 1}) + residue_data_name_list.append(structure_0_FF.residues[m].name) + + + + + for n in range(0, len(residue_data_name_list)): + if residue_data_name_list[n] not in residues: + print('residue_data_name_list = '+str(residue_data_name_list)) + warn('Error: Please specifiy all residues (residues) in a list') + return None + + if forcefield_files != None: + print('forcefield type from compound = '+str( forcefield_files)) + elif forcefield_names != None: + print('forcefield type from compound = ' + str(forcefield_names)) + print('coulomb14scale from compound = ' + str(combined_1_4_Coul_dict_per_residue)) + print('lj14scale from compound = ' + str(combined_1_4_LJ_dict_per_residue)) + + # lock the atom_style and unit_style for GOMC. Can be inserted into variables once more functionality is built in + atom_style = 'full' + unit_style = 'real' + # functional form type default. Can be inserted into variables once more functionality is built in + use_rb_torsions = True + use_dihedrals = False + use_urey_bradleys = False + + # Convert coordinates to LJ units + if unit_style == 'real': + sigma_conversion_factor = 1 + epsilon_conversion_factor = 1 + mass_conversion_factor = 1 + else: + warn("unit_style is not real and thus not available to this writer") + return None + + + if structure_1 !=None: + types = [atom.type+'_'+str(atom.residue.name) for atom in structure_0_and_1_FF.atoms] + + else: + types = [atom.type + '_' + str(atom.residue.name) for atom in structure_0_FF.atoms] + + unique_types = list(set(types)) + unique_types.sort(key=natural_sort) + + print('unique_types = '+str(unique_types)) + + #*************** + # edited fix for residues (start) + # *************** + if structure_1 !=None: + masses = np.array([atom.mass for atom in structure_0_and_1_FF.atoms]) / mass_conversion_factor + mass_dict = dict([(unique_types.index(atom_type) + 1, mass) for atom_type, mass in zip(types, masses)]) + + else: + masses = np.array([atom.mass for atom in structure_0_FF.atoms]) / mass_conversion_factor + mass_dict = dict([(unique_types.index(atom_type) + 1, mass) for atom_type, mass in zip(types, masses)]) + + + # added an index so the atom types can be converted to numbers as the type name is to long for insertion into + # the pdb and psf files + atom_types_to_index_value_dict = dict( + [(unique_types[unique_types.index(atom_type)], unique_types.index(atom_type) ) for atom_type, masses in + zip(types, masses)]) + + box_0 = Box(lengths=np.array([0.1 * val for val in structure_0_FF.box[0:3]]),angles=structure_0_FF.box[3:6]) + #Divide by conversion factor + box_0.maxs /= sigma_conversion_factor + + #Internally use nm + if structure_1 != None: + box_1 = Box(lengths=np.array([0.1 * val for val in structure_1_FF.box[0:3]]), + angles=structure_1_FF.box[3:6]) + # Divide by conversion factor + box_1.maxs /= sigma_conversion_factor + + if structure_1 != None: + structure_selection = structure_0_and_1_FF + else: + structure_selection = structure_0_FF + + + # Syntax which can change based on the functional form + # Infer functional form based on the properties of the structure_0_and_1_FF or structure_0_FF + if detect_forcefield_style: + # Check angles + if len(structure_selection.urey_bradleys) > 0 : + print("Urey bradley terms detected") + data.write("Urey bradley terms detected, will use angle_style charmm") + data.write("Error GOMC does no support the Urey bradley terms") + use_urey_bradleys = True + else: + print("No urey bradley terms detected, will use angle_style harmonic") + use_urey_bradleys = False + + # Check dihedrals + if len(structure_selection.rb_torsions) > 0: + print("will use CHARMM_torsions = K0 + K1 * (1 + Cos[n1*(t) - (d1)] ) + "+ + "K2 * (1 + Cos[n2*(t) - (d2)] ) + K3 * (1 + Cos[n3*(t) - (d3)] ) + " + + "K4 * (1 + Cos[n4*(t) - (d4)] ) + K5 * (1 + Cos[n5*(t) - (d5)] ) ") + use_rb_torsions = True + + + else: + use_rb_torsions = False + if len(structure_selection.dihedrals) > 0: + print("Charmm dihedrals detected, will use dihedral_style charmm") + # this will need tested with a standard charmm input format before releasing it + use_dihedrals = True + print("Charmm dihedrals not yet supported ") + warn("Charmm dihedrals not yet supported ") + return None + else: + use_dihedrals = False + if use_rb_torsions and use_dihedrals: + raise ValueError("Multiple dihedral styles detected, check your " + "Forcefield XML and structure_selection") + + # Check impropers + for dihedral in structure_selection.dihedrals: + if dihedral.improper: + raise ValueError("Amber-style impropers are currently not supported") + + bonds = [[bond.atom1.idx+1, bond.atom2.idx+1] for bond in structure_selection.bonds] + angles = [[angle.atom1.idx+1, + angle.atom2.idx+1, + angle.atom3.idx+1] for angle in structure_selection.angles] + if use_rb_torsions: + dihedrals = [[dihedral.atom1.idx+1, + dihedral.atom2.idx+1, + dihedral.atom3.idx+1, + dihedral.atom4.idx+1] for dihedral in structure_selection.rb_torsions] + elif use_dihedrals: + dihedrals = [[dihedral.atom1.idx+1, + dihedral.atom2.idx+1, + dihedral.atom3.idx+1, + dihedral.atom4.idx+1] for dihedral in structure_selection.dihedrals] + else: + dihedrals = [] + impropers = [[improper.atom1.idx+1, + improper.atom2.idx+1, + improper.atom3.idx+1, + improper.atom4.idx+1] for improper in structure_selection.impropers] + + + if bonds : + if len(structure_selection.bond_types) == 0: + bond_types = np.ones(len(bonds),dtype=int) + else: + bond_types, unique_bond_types = _get_bond_types(structure_selection, + bonds, sigma_conversion_factor, + epsilon_conversion_factor) + + + if angles: + angle_types, unique_angle_types = _get_angle_types( + structure_selection, + sigma_conversion_factor, + epsilon_conversion_factor, + use_urey_bradleys=use_urey_bradleys + ) + + if dihedrals: + dihedral_types, unique_dihedral_types = _get_dihedral_types( + structure_selection, use_rb_torsions, use_dihedrals, + epsilon_conversion_factor) + + + + if impropers: + improper_types, unique_improper_types = _get_impropers(structure_selection, + epsilon_conversion_factor) + + if FF_filename is None: + print('GOMC FF is not printing, as the FF_filename variable was not supplied a string for its name') + + else: + print("******************************") + print("") + print('writing the GOMC force field file ') + with open(FF_filename, 'w') as data: + if structure_1 != None: + data.write("* "+filename_0+' and '+ filename_1+ + ' - created by mBuild using the on ' + str(date_time) +'\n') # + else: + data.write("* " + filename_0 + ' - created by mBuild using the on ' + str(date_time) + '\n') + if forcefield_files != None: + data.write("* " + 'parameters from the ' + str(forcefield_files) + ' force field(s) via MoSDef\n') + elif forcefield_names != None: + data.write("* " + 'parameters from the '+str(forcefield_names)+' force field(s) via MoSDef\n') + data.write("* 1-4 coulombic scaling = " + str(combined_1_4_Coul_dict_per_residue)+ + ', and 1-4 LJ scaling = ' + str(combined_1_4_LJ_dict_per_residue)+'\n\n') + data.write("* "+'{:d} atoms\n'.format(len(structure_selection.atoms))) + + if atom_style in ['full', 'molecular']: + data.write("* "+'{:d} bonds\n'.format(len(bonds))) + data.write("* "+'{:d} angles\n'.format(len(angles))) + data.write("* "+'{:d} dihedrals\n'.format(len(dihedrals))) + data.write("* "+'{:d} impropers\n\n'.format(len(impropers))) + + data.write("* "+'{:d} atom types\n'.format(len(set(types)))) + if atom_style in ['full', 'molecular']: + if bonds: + data.write("* "+'{:d} bond types\n'.format(len(set(unique_bond_types)))) + if angles: + data.write("* "+'{:d} angle types\n'.format(len(set(unique_angle_types)))) + if dihedrals: + data.write("* "+'{:d} dihedral types\n'.format(len(set(unique_dihedral_types)))) + if impropers: + data.write("* "+'{:d} improper types\n'.format(len(set(unique_improper_types)))) + + + data.write('\n') + + + data.write('\n* Masses\n\n') + data.write('! atom_types \tmass \t\t atomTypeForceFieldName_ResidueName ' + +'(i.e., atoms_type_per_utilized_FF) \n') + for atom_type,mass in mass_dict.items(): + mass_format = '* {}\t\t{:.6f}\t! {}\n' + data.write(mass_format.format(base10_to_base52_alph_num(atom_type-sub_1_for_base_52), + mass, unique_types[atom_type - 1])) + + + # Bond coefficients + if bonds: + data.write('\n') + data.write('BONDS * harmonic\n') + data.write('!\n') + data.write('!V(bond) = Kb(b - b0)**2\n') + data.write('!\n') + data.write('!Kb: kcal/mole/A**2\n') + data.write('!b0: A\n') + data.write('!Kb (kcal/mol) = Kb (K) * Boltz. const.; (9999999999 if no stretching)\n') + data.write('!\n') + + + + if unit_style == 'real': + data.write('!atom_types \t Kb\tb0 \t\t atoms_types_per_utilized_FF\n') + elif unit_style == 'lj': + data.write('ERROR invalid option') + for params,idx in unique_bond_types.items(): + bond_format = '{}\t{}\t{}\t{}\t\t! {}\t{}\n' + if (fix_res_bonds_angles != None) and ((params[3] and params[4]) in fix_res_bonds_angles ): + fix_bond_K_value = '999999999999' + data.write( bond_format.format(base10_to_base52_alph_num(atom_types_to_index_value_dict[params[2][0]+'_' + str(params[3])]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[2][1]+'_' + str(params[4])]), + fix_bond_K_value, params[1], + params[2][0]+'_' + str(params[3]), + params[2][1]+'_' + str(params[4]))) + + else: + data.write( bond_format.format(base10_to_base52_alph_num(atom_types_to_index_value_dict[params[2][0] +'_' + str(params[3])]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[2][1]+'_' + str(params[4])]), + params[0],params[1], + params[2][0]+'_' + str(params[3]), + params[2][1]+'_' + str(params[4]))) + + + # Angle coefficients + if angles: + if use_urey_bradleys: + data.write('\n! Error: Urey Bradley terms detected but not written,'+ + 'since they are currently not compatible with GOMC\n') + + data.write('\nANGLES * harmonic\n') + data.write('!\n') + data.write('!V(angle) = Ktheta(Theta - Theta0)**2\n') + data.write('!\n') + data.write('!Ktheta: kcal/mole/rad**2\n') + data.write('!Theta0: degrees\n') + data.write('!\n') + data.write('! Ktheta (kcal/mol) = Ktheta (K) * Boltz. const.\t\t\n') + data.write('!\n') + data.write('!atom_types \t\tKtheta\tTheta0\t\t\t atoms_types_per_utilized_FF\n') + for params,idx in unique_angle_types.items(): + + if (fix_res_bonds_angles != None) and ((params[4] and params[5] and params[6]) + in fix_res_bonds_angles ): + fix_angle_K_value = '999999999999' + angle_format = '{}\t{}\t{}\t{}\t{:.5f}\t\t! {}\t{}\t{}\n' + data.write(angle_format.format(base10_to_base52_alph_num(atom_types_to_index_value_dict[params[3][0]+'_'+params[4]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[2]+'_'+params[5]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[3][1]+'_'+params[6]]), + fix_angle_K_value ,params[1], + params[3][0]+'_'+params[4], + params[2]+'_'+params[5], + params[3][1]+'_'+params[6])) + + else: + data.write( + '{}\t{}\t{}\t{}\t{:.5f}\t\t! {}\t{}\t{}\n'.format(base10_to_base52_alph_num(atom_types_to_index_value_dict[params[3][0]+'_'+params[4]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[2]+'_'+params[5]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[3][1]+'_'+params[6]]), + params[0], params[1], + params[3][0]+'_'+params[4], + params[2]+'_'+params[5], + params[3][1]+'_'+params[6])) + + + # Dihedral coefficients + if dihedrals: + if use_rb_torsions: + List_if_large_error_dihedral_overall = [] + + List_if_largest_error_abs_Values_for_dihedral_overall = [] + List_dihedral_overall_error = [] + + + List_if_abs_max_Values_for_dihedral_overall = [] + List_Dihedral_atoms_all_dihedral_overall = [] + + data.write('\nDIHEDRALS * CHARMM\n') + data.write('!\n') + data.write('!V(dihedral) = Kchi(1 + cos(n(chi) - delta))\n') + data.write('!\n') + data.write('!Kchi: kcal/mole\n') + data.write('!n: multiplicity\n') + data.write('!delta: degrees\n') + data.write('!\n') + data.write('! Kchi (kcal/mol) = Kchi (K) * Boltz. const.\n') + data.write('! Boltzmann = 0.0019872041 kcal / (mol * K)\n') + data.write('!\n') + if unit_style == 'real': + data.write('!atom_types \t\t\tKchi\t\tn\tdelta\t\t atoms_types_per_utilized_FF\n') + + elif unit_style == 'lj': + data.write('ERROR invalid option') + + for params,idx in unique_dihedral_types.items(): + CHARMM_coeffs = RB_to_CHARMM(params[0], + params[1], + params[2], + params[3], + params[4], + params[5]) + + # check the error between the convertions of RB_tortions to CHARMM DIHEDRALS (start) + RB_to_CHARMM_Abs_diff = [] + Pi = np.pi + Dihedral_steps =2*10**(-3) + Dihedral_range = 4*Pi + Dihedral_No_Steps = int(Dihedral_range/Dihedral_steps)+1 + + + for i in range(0, Dihedral_No_Steps+1): + t=i*Dihedral_steps + + RB_dihedral_calc = params[0] \ + + params[1] * (np.cos(t - Pi))** 1 \ + + params[2] * (np.cos(t - Pi)) ** 2 \ + + params[3] * (np.cos( t - Pi)) ** 3 \ + + params[4] * (np.cos( t - Pi)) ** 4 \ + + params[5] * (np.cos(t - Pi)) ** 5 + """CHARMM_torsions + = K0 * (1 + Cos[n0 * (t) - (d0)]) + K1 * (1 + Cos[n1 * (t) - (d1)]) + K2 * ( + # 1 + Cos[n2 * (t) - (d2)]) + + K3 * (1 + Cos[n3 * (t) - (d3)]) + K4 * (1 + Cos[n4 * (t) - (d4)]) + K5 * ( + # 1 + Cos[n5 * (t) - (d5)]) + + = K0 + K1 * (1 + Cos[n1 * (t) - (d1)]) + K2 * (1 + Cos[n2 * (t) - (d2)]) + + K3 * (1 + Cos[n3 * (t) - (d3)]) + K4 * (1 + Cos[n4 * (t) - (d4)]) + K5 * ( + # 1 + Cos[n5 * (t) - (d5)]). """ + + RB_to_CHARMM_calc = CHARMM_coeffs[0, 0] * (1 + np.cos(int(CHARMM_coeffs[0, 1]) * (t) + - CHARMM_coeffs[0, 2]*Pi/180) )\ + + CHARMM_coeffs[1, 0] * (1 + np.cos(int(CHARMM_coeffs[1, 1]) * (t) + - CHARMM_coeffs[1, 2]*Pi/180) ) \ + + CHARMM_coeffs[2, 0] * (1 + np.cos(int(CHARMM_coeffs[2, 1]) * (t) + - CHARMM_coeffs[2, 2]*Pi/180) ) \ + + CHARMM_coeffs[3, 0] * (1 + np.cos(int(CHARMM_coeffs[3, 1]) * (t) + - CHARMM_coeffs[3, 2]*Pi/180) ) \ + + CHARMM_coeffs[4, 0] * (1 + np.cos(int(CHARMM_coeffs[4, 1]) * (t) + - CHARMM_coeffs[4, 2]*Pi/180) ) \ + + CHARMM_coeffs[5, 0] * (1 + np.cos(int(CHARMM_coeffs[5, 1]) * (t) + - CHARMM_coeffs[5, 2]*Pi/180) ) + + + RB_to_CHARMM_absolute_difference = np.absolute(RB_dihedral_calc-RB_to_CHARMM_calc) + RB_to_CHARMM_Abs_diff.append(RB_to_CHARMM_absolute_difference) + + + List_if_large_error_dihedral_iteration=[] + List_abs_max_dihedral_iteration = [] + + + + if max(RB_to_CHARMM_Abs_diff) > 10**(-10): + List_if_large_error_dihedral_iteration.append(1) + List_abs_max_dihedral_iteration.append(max(RB_to_CHARMM_Abs_diff)) + + List_if_large_error_dihedral_overall.append(1) + List_if_largest_error_abs_Values_for_dihedral_overall.append(max(RB_to_CHARMM_Abs_diff)) + List_dihedral_overall_error.append(str(params[8])+', '+str(params[9])+', ' + +str(params[10])+', '+str(params[11])) + + + + else: + List_if_large_error_dihedral_iteration.append(0) + + List_if_abs_max_Values_for_dihedral_overall.append(max(RB_to_CHARMM_Abs_diff)) + List_Dihedral_atoms_all_dihedral_overall.append( + str(params[8]) + ', ' + str(params[9]) + ', ' + str(params[10]) + ', ' + str( + params[11])) + + # ************************************** + # check the error between the convertions of RB_tortions to CHARMM DIHEDRALS (end) + # ************************************** + dihedral_format = '{}\t{}\t{}\t{}\t{:.6f}\t{}\t{}\t\t! {}\t{}\t{}\t{}\n' + data.write(dihedral_format.format(base10_to_base52_alph_num(atom_types_to_index_value_dict[ params[8]+ '_' + params[12]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[9]+ '_' + params[13]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[10]+ '_' + params[14]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[11]+ '_' + params[15]]), + CHARMM_coeffs[0,0], + int(CHARMM_coeffs[0,1]), + CHARMM_coeffs[0,2], + params[8]+ '_' + params[12], + params[9]+ '_' + params[13], + params[10]+ '_' + params[14], + params[11]+ '_' + params[15])) + data.write(dihedral_format.format(base10_to_base52_alph_num(atom_types_to_index_value_dict[params[8]+ '_' + params[12]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[9]+ '_' + params[13]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[10]+ '_' + params[14]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[11]+ '_' + params[15]]), + CHARMM_coeffs[1, 0], + int(CHARMM_coeffs[1, 1]), + CHARMM_coeffs[1, 2], + params[8]+ '_' + params[12], + params[9]+ '_' + params[13], + params[10]+ '_' + params[14], + params[11]+ '_' + params[15])) + data.write(dihedral_format.format(base10_to_base52_alph_num(atom_types_to_index_value_dict[params[8]+ '_' + params[12]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[9]+ '_' + params[13]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[10]+ '_' + params[14]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[11]+ '_' + params[15]]), + CHARMM_coeffs[2, 0], + int(CHARMM_coeffs[2, 1]), + CHARMM_coeffs[2, 2], + params[8]+ '_' + params[12], + params[9]+ '_' + params[13], + params[10]+ '_' + params[14], + params[11]+ '_' + params[15])) + data.write(dihedral_format.format(base10_to_base52_alph_num(atom_types_to_index_value_dict[params[8]+ '_' + params[12]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[9]+ '_' + params[13]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[10]+ '_' + params[14]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[11]+ '_' + params[15]]), + CHARMM_coeffs[3, 0], + int(CHARMM_coeffs[3, 1]), + CHARMM_coeffs[3, 2], + params[8]+ '_' + params[12], + params[9]+ '_' + params[13], + params[10]+ '_' + params[14], + params[11]+ '_' + params[15])) + data.write(dihedral_format.format(base10_to_base52_alph_num(atom_types_to_index_value_dict[params[8]+ '_' + params[12]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[9]+ '_' + params[13]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[10]+ '_' + params[14]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[11]+ '_' + params[15]]), + CHARMM_coeffs[4, 0], + int(CHARMM_coeffs[4, 1]), + CHARMM_coeffs[4, 2], + params[8]+ '_' + params[12], + params[9]+ '_' + params[13], + params[10]+ '_' + params[14], + params[11]+ '_' + params[15])) + data.write(dihedral_format.format(base10_to_base52_alph_num(atom_types_to_index_value_dict[params[8]+ '_' + params[12]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[9]+ '_' + params[13]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[10]+ '_' + params[14]]), + base10_to_base52_alph_num(atom_types_to_index_value_dict[params[11]+ '_' + params[15]]), + CHARMM_coeffs[5, 0], + int(CHARMM_coeffs[5, 1]), + CHARMM_coeffs[5, 2], + params[8]+ '_' + params[12], + params[9]+ '_' + params[13], + params[10]+ '_' + params[14], + params[11]+ '_' + params[15])) + + + if sum(List_if_large_error_dihedral_overall) > 0 : + List_if_largest_error_abs_Values_for_dihedral_overall_max = \ + max(List_if_largest_error_abs_Values_for_dihedral_overall) + info_if_dihedral_error_too_large = '! WARNING: RB-torsion to CHARMM dihedral conversion error'\ + +' is to large [error > 10^(-10)] \n' + \ + '! WARNING: Maximum( '\ + +'|(RB-torsion calc)-(CHARMM dihedral calc)| ) = ' \ + + str(List_if_largest_error_abs_Values_for_dihedral_overall_max) \ + +'\n' + data.write(info_if_dihedral_error_too_large) + print(info_if_dihedral_error_too_large) + else: + List_if_abs_max_Values_for_dihedral_overall_max = \ + max(List_if_abs_max_Values_for_dihedral_overall) + info_if_dihedral_error_OK = '! RB-torsion to CHARMM dihedral conversion error is OK '\ + +'[error <= 10^(-10)]\n' + \ + '! Maximum( |(RB-torsion calc)-(CHARMM dihedral calc)| ) = ' \ + + str(List_if_abs_max_Values_for_dihedral_overall_max) + '\n' + data.write(info_if_dihedral_error_OK) + print(info_if_dihedral_error_OK) + + + + + elif use_dihedrals: + data.write("Error not set up to use to use_dihedrals form for data input from the xml file") + + + # Improper coefficients + if impropers: + + data.write("Error GOMC is not currently able to use improper in its calculations") + + + # Non-Bonded forces + epsilons = np.array([atom.epsilon for atom in structure_selection.atoms]) / epsilon_conversion_factor + sigmas = np.array([atom.sigma for atom in structure_selection.atoms]) / sigma_conversion_factor + forcefields = [atom.type+'_'+atom.residue.name for atom in structure_selection.atoms] + Residues = [atom.residue.name for atom in structure_selection.atoms] + epsilon_dict = dict([(unique_types.index(atom_type),epsilon) + for atom_type,epsilon in zip(types,epsilons)]) + sigma_dict = dict([(unique_types.index(atom_type),sigma) for atom_type,sigma in zip(types,sigmas)]) + LJ_1_4_dict = dict([(unique_types.index(atom_type) , combined_1_4_LJ_dict_per_residue[Residues]) + for atom_type, Residues in zip(types, Residues)]) + forcefield_dict = dict([(unique_types.index(atom_type) , forcefield) + for atom_type, forcefield in zip(types, forcefields)]) + + # ensure all 1,4-coulombic scaling factors are the same + coul_1_4_dict = dict( + [(unique_types.index(atom_type) + 1, combined_1_4_Coul_dict_per_residue[Residues]) for + atom_type, Residues in zip(types, Residues)]) + coul_1_4_List =[] + for p in coul_1_4_dict.values(): + coul_1_4_List.append(p) + for c in range(0, len(coul_1_4_List)): + if coul_1_4_List[c] != coul_1_4_List[0]: + warn("ERROR: There are multiple 1,4-coulombic scaling factors.'+ " + "' GOMC will only accept a singular input for the 1,4-coulombic scaling factors") + return None + + + # Pair coefficients + print('NBFIX_Mixing not used or no mixing used for the non-bonded potentials out') + + if non_bonded_type=='LJ': + data.write('\n') + data.write('NONBONDED\n') + data.write('!\n') + data.write('!V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6]\n') + data.write('!\n') + + if unit_style == 'real': + data.write('!atype \tignored\tepsilon \tRmin/2 \t\tignored\teps,1-4\t\tRmin/2,1-4\t\t'+ + ' atom_type_per_utilized_FF\n') + + print('forcefield_dict = '+str(forcefield_dict)) + + for idx, epsilon in epsilon_dict.items(): + NB_format = '{}\t{:.2f}\t{:.9f}\t{:.11f}\t{:.2f}\t{:.9f}\t{:.11f}\t\t! {}\t{}\n' + data.write(NB_format.format(base10_to_base52_alph_num(idx), 0, -epsilon, + sigma_dict[idx] * (2 ** (1 / 6)) / 2, 0, + float(LJ_1_4_dict[idx])* (-epsilon), + float(LJ_1_4_dict[idx])* sigma_dict[idx] * (2 ** (1 / 6)) / 2, + forcefield_dict[idx],forcefield_dict[idx])) + + + + elif non_bonded_type=='Mie': + data.write("Error: Currenly the Mie potential is not supported in this MoSDeF GOMC parameter writer") + else: + data.write("Error: Currenly this potential is not supported in this MoSDeF GOMC parameter writer") + + + + + + + + # ********************************** + #********************************** + # FF writer (end) + # ********************************** + # ********************************** + + + + + + + + + # ********************************** + #********************************** + # psf writer (start) + # ********************************** + # ********************************** + + + print("******************************") + print("") + print('write_charmm_psf file is running') + + date_time = datetime.datetime.today() + + if forcefield_files != None: + print('write_charmm_psf: forcefield_files = ' + str(forcefield_files) + ', ' + 'residues = ' + str(residues)) + elif forcefield_names != None: + print('write_charmm_psf: forcefield_names = ' + str(forcefield_names) + ', ' + 'residues = ' + str(residues)) + + + print("******************************") + print("") + + + if structure_1 !=None: + list_of_structures = [structure_0_FF, structure_1_FF] + list_of_file_names = [filename_0, filename_1] + stuct_only = [structure_0_FF, structure_1_FF] + else: + list_of_structures = [structure_0_FF] + list_of_file_names = [filename_0] + stuct_only = [structure_0_FF] + + for q in range(0, len(list_of_structures)): + stuct_iteration = list_of_structures[q] + file_name_iteration = list_of_file_names[q] + output = str(file_name_iteration)+'.psf' + stuct_only_iteration =stuct_only[q] + # Lammps syntax depends on the functional form + # Infer functional form based on the properties of the stuct_iteration + if detect_forcefield_style: + # Check for angles + if len(stuct_iteration.urey_bradleys) > 0: + print("Warning: Urey bradley terms detected. GOMC does no support the Urey-Bradley terms") + raise ValueError("Warning: Urey bradley terms detected. GOMC does no support the Urey-Bradley terms") + use_urey_bradleys = True + else: + print("No urey bradley terms detected") + use_urey_bradleys = False + + # Check for dihedrals + if len(stuct_iteration.rb_torsions) > 0: + print("RB Torsions detected, will converted to CHARMM Dihedrals") + use_rb_torsions = True + Dihedrals_list = stuct_iteration.rb_torsions + dihedrals = [[dihedral.atom1.idx + 1, + dihedral.atom2.idx + 1, + dihedral.atom3.idx + 1, + dihedral.atom4.idx + 1] for dihedral in stuct_iteration.rb_torsions] + else: + use_rb_torsions = False + + if len(stuct_iteration.dihedrals) > 0: + print("Charmm dihedrals detected, so CHARMM Dihedrals will remain") + use_dihedrals = True + Dihedrals_list = stuct_iteration.dihedrals + dihedrals = [[dihedral.atom1.idx + 1, + dihedral.atom2.idx + 1, + dihedral.atom3.idx + 1, + dihedral.atom4.idx + 1] for dihedral in stuct_iteration.dihedrals] + else: + use_dihedrals = False + if (use_rb_torsions == False) and (use_dihedrals == False): + Dihedrals_list = [] + dihedrals = [] + if use_rb_torsions and use_dihedrals: + raise ValueError("Multiple dihedral styles detected, check your " + "Forcefield XML and structure files") + + # Check for impropers + for dihedral in stuct_iteration.dihedrals: + if dihedral.improper: + raise ValueError("Error: Amber-style impropers are currently not supported in GOMC") + + impropers = [[improper.atom1.idx + 1, + improper.atom2.idx + 1, + improper.atom3.idx + 1, + improper.atom4.idx + 1] for improper in stuct_iteration.impropers] + + No_atoms = len(stuct_iteration.atoms) + No_bonds = len(stuct_iteration.bonds) + No_angles = len(stuct_iteration.angles) + + No_dihedrals = len(dihedrals) + No_impropers = len(impropers) + + No_donors = len(stuct_iteration.donors) + No_acceptors = len(stuct_iteration.acceptors) + No_groups = len(stuct_iteration.groups) + + + # psf printing (start) + + residue_data_list = [] + residue_names_list = [] + for k, atom in enumerate(stuct_only_iteration.atoms): + residue_data_list.append(str(atom.residue)) + residue_names_list.append(atom.residue.name) + + unique_residue_data_dict = {} + unique_residue_data_list = [] + residue_data_name_list = [] + + for m, residue in enumerate(stuct_only_iteration.residues): + unique_residue_data_list.append(str(stuct_only_iteration.residues[m])) + unique_residue_data_dict.update({unique_residue_data_list[m]: m + 1}) + residue_data_name_list.append(stuct_only_iteration.residues[m].name) + + + Max_Residue_No = 9999 + No_last_values_res_name = 3 + + Res_No_iteration_corrected_List = [] + residue_ID_list = [] + for f, PSF_atom_iteration_0 in enumerate(stuct_only_iteration.atoms): + + residue_ID_int = int(unique_residue_data_dict[residue_data_list[f]]) + Res_ID_adder = int((residue_ID_int % Max_Residue_No) % (Max_Residue_No)) + if int(Res_ID_adder) == 0: + Res_No_iteration_corrected = int(Max_Residue_No) + else: + Res_No_iteration_corrected = Res_ID_adder + + Res_No_iteration_corrected_List.append(Res_No_iteration_corrected) + residue_ID_list.append(residue_ID_int) + + + output_write = genopen(output, 'w') + + first_indent = '%8s' + PSF_formating = ('%8s %-4s %-4s %-4s %-4s %4s %10.6f %13.4f' + 11 * ' ') + + output_write.write('PSF ') + output_write.write('\n\n') + + No_of_remarks = 3 + output_write.write(first_indent % No_of_remarks + ' !NTITLE\n') + output_write.write(' REMARKS this file ' + file_name_iteration + ' - created by mBuild/foyer using the' + '\n') + if forcefield_files != None: + output_write.write(' REMARKS parameters from the ' + str(forcefield_files) + ' force field via MoSDef\n') + elif forcefield_names != None: + output_write.write(' REMARKS parameters from the ' + str(forcefield_names) + ' force field via MoSDef\n') + output_write.write(' REMARKS created on ' + str(date_time) + '\n\n\n') + + # This converts the atom name in the GOMC psf and pdb files to unique atom names + unique_Individual_atom_names_dict, \ + Individual_atom_names_List, \ + Missing_Bead_to_atom_name =unique_atom_naming(stuct_only_iteration , residue_ID_list, residue_names_list, + Bead_to_atom_name_dict=Bead_to_atom_name_dict) + if None in [unique_Individual_atom_names_dict, Individual_atom_names_List, Missing_Bead_to_atom_name]: + warn('ERROR : The unique_atom_naming function failed while running the charmm_writer function.') + return None + + # ATOMS: Calculate the atom data + # PSF_formating is conducted for the for CHARMM format (i.e., atom types are base 52, letters only) + output_write.write(first_indent % No_atoms + ' !NATOM\n') + for i_atom, PSF_atom_iteration_1 in enumerate(stuct_iteration.atoms): + Segment_ID = PSF_atom_iteration_1.residue.segid or 'SYS' + atom_type_iter = base10_to_base52_alph_num(atom_types_to_index_value_dict[PSF_atom_iteration_1.type + '_' + + PSF_atom_iteration_1.residue.name]) + + atom_lines_iteration = PSF_formating % (i_atom + 1, Segment_ID, Res_No_iteration_corrected_List[i_atom], + str(residue_names_list[i_atom])[:No_last_values_res_name], + Individual_atom_names_List[i_atom], atom_type_iter, + PSF_atom_iteration_1.charge, PSF_atom_iteration_1.mass) + + output_write.write('%s\n' % atom_lines_iteration) + + output_write.write('\n') + + # BONDS: Calculate the bonding data + output_write.write(first_indent % No_bonds + ' !NBOND: bonds\n') + for i_bond, PSF_bond_iteration_1 in enumerate(stuct_iteration.bonds): + output_write.write((first_indent * 2) % (PSF_bond_iteration_1.atom1.idx + 1, + PSF_bond_iteration_1.atom2.idx + 1)) + + if (i_bond + 1) % 4 == 0: + output_write.write('\n') + + if No_bonds % 4 == 0: + output_write.write('\n') + else: + output_write.write('\n\n') + + if No_bonds == 0: + output_write.write('\n') + + # ANGLES: Calculate the angle data + output_write.write(first_indent % No_angles + ' !NTHETA: angles\n') + for i_angle, angle_iteration in enumerate(stuct_iteration.angles): + + output_write.write((first_indent * 3) % (angle_iteration.atom1.idx + 1, angle_iteration.atom2.idx + 1, + angle_iteration.atom3.idx + 1) ) + + if (i_angle + 1) % 3 == 0: + output_write.write('\n') + + if No_angles % 3 == 0: + output_write.write('\n') + else: + output_write.write('\n\n') + + if No_angles == 0: + output_write.write('\n') + + # DIHEDRALS: Calculate the dihedral data + output_write.write(first_indent % No_dihedrals + ' !NPHI: dihedrals\n') + for i_dihedral, dihedral_iter in enumerate(Dihedrals_list): + dihedral_atom_1, dihedral_atom_2, dihedral_atom_3, dihedral_atom_4 = dihedral_iter.atom1, \ + dihedral_iter.atom2, \ + dihedral_iter.atom3, \ + dihedral_iter.atom4 + + output_write.write((first_indent * 4) % (dihedral_atom_1.idx + 1, dihedral_atom_2.idx + 1, + dihedral_atom_3.idx+ 1, dihedral_atom_4.idx + 1)) + + if (i_dihedral +1) % 2 == 0: + output_write.write('\n') + + if No_dihedrals % 2 == 0: + output_write.write('\n') + else: + output_write.write('\n\n') + + if No_dihedrals == 0: + output_write.write('\n') + + # IMPROPERS: Calculate the improper data + output_write.write(first_indent % No_impropers + ' !NIMPHI: impropers\n') + for i_improper, (atom_1, atom_2, atom_3, atom_4) in enumerate(generate_impropers_for_PSF(stuct_iteration, + Dihedrals_list )): + + output_write.write((first_indent * 4) % (atom_1.idx + 1, atom_2.idx + 1, atom_3.idx + 1, atom_4.idx + 1)) + if (i_improper +1) % 2 == 0: + output_write.write('\n') + + if No_impropers % 2 == 0: + output_write.write('\n') + else: + output_write.write('\n\n') + + if No_impropers == 0: + output_write.write('\n') + + # DONOR: calculate the donor data + output_write.write(first_indent % No_donors + ' !NDON: donors\n') + for donor_i, donor_iter in enumerate(stuct_iteration.donors): + + output_write.write((first_indent * 2) % (donor_iter.atom1.idx + 1, donor_iter.atom2.idx + 1)) + if (donor_i + 1) % 4 == 0: + output_write.write('\n') + + if No_donors % 4 == 0: + output_write.write('\n') + else: + output_write.write('\n\n') + + if No_donors == 0: + output_write.write('\n') + + # ACCEPTOR: calculate the acceptor data + output_write.write(first_indent % No_acceptors + ' !NACC: acceptors\n') + for acceptor_i, acceptor_iter in enumerate(stuct_iteration.acceptors): + + output_write.write((first_indent * 2) % (acceptor_iter.atom1.idx + 1, acceptor_iter.atom2.idx + 1)) + if (acceptor_i + 1) % 4 == 0: + output_write.write('\n') + + if No_acceptors % 4 == 0: + output_write.write('\n') + else: + output_write.write('\n\n') + + if No_acceptors == 0: + output_write.write('\n') + + # NNB: calculate the NNB data + output_write.write(first_indent % 0 + ' !NNB\n\n') + for nbb_i, atoms_iter in enumerate(stuct_iteration.atoms): + + output_write.write(first_indent % 0) + if (nbb_i + 1) % 8 == 0: + output_write.write('\n') + + if No_atoms % 8 == 0: + output_write.write('\n') + else: + output_write.write('\n\n') + + if No_atoms == 0: + output_write.write('\n') + + # GROUP: calculate the group data + try: + group_data = stuct_iteration.groups.nst2 + except AttributeError: + group_data = 0 + output_write.write((first_indent * 2) % (No_groups or 1, group_data) + ' !NGRP \n') + if stuct_iteration.groups == True: + for group_i, group_iter in enumerate(stuct_iteration.groups): + + output_write.write((first_indent * 3) % (group_iter.atom.idx, group_iter.type, group_iter.move)) + if (group_i + 1) % 3 == 0: + output_write.write('\n') + + if No_groups % 3 == 0: + output_write.write('\n') + else: + output_write.write('\n\n') + + if No_groups == 0: + output_write.write('\n') + + else: + structure_abs_charge_value = abs(sum(atom_charge_iter.charge for atom_charge_iter in stuct_iteration.atoms)) + if structure_abs_charge_value < 1.0e-4: + group_type = 1 + else: + group_type = 2 + output_write.write((first_indent * 3) % (0, group_type, 0)) + output_write.write('\n') + + output_write.write('\n') + output_write.close() + # ********************************** + # ********************************** + # psf writer (end) + # ********************************** + # ********************************** + + + + + + + + # ********************************** + # ********************************** + # pdb writer (start) + # ********************************** + # ********************************** + + print("******************************") + print("") + print('write_charmm_pdb file is running') + print('write_charmm_pdb: residues == ' + str(residues)) + print('fix_residue = ' + str(fix_residue)) + print('fix_residue_in_box = ' + str(fix_residue_in_box)) + print('Bead_to_atom_name_dict = ' + str(Bead_to_atom_name_dict)) + + if fix_residue is None and fix_residue_in_box is None: + print('INFORMATION: No atoms are fixed in this pdb file for the GOMC simulation engine. ') + else: + warn('Some atoms are fixed in this pdb file for the GOMC simulation engine. ') + + print("******************************") + print("") + + if structure_1 !=None: + list_of_structures = [structure_0_FF, structure_1_FF] + list_of_file_names = [filename_0, filename_1] + stuct_only = [structure_0_FF, structure_1_FF] + else: + list_of_structures = [structure_0_FF] + list_of_file_names = [filename_0] + stuct_only = [structure_0_FF] + + for q in range(0, len(list_of_structures)): + file_name_iteration = list_of_file_names[q] + output = str(file_name_iteration)+'.pdb' + stuct_only_iteration =stuct_only[q] + + output_write = genopen(output, 'w') + + unique_residue_data_dict = {} + unique_residue_data_list = [] + residue_data_name_list = [] + for m, residue in enumerate( stuct_only_iteration.residues): + unique_residue_data_list.append(str( stuct_only_iteration.residues[m])) + unique_residue_data_dict.update({ unique_residue_data_list[m]: m+1}) + residue_data_name_list.append( stuct_only_iteration.residues[m].name) + + for n in range(0, len(residue_data_name_list)): + if residue_data_name_list[n] not in residues: + warn('Error: Please specifiy all residues (residues) in a list') + return None + + residue_data_list = [] + for k, atom in enumerate( stuct_only_iteration.atoms): + residue_data_list.append(str(atom.residue)) + + if (fix_residue != None) and (fix_residue_in_box != None): + for n in range(0,len(fix_residue)): + if fix_residue[n] in fix_residue_in_box: + warn("ERROR: residue type can not be specified to both fix_residue and fix_residue_in_box") + return None + + residue_names_list =[] + fix_atoms_list = [] + for k, atom in enumerate( stuct_only_iteration.atoms): + residue_names_list.append(atom.residue.name) + if (fix_residue != None) and (atom.residue.name in fix_residue) : + beta_iteration = 1.00 + elif (fix_residue_in_box != None) and (atom.residue.name in fix_residue_in_box): + beta_iteration = 2.00 + else: + beta_iteration = 0.00 + fix_atoms_list.append(beta_iteration) + + if stuct_only_iteration.box is not None: + output_write.write('CRYST1%9.3f%9.3f%9.3f%7.2f%7.2f%7.2f %-11s%4s\n' % (stuct_only_iteration.box[0], + stuct_only_iteration.box[1], + stuct_only_iteration.box[2], + stuct_only_iteration.box[3], + stuct_only_iteration.box[4], + stuct_only_iteration.box[5], + stuct_only_iteration.space_group, + '' + )) + + All_atom_coordinates = stuct_only_iteration.get_coordinates('all') + if All_atom_coordinates is None: + warn("ERROR: the submitted structure has no PDB coordintes, so the PDB writer has terminated. ") + return None + + PDB_atom_line_format = ('ATOM %5s %-4s%1s%-4s%1s%4d%1s %8.3f%8.3f%8.3f%6.2f%6.2f %-4s%2s%-2s\n') + + atom_alternate_location_List = [] + residue_chain_List = [] + residue_code_insertion_List = [] + x_List = [] + y_List = [] + z_List = [] + atom_occupancy_List = [] + atom_bfactor_List = [] + Element_List = [] + + # lock occupany factor at 1 (instead of: atom.occupancy) + locked_occupany_factor = 1.00 + Max_No_atoms_in_base10 = 99999 # 99,999 for atoms in psf/pdb + + Max_Residue_No = 9999 + No_last_values_res_name = 3 + + Res_No_iteration_corrected_List =[] + residue_ID_list = [] + for i, atom_iter in enumerate( stuct_only_iteration.atoms): + + residue_ID_int = int(unique_residue_data_dict[residue_data_list[i]]) + Res_ID_adder = int((residue_ID_int % Max_Residue_No) % (Max_Residue_No)) + if int(Res_ID_adder) == 0: + Res_No_iteration_corrected_List.append(int(Max_Residue_No)) + else: + Res_No_iteration_corrected_List.append(Res_ID_adder) + + residue_ID_list.append(residue_ID_int) + + # This converts the atom name in the CHARMM psf and pdb files to unique atom names + unique_Individual_atom_names_dict, \ + Individual_atom_names_List, \ + Missing_Bead_to_atom_name = unique_atom_naming(stuct_only_iteration, residue_ID_list, residue_names_list, + Bead_to_atom_name_dict=Bead_to_atom_name_dict) + + if None in [unique_Individual_atom_names_dict, Individual_atom_names_List, Missing_Bead_to_atom_name]: + warn('ERROR : The unique_atom_naming function failed while running the charmm_writer function.') + return None + + + for coord_iter, atom_coordinates in enumerate(All_atom_coordinates): + + for PDB_residue_count in stuct_only_iteration.residues: + Segment_ID = '' + atom_iteration = sorted(PDB_residue_count.atoms, key=lambda atom: atom.number) + + for atom_iteration_2 in atom_iteration: + x, y, z = atom_coordinates[atom_iteration_2.idx] + atom_alternate_location_List.append(atom_iteration_2.altloc) + residue_chain_List.append(PDB_residue_count.chain[-1:]) + residue_code_insertion_List.append(PDB_residue_count.insertion_code[:1]) + x_List.append(x) + y_List.append(y) + z_List.append(z) + atom_occupancy_List.append(atom_iteration_2.occupancy) + atom_bfactor_List.append(atom_iteration_2.bfactor) + Element_List.append(Element[atom_iteration_2.atomic_number].upper()) + + for v, atom_iter_1 in enumerate( stuct_only_iteration.atoms): + + if v + 1 > Max_No_atoms_in_base10: + atom_number = base10_to_base16_alph_num(v + 1) + + else: + atom_number = v + 1 + + output_write.write(PDB_atom_line_format % (atom_number, Individual_atom_names_List[v], + atom_alternate_location_List[v], + str(residue_names_list[v])[:No_last_values_res_name], + residue_chain_List[v], Res_No_iteration_corrected_List[v], + residue_code_insertion_List[v], + x_List[v], y_List[v], z_List[v], + locked_occupany_factor, fix_atoms_list[v], + Segment_ID, Element_List[v], '')) + + output_write.write('%-80s\n' % 'END') + + output_write.close() + + # ********************************** + # ********************************** + # pdb writer (end) + # ********************************** + # ********************************** diff --git a/simulations/NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0.pdb b/simulations/NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0.pdb deleted file mode 100644 index 9cf1fd9..0000000 --- a/simulations/NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0.pdb +++ /dev/null @@ -1,29040 +0,0 @@ -REMARK GOMC 1 1 -CRYST1 29.472 29.777 26.750 90.00 90.00 90.00 P 1 1 -ATOM 1 C1 TOP 1 1 15.350 15.597 10.050 0.00 1.00 -ATOM 2 C2 TOP 1 1 15.350 15.597 13.400 0.00 1.00 -ATOM 3 C3 TOP 1 1 15.350 15.597 16.750 0.00 1.00 -ATOM 4 C4 TOP 1 1 14.122 17.724 10.050 0.00 1.00 -ATOM 5 C5 TOP 1 1 14.122 17.724 13.400 0.00 1.00 -ATOM 6 C6 TOP 1 1 14.122 17.724 16.750 0.00 1.00 -ATOM 7 C7 TOP 1 1 12.894 19.851 10.050 0.00 1.00 -ATOM 8 C8 TOP 1 1 12.894 19.851 13.400 0.00 1.00 -ATOM 9 C9 TOP 1 1 12.894 19.851 16.750 0.00 1.00 -ATOM 10 CA TOP 1 1 11.666 21.978 10.050 0.00 1.00 -ATOM 11 CB TOP 1 1 11.666 21.978 13.400 0.00 1.00 -ATOM 12 CC TOP 1 1 11.666 21.978 16.750 0.00 1.00 -ATOM 13 CD TOP 1 1 10.438 24.105 10.050 0.00 1.00 -ATOM 14 CE TOP 1 1 10.438 24.105 13.400 0.00 1.00 -ATOM 15 CF TOP 1 1 10.438 24.105 16.750 0.00 1.00 -ATOM 16 CG TOP 1 1 9.210 26.232 10.050 0.00 1.00 -ATOM 17 CH TOP 1 1 9.210 26.232 13.400 0.00 1.00 -ATOM 18 CI TOP 1 1 9.210 26.232 16.750 0.00 1.00 -ATOM 19 CJ TOP 1 1 7.982 28.359 10.050 0.00 1.00 -ATOM 20 CK TOP 1 1 7.982 28.359 13.400 0.00 1.00 -ATOM 21 CL TOP 1 1 7.982 28.359 16.750 0.00 1.00 -ATOM 22 CM TOP 1 1 6.754 0.709 10.050 0.00 1.00 -ATOM 23 CN TOP 1 1 6.754 0.709 13.400 0.00 1.00 -ATOM 24 CO TOP 1 1 6.754 0.709 16.750 0.00 1.00 -ATOM 25 CP TOP 1 1 5.526 2.836 10.050 0.00 1.00 -ATOM 26 CQ TOP 1 1 5.526 2.836 13.400 0.00 1.00 -ATOM 27 CR TOP 1 1 5.526 2.836 16.750 0.00 1.00 -ATOM 28 CS TOP 1 1 4.298 4.963 10.050 0.00 1.00 -ATOM 29 CT TOP 1 1 4.298 4.963 13.400 0.00 1.00 -ATOM 30 CU TOP 1 1 4.298 4.963 16.750 0.00 1.00 -ATOM 31 CV TOP 1 1 3.070 7.090 10.050 0.00 1.00 -ATOM 32 CW TOP 1 1 3.070 7.090 13.400 0.00 1.00 -ATOM 33 CX TOP 1 1 3.070 7.090 16.750 0.00 1.00 -ATOM 34 CY TOP 1 1 1.842 9.217 10.050 0.00 1.00 -ATOM 35 CZ TOP 1 1 1.842 9.217 13.400 0.00 1.00 -ATOM 36 Ca TOP 1 1 1.842 9.217 16.750 0.00 1.00 -ATOM 37 Cb TOP 1 1 0.614 11.344 10.050 0.00 1.00 -ATOM 38 Cc TOP 1 1 0.614 11.344 13.400 0.00 1.00 -ATOM 39 Cd TOP 1 1 0.614 11.344 16.750 0.00 1.00 -ATOM 40 Ce TOP 1 1 28.858 13.471 10.050 0.00 1.00 -ATOM 41 Cf TOP 1 1 28.858 13.471 13.400 0.00 1.00 -ATOM 42 Cg TOP 1 1 28.858 13.471 16.750 0.00 1.00 -ATOM 43 Ch TOP 1 1 17.806 15.597 10.050 0.00 1.00 -ATOM 44 Ci TOP 1 1 17.806 15.597 13.400 0.00 1.00 -ATOM 45 Cj TOP 1 1 17.806 15.597 16.750 0.00 1.00 -ATOM 46 Ck TOP 1 1 16.578 17.724 10.050 0.00 1.00 -ATOM 47 Cl TOP 1 1 16.578 17.724 13.400 0.00 1.00 -ATOM 48 Cm TOP 1 1 16.578 17.724 16.750 0.00 1.00 -ATOM 49 Cn TOP 1 1 15.350 19.851 10.050 0.00 1.00 -ATOM 50 Co TOP 1 1 15.350 19.851 13.400 0.00 1.00 -ATOM 51 Cp TOP 1 1 15.350 19.851 16.750 0.00 1.00 -ATOM 52 Cq TOP 1 1 14.122 21.978 10.050 0.00 1.00 -ATOM 53 Cr TOP 1 1 14.122 21.978 13.400 0.00 1.00 -ATOM 54 Cs TOP 1 1 14.122 21.978 16.750 0.00 1.00 -ATOM 55 Ct TOP 1 1 12.894 24.105 10.050 0.00 1.00 -ATOM 56 Cu TOP 1 1 12.894 24.105 13.400 0.00 1.00 -ATOM 57 Cv TOP 1 1 12.894 24.105 16.750 0.00 1.00 -ATOM 58 Cw TOP 1 1 11.666 26.232 10.050 0.00 1.00 -ATOM 59 Cx TOP 1 1 11.666 26.232 13.400 0.00 1.00 -ATOM 60 Cy TOP 1 1 11.666 26.232 16.750 0.00 1.00 -ATOM 61 Cz TOP 1 1 10.438 28.359 10.050 0.00 1.00 -ATOM 62 C10 TOP 1 1 10.438 28.359 13.400 0.00 1.00 -ATOM 63 C11 TOP 1 1 10.438 28.359 16.750 0.00 1.00 -ATOM 64 C12 TOP 1 1 9.210 0.709 10.050 0.00 1.00 -ATOM 65 C13 TOP 1 1 9.210 0.709 13.400 0.00 1.00 -ATOM 66 C14 TOP 1 1 9.210 0.709 16.750 0.00 1.00 -ATOM 67 C15 TOP 1 1 7.982 2.836 10.050 0.00 1.00 -ATOM 68 C16 TOP 1 1 7.982 2.836 13.400 0.00 1.00 -ATOM 69 C17 TOP 1 1 7.982 2.836 16.750 0.00 1.00 -ATOM 70 C18 TOP 1 1 6.754 4.963 10.050 0.00 1.00 -ATOM 71 C19 TOP 1 1 6.754 4.963 13.400 0.00 1.00 -ATOM 72 C1A TOP 1 1 6.754 4.963 16.750 0.00 1.00 -ATOM 73 C1B TOP 1 1 5.526 7.090 10.050 0.00 1.00 -ATOM 74 C1C TOP 1 1 5.526 7.090 13.400 0.00 1.00 -ATOM 75 C1D TOP 1 1 5.526 7.090 16.750 0.00 1.00 -ATOM 76 C1E TOP 1 1 4.298 9.217 10.050 0.00 1.00 -ATOM 77 C1F TOP 1 1 4.298 9.217 13.400 0.00 1.00 -ATOM 78 C1G TOP 1 1 4.298 9.217 16.750 0.00 1.00 -ATOM 79 C1H TOP 1 1 3.070 11.344 10.050 0.00 1.00 -ATOM 80 C1I TOP 1 1 3.070 11.344 13.400 0.00 1.00 -ATOM 81 C1J TOP 1 1 3.070 11.344 16.750 0.00 1.00 -ATOM 82 C1K TOP 1 1 1.842 13.471 10.050 0.00 1.00 -ATOM 83 C1L TOP 1 1 1.842 13.471 13.400 0.00 1.00 -ATOM 84 C1M TOP 1 1 1.842 13.471 16.750 0.00 1.00 -ATOM 85 C1N TOP 1 1 20.262 15.597 10.050 0.00 1.00 -ATOM 86 C1O TOP 1 1 20.262 15.597 13.400 0.00 1.00 -ATOM 87 C1P TOP 1 1 20.262 15.597 16.750 0.00 1.00 -ATOM 88 C1Q TOP 1 1 19.034 17.724 10.050 0.00 1.00 -ATOM 89 C1R TOP 1 1 19.034 17.724 13.400 0.00 1.00 -ATOM 90 C1S TOP 1 1 19.034 17.724 16.750 0.00 1.00 -ATOM 91 C1T TOP 1 1 17.806 19.851 10.050 0.00 1.00 -ATOM 92 C1U TOP 1 1 17.806 19.851 13.400 0.00 1.00 -ATOM 93 C1V TOP 1 1 17.806 19.851 16.750 0.00 1.00 -ATOM 94 C1W TOP 1 1 16.578 21.978 10.050 0.00 1.00 -ATOM 95 C1X TOP 1 1 16.578 21.978 13.400 0.00 1.00 -ATOM 96 C1Y TOP 1 1 16.578 21.978 16.750 0.00 1.00 -ATOM 97 C1Z TOP 1 1 15.350 24.105 10.050 0.00 1.00 -ATOM 98 C1a TOP 1 1 15.350 24.105 13.400 0.00 1.00 -ATOM 99 C1b TOP 1 1 15.350 24.105 16.750 0.00 1.00 -ATOM 100 C1c TOP 1 1 14.122 26.232 10.050 0.00 1.00 -ATOM 101 C1d TOP 1 1 14.122 26.232 13.400 0.00 1.00 -ATOM 102 C1e TOP 1 1 14.122 26.232 16.750 0.00 1.00 -ATOM 103 C1f TOP 1 1 12.894 28.359 10.050 0.00 1.00 -ATOM 104 C1g TOP 1 1 12.894 28.359 13.400 0.00 1.00 -ATOM 105 C1h TOP 1 1 12.894 28.359 16.750 0.00 1.00 -ATOM 106 C1i TOP 1 1 11.666 0.709 10.050 0.00 1.00 -ATOM 107 C1j TOP 1 1 11.666 0.709 13.400 0.00 1.00 -ATOM 108 C1k TOP 1 1 11.666 0.709 16.750 0.00 1.00 -ATOM 109 C1l TOP 1 1 10.438 2.836 10.050 0.00 1.00 -ATOM 110 C1m TOP 1 1 10.438 2.836 13.400 0.00 1.00 -ATOM 111 C1n TOP 1 1 10.438 2.836 16.750 0.00 1.00 -ATOM 112 C1o TOP 1 1 9.210 4.963 10.050 0.00 1.00 -ATOM 113 C1p TOP 1 1 9.210 4.963 13.400 0.00 1.00 -ATOM 114 C1q TOP 1 1 9.210 4.963 16.750 0.00 1.00 -ATOM 115 C1r TOP 1 1 7.982 7.090 10.050 0.00 1.00 -ATOM 116 C1s TOP 1 1 7.982 7.090 13.400 0.00 1.00 -ATOM 117 C1t TOP 1 1 7.982 7.090 16.750 0.00 1.00 -ATOM 118 C1u TOP 1 1 6.754 9.217 10.050 0.00 1.00 -ATOM 119 C1v TOP 1 1 6.754 9.217 13.400 0.00 1.00 -ATOM 120 C1w TOP 1 1 6.754 9.217 16.750 0.00 1.00 -ATOM 121 C1x TOP 1 1 5.526 11.344 10.050 0.00 1.00 -ATOM 122 C1y TOP 1 1 5.526 11.344 13.400 0.00 1.00 -ATOM 123 C1z TOP 1 1 5.526 11.344 16.750 0.00 1.00 -ATOM 124 C20 TOP 1 1 4.298 13.471 10.050 0.00 1.00 -ATOM 125 C21 TOP 1 1 4.298 13.471 13.400 0.00 1.00 -ATOM 126 C22 TOP 1 1 4.298 13.471 16.750 0.00 1.00 -ATOM 127 C23 TOP 1 1 22.718 15.597 10.050 0.00 1.00 -ATOM 128 C24 TOP 1 1 22.718 15.597 13.400 0.00 1.00 -ATOM 129 C25 TOP 1 1 22.718 15.597 16.750 0.00 1.00 -ATOM 130 C26 TOP 1 1 21.490 17.724 10.050 0.00 1.00 -ATOM 131 C27 TOP 1 1 21.490 17.724 13.400 0.00 1.00 -ATOM 132 C28 TOP 1 1 21.490 17.724 16.750 0.00 1.00 -ATOM 133 C29 TOP 1 1 20.262 19.851 10.050 0.00 1.00 -ATOM 134 C2A TOP 1 1 20.262 19.851 13.400 0.00 1.00 -ATOM 135 C2B TOP 1 1 20.262 19.851 16.750 0.00 1.00 -ATOM 136 C2C TOP 1 1 19.034 21.978 10.050 0.00 1.00 -ATOM 137 C2D TOP 1 1 19.034 21.978 13.400 0.00 1.00 -ATOM 138 C2E TOP 1 1 19.034 21.978 16.750 0.00 1.00 -ATOM 139 C2F TOP 1 1 17.806 24.105 10.050 0.00 1.00 -ATOM 140 C2G TOP 1 1 17.806 24.105 13.400 0.00 1.00 -ATOM 141 C2H TOP 1 1 17.806 24.105 16.750 0.00 1.00 -ATOM 142 C2I TOP 1 1 16.578 26.232 10.050 0.00 1.00 -ATOM 143 C2J TOP 1 1 16.578 26.232 13.400 0.00 1.00 -ATOM 144 C2K TOP 1 1 16.578 26.232 16.750 0.00 1.00 -ATOM 145 C2L TOP 1 1 15.350 28.359 10.050 0.00 1.00 -ATOM 146 C2M TOP 1 1 15.350 28.359 13.400 0.00 1.00 -ATOM 147 C2N TOP 1 1 15.350 28.359 16.750 0.00 1.00 -ATOM 148 C2O TOP 1 1 14.122 0.709 10.050 0.00 1.00 -ATOM 149 C2P TOP 1 1 14.122 0.709 13.400 0.00 1.00 -ATOM 150 C2Q TOP 1 1 14.122 0.709 16.750 0.00 1.00 -ATOM 151 C2R TOP 1 1 12.894 2.836 10.050 0.00 1.00 -ATOM 152 C2S TOP 1 1 12.894 2.836 13.400 0.00 1.00 -ATOM 153 C2T TOP 1 1 12.894 2.836 16.750 0.00 1.00 -ATOM 154 C2U TOP 1 1 11.666 4.963 10.050 0.00 1.00 -ATOM 155 C2V TOP 1 1 11.666 4.963 13.400 0.00 1.00 -ATOM 156 C2W TOP 1 1 11.666 4.963 16.750 0.00 1.00 -ATOM 157 C2X TOP 1 1 10.438 7.090 10.050 0.00 1.00 -ATOM 158 C2Y TOP 1 1 10.438 7.090 13.400 0.00 1.00 -ATOM 159 C2Z TOP 1 1 10.438 7.090 16.750 0.00 1.00 -ATOM 160 C2a TOP 1 1 9.210 9.217 10.050 0.00 1.00 -ATOM 161 C2b TOP 1 1 9.210 9.217 13.400 0.00 1.00 -ATOM 162 C2c TOP 1 1 9.210 9.217 16.750 0.00 1.00 -ATOM 163 C2d TOP 1 1 7.982 11.344 10.050 0.00 1.00 -ATOM 164 C2e TOP 1 1 7.982 11.344 13.400 0.00 1.00 -ATOM 165 C2f TOP 1 1 7.982 11.344 16.750 0.00 1.00 -ATOM 166 C2g TOP 1 1 6.754 13.471 10.050 0.00 1.00 -ATOM 167 C2h TOP 1 1 6.754 13.471 13.400 0.00 1.00 -ATOM 168 C2i TOP 1 1 6.754 13.471 16.750 0.00 1.00 -ATOM 169 C2j TOP 1 1 25.174 15.597 10.050 0.00 1.00 -ATOM 170 C2k TOP 1 1 25.174 15.597 13.400 0.00 1.00 -ATOM 171 C2l TOP 1 1 25.174 15.597 16.750 0.00 1.00 -ATOM 172 C2m TOP 1 1 23.946 17.724 10.050 0.00 1.00 -ATOM 173 C2n TOP 1 1 23.946 17.724 13.400 0.00 1.00 -ATOM 174 C2o TOP 1 1 23.946 17.724 16.750 0.00 1.00 -ATOM 175 C2p TOP 1 1 22.718 19.851 10.050 0.00 1.00 -ATOM 176 C2q TOP 1 1 22.718 19.851 13.400 0.00 1.00 -ATOM 177 C2r TOP 1 1 22.718 19.851 16.750 0.00 1.00 -ATOM 178 C2s TOP 1 1 21.490 21.978 10.050 0.00 1.00 -ATOM 179 C2t TOP 1 1 21.490 21.978 13.400 0.00 1.00 -ATOM 180 C2u TOP 1 1 21.490 21.978 16.750 0.00 1.00 -ATOM 181 C2v TOP 1 1 20.262 24.105 10.050 0.00 1.00 -ATOM 182 C2w TOP 1 1 20.262 24.105 13.400 0.00 1.00 -ATOM 183 C2x TOP 1 1 20.262 24.105 16.750 0.00 1.00 -ATOM 184 C2y TOP 1 1 19.034 26.232 10.050 0.00 1.00 -ATOM 185 C2z TOP 1 1 19.034 26.232 13.400 0.00 1.00 -ATOM 186 C30 TOP 1 1 19.034 26.232 16.750 0.00 1.00 -ATOM 187 C31 TOP 1 1 17.806 28.359 10.050 0.00 1.00 -ATOM 188 C32 TOP 1 1 17.806 28.359 13.400 0.00 1.00 -ATOM 189 C33 TOP 1 1 17.806 28.359 16.750 0.00 1.00 -ATOM 190 C34 TOP 1 1 16.578 0.709 10.050 0.00 1.00 -ATOM 191 C35 TOP 1 1 16.578 0.709 13.400 0.00 1.00 -ATOM 192 C36 TOP 1 1 16.578 0.709 16.750 0.00 1.00 -ATOM 193 C37 TOP 1 1 15.350 2.836 10.050 0.00 1.00 -ATOM 194 C38 TOP 1 1 15.350 2.836 13.400 0.00 1.00 -ATOM 195 C39 TOP 1 1 15.350 2.836 16.750 0.00 1.00 -ATOM 196 C3A TOP 1 1 14.122 4.963 10.050 0.00 1.00 -ATOM 197 C3B TOP 1 1 14.122 4.963 13.400 0.00 1.00 -ATOM 198 C3C TOP 1 1 14.122 4.963 16.750 0.00 1.00 -ATOM 199 C3D TOP 1 1 12.894 7.090 10.050 0.00 1.00 -ATOM 200 C3E TOP 1 1 12.894 7.090 13.400 0.00 1.00 -ATOM 201 C3F TOP 1 1 12.894 7.090 16.750 0.00 1.00 -ATOM 202 C3G TOP 1 1 11.666 9.217 10.050 0.00 1.00 -ATOM 203 C3H TOP 1 1 11.666 9.217 13.400 0.00 1.00 -ATOM 204 C3I TOP 1 1 11.666 9.217 16.750 0.00 1.00 -ATOM 205 C3J TOP 1 1 10.438 11.344 10.050 0.00 1.00 -ATOM 206 C3K TOP 1 1 10.438 11.344 13.400 0.00 1.00 -ATOM 207 C3L TOP 1 1 10.438 11.344 16.750 0.00 1.00 -ATOM 208 C3M TOP 1 1 9.210 13.471 10.050 0.00 1.00 -ATOM 209 C3N TOP 1 1 9.210 13.471 13.400 0.00 1.00 -ATOM 210 C3O TOP 1 1 9.210 13.471 16.750 0.00 1.00 -ATOM 211 C3P TOP 1 1 27.630 15.597 10.050 0.00 1.00 -ATOM 212 C3Q TOP 1 1 27.630 15.597 13.400 0.00 1.00 -ATOM 213 C3R TOP 1 1 27.630 15.597 16.750 0.00 1.00 -ATOM 214 C3S TOP 1 1 26.402 17.724 10.050 0.00 1.00 -ATOM 215 C3T TOP 1 1 26.402 17.724 13.400 0.00 1.00 -ATOM 216 C3U TOP 1 1 26.402 17.724 16.750 0.00 1.00 -ATOM 217 C3V TOP 1 1 25.174 19.851 10.050 0.00 1.00 -ATOM 218 C3W TOP 1 1 25.174 19.851 13.400 0.00 1.00 -ATOM 219 C3X TOP 1 1 25.174 19.851 16.750 0.00 1.00 -ATOM 220 C3Y TOP 1 1 23.946 21.978 10.050 0.00 1.00 -ATOM 221 C3Z TOP 1 1 23.946 21.978 13.400 0.00 1.00 -ATOM 222 C3a TOP 1 1 23.946 21.978 16.750 0.00 1.00 -ATOM 223 C3b TOP 1 1 22.718 24.105 10.050 0.00 1.00 -ATOM 224 C3c TOP 1 1 22.718 24.105 13.400 0.00 1.00 -ATOM 225 C3d TOP 1 1 22.718 24.105 16.750 0.00 1.00 -ATOM 226 C3e TOP 1 1 21.490 26.232 10.050 0.00 1.00 -ATOM 227 C3f TOP 1 1 21.490 26.232 13.400 0.00 1.00 -ATOM 228 C3g TOP 1 1 21.490 26.232 16.750 0.00 1.00 -ATOM 229 C3h TOP 1 1 20.262 28.359 10.050 0.00 1.00 -ATOM 230 C3i TOP 1 1 20.262 28.359 13.400 0.00 1.00 -ATOM 231 C3j TOP 1 1 20.262 28.359 16.750 0.00 1.00 -ATOM 232 C3k TOP 1 1 19.034 0.709 10.050 0.00 1.00 -ATOM 233 C3l TOP 1 1 19.034 0.709 13.400 0.00 1.00 -ATOM 234 C3m TOP 1 1 19.034 0.709 16.750 0.00 1.00 -ATOM 235 C3n TOP 1 1 17.806 2.836 10.050 0.00 1.00 -ATOM 236 C3o TOP 1 1 17.806 2.836 13.400 0.00 1.00 -ATOM 237 C3p TOP 1 1 17.806 2.836 16.750 0.00 1.00 -ATOM 238 C3q TOP 1 1 16.578 4.963 10.050 0.00 1.00 -ATOM 239 C3r TOP 1 1 16.578 4.963 13.400 0.00 1.00 -ATOM 240 C3s TOP 1 1 16.578 4.963 16.750 0.00 1.00 -ATOM 241 C3t TOP 1 1 15.350 7.090 10.050 0.00 1.00 -ATOM 242 C3u TOP 1 1 15.350 7.090 13.400 0.00 1.00 -ATOM 243 C3v TOP 1 1 15.350 7.090 16.750 0.00 1.00 -ATOM 244 C3w TOP 1 1 14.122 9.217 10.050 0.00 1.00 -ATOM 245 C3x TOP 1 1 14.122 9.217 13.400 0.00 1.00 -ATOM 246 C3y TOP 1 1 14.122 9.217 16.750 0.00 1.00 -ATOM 247 C3z TOP 1 1 12.894 11.344 10.050 0.00 1.00 -ATOM 248 C40 TOP 1 1 12.894 11.344 13.400 0.00 1.00 -ATOM 249 C41 TOP 1 1 12.894 11.344 16.750 0.00 1.00 -ATOM 250 C42 TOP 1 1 11.666 13.471 10.050 0.00 1.00 -ATOM 251 C43 TOP 1 1 11.666 13.471 13.400 0.00 1.00 -ATOM 252 C44 TOP 1 1 11.666 13.471 16.750 0.00 1.00 -ATOM 253 C45 TOP 1 1 0.614 15.597 10.050 0.00 1.00 -ATOM 254 C46 TOP 1 1 0.614 15.597 13.400 0.00 1.00 -ATOM 255 C47 TOP 1 1 0.614 15.597 16.750 0.00 1.00 -ATOM 256 C48 TOP 1 1 28.858 17.724 10.050 0.00 1.00 -ATOM 257 C49 TOP 1 1 28.858 17.724 13.400 0.00 1.00 -ATOM 258 C4A TOP 1 1 28.858 17.724 16.750 0.00 1.00 -ATOM 259 C4B TOP 1 1 27.630 19.851 10.050 0.00 1.00 -ATOM 260 C4C TOP 1 1 27.630 19.851 13.400 0.00 1.00 -ATOM 261 C4D TOP 1 1 27.630 19.851 16.750 0.00 1.00 -ATOM 262 C4E TOP 1 1 26.402 21.978 10.050 0.00 1.00 -ATOM 263 C4F TOP 1 1 26.402 21.978 13.400 0.00 1.00 -ATOM 264 C4G TOP 1 1 26.402 21.978 16.750 0.00 1.00 -ATOM 265 C4H TOP 1 1 25.174 24.105 10.050 0.00 1.00 -ATOM 266 C4I TOP 1 1 25.174 24.105 13.400 0.00 1.00 -ATOM 267 C4J TOP 1 1 25.174 24.105 16.750 0.00 1.00 -ATOM 268 C4K TOP 1 1 23.946 26.232 10.050 0.00 1.00 -ATOM 269 C4L TOP 1 1 23.946 26.232 13.400 0.00 1.00 -ATOM 270 C4M TOP 1 1 23.946 26.232 16.750 0.00 1.00 -ATOM 271 C4N TOP 1 1 22.718 28.359 10.050 0.00 1.00 -ATOM 272 C4O TOP 1 1 22.718 28.359 13.400 0.00 1.00 -ATOM 273 C4P TOP 1 1 22.718 28.359 16.750 0.00 1.00 -ATOM 274 C4Q TOP 1 1 21.490 0.709 10.050 0.00 1.00 -ATOM 275 C4R TOP 1 1 21.490 0.709 13.400 0.00 1.00 -ATOM 276 C4S TOP 1 1 21.490 0.709 16.750 0.00 1.00 -ATOM 277 C4T TOP 1 1 20.262 2.836 10.050 0.00 1.00 -ATOM 278 C4U TOP 1 1 20.262 2.836 13.400 0.00 1.00 -ATOM 279 C4V TOP 1 1 20.262 2.836 16.750 0.00 1.00 -ATOM 280 C4W TOP 1 1 19.034 4.963 10.050 0.00 1.00 -ATOM 281 C4X TOP 1 1 19.034 4.963 13.400 0.00 1.00 -ATOM 282 C4Y TOP 1 1 19.034 4.963 16.750 0.00 1.00 -ATOM 283 C4Z TOP 1 1 17.806 7.090 10.050 0.00 1.00 -ATOM 284 C4a TOP 1 1 17.806 7.090 13.400 0.00 1.00 -ATOM 285 C4b TOP 1 1 17.806 7.090 16.750 0.00 1.00 -ATOM 286 C4c TOP 1 1 16.578 9.217 10.050 0.00 1.00 -ATOM 287 C4d TOP 1 1 16.578 9.217 13.400 0.00 1.00 -ATOM 288 C4e TOP 1 1 16.578 9.217 16.750 0.00 1.00 -ATOM 289 C4f TOP 1 1 15.350 11.344 10.050 0.00 1.00 -ATOM 290 C4g TOP 1 1 15.350 11.344 13.400 0.00 1.00 -ATOM 291 C4h TOP 1 1 15.350 11.344 16.750 0.00 1.00 -ATOM 292 C4i TOP 1 1 14.122 13.471 10.050 0.00 1.00 -ATOM 293 C4j TOP 1 1 14.122 13.471 13.400 0.00 1.00 -ATOM 294 C4k TOP 1 1 14.122 13.471 16.750 0.00 1.00 -ATOM 295 C4l TOP 1 1 3.070 15.597 10.050 0.00 1.00 -ATOM 296 C4m TOP 1 1 3.070 15.597 13.400 0.00 1.00 -ATOM 297 C4n TOP 1 1 3.070 15.597 16.750 0.00 1.00 -ATOM 298 C4o TOP 1 1 1.842 17.724 10.050 0.00 1.00 -ATOM 299 C4p TOP 1 1 1.842 17.724 13.400 0.00 1.00 -ATOM 300 C4q TOP 1 1 1.842 17.724 16.750 0.00 1.00 -ATOM 301 C4r TOP 1 1 0.614 19.851 10.050 0.00 1.00 -ATOM 302 C4s TOP 1 1 0.614 19.851 13.400 0.00 1.00 -ATOM 303 C4t TOP 1 1 0.614 19.851 16.750 0.00 1.00 -ATOM 304 C4u TOP 1 1 28.858 21.978 10.050 0.00 1.00 -ATOM 305 C4v TOP 1 1 28.858 21.978 13.400 0.00 1.00 -ATOM 306 C4w TOP 1 1 28.858 21.978 16.750 0.00 1.00 -ATOM 307 C4x TOP 1 1 27.630 24.105 10.050 0.00 1.00 -ATOM 308 C4y TOP 1 1 27.630 24.105 13.400 0.00 1.00 -ATOM 309 C4z TOP 1 1 27.630 24.105 16.750 0.00 1.00 -ATOM 310 C50 TOP 1 1 26.402 26.232 10.050 0.00 1.00 -ATOM 311 C51 TOP 1 1 26.402 26.232 13.400 0.00 1.00 -ATOM 312 C52 TOP 1 1 26.402 26.232 16.750 0.00 1.00 -ATOM 313 C53 TOP 1 1 25.174 28.359 10.050 0.00 1.00 -ATOM 314 C54 TOP 1 1 25.174 28.359 13.400 0.00 1.00 -ATOM 315 C55 TOP 1 1 25.174 28.359 16.750 0.00 1.00 -ATOM 316 C56 TOP 1 1 23.946 0.709 10.050 0.00 1.00 -ATOM 317 C57 TOP 1 1 23.946 0.709 13.400 0.00 1.00 -ATOM 318 C58 TOP 1 1 23.946 0.709 16.750 0.00 1.00 -ATOM 319 C59 TOP 1 1 22.718 2.836 10.050 0.00 1.00 -ATOM 320 C5A TOP 1 1 22.718 2.836 13.400 0.00 1.00 -ATOM 321 C5B TOP 1 1 22.718 2.836 16.750 0.00 1.00 -ATOM 322 C5C TOP 1 1 21.490 4.963 10.050 0.00 1.00 -ATOM 323 C5D TOP 1 1 21.490 4.963 13.400 0.00 1.00 -ATOM 324 C5E TOP 1 1 21.490 4.963 16.750 0.00 1.00 -ATOM 325 C5F TOP 1 1 20.262 7.090 10.050 0.00 1.00 -ATOM 326 C5G TOP 1 1 20.262 7.090 13.400 0.00 1.00 -ATOM 327 C5H TOP 1 1 20.262 7.090 16.750 0.00 1.00 -ATOM 328 C5I TOP 1 1 19.034 9.217 10.050 0.00 1.00 -ATOM 329 C5J TOP 1 1 19.034 9.217 13.400 0.00 1.00 -ATOM 330 C5K TOP 1 1 19.034 9.217 16.750 0.00 1.00 -ATOM 331 C5L TOP 1 1 17.806 11.344 10.050 0.00 1.00 -ATOM 332 C5M TOP 1 1 17.806 11.344 13.400 0.00 1.00 -ATOM 333 C5N TOP 1 1 17.806 11.344 16.750 0.00 1.00 -ATOM 334 C5O TOP 1 1 16.578 13.471 10.050 0.00 1.00 -ATOM 335 C5P TOP 1 1 16.578 13.471 13.400 0.00 1.00 -ATOM 336 C5Q TOP 1 1 16.578 13.471 16.750 0.00 1.00 -ATOM 337 C5R TOP 1 1 5.526 15.597 10.050 0.00 1.00 -ATOM 338 C5S TOP 1 1 5.526 15.597 13.400 0.00 1.00 -ATOM 339 C5T TOP 1 1 5.526 15.597 16.750 0.00 1.00 -ATOM 340 C5U TOP 1 1 4.298 17.724 10.050 0.00 1.00 -ATOM 341 C5V TOP 1 1 4.298 17.724 13.400 0.00 1.00 -ATOM 342 C5W TOP 1 1 4.298 17.724 16.750 0.00 1.00 -ATOM 343 C5X TOP 1 1 3.070 19.851 10.050 0.00 1.00 -ATOM 344 C5Y TOP 1 1 3.070 19.851 13.400 0.00 1.00 -ATOM 345 C5Z TOP 1 1 3.070 19.851 16.750 0.00 1.00 -ATOM 346 C5a TOP 1 1 1.842 21.978 10.050 0.00 1.00 -ATOM 347 C5b TOP 1 1 1.842 21.978 13.400 0.00 1.00 -ATOM 348 C5c TOP 1 1 1.842 21.978 16.750 0.00 1.00 -ATOM 349 C5d TOP 1 1 0.614 24.105 10.050 0.00 1.00 -ATOM 350 C5e TOP 1 1 0.614 24.105 13.400 0.00 1.00 -ATOM 351 C5f TOP 1 1 0.614 24.105 16.750 0.00 1.00 -ATOM 352 C5g TOP 1 1 28.858 26.232 10.050 0.00 1.00 -ATOM 353 C5h TOP 1 1 28.858 26.232 13.400 0.00 1.00 -ATOM 354 C5i TOP 1 1 28.858 26.232 16.750 0.00 1.00 -ATOM 355 C5j TOP 1 1 27.630 28.359 10.050 0.00 1.00 -ATOM 356 C5k TOP 1 1 27.630 28.359 13.400 0.00 1.00 -ATOM 357 C5l TOP 1 1 27.630 28.359 16.750 0.00 1.00 -ATOM 358 C5m TOP 1 1 26.402 0.709 10.050 0.00 1.00 -ATOM 359 C5n TOP 1 1 26.402 0.709 13.400 0.00 1.00 -ATOM 360 C5o TOP 1 1 26.402 0.709 16.750 0.00 1.00 -ATOM 361 C5p TOP 1 1 25.174 2.836 10.050 0.00 1.00 -ATOM 362 C5q TOP 1 1 25.174 2.836 13.400 0.00 1.00 -ATOM 363 C5r TOP 1 1 25.174 2.836 16.750 0.00 1.00 -ATOM 364 C5s TOP 1 1 23.946 4.963 10.050 0.00 1.00 -ATOM 365 C5t TOP 1 1 23.946 4.963 13.400 0.00 1.00 -ATOM 366 C5u TOP 1 1 23.946 4.963 16.750 0.00 1.00 -ATOM 367 C5v TOP 1 1 22.718 7.090 10.050 0.00 1.00 -ATOM 368 C5w TOP 1 1 22.718 7.090 13.400 0.00 1.00 -ATOM 369 C5x TOP 1 1 22.718 7.090 16.750 0.00 1.00 -ATOM 370 C5y TOP 1 1 21.490 9.217 10.050 0.00 1.00 -ATOM 371 C5z TOP 1 1 21.490 9.217 13.400 0.00 1.00 -ATOM 372 C60 TOP 1 1 21.490 9.217 16.750 0.00 1.00 -ATOM 373 C61 TOP 1 1 20.262 11.344 10.050 0.00 1.00 -ATOM 374 C62 TOP 1 1 20.262 11.344 13.400 0.00 1.00 -ATOM 375 C63 TOP 1 1 20.262 11.344 16.750 0.00 1.00 -ATOM 376 C64 TOP 1 1 19.034 13.471 10.050 0.00 1.00 -ATOM 377 C65 TOP 1 1 19.034 13.471 13.400 0.00 1.00 -ATOM 378 C66 TOP 1 1 19.034 13.471 16.750 0.00 1.00 -ATOM 379 C67 TOP 1 1 7.982 15.597 10.050 0.00 1.00 -ATOM 380 C68 TOP 1 1 7.982 15.597 13.400 0.00 1.00 -ATOM 381 C69 TOP 1 1 7.982 15.597 16.750 0.00 1.00 -ATOM 382 C6A TOP 1 1 6.754 17.724 10.050 0.00 1.00 -ATOM 383 C6B TOP 1 1 6.754 17.724 13.400 0.00 1.00 -ATOM 384 C6C TOP 1 1 6.754 17.724 16.750 0.00 1.00 -ATOM 385 C6D TOP 1 1 5.526 19.851 10.050 0.00 1.00 -ATOM 386 C6E TOP 1 1 5.526 19.851 13.400 0.00 1.00 -ATOM 387 C6F TOP 1 1 5.526 19.851 16.750 0.00 1.00 -ATOM 388 C6G TOP 1 1 4.298 21.978 10.050 0.00 1.00 -ATOM 389 C6H TOP 1 1 4.298 21.978 13.400 0.00 1.00 -ATOM 390 C6I TOP 1 1 4.298 21.978 16.750 0.00 1.00 -ATOM 391 C6J TOP 1 1 3.070 24.105 10.050 0.00 1.00 -ATOM 392 C6K TOP 1 1 3.070 24.105 13.400 0.00 1.00 -ATOM 393 C6L TOP 1 1 3.070 24.105 16.750 0.00 1.00 -ATOM 394 C6M TOP 1 1 1.842 26.232 10.050 0.00 1.00 -ATOM 395 C6N TOP 1 1 1.842 26.232 13.400 0.00 1.00 -ATOM 396 C6O TOP 1 1 1.842 26.232 16.750 0.00 1.00 -ATOM 397 C6P TOP 1 1 0.614 28.359 10.050 0.00 1.00 -ATOM 398 C6Q TOP 1 1 0.614 28.359 13.400 0.00 1.00 -ATOM 399 C6R TOP 1 1 0.614 28.359 16.750 0.00 1.00 -ATOM 400 C6S TOP 1 1 28.858 0.709 10.050 0.00 1.00 -ATOM 401 C6T TOP 1 1 28.858 0.709 13.400 0.00 1.00 -ATOM 402 C6U TOP 1 1 28.858 0.709 16.750 0.00 1.00 -ATOM 403 C6V TOP 1 1 27.630 2.836 10.050 0.00 1.00 -ATOM 404 C6W TOP 1 1 27.630 2.836 13.400 0.00 1.00 -ATOM 405 C6X TOP 1 1 27.630 2.836 16.750 0.00 1.00 -ATOM 406 C6Y TOP 1 1 26.402 4.963 10.050 0.00 1.00 -ATOM 407 C6Z TOP 1 1 26.402 4.963 13.400 0.00 1.00 -ATOM 408 C6a TOP 1 1 26.402 4.963 16.750 0.00 1.00 -ATOM 409 C6b TOP 1 1 25.174 7.090 10.050 0.00 1.00 -ATOM 410 C6c TOP 1 1 25.174 7.090 13.400 0.00 1.00 -ATOM 411 C6d TOP 1 1 25.174 7.090 16.750 0.00 1.00 -ATOM 412 C6e TOP 1 1 23.946 9.217 10.050 0.00 1.00 -ATOM 413 C6f TOP 1 1 23.946 9.217 13.400 0.00 1.00 -ATOM 414 C6g TOP 1 1 23.946 9.217 16.750 0.00 1.00 -ATOM 415 C6h TOP 1 1 22.718 11.344 10.050 0.00 1.00 -ATOM 416 C6i TOP 1 1 22.718 11.344 13.400 0.00 1.00 -ATOM 417 C6j TOP 1 1 22.718 11.344 16.750 0.00 1.00 -ATOM 418 C6k TOP 1 1 21.490 13.471 10.050 0.00 1.00 -ATOM 419 C6l TOP 1 1 21.490 13.471 13.400 0.00 1.00 -ATOM 420 C6m TOP 1 1 21.490 13.471 16.750 0.00 1.00 -ATOM 421 C6n TOP 1 1 10.438 15.597 10.050 0.00 1.00 -ATOM 422 C6o TOP 1 1 10.438 15.597 13.400 0.00 1.00 -ATOM 423 C6p TOP 1 1 10.438 15.597 16.750 0.00 1.00 -ATOM 424 C6q TOP 1 1 9.210 17.724 10.050 0.00 1.00 -ATOM 425 C6r TOP 1 1 9.210 17.724 13.400 0.00 1.00 -ATOM 426 C6s TOP 1 1 9.210 17.724 16.750 0.00 1.00 -ATOM 427 C6t TOP 1 1 7.982 19.851 10.050 0.00 1.00 -ATOM 428 C6u TOP 1 1 7.982 19.851 13.400 0.00 1.00 -ATOM 429 C6v TOP 1 1 7.982 19.851 16.750 0.00 1.00 -ATOM 430 C6w TOP 1 1 6.754 21.978 10.050 0.00 1.00 -ATOM 431 C6x TOP 1 1 6.754 21.978 13.400 0.00 1.00 -ATOM 432 C6y TOP 1 1 6.754 21.978 16.750 0.00 1.00 -ATOM 433 C6z TOP 1 1 5.526 24.105 10.050 0.00 1.00 -ATOM 434 C70 TOP 1 1 5.526 24.105 13.400 0.00 1.00 -ATOM 435 C71 TOP 1 1 5.526 24.105 16.750 0.00 1.00 -ATOM 436 C72 TOP 1 1 4.298 26.232 10.050 0.00 1.00 -ATOM 437 C73 TOP 1 1 4.298 26.232 13.400 0.00 1.00 -ATOM 438 C74 TOP 1 1 4.298 26.232 16.750 0.00 1.00 -ATOM 439 C75 TOP 1 1 3.070 28.359 10.050 0.00 1.00 -ATOM 440 C76 TOP 1 1 3.070 28.359 13.400 0.00 1.00 -ATOM 441 C77 TOP 1 1 3.070 28.359 16.750 0.00 1.00 -ATOM 442 C78 TOP 1 1 1.842 0.709 10.050 0.00 1.00 -ATOM 443 C79 TOP 1 1 1.842 0.709 13.400 0.00 1.00 -ATOM 444 C7A TOP 1 1 1.842 0.709 16.750 0.00 1.00 -ATOM 445 C7B TOP 1 1 0.614 2.836 10.050 0.00 1.00 -ATOM 446 C7C TOP 1 1 0.614 2.836 13.400 0.00 1.00 -ATOM 447 C7D TOP 1 1 0.614 2.836 16.750 0.00 1.00 -ATOM 448 C7E TOP 1 1 28.858 4.963 10.050 0.00 1.00 -ATOM 449 C7F TOP 1 1 28.858 4.963 13.400 0.00 1.00 -ATOM 450 C7G TOP 1 1 28.858 4.963 16.750 0.00 1.00 -ATOM 451 C7H TOP 1 1 27.630 7.090 10.050 0.00 1.00 -ATOM 452 C7I TOP 1 1 27.630 7.090 13.400 0.00 1.00 -ATOM 453 C7J TOP 1 1 27.630 7.090 16.750 0.00 1.00 -ATOM 454 C7K TOP 1 1 26.402 9.217 10.050 0.00 1.00 -ATOM 455 C7L TOP 1 1 26.402 9.217 13.400 0.00 1.00 -ATOM 456 C7M TOP 1 1 26.402 9.217 16.750 0.00 1.00 -ATOM 457 C7N TOP 1 1 25.174 11.344 10.050 0.00 1.00 -ATOM 458 C7O TOP 1 1 25.174 11.344 13.400 0.00 1.00 -ATOM 459 C7P TOP 1 1 25.174 11.344 16.750 0.00 1.00 -ATOM 460 C7Q TOP 1 1 23.946 13.471 10.050 0.00 1.00 -ATOM 461 C7R TOP 1 1 23.946 13.471 13.400 0.00 1.00 -ATOM 462 C7S TOP 1 1 23.946 13.471 16.750 0.00 1.00 -ATOM 463 C7T TOP 1 1 12.894 15.597 10.050 0.00 1.00 -ATOM 464 C7U TOP 1 1 12.894 15.597 13.400 0.00 1.00 -ATOM 465 C7V TOP 1 1 12.894 15.597 16.750 0.00 1.00 -ATOM 466 C7W TOP 1 1 11.666 17.724 10.050 0.00 1.00 -ATOM 467 C7X TOP 1 1 11.666 17.724 13.400 0.00 1.00 -ATOM 468 C7Y TOP 1 1 11.666 17.724 16.750 0.00 1.00 -ATOM 469 C7Z TOP 1 1 10.438 19.851 10.050 0.00 1.00 -ATOM 470 C7a TOP 1 1 10.438 19.851 13.400 0.00 1.00 -ATOM 471 C7b TOP 1 1 10.438 19.851 16.750 0.00 1.00 -ATOM 472 C7c TOP 1 1 9.210 21.978 10.050 0.00 1.00 -ATOM 473 C7d TOP 1 1 9.210 21.978 13.400 0.00 1.00 -ATOM 474 C7e TOP 1 1 9.210 21.978 16.750 0.00 1.00 -ATOM 475 C7f TOP 1 1 7.982 24.105 10.050 0.00 1.00 -ATOM 476 C7g TOP 1 1 7.982 24.105 13.400 0.00 1.00 -ATOM 477 C7h TOP 1 1 7.982 24.105 16.750 0.00 1.00 -ATOM 478 C7i TOP 1 1 6.754 26.232 10.050 0.00 1.00 -ATOM 479 C7j TOP 1 1 6.754 26.232 13.400 0.00 1.00 -ATOM 480 C7k TOP 1 1 6.754 26.232 16.750 0.00 1.00 -ATOM 481 C7l TOP 1 1 5.526 28.359 10.050 0.00 1.00 -ATOM 482 C7m TOP 1 1 5.526 28.359 13.400 0.00 1.00 -ATOM 483 C7n TOP 1 1 5.526 28.359 16.750 0.00 1.00 -ATOM 484 C7o TOP 1 1 4.298 0.709 10.050 0.00 1.00 -ATOM 485 C7p TOP 1 1 4.298 0.709 13.400 0.00 1.00 -ATOM 486 C7q TOP 1 1 4.298 0.709 16.750 0.00 1.00 -ATOM 487 C7r TOP 1 1 3.070 2.836 10.050 0.00 1.00 -ATOM 488 C7s TOP 1 1 3.070 2.836 13.400 0.00 1.00 -ATOM 489 C7t TOP 1 1 3.070 2.836 16.750 0.00 1.00 -ATOM 490 C7u TOP 1 1 1.842 4.963 10.050 0.00 1.00 -ATOM 491 C7v TOP 1 1 1.842 4.963 13.400 0.00 1.00 -ATOM 492 C7w TOP 1 1 1.842 4.963 16.750 0.00 1.00 -ATOM 493 C7x TOP 1 1 0.614 7.090 10.050 0.00 1.00 -ATOM 494 C7y TOP 1 1 0.614 7.090 13.400 0.00 1.00 -ATOM 495 C7z TOP 1 1 0.614 7.090 16.750 0.00 1.00 -ATOM 496 C80 TOP 1 1 28.858 9.217 10.050 0.00 1.00 -ATOM 497 C81 TOP 1 1 28.858 9.217 13.400 0.00 1.00 -ATOM 498 C82 TOP 1 1 28.858 9.217 16.750 0.00 1.00 -ATOM 499 C83 TOP 1 1 27.630 11.344 10.050 0.00 1.00 -ATOM 500 C84 TOP 1 1 27.630 11.344 13.400 0.00 1.00 -ATOM 501 C85 TOP 1 1 27.630 11.344 16.750 0.00 1.00 -ATOM 502 C86 TOP 1 1 26.402 13.471 10.050 0.00 1.00 -ATOM 503 C87 TOP 1 1 26.402 13.471 13.400 0.00 1.00 -ATOM 504 C88 TOP 1 1 26.402 13.471 16.750 0.00 1.00 -ATOM 505 C89 TOP 1 1 16.578 16.306 10.050 0.00 1.00 -ATOM 506 C8A TOP 1 1 16.578 16.306 13.400 0.00 1.00 -ATOM 507 C8B TOP 1 1 16.578 16.306 16.750 0.00 1.00 -ATOM 508 C8C TOP 1 1 15.350 18.433 10.050 0.00 1.00 -ATOM 509 C8D TOP 1 1 15.350 18.433 13.400 0.00 1.00 -ATOM 510 C8E TOP 1 1 15.350 18.433 16.750 0.00 1.00 -ATOM 511 C8F TOP 1 1 14.122 20.560 10.050 0.00 1.00 -ATOM 512 C8G TOP 1 1 14.122 20.560 13.400 0.00 1.00 -ATOM 513 C8H TOP 1 1 14.122 20.560 16.750 0.00 1.00 -ATOM 514 C8I TOP 1 1 12.894 22.687 10.050 0.00 1.00 -ATOM 515 C8J TOP 1 1 12.894 22.687 13.400 0.00 1.00 -ATOM 516 C8K TOP 1 1 12.894 22.687 16.750 0.00 1.00 -ATOM 517 C8L TOP 1 1 11.666 24.814 10.050 0.00 1.00 -ATOM 518 C8M TOP 1 1 11.666 24.814 13.400 0.00 1.00 -ATOM 519 C8N TOP 1 1 11.666 24.814 16.750 0.00 1.00 -ATOM 520 C8O TOP 1 1 10.438 26.941 10.050 0.00 1.00 -ATOM 521 C8P TOP 1 1 10.438 26.941 13.400 0.00 1.00 -ATOM 522 C8Q TOP 1 1 10.438 26.941 16.750 0.00 1.00 -ATOM 523 C8R TOP 1 1 9.210 29.068 10.050 0.00 1.00 -ATOM 524 C8S TOP 1 1 9.210 29.068 13.400 0.00 1.00 -ATOM 525 C8T TOP 1 1 9.210 29.068 16.750 0.00 1.00 -ATOM 526 C8U TOP 1 1 7.982 1.418 10.050 0.00 1.00 -ATOM 527 C8V TOP 1 1 7.982 1.418 13.400 0.00 1.00 -ATOM 528 C8W TOP 1 1 7.982 1.418 16.750 0.00 1.00 -ATOM 529 C8X TOP 1 1 6.754 3.545 10.050 0.00 1.00 -ATOM 530 C8Y TOP 1 1 6.754 3.545 13.400 0.00 1.00 -ATOM 531 C8Z TOP 1 1 6.754 3.545 16.750 0.00 1.00 -ATOM 532 C8a TOP 1 1 5.526 5.672 10.050 0.00 1.00 -ATOM 533 C8b TOP 1 1 5.526 5.672 13.400 0.00 1.00 -ATOM 534 C8c TOP 1 1 5.526 5.672 16.750 0.00 1.00 -ATOM 535 C8d TOP 1 1 4.298 7.799 10.050 0.00 1.00 -ATOM 536 C8e TOP 1 1 4.298 7.799 13.400 0.00 1.00 -ATOM 537 C8f TOP 1 1 4.298 7.799 16.750 0.00 1.00 -ATOM 538 C8g TOP 1 1 3.070 9.926 10.050 0.00 1.00 -ATOM 539 C8h TOP 1 1 3.070 9.926 13.400 0.00 1.00 -ATOM 540 C8i TOP 1 1 3.070 9.926 16.750 0.00 1.00 -ATOM 541 C8j TOP 1 1 1.842 12.053 10.050 0.00 1.00 -ATOM 542 C8k TOP 1 1 1.842 12.053 13.400 0.00 1.00 -ATOM 543 C8l TOP 1 1 1.842 12.053 16.750 0.00 1.00 -ATOM 544 C8m TOP 1 1 0.614 14.180 10.050 0.00 1.00 -ATOM 545 C8n TOP 1 1 0.614 14.180 13.400 0.00 1.00 -ATOM 546 C8o TOP 1 1 0.614 14.180 16.750 0.00 1.00 -ATOM 547 C8p TOP 1 1 19.034 16.306 10.050 0.00 1.00 -ATOM 548 C8q TOP 1 1 19.034 16.306 13.400 0.00 1.00 -ATOM 549 C8r TOP 1 1 19.034 16.306 16.750 0.00 1.00 -ATOM 550 C8s TOP 1 1 17.806 18.433 10.050 0.00 1.00 -ATOM 551 C8t TOP 1 1 17.806 18.433 13.400 0.00 1.00 -ATOM 552 C8u TOP 1 1 17.806 18.433 16.750 0.00 1.00 -ATOM 553 C8v TOP 1 1 16.578 20.560 10.050 0.00 1.00 -ATOM 554 C8w TOP 1 1 16.578 20.560 13.400 0.00 1.00 -ATOM 555 C8x TOP 1 1 16.578 20.560 16.750 0.00 1.00 -ATOM 556 C8y TOP 1 1 15.350 22.687 10.050 0.00 1.00 -ATOM 557 C8z TOP 1 1 15.350 22.687 13.400 0.00 1.00 -ATOM 558 C90 TOP 1 1 15.350 22.687 16.750 0.00 1.00 -ATOM 559 C91 TOP 1 1 14.122 24.814 10.050 0.00 1.00 -ATOM 560 C92 TOP 1 1 14.122 24.814 13.400 0.00 1.00 -ATOM 561 C93 TOP 1 1 14.122 24.814 16.750 0.00 1.00 -ATOM 562 C94 TOP 1 1 12.894 26.941 10.050 0.00 1.00 -ATOM 563 C95 TOP 1 1 12.894 26.941 13.400 0.00 1.00 -ATOM 564 C96 TOP 1 1 12.894 26.941 16.750 0.00 1.00 -ATOM 565 C97 TOP 1 1 11.666 29.068 10.050 0.00 1.00 -ATOM 566 C98 TOP 1 1 11.666 29.068 13.400 0.00 1.00 -ATOM 567 C99 TOP 1 1 11.666 29.068 16.750 0.00 1.00 -ATOM 568 C9A TOP 1 1 10.438 1.418 10.050 0.00 1.00 -ATOM 569 C9B TOP 1 1 10.438 1.418 13.400 0.00 1.00 -ATOM 570 C9C TOP 1 1 10.438 1.418 16.750 0.00 1.00 -ATOM 571 C9D TOP 1 1 9.210 3.545 10.050 0.00 1.00 -ATOM 572 C9E TOP 1 1 9.210 3.545 13.400 0.00 1.00 -ATOM 573 C9F TOP 1 1 9.210 3.545 16.750 0.00 1.00 -ATOM 574 C9G TOP 1 1 7.982 5.672 10.050 0.00 1.00 -ATOM 575 C9H TOP 1 1 7.982 5.672 13.400 0.00 1.00 -ATOM 576 C9I TOP 1 1 7.982 5.672 16.750 0.00 1.00 -ATOM 577 C9J TOP 1 1 6.754 7.799 10.050 0.00 1.00 -ATOM 578 C9K TOP 1 1 6.754 7.799 13.400 0.00 1.00 -ATOM 579 C9L TOP 1 1 6.754 7.799 16.750 0.00 1.00 -ATOM 580 C9M TOP 1 1 5.526 9.926 10.050 0.00 1.00 -ATOM 581 C9N TOP 1 1 5.526 9.926 13.400 0.00 1.00 -ATOM 582 C9O TOP 1 1 5.526 9.926 16.750 0.00 1.00 -ATOM 583 C9P TOP 1 1 4.298 12.053 10.050 0.00 1.00 -ATOM 584 C9Q TOP 1 1 4.298 12.053 13.400 0.00 1.00 -ATOM 585 C9R TOP 1 1 4.298 12.053 16.750 0.00 1.00 -ATOM 586 C9S TOP 1 1 3.070 14.180 10.050 0.00 1.00 -ATOM 587 C9T TOP 1 1 3.070 14.180 13.400 0.00 1.00 -ATOM 588 C9U TOP 1 1 3.070 14.180 16.750 0.00 1.00 -ATOM 589 C9V TOP 1 1 21.490 16.306 10.050 0.00 1.00 -ATOM 590 C9W TOP 1 1 21.490 16.306 13.400 0.00 1.00 -ATOM 591 C9X TOP 1 1 21.490 16.306 16.750 0.00 1.00 -ATOM 592 C9Y TOP 1 1 20.262 18.433 10.050 0.00 1.00 -ATOM 593 C9Z TOP 1 1 20.262 18.433 13.400 0.00 1.00 -ATOM 594 C9a TOP 1 1 20.262 18.433 16.750 0.00 1.00 -ATOM 595 C9b TOP 1 1 19.034 20.560 10.050 0.00 1.00 -ATOM 596 C9c TOP 1 1 19.034 20.560 13.400 0.00 1.00 -ATOM 597 C9d TOP 1 1 19.034 20.560 16.750 0.00 1.00 -ATOM 598 C9e TOP 1 1 17.806 22.687 10.050 0.00 1.00 -ATOM 599 C9f TOP 1 1 17.806 22.687 13.400 0.00 1.00 -ATOM 600 C9g TOP 1 1 17.806 22.687 16.750 0.00 1.00 -ATOM 601 C9h TOP 1 1 16.578 24.814 10.050 0.00 1.00 -ATOM 602 C9i TOP 1 1 16.578 24.814 13.400 0.00 1.00 -ATOM 603 C9j TOP 1 1 16.578 24.814 16.750 0.00 1.00 -ATOM 604 C9k TOP 1 1 15.350 26.941 10.050 0.00 1.00 -ATOM 605 C9l TOP 1 1 15.350 26.941 13.400 0.00 1.00 -ATOM 606 C9m TOP 1 1 15.350 26.941 16.750 0.00 1.00 -ATOM 607 C9n TOP 1 1 14.122 29.068 10.050 0.00 1.00 -ATOM 608 C9o TOP 1 1 14.122 29.068 13.400 0.00 1.00 -ATOM 609 C9p TOP 1 1 14.122 29.068 16.750 0.00 1.00 -ATOM 610 C9q TOP 1 1 12.894 1.418 10.050 0.00 1.00 -ATOM 611 C9r TOP 1 1 12.894 1.418 13.400 0.00 1.00 -ATOM 612 C9s TOP 1 1 12.894 1.418 16.750 0.00 1.00 -ATOM 613 C9t TOP 1 1 11.666 3.545 10.050 0.00 1.00 -ATOM 614 C9u TOP 1 1 11.666 3.545 13.400 0.00 1.00 -ATOM 615 C9v TOP 1 1 11.666 3.545 16.750 0.00 1.00 -ATOM 616 C9w TOP 1 1 10.438 5.672 10.050 0.00 1.00 -ATOM 617 C9x TOP 1 1 10.438 5.672 13.400 0.00 1.00 -ATOM 618 C9y TOP 1 1 10.438 5.672 16.750 0.00 1.00 -ATOM 619 C9z TOP 1 1 9.210 7.799 10.050 0.00 1.00 -ATOM 620 CA0 TOP 1 1 9.210 7.799 13.400 0.00 1.00 -ATOM 621 CA1 TOP 1 1 9.210 7.799 16.750 0.00 1.00 -ATOM 622 CA2 TOP 1 1 7.982 9.926 10.050 0.00 1.00 -ATOM 623 CA3 TOP 1 1 7.982 9.926 13.400 0.00 1.00 -ATOM 624 CA4 TOP 1 1 7.982 9.926 16.750 0.00 1.00 -ATOM 625 CA5 TOP 1 1 6.754 12.053 10.050 0.00 1.00 -ATOM 626 CA6 TOP 1 1 6.754 12.053 13.400 0.00 1.00 -ATOM 627 CA7 TOP 1 1 6.754 12.053 16.750 0.00 1.00 -ATOM 628 CA8 TOP 1 1 5.526 14.180 10.050 0.00 1.00 -ATOM 629 CA9 TOP 1 1 5.526 14.180 13.400 0.00 1.00 -ATOM 630 CAA TOP 1 1 5.526 14.180 16.750 0.00 1.00 -ATOM 631 CAB TOP 1 1 23.946 16.306 10.050 0.00 1.00 -ATOM 632 CAC TOP 1 1 23.946 16.306 13.400 0.00 1.00 -ATOM 633 CAD TOP 1 1 23.946 16.306 16.750 0.00 1.00 -ATOM 634 CAE TOP 1 1 22.718 18.433 10.050 0.00 1.00 -ATOM 635 CAF TOP 1 1 22.718 18.433 13.400 0.00 1.00 -ATOM 636 CAG TOP 1 1 22.718 18.433 16.750 0.00 1.00 -ATOM 637 CAH TOP 1 1 21.490 20.560 10.050 0.00 1.00 -ATOM 638 CAI TOP 1 1 21.490 20.560 13.400 0.00 1.00 -ATOM 639 CAJ TOP 1 1 21.490 20.560 16.750 0.00 1.00 -ATOM 640 CAK TOP 1 1 20.262 22.687 10.050 0.00 1.00 -ATOM 641 CAL TOP 1 1 20.262 22.687 13.400 0.00 1.00 -ATOM 642 CAM TOP 1 1 20.262 22.687 16.750 0.00 1.00 -ATOM 643 CAN TOP 1 1 19.034 24.814 10.050 0.00 1.00 -ATOM 644 CAO TOP 1 1 19.034 24.814 13.400 0.00 1.00 -ATOM 645 CAP TOP 1 1 19.034 24.814 16.750 0.00 1.00 -ATOM 646 CAQ TOP 1 1 17.806 26.941 10.050 0.00 1.00 -ATOM 647 CAR TOP 1 1 17.806 26.941 13.400 0.00 1.00 -ATOM 648 CAS TOP 1 1 17.806 26.941 16.750 0.00 1.00 -ATOM 649 CAT TOP 1 1 16.578 29.068 10.050 0.00 1.00 -ATOM 650 CAU TOP 1 1 16.578 29.068 13.400 0.00 1.00 -ATOM 651 CAV TOP 1 1 16.578 29.068 16.750 0.00 1.00 -ATOM 652 CAW TOP 1 1 15.350 1.418 10.050 0.00 1.00 -ATOM 653 CAX TOP 1 1 15.350 1.418 13.400 0.00 1.00 -ATOM 654 CAY TOP 1 1 15.350 1.418 16.750 0.00 1.00 -ATOM 655 CAZ TOP 1 1 14.122 3.545 10.050 0.00 1.00 -ATOM 656 CAa TOP 1 1 14.122 3.545 13.400 0.00 1.00 -ATOM 657 CAb TOP 1 1 14.122 3.545 16.750 0.00 1.00 -ATOM 658 CAc TOP 1 1 12.894 5.672 10.050 0.00 1.00 -ATOM 659 CAd TOP 1 1 12.894 5.672 13.400 0.00 1.00 -ATOM 660 CAe TOP 1 1 12.894 5.672 16.750 0.00 1.00 -ATOM 661 CAf TOP 1 1 11.666 7.799 10.050 0.00 1.00 -ATOM 662 CAg TOP 1 1 11.666 7.799 13.400 0.00 1.00 -ATOM 663 CAh TOP 1 1 11.666 7.799 16.750 0.00 1.00 -ATOM 664 CAi TOP 1 1 10.438 9.926 10.050 0.00 1.00 -ATOM 665 CAj TOP 1 1 10.438 9.926 13.400 0.00 1.00 -ATOM 666 CAk TOP 1 1 10.438 9.926 16.750 0.00 1.00 -ATOM 667 CAl TOP 1 1 9.210 12.053 10.050 0.00 1.00 -ATOM 668 CAm TOP 1 1 9.210 12.053 13.400 0.00 1.00 -ATOM 669 CAn TOP 1 1 9.210 12.053 16.750 0.00 1.00 -ATOM 670 CAo TOP 1 1 7.982 14.180 10.050 0.00 1.00 -ATOM 671 CAp TOP 1 1 7.982 14.180 13.400 0.00 1.00 -ATOM 672 CAq TOP 1 1 7.982 14.180 16.750 0.00 1.00 -ATOM 673 CAr TOP 1 1 26.402 16.306 10.050 0.00 1.00 -ATOM 674 CAs TOP 1 1 26.402 16.306 13.400 0.00 1.00 -ATOM 675 CAt TOP 1 1 26.402 16.306 16.750 0.00 1.00 -ATOM 676 CAu TOP 1 1 25.174 18.433 10.050 0.00 1.00 -ATOM 677 CAv TOP 1 1 25.174 18.433 13.400 0.00 1.00 -ATOM 678 CAw TOP 1 1 25.174 18.433 16.750 0.00 1.00 -ATOM 679 CAx TOP 1 1 23.946 20.560 10.050 0.00 1.00 -ATOM 680 CAy TOP 1 1 23.946 20.560 13.400 0.00 1.00 -ATOM 681 CAz TOP 1 1 23.946 20.560 16.750 0.00 1.00 -ATOM 682 CB0 TOP 1 1 22.718 22.687 10.050 0.00 1.00 -ATOM 683 CB1 TOP 1 1 22.718 22.687 13.400 0.00 1.00 -ATOM 684 CB2 TOP 1 1 22.718 22.687 16.750 0.00 1.00 -ATOM 685 CB3 TOP 1 1 21.490 24.814 10.050 0.00 1.00 -ATOM 686 CB4 TOP 1 1 21.490 24.814 13.400 0.00 1.00 -ATOM 687 CB5 TOP 1 1 21.490 24.814 16.750 0.00 1.00 -ATOM 688 CB6 TOP 1 1 20.262 26.941 10.050 0.00 1.00 -ATOM 689 CB7 TOP 1 1 20.262 26.941 13.400 0.00 1.00 -ATOM 690 CB8 TOP 1 1 20.262 26.941 16.750 0.00 1.00 -ATOM 691 CB9 TOP 1 1 19.034 29.068 10.050 0.00 1.00 -ATOM 692 CBA TOP 1 1 19.034 29.068 13.400 0.00 1.00 -ATOM 693 CBB TOP 1 1 19.034 29.068 16.750 0.00 1.00 -ATOM 694 CBC TOP 1 1 17.806 1.418 10.050 0.00 1.00 -ATOM 695 CBD TOP 1 1 17.806 1.418 13.400 0.00 1.00 -ATOM 696 CBE TOP 1 1 17.806 1.418 16.750 0.00 1.00 -ATOM 697 CBF TOP 1 1 16.578 3.545 10.050 0.00 1.00 -ATOM 698 CBG TOP 1 1 16.578 3.545 13.400 0.00 1.00 -ATOM 699 CBH TOP 1 1 16.578 3.545 16.750 0.00 1.00 -ATOM 700 CBI TOP 1 1 15.350 5.672 10.050 0.00 1.00 -ATOM 701 CBJ TOP 1 1 15.350 5.672 13.400 0.00 1.00 -ATOM 702 CBK TOP 1 1 15.350 5.672 16.750 0.00 1.00 -ATOM 703 CBL TOP 1 1 14.122 7.799 10.050 0.00 1.00 -ATOM 704 CBM TOP 1 1 14.122 7.799 13.400 0.00 1.00 -ATOM 705 CBN TOP 1 1 14.122 7.799 16.750 0.00 1.00 -ATOM 706 CBO TOP 1 1 12.894 9.926 10.050 0.00 1.00 -ATOM 707 CBP TOP 1 1 12.894 9.926 13.400 0.00 1.00 -ATOM 708 CBQ TOP 1 1 12.894 9.926 16.750 0.00 1.00 -ATOM 709 CBR TOP 1 1 11.666 12.053 10.050 0.00 1.00 -ATOM 710 CBS TOP 1 1 11.666 12.053 13.400 0.00 1.00 -ATOM 711 CBT TOP 1 1 11.666 12.053 16.750 0.00 1.00 -ATOM 712 CBU TOP 1 1 10.438 14.180 10.050 0.00 1.00 -ATOM 713 CBV TOP 1 1 10.438 14.180 13.400 0.00 1.00 -ATOM 714 CBW TOP 1 1 10.438 14.180 16.750 0.00 1.00 -ATOM 715 CBX TOP 1 1 28.858 16.306 10.050 0.00 1.00 -ATOM 716 CBY TOP 1 1 28.858 16.306 13.400 0.00 1.00 -ATOM 717 CBZ TOP 1 1 28.858 16.306 16.750 0.00 1.00 -ATOM 718 CBa TOP 1 1 27.630 18.433 10.050 0.00 1.00 -ATOM 719 CBb TOP 1 1 27.630 18.433 13.400 0.00 1.00 -ATOM 720 CBc TOP 1 1 27.630 18.433 16.750 0.00 1.00 -ATOM 721 CBd TOP 1 1 26.402 20.560 10.050 0.00 1.00 -ATOM 722 CBe TOP 1 1 26.402 20.560 13.400 0.00 1.00 -ATOM 723 CBf TOP 1 1 26.402 20.560 16.750 0.00 1.00 -ATOM 724 CBg TOP 1 1 25.174 22.687 10.050 0.00 1.00 -ATOM 725 CBh TOP 1 1 25.174 22.687 13.400 0.00 1.00 -ATOM 726 CBi TOP 1 1 25.174 22.687 16.750 0.00 1.00 -ATOM 727 CBj TOP 1 1 23.946 24.814 10.050 0.00 1.00 -ATOM 728 CBk TOP 1 1 23.946 24.814 13.400 0.00 1.00 -ATOM 729 CBl TOP 1 1 23.946 24.814 16.750 0.00 1.00 -ATOM 730 CBm TOP 1 1 22.718 26.941 10.050 0.00 1.00 -ATOM 731 CBn TOP 1 1 22.718 26.941 13.400 0.00 1.00 -ATOM 732 CBo TOP 1 1 22.718 26.941 16.750 0.00 1.00 -ATOM 733 CBp TOP 1 1 21.490 29.068 10.050 0.00 1.00 -ATOM 734 CBq TOP 1 1 21.490 29.068 13.400 0.00 1.00 -ATOM 735 CBr TOP 1 1 21.490 29.068 16.750 0.00 1.00 -ATOM 736 CBs TOP 1 1 20.262 1.418 10.050 0.00 1.00 -ATOM 737 CBt TOP 1 1 20.262 1.418 13.400 0.00 1.00 -ATOM 738 CBu TOP 1 1 20.262 1.418 16.750 0.00 1.00 -ATOM 739 CBv TOP 1 1 19.034 3.545 10.050 0.00 1.00 -ATOM 740 CBw TOP 1 1 19.034 3.545 13.400 0.00 1.00 -ATOM 741 CBx TOP 1 1 19.034 3.545 16.750 0.00 1.00 -ATOM 742 CBy TOP 1 1 17.806 5.672 10.050 0.00 1.00 -ATOM 743 CBz TOP 1 1 17.806 5.672 13.400 0.00 1.00 -ATOM 744 CC0 TOP 1 1 17.806 5.672 16.750 0.00 1.00 -ATOM 745 CC1 TOP 1 1 16.578 7.799 10.050 0.00 1.00 -ATOM 746 CC2 TOP 1 1 16.578 7.799 13.400 0.00 1.00 -ATOM 747 CC3 TOP 1 1 16.578 7.799 16.750 0.00 1.00 -ATOM 748 CC4 TOP 1 1 15.350 9.926 10.050 0.00 1.00 -ATOM 749 CC5 TOP 1 1 15.350 9.926 13.400 0.00 1.00 -ATOM 750 CC6 TOP 1 1 15.350 9.926 16.750 0.00 1.00 -ATOM 751 CC7 TOP 1 1 14.122 12.053 10.050 0.00 1.00 -ATOM 752 CC8 TOP 1 1 14.122 12.053 13.400 0.00 1.00 -ATOM 753 CC9 TOP 1 1 14.122 12.053 16.750 0.00 1.00 -ATOM 754 CCA TOP 1 1 12.894 14.180 10.050 0.00 1.00 -ATOM 755 CCB TOP 1 1 12.894 14.180 13.400 0.00 1.00 -ATOM 756 CCC TOP 1 1 12.894 14.180 16.750 0.00 1.00 -ATOM 757 CCD TOP 1 1 1.842 16.306 10.050 0.00 1.00 -ATOM 758 CCE TOP 1 1 1.842 16.306 13.400 0.00 1.00 -ATOM 759 CCF TOP 1 1 1.842 16.306 16.750 0.00 1.00 -ATOM 760 CCG TOP 1 1 0.614 18.433 10.050 0.00 1.00 -ATOM 761 CCH TOP 1 1 0.614 18.433 13.400 0.00 1.00 -ATOM 762 CCI TOP 1 1 0.614 18.433 16.750 0.00 1.00 -ATOM 763 CCJ TOP 1 1 28.858 20.560 10.050 0.00 1.00 -ATOM 764 CCK TOP 1 1 28.858 20.560 13.400 0.00 1.00 -ATOM 765 CCL TOP 1 1 28.858 20.560 16.750 0.00 1.00 -ATOM 766 CCM TOP 1 1 27.630 22.687 10.050 0.00 1.00 -ATOM 767 CCN TOP 1 1 27.630 22.687 13.400 0.00 1.00 -ATOM 768 CCO TOP 1 1 27.630 22.687 16.750 0.00 1.00 -ATOM 769 CCP TOP 1 1 26.402 24.814 10.050 0.00 1.00 -ATOM 770 CCQ TOP 1 1 26.402 24.814 13.400 0.00 1.00 -ATOM 771 CCR TOP 1 1 26.402 24.814 16.750 0.00 1.00 -ATOM 772 CCS TOP 1 1 25.174 26.941 10.050 0.00 1.00 -ATOM 773 CCT TOP 1 1 25.174 26.941 13.400 0.00 1.00 -ATOM 774 CCU TOP 1 1 25.174 26.941 16.750 0.00 1.00 -ATOM 775 CCV TOP 1 1 23.946 29.068 10.050 0.00 1.00 -ATOM 776 CCW TOP 1 1 23.946 29.068 13.400 0.00 1.00 -ATOM 777 CCX TOP 1 1 23.946 29.068 16.750 0.00 1.00 -ATOM 778 CCY TOP 1 1 22.718 1.418 10.050 0.00 1.00 -ATOM 779 CCZ TOP 1 1 22.718 1.418 13.400 0.00 1.00 -ATOM 780 CCa TOP 1 1 22.718 1.418 16.750 0.00 1.00 -ATOM 781 CCb TOP 1 1 21.490 3.545 10.050 0.00 1.00 -ATOM 782 CCc TOP 1 1 21.490 3.545 13.400 0.00 1.00 -ATOM 783 CCd TOP 1 1 21.490 3.545 16.750 0.00 1.00 -ATOM 784 CCe TOP 1 1 20.262 5.672 10.050 0.00 1.00 -ATOM 785 CCf TOP 1 1 20.262 5.672 13.400 0.00 1.00 -ATOM 786 CCg TOP 1 1 20.262 5.672 16.750 0.00 1.00 -ATOM 787 CCh TOP 1 1 19.034 7.799 10.050 0.00 1.00 -ATOM 788 CCi TOP 1 1 19.034 7.799 13.400 0.00 1.00 -ATOM 789 CCj TOP 1 1 19.034 7.799 16.750 0.00 1.00 -ATOM 790 CCk TOP 1 1 17.806 9.926 10.050 0.00 1.00 -ATOM 791 CCl TOP 1 1 17.806 9.926 13.400 0.00 1.00 -ATOM 792 CCm TOP 1 1 17.806 9.926 16.750 0.00 1.00 -ATOM 793 CCn TOP 1 1 16.578 12.053 10.050 0.00 1.00 -ATOM 794 CCo TOP 1 1 16.578 12.053 13.400 0.00 1.00 -ATOM 795 CCp TOP 1 1 16.578 12.053 16.750 0.00 1.00 -ATOM 796 CCq TOP 1 1 15.350 14.180 10.050 0.00 1.00 -ATOM 797 CCr TOP 1 1 15.350 14.180 13.400 0.00 1.00 -ATOM 798 CCs TOP 1 1 15.350 14.180 16.750 0.00 1.00 -ATOM 799 CCt TOP 1 1 4.298 16.306 10.050 0.00 1.00 -ATOM 800 CCu TOP 1 1 4.298 16.306 13.400 0.00 1.00 -ATOM 801 CCv TOP 1 1 4.298 16.306 16.750 0.00 1.00 -ATOM 802 CCw TOP 1 1 3.070 18.433 10.050 0.00 1.00 -ATOM 803 CCx TOP 1 1 3.070 18.433 13.400 0.00 1.00 -ATOM 804 CCy TOP 1 1 3.070 18.433 16.750 0.00 1.00 -ATOM 805 CCz TOP 1 1 1.842 20.560 10.050 0.00 1.00 -ATOM 806 CD0 TOP 1 1 1.842 20.560 13.400 0.00 1.00 -ATOM 807 CD1 TOP 1 1 1.842 20.560 16.750 0.00 1.00 -ATOM 808 CD2 TOP 1 1 0.614 22.687 10.050 0.00 1.00 -ATOM 809 CD3 TOP 1 1 0.614 22.687 13.400 0.00 1.00 -ATOM 810 CD4 TOP 1 1 0.614 22.687 16.750 0.00 1.00 -ATOM 811 CD5 TOP 1 1 28.858 24.814 10.050 0.00 1.00 -ATOM 812 CD6 TOP 1 1 28.858 24.814 13.400 0.00 1.00 -ATOM 813 CD7 TOP 1 1 28.858 24.814 16.750 0.00 1.00 -ATOM 814 CD8 TOP 1 1 27.630 26.941 10.050 0.00 1.00 -ATOM 815 CD9 TOP 1 1 27.630 26.941 13.400 0.00 1.00 -ATOM 816 CDA TOP 1 1 27.630 26.941 16.750 0.00 1.00 -ATOM 817 CDB TOP 1 1 26.402 29.068 10.050 0.00 1.00 -ATOM 818 CDC TOP 1 1 26.402 29.068 13.400 0.00 1.00 -ATOM 819 CDD TOP 1 1 26.402 29.068 16.750 0.00 1.00 -ATOM 820 CDE TOP 1 1 25.174 1.418 10.050 0.00 1.00 -ATOM 821 CDF TOP 1 1 25.174 1.418 13.400 0.00 1.00 -ATOM 822 CDG TOP 1 1 25.174 1.418 16.750 0.00 1.00 -ATOM 823 CDH TOP 1 1 23.946 3.545 10.050 0.00 1.00 -ATOM 824 CDI TOP 1 1 23.946 3.545 13.400 0.00 1.00 -ATOM 825 CDJ TOP 1 1 23.946 3.545 16.750 0.00 1.00 -ATOM 826 CDK TOP 1 1 22.718 5.672 10.050 0.00 1.00 -ATOM 827 CDL TOP 1 1 22.718 5.672 13.400 0.00 1.00 -ATOM 828 CDM TOP 1 1 22.718 5.672 16.750 0.00 1.00 -ATOM 829 CDN TOP 1 1 21.490 7.799 10.050 0.00 1.00 -ATOM 830 CDO TOP 1 1 21.490 7.799 13.400 0.00 1.00 -ATOM 831 CDP TOP 1 1 21.490 7.799 16.750 0.00 1.00 -ATOM 832 CDQ TOP 1 1 20.262 9.926 10.050 0.00 1.00 -ATOM 833 CDR TOP 1 1 20.262 9.926 13.400 0.00 1.00 -ATOM 834 CDS TOP 1 1 20.262 9.926 16.750 0.00 1.00 -ATOM 835 CDT TOP 1 1 19.034 12.053 10.050 0.00 1.00 -ATOM 836 CDU TOP 1 1 19.034 12.053 13.400 0.00 1.00 -ATOM 837 CDV TOP 1 1 19.034 12.053 16.750 0.00 1.00 -ATOM 838 CDW TOP 1 1 17.806 14.180 10.050 0.00 1.00 -ATOM 839 CDX TOP 1 1 17.806 14.180 13.400 0.00 1.00 -ATOM 840 CDY TOP 1 1 17.806 14.180 16.750 0.00 1.00 -ATOM 841 CDZ TOP 1 1 6.754 16.306 10.050 0.00 1.00 -ATOM 842 CDa TOP 1 1 6.754 16.306 13.400 0.00 1.00 -ATOM 843 CDb TOP 1 1 6.754 16.306 16.750 0.00 1.00 -ATOM 844 CDc TOP 1 1 5.526 18.433 10.050 0.00 1.00 -ATOM 845 CDd TOP 1 1 5.526 18.433 13.400 0.00 1.00 -ATOM 846 CDe TOP 1 1 5.526 18.433 16.750 0.00 1.00 -ATOM 847 CDf TOP 1 1 4.298 20.560 10.050 0.00 1.00 -ATOM 848 CDg TOP 1 1 4.298 20.560 13.400 0.00 1.00 -ATOM 849 CDh TOP 1 1 4.298 20.560 16.750 0.00 1.00 -ATOM 850 CDi TOP 1 1 3.070 22.687 10.050 0.00 1.00 -ATOM 851 CDj TOP 1 1 3.070 22.687 13.400 0.00 1.00 -ATOM 852 CDk TOP 1 1 3.070 22.687 16.750 0.00 1.00 -ATOM 853 CDl TOP 1 1 1.842 24.814 10.050 0.00 1.00 -ATOM 854 CDm TOP 1 1 1.842 24.814 13.400 0.00 1.00 -ATOM 855 CDn TOP 1 1 1.842 24.814 16.750 0.00 1.00 -ATOM 856 CDo TOP 1 1 0.614 26.941 10.050 0.00 1.00 -ATOM 857 CDp TOP 1 1 0.614 26.941 13.400 0.00 1.00 -ATOM 858 CDq TOP 1 1 0.614 26.941 16.750 0.00 1.00 -ATOM 859 CDr TOP 1 1 28.858 29.068 10.050 0.00 1.00 -ATOM 860 CDs TOP 1 1 28.858 29.068 13.400 0.00 1.00 -ATOM 861 CDt TOP 1 1 28.858 29.068 16.750 0.00 1.00 -ATOM 862 CDu TOP 1 1 27.630 1.418 10.050 0.00 1.00 -ATOM 863 CDv TOP 1 1 27.630 1.418 13.400 0.00 1.00 -ATOM 864 CDw TOP 1 1 27.630 1.418 16.750 0.00 1.00 -ATOM 865 CDx TOP 1 1 26.402 3.545 10.050 0.00 1.00 -ATOM 866 CDy TOP 1 1 26.402 3.545 13.400 0.00 1.00 -ATOM 867 CDz TOP 1 1 26.402 3.545 16.750 0.00 1.00 -ATOM 868 CE0 TOP 1 1 25.174 5.672 10.050 0.00 1.00 -ATOM 869 CE1 TOP 1 1 25.174 5.672 13.400 0.00 1.00 -ATOM 870 CE2 TOP 1 1 25.174 5.672 16.750 0.00 1.00 -ATOM 871 CE3 TOP 1 1 23.946 7.799 10.050 0.00 1.00 -ATOM 872 CE4 TOP 1 1 23.946 7.799 13.400 0.00 1.00 -ATOM 873 CE5 TOP 1 1 23.946 7.799 16.750 0.00 1.00 -ATOM 874 CE6 TOP 1 1 22.718 9.926 10.050 0.00 1.00 -ATOM 875 CE7 TOP 1 1 22.718 9.926 13.400 0.00 1.00 -ATOM 876 CE8 TOP 1 1 22.718 9.926 16.750 0.00 1.00 -ATOM 877 CE9 TOP 1 1 21.490 12.053 10.050 0.00 1.00 -ATOM 878 CEA TOP 1 1 21.490 12.053 13.400 0.00 1.00 -ATOM 879 CEB TOP 1 1 21.490 12.053 16.750 0.00 1.00 -ATOM 880 CEC TOP 1 1 20.262 14.180 10.050 0.00 1.00 -ATOM 881 CED TOP 1 1 20.262 14.180 13.400 0.00 1.00 -ATOM 882 CEE TOP 1 1 20.262 14.180 16.750 0.00 1.00 -ATOM 883 CEF TOP 1 1 9.210 16.306 10.050 0.00 1.00 -ATOM 884 CEG TOP 1 1 9.210 16.306 13.400 0.00 1.00 -ATOM 885 CEH TOP 1 1 9.210 16.306 16.750 0.00 1.00 -ATOM 886 CEI TOP 1 1 7.982 18.433 10.050 0.00 1.00 -ATOM 887 CEJ TOP 1 1 7.982 18.433 13.400 0.00 1.00 -ATOM 888 CEK TOP 1 1 7.982 18.433 16.750 0.00 1.00 -ATOM 889 CEL TOP 1 1 6.754 20.560 10.050 0.00 1.00 -ATOM 890 CEM TOP 1 1 6.754 20.560 13.400 0.00 1.00 -ATOM 891 CEN TOP 1 1 6.754 20.560 16.750 0.00 1.00 -ATOM 892 CEO TOP 1 1 5.526 22.687 10.050 0.00 1.00 -ATOM 893 CEP TOP 1 1 5.526 22.687 13.400 0.00 1.00 -ATOM 894 CEQ TOP 1 1 5.526 22.687 16.750 0.00 1.00 -ATOM 895 CER TOP 1 1 4.298 24.814 10.050 0.00 1.00 -ATOM 896 CES TOP 1 1 4.298 24.814 13.400 0.00 1.00 -ATOM 897 CET TOP 1 1 4.298 24.814 16.750 0.00 1.00 -ATOM 898 CEU TOP 1 1 3.070 26.941 10.050 0.00 1.00 -ATOM 899 CEV TOP 1 1 3.070 26.941 13.400 0.00 1.00 -ATOM 900 CEW TOP 1 1 3.070 26.941 16.750 0.00 1.00 -ATOM 901 CEX TOP 1 1 1.842 29.068 10.050 0.00 1.00 -ATOM 902 CEY TOP 1 1 1.842 29.068 13.400 0.00 1.00 -ATOM 903 CEZ TOP 1 1 1.842 29.068 16.750 0.00 1.00 -ATOM 904 CEa TOP 1 1 0.614 1.418 10.050 0.00 1.00 -ATOM 905 CEb TOP 1 1 0.614 1.418 13.400 0.00 1.00 -ATOM 906 CEc TOP 1 1 0.614 1.418 16.750 0.00 1.00 -ATOM 907 CEd TOP 1 1 28.858 3.545 10.050 0.00 1.00 -ATOM 908 CEe TOP 1 1 28.858 3.545 13.400 0.00 1.00 -ATOM 909 CEf TOP 1 1 28.858 3.545 16.750 0.00 1.00 -ATOM 910 CEg TOP 1 1 27.630 5.672 10.050 0.00 1.00 -ATOM 911 CEh TOP 1 1 27.630 5.672 13.400 0.00 1.00 -ATOM 912 CEi TOP 1 1 27.630 5.672 16.750 0.00 1.00 -ATOM 913 CEj TOP 1 1 26.402 7.799 10.050 0.00 1.00 -ATOM 914 CEk TOP 1 1 26.402 7.799 13.400 0.00 1.00 -ATOM 915 CEl TOP 1 1 26.402 7.799 16.750 0.00 1.00 -ATOM 916 CEm TOP 1 1 25.174 9.926 10.050 0.00 1.00 -ATOM 917 CEn TOP 1 1 25.174 9.926 13.400 0.00 1.00 -ATOM 918 CEo TOP 1 1 25.174 9.926 16.750 0.00 1.00 -ATOM 919 CEp TOP 1 1 23.946 12.053 10.050 0.00 1.00 -ATOM 920 CEq TOP 1 1 23.946 12.053 13.400 0.00 1.00 -ATOM 921 CEr TOP 1 1 23.946 12.053 16.750 0.00 1.00 -ATOM 922 CEs TOP 1 1 22.718 14.180 10.050 0.00 1.00 -ATOM 923 CEt TOP 1 1 22.718 14.180 13.400 0.00 1.00 -ATOM 924 CEu TOP 1 1 22.718 14.180 16.750 0.00 1.00 -ATOM 925 CEv TOP 1 1 11.666 16.306 10.050 0.00 1.00 -ATOM 926 CEw TOP 1 1 11.666 16.306 13.400 0.00 1.00 -ATOM 927 CEx TOP 1 1 11.666 16.306 16.750 0.00 1.00 -ATOM 928 CEy TOP 1 1 10.438 18.433 10.050 0.00 1.00 -ATOM 929 CEz TOP 1 1 10.438 18.433 13.400 0.00 1.00 -ATOM 930 CF0 TOP 1 1 10.438 18.433 16.750 0.00 1.00 -ATOM 931 CF1 TOP 1 1 9.210 20.560 10.050 0.00 1.00 -ATOM 932 CF2 TOP 1 1 9.210 20.560 13.400 0.00 1.00 -ATOM 933 CF3 TOP 1 1 9.210 20.560 16.750 0.00 1.00 -ATOM 934 CF4 TOP 1 1 7.982 22.687 10.050 0.00 1.00 -ATOM 935 CF5 TOP 1 1 7.982 22.687 13.400 0.00 1.00 -ATOM 936 CF6 TOP 1 1 7.982 22.687 16.750 0.00 1.00 -ATOM 937 CF7 TOP 1 1 6.754 24.814 10.050 0.00 1.00 -ATOM 938 CF8 TOP 1 1 6.754 24.814 13.400 0.00 1.00 -ATOM 939 CF9 TOP 1 1 6.754 24.814 16.750 0.00 1.00 -ATOM 940 CFA TOP 1 1 5.526 26.941 10.050 0.00 1.00 -ATOM 941 CFB TOP 1 1 5.526 26.941 13.400 0.00 1.00 -ATOM 942 CFC TOP 1 1 5.526 26.941 16.750 0.00 1.00 -ATOM 943 CFD TOP 1 1 4.298 29.068 10.050 0.00 1.00 -ATOM 944 CFE TOP 1 1 4.298 29.068 13.400 0.00 1.00 -ATOM 945 CFF TOP 1 1 4.298 29.068 16.750 0.00 1.00 -ATOM 946 CFG TOP 1 1 3.070 1.418 10.050 0.00 1.00 -ATOM 947 CFH TOP 1 1 3.070 1.418 13.400 0.00 1.00 -ATOM 948 CFI TOP 1 1 3.070 1.418 16.750 0.00 1.00 -ATOM 949 CFJ TOP 1 1 1.842 3.545 10.050 0.00 1.00 -ATOM 950 CFK TOP 1 1 1.842 3.545 13.400 0.00 1.00 -ATOM 951 CFL TOP 1 1 1.842 3.545 16.750 0.00 1.00 -ATOM 952 CFM TOP 1 1 0.614 5.672 10.050 0.00 1.00 -ATOM 953 CFN TOP 1 1 0.614 5.672 13.400 0.00 1.00 -ATOM 954 CFO TOP 1 1 0.614 5.672 16.750 0.00 1.00 -ATOM 955 CFP TOP 1 1 28.858 7.799 10.050 0.00 1.00 -ATOM 956 CFQ TOP 1 1 28.858 7.799 13.400 0.00 1.00 -ATOM 957 CFR TOP 1 1 28.858 7.799 16.750 0.00 1.00 -ATOM 958 CFS TOP 1 1 27.630 9.926 10.050 0.00 1.00 -ATOM 959 CFT TOP 1 1 27.630 9.926 13.400 0.00 1.00 -ATOM 960 CFU TOP 1 1 27.630 9.926 16.750 0.00 1.00 -ATOM 961 CFV TOP 1 1 26.402 12.053 10.050 0.00 1.00 -ATOM 962 CFW TOP 1 1 26.402 12.053 13.400 0.00 1.00 -ATOM 963 CFX TOP 1 1 26.402 12.053 16.750 0.00 1.00 -ATOM 964 CFY TOP 1 1 25.174 14.180 10.050 0.00 1.00 -ATOM 965 CFZ TOP 1 1 25.174 14.180 13.400 0.00 1.00 -ATOM 966 CFa TOP 1 1 25.174 14.180 16.750 0.00 1.00 -ATOM 967 CFb TOP 1 1 14.122 16.306 10.050 0.00 1.00 -ATOM 968 CFc TOP 1 1 14.122 16.306 13.400 0.00 1.00 -ATOM 969 CFd TOP 1 1 14.122 16.306 16.750 0.00 1.00 -ATOM 970 CFe TOP 1 1 12.894 18.433 10.050 0.00 1.00 -ATOM 971 CFf TOP 1 1 12.894 18.433 13.400 0.00 1.00 -ATOM 972 CFg TOP 1 1 12.894 18.433 16.750 0.00 1.00 -ATOM 973 CFh TOP 1 1 11.666 20.560 10.050 0.00 1.00 -ATOM 974 CFi TOP 1 1 11.666 20.560 13.400 0.00 1.00 -ATOM 975 CFj TOP 1 1 11.666 20.560 16.750 0.00 1.00 -ATOM 976 CFk TOP 1 1 10.438 22.687 10.050 0.00 1.00 -ATOM 977 CFl TOP 1 1 10.438 22.687 13.400 0.00 1.00 -ATOM 978 CFm TOP 1 1 10.438 22.687 16.750 0.00 1.00 -ATOM 979 CFn TOP 1 1 9.210 24.814 10.050 0.00 1.00 -ATOM 980 CFo TOP 1 1 9.210 24.814 13.400 0.00 1.00 -ATOM 981 CFp TOP 1 1 9.210 24.814 16.750 0.00 1.00 -ATOM 982 CFq TOP 1 1 7.982 26.941 10.050 0.00 1.00 -ATOM 983 CFr TOP 1 1 7.982 26.941 13.400 0.00 1.00 -ATOM 984 CFs TOP 1 1 7.982 26.941 16.750 0.00 1.00 -ATOM 985 CFt TOP 1 1 6.754 29.068 10.050 0.00 1.00 -ATOM 986 CFu TOP 1 1 6.754 29.068 13.400 0.00 1.00 -ATOM 987 CFv TOP 1 1 6.754 29.068 16.750 0.00 1.00 -ATOM 988 CFw TOP 1 1 5.526 1.418 10.050 0.00 1.00 -ATOM 989 CFx TOP 1 1 5.526 1.418 13.400 0.00 1.00 -ATOM 990 CFy TOP 1 1 5.526 1.418 16.750 0.00 1.00 -ATOM 991 CFz TOP 1 1 4.298 3.545 10.050 0.00 1.00 -ATOM 992 CG0 TOP 1 1 4.298 3.545 13.400 0.00 1.00 -ATOM 993 CG1 TOP 1 1 4.298 3.545 16.750 0.00 1.00 -ATOM 994 CG2 TOP 1 1 3.070 5.672 10.050 0.00 1.00 -ATOM 995 CG3 TOP 1 1 3.070 5.672 13.400 0.00 1.00 -ATOM 996 CG4 TOP 1 1 3.070 5.672 16.750 0.00 1.00 -ATOM 997 CG5 TOP 1 1 1.842 7.799 10.050 0.00 1.00 -ATOM 998 CG6 TOP 1 1 1.842 7.799 13.400 0.00 1.00 -ATOM 999 CG7 TOP 1 1 1.842 7.799 16.750 0.00 1.00 -ATOM 1000 CG8 TOP 1 1 0.614 9.926 10.050 0.00 1.00 -ATOM 1001 CG9 TOP 1 1 0.614 9.926 13.400 0.00 1.00 -ATOM 1002 CGA TOP 1 1 0.614 9.926 16.750 0.00 1.00 -ATOM 1003 CGB TOP 1 1 28.858 12.053 10.050 0.00 1.00 -ATOM 1004 CGC TOP 1 1 28.858 12.053 13.400 0.00 1.00 -ATOM 1005 CGD TOP 1 1 28.858 12.053 16.750 0.00 1.00 -ATOM 1006 CGE TOP 1 1 27.630 14.180 10.050 0.00 1.00 -ATOM 1007 CGF TOP 1 1 27.630 14.180 13.400 0.00 1.00 -ATOM 1008 CGG TOP 1 1 27.630 14.180 16.750 0.00 1.00 -ATOM 1009 C1 BOT 1 2 15.350 15.597 0.000 0.00 1.00 -ATOM 1010 C2 BOT 1 2 15.350 15.597 3.350 0.00 1.00 -ATOM 1011 C3 BOT 1 2 15.350 15.597 6.700 0.00 1.00 -ATOM 1012 C4 BOT 1 2 14.122 17.724 0.000 0.00 1.00 -ATOM 1013 C5 BOT 1 2 14.122 17.724 3.350 0.00 1.00 -ATOM 1014 C6 BOT 1 2 14.122 17.724 6.700 0.00 1.00 -ATOM 1015 C7 BOT 1 2 12.894 19.851 0.000 0.00 1.00 -ATOM 1016 C8 BOT 1 2 12.894 19.851 3.350 0.00 1.00 -ATOM 1017 C9 BOT 1 2 12.894 19.851 6.700 0.00 1.00 -ATOM 1018 CA BOT 1 2 11.666 21.978 0.000 0.00 1.00 -ATOM 1019 CB BOT 1 2 11.666 21.978 3.350 0.00 1.00 -ATOM 1020 CC BOT 1 2 11.666 21.978 6.700 0.00 1.00 -ATOM 1021 CD BOT 1 2 10.438 24.105 0.000 0.00 1.00 -ATOM 1022 CE BOT 1 2 10.438 24.105 3.350 0.00 1.00 -ATOM 1023 CF BOT 1 2 10.438 24.105 6.700 0.00 1.00 -ATOM 1024 CG BOT 1 2 9.210 26.232 0.000 0.00 1.00 -ATOM 1025 CH BOT 1 2 9.210 26.232 3.350 0.00 1.00 -ATOM 1026 CI BOT 1 2 9.210 26.232 6.700 0.00 1.00 -ATOM 1027 CJ BOT 1 2 7.982 28.359 0.000 0.00 1.00 -ATOM 1028 CK BOT 1 2 7.982 28.359 3.350 0.00 1.00 -ATOM 1029 CL BOT 1 2 7.982 28.359 6.700 0.00 1.00 -ATOM 1030 CM BOT 1 2 6.754 0.709 0.000 0.00 1.00 -ATOM 1031 CN BOT 1 2 6.754 0.709 3.350 0.00 1.00 -ATOM 1032 CO BOT 1 2 6.754 0.709 6.700 0.00 1.00 -ATOM 1033 CP BOT 1 2 5.526 2.836 0.000 0.00 1.00 -ATOM 1034 CQ BOT 1 2 5.526 2.836 3.350 0.00 1.00 -ATOM 1035 CR BOT 1 2 5.526 2.836 6.700 0.00 1.00 -ATOM 1036 CS BOT 1 2 4.298 4.963 0.000 0.00 1.00 -ATOM 1037 CT BOT 1 2 4.298 4.963 3.350 0.00 1.00 -ATOM 1038 CU BOT 1 2 4.298 4.963 6.700 0.00 1.00 -ATOM 1039 CV BOT 1 2 3.070 7.090 0.000 0.00 1.00 -ATOM 1040 CW BOT 1 2 3.070 7.090 3.350 0.00 1.00 -ATOM 1041 CX BOT 1 2 3.070 7.090 6.700 0.00 1.00 -ATOM 1042 CY BOT 1 2 1.842 9.217 0.000 0.00 1.00 -ATOM 1043 CZ BOT 1 2 1.842 9.217 3.350 0.00 1.00 -ATOM 1044 Ca BOT 1 2 1.842 9.217 6.700 0.00 1.00 -ATOM 1045 Cb BOT 1 2 0.614 11.344 0.000 0.00 1.00 -ATOM 1046 Cc BOT 1 2 0.614 11.344 3.350 0.00 1.00 -ATOM 1047 Cd BOT 1 2 0.614 11.344 6.700 0.00 1.00 -ATOM 1048 Ce BOT 1 2 28.858 13.471 0.000 0.00 1.00 -ATOM 1049 Cf BOT 1 2 28.858 13.471 3.350 0.00 1.00 -ATOM 1050 Cg BOT 1 2 28.858 13.471 6.700 0.00 1.00 -ATOM 1051 Ch BOT 1 2 17.806 15.597 0.000 0.00 1.00 -ATOM 1052 Ci BOT 1 2 17.806 15.597 3.350 0.00 1.00 -ATOM 1053 Cj BOT 1 2 17.806 15.597 6.700 0.00 1.00 -ATOM 1054 Ck BOT 1 2 16.578 17.724 0.000 0.00 1.00 -ATOM 1055 Cl BOT 1 2 16.578 17.724 3.350 0.00 1.00 -ATOM 1056 Cm BOT 1 2 16.578 17.724 6.700 0.00 1.00 -ATOM 1057 Cn BOT 1 2 15.350 19.851 0.000 0.00 1.00 -ATOM 1058 Co BOT 1 2 15.350 19.851 3.350 0.00 1.00 -ATOM 1059 Cp BOT 1 2 15.350 19.851 6.700 0.00 1.00 -ATOM 1060 Cq BOT 1 2 14.122 21.978 0.000 0.00 1.00 -ATOM 1061 Cr BOT 1 2 14.122 21.978 3.350 0.00 1.00 -ATOM 1062 Cs BOT 1 2 14.122 21.978 6.700 0.00 1.00 -ATOM 1063 Ct BOT 1 2 12.894 24.105 0.000 0.00 1.00 -ATOM 1064 Cu BOT 1 2 12.894 24.105 3.350 0.00 1.00 -ATOM 1065 Cv BOT 1 2 12.894 24.105 6.700 0.00 1.00 -ATOM 1066 Cw BOT 1 2 11.666 26.232 0.000 0.00 1.00 -ATOM 1067 Cx BOT 1 2 11.666 26.232 3.350 0.00 1.00 -ATOM 1068 Cy BOT 1 2 11.666 26.232 6.700 0.00 1.00 -ATOM 1069 Cz BOT 1 2 10.438 28.359 0.000 0.00 1.00 -ATOM 1070 C10 BOT 1 2 10.438 28.359 3.350 0.00 1.00 -ATOM 1071 C11 BOT 1 2 10.438 28.359 6.700 0.00 1.00 -ATOM 1072 C12 BOT 1 2 9.210 0.709 0.000 0.00 1.00 -ATOM 1073 C13 BOT 1 2 9.210 0.709 3.350 0.00 1.00 -ATOM 1074 C14 BOT 1 2 9.210 0.709 6.700 0.00 1.00 -ATOM 1075 C15 BOT 1 2 7.982 2.836 0.000 0.00 1.00 -ATOM 1076 C16 BOT 1 2 7.982 2.836 3.350 0.00 1.00 -ATOM 1077 C17 BOT 1 2 7.982 2.836 6.700 0.00 1.00 -ATOM 1078 C18 BOT 1 2 6.754 4.963 0.000 0.00 1.00 -ATOM 1079 C19 BOT 1 2 6.754 4.963 3.350 0.00 1.00 -ATOM 1080 C1A BOT 1 2 6.754 4.963 6.700 0.00 1.00 -ATOM 1081 C1B BOT 1 2 5.526 7.090 0.000 0.00 1.00 -ATOM 1082 C1C BOT 1 2 5.526 7.090 3.350 0.00 1.00 -ATOM 1083 C1D BOT 1 2 5.526 7.090 6.700 0.00 1.00 -ATOM 1084 C1E BOT 1 2 4.298 9.217 0.000 0.00 1.00 -ATOM 1085 C1F BOT 1 2 4.298 9.217 3.350 0.00 1.00 -ATOM 1086 C1G BOT 1 2 4.298 9.217 6.700 0.00 1.00 -ATOM 1087 C1H BOT 1 2 3.070 11.344 0.000 0.00 1.00 -ATOM 1088 C1I BOT 1 2 3.070 11.344 3.350 0.00 1.00 -ATOM 1089 C1J BOT 1 2 3.070 11.344 6.700 0.00 1.00 -ATOM 1090 C1K BOT 1 2 1.842 13.471 0.000 0.00 1.00 -ATOM 1091 C1L BOT 1 2 1.842 13.471 3.350 0.00 1.00 -ATOM 1092 C1M BOT 1 2 1.842 13.471 6.700 0.00 1.00 -ATOM 1093 C1N BOT 1 2 20.262 15.597 0.000 0.00 1.00 -ATOM 1094 C1O BOT 1 2 20.262 15.597 3.350 0.00 1.00 -ATOM 1095 C1P BOT 1 2 20.262 15.597 6.700 0.00 1.00 -ATOM 1096 C1Q BOT 1 2 19.034 17.724 0.000 0.00 1.00 -ATOM 1097 C1R BOT 1 2 19.034 17.724 3.350 0.00 1.00 -ATOM 1098 C1S BOT 1 2 19.034 17.724 6.700 0.00 1.00 -ATOM 1099 C1T BOT 1 2 17.806 19.851 0.000 0.00 1.00 -ATOM 1100 C1U BOT 1 2 17.806 19.851 3.350 0.00 1.00 -ATOM 1101 C1V BOT 1 2 17.806 19.851 6.700 0.00 1.00 -ATOM 1102 C1W BOT 1 2 16.578 21.978 0.000 0.00 1.00 -ATOM 1103 C1X BOT 1 2 16.578 21.978 3.350 0.00 1.00 -ATOM 1104 C1Y BOT 1 2 16.578 21.978 6.700 0.00 1.00 -ATOM 1105 C1Z BOT 1 2 15.350 24.105 0.000 0.00 1.00 -ATOM 1106 C1a BOT 1 2 15.350 24.105 3.350 0.00 1.00 -ATOM 1107 C1b BOT 1 2 15.350 24.105 6.700 0.00 1.00 -ATOM 1108 C1c BOT 1 2 14.122 26.232 0.000 0.00 1.00 -ATOM 1109 C1d BOT 1 2 14.122 26.232 3.350 0.00 1.00 -ATOM 1110 C1e BOT 1 2 14.122 26.232 6.700 0.00 1.00 -ATOM 1111 C1f BOT 1 2 12.894 28.359 0.000 0.00 1.00 -ATOM 1112 C1g BOT 1 2 12.894 28.359 3.350 0.00 1.00 -ATOM 1113 C1h BOT 1 2 12.894 28.359 6.700 0.00 1.00 -ATOM 1114 C1i BOT 1 2 11.666 0.709 0.000 0.00 1.00 -ATOM 1115 C1j BOT 1 2 11.666 0.709 3.350 0.00 1.00 -ATOM 1116 C1k BOT 1 2 11.666 0.709 6.700 0.00 1.00 -ATOM 1117 C1l BOT 1 2 10.438 2.836 0.000 0.00 1.00 -ATOM 1118 C1m BOT 1 2 10.438 2.836 3.350 0.00 1.00 -ATOM 1119 C1n BOT 1 2 10.438 2.836 6.700 0.00 1.00 -ATOM 1120 C1o BOT 1 2 9.210 4.963 0.000 0.00 1.00 -ATOM 1121 C1p BOT 1 2 9.210 4.963 3.350 0.00 1.00 -ATOM 1122 C1q BOT 1 2 9.210 4.963 6.700 0.00 1.00 -ATOM 1123 C1r BOT 1 2 7.982 7.090 0.000 0.00 1.00 -ATOM 1124 C1s BOT 1 2 7.982 7.090 3.350 0.00 1.00 -ATOM 1125 C1t BOT 1 2 7.982 7.090 6.700 0.00 1.00 -ATOM 1126 C1u BOT 1 2 6.754 9.217 0.000 0.00 1.00 -ATOM 1127 C1v BOT 1 2 6.754 9.217 3.350 0.00 1.00 -ATOM 1128 C1w BOT 1 2 6.754 9.217 6.700 0.00 1.00 -ATOM 1129 C1x BOT 1 2 5.526 11.344 0.000 0.00 1.00 -ATOM 1130 C1y BOT 1 2 5.526 11.344 3.350 0.00 1.00 -ATOM 1131 C1z BOT 1 2 5.526 11.344 6.700 0.00 1.00 -ATOM 1132 C20 BOT 1 2 4.298 13.471 0.000 0.00 1.00 -ATOM 1133 C21 BOT 1 2 4.298 13.471 3.350 0.00 1.00 -ATOM 1134 C22 BOT 1 2 4.298 13.471 6.700 0.00 1.00 -ATOM 1135 C23 BOT 1 2 22.718 15.597 0.000 0.00 1.00 -ATOM 1136 C24 BOT 1 2 22.718 15.597 3.350 0.00 1.00 -ATOM 1137 C25 BOT 1 2 22.718 15.597 6.700 0.00 1.00 -ATOM 1138 C26 BOT 1 2 21.490 17.724 0.000 0.00 1.00 -ATOM 1139 C27 BOT 1 2 21.490 17.724 3.350 0.00 1.00 -ATOM 1140 C28 BOT 1 2 21.490 17.724 6.700 0.00 1.00 -ATOM 1141 C29 BOT 1 2 20.262 19.851 0.000 0.00 1.00 -ATOM 1142 C2A BOT 1 2 20.262 19.851 3.350 0.00 1.00 -ATOM 1143 C2B BOT 1 2 20.262 19.851 6.700 0.00 1.00 -ATOM 1144 C2C BOT 1 2 19.034 21.978 0.000 0.00 1.00 -ATOM 1145 C2D BOT 1 2 19.034 21.978 3.350 0.00 1.00 -ATOM 1146 C2E BOT 1 2 19.034 21.978 6.700 0.00 1.00 -ATOM 1147 C2F BOT 1 2 17.806 24.105 0.000 0.00 1.00 -ATOM 1148 C2G BOT 1 2 17.806 24.105 3.350 0.00 1.00 -ATOM 1149 C2H BOT 1 2 17.806 24.105 6.700 0.00 1.00 -ATOM 1150 C2I BOT 1 2 16.578 26.232 0.000 0.00 1.00 -ATOM 1151 C2J BOT 1 2 16.578 26.232 3.350 0.00 1.00 -ATOM 1152 C2K BOT 1 2 16.578 26.232 6.700 0.00 1.00 -ATOM 1153 C2L BOT 1 2 15.350 28.359 0.000 0.00 1.00 -ATOM 1154 C2M BOT 1 2 15.350 28.359 3.350 0.00 1.00 -ATOM 1155 C2N BOT 1 2 15.350 28.359 6.700 0.00 1.00 -ATOM 1156 C2O BOT 1 2 14.122 0.709 0.000 0.00 1.00 -ATOM 1157 C2P BOT 1 2 14.122 0.709 3.350 0.00 1.00 -ATOM 1158 C2Q BOT 1 2 14.122 0.709 6.700 0.00 1.00 -ATOM 1159 C2R BOT 1 2 12.894 2.836 0.000 0.00 1.00 -ATOM 1160 C2S BOT 1 2 12.894 2.836 3.350 0.00 1.00 -ATOM 1161 C2T BOT 1 2 12.894 2.836 6.700 0.00 1.00 -ATOM 1162 C2U BOT 1 2 11.666 4.963 0.000 0.00 1.00 -ATOM 1163 C2V BOT 1 2 11.666 4.963 3.350 0.00 1.00 -ATOM 1164 C2W BOT 1 2 11.666 4.963 6.700 0.00 1.00 -ATOM 1165 C2X BOT 1 2 10.438 7.090 0.000 0.00 1.00 -ATOM 1166 C2Y BOT 1 2 10.438 7.090 3.350 0.00 1.00 -ATOM 1167 C2Z BOT 1 2 10.438 7.090 6.700 0.00 1.00 -ATOM 1168 C2a BOT 1 2 9.210 9.217 0.000 0.00 1.00 -ATOM 1169 C2b BOT 1 2 9.210 9.217 3.350 0.00 1.00 -ATOM 1170 C2c BOT 1 2 9.210 9.217 6.700 0.00 1.00 -ATOM 1171 C2d BOT 1 2 7.982 11.344 0.000 0.00 1.00 -ATOM 1172 C2e BOT 1 2 7.982 11.344 3.350 0.00 1.00 -ATOM 1173 C2f BOT 1 2 7.982 11.344 6.700 0.00 1.00 -ATOM 1174 C2g BOT 1 2 6.754 13.471 0.000 0.00 1.00 -ATOM 1175 C2h BOT 1 2 6.754 13.471 3.350 0.00 1.00 -ATOM 1176 C2i BOT 1 2 6.754 13.471 6.700 0.00 1.00 -ATOM 1177 C2j BOT 1 2 25.174 15.597 0.000 0.00 1.00 -ATOM 1178 C2k BOT 1 2 25.174 15.597 3.350 0.00 1.00 -ATOM 1179 C2l BOT 1 2 25.174 15.597 6.700 0.00 1.00 -ATOM 1180 C2m BOT 1 2 23.946 17.724 0.000 0.00 1.00 -ATOM 1181 C2n BOT 1 2 23.946 17.724 3.350 0.00 1.00 -ATOM 1182 C2o BOT 1 2 23.946 17.724 6.700 0.00 1.00 -ATOM 1183 C2p BOT 1 2 22.718 19.851 0.000 0.00 1.00 -ATOM 1184 C2q BOT 1 2 22.718 19.851 3.350 0.00 1.00 -ATOM 1185 C2r BOT 1 2 22.718 19.851 6.700 0.00 1.00 -ATOM 1186 C2s BOT 1 2 21.490 21.978 0.000 0.00 1.00 -ATOM 1187 C2t BOT 1 2 21.490 21.978 3.350 0.00 1.00 -ATOM 1188 C2u BOT 1 2 21.490 21.978 6.700 0.00 1.00 -ATOM 1189 C2v BOT 1 2 20.262 24.105 0.000 0.00 1.00 -ATOM 1190 C2w BOT 1 2 20.262 24.105 3.350 0.00 1.00 -ATOM 1191 C2x BOT 1 2 20.262 24.105 6.700 0.00 1.00 -ATOM 1192 C2y BOT 1 2 19.034 26.232 0.000 0.00 1.00 -ATOM 1193 C2z BOT 1 2 19.034 26.232 3.350 0.00 1.00 -ATOM 1194 C30 BOT 1 2 19.034 26.232 6.700 0.00 1.00 -ATOM 1195 C31 BOT 1 2 17.806 28.359 0.000 0.00 1.00 -ATOM 1196 C32 BOT 1 2 17.806 28.359 3.350 0.00 1.00 -ATOM 1197 C33 BOT 1 2 17.806 28.359 6.700 0.00 1.00 -ATOM 1198 C34 BOT 1 2 16.578 0.709 0.000 0.00 1.00 -ATOM 1199 C35 BOT 1 2 16.578 0.709 3.350 0.00 1.00 -ATOM 1200 C36 BOT 1 2 16.578 0.709 6.700 0.00 1.00 -ATOM 1201 C37 BOT 1 2 15.350 2.836 0.000 0.00 1.00 -ATOM 1202 C38 BOT 1 2 15.350 2.836 3.350 0.00 1.00 -ATOM 1203 C39 BOT 1 2 15.350 2.836 6.700 0.00 1.00 -ATOM 1204 C3A BOT 1 2 14.122 4.963 0.000 0.00 1.00 -ATOM 1205 C3B BOT 1 2 14.122 4.963 3.350 0.00 1.00 -ATOM 1206 C3C BOT 1 2 14.122 4.963 6.700 0.00 1.00 -ATOM 1207 C3D BOT 1 2 12.894 7.090 0.000 0.00 1.00 -ATOM 1208 C3E BOT 1 2 12.894 7.090 3.350 0.00 1.00 -ATOM 1209 C3F BOT 1 2 12.894 7.090 6.700 0.00 1.00 -ATOM 1210 C3G BOT 1 2 11.666 9.217 0.000 0.00 1.00 -ATOM 1211 C3H BOT 1 2 11.666 9.217 3.350 0.00 1.00 -ATOM 1212 C3I BOT 1 2 11.666 9.217 6.700 0.00 1.00 -ATOM 1213 C3J BOT 1 2 10.438 11.344 0.000 0.00 1.00 -ATOM 1214 C3K BOT 1 2 10.438 11.344 3.350 0.00 1.00 -ATOM 1215 C3L BOT 1 2 10.438 11.344 6.700 0.00 1.00 -ATOM 1216 C3M BOT 1 2 9.210 13.471 0.000 0.00 1.00 -ATOM 1217 C3N BOT 1 2 9.210 13.471 3.350 0.00 1.00 -ATOM 1218 C3O BOT 1 2 9.210 13.471 6.700 0.00 1.00 -ATOM 1219 C3P BOT 1 2 27.630 15.597 0.000 0.00 1.00 -ATOM 1220 C3Q BOT 1 2 27.630 15.597 3.350 0.00 1.00 -ATOM 1221 C3R BOT 1 2 27.630 15.597 6.700 0.00 1.00 -ATOM 1222 C3S BOT 1 2 26.402 17.724 0.000 0.00 1.00 -ATOM 1223 C3T BOT 1 2 26.402 17.724 3.350 0.00 1.00 -ATOM 1224 C3U BOT 1 2 26.402 17.724 6.700 0.00 1.00 -ATOM 1225 C3V BOT 1 2 25.174 19.851 0.000 0.00 1.00 -ATOM 1226 C3W BOT 1 2 25.174 19.851 3.350 0.00 1.00 -ATOM 1227 C3X BOT 1 2 25.174 19.851 6.700 0.00 1.00 -ATOM 1228 C3Y BOT 1 2 23.946 21.978 0.000 0.00 1.00 -ATOM 1229 C3Z BOT 1 2 23.946 21.978 3.350 0.00 1.00 -ATOM 1230 C3a BOT 1 2 23.946 21.978 6.700 0.00 1.00 -ATOM 1231 C3b BOT 1 2 22.718 24.105 0.000 0.00 1.00 -ATOM 1232 C3c BOT 1 2 22.718 24.105 3.350 0.00 1.00 -ATOM 1233 C3d BOT 1 2 22.718 24.105 6.700 0.00 1.00 -ATOM 1234 C3e BOT 1 2 21.490 26.232 0.000 0.00 1.00 -ATOM 1235 C3f BOT 1 2 21.490 26.232 3.350 0.00 1.00 -ATOM 1236 C3g BOT 1 2 21.490 26.232 6.700 0.00 1.00 -ATOM 1237 C3h BOT 1 2 20.262 28.359 0.000 0.00 1.00 -ATOM 1238 C3i BOT 1 2 20.262 28.359 3.350 0.00 1.00 -ATOM 1239 C3j BOT 1 2 20.262 28.359 6.700 0.00 1.00 -ATOM 1240 C3k BOT 1 2 19.034 0.709 0.000 0.00 1.00 -ATOM 1241 C3l BOT 1 2 19.034 0.709 3.350 0.00 1.00 -ATOM 1242 C3m BOT 1 2 19.034 0.709 6.700 0.00 1.00 -ATOM 1243 C3n BOT 1 2 17.806 2.836 0.000 0.00 1.00 -ATOM 1244 C3o BOT 1 2 17.806 2.836 3.350 0.00 1.00 -ATOM 1245 C3p BOT 1 2 17.806 2.836 6.700 0.00 1.00 -ATOM 1246 C3q BOT 1 2 16.578 4.963 0.000 0.00 1.00 -ATOM 1247 C3r BOT 1 2 16.578 4.963 3.350 0.00 1.00 -ATOM 1248 C3s BOT 1 2 16.578 4.963 6.700 0.00 1.00 -ATOM 1249 C3t BOT 1 2 15.350 7.090 0.000 0.00 1.00 -ATOM 1250 C3u BOT 1 2 15.350 7.090 3.350 0.00 1.00 -ATOM 1251 C3v BOT 1 2 15.350 7.090 6.700 0.00 1.00 -ATOM 1252 C3w BOT 1 2 14.122 9.217 0.000 0.00 1.00 -ATOM 1253 C3x BOT 1 2 14.122 9.217 3.350 0.00 1.00 -ATOM 1254 C3y BOT 1 2 14.122 9.217 6.700 0.00 1.00 -ATOM 1255 C3z BOT 1 2 12.894 11.344 0.000 0.00 1.00 -ATOM 1256 C40 BOT 1 2 12.894 11.344 3.350 0.00 1.00 -ATOM 1257 C41 BOT 1 2 12.894 11.344 6.700 0.00 1.00 -ATOM 1258 C42 BOT 1 2 11.666 13.471 0.000 0.00 1.00 -ATOM 1259 C43 BOT 1 2 11.666 13.471 3.350 0.00 1.00 -ATOM 1260 C44 BOT 1 2 11.666 13.471 6.700 0.00 1.00 -ATOM 1261 C45 BOT 1 2 0.614 15.597 0.000 0.00 1.00 -ATOM 1262 C46 BOT 1 2 0.614 15.597 3.350 0.00 1.00 -ATOM 1263 C47 BOT 1 2 0.614 15.597 6.700 0.00 1.00 -ATOM 1264 C48 BOT 1 2 28.858 17.724 0.000 0.00 1.00 -ATOM 1265 C49 BOT 1 2 28.858 17.724 3.350 0.00 1.00 -ATOM 1266 C4A BOT 1 2 28.858 17.724 6.700 0.00 1.00 -ATOM 1267 C4B BOT 1 2 27.630 19.851 0.000 0.00 1.00 -ATOM 1268 C4C BOT 1 2 27.630 19.851 3.350 0.00 1.00 -ATOM 1269 C4D BOT 1 2 27.630 19.851 6.700 0.00 1.00 -ATOM 1270 C4E BOT 1 2 26.402 21.978 0.000 0.00 1.00 -ATOM 1271 C4F BOT 1 2 26.402 21.978 3.350 0.00 1.00 -ATOM 1272 C4G BOT 1 2 26.402 21.978 6.700 0.00 1.00 -ATOM 1273 C4H BOT 1 2 25.174 24.105 0.000 0.00 1.00 -ATOM 1274 C4I BOT 1 2 25.174 24.105 3.350 0.00 1.00 -ATOM 1275 C4J BOT 1 2 25.174 24.105 6.700 0.00 1.00 -ATOM 1276 C4K BOT 1 2 23.946 26.232 0.000 0.00 1.00 -ATOM 1277 C4L BOT 1 2 23.946 26.232 3.350 0.00 1.00 -ATOM 1278 C4M BOT 1 2 23.946 26.232 6.700 0.00 1.00 -ATOM 1279 C4N BOT 1 2 22.718 28.359 0.000 0.00 1.00 -ATOM 1280 C4O BOT 1 2 22.718 28.359 3.350 0.00 1.00 -ATOM 1281 C4P BOT 1 2 22.718 28.359 6.700 0.00 1.00 -ATOM 1282 C4Q BOT 1 2 21.490 0.709 0.000 0.00 1.00 -ATOM 1283 C4R BOT 1 2 21.490 0.709 3.350 0.00 1.00 -ATOM 1284 C4S BOT 1 2 21.490 0.709 6.700 0.00 1.00 -ATOM 1285 C4T BOT 1 2 20.262 2.836 0.000 0.00 1.00 -ATOM 1286 C4U BOT 1 2 20.262 2.836 3.350 0.00 1.00 -ATOM 1287 C4V BOT 1 2 20.262 2.836 6.700 0.00 1.00 -ATOM 1288 C4W BOT 1 2 19.034 4.963 0.000 0.00 1.00 -ATOM 1289 C4X BOT 1 2 19.034 4.963 3.350 0.00 1.00 -ATOM 1290 C4Y BOT 1 2 19.034 4.963 6.700 0.00 1.00 -ATOM 1291 C4Z BOT 1 2 17.806 7.090 0.000 0.00 1.00 -ATOM 1292 C4a BOT 1 2 17.806 7.090 3.350 0.00 1.00 -ATOM 1293 C4b BOT 1 2 17.806 7.090 6.700 0.00 1.00 -ATOM 1294 C4c BOT 1 2 16.578 9.217 0.000 0.00 1.00 -ATOM 1295 C4d BOT 1 2 16.578 9.217 3.350 0.00 1.00 -ATOM 1296 C4e BOT 1 2 16.578 9.217 6.700 0.00 1.00 -ATOM 1297 C4f BOT 1 2 15.350 11.344 0.000 0.00 1.00 -ATOM 1298 C4g BOT 1 2 15.350 11.344 3.350 0.00 1.00 -ATOM 1299 C4h BOT 1 2 15.350 11.344 6.700 0.00 1.00 -ATOM 1300 C4i BOT 1 2 14.122 13.471 0.000 0.00 1.00 -ATOM 1301 C4j BOT 1 2 14.122 13.471 3.350 0.00 1.00 -ATOM 1302 C4k BOT 1 2 14.122 13.471 6.700 0.00 1.00 -ATOM 1303 C4l BOT 1 2 3.070 15.597 0.000 0.00 1.00 -ATOM 1304 C4m BOT 1 2 3.070 15.597 3.350 0.00 1.00 -ATOM 1305 C4n BOT 1 2 3.070 15.597 6.700 0.00 1.00 -ATOM 1306 C4o BOT 1 2 1.842 17.724 0.000 0.00 1.00 -ATOM 1307 C4p BOT 1 2 1.842 17.724 3.350 0.00 1.00 -ATOM 1308 C4q BOT 1 2 1.842 17.724 6.700 0.00 1.00 -ATOM 1309 C4r BOT 1 2 0.614 19.851 0.000 0.00 1.00 -ATOM 1310 C4s BOT 1 2 0.614 19.851 3.350 0.00 1.00 -ATOM 1311 C4t BOT 1 2 0.614 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3.350 0.00 1.00 -ATOM 1350 C5W BOT 1 2 4.298 17.724 6.700 0.00 1.00 -ATOM 1351 C5X BOT 1 2 3.070 19.851 0.000 0.00 1.00 -ATOM 1352 C5Y BOT 1 2 3.070 19.851 3.350 0.00 1.00 -ATOM 1353 C5Z BOT 1 2 3.070 19.851 6.700 0.00 1.00 -ATOM 1354 C5a BOT 1 2 1.842 21.978 0.000 0.00 1.00 -ATOM 1355 C5b BOT 1 2 1.842 21.978 3.350 0.00 1.00 -ATOM 1356 C5c BOT 1 2 1.842 21.978 6.700 0.00 1.00 -ATOM 1357 C5d BOT 1 2 0.614 24.105 0.000 0.00 1.00 -ATOM 1358 C5e BOT 1 2 0.614 24.105 3.350 0.00 1.00 -ATOM 1359 C5f BOT 1 2 0.614 24.105 6.700 0.00 1.00 -ATOM 1360 C5g BOT 1 2 28.858 26.232 0.000 0.00 1.00 -ATOM 1361 C5h BOT 1 2 28.858 26.232 3.350 0.00 1.00 -ATOM 1362 C5i BOT 1 2 28.858 26.232 6.700 0.00 1.00 -ATOM 1363 C5j BOT 1 2 27.630 28.359 0.000 0.00 1.00 -ATOM 1364 C5k BOT 1 2 27.630 28.359 3.350 0.00 1.00 -ATOM 1365 C5l BOT 1 2 27.630 28.359 6.700 0.00 1.00 -ATOM 1366 C5m BOT 1 2 26.402 0.709 0.000 0.00 1.00 -ATOM 1367 C5n BOT 1 2 26.402 0.709 3.350 0.00 1.00 -ATOM 1368 C5o BOT 1 2 26.402 0.709 6.700 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3.350 0.00 1.00 -ATOM 1599 C9X BOT 1 2 21.490 16.306 6.700 0.00 1.00 -ATOM 1600 C9Y BOT 1 2 20.262 18.433 0.000 0.00 1.00 -ATOM 1601 C9Z BOT 1 2 20.262 18.433 3.350 0.00 1.00 -ATOM 1602 C9a BOT 1 2 20.262 18.433 6.700 0.00 1.00 -ATOM 1603 C9b BOT 1 2 19.034 20.560 0.000 0.00 1.00 -ATOM 1604 C9c BOT 1 2 19.034 20.560 3.350 0.00 1.00 -ATOM 1605 C9d BOT 1 2 19.034 20.560 6.700 0.00 1.00 -ATOM 1606 C9e BOT 1 2 17.806 22.687 0.000 0.00 1.00 -ATOM 1607 C9f BOT 1 2 17.806 22.687 3.350 0.00 1.00 -ATOM 1608 C9g BOT 1 2 17.806 22.687 6.700 0.00 1.00 -ATOM 1609 C9h BOT 1 2 16.578 24.814 0.000 0.00 1.00 -ATOM 1610 C9i BOT 1 2 16.578 24.814 3.350 0.00 1.00 -ATOM 1611 C9j BOT 1 2 16.578 24.814 6.700 0.00 1.00 -ATOM 1612 C9k BOT 1 2 15.350 26.941 0.000 0.00 1.00 -ATOM 1613 C9l BOT 1 2 15.350 26.941 3.350 0.00 1.00 -ATOM 1614 C9m BOT 1 2 15.350 26.941 6.700 0.00 1.00 -ATOM 1615 C9n BOT 1 2 14.122 29.068 0.000 0.00 1.00 -ATOM 1616 C9o BOT 1 2 14.122 29.068 3.350 0.00 1.00 -ATOM 1617 C9p BOT 1 2 14.122 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0.00 1.00 -ATOM 1656 CAS BOT 1 2 17.806 26.941 6.700 0.00 1.00 -ATOM 1657 CAT BOT 1 2 16.578 29.068 0.000 0.00 1.00 -ATOM 1658 CAU BOT 1 2 16.578 29.068 3.350 0.00 1.00 -ATOM 1659 CAV BOT 1 2 16.578 29.068 6.700 0.00 1.00 -ATOM 1660 CAW BOT 1 2 15.350 1.418 0.000 0.00 1.00 -ATOM 1661 CAX BOT 1 2 15.350 1.418 3.350 0.00 1.00 -ATOM 1662 CAY BOT 1 2 15.350 1.418 6.700 0.00 1.00 -ATOM 1663 CAZ BOT 1 2 14.122 3.545 0.000 0.00 1.00 -ATOM 1664 CAa BOT 1 2 14.122 3.545 3.350 0.00 1.00 -ATOM 1665 CAb BOT 1 2 14.122 3.545 6.700 0.00 1.00 -ATOM 1666 CAc BOT 1 2 12.894 5.672 0.000 0.00 1.00 -ATOM 1667 CAd BOT 1 2 12.894 5.672 3.350 0.00 1.00 -ATOM 1668 CAe BOT 1 2 12.894 5.672 6.700 0.00 1.00 -ATOM 1669 CAf BOT 1 2 11.666 7.799 0.000 0.00 1.00 -ATOM 1670 CAg BOT 1 2 11.666 7.799 3.350 0.00 1.00 -ATOM 1671 CAh BOT 1 2 11.666 7.799 6.700 0.00 1.00 -ATOM 1672 CAi BOT 1 2 10.438 9.926 0.000 0.00 1.00 -ATOM 1673 CAj BOT 1 2 10.438 9.926 3.350 0.00 1.00 -ATOM 1674 CAk BOT 1 2 10.438 9.926 6.700 0.00 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1.00 -ATOM 1694 CB4 BOT 1 2 21.490 24.814 3.350 0.00 1.00 -ATOM 1695 CB5 BOT 1 2 21.490 24.814 6.700 0.00 1.00 -ATOM 1696 CB6 BOT 1 2 20.262 26.941 0.000 0.00 1.00 -ATOM 1697 CB7 BOT 1 2 20.262 26.941 3.350 0.00 1.00 -ATOM 1698 CB8 BOT 1 2 20.262 26.941 6.700 0.00 1.00 -ATOM 1699 CB9 BOT 1 2 19.034 29.068 0.000 0.00 1.00 -ATOM 1700 CBA BOT 1 2 19.034 29.068 3.350 0.00 1.00 -ATOM 1701 CBB BOT 1 2 19.034 29.068 6.700 0.00 1.00 -ATOM 1702 CBC BOT 1 2 17.806 1.418 0.000 0.00 1.00 -ATOM 1703 CBD BOT 1 2 17.806 1.418 3.350 0.00 1.00 -ATOM 1704 CBE BOT 1 2 17.806 1.418 6.700 0.00 1.00 -ATOM 1705 CBF BOT 1 2 16.578 3.545 0.000 0.00 1.00 -ATOM 1706 CBG BOT 1 2 16.578 3.545 3.350 0.00 1.00 -ATOM 1707 CBH BOT 1 2 16.578 3.545 6.700 0.00 1.00 -ATOM 1708 CBI BOT 1 2 15.350 5.672 0.000 0.00 1.00 -ATOM 1709 CBJ BOT 1 2 15.350 5.672 3.350 0.00 1.00 -ATOM 1710 CBK BOT 1 2 15.350 5.672 6.700 0.00 1.00 -ATOM 1711 CBL BOT 1 2 14.122 7.799 0.000 0.00 1.00 -ATOM 1712 CBM BOT 1 2 14.122 7.799 3.350 0.00 1.00 -ATOM 1713 CBN BOT 1 2 14.122 7.799 6.700 0.00 1.00 -ATOM 1714 CBO BOT 1 2 12.894 9.926 0.000 0.00 1.00 -ATOM 1715 CBP BOT 1 2 12.894 9.926 3.350 0.00 1.00 -ATOM 1716 CBQ BOT 1 2 12.894 9.926 6.700 0.00 1.00 -ATOM 1717 CBR BOT 1 2 11.666 12.053 0.000 0.00 1.00 -ATOM 1718 CBS BOT 1 2 11.666 12.053 3.350 0.00 1.00 -ATOM 1719 CBT BOT 1 2 11.666 12.053 6.700 0.00 1.00 -ATOM 1720 CBU BOT 1 2 10.438 14.180 0.000 0.00 1.00 -ATOM 1721 CBV BOT 1 2 10.438 14.180 3.350 0.00 1.00 -ATOM 1722 CBW BOT 1 2 10.438 14.180 6.700 0.00 1.00 -ATOM 1723 CBX BOT 1 2 28.858 16.306 0.000 0.00 1.00 -ATOM 1724 CBY BOT 1 2 28.858 16.306 3.350 0.00 1.00 -ATOM 1725 CBZ BOT 1 2 28.858 16.306 6.700 0.00 1.00 -ATOM 1726 CBa BOT 1 2 27.630 18.433 0.000 0.00 1.00 -ATOM 1727 CBb BOT 1 2 27.630 18.433 3.350 0.00 1.00 -ATOM 1728 CBc BOT 1 2 27.630 18.433 6.700 0.00 1.00 -ATOM 1729 CBd BOT 1 2 26.402 20.560 0.000 0.00 1.00 -ATOM 1730 CBe BOT 1 2 26.402 20.560 3.350 0.00 1.00 -ATOM 1731 CBf BOT 1 2 26.402 20.560 6.700 0.00 1.00 -ATOM 1732 CBg BOT 1 2 25.174 22.687 0.000 0.00 1.00 -ATOM 1733 CBh BOT 1 2 25.174 22.687 3.350 0.00 1.00 -ATOM 1734 CBi BOT 1 2 25.174 22.687 6.700 0.00 1.00 -ATOM 1735 CBj BOT 1 2 23.946 24.814 0.000 0.00 1.00 -ATOM 1736 CBk BOT 1 2 23.946 24.814 3.350 0.00 1.00 -ATOM 1737 CBl BOT 1 2 23.946 24.814 6.700 0.00 1.00 -ATOM 1738 CBm BOT 1 2 22.718 26.941 0.000 0.00 1.00 -ATOM 1739 CBn BOT 1 2 22.718 26.941 3.350 0.00 1.00 -ATOM 1740 CBo BOT 1 2 22.718 26.941 6.700 0.00 1.00 -ATOM 1741 CBp BOT 1 2 21.490 29.068 0.000 0.00 1.00 -ATOM 1742 CBq BOT 1 2 21.490 29.068 3.350 0.00 1.00 -ATOM 1743 CBr BOT 1 2 21.490 29.068 6.700 0.00 1.00 -ATOM 1744 CBs BOT 1 2 20.262 1.418 0.000 0.00 1.00 -ATOM 1745 CBt BOT 1 2 20.262 1.418 3.350 0.00 1.00 -ATOM 1746 CBu BOT 1 2 20.262 1.418 6.700 0.00 1.00 -ATOM 1747 CBv BOT 1 2 19.034 3.545 0.000 0.00 1.00 -ATOM 1748 CBw BOT 1 2 19.034 3.545 3.350 0.00 1.00 -ATOM 1749 CBx BOT 1 2 19.034 3.545 6.700 0.00 1.00 -ATOM 1750 CBy BOT 1 2 17.806 5.672 0.000 0.00 1.00 -ATOM 1751 CBz BOT 1 2 17.806 5.672 3.350 0.00 1.00 -ATOM 1752 CC0 BOT 1 2 17.806 5.672 6.700 0.00 1.00 -ATOM 1753 CC1 BOT 1 2 16.578 7.799 0.000 0.00 1.00 -ATOM 1754 CC2 BOT 1 2 16.578 7.799 3.350 0.00 1.00 -ATOM 1755 CC3 BOT 1 2 16.578 7.799 6.700 0.00 1.00 -ATOM 1756 CC4 BOT 1 2 15.350 9.926 0.000 0.00 1.00 -ATOM 1757 CC5 BOT 1 2 15.350 9.926 3.350 0.00 1.00 -ATOM 1758 CC6 BOT 1 2 15.350 9.926 6.700 0.00 1.00 -ATOM 1759 CC7 BOT 1 2 14.122 12.053 0.000 0.00 1.00 -ATOM 1760 CC8 BOT 1 2 14.122 12.053 3.350 0.00 1.00 -ATOM 1761 CC9 BOT 1 2 14.122 12.053 6.700 0.00 1.00 -ATOM 1762 CCA BOT 1 2 12.894 14.180 0.000 0.00 1.00 -ATOM 1763 CCB BOT 1 2 12.894 14.180 3.350 0.00 1.00 -ATOM 1764 CCC BOT 1 2 12.894 14.180 6.700 0.00 1.00 -ATOM 1765 CCD BOT 1 2 1.842 16.306 0.000 0.00 1.00 -ATOM 1766 CCE BOT 1 2 1.842 16.306 3.350 0.00 1.00 -ATOM 1767 CCF BOT 1 2 1.842 16.306 6.700 0.00 1.00 -ATOM 1768 CCG BOT 1 2 0.614 18.433 0.000 0.00 1.00 -ATOM 1769 CCH BOT 1 2 0.614 18.433 3.350 0.00 1.00 -ATOM 1770 CCI BOT 1 2 0.614 18.433 6.700 0.00 1.00 -ATOM 1771 CCJ BOT 1 2 28.858 20.560 0.000 0.00 1.00 -ATOM 1772 CCK BOT 1 2 28.858 20.560 3.350 0.00 1.00 -ATOM 1773 CCL BOT 1 2 28.858 20.560 6.700 0.00 1.00 -ATOM 1774 CCM BOT 1 2 27.630 22.687 0.000 0.00 1.00 -ATOM 1775 CCN BOT 1 2 27.630 22.687 3.350 0.00 1.00 -ATOM 1776 CCO BOT 1 2 27.630 22.687 6.700 0.00 1.00 -ATOM 1777 CCP BOT 1 2 26.402 24.814 0.000 0.00 1.00 -ATOM 1778 CCQ BOT 1 2 26.402 24.814 3.350 0.00 1.00 -ATOM 1779 CCR BOT 1 2 26.402 24.814 6.700 0.00 1.00 -ATOM 1780 CCS BOT 1 2 25.174 26.941 0.000 0.00 1.00 -ATOM 1781 CCT BOT 1 2 25.174 26.941 3.350 0.00 1.00 -ATOM 1782 CCU BOT 1 2 25.174 26.941 6.700 0.00 1.00 -ATOM 1783 CCV BOT 1 2 23.946 29.068 0.000 0.00 1.00 -ATOM 1784 CCW BOT 1 2 23.946 29.068 3.350 0.00 1.00 -ATOM 1785 CCX BOT 1 2 23.946 29.068 6.700 0.00 1.00 -ATOM 1786 CCY BOT 1 2 22.718 1.418 0.000 0.00 1.00 -ATOM 1787 CCZ BOT 1 2 22.718 1.418 3.350 0.00 1.00 -ATOM 1788 CCa BOT 1 2 22.718 1.418 6.700 0.00 1.00 -ATOM 1789 CCb BOT 1 2 21.490 3.545 0.000 0.00 1.00 -ATOM 1790 CCc BOT 1 2 21.490 3.545 3.350 0.00 1.00 -ATOM 1791 CCd BOT 1 2 21.490 3.545 6.700 0.00 1.00 -ATOM 1792 CCe BOT 1 2 20.262 5.672 0.000 0.00 1.00 -ATOM 1793 CCf BOT 1 2 20.262 5.672 3.350 0.00 1.00 -ATOM 1794 CCg BOT 1 2 20.262 5.672 6.700 0.00 1.00 -ATOM 1795 CCh BOT 1 2 19.034 7.799 0.000 0.00 1.00 -ATOM 1796 CCi BOT 1 2 19.034 7.799 3.350 0.00 1.00 -ATOM 1797 CCj BOT 1 2 19.034 7.799 6.700 0.00 1.00 -ATOM 1798 CCk BOT 1 2 17.806 9.926 0.000 0.00 1.00 -ATOM 1799 CCl BOT 1 2 17.806 9.926 3.350 0.00 1.00 -ATOM 1800 CCm BOT 1 2 17.806 9.926 6.700 0.00 1.00 -ATOM 1801 CCn BOT 1 2 16.578 12.053 0.000 0.00 1.00 -ATOM 1802 CCo BOT 1 2 16.578 12.053 3.350 0.00 1.00 -ATOM 1803 CCp BOT 1 2 16.578 12.053 6.700 0.00 1.00 -ATOM 1804 CCq BOT 1 2 15.350 14.180 0.000 0.00 1.00 -ATOM 1805 CCr BOT 1 2 15.350 14.180 3.350 0.00 1.00 -ATOM 1806 CCs BOT 1 2 15.350 14.180 6.700 0.00 1.00 -ATOM 1807 CCt BOT 1 2 4.298 16.306 0.000 0.00 1.00 -ATOM 1808 CCu BOT 1 2 4.298 16.306 3.350 0.00 1.00 -ATOM 1809 CCv BOT 1 2 4.298 16.306 6.700 0.00 1.00 -ATOM 1810 CCw BOT 1 2 3.070 18.433 0.000 0.00 1.00 -ATOM 1811 CCx BOT 1 2 3.070 18.433 3.350 0.00 1.00 -ATOM 1812 CCy BOT 1 2 3.070 18.433 6.700 0.00 1.00 -ATOM 1813 CCz BOT 1 2 1.842 20.560 0.000 0.00 1.00 -ATOM 1814 CD0 BOT 1 2 1.842 20.560 3.350 0.00 1.00 -ATOM 1815 CD1 BOT 1 2 1.842 20.560 6.700 0.00 1.00 -ATOM 1816 CD2 BOT 1 2 0.614 22.687 0.000 0.00 1.00 -ATOM 1817 CD3 BOT 1 2 0.614 22.687 3.350 0.00 1.00 -ATOM 1818 CD4 BOT 1 2 0.614 22.687 6.700 0.00 1.00 -ATOM 1819 CD5 BOT 1 2 28.858 24.814 0.000 0.00 1.00 -ATOM 1820 CD6 BOT 1 2 28.858 24.814 3.350 0.00 1.00 -ATOM 1821 CD7 BOT 1 2 28.858 24.814 6.700 0.00 1.00 -ATOM 1822 CD8 BOT 1 2 27.630 26.941 0.000 0.00 1.00 -ATOM 1823 CD9 BOT 1 2 27.630 26.941 3.350 0.00 1.00 -ATOM 1824 CDA BOT 1 2 27.630 26.941 6.700 0.00 1.00 -ATOM 1825 CDB BOT 1 2 26.402 29.068 0.000 0.00 1.00 -ATOM 1826 CDC BOT 1 2 26.402 29.068 3.350 0.00 1.00 -ATOM 1827 CDD BOT 1 2 26.402 29.068 6.700 0.00 1.00 -ATOM 1828 CDE BOT 1 2 25.174 1.418 0.000 0.00 1.00 -ATOM 1829 CDF BOT 1 2 25.174 1.418 3.350 0.00 1.00 -ATOM 1830 CDG BOT 1 2 25.174 1.418 6.700 0.00 1.00 -ATOM 1831 CDH BOT 1 2 23.946 3.545 0.000 0.00 1.00 -ATOM 1832 CDI BOT 1 2 23.946 3.545 3.350 0.00 1.00 -ATOM 1833 CDJ BOT 1 2 23.946 3.545 6.700 0.00 1.00 -ATOM 1834 CDK BOT 1 2 22.718 5.672 0.000 0.00 1.00 -ATOM 1835 CDL BOT 1 2 22.718 5.672 3.350 0.00 1.00 -ATOM 1836 CDM BOT 1 2 22.718 5.672 6.700 0.00 1.00 -ATOM 1837 CDN BOT 1 2 21.490 7.799 0.000 0.00 1.00 -ATOM 1838 CDO BOT 1 2 21.490 7.799 3.350 0.00 1.00 -ATOM 1839 CDP BOT 1 2 21.490 7.799 6.700 0.00 1.00 -ATOM 1840 CDQ BOT 1 2 20.262 9.926 0.000 0.00 1.00 -ATOM 1841 CDR BOT 1 2 20.262 9.926 3.350 0.00 1.00 -ATOM 1842 CDS BOT 1 2 20.262 9.926 6.700 0.00 1.00 -ATOM 1843 CDT BOT 1 2 19.034 12.053 0.000 0.00 1.00 -ATOM 1844 CDU BOT 1 2 19.034 12.053 3.350 0.00 1.00 -ATOM 1845 CDV BOT 1 2 19.034 12.053 6.700 0.00 1.00 -ATOM 1846 CDW BOT 1 2 17.806 14.180 0.000 0.00 1.00 -ATOM 1847 CDX BOT 1 2 17.806 14.180 3.350 0.00 1.00 -ATOM 1848 CDY BOT 1 2 17.806 14.180 6.700 0.00 1.00 -ATOM 1849 CDZ BOT 1 2 6.754 16.306 0.000 0.00 1.00 -ATOM 1850 CDa BOT 1 2 6.754 16.306 3.350 0.00 1.00 -ATOM 1851 CDb BOT 1 2 6.754 16.306 6.700 0.00 1.00 -ATOM 1852 CDc BOT 1 2 5.526 18.433 0.000 0.00 1.00 -ATOM 1853 CDd BOT 1 2 5.526 18.433 3.350 0.00 1.00 -ATOM 1854 CDe BOT 1 2 5.526 18.433 6.700 0.00 1.00 -ATOM 1855 CDf BOT 1 2 4.298 20.560 0.000 0.00 1.00 -ATOM 1856 CDg BOT 1 2 4.298 20.560 3.350 0.00 1.00 -ATOM 1857 CDh BOT 1 2 4.298 20.560 6.700 0.00 1.00 -ATOM 1858 CDi BOT 1 2 3.070 22.687 0.000 0.00 1.00 -ATOM 1859 CDj BOT 1 2 3.070 22.687 3.350 0.00 1.00 -ATOM 1860 CDk BOT 1 2 3.070 22.687 6.700 0.00 1.00 -ATOM 1861 CDl BOT 1 2 1.842 24.814 0.000 0.00 1.00 -ATOM 1862 CDm BOT 1 2 1.842 24.814 3.350 0.00 1.00 -ATOM 1863 CDn BOT 1 2 1.842 24.814 6.700 0.00 1.00 -ATOM 1864 CDo BOT 1 2 0.614 26.941 0.000 0.00 1.00 -ATOM 1865 CDp BOT 1 2 0.614 26.941 3.350 0.00 1.00 -ATOM 1866 CDq BOT 1 2 0.614 26.941 6.700 0.00 1.00 -ATOM 1867 CDr BOT 1 2 28.858 29.068 0.000 0.00 1.00 -ATOM 1868 CDs BOT 1 2 28.858 29.068 3.350 0.00 1.00 -ATOM 1869 CDt BOT 1 2 28.858 29.068 6.700 0.00 1.00 -ATOM 1870 CDu BOT 1 2 27.630 1.418 0.000 0.00 1.00 -ATOM 1871 CDv BOT 1 2 27.630 1.418 3.350 0.00 1.00 -ATOM 1872 CDw BOT 1 2 27.630 1.418 6.700 0.00 1.00 -ATOM 1873 CDx BOT 1 2 26.402 3.545 0.000 0.00 1.00 -ATOM 1874 CDy BOT 1 2 26.402 3.545 3.350 0.00 1.00 -ATOM 1875 CDz BOT 1 2 26.402 3.545 6.700 0.00 1.00 -ATOM 1876 CE0 BOT 1 2 25.174 5.672 0.000 0.00 1.00 -ATOM 1877 CE1 BOT 1 2 25.174 5.672 3.350 0.00 1.00 -ATOM 1878 CE2 BOT 1 2 25.174 5.672 6.700 0.00 1.00 -ATOM 1879 CE3 BOT 1 2 23.946 7.799 0.000 0.00 1.00 -ATOM 1880 CE4 BOT 1 2 23.946 7.799 3.350 0.00 1.00 -ATOM 1881 CE5 BOT 1 2 23.946 7.799 6.700 0.00 1.00 -ATOM 1882 CE6 BOT 1 2 22.718 9.926 0.000 0.00 1.00 -ATOM 1883 CE7 BOT 1 2 22.718 9.926 3.350 0.00 1.00 -ATOM 1884 CE8 BOT 1 2 22.718 9.926 6.700 0.00 1.00 -ATOM 1885 CE9 BOT 1 2 21.490 12.053 0.000 0.00 1.00 -ATOM 1886 CEA BOT 1 2 21.490 12.053 3.350 0.00 1.00 -ATOM 1887 CEB BOT 1 2 21.490 12.053 6.700 0.00 1.00 -ATOM 1888 CEC BOT 1 2 20.262 14.180 0.000 0.00 1.00 -ATOM 1889 CED BOT 1 2 20.262 14.180 3.350 0.00 1.00 -ATOM 1890 CEE BOT 1 2 20.262 14.180 6.700 0.00 1.00 -ATOM 1891 CEF BOT 1 2 9.210 16.306 0.000 0.00 1.00 -ATOM 1892 CEG BOT 1 2 9.210 16.306 3.350 0.00 1.00 -ATOM 1893 CEH BOT 1 2 9.210 16.306 6.700 0.00 1.00 -ATOM 1894 CEI BOT 1 2 7.982 18.433 0.000 0.00 1.00 -ATOM 1895 CEJ BOT 1 2 7.982 18.433 3.350 0.00 1.00 -ATOM 1896 CEK BOT 1 2 7.982 18.433 6.700 0.00 1.00 -ATOM 1897 CEL BOT 1 2 6.754 20.560 0.000 0.00 1.00 -ATOM 1898 CEM BOT 1 2 6.754 20.560 3.350 0.00 1.00 -ATOM 1899 CEN BOT 1 2 6.754 20.560 6.700 0.00 1.00 -ATOM 1900 CEO BOT 1 2 5.526 22.687 0.000 0.00 1.00 -ATOM 1901 CEP BOT 1 2 5.526 22.687 3.350 0.00 1.00 -ATOM 1902 CEQ BOT 1 2 5.526 22.687 6.700 0.00 1.00 -ATOM 1903 CER BOT 1 2 4.298 24.814 0.000 0.00 1.00 -ATOM 1904 CES BOT 1 2 4.298 24.814 3.350 0.00 1.00 -ATOM 1905 CET BOT 1 2 4.298 24.814 6.700 0.00 1.00 -ATOM 1906 CEU BOT 1 2 3.070 26.941 0.000 0.00 1.00 -ATOM 1907 CEV BOT 1 2 3.070 26.941 3.350 0.00 1.00 -ATOM 1908 CEW BOT 1 2 3.070 26.941 6.700 0.00 1.00 -ATOM 1909 CEX BOT 1 2 1.842 29.068 0.000 0.00 1.00 -ATOM 1910 CEY BOT 1 2 1.842 29.068 3.350 0.00 1.00 -ATOM 1911 CEZ BOT 1 2 1.842 29.068 6.700 0.00 1.00 -ATOM 1912 CEa BOT 1 2 0.614 1.418 0.000 0.00 1.00 -ATOM 1913 CEb BOT 1 2 0.614 1.418 3.350 0.00 1.00 -ATOM 1914 CEc BOT 1 2 0.614 1.418 6.700 0.00 1.00 -ATOM 1915 CEd BOT 1 2 28.858 3.545 0.000 0.00 1.00 -ATOM 1916 CEe BOT 1 2 28.858 3.545 3.350 0.00 1.00 -ATOM 1917 CEf BOT 1 2 28.858 3.545 6.700 0.00 1.00 -ATOM 1918 CEg BOT 1 2 27.630 5.672 0.000 0.00 1.00 -ATOM 1919 CEh BOT 1 2 27.630 5.672 3.350 0.00 1.00 -ATOM 1920 CEi BOT 1 2 27.630 5.672 6.700 0.00 1.00 -ATOM 1921 CEj BOT 1 2 26.402 7.799 0.000 0.00 1.00 -ATOM 1922 CEk BOT 1 2 26.402 7.799 3.350 0.00 1.00 -ATOM 1923 CEl BOT 1 2 26.402 7.799 6.700 0.00 1.00 -ATOM 1924 CEm BOT 1 2 25.174 9.926 0.000 0.00 1.00 -ATOM 1925 CEn BOT 1 2 25.174 9.926 3.350 0.00 1.00 -ATOM 1926 CEo BOT 1 2 25.174 9.926 6.700 0.00 1.00 -ATOM 1927 CEp BOT 1 2 23.946 12.053 0.000 0.00 1.00 -ATOM 1928 CEq BOT 1 2 23.946 12.053 3.350 0.00 1.00 -ATOM 1929 CEr BOT 1 2 23.946 12.053 6.700 0.00 1.00 -ATOM 1930 CEs BOT 1 2 22.718 14.180 0.000 0.00 1.00 -ATOM 1931 CEt BOT 1 2 22.718 14.180 3.350 0.00 1.00 -ATOM 1932 CEu BOT 1 2 22.718 14.180 6.700 0.00 1.00 -ATOM 1933 CEv BOT 1 2 11.666 16.306 0.000 0.00 1.00 -ATOM 1934 CEw BOT 1 2 11.666 16.306 3.350 0.00 1.00 -ATOM 1935 CEx BOT 1 2 11.666 16.306 6.700 0.00 1.00 -ATOM 1936 CEy BOT 1 2 10.438 18.433 0.000 0.00 1.00 -ATOM 1937 CEz BOT 1 2 10.438 18.433 3.350 0.00 1.00 -ATOM 1938 CF0 BOT 1 2 10.438 18.433 6.700 0.00 1.00 -ATOM 1939 CF1 BOT 1 2 9.210 20.560 0.000 0.00 1.00 -ATOM 1940 CF2 BOT 1 2 9.210 20.560 3.350 0.00 1.00 -ATOM 1941 CF3 BOT 1 2 9.210 20.560 6.700 0.00 1.00 -ATOM 1942 CF4 BOT 1 2 7.982 22.687 0.000 0.00 1.00 -ATOM 1943 CF5 BOT 1 2 7.982 22.687 3.350 0.00 1.00 -ATOM 1944 CF6 BOT 1 2 7.982 22.687 6.700 0.00 1.00 -ATOM 1945 CF7 BOT 1 2 6.754 24.814 0.000 0.00 1.00 -ATOM 1946 CF8 BOT 1 2 6.754 24.814 3.350 0.00 1.00 -ATOM 1947 CF9 BOT 1 2 6.754 24.814 6.700 0.00 1.00 -ATOM 1948 CFA BOT 1 2 5.526 26.941 0.000 0.00 1.00 -ATOM 1949 CFB BOT 1 2 5.526 26.941 3.350 0.00 1.00 -ATOM 1950 CFC BOT 1 2 5.526 26.941 6.700 0.00 1.00 -ATOM 1951 CFD BOT 1 2 4.298 29.068 0.000 0.00 1.00 -ATOM 1952 CFE BOT 1 2 4.298 29.068 3.350 0.00 1.00 -ATOM 1953 CFF BOT 1 2 4.298 29.068 6.700 0.00 1.00 -ATOM 1954 CFG BOT 1 2 3.070 1.418 0.000 0.00 1.00 -ATOM 1955 CFH BOT 1 2 3.070 1.418 3.350 0.00 1.00 -ATOM 1956 CFI BOT 1 2 3.070 1.418 6.700 0.00 1.00 -ATOM 1957 CFJ BOT 1 2 1.842 3.545 0.000 0.00 1.00 -ATOM 1958 CFK BOT 1 2 1.842 3.545 3.350 0.00 1.00 -ATOM 1959 CFL BOT 1 2 1.842 3.545 6.700 0.00 1.00 -ATOM 1960 CFM BOT 1 2 0.614 5.672 0.000 0.00 1.00 -ATOM 1961 CFN BOT 1 2 0.614 5.672 3.350 0.00 1.00 -ATOM 1962 CFO BOT 1 2 0.614 5.672 6.700 0.00 1.00 -ATOM 1963 CFP BOT 1 2 28.858 7.799 0.000 0.00 1.00 -ATOM 1964 CFQ BOT 1 2 28.858 7.799 3.350 0.00 1.00 -ATOM 1965 CFR BOT 1 2 28.858 7.799 6.700 0.00 1.00 -ATOM 1966 CFS BOT 1 2 27.630 9.926 0.000 0.00 1.00 -ATOM 1967 CFT BOT 1 2 27.630 9.926 3.350 0.00 1.00 -ATOM 1968 CFU BOT 1 2 27.630 9.926 6.700 0.00 1.00 -ATOM 1969 CFV BOT 1 2 26.402 12.053 0.000 0.00 1.00 -ATOM 1970 CFW BOT 1 2 26.402 12.053 3.350 0.00 1.00 -ATOM 1971 CFX BOT 1 2 26.402 12.053 6.700 0.00 1.00 -ATOM 1972 CFY BOT 1 2 25.174 14.180 0.000 0.00 1.00 -ATOM 1973 CFZ BOT 1 2 25.174 14.180 3.350 0.00 1.00 -ATOM 1974 CFa BOT 1 2 25.174 14.180 6.700 0.00 1.00 -ATOM 1975 CFb BOT 1 2 14.122 16.306 0.000 0.00 1.00 -ATOM 1976 CFc BOT 1 2 14.122 16.306 3.350 0.00 1.00 -ATOM 1977 CFd BOT 1 2 14.122 16.306 6.700 0.00 1.00 -ATOM 1978 CFe BOT 1 2 12.894 18.433 0.000 0.00 1.00 -ATOM 1979 CFf BOT 1 2 12.894 18.433 3.350 0.00 1.00 -ATOM 1980 CFg BOT 1 2 12.894 18.433 6.700 0.00 1.00 -ATOM 1981 CFh BOT 1 2 11.666 20.560 0.000 0.00 1.00 -ATOM 1982 CFi BOT 1 2 11.666 20.560 3.350 0.00 1.00 -ATOM 1983 CFj BOT 1 2 11.666 20.560 6.700 0.00 1.00 -ATOM 1984 CFk BOT 1 2 10.438 22.687 0.000 0.00 1.00 -ATOM 1985 CFl BOT 1 2 10.438 22.687 3.350 0.00 1.00 -ATOM 1986 CFm BOT 1 2 10.438 22.687 6.700 0.00 1.00 -ATOM 1987 CFn BOT 1 2 9.210 24.814 0.000 0.00 1.00 -ATOM 1988 CFo BOT 1 2 9.210 24.814 3.350 0.00 1.00 -ATOM 1989 CFp BOT 1 2 9.210 24.814 6.700 0.00 1.00 -ATOM 1990 CFq BOT 1 2 7.982 26.941 0.000 0.00 1.00 -ATOM 1991 CFr BOT 1 2 7.982 26.941 3.350 0.00 1.00 -ATOM 1992 CFs BOT 1 2 7.982 26.941 6.700 0.00 1.00 -ATOM 1993 CFt BOT 1 2 6.754 29.068 0.000 0.00 1.00 -ATOM 1994 CFu BOT 1 2 6.754 29.068 3.350 0.00 1.00 -ATOM 1995 CFv BOT 1 2 6.754 29.068 6.700 0.00 1.00 -ATOM 1996 CFw BOT 1 2 5.526 1.418 0.000 0.00 1.00 -ATOM 1997 CFx BOT 1 2 5.526 1.418 3.350 0.00 1.00 -ATOM 1998 CFy BOT 1 2 5.526 1.418 6.700 0.00 1.00 -ATOM 1999 CFz BOT 1 2 4.298 3.545 0.000 0.00 1.00 -ATOM 2000 CG0 BOT 1 2 4.298 3.545 3.350 0.00 1.00 -ATOM 2001 CG1 BOT 1 2 4.298 3.545 6.700 0.00 1.00 -ATOM 2002 CG2 BOT 1 2 3.070 5.672 0.000 0.00 1.00 -ATOM 2003 CG3 BOT 1 2 3.070 5.672 3.350 0.00 1.00 -ATOM 2004 CG4 BOT 1 2 3.070 5.672 6.700 0.00 1.00 -ATOM 2005 CG5 BOT 1 2 1.842 7.799 0.000 0.00 1.00 -ATOM 2006 CG6 BOT 1 2 1.842 7.799 3.350 0.00 1.00 -ATOM 2007 CG7 BOT 1 2 1.842 7.799 6.700 0.00 1.00 -ATOM 2008 CG8 BOT 1 2 0.614 9.926 0.000 0.00 1.00 -ATOM 2009 CG9 BOT 1 2 0.614 9.926 3.350 0.00 1.00 -ATOM 2010 CGA BOT 1 2 0.614 9.926 6.700 0.00 1.00 -ATOM 2011 CGB BOT 1 2 28.858 12.053 0.000 0.00 1.00 -ATOM 2012 CGC BOT 1 2 28.858 12.053 3.350 0.00 1.00 -ATOM 2013 CGD BOT 1 2 28.858 12.053 6.700 0.00 1.00 -ATOM 2014 CGE BOT 1 2 27.630 14.180 0.000 0.00 1.00 -ATOM 2015 CGF BOT 1 2 27.630 14.180 3.350 0.00 1.00 -ATOM 2016 CGG BOT 1 2 27.630 14.180 6.700 0.00 1.00 -ATOM 2017 O1 H2O 1 3 22.539 9.755 22.941 0.00 0.00 -ATOM 2018 H1 H2O 1 3 21.666 9.268 22.960 0.00 0.00 -ATOM 2019 H2 H2O 1 3 22.698 10.187 23.829 0.00 0.00 -ATOM 2020 O1 H2O 2 4 27.683 27.253 20.806 0.00 0.00 -ATOM 2021 H1 H2O 2 4 27.343 26.652 21.529 0.00 0.00 -ATOM 2022 H2 H2O 2 4 26.928 27.800 20.445 0.00 0.00 -ATOM 2023 O1 H2O 3 5 10.264 19.134 22.217 0.00 0.00 -ATOM 2024 H1 H2O 3 5 9.702 19.959 22.284 0.00 0.00 -ATOM 2025 H2 H2O 3 5 11.231 19.387 22.239 0.00 0.00 -ATOM 2026 O1 H2O 4 6 16.264 8.502 18.750 0.00 0.00 -ATOM 2027 H1 H2O 4 6 15.401 8.740 19.196 0.00 0.00 -ATOM 2028 H2 H2O 4 6 16.710 7.765 19.258 0.00 0.00 -ATOM 2029 O1 H2O 5 7 0.739 1.449 19.541 0.00 0.00 -ATOM 2030 H1 H2O 5 7 1.346 1.553 18.754 0.00 0.00 -ATOM 2031 H2 H2O 5 7 0.809 2.259 20.125 0.00 0.00 -ATOM 2032 O1 H2O 6 8 19.379 22.920 24.423 0.00 0.00 -ATOM 2033 H1 H2O 6 8 19.477 21.972 24.121 0.00 0.00 -ATOM 2034 H2 H2O 6 8 18.421 23.102 24.643 0.00 0.00 -ATOM 2035 O1 H2O 7 9 3.427 29.306 18.750 0.00 0.00 -ATOM 2036 H1 H2O 7 9 4.040 28.713 19.272 0.00 0.00 -ATOM 2037 H2 H2O 7 9 3.197 30.111 19.297 0.00 0.00 -ATOM 2038 O1 H2O 8 10 11.744 23.316 21.629 0.00 0.00 -ATOM 2039 H1 H2O 8 10 12.119 22.848 20.828 0.00 0.00 -ATOM 2040 H2 H2O 8 10 10.830 22.960 21.824 0.00 0.00 -ATOM 2041 O1 H2O 9 11 11.087 7.537 24.606 0.00 0.00 -ATOM 2042 H1 H2O 9 11 10.440 6.786 24.737 0.00 0.00 -ATOM 2043 H2 H2O 9 11 11.055 7.841 23.654 0.00 0.00 -ATOM 2044 O1 H2O 0 12 3.301 25.701 24.517 0.00 0.00 -ATOM 2045 H1 H2O 0 12 2.837 26.558 24.743 0.00 0.00 -ATOM 2046 H2 H2O 0 12 2.712 24.930 24.758 0.00 0.00 -ATOM 2047 O1 H2O 1 13 23.380 24.864 24.331 0.00 0.00 -ATOM 2048 H1 H2O 1 13 24.197 24.309 24.172 0.00 0.00 -ATOM 2049 H2 H2O 1 13 23.092 25.285 23.471 0.00 0.00 -ATOM 2050 O1 H2O 2 14 10.193 3.037 23.815 0.00 0.00 -ATOM 2051 H1 H2O 2 14 10.182 3.393 24.750 0.00 0.00 -ATOM 2052 H2 H2O 2 14 10.162 3.799 23.169 0.00 0.00 -ATOM 2053 O1 H2O 3 15 28.968 21.871 19.715 0.00 0.00 -ATOM 2054 H1 H2O 3 15 29.447 22.717 19.947 0.00 0.00 -ATOM 2055 H2 H2O 3 15 29.549 21.087 19.934 0.00 0.00 -ATOM 2056 O1 H2O 4 16 13.925 21.573 18.748 0.00 0.00 -ATOM 2057 H1 H2O 4 16 13.922 20.808 19.394 0.00 0.00 -ATOM 2058 H2 H2O 4 16 13.252 22.254 19.037 0.00 0.00 -ATOM 2059 O1 H2O 5 17 25.476 21.656 18.751 0.00 0.00 -ATOM 2060 H1 H2O 5 17 25.122 21.135 19.528 0.00 0.00 -ATOM 2061 H2 H2O 5 17 26.476 21.643 18.769 0.00 0.00 -ATOM 2062 O1 H2O 6 18 0.572 6.868 20.916 0.00 0.00 -ATOM 2063 H1 H2O 6 18 -0.344 7.262 20.842 0.00 0.00 -ATOM 2064 H2 H2O 6 18 0.687 6.159 20.219 0.00 0.00 -ATOM 2065 O1 H2O 7 19 13.731 18.175 21.934 0.00 0.00 -ATOM 2066 H1 H2O 7 19 13.042 17.526 21.612 0.00 0.00 -ATOM 2067 H2 H2O 7 19 13.773 18.148 22.933 0.00 0.00 -ATOM 2068 O1 H2O 8 20 27.323 2.218 24.011 0.00 0.00 -ATOM 2069 H1 H2O 8 20 28.125 2.239 23.414 0.00 0.00 -ATOM 2070 H2 H2O 8 20 27.479 1.569 24.756 0.00 0.00 -ATOM 2071 O1 H2O 9 21 8.698 22.138 22.152 0.00 0.00 -ATOM 2072 H1 H2O 9 21 8.229 23.020 22.208 0.00 0.00 -ATOM 2073 H2 H2O 9 21 9.232 21.991 22.984 0.00 0.00 -ATOM 2074 O1 H2O 0 22 24.466 23.353 19.719 0.00 0.00 -ATOM 2075 H1 H2O 0 22 23.973 23.258 18.854 0.00 0.00 -ATOM 2076 H2 H2O 0 22 25.221 23.998 19.604 0.00 0.00 -ATOM 2077 O1 H2O 1 23 13.324 5.779 24.299 0.00 0.00 -ATOM 2078 H1 H2O 1 23 13.711 4.861 24.388 0.00 0.00 -ATOM 2079 H2 H2O 1 23 12.427 5.807 24.741 0.00 0.00 -ATOM 2080 O1 H2O 2 24 2.914 9.542 22.435 0.00 0.00 -ATOM 2081 H1 H2O 2 24 2.795 10.467 22.795 0.00 0.00 -ATOM 2082 H2 H2O 2 24 3.099 9.588 21.453 0.00 0.00 -ATOM 2083 O1 H2O 3 25 1.547 26.512 19.210 0.00 0.00 -ATOM 2084 H1 H2O 3 25 1.911 27.322 18.751 0.00 0.00 -ATOM 2085 H2 H2O 3 25 1.889 25.689 18.756 0.00 0.00 -ATOM 2086 O1 H2O 4 26 10.413 27.679 24.299 0.00 0.00 -ATOM 2087 H1 H2O 4 26 11.181 27.221 24.748 0.00 0.00 -ATOM 2088 H2 H2O 4 26 9.560 27.414 24.748 0.00 0.00 -ATOM 2089 O1 H2O 5 27 7.509 0.393 21.480 0.00 0.00 -ATOM 2090 H1 H2O 5 27 7.032 0.433 20.602 0.00 0.00 -ATOM 2091 H2 H2O 5 27 8.493 0.490 21.329 0.00 0.00 -ATOM 2092 O1 H2O 6 28 20.088 10.477 21.990 0.00 0.00 -ATOM 2093 H1 H2O 6 28 20.592 10.961 21.274 0.00 0.00 -ATOM 2094 H2 H2O 6 28 20.181 10.971 22.855 0.00 0.00 -ATOM 2095 O1 H2O 7 29 18.788 20.020 22.275 0.00 0.00 -ATOM 2096 H1 H2O 7 29 18.219 20.418 21.555 0.00 0.00 -ATOM 2097 H2 H2O 7 29 19.652 20.519 22.332 0.00 0.00 -ATOM 2098 O1 H2O 8 30 17.633 5.660 19.624 0.00 0.00 -ATOM 2099 H1 H2O 8 30 17.865 4.690 19.546 0.00 0.00 -ATOM 2100 H2 H2O 8 30 18.166 6.072 20.362 0.00 0.00 -ATOM 2101 O1 H2O 9 31 10.221 5.947 19.524 0.00 0.00 -ATOM 2102 H1 H2O 9 31 9.854 5.157 19.032 0.00 0.00 -ATOM 2103 H2 H2O 9 31 10.809 6.476 18.912 0.00 0.00 -ATOM 2104 O1 H2O 0 32 27.293 6.893 22.854 0.00 0.00 -ATOM 2105 H1 H2O 0 32 26.483 7.479 22.888 0.00 0.00 -ATOM 2106 H2 H2O 0 32 27.347 6.453 21.957 0.00 0.00 -ATOM 2107 O1 H2O 1 33 18.567 10.999 19.262 0.00 0.00 -ATOM 2108 H1 H2O 1 33 18.411 11.987 19.280 0.00 0.00 -ATOM 2109 H2 H2O 1 33 19.420 10.806 18.778 0.00 0.00 -ATOM 2110 O1 H2O 2 34 25.801 -0.005 19.370 0.00 0.00 -ATOM 2111 H1 H2O 2 34 24.986 -0.548 19.572 0.00 0.00 -ATOM 2112 H2 H2O 2 34 25.903 0.712 20.059 0.00 0.00 -ATOM 2113 O1 H2O 3 35 22.909 6.640 22.290 0.00 0.00 -ATOM 2114 H1 H2O 3 35 23.109 7.619 22.342 0.00 0.00 -ATOM 2115 H2 H2O 3 35 22.568 6.418 21.377 0.00 0.00 -ATOM 2116 O1 H2O 4 36 11.119 16.595 22.789 0.00 0.00 -ATOM 2117 H1 H2O 4 36 11.255 17.371 23.405 0.00 0.00 -ATOM 2118 H2 H2O 4 36 10.152 16.339 22.786 0.00 0.00 -ATOM 2119 O1 H2O 5 37 18.477 25.784 20.867 0.00 0.00 -ATOM 2120 H1 H2O 5 37 17.666 25.236 21.072 0.00 0.00 -ATOM 2121 H2 H2O 5 37 19.084 25.791 21.662 0.00 0.00 -ATOM 2122 O1 H2O 6 38 25.150 10.570 22.099 0.00 0.00 -ATOM 2123 H1 H2O 6 38 25.663 11.086 21.414 0.00 0.00 -ATOM 2124 H2 H2O 6 38 24.376 10.113 21.661 0.00 0.00 -ATOM 2125 O1 H2O 7 39 9.249 25.639 20.916 0.00 0.00 -ATOM 2126 H1 H2O 7 39 8.814 25.051 21.598 0.00 0.00 -ATOM 2127 H2 H2O 7 39 9.236 25.183 20.026 0.00 0.00 -ATOM 2128 O1 H2O 8 40 7.412 6.823 19.769 0.00 0.00 -ATOM 2129 H1 H2O 8 40 6.883 7.600 20.111 0.00 0.00 -ATOM 2130 H2 H2O 8 40 8.317 6.823 20.193 0.00 0.00 -ATOM 2131 O1 H2O 9 41 12.812 1.636 23.002 0.00 0.00 -ATOM 2132 H1 H2O 9 41 13.728 1.616 23.403 0.00 0.00 -ATOM 2133 H2 H2O 9 41 12.214 2.206 23.565 0.00 0.00 -ATOM 2134 O1 H2O 0 42 4.545 27.751 22.842 0.00 0.00 -ATOM 2135 H1 H2O 0 42 3.856 27.026 22.852 0.00 0.00 -ATOM 2136 H2 H2O 0 42 5.080 27.691 21.999 0.00 0.00 -ATOM 2137 O1 H2O 1 43 26.933 10.101 24.718 0.00 0.00 -ATOM 2138 H1 H2O 1 43 26.756 10.651 23.901 0.00 0.00 -ATOM 2139 H2 H2O 1 43 26.824 9.132 24.497 0.00 0.00 -ATOM 2140 O1 H2O 2 44 29.043 3.221 21.669 0.00 0.00 -ATOM 2141 H1 H2O 2 44 28.369 2.804 21.058 0.00 0.00 -ATOM 2142 H2 H2O 2 44 29.135 4.192 21.450 0.00 0.00 -ATOM 2143 O1 H2O 3 45 17.914 19.247 19.419 0.00 0.00 -ATOM 2144 H1 H2O 3 45 17.073 18.726 19.274 0.00 0.00 -ATOM 2145 H2 H2O 3 45 18.479 18.786 20.103 0.00 0.00 -ATOM 2146 O1 H2O 4 46 4.030 20.444 24.073 0.00 0.00 -ATOM 2147 H1 H2O 4 46 3.276 19.844 24.341 0.00 0.00 -ATOM 2148 H2 H2O 4 46 4.075 21.222 24.699 0.00 0.00 -ATOM 2149 O1 H2O 5 47 26.831 16.466 20.504 0.00 0.00 -ATOM 2150 H1 H2O 5 47 26.564 17.335 20.921 0.00 0.00 -ATOM 2151 H2 H2O 5 47 26.255 16.288 19.706 0.00 0.00 -ATOM 2152 O1 H2O 6 48 7.846 6.850 24.658 0.00 0.00 -ATOM 2153 H1 H2O 6 48 8.348 5.988 24.731 0.00 0.00 -ATOM 2154 H2 H2O 6 48 8.377 7.499 24.112 0.00 0.00 -ATOM 2155 O1 H2O 7 49 1.513 18.461 24.750 0.00 0.00 -ATOM 2156 H1 H2O 7 49 1.336 17.477 24.737 0.00 0.00 -ATOM 2157 H2 H2O 7 49 0.808 18.934 24.221 0.00 0.00 -ATOM 2158 O1 H2O 8 50 5.706 25.830 24.386 0.00 0.00 -ATOM 2159 H1 H2O 8 50 6.509 26.309 24.742 0.00 0.00 -ATOM 2160 H2 H2O 8 50 5.679 25.920 23.391 0.00 0.00 -ATOM 2161 O1 H2O 9 51 12.455 5.886 22.030 0.00 0.00 -ATOM 2162 H1 H2O 9 51 12.677 6.791 22.393 0.00 0.00 -ATOM 2163 H2 H2O 9 51 11.482 5.701 22.166 0.00 0.00 -ATOM 2164 O1 H2O 0 52 4.845 5.407 18.861 0.00 0.00 -ATOM 2165 H1 H2O 0 52 5.259 6.312 18.758 0.00 0.00 -ATOM 2166 H2 H2O 0 52 5.559 4.708 18.824 0.00 0.00 -ATOM 2167 O1 H2O 1 53 -0.055 7.346 23.842 0.00 0.00 -ATOM 2168 H1 H2O 1 53 0.578 6.575 23.912 0.00 0.00 -ATOM 2169 H2 H2O 1 53 -0.142 7.787 24.736 0.00 0.00 -ATOM 2170 O1 H2O 2 54 19.925 13.297 22.734 0.00 0.00 -ATOM 2171 H1 H2O 2 54 20.289 13.047 23.632 0.00 0.00 -ATOM 2172 H2 H2O 2 54 19.344 14.106 22.824 0.00 0.00 -ATOM 2173 O1 H2O 3 55 5.564 11.620 23.964 0.00 0.00 -ATOM 2174 H1 H2O 3 55 5.398 10.890 24.627 0.00 0.00 -ATOM 2175 H2 H2O 3 55 5.115 12.458 24.273 0.00 0.00 -ATOM 2176 O1 H2O 4 56 3.327 17.343 23.600 0.00 0.00 -ATOM 2177 H1 H2O 4 56 2.996 16.407 23.720 0.00 0.00 -ATOM 2178 H2 H2O 4 56 3.905 17.594 24.376 0.00 0.00 -ATOM 2179 O1 H2O 5 57 13.814 23.055 24.750 0.00 0.00 -ATOM 2180 H1 H2O 5 57 13.780 22.412 23.984 0.00 0.00 -ATOM 2181 H2 H2O 5 57 13.917 23.985 24.399 0.00 0.00 -ATOM 2182 O1 H2O 6 58 18.376 16.216 18.820 0.00 0.00 -ATOM 2183 H1 H2O 6 58 17.391 16.389 18.855 0.00 0.00 -ATOM 2184 H2 H2O 6 58 18.819 16.655 19.601 0.00 0.00 -ATOM 2185 O1 H2O 7 59 27.577 19.490 19.479 0.00 0.00 -ATOM 2186 H1 H2O 7 59 28.038 19.999 18.752 0.00 0.00 -ATOM 2187 H2 H2O 7 59 26.611 19.375 19.244 0.00 0.00 -ATOM 2188 O1 H2O 8 60 23.328 27.435 23.856 0.00 0.00 -ATOM 2189 H1 H2O 8 60 22.463 27.934 23.893 0.00 0.00 -ATOM 2190 H2 H2O 8 60 23.510 27.017 24.746 0.00 0.00 -ATOM 2191 O1 H2O 9 61 5.848 0.443 24.399 0.00 0.00 -ATOM 2192 H1 H2O 9 61 4.940 0.674 24.748 0.00 0.00 -ATOM 2193 H2 H2O 9 61 5.811 0.361 23.403 0.00 0.00 -ATOM 2194 O1 H2O 0 62 6.603 22.956 19.713 0.00 0.00 -ATOM 2195 H1 H2O 0 62 6.801 22.774 18.750 0.00 0.00 -ATOM 2196 H2 H2O 0 62 6.131 22.168 20.111 0.00 0.00 -ATOM 2197 O1 H2O 1 63 25.336 9.753 19.157 0.00 0.00 -ATOM 2198 H1 H2O 1 63 25.420 10.683 18.798 0.00 0.00 -ATOM 2199 H2 H2O 1 63 26.097 9.197 18.822 0.00 0.00 -ATOM 2200 O1 H2O 2 64 18.847 23.506 21.730 0.00 0.00 -ATOM 2201 H1 H2O 2 64 18.873 22.508 21.800 0.00 0.00 -ATOM 2202 H2 H2O 2 64 18.510 23.891 22.589 0.00 0.00 -ATOM 2203 O1 H2O 3 65 21.143 23.723 19.618 0.00 0.00 -ATOM 2204 H1 H2O 3 65 21.402 23.297 18.750 0.00 0.00 -ATOM 2205 H2 H2O 3 65 21.168 23.038 20.346 0.00 0.00 -ATOM 2206 O1 H2O 4 66 28.819 20.814 23.353 0.00 0.00 -ATOM 2207 H1 H2O 4 66 29.134 21.761 23.296 0.00 0.00 -ATOM 2208 H2 H2O 4 66 28.288 20.590 22.536 0.00 0.00 -ATOM 2209 O1 H2O 5 67 20.738 26.626 19.088 0.00 0.00 -ATOM 2210 H1 H2O 5 67 20.066 26.886 19.782 0.00 0.00 -ATOM 2211 H2 H2O 5 67 21.640 26.965 19.354 0.00 0.00 -ATOM 2212 O1 H2O 6 68 17.198 28.969 23.657 0.00 0.00 -ATOM 2213 H1 H2O 6 68 17.734 28.197 24.000 0.00 0.00 -ATOM 2214 H2 H2O 6 68 16.248 28.872 23.952 0.00 0.00 -ATOM 2215 O1 H2O 7 69 25.025 7.425 19.897 0.00 0.00 -ATOM 2216 H1 H2O 7 69 24.377 6.667 19.977 0.00 0.00 -ATOM 2217 H2 H2O 7 69 25.881 7.091 19.505 0.00 0.00 -ATOM 2218 O1 H2O 8 70 16.154 5.129 22.854 0.00 0.00 -ATOM 2219 H1 H2O 8 70 17.137 5.311 22.834 0.00 0.00 -ATOM 2220 H2 H2O 8 70 15.664 5.899 22.446 0.00 0.00 -ATOM 2221 O1 H2O 9 71 22.590 4.043 22.297 0.00 0.00 -ATOM 2222 H1 H2O 9 71 21.936 4.258 21.572 0.00 0.00 -ATOM 2223 H2 H2O 9 71 23.517 4.241 21.979 0.00 0.00 -ATOM 2224 O1 H2O 0 72 0.814 18.581 21.842 0.00 0.00 -ATOM 2225 H1 H2O 0 72 1.814 18.608 21.870 0.00 0.00 -ATOM 2226 H2 H2O 0 72 0.496 18.927 20.959 0.00 0.00 -ATOM 2227 O1 H2O 1 73 16.097 16.264 22.835 0.00 0.00 -ATOM 2228 H1 H2O 1 73 15.398 16.946 23.049 0.00 0.00 -ATOM 2229 H2 H2O 1 73 16.830 16.312 23.514 0.00 0.00 -ATOM 2230 O1 H2O 2 74 23.153 27.833 20.980 0.00 0.00 -ATOM 2231 H1 H2O 2 74 22.840 27.246 21.727 0.00 0.00 -ATOM 2232 H2 H2O 2 74 23.898 28.415 21.305 0.00 0.00 -ATOM 2233 O1 H2O 3 75 4.065 -0.127 21.264 0.00 0.00 -ATOM 2234 H1 H2O 3 75 3.854 -0.030 22.237 0.00 0.00 -ATOM 2235 H2 H2O 3 75 4.880 0.409 21.045 0.00 0.00 -ATOM 2236 O1 H2O 4 76 8.604 0.475 24.374 0.00 0.00 -ATOM 2237 H1 H2O 4 76 7.933 -0.165 24.748 0.00 0.00 -ATOM 2238 H2 H2O 4 76 8.279 0.822 23.494 0.00 0.00 -ATOM 2239 O1 H2O 5 77 9.213 12.246 19.521 0.00 0.00 -ATOM 2240 H1 H2O 5 77 9.569 13.174 19.406 0.00 0.00 -ATOM 2241 H2 H2O 5 77 8.589 12.033 18.769 0.00 0.00 -ATOM 2242 O1 H2O 6 78 27.114 23.482 21.224 0.00 0.00 -ATOM 2243 H1 H2O 6 78 26.942 24.463 21.127 0.00 0.00 -ATOM 2244 H2 H2O 6 78 27.203 23.068 20.318 0.00 0.00 -ATOM 2245 O1 H2O 7 79 7.813 4.607 23.031 0.00 0.00 -ATOM 2246 H1 H2O 7 79 8.409 5.327 22.676 0.00 0.00 -ATOM 2247 H2 H2O 7 79 6.895 4.717 22.650 0.00 0.00 -ATOM 2248 O1 H2O 8 80 15.989 25.593 19.461 0.00 0.00 -ATOM 2249 H1 H2O 8 80 15.395 25.942 20.186 0.00 0.00 -ATOM 2250 H2 H2O 8 80 15.450 25.038 18.827 0.00 0.00 -ATOM 2251 O1 H2O 9 81 27.733 0.023 21.379 0.00 0.00 -ATOM 2252 H1 H2O 9 81 28.201 0.580 20.693 0.00 0.00 -ATOM 2253 H2 H2O 9 81 28.083 0.250 22.288 0.00 0.00 -ATOM 2254 O1 H2O 0 82 11.210 20.953 23.931 0.00 0.00 -ATOM 2255 H1 H2O 0 82 11.408 21.925 24.060 0.00 0.00 -ATOM 2256 H2 H2O 0 82 11.492 20.445 24.745 0.00 0.00 -ATOM 2257 O1 H2O 1 83 27.017 2.122 18.757 0.00 0.00 -ATOM 2258 H1 H2O 1 83 26.529 2.935 19.076 0.00 0.00 -ATOM 2259 H2 H2O 1 83 27.991 2.217 18.963 0.00 0.00 -ATOM 2260 O1 H2O 2 84 0.017 24.659 21.010 0.00 0.00 -ATOM 2261 H1 H2O 2 84 -0.485 25.022 21.795 0.00 0.00 -ATOM 2262 H2 H2O 2 84 0.863 25.178 20.888 0.00 0.00 -ATOM 2263 O1 H2O 3 85 15.640 28.296 19.094 0.00 0.00 -ATOM 2264 H1 H2O 3 85 16.467 27.755 19.251 0.00 0.00 -ATOM 2265 H2 H2O 3 85 15.889 29.177 18.694 0.00 0.00 -ATOM 2266 O1 H2O 4 86 12.039 20.288 20.401 0.00 0.00 -ATOM 2267 H1 H2O 4 86 11.131 20.668 20.227 0.00 0.00 -ATOM 2268 H2 H2O 4 86 12.036 19.310 20.194 0.00 0.00 -ATOM 2269 O1 H2O 5 87 20.995 19.100 24.749 0.00 0.00 -ATOM 2270 H1 H2O 5 87 20.411 18.608 24.103 0.00 0.00 -ATOM 2271 H2 H2O 5 87 20.871 20.085 24.626 0.00 0.00 -ATOM 2272 O1 H2O 6 88 16.948 9.262 21.719 0.00 0.00 -ATOM 2273 H1 H2O 6 88 16.641 10.144 21.361 0.00 0.00 -ATOM 2274 H2 H2O 6 88 17.946 9.257 21.782 0.00 0.00 -ATOM 2275 O1 H2O 7 89 18.152 11.859 23.390 0.00 0.00 -ATOM 2276 H1 H2O 7 89 17.549 12.654 23.459 0.00 0.00 -ATOM 2277 H2 H2O 7 89 18.229 11.421 24.285 0.00 0.00 -ATOM 2278 O1 H2O 8 90 10.681 26.348 22.509 0.00 0.00 -ATOM 2279 H1 H2O 8 90 11.431 26.990 22.347 0.00 0.00 -ATOM 2280 H2 H2O 8 90 10.972 25.426 22.256 0.00 0.00 -ATOM 2281 O1 H2O 9 91 8.378 21.513 19.694 0.00 0.00 -ATOM 2282 H1 H2O 9 91 8.549 20.778 20.351 0.00 0.00 -ATOM 2283 H2 H2O 9 91 9.247 21.929 19.428 0.00 0.00 -ATOM 2284 O1 H2O 0 92 29.437 28.747 18.899 0.00 0.00 -ATOM 2285 H1 H2O 0 92 29.569 28.146 19.687 0.00 0.00 -ATOM 2286 H2 H2O 0 92 28.460 28.906 18.762 0.00 0.00 -ATOM 2287 O1 H2O 1 93 15.310 0.868 21.312 0.00 0.00 -ATOM 2288 H1 H2O 1 93 15.402 0.207 22.058 0.00 0.00 -ATOM 2289 H2 H2O 1 93 15.898 0.596 20.551 0.00 0.00 -ATOM 2290 O1 H2O 2 94 25.401 22.578 22.372 0.00 0.00 -ATOM 2291 H1 H2O 2 94 25.248 23.566 22.386 0.00 0.00 -ATOM 2292 H2 H2O 2 94 24.757 22.150 21.737 0.00 0.00 -ATOM 2293 O1 H2O 3 95 10.155 29.757 22.675 0.00 0.00 -ATOM 2294 H1 H2O 3 95 10.976 29.766 22.103 0.00 0.00 -ATOM 2295 H2 H2O 3 95 9.702 28.870 22.594 0.00 0.00 -ATOM 2296 O1 H2O 4 96 4.952 18.823 21.751 0.00 0.00 -ATOM 2297 H1 H2O 4 96 4.005 18.511 21.673 0.00 0.00 -ATOM 2298 H2 H2O 4 96 5.472 18.512 20.955 0.00 0.00 -ATOM 2299 O1 H2O 5 97 9.218 18.740 19.526 0.00 0.00 -ATOM 2300 H1 H2O 5 97 9.569 19.264 18.750 0.00 0.00 -ATOM 2301 H2 H2O 5 97 8.484 18.136 19.215 0.00 0.00 -ATOM 2302 O1 H2O 6 98 6.171 28.401 19.693 0.00 0.00 -ATOM 2303 H1 H2O 6 98 6.099 28.073 18.751 0.00 0.00 -ATOM 2304 H2 H2O 6 98 6.571 27.685 20.265 0.00 0.00 -ATOM 2305 O1 H2O 7 99 26.458 21.254 24.106 0.00 0.00 -ATOM 2306 H1 H2O 7 99 25.665 21.775 24.421 0.00 0.00 -ATOM 2307 H2 H2O 7 99 27.216 21.382 24.746 0.00 0.00 -ATOM 2308 O1 H2O 8 100 13.320 12.395 22.545 0.00 0.00 -ATOM 2309 H1 H2O 8 100 13.789 11.594 22.173 0.00 0.00 -ATOM 2310 H2 H2O 8 100 13.004 12.975 21.795 0.00 0.00 -ATOM 2311 O1 H2O 9 101 2.645 7.102 24.749 0.00 0.00 -ATOM 2312 H1 H2O 9 101 3.404 6.465 24.615 0.00 0.00 -ATOM 2313 H2 H2O 9 101 2.546 7.678 23.938 0.00 0.00 -ATOM 2314 O1 H2O 0 102 16.562 21.057 24.073 0.00 0.00 -ATOM 2315 H1 H2O 0 102 16.584 21.412 23.138 0.00 0.00 -ATOM 2316 H2 H2O 0 102 17.475 21.124 24.476 0.00 0.00 -ATOM 2317 O1 H2O 1 103 4.339 24.701 21.327 0.00 0.00 -ATOM 2318 H1 H2O 1 103 4.863 25.551 21.263 0.00 0.00 -ATOM 2319 H2 H2O 1 103 3.378 24.887 21.123 0.00 0.00 -ATOM 2320 O1 H2O 2 104 3.552 22.976 22.446 0.00 0.00 -ATOM 2321 H1 H2O 2 104 4.292 22.313 22.564 0.00 0.00 -ATOM 2322 H2 H2O 2 104 3.564 23.627 23.205 0.00 0.00 -ATOM 2323 O1 H2O 3 105 24.513 18.963 21.194 0.00 0.00 -ATOM 2324 H1 H2O 3 105 25.258 19.626 21.122 0.00 0.00 -ATOM 2325 H2 H2O 3 105 24.606 18.450 22.048 0.00 0.00 -ATOM 2326 O1 H2O 4 106 5.512 8.672 24.747 0.00 0.00 -ATOM 2327 H1 H2O 4 106 4.591 8.679 24.357 0.00 0.00 -ATOM 2328 H2 H2O 4 106 6.011 7.875 24.408 0.00 0.00 -ATOM 2329 O1 H2O 5 107 24.700 0.590 22.451 0.00 0.00 -ATOM 2330 H1 H2O 5 107 24.464 1.161 21.664 0.00 0.00 -ATOM 2331 H2 H2O 5 107 25.694 0.513 22.520 0.00 0.00 -ATOM 2332 O1 H2O 6 108 7.591 3.360 21.018 0.00 0.00 -ATOM 2333 H1 H2O 6 108 8.044 2.835 21.738 0.00 0.00 -ATOM 2334 H2 H2O 6 108 8.262 3.626 20.326 0.00 0.00 -ATOM 2335 O1 H2O 7 109 24.296 4.722 18.945 0.00 0.00 -ATOM 2336 H1 H2O 7 109 25.278 4.719 18.753 0.00 0.00 -ATOM 2337 H2 H2O 7 109 24.138 4.393 19.876 0.00 0.00 -ATOM 2338 O1 H2O 8 110 21.272 1.930 21.467 0.00 0.00 -ATOM 2339 H1 H2O 8 110 22.265 1.849 21.548 0.00 0.00 -ATOM 2340 H2 H2O 8 110 21.044 2.401 20.615 0.00 0.00 -ATOM 2341 O1 H2O 9 111 13.930 29.527 20.344 0.00 0.00 -ATOM 2342 H1 H2O 9 111 13.464 30.285 20.802 0.00 0.00 -ATOM 2343 H2 H2O 9 111 13.260 28.980 19.842 0.00 0.00 -ATOM 2344 O1 H2O 0 112 22.496 25.217 20.573 0.00 0.00 -ATOM 2345 H1 H2O 0 112 23.449 25.307 20.863 0.00 0.00 -ATOM 2346 H2 H2O 0 112 21.953 24.846 21.327 0.00 0.00 -ATOM 2347 O1 H2O 1 113 13.553 21.015 21.984 0.00 0.00 -ATOM 2348 H1 H2O 1 113 12.704 21.380 22.366 0.00 0.00 -ATOM 2349 H2 H2O 1 113 13.922 20.317 22.598 0.00 0.00 -ATOM 2350 O1 H2O 2 114 21.991 6.803 24.741 0.00 0.00 -ATOM 2351 H1 H2O 2 114 22.986 6.904 24.725 0.00 0.00 -ATOM 2352 H2 H2O 2 114 21.598 7.262 23.944 0.00 0.00 -ATOM 2353 O1 H2O 3 115 13.473 11.319 19.867 0.00 0.00 -ATOM 2354 H1 H2O 3 115 13.522 10.320 19.885 0.00 0.00 -ATOM 2355 H2 H2O 3 115 13.913 11.659 19.036 0.00 0.00 -ATOM 2356 O1 H2O 4 116 20.367 6.365 21.508 0.00 0.00 -ATOM 2357 H1 H2O 4 116 20.507 7.351 21.605 0.00 0.00 -ATOM 2358 H2 H2O 4 116 20.639 5.905 22.353 0.00 0.00 -ATOM 2359 O1 H2O 5 117 16.149 23.928 22.175 0.00 0.00 -ATOM 2360 H1 H2O 5 117 16.646 23.275 21.604 0.00 0.00 -ATOM 2361 H2 H2O 5 117 15.390 24.318 21.653 0.00 0.00 -ATOM 2362 O1 H2O 6 118 27.945 5.239 24.138 0.00 0.00 -ATOM 2363 H1 H2O 6 118 27.279 4.556 24.438 0.00 0.00 -ATOM 2364 H2 H2O 6 118 27.935 6.014 24.770 0.00 0.00 -ATOM 2365 O1 H2O 7 119 28.344 26.533 24.532 0.00 0.00 -ATOM 2366 H1 H2O 7 119 27.457 26.948 24.739 0.00 0.00 -ATOM 2367 H2 H2O 7 119 28.275 26.005 23.685 0.00 0.00 -ATOM 2368 O1 H2O 8 120 4.519 26.002 18.763 0.00 0.00 -ATOM 2369 H1 H2O 8 120 5.422 26.029 19.192 0.00 0.00 -ATOM 2370 H2 H2O 8 120 3.862 26.489 19.338 0.00 0.00 -ATOM 2371 O1 H2O 9 121 5.153 14.241 20.867 0.00 0.00 -ATOM 2372 H1 H2O 9 121 4.558 13.441 20.957 0.00 0.00 -ATOM 2373 H2 H2O 9 121 5.701 14.156 20.034 0.00 0.00 -ATOM 2374 O1 H2O 0 122 19.023 26.384 24.354 0.00 0.00 -ATOM 2375 H1 H2O 0 122 18.788 25.414 24.285 0.00 0.00 -ATOM 2376 H2 H2O 0 122 19.640 26.631 23.607 0.00 0.00 -ATOM 2377 O1 H2O 1 123 24.828 5.766 22.923 0.00 0.00 -ATOM 2378 H1 H2O 1 123 25.538 5.141 23.248 0.00 0.00 -ATOM 2379 H2 H2O 1 123 25.033 6.043 21.984 0.00 0.00 -ATOM 2380 O1 H2O 2 124 16.001 20.632 18.971 0.00 0.00 -ATOM 2381 H1 H2O 2 124 15.405 20.666 19.774 0.00 0.00 -ATOM 2382 H2 H2O 2 124 16.770 21.258 19.101 0.00 0.00 -ATOM 2383 O1 H2O 3 125 1.334 8.880 19.101 0.00 0.00 -ATOM 2384 H1 H2O 3 125 0.631 8.169 19.091 0.00 0.00 -ATOM 2385 H2 H2O 3 125 1.227 9.444 19.920 0.00 0.00 -ATOM 2386 O1 H2O 4 126 5.688 8.899 22.227 0.00 0.00 -ATOM 2387 H1 H2O 4 126 4.874 8.318 22.211 0.00 0.00 -ATOM 2388 H2 H2O 4 126 5.457 9.786 22.628 0.00 0.00 -ATOM 2389 O1 H2O 5 127 8.370 22.971 24.753 0.00 0.00 -ATOM 2390 H1 H2O 5 127 7.873 22.103 24.733 0.00 0.00 -ATOM 2391 H2 H2O 5 127 7.788 23.696 24.385 0.00 0.00 -ATOM 2392 O1 H2O 6 128 0.306 0.825 24.409 0.00 0.00 -ATOM 2393 H1 H2O 6 128 0.451 1.796 24.602 0.00 0.00 -ATOM 2394 H2 H2O 6 128 1.121 0.308 24.672 0.00 0.00 -ATOM 2395 O1 H2O 7 129 13.037 29.168 22.954 0.00 0.00 -ATOM 2396 H1 H2O 7 129 12.896 28.622 22.128 0.00 0.00 -ATOM 2397 H2 H2O 7 129 13.708 28.716 23.541 0.00 0.00 -ATOM 2398 O1 H2O 8 130 22.002 6.823 19.286 0.00 0.00 -ATOM 2399 H1 H2O 8 130 22.206 5.845 19.237 0.00 0.00 -ATOM 2400 H2 H2O 8 130 22.675 7.331 18.749 0.00 0.00 -ATOM 2401 O1 H2O 9 131 13.546 24.831 22.079 0.00 0.00 -ATOM 2402 H1 H2O 9 131 13.126 25.323 22.842 0.00 0.00 -ATOM 2403 H2 H2O 9 131 13.088 25.083 21.227 0.00 0.00 -ATOM 2404 O1 H2O 0 132 26.164 2.823 21.674 0.00 0.00 -ATOM 2405 H1 H2O 0 132 25.735 2.711 22.571 0.00 0.00 -ATOM 2406 H2 H2O 0 132 25.463 3.041 20.995 0.00 0.00 -ATOM 2407 O1 H2O 1 133 27.850 25.338 19.321 0.00 0.00 -ATOM 2408 H1 H2O 1 133 28.170 24.574 18.760 0.00 0.00 -ATOM 2409 H2 H2O 1 133 27.836 26.173 18.770 0.00 0.00 -ATOM 2410 O1 H2O 2 134 8.381 10.034 23.409 0.00 0.00 -ATOM 2411 H1 H2O 2 134 8.678 10.543 24.216 0.00 0.00 -ATOM 2412 H2 H2O 2 134 9.176 9.623 22.962 0.00 0.00 -ATOM 2413 O1 H2O 3 135 24.078 13.164 19.702 0.00 0.00 -ATOM 2414 H1 H2O 3 135 24.475 12.752 20.523 0.00 0.00 -ATOM 2415 H2 H2O 3 135 24.521 12.783 18.891 0.00 0.00 -ATOM 2416 O1 H2O 4 136 17.698 27.973 21.102 0.00 0.00 -ATOM 2417 H1 H2O 4 136 16.975 28.623 21.336 0.00 0.00 -ATOM 2418 H2 H2O 4 136 18.570 28.301 21.464 0.00 0.00 -ATOM 2419 O1 H2O 5 137 22.433 21.238 20.364 0.00 0.00 -ATOM 2420 H1 H2O 5 137 22.384 20.258 20.556 0.00 0.00 -ATOM 2421 H2 H2O 5 137 22.932 21.386 19.511 0.00 0.00 -ATOM 2422 O1 H2O 6 138 4.874 9.531 19.275 0.00 0.00 -ATOM 2423 H1 H2O 6 138 5.747 9.622 18.795 0.00 0.00 -ATOM 2424 H2 H2O 6 138 4.172 10.055 18.793 0.00 0.00 -ATOM 2425 O1 H2O 7 139 26.046 17.418 23.349 0.00 0.00 -ATOM 2426 H1 H2O 7 139 26.796 16.827 23.050 0.00 0.00 -ATOM 2427 H2 H2O 7 139 25.609 17.019 24.154 0.00 0.00 -ATOM 2428 O1 H2O 8 140 11.377 29.817 18.931 0.00 0.00 -ATOM 2429 H1 H2O 8 140 11.357 28.835 18.744 0.00 0.00 -ATOM 2430 H2 H2O 8 140 10.473 30.208 18.759 0.00 0.00 -ATOM 2431 O1 H2O 9 141 23.216 2.255 19.590 0.00 0.00 -ATOM 2432 H1 H2O 9 141 23.103 1.262 19.581 0.00 0.00 -ATOM 2433 H2 H2O 9 141 23.708 2.542 18.768 0.00 0.00 -ATOM 2434 O1 H2O 0 142 20.642 4.025 24.759 0.00 0.00 -ATOM 2435 H1 H2O 0 142 21.462 3.453 24.715 0.00 0.00 -ATOM 2436 H2 H2O 0 142 20.818 4.895 24.299 0.00 0.00 -ATOM 2437 O1 H2O 1 143 12.963 13.605 24.413 0.00 0.00 -ATOM 2438 H1 H2O 1 143 13.923 13.332 24.476 0.00 0.00 -ATOM 2439 H2 H2O 1 143 12.848 14.243 23.651 0.00 0.00 -ATOM 2440 O1 H2O 2 144 6.782 16.188 19.655 0.00 0.00 -ATOM 2441 H1 H2O 2 144 6.357 17.068 19.442 0.00 0.00 -ATOM 2442 H2 H2O 2 144 6.726 16.020 20.639 0.00 0.00 -ATOM 2443 O1 H2O 3 145 21.169 0.297 19.902 0.00 0.00 -ATOM 2444 H1 H2O 3 145 20.617 0.758 19.207 0.00 0.00 -ATOM 2445 H2 H2O 3 145 21.325 -0.652 19.627 0.00 0.00 -ATOM 2446 O1 H2O 4 146 27.472 5.306 19.042 0.00 0.00 -ATOM 2447 H1 H2O 4 146 27.869 6.223 19.089 0.00 0.00 -ATOM 2448 H2 H2O 4 146 27.750 4.782 19.847 0.00 0.00 -ATOM 2449 O1 H2O 5 147 6.156 16.890 24.728 0.00 0.00 -ATOM 2450 H1 H2O 5 147 5.521 16.118 24.751 0.00 0.00 -ATOM 2451 H2 H2O 5 147 6.675 16.869 23.874 0.00 0.00 -ATOM 2452 O1 H2O 6 148 21.197 24.688 24.526 0.00 0.00 -ATOM 2453 H1 H2O 6 148 21.247 25.661 24.752 0.00 0.00 -ATOM 2454 H2 H2O 6 148 20.717 24.573 23.656 0.00 0.00 -ATOM 2455 O1 H2O 7 149 26.594 13.244 19.543 0.00 0.00 -ATOM 2456 H1 H2O 7 149 26.822 12.287 19.363 0.00 0.00 -ATOM 2457 H2 H2O 7 149 27.054 13.827 18.874 0.00 0.00 -ATOM 2458 O1 H2O 8 150 2.384 3.142 23.270 0.00 0.00 -ATOM 2459 H1 H2O 8 150 2.323 2.895 24.237 0.00 0.00 -ATOM 2460 H2 H2O 8 150 3.344 3.147 22.988 0.00 0.00 -ATOM 2461 O1 H2O 9 151 22.239 22.509 23.816 0.00 0.00 -ATOM 2462 H1 H2O 9 151 21.943 22.163 24.706 0.00 0.00 -ATOM 2463 H2 H2O 9 151 21.461 22.521 23.188 0.00 0.00 -ATOM 2464 O1 H2O 0 152 9.636 28.034 19.857 0.00 0.00 -ATOM 2465 H1 H2O 0 152 8.770 27.664 20.196 0.00 0.00 -ATOM 2466 H2 H2O 0 152 9.894 28.831 20.403 0.00 0.00 -ATOM 2467 O1 H2O 1 153 27.526 8.814 21.417 0.00 0.00 -ATOM 2468 H1 H2O 1 153 27.431 9.359 22.250 0.00 0.00 -ATOM 2469 H2 H2O 1 153 26.651 8.789 20.934 0.00 0.00 -ATOM 2470 O1 H2O 2 154 2.959 4.010 18.751 0.00 0.00 -ATOM 2471 H1 H2O 2 154 3.714 3.487 19.146 0.00 0.00 -ATOM 2472 H2 H2O 2 154 2.179 3.995 19.377 0.00 0.00 -ATOM 2473 O1 H2O 3 155 3.342 7.651 20.396 0.00 0.00 -ATOM 2474 H1 H2O 3 155 2.827 7.274 19.626 0.00 0.00 -ATOM 2475 H2 H2O 3 155 4.198 7.144 20.504 0.00 0.00 -ATOM 2476 O1 H2O 4 156 2.779 5.123 22.204 0.00 0.00 -ATOM 2477 H1 H2O 4 156 3.777 5.180 22.255 0.00 0.00 -ATOM 2478 H2 H2O 4 156 2.465 5.546 21.354 0.00 0.00 -ATOM 2479 O1 H2O 5 157 8.423 18.055 22.896 0.00 0.00 -ATOM 2480 H1 H2O 5 157 7.584 18.597 22.857 0.00 0.00 -ATOM 2481 H2 H2O 5 157 8.825 18.128 23.808 0.00 0.00 -ATOM 2482 O1 H2O 6 158 11.659 26.211 19.940 0.00 0.00 -ATOM 2483 H1 H2O 6 158 12.414 26.848 20.099 0.00 0.00 -ATOM 2484 H2 H2O 6 158 11.208 26.438 19.076 0.00 0.00 -ATOM 2485 O1 H2O 7 159 29.275 12.387 20.555 0.00 0.00 -ATOM 2486 H1 H2O 7 159 29.704 11.578 20.153 0.00 0.00 -ATOM 2487 H2 H2O 7 159 28.459 12.113 21.063 0.00 0.00 -ATOM 2488 O1 H2O 8 160 0.062 9.991 22.078 0.00 0.00 -ATOM 2489 H1 H2O 8 160 0.646 10.734 22.407 0.00 0.00 -ATOM 2490 H2 H2O 8 160 0.194 9.184 22.653 0.00 0.00 -ATOM 2491 O1 H2O 9 161 23.012 0.905 24.761 0.00 0.00 -ATOM 2492 H1 H2O 9 161 23.590 1.714 24.656 0.00 0.00 -ATOM 2493 H2 H2O 9 161 23.290 0.209 24.099 0.00 0.00 -ATOM 2494 O1 H2O 0 162 8.521 1.647 19.380 0.00 0.00 -ATOM 2495 H1 H2O 0 162 7.977 1.107 18.737 0.00 0.00 -ATOM 2496 H2 H2O 0 162 9.174 2.209 18.873 0.00 0.00 -ATOM 2497 O1 H2O 1 163 25.036 7.871 24.748 0.00 0.00 -ATOM 2498 H1 H2O 1 163 24.618 8.111 23.872 0.00 0.00 -ATOM 2499 H2 H2O 1 163 25.364 6.927 24.714 0.00 0.00 -ATOM 2500 O1 H2O 2 164 27.972 23.531 24.131 0.00 0.00 -ATOM 2501 H1 H2O 2 164 27.193 23.917 24.626 0.00 0.00 -ATOM 2502 H2 H2O 2 164 28.811 23.694 24.650 0.00 0.00 -ATOM 2503 O1 H2O 3 165 7.707 27.323 22.518 0.00 0.00 -ATOM 2504 H1 H2O 3 165 7.199 28.167 22.345 0.00 0.00 -ATOM 2505 H2 H2O 3 165 7.277 26.567 22.024 0.00 0.00 -ATOM 2506 O1 H2O 4 166 28.869 16.188 22.682 0.00 0.00 -ATOM 2507 H1 H2O 4 166 29.645 16.271 23.307 0.00 0.00 -ATOM 2508 H2 H2O 4 166 29.005 16.794 21.898 0.00 0.00 -ATOM 2509 O1 H2O 5 167 3.289 19.753 19.748 0.00 0.00 -ATOM 2510 H1 H2O 5 167 4.153 20.255 19.778 0.00 0.00 -ATOM 2511 H2 H2O 5 167 2.797 19.987 18.910 0.00 0.00 -ATOM 2512 O1 H2O 6 168 16.388 18.979 22.299 0.00 0.00 -ATOM 2513 H1 H2O 6 168 16.913 18.174 22.022 0.00 0.00 -ATOM 2514 H2 H2O 6 168 16.201 19.547 21.497 0.00 0.00 -ATOM 2515 O1 H2O 7 169 1.551 25.406 22.950 0.00 0.00 -ATOM 2516 H1 H2O 7 169 0.990 25.787 23.684 0.00 0.00 -ATOM 2517 H2 H2O 7 169 1.517 24.407 22.990 0.00 0.00 -ATOM 2518 O1 H2O 8 170 2.913 22.748 19.431 0.00 0.00 -ATOM 2519 H1 H2O 8 170 3.469 22.801 20.261 0.00 0.00 -ATOM 2520 H2 H2O 8 170 2.984 23.609 18.927 0.00 0.00 -ATOM 2521 O1 H2O 9 171 11.122 13.667 20.885 0.00 0.00 -ATOM 2522 H1 H2O 9 171 11.792 14.235 20.407 0.00 0.00 -ATOM 2523 H2 H2O 9 171 10.566 14.242 21.486 0.00 0.00 -ATOM 2524 O1 H2O 0 172 19.216 0.642 20.925 0.00 0.00 -ATOM 2525 H1 H2O 0 172 18.217 0.658 20.974 0.00 0.00 -ATOM 2526 H2 H2O 0 172 19.593 0.541 21.845 0.00 0.00 -ATOM 2527 O1 H2O 1 173 24.590 26.042 19.095 0.00 0.00 -ATOM 2528 H1 H2O 1 173 24.637 26.871 19.652 0.00 0.00 -ATOM 2529 H2 H2O 1 173 23.656 25.920 18.758 0.00 0.00 -ATOM 2530 O1 H2O 2 174 4.358 16.022 22.018 0.00 0.00 -ATOM 2531 H1 H2O 2 174 5.305 16.125 22.323 0.00 0.00 -ATOM 2532 H2 H2O 2 174 4.262 16.401 21.098 0.00 0.00 -ATOM 2533 O1 H2O 3 175 11.500 9.963 24.096 0.00 0.00 -ATOM 2534 H1 H2O 3 175 12.360 10.174 24.561 0.00 0.00 -ATOM 2535 H2 H2O 3 175 10.747 10.010 24.752 0.00 0.00 -ATOM 2536 O1 H2O 4 176 18.402 29.001 18.680 0.00 0.00 -ATOM 2537 H1 H2O 4 176 17.979 29.895 18.829 0.00 0.00 -ATOM 2538 H2 H2O 4 176 19.094 28.838 19.384 0.00 0.00 -ATOM 2539 O1 H2O 5 177 24.514 12.755 23.384 0.00 0.00 -ATOM 2540 H1 H2O 5 177 24.445 13.737 23.566 0.00 0.00 -ATOM 2541 H2 H2O 5 177 25.126 12.335 24.054 0.00 0.00 -ATOM 2542 O1 H2O 6 178 12.007 3.683 20.771 0.00 0.00 -ATOM 2543 H1 H2O 6 178 11.484 3.241 21.501 0.00 0.00 -ATOM 2544 H2 H2O 6 178 12.938 3.860 21.090 0.00 0.00 -ATOM 2545 O1 H2O 7 179 25.339 25.850 22.328 0.00 0.00 -ATOM 2546 H1 H2O 7 179 24.893 26.737 22.449 0.00 0.00 -ATOM 2547 H2 H2O 7 179 25.864 25.627 23.148 0.00 0.00 -ATOM 2548 O1 H2O 8 180 16.398 26.165 23.371 0.00 0.00 -ATOM 2549 H1 H2O 8 180 17.292 26.328 22.953 0.00 0.00 -ATOM 2550 H2 H2O 8 180 16.490 26.163 24.366 0.00 0.00 -ATOM 2551 O1 H2O 9 181 9.688 24.774 24.645 0.00 0.00 -ATOM 2552 H1 H2O 9 181 9.384 25.074 23.740 0.00 0.00 -ATOM 2553 H2 H2O 9 181 10.662 24.973 24.751 0.00 0.00 -ATOM 2554 O1 H2O 0 182 1.347 0.881 21.752 0.00 0.00 -ATOM 2555 H1 H2O 0 182 2.187 1.377 21.972 0.00 0.00 -ATOM 2556 H2 H2O 0 182 1.554 0.142 21.110 0.00 0.00 -ATOM 2557 O1 H2O 1 183 10.556 12.614 23.040 0.00 0.00 -ATOM 2558 H1 H2O 1 183 9.973 12.284 22.297 0.00 0.00 -ATOM 2559 H2 H2O 1 183 10.054 12.569 23.903 0.00 0.00 -ATOM 2560 O1 H2O 2 184 28.839 14.090 21.946 0.00 0.00 -ATOM 2561 H1 H2O 2 184 27.858 14.243 22.069 0.00 0.00 -ATOM 2562 H2 H2O 2 184 29.311 14.243 22.814 0.00 0.00 -ATOM 2563 O1 H2O 3 185 17.535 3.627 24.778 0.00 0.00 -ATOM 2564 H1 H2O 3 185 16.673 3.189 24.522 0.00 0.00 -ATOM 2565 H2 H2O 3 185 18.278 3.245 24.230 0.00 0.00 -ATOM 2566 O1 H2O 4 186 7.362 14.234 23.269 0.00 0.00 -ATOM 2567 H1 H2O 4 186 6.399 13.971 23.203 0.00 0.00 -ATOM 2568 H2 H2O 4 186 7.828 14.009 22.414 0.00 0.00 -ATOM 2569 O1 H2O 5 187 28.115 10.555 18.953 0.00 0.00 -ATOM 2570 H1 H2O 5 187 28.914 9.989 18.751 0.00 0.00 -ATOM 2571 H2 H2O 5 187 27.805 10.373 19.887 0.00 0.00 -ATOM 2572 O1 H2O 6 188 5.515 23.624 24.359 0.00 0.00 -ATOM 2573 H1 H2O 6 188 5.708 22.696 24.677 0.00 0.00 -ATOM 2574 H2 H2O 6 188 5.816 23.720 23.410 0.00 0.00 -ATOM 2575 O1 H2O 7 189 22.424 10.354 19.829 0.00 0.00 -ATOM 2576 H1 H2O 7 189 22.489 9.682 20.567 0.00 0.00 -ATOM 2577 H2 H2O 7 189 23.343 10.652 19.569 0.00 0.00 -ATOM 2578 O1 H2O 8 190 5.673 3.666 24.459 0.00 0.00 -ATOM 2579 H1 H2O 8 190 5.209 4.500 24.159 0.00 0.00 -ATOM 2580 H2 H2O 8 190 5.065 2.882 24.330 0.00 0.00 -ATOM 2581 O1 H2O 9 191 18.074 25.439 18.707 0.00 0.00 -ATOM 2582 H1 H2O 9 191 18.961 25.011 18.879 0.00 0.00 -ATOM 2583 H2 H2O 9 191 18.157 26.430 18.804 0.00 0.00 -ATOM 2584 O1 H2O 0 192 19.908 29.545 24.713 0.00 0.00 -ATOM 2585 H1 H2O 0 192 19.894 28.758 24.096 0.00 0.00 -ATOM 2586 H2 H2O 0 192 19.140 30.148 24.501 0.00 0.00 -ATOM 2587 O1 H2O 1 193 22.243 13.162 21.446 0.00 0.00 -ATOM 2588 H1 H2O 1 193 22.532 13.973 21.956 0.00 0.00 -ATOM 2589 H2 H2O 1 193 21.779 13.443 20.606 0.00 0.00 -ATOM 2590 O1 H2O 2 194 21.092 1.466 23.837 0.00 0.00 -ATOM 2591 H1 H2O 2 194 20.430 2.054 23.372 0.00 0.00 -ATOM 2592 H2 H2O 2 194 21.279 0.663 23.270 0.00 0.00 -ATOM 2593 O1 H2O 3 195 6.858 20.937 22.397 0.00 0.00 -ATOM 2594 H1 H2O 3 195 6.962 20.652 23.350 0.00 0.00 -ATOM 2595 H2 H2O 3 195 5.908 20.808 22.113 0.00 0.00 -ATOM 2596 O1 H2O 4 196 28.790 17.601 19.627 0.00 0.00 -ATOM 2597 H1 H2O 4 196 29.002 16.628 19.527 0.00 0.00 -ATOM 2598 H2 H2O 4 196 29.316 18.126 18.958 0.00 0.00 -ATOM 2599 O1 H2O 5 197 13.535 7.489 20.314 0.00 0.00 -ATOM 2600 H1 H2O 5 197 13.436 6.564 19.948 0.00 0.00 -ATOM 2601 H2 H2O 5 197 13.213 8.151 19.638 0.00 0.00 -ATOM 2602 O1 H2O 6 198 21.111 18.096 20.523 0.00 0.00 -ATOM 2603 H1 H2O 6 198 20.678 18.875 20.070 0.00 0.00 -ATOM 2604 H2 H2O 6 198 20.411 17.541 20.972 0.00 0.00 -ATOM 2605 O1 H2O 7 199 26.337 28.633 23.907 0.00 0.00 -ATOM 2606 H1 H2O 7 199 26.657 28.345 23.004 0.00 0.00 -ATOM 2607 H2 H2O 7 199 25.549 28.079 24.173 0.00 0.00 -ATOM 2608 O1 H2O 8 200 23.881 20.115 23.711 0.00 0.00 -ATOM 2609 H1 H2O 8 200 23.683 20.825 24.388 0.00 0.00 -ATOM 2610 H2 H2O 8 200 24.702 19.614 23.985 0.00 0.00 -ATOM 2611 O1 H2O 9 201 19.625 3.469 21.674 0.00 0.00 -ATOM 2612 H1 H2O 9 201 19.846 4.073 20.908 0.00 0.00 -ATOM 2613 H2 H2O 9 201 19.261 4.012 22.431 0.00 0.00 -ATOM 2614 O1 H2O 0 202 23.712 3.876 24.202 0.00 0.00 -ATOM 2615 H1 H2O 0 202 24.547 3.817 24.749 0.00 0.00 -ATOM 2616 H2 H2O 0 202 23.261 4.751 24.377 0.00 0.00 -ATOM 2617 O1 H2O 1 203 1.161 12.469 24.528 0.00 0.00 -ATOM 2618 H1 H2O 1 203 0.444 12.392 23.835 0.00 0.00 -ATOM 2619 H2 H2O 1 203 1.326 13.435 24.729 0.00 0.00 -ATOM 2620 O1 H2O 2 204 11.354 9.819 19.816 0.00 0.00 -ATOM 2621 H1 H2O 2 204 10.514 10.342 19.669 0.00 0.00 -ATOM 2622 H2 H2O 2 204 11.235 9.210 20.600 0.00 0.00 -ATOM 2623 O1 h2o 1 205 16.982 2.029 22.265 0.00 0.00 -ATOM 2624 H1 h2o 1 205 16.154 2.555 22.460 0.00 0.00 -ATOM 2625 H2 h2o 1 205 17.316 1.606 23.107 0.00 0.00 -ATOM 2626 O1 h2o 2 206 0.555 28.201 22.048 0.00 0.00 -ATOM 2627 H1 h2o 2 206 1.035 27.391 21.710 0.00 0.00 -ATOM 2628 H2 h2o 2 206 -0.312 27.927 22.463 0.00 0.00 -ATOM 2629 O1 h2o 3 207 18.849 8.069 23.996 0.00 0.00 -ATOM 2630 H1 h2o 3 207 19.405 7.256 23.819 0.00 0.00 -ATOM 2631 H2 h2o 3 207 18.097 7.832 24.611 0.00 0.00 -ATOM 2632 O1 h2o 4 208 6.710 11.974 20.758 0.00 0.00 -ATOM 2633 H1 h2o 4 208 5.952 11.973 20.104 0.00 0.00 -ATOM 2634 H2 h2o 4 208 6.457 12.511 21.562 0.00 0.00 -ATOM 2635 O1 h2o 5 209 1.770 21.669 21.349 0.00 0.00 -ATOM 2636 H1 h2o 5 209 1.537 22.127 22.208 0.00 0.00 -ATOM 2637 H2 h2o 5 209 2.377 20.896 21.536 0.00 0.00 -END -REMARK GOMC 2 1000000 -CRYST1 29.472 29.777 26.750 90.00 90.00 90.00 P 1 1 -ATOM 1 C1 TOP 1 1 15.350 15.597 10.050 0.00 1.00 -ATOM 2 C2 TOP 1 1 15.350 15.597 13.400 0.00 1.00 -ATOM 3 C3 TOP 1 1 15.350 15.597 16.750 0.00 1.00 -ATOM 4 C4 TOP 1 1 14.122 17.724 10.050 0.00 1.00 -ATOM 5 C5 TOP 1 1 14.122 17.724 13.400 0.00 1.00 -ATOM 6 C6 TOP 1 1 14.122 17.724 16.750 0.00 1.00 -ATOM 7 C7 TOP 1 1 12.894 19.851 10.050 0.00 1.00 -ATOM 8 C8 TOP 1 1 12.894 19.851 13.400 0.00 1.00 -ATOM 9 C9 TOP 1 1 12.894 19.851 16.750 0.00 1.00 -ATOM 10 CA TOP 1 1 11.666 21.978 10.050 0.00 1.00 -ATOM 11 CB TOP 1 1 11.666 21.978 13.400 0.00 1.00 -ATOM 12 CC TOP 1 1 11.666 21.978 16.750 0.00 1.00 -ATOM 13 CD TOP 1 1 10.438 24.105 10.050 0.00 1.00 -ATOM 14 CE TOP 1 1 10.438 24.105 13.400 0.00 1.00 -ATOM 15 CF TOP 1 1 10.438 24.105 16.750 0.00 1.00 -ATOM 16 CG TOP 1 1 9.210 26.232 10.050 0.00 1.00 -ATOM 17 CH TOP 1 1 9.210 26.232 13.400 0.00 1.00 -ATOM 18 CI TOP 1 1 9.210 26.232 16.750 0.00 1.00 -ATOM 19 CJ TOP 1 1 7.982 28.359 10.050 0.00 1.00 -ATOM 20 CK TOP 1 1 7.982 28.359 13.400 0.00 1.00 -ATOM 21 CL TOP 1 1 7.982 28.359 16.750 0.00 1.00 -ATOM 22 CM TOP 1 1 6.754 0.709 10.050 0.00 1.00 -ATOM 23 CN TOP 1 1 6.754 0.709 13.400 0.00 1.00 -ATOM 24 CO TOP 1 1 6.754 0.709 16.750 0.00 1.00 -ATOM 25 CP TOP 1 1 5.526 2.836 10.050 0.00 1.00 -ATOM 26 CQ TOP 1 1 5.526 2.836 13.400 0.00 1.00 -ATOM 27 CR TOP 1 1 5.526 2.836 16.750 0.00 1.00 -ATOM 28 CS TOP 1 1 4.298 4.963 10.050 0.00 1.00 -ATOM 29 CT TOP 1 1 4.298 4.963 13.400 0.00 1.00 -ATOM 30 CU TOP 1 1 4.298 4.963 16.750 0.00 1.00 -ATOM 31 CV TOP 1 1 3.070 7.090 10.050 0.00 1.00 -ATOM 32 CW TOP 1 1 3.070 7.090 13.400 0.00 1.00 -ATOM 33 CX TOP 1 1 3.070 7.090 16.750 0.00 1.00 -ATOM 34 CY TOP 1 1 1.842 9.217 10.050 0.00 1.00 -ATOM 35 CZ TOP 1 1 1.842 9.217 13.400 0.00 1.00 -ATOM 36 Ca TOP 1 1 1.842 9.217 16.750 0.00 1.00 -ATOM 37 Cb TOP 1 1 0.614 11.344 10.050 0.00 1.00 -ATOM 38 Cc TOP 1 1 0.614 11.344 13.400 0.00 1.00 -ATOM 39 Cd TOP 1 1 0.614 11.344 16.750 0.00 1.00 -ATOM 40 Ce TOP 1 1 28.858 13.471 10.050 0.00 1.00 -ATOM 41 Cf TOP 1 1 28.858 13.471 13.400 0.00 1.00 -ATOM 42 Cg TOP 1 1 28.858 13.471 16.750 0.00 1.00 -ATOM 43 Ch TOP 1 1 17.806 15.597 10.050 0.00 1.00 -ATOM 44 Ci TOP 1 1 17.806 15.597 13.400 0.00 1.00 -ATOM 45 Cj TOP 1 1 17.806 15.597 16.750 0.00 1.00 -ATOM 46 Ck TOP 1 1 16.578 17.724 10.050 0.00 1.00 -ATOM 47 Cl TOP 1 1 16.578 17.724 13.400 0.00 1.00 -ATOM 48 Cm TOP 1 1 16.578 17.724 16.750 0.00 1.00 -ATOM 49 Cn TOP 1 1 15.350 19.851 10.050 0.00 1.00 -ATOM 50 Co TOP 1 1 15.350 19.851 13.400 0.00 1.00 -ATOM 51 Cp TOP 1 1 15.350 19.851 16.750 0.00 1.00 -ATOM 52 Cq TOP 1 1 14.122 21.978 10.050 0.00 1.00 -ATOM 53 Cr TOP 1 1 14.122 21.978 13.400 0.00 1.00 -ATOM 54 Cs TOP 1 1 14.122 21.978 16.750 0.00 1.00 -ATOM 55 Ct TOP 1 1 12.894 24.105 10.050 0.00 1.00 -ATOM 56 Cu TOP 1 1 12.894 24.105 13.400 0.00 1.00 -ATOM 57 Cv TOP 1 1 12.894 24.105 16.750 0.00 1.00 -ATOM 58 Cw TOP 1 1 11.666 26.232 10.050 0.00 1.00 -ATOM 59 Cx TOP 1 1 11.666 26.232 13.400 0.00 1.00 -ATOM 60 Cy TOP 1 1 11.666 26.232 16.750 0.00 1.00 -ATOM 61 Cz TOP 1 1 10.438 28.359 10.050 0.00 1.00 -ATOM 62 C10 TOP 1 1 10.438 28.359 13.400 0.00 1.00 -ATOM 63 C11 TOP 1 1 10.438 28.359 16.750 0.00 1.00 -ATOM 64 C12 TOP 1 1 9.210 0.709 10.050 0.00 1.00 -ATOM 65 C13 TOP 1 1 9.210 0.709 13.400 0.00 1.00 -ATOM 66 C14 TOP 1 1 9.210 0.709 16.750 0.00 1.00 -ATOM 67 C15 TOP 1 1 7.982 2.836 10.050 0.00 1.00 -ATOM 68 C16 TOP 1 1 7.982 2.836 13.400 0.00 1.00 -ATOM 69 C17 TOP 1 1 7.982 2.836 16.750 0.00 1.00 -ATOM 70 C18 TOP 1 1 6.754 4.963 10.050 0.00 1.00 -ATOM 71 C19 TOP 1 1 6.754 4.963 13.400 0.00 1.00 -ATOM 72 C1A TOP 1 1 6.754 4.963 16.750 0.00 1.00 -ATOM 73 C1B TOP 1 1 5.526 7.090 10.050 0.00 1.00 -ATOM 74 C1C TOP 1 1 5.526 7.090 13.400 0.00 1.00 -ATOM 75 C1D TOP 1 1 5.526 7.090 16.750 0.00 1.00 -ATOM 76 C1E TOP 1 1 4.298 9.217 10.050 0.00 1.00 -ATOM 77 C1F TOP 1 1 4.298 9.217 13.400 0.00 1.00 -ATOM 78 C1G TOP 1 1 4.298 9.217 16.750 0.00 1.00 -ATOM 79 C1H TOP 1 1 3.070 11.344 10.050 0.00 1.00 -ATOM 80 C1I TOP 1 1 3.070 11.344 13.400 0.00 1.00 -ATOM 81 C1J TOP 1 1 3.070 11.344 16.750 0.00 1.00 -ATOM 82 C1K TOP 1 1 1.842 13.471 10.050 0.00 1.00 -ATOM 83 C1L TOP 1 1 1.842 13.471 13.400 0.00 1.00 -ATOM 84 C1M TOP 1 1 1.842 13.471 16.750 0.00 1.00 -ATOM 85 C1N TOP 1 1 20.262 15.597 10.050 0.00 1.00 -ATOM 86 C1O TOP 1 1 20.262 15.597 13.400 0.00 1.00 -ATOM 87 C1P TOP 1 1 20.262 15.597 16.750 0.00 1.00 -ATOM 88 C1Q TOP 1 1 19.034 17.724 10.050 0.00 1.00 -ATOM 89 C1R TOP 1 1 19.034 17.724 13.400 0.00 1.00 -ATOM 90 C1S TOP 1 1 19.034 17.724 16.750 0.00 1.00 -ATOM 91 C1T TOP 1 1 17.806 19.851 10.050 0.00 1.00 -ATOM 92 C1U TOP 1 1 17.806 19.851 13.400 0.00 1.00 -ATOM 93 C1V TOP 1 1 17.806 19.851 16.750 0.00 1.00 -ATOM 94 C1W TOP 1 1 16.578 21.978 10.050 0.00 1.00 -ATOM 95 C1X TOP 1 1 16.578 21.978 13.400 0.00 1.00 -ATOM 96 C1Y TOP 1 1 16.578 21.978 16.750 0.00 1.00 -ATOM 97 C1Z TOP 1 1 15.350 24.105 10.050 0.00 1.00 -ATOM 98 C1a TOP 1 1 15.350 24.105 13.400 0.00 1.00 -ATOM 99 C1b TOP 1 1 15.350 24.105 16.750 0.00 1.00 -ATOM 100 C1c TOP 1 1 14.122 26.232 10.050 0.00 1.00 -ATOM 101 C1d TOP 1 1 14.122 26.232 13.400 0.00 1.00 -ATOM 102 C1e TOP 1 1 14.122 26.232 16.750 0.00 1.00 -ATOM 103 C1f TOP 1 1 12.894 28.359 10.050 0.00 1.00 -ATOM 104 C1g TOP 1 1 12.894 28.359 13.400 0.00 1.00 -ATOM 105 C1h TOP 1 1 12.894 28.359 16.750 0.00 1.00 -ATOM 106 C1i TOP 1 1 11.666 0.709 10.050 0.00 1.00 -ATOM 107 C1j TOP 1 1 11.666 0.709 13.400 0.00 1.00 -ATOM 108 C1k TOP 1 1 11.666 0.709 16.750 0.00 1.00 -ATOM 109 C1l TOP 1 1 10.438 2.836 10.050 0.00 1.00 -ATOM 110 C1m TOP 1 1 10.438 2.836 13.400 0.00 1.00 -ATOM 111 C1n TOP 1 1 10.438 2.836 16.750 0.00 1.00 -ATOM 112 C1o TOP 1 1 9.210 4.963 10.050 0.00 1.00 -ATOM 113 C1p TOP 1 1 9.210 4.963 13.400 0.00 1.00 -ATOM 114 C1q TOP 1 1 9.210 4.963 16.750 0.00 1.00 -ATOM 115 C1r TOP 1 1 7.982 7.090 10.050 0.00 1.00 -ATOM 116 C1s TOP 1 1 7.982 7.090 13.400 0.00 1.00 -ATOM 117 C1t TOP 1 1 7.982 7.090 16.750 0.00 1.00 -ATOM 118 C1u TOP 1 1 6.754 9.217 10.050 0.00 1.00 -ATOM 119 C1v TOP 1 1 6.754 9.217 13.400 0.00 1.00 -ATOM 120 C1w TOP 1 1 6.754 9.217 16.750 0.00 1.00 -ATOM 121 C1x TOP 1 1 5.526 11.344 10.050 0.00 1.00 -ATOM 122 C1y TOP 1 1 5.526 11.344 13.400 0.00 1.00 -ATOM 123 C1z TOP 1 1 5.526 11.344 16.750 0.00 1.00 -ATOM 124 C20 TOP 1 1 4.298 13.471 10.050 0.00 1.00 -ATOM 125 C21 TOP 1 1 4.298 13.471 13.400 0.00 1.00 -ATOM 126 C22 TOP 1 1 4.298 13.471 16.750 0.00 1.00 -ATOM 127 C23 TOP 1 1 22.718 15.597 10.050 0.00 1.00 -ATOM 128 C24 TOP 1 1 22.718 15.597 13.400 0.00 1.00 -ATOM 129 C25 TOP 1 1 22.718 15.597 16.750 0.00 1.00 -ATOM 130 C26 TOP 1 1 21.490 17.724 10.050 0.00 1.00 -ATOM 131 C27 TOP 1 1 21.490 17.724 13.400 0.00 1.00 -ATOM 132 C28 TOP 1 1 21.490 17.724 16.750 0.00 1.00 -ATOM 133 C29 TOP 1 1 20.262 19.851 10.050 0.00 1.00 -ATOM 134 C2A TOP 1 1 20.262 19.851 13.400 0.00 1.00 -ATOM 135 C2B TOP 1 1 20.262 19.851 16.750 0.00 1.00 -ATOM 136 C2C TOP 1 1 19.034 21.978 10.050 0.00 1.00 -ATOM 137 C2D TOP 1 1 19.034 21.978 13.400 0.00 1.00 -ATOM 138 C2E TOP 1 1 19.034 21.978 16.750 0.00 1.00 -ATOM 139 C2F TOP 1 1 17.806 24.105 10.050 0.00 1.00 -ATOM 140 C2G TOP 1 1 17.806 24.105 13.400 0.00 1.00 -ATOM 141 C2H TOP 1 1 17.806 24.105 16.750 0.00 1.00 -ATOM 142 C2I TOP 1 1 16.578 26.232 10.050 0.00 1.00 -ATOM 143 C2J TOP 1 1 16.578 26.232 13.400 0.00 1.00 -ATOM 144 C2K TOP 1 1 16.578 26.232 16.750 0.00 1.00 -ATOM 145 C2L TOP 1 1 15.350 28.359 10.050 0.00 1.00 -ATOM 146 C2M TOP 1 1 15.350 28.359 13.400 0.00 1.00 -ATOM 147 C2N TOP 1 1 15.350 28.359 16.750 0.00 1.00 -ATOM 148 C2O TOP 1 1 14.122 0.709 10.050 0.00 1.00 -ATOM 149 C2P TOP 1 1 14.122 0.709 13.400 0.00 1.00 -ATOM 150 C2Q TOP 1 1 14.122 0.709 16.750 0.00 1.00 -ATOM 151 C2R TOP 1 1 12.894 2.836 10.050 0.00 1.00 -ATOM 152 C2S TOP 1 1 12.894 2.836 13.400 0.00 1.00 -ATOM 153 C2T TOP 1 1 12.894 2.836 16.750 0.00 1.00 -ATOM 154 C2U TOP 1 1 11.666 4.963 10.050 0.00 1.00 -ATOM 155 C2V TOP 1 1 11.666 4.963 13.400 0.00 1.00 -ATOM 156 C2W TOP 1 1 11.666 4.963 16.750 0.00 1.00 -ATOM 157 C2X TOP 1 1 10.438 7.090 10.050 0.00 1.00 -ATOM 158 C2Y TOP 1 1 10.438 7.090 13.400 0.00 1.00 -ATOM 159 C2Z TOP 1 1 10.438 7.090 16.750 0.00 1.00 -ATOM 160 C2a TOP 1 1 9.210 9.217 10.050 0.00 1.00 -ATOM 161 C2b TOP 1 1 9.210 9.217 13.400 0.00 1.00 -ATOM 162 C2c TOP 1 1 9.210 9.217 16.750 0.00 1.00 -ATOM 163 C2d TOP 1 1 7.982 11.344 10.050 0.00 1.00 -ATOM 164 C2e TOP 1 1 7.982 11.344 13.400 0.00 1.00 -ATOM 165 C2f TOP 1 1 7.982 11.344 16.750 0.00 1.00 -ATOM 166 C2g TOP 1 1 6.754 13.471 10.050 0.00 1.00 -ATOM 167 C2h TOP 1 1 6.754 13.471 13.400 0.00 1.00 -ATOM 168 C2i TOP 1 1 6.754 13.471 16.750 0.00 1.00 -ATOM 169 C2j TOP 1 1 25.174 15.597 10.050 0.00 1.00 -ATOM 170 C2k TOP 1 1 25.174 15.597 13.400 0.00 1.00 -ATOM 171 C2l TOP 1 1 25.174 15.597 16.750 0.00 1.00 -ATOM 172 C2m TOP 1 1 23.946 17.724 10.050 0.00 1.00 -ATOM 173 C2n TOP 1 1 23.946 17.724 13.400 0.00 1.00 -ATOM 174 C2o TOP 1 1 23.946 17.724 16.750 0.00 1.00 -ATOM 175 C2p TOP 1 1 22.718 19.851 10.050 0.00 1.00 -ATOM 176 C2q TOP 1 1 22.718 19.851 13.400 0.00 1.00 -ATOM 177 C2r TOP 1 1 22.718 19.851 16.750 0.00 1.00 -ATOM 178 C2s TOP 1 1 21.490 21.978 10.050 0.00 1.00 -ATOM 179 C2t TOP 1 1 21.490 21.978 13.400 0.00 1.00 -ATOM 180 C2u TOP 1 1 21.490 21.978 16.750 0.00 1.00 -ATOM 181 C2v TOP 1 1 20.262 24.105 10.050 0.00 1.00 -ATOM 182 C2w TOP 1 1 20.262 24.105 13.400 0.00 1.00 -ATOM 183 C2x TOP 1 1 20.262 24.105 16.750 0.00 1.00 -ATOM 184 C2y TOP 1 1 19.034 26.232 10.050 0.00 1.00 -ATOM 185 C2z TOP 1 1 19.034 26.232 13.400 0.00 1.00 -ATOM 186 C30 TOP 1 1 19.034 26.232 16.750 0.00 1.00 -ATOM 187 C31 TOP 1 1 17.806 28.359 10.050 0.00 1.00 -ATOM 188 C32 TOP 1 1 17.806 28.359 13.400 0.00 1.00 -ATOM 189 C33 TOP 1 1 17.806 28.359 16.750 0.00 1.00 -ATOM 190 C34 TOP 1 1 16.578 0.709 10.050 0.00 1.00 -ATOM 191 C35 TOP 1 1 16.578 0.709 13.400 0.00 1.00 -ATOM 192 C36 TOP 1 1 16.578 0.709 16.750 0.00 1.00 -ATOM 193 C37 TOP 1 1 15.350 2.836 10.050 0.00 1.00 -ATOM 194 C38 TOP 1 1 15.350 2.836 13.400 0.00 1.00 -ATOM 195 C39 TOP 1 1 15.350 2.836 16.750 0.00 1.00 -ATOM 196 C3A TOP 1 1 14.122 4.963 10.050 0.00 1.00 -ATOM 197 C3B TOP 1 1 14.122 4.963 13.400 0.00 1.00 -ATOM 198 C3C TOP 1 1 14.122 4.963 16.750 0.00 1.00 -ATOM 199 C3D TOP 1 1 12.894 7.090 10.050 0.00 1.00 -ATOM 200 C3E TOP 1 1 12.894 7.090 13.400 0.00 1.00 -ATOM 201 C3F TOP 1 1 12.894 7.090 16.750 0.00 1.00 -ATOM 202 C3G TOP 1 1 11.666 9.217 10.050 0.00 1.00 -ATOM 203 C3H TOP 1 1 11.666 9.217 13.400 0.00 1.00 -ATOM 204 C3I TOP 1 1 11.666 9.217 16.750 0.00 1.00 -ATOM 205 C3J TOP 1 1 10.438 11.344 10.050 0.00 1.00 -ATOM 206 C3K TOP 1 1 10.438 11.344 13.400 0.00 1.00 -ATOM 207 C3L TOP 1 1 10.438 11.344 16.750 0.00 1.00 -ATOM 208 C3M TOP 1 1 9.210 13.471 10.050 0.00 1.00 -ATOM 209 C3N TOP 1 1 9.210 13.471 13.400 0.00 1.00 -ATOM 210 C3O TOP 1 1 9.210 13.471 16.750 0.00 1.00 -ATOM 211 C3P TOP 1 1 27.630 15.597 10.050 0.00 1.00 -ATOM 212 C3Q TOP 1 1 27.630 15.597 13.400 0.00 1.00 -ATOM 213 C3R TOP 1 1 27.630 15.597 16.750 0.00 1.00 -ATOM 214 C3S TOP 1 1 26.402 17.724 10.050 0.00 1.00 -ATOM 215 C3T TOP 1 1 26.402 17.724 13.400 0.00 1.00 -ATOM 216 C3U TOP 1 1 26.402 17.724 16.750 0.00 1.00 -ATOM 217 C3V TOP 1 1 25.174 19.851 10.050 0.00 1.00 -ATOM 218 C3W TOP 1 1 25.174 19.851 13.400 0.00 1.00 -ATOM 219 C3X TOP 1 1 25.174 19.851 16.750 0.00 1.00 -ATOM 220 C3Y TOP 1 1 23.946 21.978 10.050 0.00 1.00 -ATOM 221 C3Z TOP 1 1 23.946 21.978 13.400 0.00 1.00 -ATOM 222 C3a TOP 1 1 23.946 21.978 16.750 0.00 1.00 -ATOM 223 C3b TOP 1 1 22.718 24.105 10.050 0.00 1.00 -ATOM 224 C3c TOP 1 1 22.718 24.105 13.400 0.00 1.00 -ATOM 225 C3d TOP 1 1 22.718 24.105 16.750 0.00 1.00 -ATOM 226 C3e TOP 1 1 21.490 26.232 10.050 0.00 1.00 -ATOM 227 C3f TOP 1 1 21.490 26.232 13.400 0.00 1.00 -ATOM 228 C3g TOP 1 1 21.490 26.232 16.750 0.00 1.00 -ATOM 229 C3h TOP 1 1 20.262 28.359 10.050 0.00 1.00 -ATOM 230 C3i TOP 1 1 20.262 28.359 13.400 0.00 1.00 -ATOM 231 C3j TOP 1 1 20.262 28.359 16.750 0.00 1.00 -ATOM 232 C3k TOP 1 1 19.034 0.709 10.050 0.00 1.00 -ATOM 233 C3l TOP 1 1 19.034 0.709 13.400 0.00 1.00 -ATOM 234 C3m TOP 1 1 19.034 0.709 16.750 0.00 1.00 -ATOM 235 C3n TOP 1 1 17.806 2.836 10.050 0.00 1.00 -ATOM 236 C3o TOP 1 1 17.806 2.836 13.400 0.00 1.00 -ATOM 237 C3p TOP 1 1 17.806 2.836 16.750 0.00 1.00 -ATOM 238 C3q TOP 1 1 16.578 4.963 10.050 0.00 1.00 -ATOM 239 C3r TOP 1 1 16.578 4.963 13.400 0.00 1.00 -ATOM 240 C3s TOP 1 1 16.578 4.963 16.750 0.00 1.00 -ATOM 241 C3t TOP 1 1 15.350 7.090 10.050 0.00 1.00 -ATOM 242 C3u TOP 1 1 15.350 7.090 13.400 0.00 1.00 -ATOM 243 C3v TOP 1 1 15.350 7.090 16.750 0.00 1.00 -ATOM 244 C3w TOP 1 1 14.122 9.217 10.050 0.00 1.00 -ATOM 245 C3x TOP 1 1 14.122 9.217 13.400 0.00 1.00 -ATOM 246 C3y TOP 1 1 14.122 9.217 16.750 0.00 1.00 -ATOM 247 C3z TOP 1 1 12.894 11.344 10.050 0.00 1.00 -ATOM 248 C40 TOP 1 1 12.894 11.344 13.400 0.00 1.00 -ATOM 249 C41 TOP 1 1 12.894 11.344 16.750 0.00 1.00 -ATOM 250 C42 TOP 1 1 11.666 13.471 10.050 0.00 1.00 -ATOM 251 C43 TOP 1 1 11.666 13.471 13.400 0.00 1.00 -ATOM 252 C44 TOP 1 1 11.666 13.471 16.750 0.00 1.00 -ATOM 253 C45 TOP 1 1 0.614 15.597 10.050 0.00 1.00 -ATOM 254 C46 TOP 1 1 0.614 15.597 13.400 0.00 1.00 -ATOM 255 C47 TOP 1 1 0.614 15.597 16.750 0.00 1.00 -ATOM 256 C48 TOP 1 1 28.858 17.724 10.050 0.00 1.00 -ATOM 257 C49 TOP 1 1 28.858 17.724 13.400 0.00 1.00 -ATOM 258 C4A TOP 1 1 28.858 17.724 16.750 0.00 1.00 -ATOM 259 C4B TOP 1 1 27.630 19.851 10.050 0.00 1.00 -ATOM 260 C4C TOP 1 1 27.630 19.851 13.400 0.00 1.00 -ATOM 261 C4D TOP 1 1 27.630 19.851 16.750 0.00 1.00 -ATOM 262 C4E TOP 1 1 26.402 21.978 10.050 0.00 1.00 -ATOM 263 C4F TOP 1 1 26.402 21.978 13.400 0.00 1.00 -ATOM 264 C4G TOP 1 1 26.402 21.978 16.750 0.00 1.00 -ATOM 265 C4H TOP 1 1 25.174 24.105 10.050 0.00 1.00 -ATOM 266 C4I TOP 1 1 25.174 24.105 13.400 0.00 1.00 -ATOM 267 C4J TOP 1 1 25.174 24.105 16.750 0.00 1.00 -ATOM 268 C4K TOP 1 1 23.946 26.232 10.050 0.00 1.00 -ATOM 269 C4L TOP 1 1 23.946 26.232 13.400 0.00 1.00 -ATOM 270 C4M TOP 1 1 23.946 26.232 16.750 0.00 1.00 -ATOM 271 C4N TOP 1 1 22.718 28.359 10.050 0.00 1.00 -ATOM 272 C4O TOP 1 1 22.718 28.359 13.400 0.00 1.00 -ATOM 273 C4P TOP 1 1 22.718 28.359 16.750 0.00 1.00 -ATOM 274 C4Q TOP 1 1 21.490 0.709 10.050 0.00 1.00 -ATOM 275 C4R TOP 1 1 21.490 0.709 13.400 0.00 1.00 -ATOM 276 C4S TOP 1 1 21.490 0.709 16.750 0.00 1.00 -ATOM 277 C4T TOP 1 1 20.262 2.836 10.050 0.00 1.00 -ATOM 278 C4U TOP 1 1 20.262 2.836 13.400 0.00 1.00 -ATOM 279 C4V TOP 1 1 20.262 2.836 16.750 0.00 1.00 -ATOM 280 C4W TOP 1 1 19.034 4.963 10.050 0.00 1.00 -ATOM 281 C4X TOP 1 1 19.034 4.963 13.400 0.00 1.00 -ATOM 282 C4Y TOP 1 1 19.034 4.963 16.750 0.00 1.00 -ATOM 283 C4Z TOP 1 1 17.806 7.090 10.050 0.00 1.00 -ATOM 284 C4a TOP 1 1 17.806 7.090 13.400 0.00 1.00 -ATOM 285 C4b TOP 1 1 17.806 7.090 16.750 0.00 1.00 -ATOM 286 C4c TOP 1 1 16.578 9.217 10.050 0.00 1.00 -ATOM 287 C4d TOP 1 1 16.578 9.217 13.400 0.00 1.00 -ATOM 288 C4e TOP 1 1 16.578 9.217 16.750 0.00 1.00 -ATOM 289 C4f TOP 1 1 15.350 11.344 10.050 0.00 1.00 -ATOM 290 C4g TOP 1 1 15.350 11.344 13.400 0.00 1.00 -ATOM 291 C4h TOP 1 1 15.350 11.344 16.750 0.00 1.00 -ATOM 292 C4i TOP 1 1 14.122 13.471 10.050 0.00 1.00 -ATOM 293 C4j TOP 1 1 14.122 13.471 13.400 0.00 1.00 -ATOM 294 C4k TOP 1 1 14.122 13.471 16.750 0.00 1.00 -ATOM 295 C4l TOP 1 1 3.070 15.597 10.050 0.00 1.00 -ATOM 296 C4m TOP 1 1 3.070 15.597 13.400 0.00 1.00 -ATOM 297 C4n TOP 1 1 3.070 15.597 16.750 0.00 1.00 -ATOM 298 C4o TOP 1 1 1.842 17.724 10.050 0.00 1.00 -ATOM 299 C4p TOP 1 1 1.842 17.724 13.400 0.00 1.00 -ATOM 300 C4q TOP 1 1 1.842 17.724 16.750 0.00 1.00 -ATOM 301 C4r TOP 1 1 0.614 19.851 10.050 0.00 1.00 -ATOM 302 C4s TOP 1 1 0.614 19.851 13.400 0.00 1.00 -ATOM 303 C4t TOP 1 1 0.614 19.851 16.750 0.00 1.00 -ATOM 304 C4u TOP 1 1 28.858 21.978 10.050 0.00 1.00 -ATOM 305 C4v TOP 1 1 28.858 21.978 13.400 0.00 1.00 -ATOM 306 C4w TOP 1 1 28.858 21.978 16.750 0.00 1.00 -ATOM 307 C4x TOP 1 1 27.630 24.105 10.050 0.00 1.00 -ATOM 308 C4y TOP 1 1 27.630 24.105 13.400 0.00 1.00 -ATOM 309 C4z TOP 1 1 27.630 24.105 16.750 0.00 1.00 -ATOM 310 C50 TOP 1 1 26.402 26.232 10.050 0.00 1.00 -ATOM 311 C51 TOP 1 1 26.402 26.232 13.400 0.00 1.00 -ATOM 312 C52 TOP 1 1 26.402 26.232 16.750 0.00 1.00 -ATOM 313 C53 TOP 1 1 25.174 28.359 10.050 0.00 1.00 -ATOM 314 C54 TOP 1 1 25.174 28.359 13.400 0.00 1.00 -ATOM 315 C55 TOP 1 1 25.174 28.359 16.750 0.00 1.00 -ATOM 316 C56 TOP 1 1 23.946 0.709 10.050 0.00 1.00 -ATOM 317 C57 TOP 1 1 23.946 0.709 13.400 0.00 1.00 -ATOM 318 C58 TOP 1 1 23.946 0.709 16.750 0.00 1.00 -ATOM 319 C59 TOP 1 1 22.718 2.836 10.050 0.00 1.00 -ATOM 320 C5A TOP 1 1 22.718 2.836 13.400 0.00 1.00 -ATOM 321 C5B TOP 1 1 22.718 2.836 16.750 0.00 1.00 -ATOM 322 C5C TOP 1 1 21.490 4.963 10.050 0.00 1.00 -ATOM 323 C5D TOP 1 1 21.490 4.963 13.400 0.00 1.00 -ATOM 324 C5E TOP 1 1 21.490 4.963 16.750 0.00 1.00 -ATOM 325 C5F TOP 1 1 20.262 7.090 10.050 0.00 1.00 -ATOM 326 C5G TOP 1 1 20.262 7.090 13.400 0.00 1.00 -ATOM 327 C5H TOP 1 1 20.262 7.090 16.750 0.00 1.00 -ATOM 328 C5I TOP 1 1 19.034 9.217 10.050 0.00 1.00 -ATOM 329 C5J TOP 1 1 19.034 9.217 13.400 0.00 1.00 -ATOM 330 C5K TOP 1 1 19.034 9.217 16.750 0.00 1.00 -ATOM 331 C5L TOP 1 1 17.806 11.344 10.050 0.00 1.00 -ATOM 332 C5M TOP 1 1 17.806 11.344 13.400 0.00 1.00 -ATOM 333 C5N TOP 1 1 17.806 11.344 16.750 0.00 1.00 -ATOM 334 C5O TOP 1 1 16.578 13.471 10.050 0.00 1.00 -ATOM 335 C5P TOP 1 1 16.578 13.471 13.400 0.00 1.00 -ATOM 336 C5Q TOP 1 1 16.578 13.471 16.750 0.00 1.00 -ATOM 337 C5R TOP 1 1 5.526 15.597 10.050 0.00 1.00 -ATOM 338 C5S TOP 1 1 5.526 15.597 13.400 0.00 1.00 -ATOM 339 C5T TOP 1 1 5.526 15.597 16.750 0.00 1.00 -ATOM 340 C5U TOP 1 1 4.298 17.724 10.050 0.00 1.00 -ATOM 341 C5V TOP 1 1 4.298 17.724 13.400 0.00 1.00 -ATOM 342 C5W TOP 1 1 4.298 17.724 16.750 0.00 1.00 -ATOM 343 C5X TOP 1 1 3.070 19.851 10.050 0.00 1.00 -ATOM 344 C5Y TOP 1 1 3.070 19.851 13.400 0.00 1.00 -ATOM 345 C5Z TOP 1 1 3.070 19.851 16.750 0.00 1.00 -ATOM 346 C5a TOP 1 1 1.842 21.978 10.050 0.00 1.00 -ATOM 347 C5b TOP 1 1 1.842 21.978 13.400 0.00 1.00 -ATOM 348 C5c TOP 1 1 1.842 21.978 16.750 0.00 1.00 -ATOM 349 C5d TOP 1 1 0.614 24.105 10.050 0.00 1.00 -ATOM 350 C5e TOP 1 1 0.614 24.105 13.400 0.00 1.00 -ATOM 351 C5f TOP 1 1 0.614 24.105 16.750 0.00 1.00 -ATOM 352 C5g TOP 1 1 28.858 26.232 10.050 0.00 1.00 -ATOM 353 C5h TOP 1 1 28.858 26.232 13.400 0.00 1.00 -ATOM 354 C5i TOP 1 1 28.858 26.232 16.750 0.00 1.00 -ATOM 355 C5j TOP 1 1 27.630 28.359 10.050 0.00 1.00 -ATOM 356 C5k TOP 1 1 27.630 28.359 13.400 0.00 1.00 -ATOM 357 C5l TOP 1 1 27.630 28.359 16.750 0.00 1.00 -ATOM 358 C5m TOP 1 1 26.402 0.709 10.050 0.00 1.00 -ATOM 359 C5n TOP 1 1 26.402 0.709 13.400 0.00 1.00 -ATOM 360 C5o TOP 1 1 26.402 0.709 16.750 0.00 1.00 -ATOM 361 C5p TOP 1 1 25.174 2.836 10.050 0.00 1.00 -ATOM 362 C5q TOP 1 1 25.174 2.836 13.400 0.00 1.00 -ATOM 363 C5r TOP 1 1 25.174 2.836 16.750 0.00 1.00 -ATOM 364 C5s TOP 1 1 23.946 4.963 10.050 0.00 1.00 -ATOM 365 C5t TOP 1 1 23.946 4.963 13.400 0.00 1.00 -ATOM 366 C5u TOP 1 1 23.946 4.963 16.750 0.00 1.00 -ATOM 367 C5v TOP 1 1 22.718 7.090 10.050 0.00 1.00 -ATOM 368 C5w TOP 1 1 22.718 7.090 13.400 0.00 1.00 -ATOM 369 C5x TOP 1 1 22.718 7.090 16.750 0.00 1.00 -ATOM 370 C5y TOP 1 1 21.490 9.217 10.050 0.00 1.00 -ATOM 371 C5z TOP 1 1 21.490 9.217 13.400 0.00 1.00 -ATOM 372 C60 TOP 1 1 21.490 9.217 16.750 0.00 1.00 -ATOM 373 C61 TOP 1 1 20.262 11.344 10.050 0.00 1.00 -ATOM 374 C62 TOP 1 1 20.262 11.344 13.400 0.00 1.00 -ATOM 375 C63 TOP 1 1 20.262 11.344 16.750 0.00 1.00 -ATOM 376 C64 TOP 1 1 19.034 13.471 10.050 0.00 1.00 -ATOM 377 C65 TOP 1 1 19.034 13.471 13.400 0.00 1.00 -ATOM 378 C66 TOP 1 1 19.034 13.471 16.750 0.00 1.00 -ATOM 379 C67 TOP 1 1 7.982 15.597 10.050 0.00 1.00 -ATOM 380 C68 TOP 1 1 7.982 15.597 13.400 0.00 1.00 -ATOM 381 C69 TOP 1 1 7.982 15.597 16.750 0.00 1.00 -ATOM 382 C6A TOP 1 1 6.754 17.724 10.050 0.00 1.00 -ATOM 383 C6B TOP 1 1 6.754 17.724 13.400 0.00 1.00 -ATOM 384 C6C TOP 1 1 6.754 17.724 16.750 0.00 1.00 -ATOM 385 C6D TOP 1 1 5.526 19.851 10.050 0.00 1.00 -ATOM 386 C6E TOP 1 1 5.526 19.851 13.400 0.00 1.00 -ATOM 387 C6F TOP 1 1 5.526 19.851 16.750 0.00 1.00 -ATOM 388 C6G TOP 1 1 4.298 21.978 10.050 0.00 1.00 -ATOM 389 C6H TOP 1 1 4.298 21.978 13.400 0.00 1.00 -ATOM 390 C6I TOP 1 1 4.298 21.978 16.750 0.00 1.00 -ATOM 391 C6J TOP 1 1 3.070 24.105 10.050 0.00 1.00 -ATOM 392 C6K TOP 1 1 3.070 24.105 13.400 0.00 1.00 -ATOM 393 C6L TOP 1 1 3.070 24.105 16.750 0.00 1.00 -ATOM 394 C6M TOP 1 1 1.842 26.232 10.050 0.00 1.00 -ATOM 395 C6N TOP 1 1 1.842 26.232 13.400 0.00 1.00 -ATOM 396 C6O TOP 1 1 1.842 26.232 16.750 0.00 1.00 -ATOM 397 C6P TOP 1 1 0.614 28.359 10.050 0.00 1.00 -ATOM 398 C6Q TOP 1 1 0.614 28.359 13.400 0.00 1.00 -ATOM 399 C6R TOP 1 1 0.614 28.359 16.750 0.00 1.00 -ATOM 400 C6S TOP 1 1 28.858 0.709 10.050 0.00 1.00 -ATOM 401 C6T TOP 1 1 28.858 0.709 13.400 0.00 1.00 -ATOM 402 C6U TOP 1 1 28.858 0.709 16.750 0.00 1.00 -ATOM 403 C6V TOP 1 1 27.630 2.836 10.050 0.00 1.00 -ATOM 404 C6W TOP 1 1 27.630 2.836 13.400 0.00 1.00 -ATOM 405 C6X TOP 1 1 27.630 2.836 16.750 0.00 1.00 -ATOM 406 C6Y TOP 1 1 26.402 4.963 10.050 0.00 1.00 -ATOM 407 C6Z TOP 1 1 26.402 4.963 13.400 0.00 1.00 -ATOM 408 C6a TOP 1 1 26.402 4.963 16.750 0.00 1.00 -ATOM 409 C6b TOP 1 1 25.174 7.090 10.050 0.00 1.00 -ATOM 410 C6c TOP 1 1 25.174 7.090 13.400 0.00 1.00 -ATOM 411 C6d TOP 1 1 25.174 7.090 16.750 0.00 1.00 -ATOM 412 C6e TOP 1 1 23.946 9.217 10.050 0.00 1.00 -ATOM 413 C6f TOP 1 1 23.946 9.217 13.400 0.00 1.00 -ATOM 414 C6g TOP 1 1 23.946 9.217 16.750 0.00 1.00 -ATOM 415 C6h TOP 1 1 22.718 11.344 10.050 0.00 1.00 -ATOM 416 C6i TOP 1 1 22.718 11.344 13.400 0.00 1.00 -ATOM 417 C6j TOP 1 1 22.718 11.344 16.750 0.00 1.00 -ATOM 418 C6k TOP 1 1 21.490 13.471 10.050 0.00 1.00 -ATOM 419 C6l TOP 1 1 21.490 13.471 13.400 0.00 1.00 -ATOM 420 C6m TOP 1 1 21.490 13.471 16.750 0.00 1.00 -ATOM 421 C6n TOP 1 1 10.438 15.597 10.050 0.00 1.00 -ATOM 422 C6o TOP 1 1 10.438 15.597 13.400 0.00 1.00 -ATOM 423 C6p TOP 1 1 10.438 15.597 16.750 0.00 1.00 -ATOM 424 C6q TOP 1 1 9.210 17.724 10.050 0.00 1.00 -ATOM 425 C6r TOP 1 1 9.210 17.724 13.400 0.00 1.00 -ATOM 426 C6s TOP 1 1 9.210 17.724 16.750 0.00 1.00 -ATOM 427 C6t TOP 1 1 7.982 19.851 10.050 0.00 1.00 -ATOM 428 C6u TOP 1 1 7.982 19.851 13.400 0.00 1.00 -ATOM 429 C6v TOP 1 1 7.982 19.851 16.750 0.00 1.00 -ATOM 430 C6w TOP 1 1 6.754 21.978 10.050 0.00 1.00 -ATOM 431 C6x TOP 1 1 6.754 21.978 13.400 0.00 1.00 -ATOM 432 C6y TOP 1 1 6.754 21.978 16.750 0.00 1.00 -ATOM 433 C6z TOP 1 1 5.526 24.105 10.050 0.00 1.00 -ATOM 434 C70 TOP 1 1 5.526 24.105 13.400 0.00 1.00 -ATOM 435 C71 TOP 1 1 5.526 24.105 16.750 0.00 1.00 -ATOM 436 C72 TOP 1 1 4.298 26.232 10.050 0.00 1.00 -ATOM 437 C73 TOP 1 1 4.298 26.232 13.400 0.00 1.00 -ATOM 438 C74 TOP 1 1 4.298 26.232 16.750 0.00 1.00 -ATOM 439 C75 TOP 1 1 3.070 28.359 10.050 0.00 1.00 -ATOM 440 C76 TOP 1 1 3.070 28.359 13.400 0.00 1.00 -ATOM 441 C77 TOP 1 1 3.070 28.359 16.750 0.00 1.00 -ATOM 442 C78 TOP 1 1 1.842 0.709 10.050 0.00 1.00 -ATOM 443 C79 TOP 1 1 1.842 0.709 13.400 0.00 1.00 -ATOM 444 C7A TOP 1 1 1.842 0.709 16.750 0.00 1.00 -ATOM 445 C7B TOP 1 1 0.614 2.836 10.050 0.00 1.00 -ATOM 446 C7C TOP 1 1 0.614 2.836 13.400 0.00 1.00 -ATOM 447 C7D TOP 1 1 0.614 2.836 16.750 0.00 1.00 -ATOM 448 C7E TOP 1 1 28.858 4.963 10.050 0.00 1.00 -ATOM 449 C7F TOP 1 1 28.858 4.963 13.400 0.00 1.00 -ATOM 450 C7G TOP 1 1 28.858 4.963 16.750 0.00 1.00 -ATOM 451 C7H TOP 1 1 27.630 7.090 10.050 0.00 1.00 -ATOM 452 C7I TOP 1 1 27.630 7.090 13.400 0.00 1.00 -ATOM 453 C7J TOP 1 1 27.630 7.090 16.750 0.00 1.00 -ATOM 454 C7K TOP 1 1 26.402 9.217 10.050 0.00 1.00 -ATOM 455 C7L TOP 1 1 26.402 9.217 13.400 0.00 1.00 -ATOM 456 C7M TOP 1 1 26.402 9.217 16.750 0.00 1.00 -ATOM 457 C7N TOP 1 1 25.174 11.344 10.050 0.00 1.00 -ATOM 458 C7O TOP 1 1 25.174 11.344 13.400 0.00 1.00 -ATOM 459 C7P TOP 1 1 25.174 11.344 16.750 0.00 1.00 -ATOM 460 C7Q TOP 1 1 23.946 13.471 10.050 0.00 1.00 -ATOM 461 C7R TOP 1 1 23.946 13.471 13.400 0.00 1.00 -ATOM 462 C7S TOP 1 1 23.946 13.471 16.750 0.00 1.00 -ATOM 463 C7T TOP 1 1 12.894 15.597 10.050 0.00 1.00 -ATOM 464 C7U TOP 1 1 12.894 15.597 13.400 0.00 1.00 -ATOM 465 C7V TOP 1 1 12.894 15.597 16.750 0.00 1.00 -ATOM 466 C7W TOP 1 1 11.666 17.724 10.050 0.00 1.00 -ATOM 467 C7X TOP 1 1 11.666 17.724 13.400 0.00 1.00 -ATOM 468 C7Y TOP 1 1 11.666 17.724 16.750 0.00 1.00 -ATOM 469 C7Z TOP 1 1 10.438 19.851 10.050 0.00 1.00 -ATOM 470 C7a TOP 1 1 10.438 19.851 13.400 0.00 1.00 -ATOM 471 C7b TOP 1 1 10.438 19.851 16.750 0.00 1.00 -ATOM 472 C7c TOP 1 1 9.210 21.978 10.050 0.00 1.00 -ATOM 473 C7d TOP 1 1 9.210 21.978 13.400 0.00 1.00 -ATOM 474 C7e TOP 1 1 9.210 21.978 16.750 0.00 1.00 -ATOM 475 C7f TOP 1 1 7.982 24.105 10.050 0.00 1.00 -ATOM 476 C7g TOP 1 1 7.982 24.105 13.400 0.00 1.00 -ATOM 477 C7h TOP 1 1 7.982 24.105 16.750 0.00 1.00 -ATOM 478 C7i TOP 1 1 6.754 26.232 10.050 0.00 1.00 -ATOM 479 C7j TOP 1 1 6.754 26.232 13.400 0.00 1.00 -ATOM 480 C7k TOP 1 1 6.754 26.232 16.750 0.00 1.00 -ATOM 481 C7l TOP 1 1 5.526 28.359 10.050 0.00 1.00 -ATOM 482 C7m TOP 1 1 5.526 28.359 13.400 0.00 1.00 -ATOM 483 C7n TOP 1 1 5.526 28.359 16.750 0.00 1.00 -ATOM 484 C7o TOP 1 1 4.298 0.709 10.050 0.00 1.00 -ATOM 485 C7p TOP 1 1 4.298 0.709 13.400 0.00 1.00 -ATOM 486 C7q TOP 1 1 4.298 0.709 16.750 0.00 1.00 -ATOM 487 C7r TOP 1 1 3.070 2.836 10.050 0.00 1.00 -ATOM 488 C7s TOP 1 1 3.070 2.836 13.400 0.00 1.00 -ATOM 489 C7t TOP 1 1 3.070 2.836 16.750 0.00 1.00 -ATOM 490 C7u TOP 1 1 1.842 4.963 10.050 0.00 1.00 -ATOM 491 C7v TOP 1 1 1.842 4.963 13.400 0.00 1.00 -ATOM 492 C7w TOP 1 1 1.842 4.963 16.750 0.00 1.00 -ATOM 493 C7x TOP 1 1 0.614 7.090 10.050 0.00 1.00 -ATOM 494 C7y TOP 1 1 0.614 7.090 13.400 0.00 1.00 -ATOM 495 C7z TOP 1 1 0.614 7.090 16.750 0.00 1.00 -ATOM 496 C80 TOP 1 1 28.858 9.217 10.050 0.00 1.00 -ATOM 497 C81 TOP 1 1 28.858 9.217 13.400 0.00 1.00 -ATOM 498 C82 TOP 1 1 28.858 9.217 16.750 0.00 1.00 -ATOM 499 C83 TOP 1 1 27.630 11.344 10.050 0.00 1.00 -ATOM 500 C84 TOP 1 1 27.630 11.344 13.400 0.00 1.00 -ATOM 501 C85 TOP 1 1 27.630 11.344 16.750 0.00 1.00 -ATOM 502 C86 TOP 1 1 26.402 13.471 10.050 0.00 1.00 -ATOM 503 C87 TOP 1 1 26.402 13.471 13.400 0.00 1.00 -ATOM 504 C88 TOP 1 1 26.402 13.471 16.750 0.00 1.00 -ATOM 505 C89 TOP 1 1 16.578 16.306 10.050 0.00 1.00 -ATOM 506 C8A TOP 1 1 16.578 16.306 13.400 0.00 1.00 -ATOM 507 C8B TOP 1 1 16.578 16.306 16.750 0.00 1.00 -ATOM 508 C8C TOP 1 1 15.350 18.433 10.050 0.00 1.00 -ATOM 509 C8D TOP 1 1 15.350 18.433 13.400 0.00 1.00 -ATOM 510 C8E TOP 1 1 15.350 18.433 16.750 0.00 1.00 -ATOM 511 C8F TOP 1 1 14.122 20.560 10.050 0.00 1.00 -ATOM 512 C8G TOP 1 1 14.122 20.560 13.400 0.00 1.00 -ATOM 513 C8H TOP 1 1 14.122 20.560 16.750 0.00 1.00 -ATOM 514 C8I TOP 1 1 12.894 22.687 10.050 0.00 1.00 -ATOM 515 C8J TOP 1 1 12.894 22.687 13.400 0.00 1.00 -ATOM 516 C8K TOP 1 1 12.894 22.687 16.750 0.00 1.00 -ATOM 517 C8L TOP 1 1 11.666 24.814 10.050 0.00 1.00 -ATOM 518 C8M TOP 1 1 11.666 24.814 13.400 0.00 1.00 -ATOM 519 C8N TOP 1 1 11.666 24.814 16.750 0.00 1.00 -ATOM 520 C8O TOP 1 1 10.438 26.941 10.050 0.00 1.00 -ATOM 521 C8P TOP 1 1 10.438 26.941 13.400 0.00 1.00 -ATOM 522 C8Q TOP 1 1 10.438 26.941 16.750 0.00 1.00 -ATOM 523 C8R TOP 1 1 9.210 29.068 10.050 0.00 1.00 -ATOM 524 C8S TOP 1 1 9.210 29.068 13.400 0.00 1.00 -ATOM 525 C8T TOP 1 1 9.210 29.068 16.750 0.00 1.00 -ATOM 526 C8U TOP 1 1 7.982 1.418 10.050 0.00 1.00 -ATOM 527 C8V TOP 1 1 7.982 1.418 13.400 0.00 1.00 -ATOM 528 C8W TOP 1 1 7.982 1.418 16.750 0.00 1.00 -ATOM 529 C8X TOP 1 1 6.754 3.545 10.050 0.00 1.00 -ATOM 530 C8Y TOP 1 1 6.754 3.545 13.400 0.00 1.00 -ATOM 531 C8Z TOP 1 1 6.754 3.545 16.750 0.00 1.00 -ATOM 532 C8a TOP 1 1 5.526 5.672 10.050 0.00 1.00 -ATOM 533 C8b TOP 1 1 5.526 5.672 13.400 0.00 1.00 -ATOM 534 C8c TOP 1 1 5.526 5.672 16.750 0.00 1.00 -ATOM 535 C8d TOP 1 1 4.298 7.799 10.050 0.00 1.00 -ATOM 536 C8e TOP 1 1 4.298 7.799 13.400 0.00 1.00 -ATOM 537 C8f TOP 1 1 4.298 7.799 16.750 0.00 1.00 -ATOM 538 C8g TOP 1 1 3.070 9.926 10.050 0.00 1.00 -ATOM 539 C8h TOP 1 1 3.070 9.926 13.400 0.00 1.00 -ATOM 540 C8i TOP 1 1 3.070 9.926 16.750 0.00 1.00 -ATOM 541 C8j TOP 1 1 1.842 12.053 10.050 0.00 1.00 -ATOM 542 C8k TOP 1 1 1.842 12.053 13.400 0.00 1.00 -ATOM 543 C8l TOP 1 1 1.842 12.053 16.750 0.00 1.00 -ATOM 544 C8m TOP 1 1 0.614 14.180 10.050 0.00 1.00 -ATOM 545 C8n TOP 1 1 0.614 14.180 13.400 0.00 1.00 -ATOM 546 C8o TOP 1 1 0.614 14.180 16.750 0.00 1.00 -ATOM 547 C8p TOP 1 1 19.034 16.306 10.050 0.00 1.00 -ATOM 548 C8q TOP 1 1 19.034 16.306 13.400 0.00 1.00 -ATOM 549 C8r TOP 1 1 19.034 16.306 16.750 0.00 1.00 -ATOM 550 C8s TOP 1 1 17.806 18.433 10.050 0.00 1.00 -ATOM 551 C8t TOP 1 1 17.806 18.433 13.400 0.00 1.00 -ATOM 552 C8u TOP 1 1 17.806 18.433 16.750 0.00 1.00 -ATOM 553 C8v TOP 1 1 16.578 20.560 10.050 0.00 1.00 -ATOM 554 C8w TOP 1 1 16.578 20.560 13.400 0.00 1.00 -ATOM 555 C8x TOP 1 1 16.578 20.560 16.750 0.00 1.00 -ATOM 556 C8y TOP 1 1 15.350 22.687 10.050 0.00 1.00 -ATOM 557 C8z TOP 1 1 15.350 22.687 13.400 0.00 1.00 -ATOM 558 C90 TOP 1 1 15.350 22.687 16.750 0.00 1.00 -ATOM 559 C91 TOP 1 1 14.122 24.814 10.050 0.00 1.00 -ATOM 560 C92 TOP 1 1 14.122 24.814 13.400 0.00 1.00 -ATOM 561 C93 TOP 1 1 14.122 24.814 16.750 0.00 1.00 -ATOM 562 C94 TOP 1 1 12.894 26.941 10.050 0.00 1.00 -ATOM 563 C95 TOP 1 1 12.894 26.941 13.400 0.00 1.00 -ATOM 564 C96 TOP 1 1 12.894 26.941 16.750 0.00 1.00 -ATOM 565 C97 TOP 1 1 11.666 29.068 10.050 0.00 1.00 -ATOM 566 C98 TOP 1 1 11.666 29.068 13.400 0.00 1.00 -ATOM 567 C99 TOP 1 1 11.666 29.068 16.750 0.00 1.00 -ATOM 568 C9A TOP 1 1 10.438 1.418 10.050 0.00 1.00 -ATOM 569 C9B TOP 1 1 10.438 1.418 13.400 0.00 1.00 -ATOM 570 C9C TOP 1 1 10.438 1.418 16.750 0.00 1.00 -ATOM 571 C9D TOP 1 1 9.210 3.545 10.050 0.00 1.00 -ATOM 572 C9E TOP 1 1 9.210 3.545 13.400 0.00 1.00 -ATOM 573 C9F TOP 1 1 9.210 3.545 16.750 0.00 1.00 -ATOM 574 C9G TOP 1 1 7.982 5.672 10.050 0.00 1.00 -ATOM 575 C9H TOP 1 1 7.982 5.672 13.400 0.00 1.00 -ATOM 576 C9I TOP 1 1 7.982 5.672 16.750 0.00 1.00 -ATOM 577 C9J TOP 1 1 6.754 7.799 10.050 0.00 1.00 -ATOM 578 C9K TOP 1 1 6.754 7.799 13.400 0.00 1.00 -ATOM 579 C9L TOP 1 1 6.754 7.799 16.750 0.00 1.00 -ATOM 580 C9M TOP 1 1 5.526 9.926 10.050 0.00 1.00 -ATOM 581 C9N TOP 1 1 5.526 9.926 13.400 0.00 1.00 -ATOM 582 C9O TOP 1 1 5.526 9.926 16.750 0.00 1.00 -ATOM 583 C9P TOP 1 1 4.298 12.053 10.050 0.00 1.00 -ATOM 584 C9Q TOP 1 1 4.298 12.053 13.400 0.00 1.00 -ATOM 585 C9R TOP 1 1 4.298 12.053 16.750 0.00 1.00 -ATOM 586 C9S TOP 1 1 3.070 14.180 10.050 0.00 1.00 -ATOM 587 C9T TOP 1 1 3.070 14.180 13.400 0.00 1.00 -ATOM 588 C9U TOP 1 1 3.070 14.180 16.750 0.00 1.00 -ATOM 589 C9V TOP 1 1 21.490 16.306 10.050 0.00 1.00 -ATOM 590 C9W TOP 1 1 21.490 16.306 13.400 0.00 1.00 -ATOM 591 C9X TOP 1 1 21.490 16.306 16.750 0.00 1.00 -ATOM 592 C9Y TOP 1 1 20.262 18.433 10.050 0.00 1.00 -ATOM 593 C9Z TOP 1 1 20.262 18.433 13.400 0.00 1.00 -ATOM 594 C9a TOP 1 1 20.262 18.433 16.750 0.00 1.00 -ATOM 595 C9b TOP 1 1 19.034 20.560 10.050 0.00 1.00 -ATOM 596 C9c TOP 1 1 19.034 20.560 13.400 0.00 1.00 -ATOM 597 C9d TOP 1 1 19.034 20.560 16.750 0.00 1.00 -ATOM 598 C9e TOP 1 1 17.806 22.687 10.050 0.00 1.00 -ATOM 599 C9f TOP 1 1 17.806 22.687 13.400 0.00 1.00 -ATOM 600 C9g TOP 1 1 17.806 22.687 16.750 0.00 1.00 -ATOM 601 C9h TOP 1 1 16.578 24.814 10.050 0.00 1.00 -ATOM 602 C9i TOP 1 1 16.578 24.814 13.400 0.00 1.00 -ATOM 603 C9j TOP 1 1 16.578 24.814 16.750 0.00 1.00 -ATOM 604 C9k TOP 1 1 15.350 26.941 10.050 0.00 1.00 -ATOM 605 C9l TOP 1 1 15.350 26.941 13.400 0.00 1.00 -ATOM 606 C9m TOP 1 1 15.350 26.941 16.750 0.00 1.00 -ATOM 607 C9n TOP 1 1 14.122 29.068 10.050 0.00 1.00 -ATOM 608 C9o TOP 1 1 14.122 29.068 13.400 0.00 1.00 -ATOM 609 C9p TOP 1 1 14.122 29.068 16.750 0.00 1.00 -ATOM 610 C9q TOP 1 1 12.894 1.418 10.050 0.00 1.00 -ATOM 611 C9r TOP 1 1 12.894 1.418 13.400 0.00 1.00 -ATOM 612 C9s TOP 1 1 12.894 1.418 16.750 0.00 1.00 -ATOM 613 C9t TOP 1 1 11.666 3.545 10.050 0.00 1.00 -ATOM 614 C9u TOP 1 1 11.666 3.545 13.400 0.00 1.00 -ATOM 615 C9v TOP 1 1 11.666 3.545 16.750 0.00 1.00 -ATOM 616 C9w TOP 1 1 10.438 5.672 10.050 0.00 1.00 -ATOM 617 C9x TOP 1 1 10.438 5.672 13.400 0.00 1.00 -ATOM 618 C9y TOP 1 1 10.438 5.672 16.750 0.00 1.00 -ATOM 619 C9z TOP 1 1 9.210 7.799 10.050 0.00 1.00 -ATOM 620 CA0 TOP 1 1 9.210 7.799 13.400 0.00 1.00 -ATOM 621 CA1 TOP 1 1 9.210 7.799 16.750 0.00 1.00 -ATOM 622 CA2 TOP 1 1 7.982 9.926 10.050 0.00 1.00 -ATOM 623 CA3 TOP 1 1 7.982 9.926 13.400 0.00 1.00 -ATOM 624 CA4 TOP 1 1 7.982 9.926 16.750 0.00 1.00 -ATOM 625 CA5 TOP 1 1 6.754 12.053 10.050 0.00 1.00 -ATOM 626 CA6 TOP 1 1 6.754 12.053 13.400 0.00 1.00 -ATOM 627 CA7 TOP 1 1 6.754 12.053 16.750 0.00 1.00 -ATOM 628 CA8 TOP 1 1 5.526 14.180 10.050 0.00 1.00 -ATOM 629 CA9 TOP 1 1 5.526 14.180 13.400 0.00 1.00 -ATOM 630 CAA TOP 1 1 5.526 14.180 16.750 0.00 1.00 -ATOM 631 CAB TOP 1 1 23.946 16.306 10.050 0.00 1.00 -ATOM 632 CAC TOP 1 1 23.946 16.306 13.400 0.00 1.00 -ATOM 633 CAD TOP 1 1 23.946 16.306 16.750 0.00 1.00 -ATOM 634 CAE TOP 1 1 22.718 18.433 10.050 0.00 1.00 -ATOM 635 CAF TOP 1 1 22.718 18.433 13.400 0.00 1.00 -ATOM 636 CAG TOP 1 1 22.718 18.433 16.750 0.00 1.00 -ATOM 637 CAH TOP 1 1 21.490 20.560 10.050 0.00 1.00 -ATOM 638 CAI TOP 1 1 21.490 20.560 13.400 0.00 1.00 -ATOM 639 CAJ TOP 1 1 21.490 20.560 16.750 0.00 1.00 -ATOM 640 CAK TOP 1 1 20.262 22.687 10.050 0.00 1.00 -ATOM 641 CAL TOP 1 1 20.262 22.687 13.400 0.00 1.00 -ATOM 642 CAM TOP 1 1 20.262 22.687 16.750 0.00 1.00 -ATOM 643 CAN TOP 1 1 19.034 24.814 10.050 0.00 1.00 -ATOM 644 CAO TOP 1 1 19.034 24.814 13.400 0.00 1.00 -ATOM 645 CAP TOP 1 1 19.034 24.814 16.750 0.00 1.00 -ATOM 646 CAQ TOP 1 1 17.806 26.941 10.050 0.00 1.00 -ATOM 647 CAR TOP 1 1 17.806 26.941 13.400 0.00 1.00 -ATOM 648 CAS TOP 1 1 17.806 26.941 16.750 0.00 1.00 -ATOM 649 CAT TOP 1 1 16.578 29.068 10.050 0.00 1.00 -ATOM 650 CAU TOP 1 1 16.578 29.068 13.400 0.00 1.00 -ATOM 651 CAV TOP 1 1 16.578 29.068 16.750 0.00 1.00 -ATOM 652 CAW TOP 1 1 15.350 1.418 10.050 0.00 1.00 -ATOM 653 CAX TOP 1 1 15.350 1.418 13.400 0.00 1.00 -ATOM 654 CAY TOP 1 1 15.350 1.418 16.750 0.00 1.00 -ATOM 655 CAZ TOP 1 1 14.122 3.545 10.050 0.00 1.00 -ATOM 656 CAa TOP 1 1 14.122 3.545 13.400 0.00 1.00 -ATOM 657 CAb TOP 1 1 14.122 3.545 16.750 0.00 1.00 -ATOM 658 CAc TOP 1 1 12.894 5.672 10.050 0.00 1.00 -ATOM 659 CAd TOP 1 1 12.894 5.672 13.400 0.00 1.00 -ATOM 660 CAe TOP 1 1 12.894 5.672 16.750 0.00 1.00 -ATOM 661 CAf TOP 1 1 11.666 7.799 10.050 0.00 1.00 -ATOM 662 CAg TOP 1 1 11.666 7.799 13.400 0.00 1.00 -ATOM 663 CAh TOP 1 1 11.666 7.799 16.750 0.00 1.00 -ATOM 664 CAi TOP 1 1 10.438 9.926 10.050 0.00 1.00 -ATOM 665 CAj TOP 1 1 10.438 9.926 13.400 0.00 1.00 -ATOM 666 CAk TOP 1 1 10.438 9.926 16.750 0.00 1.00 -ATOM 667 CAl TOP 1 1 9.210 12.053 10.050 0.00 1.00 -ATOM 668 CAm TOP 1 1 9.210 12.053 13.400 0.00 1.00 -ATOM 669 CAn TOP 1 1 9.210 12.053 16.750 0.00 1.00 -ATOM 670 CAo TOP 1 1 7.982 14.180 10.050 0.00 1.00 -ATOM 671 CAp TOP 1 1 7.982 14.180 13.400 0.00 1.00 -ATOM 672 CAq TOP 1 1 7.982 14.180 16.750 0.00 1.00 -ATOM 673 CAr TOP 1 1 26.402 16.306 10.050 0.00 1.00 -ATOM 674 CAs TOP 1 1 26.402 16.306 13.400 0.00 1.00 -ATOM 675 CAt TOP 1 1 26.402 16.306 16.750 0.00 1.00 -ATOM 676 CAu TOP 1 1 25.174 18.433 10.050 0.00 1.00 -ATOM 677 CAv TOP 1 1 25.174 18.433 13.400 0.00 1.00 -ATOM 678 CAw TOP 1 1 25.174 18.433 16.750 0.00 1.00 -ATOM 679 CAx TOP 1 1 23.946 20.560 10.050 0.00 1.00 -ATOM 680 CAy TOP 1 1 23.946 20.560 13.400 0.00 1.00 -ATOM 681 CAz TOP 1 1 23.946 20.560 16.750 0.00 1.00 -ATOM 682 CB0 TOP 1 1 22.718 22.687 10.050 0.00 1.00 -ATOM 683 CB1 TOP 1 1 22.718 22.687 13.400 0.00 1.00 -ATOM 684 CB2 TOP 1 1 22.718 22.687 16.750 0.00 1.00 -ATOM 685 CB3 TOP 1 1 21.490 24.814 10.050 0.00 1.00 -ATOM 686 CB4 TOP 1 1 21.490 24.814 13.400 0.00 1.00 -ATOM 687 CB5 TOP 1 1 21.490 24.814 16.750 0.00 1.00 -ATOM 688 CB6 TOP 1 1 20.262 26.941 10.050 0.00 1.00 -ATOM 689 CB7 TOP 1 1 20.262 26.941 13.400 0.00 1.00 -ATOM 690 CB8 TOP 1 1 20.262 26.941 16.750 0.00 1.00 -ATOM 691 CB9 TOP 1 1 19.034 29.068 10.050 0.00 1.00 -ATOM 692 CBA TOP 1 1 19.034 29.068 13.400 0.00 1.00 -ATOM 693 CBB TOP 1 1 19.034 29.068 16.750 0.00 1.00 -ATOM 694 CBC TOP 1 1 17.806 1.418 10.050 0.00 1.00 -ATOM 695 CBD TOP 1 1 17.806 1.418 13.400 0.00 1.00 -ATOM 696 CBE TOP 1 1 17.806 1.418 16.750 0.00 1.00 -ATOM 697 CBF TOP 1 1 16.578 3.545 10.050 0.00 1.00 -ATOM 698 CBG TOP 1 1 16.578 3.545 13.400 0.00 1.00 -ATOM 699 CBH TOP 1 1 16.578 3.545 16.750 0.00 1.00 -ATOM 700 CBI TOP 1 1 15.350 5.672 10.050 0.00 1.00 -ATOM 701 CBJ TOP 1 1 15.350 5.672 13.400 0.00 1.00 -ATOM 702 CBK TOP 1 1 15.350 5.672 16.750 0.00 1.00 -ATOM 703 CBL TOP 1 1 14.122 7.799 10.050 0.00 1.00 -ATOM 704 CBM TOP 1 1 14.122 7.799 13.400 0.00 1.00 -ATOM 705 CBN TOP 1 1 14.122 7.799 16.750 0.00 1.00 -ATOM 706 CBO TOP 1 1 12.894 9.926 10.050 0.00 1.00 -ATOM 707 CBP TOP 1 1 12.894 9.926 13.400 0.00 1.00 -ATOM 708 CBQ TOP 1 1 12.894 9.926 16.750 0.00 1.00 -ATOM 709 CBR TOP 1 1 11.666 12.053 10.050 0.00 1.00 -ATOM 710 CBS TOP 1 1 11.666 12.053 13.400 0.00 1.00 -ATOM 711 CBT TOP 1 1 11.666 12.053 16.750 0.00 1.00 -ATOM 712 CBU TOP 1 1 10.438 14.180 10.050 0.00 1.00 -ATOM 713 CBV TOP 1 1 10.438 14.180 13.400 0.00 1.00 -ATOM 714 CBW TOP 1 1 10.438 14.180 16.750 0.00 1.00 -ATOM 715 CBX TOP 1 1 28.858 16.306 10.050 0.00 1.00 -ATOM 716 CBY TOP 1 1 28.858 16.306 13.400 0.00 1.00 -ATOM 717 CBZ TOP 1 1 28.858 16.306 16.750 0.00 1.00 -ATOM 718 CBa TOP 1 1 27.630 18.433 10.050 0.00 1.00 -ATOM 719 CBb TOP 1 1 27.630 18.433 13.400 0.00 1.00 -ATOM 720 CBc TOP 1 1 27.630 18.433 16.750 0.00 1.00 -ATOM 721 CBd TOP 1 1 26.402 20.560 10.050 0.00 1.00 -ATOM 722 CBe TOP 1 1 26.402 20.560 13.400 0.00 1.00 -ATOM 723 CBf TOP 1 1 26.402 20.560 16.750 0.00 1.00 -ATOM 724 CBg TOP 1 1 25.174 22.687 10.050 0.00 1.00 -ATOM 725 CBh TOP 1 1 25.174 22.687 13.400 0.00 1.00 -ATOM 726 CBi TOP 1 1 25.174 22.687 16.750 0.00 1.00 -ATOM 727 CBj TOP 1 1 23.946 24.814 10.050 0.00 1.00 -ATOM 728 CBk TOP 1 1 23.946 24.814 13.400 0.00 1.00 -ATOM 729 CBl TOP 1 1 23.946 24.814 16.750 0.00 1.00 -ATOM 730 CBm TOP 1 1 22.718 26.941 10.050 0.00 1.00 -ATOM 731 CBn TOP 1 1 22.718 26.941 13.400 0.00 1.00 -ATOM 732 CBo TOP 1 1 22.718 26.941 16.750 0.00 1.00 -ATOM 733 CBp TOP 1 1 21.490 29.068 10.050 0.00 1.00 -ATOM 734 CBq TOP 1 1 21.490 29.068 13.400 0.00 1.00 -ATOM 735 CBr TOP 1 1 21.490 29.068 16.750 0.00 1.00 -ATOM 736 CBs TOP 1 1 20.262 1.418 10.050 0.00 1.00 -ATOM 737 CBt TOP 1 1 20.262 1.418 13.400 0.00 1.00 -ATOM 738 CBu TOP 1 1 20.262 1.418 16.750 0.00 1.00 -ATOM 739 CBv TOP 1 1 19.034 3.545 10.050 0.00 1.00 -ATOM 740 CBw TOP 1 1 19.034 3.545 13.400 0.00 1.00 -ATOM 741 CBx TOP 1 1 19.034 3.545 16.750 0.00 1.00 -ATOM 742 CBy TOP 1 1 17.806 5.672 10.050 0.00 1.00 -ATOM 743 CBz TOP 1 1 17.806 5.672 13.400 0.00 1.00 -ATOM 744 CC0 TOP 1 1 17.806 5.672 16.750 0.00 1.00 -ATOM 745 CC1 TOP 1 1 16.578 7.799 10.050 0.00 1.00 -ATOM 746 CC2 TOP 1 1 16.578 7.799 13.400 0.00 1.00 -ATOM 747 CC3 TOP 1 1 16.578 7.799 16.750 0.00 1.00 -ATOM 748 CC4 TOP 1 1 15.350 9.926 10.050 0.00 1.00 -ATOM 749 CC5 TOP 1 1 15.350 9.926 13.400 0.00 1.00 -ATOM 750 CC6 TOP 1 1 15.350 9.926 16.750 0.00 1.00 -ATOM 751 CC7 TOP 1 1 14.122 12.053 10.050 0.00 1.00 -ATOM 752 CC8 TOP 1 1 14.122 12.053 13.400 0.00 1.00 -ATOM 753 CC9 TOP 1 1 14.122 12.053 16.750 0.00 1.00 -ATOM 754 CCA TOP 1 1 12.894 14.180 10.050 0.00 1.00 -ATOM 755 CCB TOP 1 1 12.894 14.180 13.400 0.00 1.00 -ATOM 756 CCC TOP 1 1 12.894 14.180 16.750 0.00 1.00 -ATOM 757 CCD TOP 1 1 1.842 16.306 10.050 0.00 1.00 -ATOM 758 CCE TOP 1 1 1.842 16.306 13.400 0.00 1.00 -ATOM 759 CCF TOP 1 1 1.842 16.306 16.750 0.00 1.00 -ATOM 760 CCG TOP 1 1 0.614 18.433 10.050 0.00 1.00 -ATOM 761 CCH TOP 1 1 0.614 18.433 13.400 0.00 1.00 -ATOM 762 CCI TOP 1 1 0.614 18.433 16.750 0.00 1.00 -ATOM 763 CCJ TOP 1 1 28.858 20.560 10.050 0.00 1.00 -ATOM 764 CCK TOP 1 1 28.858 20.560 13.400 0.00 1.00 -ATOM 765 CCL TOP 1 1 28.858 20.560 16.750 0.00 1.00 -ATOM 766 CCM TOP 1 1 27.630 22.687 10.050 0.00 1.00 -ATOM 767 CCN TOP 1 1 27.630 22.687 13.400 0.00 1.00 -ATOM 768 CCO TOP 1 1 27.630 22.687 16.750 0.00 1.00 -ATOM 769 CCP TOP 1 1 26.402 24.814 10.050 0.00 1.00 -ATOM 770 CCQ TOP 1 1 26.402 24.814 13.400 0.00 1.00 -ATOM 771 CCR TOP 1 1 26.402 24.814 16.750 0.00 1.00 -ATOM 772 CCS TOP 1 1 25.174 26.941 10.050 0.00 1.00 -ATOM 773 CCT TOP 1 1 25.174 26.941 13.400 0.00 1.00 -ATOM 774 CCU TOP 1 1 25.174 26.941 16.750 0.00 1.00 -ATOM 775 CCV TOP 1 1 23.946 29.068 10.050 0.00 1.00 -ATOM 776 CCW TOP 1 1 23.946 29.068 13.400 0.00 1.00 -ATOM 777 CCX TOP 1 1 23.946 29.068 16.750 0.00 1.00 -ATOM 778 CCY TOP 1 1 22.718 1.418 10.050 0.00 1.00 -ATOM 779 CCZ TOP 1 1 22.718 1.418 13.400 0.00 1.00 -ATOM 780 CCa TOP 1 1 22.718 1.418 16.750 0.00 1.00 -ATOM 781 CCb TOP 1 1 21.490 3.545 10.050 0.00 1.00 -ATOM 782 CCc TOP 1 1 21.490 3.545 13.400 0.00 1.00 -ATOM 783 CCd TOP 1 1 21.490 3.545 16.750 0.00 1.00 -ATOM 784 CCe TOP 1 1 20.262 5.672 10.050 0.00 1.00 -ATOM 785 CCf TOP 1 1 20.262 5.672 13.400 0.00 1.00 -ATOM 786 CCg TOP 1 1 20.262 5.672 16.750 0.00 1.00 -ATOM 787 CCh TOP 1 1 19.034 7.799 10.050 0.00 1.00 -ATOM 788 CCi TOP 1 1 19.034 7.799 13.400 0.00 1.00 -ATOM 789 CCj TOP 1 1 19.034 7.799 16.750 0.00 1.00 -ATOM 790 CCk TOP 1 1 17.806 9.926 10.050 0.00 1.00 -ATOM 791 CCl TOP 1 1 17.806 9.926 13.400 0.00 1.00 -ATOM 792 CCm TOP 1 1 17.806 9.926 16.750 0.00 1.00 -ATOM 793 CCn TOP 1 1 16.578 12.053 10.050 0.00 1.00 -ATOM 794 CCo TOP 1 1 16.578 12.053 13.400 0.00 1.00 -ATOM 795 CCp TOP 1 1 16.578 12.053 16.750 0.00 1.00 -ATOM 796 CCq TOP 1 1 15.350 14.180 10.050 0.00 1.00 -ATOM 797 CCr TOP 1 1 15.350 14.180 13.400 0.00 1.00 -ATOM 798 CCs TOP 1 1 15.350 14.180 16.750 0.00 1.00 -ATOM 799 CCt TOP 1 1 4.298 16.306 10.050 0.00 1.00 -ATOM 800 CCu TOP 1 1 4.298 16.306 13.400 0.00 1.00 -ATOM 801 CCv TOP 1 1 4.298 16.306 16.750 0.00 1.00 -ATOM 802 CCw TOP 1 1 3.070 18.433 10.050 0.00 1.00 -ATOM 803 CCx TOP 1 1 3.070 18.433 13.400 0.00 1.00 -ATOM 804 CCy TOP 1 1 3.070 18.433 16.750 0.00 1.00 -ATOM 805 CCz TOP 1 1 1.842 20.560 10.050 0.00 1.00 -ATOM 806 CD0 TOP 1 1 1.842 20.560 13.400 0.00 1.00 -ATOM 807 CD1 TOP 1 1 1.842 20.560 16.750 0.00 1.00 -ATOM 808 CD2 TOP 1 1 0.614 22.687 10.050 0.00 1.00 -ATOM 809 CD3 TOP 1 1 0.614 22.687 13.400 0.00 1.00 -ATOM 810 CD4 TOP 1 1 0.614 22.687 16.750 0.00 1.00 -ATOM 811 CD5 TOP 1 1 28.858 24.814 10.050 0.00 1.00 -ATOM 812 CD6 TOP 1 1 28.858 24.814 13.400 0.00 1.00 -ATOM 813 CD7 TOP 1 1 28.858 24.814 16.750 0.00 1.00 -ATOM 814 CD8 TOP 1 1 27.630 26.941 10.050 0.00 1.00 -ATOM 815 CD9 TOP 1 1 27.630 26.941 13.400 0.00 1.00 -ATOM 816 CDA TOP 1 1 27.630 26.941 16.750 0.00 1.00 -ATOM 817 CDB TOP 1 1 26.402 29.068 10.050 0.00 1.00 -ATOM 818 CDC TOP 1 1 26.402 29.068 13.400 0.00 1.00 -ATOM 819 CDD TOP 1 1 26.402 29.068 16.750 0.00 1.00 -ATOM 820 CDE TOP 1 1 25.174 1.418 10.050 0.00 1.00 -ATOM 821 CDF TOP 1 1 25.174 1.418 13.400 0.00 1.00 -ATOM 822 CDG TOP 1 1 25.174 1.418 16.750 0.00 1.00 -ATOM 823 CDH TOP 1 1 23.946 3.545 10.050 0.00 1.00 -ATOM 824 CDI TOP 1 1 23.946 3.545 13.400 0.00 1.00 -ATOM 825 CDJ TOP 1 1 23.946 3.545 16.750 0.00 1.00 -ATOM 826 CDK TOP 1 1 22.718 5.672 10.050 0.00 1.00 -ATOM 827 CDL TOP 1 1 22.718 5.672 13.400 0.00 1.00 -ATOM 828 CDM TOP 1 1 22.718 5.672 16.750 0.00 1.00 -ATOM 829 CDN TOP 1 1 21.490 7.799 10.050 0.00 1.00 -ATOM 830 CDO TOP 1 1 21.490 7.799 13.400 0.00 1.00 -ATOM 831 CDP TOP 1 1 21.490 7.799 16.750 0.00 1.00 -ATOM 832 CDQ TOP 1 1 20.262 9.926 10.050 0.00 1.00 -ATOM 833 CDR TOP 1 1 20.262 9.926 13.400 0.00 1.00 -ATOM 834 CDS TOP 1 1 20.262 9.926 16.750 0.00 1.00 -ATOM 835 CDT TOP 1 1 19.034 12.053 10.050 0.00 1.00 -ATOM 836 CDU TOP 1 1 19.034 12.053 13.400 0.00 1.00 -ATOM 837 CDV TOP 1 1 19.034 12.053 16.750 0.00 1.00 -ATOM 838 CDW TOP 1 1 17.806 14.180 10.050 0.00 1.00 -ATOM 839 CDX TOP 1 1 17.806 14.180 13.400 0.00 1.00 -ATOM 840 CDY TOP 1 1 17.806 14.180 16.750 0.00 1.00 -ATOM 841 CDZ TOP 1 1 6.754 16.306 10.050 0.00 1.00 -ATOM 842 CDa TOP 1 1 6.754 16.306 13.400 0.00 1.00 -ATOM 843 CDb TOP 1 1 6.754 16.306 16.750 0.00 1.00 -ATOM 844 CDc TOP 1 1 5.526 18.433 10.050 0.00 1.00 -ATOM 845 CDd TOP 1 1 5.526 18.433 13.400 0.00 1.00 -ATOM 846 CDe TOP 1 1 5.526 18.433 16.750 0.00 1.00 -ATOM 847 CDf TOP 1 1 4.298 20.560 10.050 0.00 1.00 -ATOM 848 CDg TOP 1 1 4.298 20.560 13.400 0.00 1.00 -ATOM 849 CDh TOP 1 1 4.298 20.560 16.750 0.00 1.00 -ATOM 850 CDi TOP 1 1 3.070 22.687 10.050 0.00 1.00 -ATOM 851 CDj TOP 1 1 3.070 22.687 13.400 0.00 1.00 -ATOM 852 CDk TOP 1 1 3.070 22.687 16.750 0.00 1.00 -ATOM 853 CDl TOP 1 1 1.842 24.814 10.050 0.00 1.00 -ATOM 854 CDm TOP 1 1 1.842 24.814 13.400 0.00 1.00 -ATOM 855 CDn TOP 1 1 1.842 24.814 16.750 0.00 1.00 -ATOM 856 CDo TOP 1 1 0.614 26.941 10.050 0.00 1.00 -ATOM 857 CDp TOP 1 1 0.614 26.941 13.400 0.00 1.00 -ATOM 858 CDq TOP 1 1 0.614 26.941 16.750 0.00 1.00 -ATOM 859 CDr TOP 1 1 28.858 29.068 10.050 0.00 1.00 -ATOM 860 CDs TOP 1 1 28.858 29.068 13.400 0.00 1.00 -ATOM 861 CDt TOP 1 1 28.858 29.068 16.750 0.00 1.00 -ATOM 862 CDu TOP 1 1 27.630 1.418 10.050 0.00 1.00 -ATOM 863 CDv TOP 1 1 27.630 1.418 13.400 0.00 1.00 -ATOM 864 CDw TOP 1 1 27.630 1.418 16.750 0.00 1.00 -ATOM 865 CDx TOP 1 1 26.402 3.545 10.050 0.00 1.00 -ATOM 866 CDy TOP 1 1 26.402 3.545 13.400 0.00 1.00 -ATOM 867 CDz TOP 1 1 26.402 3.545 16.750 0.00 1.00 -ATOM 868 CE0 TOP 1 1 25.174 5.672 10.050 0.00 1.00 -ATOM 869 CE1 TOP 1 1 25.174 5.672 13.400 0.00 1.00 -ATOM 870 CE2 TOP 1 1 25.174 5.672 16.750 0.00 1.00 -ATOM 871 CE3 TOP 1 1 23.946 7.799 10.050 0.00 1.00 -ATOM 872 CE4 TOP 1 1 23.946 7.799 13.400 0.00 1.00 -ATOM 873 CE5 TOP 1 1 23.946 7.799 16.750 0.00 1.00 -ATOM 874 CE6 TOP 1 1 22.718 9.926 10.050 0.00 1.00 -ATOM 875 CE7 TOP 1 1 22.718 9.926 13.400 0.00 1.00 -ATOM 876 CE8 TOP 1 1 22.718 9.926 16.750 0.00 1.00 -ATOM 877 CE9 TOP 1 1 21.490 12.053 10.050 0.00 1.00 -ATOM 878 CEA TOP 1 1 21.490 12.053 13.400 0.00 1.00 -ATOM 879 CEB TOP 1 1 21.490 12.053 16.750 0.00 1.00 -ATOM 880 CEC TOP 1 1 20.262 14.180 10.050 0.00 1.00 -ATOM 881 CED TOP 1 1 20.262 14.180 13.400 0.00 1.00 -ATOM 882 CEE TOP 1 1 20.262 14.180 16.750 0.00 1.00 -ATOM 883 CEF TOP 1 1 9.210 16.306 10.050 0.00 1.00 -ATOM 884 CEG TOP 1 1 9.210 16.306 13.400 0.00 1.00 -ATOM 885 CEH TOP 1 1 9.210 16.306 16.750 0.00 1.00 -ATOM 886 CEI TOP 1 1 7.982 18.433 10.050 0.00 1.00 -ATOM 887 CEJ TOP 1 1 7.982 18.433 13.400 0.00 1.00 -ATOM 888 CEK TOP 1 1 7.982 18.433 16.750 0.00 1.00 -ATOM 889 CEL TOP 1 1 6.754 20.560 10.050 0.00 1.00 -ATOM 890 CEM TOP 1 1 6.754 20.560 13.400 0.00 1.00 -ATOM 891 CEN TOP 1 1 6.754 20.560 16.750 0.00 1.00 -ATOM 892 CEO TOP 1 1 5.526 22.687 10.050 0.00 1.00 -ATOM 893 CEP TOP 1 1 5.526 22.687 13.400 0.00 1.00 -ATOM 894 CEQ TOP 1 1 5.526 22.687 16.750 0.00 1.00 -ATOM 895 CER TOP 1 1 4.298 24.814 10.050 0.00 1.00 -ATOM 896 CES TOP 1 1 4.298 24.814 13.400 0.00 1.00 -ATOM 897 CET TOP 1 1 4.298 24.814 16.750 0.00 1.00 -ATOM 898 CEU TOP 1 1 3.070 26.941 10.050 0.00 1.00 -ATOM 899 CEV TOP 1 1 3.070 26.941 13.400 0.00 1.00 -ATOM 900 CEW TOP 1 1 3.070 26.941 16.750 0.00 1.00 -ATOM 901 CEX TOP 1 1 1.842 29.068 10.050 0.00 1.00 -ATOM 902 CEY TOP 1 1 1.842 29.068 13.400 0.00 1.00 -ATOM 903 CEZ TOP 1 1 1.842 29.068 16.750 0.00 1.00 -ATOM 904 CEa TOP 1 1 0.614 1.418 10.050 0.00 1.00 -ATOM 905 CEb TOP 1 1 0.614 1.418 13.400 0.00 1.00 -ATOM 906 CEc TOP 1 1 0.614 1.418 16.750 0.00 1.00 -ATOM 907 CEd TOP 1 1 28.858 3.545 10.050 0.00 1.00 -ATOM 908 CEe TOP 1 1 28.858 3.545 13.400 0.00 1.00 -ATOM 909 CEf TOP 1 1 28.858 3.545 16.750 0.00 1.00 -ATOM 910 CEg TOP 1 1 27.630 5.672 10.050 0.00 1.00 -ATOM 911 CEh TOP 1 1 27.630 5.672 13.400 0.00 1.00 -ATOM 912 CEi TOP 1 1 27.630 5.672 16.750 0.00 1.00 -ATOM 913 CEj TOP 1 1 26.402 7.799 10.050 0.00 1.00 -ATOM 914 CEk TOP 1 1 26.402 7.799 13.400 0.00 1.00 -ATOM 915 CEl TOP 1 1 26.402 7.799 16.750 0.00 1.00 -ATOM 916 CEm TOP 1 1 25.174 9.926 10.050 0.00 1.00 -ATOM 917 CEn TOP 1 1 25.174 9.926 13.400 0.00 1.00 -ATOM 918 CEo TOP 1 1 25.174 9.926 16.750 0.00 1.00 -ATOM 919 CEp TOP 1 1 23.946 12.053 10.050 0.00 1.00 -ATOM 920 CEq TOP 1 1 23.946 12.053 13.400 0.00 1.00 -ATOM 921 CEr TOP 1 1 23.946 12.053 16.750 0.00 1.00 -ATOM 922 CEs TOP 1 1 22.718 14.180 10.050 0.00 1.00 -ATOM 923 CEt TOP 1 1 22.718 14.180 13.400 0.00 1.00 -ATOM 924 CEu TOP 1 1 22.718 14.180 16.750 0.00 1.00 -ATOM 925 CEv TOP 1 1 11.666 16.306 10.050 0.00 1.00 -ATOM 926 CEw TOP 1 1 11.666 16.306 13.400 0.00 1.00 -ATOM 927 CEx TOP 1 1 11.666 16.306 16.750 0.00 1.00 -ATOM 928 CEy TOP 1 1 10.438 18.433 10.050 0.00 1.00 -ATOM 929 CEz TOP 1 1 10.438 18.433 13.400 0.00 1.00 -ATOM 930 CF0 TOP 1 1 10.438 18.433 16.750 0.00 1.00 -ATOM 931 CF1 TOP 1 1 9.210 20.560 10.050 0.00 1.00 -ATOM 932 CF2 TOP 1 1 9.210 20.560 13.400 0.00 1.00 -ATOM 933 CF3 TOP 1 1 9.210 20.560 16.750 0.00 1.00 -ATOM 934 CF4 TOP 1 1 7.982 22.687 10.050 0.00 1.00 -ATOM 935 CF5 TOP 1 1 7.982 22.687 13.400 0.00 1.00 -ATOM 936 CF6 TOP 1 1 7.982 22.687 16.750 0.00 1.00 -ATOM 937 CF7 TOP 1 1 6.754 24.814 10.050 0.00 1.00 -ATOM 938 CF8 TOP 1 1 6.754 24.814 13.400 0.00 1.00 -ATOM 939 CF9 TOP 1 1 6.754 24.814 16.750 0.00 1.00 -ATOM 940 CFA TOP 1 1 5.526 26.941 10.050 0.00 1.00 -ATOM 941 CFB TOP 1 1 5.526 26.941 13.400 0.00 1.00 -ATOM 942 CFC TOP 1 1 5.526 26.941 16.750 0.00 1.00 -ATOM 943 CFD TOP 1 1 4.298 29.068 10.050 0.00 1.00 -ATOM 944 CFE TOP 1 1 4.298 29.068 13.400 0.00 1.00 -ATOM 945 CFF TOP 1 1 4.298 29.068 16.750 0.00 1.00 -ATOM 946 CFG TOP 1 1 3.070 1.418 10.050 0.00 1.00 -ATOM 947 CFH TOP 1 1 3.070 1.418 13.400 0.00 1.00 -ATOM 948 CFI TOP 1 1 3.070 1.418 16.750 0.00 1.00 -ATOM 949 CFJ TOP 1 1 1.842 3.545 10.050 0.00 1.00 -ATOM 950 CFK TOP 1 1 1.842 3.545 13.400 0.00 1.00 -ATOM 951 CFL TOP 1 1 1.842 3.545 16.750 0.00 1.00 -ATOM 952 CFM TOP 1 1 0.614 5.672 10.050 0.00 1.00 -ATOM 953 CFN TOP 1 1 0.614 5.672 13.400 0.00 1.00 -ATOM 954 CFO TOP 1 1 0.614 5.672 16.750 0.00 1.00 -ATOM 955 CFP TOP 1 1 28.858 7.799 10.050 0.00 1.00 -ATOM 956 CFQ TOP 1 1 28.858 7.799 13.400 0.00 1.00 -ATOM 957 CFR TOP 1 1 28.858 7.799 16.750 0.00 1.00 -ATOM 958 CFS TOP 1 1 27.630 9.926 10.050 0.00 1.00 -ATOM 959 CFT TOP 1 1 27.630 9.926 13.400 0.00 1.00 -ATOM 960 CFU TOP 1 1 27.630 9.926 16.750 0.00 1.00 -ATOM 961 CFV TOP 1 1 26.402 12.053 10.050 0.00 1.00 -ATOM 962 CFW TOP 1 1 26.402 12.053 13.400 0.00 1.00 -ATOM 963 CFX TOP 1 1 26.402 12.053 16.750 0.00 1.00 -ATOM 964 CFY TOP 1 1 25.174 14.180 10.050 0.00 1.00 -ATOM 965 CFZ TOP 1 1 25.174 14.180 13.400 0.00 1.00 -ATOM 966 CFa TOP 1 1 25.174 14.180 16.750 0.00 1.00 -ATOM 967 CFb TOP 1 1 14.122 16.306 10.050 0.00 1.00 -ATOM 968 CFc TOP 1 1 14.122 16.306 13.400 0.00 1.00 -ATOM 969 CFd TOP 1 1 14.122 16.306 16.750 0.00 1.00 -ATOM 970 CFe TOP 1 1 12.894 18.433 10.050 0.00 1.00 -ATOM 971 CFf TOP 1 1 12.894 18.433 13.400 0.00 1.00 -ATOM 972 CFg TOP 1 1 12.894 18.433 16.750 0.00 1.00 -ATOM 973 CFh TOP 1 1 11.666 20.560 10.050 0.00 1.00 -ATOM 974 CFi TOP 1 1 11.666 20.560 13.400 0.00 1.00 -ATOM 975 CFj TOP 1 1 11.666 20.560 16.750 0.00 1.00 -ATOM 976 CFk TOP 1 1 10.438 22.687 10.050 0.00 1.00 -ATOM 977 CFl TOP 1 1 10.438 22.687 13.400 0.00 1.00 -ATOM 978 CFm TOP 1 1 10.438 22.687 16.750 0.00 1.00 -ATOM 979 CFn TOP 1 1 9.210 24.814 10.050 0.00 1.00 -ATOM 980 CFo TOP 1 1 9.210 24.814 13.400 0.00 1.00 -ATOM 981 CFp TOP 1 1 9.210 24.814 16.750 0.00 1.00 -ATOM 982 CFq TOP 1 1 7.982 26.941 10.050 0.00 1.00 -ATOM 983 CFr TOP 1 1 7.982 26.941 13.400 0.00 1.00 -ATOM 984 CFs TOP 1 1 7.982 26.941 16.750 0.00 1.00 -ATOM 985 CFt TOP 1 1 6.754 29.068 10.050 0.00 1.00 -ATOM 986 CFu TOP 1 1 6.754 29.068 13.400 0.00 1.00 -ATOM 987 CFv TOP 1 1 6.754 29.068 16.750 0.00 1.00 -ATOM 988 CFw TOP 1 1 5.526 1.418 10.050 0.00 1.00 -ATOM 989 CFx TOP 1 1 5.526 1.418 13.400 0.00 1.00 -ATOM 990 CFy TOP 1 1 5.526 1.418 16.750 0.00 1.00 -ATOM 991 CFz TOP 1 1 4.298 3.545 10.050 0.00 1.00 -ATOM 992 CG0 TOP 1 1 4.298 3.545 13.400 0.00 1.00 -ATOM 993 CG1 TOP 1 1 4.298 3.545 16.750 0.00 1.00 -ATOM 994 CG2 TOP 1 1 3.070 5.672 10.050 0.00 1.00 -ATOM 995 CG3 TOP 1 1 3.070 5.672 13.400 0.00 1.00 -ATOM 996 CG4 TOP 1 1 3.070 5.672 16.750 0.00 1.00 -ATOM 997 CG5 TOP 1 1 1.842 7.799 10.050 0.00 1.00 -ATOM 998 CG6 TOP 1 1 1.842 7.799 13.400 0.00 1.00 -ATOM 999 CG7 TOP 1 1 1.842 7.799 16.750 0.00 1.00 -ATOM 1000 CG8 TOP 1 1 0.614 9.926 10.050 0.00 1.00 -ATOM 1001 CG9 TOP 1 1 0.614 9.926 13.400 0.00 1.00 -ATOM 1002 CGA TOP 1 1 0.614 9.926 16.750 0.00 1.00 -ATOM 1003 CGB TOP 1 1 28.858 12.053 10.050 0.00 1.00 -ATOM 1004 CGC TOP 1 1 28.858 12.053 13.400 0.00 1.00 -ATOM 1005 CGD TOP 1 1 28.858 12.053 16.750 0.00 1.00 -ATOM 1006 CGE TOP 1 1 27.630 14.180 10.050 0.00 1.00 -ATOM 1007 CGF TOP 1 1 27.630 14.180 13.400 0.00 1.00 -ATOM 1008 CGG TOP 1 1 27.630 14.180 16.750 0.00 1.00 -ATOM 1009 C1 BOT 1 2 15.350 15.597 0.000 0.00 1.00 -ATOM 1010 C2 BOT 1 2 15.350 15.597 3.350 0.00 1.00 -ATOM 1011 C3 BOT 1 2 15.350 15.597 6.700 0.00 1.00 -ATOM 1012 C4 BOT 1 2 14.122 17.724 0.000 0.00 1.00 -ATOM 1013 C5 BOT 1 2 14.122 17.724 3.350 0.00 1.00 -ATOM 1014 C6 BOT 1 2 14.122 17.724 6.700 0.00 1.00 -ATOM 1015 C7 BOT 1 2 12.894 19.851 0.000 0.00 1.00 -ATOM 1016 C8 BOT 1 2 12.894 19.851 3.350 0.00 1.00 -ATOM 1017 C9 BOT 1 2 12.894 19.851 6.700 0.00 1.00 -ATOM 1018 CA BOT 1 2 11.666 21.978 0.000 0.00 1.00 -ATOM 1019 CB BOT 1 2 11.666 21.978 3.350 0.00 1.00 -ATOM 1020 CC BOT 1 2 11.666 21.978 6.700 0.00 1.00 -ATOM 1021 CD BOT 1 2 10.438 24.105 0.000 0.00 1.00 -ATOM 1022 CE BOT 1 2 10.438 24.105 3.350 0.00 1.00 -ATOM 1023 CF BOT 1 2 10.438 24.105 6.700 0.00 1.00 -ATOM 1024 CG BOT 1 2 9.210 26.232 0.000 0.00 1.00 -ATOM 1025 CH BOT 1 2 9.210 26.232 3.350 0.00 1.00 -ATOM 1026 CI BOT 1 2 9.210 26.232 6.700 0.00 1.00 -ATOM 1027 CJ BOT 1 2 7.982 28.359 0.000 0.00 1.00 -ATOM 1028 CK BOT 1 2 7.982 28.359 3.350 0.00 1.00 -ATOM 1029 CL BOT 1 2 7.982 28.359 6.700 0.00 1.00 -ATOM 1030 CM BOT 1 2 6.754 0.709 0.000 0.00 1.00 -ATOM 1031 CN BOT 1 2 6.754 0.709 3.350 0.00 1.00 -ATOM 1032 CO BOT 1 2 6.754 0.709 6.700 0.00 1.00 -ATOM 1033 CP BOT 1 2 5.526 2.836 0.000 0.00 1.00 -ATOM 1034 CQ BOT 1 2 5.526 2.836 3.350 0.00 1.00 -ATOM 1035 CR BOT 1 2 5.526 2.836 6.700 0.00 1.00 -ATOM 1036 CS BOT 1 2 4.298 4.963 0.000 0.00 1.00 -ATOM 1037 CT BOT 1 2 4.298 4.963 3.350 0.00 1.00 -ATOM 1038 CU BOT 1 2 4.298 4.963 6.700 0.00 1.00 -ATOM 1039 CV BOT 1 2 3.070 7.090 0.000 0.00 1.00 -ATOM 1040 CW BOT 1 2 3.070 7.090 3.350 0.00 1.00 -ATOM 1041 CX BOT 1 2 3.070 7.090 6.700 0.00 1.00 -ATOM 1042 CY BOT 1 2 1.842 9.217 0.000 0.00 1.00 -ATOM 1043 CZ BOT 1 2 1.842 9.217 3.350 0.00 1.00 -ATOM 1044 Ca BOT 1 2 1.842 9.217 6.700 0.00 1.00 -ATOM 1045 Cb BOT 1 2 0.614 11.344 0.000 0.00 1.00 -ATOM 1046 Cc BOT 1 2 0.614 11.344 3.350 0.00 1.00 -ATOM 1047 Cd BOT 1 2 0.614 11.344 6.700 0.00 1.00 -ATOM 1048 Ce BOT 1 2 28.858 13.471 0.000 0.00 1.00 -ATOM 1049 Cf BOT 1 2 28.858 13.471 3.350 0.00 1.00 -ATOM 1050 Cg BOT 1 2 28.858 13.471 6.700 0.00 1.00 -ATOM 1051 Ch BOT 1 2 17.806 15.597 0.000 0.00 1.00 -ATOM 1052 Ci BOT 1 2 17.806 15.597 3.350 0.00 1.00 -ATOM 1053 Cj BOT 1 2 17.806 15.597 6.700 0.00 1.00 -ATOM 1054 Ck BOT 1 2 16.578 17.724 0.000 0.00 1.00 -ATOM 1055 Cl BOT 1 2 16.578 17.724 3.350 0.00 1.00 -ATOM 1056 Cm BOT 1 2 16.578 17.724 6.700 0.00 1.00 -ATOM 1057 Cn BOT 1 2 15.350 19.851 0.000 0.00 1.00 -ATOM 1058 Co BOT 1 2 15.350 19.851 3.350 0.00 1.00 -ATOM 1059 Cp BOT 1 2 15.350 19.851 6.700 0.00 1.00 -ATOM 1060 Cq BOT 1 2 14.122 21.978 0.000 0.00 1.00 -ATOM 1061 Cr BOT 1 2 14.122 21.978 3.350 0.00 1.00 -ATOM 1062 Cs BOT 1 2 14.122 21.978 6.700 0.00 1.00 -ATOM 1063 Ct BOT 1 2 12.894 24.105 0.000 0.00 1.00 -ATOM 1064 Cu BOT 1 2 12.894 24.105 3.350 0.00 1.00 -ATOM 1065 Cv BOT 1 2 12.894 24.105 6.700 0.00 1.00 -ATOM 1066 Cw BOT 1 2 11.666 26.232 0.000 0.00 1.00 -ATOM 1067 Cx BOT 1 2 11.666 26.232 3.350 0.00 1.00 -ATOM 1068 Cy BOT 1 2 11.666 26.232 6.700 0.00 1.00 -ATOM 1069 Cz BOT 1 2 10.438 28.359 0.000 0.00 1.00 -ATOM 1070 C10 BOT 1 2 10.438 28.359 3.350 0.00 1.00 -ATOM 1071 C11 BOT 1 2 10.438 28.359 6.700 0.00 1.00 -ATOM 1072 C12 BOT 1 2 9.210 0.709 0.000 0.00 1.00 -ATOM 1073 C13 BOT 1 2 9.210 0.709 3.350 0.00 1.00 -ATOM 1074 C14 BOT 1 2 9.210 0.709 6.700 0.00 1.00 -ATOM 1075 C15 BOT 1 2 7.982 2.836 0.000 0.00 1.00 -ATOM 1076 C16 BOT 1 2 7.982 2.836 3.350 0.00 1.00 -ATOM 1077 C17 BOT 1 2 7.982 2.836 6.700 0.00 1.00 -ATOM 1078 C18 BOT 1 2 6.754 4.963 0.000 0.00 1.00 -ATOM 1079 C19 BOT 1 2 6.754 4.963 3.350 0.00 1.00 -ATOM 1080 C1A BOT 1 2 6.754 4.963 6.700 0.00 1.00 -ATOM 1081 C1B BOT 1 2 5.526 7.090 0.000 0.00 1.00 -ATOM 1082 C1C BOT 1 2 5.526 7.090 3.350 0.00 1.00 -ATOM 1083 C1D BOT 1 2 5.526 7.090 6.700 0.00 1.00 -ATOM 1084 C1E BOT 1 2 4.298 9.217 0.000 0.00 1.00 -ATOM 1085 C1F BOT 1 2 4.298 9.217 3.350 0.00 1.00 -ATOM 1086 C1G BOT 1 2 4.298 9.217 6.700 0.00 1.00 -ATOM 1087 C1H BOT 1 2 3.070 11.344 0.000 0.00 1.00 -ATOM 1088 C1I BOT 1 2 3.070 11.344 3.350 0.00 1.00 -ATOM 1089 C1J BOT 1 2 3.070 11.344 6.700 0.00 1.00 -ATOM 1090 C1K BOT 1 2 1.842 13.471 0.000 0.00 1.00 -ATOM 1091 C1L BOT 1 2 1.842 13.471 3.350 0.00 1.00 -ATOM 1092 C1M BOT 1 2 1.842 13.471 6.700 0.00 1.00 -ATOM 1093 C1N BOT 1 2 20.262 15.597 0.000 0.00 1.00 -ATOM 1094 C1O BOT 1 2 20.262 15.597 3.350 0.00 1.00 -ATOM 1095 C1P BOT 1 2 20.262 15.597 6.700 0.00 1.00 -ATOM 1096 C1Q BOT 1 2 19.034 17.724 0.000 0.00 1.00 -ATOM 1097 C1R BOT 1 2 19.034 17.724 3.350 0.00 1.00 -ATOM 1098 C1S BOT 1 2 19.034 17.724 6.700 0.00 1.00 -ATOM 1099 C1T BOT 1 2 17.806 19.851 0.000 0.00 1.00 -ATOM 1100 C1U BOT 1 2 17.806 19.851 3.350 0.00 1.00 -ATOM 1101 C1V BOT 1 2 17.806 19.851 6.700 0.00 1.00 -ATOM 1102 C1W BOT 1 2 16.578 21.978 0.000 0.00 1.00 -ATOM 1103 C1X BOT 1 2 16.578 21.978 3.350 0.00 1.00 -ATOM 1104 C1Y BOT 1 2 16.578 21.978 6.700 0.00 1.00 -ATOM 1105 C1Z BOT 1 2 15.350 24.105 0.000 0.00 1.00 -ATOM 1106 C1a BOT 1 2 15.350 24.105 3.350 0.00 1.00 -ATOM 1107 C1b BOT 1 2 15.350 24.105 6.700 0.00 1.00 -ATOM 1108 C1c BOT 1 2 14.122 26.232 0.000 0.00 1.00 -ATOM 1109 C1d BOT 1 2 14.122 26.232 3.350 0.00 1.00 -ATOM 1110 C1e BOT 1 2 14.122 26.232 6.700 0.00 1.00 -ATOM 1111 C1f BOT 1 2 12.894 28.359 0.000 0.00 1.00 -ATOM 1112 C1g BOT 1 2 12.894 28.359 3.350 0.00 1.00 -ATOM 1113 C1h BOT 1 2 12.894 28.359 6.700 0.00 1.00 -ATOM 1114 C1i BOT 1 2 11.666 0.709 0.000 0.00 1.00 -ATOM 1115 C1j BOT 1 2 11.666 0.709 3.350 0.00 1.00 -ATOM 1116 C1k BOT 1 2 11.666 0.709 6.700 0.00 1.00 -ATOM 1117 C1l BOT 1 2 10.438 2.836 0.000 0.00 1.00 -ATOM 1118 C1m BOT 1 2 10.438 2.836 3.350 0.00 1.00 -ATOM 1119 C1n BOT 1 2 10.438 2.836 6.700 0.00 1.00 -ATOM 1120 C1o BOT 1 2 9.210 4.963 0.000 0.00 1.00 -ATOM 1121 C1p BOT 1 2 9.210 4.963 3.350 0.00 1.00 -ATOM 1122 C1q BOT 1 2 9.210 4.963 6.700 0.00 1.00 -ATOM 1123 C1r BOT 1 2 7.982 7.090 0.000 0.00 1.00 -ATOM 1124 C1s BOT 1 2 7.982 7.090 3.350 0.00 1.00 -ATOM 1125 C1t BOT 1 2 7.982 7.090 6.700 0.00 1.00 -ATOM 1126 C1u BOT 1 2 6.754 9.217 0.000 0.00 1.00 -ATOM 1127 C1v BOT 1 2 6.754 9.217 3.350 0.00 1.00 -ATOM 1128 C1w BOT 1 2 6.754 9.217 6.700 0.00 1.00 -ATOM 1129 C1x BOT 1 2 5.526 11.344 0.000 0.00 1.00 -ATOM 1130 C1y BOT 1 2 5.526 11.344 3.350 0.00 1.00 -ATOM 1131 C1z BOT 1 2 5.526 11.344 6.700 0.00 1.00 -ATOM 1132 C20 BOT 1 2 4.298 13.471 0.000 0.00 1.00 -ATOM 1133 C21 BOT 1 2 4.298 13.471 3.350 0.00 1.00 -ATOM 1134 C22 BOT 1 2 4.298 13.471 6.700 0.00 1.00 -ATOM 1135 C23 BOT 1 2 22.718 15.597 0.000 0.00 1.00 -ATOM 1136 C24 BOT 1 2 22.718 15.597 3.350 0.00 1.00 -ATOM 1137 C25 BOT 1 2 22.718 15.597 6.700 0.00 1.00 -ATOM 1138 C26 BOT 1 2 21.490 17.724 0.000 0.00 1.00 -ATOM 1139 C27 BOT 1 2 21.490 17.724 3.350 0.00 1.00 -ATOM 1140 C28 BOT 1 2 21.490 17.724 6.700 0.00 1.00 -ATOM 1141 C29 BOT 1 2 20.262 19.851 0.000 0.00 1.00 -ATOM 1142 C2A BOT 1 2 20.262 19.851 3.350 0.00 1.00 -ATOM 1143 C2B BOT 1 2 20.262 19.851 6.700 0.00 1.00 -ATOM 1144 C2C BOT 1 2 19.034 21.978 0.000 0.00 1.00 -ATOM 1145 C2D BOT 1 2 19.034 21.978 3.350 0.00 1.00 -ATOM 1146 C2E BOT 1 2 19.034 21.978 6.700 0.00 1.00 -ATOM 1147 C2F BOT 1 2 17.806 24.105 0.000 0.00 1.00 -ATOM 1148 C2G BOT 1 2 17.806 24.105 3.350 0.00 1.00 -ATOM 1149 C2H BOT 1 2 17.806 24.105 6.700 0.00 1.00 -ATOM 1150 C2I BOT 1 2 16.578 26.232 0.000 0.00 1.00 -ATOM 1151 C2J BOT 1 2 16.578 26.232 3.350 0.00 1.00 -ATOM 1152 C2K BOT 1 2 16.578 26.232 6.700 0.00 1.00 -ATOM 1153 C2L BOT 1 2 15.350 28.359 0.000 0.00 1.00 -ATOM 1154 C2M BOT 1 2 15.350 28.359 3.350 0.00 1.00 -ATOM 1155 C2N BOT 1 2 15.350 28.359 6.700 0.00 1.00 -ATOM 1156 C2O BOT 1 2 14.122 0.709 0.000 0.00 1.00 -ATOM 1157 C2P BOT 1 2 14.122 0.709 3.350 0.00 1.00 -ATOM 1158 C2Q BOT 1 2 14.122 0.709 6.700 0.00 1.00 -ATOM 1159 C2R BOT 1 2 12.894 2.836 0.000 0.00 1.00 -ATOM 1160 C2S BOT 1 2 12.894 2.836 3.350 0.00 1.00 -ATOM 1161 C2T BOT 1 2 12.894 2.836 6.700 0.00 1.00 -ATOM 1162 C2U BOT 1 2 11.666 4.963 0.000 0.00 1.00 -ATOM 1163 C2V BOT 1 2 11.666 4.963 3.350 0.00 1.00 -ATOM 1164 C2W BOT 1 2 11.666 4.963 6.700 0.00 1.00 -ATOM 1165 C2X BOT 1 2 10.438 7.090 0.000 0.00 1.00 -ATOM 1166 C2Y BOT 1 2 10.438 7.090 3.350 0.00 1.00 -ATOM 1167 C2Z BOT 1 2 10.438 7.090 6.700 0.00 1.00 -ATOM 1168 C2a BOT 1 2 9.210 9.217 0.000 0.00 1.00 -ATOM 1169 C2b BOT 1 2 9.210 9.217 3.350 0.00 1.00 -ATOM 1170 C2c BOT 1 2 9.210 9.217 6.700 0.00 1.00 -ATOM 1171 C2d BOT 1 2 7.982 11.344 0.000 0.00 1.00 -ATOM 1172 C2e BOT 1 2 7.982 11.344 3.350 0.00 1.00 -ATOM 1173 C2f BOT 1 2 7.982 11.344 6.700 0.00 1.00 -ATOM 1174 C2g BOT 1 2 6.754 13.471 0.000 0.00 1.00 -ATOM 1175 C2h BOT 1 2 6.754 13.471 3.350 0.00 1.00 -ATOM 1176 C2i BOT 1 2 6.754 13.471 6.700 0.00 1.00 -ATOM 1177 C2j BOT 1 2 25.174 15.597 0.000 0.00 1.00 -ATOM 1178 C2k BOT 1 2 25.174 15.597 3.350 0.00 1.00 -ATOM 1179 C2l BOT 1 2 25.174 15.597 6.700 0.00 1.00 -ATOM 1180 C2m BOT 1 2 23.946 17.724 0.000 0.00 1.00 -ATOM 1181 C2n BOT 1 2 23.946 17.724 3.350 0.00 1.00 -ATOM 1182 C2o BOT 1 2 23.946 17.724 6.700 0.00 1.00 -ATOM 1183 C2p BOT 1 2 22.718 19.851 0.000 0.00 1.00 -ATOM 1184 C2q BOT 1 2 22.718 19.851 3.350 0.00 1.00 -ATOM 1185 C2r BOT 1 2 22.718 19.851 6.700 0.00 1.00 -ATOM 1186 C2s BOT 1 2 21.490 21.978 0.000 0.00 1.00 -ATOM 1187 C2t BOT 1 2 21.490 21.978 3.350 0.00 1.00 -ATOM 1188 C2u BOT 1 2 21.490 21.978 6.700 0.00 1.00 -ATOM 1189 C2v BOT 1 2 20.262 24.105 0.000 0.00 1.00 -ATOM 1190 C2w BOT 1 2 20.262 24.105 3.350 0.00 1.00 -ATOM 1191 C2x BOT 1 2 20.262 24.105 6.700 0.00 1.00 -ATOM 1192 C2y BOT 1 2 19.034 26.232 0.000 0.00 1.00 -ATOM 1193 C2z BOT 1 2 19.034 26.232 3.350 0.00 1.00 -ATOM 1194 C30 BOT 1 2 19.034 26.232 6.700 0.00 1.00 -ATOM 1195 C31 BOT 1 2 17.806 28.359 0.000 0.00 1.00 -ATOM 1196 C32 BOT 1 2 17.806 28.359 3.350 0.00 1.00 -ATOM 1197 C33 BOT 1 2 17.806 28.359 6.700 0.00 1.00 -ATOM 1198 C34 BOT 1 2 16.578 0.709 0.000 0.00 1.00 -ATOM 1199 C35 BOT 1 2 16.578 0.709 3.350 0.00 1.00 -ATOM 1200 C36 BOT 1 2 16.578 0.709 6.700 0.00 1.00 -ATOM 1201 C37 BOT 1 2 15.350 2.836 0.000 0.00 1.00 -ATOM 1202 C38 BOT 1 2 15.350 2.836 3.350 0.00 1.00 -ATOM 1203 C39 BOT 1 2 15.350 2.836 6.700 0.00 1.00 -ATOM 1204 C3A BOT 1 2 14.122 4.963 0.000 0.00 1.00 -ATOM 1205 C3B BOT 1 2 14.122 4.963 3.350 0.00 1.00 -ATOM 1206 C3C BOT 1 2 14.122 4.963 6.700 0.00 1.00 -ATOM 1207 C3D BOT 1 2 12.894 7.090 0.000 0.00 1.00 -ATOM 1208 C3E BOT 1 2 12.894 7.090 3.350 0.00 1.00 -ATOM 1209 C3F BOT 1 2 12.894 7.090 6.700 0.00 1.00 -ATOM 1210 C3G BOT 1 2 11.666 9.217 0.000 0.00 1.00 -ATOM 1211 C3H BOT 1 2 11.666 9.217 3.350 0.00 1.00 -ATOM 1212 C3I BOT 1 2 11.666 9.217 6.700 0.00 1.00 -ATOM 1213 C3J BOT 1 2 10.438 11.344 0.000 0.00 1.00 -ATOM 1214 C3K BOT 1 2 10.438 11.344 3.350 0.00 1.00 -ATOM 1215 C3L BOT 1 2 10.438 11.344 6.700 0.00 1.00 -ATOM 1216 C3M BOT 1 2 9.210 13.471 0.000 0.00 1.00 -ATOM 1217 C3N BOT 1 2 9.210 13.471 3.350 0.00 1.00 -ATOM 1218 C3O BOT 1 2 9.210 13.471 6.700 0.00 1.00 -ATOM 1219 C3P BOT 1 2 27.630 15.597 0.000 0.00 1.00 -ATOM 1220 C3Q BOT 1 2 27.630 15.597 3.350 0.00 1.00 -ATOM 1221 C3R BOT 1 2 27.630 15.597 6.700 0.00 1.00 -ATOM 1222 C3S BOT 1 2 26.402 17.724 0.000 0.00 1.00 -ATOM 1223 C3T BOT 1 2 26.402 17.724 3.350 0.00 1.00 -ATOM 1224 C3U BOT 1 2 26.402 17.724 6.700 0.00 1.00 -ATOM 1225 C3V BOT 1 2 25.174 19.851 0.000 0.00 1.00 -ATOM 1226 C3W BOT 1 2 25.174 19.851 3.350 0.00 1.00 -ATOM 1227 C3X BOT 1 2 25.174 19.851 6.700 0.00 1.00 -ATOM 1228 C3Y BOT 1 2 23.946 21.978 0.000 0.00 1.00 -ATOM 1229 C3Z BOT 1 2 23.946 21.978 3.350 0.00 1.00 -ATOM 1230 C3a BOT 1 2 23.946 21.978 6.700 0.00 1.00 -ATOM 1231 C3b BOT 1 2 22.718 24.105 0.000 0.00 1.00 -ATOM 1232 C3c BOT 1 2 22.718 24.105 3.350 0.00 1.00 -ATOM 1233 C3d BOT 1 2 22.718 24.105 6.700 0.00 1.00 -ATOM 1234 C3e BOT 1 2 21.490 26.232 0.000 0.00 1.00 -ATOM 1235 C3f BOT 1 2 21.490 26.232 3.350 0.00 1.00 -ATOM 1236 C3g BOT 1 2 21.490 26.232 6.700 0.00 1.00 -ATOM 1237 C3h BOT 1 2 20.262 28.359 0.000 0.00 1.00 -ATOM 1238 C3i BOT 1 2 20.262 28.359 3.350 0.00 1.00 -ATOM 1239 C3j BOT 1 2 20.262 28.359 6.700 0.00 1.00 -ATOM 1240 C3k BOT 1 2 19.034 0.709 0.000 0.00 1.00 -ATOM 1241 C3l BOT 1 2 19.034 0.709 3.350 0.00 1.00 -ATOM 1242 C3m BOT 1 2 19.034 0.709 6.700 0.00 1.00 -ATOM 1243 C3n BOT 1 2 17.806 2.836 0.000 0.00 1.00 -ATOM 1244 C3o BOT 1 2 17.806 2.836 3.350 0.00 1.00 -ATOM 1245 C3p BOT 1 2 17.806 2.836 6.700 0.00 1.00 -ATOM 1246 C3q BOT 1 2 16.578 4.963 0.000 0.00 1.00 -ATOM 1247 C3r BOT 1 2 16.578 4.963 3.350 0.00 1.00 -ATOM 1248 C3s BOT 1 2 16.578 4.963 6.700 0.00 1.00 -ATOM 1249 C3t BOT 1 2 15.350 7.090 0.000 0.00 1.00 -ATOM 1250 C3u BOT 1 2 15.350 7.090 3.350 0.00 1.00 -ATOM 1251 C3v BOT 1 2 15.350 7.090 6.700 0.00 1.00 -ATOM 1252 C3w BOT 1 2 14.122 9.217 0.000 0.00 1.00 -ATOM 1253 C3x BOT 1 2 14.122 9.217 3.350 0.00 1.00 -ATOM 1254 C3y BOT 1 2 14.122 9.217 6.700 0.00 1.00 -ATOM 1255 C3z BOT 1 2 12.894 11.344 0.000 0.00 1.00 -ATOM 1256 C40 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C4J BOT 1 2 25.174 24.105 6.700 0.00 1.00 -ATOM 1276 C4K BOT 1 2 23.946 26.232 0.000 0.00 1.00 -ATOM 1277 C4L BOT 1 2 23.946 26.232 3.350 0.00 1.00 -ATOM 1278 C4M BOT 1 2 23.946 26.232 6.700 0.00 1.00 -ATOM 1279 C4N BOT 1 2 22.718 28.359 0.000 0.00 1.00 -ATOM 1280 C4O BOT 1 2 22.718 28.359 3.350 0.00 1.00 -ATOM 1281 C4P BOT 1 2 22.718 28.359 6.700 0.00 1.00 -ATOM 1282 C4Q BOT 1 2 21.490 0.709 0.000 0.00 1.00 -ATOM 1283 C4R BOT 1 2 21.490 0.709 3.350 0.00 1.00 -ATOM 1284 C4S BOT 1 2 21.490 0.709 6.700 0.00 1.00 -ATOM 1285 C4T BOT 1 2 20.262 2.836 0.000 0.00 1.00 -ATOM 1286 C4U BOT 1 2 20.262 2.836 3.350 0.00 1.00 -ATOM 1287 C4V BOT 1 2 20.262 2.836 6.700 0.00 1.00 -ATOM 1288 C4W BOT 1 2 19.034 4.963 0.000 0.00 1.00 -ATOM 1289 C4X BOT 1 2 19.034 4.963 3.350 0.00 1.00 -ATOM 1290 C4Y BOT 1 2 19.034 4.963 6.700 0.00 1.00 -ATOM 1291 C4Z BOT 1 2 17.806 7.090 0.000 0.00 1.00 -ATOM 1292 C4a BOT 1 2 17.806 7.090 3.350 0.00 1.00 -ATOM 1293 C4b BOT 1 2 17.806 7.090 6.700 0.00 1.00 -ATOM 1294 C4c 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21.490 4.963 6.700 0.00 1.00 -ATOM 1333 C5F BOT 1 2 20.262 7.090 0.000 0.00 1.00 -ATOM 1334 C5G BOT 1 2 20.262 7.090 3.350 0.00 1.00 -ATOM 1335 C5H BOT 1 2 20.262 7.090 6.700 0.00 1.00 -ATOM 1336 C5I BOT 1 2 19.034 9.217 0.000 0.00 1.00 -ATOM 1337 C5J BOT 1 2 19.034 9.217 3.350 0.00 1.00 -ATOM 1338 C5K BOT 1 2 19.034 9.217 6.700 0.00 1.00 -ATOM 1339 C5L BOT 1 2 17.806 11.344 0.000 0.00 1.00 -ATOM 1340 C5M BOT 1 2 17.806 11.344 3.350 0.00 1.00 -ATOM 1341 C5N BOT 1 2 17.806 11.344 6.700 0.00 1.00 -ATOM 1342 C5O BOT 1 2 16.578 13.471 0.000 0.00 1.00 -ATOM 1343 C5P BOT 1 2 16.578 13.471 3.350 0.00 1.00 -ATOM 1344 C5Q BOT 1 2 16.578 13.471 6.700 0.00 1.00 -ATOM 1345 C5R BOT 1 2 5.526 15.597 0.000 0.00 1.00 -ATOM 1346 C5S BOT 1 2 5.526 15.597 3.350 0.00 1.00 -ATOM 1347 C5T BOT 1 2 5.526 15.597 6.700 0.00 1.00 -ATOM 1348 C5U BOT 1 2 4.298 17.724 0.000 0.00 1.00 -ATOM 1349 C5V BOT 1 2 4.298 17.724 3.350 0.00 1.00 -ATOM 1350 C5W BOT 1 2 4.298 17.724 6.700 0.00 1.00 -ATOM 1351 C5X BOT 1 2 3.070 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0.00 1.00 -ATOM 1734 CBi BOT 1 2 25.174 22.687 6.700 0.00 1.00 -ATOM 1735 CBj BOT 1 2 23.946 24.814 0.000 0.00 1.00 -ATOM 1736 CBk BOT 1 2 23.946 24.814 3.350 0.00 1.00 -ATOM 1737 CBl BOT 1 2 23.946 24.814 6.700 0.00 1.00 -ATOM 1738 CBm BOT 1 2 22.718 26.941 0.000 0.00 1.00 -ATOM 1739 CBn BOT 1 2 22.718 26.941 3.350 0.00 1.00 -ATOM 1740 CBo BOT 1 2 22.718 26.941 6.700 0.00 1.00 -ATOM 1741 CBp BOT 1 2 21.490 29.068 0.000 0.00 1.00 -ATOM 1742 CBq BOT 1 2 21.490 29.068 3.350 0.00 1.00 -ATOM 1743 CBr BOT 1 2 21.490 29.068 6.700 0.00 1.00 -ATOM 1744 CBs BOT 1 2 20.262 1.418 0.000 0.00 1.00 -ATOM 1745 CBt BOT 1 2 20.262 1.418 3.350 0.00 1.00 -ATOM 1746 CBu BOT 1 2 20.262 1.418 6.700 0.00 1.00 -ATOM 1747 CBv BOT 1 2 19.034 3.545 0.000 0.00 1.00 -ATOM 1748 CBw BOT 1 2 19.034 3.545 3.350 0.00 1.00 -ATOM 1749 CBx BOT 1 2 19.034 3.545 6.700 0.00 1.00 -ATOM 1750 CBy BOT 1 2 17.806 5.672 0.000 0.00 1.00 -ATOM 1751 CBz BOT 1 2 17.806 5.672 3.350 0.00 1.00 -ATOM 1752 CC0 BOT 1 2 17.806 5.672 6.700 0.00 1.00 -ATOM 1753 CC1 BOT 1 2 16.578 7.799 0.000 0.00 1.00 -ATOM 1754 CC2 BOT 1 2 16.578 7.799 3.350 0.00 1.00 -ATOM 1755 CC3 BOT 1 2 16.578 7.799 6.700 0.00 1.00 -ATOM 1756 CC4 BOT 1 2 15.350 9.926 0.000 0.00 1.00 -ATOM 1757 CC5 BOT 1 2 15.350 9.926 3.350 0.00 1.00 -ATOM 1758 CC6 BOT 1 2 15.350 9.926 6.700 0.00 1.00 -ATOM 1759 CC7 BOT 1 2 14.122 12.053 0.000 0.00 1.00 -ATOM 1760 CC8 BOT 1 2 14.122 12.053 3.350 0.00 1.00 -ATOM 1761 CC9 BOT 1 2 14.122 12.053 6.700 0.00 1.00 -ATOM 1762 CCA BOT 1 2 12.894 14.180 0.000 0.00 1.00 -ATOM 1763 CCB BOT 1 2 12.894 14.180 3.350 0.00 1.00 -ATOM 1764 CCC BOT 1 2 12.894 14.180 6.700 0.00 1.00 -ATOM 1765 CCD BOT 1 2 1.842 16.306 0.000 0.00 1.00 -ATOM 1766 CCE BOT 1 2 1.842 16.306 3.350 0.00 1.00 -ATOM 1767 CCF BOT 1 2 1.842 16.306 6.700 0.00 1.00 -ATOM 1768 CCG BOT 1 2 0.614 18.433 0.000 0.00 1.00 -ATOM 1769 CCH BOT 1 2 0.614 18.433 3.350 0.00 1.00 -ATOM 1770 CCI BOT 1 2 0.614 18.433 6.700 0.00 1.00 -ATOM 1771 CCJ BOT 1 2 28.858 20.560 0.000 0.00 1.00 -ATOM 1772 CCK BOT 1 2 28.858 20.560 3.350 0.00 1.00 -ATOM 1773 CCL BOT 1 2 28.858 20.560 6.700 0.00 1.00 -ATOM 1774 CCM BOT 1 2 27.630 22.687 0.000 0.00 1.00 -ATOM 1775 CCN BOT 1 2 27.630 22.687 3.350 0.00 1.00 -ATOM 1776 CCO BOT 1 2 27.630 22.687 6.700 0.00 1.00 -ATOM 1777 CCP BOT 1 2 26.402 24.814 0.000 0.00 1.00 -ATOM 1778 CCQ BOT 1 2 26.402 24.814 3.350 0.00 1.00 -ATOM 1779 CCR BOT 1 2 26.402 24.814 6.700 0.00 1.00 -ATOM 1780 CCS BOT 1 2 25.174 26.941 0.000 0.00 1.00 -ATOM 1781 CCT BOT 1 2 25.174 26.941 3.350 0.00 1.00 -ATOM 1782 CCU BOT 1 2 25.174 26.941 6.700 0.00 1.00 -ATOM 1783 CCV BOT 1 2 23.946 29.068 0.000 0.00 1.00 -ATOM 1784 CCW BOT 1 2 23.946 29.068 3.350 0.00 1.00 -ATOM 1785 CCX BOT 1 2 23.946 29.068 6.700 0.00 1.00 -ATOM 1786 CCY BOT 1 2 22.718 1.418 0.000 0.00 1.00 -ATOM 1787 CCZ BOT 1 2 22.718 1.418 3.350 0.00 1.00 -ATOM 1788 CCa BOT 1 2 22.718 1.418 6.700 0.00 1.00 -ATOM 1789 CCb BOT 1 2 21.490 3.545 0.000 0.00 1.00 -ATOM 1790 CCc BOT 1 2 21.490 3.545 3.350 0.00 1.00 -ATOM 1791 CCd BOT 1 2 21.490 3.545 6.700 0.00 1.00 -ATOM 1792 CCe BOT 1 2 20.262 5.672 0.000 0.00 1.00 -ATOM 1793 CCf BOT 1 2 20.262 5.672 3.350 0.00 1.00 -ATOM 1794 CCg BOT 1 2 20.262 5.672 6.700 0.00 1.00 -ATOM 1795 CCh BOT 1 2 19.034 7.799 0.000 0.00 1.00 -ATOM 1796 CCi BOT 1 2 19.034 7.799 3.350 0.00 1.00 -ATOM 1797 CCj BOT 1 2 19.034 7.799 6.700 0.00 1.00 -ATOM 1798 CCk BOT 1 2 17.806 9.926 0.000 0.00 1.00 -ATOM 1799 CCl BOT 1 2 17.806 9.926 3.350 0.00 1.00 -ATOM 1800 CCm BOT 1 2 17.806 9.926 6.700 0.00 1.00 -ATOM 1801 CCn BOT 1 2 16.578 12.053 0.000 0.00 1.00 -ATOM 1802 CCo BOT 1 2 16.578 12.053 3.350 0.00 1.00 -ATOM 1803 CCp BOT 1 2 16.578 12.053 6.700 0.00 1.00 -ATOM 1804 CCq BOT 1 2 15.350 14.180 0.000 0.00 1.00 -ATOM 1805 CCr BOT 1 2 15.350 14.180 3.350 0.00 1.00 -ATOM 1806 CCs BOT 1 2 15.350 14.180 6.700 0.00 1.00 -ATOM 1807 CCt BOT 1 2 4.298 16.306 0.000 0.00 1.00 -ATOM 1808 CCu BOT 1 2 4.298 16.306 3.350 0.00 1.00 -ATOM 1809 CCv BOT 1 2 4.298 16.306 6.700 0.00 1.00 -ATOM 1810 CCw BOT 1 2 3.070 18.433 0.000 0.00 1.00 -ATOM 1811 CCx BOT 1 2 3.070 18.433 3.350 0.00 1.00 -ATOM 1812 CCy BOT 1 2 3.070 18.433 6.700 0.00 1.00 -ATOM 1813 CCz BOT 1 2 1.842 20.560 0.000 0.00 1.00 -ATOM 1814 CD0 BOT 1 2 1.842 20.560 3.350 0.00 1.00 -ATOM 1815 CD1 BOT 1 2 1.842 20.560 6.700 0.00 1.00 -ATOM 1816 CD2 BOT 1 2 0.614 22.687 0.000 0.00 1.00 -ATOM 1817 CD3 BOT 1 2 0.614 22.687 3.350 0.00 1.00 -ATOM 1818 CD4 BOT 1 2 0.614 22.687 6.700 0.00 1.00 -ATOM 1819 CD5 BOT 1 2 28.858 24.814 0.000 0.00 1.00 -ATOM 1820 CD6 BOT 1 2 28.858 24.814 3.350 0.00 1.00 -ATOM 1821 CD7 BOT 1 2 28.858 24.814 6.700 0.00 1.00 -ATOM 1822 CD8 BOT 1 2 27.630 26.941 0.000 0.00 1.00 -ATOM 1823 CD9 BOT 1 2 27.630 26.941 3.350 0.00 1.00 -ATOM 1824 CDA BOT 1 2 27.630 26.941 6.700 0.00 1.00 -ATOM 1825 CDB BOT 1 2 26.402 29.068 0.000 0.00 1.00 -ATOM 1826 CDC BOT 1 2 26.402 29.068 3.350 0.00 1.00 -ATOM 1827 CDD BOT 1 2 26.402 29.068 6.700 0.00 1.00 -ATOM 1828 CDE BOT 1 2 25.174 1.418 0.000 0.00 1.00 -ATOM 1829 CDF BOT 1 2 25.174 1.418 3.350 0.00 1.00 -ATOM 1830 CDG BOT 1 2 25.174 1.418 6.700 0.00 1.00 -ATOM 1831 CDH BOT 1 2 23.946 3.545 0.000 0.00 1.00 -ATOM 1832 CDI BOT 1 2 23.946 3.545 3.350 0.00 1.00 -ATOM 1833 CDJ BOT 1 2 23.946 3.545 6.700 0.00 1.00 -ATOM 1834 CDK BOT 1 2 22.718 5.672 0.000 0.00 1.00 -ATOM 1835 CDL BOT 1 2 22.718 5.672 3.350 0.00 1.00 -ATOM 1836 CDM BOT 1 2 22.718 5.672 6.700 0.00 1.00 -ATOM 1837 CDN BOT 1 2 21.490 7.799 0.000 0.00 1.00 -ATOM 1838 CDO BOT 1 2 21.490 7.799 3.350 0.00 1.00 -ATOM 1839 CDP BOT 1 2 21.490 7.799 6.700 0.00 1.00 -ATOM 1840 CDQ BOT 1 2 20.262 9.926 0.000 0.00 1.00 -ATOM 1841 CDR BOT 1 2 20.262 9.926 3.350 0.00 1.00 -ATOM 1842 CDS BOT 1 2 20.262 9.926 6.700 0.00 1.00 -ATOM 1843 CDT BOT 1 2 19.034 12.053 0.000 0.00 1.00 -ATOM 1844 CDU BOT 1 2 19.034 12.053 3.350 0.00 1.00 -ATOM 1845 CDV BOT 1 2 19.034 12.053 6.700 0.00 1.00 -ATOM 1846 CDW BOT 1 2 17.806 14.180 0.000 0.00 1.00 -ATOM 1847 CDX BOT 1 2 17.806 14.180 3.350 0.00 1.00 -ATOM 1848 CDY BOT 1 2 17.806 14.180 6.700 0.00 1.00 -ATOM 1849 CDZ BOT 1 2 6.754 16.306 0.000 0.00 1.00 -ATOM 1850 CDa BOT 1 2 6.754 16.306 3.350 0.00 1.00 -ATOM 1851 CDb BOT 1 2 6.754 16.306 6.700 0.00 1.00 -ATOM 1852 CDc BOT 1 2 5.526 18.433 0.000 0.00 1.00 -ATOM 1853 CDd BOT 1 2 5.526 18.433 3.350 0.00 1.00 -ATOM 1854 CDe BOT 1 2 5.526 18.433 6.700 0.00 1.00 -ATOM 1855 CDf BOT 1 2 4.298 20.560 0.000 0.00 1.00 -ATOM 1856 CDg BOT 1 2 4.298 20.560 3.350 0.00 1.00 -ATOM 1857 CDh BOT 1 2 4.298 20.560 6.700 0.00 1.00 -ATOM 1858 CDi BOT 1 2 3.070 22.687 0.000 0.00 1.00 -ATOM 1859 CDj BOT 1 2 3.070 22.687 3.350 0.00 1.00 -ATOM 1860 CDk BOT 1 2 3.070 22.687 6.700 0.00 1.00 -ATOM 1861 CDl BOT 1 2 1.842 24.814 0.000 0.00 1.00 -ATOM 1862 CDm BOT 1 2 1.842 24.814 3.350 0.00 1.00 -ATOM 1863 CDn BOT 1 2 1.842 24.814 6.700 0.00 1.00 -ATOM 1864 CDo BOT 1 2 0.614 26.941 0.000 0.00 1.00 -ATOM 1865 CDp BOT 1 2 0.614 26.941 3.350 0.00 1.00 -ATOM 1866 CDq BOT 1 2 0.614 26.941 6.700 0.00 1.00 -ATOM 1867 CDr BOT 1 2 28.858 29.068 0.000 0.00 1.00 -ATOM 1868 CDs BOT 1 2 28.858 29.068 3.350 0.00 1.00 -ATOM 1869 CDt BOT 1 2 28.858 29.068 6.700 0.00 1.00 -ATOM 1870 CDu BOT 1 2 27.630 1.418 0.000 0.00 1.00 -ATOM 1871 CDv BOT 1 2 27.630 1.418 3.350 0.00 1.00 -ATOM 1872 CDw BOT 1 2 27.630 1.418 6.700 0.00 1.00 -ATOM 1873 CDx BOT 1 2 26.402 3.545 0.000 0.00 1.00 -ATOM 1874 CDy BOT 1 2 26.402 3.545 3.350 0.00 1.00 -ATOM 1875 CDz BOT 1 2 26.402 3.545 6.700 0.00 1.00 -ATOM 1876 CE0 BOT 1 2 25.174 5.672 0.000 0.00 1.00 -ATOM 1877 CE1 BOT 1 2 25.174 5.672 3.350 0.00 1.00 -ATOM 1878 CE2 BOT 1 2 25.174 5.672 6.700 0.00 1.00 -ATOM 1879 CE3 BOT 1 2 23.946 7.799 0.000 0.00 1.00 -ATOM 1880 CE4 BOT 1 2 23.946 7.799 3.350 0.00 1.00 -ATOM 1881 CE5 BOT 1 2 23.946 7.799 6.700 0.00 1.00 -ATOM 1882 CE6 BOT 1 2 22.718 9.926 0.000 0.00 1.00 -ATOM 1883 CE7 BOT 1 2 22.718 9.926 3.350 0.00 1.00 -ATOM 1884 CE8 BOT 1 2 22.718 9.926 6.700 0.00 1.00 -ATOM 1885 CE9 BOT 1 2 21.490 12.053 0.000 0.00 1.00 -ATOM 1886 CEA BOT 1 2 21.490 12.053 3.350 0.00 1.00 -ATOM 1887 CEB BOT 1 2 21.490 12.053 6.700 0.00 1.00 -ATOM 1888 CEC BOT 1 2 20.262 14.180 0.000 0.00 1.00 -ATOM 1889 CED BOT 1 2 20.262 14.180 3.350 0.00 1.00 -ATOM 1890 CEE BOT 1 2 20.262 14.180 6.700 0.00 1.00 -ATOM 1891 CEF BOT 1 2 9.210 16.306 0.000 0.00 1.00 -ATOM 1892 CEG BOT 1 2 9.210 16.306 3.350 0.00 1.00 -ATOM 1893 CEH BOT 1 2 9.210 16.306 6.700 0.00 1.00 -ATOM 1894 CEI BOT 1 2 7.982 18.433 0.000 0.00 1.00 -ATOM 1895 CEJ BOT 1 2 7.982 18.433 3.350 0.00 1.00 -ATOM 1896 CEK BOT 1 2 7.982 18.433 6.700 0.00 1.00 -ATOM 1897 CEL BOT 1 2 6.754 20.560 0.000 0.00 1.00 -ATOM 1898 CEM BOT 1 2 6.754 20.560 3.350 0.00 1.00 -ATOM 1899 CEN BOT 1 2 6.754 20.560 6.700 0.00 1.00 -ATOM 1900 CEO BOT 1 2 5.526 22.687 0.000 0.00 1.00 -ATOM 1901 CEP BOT 1 2 5.526 22.687 3.350 0.00 1.00 -ATOM 1902 CEQ BOT 1 2 5.526 22.687 6.700 0.00 1.00 -ATOM 1903 CER BOT 1 2 4.298 24.814 0.000 0.00 1.00 -ATOM 1904 CES BOT 1 2 4.298 24.814 3.350 0.00 1.00 -ATOM 1905 CET BOT 1 2 4.298 24.814 6.700 0.00 1.00 -ATOM 1906 CEU BOT 1 2 3.070 26.941 0.000 0.00 1.00 -ATOM 1907 CEV BOT 1 2 3.070 26.941 3.350 0.00 1.00 -ATOM 1908 CEW BOT 1 2 3.070 26.941 6.700 0.00 1.00 -ATOM 1909 CEX BOT 1 2 1.842 29.068 0.000 0.00 1.00 -ATOM 1910 CEY BOT 1 2 1.842 29.068 3.350 0.00 1.00 -ATOM 1911 CEZ BOT 1 2 1.842 29.068 6.700 0.00 1.00 -ATOM 1912 CEa BOT 1 2 0.614 1.418 0.000 0.00 1.00 -ATOM 1913 CEb BOT 1 2 0.614 1.418 3.350 0.00 1.00 -ATOM 1914 CEc BOT 1 2 0.614 1.418 6.700 0.00 1.00 -ATOM 1915 CEd BOT 1 2 28.858 3.545 0.000 0.00 1.00 -ATOM 1916 CEe BOT 1 2 28.858 3.545 3.350 0.00 1.00 -ATOM 1917 CEf BOT 1 2 28.858 3.545 6.700 0.00 1.00 -ATOM 1918 CEg BOT 1 2 27.630 5.672 0.000 0.00 1.00 -ATOM 1919 CEh BOT 1 2 27.630 5.672 3.350 0.00 1.00 -ATOM 1920 CEi BOT 1 2 27.630 5.672 6.700 0.00 1.00 -ATOM 1921 CEj BOT 1 2 26.402 7.799 0.000 0.00 1.00 -ATOM 1922 CEk BOT 1 2 26.402 7.799 3.350 0.00 1.00 -ATOM 1923 CEl BOT 1 2 26.402 7.799 6.700 0.00 1.00 -ATOM 1924 CEm BOT 1 2 25.174 9.926 0.000 0.00 1.00 -ATOM 1925 CEn BOT 1 2 25.174 9.926 3.350 0.00 1.00 -ATOM 1926 CEo BOT 1 2 25.174 9.926 6.700 0.00 1.00 -ATOM 1927 CEp BOT 1 2 23.946 12.053 0.000 0.00 1.00 -ATOM 1928 CEq BOT 1 2 23.946 12.053 3.350 0.00 1.00 -ATOM 1929 CEr BOT 1 2 23.946 12.053 6.700 0.00 1.00 -ATOM 1930 CEs BOT 1 2 22.718 14.180 0.000 0.00 1.00 -ATOM 1931 CEt BOT 1 2 22.718 14.180 3.350 0.00 1.00 -ATOM 1932 CEu BOT 1 2 22.718 14.180 6.700 0.00 1.00 -ATOM 1933 CEv BOT 1 2 11.666 16.306 0.000 0.00 1.00 -ATOM 1934 CEw BOT 1 2 11.666 16.306 3.350 0.00 1.00 -ATOM 1935 CEx BOT 1 2 11.666 16.306 6.700 0.00 1.00 -ATOM 1936 CEy BOT 1 2 10.438 18.433 0.000 0.00 1.00 -ATOM 1937 CEz BOT 1 2 10.438 18.433 3.350 0.00 1.00 -ATOM 1938 CF0 BOT 1 2 10.438 18.433 6.700 0.00 1.00 -ATOM 1939 CF1 BOT 1 2 9.210 20.560 0.000 0.00 1.00 -ATOM 1940 CF2 BOT 1 2 9.210 20.560 3.350 0.00 1.00 -ATOM 1941 CF3 BOT 1 2 9.210 20.560 6.700 0.00 1.00 -ATOM 1942 CF4 BOT 1 2 7.982 22.687 0.000 0.00 1.00 -ATOM 1943 CF5 BOT 1 2 7.982 22.687 3.350 0.00 1.00 -ATOM 1944 CF6 BOT 1 2 7.982 22.687 6.700 0.00 1.00 -ATOM 1945 CF7 BOT 1 2 6.754 24.814 0.000 0.00 1.00 -ATOM 1946 CF8 BOT 1 2 6.754 24.814 3.350 0.00 1.00 -ATOM 1947 CF9 BOT 1 2 6.754 24.814 6.700 0.00 1.00 -ATOM 1948 CFA BOT 1 2 5.526 26.941 0.000 0.00 1.00 -ATOM 1949 CFB BOT 1 2 5.526 26.941 3.350 0.00 1.00 -ATOM 1950 CFC BOT 1 2 5.526 26.941 6.700 0.00 1.00 -ATOM 1951 CFD BOT 1 2 4.298 29.068 0.000 0.00 1.00 -ATOM 1952 CFE BOT 1 2 4.298 29.068 3.350 0.00 1.00 -ATOM 1953 CFF BOT 1 2 4.298 29.068 6.700 0.00 1.00 -ATOM 1954 CFG BOT 1 2 3.070 1.418 0.000 0.00 1.00 -ATOM 1955 CFH BOT 1 2 3.070 1.418 3.350 0.00 1.00 -ATOM 1956 CFI BOT 1 2 3.070 1.418 6.700 0.00 1.00 -ATOM 1957 CFJ BOT 1 2 1.842 3.545 0.000 0.00 1.00 -ATOM 1958 CFK BOT 1 2 1.842 3.545 3.350 0.00 1.00 -ATOM 1959 CFL BOT 1 2 1.842 3.545 6.700 0.00 1.00 -ATOM 1960 CFM BOT 1 2 0.614 5.672 0.000 0.00 1.00 -ATOM 1961 CFN BOT 1 2 0.614 5.672 3.350 0.00 1.00 -ATOM 1962 CFO BOT 1 2 0.614 5.672 6.700 0.00 1.00 -ATOM 1963 CFP BOT 1 2 28.858 7.799 0.000 0.00 1.00 -ATOM 1964 CFQ BOT 1 2 28.858 7.799 3.350 0.00 1.00 -ATOM 1965 CFR BOT 1 2 28.858 7.799 6.700 0.00 1.00 -ATOM 1966 CFS BOT 1 2 27.630 9.926 0.000 0.00 1.00 -ATOM 1967 CFT BOT 1 2 27.630 9.926 3.350 0.00 1.00 -ATOM 1968 CFU BOT 1 2 27.630 9.926 6.700 0.00 1.00 -ATOM 1969 CFV BOT 1 2 26.402 12.053 0.000 0.00 1.00 -ATOM 1970 CFW BOT 1 2 26.402 12.053 3.350 0.00 1.00 -ATOM 1971 CFX BOT 1 2 26.402 12.053 6.700 0.00 1.00 -ATOM 1972 CFY BOT 1 2 25.174 14.180 0.000 0.00 1.00 -ATOM 1973 CFZ BOT 1 2 25.174 14.180 3.350 0.00 1.00 -ATOM 1974 CFa BOT 1 2 25.174 14.180 6.700 0.00 1.00 -ATOM 1975 CFb BOT 1 2 14.122 16.306 0.000 0.00 1.00 -ATOM 1976 CFc BOT 1 2 14.122 16.306 3.350 0.00 1.00 -ATOM 1977 CFd BOT 1 2 14.122 16.306 6.700 0.00 1.00 -ATOM 1978 CFe BOT 1 2 12.894 18.433 0.000 0.00 1.00 -ATOM 1979 CFf BOT 1 2 12.894 18.433 3.350 0.00 1.00 -ATOM 1980 CFg BOT 1 2 12.894 18.433 6.700 0.00 1.00 -ATOM 1981 CFh BOT 1 2 11.666 20.560 0.000 0.00 1.00 -ATOM 1982 CFi BOT 1 2 11.666 20.560 3.350 0.00 1.00 -ATOM 1983 CFj BOT 1 2 11.666 20.560 6.700 0.00 1.00 -ATOM 1984 CFk BOT 1 2 10.438 22.687 0.000 0.00 1.00 -ATOM 1985 CFl BOT 1 2 10.438 22.687 3.350 0.00 1.00 -ATOM 1986 CFm BOT 1 2 10.438 22.687 6.700 0.00 1.00 -ATOM 1987 CFn BOT 1 2 9.210 24.814 0.000 0.00 1.00 -ATOM 1988 CFo BOT 1 2 9.210 24.814 3.350 0.00 1.00 -ATOM 1989 CFp BOT 1 2 9.210 24.814 6.700 0.00 1.00 -ATOM 1990 CFq BOT 1 2 7.982 26.941 0.000 0.00 1.00 -ATOM 1991 CFr BOT 1 2 7.982 26.941 3.350 0.00 1.00 -ATOM 1992 CFs BOT 1 2 7.982 26.941 6.700 0.00 1.00 -ATOM 1993 CFt BOT 1 2 6.754 29.068 0.000 0.00 1.00 -ATOM 1994 CFu BOT 1 2 6.754 29.068 3.350 0.00 1.00 -ATOM 1995 CFv BOT 1 2 6.754 29.068 6.700 0.00 1.00 -ATOM 1996 CFw BOT 1 2 5.526 1.418 0.000 0.00 1.00 -ATOM 1997 CFx BOT 1 2 5.526 1.418 3.350 0.00 1.00 -ATOM 1998 CFy BOT 1 2 5.526 1.418 6.700 0.00 1.00 -ATOM 1999 CFz BOT 1 2 4.298 3.545 0.000 0.00 1.00 -ATOM 2000 CG0 BOT 1 2 4.298 3.545 3.350 0.00 1.00 -ATOM 2001 CG1 BOT 1 2 4.298 3.545 6.700 0.00 1.00 -ATOM 2002 CG2 BOT 1 2 3.070 5.672 0.000 0.00 1.00 -ATOM 2003 CG3 BOT 1 2 3.070 5.672 3.350 0.00 1.00 -ATOM 2004 CG4 BOT 1 2 3.070 5.672 6.700 0.00 1.00 -ATOM 2005 CG5 BOT 1 2 1.842 7.799 0.000 0.00 1.00 -ATOM 2006 CG6 BOT 1 2 1.842 7.799 3.350 0.00 1.00 -ATOM 2007 CG7 BOT 1 2 1.842 7.799 6.700 0.00 1.00 -ATOM 2008 CG8 BOT 1 2 0.614 9.926 0.000 0.00 1.00 -ATOM 2009 CG9 BOT 1 2 0.614 9.926 3.350 0.00 1.00 -ATOM 2010 CGA BOT 1 2 0.614 9.926 6.700 0.00 1.00 -ATOM 2011 CGB BOT 1 2 28.858 12.053 0.000 0.00 1.00 -ATOM 2012 CGC BOT 1 2 28.858 12.053 3.350 0.00 1.00 -ATOM 2013 CGD BOT 1 2 28.858 12.053 6.700 0.00 1.00 -ATOM 2014 CGE BOT 1 2 27.630 14.180 0.000 0.00 1.00 -ATOM 2015 CGF BOT 1 2 27.630 14.180 3.350 0.00 1.00 -ATOM 2016 CGG BOT 1 2 27.630 14.180 6.700 0.00 1.00 -ATOM 2017 O1 H2O 1 3 22.634 9.602 23.733 0.00 0.00 -ATOM 2018 H1 H2O 1 3 21.856 9.936 23.202 0.00 0.00 -ATOM 2019 H2 H2O 1 3 22.735 10.154 24.561 0.00 0.00 -ATOM 2020 O1 H2O 2 4 27.347 27.605 19.936 0.00 0.00 -ATOM 2021 H1 H2O 2 4 27.304 28.594 19.789 0.00 0.00 -ATOM 2022 H2 H2O 2 4 26.999 27.388 20.848 0.00 0.00 -ATOM 2023 O1 H2O 3 5 10.681 17.368 22.312 0.00 0.00 -ATOM 2024 H1 H2O 3 5 9.738 17.432 22.637 0.00 0.00 -ATOM 2025 H2 H2O 3 5 10.850 18.085 21.636 0.00 0.00 -ATOM 2026 O1 H2O 4 6 0.283 26.044 23.852 0.00 0.00 -ATOM 2027 H1 H2O 4 6 0.605 26.257 24.775 0.00 0.00 -ATOM 2028 H2 H2O 4 6 -0.597 25.573 23.906 0.00 0.00 -ATOM 2029 O1 H2O 5 7 17.085 24.441 19.495 0.00 0.00 -ATOM 2030 H1 H2O 5 7 17.706 23.730 19.825 0.00 0.00 -ATOM 2031 H2 H2O 5 7 17.372 24.736 18.583 0.00 0.00 -ATOM 2032 O1 H2O 6 8 13.230 13.538 20.096 0.00 0.00 -ATOM 2033 H1 H2O 6 8 12.240 13.652 20.174 0.00 0.00 -ATOM 2034 H2 H2O 6 8 13.434 12.614 19.774 0.00 0.00 -ATOM 2035 O1 H2O 7 9 25.710 5.551 22.213 0.00 0.00 -ATOM 2036 H1 H2O 7 9 26.584 5.979 22.442 0.00 0.00 -ATOM 2037 H2 H2O 7 9 24.988 5.939 22.786 0.00 0.00 -ATOM 2038 O1 H2O 8 10 11.817 22.935 20.157 0.00 0.00 -ATOM 2039 H1 H2O 8 10 10.870 22.658 20.325 0.00 0.00 -ATOM 2040 H2 H2O 8 10 12.432 22.188 20.410 0.00 0.00 -ATOM 2041 O1 H2O 9 11 27.643 10.520 23.436 0.00 0.00 -ATOM 2042 H1 H2O 9 11 27.792 11.495 23.605 0.00 0.00 -ATOM 2043 H2 H2O 9 11 26.945 10.176 24.064 0.00 0.00 -ATOM 2044 O1 H2O 0 12 3.400 25.742 23.012 0.00 0.00 -ATOM 2045 H1 H2O 0 12 2.578 25.309 23.381 0.00 0.00 -ATOM 2046 H2 H2O 0 12 3.358 25.741 22.013 0.00 0.00 -ATOM 2047 O1 H2O 1 13 13.539 28.955 20.956 0.00 0.00 -ATOM 2048 H1 H2O 1 13 14.231 29.470 20.450 0.00 0.00 -ATOM 2049 H2 H2O 1 13 12.631 29.304 20.728 0.00 0.00 -ATOM 2050 O1 H2O 2 14 9.860 2.564 23.562 0.00 0.00 -ATOM 2051 H1 H2O 2 14 9.664 3.544 23.555 0.00 0.00 -ATOM 2052 H2 H2O 2 14 10.849 2.421 23.551 0.00 0.00 -ATOM 2053 O1 H2O 3 15 29.025 21.306 20.458 0.00 0.00 -ATOM 2054 H1 H2O 3 15 29.870 21.326 19.925 0.00 0.00 -ATOM 2055 H2 H2O 3 15 28.654 20.377 20.460 0.00 0.00 -ATOM 2056 O1 H2O 4 16 27.678 7.179 22.858 0.00 0.00 -ATOM 2057 H1 H2O 4 16 28.386 7.884 22.810 0.00 0.00 -ATOM 2058 H2 H2O 4 16 26.784 7.612 22.969 0.00 0.00 -ATOM 2059 O1 H2O 5 17 18.648 25.425 23.446 0.00 0.00 -ATOM 2060 H1 H2O 5 17 19.616 25.292 23.658 0.00 0.00 -ATOM 2061 H2 H2O 5 17 18.160 25.700 24.275 0.00 0.00 -ATOM 2062 O1 H2O 6 18 0.840 7.754 20.687 0.00 0.00 -ATOM 2063 H1 H2O 6 18 1.647 7.935 21.250 0.00 0.00 -ATOM 2064 H2 H2O 6 18 0.097 8.362 20.965 0.00 0.00 -ATOM 2065 O1 H2O 7 19 13.363 17.612 23.434 0.00 0.00 -ATOM 2066 H1 H2O 7 19 12.471 17.797 23.022 0.00 0.00 -ATOM 2067 H2 H2O 7 19 13.907 18.451 23.444 0.00 0.00 -ATOM 2068 O1 H2O 8 20 27.388 1.895 23.781 0.00 0.00 -ATOM 2069 H1 H2O 8 20 27.890 2.675 23.408 0.00 0.00 -ATOM 2070 H2 H2O 8 20 26.907 2.175 24.612 0.00 0.00 -ATOM 2071 O1 H2O 9 21 19.470 4.328 23.122 0.00 0.00 -ATOM 2072 H1 H2O 9 21 19.523 3.348 23.316 0.00 0.00 -ATOM 2073 H2 H2O 9 21 20.348 4.758 23.330 0.00 0.00 -ATOM 2074 O1 H2O 0 22 23.693 22.952 20.056 0.00 0.00 -ATOM 2075 H1 H2O 0 22 22.792 23.078 19.642 0.00 0.00 -ATOM 2076 H2 H2O 0 22 24.187 23.821 20.048 0.00 0.00 -ATOM 2077 O1 H2O 1 23 28.838 15.705 23.393 0.00 0.00 -ATOM 2078 H1 H2O 1 23 27.865 15.904 23.274 0.00 0.00 -ATOM 2079 H2 H2O 1 23 29.351 16.562 23.434 0.00 0.00 -ATOM 2080 O1 H2O 2 24 2.714 10.705 23.031 0.00 0.00 -ATOM 2081 H1 H2O 2 24 3.672 10.929 23.208 0.00 0.00 -ATOM 2082 H2 H2O 2 24 2.184 11.549 22.949 0.00 0.00 -ATOM 2083 O1 H2O 3 25 7.118 22.801 19.633 0.00 0.00 -ATOM 2084 H1 H2O 3 25 7.557 21.910 19.754 0.00 0.00 -ATOM 2085 H2 H2O 3 25 6.849 22.912 18.676 0.00 0.00 -ATOM 2086 O1 H2O 4 26 15.707 15.989 22.638 0.00 0.00 -ATOM 2087 H1 H2O 4 26 15.161 16.705 23.074 0.00 0.00 -ATOM 2088 H2 H2O 4 26 15.222 15.117 22.701 0.00 0.00 -ATOM 2089 O1 H2O 5 27 8.247 1.671 21.392 0.00 0.00 -ATOM 2090 H1 H2O 5 27 8.864 1.765 20.611 0.00 0.00 -ATOM 2091 H2 H2O 5 27 8.512 2.319 22.106 0.00 0.00 -ATOM 2092 O1 H2O 6 28 20.619 11.106 22.569 0.00 0.00 -ATOM 2093 H1 H2O 6 28 20.489 11.009 21.582 0.00 0.00 -ATOM 2094 H2 H2O 6 28 20.930 12.033 22.775 0.00 0.00 -ATOM 2095 O1 H2O 7 29 19.868 19.009 21.421 0.00 0.00 -ATOM 2096 H1 H2O 7 29 19.009 19.361 21.049 0.00 0.00 -ATOM 2097 H2 H2O 7 29 20.635 19.513 21.023 0.00 0.00 -ATOM 2098 O1 H2O 8 30 3.337 28.546 22.975 0.00 0.00 -ATOM 2099 H1 H2O 8 30 2.476 28.332 22.514 0.00 0.00 -ATOM 2100 H2 H2O 8 30 3.714 27.712 23.378 0.00 0.00 -ATOM 2101 O1 H2O 9 31 25.456 8.548 23.238 0.00 0.00 -ATOM 2102 H1 H2O 9 31 25.352 8.562 22.244 0.00 0.00 -ATOM 2103 H2 H2O 9 31 24.562 8.671 23.669 0.00 0.00 -ATOM 2104 O1 H2O 0 32 29.557 17.661 20.138 0.00 0.00 -ATOM 2105 H1 H2O 0 32 28.645 17.947 20.432 0.00 0.00 -ATOM 2106 H2 H2O 0 32 29.685 16.691 20.346 0.00 0.00 -ATOM 2107 O1 H2O 1 33 18.286 5.825 19.488 0.00 0.00 -ATOM 2108 H1 H2O 1 33 18.714 6.436 20.154 0.00 0.00 -ATOM 2109 H2 H2O 1 33 18.186 6.302 18.615 0.00 0.00 -ATOM 2110 O1 H2O 2 34 26.221 0.334 19.810 0.00 0.00 -ATOM 2111 H1 H2O 2 34 25.416 0.776 19.415 0.00 0.00 -ATOM 2112 H2 H2O 2 34 26.973 0.991 19.858 0.00 0.00 -ATOM 2113 O1 H2O 3 35 21.911 7.610 22.281 0.00 0.00 -ATOM 2114 H1 H2O 3 35 22.261 8.370 22.828 0.00 0.00 -ATOM 2115 H2 H2O 3 35 22.312 6.753 22.606 0.00 0.00 -ATOM 2116 O1 H2O 4 36 11.643 15.244 23.712 0.00 0.00 -ATOM 2117 H1 H2O 4 36 12.274 14.618 23.253 0.00 0.00 -ATOM 2118 H2 H2O 4 36 11.405 15.991 23.091 0.00 0.00 -ATOM 2119 O1 H2O 5 37 22.342 25.027 21.476 0.00 0.00 -ATOM 2120 H1 H2O 5 37 22.042 24.284 20.879 0.00 0.00 -ATOM 2121 H2 H2O 5 37 23.067 25.546 21.023 0.00 0.00 -ATOM 2122 O1 H2O 6 38 29.455 20.570 23.504 0.00 0.00 -ATOM 2123 H1 H2O 6 38 28.715 21.119 23.892 0.00 0.00 -ATOM 2124 H2 H2O 6 38 29.682 20.912 22.592 0.00 0.00 -ATOM 2125 O1 H2O 7 39 8.942 24.647 21.067 0.00 0.00 -ATOM 2126 H1 H2O 7 39 8.391 25.427 21.363 0.00 0.00 -ATOM 2127 H2 H2O 7 39 8.392 24.055 20.478 0.00 0.00 -ATOM 2128 O1 H2O 8 40 7.622 6.705 20.632 0.00 0.00 -ATOM 2129 H1 H2O 8 40 7.290 5.796 20.884 0.00 0.00 -ATOM 2130 H2 H2O 8 40 8.562 6.635 20.297 0.00 0.00 -ATOM 2131 O1 H2O 9 41 27.867 13.226 23.649 0.00 0.00 -ATOM 2132 H1 H2O 9 41 28.330 14.113 23.656 0.00 0.00 -ATOM 2133 H2 H2O 9 41 27.148 13.232 22.954 0.00 0.00 -ATOM 2134 O1 H2O 0 42 24.803 0.200 22.113 0.00 0.00 -ATOM 2135 H1 H2O 0 42 25.378 -0.150 22.852 0.00 0.00 -ATOM 2136 H2 H2O 0 42 25.370 0.388 21.311 0.00 0.00 -ATOM 2137 O1 H2O 1 43 18.800 22.463 23.438 0.00 0.00 -ATOM 2138 H1 H2O 1 43 18.742 23.445 23.616 0.00 0.00 -ATOM 2139 H2 H2O 1 43 19.652 22.105 23.820 0.00 0.00 -ATOM 2140 O1 H2O 2 44 29.183 5.335 20.766 0.00 0.00 -ATOM 2141 H1 H2O 2 44 29.597 6.215 20.531 0.00 0.00 -ATOM 2142 H2 H2O 2 44 28.601 5.445 21.571 0.00 0.00 -ATOM 2143 O1 H2O 3 45 4.501 19.843 22.641 0.00 0.00 -ATOM 2144 H1 H2O 3 45 3.651 20.274 22.339 0.00 0.00 -ATOM 2145 H2 H2O 3 45 4.289 18.995 23.128 0.00 0.00 -ATOM 2146 O1 H2O 4 46 16.435 21.566 23.505 0.00 0.00 -ATOM 2147 H1 H2O 4 46 16.097 22.425 23.121 0.00 0.00 -ATOM 2148 H2 H2O 4 46 17.429 21.612 23.601 0.00 0.00 -ATOM 2149 O1 H2O 5 47 26.349 16.176 20.129 0.00 0.00 -ATOM 2150 H1 H2O 5 47 25.541 16.337 19.561 0.00 0.00 -ATOM 2151 H2 H2O 5 47 27.080 16.799 19.851 0.00 0.00 -ATOM 2152 O1 H2O 6 48 5.265 7.174 23.632 0.00 0.00 -ATOM 2153 H1 H2O 6 48 6.252 7.333 23.603 0.00 0.00 -ATOM 2154 H2 H2O 6 48 4.985 6.983 24.573 0.00 0.00 -ATOM 2155 O1 H2O 7 49 25.166 20.712 19.674 0.00 0.00 -ATOM 2156 H1 H2O 7 49 24.783 19.828 19.942 0.00 0.00 -ATOM 2157 H2 H2O 7 49 24.455 21.414 19.730 0.00 0.00 -ATOM 2158 O1 H2O 8 50 12.389 26.875 23.022 0.00 0.00 -ATOM 2159 H1 H2O 8 50 12.958 27.227 22.279 0.00 0.00 -ATOM 2160 H2 H2O 8 50 11.614 27.490 23.169 0.00 0.00 -ATOM 2161 O1 H2O 9 51 12.518 5.760 23.262 0.00 0.00 -ATOM 2162 H1 H2O 9 51 12.244 5.172 22.500 0.00 0.00 -ATOM 2163 H2 H2O 9 51 11.789 6.418 23.453 0.00 0.00 -ATOM 2164 O1 H2O 0 52 25.490 19.293 23.392 0.00 0.00 -ATOM 2165 H1 H2O 0 52 25.083 20.141 23.052 0.00 0.00 -ATOM 2166 H2 H2O 0 52 25.591 19.346 24.385 0.00 0.00 -ATOM 2167 O1 H2O 1 53 1.515 6.241 23.643 0.00 0.00 -ATOM 2168 H1 H2O 1 53 1.036 6.985 24.109 0.00 0.00 -ATOM 2169 H2 H2O 1 53 2.259 6.618 23.090 0.00 0.00 -ATOM 2170 O1 H2O 2 54 0.491 9.222 23.305 0.00 0.00 -ATOM 2171 H1 H2O 2 54 1.335 9.754 23.234 0.00 0.00 -ATOM 2172 H2 H2O 2 54 -0.287 9.843 23.392 0.00 0.00 -ATOM 2173 O1 H2O 3 55 11.464 10.336 22.641 0.00 0.00 -ATOM 2174 H1 H2O 3 55 12.309 9.806 22.712 0.00 0.00 -ATOM 2175 H2 H2O 3 55 11.349 10.655 21.700 0.00 0.00 -ATOM 2176 O1 H2O 4 56 3.189 29.466 20.265 0.00 0.00 -ATOM 2177 H1 H2O 4 56 4.182 29.582 20.258 0.00 0.00 -ATOM 2178 H2 H2O 4 56 2.788 30.063 20.960 0.00 0.00 -ATOM 2179 O1 H2O 5 57 14.812 23.203 19.785 0.00 0.00 -ATOM 2180 H1 H2O 5 57 15.674 23.632 19.515 0.00 0.00 -ATOM 2181 H2 H2O 5 57 14.060 23.845 19.638 0.00 0.00 -ATOM 2182 O1 H2O 6 58 15.376 23.819 22.410 0.00 0.00 -ATOM 2183 H1 H2O 6 58 14.537 23.625 22.919 0.00 0.00 -ATOM 2184 H2 H2O 6 58 15.264 23.530 21.460 0.00 0.00 -ATOM 2185 O1 H2O 7 59 27.361 19.036 21.094 0.00 0.00 -ATOM 2186 H1 H2O 7 59 26.576 19.458 20.640 0.00 0.00 -ATOM 2187 H2 H2O 7 59 27.127 18.837 22.046 0.00 0.00 -ATOM 2188 O1 H2O 8 60 21.055 11.035 19.862 0.00 0.00 -ATOM 2189 H1 H2O 8 60 21.363 11.978 19.735 0.00 0.00 -ATOM 2190 H2 H2O 8 60 21.826 10.412 19.727 0.00 0.00 -ATOM 2191 O1 H2O 9 61 5.212 0.650 23.189 0.00 0.00 -ATOM 2192 H1 H2O 9 61 6.068 0.309 23.576 0.00 0.00 -ATOM 2193 H2 H2O 9 61 4.533 -0.084 23.183 0.00 0.00 -ATOM 2194 O1 H2O 0 62 16.898 12.706 22.884 0.00 0.00 -ATOM 2195 H1 H2O 0 62 17.504 13.501 22.849 0.00 0.00 -ATOM 2196 H2 H2O 0 62 16.463 12.579 21.993 0.00 0.00 -ATOM 2197 O1 H2O 1 63 25.022 11.336 20.117 0.00 0.00 -ATOM 2198 H1 H2O 1 63 25.764 11.912 20.460 0.00 0.00 -ATOM 2199 H2 H2O 1 63 24.261 11.914 19.821 0.00 0.00 -ATOM 2200 O1 H2O 2 64 18.615 22.574 20.853 0.00 0.00 -ATOM 2201 H1 H2O 2 64 18.481 22.714 21.834 0.00 0.00 -ATOM 2202 H2 H2O 2 64 18.294 21.662 20.599 0.00 0.00 -ATOM 2203 O1 H2O 3 65 21.066 23.321 19.614 0.00 0.00 -ATOM 2204 H1 H2O 3 65 20.339 23.197 20.289 0.00 0.00 -ATOM 2205 H2 H2O 3 65 20.739 23.030 18.714 0.00 0.00 -ATOM 2206 O1 H2O 4 66 0.951 17.931 23.589 0.00 0.00 -ATOM 2207 H1 H2O 4 66 0.650 18.878 23.698 0.00 0.00 -ATOM 2208 H2 H2O 4 66 1.901 17.917 23.277 0.00 0.00 -ATOM 2209 O1 H2O 5 67 10.991 7.805 23.563 0.00 0.00 -ATOM 2210 H1 H2O 5 67 10.009 7.620 23.565 0.00 0.00 -ATOM 2211 H2 H2O 5 67 11.158 8.717 23.189 0.00 0.00 -ATOM 2212 O1 H2O 6 68 16.168 28.555 23.352 0.00 0.00 -ATOM 2213 H1 H2O 6 68 15.415 29.208 23.434 0.00 0.00 -ATOM 2214 H2 H2O 6 68 15.813 27.625 23.448 0.00 0.00 -ATOM 2215 O1 H2O 7 69 25.458 8.604 20.476 0.00 0.00 -ATOM 2216 H1 H2O 7 69 25.073 9.478 20.179 0.00 0.00 -ATOM 2217 H2 H2O 7 69 25.119 7.872 19.884 0.00 0.00 -ATOM 2218 O1 H2O 8 70 14.004 8.755 23.230 0.00 0.00 -ATOM 2219 H1 H2O 8 70 13.799 7.776 23.233 0.00 0.00 -ATOM 2220 H2 H2O 8 70 14.166 9.065 24.167 0.00 0.00 -ATOM 2221 O1 H2O 9 71 22.007 3.451 22.136 0.00 0.00 -ATOM 2222 H1 H2O 9 71 22.176 3.063 21.230 0.00 0.00 -ATOM 2223 H2 H2O 9 71 22.287 2.795 22.837 0.00 0.00 -ATOM 2224 O1 H2O 0 72 2.517 18.753 20.020 0.00 0.00 -ATOM 2225 H1 H2O 0 72 2.438 19.673 20.404 0.00 0.00 -ATOM 2226 H2 H2O 0 72 1.625 18.302 20.051 0.00 0.00 -ATOM 2227 O1 H2O 1 73 10.597 29.584 22.605 0.00 0.00 -ATOM 2228 H1 H2O 1 73 10.300 30.538 22.563 0.00 0.00 -ATOM 2229 H2 H2O 1 73 10.452 29.151 21.715 0.00 0.00 -ATOM 2230 O1 H2O 2 74 23.604 28.090 20.694 0.00 0.00 -ATOM 2231 H1 H2O 2 74 24.185 28.541 21.373 0.00 0.00 -ATOM 2232 H2 H2O 2 74 23.270 28.768 20.039 0.00 0.00 -ATOM 2233 O1 H2O 3 75 20.393 17.361 23.748 0.00 0.00 -ATOM 2234 H1 H2O 3 75 20.194 17.884 22.919 0.00 0.00 -ATOM 2235 H2 H2O 3 75 19.571 17.311 24.315 0.00 0.00 -ATOM 2236 O1 H2O 4 76 22.769 13.082 19.995 0.00 0.00 -ATOM 2237 H1 H2O 4 76 22.332 13.777 19.425 0.00 0.00 -ATOM 2238 H2 H2O 4 76 23.023 13.483 20.875 0.00 0.00 -ATOM 2239 O1 H2O 5 77 9.306 11.945 19.874 0.00 0.00 -ATOM 2240 H1 H2O 5 77 9.932 11.169 19.798 0.00 0.00 -ATOM 2241 H2 H2O 5 77 9.832 12.789 19.977 0.00 0.00 -ATOM 2242 O1 H2O 6 78 26.837 22.692 21.365 0.00 0.00 -ATOM 2243 H1 H2O 6 78 26.883 23.419 20.680 0.00 0.00 -ATOM 2244 H2 H2O 6 78 27.558 22.022 21.189 0.00 0.00 -ATOM 2245 O1 H2O 7 79 8.320 5.177 23.867 0.00 0.00 -ATOM 2246 H1 H2O 7 79 8.017 6.096 23.614 0.00 0.00 -ATOM 2247 H2 H2O 7 79 7.567 4.532 23.745 0.00 0.00 -ATOM 2248 O1 H2O 8 80 7.814 22.945 23.757 0.00 0.00 -ATOM 2249 H1 H2O 8 80 8.241 22.546 24.568 0.00 0.00 -ATOM 2250 H2 H2O 8 80 6.825 23.003 23.896 0.00 0.00 -ATOM 2251 O1 H2O 9 81 28.745 0.145 21.825 0.00 0.00 -ATOM 2252 H1 H2O 9 81 28.888 0.648 22.677 0.00 0.00 -ATOM 2253 H2 H2O 9 81 28.725 0.786 21.058 0.00 0.00 -ATOM 2254 O1 H2O 0 82 23.061 26.395 23.978 0.00 0.00 -ATOM 2255 H1 H2O 0 82 22.967 26.912 24.829 0.00 0.00 -ATOM 2256 H2 H2O 0 82 22.441 26.771 23.289 0.00 0.00 -ATOM 2257 O1 H2O 1 83 16.942 8.321 20.136 0.00 0.00 -ATOM 2258 H1 H2O 1 83 17.136 8.762 21.012 0.00 0.00 -ATOM 2259 H2 H2O 1 83 16.385 7.505 20.291 0.00 0.00 -ATOM 2260 O1 H2O 2 84 0.610 24.497 19.909 0.00 0.00 -ATOM 2261 H1 H2O 2 84 -0.320 24.570 19.549 0.00 0.00 -ATOM 2262 H2 H2O 2 84 0.581 24.114 20.832 0.00 0.00 -ATOM 2263 O1 H2O 3 85 28.116 2.166 20.193 0.00 0.00 -ATOM 2264 H1 H2O 3 85 27.663 2.919 20.669 0.00 0.00 -ATOM 2265 H2 H2O 3 85 28.934 2.507 19.730 0.00 0.00 -ATOM 2266 O1 H2O 4 86 9.984 2.498 19.684 0.00 0.00 -ATOM 2267 H1 H2O 4 86 9.779 2.955 18.818 0.00 0.00 -ATOM 2268 H2 H2O 4 86 10.708 2.997 20.161 0.00 0.00 -ATOM 2269 O1 H2O 5 87 0.582 29.666 19.525 0.00 0.00 -ATOM 2270 H1 H2O 5 87 1.565 29.699 19.707 0.00 0.00 -ATOM 2271 H2 H2O 5 87 0.161 28.961 20.095 0.00 0.00 -ATOM 2272 O1 H2O 6 88 18.257 15.110 22.289 0.00 0.00 -ATOM 2273 H1 H2O 6 88 18.677 15.659 21.567 0.00 0.00 -ATOM 2274 H2 H2O 6 88 17.354 15.480 22.506 0.00 0.00 -ATOM 2275 O1 H2O 7 89 12.529 2.354 23.639 0.00 0.00 -ATOM 2276 H1 H2O 7 89 13.113 3.136 23.858 0.00 0.00 -ATOM 2277 H2 H2O 7 89 13.096 1.590 23.333 0.00 0.00 -ATOM 2278 O1 H2O 8 90 6.849 12.346 20.856 0.00 0.00 -ATOM 2279 H1 H2O 8 90 6.134 11.799 20.420 0.00 0.00 -ATOM 2280 H2 H2O 8 90 7.741 12.088 20.483 0.00 0.00 -ATOM 2281 O1 H2O 9 91 8.248 20.561 20.134 0.00 0.00 -ATOM 2282 H1 H2O 9 91 8.591 19.641 19.946 0.00 0.00 -ATOM 2283 H2 H2O 9 91 7.766 20.564 21.011 0.00 0.00 -ATOM 2284 O1 H2O 0 92 11.991 20.850 23.756 0.00 0.00 -ATOM 2285 H1 H2O 0 92 11.670 20.483 24.629 0.00 0.00 -ATOM 2286 H2 H2O 0 92 11.246 20.819 23.088 0.00 0.00 -ATOM 2287 O1 H2O 1 93 0.975 27.906 21.910 0.00 0.00 -ATOM 2288 H1 H2O 1 93 0.628 27.130 22.437 0.00 0.00 -ATOM 2289 H2 H2O 1 93 0.264 28.605 21.839 0.00 0.00 -ATOM 2290 O1 H2O 2 94 24.390 21.975 22.749 0.00 0.00 -ATOM 2291 H1 H2O 2 94 25.049 22.141 22.015 0.00 0.00 -ATOM 2292 H2 H2O 2 94 23.467 22.173 22.418 0.00 0.00 -ATOM 2293 O1 H2O 3 95 4.154 2.879 20.353 0.00 0.00 -ATOM 2294 H1 H2O 3 95 4.606 2.090 19.937 0.00 0.00 -ATOM 2295 H2 H2O 3 95 3.417 2.563 20.951 0.00 0.00 -ATOM 2296 O1 H2O 4 96 5.583 18.064 20.077 0.00 0.00 -ATOM 2297 H1 H2O 4 96 4.735 18.243 19.579 0.00 0.00 -ATOM 2298 H2 H2O 4 96 5.446 18.257 21.049 0.00 0.00 -ATOM 2299 O1 H2O 5 97 8.387 17.995 19.712 0.00 0.00 -ATOM 2300 H1 H2O 5 97 7.445 18.073 19.384 0.00 0.00 -ATOM 2301 H2 H2O 5 97 8.608 17.032 19.866 0.00 0.00 -ATOM 2302 O1 H2O 6 98 6.989 28.209 19.720 0.00 0.00 -ATOM 2303 H1 H2O 6 98 6.466 27.464 19.306 0.00 0.00 -ATOM 2304 H2 H2O 6 98 6.451 29.051 19.687 0.00 0.00 -ATOM 2305 O1 H2O 7 99 21.027 24.354 23.697 0.00 0.00 -ATOM 2306 H1 H2O 7 99 21.262 23.427 23.989 0.00 0.00 -ATOM 2307 H2 H2O 7 99 21.772 24.728 23.144 0.00 0.00 -ATOM 2308 O1 H2O 8 100 14.231 13.713 22.833 0.00 0.00 -ATOM 2309 H1 H2O 8 100 13.956 13.487 21.898 0.00 0.00 -ATOM 2310 H2 H2O 8 100 14.685 12.925 23.247 0.00 0.00 -ATOM 2311 O1 H2O 9 101 23.240 5.399 23.410 0.00 0.00 -ATOM 2312 H1 H2O 9 101 22.852 5.522 24.324 0.00 0.00 -ATOM 2313 H2 H2O 9 101 22.761 4.656 22.942 0.00 0.00 -ATOM 2314 O1 H2O 0 102 16.695 1.834 22.923 0.00 0.00 -ATOM 2315 H1 H2O 0 102 16.013 2.538 23.119 0.00 0.00 -ATOM 2316 H2 H2O 0 102 17.399 2.209 22.320 0.00 0.00 -ATOM 2317 O1 H2O 1 103 5.191 23.423 21.284 0.00 0.00 -ATOM 2318 H1 H2O 1 103 5.931 22.971 20.787 0.00 0.00 -ATOM 2319 H2 H2O 1 103 4.386 23.492 20.695 0.00 0.00 -ATOM 2320 O1 H2O 2 104 9.465 27.004 24.035 0.00 0.00 -ATOM 2321 H1 H2O 2 104 8.911 26.873 24.858 0.00 0.00 -ATOM 2322 H2 H2O 2 104 8.875 26.977 23.229 0.00 0.00 -ATOM 2323 O1 H2O 3 105 24.082 18.524 20.897 0.00 0.00 -ATOM 2324 H1 H2O 3 105 23.635 17.691 20.570 0.00 0.00 -ATOM 2325 H2 H2O 3 105 24.467 18.361 21.806 0.00 0.00 -ATOM 2326 O1 H2O 4 106 6.378 15.981 22.805 0.00 0.00 -ATOM 2327 H1 H2O 4 106 6.123 15.728 21.871 0.00 0.00 -ATOM 2328 H2 H2O 4 106 6.585 15.154 23.329 0.00 0.00 -ATOM 2329 O1 H2O 5 107 1.212 12.737 22.346 0.00 0.00 -ATOM 2330 H1 H2O 5 107 0.222 12.621 22.425 0.00 0.00 -ATOM 2331 H2 H2O 5 107 1.461 13.668 22.612 0.00 0.00 -ATOM 2332 O1 H2O 6 108 6.689 4.246 20.905 0.00 0.00 -ATOM 2333 H1 H2O 6 108 6.194 3.700 20.229 0.00 0.00 -ATOM 2334 H2 H2O 6 108 6.476 3.913 21.823 0.00 0.00 -ATOM 2335 O1 H2O 7 109 13.665 20.608 19.907 0.00 0.00 -ATOM 2336 H1 H2O 7 109 14.117 21.498 19.832 0.00 0.00 -ATOM 2337 H2 H2O 7 109 14.349 19.881 19.843 0.00 0.00 -ATOM 2338 O1 H2O 8 110 5.450 10.171 23.458 0.00 0.00 -ATOM 2339 H1 H2O 8 110 5.169 9.556 24.194 0.00 0.00 -ATOM 2340 H2 H2O 8 110 5.866 9.640 22.720 0.00 0.00 -ATOM 2341 O1 H2O 9 111 22.618 1.105 23.558 0.00 0.00 -ATOM 2342 H1 H2O 9 111 22.754 0.788 24.497 0.00 0.00 -ATOM 2343 H2 H2O 9 111 23.184 0.562 22.938 0.00 0.00 -ATOM 2344 O1 H2O 0 112 9.881 12.900 23.652 0.00 0.00 -ATOM 2345 H1 H2O 0 112 10.117 11.970 23.930 0.00 0.00 -ATOM 2346 H2 H2O 0 112 10.442 13.553 24.161 0.00 0.00 -ATOM 2347 O1 H2O 1 113 14.465 19.969 23.202 0.00 0.00 -ATOM 2348 H1 H2O 1 113 15.293 20.491 23.409 0.00 0.00 -ATOM 2349 H2 H2O 1 113 13.669 20.572 23.255 0.00 0.00 -ATOM 2350 O1 H2O 2 114 2.434 21.230 21.025 0.00 0.00 -ATOM 2351 H1 H2O 2 114 2.972 21.723 20.342 0.00 0.00 -ATOM 2352 H2 H2O 2 114 2.499 21.701 21.904 0.00 0.00 -ATOM 2353 O1 H2O 3 115 13.918 10.856 20.028 0.00 0.00 -ATOM 2354 H1 H2O 3 115 14.766 11.312 20.297 0.00 0.00 -ATOM 2355 H2 H2O 3 115 14.063 9.867 20.009 0.00 0.00 -ATOM 2356 O1 H2O 4 116 19.446 7.378 21.215 0.00 0.00 -ATOM 2357 H1 H2O 4 116 20.418 7.408 21.448 0.00 0.00 -ATOM 2358 H2 H2O 4 116 18.900 7.573 22.030 0.00 0.00 -ATOM 2359 O1 H2O 5 117 2.731 21.947 23.550 0.00 0.00 -ATOM 2360 H1 H2O 5 117 3.466 22.426 24.029 0.00 0.00 -ATOM 2361 H2 H2O 5 117 2.314 21.277 24.164 0.00 0.00 -ATOM 2362 O1 H2O 6 118 5.377 26.037 20.063 0.00 0.00 -ATOM 2363 H1 H2O 6 118 5.641 25.266 20.642 0.00 0.00 -ATOM 2364 H2 H2O 6 118 4.418 26.266 20.228 0.00 0.00 -ATOM 2365 O1 H2O 7 119 17.164 5.705 23.436 0.00 0.00 -ATOM 2366 H1 H2O 7 119 17.573 6.607 23.572 0.00 0.00 -ATOM 2367 H2 H2O 7 119 17.887 5.017 23.377 0.00 0.00 -ATOM 2368 O1 H2O 8 120 7.821 7.762 23.194 0.00 0.00 -ATOM 2369 H1 H2O 8 120 7.956 7.505 22.237 0.00 0.00 -ATOM 2370 H2 H2O 8 120 7.948 8.748 23.296 0.00 0.00 -ATOM 2371 O1 H2O 9 121 5.707 14.918 20.187 0.00 0.00 -ATOM 2372 H1 H2O 9 121 5.748 13.959 20.466 0.00 0.00 -ATOM 2373 H2 H2O 9 121 4.752 15.190 20.069 0.00 0.00 -ATOM 2374 O1 H2O 0 122 18.896 28.821 23.891 0.00 0.00 -ATOM 2375 H1 H2O 0 122 19.054 28.635 24.861 0.00 0.00 -ATOM 2376 H2 H2O 0 122 17.947 28.608 23.660 0.00 0.00 -ATOM 2377 O1 H2O 1 123 20.631 13.836 22.905 0.00 0.00 -ATOM 2378 H1 H2O 1 123 19.690 14.175 22.918 0.00 0.00 -ATOM 2379 H2 H2O 1 123 21.198 14.406 23.501 0.00 0.00 -ATOM 2380 O1 H2O 2 124 14.927 3.202 20.777 0.00 0.00 -ATOM 2381 H1 H2O 2 124 15.882 3.306 21.056 0.00 0.00 -ATOM 2382 H2 H2O 2 124 14.836 2.396 20.192 0.00 0.00 -ATOM 2383 O1 H2O 3 125 15.279 5.908 20.278 0.00 0.00 -ATOM 2384 H1 H2O 3 125 15.111 5.193 20.957 0.00 0.00 -ATOM 2385 H2 H2O 3 125 15.232 5.513 19.361 0.00 0.00 -ATOM 2386 O1 H2O 4 126 26.547 16.790 22.890 0.00 0.00 -ATOM 2387 H1 H2O 4 126 26.152 16.341 22.089 0.00 0.00 -ATOM 2388 H2 H2O 4 126 25.874 17.413 23.289 0.00 0.00 -ATOM 2389 O1 H2O 5 127 16.953 26.476 21.409 0.00 0.00 -ATOM 2390 H1 H2O 5 127 16.998 25.866 20.618 0.00 0.00 -ATOM 2391 H2 H2O 5 127 17.408 26.045 22.189 0.00 0.00 -ATOM 2392 O1 H2O 6 128 4.739 11.044 19.731 0.00 0.00 -ATOM 2393 H1 H2O 6 128 4.007 11.722 19.792 0.00 0.00 -ATOM 2394 H2 H2O 6 128 4.369 10.135 19.924 0.00 0.00 -ATOM 2395 O1 H2O 7 129 13.512 29.415 23.756 0.00 0.00 -ATOM 2396 H1 H2O 7 129 13.450 29.413 22.758 0.00 0.00 -ATOM 2397 H2 H2O 7 129 12.593 29.355 24.146 0.00 0.00 -ATOM 2398 O1 H2O 8 130 6.692 9.268 20.816 0.00 0.00 -ATOM 2399 H1 H2O 8 130 6.984 8.345 20.565 0.00 0.00 -ATOM 2400 H2 H2O 8 130 6.044 9.610 20.135 0.00 0.00 -ATOM 2401 O1 H2O 9 131 13.093 23.449 23.698 0.00 0.00 -ATOM 2402 H1 H2O 9 131 12.813 22.536 23.996 0.00 0.00 -ATOM 2403 H2 H2O 9 131 12.290 23.963 23.397 0.00 0.00 -ATOM 2404 O1 H2O 0 132 25.662 2.873 21.564 0.00 0.00 -ATOM 2405 H1 H2O 0 132 25.736 2.108 22.204 0.00 0.00 -ATOM 2406 H2 H2O 0 132 25.691 3.735 22.070 0.00 0.00 -ATOM 2407 O1 H2O 1 133 27.238 24.918 19.781 0.00 0.00 -ATOM 2408 H1 H2O 1 133 26.245 25.036 19.795 0.00 0.00 -ATOM 2409 H2 H2O 1 133 27.681 25.814 19.814 0.00 0.00 -ATOM 2410 O1 H2O 2 134 8.654 10.312 23.153 0.00 0.00 -ATOM 2411 H1 H2O 2 134 9.580 10.422 22.792 0.00 0.00 -ATOM 2412 H2 H2O 2 134 7.992 10.639 22.478 0.00 0.00 -ATOM 2413 O1 H2O 3 135 5.152 23.413 23.861 0.00 0.00 -ATOM 2414 H1 H2O 3 135 5.008 24.262 24.370 0.00 0.00 -ATOM 2415 H2 H2O 3 135 4.888 23.548 22.906 0.00 0.00 -ATOM 2416 O1 H2O 4 136 17.363 29.058 20.751 0.00 0.00 -ATOM 2417 H1 H2O 4 136 17.264 28.066 20.818 0.00 0.00 -ATOM 2418 H2 H2O 4 136 16.869 29.495 21.502 0.00 0.00 -ATOM 2419 O1 H2O 5 137 22.094 20.549 21.033 0.00 0.00 -ATOM 2420 H1 H2O 5 137 22.779 19.862 21.273 0.00 0.00 -ATOM 2421 H2 H2O 5 137 22.524 21.276 20.498 0.00 0.00 -ATOM 2422 O1 H2O 6 138 0.924 3.333 19.631 0.00 0.00 -ATOM 2423 H1 H2O 6 138 1.426 3.600 18.808 0.00 0.00 -ATOM 2424 H2 H2O 6 138 0.427 4.124 19.989 0.00 0.00 -ATOM 2425 O1 H2O 7 139 10.641 24.640 23.358 0.00 0.00 -ATOM 2426 H1 H2O 7 139 10.072 24.624 22.536 0.00 0.00 -ATOM 2427 H2 H2O 7 139 10.675 25.571 23.722 0.00 0.00 -ATOM 2428 O1 H2O 8 140 3.097 15.853 20.231 0.00 0.00 -ATOM 2429 H1 H2O 8 140 2.990 16.840 20.111 0.00 0.00 -ATOM 2430 H2 H2O 8 140 2.797 15.594 21.149 0.00 0.00 -ATOM 2431 O1 H2O 9 141 23.733 2.734 19.816 0.00 0.00 -ATOM 2432 H1 H2O 9 141 24.371 2.929 20.562 0.00 0.00 -ATOM 2433 H2 H2O 9 141 23.914 3.354 19.053 0.00 0.00 -ATOM 2434 O1 H2O 0 142 28.625 12.053 19.977 0.00 0.00 -ATOM 2435 H1 H2O 0 142 28.879 11.920 19.019 0.00 0.00 -ATOM 2436 H2 H2O 0 142 28.661 11.175 20.456 0.00 0.00 -ATOM 2437 O1 H2O 1 143 14.911 4.302 23.738 0.00 0.00 -ATOM 2438 H1 H2O 1 143 14.174 4.972 23.659 0.00 0.00 -ATOM 2439 H2 H2O 1 143 15.784 4.739 23.523 0.00 0.00 -ATOM 2440 O1 H2O 2 144 8.427 15.412 20.051 0.00 0.00 -ATOM 2441 H1 H2O 2 144 7.444 15.251 20.142 0.00 0.00 -ATOM 2442 H2 H2O 2 144 8.902 14.536 19.964 0.00 0.00 -ATOM 2443 O1 H2O 3 145 14.318 26.073 20.122 0.00 0.00 -ATOM 2444 H1 H2O 3 145 14.195 26.650 19.314 0.00 0.00 -ATOM 2445 H2 H2O 3 145 15.129 26.372 20.625 0.00 0.00 -ATOM 2446 O1 H2O 4 146 10.597 5.870 19.832 0.00 0.00 -ATOM 2447 H1 H2O 4 146 11.115 5.069 20.131 0.00 0.00 -ATOM 2448 H2 H2O 4 146 10.594 5.911 18.833 0.00 0.00 -ATOM 2449 O1 H2O 5 147 18.419 10.738 19.663 0.00 0.00 -ATOM 2450 H1 H2O 5 147 19.418 10.701 19.655 0.00 0.00 -ATOM 2451 H2 H2O 5 147 18.053 9.831 19.871 0.00 0.00 -ATOM 2452 O1 H2O 6 148 5.789 0.677 20.430 0.00 0.00 -ATOM 2453 H1 H2O 6 148 5.421 0.548 21.351 0.00 0.00 -ATOM 2454 H2 H2O 6 148 6.679 1.129 20.488 0.00 0.00 -ATOM 2455 O1 H2O 7 149 26.737 13.623 21.067 0.00 0.00 -ATOM 2456 H1 H2O 7 149 27.497 13.036 20.786 0.00 0.00 -ATOM 2457 H2 H2O 7 149 26.769 14.479 20.551 0.00 0.00 -ATOM 2458 O1 H2O 8 150 3.125 7.837 22.313 0.00 0.00 -ATOM 2459 H1 H2O 8 150 4.026 7.464 22.534 0.00 0.00 -ATOM 2460 H2 H2O 8 150 3.168 8.836 22.319 0.00 0.00 -ATOM 2461 O1 H2O 9 151 21.411 21.515 23.738 0.00 0.00 -ATOM 2462 H1 H2O 9 151 22.376 21.265 23.814 0.00 0.00 -ATOM 2463 H2 H2O 9 151 21.027 21.110 22.908 0.00 0.00 -ATOM 2464 O1 H2O 0 152 16.202 12.267 20.432 0.00 0.00 -ATOM 2465 H1 H2O 0 152 16.793 11.593 19.991 0.00 0.00 -ATOM 2466 H2 H2O 0 152 16.163 13.094 19.871 0.00 0.00 -ATOM 2467 O1 H2O 1 153 27.932 9.451 20.979 0.00 0.00 -ATOM 2468 H1 H2O 1 153 27.876 9.878 21.881 0.00 0.00 -ATOM 2469 H2 H2O 1 153 27.021 9.151 20.695 0.00 0.00 -ATOM 2470 O1 H2O 2 154 28.366 4.393 23.304 0.00 0.00 -ATOM 2471 H1 H2O 2 154 28.205 5.218 23.846 0.00 0.00 -ATOM 2472 H2 H2O 2 154 29.338 4.157 23.337 0.00 0.00 -ATOM 2473 O1 H2O 3 155 4.169 8.490 19.718 0.00 0.00 -ATOM 2474 H1 H2O 3 155 4.262 7.505 19.862 0.00 0.00 -ATOM 2475 H2 H2O 3 155 3.279 8.684 19.305 0.00 0.00 -ATOM 2476 O1 H2O 4 156 4.372 4.827 22.598 0.00 0.00 -ATOM 2477 H1 H2O 4 156 4.105 4.697 21.643 0.00 0.00 -ATOM 2478 H2 H2O 4 156 4.762 5.741 22.714 0.00 0.00 -ATOM 2479 O1 H2O 5 157 7.968 18.214 23.587 0.00 0.00 -ATOM 2480 H1 H2O 5 157 7.781 18.333 24.562 0.00 0.00 -ATOM 2481 H2 H2O 5 157 7.451 17.432 23.240 0.00 0.00 -ATOM 2482 O1 H2O 6 158 11.556 25.938 20.269 0.00 0.00 -ATOM 2483 H1 H2O 6 158 11.454 25.067 19.790 0.00 0.00 -ATOM 2484 H2 H2O 6 158 12.527 26.133 20.404 0.00 0.00 -ATOM 2485 O1 H2O 7 159 22.455 8.627 19.572 0.00 0.00 -ATOM 2486 H1 H2O 7 159 22.040 8.521 20.476 0.00 0.00 -ATOM 2487 H2 H2O 7 159 23.003 7.818 19.360 0.00 0.00 -ATOM 2488 O1 H2O 8 160 23.452 16.965 23.725 0.00 0.00 -ATOM 2489 H1 H2O 8 160 23.659 16.968 24.703 0.00 0.00 -ATOM 2490 H2 H2O 8 160 22.482 17.169 23.589 0.00 0.00 -ATOM 2491 O1 H2O 9 161 1.445 3.559 23.511 0.00 0.00 -ATOM 2492 H1 H2O 9 161 1.593 2.986 24.318 0.00 0.00 -ATOM 2493 H2 H2O 9 161 1.769 4.487 23.698 0.00 0.00 -ATOM 2494 O1 H2O 0 162 2.745 26.307 20.389 0.00 0.00 -ATOM 2495 H1 H2O 0 162 1.922 25.802 20.129 0.00 0.00 -ATOM 2496 H2 H2O 0 162 2.613 27.280 20.202 0.00 0.00 -ATOM 2497 O1 H2O 1 163 9.902 21.705 22.278 0.00 0.00 -ATOM 2498 H1 H2O 1 163 9.221 22.299 22.707 0.00 0.00 -ATOM 2499 H2 H2O 1 163 9.489 21.230 21.501 0.00 0.00 -ATOM 2500 O1 H2O 2 164 27.775 24.181 23.730 0.00 0.00 -ATOM 2501 H1 H2O 2 164 27.443 23.497 24.379 0.00 0.00 -ATOM 2502 H2 H2O 2 164 27.800 23.786 22.812 0.00 0.00 -ATOM 2503 O1 H2O 3 165 7.513 26.779 21.997 0.00 0.00 -ATOM 2504 H1 H2O 3 165 7.251 27.223 21.141 0.00 0.00 -ATOM 2505 H2 H2O 3 165 6.769 26.866 22.659 0.00 0.00 -ATOM 2506 O1 H2O 4 166 11.450 19.172 20.388 0.00 0.00 -ATOM 2507 H1 H2O 4 166 12.316 19.660 20.282 0.00 0.00 -ATOM 2508 H2 H2O 4 166 10.916 19.253 19.546 0.00 0.00 -ATOM 2509 O1 H2O 5 167 1.973 14.943 23.110 0.00 0.00 -ATOM 2510 H1 H2O 5 167 2.675 15.573 23.443 0.00 0.00 -ATOM 2511 H2 H2O 5 167 1.069 15.289 23.360 0.00 0.00 -ATOM 2512 O1 H2O 6 168 15.266 18.569 21.137 0.00 0.00 -ATOM 2513 H1 H2O 6 168 15.649 17.712 21.482 0.00 0.00 -ATOM 2514 H2 H2O 6 168 14.985 19.142 21.906 0.00 0.00 -ATOM 2515 O1 H2O 7 169 0.774 23.459 22.467 0.00 0.00 -ATOM 2516 H1 H2O 7 169 1.328 22.883 23.068 0.00 0.00 -ATOM 2517 H2 H2O 7 169 0.498 24.285 22.959 0.00 0.00 -ATOM 2518 O1 H2O 8 170 3.268 23.494 19.625 0.00 0.00 -ATOM 2519 H1 H2O 8 170 3.569 24.148 18.931 0.00 0.00 -ATOM 2520 H2 H2O 8 170 2.392 23.790 20.005 0.00 0.00 -ATOM 2521 O1 H2O 9 171 10.462 13.842 21.202 0.00 0.00 -ATOM 2522 H1 H2O 9 171 10.173 14.799 21.182 0.00 0.00 -ATOM 2523 H2 H2O 9 171 10.301 13.464 22.114 0.00 0.00 -ATOM 2524 O1 H2O 0 172 19.436 0.993 20.098 0.00 0.00 -ATOM 2525 H1 H2O 0 172 18.820 0.211 20.196 0.00 0.00 -ATOM 2526 H2 H2O 0 172 18.938 1.837 20.300 0.00 0.00 -ATOM 2527 O1 H2O 1 173 24.512 25.589 19.857 0.00 0.00 -ATOM 2528 H1 H2O 1 173 24.431 25.512 18.863 0.00 0.00 -ATOM 2529 H2 H2O 1 173 24.377 26.542 20.130 0.00 0.00 -ATOM 2530 O1 H2O 2 174 24.794 24.467 23.529 0.00 0.00 -ATOM 2531 H1 H2O 2 174 23.953 24.959 23.758 0.00 0.00 -ATOM 2532 H2 H2O 2 174 24.577 23.511 23.330 0.00 0.00 -ATOM 2533 O1 H2O 3 175 18.391 8.218 23.425 0.00 0.00 -ATOM 2534 H1 H2O 3 175 17.672 8.854 23.145 0.00 0.00 -ATOM 2535 H2 H2O 3 175 19.073 8.705 23.970 0.00 0.00 -ATOM 2536 O1 H2O 4 176 3.835 17.247 23.546 0.00 0.00 -ATOM 2537 H1 H2O 4 176 4.628 16.727 23.230 0.00 0.00 -ATOM 2538 H2 H2O 4 176 3.929 17.436 24.524 0.00 0.00 -ATOM 2539 O1 H2O 5 177 2.768 13.179 20.130 0.00 0.00 -ATOM 2540 H1 H2O 5 177 2.774 14.156 19.919 0.00 0.00 -ATOM 2541 H2 H2O 5 177 2.000 12.972 20.736 0.00 0.00 -ATOM 2542 O1 H2O 6 178 12.171 3.781 21.221 0.00 0.00 -ATOM 2543 H1 H2O 6 178 12.117 3.050 21.901 0.00 0.00 -ATOM 2544 H2 H2O 6 178 13.049 3.728 20.744 0.00 0.00 -ATOM 2545 O1 H2O 7 179 26.247 26.531 22.068 0.00 0.00 -ATOM 2546 H1 H2O 7 179 25.961 25.760 22.637 0.00 0.00 -ATOM 2547 H2 H2O 7 179 26.504 27.300 22.654 0.00 0.00 -ATOM 2548 O1 H2O 8 180 15.028 26.271 23.796 0.00 0.00 -ATOM 2549 H1 H2O 8 180 15.041 25.272 23.820 0.00 0.00 -ATOM 2550 H2 H2O 8 180 14.083 26.590 23.720 0.00 0.00 -ATOM 2551 O1 H2O 9 181 19.696 1.682 23.424 0.00 0.00 -ATOM 2552 H1 H2O 9 181 19.144 0.876 23.637 0.00 0.00 -ATOM 2553 H2 H2O 9 181 20.665 1.462 23.541 0.00 0.00 -ATOM 2554 O1 H2O 0 182 1.993 1.883 21.572 0.00 0.00 -ATOM 2555 H1 H2O 0 182 1.521 2.317 20.805 0.00 0.00 -ATOM 2556 H2 H2O 0 182 1.653 2.265 22.432 0.00 0.00 -ATOM 2557 O1 H2O 1 183 4.375 5.589 19.625 0.00 0.00 -ATOM 2558 H1 H2O 1 183 4.046 4.679 19.875 0.00 0.00 -ATOM 2559 H2 H2O 1 183 5.271 5.511 19.187 0.00 0.00 -ATOM 2560 O1 H2O 2 184 21.199 27.881 22.536 0.00 0.00 -ATOM 2561 H1 H2O 2 184 20.364 28.381 22.766 0.00 0.00 -ATOM 2562 H2 H2O 2 184 21.529 28.176 21.639 0.00 0.00 -ATOM 2563 O1 H2O 3 185 6.302 3.303 23.440 0.00 0.00 -ATOM 2564 H1 H2O 3 185 6.146 2.343 23.672 0.00 0.00 -ATOM 2565 H2 H2O 3 185 5.429 3.791 23.439 0.00 0.00 -ATOM 2566 O1 H2O 4 186 7.159 13.567 23.386 0.00 0.00 -ATOM 2567 H1 H2O 4 186 6.867 13.225 22.493 0.00 0.00 -ATOM 2568 H2 H2O 4 186 8.049 13.175 23.618 0.00 0.00 -ATOM 2569 O1 H2O 5 187 22.133 0.424 19.974 0.00 0.00 -ATOM 2570 H1 H2O 5 187 21.152 0.623 19.976 0.00 0.00 -ATOM 2571 H2 H2O 5 187 22.643 1.267 19.804 0.00 0.00 -ATOM 2572 O1 H2O 6 188 9.797 28.106 20.068 0.00 0.00 -ATOM 2573 H1 H2O 6 188 8.843 27.900 19.853 0.00 0.00 -ATOM 2574 H2 H2O 6 188 10.322 27.256 20.105 0.00 0.00 -ATOM 2575 O1 H2O 7 189 23.881 15.028 21.900 0.00 0.00 -ATOM 2576 H1 H2O 7 189 24.139 14.098 22.163 0.00 0.00 -ATOM 2577 H2 H2O 7 189 23.894 15.618 22.707 0.00 0.00 -ATOM 2578 O1 H2O 8 190 5.666 26.892 23.751 0.00 0.00 -ATOM 2579 H1 H2O 8 190 5.591 27.210 24.696 0.00 0.00 -ATOM 2580 H2 H2O 8 190 4.843 26.381 23.505 0.00 0.00 -ATOM 2581 O1 H2O 9 191 16.432 9.877 22.692 0.00 0.00 -ATOM 2582 H1 H2O 9 191 15.451 9.710 22.793 0.00 0.00 -ATOM 2583 H2 H2O 9 191 16.640 10.817 22.963 0.00 0.00 -ATOM 2584 O1 H2O 0 192 11.520 0.265 19.994 0.00 0.00 -ATOM 2585 H1 H2O 0 192 10.971 -0.568 19.935 0.00 0.00 -ATOM 2586 H2 H2O 0 192 11.000 1.034 19.622 0.00 0.00 -ATOM 2587 O1 H2O 1 193 22.657 16.513 20.108 0.00 0.00 -ATOM 2588 H1 H2O 1 193 21.660 16.516 20.181 0.00 0.00 -ATOM 2589 H2 H2O 1 193 23.037 15.846 20.749 0.00 0.00 -ATOM 2590 O1 H2O 2 194 13.535 7.993 20.300 0.00 0.00 -ATOM 2591 H1 H2O 2 194 14.281 7.338 20.182 0.00 0.00 -ATOM 2592 H2 H2O 2 194 13.336 8.100 21.274 0.00 0.00 -ATOM 2593 O1 H2O 3 195 7.124 20.399 22.391 0.00 0.00 -ATOM 2594 H1 H2O 3 195 7.617 19.698 22.907 0.00 0.00 -ATOM 2595 H2 H2O 3 195 6.141 20.296 22.544 0.00 0.00 -ATOM 2596 O1 H2O 4 196 23.767 6.048 19.955 0.00 0.00 -ATOM 2597 H1 H2O 4 196 24.522 5.429 20.167 0.00 0.00 -ATOM 2598 H2 H2O 4 196 23.072 5.985 20.672 0.00 0.00 -ATOM 2599 O1 H2O 5 197 15.302 0.773 19.799 0.00 0.00 -ATOM 2600 H1 H2O 5 197 16.104 0.180 19.864 0.00 0.00 -ATOM 2601 H2 H2O 5 197 14.821 0.591 18.942 0.00 0.00 -ATOM 2602 O1 H2O 6 198 19.829 16.541 20.206 0.00 0.00 -ATOM 2603 H1 H2O 6 198 19.495 16.724 19.282 0.00 0.00 -ATOM 2604 H2 H2O 6 198 19.986 17.406 20.682 0.00 0.00 -ATOM 2605 O1 H2O 7 199 27.016 28.590 23.706 0.00 0.00 -ATOM 2606 H1 H2O 7 199 27.286 29.551 23.770 0.00 0.00 -ATOM 2607 H2 H2O 7 199 27.289 28.110 24.539 0.00 0.00 -ATOM 2608 O1 H2O 8 200 7.701 0.036 23.809 0.00 0.00 -ATOM 2609 H1 H2O 8 200 7.975 0.107 22.850 0.00 0.00 -ATOM 2610 H2 H2O 8 200 8.513 -0.090 24.379 0.00 0.00 -ATOM 2611 O1 H2O 9 201 18.081 3.412 20.987 0.00 0.00 -ATOM 2612 H1 H2O 9 201 18.541 3.874 21.746 0.00 0.00 -ATOM 2613 H2 H2O 9 201 18.015 4.036 20.208 0.00 0.00 -ATOM 2614 O1 H2O 0 202 17.609 20.208 20.289 0.00 0.00 -ATOM 2615 H1 H2O 0 202 17.113 20.132 19.424 0.00 0.00 -ATOM 2616 H2 H2O 0 202 16.982 20.034 21.049 0.00 0.00 -ATOM 2617 O1 H2O 1 203 1.529 10.406 19.875 0.00 0.00 -ATOM 2618 H1 H2O 1 203 1.091 11.250 20.186 0.00 0.00 -ATOM 2619 H2 H2O 1 203 0.922 9.631 20.051 0.00 0.00 -ATOM 2620 O1 H2O 2 204 10.992 9.979 19.772 0.00 0.00 -ATOM 2621 H1 H2O 2 204 11.901 10.335 19.558 0.00 0.00 -ATOM 2622 H2 H2O 2 204 11.011 8.980 19.751 0.00 0.00 -ATOM 2623 O1 h2o 1 205 20.913 26.890 19.462 0.00 0.00 -ATOM 2624 H1 h2o 1 205 21.351 26.199 20.037 0.00 0.00 -ATOM 2625 H2 h2o 1 205 19.928 26.719 19.426 0.00 0.00 -ATOM 2626 O1 h2o 2 206 26.543 6.067 19.647 0.00 0.00 -ATOM 2627 H1 h2o 2 206 27.529 5.943 19.532 0.00 0.00 -ATOM 2628 H2 h2o 2 206 26.372 6.684 20.415 0.00 0.00 -ATOM 2629 O1 h2o 3 207 23.966 12.371 22.536 0.00 0.00 -ATOM 2630 H1 h2o 3 207 23.721 11.798 21.755 0.00 0.00 -ATOM 2631 H2 h2o 3 207 24.033 11.805 23.358 0.00 0.00 -ATOM 2632 O1 h2o 4 208 0.991 0.663 23.935 0.00 0.00 -ATOM 2633 H1 h2o 4 208 1.003 0.819 24.923 0.00 0.00 -ATOM 2634 H2 h2o 4 208 1.559 -0.130 23.716 0.00 0.00 -ATOM 2635 O1 h2o 5 209 15.640 15.008 20.163 0.00 0.00 -ATOM 2636 H1 h2o 5 209 14.662 14.812 20.093 0.00 0.00 -ATOM 2637 H2 h2o 5 209 15.784 15.755 20.813 0.00 0.00 -END -REMARK GOMC 3 2000000 -CRYST1 29.472 29.777 26.750 90.00 90.00 90.00 P 1 1 -ATOM 1 C1 TOP 1 1 15.350 15.597 10.050 0.00 1.00 -ATOM 2 C2 TOP 1 1 15.350 15.597 13.400 0.00 1.00 -ATOM 3 C3 TOP 1 1 15.350 15.597 16.750 0.00 1.00 -ATOM 4 C4 TOP 1 1 14.122 17.724 10.050 0.00 1.00 -ATOM 5 C5 TOP 1 1 14.122 17.724 13.400 0.00 1.00 -ATOM 6 C6 TOP 1 1 14.122 17.724 16.750 0.00 1.00 -ATOM 7 C7 TOP 1 1 12.894 19.851 10.050 0.00 1.00 -ATOM 8 C8 TOP 1 1 12.894 19.851 13.400 0.00 1.00 -ATOM 9 C9 TOP 1 1 12.894 19.851 16.750 0.00 1.00 -ATOM 10 CA TOP 1 1 11.666 21.978 10.050 0.00 1.00 -ATOM 11 CB TOP 1 1 11.666 21.978 13.400 0.00 1.00 -ATOM 12 CC TOP 1 1 11.666 21.978 16.750 0.00 1.00 -ATOM 13 CD TOP 1 1 10.438 24.105 10.050 0.00 1.00 -ATOM 14 CE TOP 1 1 10.438 24.105 13.400 0.00 1.00 -ATOM 15 CF TOP 1 1 10.438 24.105 16.750 0.00 1.00 -ATOM 16 CG TOP 1 1 9.210 26.232 10.050 0.00 1.00 -ATOM 17 CH TOP 1 1 9.210 26.232 13.400 0.00 1.00 -ATOM 18 CI TOP 1 1 9.210 26.232 16.750 0.00 1.00 -ATOM 19 CJ TOP 1 1 7.982 28.359 10.050 0.00 1.00 -ATOM 20 CK TOP 1 1 7.982 28.359 13.400 0.00 1.00 -ATOM 21 CL TOP 1 1 7.982 28.359 16.750 0.00 1.00 -ATOM 22 CM TOP 1 1 6.754 0.709 10.050 0.00 1.00 -ATOM 23 CN TOP 1 1 6.754 0.709 13.400 0.00 1.00 -ATOM 24 CO TOP 1 1 6.754 0.709 16.750 0.00 1.00 -ATOM 25 CP TOP 1 1 5.526 2.836 10.050 0.00 1.00 -ATOM 26 CQ TOP 1 1 5.526 2.836 13.400 0.00 1.00 -ATOM 27 CR TOP 1 1 5.526 2.836 16.750 0.00 1.00 -ATOM 28 CS TOP 1 1 4.298 4.963 10.050 0.00 1.00 -ATOM 29 CT TOP 1 1 4.298 4.963 13.400 0.00 1.00 -ATOM 30 CU TOP 1 1 4.298 4.963 16.750 0.00 1.00 -ATOM 31 CV TOP 1 1 3.070 7.090 10.050 0.00 1.00 -ATOM 32 CW TOP 1 1 3.070 7.090 13.400 0.00 1.00 -ATOM 33 CX TOP 1 1 3.070 7.090 16.750 0.00 1.00 -ATOM 34 CY TOP 1 1 1.842 9.217 10.050 0.00 1.00 -ATOM 35 CZ TOP 1 1 1.842 9.217 13.400 0.00 1.00 -ATOM 36 Ca TOP 1 1 1.842 9.217 16.750 0.00 1.00 -ATOM 37 Cb TOP 1 1 0.614 11.344 10.050 0.00 1.00 -ATOM 38 Cc TOP 1 1 0.614 11.344 13.400 0.00 1.00 -ATOM 39 Cd TOP 1 1 0.614 11.344 16.750 0.00 1.00 -ATOM 40 Ce TOP 1 1 28.858 13.471 10.050 0.00 1.00 -ATOM 41 Cf TOP 1 1 28.858 13.471 13.400 0.00 1.00 -ATOM 42 Cg TOP 1 1 28.858 13.471 16.750 0.00 1.00 -ATOM 43 Ch TOP 1 1 17.806 15.597 10.050 0.00 1.00 -ATOM 44 Ci TOP 1 1 17.806 15.597 13.400 0.00 1.00 -ATOM 45 Cj TOP 1 1 17.806 15.597 16.750 0.00 1.00 -ATOM 46 Ck TOP 1 1 16.578 17.724 10.050 0.00 1.00 -ATOM 47 Cl TOP 1 1 16.578 17.724 13.400 0.00 1.00 -ATOM 48 Cm TOP 1 1 16.578 17.724 16.750 0.00 1.00 -ATOM 49 Cn TOP 1 1 15.350 19.851 10.050 0.00 1.00 -ATOM 50 Co TOP 1 1 15.350 19.851 13.400 0.00 1.00 -ATOM 51 Cp TOP 1 1 15.350 19.851 16.750 0.00 1.00 -ATOM 52 Cq TOP 1 1 14.122 21.978 10.050 0.00 1.00 -ATOM 53 Cr TOP 1 1 14.122 21.978 13.400 0.00 1.00 -ATOM 54 Cs TOP 1 1 14.122 21.978 16.750 0.00 1.00 -ATOM 55 Ct TOP 1 1 12.894 24.105 10.050 0.00 1.00 -ATOM 56 Cu TOP 1 1 12.894 24.105 13.400 0.00 1.00 -ATOM 57 Cv TOP 1 1 12.894 24.105 16.750 0.00 1.00 -ATOM 58 Cw TOP 1 1 11.666 26.232 10.050 0.00 1.00 -ATOM 59 Cx TOP 1 1 11.666 26.232 13.400 0.00 1.00 -ATOM 60 Cy TOP 1 1 11.666 26.232 16.750 0.00 1.00 -ATOM 61 Cz TOP 1 1 10.438 28.359 10.050 0.00 1.00 -ATOM 62 C10 TOP 1 1 10.438 28.359 13.400 0.00 1.00 -ATOM 63 C11 TOP 1 1 10.438 28.359 16.750 0.00 1.00 -ATOM 64 C12 TOP 1 1 9.210 0.709 10.050 0.00 1.00 -ATOM 65 C13 TOP 1 1 9.210 0.709 13.400 0.00 1.00 -ATOM 66 C14 TOP 1 1 9.210 0.709 16.750 0.00 1.00 -ATOM 67 C15 TOP 1 1 7.982 2.836 10.050 0.00 1.00 -ATOM 68 C16 TOP 1 1 7.982 2.836 13.400 0.00 1.00 -ATOM 69 C17 TOP 1 1 7.982 2.836 16.750 0.00 1.00 -ATOM 70 C18 TOP 1 1 6.754 4.963 10.050 0.00 1.00 -ATOM 71 C19 TOP 1 1 6.754 4.963 13.400 0.00 1.00 -ATOM 72 C1A TOP 1 1 6.754 4.963 16.750 0.00 1.00 -ATOM 73 C1B TOP 1 1 5.526 7.090 10.050 0.00 1.00 -ATOM 74 C1C TOP 1 1 5.526 7.090 13.400 0.00 1.00 -ATOM 75 C1D TOP 1 1 5.526 7.090 16.750 0.00 1.00 -ATOM 76 C1E TOP 1 1 4.298 9.217 10.050 0.00 1.00 -ATOM 77 C1F TOP 1 1 4.298 9.217 13.400 0.00 1.00 -ATOM 78 C1G TOP 1 1 4.298 9.217 16.750 0.00 1.00 -ATOM 79 C1H TOP 1 1 3.070 11.344 10.050 0.00 1.00 -ATOM 80 C1I TOP 1 1 3.070 11.344 13.400 0.00 1.00 -ATOM 81 C1J TOP 1 1 3.070 11.344 16.750 0.00 1.00 -ATOM 82 C1K TOP 1 1 1.842 13.471 10.050 0.00 1.00 -ATOM 83 C1L TOP 1 1 1.842 13.471 13.400 0.00 1.00 -ATOM 84 C1M TOP 1 1 1.842 13.471 16.750 0.00 1.00 -ATOM 85 C1N TOP 1 1 20.262 15.597 10.050 0.00 1.00 -ATOM 86 C1O TOP 1 1 20.262 15.597 13.400 0.00 1.00 -ATOM 87 C1P TOP 1 1 20.262 15.597 16.750 0.00 1.00 -ATOM 88 C1Q TOP 1 1 19.034 17.724 10.050 0.00 1.00 -ATOM 89 C1R TOP 1 1 19.034 17.724 13.400 0.00 1.00 -ATOM 90 C1S TOP 1 1 19.034 17.724 16.750 0.00 1.00 -ATOM 91 C1T TOP 1 1 17.806 19.851 10.050 0.00 1.00 -ATOM 92 C1U TOP 1 1 17.806 19.851 13.400 0.00 1.00 -ATOM 93 C1V TOP 1 1 17.806 19.851 16.750 0.00 1.00 -ATOM 94 C1W TOP 1 1 16.578 21.978 10.050 0.00 1.00 -ATOM 95 C1X TOP 1 1 16.578 21.978 13.400 0.00 1.00 -ATOM 96 C1Y TOP 1 1 16.578 21.978 16.750 0.00 1.00 -ATOM 97 C1Z TOP 1 1 15.350 24.105 10.050 0.00 1.00 -ATOM 98 C1a TOP 1 1 15.350 24.105 13.400 0.00 1.00 -ATOM 99 C1b TOP 1 1 15.350 24.105 16.750 0.00 1.00 -ATOM 100 C1c TOP 1 1 14.122 26.232 10.050 0.00 1.00 -ATOM 101 C1d TOP 1 1 14.122 26.232 13.400 0.00 1.00 -ATOM 102 C1e TOP 1 1 14.122 26.232 16.750 0.00 1.00 -ATOM 103 C1f TOP 1 1 12.894 28.359 10.050 0.00 1.00 -ATOM 104 C1g TOP 1 1 12.894 28.359 13.400 0.00 1.00 -ATOM 105 C1h TOP 1 1 12.894 28.359 16.750 0.00 1.00 -ATOM 106 C1i TOP 1 1 11.666 0.709 10.050 0.00 1.00 -ATOM 107 C1j TOP 1 1 11.666 0.709 13.400 0.00 1.00 -ATOM 108 C1k TOP 1 1 11.666 0.709 16.750 0.00 1.00 -ATOM 109 C1l TOP 1 1 10.438 2.836 10.050 0.00 1.00 -ATOM 110 C1m TOP 1 1 10.438 2.836 13.400 0.00 1.00 -ATOM 111 C1n TOP 1 1 10.438 2.836 16.750 0.00 1.00 -ATOM 112 C1o TOP 1 1 9.210 4.963 10.050 0.00 1.00 -ATOM 113 C1p TOP 1 1 9.210 4.963 13.400 0.00 1.00 -ATOM 114 C1q TOP 1 1 9.210 4.963 16.750 0.00 1.00 -ATOM 115 C1r TOP 1 1 7.982 7.090 10.050 0.00 1.00 -ATOM 116 C1s TOP 1 1 7.982 7.090 13.400 0.00 1.00 -ATOM 117 C1t TOP 1 1 7.982 7.090 16.750 0.00 1.00 -ATOM 118 C1u TOP 1 1 6.754 9.217 10.050 0.00 1.00 -ATOM 119 C1v TOP 1 1 6.754 9.217 13.400 0.00 1.00 -ATOM 120 C1w TOP 1 1 6.754 9.217 16.750 0.00 1.00 -ATOM 121 C1x TOP 1 1 5.526 11.344 10.050 0.00 1.00 -ATOM 122 C1y TOP 1 1 5.526 11.344 13.400 0.00 1.00 -ATOM 123 C1z TOP 1 1 5.526 11.344 16.750 0.00 1.00 -ATOM 124 C20 TOP 1 1 4.298 13.471 10.050 0.00 1.00 -ATOM 125 C21 TOP 1 1 4.298 13.471 13.400 0.00 1.00 -ATOM 126 C22 TOP 1 1 4.298 13.471 16.750 0.00 1.00 -ATOM 127 C23 TOP 1 1 22.718 15.597 10.050 0.00 1.00 -ATOM 128 C24 TOP 1 1 22.718 15.597 13.400 0.00 1.00 -ATOM 129 C25 TOP 1 1 22.718 15.597 16.750 0.00 1.00 -ATOM 130 C26 TOP 1 1 21.490 17.724 10.050 0.00 1.00 -ATOM 131 C27 TOP 1 1 21.490 17.724 13.400 0.00 1.00 -ATOM 132 C28 TOP 1 1 21.490 17.724 16.750 0.00 1.00 -ATOM 133 C29 TOP 1 1 20.262 19.851 10.050 0.00 1.00 -ATOM 134 C2A TOP 1 1 20.262 19.851 13.400 0.00 1.00 -ATOM 135 C2B TOP 1 1 20.262 19.851 16.750 0.00 1.00 -ATOM 136 C2C TOP 1 1 19.034 21.978 10.050 0.00 1.00 -ATOM 137 C2D TOP 1 1 19.034 21.978 13.400 0.00 1.00 -ATOM 138 C2E TOP 1 1 19.034 21.978 16.750 0.00 1.00 -ATOM 139 C2F TOP 1 1 17.806 24.105 10.050 0.00 1.00 -ATOM 140 C2G TOP 1 1 17.806 24.105 13.400 0.00 1.00 -ATOM 141 C2H TOP 1 1 17.806 24.105 16.750 0.00 1.00 -ATOM 142 C2I TOP 1 1 16.578 26.232 10.050 0.00 1.00 -ATOM 143 C2J TOP 1 1 16.578 26.232 13.400 0.00 1.00 -ATOM 144 C2K TOP 1 1 16.578 26.232 16.750 0.00 1.00 -ATOM 145 C2L TOP 1 1 15.350 28.359 10.050 0.00 1.00 -ATOM 146 C2M TOP 1 1 15.350 28.359 13.400 0.00 1.00 -ATOM 147 C2N TOP 1 1 15.350 28.359 16.750 0.00 1.00 -ATOM 148 C2O TOP 1 1 14.122 0.709 10.050 0.00 1.00 -ATOM 149 C2P TOP 1 1 14.122 0.709 13.400 0.00 1.00 -ATOM 150 C2Q TOP 1 1 14.122 0.709 16.750 0.00 1.00 -ATOM 151 C2R TOP 1 1 12.894 2.836 10.050 0.00 1.00 -ATOM 152 C2S TOP 1 1 12.894 2.836 13.400 0.00 1.00 -ATOM 153 C2T TOP 1 1 12.894 2.836 16.750 0.00 1.00 -ATOM 154 C2U TOP 1 1 11.666 4.963 10.050 0.00 1.00 -ATOM 155 C2V TOP 1 1 11.666 4.963 13.400 0.00 1.00 -ATOM 156 C2W TOP 1 1 11.666 4.963 16.750 0.00 1.00 -ATOM 157 C2X TOP 1 1 10.438 7.090 10.050 0.00 1.00 -ATOM 158 C2Y TOP 1 1 10.438 7.090 13.400 0.00 1.00 -ATOM 159 C2Z TOP 1 1 10.438 7.090 16.750 0.00 1.00 -ATOM 160 C2a TOP 1 1 9.210 9.217 10.050 0.00 1.00 -ATOM 161 C2b TOP 1 1 9.210 9.217 13.400 0.00 1.00 -ATOM 162 C2c TOP 1 1 9.210 9.217 16.750 0.00 1.00 -ATOM 163 C2d TOP 1 1 7.982 11.344 10.050 0.00 1.00 -ATOM 164 C2e TOP 1 1 7.982 11.344 13.400 0.00 1.00 -ATOM 165 C2f TOP 1 1 7.982 11.344 16.750 0.00 1.00 -ATOM 166 C2g TOP 1 1 6.754 13.471 10.050 0.00 1.00 -ATOM 167 C2h TOP 1 1 6.754 13.471 13.400 0.00 1.00 -ATOM 168 C2i TOP 1 1 6.754 13.471 16.750 0.00 1.00 -ATOM 169 C2j TOP 1 1 25.174 15.597 10.050 0.00 1.00 -ATOM 170 C2k TOP 1 1 25.174 15.597 13.400 0.00 1.00 -ATOM 171 C2l TOP 1 1 25.174 15.597 16.750 0.00 1.00 -ATOM 172 C2m TOP 1 1 23.946 17.724 10.050 0.00 1.00 -ATOM 173 C2n TOP 1 1 23.946 17.724 13.400 0.00 1.00 -ATOM 174 C2o TOP 1 1 23.946 17.724 16.750 0.00 1.00 -ATOM 175 C2p TOP 1 1 22.718 19.851 10.050 0.00 1.00 -ATOM 176 C2q TOP 1 1 22.718 19.851 13.400 0.00 1.00 -ATOM 177 C2r TOP 1 1 22.718 19.851 16.750 0.00 1.00 -ATOM 178 C2s TOP 1 1 21.490 21.978 10.050 0.00 1.00 -ATOM 179 C2t TOP 1 1 21.490 21.978 13.400 0.00 1.00 -ATOM 180 C2u TOP 1 1 21.490 21.978 16.750 0.00 1.00 -ATOM 181 C2v TOP 1 1 20.262 24.105 10.050 0.00 1.00 -ATOM 182 C2w TOP 1 1 20.262 24.105 13.400 0.00 1.00 -ATOM 183 C2x TOP 1 1 20.262 24.105 16.750 0.00 1.00 -ATOM 184 C2y TOP 1 1 19.034 26.232 10.050 0.00 1.00 -ATOM 185 C2z TOP 1 1 19.034 26.232 13.400 0.00 1.00 -ATOM 186 C30 TOP 1 1 19.034 26.232 16.750 0.00 1.00 -ATOM 187 C31 TOP 1 1 17.806 28.359 10.050 0.00 1.00 -ATOM 188 C32 TOP 1 1 17.806 28.359 13.400 0.00 1.00 -ATOM 189 C33 TOP 1 1 17.806 28.359 16.750 0.00 1.00 -ATOM 190 C34 TOP 1 1 16.578 0.709 10.050 0.00 1.00 -ATOM 191 C35 TOP 1 1 16.578 0.709 13.400 0.00 1.00 -ATOM 192 C36 TOP 1 1 16.578 0.709 16.750 0.00 1.00 -ATOM 193 C37 TOP 1 1 15.350 2.836 10.050 0.00 1.00 -ATOM 194 C38 TOP 1 1 15.350 2.836 13.400 0.00 1.00 -ATOM 195 C39 TOP 1 1 15.350 2.836 16.750 0.00 1.00 -ATOM 196 C3A TOP 1 1 14.122 4.963 10.050 0.00 1.00 -ATOM 197 C3B TOP 1 1 14.122 4.963 13.400 0.00 1.00 -ATOM 198 C3C TOP 1 1 14.122 4.963 16.750 0.00 1.00 -ATOM 199 C3D TOP 1 1 12.894 7.090 10.050 0.00 1.00 -ATOM 200 C3E TOP 1 1 12.894 7.090 13.400 0.00 1.00 -ATOM 201 C3F TOP 1 1 12.894 7.090 16.750 0.00 1.00 -ATOM 202 C3G TOP 1 1 11.666 9.217 10.050 0.00 1.00 -ATOM 203 C3H TOP 1 1 11.666 9.217 13.400 0.00 1.00 -ATOM 204 C3I TOP 1 1 11.666 9.217 16.750 0.00 1.00 -ATOM 205 C3J TOP 1 1 10.438 11.344 10.050 0.00 1.00 -ATOM 206 C3K TOP 1 1 10.438 11.344 13.400 0.00 1.00 -ATOM 207 C3L TOP 1 1 10.438 11.344 16.750 0.00 1.00 -ATOM 208 C3M TOP 1 1 9.210 13.471 10.050 0.00 1.00 -ATOM 209 C3N TOP 1 1 9.210 13.471 13.400 0.00 1.00 -ATOM 210 C3O TOP 1 1 9.210 13.471 16.750 0.00 1.00 -ATOM 211 C3P TOP 1 1 27.630 15.597 10.050 0.00 1.00 -ATOM 212 C3Q TOP 1 1 27.630 15.597 13.400 0.00 1.00 -ATOM 213 C3R TOP 1 1 27.630 15.597 16.750 0.00 1.00 -ATOM 214 C3S TOP 1 1 26.402 17.724 10.050 0.00 1.00 -ATOM 215 C3T TOP 1 1 26.402 17.724 13.400 0.00 1.00 -ATOM 216 C3U TOP 1 1 26.402 17.724 16.750 0.00 1.00 -ATOM 217 C3V TOP 1 1 25.174 19.851 10.050 0.00 1.00 -ATOM 218 C3W TOP 1 1 25.174 19.851 13.400 0.00 1.00 -ATOM 219 C3X TOP 1 1 25.174 19.851 16.750 0.00 1.00 -ATOM 220 C3Y TOP 1 1 23.946 21.978 10.050 0.00 1.00 -ATOM 221 C3Z TOP 1 1 23.946 21.978 13.400 0.00 1.00 -ATOM 222 C3a TOP 1 1 23.946 21.978 16.750 0.00 1.00 -ATOM 223 C3b TOP 1 1 22.718 24.105 10.050 0.00 1.00 -ATOM 224 C3c TOP 1 1 22.718 24.105 13.400 0.00 1.00 -ATOM 225 C3d TOP 1 1 22.718 24.105 16.750 0.00 1.00 -ATOM 226 C3e TOP 1 1 21.490 26.232 10.050 0.00 1.00 -ATOM 227 C3f TOP 1 1 21.490 26.232 13.400 0.00 1.00 -ATOM 228 C3g TOP 1 1 21.490 26.232 16.750 0.00 1.00 -ATOM 229 C3h TOP 1 1 20.262 28.359 10.050 0.00 1.00 -ATOM 230 C3i TOP 1 1 20.262 28.359 13.400 0.00 1.00 -ATOM 231 C3j TOP 1 1 20.262 28.359 16.750 0.00 1.00 -ATOM 232 C3k TOP 1 1 19.034 0.709 10.050 0.00 1.00 -ATOM 233 C3l TOP 1 1 19.034 0.709 13.400 0.00 1.00 -ATOM 234 C3m TOP 1 1 19.034 0.709 16.750 0.00 1.00 -ATOM 235 C3n TOP 1 1 17.806 2.836 10.050 0.00 1.00 -ATOM 236 C3o TOP 1 1 17.806 2.836 13.400 0.00 1.00 -ATOM 237 C3p TOP 1 1 17.806 2.836 16.750 0.00 1.00 -ATOM 238 C3q TOP 1 1 16.578 4.963 10.050 0.00 1.00 -ATOM 239 C3r TOP 1 1 16.578 4.963 13.400 0.00 1.00 -ATOM 240 C3s TOP 1 1 16.578 4.963 16.750 0.00 1.00 -ATOM 241 C3t TOP 1 1 15.350 7.090 10.050 0.00 1.00 -ATOM 242 C3u TOP 1 1 15.350 7.090 13.400 0.00 1.00 -ATOM 243 C3v TOP 1 1 15.350 7.090 16.750 0.00 1.00 -ATOM 244 C3w TOP 1 1 14.122 9.217 10.050 0.00 1.00 -ATOM 245 C3x TOP 1 1 14.122 9.217 13.400 0.00 1.00 -ATOM 246 C3y TOP 1 1 14.122 9.217 16.750 0.00 1.00 -ATOM 247 C3z TOP 1 1 12.894 11.344 10.050 0.00 1.00 -ATOM 248 C40 TOP 1 1 12.894 11.344 13.400 0.00 1.00 -ATOM 249 C41 TOP 1 1 12.894 11.344 16.750 0.00 1.00 -ATOM 250 C42 TOP 1 1 11.666 13.471 10.050 0.00 1.00 -ATOM 251 C43 TOP 1 1 11.666 13.471 13.400 0.00 1.00 -ATOM 252 C44 TOP 1 1 11.666 13.471 16.750 0.00 1.00 -ATOM 253 C45 TOP 1 1 0.614 15.597 10.050 0.00 1.00 -ATOM 254 C46 TOP 1 1 0.614 15.597 13.400 0.00 1.00 -ATOM 255 C47 TOP 1 1 0.614 15.597 16.750 0.00 1.00 -ATOM 256 C48 TOP 1 1 28.858 17.724 10.050 0.00 1.00 -ATOM 257 C49 TOP 1 1 28.858 17.724 13.400 0.00 1.00 -ATOM 258 C4A TOP 1 1 28.858 17.724 16.750 0.00 1.00 -ATOM 259 C4B TOP 1 1 27.630 19.851 10.050 0.00 1.00 -ATOM 260 C4C TOP 1 1 27.630 19.851 13.400 0.00 1.00 -ATOM 261 C4D TOP 1 1 27.630 19.851 16.750 0.00 1.00 -ATOM 262 C4E TOP 1 1 26.402 21.978 10.050 0.00 1.00 -ATOM 263 C4F TOP 1 1 26.402 21.978 13.400 0.00 1.00 -ATOM 264 C4G TOP 1 1 26.402 21.978 16.750 0.00 1.00 -ATOM 265 C4H TOP 1 1 25.174 24.105 10.050 0.00 1.00 -ATOM 266 C4I TOP 1 1 25.174 24.105 13.400 0.00 1.00 -ATOM 267 C4J TOP 1 1 25.174 24.105 16.750 0.00 1.00 -ATOM 268 C4K TOP 1 1 23.946 26.232 10.050 0.00 1.00 -ATOM 269 C4L TOP 1 1 23.946 26.232 13.400 0.00 1.00 -ATOM 270 C4M TOP 1 1 23.946 26.232 16.750 0.00 1.00 -ATOM 271 C4N TOP 1 1 22.718 28.359 10.050 0.00 1.00 -ATOM 272 C4O TOP 1 1 22.718 28.359 13.400 0.00 1.00 -ATOM 273 C4P TOP 1 1 22.718 28.359 16.750 0.00 1.00 -ATOM 274 C4Q TOP 1 1 21.490 0.709 10.050 0.00 1.00 -ATOM 275 C4R TOP 1 1 21.490 0.709 13.400 0.00 1.00 -ATOM 276 C4S TOP 1 1 21.490 0.709 16.750 0.00 1.00 -ATOM 277 C4T TOP 1 1 20.262 2.836 10.050 0.00 1.00 -ATOM 278 C4U TOP 1 1 20.262 2.836 13.400 0.00 1.00 -ATOM 279 C4V TOP 1 1 20.262 2.836 16.750 0.00 1.00 -ATOM 280 C4W TOP 1 1 19.034 4.963 10.050 0.00 1.00 -ATOM 281 C4X TOP 1 1 19.034 4.963 13.400 0.00 1.00 -ATOM 282 C4Y TOP 1 1 19.034 4.963 16.750 0.00 1.00 -ATOM 283 C4Z TOP 1 1 17.806 7.090 10.050 0.00 1.00 -ATOM 284 C4a TOP 1 1 17.806 7.090 13.400 0.00 1.00 -ATOM 285 C4b TOP 1 1 17.806 7.090 16.750 0.00 1.00 -ATOM 286 C4c TOP 1 1 16.578 9.217 10.050 0.00 1.00 -ATOM 287 C4d TOP 1 1 16.578 9.217 13.400 0.00 1.00 -ATOM 288 C4e TOP 1 1 16.578 9.217 16.750 0.00 1.00 -ATOM 289 C4f TOP 1 1 15.350 11.344 10.050 0.00 1.00 -ATOM 290 C4g TOP 1 1 15.350 11.344 13.400 0.00 1.00 -ATOM 291 C4h TOP 1 1 15.350 11.344 16.750 0.00 1.00 -ATOM 292 C4i TOP 1 1 14.122 13.471 10.050 0.00 1.00 -ATOM 293 C4j TOP 1 1 14.122 13.471 13.400 0.00 1.00 -ATOM 294 C4k TOP 1 1 14.122 13.471 16.750 0.00 1.00 -ATOM 295 C4l TOP 1 1 3.070 15.597 10.050 0.00 1.00 -ATOM 296 C4m TOP 1 1 3.070 15.597 13.400 0.00 1.00 -ATOM 297 C4n TOP 1 1 3.070 15.597 16.750 0.00 1.00 -ATOM 298 C4o TOP 1 1 1.842 17.724 10.050 0.00 1.00 -ATOM 299 C4p TOP 1 1 1.842 17.724 13.400 0.00 1.00 -ATOM 300 C4q TOP 1 1 1.842 17.724 16.750 0.00 1.00 -ATOM 301 C4r TOP 1 1 0.614 19.851 10.050 0.00 1.00 -ATOM 302 C4s TOP 1 1 0.614 19.851 13.400 0.00 1.00 -ATOM 303 C4t TOP 1 1 0.614 19.851 16.750 0.00 1.00 -ATOM 304 C4u TOP 1 1 28.858 21.978 10.050 0.00 1.00 -ATOM 305 C4v TOP 1 1 28.858 21.978 13.400 0.00 1.00 -ATOM 306 C4w TOP 1 1 28.858 21.978 16.750 0.00 1.00 -ATOM 307 C4x TOP 1 1 27.630 24.105 10.050 0.00 1.00 -ATOM 308 C4y TOP 1 1 27.630 24.105 13.400 0.00 1.00 -ATOM 309 C4z TOP 1 1 27.630 24.105 16.750 0.00 1.00 -ATOM 310 C50 TOP 1 1 26.402 26.232 10.050 0.00 1.00 -ATOM 311 C51 TOP 1 1 26.402 26.232 13.400 0.00 1.00 -ATOM 312 C52 TOP 1 1 26.402 26.232 16.750 0.00 1.00 -ATOM 313 C53 TOP 1 1 25.174 28.359 10.050 0.00 1.00 -ATOM 314 C54 TOP 1 1 25.174 28.359 13.400 0.00 1.00 -ATOM 315 C55 TOP 1 1 25.174 28.359 16.750 0.00 1.00 -ATOM 316 C56 TOP 1 1 23.946 0.709 10.050 0.00 1.00 -ATOM 317 C57 TOP 1 1 23.946 0.709 13.400 0.00 1.00 -ATOM 318 C58 TOP 1 1 23.946 0.709 16.750 0.00 1.00 -ATOM 319 C59 TOP 1 1 22.718 2.836 10.050 0.00 1.00 -ATOM 320 C5A TOP 1 1 22.718 2.836 13.400 0.00 1.00 -ATOM 321 C5B TOP 1 1 22.718 2.836 16.750 0.00 1.00 -ATOM 322 C5C TOP 1 1 21.490 4.963 10.050 0.00 1.00 -ATOM 323 C5D TOP 1 1 21.490 4.963 13.400 0.00 1.00 -ATOM 324 C5E TOP 1 1 21.490 4.963 16.750 0.00 1.00 -ATOM 325 C5F TOP 1 1 20.262 7.090 10.050 0.00 1.00 -ATOM 326 C5G TOP 1 1 20.262 7.090 13.400 0.00 1.00 -ATOM 327 C5H TOP 1 1 20.262 7.090 16.750 0.00 1.00 -ATOM 328 C5I TOP 1 1 19.034 9.217 10.050 0.00 1.00 -ATOM 329 C5J TOP 1 1 19.034 9.217 13.400 0.00 1.00 -ATOM 330 C5K TOP 1 1 19.034 9.217 16.750 0.00 1.00 -ATOM 331 C5L TOP 1 1 17.806 11.344 10.050 0.00 1.00 -ATOM 332 C5M TOP 1 1 17.806 11.344 13.400 0.00 1.00 -ATOM 333 C5N TOP 1 1 17.806 11.344 16.750 0.00 1.00 -ATOM 334 C5O TOP 1 1 16.578 13.471 10.050 0.00 1.00 -ATOM 335 C5P TOP 1 1 16.578 13.471 13.400 0.00 1.00 -ATOM 336 C5Q TOP 1 1 16.578 13.471 16.750 0.00 1.00 -ATOM 337 C5R TOP 1 1 5.526 15.597 10.050 0.00 1.00 -ATOM 338 C5S TOP 1 1 5.526 15.597 13.400 0.00 1.00 -ATOM 339 C5T TOP 1 1 5.526 15.597 16.750 0.00 1.00 -ATOM 340 C5U TOP 1 1 4.298 17.724 10.050 0.00 1.00 -ATOM 341 C5V TOP 1 1 4.298 17.724 13.400 0.00 1.00 -ATOM 342 C5W TOP 1 1 4.298 17.724 16.750 0.00 1.00 -ATOM 343 C5X TOP 1 1 3.070 19.851 10.050 0.00 1.00 -ATOM 344 C5Y TOP 1 1 3.070 19.851 13.400 0.00 1.00 -ATOM 345 C5Z TOP 1 1 3.070 19.851 16.750 0.00 1.00 -ATOM 346 C5a TOP 1 1 1.842 21.978 10.050 0.00 1.00 -ATOM 347 C5b TOP 1 1 1.842 21.978 13.400 0.00 1.00 -ATOM 348 C5c TOP 1 1 1.842 21.978 16.750 0.00 1.00 -ATOM 349 C5d TOP 1 1 0.614 24.105 10.050 0.00 1.00 -ATOM 350 C5e TOP 1 1 0.614 24.105 13.400 0.00 1.00 -ATOM 351 C5f TOP 1 1 0.614 24.105 16.750 0.00 1.00 -ATOM 352 C5g TOP 1 1 28.858 26.232 10.050 0.00 1.00 -ATOM 353 C5h TOP 1 1 28.858 26.232 13.400 0.00 1.00 -ATOM 354 C5i TOP 1 1 28.858 26.232 16.750 0.00 1.00 -ATOM 355 C5j TOP 1 1 27.630 28.359 10.050 0.00 1.00 -ATOM 356 C5k TOP 1 1 27.630 28.359 13.400 0.00 1.00 -ATOM 357 C5l TOP 1 1 27.630 28.359 16.750 0.00 1.00 -ATOM 358 C5m TOP 1 1 26.402 0.709 10.050 0.00 1.00 -ATOM 359 C5n TOP 1 1 26.402 0.709 13.400 0.00 1.00 -ATOM 360 C5o TOP 1 1 26.402 0.709 16.750 0.00 1.00 -ATOM 361 C5p TOP 1 1 25.174 2.836 10.050 0.00 1.00 -ATOM 362 C5q TOP 1 1 25.174 2.836 13.400 0.00 1.00 -ATOM 363 C5r TOP 1 1 25.174 2.836 16.750 0.00 1.00 -ATOM 364 C5s TOP 1 1 23.946 4.963 10.050 0.00 1.00 -ATOM 365 C5t TOP 1 1 23.946 4.963 13.400 0.00 1.00 -ATOM 366 C5u TOP 1 1 23.946 4.963 16.750 0.00 1.00 -ATOM 367 C5v TOP 1 1 22.718 7.090 10.050 0.00 1.00 -ATOM 368 C5w TOP 1 1 22.718 7.090 13.400 0.00 1.00 -ATOM 369 C5x TOP 1 1 22.718 7.090 16.750 0.00 1.00 -ATOM 370 C5y TOP 1 1 21.490 9.217 10.050 0.00 1.00 -ATOM 371 C5z TOP 1 1 21.490 9.217 13.400 0.00 1.00 -ATOM 372 C60 TOP 1 1 21.490 9.217 16.750 0.00 1.00 -ATOM 373 C61 TOP 1 1 20.262 11.344 10.050 0.00 1.00 -ATOM 374 C62 TOP 1 1 20.262 11.344 13.400 0.00 1.00 -ATOM 375 C63 TOP 1 1 20.262 11.344 16.750 0.00 1.00 -ATOM 376 C64 TOP 1 1 19.034 13.471 10.050 0.00 1.00 -ATOM 377 C65 TOP 1 1 19.034 13.471 13.400 0.00 1.00 -ATOM 378 C66 TOP 1 1 19.034 13.471 16.750 0.00 1.00 -ATOM 379 C67 TOP 1 1 7.982 15.597 10.050 0.00 1.00 -ATOM 380 C68 TOP 1 1 7.982 15.597 13.400 0.00 1.00 -ATOM 381 C69 TOP 1 1 7.982 15.597 16.750 0.00 1.00 -ATOM 382 C6A TOP 1 1 6.754 17.724 10.050 0.00 1.00 -ATOM 383 C6B TOP 1 1 6.754 17.724 13.400 0.00 1.00 -ATOM 384 C6C TOP 1 1 6.754 17.724 16.750 0.00 1.00 -ATOM 385 C6D TOP 1 1 5.526 19.851 10.050 0.00 1.00 -ATOM 386 C6E TOP 1 1 5.526 19.851 13.400 0.00 1.00 -ATOM 387 C6F TOP 1 1 5.526 19.851 16.750 0.00 1.00 -ATOM 388 C6G TOP 1 1 4.298 21.978 10.050 0.00 1.00 -ATOM 389 C6H TOP 1 1 4.298 21.978 13.400 0.00 1.00 -ATOM 390 C6I TOP 1 1 4.298 21.978 16.750 0.00 1.00 -ATOM 391 C6J TOP 1 1 3.070 24.105 10.050 0.00 1.00 -ATOM 392 C6K TOP 1 1 3.070 24.105 13.400 0.00 1.00 -ATOM 393 C6L TOP 1 1 3.070 24.105 16.750 0.00 1.00 -ATOM 394 C6M TOP 1 1 1.842 26.232 10.050 0.00 1.00 -ATOM 395 C6N TOP 1 1 1.842 26.232 13.400 0.00 1.00 -ATOM 396 C6O TOP 1 1 1.842 26.232 16.750 0.00 1.00 -ATOM 397 C6P TOP 1 1 0.614 28.359 10.050 0.00 1.00 -ATOM 398 C6Q TOP 1 1 0.614 28.359 13.400 0.00 1.00 -ATOM 399 C6R TOP 1 1 0.614 28.359 16.750 0.00 1.00 -ATOM 400 C6S TOP 1 1 28.858 0.709 10.050 0.00 1.00 -ATOM 401 C6T TOP 1 1 28.858 0.709 13.400 0.00 1.00 -ATOM 402 C6U TOP 1 1 28.858 0.709 16.750 0.00 1.00 -ATOM 403 C6V TOP 1 1 27.630 2.836 10.050 0.00 1.00 -ATOM 404 C6W TOP 1 1 27.630 2.836 13.400 0.00 1.00 -ATOM 405 C6X TOP 1 1 27.630 2.836 16.750 0.00 1.00 -ATOM 406 C6Y TOP 1 1 26.402 4.963 10.050 0.00 1.00 -ATOM 407 C6Z TOP 1 1 26.402 4.963 13.400 0.00 1.00 -ATOM 408 C6a TOP 1 1 26.402 4.963 16.750 0.00 1.00 -ATOM 409 C6b TOP 1 1 25.174 7.090 10.050 0.00 1.00 -ATOM 410 C6c TOP 1 1 25.174 7.090 13.400 0.00 1.00 -ATOM 411 C6d TOP 1 1 25.174 7.090 16.750 0.00 1.00 -ATOM 412 C6e TOP 1 1 23.946 9.217 10.050 0.00 1.00 -ATOM 413 C6f TOP 1 1 23.946 9.217 13.400 0.00 1.00 -ATOM 414 C6g TOP 1 1 23.946 9.217 16.750 0.00 1.00 -ATOM 415 C6h TOP 1 1 22.718 11.344 10.050 0.00 1.00 -ATOM 416 C6i TOP 1 1 22.718 11.344 13.400 0.00 1.00 -ATOM 417 C6j TOP 1 1 22.718 11.344 16.750 0.00 1.00 -ATOM 418 C6k TOP 1 1 21.490 13.471 10.050 0.00 1.00 -ATOM 419 C6l TOP 1 1 21.490 13.471 13.400 0.00 1.00 -ATOM 420 C6m TOP 1 1 21.490 13.471 16.750 0.00 1.00 -ATOM 421 C6n TOP 1 1 10.438 15.597 10.050 0.00 1.00 -ATOM 422 C6o TOP 1 1 10.438 15.597 13.400 0.00 1.00 -ATOM 423 C6p TOP 1 1 10.438 15.597 16.750 0.00 1.00 -ATOM 424 C6q TOP 1 1 9.210 17.724 10.050 0.00 1.00 -ATOM 425 C6r TOP 1 1 9.210 17.724 13.400 0.00 1.00 -ATOM 426 C6s TOP 1 1 9.210 17.724 16.750 0.00 1.00 -ATOM 427 C6t TOP 1 1 7.982 19.851 10.050 0.00 1.00 -ATOM 428 C6u TOP 1 1 7.982 19.851 13.400 0.00 1.00 -ATOM 429 C6v TOP 1 1 7.982 19.851 16.750 0.00 1.00 -ATOM 430 C6w TOP 1 1 6.754 21.978 10.050 0.00 1.00 -ATOM 431 C6x TOP 1 1 6.754 21.978 13.400 0.00 1.00 -ATOM 432 C6y TOP 1 1 6.754 21.978 16.750 0.00 1.00 -ATOM 433 C6z TOP 1 1 5.526 24.105 10.050 0.00 1.00 -ATOM 434 C70 TOP 1 1 5.526 24.105 13.400 0.00 1.00 -ATOM 435 C71 TOP 1 1 5.526 24.105 16.750 0.00 1.00 -ATOM 436 C72 TOP 1 1 4.298 26.232 10.050 0.00 1.00 -ATOM 437 C73 TOP 1 1 4.298 26.232 13.400 0.00 1.00 -ATOM 438 C74 TOP 1 1 4.298 26.232 16.750 0.00 1.00 -ATOM 439 C75 TOP 1 1 3.070 28.359 10.050 0.00 1.00 -ATOM 440 C76 TOP 1 1 3.070 28.359 13.400 0.00 1.00 -ATOM 441 C77 TOP 1 1 3.070 28.359 16.750 0.00 1.00 -ATOM 442 C78 TOP 1 1 1.842 0.709 10.050 0.00 1.00 -ATOM 443 C79 TOP 1 1 1.842 0.709 13.400 0.00 1.00 -ATOM 444 C7A TOP 1 1 1.842 0.709 16.750 0.00 1.00 -ATOM 445 C7B TOP 1 1 0.614 2.836 10.050 0.00 1.00 -ATOM 446 C7C TOP 1 1 0.614 2.836 13.400 0.00 1.00 -ATOM 447 C7D TOP 1 1 0.614 2.836 16.750 0.00 1.00 -ATOM 448 C7E TOP 1 1 28.858 4.963 10.050 0.00 1.00 -ATOM 449 C7F TOP 1 1 28.858 4.963 13.400 0.00 1.00 -ATOM 450 C7G TOP 1 1 28.858 4.963 16.750 0.00 1.00 -ATOM 451 C7H TOP 1 1 27.630 7.090 10.050 0.00 1.00 -ATOM 452 C7I TOP 1 1 27.630 7.090 13.400 0.00 1.00 -ATOM 453 C7J TOP 1 1 27.630 7.090 16.750 0.00 1.00 -ATOM 454 C7K TOP 1 1 26.402 9.217 10.050 0.00 1.00 -ATOM 455 C7L TOP 1 1 26.402 9.217 13.400 0.00 1.00 -ATOM 456 C7M TOP 1 1 26.402 9.217 16.750 0.00 1.00 -ATOM 457 C7N TOP 1 1 25.174 11.344 10.050 0.00 1.00 -ATOM 458 C7O TOP 1 1 25.174 11.344 13.400 0.00 1.00 -ATOM 459 C7P TOP 1 1 25.174 11.344 16.750 0.00 1.00 -ATOM 460 C7Q TOP 1 1 23.946 13.471 10.050 0.00 1.00 -ATOM 461 C7R TOP 1 1 23.946 13.471 13.400 0.00 1.00 -ATOM 462 C7S TOP 1 1 23.946 13.471 16.750 0.00 1.00 -ATOM 463 C7T TOP 1 1 12.894 15.597 10.050 0.00 1.00 -ATOM 464 C7U TOP 1 1 12.894 15.597 13.400 0.00 1.00 -ATOM 465 C7V TOP 1 1 12.894 15.597 16.750 0.00 1.00 -ATOM 466 C7W TOP 1 1 11.666 17.724 10.050 0.00 1.00 -ATOM 467 C7X TOP 1 1 11.666 17.724 13.400 0.00 1.00 -ATOM 468 C7Y TOP 1 1 11.666 17.724 16.750 0.00 1.00 -ATOM 469 C7Z TOP 1 1 10.438 19.851 10.050 0.00 1.00 -ATOM 470 C7a TOP 1 1 10.438 19.851 13.400 0.00 1.00 -ATOM 471 C7b TOP 1 1 10.438 19.851 16.750 0.00 1.00 -ATOM 472 C7c TOP 1 1 9.210 21.978 10.050 0.00 1.00 -ATOM 473 C7d TOP 1 1 9.210 21.978 13.400 0.00 1.00 -ATOM 474 C7e TOP 1 1 9.210 21.978 16.750 0.00 1.00 -ATOM 475 C7f TOP 1 1 7.982 24.105 10.050 0.00 1.00 -ATOM 476 C7g TOP 1 1 7.982 24.105 13.400 0.00 1.00 -ATOM 477 C7h TOP 1 1 7.982 24.105 16.750 0.00 1.00 -ATOM 478 C7i TOP 1 1 6.754 26.232 10.050 0.00 1.00 -ATOM 479 C7j TOP 1 1 6.754 26.232 13.400 0.00 1.00 -ATOM 480 C7k TOP 1 1 6.754 26.232 16.750 0.00 1.00 -ATOM 481 C7l TOP 1 1 5.526 28.359 10.050 0.00 1.00 -ATOM 482 C7m TOP 1 1 5.526 28.359 13.400 0.00 1.00 -ATOM 483 C7n TOP 1 1 5.526 28.359 16.750 0.00 1.00 -ATOM 484 C7o TOP 1 1 4.298 0.709 10.050 0.00 1.00 -ATOM 485 C7p TOP 1 1 4.298 0.709 13.400 0.00 1.00 -ATOM 486 C7q TOP 1 1 4.298 0.709 16.750 0.00 1.00 -ATOM 487 C7r TOP 1 1 3.070 2.836 10.050 0.00 1.00 -ATOM 488 C7s TOP 1 1 3.070 2.836 13.400 0.00 1.00 -ATOM 489 C7t TOP 1 1 3.070 2.836 16.750 0.00 1.00 -ATOM 490 C7u TOP 1 1 1.842 4.963 10.050 0.00 1.00 -ATOM 491 C7v TOP 1 1 1.842 4.963 13.400 0.00 1.00 -ATOM 492 C7w TOP 1 1 1.842 4.963 16.750 0.00 1.00 -ATOM 493 C7x TOP 1 1 0.614 7.090 10.050 0.00 1.00 -ATOM 494 C7y TOP 1 1 0.614 7.090 13.400 0.00 1.00 -ATOM 495 C7z TOP 1 1 0.614 7.090 16.750 0.00 1.00 -ATOM 496 C80 TOP 1 1 28.858 9.217 10.050 0.00 1.00 -ATOM 497 C81 TOP 1 1 28.858 9.217 13.400 0.00 1.00 -ATOM 498 C82 TOP 1 1 28.858 9.217 16.750 0.00 1.00 -ATOM 499 C83 TOP 1 1 27.630 11.344 10.050 0.00 1.00 -ATOM 500 C84 TOP 1 1 27.630 11.344 13.400 0.00 1.00 -ATOM 501 C85 TOP 1 1 27.630 11.344 16.750 0.00 1.00 -ATOM 502 C86 TOP 1 1 26.402 13.471 10.050 0.00 1.00 -ATOM 503 C87 TOP 1 1 26.402 13.471 13.400 0.00 1.00 -ATOM 504 C88 TOP 1 1 26.402 13.471 16.750 0.00 1.00 -ATOM 505 C89 TOP 1 1 16.578 16.306 10.050 0.00 1.00 -ATOM 506 C8A TOP 1 1 16.578 16.306 13.400 0.00 1.00 -ATOM 507 C8B TOP 1 1 16.578 16.306 16.750 0.00 1.00 -ATOM 508 C8C TOP 1 1 15.350 18.433 10.050 0.00 1.00 -ATOM 509 C8D TOP 1 1 15.350 18.433 13.400 0.00 1.00 -ATOM 510 C8E TOP 1 1 15.350 18.433 16.750 0.00 1.00 -ATOM 511 C8F TOP 1 1 14.122 20.560 10.050 0.00 1.00 -ATOM 512 C8G TOP 1 1 14.122 20.560 13.400 0.00 1.00 -ATOM 513 C8H TOP 1 1 14.122 20.560 16.750 0.00 1.00 -ATOM 514 C8I TOP 1 1 12.894 22.687 10.050 0.00 1.00 -ATOM 515 C8J TOP 1 1 12.894 22.687 13.400 0.00 1.00 -ATOM 516 C8K TOP 1 1 12.894 22.687 16.750 0.00 1.00 -ATOM 517 C8L TOP 1 1 11.666 24.814 10.050 0.00 1.00 -ATOM 518 C8M TOP 1 1 11.666 24.814 13.400 0.00 1.00 -ATOM 519 C8N TOP 1 1 11.666 24.814 16.750 0.00 1.00 -ATOM 520 C8O TOP 1 1 10.438 26.941 10.050 0.00 1.00 -ATOM 521 C8P TOP 1 1 10.438 26.941 13.400 0.00 1.00 -ATOM 522 C8Q TOP 1 1 10.438 26.941 16.750 0.00 1.00 -ATOM 523 C8R TOP 1 1 9.210 29.068 10.050 0.00 1.00 -ATOM 524 C8S TOP 1 1 9.210 29.068 13.400 0.00 1.00 -ATOM 525 C8T TOP 1 1 9.210 29.068 16.750 0.00 1.00 -ATOM 526 C8U TOP 1 1 7.982 1.418 10.050 0.00 1.00 -ATOM 527 C8V TOP 1 1 7.982 1.418 13.400 0.00 1.00 -ATOM 528 C8W TOP 1 1 7.982 1.418 16.750 0.00 1.00 -ATOM 529 C8X TOP 1 1 6.754 3.545 10.050 0.00 1.00 -ATOM 530 C8Y TOP 1 1 6.754 3.545 13.400 0.00 1.00 -ATOM 531 C8Z TOP 1 1 6.754 3.545 16.750 0.00 1.00 -ATOM 532 C8a TOP 1 1 5.526 5.672 10.050 0.00 1.00 -ATOM 533 C8b TOP 1 1 5.526 5.672 13.400 0.00 1.00 -ATOM 534 C8c TOP 1 1 5.526 5.672 16.750 0.00 1.00 -ATOM 535 C8d TOP 1 1 4.298 7.799 10.050 0.00 1.00 -ATOM 536 C8e TOP 1 1 4.298 7.799 13.400 0.00 1.00 -ATOM 537 C8f TOP 1 1 4.298 7.799 16.750 0.00 1.00 -ATOM 538 C8g TOP 1 1 3.070 9.926 10.050 0.00 1.00 -ATOM 539 C8h TOP 1 1 3.070 9.926 13.400 0.00 1.00 -ATOM 540 C8i TOP 1 1 3.070 9.926 16.750 0.00 1.00 -ATOM 541 C8j TOP 1 1 1.842 12.053 10.050 0.00 1.00 -ATOM 542 C8k TOP 1 1 1.842 12.053 13.400 0.00 1.00 -ATOM 543 C8l TOP 1 1 1.842 12.053 16.750 0.00 1.00 -ATOM 544 C8m TOP 1 1 0.614 14.180 10.050 0.00 1.00 -ATOM 545 C8n TOP 1 1 0.614 14.180 13.400 0.00 1.00 -ATOM 546 C8o TOP 1 1 0.614 14.180 16.750 0.00 1.00 -ATOM 547 C8p TOP 1 1 19.034 16.306 10.050 0.00 1.00 -ATOM 548 C8q TOP 1 1 19.034 16.306 13.400 0.00 1.00 -ATOM 549 C8r TOP 1 1 19.034 16.306 16.750 0.00 1.00 -ATOM 550 C8s TOP 1 1 17.806 18.433 10.050 0.00 1.00 -ATOM 551 C8t TOP 1 1 17.806 18.433 13.400 0.00 1.00 -ATOM 552 C8u TOP 1 1 17.806 18.433 16.750 0.00 1.00 -ATOM 553 C8v TOP 1 1 16.578 20.560 10.050 0.00 1.00 -ATOM 554 C8w TOP 1 1 16.578 20.560 13.400 0.00 1.00 -ATOM 555 C8x TOP 1 1 16.578 20.560 16.750 0.00 1.00 -ATOM 556 C8y TOP 1 1 15.350 22.687 10.050 0.00 1.00 -ATOM 557 C8z TOP 1 1 15.350 22.687 13.400 0.00 1.00 -ATOM 558 C90 TOP 1 1 15.350 22.687 16.750 0.00 1.00 -ATOM 559 C91 TOP 1 1 14.122 24.814 10.050 0.00 1.00 -ATOM 560 C92 TOP 1 1 14.122 24.814 13.400 0.00 1.00 -ATOM 561 C93 TOP 1 1 14.122 24.814 16.750 0.00 1.00 -ATOM 562 C94 TOP 1 1 12.894 26.941 10.050 0.00 1.00 -ATOM 563 C95 TOP 1 1 12.894 26.941 13.400 0.00 1.00 -ATOM 564 C96 TOP 1 1 12.894 26.941 16.750 0.00 1.00 -ATOM 565 C97 TOP 1 1 11.666 29.068 10.050 0.00 1.00 -ATOM 566 C98 TOP 1 1 11.666 29.068 13.400 0.00 1.00 -ATOM 567 C99 TOP 1 1 11.666 29.068 16.750 0.00 1.00 -ATOM 568 C9A TOP 1 1 10.438 1.418 10.050 0.00 1.00 -ATOM 569 C9B TOP 1 1 10.438 1.418 13.400 0.00 1.00 -ATOM 570 C9C TOP 1 1 10.438 1.418 16.750 0.00 1.00 -ATOM 571 C9D TOP 1 1 9.210 3.545 10.050 0.00 1.00 -ATOM 572 C9E TOP 1 1 9.210 3.545 13.400 0.00 1.00 -ATOM 573 C9F TOP 1 1 9.210 3.545 16.750 0.00 1.00 -ATOM 574 C9G TOP 1 1 7.982 5.672 10.050 0.00 1.00 -ATOM 575 C9H TOP 1 1 7.982 5.672 13.400 0.00 1.00 -ATOM 576 C9I TOP 1 1 7.982 5.672 16.750 0.00 1.00 -ATOM 577 C9J TOP 1 1 6.754 7.799 10.050 0.00 1.00 -ATOM 578 C9K TOP 1 1 6.754 7.799 13.400 0.00 1.00 -ATOM 579 C9L TOP 1 1 6.754 7.799 16.750 0.00 1.00 -ATOM 580 C9M TOP 1 1 5.526 9.926 10.050 0.00 1.00 -ATOM 581 C9N TOP 1 1 5.526 9.926 13.400 0.00 1.00 -ATOM 582 C9O TOP 1 1 5.526 9.926 16.750 0.00 1.00 -ATOM 583 C9P TOP 1 1 4.298 12.053 10.050 0.00 1.00 -ATOM 584 C9Q TOP 1 1 4.298 12.053 13.400 0.00 1.00 -ATOM 585 C9R TOP 1 1 4.298 12.053 16.750 0.00 1.00 -ATOM 586 C9S TOP 1 1 3.070 14.180 10.050 0.00 1.00 -ATOM 587 C9T TOP 1 1 3.070 14.180 13.400 0.00 1.00 -ATOM 588 C9U TOP 1 1 3.070 14.180 16.750 0.00 1.00 -ATOM 589 C9V TOP 1 1 21.490 16.306 10.050 0.00 1.00 -ATOM 590 C9W TOP 1 1 21.490 16.306 13.400 0.00 1.00 -ATOM 591 C9X TOP 1 1 21.490 16.306 16.750 0.00 1.00 -ATOM 592 C9Y TOP 1 1 20.262 18.433 10.050 0.00 1.00 -ATOM 593 C9Z TOP 1 1 20.262 18.433 13.400 0.00 1.00 -ATOM 594 C9a TOP 1 1 20.262 18.433 16.750 0.00 1.00 -ATOM 595 C9b TOP 1 1 19.034 20.560 10.050 0.00 1.00 -ATOM 596 C9c TOP 1 1 19.034 20.560 13.400 0.00 1.00 -ATOM 597 C9d TOP 1 1 19.034 20.560 16.750 0.00 1.00 -ATOM 598 C9e TOP 1 1 17.806 22.687 10.050 0.00 1.00 -ATOM 599 C9f TOP 1 1 17.806 22.687 13.400 0.00 1.00 -ATOM 600 C9g TOP 1 1 17.806 22.687 16.750 0.00 1.00 -ATOM 601 C9h TOP 1 1 16.578 24.814 10.050 0.00 1.00 -ATOM 602 C9i TOP 1 1 16.578 24.814 13.400 0.00 1.00 -ATOM 603 C9j TOP 1 1 16.578 24.814 16.750 0.00 1.00 -ATOM 604 C9k TOP 1 1 15.350 26.941 10.050 0.00 1.00 -ATOM 605 C9l TOP 1 1 15.350 26.941 13.400 0.00 1.00 -ATOM 606 C9m TOP 1 1 15.350 26.941 16.750 0.00 1.00 -ATOM 607 C9n TOP 1 1 14.122 29.068 10.050 0.00 1.00 -ATOM 608 C9o TOP 1 1 14.122 29.068 13.400 0.00 1.00 -ATOM 609 C9p TOP 1 1 14.122 29.068 16.750 0.00 1.00 -ATOM 610 C9q TOP 1 1 12.894 1.418 10.050 0.00 1.00 -ATOM 611 C9r TOP 1 1 12.894 1.418 13.400 0.00 1.00 -ATOM 612 C9s TOP 1 1 12.894 1.418 16.750 0.00 1.00 -ATOM 613 C9t TOP 1 1 11.666 3.545 10.050 0.00 1.00 -ATOM 614 C9u TOP 1 1 11.666 3.545 13.400 0.00 1.00 -ATOM 615 C9v TOP 1 1 11.666 3.545 16.750 0.00 1.00 -ATOM 616 C9w TOP 1 1 10.438 5.672 10.050 0.00 1.00 -ATOM 617 C9x TOP 1 1 10.438 5.672 13.400 0.00 1.00 -ATOM 618 C9y TOP 1 1 10.438 5.672 16.750 0.00 1.00 -ATOM 619 C9z TOP 1 1 9.210 7.799 10.050 0.00 1.00 -ATOM 620 CA0 TOP 1 1 9.210 7.799 13.400 0.00 1.00 -ATOM 621 CA1 TOP 1 1 9.210 7.799 16.750 0.00 1.00 -ATOM 622 CA2 TOP 1 1 7.982 9.926 10.050 0.00 1.00 -ATOM 623 CA3 TOP 1 1 7.982 9.926 13.400 0.00 1.00 -ATOM 624 CA4 TOP 1 1 7.982 9.926 16.750 0.00 1.00 -ATOM 625 CA5 TOP 1 1 6.754 12.053 10.050 0.00 1.00 -ATOM 626 CA6 TOP 1 1 6.754 12.053 13.400 0.00 1.00 -ATOM 627 CA7 TOP 1 1 6.754 12.053 16.750 0.00 1.00 -ATOM 628 CA8 TOP 1 1 5.526 14.180 10.050 0.00 1.00 -ATOM 629 CA9 TOP 1 1 5.526 14.180 13.400 0.00 1.00 -ATOM 630 CAA TOP 1 1 5.526 14.180 16.750 0.00 1.00 -ATOM 631 CAB TOP 1 1 23.946 16.306 10.050 0.00 1.00 -ATOM 632 CAC TOP 1 1 23.946 16.306 13.400 0.00 1.00 -ATOM 633 CAD TOP 1 1 23.946 16.306 16.750 0.00 1.00 -ATOM 634 CAE TOP 1 1 22.718 18.433 10.050 0.00 1.00 -ATOM 635 CAF TOP 1 1 22.718 18.433 13.400 0.00 1.00 -ATOM 636 CAG TOP 1 1 22.718 18.433 16.750 0.00 1.00 -ATOM 637 CAH TOP 1 1 21.490 20.560 10.050 0.00 1.00 -ATOM 638 CAI TOP 1 1 21.490 20.560 13.400 0.00 1.00 -ATOM 639 CAJ TOP 1 1 21.490 20.560 16.750 0.00 1.00 -ATOM 640 CAK TOP 1 1 20.262 22.687 10.050 0.00 1.00 -ATOM 641 CAL TOP 1 1 20.262 22.687 13.400 0.00 1.00 -ATOM 642 CAM TOP 1 1 20.262 22.687 16.750 0.00 1.00 -ATOM 643 CAN TOP 1 1 19.034 24.814 10.050 0.00 1.00 -ATOM 644 CAO TOP 1 1 19.034 24.814 13.400 0.00 1.00 -ATOM 645 CAP TOP 1 1 19.034 24.814 16.750 0.00 1.00 -ATOM 646 CAQ TOP 1 1 17.806 26.941 10.050 0.00 1.00 -ATOM 647 CAR TOP 1 1 17.806 26.941 13.400 0.00 1.00 -ATOM 648 CAS TOP 1 1 17.806 26.941 16.750 0.00 1.00 -ATOM 649 CAT TOP 1 1 16.578 29.068 10.050 0.00 1.00 -ATOM 650 CAU TOP 1 1 16.578 29.068 13.400 0.00 1.00 -ATOM 651 CAV TOP 1 1 16.578 29.068 16.750 0.00 1.00 -ATOM 652 CAW TOP 1 1 15.350 1.418 10.050 0.00 1.00 -ATOM 653 CAX TOP 1 1 15.350 1.418 13.400 0.00 1.00 -ATOM 654 CAY TOP 1 1 15.350 1.418 16.750 0.00 1.00 -ATOM 655 CAZ TOP 1 1 14.122 3.545 10.050 0.00 1.00 -ATOM 656 CAa TOP 1 1 14.122 3.545 13.400 0.00 1.00 -ATOM 657 CAb TOP 1 1 14.122 3.545 16.750 0.00 1.00 -ATOM 658 CAc TOP 1 1 12.894 5.672 10.050 0.00 1.00 -ATOM 659 CAd TOP 1 1 12.894 5.672 13.400 0.00 1.00 -ATOM 660 CAe TOP 1 1 12.894 5.672 16.750 0.00 1.00 -ATOM 661 CAf TOP 1 1 11.666 7.799 10.050 0.00 1.00 -ATOM 662 CAg TOP 1 1 11.666 7.799 13.400 0.00 1.00 -ATOM 663 CAh TOP 1 1 11.666 7.799 16.750 0.00 1.00 -ATOM 664 CAi TOP 1 1 10.438 9.926 10.050 0.00 1.00 -ATOM 665 CAj TOP 1 1 10.438 9.926 13.400 0.00 1.00 -ATOM 666 CAk TOP 1 1 10.438 9.926 16.750 0.00 1.00 -ATOM 667 CAl TOP 1 1 9.210 12.053 10.050 0.00 1.00 -ATOM 668 CAm TOP 1 1 9.210 12.053 13.400 0.00 1.00 -ATOM 669 CAn TOP 1 1 9.210 12.053 16.750 0.00 1.00 -ATOM 670 CAo TOP 1 1 7.982 14.180 10.050 0.00 1.00 -ATOM 671 CAp TOP 1 1 7.982 14.180 13.400 0.00 1.00 -ATOM 672 CAq TOP 1 1 7.982 14.180 16.750 0.00 1.00 -ATOM 673 CAr TOP 1 1 26.402 16.306 10.050 0.00 1.00 -ATOM 674 CAs TOP 1 1 26.402 16.306 13.400 0.00 1.00 -ATOM 675 CAt TOP 1 1 26.402 16.306 16.750 0.00 1.00 -ATOM 676 CAu TOP 1 1 25.174 18.433 10.050 0.00 1.00 -ATOM 677 CAv TOP 1 1 25.174 18.433 13.400 0.00 1.00 -ATOM 678 CAw TOP 1 1 25.174 18.433 16.750 0.00 1.00 -ATOM 679 CAx TOP 1 1 23.946 20.560 10.050 0.00 1.00 -ATOM 680 CAy TOP 1 1 23.946 20.560 13.400 0.00 1.00 -ATOM 681 CAz TOP 1 1 23.946 20.560 16.750 0.00 1.00 -ATOM 682 CB0 TOP 1 1 22.718 22.687 10.050 0.00 1.00 -ATOM 683 CB1 TOP 1 1 22.718 22.687 13.400 0.00 1.00 -ATOM 684 CB2 TOP 1 1 22.718 22.687 16.750 0.00 1.00 -ATOM 685 CB3 TOP 1 1 21.490 24.814 10.050 0.00 1.00 -ATOM 686 CB4 TOP 1 1 21.490 24.814 13.400 0.00 1.00 -ATOM 687 CB5 TOP 1 1 21.490 24.814 16.750 0.00 1.00 -ATOM 688 CB6 TOP 1 1 20.262 26.941 10.050 0.00 1.00 -ATOM 689 CB7 TOP 1 1 20.262 26.941 13.400 0.00 1.00 -ATOM 690 CB8 TOP 1 1 20.262 26.941 16.750 0.00 1.00 -ATOM 691 CB9 TOP 1 1 19.034 29.068 10.050 0.00 1.00 -ATOM 692 CBA TOP 1 1 19.034 29.068 13.400 0.00 1.00 -ATOM 693 CBB TOP 1 1 19.034 29.068 16.750 0.00 1.00 -ATOM 694 CBC TOP 1 1 17.806 1.418 10.050 0.00 1.00 -ATOM 695 CBD TOP 1 1 17.806 1.418 13.400 0.00 1.00 -ATOM 696 CBE TOP 1 1 17.806 1.418 16.750 0.00 1.00 -ATOM 697 CBF TOP 1 1 16.578 3.545 10.050 0.00 1.00 -ATOM 698 CBG TOP 1 1 16.578 3.545 13.400 0.00 1.00 -ATOM 699 CBH TOP 1 1 16.578 3.545 16.750 0.00 1.00 -ATOM 700 CBI TOP 1 1 15.350 5.672 10.050 0.00 1.00 -ATOM 701 CBJ TOP 1 1 15.350 5.672 13.400 0.00 1.00 -ATOM 702 CBK TOP 1 1 15.350 5.672 16.750 0.00 1.00 -ATOM 703 CBL TOP 1 1 14.122 7.799 10.050 0.00 1.00 -ATOM 704 CBM TOP 1 1 14.122 7.799 13.400 0.00 1.00 -ATOM 705 CBN TOP 1 1 14.122 7.799 16.750 0.00 1.00 -ATOM 706 CBO TOP 1 1 12.894 9.926 10.050 0.00 1.00 -ATOM 707 CBP TOP 1 1 12.894 9.926 13.400 0.00 1.00 -ATOM 708 CBQ TOP 1 1 12.894 9.926 16.750 0.00 1.00 -ATOM 709 CBR TOP 1 1 11.666 12.053 10.050 0.00 1.00 -ATOM 710 CBS TOP 1 1 11.666 12.053 13.400 0.00 1.00 -ATOM 711 CBT TOP 1 1 11.666 12.053 16.750 0.00 1.00 -ATOM 712 CBU TOP 1 1 10.438 14.180 10.050 0.00 1.00 -ATOM 713 CBV TOP 1 1 10.438 14.180 13.400 0.00 1.00 -ATOM 714 CBW TOP 1 1 10.438 14.180 16.750 0.00 1.00 -ATOM 715 CBX TOP 1 1 28.858 16.306 10.050 0.00 1.00 -ATOM 716 CBY TOP 1 1 28.858 16.306 13.400 0.00 1.00 -ATOM 717 CBZ TOP 1 1 28.858 16.306 16.750 0.00 1.00 -ATOM 718 CBa TOP 1 1 27.630 18.433 10.050 0.00 1.00 -ATOM 719 CBb TOP 1 1 27.630 18.433 13.400 0.00 1.00 -ATOM 720 CBc TOP 1 1 27.630 18.433 16.750 0.00 1.00 -ATOM 721 CBd TOP 1 1 26.402 20.560 10.050 0.00 1.00 -ATOM 722 CBe TOP 1 1 26.402 20.560 13.400 0.00 1.00 -ATOM 723 CBf TOP 1 1 26.402 20.560 16.750 0.00 1.00 -ATOM 724 CBg TOP 1 1 25.174 22.687 10.050 0.00 1.00 -ATOM 725 CBh TOP 1 1 25.174 22.687 13.400 0.00 1.00 -ATOM 726 CBi TOP 1 1 25.174 22.687 16.750 0.00 1.00 -ATOM 727 CBj TOP 1 1 23.946 24.814 10.050 0.00 1.00 -ATOM 728 CBk TOP 1 1 23.946 24.814 13.400 0.00 1.00 -ATOM 729 CBl TOP 1 1 23.946 24.814 16.750 0.00 1.00 -ATOM 730 CBm TOP 1 1 22.718 26.941 10.050 0.00 1.00 -ATOM 731 CBn TOP 1 1 22.718 26.941 13.400 0.00 1.00 -ATOM 732 CBo TOP 1 1 22.718 26.941 16.750 0.00 1.00 -ATOM 733 CBp TOP 1 1 21.490 29.068 10.050 0.00 1.00 -ATOM 734 CBq TOP 1 1 21.490 29.068 13.400 0.00 1.00 -ATOM 735 CBr TOP 1 1 21.490 29.068 16.750 0.00 1.00 -ATOM 736 CBs TOP 1 1 20.262 1.418 10.050 0.00 1.00 -ATOM 737 CBt TOP 1 1 20.262 1.418 13.400 0.00 1.00 -ATOM 738 CBu TOP 1 1 20.262 1.418 16.750 0.00 1.00 -ATOM 739 CBv TOP 1 1 19.034 3.545 10.050 0.00 1.00 -ATOM 740 CBw TOP 1 1 19.034 3.545 13.400 0.00 1.00 -ATOM 741 CBx TOP 1 1 19.034 3.545 16.750 0.00 1.00 -ATOM 742 CBy TOP 1 1 17.806 5.672 10.050 0.00 1.00 -ATOM 743 CBz TOP 1 1 17.806 5.672 13.400 0.00 1.00 -ATOM 744 CC0 TOP 1 1 17.806 5.672 16.750 0.00 1.00 -ATOM 745 CC1 TOP 1 1 16.578 7.799 10.050 0.00 1.00 -ATOM 746 CC2 TOP 1 1 16.578 7.799 13.400 0.00 1.00 -ATOM 747 CC3 TOP 1 1 16.578 7.799 16.750 0.00 1.00 -ATOM 748 CC4 TOP 1 1 15.350 9.926 10.050 0.00 1.00 -ATOM 749 CC5 TOP 1 1 15.350 9.926 13.400 0.00 1.00 -ATOM 750 CC6 TOP 1 1 15.350 9.926 16.750 0.00 1.00 -ATOM 751 CC7 TOP 1 1 14.122 12.053 10.050 0.00 1.00 -ATOM 752 CC8 TOP 1 1 14.122 12.053 13.400 0.00 1.00 -ATOM 753 CC9 TOP 1 1 14.122 12.053 16.750 0.00 1.00 -ATOM 754 CCA TOP 1 1 12.894 14.180 10.050 0.00 1.00 -ATOM 755 CCB TOP 1 1 12.894 14.180 13.400 0.00 1.00 -ATOM 756 CCC TOP 1 1 12.894 14.180 16.750 0.00 1.00 -ATOM 757 CCD TOP 1 1 1.842 16.306 10.050 0.00 1.00 -ATOM 758 CCE TOP 1 1 1.842 16.306 13.400 0.00 1.00 -ATOM 759 CCF TOP 1 1 1.842 16.306 16.750 0.00 1.00 -ATOM 760 CCG TOP 1 1 0.614 18.433 10.050 0.00 1.00 -ATOM 761 CCH TOP 1 1 0.614 18.433 13.400 0.00 1.00 -ATOM 762 CCI TOP 1 1 0.614 18.433 16.750 0.00 1.00 -ATOM 763 CCJ TOP 1 1 28.858 20.560 10.050 0.00 1.00 -ATOM 764 CCK TOP 1 1 28.858 20.560 13.400 0.00 1.00 -ATOM 765 CCL TOP 1 1 28.858 20.560 16.750 0.00 1.00 -ATOM 766 CCM TOP 1 1 27.630 22.687 10.050 0.00 1.00 -ATOM 767 CCN TOP 1 1 27.630 22.687 13.400 0.00 1.00 -ATOM 768 CCO TOP 1 1 27.630 22.687 16.750 0.00 1.00 -ATOM 769 CCP TOP 1 1 26.402 24.814 10.050 0.00 1.00 -ATOM 770 CCQ TOP 1 1 26.402 24.814 13.400 0.00 1.00 -ATOM 771 CCR TOP 1 1 26.402 24.814 16.750 0.00 1.00 -ATOM 772 CCS TOP 1 1 25.174 26.941 10.050 0.00 1.00 -ATOM 773 CCT TOP 1 1 25.174 26.941 13.400 0.00 1.00 -ATOM 774 CCU TOP 1 1 25.174 26.941 16.750 0.00 1.00 -ATOM 775 CCV TOP 1 1 23.946 29.068 10.050 0.00 1.00 -ATOM 776 CCW TOP 1 1 23.946 29.068 13.400 0.00 1.00 -ATOM 777 CCX TOP 1 1 23.946 29.068 16.750 0.00 1.00 -ATOM 778 CCY TOP 1 1 22.718 1.418 10.050 0.00 1.00 -ATOM 779 CCZ TOP 1 1 22.718 1.418 13.400 0.00 1.00 -ATOM 780 CCa TOP 1 1 22.718 1.418 16.750 0.00 1.00 -ATOM 781 CCb TOP 1 1 21.490 3.545 10.050 0.00 1.00 -ATOM 782 CCc TOP 1 1 21.490 3.545 13.400 0.00 1.00 -ATOM 783 CCd TOP 1 1 21.490 3.545 16.750 0.00 1.00 -ATOM 784 CCe TOP 1 1 20.262 5.672 10.050 0.00 1.00 -ATOM 785 CCf TOP 1 1 20.262 5.672 13.400 0.00 1.00 -ATOM 786 CCg TOP 1 1 20.262 5.672 16.750 0.00 1.00 -ATOM 787 CCh TOP 1 1 19.034 7.799 10.050 0.00 1.00 -ATOM 788 CCi TOP 1 1 19.034 7.799 13.400 0.00 1.00 -ATOM 789 CCj TOP 1 1 19.034 7.799 16.750 0.00 1.00 -ATOM 790 CCk TOP 1 1 17.806 9.926 10.050 0.00 1.00 -ATOM 791 CCl TOP 1 1 17.806 9.926 13.400 0.00 1.00 -ATOM 792 CCm TOP 1 1 17.806 9.926 16.750 0.00 1.00 -ATOM 793 CCn TOP 1 1 16.578 12.053 10.050 0.00 1.00 -ATOM 794 CCo TOP 1 1 16.578 12.053 13.400 0.00 1.00 -ATOM 795 CCp TOP 1 1 16.578 12.053 16.750 0.00 1.00 -ATOM 796 CCq TOP 1 1 15.350 14.180 10.050 0.00 1.00 -ATOM 797 CCr TOP 1 1 15.350 14.180 13.400 0.00 1.00 -ATOM 798 CCs TOP 1 1 15.350 14.180 16.750 0.00 1.00 -ATOM 799 CCt TOP 1 1 4.298 16.306 10.050 0.00 1.00 -ATOM 800 CCu TOP 1 1 4.298 16.306 13.400 0.00 1.00 -ATOM 801 CCv TOP 1 1 4.298 16.306 16.750 0.00 1.00 -ATOM 802 CCw TOP 1 1 3.070 18.433 10.050 0.00 1.00 -ATOM 803 CCx TOP 1 1 3.070 18.433 13.400 0.00 1.00 -ATOM 804 CCy TOP 1 1 3.070 18.433 16.750 0.00 1.00 -ATOM 805 CCz TOP 1 1 1.842 20.560 10.050 0.00 1.00 -ATOM 806 CD0 TOP 1 1 1.842 20.560 13.400 0.00 1.00 -ATOM 807 CD1 TOP 1 1 1.842 20.560 16.750 0.00 1.00 -ATOM 808 CD2 TOP 1 1 0.614 22.687 10.050 0.00 1.00 -ATOM 809 CD3 TOP 1 1 0.614 22.687 13.400 0.00 1.00 -ATOM 810 CD4 TOP 1 1 0.614 22.687 16.750 0.00 1.00 -ATOM 811 CD5 TOP 1 1 28.858 24.814 10.050 0.00 1.00 -ATOM 812 CD6 TOP 1 1 28.858 24.814 13.400 0.00 1.00 -ATOM 813 CD7 TOP 1 1 28.858 24.814 16.750 0.00 1.00 -ATOM 814 CD8 TOP 1 1 27.630 26.941 10.050 0.00 1.00 -ATOM 815 CD9 TOP 1 1 27.630 26.941 13.400 0.00 1.00 -ATOM 816 CDA TOP 1 1 27.630 26.941 16.750 0.00 1.00 -ATOM 817 CDB TOP 1 1 26.402 29.068 10.050 0.00 1.00 -ATOM 818 CDC TOP 1 1 26.402 29.068 13.400 0.00 1.00 -ATOM 819 CDD TOP 1 1 26.402 29.068 16.750 0.00 1.00 -ATOM 820 CDE TOP 1 1 25.174 1.418 10.050 0.00 1.00 -ATOM 821 CDF TOP 1 1 25.174 1.418 13.400 0.00 1.00 -ATOM 822 CDG TOP 1 1 25.174 1.418 16.750 0.00 1.00 -ATOM 823 CDH TOP 1 1 23.946 3.545 10.050 0.00 1.00 -ATOM 824 CDI TOP 1 1 23.946 3.545 13.400 0.00 1.00 -ATOM 825 CDJ TOP 1 1 23.946 3.545 16.750 0.00 1.00 -ATOM 826 CDK TOP 1 1 22.718 5.672 10.050 0.00 1.00 -ATOM 827 CDL TOP 1 1 22.718 5.672 13.400 0.00 1.00 -ATOM 828 CDM TOP 1 1 22.718 5.672 16.750 0.00 1.00 -ATOM 829 CDN TOP 1 1 21.490 7.799 10.050 0.00 1.00 -ATOM 830 CDO TOP 1 1 21.490 7.799 13.400 0.00 1.00 -ATOM 831 CDP TOP 1 1 21.490 7.799 16.750 0.00 1.00 -ATOM 832 CDQ TOP 1 1 20.262 9.926 10.050 0.00 1.00 -ATOM 833 CDR TOP 1 1 20.262 9.926 13.400 0.00 1.00 -ATOM 834 CDS TOP 1 1 20.262 9.926 16.750 0.00 1.00 -ATOM 835 CDT TOP 1 1 19.034 12.053 10.050 0.00 1.00 -ATOM 836 CDU TOP 1 1 19.034 12.053 13.400 0.00 1.00 -ATOM 837 CDV TOP 1 1 19.034 12.053 16.750 0.00 1.00 -ATOM 838 CDW TOP 1 1 17.806 14.180 10.050 0.00 1.00 -ATOM 839 CDX TOP 1 1 17.806 14.180 13.400 0.00 1.00 -ATOM 840 CDY TOP 1 1 17.806 14.180 16.750 0.00 1.00 -ATOM 841 CDZ TOP 1 1 6.754 16.306 10.050 0.00 1.00 -ATOM 842 CDa TOP 1 1 6.754 16.306 13.400 0.00 1.00 -ATOM 843 CDb TOP 1 1 6.754 16.306 16.750 0.00 1.00 -ATOM 844 CDc TOP 1 1 5.526 18.433 10.050 0.00 1.00 -ATOM 845 CDd TOP 1 1 5.526 18.433 13.400 0.00 1.00 -ATOM 846 CDe TOP 1 1 5.526 18.433 16.750 0.00 1.00 -ATOM 847 CDf TOP 1 1 4.298 20.560 10.050 0.00 1.00 -ATOM 848 CDg TOP 1 1 4.298 20.560 13.400 0.00 1.00 -ATOM 849 CDh TOP 1 1 4.298 20.560 16.750 0.00 1.00 -ATOM 850 CDi TOP 1 1 3.070 22.687 10.050 0.00 1.00 -ATOM 851 CDj TOP 1 1 3.070 22.687 13.400 0.00 1.00 -ATOM 852 CDk TOP 1 1 3.070 22.687 16.750 0.00 1.00 -ATOM 853 CDl TOP 1 1 1.842 24.814 10.050 0.00 1.00 -ATOM 854 CDm TOP 1 1 1.842 24.814 13.400 0.00 1.00 -ATOM 855 CDn TOP 1 1 1.842 24.814 16.750 0.00 1.00 -ATOM 856 CDo TOP 1 1 0.614 26.941 10.050 0.00 1.00 -ATOM 857 CDp TOP 1 1 0.614 26.941 13.400 0.00 1.00 -ATOM 858 CDq TOP 1 1 0.614 26.941 16.750 0.00 1.00 -ATOM 859 CDr TOP 1 1 28.858 29.068 10.050 0.00 1.00 -ATOM 860 CDs TOP 1 1 28.858 29.068 13.400 0.00 1.00 -ATOM 861 CDt TOP 1 1 28.858 29.068 16.750 0.00 1.00 -ATOM 862 CDu TOP 1 1 27.630 1.418 10.050 0.00 1.00 -ATOM 863 CDv TOP 1 1 27.630 1.418 13.400 0.00 1.00 -ATOM 864 CDw TOP 1 1 27.630 1.418 16.750 0.00 1.00 -ATOM 865 CDx TOP 1 1 26.402 3.545 10.050 0.00 1.00 -ATOM 866 CDy TOP 1 1 26.402 3.545 13.400 0.00 1.00 -ATOM 867 CDz TOP 1 1 26.402 3.545 16.750 0.00 1.00 -ATOM 868 CE0 TOP 1 1 25.174 5.672 10.050 0.00 1.00 -ATOM 869 CE1 TOP 1 1 25.174 5.672 13.400 0.00 1.00 -ATOM 870 CE2 TOP 1 1 25.174 5.672 16.750 0.00 1.00 -ATOM 871 CE3 TOP 1 1 23.946 7.799 10.050 0.00 1.00 -ATOM 872 CE4 TOP 1 1 23.946 7.799 13.400 0.00 1.00 -ATOM 873 CE5 TOP 1 1 23.946 7.799 16.750 0.00 1.00 -ATOM 874 CE6 TOP 1 1 22.718 9.926 10.050 0.00 1.00 -ATOM 875 CE7 TOP 1 1 22.718 9.926 13.400 0.00 1.00 -ATOM 876 CE8 TOP 1 1 22.718 9.926 16.750 0.00 1.00 -ATOM 877 CE9 TOP 1 1 21.490 12.053 10.050 0.00 1.00 -ATOM 878 CEA TOP 1 1 21.490 12.053 13.400 0.00 1.00 -ATOM 879 CEB TOP 1 1 21.490 12.053 16.750 0.00 1.00 -ATOM 880 CEC TOP 1 1 20.262 14.180 10.050 0.00 1.00 -ATOM 881 CED TOP 1 1 20.262 14.180 13.400 0.00 1.00 -ATOM 882 CEE TOP 1 1 20.262 14.180 16.750 0.00 1.00 -ATOM 883 CEF TOP 1 1 9.210 16.306 10.050 0.00 1.00 -ATOM 884 CEG TOP 1 1 9.210 16.306 13.400 0.00 1.00 -ATOM 885 CEH TOP 1 1 9.210 16.306 16.750 0.00 1.00 -ATOM 886 CEI TOP 1 1 7.982 18.433 10.050 0.00 1.00 -ATOM 887 CEJ TOP 1 1 7.982 18.433 13.400 0.00 1.00 -ATOM 888 CEK TOP 1 1 7.982 18.433 16.750 0.00 1.00 -ATOM 889 CEL TOP 1 1 6.754 20.560 10.050 0.00 1.00 -ATOM 890 CEM TOP 1 1 6.754 20.560 13.400 0.00 1.00 -ATOM 891 CEN TOP 1 1 6.754 20.560 16.750 0.00 1.00 -ATOM 892 CEO TOP 1 1 5.526 22.687 10.050 0.00 1.00 -ATOM 893 CEP TOP 1 1 5.526 22.687 13.400 0.00 1.00 -ATOM 894 CEQ TOP 1 1 5.526 22.687 16.750 0.00 1.00 -ATOM 895 CER TOP 1 1 4.298 24.814 10.050 0.00 1.00 -ATOM 896 CES TOP 1 1 4.298 24.814 13.400 0.00 1.00 -ATOM 897 CET TOP 1 1 4.298 24.814 16.750 0.00 1.00 -ATOM 898 CEU TOP 1 1 3.070 26.941 10.050 0.00 1.00 -ATOM 899 CEV TOP 1 1 3.070 26.941 13.400 0.00 1.00 -ATOM 900 CEW TOP 1 1 3.070 26.941 16.750 0.00 1.00 -ATOM 901 CEX TOP 1 1 1.842 29.068 10.050 0.00 1.00 -ATOM 902 CEY TOP 1 1 1.842 29.068 13.400 0.00 1.00 -ATOM 903 CEZ TOP 1 1 1.842 29.068 16.750 0.00 1.00 -ATOM 904 CEa TOP 1 1 0.614 1.418 10.050 0.00 1.00 -ATOM 905 CEb TOP 1 1 0.614 1.418 13.400 0.00 1.00 -ATOM 906 CEc TOP 1 1 0.614 1.418 16.750 0.00 1.00 -ATOM 907 CEd TOP 1 1 28.858 3.545 10.050 0.00 1.00 -ATOM 908 CEe TOP 1 1 28.858 3.545 13.400 0.00 1.00 -ATOM 909 CEf TOP 1 1 28.858 3.545 16.750 0.00 1.00 -ATOM 910 CEg TOP 1 1 27.630 5.672 10.050 0.00 1.00 -ATOM 911 CEh TOP 1 1 27.630 5.672 13.400 0.00 1.00 -ATOM 912 CEi TOP 1 1 27.630 5.672 16.750 0.00 1.00 -ATOM 913 CEj TOP 1 1 26.402 7.799 10.050 0.00 1.00 -ATOM 914 CEk TOP 1 1 26.402 7.799 13.400 0.00 1.00 -ATOM 915 CEl TOP 1 1 26.402 7.799 16.750 0.00 1.00 -ATOM 916 CEm TOP 1 1 25.174 9.926 10.050 0.00 1.00 -ATOM 917 CEn TOP 1 1 25.174 9.926 13.400 0.00 1.00 -ATOM 918 CEo TOP 1 1 25.174 9.926 16.750 0.00 1.00 -ATOM 919 CEp TOP 1 1 23.946 12.053 10.050 0.00 1.00 -ATOM 920 CEq TOP 1 1 23.946 12.053 13.400 0.00 1.00 -ATOM 921 CEr TOP 1 1 23.946 12.053 16.750 0.00 1.00 -ATOM 922 CEs TOP 1 1 22.718 14.180 10.050 0.00 1.00 -ATOM 923 CEt TOP 1 1 22.718 14.180 13.400 0.00 1.00 -ATOM 924 CEu TOP 1 1 22.718 14.180 16.750 0.00 1.00 -ATOM 925 CEv TOP 1 1 11.666 16.306 10.050 0.00 1.00 -ATOM 926 CEw TOP 1 1 11.666 16.306 13.400 0.00 1.00 -ATOM 927 CEx TOP 1 1 11.666 16.306 16.750 0.00 1.00 -ATOM 928 CEy TOP 1 1 10.438 18.433 10.050 0.00 1.00 -ATOM 929 CEz TOP 1 1 10.438 18.433 13.400 0.00 1.00 -ATOM 930 CF0 TOP 1 1 10.438 18.433 16.750 0.00 1.00 -ATOM 931 CF1 TOP 1 1 9.210 20.560 10.050 0.00 1.00 -ATOM 932 CF2 TOP 1 1 9.210 20.560 13.400 0.00 1.00 -ATOM 933 CF3 TOP 1 1 9.210 20.560 16.750 0.00 1.00 -ATOM 934 CF4 TOP 1 1 7.982 22.687 10.050 0.00 1.00 -ATOM 935 CF5 TOP 1 1 7.982 22.687 13.400 0.00 1.00 -ATOM 936 CF6 TOP 1 1 7.982 22.687 16.750 0.00 1.00 -ATOM 937 CF7 TOP 1 1 6.754 24.814 10.050 0.00 1.00 -ATOM 938 CF8 TOP 1 1 6.754 24.814 13.400 0.00 1.00 -ATOM 939 CF9 TOP 1 1 6.754 24.814 16.750 0.00 1.00 -ATOM 940 CFA TOP 1 1 5.526 26.941 10.050 0.00 1.00 -ATOM 941 CFB TOP 1 1 5.526 26.941 13.400 0.00 1.00 -ATOM 942 CFC TOP 1 1 5.526 26.941 16.750 0.00 1.00 -ATOM 943 CFD TOP 1 1 4.298 29.068 10.050 0.00 1.00 -ATOM 944 CFE TOP 1 1 4.298 29.068 13.400 0.00 1.00 -ATOM 945 CFF TOP 1 1 4.298 29.068 16.750 0.00 1.00 -ATOM 946 CFG TOP 1 1 3.070 1.418 10.050 0.00 1.00 -ATOM 947 CFH TOP 1 1 3.070 1.418 13.400 0.00 1.00 -ATOM 948 CFI TOP 1 1 3.070 1.418 16.750 0.00 1.00 -ATOM 949 CFJ TOP 1 1 1.842 3.545 10.050 0.00 1.00 -ATOM 950 CFK TOP 1 1 1.842 3.545 13.400 0.00 1.00 -ATOM 951 CFL TOP 1 1 1.842 3.545 16.750 0.00 1.00 -ATOM 952 CFM TOP 1 1 0.614 5.672 10.050 0.00 1.00 -ATOM 953 CFN TOP 1 1 0.614 5.672 13.400 0.00 1.00 -ATOM 954 CFO TOP 1 1 0.614 5.672 16.750 0.00 1.00 -ATOM 955 CFP TOP 1 1 28.858 7.799 10.050 0.00 1.00 -ATOM 956 CFQ TOP 1 1 28.858 7.799 13.400 0.00 1.00 -ATOM 957 CFR TOP 1 1 28.858 7.799 16.750 0.00 1.00 -ATOM 958 CFS TOP 1 1 27.630 9.926 10.050 0.00 1.00 -ATOM 959 CFT TOP 1 1 27.630 9.926 13.400 0.00 1.00 -ATOM 960 CFU TOP 1 1 27.630 9.926 16.750 0.00 1.00 -ATOM 961 CFV TOP 1 1 26.402 12.053 10.050 0.00 1.00 -ATOM 962 CFW TOP 1 1 26.402 12.053 13.400 0.00 1.00 -ATOM 963 CFX TOP 1 1 26.402 12.053 16.750 0.00 1.00 -ATOM 964 CFY TOP 1 1 25.174 14.180 10.050 0.00 1.00 -ATOM 965 CFZ TOP 1 1 25.174 14.180 13.400 0.00 1.00 -ATOM 966 CFa TOP 1 1 25.174 14.180 16.750 0.00 1.00 -ATOM 967 CFb TOP 1 1 14.122 16.306 10.050 0.00 1.00 -ATOM 968 CFc TOP 1 1 14.122 16.306 13.400 0.00 1.00 -ATOM 969 CFd TOP 1 1 14.122 16.306 16.750 0.00 1.00 -ATOM 970 CFe TOP 1 1 12.894 18.433 10.050 0.00 1.00 -ATOM 971 CFf TOP 1 1 12.894 18.433 13.400 0.00 1.00 -ATOM 972 CFg TOP 1 1 12.894 18.433 16.750 0.00 1.00 -ATOM 973 CFh TOP 1 1 11.666 20.560 10.050 0.00 1.00 -ATOM 974 CFi TOP 1 1 11.666 20.560 13.400 0.00 1.00 -ATOM 975 CFj TOP 1 1 11.666 20.560 16.750 0.00 1.00 -ATOM 976 CFk TOP 1 1 10.438 22.687 10.050 0.00 1.00 -ATOM 977 CFl TOP 1 1 10.438 22.687 13.400 0.00 1.00 -ATOM 978 CFm TOP 1 1 10.438 22.687 16.750 0.00 1.00 -ATOM 979 CFn TOP 1 1 9.210 24.814 10.050 0.00 1.00 -ATOM 980 CFo TOP 1 1 9.210 24.814 13.400 0.00 1.00 -ATOM 981 CFp TOP 1 1 9.210 24.814 16.750 0.00 1.00 -ATOM 982 CFq TOP 1 1 7.982 26.941 10.050 0.00 1.00 -ATOM 983 CFr TOP 1 1 7.982 26.941 13.400 0.00 1.00 -ATOM 984 CFs TOP 1 1 7.982 26.941 16.750 0.00 1.00 -ATOM 985 CFt TOP 1 1 6.754 29.068 10.050 0.00 1.00 -ATOM 986 CFu TOP 1 1 6.754 29.068 13.400 0.00 1.00 -ATOM 987 CFv TOP 1 1 6.754 29.068 16.750 0.00 1.00 -ATOM 988 CFw TOP 1 1 5.526 1.418 10.050 0.00 1.00 -ATOM 989 CFx TOP 1 1 5.526 1.418 13.400 0.00 1.00 -ATOM 990 CFy TOP 1 1 5.526 1.418 16.750 0.00 1.00 -ATOM 991 CFz TOP 1 1 4.298 3.545 10.050 0.00 1.00 -ATOM 992 CG0 TOP 1 1 4.298 3.545 13.400 0.00 1.00 -ATOM 993 CG1 TOP 1 1 4.298 3.545 16.750 0.00 1.00 -ATOM 994 CG2 TOP 1 1 3.070 5.672 10.050 0.00 1.00 -ATOM 995 CG3 TOP 1 1 3.070 5.672 13.400 0.00 1.00 -ATOM 996 CG4 TOP 1 1 3.070 5.672 16.750 0.00 1.00 -ATOM 997 CG5 TOP 1 1 1.842 7.799 10.050 0.00 1.00 -ATOM 998 CG6 TOP 1 1 1.842 7.799 13.400 0.00 1.00 -ATOM 999 CG7 TOP 1 1 1.842 7.799 16.750 0.00 1.00 -ATOM 1000 CG8 TOP 1 1 0.614 9.926 10.050 0.00 1.00 -ATOM 1001 CG9 TOP 1 1 0.614 9.926 13.400 0.00 1.00 -ATOM 1002 CGA TOP 1 1 0.614 9.926 16.750 0.00 1.00 -ATOM 1003 CGB TOP 1 1 28.858 12.053 10.050 0.00 1.00 -ATOM 1004 CGC TOP 1 1 28.858 12.053 13.400 0.00 1.00 -ATOM 1005 CGD TOP 1 1 28.858 12.053 16.750 0.00 1.00 -ATOM 1006 CGE TOP 1 1 27.630 14.180 10.050 0.00 1.00 -ATOM 1007 CGF TOP 1 1 27.630 14.180 13.400 0.00 1.00 -ATOM 1008 CGG TOP 1 1 27.630 14.180 16.750 0.00 1.00 -ATOM 1009 C1 BOT 1 2 15.350 15.597 0.000 0.00 1.00 -ATOM 1010 C2 BOT 1 2 15.350 15.597 3.350 0.00 1.00 -ATOM 1011 C3 BOT 1 2 15.350 15.597 6.700 0.00 1.00 -ATOM 1012 C4 BOT 1 2 14.122 17.724 0.000 0.00 1.00 -ATOM 1013 C5 BOT 1 2 14.122 17.724 3.350 0.00 1.00 -ATOM 1014 C6 BOT 1 2 14.122 17.724 6.700 0.00 1.00 -ATOM 1015 C7 BOT 1 2 12.894 19.851 0.000 0.00 1.00 -ATOM 1016 C8 BOT 1 2 12.894 19.851 3.350 0.00 1.00 -ATOM 1017 C9 BOT 1 2 12.894 19.851 6.700 0.00 1.00 -ATOM 1018 CA BOT 1 2 11.666 21.978 0.000 0.00 1.00 -ATOM 1019 CB BOT 1 2 11.666 21.978 3.350 0.00 1.00 -ATOM 1020 CC BOT 1 2 11.666 21.978 6.700 0.00 1.00 -ATOM 1021 CD BOT 1 2 10.438 24.105 0.000 0.00 1.00 -ATOM 1022 CE BOT 1 2 10.438 24.105 3.350 0.00 1.00 -ATOM 1023 CF BOT 1 2 10.438 24.105 6.700 0.00 1.00 -ATOM 1024 CG BOT 1 2 9.210 26.232 0.000 0.00 1.00 -ATOM 1025 CH BOT 1 2 9.210 26.232 3.350 0.00 1.00 -ATOM 1026 CI BOT 1 2 9.210 26.232 6.700 0.00 1.00 -ATOM 1027 CJ BOT 1 2 7.982 28.359 0.000 0.00 1.00 -ATOM 1028 CK BOT 1 2 7.982 28.359 3.350 0.00 1.00 -ATOM 1029 CL BOT 1 2 7.982 28.359 6.700 0.00 1.00 -ATOM 1030 CM BOT 1 2 6.754 0.709 0.000 0.00 1.00 -ATOM 1031 CN BOT 1 2 6.754 0.709 3.350 0.00 1.00 -ATOM 1032 CO BOT 1 2 6.754 0.709 6.700 0.00 1.00 -ATOM 1033 CP BOT 1 2 5.526 2.836 0.000 0.00 1.00 -ATOM 1034 CQ BOT 1 2 5.526 2.836 3.350 0.00 1.00 -ATOM 1035 CR BOT 1 2 5.526 2.836 6.700 0.00 1.00 -ATOM 1036 CS BOT 1 2 4.298 4.963 0.000 0.00 1.00 -ATOM 1037 CT BOT 1 2 4.298 4.963 3.350 0.00 1.00 -ATOM 1038 CU BOT 1 2 4.298 4.963 6.700 0.00 1.00 -ATOM 1039 CV BOT 1 2 3.070 7.090 0.000 0.00 1.00 -ATOM 1040 CW BOT 1 2 3.070 7.090 3.350 0.00 1.00 -ATOM 1041 CX BOT 1 2 3.070 7.090 6.700 0.00 1.00 -ATOM 1042 CY BOT 1 2 1.842 9.217 0.000 0.00 1.00 -ATOM 1043 CZ BOT 1 2 1.842 9.217 3.350 0.00 1.00 -ATOM 1044 Ca BOT 1 2 1.842 9.217 6.700 0.00 1.00 -ATOM 1045 Cb BOT 1 2 0.614 11.344 0.000 0.00 1.00 -ATOM 1046 Cc BOT 1 2 0.614 11.344 3.350 0.00 1.00 -ATOM 1047 Cd BOT 1 2 0.614 11.344 6.700 0.00 1.00 -ATOM 1048 Ce BOT 1 2 28.858 13.471 0.000 0.00 1.00 -ATOM 1049 Cf BOT 1 2 28.858 13.471 3.350 0.00 1.00 -ATOM 1050 Cg BOT 1 2 28.858 13.471 6.700 0.00 1.00 -ATOM 1051 Ch BOT 1 2 17.806 15.597 0.000 0.00 1.00 -ATOM 1052 Ci BOT 1 2 17.806 15.597 3.350 0.00 1.00 -ATOM 1053 Cj BOT 1 2 17.806 15.597 6.700 0.00 1.00 -ATOM 1054 Ck BOT 1 2 16.578 17.724 0.000 0.00 1.00 -ATOM 1055 Cl BOT 1 2 16.578 17.724 3.350 0.00 1.00 -ATOM 1056 Cm BOT 1 2 16.578 17.724 6.700 0.00 1.00 -ATOM 1057 Cn BOT 1 2 15.350 19.851 0.000 0.00 1.00 -ATOM 1058 Co BOT 1 2 15.350 19.851 3.350 0.00 1.00 -ATOM 1059 Cp BOT 1 2 15.350 19.851 6.700 0.00 1.00 -ATOM 1060 Cq BOT 1 2 14.122 21.978 0.000 0.00 1.00 -ATOM 1061 Cr BOT 1 2 14.122 21.978 3.350 0.00 1.00 -ATOM 1062 Cs BOT 1 2 14.122 21.978 6.700 0.00 1.00 -ATOM 1063 Ct BOT 1 2 12.894 24.105 0.000 0.00 1.00 -ATOM 1064 Cu BOT 1 2 12.894 24.105 3.350 0.00 1.00 -ATOM 1065 Cv BOT 1 2 12.894 24.105 6.700 0.00 1.00 -ATOM 1066 Cw BOT 1 2 11.666 26.232 0.000 0.00 1.00 -ATOM 1067 Cx BOT 1 2 11.666 26.232 3.350 0.00 1.00 -ATOM 1068 Cy BOT 1 2 11.666 26.232 6.700 0.00 1.00 -ATOM 1069 Cz BOT 1 2 10.438 28.359 0.000 0.00 1.00 -ATOM 1070 C10 BOT 1 2 10.438 28.359 3.350 0.00 1.00 -ATOM 1071 C11 BOT 1 2 10.438 28.359 6.700 0.00 1.00 -ATOM 1072 C12 BOT 1 2 9.210 0.709 0.000 0.00 1.00 -ATOM 1073 C13 BOT 1 2 9.210 0.709 3.350 0.00 1.00 -ATOM 1074 C14 BOT 1 2 9.210 0.709 6.700 0.00 1.00 -ATOM 1075 C15 BOT 1 2 7.982 2.836 0.000 0.00 1.00 -ATOM 1076 C16 BOT 1 2 7.982 2.836 3.350 0.00 1.00 -ATOM 1077 C17 BOT 1 2 7.982 2.836 6.700 0.00 1.00 -ATOM 1078 C18 BOT 1 2 6.754 4.963 0.000 0.00 1.00 -ATOM 1079 C19 BOT 1 2 6.754 4.963 3.350 0.00 1.00 -ATOM 1080 C1A BOT 1 2 6.754 4.963 6.700 0.00 1.00 -ATOM 1081 C1B BOT 1 2 5.526 7.090 0.000 0.00 1.00 -ATOM 1082 C1C BOT 1 2 5.526 7.090 3.350 0.00 1.00 -ATOM 1083 C1D BOT 1 2 5.526 7.090 6.700 0.00 1.00 -ATOM 1084 C1E BOT 1 2 4.298 9.217 0.000 0.00 1.00 -ATOM 1085 C1F BOT 1 2 4.298 9.217 3.350 0.00 1.00 -ATOM 1086 C1G BOT 1 2 4.298 9.217 6.700 0.00 1.00 -ATOM 1087 C1H BOT 1 2 3.070 11.344 0.000 0.00 1.00 -ATOM 1088 C1I BOT 1 2 3.070 11.344 3.350 0.00 1.00 -ATOM 1089 C1J BOT 1 2 3.070 11.344 6.700 0.00 1.00 -ATOM 1090 C1K BOT 1 2 1.842 13.471 0.000 0.00 1.00 -ATOM 1091 C1L BOT 1 2 1.842 13.471 3.350 0.00 1.00 -ATOM 1092 C1M BOT 1 2 1.842 13.471 6.700 0.00 1.00 -ATOM 1093 C1N BOT 1 2 20.262 15.597 0.000 0.00 1.00 -ATOM 1094 C1O BOT 1 2 20.262 15.597 3.350 0.00 1.00 -ATOM 1095 C1P BOT 1 2 20.262 15.597 6.700 0.00 1.00 -ATOM 1096 C1Q BOT 1 2 19.034 17.724 0.000 0.00 1.00 -ATOM 1097 C1R BOT 1 2 19.034 17.724 3.350 0.00 1.00 -ATOM 1098 C1S BOT 1 2 19.034 17.724 6.700 0.00 1.00 -ATOM 1099 C1T BOT 1 2 17.806 19.851 0.000 0.00 1.00 -ATOM 1100 C1U BOT 1 2 17.806 19.851 3.350 0.00 1.00 -ATOM 1101 C1V BOT 1 2 17.806 19.851 6.700 0.00 1.00 -ATOM 1102 C1W BOT 1 2 16.578 21.978 0.000 0.00 1.00 -ATOM 1103 C1X BOT 1 2 16.578 21.978 3.350 0.00 1.00 -ATOM 1104 C1Y BOT 1 2 16.578 21.978 6.700 0.00 1.00 -ATOM 1105 C1Z BOT 1 2 15.350 24.105 0.000 0.00 1.00 -ATOM 1106 C1a BOT 1 2 15.350 24.105 3.350 0.00 1.00 -ATOM 1107 C1b BOT 1 2 15.350 24.105 6.700 0.00 1.00 -ATOM 1108 C1c BOT 1 2 14.122 26.232 0.000 0.00 1.00 -ATOM 1109 C1d BOT 1 2 14.122 26.232 3.350 0.00 1.00 -ATOM 1110 C1e BOT 1 2 14.122 26.232 6.700 0.00 1.00 -ATOM 1111 C1f BOT 1 2 12.894 28.359 0.000 0.00 1.00 -ATOM 1112 C1g BOT 1 2 12.894 28.359 3.350 0.00 1.00 -ATOM 1113 C1h BOT 1 2 12.894 28.359 6.700 0.00 1.00 -ATOM 1114 C1i BOT 1 2 11.666 0.709 0.000 0.00 1.00 -ATOM 1115 C1j BOT 1 2 11.666 0.709 3.350 0.00 1.00 -ATOM 1116 C1k BOT 1 2 11.666 0.709 6.700 0.00 1.00 -ATOM 1117 C1l BOT 1 2 10.438 2.836 0.000 0.00 1.00 -ATOM 1118 C1m BOT 1 2 10.438 2.836 3.350 0.00 1.00 -ATOM 1119 C1n BOT 1 2 10.438 2.836 6.700 0.00 1.00 -ATOM 1120 C1o BOT 1 2 9.210 4.963 0.000 0.00 1.00 -ATOM 1121 C1p BOT 1 2 9.210 4.963 3.350 0.00 1.00 -ATOM 1122 C1q BOT 1 2 9.210 4.963 6.700 0.00 1.00 -ATOM 1123 C1r BOT 1 2 7.982 7.090 0.000 0.00 1.00 -ATOM 1124 C1s BOT 1 2 7.982 7.090 3.350 0.00 1.00 -ATOM 1125 C1t BOT 1 2 7.982 7.090 6.700 0.00 1.00 -ATOM 1126 C1u BOT 1 2 6.754 9.217 0.000 0.00 1.00 -ATOM 1127 C1v BOT 1 2 6.754 9.217 3.350 0.00 1.00 -ATOM 1128 C1w BOT 1 2 6.754 9.217 6.700 0.00 1.00 -ATOM 1129 C1x BOT 1 2 5.526 11.344 0.000 0.00 1.00 -ATOM 1130 C1y BOT 1 2 5.526 11.344 3.350 0.00 1.00 -ATOM 1131 C1z BOT 1 2 5.526 11.344 6.700 0.00 1.00 -ATOM 1132 C20 BOT 1 2 4.298 13.471 0.000 0.00 1.00 -ATOM 1133 C21 BOT 1 2 4.298 13.471 3.350 0.00 1.00 -ATOM 1134 C22 BOT 1 2 4.298 13.471 6.700 0.00 1.00 -ATOM 1135 C23 BOT 1 2 22.718 15.597 0.000 0.00 1.00 -ATOM 1136 C24 BOT 1 2 22.718 15.597 3.350 0.00 1.00 -ATOM 1137 C25 BOT 1 2 22.718 15.597 6.700 0.00 1.00 -ATOM 1138 C26 BOT 1 2 21.490 17.724 0.000 0.00 1.00 -ATOM 1139 C27 BOT 1 2 21.490 17.724 3.350 0.00 1.00 -ATOM 1140 C28 BOT 1 2 21.490 17.724 6.700 0.00 1.00 -ATOM 1141 C29 BOT 1 2 20.262 19.851 0.000 0.00 1.00 -ATOM 1142 C2A BOT 1 2 20.262 19.851 3.350 0.00 1.00 -ATOM 1143 C2B BOT 1 2 20.262 19.851 6.700 0.00 1.00 -ATOM 1144 C2C BOT 1 2 19.034 21.978 0.000 0.00 1.00 -ATOM 1145 C2D BOT 1 2 19.034 21.978 3.350 0.00 1.00 -ATOM 1146 C2E BOT 1 2 19.034 21.978 6.700 0.00 1.00 -ATOM 1147 C2F BOT 1 2 17.806 24.105 0.000 0.00 1.00 -ATOM 1148 C2G BOT 1 2 17.806 24.105 3.350 0.00 1.00 -ATOM 1149 C2H BOT 1 2 17.806 24.105 6.700 0.00 1.00 -ATOM 1150 C2I BOT 1 2 16.578 26.232 0.000 0.00 1.00 -ATOM 1151 C2J BOT 1 2 16.578 26.232 3.350 0.00 1.00 -ATOM 1152 C2K BOT 1 2 16.578 26.232 6.700 0.00 1.00 -ATOM 1153 C2L BOT 1 2 15.350 28.359 0.000 0.00 1.00 -ATOM 1154 C2M BOT 1 2 15.350 28.359 3.350 0.00 1.00 -ATOM 1155 C2N BOT 1 2 15.350 28.359 6.700 0.00 1.00 -ATOM 1156 C2O BOT 1 2 14.122 0.709 0.000 0.00 1.00 -ATOM 1157 C2P BOT 1 2 14.122 0.709 3.350 0.00 1.00 -ATOM 1158 C2Q BOT 1 2 14.122 0.709 6.700 0.00 1.00 -ATOM 1159 C2R BOT 1 2 12.894 2.836 0.000 0.00 1.00 -ATOM 1160 C2S BOT 1 2 12.894 2.836 3.350 0.00 1.00 -ATOM 1161 C2T BOT 1 2 12.894 2.836 6.700 0.00 1.00 -ATOM 1162 C2U BOT 1 2 11.666 4.963 0.000 0.00 1.00 -ATOM 1163 C2V BOT 1 2 11.666 4.963 3.350 0.00 1.00 -ATOM 1164 C2W BOT 1 2 11.666 4.963 6.700 0.00 1.00 -ATOM 1165 C2X BOT 1 2 10.438 7.090 0.000 0.00 1.00 -ATOM 1166 C2Y BOT 1 2 10.438 7.090 3.350 0.00 1.00 -ATOM 1167 C2Z BOT 1 2 10.438 7.090 6.700 0.00 1.00 -ATOM 1168 C2a BOT 1 2 9.210 9.217 0.000 0.00 1.00 -ATOM 1169 C2b BOT 1 2 9.210 9.217 3.350 0.00 1.00 -ATOM 1170 C2c BOT 1 2 9.210 9.217 6.700 0.00 1.00 -ATOM 1171 C2d BOT 1 2 7.982 11.344 0.000 0.00 1.00 -ATOM 1172 C2e BOT 1 2 7.982 11.344 3.350 0.00 1.00 -ATOM 1173 C2f BOT 1 2 7.982 11.344 6.700 0.00 1.00 -ATOM 1174 C2g BOT 1 2 6.754 13.471 0.000 0.00 1.00 -ATOM 1175 C2h BOT 1 2 6.754 13.471 3.350 0.00 1.00 -ATOM 1176 C2i BOT 1 2 6.754 13.471 6.700 0.00 1.00 -ATOM 1177 C2j BOT 1 2 25.174 15.597 0.000 0.00 1.00 -ATOM 1178 C2k BOT 1 2 25.174 15.597 3.350 0.00 1.00 -ATOM 1179 C2l BOT 1 2 25.174 15.597 6.700 0.00 1.00 -ATOM 1180 C2m BOT 1 2 23.946 17.724 0.000 0.00 1.00 -ATOM 1181 C2n BOT 1 2 23.946 17.724 3.350 0.00 1.00 -ATOM 1182 C2o BOT 1 2 23.946 17.724 6.700 0.00 1.00 -ATOM 1183 C2p BOT 1 2 22.718 19.851 0.000 0.00 1.00 -ATOM 1184 C2q BOT 1 2 22.718 19.851 3.350 0.00 1.00 -ATOM 1185 C2r BOT 1 2 22.718 19.851 6.700 0.00 1.00 -ATOM 1186 C2s BOT 1 2 21.490 21.978 0.000 0.00 1.00 -ATOM 1187 C2t BOT 1 2 21.490 21.978 3.350 0.00 1.00 -ATOM 1188 C2u BOT 1 2 21.490 21.978 6.700 0.00 1.00 -ATOM 1189 C2v BOT 1 2 20.262 24.105 0.000 0.00 1.00 -ATOM 1190 C2w BOT 1 2 20.262 24.105 3.350 0.00 1.00 -ATOM 1191 C2x BOT 1 2 20.262 24.105 6.700 0.00 1.00 -ATOM 1192 C2y BOT 1 2 19.034 26.232 0.000 0.00 1.00 -ATOM 1193 C2z BOT 1 2 19.034 26.232 3.350 0.00 1.00 -ATOM 1194 C30 BOT 1 2 19.034 26.232 6.700 0.00 1.00 -ATOM 1195 C31 BOT 1 2 17.806 28.359 0.000 0.00 1.00 -ATOM 1196 C32 BOT 1 2 17.806 28.359 3.350 0.00 1.00 -ATOM 1197 C33 BOT 1 2 17.806 28.359 6.700 0.00 1.00 -ATOM 1198 C34 BOT 1 2 16.578 0.709 0.000 0.00 1.00 -ATOM 1199 C35 BOT 1 2 16.578 0.709 3.350 0.00 1.00 -ATOM 1200 C36 BOT 1 2 16.578 0.709 6.700 0.00 1.00 -ATOM 1201 C37 BOT 1 2 15.350 2.836 0.000 0.00 1.00 -ATOM 1202 C38 BOT 1 2 15.350 2.836 3.350 0.00 1.00 -ATOM 1203 C39 BOT 1 2 15.350 2.836 6.700 0.00 1.00 -ATOM 1204 C3A BOT 1 2 14.122 4.963 0.000 0.00 1.00 -ATOM 1205 C3B BOT 1 2 14.122 4.963 3.350 0.00 1.00 -ATOM 1206 C3C BOT 1 2 14.122 4.963 6.700 0.00 1.00 -ATOM 1207 C3D BOT 1 2 12.894 7.090 0.000 0.00 1.00 -ATOM 1208 C3E BOT 1 2 12.894 7.090 3.350 0.00 1.00 -ATOM 1209 C3F BOT 1 2 12.894 7.090 6.700 0.00 1.00 -ATOM 1210 C3G BOT 1 2 11.666 9.217 0.000 0.00 1.00 -ATOM 1211 C3H BOT 1 2 11.666 9.217 3.350 0.00 1.00 -ATOM 1212 C3I BOT 1 2 11.666 9.217 6.700 0.00 1.00 -ATOM 1213 C3J BOT 1 2 10.438 11.344 0.000 0.00 1.00 -ATOM 1214 C3K BOT 1 2 10.438 11.344 3.350 0.00 1.00 -ATOM 1215 C3L BOT 1 2 10.438 11.344 6.700 0.00 1.00 -ATOM 1216 C3M BOT 1 2 9.210 13.471 0.000 0.00 1.00 -ATOM 1217 C3N BOT 1 2 9.210 13.471 3.350 0.00 1.00 -ATOM 1218 C3O BOT 1 2 9.210 13.471 6.700 0.00 1.00 -ATOM 1219 C3P BOT 1 2 27.630 15.597 0.000 0.00 1.00 -ATOM 1220 C3Q BOT 1 2 27.630 15.597 3.350 0.00 1.00 -ATOM 1221 C3R BOT 1 2 27.630 15.597 6.700 0.00 1.00 -ATOM 1222 C3S BOT 1 2 26.402 17.724 0.000 0.00 1.00 -ATOM 1223 C3T BOT 1 2 26.402 17.724 3.350 0.00 1.00 -ATOM 1224 C3U BOT 1 2 26.402 17.724 6.700 0.00 1.00 -ATOM 1225 C3V BOT 1 2 25.174 19.851 0.000 0.00 1.00 -ATOM 1226 C3W BOT 1 2 25.174 19.851 3.350 0.00 1.00 -ATOM 1227 C3X BOT 1 2 25.174 19.851 6.700 0.00 1.00 -ATOM 1228 C3Y BOT 1 2 23.946 21.978 0.000 0.00 1.00 -ATOM 1229 C3Z BOT 1 2 23.946 21.978 3.350 0.00 1.00 -ATOM 1230 C3a BOT 1 2 23.946 21.978 6.700 0.00 1.00 -ATOM 1231 C3b BOT 1 2 22.718 24.105 0.000 0.00 1.00 -ATOM 1232 C3c BOT 1 2 22.718 24.105 3.350 0.00 1.00 -ATOM 1233 C3d BOT 1 2 22.718 24.105 6.700 0.00 1.00 -ATOM 1234 C3e BOT 1 2 21.490 26.232 0.000 0.00 1.00 -ATOM 1235 C3f BOT 1 2 21.490 26.232 3.350 0.00 1.00 -ATOM 1236 C3g BOT 1 2 21.490 26.232 6.700 0.00 1.00 -ATOM 1237 C3h BOT 1 2 20.262 28.359 0.000 0.00 1.00 -ATOM 1238 C3i BOT 1 2 20.262 28.359 3.350 0.00 1.00 -ATOM 1239 C3j BOT 1 2 20.262 28.359 6.700 0.00 1.00 -ATOM 1240 C3k BOT 1 2 19.034 0.709 0.000 0.00 1.00 -ATOM 1241 C3l BOT 1 2 19.034 0.709 3.350 0.00 1.00 -ATOM 1242 C3m BOT 1 2 19.034 0.709 6.700 0.00 1.00 -ATOM 1243 C3n BOT 1 2 17.806 2.836 0.000 0.00 1.00 -ATOM 1244 C3o BOT 1 2 17.806 2.836 3.350 0.00 1.00 -ATOM 1245 C3p BOT 1 2 17.806 2.836 6.700 0.00 1.00 -ATOM 1246 C3q BOT 1 2 16.578 4.963 0.000 0.00 1.00 -ATOM 1247 C3r BOT 1 2 16.578 4.963 3.350 0.00 1.00 -ATOM 1248 C3s BOT 1 2 16.578 4.963 6.700 0.00 1.00 -ATOM 1249 C3t BOT 1 2 15.350 7.090 0.000 0.00 1.00 -ATOM 1250 C3u BOT 1 2 15.350 7.090 3.350 0.00 1.00 -ATOM 1251 C3v BOT 1 2 15.350 7.090 6.700 0.00 1.00 -ATOM 1252 C3w BOT 1 2 14.122 9.217 0.000 0.00 1.00 -ATOM 1253 C3x BOT 1 2 14.122 9.217 3.350 0.00 1.00 -ATOM 1254 C3y BOT 1 2 14.122 9.217 6.700 0.00 1.00 -ATOM 1255 C3z BOT 1 2 12.894 11.344 0.000 0.00 1.00 -ATOM 1256 C40 BOT 1 2 12.894 11.344 3.350 0.00 1.00 -ATOM 1257 C41 BOT 1 2 12.894 11.344 6.700 0.00 1.00 -ATOM 1258 C42 BOT 1 2 11.666 13.471 0.000 0.00 1.00 -ATOM 1259 C43 BOT 1 2 11.666 13.471 3.350 0.00 1.00 -ATOM 1260 C44 BOT 1 2 11.666 13.471 6.700 0.00 1.00 -ATOM 1261 C45 BOT 1 2 0.614 15.597 0.000 0.00 1.00 -ATOM 1262 C46 BOT 1 2 0.614 15.597 3.350 0.00 1.00 -ATOM 1263 C47 BOT 1 2 0.614 15.597 6.700 0.00 1.00 -ATOM 1264 C48 BOT 1 2 28.858 17.724 0.000 0.00 1.00 -ATOM 1265 C49 BOT 1 2 28.858 17.724 3.350 0.00 1.00 -ATOM 1266 C4A BOT 1 2 28.858 17.724 6.700 0.00 1.00 -ATOM 1267 C4B BOT 1 2 27.630 19.851 0.000 0.00 1.00 -ATOM 1268 C4C BOT 1 2 27.630 19.851 3.350 0.00 1.00 -ATOM 1269 C4D BOT 1 2 27.630 19.851 6.700 0.00 1.00 -ATOM 1270 C4E BOT 1 2 26.402 21.978 0.000 0.00 1.00 -ATOM 1271 C4F BOT 1 2 26.402 21.978 3.350 0.00 1.00 -ATOM 1272 C4G BOT 1 2 26.402 21.978 6.700 0.00 1.00 -ATOM 1273 C4H BOT 1 2 25.174 24.105 0.000 0.00 1.00 -ATOM 1274 C4I BOT 1 2 25.174 24.105 3.350 0.00 1.00 -ATOM 1275 C4J BOT 1 2 25.174 24.105 6.700 0.00 1.00 -ATOM 1276 C4K BOT 1 2 23.946 26.232 0.000 0.00 1.00 -ATOM 1277 C4L BOT 1 2 23.946 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-ATOM 1526 C8M BOT 1 2 11.666 24.814 3.350 0.00 1.00 -ATOM 1527 C8N BOT 1 2 11.666 24.814 6.700 0.00 1.00 -ATOM 1528 C8O BOT 1 2 10.438 26.941 0.000 0.00 1.00 -ATOM 1529 C8P BOT 1 2 10.438 26.941 3.350 0.00 1.00 -ATOM 1530 C8Q BOT 1 2 10.438 26.941 6.700 0.00 1.00 -ATOM 1531 C8R BOT 1 2 9.210 29.068 0.000 0.00 1.00 -ATOM 1532 C8S BOT 1 2 9.210 29.068 3.350 0.00 1.00 -ATOM 1533 C8T BOT 1 2 9.210 29.068 6.700 0.00 1.00 -ATOM 1534 C8U BOT 1 2 7.982 1.418 0.000 0.00 1.00 -ATOM 1535 C8V BOT 1 2 7.982 1.418 3.350 0.00 1.00 -ATOM 1536 C8W BOT 1 2 7.982 1.418 6.700 0.00 1.00 -ATOM 1537 C8X BOT 1 2 6.754 3.545 0.000 0.00 1.00 -ATOM 1538 C8Y BOT 1 2 6.754 3.545 3.350 0.00 1.00 -ATOM 1539 C8Z BOT 1 2 6.754 3.545 6.700 0.00 1.00 -ATOM 1540 C8a BOT 1 2 5.526 5.672 0.000 0.00 1.00 -ATOM 1541 C8b BOT 1 2 5.526 5.672 3.350 0.00 1.00 -ATOM 1542 C8c BOT 1 2 5.526 5.672 6.700 0.00 1.00 -ATOM 1543 C8d BOT 1 2 4.298 7.799 0.000 0.00 1.00 -ATOM 1544 C8e BOT 1 2 4.298 7.799 3.350 0.00 1.00 -ATOM 1545 C8f BOT 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15.350 22.687 0.000 0.00 1.00 -ATOM 1565 C8z BOT 1 2 15.350 22.687 3.350 0.00 1.00 -ATOM 1566 C90 BOT 1 2 15.350 22.687 6.700 0.00 1.00 -ATOM 1567 C91 BOT 1 2 14.122 24.814 0.000 0.00 1.00 -ATOM 1568 C92 BOT 1 2 14.122 24.814 3.350 0.00 1.00 -ATOM 1569 C93 BOT 1 2 14.122 24.814 6.700 0.00 1.00 -ATOM 1570 C94 BOT 1 2 12.894 26.941 0.000 0.00 1.00 -ATOM 1571 C95 BOT 1 2 12.894 26.941 3.350 0.00 1.00 -ATOM 1572 C96 BOT 1 2 12.894 26.941 6.700 0.00 1.00 -ATOM 1573 C97 BOT 1 2 11.666 29.068 0.000 0.00 1.00 -ATOM 1574 C98 BOT 1 2 11.666 29.068 3.350 0.00 1.00 -ATOM 1575 C99 BOT 1 2 11.666 29.068 6.700 0.00 1.00 -ATOM 1576 C9A BOT 1 2 10.438 1.418 0.000 0.00 1.00 -ATOM 1577 C9B BOT 1 2 10.438 1.418 3.350 0.00 1.00 -ATOM 1578 C9C BOT 1 2 10.438 1.418 6.700 0.00 1.00 -ATOM 1579 C9D BOT 1 2 9.210 3.545 0.000 0.00 1.00 -ATOM 1580 C9E BOT 1 2 9.210 3.545 3.350 0.00 1.00 -ATOM 1581 C9F BOT 1 2 9.210 3.545 6.700 0.00 1.00 -ATOM 1582 C9G BOT 1 2 7.982 5.672 0.000 0.00 1.00 -ATOM 1583 C9H BOT 1 2 7.982 5.672 3.350 0.00 1.00 -ATOM 1584 C9I BOT 1 2 7.982 5.672 6.700 0.00 1.00 -ATOM 1585 C9J BOT 1 2 6.754 7.799 0.000 0.00 1.00 -ATOM 1586 C9K BOT 1 2 6.754 7.799 3.350 0.00 1.00 -ATOM 1587 C9L BOT 1 2 6.754 7.799 6.700 0.00 1.00 -ATOM 1588 C9M BOT 1 2 5.526 9.926 0.000 0.00 1.00 -ATOM 1589 C9N BOT 1 2 5.526 9.926 3.350 0.00 1.00 -ATOM 1590 C9O BOT 1 2 5.526 9.926 6.700 0.00 1.00 -ATOM 1591 C9P BOT 1 2 4.298 12.053 0.000 0.00 1.00 -ATOM 1592 C9Q BOT 1 2 4.298 12.053 3.350 0.00 1.00 -ATOM 1593 C9R BOT 1 2 4.298 12.053 6.700 0.00 1.00 -ATOM 1594 C9S BOT 1 2 3.070 14.180 0.000 0.00 1.00 -ATOM 1595 C9T BOT 1 2 3.070 14.180 3.350 0.00 1.00 -ATOM 1596 C9U BOT 1 2 3.070 14.180 6.700 0.00 1.00 -ATOM 1597 C9V BOT 1 2 21.490 16.306 0.000 0.00 1.00 -ATOM 1598 C9W BOT 1 2 21.490 16.306 3.350 0.00 1.00 -ATOM 1599 C9X BOT 1 2 21.490 16.306 6.700 0.00 1.00 -ATOM 1600 C9Y BOT 1 2 20.262 18.433 0.000 0.00 1.00 -ATOM 1601 C9Z BOT 1 2 20.262 18.433 3.350 0.00 1.00 -ATOM 1602 C9a BOT 1 2 20.262 18.433 6.700 0.00 1.00 -ATOM 1603 C9b BOT 1 2 19.034 20.560 0.000 0.00 1.00 -ATOM 1604 C9c BOT 1 2 19.034 20.560 3.350 0.00 1.00 -ATOM 1605 C9d BOT 1 2 19.034 20.560 6.700 0.00 1.00 -ATOM 1606 C9e BOT 1 2 17.806 22.687 0.000 0.00 1.00 -ATOM 1607 C9f BOT 1 2 17.806 22.687 3.350 0.00 1.00 -ATOM 1608 C9g BOT 1 2 17.806 22.687 6.700 0.00 1.00 -ATOM 1609 C9h BOT 1 2 16.578 24.814 0.000 0.00 1.00 -ATOM 1610 C9i BOT 1 2 16.578 24.814 3.350 0.00 1.00 -ATOM 1611 C9j BOT 1 2 16.578 24.814 6.700 0.00 1.00 -ATOM 1612 C9k BOT 1 2 15.350 26.941 0.000 0.00 1.00 -ATOM 1613 C9l BOT 1 2 15.350 26.941 3.350 0.00 1.00 -ATOM 1614 C9m BOT 1 2 15.350 26.941 6.700 0.00 1.00 -ATOM 1615 C9n BOT 1 2 14.122 29.068 0.000 0.00 1.00 -ATOM 1616 C9o BOT 1 2 14.122 29.068 3.350 0.00 1.00 -ATOM 1617 C9p BOT 1 2 14.122 29.068 6.700 0.00 1.00 -ATOM 1618 C9q BOT 1 2 12.894 1.418 0.000 0.00 1.00 -ATOM 1619 C9r BOT 1 2 12.894 1.418 3.350 0.00 1.00 -ATOM 1620 C9s BOT 1 2 12.894 1.418 6.700 0.00 1.00 -ATOM 1621 C9t BOT 1 2 11.666 3.545 0.000 0.00 1.00 -ATOM 1622 C9u BOT 1 2 11.666 3.545 3.350 0.00 1.00 -ATOM 1623 C9v BOT 1 2 11.666 3.545 6.700 0.00 1.00 -ATOM 1624 C9w BOT 1 2 10.438 5.672 0.000 0.00 1.00 -ATOM 1625 C9x BOT 1 2 10.438 5.672 3.350 0.00 1.00 -ATOM 1626 C9y BOT 1 2 10.438 5.672 6.700 0.00 1.00 -ATOM 1627 C9z BOT 1 2 9.210 7.799 0.000 0.00 1.00 -ATOM 1628 CA0 BOT 1 2 9.210 7.799 3.350 0.00 1.00 -ATOM 1629 CA1 BOT 1 2 9.210 7.799 6.700 0.00 1.00 -ATOM 1630 CA2 BOT 1 2 7.982 9.926 0.000 0.00 1.00 -ATOM 1631 CA3 BOT 1 2 7.982 9.926 3.350 0.00 1.00 -ATOM 1632 CA4 BOT 1 2 7.982 9.926 6.700 0.00 1.00 -ATOM 1633 CA5 BOT 1 2 6.754 12.053 0.000 0.00 1.00 -ATOM 1634 CA6 BOT 1 2 6.754 12.053 3.350 0.00 1.00 -ATOM 1635 CA7 BOT 1 2 6.754 12.053 6.700 0.00 1.00 -ATOM 1636 CA8 BOT 1 2 5.526 14.180 0.000 0.00 1.00 -ATOM 1637 CA9 BOT 1 2 5.526 14.180 3.350 0.00 1.00 -ATOM 1638 CAA BOT 1 2 5.526 14.180 6.700 0.00 1.00 -ATOM 1639 CAB BOT 1 2 23.946 16.306 0.000 0.00 1.00 -ATOM 1640 CAC BOT 1 2 23.946 16.306 3.350 0.00 1.00 -ATOM 1641 CAD BOT 1 2 23.946 16.306 6.700 0.00 1.00 -ATOM 1642 CAE BOT 1 2 22.718 18.433 0.000 0.00 1.00 -ATOM 1643 CAF BOT 1 2 22.718 18.433 3.350 0.00 1.00 -ATOM 1644 CAG BOT 1 2 22.718 18.433 6.700 0.00 1.00 -ATOM 1645 CAH BOT 1 2 21.490 20.560 0.000 0.00 1.00 -ATOM 1646 CAI BOT 1 2 21.490 20.560 3.350 0.00 1.00 -ATOM 1647 CAJ BOT 1 2 21.490 20.560 6.700 0.00 1.00 -ATOM 1648 CAK BOT 1 2 20.262 22.687 0.000 0.00 1.00 -ATOM 1649 CAL BOT 1 2 20.262 22.687 3.350 0.00 1.00 -ATOM 1650 CAM BOT 1 2 20.262 22.687 6.700 0.00 1.00 -ATOM 1651 CAN BOT 1 2 19.034 24.814 0.000 0.00 1.00 -ATOM 1652 CAO BOT 1 2 19.034 24.814 3.350 0.00 1.00 -ATOM 1653 CAP BOT 1 2 19.034 24.814 6.700 0.00 1.00 -ATOM 1654 CAQ BOT 1 2 17.806 26.941 0.000 0.00 1.00 -ATOM 1655 CAR BOT 1 2 17.806 26.941 3.350 0.00 1.00 -ATOM 1656 CAS BOT 1 2 17.806 26.941 6.700 0.00 1.00 -ATOM 1657 CAT BOT 1 2 16.578 29.068 0.000 0.00 1.00 -ATOM 1658 CAU BOT 1 2 16.578 29.068 3.350 0.00 1.00 -ATOM 1659 CAV BOT 1 2 16.578 29.068 6.700 0.00 1.00 -ATOM 1660 CAW BOT 1 2 15.350 1.418 0.000 0.00 1.00 -ATOM 1661 CAX BOT 1 2 15.350 1.418 3.350 0.00 1.00 -ATOM 1662 CAY BOT 1 2 15.350 1.418 6.700 0.00 1.00 -ATOM 1663 CAZ BOT 1 2 14.122 3.545 0.000 0.00 1.00 -ATOM 1664 CAa BOT 1 2 14.122 3.545 3.350 0.00 1.00 -ATOM 1665 CAb BOT 1 2 14.122 3.545 6.700 0.00 1.00 -ATOM 1666 CAc BOT 1 2 12.894 5.672 0.000 0.00 1.00 -ATOM 1667 CAd BOT 1 2 12.894 5.672 3.350 0.00 1.00 -ATOM 1668 CAe BOT 1 2 12.894 5.672 6.700 0.00 1.00 -ATOM 1669 CAf BOT 1 2 11.666 7.799 0.000 0.00 1.00 -ATOM 1670 CAg BOT 1 2 11.666 7.799 3.350 0.00 1.00 -ATOM 1671 CAh BOT 1 2 11.666 7.799 6.700 0.00 1.00 -ATOM 1672 CAi BOT 1 2 10.438 9.926 0.000 0.00 1.00 -ATOM 1673 CAj BOT 1 2 10.438 9.926 3.350 0.00 1.00 -ATOM 1674 CAk BOT 1 2 10.438 9.926 6.700 0.00 1.00 -ATOM 1675 CAl BOT 1 2 9.210 12.053 0.000 0.00 1.00 -ATOM 1676 CAm BOT 1 2 9.210 12.053 3.350 0.00 1.00 -ATOM 1677 CAn BOT 1 2 9.210 12.053 6.700 0.00 1.00 -ATOM 1678 CAo BOT 1 2 7.982 14.180 0.000 0.00 1.00 -ATOM 1679 CAp BOT 1 2 7.982 14.180 3.350 0.00 1.00 -ATOM 1680 CAq BOT 1 2 7.982 14.180 6.700 0.00 1.00 -ATOM 1681 CAr BOT 1 2 26.402 16.306 0.000 0.00 1.00 -ATOM 1682 CAs BOT 1 2 26.402 16.306 3.350 0.00 1.00 -ATOM 1683 CAt BOT 1 2 26.402 16.306 6.700 0.00 1.00 -ATOM 1684 CAu BOT 1 2 25.174 18.433 0.000 0.00 1.00 -ATOM 1685 CAv BOT 1 2 25.174 18.433 3.350 0.00 1.00 -ATOM 1686 CAw BOT 1 2 25.174 18.433 6.700 0.00 1.00 -ATOM 1687 CAx BOT 1 2 23.946 20.560 0.000 0.00 1.00 -ATOM 1688 CAy BOT 1 2 23.946 20.560 3.350 0.00 1.00 -ATOM 1689 CAz BOT 1 2 23.946 20.560 6.700 0.00 1.00 -ATOM 1690 CB0 BOT 1 2 22.718 22.687 0.000 0.00 1.00 -ATOM 1691 CB1 BOT 1 2 22.718 22.687 3.350 0.00 1.00 -ATOM 1692 CB2 BOT 1 2 22.718 22.687 6.700 0.00 1.00 -ATOM 1693 CB3 BOT 1 2 21.490 24.814 0.000 0.00 1.00 -ATOM 1694 CB4 BOT 1 2 21.490 24.814 3.350 0.00 1.00 -ATOM 1695 CB5 BOT 1 2 21.490 24.814 6.700 0.00 1.00 -ATOM 1696 CB6 BOT 1 2 20.262 26.941 0.000 0.00 1.00 -ATOM 1697 CB7 BOT 1 2 20.262 26.941 3.350 0.00 1.00 -ATOM 1698 CB8 BOT 1 2 20.262 26.941 6.700 0.00 1.00 -ATOM 1699 CB9 BOT 1 2 19.034 29.068 0.000 0.00 1.00 -ATOM 1700 CBA BOT 1 2 19.034 29.068 3.350 0.00 1.00 -ATOM 1701 CBB BOT 1 2 19.034 29.068 6.700 0.00 1.00 -ATOM 1702 CBC BOT 1 2 17.806 1.418 0.000 0.00 1.00 -ATOM 1703 CBD BOT 1 2 17.806 1.418 3.350 0.00 1.00 -ATOM 1704 CBE BOT 1 2 17.806 1.418 6.700 0.00 1.00 -ATOM 1705 CBF BOT 1 2 16.578 3.545 0.000 0.00 1.00 -ATOM 1706 CBG BOT 1 2 16.578 3.545 3.350 0.00 1.00 -ATOM 1707 CBH BOT 1 2 16.578 3.545 6.700 0.00 1.00 -ATOM 1708 CBI BOT 1 2 15.350 5.672 0.000 0.00 1.00 -ATOM 1709 CBJ BOT 1 2 15.350 5.672 3.350 0.00 1.00 -ATOM 1710 CBK BOT 1 2 15.350 5.672 6.700 0.00 1.00 -ATOM 1711 CBL BOT 1 2 14.122 7.799 0.000 0.00 1.00 -ATOM 1712 CBM BOT 1 2 14.122 7.799 3.350 0.00 1.00 -ATOM 1713 CBN BOT 1 2 14.122 7.799 6.700 0.00 1.00 -ATOM 1714 CBO BOT 1 2 12.894 9.926 0.000 0.00 1.00 -ATOM 1715 CBP BOT 1 2 12.894 9.926 3.350 0.00 1.00 -ATOM 1716 CBQ BOT 1 2 12.894 9.926 6.700 0.00 1.00 -ATOM 1717 CBR BOT 1 2 11.666 12.053 0.000 0.00 1.00 -ATOM 1718 CBS BOT 1 2 11.666 12.053 3.350 0.00 1.00 -ATOM 1719 CBT BOT 1 2 11.666 12.053 6.700 0.00 1.00 -ATOM 1720 CBU BOT 1 2 10.438 14.180 0.000 0.00 1.00 -ATOM 1721 CBV BOT 1 2 10.438 14.180 3.350 0.00 1.00 -ATOM 1722 CBW BOT 1 2 10.438 14.180 6.700 0.00 1.00 -ATOM 1723 CBX BOT 1 2 28.858 16.306 0.000 0.00 1.00 -ATOM 1724 CBY BOT 1 2 28.858 16.306 3.350 0.00 1.00 -ATOM 1725 CBZ BOT 1 2 28.858 16.306 6.700 0.00 1.00 -ATOM 1726 CBa BOT 1 2 27.630 18.433 0.000 0.00 1.00 -ATOM 1727 CBb BOT 1 2 27.630 18.433 3.350 0.00 1.00 -ATOM 1728 CBc BOT 1 2 27.630 18.433 6.700 0.00 1.00 -ATOM 1729 CBd BOT 1 2 26.402 20.560 0.000 0.00 1.00 -ATOM 1730 CBe BOT 1 2 26.402 20.560 3.350 0.00 1.00 -ATOM 1731 CBf BOT 1 2 26.402 20.560 6.700 0.00 1.00 -ATOM 1732 CBg BOT 1 2 25.174 22.687 0.000 0.00 1.00 -ATOM 1733 CBh BOT 1 2 25.174 22.687 3.350 0.00 1.00 -ATOM 1734 CBi BOT 1 2 25.174 22.687 6.700 0.00 1.00 -ATOM 1735 CBj BOT 1 2 23.946 24.814 0.000 0.00 1.00 -ATOM 1736 CBk BOT 1 2 23.946 24.814 3.350 0.00 1.00 -ATOM 1737 CBl BOT 1 2 23.946 24.814 6.700 0.00 1.00 -ATOM 1738 CBm BOT 1 2 22.718 26.941 0.000 0.00 1.00 -ATOM 1739 CBn BOT 1 2 22.718 26.941 3.350 0.00 1.00 -ATOM 1740 CBo BOT 1 2 22.718 26.941 6.700 0.00 1.00 -ATOM 1741 CBp BOT 1 2 21.490 29.068 0.000 0.00 1.00 -ATOM 1742 CBq BOT 1 2 21.490 29.068 3.350 0.00 1.00 -ATOM 1743 CBr BOT 1 2 21.490 29.068 6.700 0.00 1.00 -ATOM 1744 CBs BOT 1 2 20.262 1.418 0.000 0.00 1.00 -ATOM 1745 CBt BOT 1 2 20.262 1.418 3.350 0.00 1.00 -ATOM 1746 CBu BOT 1 2 20.262 1.418 6.700 0.00 1.00 -ATOM 1747 CBv BOT 1 2 19.034 3.545 0.000 0.00 1.00 -ATOM 1748 CBw BOT 1 2 19.034 3.545 3.350 0.00 1.00 -ATOM 1749 CBx BOT 1 2 19.034 3.545 6.700 0.00 1.00 -ATOM 1750 CBy BOT 1 2 17.806 5.672 0.000 0.00 1.00 -ATOM 1751 CBz BOT 1 2 17.806 5.672 3.350 0.00 1.00 -ATOM 1752 CC0 BOT 1 2 17.806 5.672 6.700 0.00 1.00 -ATOM 1753 CC1 BOT 1 2 16.578 7.799 0.000 0.00 1.00 -ATOM 1754 CC2 BOT 1 2 16.578 7.799 3.350 0.00 1.00 -ATOM 1755 CC3 BOT 1 2 16.578 7.799 6.700 0.00 1.00 -ATOM 1756 CC4 BOT 1 2 15.350 9.926 0.000 0.00 1.00 -ATOM 1757 CC5 BOT 1 2 15.350 9.926 3.350 0.00 1.00 -ATOM 1758 CC6 BOT 1 2 15.350 9.926 6.700 0.00 1.00 -ATOM 1759 CC7 BOT 1 2 14.122 12.053 0.000 0.00 1.00 -ATOM 1760 CC8 BOT 1 2 14.122 12.053 3.350 0.00 1.00 -ATOM 1761 CC9 BOT 1 2 14.122 12.053 6.700 0.00 1.00 -ATOM 1762 CCA BOT 1 2 12.894 14.180 0.000 0.00 1.00 -ATOM 1763 CCB BOT 1 2 12.894 14.180 3.350 0.00 1.00 -ATOM 1764 CCC BOT 1 2 12.894 14.180 6.700 0.00 1.00 -ATOM 1765 CCD BOT 1 2 1.842 16.306 0.000 0.00 1.00 -ATOM 1766 CCE BOT 1 2 1.842 16.306 3.350 0.00 1.00 -ATOM 1767 CCF BOT 1 2 1.842 16.306 6.700 0.00 1.00 -ATOM 1768 CCG BOT 1 2 0.614 18.433 0.000 0.00 1.00 -ATOM 1769 CCH BOT 1 2 0.614 18.433 3.350 0.00 1.00 -ATOM 1770 CCI BOT 1 2 0.614 18.433 6.700 0.00 1.00 -ATOM 1771 CCJ BOT 1 2 28.858 20.560 0.000 0.00 1.00 -ATOM 1772 CCK BOT 1 2 28.858 20.560 3.350 0.00 1.00 -ATOM 1773 CCL BOT 1 2 28.858 20.560 6.700 0.00 1.00 -ATOM 1774 CCM BOT 1 2 27.630 22.687 0.000 0.00 1.00 -ATOM 1775 CCN BOT 1 2 27.630 22.687 3.350 0.00 1.00 -ATOM 1776 CCO BOT 1 2 27.630 22.687 6.700 0.00 1.00 -ATOM 1777 CCP BOT 1 2 26.402 24.814 0.000 0.00 1.00 -ATOM 1778 CCQ BOT 1 2 26.402 24.814 3.350 0.00 1.00 -ATOM 1779 CCR BOT 1 2 26.402 24.814 6.700 0.00 1.00 -ATOM 1780 CCS BOT 1 2 25.174 26.941 0.000 0.00 1.00 -ATOM 1781 CCT BOT 1 2 25.174 26.941 3.350 0.00 1.00 -ATOM 1782 CCU BOT 1 2 25.174 26.941 6.700 0.00 1.00 -ATOM 1783 CCV BOT 1 2 23.946 29.068 0.000 0.00 1.00 -ATOM 1784 CCW BOT 1 2 23.946 29.068 3.350 0.00 1.00 -ATOM 1785 CCX BOT 1 2 23.946 29.068 6.700 0.00 1.00 -ATOM 1786 CCY BOT 1 2 22.718 1.418 0.000 0.00 1.00 -ATOM 1787 CCZ BOT 1 2 22.718 1.418 3.350 0.00 1.00 -ATOM 1788 CCa BOT 1 2 22.718 1.418 6.700 0.00 1.00 -ATOM 1789 CCb BOT 1 2 21.490 3.545 0.000 0.00 1.00 -ATOM 1790 CCc BOT 1 2 21.490 3.545 3.350 0.00 1.00 -ATOM 1791 CCd BOT 1 2 21.490 3.545 6.700 0.00 1.00 -ATOM 1792 CCe BOT 1 2 20.262 5.672 0.000 0.00 1.00 -ATOM 1793 CCf BOT 1 2 20.262 5.672 3.350 0.00 1.00 -ATOM 1794 CCg BOT 1 2 20.262 5.672 6.700 0.00 1.00 -ATOM 1795 CCh BOT 1 2 19.034 7.799 0.000 0.00 1.00 -ATOM 1796 CCi BOT 1 2 19.034 7.799 3.350 0.00 1.00 -ATOM 1797 CCj BOT 1 2 19.034 7.799 6.700 0.00 1.00 -ATOM 1798 CCk BOT 1 2 17.806 9.926 0.000 0.00 1.00 -ATOM 1799 CCl BOT 1 2 17.806 9.926 3.350 0.00 1.00 -ATOM 1800 CCm BOT 1 2 17.806 9.926 6.700 0.00 1.00 -ATOM 1801 CCn BOT 1 2 16.578 12.053 0.000 0.00 1.00 -ATOM 1802 CCo BOT 1 2 16.578 12.053 3.350 0.00 1.00 -ATOM 1803 CCp BOT 1 2 16.578 12.053 6.700 0.00 1.00 -ATOM 1804 CCq BOT 1 2 15.350 14.180 0.000 0.00 1.00 -ATOM 1805 CCr BOT 1 2 15.350 14.180 3.350 0.00 1.00 -ATOM 1806 CCs BOT 1 2 15.350 14.180 6.700 0.00 1.00 -ATOM 1807 CCt BOT 1 2 4.298 16.306 0.000 0.00 1.00 -ATOM 1808 CCu BOT 1 2 4.298 16.306 3.350 0.00 1.00 -ATOM 1809 CCv BOT 1 2 4.298 16.306 6.700 0.00 1.00 -ATOM 1810 CCw BOT 1 2 3.070 18.433 0.000 0.00 1.00 -ATOM 1811 CCx BOT 1 2 3.070 18.433 3.350 0.00 1.00 -ATOM 1812 CCy BOT 1 2 3.070 18.433 6.700 0.00 1.00 -ATOM 1813 CCz BOT 1 2 1.842 20.560 0.000 0.00 1.00 -ATOM 1814 CD0 BOT 1 2 1.842 20.560 3.350 0.00 1.00 -ATOM 1815 CD1 BOT 1 2 1.842 20.560 6.700 0.00 1.00 -ATOM 1816 CD2 BOT 1 2 0.614 22.687 0.000 0.00 1.00 -ATOM 1817 CD3 BOT 1 2 0.614 22.687 3.350 0.00 1.00 -ATOM 1818 CD4 BOT 1 2 0.614 22.687 6.700 0.00 1.00 -ATOM 1819 CD5 BOT 1 2 28.858 24.814 0.000 0.00 1.00 -ATOM 1820 CD6 BOT 1 2 28.858 24.814 3.350 0.00 1.00 -ATOM 1821 CD7 BOT 1 2 28.858 24.814 6.700 0.00 1.00 -ATOM 1822 CD8 BOT 1 2 27.630 26.941 0.000 0.00 1.00 -ATOM 1823 CD9 BOT 1 2 27.630 26.941 3.350 0.00 1.00 -ATOM 1824 CDA BOT 1 2 27.630 26.941 6.700 0.00 1.00 -ATOM 1825 CDB BOT 1 2 26.402 29.068 0.000 0.00 1.00 -ATOM 1826 CDC BOT 1 2 26.402 29.068 3.350 0.00 1.00 -ATOM 1827 CDD BOT 1 2 26.402 29.068 6.700 0.00 1.00 -ATOM 1828 CDE BOT 1 2 25.174 1.418 0.000 0.00 1.00 -ATOM 1829 CDF BOT 1 2 25.174 1.418 3.350 0.00 1.00 -ATOM 1830 CDG BOT 1 2 25.174 1.418 6.700 0.00 1.00 -ATOM 1831 CDH BOT 1 2 23.946 3.545 0.000 0.00 1.00 -ATOM 1832 CDI BOT 1 2 23.946 3.545 3.350 0.00 1.00 -ATOM 1833 CDJ BOT 1 2 23.946 3.545 6.700 0.00 1.00 -ATOM 1834 CDK BOT 1 2 22.718 5.672 0.000 0.00 1.00 -ATOM 1835 CDL BOT 1 2 22.718 5.672 3.350 0.00 1.00 -ATOM 1836 CDM BOT 1 2 22.718 5.672 6.700 0.00 1.00 -ATOM 1837 CDN BOT 1 2 21.490 7.799 0.000 0.00 1.00 -ATOM 1838 CDO BOT 1 2 21.490 7.799 3.350 0.00 1.00 -ATOM 1839 CDP BOT 1 2 21.490 7.799 6.700 0.00 1.00 -ATOM 1840 CDQ BOT 1 2 20.262 9.926 0.000 0.00 1.00 -ATOM 1841 CDR BOT 1 2 20.262 9.926 3.350 0.00 1.00 -ATOM 1842 CDS BOT 1 2 20.262 9.926 6.700 0.00 1.00 -ATOM 1843 CDT BOT 1 2 19.034 12.053 0.000 0.00 1.00 -ATOM 1844 CDU BOT 1 2 19.034 12.053 3.350 0.00 1.00 -ATOM 1845 CDV BOT 1 2 19.034 12.053 6.700 0.00 1.00 -ATOM 1846 CDW BOT 1 2 17.806 14.180 0.000 0.00 1.00 -ATOM 1847 CDX BOT 1 2 17.806 14.180 3.350 0.00 1.00 -ATOM 1848 CDY BOT 1 2 17.806 14.180 6.700 0.00 1.00 -ATOM 1849 CDZ BOT 1 2 6.754 16.306 0.000 0.00 1.00 -ATOM 1850 CDa BOT 1 2 6.754 16.306 3.350 0.00 1.00 -ATOM 1851 CDb BOT 1 2 6.754 16.306 6.700 0.00 1.00 -ATOM 1852 CDc BOT 1 2 5.526 18.433 0.000 0.00 1.00 -ATOM 1853 CDd BOT 1 2 5.526 18.433 3.350 0.00 1.00 -ATOM 1854 CDe BOT 1 2 5.526 18.433 6.700 0.00 1.00 -ATOM 1855 CDf BOT 1 2 4.298 20.560 0.000 0.00 1.00 -ATOM 1856 CDg BOT 1 2 4.298 20.560 3.350 0.00 1.00 -ATOM 1857 CDh BOT 1 2 4.298 20.560 6.700 0.00 1.00 -ATOM 1858 CDi BOT 1 2 3.070 22.687 0.000 0.00 1.00 -ATOM 1859 CDj BOT 1 2 3.070 22.687 3.350 0.00 1.00 -ATOM 1860 CDk BOT 1 2 3.070 22.687 6.700 0.00 1.00 -ATOM 1861 CDl BOT 1 2 1.842 24.814 0.000 0.00 1.00 -ATOM 1862 CDm BOT 1 2 1.842 24.814 3.350 0.00 1.00 -ATOM 1863 CDn BOT 1 2 1.842 24.814 6.700 0.00 1.00 -ATOM 1864 CDo BOT 1 2 0.614 26.941 0.000 0.00 1.00 -ATOM 1865 CDp BOT 1 2 0.614 26.941 3.350 0.00 1.00 -ATOM 1866 CDq BOT 1 2 0.614 26.941 6.700 0.00 1.00 -ATOM 1867 CDr BOT 1 2 28.858 29.068 0.000 0.00 1.00 -ATOM 1868 CDs BOT 1 2 28.858 29.068 3.350 0.00 1.00 -ATOM 1869 CDt BOT 1 2 28.858 29.068 6.700 0.00 1.00 -ATOM 1870 CDu BOT 1 2 27.630 1.418 0.000 0.00 1.00 -ATOM 1871 CDv BOT 1 2 27.630 1.418 3.350 0.00 1.00 -ATOM 1872 CDw BOT 1 2 27.630 1.418 6.700 0.00 1.00 -ATOM 1873 CDx BOT 1 2 26.402 3.545 0.000 0.00 1.00 -ATOM 1874 CDy BOT 1 2 26.402 3.545 3.350 0.00 1.00 -ATOM 1875 CDz BOT 1 2 26.402 3.545 6.700 0.00 1.00 -ATOM 1876 CE0 BOT 1 2 25.174 5.672 0.000 0.00 1.00 -ATOM 1877 CE1 BOT 1 2 25.174 5.672 3.350 0.00 1.00 -ATOM 1878 CE2 BOT 1 2 25.174 5.672 6.700 0.00 1.00 -ATOM 1879 CE3 BOT 1 2 23.946 7.799 0.000 0.00 1.00 -ATOM 1880 CE4 BOT 1 2 23.946 7.799 3.350 0.00 1.00 -ATOM 1881 CE5 BOT 1 2 23.946 7.799 6.700 0.00 1.00 -ATOM 1882 CE6 BOT 1 2 22.718 9.926 0.000 0.00 1.00 -ATOM 1883 CE7 BOT 1 2 22.718 9.926 3.350 0.00 1.00 -ATOM 1884 CE8 BOT 1 2 22.718 9.926 6.700 0.00 1.00 -ATOM 1885 CE9 BOT 1 2 21.490 12.053 0.000 0.00 1.00 -ATOM 1886 CEA BOT 1 2 21.490 12.053 3.350 0.00 1.00 -ATOM 1887 CEB BOT 1 2 21.490 12.053 6.700 0.00 1.00 -ATOM 1888 CEC BOT 1 2 20.262 14.180 0.000 0.00 1.00 -ATOM 1889 CED BOT 1 2 20.262 14.180 3.350 0.00 1.00 -ATOM 1890 CEE BOT 1 2 20.262 14.180 6.700 0.00 1.00 -ATOM 1891 CEF BOT 1 2 9.210 16.306 0.000 0.00 1.00 -ATOM 1892 CEG BOT 1 2 9.210 16.306 3.350 0.00 1.00 -ATOM 1893 CEH BOT 1 2 9.210 16.306 6.700 0.00 1.00 -ATOM 1894 CEI BOT 1 2 7.982 18.433 0.000 0.00 1.00 -ATOM 1895 CEJ BOT 1 2 7.982 18.433 3.350 0.00 1.00 -ATOM 1896 CEK BOT 1 2 7.982 18.433 6.700 0.00 1.00 -ATOM 1897 CEL BOT 1 2 6.754 20.560 0.000 0.00 1.00 -ATOM 1898 CEM BOT 1 2 6.754 20.560 3.350 0.00 1.00 -ATOM 1899 CEN BOT 1 2 6.754 20.560 6.700 0.00 1.00 -ATOM 1900 CEO BOT 1 2 5.526 22.687 0.000 0.00 1.00 -ATOM 1901 CEP BOT 1 2 5.526 22.687 3.350 0.00 1.00 -ATOM 1902 CEQ BOT 1 2 5.526 22.687 6.700 0.00 1.00 -ATOM 1903 CER BOT 1 2 4.298 24.814 0.000 0.00 1.00 -ATOM 1904 CES BOT 1 2 4.298 24.814 3.350 0.00 1.00 -ATOM 1905 CET BOT 1 2 4.298 24.814 6.700 0.00 1.00 -ATOM 1906 CEU BOT 1 2 3.070 26.941 0.000 0.00 1.00 -ATOM 1907 CEV BOT 1 2 3.070 26.941 3.350 0.00 1.00 -ATOM 1908 CEW BOT 1 2 3.070 26.941 6.700 0.00 1.00 -ATOM 1909 CEX BOT 1 2 1.842 29.068 0.000 0.00 1.00 -ATOM 1910 CEY BOT 1 2 1.842 29.068 3.350 0.00 1.00 -ATOM 1911 CEZ BOT 1 2 1.842 29.068 6.700 0.00 1.00 -ATOM 1912 CEa BOT 1 2 0.614 1.418 0.000 0.00 1.00 -ATOM 1913 CEb BOT 1 2 0.614 1.418 3.350 0.00 1.00 -ATOM 1914 CEc BOT 1 2 0.614 1.418 6.700 0.00 1.00 -ATOM 1915 CEd BOT 1 2 28.858 3.545 0.000 0.00 1.00 -ATOM 1916 CEe BOT 1 2 28.858 3.545 3.350 0.00 1.00 -ATOM 1917 CEf BOT 1 2 28.858 3.545 6.700 0.00 1.00 -ATOM 1918 CEg BOT 1 2 27.630 5.672 0.000 0.00 1.00 -ATOM 1919 CEh BOT 1 2 27.630 5.672 3.350 0.00 1.00 -ATOM 1920 CEi BOT 1 2 27.630 5.672 6.700 0.00 1.00 -ATOM 1921 CEj BOT 1 2 26.402 7.799 0.000 0.00 1.00 -ATOM 1922 CEk BOT 1 2 26.402 7.799 3.350 0.00 1.00 -ATOM 1923 CEl BOT 1 2 26.402 7.799 6.700 0.00 1.00 -ATOM 1924 CEm BOT 1 2 25.174 9.926 0.000 0.00 1.00 -ATOM 1925 CEn BOT 1 2 25.174 9.926 3.350 0.00 1.00 -ATOM 1926 CEo BOT 1 2 25.174 9.926 6.700 0.00 1.00 -ATOM 1927 CEp BOT 1 2 23.946 12.053 0.000 0.00 1.00 -ATOM 1928 CEq BOT 1 2 23.946 12.053 3.350 0.00 1.00 -ATOM 1929 CEr BOT 1 2 23.946 12.053 6.700 0.00 1.00 -ATOM 1930 CEs BOT 1 2 22.718 14.180 0.000 0.00 1.00 -ATOM 1931 CEt BOT 1 2 22.718 14.180 3.350 0.00 1.00 -ATOM 1932 CEu BOT 1 2 22.718 14.180 6.700 0.00 1.00 -ATOM 1933 CEv BOT 1 2 11.666 16.306 0.000 0.00 1.00 -ATOM 1934 CEw BOT 1 2 11.666 16.306 3.350 0.00 1.00 -ATOM 1935 CEx BOT 1 2 11.666 16.306 6.700 0.00 1.00 -ATOM 1936 CEy BOT 1 2 10.438 18.433 0.000 0.00 1.00 -ATOM 1937 CEz BOT 1 2 10.438 18.433 3.350 0.00 1.00 -ATOM 1938 CF0 BOT 1 2 10.438 18.433 6.700 0.00 1.00 -ATOM 1939 CF1 BOT 1 2 9.210 20.560 0.000 0.00 1.00 -ATOM 1940 CF2 BOT 1 2 9.210 20.560 3.350 0.00 1.00 -ATOM 1941 CF3 BOT 1 2 9.210 20.560 6.700 0.00 1.00 -ATOM 1942 CF4 BOT 1 2 7.982 22.687 0.000 0.00 1.00 -ATOM 1943 CF5 BOT 1 2 7.982 22.687 3.350 0.00 1.00 -ATOM 1944 CF6 BOT 1 2 7.982 22.687 6.700 0.00 1.00 -ATOM 1945 CF7 BOT 1 2 6.754 24.814 0.000 0.00 1.00 -ATOM 1946 CF8 BOT 1 2 6.754 24.814 3.350 0.00 1.00 -ATOM 1947 CF9 BOT 1 2 6.754 24.814 6.700 0.00 1.00 -ATOM 1948 CFA BOT 1 2 5.526 26.941 0.000 0.00 1.00 -ATOM 1949 CFB BOT 1 2 5.526 26.941 3.350 0.00 1.00 -ATOM 1950 CFC BOT 1 2 5.526 26.941 6.700 0.00 1.00 -ATOM 1951 CFD BOT 1 2 4.298 29.068 0.000 0.00 1.00 -ATOM 1952 CFE BOT 1 2 4.298 29.068 3.350 0.00 1.00 -ATOM 1953 CFF BOT 1 2 4.298 29.068 6.700 0.00 1.00 -ATOM 1954 CFG BOT 1 2 3.070 1.418 0.000 0.00 1.00 -ATOM 1955 CFH BOT 1 2 3.070 1.418 3.350 0.00 1.00 -ATOM 1956 CFI BOT 1 2 3.070 1.418 6.700 0.00 1.00 -ATOM 1957 CFJ BOT 1 2 1.842 3.545 0.000 0.00 1.00 -ATOM 1958 CFK BOT 1 2 1.842 3.545 3.350 0.00 1.00 -ATOM 1959 CFL BOT 1 2 1.842 3.545 6.700 0.00 1.00 -ATOM 1960 CFM BOT 1 2 0.614 5.672 0.000 0.00 1.00 -ATOM 1961 CFN BOT 1 2 0.614 5.672 3.350 0.00 1.00 -ATOM 1962 CFO BOT 1 2 0.614 5.672 6.700 0.00 1.00 -ATOM 1963 CFP BOT 1 2 28.858 7.799 0.000 0.00 1.00 -ATOM 1964 CFQ BOT 1 2 28.858 7.799 3.350 0.00 1.00 -ATOM 1965 CFR BOT 1 2 28.858 7.799 6.700 0.00 1.00 -ATOM 1966 CFS BOT 1 2 27.630 9.926 0.000 0.00 1.00 -ATOM 1967 CFT BOT 1 2 27.630 9.926 3.350 0.00 1.00 -ATOM 1968 CFU BOT 1 2 27.630 9.926 6.700 0.00 1.00 -ATOM 1969 CFV BOT 1 2 26.402 12.053 0.000 0.00 1.00 -ATOM 1970 CFW BOT 1 2 26.402 12.053 3.350 0.00 1.00 -ATOM 1971 CFX BOT 1 2 26.402 12.053 6.700 0.00 1.00 -ATOM 1972 CFY BOT 1 2 25.174 14.180 0.000 0.00 1.00 -ATOM 1973 CFZ BOT 1 2 25.174 14.180 3.350 0.00 1.00 -ATOM 1974 CFa BOT 1 2 25.174 14.180 6.700 0.00 1.00 -ATOM 1975 CFb BOT 1 2 14.122 16.306 0.000 0.00 1.00 -ATOM 1976 CFc BOT 1 2 14.122 16.306 3.350 0.00 1.00 -ATOM 1977 CFd BOT 1 2 14.122 16.306 6.700 0.00 1.00 -ATOM 1978 CFe BOT 1 2 12.894 18.433 0.000 0.00 1.00 -ATOM 1979 CFf BOT 1 2 12.894 18.433 3.350 0.00 1.00 -ATOM 1980 CFg BOT 1 2 12.894 18.433 6.700 0.00 1.00 -ATOM 1981 CFh BOT 1 2 11.666 20.560 0.000 0.00 1.00 -ATOM 1982 CFi BOT 1 2 11.666 20.560 3.350 0.00 1.00 -ATOM 1983 CFj BOT 1 2 11.666 20.560 6.700 0.00 1.00 -ATOM 1984 CFk BOT 1 2 10.438 22.687 0.000 0.00 1.00 -ATOM 1985 CFl BOT 1 2 10.438 22.687 3.350 0.00 1.00 -ATOM 1986 CFm BOT 1 2 10.438 22.687 6.700 0.00 1.00 -ATOM 1987 CFn BOT 1 2 9.210 24.814 0.000 0.00 1.00 -ATOM 1988 CFo BOT 1 2 9.210 24.814 3.350 0.00 1.00 -ATOM 1989 CFp BOT 1 2 9.210 24.814 6.700 0.00 1.00 -ATOM 1990 CFq BOT 1 2 7.982 26.941 0.000 0.00 1.00 -ATOM 1991 CFr BOT 1 2 7.982 26.941 3.350 0.00 1.00 -ATOM 1992 CFs BOT 1 2 7.982 26.941 6.700 0.00 1.00 -ATOM 1993 CFt BOT 1 2 6.754 29.068 0.000 0.00 1.00 -ATOM 1994 CFu BOT 1 2 6.754 29.068 3.350 0.00 1.00 -ATOM 1995 CFv BOT 1 2 6.754 29.068 6.700 0.00 1.00 -ATOM 1996 CFw BOT 1 2 5.526 1.418 0.000 0.00 1.00 -ATOM 1997 CFx BOT 1 2 5.526 1.418 3.350 0.00 1.00 -ATOM 1998 CFy BOT 1 2 5.526 1.418 6.700 0.00 1.00 -ATOM 1999 CFz BOT 1 2 4.298 3.545 0.000 0.00 1.00 -ATOM 2000 CG0 BOT 1 2 4.298 3.545 3.350 0.00 1.00 -ATOM 2001 CG1 BOT 1 2 4.298 3.545 6.700 0.00 1.00 -ATOM 2002 CG2 BOT 1 2 3.070 5.672 0.000 0.00 1.00 -ATOM 2003 CG3 BOT 1 2 3.070 5.672 3.350 0.00 1.00 -ATOM 2004 CG4 BOT 1 2 3.070 5.672 6.700 0.00 1.00 -ATOM 2005 CG5 BOT 1 2 1.842 7.799 0.000 0.00 1.00 -ATOM 2006 CG6 BOT 1 2 1.842 7.799 3.350 0.00 1.00 -ATOM 2007 CG7 BOT 1 2 1.842 7.799 6.700 0.00 1.00 -ATOM 2008 CG8 BOT 1 2 0.614 9.926 0.000 0.00 1.00 -ATOM 2009 CG9 BOT 1 2 0.614 9.926 3.350 0.00 1.00 -ATOM 2010 CGA BOT 1 2 0.614 9.926 6.700 0.00 1.00 -ATOM 2011 CGB BOT 1 2 28.858 12.053 0.000 0.00 1.00 -ATOM 2012 CGC BOT 1 2 28.858 12.053 3.350 0.00 1.00 -ATOM 2013 CGD BOT 1 2 28.858 12.053 6.700 0.00 1.00 -ATOM 2014 CGE BOT 1 2 27.630 14.180 0.000 0.00 1.00 -ATOM 2015 CGF BOT 1 2 27.630 14.180 3.350 0.00 1.00 -ATOM 2016 CGG BOT 1 2 27.630 14.180 6.700 0.00 1.00 -ATOM 2017 O1 H2O 1 3 22.421 10.552 23.740 0.00 0.00 -ATOM 2018 H1 H2O 1 3 22.190 10.647 24.708 0.00 0.00 -ATOM 2019 H2 H2O 1 3 23.058 11.277 23.477 0.00 0.00 -ATOM 2020 O1 H2O 2 4 26.928 27.505 19.894 0.00 0.00 -ATOM 2021 H1 H2O 2 4 26.769 28.492 19.925 0.00 0.00 -ATOM 2022 H2 H2O 2 4 26.812 27.120 20.809 0.00 0.00 -ATOM 2023 O1 H2O 3 5 10.735 18.149 21.843 0.00 0.00 -ATOM 2024 H1 H2O 3 5 10.539 18.956 21.286 0.00 0.00 -ATOM 2025 H2 H2O 3 5 9.938 17.932 22.407 0.00 0.00 -ATOM 2026 O1 H2O 4 6 28.744 25.804 23.816 0.00 0.00 -ATOM 2027 H1 H2O 4 6 28.988 24.841 23.925 0.00 0.00 -ATOM 2028 H2 H2O 4 6 28.911 26.289 24.675 0.00 0.00 -ATOM 2029 O1 H2O 5 7 17.297 23.858 20.093 0.00 0.00 -ATOM 2030 H1 H2O 5 7 18.018 23.174 20.205 0.00 0.00 -ATOM 2031 H2 H2O 5 7 17.366 24.271 19.185 0.00 0.00 -ATOM 2032 O1 H2O 6 8 13.464 13.906 20.319 0.00 0.00 -ATOM 2033 H1 H2O 6 8 12.564 14.053 20.730 0.00 0.00 -ATOM 2034 H2 H2O 6 8 13.467 13.038 19.823 0.00 0.00 -ATOM 2035 O1 H2O 7 9 25.023 6.107 21.912 0.00 0.00 -ATOM 2036 H1 H2O 7 9 24.256 6.006 22.546 0.00 0.00 -ATOM 2037 H2 H2O 7 9 25.830 6.419 22.413 0.00 0.00 -ATOM 2038 O1 H2O 8 10 22.614 22.939 23.685 0.00 0.00 -ATOM 2039 H1 H2O 8 10 22.473 22.507 24.575 0.00 0.00 -ATOM 2040 H2 H2O 8 10 22.465 22.267 22.960 0.00 0.00 -ATOM 2041 O1 H2O 9 11 27.572 10.728 23.384 0.00 0.00 -ATOM 2042 H1 H2O 9 11 27.510 11.721 23.477 0.00 0.00 -ATOM 2043 H2 H2O 9 11 26.674 10.320 23.552 0.00 0.00 -ATOM 2044 O1 H2O 0 12 10.989 20.259 23.651 0.00 0.00 -ATOM 2045 H1 H2O 0 12 10.293 20.523 22.982 0.00 0.00 -ATOM 2046 H2 H2O 0 12 10.889 19.289 23.870 0.00 0.00 -ATOM 2047 O1 H2O 1 13 13.538 28.588 21.365 0.00 0.00 -ATOM 2048 H1 H2O 1 13 14.338 29.081 21.024 0.00 0.00 -ATOM 2049 H2 H2O 1 13 12.714 28.941 20.921 0.00 0.00 -ATOM 2050 O1 H2O 2 14 9.669 2.337 23.371 0.00 0.00 -ATOM 2051 H1 H2O 2 14 10.628 2.357 23.087 0.00 0.00 -ATOM 2052 H2 H2O 2 14 9.339 3.272 23.500 0.00 0.00 -ATOM 2053 O1 H2O 3 15 0.191 20.663 19.990 0.00 0.00 -ATOM 2054 H1 H2O 3 15 1.189 20.605 19.969 0.00 0.00 -ATOM 2055 H2 H2O 3 15 -0.199 19.870 19.523 0.00 0.00 -ATOM 2056 O1 H2O 4 16 27.234 7.099 23.494 0.00 0.00 -ATOM 2057 H1 H2O 4 16 26.563 7.737 23.872 0.00 0.00 -ATOM 2058 H2 H2O 4 16 28.083 7.589 23.294 0.00 0.00 -ATOM 2059 O1 H2O 5 17 18.439 25.654 23.690 0.00 0.00 -ATOM 2060 H1 H2O 5 17 17.813 24.905 23.908 0.00 0.00 -ATOM 2061 H2 H2O 5 17 19.374 25.304 23.642 0.00 0.00 -ATOM 2062 O1 H2O 6 18 0.736 8.006 20.615 0.00 0.00 -ATOM 2063 H1 H2O 6 18 1.104 7.867 21.535 0.00 0.00 -ATOM 2064 H2 H2O 6 18 -0.132 8.499 20.674 0.00 0.00 -ATOM 2065 O1 H2O 7 19 12.918 17.857 23.381 0.00 0.00 -ATOM 2066 H1 H2O 7 19 13.335 18.761 23.288 0.00 0.00 -ATOM 2067 H2 H2O 7 19 12.213 17.742 22.682 0.00 0.00 -ATOM 2068 O1 H2O 8 20 27.583 2.014 23.760 0.00 0.00 -ATOM 2069 H1 H2O 8 20 27.823 1.846 24.716 0.00 0.00 -ATOM 2070 H2 H2O 8 20 27.665 2.991 23.563 0.00 0.00 -ATOM 2071 O1 H2O 9 21 18.808 4.196 23.503 0.00 0.00 -ATOM 2072 H1 H2O 9 21 19.679 4.424 23.069 0.00 0.00 -ATOM 2073 H2 H2O 9 21 18.797 3.225 23.740 0.00 0.00 -ATOM 2074 O1 H2O 0 22 24.504 22.604 19.636 0.00 0.00 -ATOM 2075 H1 H2O 0 22 24.612 23.583 19.806 0.00 0.00 -ATOM 2076 H2 H2O 0 22 23.593 22.428 19.262 0.00 0.00 -ATOM 2077 O1 H2O 1 23 28.231 16.066 23.923 0.00 0.00 -ATOM 2078 H1 H2O 1 23 28.915 16.787 24.038 0.00 0.00 -ATOM 2079 H2 H2O 1 23 27.330 16.479 23.791 0.00 0.00 -ATOM 2080 O1 H2O 2 24 2.883 10.704 23.306 0.00 0.00 -ATOM 2081 H1 H2O 2 24 2.197 11.343 22.957 0.00 0.00 -ATOM 2082 H2 H2O 2 24 2.986 10.831 24.292 0.00 0.00 -ATOM 2083 O1 H2O 3 25 25.916 4.738 19.766 0.00 0.00 -ATOM 2084 H1 H2O 3 25 26.191 5.418 19.087 0.00 0.00 -ATOM 2085 H2 H2O 3 25 25.622 5.201 20.602 0.00 0.00 -ATOM 2086 O1 H2O 4 26 2.552 25.542 23.118 0.00 0.00 -ATOM 2087 H1 H2O 4 26 2.212 24.611 23.245 0.00 0.00 -ATOM 2088 H2 H2O 4 26 1.945 26.037 22.496 0.00 0.00 -ATOM 2089 O1 H2O 5 27 7.654 2.075 20.845 0.00 0.00 -ATOM 2090 H1 H2O 5 27 7.737 1.566 21.702 0.00 0.00 -ATOM 2091 H2 H2O 5 27 8.546 2.116 20.395 0.00 0.00 -ATOM 2092 O1 H2O 6 28 3.614 3.430 19.716 0.00 0.00 -ATOM 2093 H1 H2O 6 28 4.056 2.583 20.011 0.00 0.00 -ATOM 2094 H2 H2O 6 28 3.400 3.373 18.741 0.00 0.00 -ATOM 2095 O1 H2O 7 29 20.277 18.492 20.121 0.00 0.00 -ATOM 2096 H1 H2O 7 29 21.227 18.768 19.976 0.00 0.00 -ATOM 2097 H2 H2O 7 29 19.684 19.295 20.056 0.00 0.00 -ATOM 2098 O1 H2O 8 30 3.642 28.757 23.460 0.00 0.00 -ATOM 2099 H1 H2O 8 30 4.222 27.996 23.752 0.00 0.00 -ATOM 2100 H2 H2O 8 30 2.692 28.450 23.407 0.00 0.00 -ATOM 2101 O1 H2O 9 31 25.304 9.247 23.428 0.00 0.00 -ATOM 2102 H1 H2O 9 31 24.738 9.247 24.252 0.00 0.00 -ATOM 2103 H2 H2O 9 31 24.732 9.436 22.630 0.00 0.00 -ATOM 2104 O1 H2O 0 32 29.484 17.571 19.612 0.00 0.00 -ATOM 2105 H1 H2O 0 32 28.719 17.794 20.216 0.00 0.00 -ATOM 2106 H2 H2O 0 32 29.700 16.598 19.693 0.00 0.00 -ATOM 2107 O1 H2O 1 33 18.938 5.485 19.418 0.00 0.00 -ATOM 2108 H1 H2O 1 33 19.031 5.850 18.492 0.00 0.00 -ATOM 2109 H2 H2O 1 33 19.081 6.219 20.082 0.00 0.00 -ATOM 2110 O1 H2O 2 34 25.907 0.441 19.850 0.00 0.00 -ATOM 2111 H1 H2O 2 34 24.997 0.856 19.874 0.00 0.00 -ATOM 2112 H2 H2O 2 34 26.599 1.145 20.010 0.00 0.00 -ATOM 2113 O1 H2O 3 35 22.344 8.315 22.302 0.00 0.00 -ATOM 2114 H1 H2O 3 35 22.570 7.450 22.750 0.00 0.00 -ATOM 2115 H2 H2O 3 35 22.409 9.061 22.965 0.00 0.00 -ATOM 2116 O1 H2O 4 36 11.851 15.371 23.761 0.00 0.00 -ATOM 2117 H1 H2O 4 36 12.494 14.658 23.483 0.00 0.00 -ATOM 2118 H2 H2O 4 36 12.272 16.269 23.630 0.00 0.00 -ATOM 2119 O1 H2O 5 37 15.602 0.200 20.183 0.00 0.00 -ATOM 2120 H1 H2O 5 37 15.208 1.020 20.598 0.00 0.00 -ATOM 2121 H2 H2O 5 37 15.392 0.187 19.206 0.00 0.00 -ATOM 2122 O1 H2O 6 38 16.391 15.086 22.780 0.00 0.00 -ATOM 2123 H1 H2O 6 38 16.123 15.695 23.527 0.00 0.00 -ATOM 2124 H2 H2O 6 38 15.935 15.372 21.937 0.00 0.00 -ATOM 2125 O1 H2O 7 39 8.400 24.938 22.552 0.00 0.00 -ATOM 2126 H1 H2O 7 39 7.914 25.719 22.158 0.00 0.00 -ATOM 2127 H2 H2O 7 39 8.403 24.183 21.897 0.00 0.00 -ATOM 2128 O1 H2O 8 40 9.088 7.386 20.565 0.00 0.00 -ATOM 2129 H1 H2O 8 40 8.996 6.424 20.310 0.00 0.00 -ATOM 2130 H2 H2O 8 40 10.048 7.658 20.495 0.00 0.00 -ATOM 2131 O1 H2O 9 41 26.966 13.480 23.559 0.00 0.00 -ATOM 2132 H1 H2O 9 41 26.690 13.417 22.600 0.00 0.00 -ATOM 2133 H2 H2O 9 41 27.460 14.337 23.708 0.00 0.00 -ATOM 2134 O1 H2O 0 42 23.987 0.657 22.462 0.00 0.00 -ATOM 2135 H1 H2O 0 42 24.569 -0.055 22.855 0.00 0.00 -ATOM 2136 H2 H2O 0 42 24.473 1.530 22.475 0.00 0.00 -ATOM 2137 O1 H2O 1 43 18.791 21.920 23.665 0.00 0.00 -ATOM 2138 H1 H2O 1 43 18.881 20.930 23.774 0.00 0.00 -ATOM 2139 H2 H2O 1 43 19.670 22.358 23.858 0.00 0.00 -ATOM 2140 O1 H2O 2 44 28.430 6.092 19.800 0.00 0.00 -ATOM 2141 H1 H2O 2 44 27.715 6.057 20.499 0.00 0.00 -ATOM 2142 H2 H2O 2 44 29.072 6.827 20.017 0.00 0.00 -ATOM 2143 O1 H2O 3 45 4.395 18.688 22.729 0.00 0.00 -ATOM 2144 H1 H2O 3 45 3.981 17.784 22.838 0.00 0.00 -ATOM 2145 H2 H2O 3 45 3.955 19.333 23.354 0.00 0.00 -ATOM 2146 O1 H2O 4 46 20.896 27.821 19.923 0.00 0.00 -ATOM 2147 H1 H2O 4 46 21.249 28.756 19.895 0.00 0.00 -ATOM 2148 H2 H2O 4 46 19.941 27.816 19.626 0.00 0.00 -ATOM 2149 O1 H2O 5 47 29.626 20.063 22.669 0.00 0.00 -ATOM 2150 H1 H2O 5 47 28.697 20.070 23.040 0.00 0.00 -ATOM 2151 H2 H2O 5 47 29.588 20.119 21.672 0.00 0.00 -ATOM 2152 O1 H2O 6 48 5.364 7.049 23.579 0.00 0.00 -ATOM 2153 H1 H2O 6 48 5.343 7.400 24.515 0.00 0.00 -ATOM 2154 H2 H2O 6 48 6.256 6.636 23.397 0.00 0.00 -ATOM 2155 O1 H2O 7 49 25.411 19.913 19.792 0.00 0.00 -ATOM 2156 H1 H2O 7 49 25.541 20.904 19.764 0.00 0.00 -ATOM 2157 H2 H2O 7 49 24.445 19.699 19.647 0.00 0.00 -ATOM 2158 O1 H2O 8 50 12.156 27.010 23.521 0.00 0.00 -ATOM 2159 H1 H2O 8 50 12.968 27.434 23.921 0.00 0.00 -ATOM 2160 H2 H2O 8 50 11.874 27.526 22.712 0.00 0.00 -ATOM 2161 O1 H2O 9 51 13.014 6.610 22.475 0.00 0.00 -ATOM 2162 H1 H2O 9 51 13.192 7.040 21.590 0.00 0.00 -ATOM 2163 H2 H2O 9 51 12.178 6.991 22.869 0.00 0.00 -ATOM 2164 O1 H2O 0 52 26.987 19.956 23.777 0.00 0.00 -ATOM 2165 H1 H2O 0 52 26.281 20.490 23.312 0.00 0.00 -ATOM 2166 H2 H2O 0 52 27.222 20.396 24.643 0.00 0.00 -ATOM 2167 O1 H2O 1 53 1.261 5.906 23.434 0.00 0.00 -ATOM 2168 H1 H2O 1 53 0.969 6.861 23.381 0.00 0.00 -ATOM 2169 H2 H2O 1 53 2.242 5.847 23.247 0.00 0.00 -ATOM 2170 O1 H2O 2 54 0.269 8.509 23.734 0.00 0.00 -ATOM 2171 H1 H2O 2 54 -0.219 9.356 23.524 0.00 0.00 -ATOM 2172 H2 H2O 2 54 0.814 8.636 24.563 0.00 0.00 -ATOM 2173 O1 H2O 3 55 11.010 10.757 22.848 0.00 0.00 -ATOM 2174 H1 H2O 3 55 12.001 10.787 22.980 0.00 0.00 -ATOM 2175 H2 H2O 3 55 10.805 10.755 21.869 0.00 0.00 -ATOM 2176 O1 H2O 4 56 2.590 0.390 19.950 0.00 0.00 -ATOM 2177 H1 H2O 4 56 3.587 0.323 19.912 0.00 0.00 -ATOM 2178 H2 H2O 4 56 2.321 0.896 20.770 0.00 0.00 -ATOM 2179 O1 H2O 5 57 14.418 23.335 20.223 0.00 0.00 -ATOM 2180 H1 H2O 5 57 15.333 23.120 19.883 0.00 0.00 -ATOM 2181 H2 H2O 5 57 14.245 24.314 20.121 0.00 0.00 -ATOM 2182 O1 H2O 6 58 16.604 23.694 23.628 0.00 0.00 -ATOM 2183 H1 H2O 6 58 17.221 22.945 23.869 0.00 0.00 -ATOM 2184 H2 H2O 6 58 15.754 23.319 23.258 0.00 0.00 -ATOM 2185 O1 H2O 7 59 27.322 18.477 21.129 0.00 0.00 -ATOM 2186 H1 H2O 7 59 26.745 19.021 20.520 0.00 0.00 -ATOM 2187 H2 H2O 7 59 26.748 18.004 21.798 0.00 0.00 -ATOM 2188 O1 H2O 8 60 21.045 10.157 19.892 0.00 0.00 -ATOM 2189 H1 H2O 8 60 21.573 10.967 20.144 0.00 0.00 -ATOM 2190 H2 H2O 8 60 21.659 9.372 19.805 0.00 0.00 -ATOM 2191 O1 H2O 9 61 5.026 1.189 23.587 0.00 0.00 -ATOM 2192 H1 H2O 9 61 4.464 0.371 23.710 0.00 0.00 -ATOM 2193 H2 H2O 9 61 5.993 0.940 23.634 0.00 0.00 -ATOM 2194 O1 H2O 0 62 0.698 14.347 23.150 0.00 0.00 -ATOM 2195 H1 H2O 0 62 -0.083 14.923 23.393 0.00 0.00 -ATOM 2196 H2 H2O 0 62 1.545 14.864 23.276 0.00 0.00 -ATOM 2197 O1 H2O 1 63 7.959 23.533 20.081 0.00 0.00 -ATOM 2198 H1 H2O 1 63 8.309 22.607 19.936 0.00 0.00 -ATOM 2199 H2 H2O 1 63 8.120 24.082 19.260 0.00 0.00 -ATOM 2200 O1 H2O 2 64 18.798 21.938 20.930 0.00 0.00 -ATOM 2201 H1 H2O 2 64 18.068 21.335 20.608 0.00 0.00 -ATOM 2202 H2 H2O 2 64 18.776 21.985 21.928 0.00 0.00 -ATOM 2203 O1 H2O 3 65 21.266 22.693 19.994 0.00 0.00 -ATOM 2204 H1 H2O 3 65 20.363 22.392 20.301 0.00 0.00 -ATOM 2205 H2 H2O 3 65 21.352 23.681 20.127 0.00 0.00 -ATOM 2206 O1 H2O 4 66 0.857 17.535 23.538 0.00 0.00 -ATOM 2207 H1 H2O 4 66 1.727 17.092 23.318 0.00 0.00 -ATOM 2208 H2 H2O 4 66 0.907 18.504 23.298 0.00 0.00 -ATOM 2209 O1 H2O 5 67 11.082 22.920 20.533 0.00 0.00 -ATOM 2210 H1 H2O 5 67 10.637 22.406 21.266 0.00 0.00 -ATOM 2211 H2 H2O 5 67 11.912 22.442 20.247 0.00 0.00 -ATOM 2212 O1 H2O 6 68 15.775 29.106 23.676 0.00 0.00 -ATOM 2213 H1 H2O 6 68 14.923 29.623 23.762 0.00 0.00 -ATOM 2214 H2 H2O 6 68 15.574 28.188 23.334 0.00 0.00 -ATOM 2215 O1 H2O 7 69 25.583 8.581 20.019 0.00 0.00 -ATOM 2216 H1 H2O 7 69 25.266 9.527 20.075 0.00 0.00 -ATOM 2217 H2 H2O 7 69 24.812 7.983 19.800 0.00 0.00 -ATOM 2218 O1 H2O 8 70 13.642 9.498 23.413 0.00 0.00 -ATOM 2219 H1 H2O 8 70 13.287 8.568 23.511 0.00 0.00 -ATOM 2220 H2 H2O 8 70 14.011 9.808 24.289 0.00 0.00 -ATOM 2221 O1 H2O 9 71 19.113 10.930 22.733 0.00 0.00 -ATOM 2222 H1 H2O 9 71 19.402 10.660 21.814 0.00 0.00 -ATOM 2223 H2 H2O 9 71 19.827 11.486 23.157 0.00 0.00 -ATOM 2224 O1 H2O 0 72 2.500 18.251 20.610 0.00 0.00 -ATOM 2225 H1 H2O 0 72 2.887 19.165 20.729 0.00 0.00 -ATOM 2226 H2 H2O 0 72 1.563 18.327 20.269 0.00 0.00 -ATOM 2227 O1 H2O 1 73 11.034 29.639 23.112 0.00 0.00 -ATOM 2228 H1 H2O 1 73 10.519 29.652 23.969 0.00 0.00 -ATOM 2229 H2 H2O 1 73 10.471 29.232 22.392 0.00 0.00 -ATOM 2230 O1 H2O 2 74 23.781 28.236 20.400 0.00 0.00 -ATOM 2231 H1 H2O 2 74 24.613 28.790 20.430 0.00 0.00 -ATOM 2232 H2 H2O 2 74 22.985 28.834 20.310 0.00 0.00 -ATOM 2233 O1 H2O 3 75 20.556 17.499 22.670 0.00 0.00 -ATOM 2234 H1 H2O 3 75 20.039 16.655 22.811 0.00 0.00 -ATOM 2235 H2 H2O 3 75 20.616 17.693 21.691 0.00 0.00 -ATOM 2236 O1 H2O 4 76 22.060 12.710 20.538 0.00 0.00 -ATOM 2237 H1 H2O 4 76 21.788 12.862 21.488 0.00 0.00 -ATOM 2238 H2 H2O 4 76 21.246 12.690 19.957 0.00 0.00 -ATOM 2239 O1 H2O 5 77 9.505 12.374 19.923 0.00 0.00 -ATOM 2240 H1 H2O 5 77 10.078 13.065 20.364 0.00 0.00 -ATOM 2241 H2 H2O 5 77 10.006 11.510 19.871 0.00 0.00 -ATOM 2242 O1 H2O 6 78 27.430 22.058 20.737 0.00 0.00 -ATOM 2243 H1 H2O 6 78 28.343 21.697 20.544 0.00 0.00 -ATOM 2244 H2 H2O 6 78 27.347 22.976 20.351 0.00 0.00 -ATOM 2245 O1 H2O 7 79 8.450 4.714 23.590 0.00 0.00 -ATOM 2246 H1 H2O 7 79 8.453 5.677 23.860 0.00 0.00 -ATOM 2247 H2 H2O 7 79 7.507 4.407 23.462 0.00 0.00 -ATOM 2248 O1 H2O 8 80 6.995 22.233 23.868 0.00 0.00 -ATOM 2249 H1 H2O 8 80 6.818 21.355 23.424 0.00 0.00 -ATOM 2250 H2 H2O 8 80 6.126 22.663 24.113 0.00 0.00 -ATOM 2251 O1 H2O 9 81 28.252 0.049 22.097 0.00 0.00 -ATOM 2252 H1 H2O 9 81 28.578 0.193 21.162 0.00 0.00 -ATOM 2253 H2 H2O 9 81 28.223 0.924 22.579 0.00 0.00 -ATOM 2254 O1 H2O 0 82 23.443 27.256 23.360 0.00 0.00 -ATOM 2255 H1 H2O 0 82 22.612 27.774 23.156 0.00 0.00 -ATOM 2256 H2 H2O 0 82 24.115 27.859 23.789 0.00 0.00 -ATOM 2257 O1 H2O 1 83 17.417 8.799 19.882 0.00 0.00 -ATOM 2258 H1 H2O 1 83 17.724 7.877 20.118 0.00 0.00 -ATOM 2259 H2 H2O 1 83 16.862 9.167 20.628 0.00 0.00 -ATOM 2260 O1 H2O 2 84 29.738 23.988 20.577 0.00 0.00 -ATOM 2261 H1 H2O 2 84 29.767 23.614 21.504 0.00 0.00 -ATOM 2262 H2 H2O 2 84 28.786 24.082 20.285 0.00 0.00 -ATOM 2263 O1 H2O 3 85 27.801 2.809 20.386 0.00 0.00 -ATOM 2264 H1 H2O 3 85 27.112 3.471 20.090 0.00 0.00 -ATOM 2265 H2 H2O 3 85 28.710 3.138 20.131 0.00 0.00 -ATOM 2266 O1 H2O 4 86 10.318 2.367 19.903 0.00 0.00 -ATOM 2267 H1 H2O 4 86 10.869 3.043 20.394 0.00 0.00 -ATOM 2268 H2 H2O 4 86 10.104 2.712 18.989 0.00 0.00 -ATOM 2269 O1 H2O 5 87 -0.088 29.644 19.717 0.00 0.00 -ATOM 2270 H1 H2O 5 87 -0.405 28.828 19.234 0.00 0.00 -ATOM 2271 H2 H2O 5 87 0.880 29.539 19.948 0.00 0.00 -ATOM 2272 O1 H2O 6 88 19.105 15.265 22.464 0.00 0.00 -ATOM 2273 H1 H2O 6 88 19.275 15.472 21.501 0.00 0.00 -ATOM 2274 H2 H2O 6 88 18.124 15.314 22.648 0.00 0.00 -ATOM 2275 O1 H2O 7 89 22.567 15.968 19.828 0.00 0.00 -ATOM 2276 H1 H2O 7 89 22.778 15.134 20.338 0.00 0.00 -ATOM 2277 H2 H2O 7 89 21.805 15.793 19.204 0.00 0.00 -ATOM 2278 O1 H2O 8 90 6.915 12.586 20.528 0.00 0.00 -ATOM 2279 H1 H2O 8 90 6.240 11.914 20.224 0.00 0.00 -ATOM 2280 H2 H2O 8 90 7.827 12.296 20.240 0.00 0.00 -ATOM 2281 O1 H2O 9 91 7.579 20.197 21.061 0.00 0.00 -ATOM 2282 H1 H2O 9 91 7.787 19.436 20.447 0.00 0.00 -ATOM 2283 H2 H2O 9 91 7.253 19.840 21.937 0.00 0.00 -ATOM 2284 O1 H2O 0 92 0.210 15.059 20.119 0.00 0.00 -ATOM 2285 H1 H2O 0 92 0.155 14.651 21.030 0.00 0.00 -ATOM 2286 H2 H2O 0 92 -0.272 14.478 19.463 0.00 0.00 -ATOM 2287 O1 H2O 1 93 0.444 27.677 21.962 0.00 0.00 -ATOM 2288 H1 H2O 1 93 0.082 26.989 22.592 0.00 0.00 -ATOM 2289 H2 H2O 1 93 0.064 28.572 22.192 0.00 0.00 -ATOM 2290 O1 H2O 2 94 24.863 11.129 20.753 0.00 0.00 -ATOM 2291 H1 H2O 2 94 23.972 11.486 20.472 0.00 0.00 -ATOM 2292 H2 H2O 2 94 25.530 11.874 20.771 0.00 0.00 -ATOM 2293 O1 H2O 3 95 24.389 12.428 23.230 0.00 0.00 -ATOM 2294 H1 H2O 3 95 25.312 12.553 23.595 0.00 0.00 -ATOM 2295 H2 H2O 3 95 24.444 12.068 22.299 0.00 0.00 -ATOM 2296 O1 H2O 4 96 5.255 18.145 20.318 0.00 0.00 -ATOM 2297 H1 H2O 4 96 4.490 18.197 19.676 0.00 0.00 -ATOM 2298 H2 H2O 4 96 4.911 18.207 21.254 0.00 0.00 -ATOM 2299 O1 H2O 5 97 7.900 17.923 19.896 0.00 0.00 -ATOM 2300 H1 H2O 5 97 8.126 16.990 19.616 0.00 0.00 -ATOM 2301 H2 H2O 5 97 6.916 18.071 19.798 0.00 0.00 -ATOM 2302 O1 H2O 6 98 7.067 28.823 19.758 0.00 0.00 -ATOM 2303 H1 H2O 6 98 7.448 29.077 18.869 0.00 0.00 -ATOM 2304 H2 H2O 6 98 6.085 29.009 19.765 0.00 0.00 -ATOM 2305 O1 H2O 7 99 20.894 24.830 23.279 0.00 0.00 -ATOM 2306 H1 H2O 7 99 21.530 24.118 23.575 0.00 0.00 -ATOM 2307 H2 H2O 7 99 21.142 25.137 22.360 0.00 0.00 -ATOM 2308 O1 H2O 8 100 13.833 13.338 23.088 0.00 0.00 -ATOM 2309 H1 H2O 8 100 13.824 13.296 22.089 0.00 0.00 -ATOM 2310 H2 H2O 8 100 14.552 12.739 23.441 0.00 0.00 -ATOM 2311 O1 H2O 9 101 22.851 6.002 23.673 0.00 0.00 -ATOM 2312 H1 H2O 9 101 22.206 5.359 23.262 0.00 0.00 -ATOM 2313 H2 H2O 9 101 22.757 5.978 24.669 0.00 0.00 -ATOM 2314 O1 H2O 0 102 11.546 7.613 19.713 0.00 0.00 -ATOM 2315 H1 H2O 0 102 12.512 7.751 19.495 0.00 0.00 -ATOM 2316 H2 H2O 0 102 11.333 6.636 19.679 0.00 0.00 -ATOM 2317 O1 H2O 1 103 5.517 24.168 21.120 0.00 0.00 -ATOM 2318 H1 H2O 1 103 4.756 23.837 20.562 0.00 0.00 -ATOM 2319 H2 H2O 1 103 6.347 24.207 20.564 0.00 0.00 -ATOM 2320 O1 H2O 2 104 8.515 27.955 23.932 0.00 0.00 -ATOM 2321 H1 H2O 2 104 8.235 27.679 23.013 0.00 0.00 -ATOM 2322 H2 H2O 2 104 8.651 27.141 24.498 0.00 0.00 -ATOM 2323 O1 H2O 3 105 23.186 18.303 20.887 0.00 0.00 -ATOM 2324 H1 H2O 3 105 23.220 17.457 20.355 0.00 0.00 -ATOM 2325 H2 H2O 3 105 23.474 18.118 21.826 0.00 0.00 -ATOM 2326 O1 H2O 4 106 5.971 15.936 23.050 0.00 0.00 -ATOM 2327 H1 H2O 4 106 6.214 14.994 23.280 0.00 0.00 -ATOM 2328 H2 H2O 4 106 5.922 16.035 22.056 0.00 0.00 -ATOM 2329 O1 H2O 5 107 1.503 12.466 21.578 0.00 0.00 -ATOM 2330 H1 H2O 5 107 0.758 11.943 21.165 0.00 0.00 -ATOM 2331 H2 H2O 5 107 1.127 13.127 22.227 0.00 0.00 -ATOM 2332 O1 H2O 6 108 7.544 4.895 20.780 0.00 0.00 -ATOM 2333 H1 H2O 6 108 7.676 4.379 19.934 0.00 0.00 -ATOM 2334 H2 H2O 6 108 7.715 4.299 21.564 0.00 0.00 -ATOM 2335 O1 H2O 7 109 13.019 20.866 19.932 0.00 0.00 -ATOM 2336 H1 H2O 7 109 13.424 19.956 20.020 0.00 0.00 -ATOM 2337 H2 H2O 7 109 13.708 21.559 20.142 0.00 0.00 -ATOM 2338 O1 H2O 8 110 16.753 12.237 22.799 0.00 0.00 -ATOM 2339 H1 H2O 8 110 16.794 13.222 22.967 0.00 0.00 -ATOM 2340 H2 H2O 8 110 17.679 11.859 22.805 0.00 0.00 -ATOM 2341 O1 H2O 9 111 22.242 2.185 23.717 0.00 0.00 -ATOM 2342 H1 H2O 9 111 22.301 2.074 24.710 0.00 0.00 -ATOM 2343 H2 H2O 9 111 22.843 1.521 23.272 0.00 0.00 -ATOM 2344 O1 H2O 0 112 9.992 13.277 23.562 0.00 0.00 -ATOM 2345 H1 H2O 0 112 10.496 14.024 23.994 0.00 0.00 -ATOM 2346 H2 H2O 0 112 10.591 12.482 23.464 0.00 0.00 -ATOM 2347 O1 H2O 1 113 13.989 20.295 23.382 0.00 0.00 -ATOM 2348 H1 H2O 1 113 13.231 20.649 23.929 0.00 0.00 -ATOM 2349 H2 H2O 1 113 14.835 20.759 23.645 0.00 0.00 -ATOM 2350 O1 H2O 2 114 2.946 20.932 20.947 0.00 0.00 -ATOM 2351 H1 H2O 2 114 2.908 20.960 21.946 0.00 0.00 -ATOM 2352 H2 H2O 2 114 3.325 21.792 20.604 0.00 0.00 -ATOM 2353 O1 H2O 3 115 13.657 10.953 19.779 0.00 0.00 -ATOM 2354 H1 H2O 3 115 14.578 11.310 19.621 0.00 0.00 -ATOM 2355 H2 H2O 3 115 13.699 9.959 19.881 0.00 0.00 -ATOM 2356 O1 H2O 4 116 19.816 7.583 21.367 0.00 0.00 -ATOM 2357 H1 H2O 4 116 19.235 8.125 21.973 0.00 0.00 -ATOM 2358 H2 H2O 4 116 20.775 7.814 21.531 0.00 0.00 -ATOM 2359 O1 H2O 5 117 3.149 20.926 23.787 0.00 0.00 -ATOM 2360 H1 H2O 5 117 2.457 20.999 24.506 0.00 0.00 -ATOM 2361 H2 H2O 5 117 3.715 21.750 23.785 0.00 0.00 -ATOM 2362 O1 H2O 6 118 10.923 8.011 23.525 0.00 0.00 -ATOM 2363 H1 H2O 6 118 10.967 9.007 23.449 0.00 0.00 -ATOM 2364 H2 H2O 6 118 9.966 7.723 23.576 0.00 0.00 -ATOM 2365 O1 H2O 7 119 16.817 5.859 22.906 0.00 0.00 -ATOM 2366 H1 H2O 7 119 17.597 5.235 22.941 0.00 0.00 -ATOM 2367 H2 H2O 7 119 17.123 6.788 23.115 0.00 0.00 -ATOM 2368 O1 H2O 8 120 8.315 7.484 23.461 0.00 0.00 -ATOM 2369 H1 H2O 8 120 8.111 7.514 22.483 0.00 0.00 -ATOM 2370 H2 H2O 8 120 8.208 8.398 23.853 0.00 0.00 -ATOM 2371 O1 H2O 9 121 5.960 15.213 20.057 0.00 0.00 -ATOM 2372 H1 H2O 9 121 6.087 14.228 20.172 0.00 0.00 -ATOM 2373 H2 H2O 9 121 4.984 15.415 19.974 0.00 0.00 -ATOM 2374 O1 H2O 0 122 18.420 28.633 23.712 0.00 0.00 -ATOM 2375 H1 H2O 0 122 17.459 28.865 23.859 0.00 0.00 -ATOM 2376 H2 H2O 0 122 18.629 27.771 24.173 0.00 0.00 -ATOM 2377 O1 H2O 1 123 20.298 13.117 23.667 0.00 0.00 -ATOM 2378 H1 H2O 1 123 21.033 13.756 23.440 0.00 0.00 -ATOM 2379 H2 H2O 1 123 19.414 13.544 23.476 0.00 0.00 -ATOM 2380 O1 H2O 2 124 13.477 3.777 19.965 0.00 0.00 -ATOM 2381 H1 H2O 2 124 14.155 3.167 20.375 0.00 0.00 -ATOM 2382 H2 H2O 2 124 13.297 3.491 19.024 0.00 0.00 -ATOM 2383 O1 H2O 3 125 15.566 5.948 20.109 0.00 0.00 -ATOM 2384 H1 H2O 3 125 16.109 5.797 20.934 0.00 0.00 -ATOM 2385 H2 H2O 3 125 14.830 5.272 20.065 0.00 0.00 -ATOM 2386 O1 H2O 4 126 26.027 17.432 23.137 0.00 0.00 -ATOM 2387 H1 H2O 4 126 25.056 17.410 23.376 0.00 0.00 -ATOM 2388 H2 H2O 4 126 26.425 18.298 23.438 0.00 0.00 -ATOM 2389 O1 H2O 5 127 17.271 26.206 21.491 0.00 0.00 -ATOM 2390 H1 H2O 5 127 17.877 25.997 22.258 0.00 0.00 -ATOM 2391 H2 H2O 5 127 17.275 25.442 20.845 0.00 0.00 -ATOM 2392 O1 H2O 6 128 5.101 10.550 20.007 0.00 0.00 -ATOM 2393 H1 H2O 6 128 5.076 9.551 19.970 0.00 0.00 -ATOM 2394 H2 H2O 6 128 4.168 10.905 20.065 0.00 0.00 -ATOM 2395 O1 H2O 7 129 13.587 0.723 23.720 0.00 0.00 -ATOM 2396 H1 H2O 7 129 13.718 1.616 23.290 0.00 0.00 -ATOM 2397 H2 H2O 7 129 12.761 0.294 23.354 0.00 0.00 -ATOM 2398 O1 H2O 8 130 7.398 9.441 21.093 0.00 0.00 -ATOM 2399 H1 H2O 8 130 7.536 8.645 20.503 0.00 0.00 -ATOM 2400 H2 H2O 8 130 6.850 10.123 20.609 0.00 0.00 -ATOM 2401 O1 H2O 9 131 14.056 23.440 22.797 0.00 0.00 -ATOM 2402 H1 H2O 9 131 14.090 23.479 21.798 0.00 0.00 -ATOM 2403 H2 H2O 9 131 13.108 23.322 23.094 0.00 0.00 -ATOM 2404 O1 H2O 0 132 25.349 2.954 22.433 0.00 0.00 -ATOM 2405 H1 H2O 0 132 25.781 3.545 21.753 0.00 0.00 -ATOM 2406 H2 H2O 0 132 26.052 2.551 23.020 0.00 0.00 -ATOM 2407 O1 H2O 1 133 27.148 24.420 19.688 0.00 0.00 -ATOM 2408 H1 H2O 1 133 26.352 24.048 19.211 0.00 0.00 -ATOM 2409 H2 H2O 1 133 27.063 25.414 19.753 0.00 0.00 -ATOM 2410 O1 H2O 2 134 8.210 10.362 23.484 0.00 0.00 -ATOM 2411 H1 H2O 2 134 9.013 10.933 23.313 0.00 0.00 -ATOM 2412 H2 H2O 2 134 7.907 9.946 22.627 0.00 0.00 -ATOM 2413 O1 H2O 3 135 4.644 23.455 23.686 0.00 0.00 -ATOM 2414 H1 H2O 3 135 4.381 24.246 24.239 0.00 0.00 -ATOM 2415 H2 H2O 3 135 4.913 23.762 22.773 0.00 0.00 -ATOM 2416 O1 H2O 4 136 18.048 28.715 20.598 0.00 0.00 -ATOM 2417 H1 H2O 4 136 17.241 29.298 20.504 0.00 0.00 -ATOM 2418 H2 H2O 4 136 17.762 27.789 20.846 0.00 0.00 -ATOM 2419 O1 H2O 5 137 22.573 21.141 21.723 0.00 0.00 -ATOM 2420 H1 H2O 5 137 22.594 20.226 21.321 0.00 0.00 -ATOM 2421 H2 H2O 5 137 22.086 21.763 21.110 0.00 0.00 -ATOM 2422 O1 H2O 6 138 0.870 3.900 20.372 0.00 0.00 -ATOM 2423 H1 H2O 6 138 1.832 4.063 20.155 0.00 0.00 -ATOM 2424 H2 H2O 6 138 0.331 4.706 20.127 0.00 0.00 -ATOM 2425 O1 H2O 7 139 11.348 24.439 23.240 0.00 0.00 -ATOM 2426 H1 H2O 7 139 10.559 24.585 22.643 0.00 0.00 -ATOM 2427 H2 H2O 7 139 11.735 25.323 23.504 0.00 0.00 -ATOM 2428 O1 H2O 8 140 3.051 15.717 19.954 0.00 0.00 -ATOM 2429 H1 H2O 8 140 2.157 15.277 19.868 0.00 0.00 -ATOM 2430 H2 H2O 8 140 2.931 16.654 20.284 0.00 0.00 -ATOM 2431 O1 H2O 9 141 23.910 2.491 20.137 0.00 0.00 -ATOM 2432 H1 H2O 9 141 24.152 3.199 19.473 0.00 0.00 -ATOM 2433 H2 H2O 9 141 24.231 2.762 21.044 0.00 0.00 -ATOM 2434 O1 H2O 0 142 28.882 11.602 19.832 0.00 0.00 -ATOM 2435 H1 H2O 0 142 28.707 10.774 20.364 0.00 0.00 -ATOM 2436 H2 H2O 0 142 28.118 11.765 19.208 0.00 0.00 -ATOM 2437 O1 H2O 1 143 14.420 4.607 23.531 0.00 0.00 -ATOM 2438 H1 H2O 1 143 15.352 4.955 23.625 0.00 0.00 -ATOM 2439 H2 H2O 1 143 13.824 5.337 23.195 0.00 0.00 -ATOM 2440 O1 H2O 2 144 8.526 15.211 19.701 0.00 0.00 -ATOM 2441 H1 H2O 2 144 7.546 15.118 19.880 0.00 0.00 -ATOM 2442 H2 H2O 2 144 8.912 14.313 19.492 0.00 0.00 -ATOM 2443 O1 H2O 3 145 14.267 25.999 20.343 0.00 0.00 -ATOM 2444 H1 H2O 3 145 14.446 26.406 19.447 0.00 0.00 -ATOM 2445 H2 H2O 3 145 14.071 26.723 21.004 0.00 0.00 -ATOM 2446 O1 H2O 4 146 15.294 2.579 21.656 0.00 0.00 -ATOM 2447 H1 H2O 4 146 14.865 3.282 22.223 0.00 0.00 -ATOM 2448 H2 H2O 4 146 16.228 2.854 21.432 0.00 0.00 -ATOM 2449 O1 H2O 5 147 18.528 11.231 19.926 0.00 0.00 -ATOM 2450 H1 H2O 5 147 18.264 10.271 19.834 0.00 0.00 -ATOM 2451 H2 H2O 5 147 19.525 11.304 19.934 0.00 0.00 -ATOM 2452 O1 H2O 6 148 4.994 1.113 20.708 0.00 0.00 -ATOM 2453 H1 H2O 6 148 5.957 1.301 20.512 0.00 0.00 -ATOM 2454 H2 H2O 6 148 4.873 0.985 21.693 0.00 0.00 -ATOM 2455 O1 H2O 7 149 26.805 13.133 20.868 0.00 0.00 -ATOM 2456 H1 H2O 7 149 27.659 12.792 20.475 0.00 0.00 -ATOM 2457 H2 H2O 7 149 26.530 13.969 20.393 0.00 0.00 -ATOM 2458 O1 H2O 8 150 3.407 8.440 22.322 0.00 0.00 -ATOM 2459 H1 H2O 8 150 4.269 8.266 22.798 0.00 0.00 -ATOM 2460 H2 H2O 8 150 3.077 9.355 22.554 0.00 0.00 -ATOM 2461 O1 H2O 9 151 2.097 10.550 19.598 0.00 0.00 -ATOM 2462 H1 H2O 9 151 1.951 9.591 19.841 0.00 0.00 -ATOM 2463 H2 H2O 9 151 1.234 11.049 19.677 0.00 0.00 -ATOM 2464 O1 H2O 0 152 15.925 12.257 19.694 0.00 0.00 -ATOM 2465 H1 H2O 0 152 16.826 11.828 19.627 0.00 0.00 -ATOM 2466 H2 H2O 0 152 15.978 13.051 20.299 0.00 0.00 -ATOM 2467 O1 H2O 1 153 27.933 9.400 21.047 0.00 0.00 -ATOM 2468 H1 H2O 1 153 27.044 9.046 20.757 0.00 0.00 -ATOM 2469 H2 H2O 1 153 27.852 9.800 21.960 0.00 0.00 -ATOM 2470 O1 H2O 2 154 27.993 4.681 23.356 0.00 0.00 -ATOM 2471 H1 H2O 2 154 27.448 5.459 23.668 0.00 0.00 -ATOM 2472 H2 H2O 2 154 28.936 4.975 23.200 0.00 0.00 -ATOM 2473 O1 H2O 3 155 4.345 8.092 19.830 0.00 0.00 -ATOM 2474 H1 H2O 3 155 3.837 8.235 20.679 0.00 0.00 -ATOM 2475 H2 H2O 3 155 4.526 7.116 19.709 0.00 0.00 -ATOM 2476 O1 H2O 4 156 4.049 5.060 22.416 0.00 0.00 -ATOM 2477 H1 H2O 4 156 4.416 5.898 22.819 0.00 0.00 -ATOM 2478 H2 H2O 4 156 4.402 4.954 21.486 0.00 0.00 -ATOM 2479 O1 H2O 5 157 8.497 17.464 23.493 0.00 0.00 -ATOM 2480 H1 H2O 5 157 7.906 16.661 23.414 0.00 0.00 -ATOM 2481 H2 H2O 5 157 7.934 18.281 23.621 0.00 0.00 -ATOM 2482 O1 H2O 6 158 11.071 25.683 20.556 0.00 0.00 -ATOM 2483 H1 H2O 6 158 10.852 24.788 20.167 0.00 0.00 -ATOM 2484 H2 H2O 6 158 12.054 25.738 20.730 0.00 0.00 -ATOM 2485 O1 H2O 7 159 22.852 7.918 19.738 0.00 0.00 -ATOM 2486 H1 H2O 7 159 22.946 6.950 19.503 0.00 0.00 -ATOM 2487 H2 H2O 7 159 22.664 8.007 20.716 0.00 0.00 -ATOM 2488 O1 H2O 8 160 23.114 17.237 23.358 0.00 0.00 -ATOM 2489 H1 H2O 8 160 22.920 17.521 24.297 0.00 0.00 -ATOM 2490 H2 H2O 8 160 22.269 17.251 22.824 0.00 0.00 -ATOM 2491 O1 H2O 9 161 2.457 3.336 23.934 0.00 0.00 -ATOM 2492 H1 H2O 9 161 1.987 3.853 24.649 0.00 0.00 -ATOM 2493 H2 H2O 9 161 3.082 3.941 23.441 0.00 0.00 -ATOM 2494 O1 H2O 0 162 1.820 26.376 20.103 0.00 0.00 -ATOM 2495 H1 H2O 0 162 1.177 25.650 19.857 0.00 0.00 -ATOM 2496 H2 H2O 0 162 1.358 27.050 20.679 0.00 0.00 -ATOM 2497 O1 H2O 1 163 9.137 22.129 22.267 0.00 0.00 -ATOM 2498 H1 H2O 1 163 8.680 21.444 21.700 0.00 0.00 -ATOM 2499 H2 H2O 1 163 8.576 22.326 23.070 0.00 0.00 -ATOM 2500 O1 H2O 2 164 27.133 23.397 23.526 0.00 0.00 -ATOM 2501 H1 H2O 2 164 26.749 24.313 23.638 0.00 0.00 -ATOM 2502 H2 H2O 2 164 26.406 22.760 23.270 0.00 0.00 -ATOM 2503 O1 H2O 3 165 7.018 26.888 21.634 0.00 0.00 -ATOM 2504 H1 H2O 3 165 6.895 27.335 20.748 0.00 0.00 -ATOM 2505 H2 H2O 3 165 6.127 26.611 21.993 0.00 0.00 -ATOM 2506 O1 H2O 4 166 10.504 20.088 19.941 0.00 0.00 -ATOM 2507 H1 H2O 4 166 10.001 20.446 19.153 0.00 0.00 -ATOM 2508 H2 H2O 4 166 11.469 20.337 19.861 0.00 0.00 -ATOM 2509 O1 H2O 5 167 21.787 25.245 20.754 0.00 0.00 -ATOM 2510 H1 H2O 5 167 21.589 26.112 20.297 0.00 0.00 -ATOM 2511 H2 H2O 5 167 22.737 24.987 20.583 0.00 0.00 -ATOM 2512 O1 H2O 6 168 14.834 19.115 21.011 0.00 0.00 -ATOM 2513 H1 H2O 6 168 14.498 19.591 21.823 0.00 0.00 -ATOM 2514 H2 H2O 6 168 15.440 18.369 21.288 0.00 0.00 -ATOM 2515 O1 H2O 7 169 0.344 23.002 23.129 0.00 0.00 -ATOM 2516 H1 H2O 7 169 -0.647 22.957 23.251 0.00 0.00 -ATOM 2517 H2 H2O 7 169 0.754 22.135 23.413 0.00 0.00 -ATOM 2518 O1 H2O 8 170 3.003 23.685 19.822 0.00 0.00 -ATOM 2519 H1 H2O 8 170 2.984 24.682 19.741 0.00 0.00 -ATOM 2520 H2 H2O 8 170 2.084 23.350 20.030 0.00 0.00 -ATOM 2521 O1 H2O 9 171 11.044 14.481 21.130 0.00 0.00 -ATOM 2522 H1 H2O 9 171 10.596 15.336 20.866 0.00 0.00 -ATOM 2523 H2 H2O 9 171 10.856 14.291 22.094 0.00 0.00 -ATOM 2524 O1 H2O 0 172 19.549 1.054 19.923 0.00 0.00 -ATOM 2525 H1 H2O 0 172 19.118 0.245 20.321 0.00 0.00 -ATOM 2526 H2 H2O 0 172 19.027 1.869 20.176 0.00 0.00 -ATOM 2527 O1 H2O 1 173 24.513 25.380 20.251 0.00 0.00 -ATOM 2528 H1 H2O 1 173 24.371 26.369 20.204 0.00 0.00 -ATOM 2529 H2 H2O 1 173 24.790 25.128 21.179 0.00 0.00 -ATOM 2530 O1 H2O 2 174 24.437 24.825 23.023 0.00 0.00 -ATOM 2531 H1 H2O 2 174 23.802 24.101 23.293 0.00 0.00 -ATOM 2532 H2 H2O 2 174 24.082 25.710 23.326 0.00 0.00 -ATOM 2533 O1 H2O 3 175 18.111 8.392 23.583 0.00 0.00 -ATOM 2534 H1 H2O 3 175 18.432 8.192 24.509 0.00 0.00 -ATOM 2535 H2 H2O 3 175 18.466 9.281 23.292 0.00 0.00 -ATOM 2536 O1 H2O 4 176 3.318 16.408 23.813 0.00 0.00 -ATOM 2537 H1 H2O 4 176 3.381 16.480 24.809 0.00 0.00 -ATOM 2538 H2 H2O 4 176 4.023 15.783 23.479 0.00 0.00 -ATOM 2539 O1 H2O 5 177 3.623 13.191 20.398 0.00 0.00 -ATOM 2540 H1 H2O 5 177 2.859 12.636 20.726 0.00 0.00 -ATOM 2541 H2 H2O 5 177 3.512 14.132 20.717 0.00 0.00 -ATOM 2542 O1 H2O 6 178 11.187 4.933 20.695 0.00 0.00 -ATOM 2543 H1 H2O 6 178 10.922 4.735 21.639 0.00 0.00 -ATOM 2544 H2 H2O 6 178 12.073 4.513 20.502 0.00 0.00 -ATOM 2545 O1 H2O 7 179 26.597 26.497 22.273 0.00 0.00 -ATOM 2546 H1 H2O 7 179 25.965 26.933 22.913 0.00 0.00 -ATOM 2547 H2 H2O 7 179 27.454 26.284 22.743 0.00 0.00 -ATOM 2548 O1 H2O 8 180 15.126 26.513 23.170 0.00 0.00 -ATOM 2549 H1 H2O 8 180 15.731 26.298 22.403 0.00 0.00 -ATOM 2550 H2 H2O 8 180 14.855 25.666 23.628 0.00 0.00 -ATOM 2551 O1 H2O 9 181 19.423 1.472 23.112 0.00 0.00 -ATOM 2552 H1 H2O 9 181 20.363 1.547 23.442 0.00 0.00 -ATOM 2553 H2 H2O 9 181 19.102 0.532 23.228 0.00 0.00 -ATOM 2554 O1 H2O 0 182 1.399 1.745 21.957 0.00 0.00 -ATOM 2555 H1 H2O 0 182 1.506 2.025 22.911 0.00 0.00 -ATOM 2556 H2 H2O 0 182 1.027 2.506 21.426 0.00 0.00 -ATOM 2557 O1 H2O 1 183 5.246 5.552 19.976 0.00 0.00 -ATOM 2558 H1 H2O 1 183 4.759 4.682 19.907 0.00 0.00 -ATOM 2559 H2 H2O 1 183 6.104 5.416 20.472 0.00 0.00 -ATOM 2560 O1 H2O 2 184 20.995 28.321 22.563 0.00 0.00 -ATOM 2561 H1 H2O 2 184 20.104 28.530 22.965 0.00 0.00 -ATOM 2562 H2 H2O 2 184 20.877 28.076 21.601 0.00 0.00 -ATOM 2563 O1 H2O 3 185 5.919 3.604 23.382 0.00 0.00 -ATOM 2564 H1 H2O 3 185 5.018 3.984 23.172 0.00 0.00 -ATOM 2565 H2 H2O 3 185 5.832 2.628 23.579 0.00 0.00 -ATOM 2566 O1 H2O 4 186 7.403 13.528 23.282 0.00 0.00 -ATOM 2567 H1 H2O 4 186 7.145 12.801 22.646 0.00 0.00 -ATOM 2568 H2 H2O 4 186 8.400 13.590 23.332 0.00 0.00 -ATOM 2569 O1 H2O 5 187 22.054 0.481 20.058 0.00 0.00 -ATOM 2570 H1 H2O 5 187 21.161 0.926 19.988 0.00 0.00 -ATOM 2571 H2 H2O 5 187 22.776 1.171 19.999 0.00 0.00 -ATOM 2572 O1 H2O 6 188 9.714 28.071 21.132 0.00 0.00 -ATOM 2573 H1 H2O 6 188 8.749 28.112 20.873 0.00 0.00 -ATOM 2574 H2 H2O 6 188 10.158 27.317 20.650 0.00 0.00 -ATOM 2575 O1 H2O 7 189 22.618 14.488 23.346 0.00 0.00 -ATOM 2576 H1 H2O 7 189 23.134 15.342 23.415 0.00 0.00 -ATOM 2577 H2 H2O 7 189 23.234 13.713 23.489 0.00 0.00 -ATOM 2578 O1 H2O 8 190 5.311 26.605 23.721 0.00 0.00 -ATOM 2579 H1 H2O 8 190 4.536 25.986 23.592 0.00 0.00 -ATOM 2580 H2 H2O 8 190 5.686 26.483 24.640 0.00 0.00 -ATOM 2581 O1 H2O 9 191 15.810 9.931 21.754 0.00 0.00 -ATOM 2582 H1 H2O 9 191 16.089 10.859 22.003 0.00 0.00 -ATOM 2583 H2 H2O 9 191 14.977 9.689 22.250 0.00 0.00 -ATOM 2584 O1 H2O 0 192 11.559 -0.057 19.980 0.00 0.00 -ATOM 2585 H1 H2O 0 192 10.798 -0.568 20.380 0.00 0.00 -ATOM 2586 H2 H2O 0 192 11.353 0.921 20.006 0.00 0.00 -ATOM 2587 O1 H2O 1 193 25.299 21.791 22.398 0.00 0.00 -ATOM 2588 H1 H2O 1 193 25.850 21.715 21.567 0.00 0.00 -ATOM 2589 H2 H2O 1 193 24.331 21.692 22.166 0.00 0.00 -ATOM 2590 O1 H2O 2 194 14.172 8.299 19.952 0.00 0.00 -ATOM 2591 H1 H2O 2 194 14.788 8.689 20.637 0.00 0.00 -ATOM 2592 H2 H2O 2 194 14.652 7.585 19.442 0.00 0.00 -ATOM 2593 O1 H2O 3 195 6.847 19.479 23.694 0.00 0.00 -ATOM 2594 H1 H2O 3 195 6.728 19.962 24.562 0.00 0.00 -ATOM 2595 H2 H2O 3 195 5.992 19.022 23.447 0.00 0.00 -ATOM 2596 O1 H2O 4 196 21.254 4.289 22.391 0.00 0.00 -ATOM 2597 H1 H2O 4 196 21.613 4.255 21.458 0.00 0.00 -ATOM 2598 H2 H2O 4 196 21.651 3.546 22.929 0.00 0.00 -ATOM 2599 O1 H2O 5 197 18.853 19.230 23.781 0.00 0.00 -ATOM 2600 H1 H2O 5 197 18.061 18.757 24.167 0.00 0.00 -ATOM 2601 H2 H2O 5 197 19.436 18.571 23.306 0.00 0.00 -ATOM 2602 O1 H2O 6 198 18.924 15.891 20.038 0.00 0.00 -ATOM 2603 H1 H2O 6 198 18.177 15.457 19.535 0.00 0.00 -ATOM 2604 H2 H2O 6 198 19.104 16.796 19.651 0.00 0.00 -ATOM 2605 O1 H2O 7 199 25.843 28.979 23.725 0.00 0.00 -ATOM 2606 H1 H2O 7 199 26.558 28.981 23.026 0.00 0.00 -ATOM 2607 H2 H2O 7 199 26.254 29.132 24.624 0.00 0.00 -ATOM 2608 O1 H2O 8 200 7.630 0.766 23.559 0.00 0.00 -ATOM 2609 H1 H2O 8 200 7.891 -0.126 23.929 0.00 0.00 -ATOM 2610 H2 H2O 8 200 8.436 1.356 23.511 0.00 0.00 -ATOM 2611 O1 H2O 9 201 17.747 3.177 20.780 0.00 0.00 -ATOM 2612 H1 H2O 9 201 18.246 3.538 21.568 0.00 0.00 -ATOM 2613 H2 H2O 9 201 18.069 3.627 19.947 0.00 0.00 -ATOM 2614 O1 H2O 0 202 17.178 19.885 19.826 0.00 0.00 -ATOM 2615 H1 H2O 0 202 17.145 20.090 18.848 0.00 0.00 -ATOM 2616 H2 H2O 0 202 16.260 19.654 20.149 0.00 0.00 -ATOM 2617 O1 H2O 1 203 15.684 15.461 20.228 0.00 0.00 -ATOM 2618 H1 H2O 1 203 15.737 16.104 19.464 0.00 0.00 -ATOM 2619 H2 H2O 1 203 14.835 14.936 20.162 0.00 0.00 -ATOM 2620 O1 H2O 2 204 11.056 10.338 20.208 0.00 0.00 -ATOM 2621 H1 H2O 2 204 10.945 9.407 19.859 0.00 0.00 -ATOM 2622 H2 H2O 2 204 11.984 10.658 20.016 0.00 0.00 -ATOM 2623 O1 h2o 1 205 12.448 2.838 22.541 0.00 0.00 -ATOM 2624 H1 h2o 1 205 12.702 3.424 23.310 0.00 0.00 -ATOM 2625 H2 h2o 1 205 13.038 3.039 21.759 0.00 0.00 -ATOM 2626 O1 h2o 2 206 22.592 5.209 20.097 0.00 0.00 -ATOM 2627 H1 h2o 2 206 23.334 5.329 19.438 0.00 0.00 -ATOM 2628 H2 h2o 2 206 21.725 5.477 19.677 0.00 0.00 -ATOM 2629 O1 h2o 3 207 4.436 27.717 20.532 0.00 0.00 -ATOM 2630 H1 h2o 3 207 3.650 27.273 20.101 0.00 0.00 -ATOM 2631 H2 h2o 3 207 4.177 28.044 21.441 0.00 0.00 -ATOM 2632 O1 h2o 4 208 0.850 29.471 24.048 0.00 0.00 -ATOM 2633 H1 h2o 4 208 1.202 30.100 23.356 0.00 0.00 -ATOM 2634 H2 h2o 4 208 -0.116 29.667 24.217 0.00 0.00 -ATOM 2635 O1 h2o 5 209 4.878 12.646 22.749 0.00 0.00 -ATOM 2636 H1 h2o 5 209 4.993 12.856 23.720 0.00 0.00 -ATOM 2637 H2 h2o 5 209 4.156 11.963 22.639 0.00 0.00 -END -REMARK GOMC 4 3000000 -CRYST1 29.472 29.777 26.750 90.00 90.00 90.00 P 1 1 -ATOM 1 C1 TOP 1 1 15.350 15.597 10.050 0.00 1.00 -ATOM 2 C2 TOP 1 1 15.350 15.597 13.400 0.00 1.00 -ATOM 3 C3 TOP 1 1 15.350 15.597 16.750 0.00 1.00 -ATOM 4 C4 TOP 1 1 14.122 17.724 10.050 0.00 1.00 -ATOM 5 C5 TOP 1 1 14.122 17.724 13.400 0.00 1.00 -ATOM 6 C6 TOP 1 1 14.122 17.724 16.750 0.00 1.00 -ATOM 7 C7 TOP 1 1 12.894 19.851 10.050 0.00 1.00 -ATOM 8 C8 TOP 1 1 12.894 19.851 13.400 0.00 1.00 -ATOM 9 C9 TOP 1 1 12.894 19.851 16.750 0.00 1.00 -ATOM 10 CA TOP 1 1 11.666 21.978 10.050 0.00 1.00 -ATOM 11 CB TOP 1 1 11.666 21.978 13.400 0.00 1.00 -ATOM 12 CC TOP 1 1 11.666 21.978 16.750 0.00 1.00 -ATOM 13 CD TOP 1 1 10.438 24.105 10.050 0.00 1.00 -ATOM 14 CE TOP 1 1 10.438 24.105 13.400 0.00 1.00 -ATOM 15 CF TOP 1 1 10.438 24.105 16.750 0.00 1.00 -ATOM 16 CG TOP 1 1 9.210 26.232 10.050 0.00 1.00 -ATOM 17 CH TOP 1 1 9.210 26.232 13.400 0.00 1.00 -ATOM 18 CI TOP 1 1 9.210 26.232 16.750 0.00 1.00 -ATOM 19 CJ TOP 1 1 7.982 28.359 10.050 0.00 1.00 -ATOM 20 CK TOP 1 1 7.982 28.359 13.400 0.00 1.00 -ATOM 21 CL TOP 1 1 7.982 28.359 16.750 0.00 1.00 -ATOM 22 CM TOP 1 1 6.754 0.709 10.050 0.00 1.00 -ATOM 23 CN TOP 1 1 6.754 0.709 13.400 0.00 1.00 -ATOM 24 CO TOP 1 1 6.754 0.709 16.750 0.00 1.00 -ATOM 25 CP TOP 1 1 5.526 2.836 10.050 0.00 1.00 -ATOM 26 CQ TOP 1 1 5.526 2.836 13.400 0.00 1.00 -ATOM 27 CR TOP 1 1 5.526 2.836 16.750 0.00 1.00 -ATOM 28 CS TOP 1 1 4.298 4.963 10.050 0.00 1.00 -ATOM 29 CT TOP 1 1 4.298 4.963 13.400 0.00 1.00 -ATOM 30 CU TOP 1 1 4.298 4.963 16.750 0.00 1.00 -ATOM 31 CV TOP 1 1 3.070 7.090 10.050 0.00 1.00 -ATOM 32 CW TOP 1 1 3.070 7.090 13.400 0.00 1.00 -ATOM 33 CX TOP 1 1 3.070 7.090 16.750 0.00 1.00 -ATOM 34 CY TOP 1 1 1.842 9.217 10.050 0.00 1.00 -ATOM 35 CZ TOP 1 1 1.842 9.217 13.400 0.00 1.00 -ATOM 36 Ca TOP 1 1 1.842 9.217 16.750 0.00 1.00 -ATOM 37 Cb TOP 1 1 0.614 11.344 10.050 0.00 1.00 -ATOM 38 Cc TOP 1 1 0.614 11.344 13.400 0.00 1.00 -ATOM 39 Cd TOP 1 1 0.614 11.344 16.750 0.00 1.00 -ATOM 40 Ce TOP 1 1 28.858 13.471 10.050 0.00 1.00 -ATOM 41 Cf TOP 1 1 28.858 13.471 13.400 0.00 1.00 -ATOM 42 Cg TOP 1 1 28.858 13.471 16.750 0.00 1.00 -ATOM 43 Ch TOP 1 1 17.806 15.597 10.050 0.00 1.00 -ATOM 44 Ci TOP 1 1 17.806 15.597 13.400 0.00 1.00 -ATOM 45 Cj TOP 1 1 17.806 15.597 16.750 0.00 1.00 -ATOM 46 Ck TOP 1 1 16.578 17.724 10.050 0.00 1.00 -ATOM 47 Cl TOP 1 1 16.578 17.724 13.400 0.00 1.00 -ATOM 48 Cm TOP 1 1 16.578 17.724 16.750 0.00 1.00 -ATOM 49 Cn TOP 1 1 15.350 19.851 10.050 0.00 1.00 -ATOM 50 Co TOP 1 1 15.350 19.851 13.400 0.00 1.00 -ATOM 51 Cp TOP 1 1 15.350 19.851 16.750 0.00 1.00 -ATOM 52 Cq TOP 1 1 14.122 21.978 10.050 0.00 1.00 -ATOM 53 Cr TOP 1 1 14.122 21.978 13.400 0.00 1.00 -ATOM 54 Cs TOP 1 1 14.122 21.978 16.750 0.00 1.00 -ATOM 55 Ct TOP 1 1 12.894 24.105 10.050 0.00 1.00 -ATOM 56 Cu TOP 1 1 12.894 24.105 13.400 0.00 1.00 -ATOM 57 Cv TOP 1 1 12.894 24.105 16.750 0.00 1.00 -ATOM 58 Cw TOP 1 1 11.666 26.232 10.050 0.00 1.00 -ATOM 59 Cx TOP 1 1 11.666 26.232 13.400 0.00 1.00 -ATOM 60 Cy TOP 1 1 11.666 26.232 16.750 0.00 1.00 -ATOM 61 Cz TOP 1 1 10.438 28.359 10.050 0.00 1.00 -ATOM 62 C10 TOP 1 1 10.438 28.359 13.400 0.00 1.00 -ATOM 63 C11 TOP 1 1 10.438 28.359 16.750 0.00 1.00 -ATOM 64 C12 TOP 1 1 9.210 0.709 10.050 0.00 1.00 -ATOM 65 C13 TOP 1 1 9.210 0.709 13.400 0.00 1.00 -ATOM 66 C14 TOP 1 1 9.210 0.709 16.750 0.00 1.00 -ATOM 67 C15 TOP 1 1 7.982 2.836 10.050 0.00 1.00 -ATOM 68 C16 TOP 1 1 7.982 2.836 13.400 0.00 1.00 -ATOM 69 C17 TOP 1 1 7.982 2.836 16.750 0.00 1.00 -ATOM 70 C18 TOP 1 1 6.754 4.963 10.050 0.00 1.00 -ATOM 71 C19 TOP 1 1 6.754 4.963 13.400 0.00 1.00 -ATOM 72 C1A TOP 1 1 6.754 4.963 16.750 0.00 1.00 -ATOM 73 C1B TOP 1 1 5.526 7.090 10.050 0.00 1.00 -ATOM 74 C1C TOP 1 1 5.526 7.090 13.400 0.00 1.00 -ATOM 75 C1D TOP 1 1 5.526 7.090 16.750 0.00 1.00 -ATOM 76 C1E TOP 1 1 4.298 9.217 10.050 0.00 1.00 -ATOM 77 C1F TOP 1 1 4.298 9.217 13.400 0.00 1.00 -ATOM 78 C1G TOP 1 1 4.298 9.217 16.750 0.00 1.00 -ATOM 79 C1H TOP 1 1 3.070 11.344 10.050 0.00 1.00 -ATOM 80 C1I TOP 1 1 3.070 11.344 13.400 0.00 1.00 -ATOM 81 C1J TOP 1 1 3.070 11.344 16.750 0.00 1.00 -ATOM 82 C1K TOP 1 1 1.842 13.471 10.050 0.00 1.00 -ATOM 83 C1L TOP 1 1 1.842 13.471 13.400 0.00 1.00 -ATOM 84 C1M TOP 1 1 1.842 13.471 16.750 0.00 1.00 -ATOM 85 C1N TOP 1 1 20.262 15.597 10.050 0.00 1.00 -ATOM 86 C1O TOP 1 1 20.262 15.597 13.400 0.00 1.00 -ATOM 87 C1P TOP 1 1 20.262 15.597 16.750 0.00 1.00 -ATOM 88 C1Q TOP 1 1 19.034 17.724 10.050 0.00 1.00 -ATOM 89 C1R TOP 1 1 19.034 17.724 13.400 0.00 1.00 -ATOM 90 C1S TOP 1 1 19.034 17.724 16.750 0.00 1.00 -ATOM 91 C1T TOP 1 1 17.806 19.851 10.050 0.00 1.00 -ATOM 92 C1U TOP 1 1 17.806 19.851 13.400 0.00 1.00 -ATOM 93 C1V TOP 1 1 17.806 19.851 16.750 0.00 1.00 -ATOM 94 C1W TOP 1 1 16.578 21.978 10.050 0.00 1.00 -ATOM 95 C1X TOP 1 1 16.578 21.978 13.400 0.00 1.00 -ATOM 96 C1Y TOP 1 1 16.578 21.978 16.750 0.00 1.00 -ATOM 97 C1Z TOP 1 1 15.350 24.105 10.050 0.00 1.00 -ATOM 98 C1a TOP 1 1 15.350 24.105 13.400 0.00 1.00 -ATOM 99 C1b TOP 1 1 15.350 24.105 16.750 0.00 1.00 -ATOM 100 C1c TOP 1 1 14.122 26.232 10.050 0.00 1.00 -ATOM 101 C1d TOP 1 1 14.122 26.232 13.400 0.00 1.00 -ATOM 102 C1e TOP 1 1 14.122 26.232 16.750 0.00 1.00 -ATOM 103 C1f TOP 1 1 12.894 28.359 10.050 0.00 1.00 -ATOM 104 C1g TOP 1 1 12.894 28.359 13.400 0.00 1.00 -ATOM 105 C1h TOP 1 1 12.894 28.359 16.750 0.00 1.00 -ATOM 106 C1i TOP 1 1 11.666 0.709 10.050 0.00 1.00 -ATOM 107 C1j TOP 1 1 11.666 0.709 13.400 0.00 1.00 -ATOM 108 C1k TOP 1 1 11.666 0.709 16.750 0.00 1.00 -ATOM 109 C1l TOP 1 1 10.438 2.836 10.050 0.00 1.00 -ATOM 110 C1m TOP 1 1 10.438 2.836 13.400 0.00 1.00 -ATOM 111 C1n TOP 1 1 10.438 2.836 16.750 0.00 1.00 -ATOM 112 C1o TOP 1 1 9.210 4.963 10.050 0.00 1.00 -ATOM 113 C1p TOP 1 1 9.210 4.963 13.400 0.00 1.00 -ATOM 114 C1q TOP 1 1 9.210 4.963 16.750 0.00 1.00 -ATOM 115 C1r TOP 1 1 7.982 7.090 10.050 0.00 1.00 -ATOM 116 C1s TOP 1 1 7.982 7.090 13.400 0.00 1.00 -ATOM 117 C1t TOP 1 1 7.982 7.090 16.750 0.00 1.00 -ATOM 118 C1u TOP 1 1 6.754 9.217 10.050 0.00 1.00 -ATOM 119 C1v TOP 1 1 6.754 9.217 13.400 0.00 1.00 -ATOM 120 C1w TOP 1 1 6.754 9.217 16.750 0.00 1.00 -ATOM 121 C1x TOP 1 1 5.526 11.344 10.050 0.00 1.00 -ATOM 122 C1y TOP 1 1 5.526 11.344 13.400 0.00 1.00 -ATOM 123 C1z TOP 1 1 5.526 11.344 16.750 0.00 1.00 -ATOM 124 C20 TOP 1 1 4.298 13.471 10.050 0.00 1.00 -ATOM 125 C21 TOP 1 1 4.298 13.471 13.400 0.00 1.00 -ATOM 126 C22 TOP 1 1 4.298 13.471 16.750 0.00 1.00 -ATOM 127 C23 TOP 1 1 22.718 15.597 10.050 0.00 1.00 -ATOM 128 C24 TOP 1 1 22.718 15.597 13.400 0.00 1.00 -ATOM 129 C25 TOP 1 1 22.718 15.597 16.750 0.00 1.00 -ATOM 130 C26 TOP 1 1 21.490 17.724 10.050 0.00 1.00 -ATOM 131 C27 TOP 1 1 21.490 17.724 13.400 0.00 1.00 -ATOM 132 C28 TOP 1 1 21.490 17.724 16.750 0.00 1.00 -ATOM 133 C29 TOP 1 1 20.262 19.851 10.050 0.00 1.00 -ATOM 134 C2A TOP 1 1 20.262 19.851 13.400 0.00 1.00 -ATOM 135 C2B TOP 1 1 20.262 19.851 16.750 0.00 1.00 -ATOM 136 C2C TOP 1 1 19.034 21.978 10.050 0.00 1.00 -ATOM 137 C2D TOP 1 1 19.034 21.978 13.400 0.00 1.00 -ATOM 138 C2E TOP 1 1 19.034 21.978 16.750 0.00 1.00 -ATOM 139 C2F TOP 1 1 17.806 24.105 10.050 0.00 1.00 -ATOM 140 C2G TOP 1 1 17.806 24.105 13.400 0.00 1.00 -ATOM 141 C2H TOP 1 1 17.806 24.105 16.750 0.00 1.00 -ATOM 142 C2I TOP 1 1 16.578 26.232 10.050 0.00 1.00 -ATOM 143 C2J TOP 1 1 16.578 26.232 13.400 0.00 1.00 -ATOM 144 C2K TOP 1 1 16.578 26.232 16.750 0.00 1.00 -ATOM 145 C2L TOP 1 1 15.350 28.359 10.050 0.00 1.00 -ATOM 146 C2M TOP 1 1 15.350 28.359 13.400 0.00 1.00 -ATOM 147 C2N TOP 1 1 15.350 28.359 16.750 0.00 1.00 -ATOM 148 C2O TOP 1 1 14.122 0.709 10.050 0.00 1.00 -ATOM 149 C2P TOP 1 1 14.122 0.709 13.400 0.00 1.00 -ATOM 150 C2Q TOP 1 1 14.122 0.709 16.750 0.00 1.00 -ATOM 151 C2R TOP 1 1 12.894 2.836 10.050 0.00 1.00 -ATOM 152 C2S TOP 1 1 12.894 2.836 13.400 0.00 1.00 -ATOM 153 C2T TOP 1 1 12.894 2.836 16.750 0.00 1.00 -ATOM 154 C2U TOP 1 1 11.666 4.963 10.050 0.00 1.00 -ATOM 155 C2V TOP 1 1 11.666 4.963 13.400 0.00 1.00 -ATOM 156 C2W TOP 1 1 11.666 4.963 16.750 0.00 1.00 -ATOM 157 C2X TOP 1 1 10.438 7.090 10.050 0.00 1.00 -ATOM 158 C2Y TOP 1 1 10.438 7.090 13.400 0.00 1.00 -ATOM 159 C2Z TOP 1 1 10.438 7.090 16.750 0.00 1.00 -ATOM 160 C2a TOP 1 1 9.210 9.217 10.050 0.00 1.00 -ATOM 161 C2b TOP 1 1 9.210 9.217 13.400 0.00 1.00 -ATOM 162 C2c TOP 1 1 9.210 9.217 16.750 0.00 1.00 -ATOM 163 C2d TOP 1 1 7.982 11.344 10.050 0.00 1.00 -ATOM 164 C2e TOP 1 1 7.982 11.344 13.400 0.00 1.00 -ATOM 165 C2f TOP 1 1 7.982 11.344 16.750 0.00 1.00 -ATOM 166 C2g TOP 1 1 6.754 13.471 10.050 0.00 1.00 -ATOM 167 C2h TOP 1 1 6.754 13.471 13.400 0.00 1.00 -ATOM 168 C2i TOP 1 1 6.754 13.471 16.750 0.00 1.00 -ATOM 169 C2j TOP 1 1 25.174 15.597 10.050 0.00 1.00 -ATOM 170 C2k TOP 1 1 25.174 15.597 13.400 0.00 1.00 -ATOM 171 C2l TOP 1 1 25.174 15.597 16.750 0.00 1.00 -ATOM 172 C2m TOP 1 1 23.946 17.724 10.050 0.00 1.00 -ATOM 173 C2n TOP 1 1 23.946 17.724 13.400 0.00 1.00 -ATOM 174 C2o TOP 1 1 23.946 17.724 16.750 0.00 1.00 -ATOM 175 C2p TOP 1 1 22.718 19.851 10.050 0.00 1.00 -ATOM 176 C2q TOP 1 1 22.718 19.851 13.400 0.00 1.00 -ATOM 177 C2r TOP 1 1 22.718 19.851 16.750 0.00 1.00 -ATOM 178 C2s TOP 1 1 21.490 21.978 10.050 0.00 1.00 -ATOM 179 C2t TOP 1 1 21.490 21.978 13.400 0.00 1.00 -ATOM 180 C2u TOP 1 1 21.490 21.978 16.750 0.00 1.00 -ATOM 181 C2v TOP 1 1 20.262 24.105 10.050 0.00 1.00 -ATOM 182 C2w TOP 1 1 20.262 24.105 13.400 0.00 1.00 -ATOM 183 C2x TOP 1 1 20.262 24.105 16.750 0.00 1.00 -ATOM 184 C2y TOP 1 1 19.034 26.232 10.050 0.00 1.00 -ATOM 185 C2z TOP 1 1 19.034 26.232 13.400 0.00 1.00 -ATOM 186 C30 TOP 1 1 19.034 26.232 16.750 0.00 1.00 -ATOM 187 C31 TOP 1 1 17.806 28.359 10.050 0.00 1.00 -ATOM 188 C32 TOP 1 1 17.806 28.359 13.400 0.00 1.00 -ATOM 189 C33 TOP 1 1 17.806 28.359 16.750 0.00 1.00 -ATOM 190 C34 TOP 1 1 16.578 0.709 10.050 0.00 1.00 -ATOM 191 C35 TOP 1 1 16.578 0.709 13.400 0.00 1.00 -ATOM 192 C36 TOP 1 1 16.578 0.709 16.750 0.00 1.00 -ATOM 193 C37 TOP 1 1 15.350 2.836 10.050 0.00 1.00 -ATOM 194 C38 TOP 1 1 15.350 2.836 13.400 0.00 1.00 -ATOM 195 C39 TOP 1 1 15.350 2.836 16.750 0.00 1.00 -ATOM 196 C3A TOP 1 1 14.122 4.963 10.050 0.00 1.00 -ATOM 197 C3B TOP 1 1 14.122 4.963 13.400 0.00 1.00 -ATOM 198 C3C TOP 1 1 14.122 4.963 16.750 0.00 1.00 -ATOM 199 C3D TOP 1 1 12.894 7.090 10.050 0.00 1.00 -ATOM 200 C3E TOP 1 1 12.894 7.090 13.400 0.00 1.00 -ATOM 201 C3F TOP 1 1 12.894 7.090 16.750 0.00 1.00 -ATOM 202 C3G TOP 1 1 11.666 9.217 10.050 0.00 1.00 -ATOM 203 C3H TOP 1 1 11.666 9.217 13.400 0.00 1.00 -ATOM 204 C3I TOP 1 1 11.666 9.217 16.750 0.00 1.00 -ATOM 205 C3J TOP 1 1 10.438 11.344 10.050 0.00 1.00 -ATOM 206 C3K TOP 1 1 10.438 11.344 13.400 0.00 1.00 -ATOM 207 C3L TOP 1 1 10.438 11.344 16.750 0.00 1.00 -ATOM 208 C3M TOP 1 1 9.210 13.471 10.050 0.00 1.00 -ATOM 209 C3N TOP 1 1 9.210 13.471 13.400 0.00 1.00 -ATOM 210 C3O TOP 1 1 9.210 13.471 16.750 0.00 1.00 -ATOM 211 C3P TOP 1 1 27.630 15.597 10.050 0.00 1.00 -ATOM 212 C3Q TOP 1 1 27.630 15.597 13.400 0.00 1.00 -ATOM 213 C3R TOP 1 1 27.630 15.597 16.750 0.00 1.00 -ATOM 214 C3S TOP 1 1 26.402 17.724 10.050 0.00 1.00 -ATOM 215 C3T TOP 1 1 26.402 17.724 13.400 0.00 1.00 -ATOM 216 C3U TOP 1 1 26.402 17.724 16.750 0.00 1.00 -ATOM 217 C3V TOP 1 1 25.174 19.851 10.050 0.00 1.00 -ATOM 218 C3W TOP 1 1 25.174 19.851 13.400 0.00 1.00 -ATOM 219 C3X TOP 1 1 25.174 19.851 16.750 0.00 1.00 -ATOM 220 C3Y TOP 1 1 23.946 21.978 10.050 0.00 1.00 -ATOM 221 C3Z TOP 1 1 23.946 21.978 13.400 0.00 1.00 -ATOM 222 C3a TOP 1 1 23.946 21.978 16.750 0.00 1.00 -ATOM 223 C3b TOP 1 1 22.718 24.105 10.050 0.00 1.00 -ATOM 224 C3c TOP 1 1 22.718 24.105 13.400 0.00 1.00 -ATOM 225 C3d TOP 1 1 22.718 24.105 16.750 0.00 1.00 -ATOM 226 C3e TOP 1 1 21.490 26.232 10.050 0.00 1.00 -ATOM 227 C3f TOP 1 1 21.490 26.232 13.400 0.00 1.00 -ATOM 228 C3g TOP 1 1 21.490 26.232 16.750 0.00 1.00 -ATOM 229 C3h TOP 1 1 20.262 28.359 10.050 0.00 1.00 -ATOM 230 C3i TOP 1 1 20.262 28.359 13.400 0.00 1.00 -ATOM 231 C3j TOP 1 1 20.262 28.359 16.750 0.00 1.00 -ATOM 232 C3k TOP 1 1 19.034 0.709 10.050 0.00 1.00 -ATOM 233 C3l TOP 1 1 19.034 0.709 13.400 0.00 1.00 -ATOM 234 C3m TOP 1 1 19.034 0.709 16.750 0.00 1.00 -ATOM 235 C3n TOP 1 1 17.806 2.836 10.050 0.00 1.00 -ATOM 236 C3o TOP 1 1 17.806 2.836 13.400 0.00 1.00 -ATOM 237 C3p TOP 1 1 17.806 2.836 16.750 0.00 1.00 -ATOM 238 C3q TOP 1 1 16.578 4.963 10.050 0.00 1.00 -ATOM 239 C3r TOP 1 1 16.578 4.963 13.400 0.00 1.00 -ATOM 240 C3s TOP 1 1 16.578 4.963 16.750 0.00 1.00 -ATOM 241 C3t TOP 1 1 15.350 7.090 10.050 0.00 1.00 -ATOM 242 C3u TOP 1 1 15.350 7.090 13.400 0.00 1.00 -ATOM 243 C3v TOP 1 1 15.350 7.090 16.750 0.00 1.00 -ATOM 244 C3w TOP 1 1 14.122 9.217 10.050 0.00 1.00 -ATOM 245 C3x TOP 1 1 14.122 9.217 13.400 0.00 1.00 -ATOM 246 C3y TOP 1 1 14.122 9.217 16.750 0.00 1.00 -ATOM 247 C3z TOP 1 1 12.894 11.344 10.050 0.00 1.00 -ATOM 248 C40 TOP 1 1 12.894 11.344 13.400 0.00 1.00 -ATOM 249 C41 TOP 1 1 12.894 11.344 16.750 0.00 1.00 -ATOM 250 C42 TOP 1 1 11.666 13.471 10.050 0.00 1.00 -ATOM 251 C43 TOP 1 1 11.666 13.471 13.400 0.00 1.00 -ATOM 252 C44 TOP 1 1 11.666 13.471 16.750 0.00 1.00 -ATOM 253 C45 TOP 1 1 0.614 15.597 10.050 0.00 1.00 -ATOM 254 C46 TOP 1 1 0.614 15.597 13.400 0.00 1.00 -ATOM 255 C47 TOP 1 1 0.614 15.597 16.750 0.00 1.00 -ATOM 256 C48 TOP 1 1 28.858 17.724 10.050 0.00 1.00 -ATOM 257 C49 TOP 1 1 28.858 17.724 13.400 0.00 1.00 -ATOM 258 C4A TOP 1 1 28.858 17.724 16.750 0.00 1.00 -ATOM 259 C4B TOP 1 1 27.630 19.851 10.050 0.00 1.00 -ATOM 260 C4C TOP 1 1 27.630 19.851 13.400 0.00 1.00 -ATOM 261 C4D TOP 1 1 27.630 19.851 16.750 0.00 1.00 -ATOM 262 C4E TOP 1 1 26.402 21.978 10.050 0.00 1.00 -ATOM 263 C4F TOP 1 1 26.402 21.978 13.400 0.00 1.00 -ATOM 264 C4G TOP 1 1 26.402 21.978 16.750 0.00 1.00 -ATOM 265 C4H TOP 1 1 25.174 24.105 10.050 0.00 1.00 -ATOM 266 C4I TOP 1 1 25.174 24.105 13.400 0.00 1.00 -ATOM 267 C4J TOP 1 1 25.174 24.105 16.750 0.00 1.00 -ATOM 268 C4K TOP 1 1 23.946 26.232 10.050 0.00 1.00 -ATOM 269 C4L TOP 1 1 23.946 26.232 13.400 0.00 1.00 -ATOM 270 C4M TOP 1 1 23.946 26.232 16.750 0.00 1.00 -ATOM 271 C4N TOP 1 1 22.718 28.359 10.050 0.00 1.00 -ATOM 272 C4O TOP 1 1 22.718 28.359 13.400 0.00 1.00 -ATOM 273 C4P TOP 1 1 22.718 28.359 16.750 0.00 1.00 -ATOM 274 C4Q TOP 1 1 21.490 0.709 10.050 0.00 1.00 -ATOM 275 C4R TOP 1 1 21.490 0.709 13.400 0.00 1.00 -ATOM 276 C4S TOP 1 1 21.490 0.709 16.750 0.00 1.00 -ATOM 277 C4T TOP 1 1 20.262 2.836 10.050 0.00 1.00 -ATOM 278 C4U TOP 1 1 20.262 2.836 13.400 0.00 1.00 -ATOM 279 C4V TOP 1 1 20.262 2.836 16.750 0.00 1.00 -ATOM 280 C4W TOP 1 1 19.034 4.963 10.050 0.00 1.00 -ATOM 281 C4X TOP 1 1 19.034 4.963 13.400 0.00 1.00 -ATOM 282 C4Y TOP 1 1 19.034 4.963 16.750 0.00 1.00 -ATOM 283 C4Z TOP 1 1 17.806 7.090 10.050 0.00 1.00 -ATOM 284 C4a TOP 1 1 17.806 7.090 13.400 0.00 1.00 -ATOM 285 C4b TOP 1 1 17.806 7.090 16.750 0.00 1.00 -ATOM 286 C4c TOP 1 1 16.578 9.217 10.050 0.00 1.00 -ATOM 287 C4d TOP 1 1 16.578 9.217 13.400 0.00 1.00 -ATOM 288 C4e TOP 1 1 16.578 9.217 16.750 0.00 1.00 -ATOM 289 C4f TOP 1 1 15.350 11.344 10.050 0.00 1.00 -ATOM 290 C4g TOP 1 1 15.350 11.344 13.400 0.00 1.00 -ATOM 291 C4h TOP 1 1 15.350 11.344 16.750 0.00 1.00 -ATOM 292 C4i TOP 1 1 14.122 13.471 10.050 0.00 1.00 -ATOM 293 C4j TOP 1 1 14.122 13.471 13.400 0.00 1.00 -ATOM 294 C4k TOP 1 1 14.122 13.471 16.750 0.00 1.00 -ATOM 295 C4l TOP 1 1 3.070 15.597 10.050 0.00 1.00 -ATOM 296 C4m TOP 1 1 3.070 15.597 13.400 0.00 1.00 -ATOM 297 C4n TOP 1 1 3.070 15.597 16.750 0.00 1.00 -ATOM 298 C4o TOP 1 1 1.842 17.724 10.050 0.00 1.00 -ATOM 299 C4p TOP 1 1 1.842 17.724 13.400 0.00 1.00 -ATOM 300 C4q TOP 1 1 1.842 17.724 16.750 0.00 1.00 -ATOM 301 C4r TOP 1 1 0.614 19.851 10.050 0.00 1.00 -ATOM 302 C4s TOP 1 1 0.614 19.851 13.400 0.00 1.00 -ATOM 303 C4t TOP 1 1 0.614 19.851 16.750 0.00 1.00 -ATOM 304 C4u TOP 1 1 28.858 21.978 10.050 0.00 1.00 -ATOM 305 C4v TOP 1 1 28.858 21.978 13.400 0.00 1.00 -ATOM 306 C4w TOP 1 1 28.858 21.978 16.750 0.00 1.00 -ATOM 307 C4x TOP 1 1 27.630 24.105 10.050 0.00 1.00 -ATOM 308 C4y TOP 1 1 27.630 24.105 13.400 0.00 1.00 -ATOM 309 C4z TOP 1 1 27.630 24.105 16.750 0.00 1.00 -ATOM 310 C50 TOP 1 1 26.402 26.232 10.050 0.00 1.00 -ATOM 311 C51 TOP 1 1 26.402 26.232 13.400 0.00 1.00 -ATOM 312 C52 TOP 1 1 26.402 26.232 16.750 0.00 1.00 -ATOM 313 C53 TOP 1 1 25.174 28.359 10.050 0.00 1.00 -ATOM 314 C54 TOP 1 1 25.174 28.359 13.400 0.00 1.00 -ATOM 315 C55 TOP 1 1 25.174 28.359 16.750 0.00 1.00 -ATOM 316 C56 TOP 1 1 23.946 0.709 10.050 0.00 1.00 -ATOM 317 C57 TOP 1 1 23.946 0.709 13.400 0.00 1.00 -ATOM 318 C58 TOP 1 1 23.946 0.709 16.750 0.00 1.00 -ATOM 319 C59 TOP 1 1 22.718 2.836 10.050 0.00 1.00 -ATOM 320 C5A TOP 1 1 22.718 2.836 13.400 0.00 1.00 -ATOM 321 C5B TOP 1 1 22.718 2.836 16.750 0.00 1.00 -ATOM 322 C5C TOP 1 1 21.490 4.963 10.050 0.00 1.00 -ATOM 323 C5D TOP 1 1 21.490 4.963 13.400 0.00 1.00 -ATOM 324 C5E TOP 1 1 21.490 4.963 16.750 0.00 1.00 -ATOM 325 C5F TOP 1 1 20.262 7.090 10.050 0.00 1.00 -ATOM 326 C5G TOP 1 1 20.262 7.090 13.400 0.00 1.00 -ATOM 327 C5H TOP 1 1 20.262 7.090 16.750 0.00 1.00 -ATOM 328 C5I TOP 1 1 19.034 9.217 10.050 0.00 1.00 -ATOM 329 C5J TOP 1 1 19.034 9.217 13.400 0.00 1.00 -ATOM 330 C5K TOP 1 1 19.034 9.217 16.750 0.00 1.00 -ATOM 331 C5L TOP 1 1 17.806 11.344 10.050 0.00 1.00 -ATOM 332 C5M TOP 1 1 17.806 11.344 13.400 0.00 1.00 -ATOM 333 C5N TOP 1 1 17.806 11.344 16.750 0.00 1.00 -ATOM 334 C5O TOP 1 1 16.578 13.471 10.050 0.00 1.00 -ATOM 335 C5P TOP 1 1 16.578 13.471 13.400 0.00 1.00 -ATOM 336 C5Q TOP 1 1 16.578 13.471 16.750 0.00 1.00 -ATOM 337 C5R TOP 1 1 5.526 15.597 10.050 0.00 1.00 -ATOM 338 C5S TOP 1 1 5.526 15.597 13.400 0.00 1.00 -ATOM 339 C5T TOP 1 1 5.526 15.597 16.750 0.00 1.00 -ATOM 340 C5U TOP 1 1 4.298 17.724 10.050 0.00 1.00 -ATOM 341 C5V TOP 1 1 4.298 17.724 13.400 0.00 1.00 -ATOM 342 C5W TOP 1 1 4.298 17.724 16.750 0.00 1.00 -ATOM 343 C5X TOP 1 1 3.070 19.851 10.050 0.00 1.00 -ATOM 344 C5Y TOP 1 1 3.070 19.851 13.400 0.00 1.00 -ATOM 345 C5Z TOP 1 1 3.070 19.851 16.750 0.00 1.00 -ATOM 346 C5a TOP 1 1 1.842 21.978 10.050 0.00 1.00 -ATOM 347 C5b TOP 1 1 1.842 21.978 13.400 0.00 1.00 -ATOM 348 C5c TOP 1 1 1.842 21.978 16.750 0.00 1.00 -ATOM 349 C5d TOP 1 1 0.614 24.105 10.050 0.00 1.00 -ATOM 350 C5e TOP 1 1 0.614 24.105 13.400 0.00 1.00 -ATOM 351 C5f TOP 1 1 0.614 24.105 16.750 0.00 1.00 -ATOM 352 C5g TOP 1 1 28.858 26.232 10.050 0.00 1.00 -ATOM 353 C5h TOP 1 1 28.858 26.232 13.400 0.00 1.00 -ATOM 354 C5i TOP 1 1 28.858 26.232 16.750 0.00 1.00 -ATOM 355 C5j TOP 1 1 27.630 28.359 10.050 0.00 1.00 -ATOM 356 C5k TOP 1 1 27.630 28.359 13.400 0.00 1.00 -ATOM 357 C5l TOP 1 1 27.630 28.359 16.750 0.00 1.00 -ATOM 358 C5m TOP 1 1 26.402 0.709 10.050 0.00 1.00 -ATOM 359 C5n TOP 1 1 26.402 0.709 13.400 0.00 1.00 -ATOM 360 C5o TOP 1 1 26.402 0.709 16.750 0.00 1.00 -ATOM 361 C5p TOP 1 1 25.174 2.836 10.050 0.00 1.00 -ATOM 362 C5q TOP 1 1 25.174 2.836 13.400 0.00 1.00 -ATOM 363 C5r TOP 1 1 25.174 2.836 16.750 0.00 1.00 -ATOM 364 C5s TOP 1 1 23.946 4.963 10.050 0.00 1.00 -ATOM 365 C5t TOP 1 1 23.946 4.963 13.400 0.00 1.00 -ATOM 366 C5u TOP 1 1 23.946 4.963 16.750 0.00 1.00 -ATOM 367 C5v TOP 1 1 22.718 7.090 10.050 0.00 1.00 -ATOM 368 C5w TOP 1 1 22.718 7.090 13.400 0.00 1.00 -ATOM 369 C5x TOP 1 1 22.718 7.090 16.750 0.00 1.00 -ATOM 370 C5y TOP 1 1 21.490 9.217 10.050 0.00 1.00 -ATOM 371 C5z TOP 1 1 21.490 9.217 13.400 0.00 1.00 -ATOM 372 C60 TOP 1 1 21.490 9.217 16.750 0.00 1.00 -ATOM 373 C61 TOP 1 1 20.262 11.344 10.050 0.00 1.00 -ATOM 374 C62 TOP 1 1 20.262 11.344 13.400 0.00 1.00 -ATOM 375 C63 TOP 1 1 20.262 11.344 16.750 0.00 1.00 -ATOM 376 C64 TOP 1 1 19.034 13.471 10.050 0.00 1.00 -ATOM 377 C65 TOP 1 1 19.034 13.471 13.400 0.00 1.00 -ATOM 378 C66 TOP 1 1 19.034 13.471 16.750 0.00 1.00 -ATOM 379 C67 TOP 1 1 7.982 15.597 10.050 0.00 1.00 -ATOM 380 C68 TOP 1 1 7.982 15.597 13.400 0.00 1.00 -ATOM 381 C69 TOP 1 1 7.982 15.597 16.750 0.00 1.00 -ATOM 382 C6A TOP 1 1 6.754 17.724 10.050 0.00 1.00 -ATOM 383 C6B TOP 1 1 6.754 17.724 13.400 0.00 1.00 -ATOM 384 C6C TOP 1 1 6.754 17.724 16.750 0.00 1.00 -ATOM 385 C6D TOP 1 1 5.526 19.851 10.050 0.00 1.00 -ATOM 386 C6E TOP 1 1 5.526 19.851 13.400 0.00 1.00 -ATOM 387 C6F TOP 1 1 5.526 19.851 16.750 0.00 1.00 -ATOM 388 C6G TOP 1 1 4.298 21.978 10.050 0.00 1.00 -ATOM 389 C6H TOP 1 1 4.298 21.978 13.400 0.00 1.00 -ATOM 390 C6I TOP 1 1 4.298 21.978 16.750 0.00 1.00 -ATOM 391 C6J TOP 1 1 3.070 24.105 10.050 0.00 1.00 -ATOM 392 C6K TOP 1 1 3.070 24.105 13.400 0.00 1.00 -ATOM 393 C6L TOP 1 1 3.070 24.105 16.750 0.00 1.00 -ATOM 394 C6M TOP 1 1 1.842 26.232 10.050 0.00 1.00 -ATOM 395 C6N TOP 1 1 1.842 26.232 13.400 0.00 1.00 -ATOM 396 C6O TOP 1 1 1.842 26.232 16.750 0.00 1.00 -ATOM 397 C6P TOP 1 1 0.614 28.359 10.050 0.00 1.00 -ATOM 398 C6Q TOP 1 1 0.614 28.359 13.400 0.00 1.00 -ATOM 399 C6R TOP 1 1 0.614 28.359 16.750 0.00 1.00 -ATOM 400 C6S TOP 1 1 28.858 0.709 10.050 0.00 1.00 -ATOM 401 C6T TOP 1 1 28.858 0.709 13.400 0.00 1.00 -ATOM 402 C6U TOP 1 1 28.858 0.709 16.750 0.00 1.00 -ATOM 403 C6V TOP 1 1 27.630 2.836 10.050 0.00 1.00 -ATOM 404 C6W TOP 1 1 27.630 2.836 13.400 0.00 1.00 -ATOM 405 C6X TOP 1 1 27.630 2.836 16.750 0.00 1.00 -ATOM 406 C6Y TOP 1 1 26.402 4.963 10.050 0.00 1.00 -ATOM 407 C6Z TOP 1 1 26.402 4.963 13.400 0.00 1.00 -ATOM 408 C6a TOP 1 1 26.402 4.963 16.750 0.00 1.00 -ATOM 409 C6b TOP 1 1 25.174 7.090 10.050 0.00 1.00 -ATOM 410 C6c TOP 1 1 25.174 7.090 13.400 0.00 1.00 -ATOM 411 C6d TOP 1 1 25.174 7.090 16.750 0.00 1.00 -ATOM 412 C6e TOP 1 1 23.946 9.217 10.050 0.00 1.00 -ATOM 413 C6f TOP 1 1 23.946 9.217 13.400 0.00 1.00 -ATOM 414 C6g TOP 1 1 23.946 9.217 16.750 0.00 1.00 -ATOM 415 C6h TOP 1 1 22.718 11.344 10.050 0.00 1.00 -ATOM 416 C6i TOP 1 1 22.718 11.344 13.400 0.00 1.00 -ATOM 417 C6j TOP 1 1 22.718 11.344 16.750 0.00 1.00 -ATOM 418 C6k TOP 1 1 21.490 13.471 10.050 0.00 1.00 -ATOM 419 C6l TOP 1 1 21.490 13.471 13.400 0.00 1.00 -ATOM 420 C6m TOP 1 1 21.490 13.471 16.750 0.00 1.00 -ATOM 421 C6n TOP 1 1 10.438 15.597 10.050 0.00 1.00 -ATOM 422 C6o TOP 1 1 10.438 15.597 13.400 0.00 1.00 -ATOM 423 C6p TOP 1 1 10.438 15.597 16.750 0.00 1.00 -ATOM 424 C6q TOP 1 1 9.210 17.724 10.050 0.00 1.00 -ATOM 425 C6r TOP 1 1 9.210 17.724 13.400 0.00 1.00 -ATOM 426 C6s TOP 1 1 9.210 17.724 16.750 0.00 1.00 -ATOM 427 C6t TOP 1 1 7.982 19.851 10.050 0.00 1.00 -ATOM 428 C6u TOP 1 1 7.982 19.851 13.400 0.00 1.00 -ATOM 429 C6v TOP 1 1 7.982 19.851 16.750 0.00 1.00 -ATOM 430 C6w TOP 1 1 6.754 21.978 10.050 0.00 1.00 -ATOM 431 C6x TOP 1 1 6.754 21.978 13.400 0.00 1.00 -ATOM 432 C6y TOP 1 1 6.754 21.978 16.750 0.00 1.00 -ATOM 433 C6z TOP 1 1 5.526 24.105 10.050 0.00 1.00 -ATOM 434 C70 TOP 1 1 5.526 24.105 13.400 0.00 1.00 -ATOM 435 C71 TOP 1 1 5.526 24.105 16.750 0.00 1.00 -ATOM 436 C72 TOP 1 1 4.298 26.232 10.050 0.00 1.00 -ATOM 437 C73 TOP 1 1 4.298 26.232 13.400 0.00 1.00 -ATOM 438 C74 TOP 1 1 4.298 26.232 16.750 0.00 1.00 -ATOM 439 C75 TOP 1 1 3.070 28.359 10.050 0.00 1.00 -ATOM 440 C76 TOP 1 1 3.070 28.359 13.400 0.00 1.00 -ATOM 441 C77 TOP 1 1 3.070 28.359 16.750 0.00 1.00 -ATOM 442 C78 TOP 1 1 1.842 0.709 10.050 0.00 1.00 -ATOM 443 C79 TOP 1 1 1.842 0.709 13.400 0.00 1.00 -ATOM 444 C7A TOP 1 1 1.842 0.709 16.750 0.00 1.00 -ATOM 445 C7B TOP 1 1 0.614 2.836 10.050 0.00 1.00 -ATOM 446 C7C TOP 1 1 0.614 2.836 13.400 0.00 1.00 -ATOM 447 C7D TOP 1 1 0.614 2.836 16.750 0.00 1.00 -ATOM 448 C7E TOP 1 1 28.858 4.963 10.050 0.00 1.00 -ATOM 449 C7F TOP 1 1 28.858 4.963 13.400 0.00 1.00 -ATOM 450 C7G TOP 1 1 28.858 4.963 16.750 0.00 1.00 -ATOM 451 C7H TOP 1 1 27.630 7.090 10.050 0.00 1.00 -ATOM 452 C7I TOP 1 1 27.630 7.090 13.400 0.00 1.00 -ATOM 453 C7J TOP 1 1 27.630 7.090 16.750 0.00 1.00 -ATOM 454 C7K TOP 1 1 26.402 9.217 10.050 0.00 1.00 -ATOM 455 C7L TOP 1 1 26.402 9.217 13.400 0.00 1.00 -ATOM 456 C7M TOP 1 1 26.402 9.217 16.750 0.00 1.00 -ATOM 457 C7N TOP 1 1 25.174 11.344 10.050 0.00 1.00 -ATOM 458 C7O TOP 1 1 25.174 11.344 13.400 0.00 1.00 -ATOM 459 C7P TOP 1 1 25.174 11.344 16.750 0.00 1.00 -ATOM 460 C7Q TOP 1 1 23.946 13.471 10.050 0.00 1.00 -ATOM 461 C7R TOP 1 1 23.946 13.471 13.400 0.00 1.00 -ATOM 462 C7S TOP 1 1 23.946 13.471 16.750 0.00 1.00 -ATOM 463 C7T TOP 1 1 12.894 15.597 10.050 0.00 1.00 -ATOM 464 C7U TOP 1 1 12.894 15.597 13.400 0.00 1.00 -ATOM 465 C7V TOP 1 1 12.894 15.597 16.750 0.00 1.00 -ATOM 466 C7W TOP 1 1 11.666 17.724 10.050 0.00 1.00 -ATOM 467 C7X TOP 1 1 11.666 17.724 13.400 0.00 1.00 -ATOM 468 C7Y TOP 1 1 11.666 17.724 16.750 0.00 1.00 -ATOM 469 C7Z TOP 1 1 10.438 19.851 10.050 0.00 1.00 -ATOM 470 C7a TOP 1 1 10.438 19.851 13.400 0.00 1.00 -ATOM 471 C7b TOP 1 1 10.438 19.851 16.750 0.00 1.00 -ATOM 472 C7c TOP 1 1 9.210 21.978 10.050 0.00 1.00 -ATOM 473 C7d TOP 1 1 9.210 21.978 13.400 0.00 1.00 -ATOM 474 C7e TOP 1 1 9.210 21.978 16.750 0.00 1.00 -ATOM 475 C7f TOP 1 1 7.982 24.105 10.050 0.00 1.00 -ATOM 476 C7g TOP 1 1 7.982 24.105 13.400 0.00 1.00 -ATOM 477 C7h TOP 1 1 7.982 24.105 16.750 0.00 1.00 -ATOM 478 C7i TOP 1 1 6.754 26.232 10.050 0.00 1.00 -ATOM 479 C7j TOP 1 1 6.754 26.232 13.400 0.00 1.00 -ATOM 480 C7k TOP 1 1 6.754 26.232 16.750 0.00 1.00 -ATOM 481 C7l TOP 1 1 5.526 28.359 10.050 0.00 1.00 -ATOM 482 C7m TOP 1 1 5.526 28.359 13.400 0.00 1.00 -ATOM 483 C7n TOP 1 1 5.526 28.359 16.750 0.00 1.00 -ATOM 484 C7o TOP 1 1 4.298 0.709 10.050 0.00 1.00 -ATOM 485 C7p TOP 1 1 4.298 0.709 13.400 0.00 1.00 -ATOM 486 C7q TOP 1 1 4.298 0.709 16.750 0.00 1.00 -ATOM 487 C7r TOP 1 1 3.070 2.836 10.050 0.00 1.00 -ATOM 488 C7s TOP 1 1 3.070 2.836 13.400 0.00 1.00 -ATOM 489 C7t TOP 1 1 3.070 2.836 16.750 0.00 1.00 -ATOM 490 C7u TOP 1 1 1.842 4.963 10.050 0.00 1.00 -ATOM 491 C7v TOP 1 1 1.842 4.963 13.400 0.00 1.00 -ATOM 492 C7w TOP 1 1 1.842 4.963 16.750 0.00 1.00 -ATOM 493 C7x TOP 1 1 0.614 7.090 10.050 0.00 1.00 -ATOM 494 C7y TOP 1 1 0.614 7.090 13.400 0.00 1.00 -ATOM 495 C7z TOP 1 1 0.614 7.090 16.750 0.00 1.00 -ATOM 496 C80 TOP 1 1 28.858 9.217 10.050 0.00 1.00 -ATOM 497 C81 TOP 1 1 28.858 9.217 13.400 0.00 1.00 -ATOM 498 C82 TOP 1 1 28.858 9.217 16.750 0.00 1.00 -ATOM 499 C83 TOP 1 1 27.630 11.344 10.050 0.00 1.00 -ATOM 500 C84 TOP 1 1 27.630 11.344 13.400 0.00 1.00 -ATOM 501 C85 TOP 1 1 27.630 11.344 16.750 0.00 1.00 -ATOM 502 C86 TOP 1 1 26.402 13.471 10.050 0.00 1.00 -ATOM 503 C87 TOP 1 1 26.402 13.471 13.400 0.00 1.00 -ATOM 504 C88 TOP 1 1 26.402 13.471 16.750 0.00 1.00 -ATOM 505 C89 TOP 1 1 16.578 16.306 10.050 0.00 1.00 -ATOM 506 C8A TOP 1 1 16.578 16.306 13.400 0.00 1.00 -ATOM 507 C8B TOP 1 1 16.578 16.306 16.750 0.00 1.00 -ATOM 508 C8C TOP 1 1 15.350 18.433 10.050 0.00 1.00 -ATOM 509 C8D TOP 1 1 15.350 18.433 13.400 0.00 1.00 -ATOM 510 C8E TOP 1 1 15.350 18.433 16.750 0.00 1.00 -ATOM 511 C8F TOP 1 1 14.122 20.560 10.050 0.00 1.00 -ATOM 512 C8G TOP 1 1 14.122 20.560 13.400 0.00 1.00 -ATOM 513 C8H TOP 1 1 14.122 20.560 16.750 0.00 1.00 -ATOM 514 C8I TOP 1 1 12.894 22.687 10.050 0.00 1.00 -ATOM 515 C8J TOP 1 1 12.894 22.687 13.400 0.00 1.00 -ATOM 516 C8K TOP 1 1 12.894 22.687 16.750 0.00 1.00 -ATOM 517 C8L TOP 1 1 11.666 24.814 10.050 0.00 1.00 -ATOM 518 C8M TOP 1 1 11.666 24.814 13.400 0.00 1.00 -ATOM 519 C8N TOP 1 1 11.666 24.814 16.750 0.00 1.00 -ATOM 520 C8O TOP 1 1 10.438 26.941 10.050 0.00 1.00 -ATOM 521 C8P TOP 1 1 10.438 26.941 13.400 0.00 1.00 -ATOM 522 C8Q TOP 1 1 10.438 26.941 16.750 0.00 1.00 -ATOM 523 C8R TOP 1 1 9.210 29.068 10.050 0.00 1.00 -ATOM 524 C8S TOP 1 1 9.210 29.068 13.400 0.00 1.00 -ATOM 525 C8T TOP 1 1 9.210 29.068 16.750 0.00 1.00 -ATOM 526 C8U TOP 1 1 7.982 1.418 10.050 0.00 1.00 -ATOM 527 C8V TOP 1 1 7.982 1.418 13.400 0.00 1.00 -ATOM 528 C8W TOP 1 1 7.982 1.418 16.750 0.00 1.00 -ATOM 529 C8X TOP 1 1 6.754 3.545 10.050 0.00 1.00 -ATOM 530 C8Y TOP 1 1 6.754 3.545 13.400 0.00 1.00 -ATOM 531 C8Z TOP 1 1 6.754 3.545 16.750 0.00 1.00 -ATOM 532 C8a TOP 1 1 5.526 5.672 10.050 0.00 1.00 -ATOM 533 C8b TOP 1 1 5.526 5.672 13.400 0.00 1.00 -ATOM 534 C8c TOP 1 1 5.526 5.672 16.750 0.00 1.00 -ATOM 535 C8d TOP 1 1 4.298 7.799 10.050 0.00 1.00 -ATOM 536 C8e TOP 1 1 4.298 7.799 13.400 0.00 1.00 -ATOM 537 C8f TOP 1 1 4.298 7.799 16.750 0.00 1.00 -ATOM 538 C8g TOP 1 1 3.070 9.926 10.050 0.00 1.00 -ATOM 539 C8h TOP 1 1 3.070 9.926 13.400 0.00 1.00 -ATOM 540 C8i TOP 1 1 3.070 9.926 16.750 0.00 1.00 -ATOM 541 C8j TOP 1 1 1.842 12.053 10.050 0.00 1.00 -ATOM 542 C8k TOP 1 1 1.842 12.053 13.400 0.00 1.00 -ATOM 543 C8l TOP 1 1 1.842 12.053 16.750 0.00 1.00 -ATOM 544 C8m TOP 1 1 0.614 14.180 10.050 0.00 1.00 -ATOM 545 C8n TOP 1 1 0.614 14.180 13.400 0.00 1.00 -ATOM 546 C8o TOP 1 1 0.614 14.180 16.750 0.00 1.00 -ATOM 547 C8p TOP 1 1 19.034 16.306 10.050 0.00 1.00 -ATOM 548 C8q TOP 1 1 19.034 16.306 13.400 0.00 1.00 -ATOM 549 C8r TOP 1 1 19.034 16.306 16.750 0.00 1.00 -ATOM 550 C8s TOP 1 1 17.806 18.433 10.050 0.00 1.00 -ATOM 551 C8t TOP 1 1 17.806 18.433 13.400 0.00 1.00 -ATOM 552 C8u TOP 1 1 17.806 18.433 16.750 0.00 1.00 -ATOM 553 C8v TOP 1 1 16.578 20.560 10.050 0.00 1.00 -ATOM 554 C8w TOP 1 1 16.578 20.560 13.400 0.00 1.00 -ATOM 555 C8x TOP 1 1 16.578 20.560 16.750 0.00 1.00 -ATOM 556 C8y TOP 1 1 15.350 22.687 10.050 0.00 1.00 -ATOM 557 C8z TOP 1 1 15.350 22.687 13.400 0.00 1.00 -ATOM 558 C90 TOP 1 1 15.350 22.687 16.750 0.00 1.00 -ATOM 559 C91 TOP 1 1 14.122 24.814 10.050 0.00 1.00 -ATOM 560 C92 TOP 1 1 14.122 24.814 13.400 0.00 1.00 -ATOM 561 C93 TOP 1 1 14.122 24.814 16.750 0.00 1.00 -ATOM 562 C94 TOP 1 1 12.894 26.941 10.050 0.00 1.00 -ATOM 563 C95 TOP 1 1 12.894 26.941 13.400 0.00 1.00 -ATOM 564 C96 TOP 1 1 12.894 26.941 16.750 0.00 1.00 -ATOM 565 C97 TOP 1 1 11.666 29.068 10.050 0.00 1.00 -ATOM 566 C98 TOP 1 1 11.666 29.068 13.400 0.00 1.00 -ATOM 567 C99 TOP 1 1 11.666 29.068 16.750 0.00 1.00 -ATOM 568 C9A TOP 1 1 10.438 1.418 10.050 0.00 1.00 -ATOM 569 C9B TOP 1 1 10.438 1.418 13.400 0.00 1.00 -ATOM 570 C9C TOP 1 1 10.438 1.418 16.750 0.00 1.00 -ATOM 571 C9D TOP 1 1 9.210 3.545 10.050 0.00 1.00 -ATOM 572 C9E TOP 1 1 9.210 3.545 13.400 0.00 1.00 -ATOM 573 C9F TOP 1 1 9.210 3.545 16.750 0.00 1.00 -ATOM 574 C9G TOP 1 1 7.982 5.672 10.050 0.00 1.00 -ATOM 575 C9H TOP 1 1 7.982 5.672 13.400 0.00 1.00 -ATOM 576 C9I TOP 1 1 7.982 5.672 16.750 0.00 1.00 -ATOM 577 C9J TOP 1 1 6.754 7.799 10.050 0.00 1.00 -ATOM 578 C9K TOP 1 1 6.754 7.799 13.400 0.00 1.00 -ATOM 579 C9L TOP 1 1 6.754 7.799 16.750 0.00 1.00 -ATOM 580 C9M TOP 1 1 5.526 9.926 10.050 0.00 1.00 -ATOM 581 C9N TOP 1 1 5.526 9.926 13.400 0.00 1.00 -ATOM 582 C9O TOP 1 1 5.526 9.926 16.750 0.00 1.00 -ATOM 583 C9P TOP 1 1 4.298 12.053 10.050 0.00 1.00 -ATOM 584 C9Q TOP 1 1 4.298 12.053 13.400 0.00 1.00 -ATOM 585 C9R TOP 1 1 4.298 12.053 16.750 0.00 1.00 -ATOM 586 C9S TOP 1 1 3.070 14.180 10.050 0.00 1.00 -ATOM 587 C9T TOP 1 1 3.070 14.180 13.400 0.00 1.00 -ATOM 588 C9U TOP 1 1 3.070 14.180 16.750 0.00 1.00 -ATOM 589 C9V TOP 1 1 21.490 16.306 10.050 0.00 1.00 -ATOM 590 C9W TOP 1 1 21.490 16.306 13.400 0.00 1.00 -ATOM 591 C9X TOP 1 1 21.490 16.306 16.750 0.00 1.00 -ATOM 592 C9Y TOP 1 1 20.262 18.433 10.050 0.00 1.00 -ATOM 593 C9Z TOP 1 1 20.262 18.433 13.400 0.00 1.00 -ATOM 594 C9a TOP 1 1 20.262 18.433 16.750 0.00 1.00 -ATOM 595 C9b TOP 1 1 19.034 20.560 10.050 0.00 1.00 -ATOM 596 C9c TOP 1 1 19.034 20.560 13.400 0.00 1.00 -ATOM 597 C9d TOP 1 1 19.034 20.560 16.750 0.00 1.00 -ATOM 598 C9e TOP 1 1 17.806 22.687 10.050 0.00 1.00 -ATOM 599 C9f TOP 1 1 17.806 22.687 13.400 0.00 1.00 -ATOM 600 C9g TOP 1 1 17.806 22.687 16.750 0.00 1.00 -ATOM 601 C9h TOP 1 1 16.578 24.814 10.050 0.00 1.00 -ATOM 602 C9i TOP 1 1 16.578 24.814 13.400 0.00 1.00 -ATOM 603 C9j TOP 1 1 16.578 24.814 16.750 0.00 1.00 -ATOM 604 C9k TOP 1 1 15.350 26.941 10.050 0.00 1.00 -ATOM 605 C9l TOP 1 1 15.350 26.941 13.400 0.00 1.00 -ATOM 606 C9m TOP 1 1 15.350 26.941 16.750 0.00 1.00 -ATOM 607 C9n TOP 1 1 14.122 29.068 10.050 0.00 1.00 -ATOM 608 C9o TOP 1 1 14.122 29.068 13.400 0.00 1.00 -ATOM 609 C9p TOP 1 1 14.122 29.068 16.750 0.00 1.00 -ATOM 610 C9q TOP 1 1 12.894 1.418 10.050 0.00 1.00 -ATOM 611 C9r TOP 1 1 12.894 1.418 13.400 0.00 1.00 -ATOM 612 C9s TOP 1 1 12.894 1.418 16.750 0.00 1.00 -ATOM 613 C9t TOP 1 1 11.666 3.545 10.050 0.00 1.00 -ATOM 614 C9u TOP 1 1 11.666 3.545 13.400 0.00 1.00 -ATOM 615 C9v TOP 1 1 11.666 3.545 16.750 0.00 1.00 -ATOM 616 C9w TOP 1 1 10.438 5.672 10.050 0.00 1.00 -ATOM 617 C9x TOP 1 1 10.438 5.672 13.400 0.00 1.00 -ATOM 618 C9y TOP 1 1 10.438 5.672 16.750 0.00 1.00 -ATOM 619 C9z TOP 1 1 9.210 7.799 10.050 0.00 1.00 -ATOM 620 CA0 TOP 1 1 9.210 7.799 13.400 0.00 1.00 -ATOM 621 CA1 TOP 1 1 9.210 7.799 16.750 0.00 1.00 -ATOM 622 CA2 TOP 1 1 7.982 9.926 10.050 0.00 1.00 -ATOM 623 CA3 TOP 1 1 7.982 9.926 13.400 0.00 1.00 -ATOM 624 CA4 TOP 1 1 7.982 9.926 16.750 0.00 1.00 -ATOM 625 CA5 TOP 1 1 6.754 12.053 10.050 0.00 1.00 -ATOM 626 CA6 TOP 1 1 6.754 12.053 13.400 0.00 1.00 -ATOM 627 CA7 TOP 1 1 6.754 12.053 16.750 0.00 1.00 -ATOM 628 CA8 TOP 1 1 5.526 14.180 10.050 0.00 1.00 -ATOM 629 CA9 TOP 1 1 5.526 14.180 13.400 0.00 1.00 -ATOM 630 CAA TOP 1 1 5.526 14.180 16.750 0.00 1.00 -ATOM 631 CAB TOP 1 1 23.946 16.306 10.050 0.00 1.00 -ATOM 632 CAC TOP 1 1 23.946 16.306 13.400 0.00 1.00 -ATOM 633 CAD TOP 1 1 23.946 16.306 16.750 0.00 1.00 -ATOM 634 CAE TOP 1 1 22.718 18.433 10.050 0.00 1.00 -ATOM 635 CAF TOP 1 1 22.718 18.433 13.400 0.00 1.00 -ATOM 636 CAG TOP 1 1 22.718 18.433 16.750 0.00 1.00 -ATOM 637 CAH TOP 1 1 21.490 20.560 10.050 0.00 1.00 -ATOM 638 CAI TOP 1 1 21.490 20.560 13.400 0.00 1.00 -ATOM 639 CAJ TOP 1 1 21.490 20.560 16.750 0.00 1.00 -ATOM 640 CAK TOP 1 1 20.262 22.687 10.050 0.00 1.00 -ATOM 641 CAL TOP 1 1 20.262 22.687 13.400 0.00 1.00 -ATOM 642 CAM TOP 1 1 20.262 22.687 16.750 0.00 1.00 -ATOM 643 CAN TOP 1 1 19.034 24.814 10.050 0.00 1.00 -ATOM 644 CAO TOP 1 1 19.034 24.814 13.400 0.00 1.00 -ATOM 645 CAP TOP 1 1 19.034 24.814 16.750 0.00 1.00 -ATOM 646 CAQ TOP 1 1 17.806 26.941 10.050 0.00 1.00 -ATOM 647 CAR TOP 1 1 17.806 26.941 13.400 0.00 1.00 -ATOM 648 CAS TOP 1 1 17.806 26.941 16.750 0.00 1.00 -ATOM 649 CAT TOP 1 1 16.578 29.068 10.050 0.00 1.00 -ATOM 650 CAU TOP 1 1 16.578 29.068 13.400 0.00 1.00 -ATOM 651 CAV TOP 1 1 16.578 29.068 16.750 0.00 1.00 -ATOM 652 CAW TOP 1 1 15.350 1.418 10.050 0.00 1.00 -ATOM 653 CAX TOP 1 1 15.350 1.418 13.400 0.00 1.00 -ATOM 654 CAY TOP 1 1 15.350 1.418 16.750 0.00 1.00 -ATOM 655 CAZ TOP 1 1 14.122 3.545 10.050 0.00 1.00 -ATOM 656 CAa TOP 1 1 14.122 3.545 13.400 0.00 1.00 -ATOM 657 CAb TOP 1 1 14.122 3.545 16.750 0.00 1.00 -ATOM 658 CAc TOP 1 1 12.894 5.672 10.050 0.00 1.00 -ATOM 659 CAd TOP 1 1 12.894 5.672 13.400 0.00 1.00 -ATOM 660 CAe TOP 1 1 12.894 5.672 16.750 0.00 1.00 -ATOM 661 CAf TOP 1 1 11.666 7.799 10.050 0.00 1.00 -ATOM 662 CAg TOP 1 1 11.666 7.799 13.400 0.00 1.00 -ATOM 663 CAh TOP 1 1 11.666 7.799 16.750 0.00 1.00 -ATOM 664 CAi TOP 1 1 10.438 9.926 10.050 0.00 1.00 -ATOM 665 CAj TOP 1 1 10.438 9.926 13.400 0.00 1.00 -ATOM 666 CAk TOP 1 1 10.438 9.926 16.750 0.00 1.00 -ATOM 667 CAl TOP 1 1 9.210 12.053 10.050 0.00 1.00 -ATOM 668 CAm TOP 1 1 9.210 12.053 13.400 0.00 1.00 -ATOM 669 CAn TOP 1 1 9.210 12.053 16.750 0.00 1.00 -ATOM 670 CAo TOP 1 1 7.982 14.180 10.050 0.00 1.00 -ATOM 671 CAp TOP 1 1 7.982 14.180 13.400 0.00 1.00 -ATOM 672 CAq TOP 1 1 7.982 14.180 16.750 0.00 1.00 -ATOM 673 CAr TOP 1 1 26.402 16.306 10.050 0.00 1.00 -ATOM 674 CAs TOP 1 1 26.402 16.306 13.400 0.00 1.00 -ATOM 675 CAt TOP 1 1 26.402 16.306 16.750 0.00 1.00 -ATOM 676 CAu TOP 1 1 25.174 18.433 10.050 0.00 1.00 -ATOM 677 CAv TOP 1 1 25.174 18.433 13.400 0.00 1.00 -ATOM 678 CAw TOP 1 1 25.174 18.433 16.750 0.00 1.00 -ATOM 679 CAx TOP 1 1 23.946 20.560 10.050 0.00 1.00 -ATOM 680 CAy TOP 1 1 23.946 20.560 13.400 0.00 1.00 -ATOM 681 CAz TOP 1 1 23.946 20.560 16.750 0.00 1.00 -ATOM 682 CB0 TOP 1 1 22.718 22.687 10.050 0.00 1.00 -ATOM 683 CB1 TOP 1 1 22.718 22.687 13.400 0.00 1.00 -ATOM 684 CB2 TOP 1 1 22.718 22.687 16.750 0.00 1.00 -ATOM 685 CB3 TOP 1 1 21.490 24.814 10.050 0.00 1.00 -ATOM 686 CB4 TOP 1 1 21.490 24.814 13.400 0.00 1.00 -ATOM 687 CB5 TOP 1 1 21.490 24.814 16.750 0.00 1.00 -ATOM 688 CB6 TOP 1 1 20.262 26.941 10.050 0.00 1.00 -ATOM 689 CB7 TOP 1 1 20.262 26.941 13.400 0.00 1.00 -ATOM 690 CB8 TOP 1 1 20.262 26.941 16.750 0.00 1.00 -ATOM 691 CB9 TOP 1 1 19.034 29.068 10.050 0.00 1.00 -ATOM 692 CBA TOP 1 1 19.034 29.068 13.400 0.00 1.00 -ATOM 693 CBB TOP 1 1 19.034 29.068 16.750 0.00 1.00 -ATOM 694 CBC TOP 1 1 17.806 1.418 10.050 0.00 1.00 -ATOM 695 CBD TOP 1 1 17.806 1.418 13.400 0.00 1.00 -ATOM 696 CBE TOP 1 1 17.806 1.418 16.750 0.00 1.00 -ATOM 697 CBF TOP 1 1 16.578 3.545 10.050 0.00 1.00 -ATOM 698 CBG TOP 1 1 16.578 3.545 13.400 0.00 1.00 -ATOM 699 CBH TOP 1 1 16.578 3.545 16.750 0.00 1.00 -ATOM 700 CBI TOP 1 1 15.350 5.672 10.050 0.00 1.00 -ATOM 701 CBJ TOP 1 1 15.350 5.672 13.400 0.00 1.00 -ATOM 702 CBK TOP 1 1 15.350 5.672 16.750 0.00 1.00 -ATOM 703 CBL TOP 1 1 14.122 7.799 10.050 0.00 1.00 -ATOM 704 CBM TOP 1 1 14.122 7.799 13.400 0.00 1.00 -ATOM 705 CBN TOP 1 1 14.122 7.799 16.750 0.00 1.00 -ATOM 706 CBO TOP 1 1 12.894 9.926 10.050 0.00 1.00 -ATOM 707 CBP TOP 1 1 12.894 9.926 13.400 0.00 1.00 -ATOM 708 CBQ TOP 1 1 12.894 9.926 16.750 0.00 1.00 -ATOM 709 CBR TOP 1 1 11.666 12.053 10.050 0.00 1.00 -ATOM 710 CBS TOP 1 1 11.666 12.053 13.400 0.00 1.00 -ATOM 711 CBT TOP 1 1 11.666 12.053 16.750 0.00 1.00 -ATOM 712 CBU TOP 1 1 10.438 14.180 10.050 0.00 1.00 -ATOM 713 CBV TOP 1 1 10.438 14.180 13.400 0.00 1.00 -ATOM 714 CBW TOP 1 1 10.438 14.180 16.750 0.00 1.00 -ATOM 715 CBX TOP 1 1 28.858 16.306 10.050 0.00 1.00 -ATOM 716 CBY TOP 1 1 28.858 16.306 13.400 0.00 1.00 -ATOM 717 CBZ TOP 1 1 28.858 16.306 16.750 0.00 1.00 -ATOM 718 CBa TOP 1 1 27.630 18.433 10.050 0.00 1.00 -ATOM 719 CBb TOP 1 1 27.630 18.433 13.400 0.00 1.00 -ATOM 720 CBc TOP 1 1 27.630 18.433 16.750 0.00 1.00 -ATOM 721 CBd TOP 1 1 26.402 20.560 10.050 0.00 1.00 -ATOM 722 CBe TOP 1 1 26.402 20.560 13.400 0.00 1.00 -ATOM 723 CBf TOP 1 1 26.402 20.560 16.750 0.00 1.00 -ATOM 724 CBg TOP 1 1 25.174 22.687 10.050 0.00 1.00 -ATOM 725 CBh TOP 1 1 25.174 22.687 13.400 0.00 1.00 -ATOM 726 CBi TOP 1 1 25.174 22.687 16.750 0.00 1.00 -ATOM 727 CBj TOP 1 1 23.946 24.814 10.050 0.00 1.00 -ATOM 728 CBk TOP 1 1 23.946 24.814 13.400 0.00 1.00 -ATOM 729 CBl TOP 1 1 23.946 24.814 16.750 0.00 1.00 -ATOM 730 CBm TOP 1 1 22.718 26.941 10.050 0.00 1.00 -ATOM 731 CBn TOP 1 1 22.718 26.941 13.400 0.00 1.00 -ATOM 732 CBo TOP 1 1 22.718 26.941 16.750 0.00 1.00 -ATOM 733 CBp TOP 1 1 21.490 29.068 10.050 0.00 1.00 -ATOM 734 CBq TOP 1 1 21.490 29.068 13.400 0.00 1.00 -ATOM 735 CBr TOP 1 1 21.490 29.068 16.750 0.00 1.00 -ATOM 736 CBs TOP 1 1 20.262 1.418 10.050 0.00 1.00 -ATOM 737 CBt TOP 1 1 20.262 1.418 13.400 0.00 1.00 -ATOM 738 CBu TOP 1 1 20.262 1.418 16.750 0.00 1.00 -ATOM 739 CBv TOP 1 1 19.034 3.545 10.050 0.00 1.00 -ATOM 740 CBw TOP 1 1 19.034 3.545 13.400 0.00 1.00 -ATOM 741 CBx TOP 1 1 19.034 3.545 16.750 0.00 1.00 -ATOM 742 CBy TOP 1 1 17.806 5.672 10.050 0.00 1.00 -ATOM 743 CBz TOP 1 1 17.806 5.672 13.400 0.00 1.00 -ATOM 744 CC0 TOP 1 1 17.806 5.672 16.750 0.00 1.00 -ATOM 745 CC1 TOP 1 1 16.578 7.799 10.050 0.00 1.00 -ATOM 746 CC2 TOP 1 1 16.578 7.799 13.400 0.00 1.00 -ATOM 747 CC3 TOP 1 1 16.578 7.799 16.750 0.00 1.00 -ATOM 748 CC4 TOP 1 1 15.350 9.926 10.050 0.00 1.00 -ATOM 749 CC5 TOP 1 1 15.350 9.926 13.400 0.00 1.00 -ATOM 750 CC6 TOP 1 1 15.350 9.926 16.750 0.00 1.00 -ATOM 751 CC7 TOP 1 1 14.122 12.053 10.050 0.00 1.00 -ATOM 752 CC8 TOP 1 1 14.122 12.053 13.400 0.00 1.00 -ATOM 753 CC9 TOP 1 1 14.122 12.053 16.750 0.00 1.00 -ATOM 754 CCA TOP 1 1 12.894 14.180 10.050 0.00 1.00 -ATOM 755 CCB TOP 1 1 12.894 14.180 13.400 0.00 1.00 -ATOM 756 CCC TOP 1 1 12.894 14.180 16.750 0.00 1.00 -ATOM 757 CCD TOP 1 1 1.842 16.306 10.050 0.00 1.00 -ATOM 758 CCE TOP 1 1 1.842 16.306 13.400 0.00 1.00 -ATOM 759 CCF TOP 1 1 1.842 16.306 16.750 0.00 1.00 -ATOM 760 CCG TOP 1 1 0.614 18.433 10.050 0.00 1.00 -ATOM 761 CCH TOP 1 1 0.614 18.433 13.400 0.00 1.00 -ATOM 762 CCI TOP 1 1 0.614 18.433 16.750 0.00 1.00 -ATOM 763 CCJ TOP 1 1 28.858 20.560 10.050 0.00 1.00 -ATOM 764 CCK TOP 1 1 28.858 20.560 13.400 0.00 1.00 -ATOM 765 CCL TOP 1 1 28.858 20.560 16.750 0.00 1.00 -ATOM 766 CCM TOP 1 1 27.630 22.687 10.050 0.00 1.00 -ATOM 767 CCN TOP 1 1 27.630 22.687 13.400 0.00 1.00 -ATOM 768 CCO TOP 1 1 27.630 22.687 16.750 0.00 1.00 -ATOM 769 CCP TOP 1 1 26.402 24.814 10.050 0.00 1.00 -ATOM 770 CCQ TOP 1 1 26.402 24.814 13.400 0.00 1.00 -ATOM 771 CCR TOP 1 1 26.402 24.814 16.750 0.00 1.00 -ATOM 772 CCS TOP 1 1 25.174 26.941 10.050 0.00 1.00 -ATOM 773 CCT TOP 1 1 25.174 26.941 13.400 0.00 1.00 -ATOM 774 CCU TOP 1 1 25.174 26.941 16.750 0.00 1.00 -ATOM 775 CCV TOP 1 1 23.946 29.068 10.050 0.00 1.00 -ATOM 776 CCW TOP 1 1 23.946 29.068 13.400 0.00 1.00 -ATOM 777 CCX TOP 1 1 23.946 29.068 16.750 0.00 1.00 -ATOM 778 CCY TOP 1 1 22.718 1.418 10.050 0.00 1.00 -ATOM 779 CCZ TOP 1 1 22.718 1.418 13.400 0.00 1.00 -ATOM 780 CCa TOP 1 1 22.718 1.418 16.750 0.00 1.00 -ATOM 781 CCb TOP 1 1 21.490 3.545 10.050 0.00 1.00 -ATOM 782 CCc TOP 1 1 21.490 3.545 13.400 0.00 1.00 -ATOM 783 CCd TOP 1 1 21.490 3.545 16.750 0.00 1.00 -ATOM 784 CCe TOP 1 1 20.262 5.672 10.050 0.00 1.00 -ATOM 785 CCf TOP 1 1 20.262 5.672 13.400 0.00 1.00 -ATOM 786 CCg TOP 1 1 20.262 5.672 16.750 0.00 1.00 -ATOM 787 CCh TOP 1 1 19.034 7.799 10.050 0.00 1.00 -ATOM 788 CCi TOP 1 1 19.034 7.799 13.400 0.00 1.00 -ATOM 789 CCj TOP 1 1 19.034 7.799 16.750 0.00 1.00 -ATOM 790 CCk TOP 1 1 17.806 9.926 10.050 0.00 1.00 -ATOM 791 CCl TOP 1 1 17.806 9.926 13.400 0.00 1.00 -ATOM 792 CCm TOP 1 1 17.806 9.926 16.750 0.00 1.00 -ATOM 793 CCn TOP 1 1 16.578 12.053 10.050 0.00 1.00 -ATOM 794 CCo TOP 1 1 16.578 12.053 13.400 0.00 1.00 -ATOM 795 CCp TOP 1 1 16.578 12.053 16.750 0.00 1.00 -ATOM 796 CCq TOP 1 1 15.350 14.180 10.050 0.00 1.00 -ATOM 797 CCr TOP 1 1 15.350 14.180 13.400 0.00 1.00 -ATOM 798 CCs TOP 1 1 15.350 14.180 16.750 0.00 1.00 -ATOM 799 CCt TOP 1 1 4.298 16.306 10.050 0.00 1.00 -ATOM 800 CCu TOP 1 1 4.298 16.306 13.400 0.00 1.00 -ATOM 801 CCv TOP 1 1 4.298 16.306 16.750 0.00 1.00 -ATOM 802 CCw TOP 1 1 3.070 18.433 10.050 0.00 1.00 -ATOM 803 CCx TOP 1 1 3.070 18.433 13.400 0.00 1.00 -ATOM 804 CCy TOP 1 1 3.070 18.433 16.750 0.00 1.00 -ATOM 805 CCz TOP 1 1 1.842 20.560 10.050 0.00 1.00 -ATOM 806 CD0 TOP 1 1 1.842 20.560 13.400 0.00 1.00 -ATOM 807 CD1 TOP 1 1 1.842 20.560 16.750 0.00 1.00 -ATOM 808 CD2 TOP 1 1 0.614 22.687 10.050 0.00 1.00 -ATOM 809 CD3 TOP 1 1 0.614 22.687 13.400 0.00 1.00 -ATOM 810 CD4 TOP 1 1 0.614 22.687 16.750 0.00 1.00 -ATOM 811 CD5 TOP 1 1 28.858 24.814 10.050 0.00 1.00 -ATOM 812 CD6 TOP 1 1 28.858 24.814 13.400 0.00 1.00 -ATOM 813 CD7 TOP 1 1 28.858 24.814 16.750 0.00 1.00 -ATOM 814 CD8 TOP 1 1 27.630 26.941 10.050 0.00 1.00 -ATOM 815 CD9 TOP 1 1 27.630 26.941 13.400 0.00 1.00 -ATOM 816 CDA TOP 1 1 27.630 26.941 16.750 0.00 1.00 -ATOM 817 CDB TOP 1 1 26.402 29.068 10.050 0.00 1.00 -ATOM 818 CDC TOP 1 1 26.402 29.068 13.400 0.00 1.00 -ATOM 819 CDD TOP 1 1 26.402 29.068 16.750 0.00 1.00 -ATOM 820 CDE TOP 1 1 25.174 1.418 10.050 0.00 1.00 -ATOM 821 CDF TOP 1 1 25.174 1.418 13.400 0.00 1.00 -ATOM 822 CDG TOP 1 1 25.174 1.418 16.750 0.00 1.00 -ATOM 823 CDH TOP 1 1 23.946 3.545 10.050 0.00 1.00 -ATOM 824 CDI TOP 1 1 23.946 3.545 13.400 0.00 1.00 -ATOM 825 CDJ TOP 1 1 23.946 3.545 16.750 0.00 1.00 -ATOM 826 CDK TOP 1 1 22.718 5.672 10.050 0.00 1.00 -ATOM 827 CDL TOP 1 1 22.718 5.672 13.400 0.00 1.00 -ATOM 828 CDM TOP 1 1 22.718 5.672 16.750 0.00 1.00 -ATOM 829 CDN TOP 1 1 21.490 7.799 10.050 0.00 1.00 -ATOM 830 CDO TOP 1 1 21.490 7.799 13.400 0.00 1.00 -ATOM 831 CDP TOP 1 1 21.490 7.799 16.750 0.00 1.00 -ATOM 832 CDQ TOP 1 1 20.262 9.926 10.050 0.00 1.00 -ATOM 833 CDR TOP 1 1 20.262 9.926 13.400 0.00 1.00 -ATOM 834 CDS TOP 1 1 20.262 9.926 16.750 0.00 1.00 -ATOM 835 CDT TOP 1 1 19.034 12.053 10.050 0.00 1.00 -ATOM 836 CDU TOP 1 1 19.034 12.053 13.400 0.00 1.00 -ATOM 837 CDV TOP 1 1 19.034 12.053 16.750 0.00 1.00 -ATOM 838 CDW TOP 1 1 17.806 14.180 10.050 0.00 1.00 -ATOM 839 CDX TOP 1 1 17.806 14.180 13.400 0.00 1.00 -ATOM 840 CDY TOP 1 1 17.806 14.180 16.750 0.00 1.00 -ATOM 841 CDZ TOP 1 1 6.754 16.306 10.050 0.00 1.00 -ATOM 842 CDa TOP 1 1 6.754 16.306 13.400 0.00 1.00 -ATOM 843 CDb TOP 1 1 6.754 16.306 16.750 0.00 1.00 -ATOM 844 CDc TOP 1 1 5.526 18.433 10.050 0.00 1.00 -ATOM 845 CDd TOP 1 1 5.526 18.433 13.400 0.00 1.00 -ATOM 846 CDe TOP 1 1 5.526 18.433 16.750 0.00 1.00 -ATOM 847 CDf TOP 1 1 4.298 20.560 10.050 0.00 1.00 -ATOM 848 CDg TOP 1 1 4.298 20.560 13.400 0.00 1.00 -ATOM 849 CDh TOP 1 1 4.298 20.560 16.750 0.00 1.00 -ATOM 850 CDi TOP 1 1 3.070 22.687 10.050 0.00 1.00 -ATOM 851 CDj TOP 1 1 3.070 22.687 13.400 0.00 1.00 -ATOM 852 CDk TOP 1 1 3.070 22.687 16.750 0.00 1.00 -ATOM 853 CDl TOP 1 1 1.842 24.814 10.050 0.00 1.00 -ATOM 854 CDm TOP 1 1 1.842 24.814 13.400 0.00 1.00 -ATOM 855 CDn TOP 1 1 1.842 24.814 16.750 0.00 1.00 -ATOM 856 CDo TOP 1 1 0.614 26.941 10.050 0.00 1.00 -ATOM 857 CDp TOP 1 1 0.614 26.941 13.400 0.00 1.00 -ATOM 858 CDq TOP 1 1 0.614 26.941 16.750 0.00 1.00 -ATOM 859 CDr TOP 1 1 28.858 29.068 10.050 0.00 1.00 -ATOM 860 CDs TOP 1 1 28.858 29.068 13.400 0.00 1.00 -ATOM 861 CDt TOP 1 1 28.858 29.068 16.750 0.00 1.00 -ATOM 862 CDu TOP 1 1 27.630 1.418 10.050 0.00 1.00 -ATOM 863 CDv TOP 1 1 27.630 1.418 13.400 0.00 1.00 -ATOM 864 CDw TOP 1 1 27.630 1.418 16.750 0.00 1.00 -ATOM 865 CDx TOP 1 1 26.402 3.545 10.050 0.00 1.00 -ATOM 866 CDy TOP 1 1 26.402 3.545 13.400 0.00 1.00 -ATOM 867 CDz TOP 1 1 26.402 3.545 16.750 0.00 1.00 -ATOM 868 CE0 TOP 1 1 25.174 5.672 10.050 0.00 1.00 -ATOM 869 CE1 TOP 1 1 25.174 5.672 13.400 0.00 1.00 -ATOM 870 CE2 TOP 1 1 25.174 5.672 16.750 0.00 1.00 -ATOM 871 CE3 TOP 1 1 23.946 7.799 10.050 0.00 1.00 -ATOM 872 CE4 TOP 1 1 23.946 7.799 13.400 0.00 1.00 -ATOM 873 CE5 TOP 1 1 23.946 7.799 16.750 0.00 1.00 -ATOM 874 CE6 TOP 1 1 22.718 9.926 10.050 0.00 1.00 -ATOM 875 CE7 TOP 1 1 22.718 9.926 13.400 0.00 1.00 -ATOM 876 CE8 TOP 1 1 22.718 9.926 16.750 0.00 1.00 -ATOM 877 CE9 TOP 1 1 21.490 12.053 10.050 0.00 1.00 -ATOM 878 CEA TOP 1 1 21.490 12.053 13.400 0.00 1.00 -ATOM 879 CEB TOP 1 1 21.490 12.053 16.750 0.00 1.00 -ATOM 880 CEC TOP 1 1 20.262 14.180 10.050 0.00 1.00 -ATOM 881 CED TOP 1 1 20.262 14.180 13.400 0.00 1.00 -ATOM 882 CEE TOP 1 1 20.262 14.180 16.750 0.00 1.00 -ATOM 883 CEF TOP 1 1 9.210 16.306 10.050 0.00 1.00 -ATOM 884 CEG TOP 1 1 9.210 16.306 13.400 0.00 1.00 -ATOM 885 CEH TOP 1 1 9.210 16.306 16.750 0.00 1.00 -ATOM 886 CEI TOP 1 1 7.982 18.433 10.050 0.00 1.00 -ATOM 887 CEJ TOP 1 1 7.982 18.433 13.400 0.00 1.00 -ATOM 888 CEK TOP 1 1 7.982 18.433 16.750 0.00 1.00 -ATOM 889 CEL TOP 1 1 6.754 20.560 10.050 0.00 1.00 -ATOM 890 CEM TOP 1 1 6.754 20.560 13.400 0.00 1.00 -ATOM 891 CEN TOP 1 1 6.754 20.560 16.750 0.00 1.00 -ATOM 892 CEO TOP 1 1 5.526 22.687 10.050 0.00 1.00 -ATOM 893 CEP TOP 1 1 5.526 22.687 13.400 0.00 1.00 -ATOM 894 CEQ TOP 1 1 5.526 22.687 16.750 0.00 1.00 -ATOM 895 CER TOP 1 1 4.298 24.814 10.050 0.00 1.00 -ATOM 896 CES TOP 1 1 4.298 24.814 13.400 0.00 1.00 -ATOM 897 CET TOP 1 1 4.298 24.814 16.750 0.00 1.00 -ATOM 898 CEU TOP 1 1 3.070 26.941 10.050 0.00 1.00 -ATOM 899 CEV TOP 1 1 3.070 26.941 13.400 0.00 1.00 -ATOM 900 CEW TOP 1 1 3.070 26.941 16.750 0.00 1.00 -ATOM 901 CEX TOP 1 1 1.842 29.068 10.050 0.00 1.00 -ATOM 902 CEY TOP 1 1 1.842 29.068 13.400 0.00 1.00 -ATOM 903 CEZ TOP 1 1 1.842 29.068 16.750 0.00 1.00 -ATOM 904 CEa TOP 1 1 0.614 1.418 10.050 0.00 1.00 -ATOM 905 CEb TOP 1 1 0.614 1.418 13.400 0.00 1.00 -ATOM 906 CEc TOP 1 1 0.614 1.418 16.750 0.00 1.00 -ATOM 907 CEd TOP 1 1 28.858 3.545 10.050 0.00 1.00 -ATOM 908 CEe TOP 1 1 28.858 3.545 13.400 0.00 1.00 -ATOM 909 CEf TOP 1 1 28.858 3.545 16.750 0.00 1.00 -ATOM 910 CEg TOP 1 1 27.630 5.672 10.050 0.00 1.00 -ATOM 911 CEh TOP 1 1 27.630 5.672 13.400 0.00 1.00 -ATOM 912 CEi TOP 1 1 27.630 5.672 16.750 0.00 1.00 -ATOM 913 CEj TOP 1 1 26.402 7.799 10.050 0.00 1.00 -ATOM 914 CEk TOP 1 1 26.402 7.799 13.400 0.00 1.00 -ATOM 915 CEl TOP 1 1 26.402 7.799 16.750 0.00 1.00 -ATOM 916 CEm TOP 1 1 25.174 9.926 10.050 0.00 1.00 -ATOM 917 CEn TOP 1 1 25.174 9.926 13.400 0.00 1.00 -ATOM 918 CEo TOP 1 1 25.174 9.926 16.750 0.00 1.00 -ATOM 919 CEp TOP 1 1 23.946 12.053 10.050 0.00 1.00 -ATOM 920 CEq TOP 1 1 23.946 12.053 13.400 0.00 1.00 -ATOM 921 CEr TOP 1 1 23.946 12.053 16.750 0.00 1.00 -ATOM 922 CEs TOP 1 1 22.718 14.180 10.050 0.00 1.00 -ATOM 923 CEt TOP 1 1 22.718 14.180 13.400 0.00 1.00 -ATOM 924 CEu TOP 1 1 22.718 14.180 16.750 0.00 1.00 -ATOM 925 CEv TOP 1 1 11.666 16.306 10.050 0.00 1.00 -ATOM 926 CEw TOP 1 1 11.666 16.306 13.400 0.00 1.00 -ATOM 927 CEx TOP 1 1 11.666 16.306 16.750 0.00 1.00 -ATOM 928 CEy TOP 1 1 10.438 18.433 10.050 0.00 1.00 -ATOM 929 CEz TOP 1 1 10.438 18.433 13.400 0.00 1.00 -ATOM 930 CF0 TOP 1 1 10.438 18.433 16.750 0.00 1.00 -ATOM 931 CF1 TOP 1 1 9.210 20.560 10.050 0.00 1.00 -ATOM 932 CF2 TOP 1 1 9.210 20.560 13.400 0.00 1.00 -ATOM 933 CF3 TOP 1 1 9.210 20.560 16.750 0.00 1.00 -ATOM 934 CF4 TOP 1 1 7.982 22.687 10.050 0.00 1.00 -ATOM 935 CF5 TOP 1 1 7.982 22.687 13.400 0.00 1.00 -ATOM 936 CF6 TOP 1 1 7.982 22.687 16.750 0.00 1.00 -ATOM 937 CF7 TOP 1 1 6.754 24.814 10.050 0.00 1.00 -ATOM 938 CF8 TOP 1 1 6.754 24.814 13.400 0.00 1.00 -ATOM 939 CF9 TOP 1 1 6.754 24.814 16.750 0.00 1.00 -ATOM 940 CFA TOP 1 1 5.526 26.941 10.050 0.00 1.00 -ATOM 941 CFB TOP 1 1 5.526 26.941 13.400 0.00 1.00 -ATOM 942 CFC TOP 1 1 5.526 26.941 16.750 0.00 1.00 -ATOM 943 CFD TOP 1 1 4.298 29.068 10.050 0.00 1.00 -ATOM 944 CFE TOP 1 1 4.298 29.068 13.400 0.00 1.00 -ATOM 945 CFF TOP 1 1 4.298 29.068 16.750 0.00 1.00 -ATOM 946 CFG TOP 1 1 3.070 1.418 10.050 0.00 1.00 -ATOM 947 CFH TOP 1 1 3.070 1.418 13.400 0.00 1.00 -ATOM 948 CFI TOP 1 1 3.070 1.418 16.750 0.00 1.00 -ATOM 949 CFJ TOP 1 1 1.842 3.545 10.050 0.00 1.00 -ATOM 950 CFK TOP 1 1 1.842 3.545 13.400 0.00 1.00 -ATOM 951 CFL TOP 1 1 1.842 3.545 16.750 0.00 1.00 -ATOM 952 CFM TOP 1 1 0.614 5.672 10.050 0.00 1.00 -ATOM 953 CFN TOP 1 1 0.614 5.672 13.400 0.00 1.00 -ATOM 954 CFO TOP 1 1 0.614 5.672 16.750 0.00 1.00 -ATOM 955 CFP TOP 1 1 28.858 7.799 10.050 0.00 1.00 -ATOM 956 CFQ TOP 1 1 28.858 7.799 13.400 0.00 1.00 -ATOM 957 CFR TOP 1 1 28.858 7.799 16.750 0.00 1.00 -ATOM 958 CFS TOP 1 1 27.630 9.926 10.050 0.00 1.00 -ATOM 959 CFT TOP 1 1 27.630 9.926 13.400 0.00 1.00 -ATOM 960 CFU TOP 1 1 27.630 9.926 16.750 0.00 1.00 -ATOM 961 CFV TOP 1 1 26.402 12.053 10.050 0.00 1.00 -ATOM 962 CFW TOP 1 1 26.402 12.053 13.400 0.00 1.00 -ATOM 963 CFX TOP 1 1 26.402 12.053 16.750 0.00 1.00 -ATOM 964 CFY TOP 1 1 25.174 14.180 10.050 0.00 1.00 -ATOM 965 CFZ TOP 1 1 25.174 14.180 13.400 0.00 1.00 -ATOM 966 CFa TOP 1 1 25.174 14.180 16.750 0.00 1.00 -ATOM 967 CFb TOP 1 1 14.122 16.306 10.050 0.00 1.00 -ATOM 968 CFc TOP 1 1 14.122 16.306 13.400 0.00 1.00 -ATOM 969 CFd TOP 1 1 14.122 16.306 16.750 0.00 1.00 -ATOM 970 CFe TOP 1 1 12.894 18.433 10.050 0.00 1.00 -ATOM 971 CFf TOP 1 1 12.894 18.433 13.400 0.00 1.00 -ATOM 972 CFg TOP 1 1 12.894 18.433 16.750 0.00 1.00 -ATOM 973 CFh TOP 1 1 11.666 20.560 10.050 0.00 1.00 -ATOM 974 CFi TOP 1 1 11.666 20.560 13.400 0.00 1.00 -ATOM 975 CFj TOP 1 1 11.666 20.560 16.750 0.00 1.00 -ATOM 976 CFk TOP 1 1 10.438 22.687 10.050 0.00 1.00 -ATOM 977 CFl TOP 1 1 10.438 22.687 13.400 0.00 1.00 -ATOM 978 CFm TOP 1 1 10.438 22.687 16.750 0.00 1.00 -ATOM 979 CFn TOP 1 1 9.210 24.814 10.050 0.00 1.00 -ATOM 980 CFo TOP 1 1 9.210 24.814 13.400 0.00 1.00 -ATOM 981 CFp TOP 1 1 9.210 24.814 16.750 0.00 1.00 -ATOM 982 CFq TOP 1 1 7.982 26.941 10.050 0.00 1.00 -ATOM 983 CFr TOP 1 1 7.982 26.941 13.400 0.00 1.00 -ATOM 984 CFs TOP 1 1 7.982 26.941 16.750 0.00 1.00 -ATOM 985 CFt TOP 1 1 6.754 29.068 10.050 0.00 1.00 -ATOM 986 CFu TOP 1 1 6.754 29.068 13.400 0.00 1.00 -ATOM 987 CFv TOP 1 1 6.754 29.068 16.750 0.00 1.00 -ATOM 988 CFw TOP 1 1 5.526 1.418 10.050 0.00 1.00 -ATOM 989 CFx TOP 1 1 5.526 1.418 13.400 0.00 1.00 -ATOM 990 CFy TOP 1 1 5.526 1.418 16.750 0.00 1.00 -ATOM 991 CFz TOP 1 1 4.298 3.545 10.050 0.00 1.00 -ATOM 992 CG0 TOP 1 1 4.298 3.545 13.400 0.00 1.00 -ATOM 993 CG1 TOP 1 1 4.298 3.545 16.750 0.00 1.00 -ATOM 994 CG2 TOP 1 1 3.070 5.672 10.050 0.00 1.00 -ATOM 995 CG3 TOP 1 1 3.070 5.672 13.400 0.00 1.00 -ATOM 996 CG4 TOP 1 1 3.070 5.672 16.750 0.00 1.00 -ATOM 997 CG5 TOP 1 1 1.842 7.799 10.050 0.00 1.00 -ATOM 998 CG6 TOP 1 1 1.842 7.799 13.400 0.00 1.00 -ATOM 999 CG7 TOP 1 1 1.842 7.799 16.750 0.00 1.00 -ATOM 1000 CG8 TOP 1 1 0.614 9.926 10.050 0.00 1.00 -ATOM 1001 CG9 TOP 1 1 0.614 9.926 13.400 0.00 1.00 -ATOM 1002 CGA TOP 1 1 0.614 9.926 16.750 0.00 1.00 -ATOM 1003 CGB TOP 1 1 28.858 12.053 10.050 0.00 1.00 -ATOM 1004 CGC TOP 1 1 28.858 12.053 13.400 0.00 1.00 -ATOM 1005 CGD TOP 1 1 28.858 12.053 16.750 0.00 1.00 -ATOM 1006 CGE TOP 1 1 27.630 14.180 10.050 0.00 1.00 -ATOM 1007 CGF TOP 1 1 27.630 14.180 13.400 0.00 1.00 -ATOM 1008 CGG TOP 1 1 27.630 14.180 16.750 0.00 1.00 -ATOM 1009 C1 BOT 1 2 15.350 15.597 0.000 0.00 1.00 -ATOM 1010 C2 BOT 1 2 15.350 15.597 3.350 0.00 1.00 -ATOM 1011 C3 BOT 1 2 15.350 15.597 6.700 0.00 1.00 -ATOM 1012 C4 BOT 1 2 14.122 17.724 0.000 0.00 1.00 -ATOM 1013 C5 BOT 1 2 14.122 17.724 3.350 0.00 1.00 -ATOM 1014 C6 BOT 1 2 14.122 17.724 6.700 0.00 1.00 -ATOM 1015 C7 BOT 1 2 12.894 19.851 0.000 0.00 1.00 -ATOM 1016 C8 BOT 1 2 12.894 19.851 3.350 0.00 1.00 -ATOM 1017 C9 BOT 1 2 12.894 19.851 6.700 0.00 1.00 -ATOM 1018 CA BOT 1 2 11.666 21.978 0.000 0.00 1.00 -ATOM 1019 CB BOT 1 2 11.666 21.978 3.350 0.00 1.00 -ATOM 1020 CC BOT 1 2 11.666 21.978 6.700 0.00 1.00 -ATOM 1021 CD BOT 1 2 10.438 24.105 0.000 0.00 1.00 -ATOM 1022 CE BOT 1 2 10.438 24.105 3.350 0.00 1.00 -ATOM 1023 CF BOT 1 2 10.438 24.105 6.700 0.00 1.00 -ATOM 1024 CG BOT 1 2 9.210 26.232 0.000 0.00 1.00 -ATOM 1025 CH BOT 1 2 9.210 26.232 3.350 0.00 1.00 -ATOM 1026 CI BOT 1 2 9.210 26.232 6.700 0.00 1.00 -ATOM 1027 CJ BOT 1 2 7.982 28.359 0.000 0.00 1.00 -ATOM 1028 CK BOT 1 2 7.982 28.359 3.350 0.00 1.00 -ATOM 1029 CL BOT 1 2 7.982 28.359 6.700 0.00 1.00 -ATOM 1030 CM BOT 1 2 6.754 0.709 0.000 0.00 1.00 -ATOM 1031 CN BOT 1 2 6.754 0.709 3.350 0.00 1.00 -ATOM 1032 CO BOT 1 2 6.754 0.709 6.700 0.00 1.00 -ATOM 1033 CP BOT 1 2 5.526 2.836 0.000 0.00 1.00 -ATOM 1034 CQ BOT 1 2 5.526 2.836 3.350 0.00 1.00 -ATOM 1035 CR BOT 1 2 5.526 2.836 6.700 0.00 1.00 -ATOM 1036 CS BOT 1 2 4.298 4.963 0.000 0.00 1.00 -ATOM 1037 CT BOT 1 2 4.298 4.963 3.350 0.00 1.00 -ATOM 1038 CU BOT 1 2 4.298 4.963 6.700 0.00 1.00 -ATOM 1039 CV BOT 1 2 3.070 7.090 0.000 0.00 1.00 -ATOM 1040 CW BOT 1 2 3.070 7.090 3.350 0.00 1.00 -ATOM 1041 CX BOT 1 2 3.070 7.090 6.700 0.00 1.00 -ATOM 1042 CY BOT 1 2 1.842 9.217 0.000 0.00 1.00 -ATOM 1043 CZ BOT 1 2 1.842 9.217 3.350 0.00 1.00 -ATOM 1044 Ca BOT 1 2 1.842 9.217 6.700 0.00 1.00 -ATOM 1045 Cb BOT 1 2 0.614 11.344 0.000 0.00 1.00 -ATOM 1046 Cc BOT 1 2 0.614 11.344 3.350 0.00 1.00 -ATOM 1047 Cd BOT 1 2 0.614 11.344 6.700 0.00 1.00 -ATOM 1048 Ce BOT 1 2 28.858 13.471 0.000 0.00 1.00 -ATOM 1049 Cf BOT 1 2 28.858 13.471 3.350 0.00 1.00 -ATOM 1050 Cg BOT 1 2 28.858 13.471 6.700 0.00 1.00 -ATOM 1051 Ch BOT 1 2 17.806 15.597 0.000 0.00 1.00 -ATOM 1052 Ci BOT 1 2 17.806 15.597 3.350 0.00 1.00 -ATOM 1053 Cj BOT 1 2 17.806 15.597 6.700 0.00 1.00 -ATOM 1054 Ck BOT 1 2 16.578 17.724 0.000 0.00 1.00 -ATOM 1055 Cl BOT 1 2 16.578 17.724 3.350 0.00 1.00 -ATOM 1056 Cm BOT 1 2 16.578 17.724 6.700 0.00 1.00 -ATOM 1057 Cn BOT 1 2 15.350 19.851 0.000 0.00 1.00 -ATOM 1058 Co BOT 1 2 15.350 19.851 3.350 0.00 1.00 -ATOM 1059 Cp BOT 1 2 15.350 19.851 6.700 0.00 1.00 -ATOM 1060 Cq BOT 1 2 14.122 21.978 0.000 0.00 1.00 -ATOM 1061 Cr BOT 1 2 14.122 21.978 3.350 0.00 1.00 -ATOM 1062 Cs BOT 1 2 14.122 21.978 6.700 0.00 1.00 -ATOM 1063 Ct BOT 1 2 12.894 24.105 0.000 0.00 1.00 -ATOM 1064 Cu BOT 1 2 12.894 24.105 3.350 0.00 1.00 -ATOM 1065 Cv BOT 1 2 12.894 24.105 6.700 0.00 1.00 -ATOM 1066 Cw BOT 1 2 11.666 26.232 0.000 0.00 1.00 -ATOM 1067 Cx BOT 1 2 11.666 26.232 3.350 0.00 1.00 -ATOM 1068 Cy BOT 1 2 11.666 26.232 6.700 0.00 1.00 -ATOM 1069 Cz BOT 1 2 10.438 28.359 0.000 0.00 1.00 -ATOM 1070 C10 BOT 1 2 10.438 28.359 3.350 0.00 1.00 -ATOM 1071 C11 BOT 1 2 10.438 28.359 6.700 0.00 1.00 -ATOM 1072 C12 BOT 1 2 9.210 0.709 0.000 0.00 1.00 -ATOM 1073 C13 BOT 1 2 9.210 0.709 3.350 0.00 1.00 -ATOM 1074 C14 BOT 1 2 9.210 0.709 6.700 0.00 1.00 -ATOM 1075 C15 BOT 1 2 7.982 2.836 0.000 0.00 1.00 -ATOM 1076 C16 BOT 1 2 7.982 2.836 3.350 0.00 1.00 -ATOM 1077 C17 BOT 1 2 7.982 2.836 6.700 0.00 1.00 -ATOM 1078 C18 BOT 1 2 6.754 4.963 0.000 0.00 1.00 -ATOM 1079 C19 BOT 1 2 6.754 4.963 3.350 0.00 1.00 -ATOM 1080 C1A BOT 1 2 6.754 4.963 6.700 0.00 1.00 -ATOM 1081 C1B BOT 1 2 5.526 7.090 0.000 0.00 1.00 -ATOM 1082 C1C BOT 1 2 5.526 7.090 3.350 0.00 1.00 -ATOM 1083 C1D BOT 1 2 5.526 7.090 6.700 0.00 1.00 -ATOM 1084 C1E BOT 1 2 4.298 9.217 0.000 0.00 1.00 -ATOM 1085 C1F BOT 1 2 4.298 9.217 3.350 0.00 1.00 -ATOM 1086 C1G BOT 1 2 4.298 9.217 6.700 0.00 1.00 -ATOM 1087 C1H BOT 1 2 3.070 11.344 0.000 0.00 1.00 -ATOM 1088 C1I BOT 1 2 3.070 11.344 3.350 0.00 1.00 -ATOM 1089 C1J BOT 1 2 3.070 11.344 6.700 0.00 1.00 -ATOM 1090 C1K BOT 1 2 1.842 13.471 0.000 0.00 1.00 -ATOM 1091 C1L BOT 1 2 1.842 13.471 3.350 0.00 1.00 -ATOM 1092 C1M BOT 1 2 1.842 13.471 6.700 0.00 1.00 -ATOM 1093 C1N BOT 1 2 20.262 15.597 0.000 0.00 1.00 -ATOM 1094 C1O BOT 1 2 20.262 15.597 3.350 0.00 1.00 -ATOM 1095 C1P BOT 1 2 20.262 15.597 6.700 0.00 1.00 -ATOM 1096 C1Q BOT 1 2 19.034 17.724 0.000 0.00 1.00 -ATOM 1097 C1R BOT 1 2 19.034 17.724 3.350 0.00 1.00 -ATOM 1098 C1S BOT 1 2 19.034 17.724 6.700 0.00 1.00 -ATOM 1099 C1T BOT 1 2 17.806 19.851 0.000 0.00 1.00 -ATOM 1100 C1U BOT 1 2 17.806 19.851 3.350 0.00 1.00 -ATOM 1101 C1V BOT 1 2 17.806 19.851 6.700 0.00 1.00 -ATOM 1102 C1W BOT 1 2 16.578 21.978 0.000 0.00 1.00 -ATOM 1103 C1X BOT 1 2 16.578 21.978 3.350 0.00 1.00 -ATOM 1104 C1Y BOT 1 2 16.578 21.978 6.700 0.00 1.00 -ATOM 1105 C1Z BOT 1 2 15.350 24.105 0.000 0.00 1.00 -ATOM 1106 C1a BOT 1 2 15.350 24.105 3.350 0.00 1.00 -ATOM 1107 C1b BOT 1 2 15.350 24.105 6.700 0.00 1.00 -ATOM 1108 C1c BOT 1 2 14.122 26.232 0.000 0.00 1.00 -ATOM 1109 C1d BOT 1 2 14.122 26.232 3.350 0.00 1.00 -ATOM 1110 C1e BOT 1 2 14.122 26.232 6.700 0.00 1.00 -ATOM 1111 C1f BOT 1 2 12.894 28.359 0.000 0.00 1.00 -ATOM 1112 C1g BOT 1 2 12.894 28.359 3.350 0.00 1.00 -ATOM 1113 C1h BOT 1 2 12.894 28.359 6.700 0.00 1.00 -ATOM 1114 C1i BOT 1 2 11.666 0.709 0.000 0.00 1.00 -ATOM 1115 C1j BOT 1 2 11.666 0.709 3.350 0.00 1.00 -ATOM 1116 C1k BOT 1 2 11.666 0.709 6.700 0.00 1.00 -ATOM 1117 C1l BOT 1 2 10.438 2.836 0.000 0.00 1.00 -ATOM 1118 C1m BOT 1 2 10.438 2.836 3.350 0.00 1.00 -ATOM 1119 C1n BOT 1 2 10.438 2.836 6.700 0.00 1.00 -ATOM 1120 C1o BOT 1 2 9.210 4.963 0.000 0.00 1.00 -ATOM 1121 C1p BOT 1 2 9.210 4.963 3.350 0.00 1.00 -ATOM 1122 C1q BOT 1 2 9.210 4.963 6.700 0.00 1.00 -ATOM 1123 C1r BOT 1 2 7.982 7.090 0.000 0.00 1.00 -ATOM 1124 C1s BOT 1 2 7.982 7.090 3.350 0.00 1.00 -ATOM 1125 C1t BOT 1 2 7.982 7.090 6.700 0.00 1.00 -ATOM 1126 C1u BOT 1 2 6.754 9.217 0.000 0.00 1.00 -ATOM 1127 C1v BOT 1 2 6.754 9.217 3.350 0.00 1.00 -ATOM 1128 C1w BOT 1 2 6.754 9.217 6.700 0.00 1.00 -ATOM 1129 C1x BOT 1 2 5.526 11.344 0.000 0.00 1.00 -ATOM 1130 C1y BOT 1 2 5.526 11.344 3.350 0.00 1.00 -ATOM 1131 C1z BOT 1 2 5.526 11.344 6.700 0.00 1.00 -ATOM 1132 C20 BOT 1 2 4.298 13.471 0.000 0.00 1.00 -ATOM 1133 C21 BOT 1 2 4.298 13.471 3.350 0.00 1.00 -ATOM 1134 C22 BOT 1 2 4.298 13.471 6.700 0.00 1.00 -ATOM 1135 C23 BOT 1 2 22.718 15.597 0.000 0.00 1.00 -ATOM 1136 C24 BOT 1 2 22.718 15.597 3.350 0.00 1.00 -ATOM 1137 C25 BOT 1 2 22.718 15.597 6.700 0.00 1.00 -ATOM 1138 C26 BOT 1 2 21.490 17.724 0.000 0.00 1.00 -ATOM 1139 C27 BOT 1 2 21.490 17.724 3.350 0.00 1.00 -ATOM 1140 C28 BOT 1 2 21.490 17.724 6.700 0.00 1.00 -ATOM 1141 C29 BOT 1 2 20.262 19.851 0.000 0.00 1.00 -ATOM 1142 C2A BOT 1 2 20.262 19.851 3.350 0.00 1.00 -ATOM 1143 C2B BOT 1 2 20.262 19.851 6.700 0.00 1.00 -ATOM 1144 C2C BOT 1 2 19.034 21.978 0.000 0.00 1.00 -ATOM 1145 C2D BOT 1 2 19.034 21.978 3.350 0.00 1.00 -ATOM 1146 C2E BOT 1 2 19.034 21.978 6.700 0.00 1.00 -ATOM 1147 C2F BOT 1 2 17.806 24.105 0.000 0.00 1.00 -ATOM 1148 C2G BOT 1 2 17.806 24.105 3.350 0.00 1.00 -ATOM 1149 C2H BOT 1 2 17.806 24.105 6.700 0.00 1.00 -ATOM 1150 C2I BOT 1 2 16.578 26.232 0.000 0.00 1.00 -ATOM 1151 C2J BOT 1 2 16.578 26.232 3.350 0.00 1.00 -ATOM 1152 C2K BOT 1 2 16.578 26.232 6.700 0.00 1.00 -ATOM 1153 C2L BOT 1 2 15.350 28.359 0.000 0.00 1.00 -ATOM 1154 C2M BOT 1 2 15.350 28.359 3.350 0.00 1.00 -ATOM 1155 C2N BOT 1 2 15.350 28.359 6.700 0.00 1.00 -ATOM 1156 C2O BOT 1 2 14.122 0.709 0.000 0.00 1.00 -ATOM 1157 C2P BOT 1 2 14.122 0.709 3.350 0.00 1.00 -ATOM 1158 C2Q BOT 1 2 14.122 0.709 6.700 0.00 1.00 -ATOM 1159 C2R BOT 1 2 12.894 2.836 0.000 0.00 1.00 -ATOM 1160 C2S BOT 1 2 12.894 2.836 3.350 0.00 1.00 -ATOM 1161 C2T BOT 1 2 12.894 2.836 6.700 0.00 1.00 -ATOM 1162 C2U BOT 1 2 11.666 4.963 0.000 0.00 1.00 -ATOM 1163 C2V BOT 1 2 11.666 4.963 3.350 0.00 1.00 -ATOM 1164 C2W BOT 1 2 11.666 4.963 6.700 0.00 1.00 -ATOM 1165 C2X BOT 1 2 10.438 7.090 0.000 0.00 1.00 -ATOM 1166 C2Y BOT 1 2 10.438 7.090 3.350 0.00 1.00 -ATOM 1167 C2Z BOT 1 2 10.438 7.090 6.700 0.00 1.00 -ATOM 1168 C2a BOT 1 2 9.210 9.217 0.000 0.00 1.00 -ATOM 1169 C2b BOT 1 2 9.210 9.217 3.350 0.00 1.00 -ATOM 1170 C2c BOT 1 2 9.210 9.217 6.700 0.00 1.00 -ATOM 1171 C2d BOT 1 2 7.982 11.344 0.000 0.00 1.00 -ATOM 1172 C2e BOT 1 2 7.982 11.344 3.350 0.00 1.00 -ATOM 1173 C2f BOT 1 2 7.982 11.344 6.700 0.00 1.00 -ATOM 1174 C2g BOT 1 2 6.754 13.471 0.000 0.00 1.00 -ATOM 1175 C2h BOT 1 2 6.754 13.471 3.350 0.00 1.00 -ATOM 1176 C2i BOT 1 2 6.754 13.471 6.700 0.00 1.00 -ATOM 1177 C2j BOT 1 2 25.174 15.597 0.000 0.00 1.00 -ATOM 1178 C2k BOT 1 2 25.174 15.597 3.350 0.00 1.00 -ATOM 1179 C2l BOT 1 2 25.174 15.597 6.700 0.00 1.00 -ATOM 1180 C2m BOT 1 2 23.946 17.724 0.000 0.00 1.00 -ATOM 1181 C2n BOT 1 2 23.946 17.724 3.350 0.00 1.00 -ATOM 1182 C2o BOT 1 2 23.946 17.724 6.700 0.00 1.00 -ATOM 1183 C2p BOT 1 2 22.718 19.851 0.000 0.00 1.00 -ATOM 1184 C2q BOT 1 2 22.718 19.851 3.350 0.00 1.00 -ATOM 1185 C2r BOT 1 2 22.718 19.851 6.700 0.00 1.00 -ATOM 1186 C2s BOT 1 2 21.490 21.978 0.000 0.00 1.00 -ATOM 1187 C2t BOT 1 2 21.490 21.978 3.350 0.00 1.00 -ATOM 1188 C2u BOT 1 2 21.490 21.978 6.700 0.00 1.00 -ATOM 1189 C2v BOT 1 2 20.262 24.105 0.000 0.00 1.00 -ATOM 1190 C2w BOT 1 2 20.262 24.105 3.350 0.00 1.00 -ATOM 1191 C2x BOT 1 2 20.262 24.105 6.700 0.00 1.00 -ATOM 1192 C2y BOT 1 2 19.034 26.232 0.000 0.00 1.00 -ATOM 1193 C2z BOT 1 2 19.034 26.232 3.350 0.00 1.00 -ATOM 1194 C30 BOT 1 2 19.034 26.232 6.700 0.00 1.00 -ATOM 1195 C31 BOT 1 2 17.806 28.359 0.000 0.00 1.00 -ATOM 1196 C32 BOT 1 2 17.806 28.359 3.350 0.00 1.00 -ATOM 1197 C33 BOT 1 2 17.806 28.359 6.700 0.00 1.00 -ATOM 1198 C34 BOT 1 2 16.578 0.709 0.000 0.00 1.00 -ATOM 1199 C35 BOT 1 2 16.578 0.709 3.350 0.00 1.00 -ATOM 1200 C36 BOT 1 2 16.578 0.709 6.700 0.00 1.00 -ATOM 1201 C37 BOT 1 2 15.350 2.836 0.000 0.00 1.00 -ATOM 1202 C38 BOT 1 2 15.350 2.836 3.350 0.00 1.00 -ATOM 1203 C39 BOT 1 2 15.350 2.836 6.700 0.00 1.00 -ATOM 1204 C3A BOT 1 2 14.122 4.963 0.000 0.00 1.00 -ATOM 1205 C3B BOT 1 2 14.122 4.963 3.350 0.00 1.00 -ATOM 1206 C3C BOT 1 2 14.122 4.963 6.700 0.00 1.00 -ATOM 1207 C3D BOT 1 2 12.894 7.090 0.000 0.00 1.00 -ATOM 1208 C3E BOT 1 2 12.894 7.090 3.350 0.00 1.00 -ATOM 1209 C3F BOT 1 2 12.894 7.090 6.700 0.00 1.00 -ATOM 1210 C3G BOT 1 2 11.666 9.217 0.000 0.00 1.00 -ATOM 1211 C3H BOT 1 2 11.666 9.217 3.350 0.00 1.00 -ATOM 1212 C3I BOT 1 2 11.666 9.217 6.700 0.00 1.00 -ATOM 1213 C3J BOT 1 2 10.438 11.344 0.000 0.00 1.00 -ATOM 1214 C3K BOT 1 2 10.438 11.344 3.350 0.00 1.00 -ATOM 1215 C3L BOT 1 2 10.438 11.344 6.700 0.00 1.00 -ATOM 1216 C3M BOT 1 2 9.210 13.471 0.000 0.00 1.00 -ATOM 1217 C3N BOT 1 2 9.210 13.471 3.350 0.00 1.00 -ATOM 1218 C3O BOT 1 2 9.210 13.471 6.700 0.00 1.00 -ATOM 1219 C3P BOT 1 2 27.630 15.597 0.000 0.00 1.00 -ATOM 1220 C3Q BOT 1 2 27.630 15.597 3.350 0.00 1.00 -ATOM 1221 C3R BOT 1 2 27.630 15.597 6.700 0.00 1.00 -ATOM 1222 C3S BOT 1 2 26.402 17.724 0.000 0.00 1.00 -ATOM 1223 C3T BOT 1 2 26.402 17.724 3.350 0.00 1.00 -ATOM 1224 C3U BOT 1 2 26.402 17.724 6.700 0.00 1.00 -ATOM 1225 C3V BOT 1 2 25.174 19.851 0.000 0.00 1.00 -ATOM 1226 C3W BOT 1 2 25.174 19.851 3.350 0.00 1.00 -ATOM 1227 C3X BOT 1 2 25.174 19.851 6.700 0.00 1.00 -ATOM 1228 C3Y BOT 1 2 23.946 21.978 0.000 0.00 1.00 -ATOM 1229 C3Z BOT 1 2 23.946 21.978 3.350 0.00 1.00 -ATOM 1230 C3a BOT 1 2 23.946 21.978 6.700 0.00 1.00 -ATOM 1231 C3b BOT 1 2 22.718 24.105 0.000 0.00 1.00 -ATOM 1232 C3c BOT 1 2 22.718 24.105 3.350 0.00 1.00 -ATOM 1233 C3d BOT 1 2 22.718 24.105 6.700 0.00 1.00 -ATOM 1234 C3e BOT 1 2 21.490 26.232 0.000 0.00 1.00 -ATOM 1235 C3f BOT 1 2 21.490 26.232 3.350 0.00 1.00 -ATOM 1236 C3g BOT 1 2 21.490 26.232 6.700 0.00 1.00 -ATOM 1237 C3h BOT 1 2 20.262 28.359 0.000 0.00 1.00 -ATOM 1238 C3i BOT 1 2 20.262 28.359 3.350 0.00 1.00 -ATOM 1239 C3j BOT 1 2 20.262 28.359 6.700 0.00 1.00 -ATOM 1240 C3k BOT 1 2 19.034 0.709 0.000 0.00 1.00 -ATOM 1241 C3l BOT 1 2 19.034 0.709 3.350 0.00 1.00 -ATOM 1242 C3m BOT 1 2 19.034 0.709 6.700 0.00 1.00 -ATOM 1243 C3n BOT 1 2 17.806 2.836 0.000 0.00 1.00 -ATOM 1244 C3o BOT 1 2 17.806 2.836 3.350 0.00 1.00 -ATOM 1245 C3p BOT 1 2 17.806 2.836 6.700 0.00 1.00 -ATOM 1246 C3q BOT 1 2 16.578 4.963 0.000 0.00 1.00 -ATOM 1247 C3r BOT 1 2 16.578 4.963 3.350 0.00 1.00 -ATOM 1248 C3s BOT 1 2 16.578 4.963 6.700 0.00 1.00 -ATOM 1249 C3t BOT 1 2 15.350 7.090 0.000 0.00 1.00 -ATOM 1250 C3u BOT 1 2 15.350 7.090 3.350 0.00 1.00 -ATOM 1251 C3v BOT 1 2 15.350 7.090 6.700 0.00 1.00 -ATOM 1252 C3w BOT 1 2 14.122 9.217 0.000 0.00 1.00 -ATOM 1253 C3x BOT 1 2 14.122 9.217 3.350 0.00 1.00 -ATOM 1254 C3y BOT 1 2 14.122 9.217 6.700 0.00 1.00 -ATOM 1255 C3z BOT 1 2 12.894 11.344 0.000 0.00 1.00 -ATOM 1256 C40 BOT 1 2 12.894 11.344 3.350 0.00 1.00 -ATOM 1257 C41 BOT 1 2 12.894 11.344 6.700 0.00 1.00 -ATOM 1258 C42 BOT 1 2 11.666 13.471 0.000 0.00 1.00 -ATOM 1259 C43 BOT 1 2 11.666 13.471 3.350 0.00 1.00 -ATOM 1260 C44 BOT 1 2 11.666 13.471 6.700 0.00 1.00 -ATOM 1261 C45 BOT 1 2 0.614 15.597 0.000 0.00 1.00 -ATOM 1262 C46 BOT 1 2 0.614 15.597 3.350 0.00 1.00 -ATOM 1263 C47 BOT 1 2 0.614 15.597 6.700 0.00 1.00 -ATOM 1264 C48 BOT 1 2 28.858 17.724 0.000 0.00 1.00 -ATOM 1265 C49 BOT 1 2 28.858 17.724 3.350 0.00 1.00 -ATOM 1266 C4A BOT 1 2 28.858 17.724 6.700 0.00 1.00 -ATOM 1267 C4B BOT 1 2 27.630 19.851 0.000 0.00 1.00 -ATOM 1268 C4C BOT 1 2 27.630 19.851 3.350 0.00 1.00 -ATOM 1269 C4D BOT 1 2 27.630 19.851 6.700 0.00 1.00 -ATOM 1270 C4E BOT 1 2 26.402 21.978 0.000 0.00 1.00 -ATOM 1271 C4F BOT 1 2 26.402 21.978 3.350 0.00 1.00 -ATOM 1272 C4G BOT 1 2 26.402 21.978 6.700 0.00 1.00 -ATOM 1273 C4H BOT 1 2 25.174 24.105 0.000 0.00 1.00 -ATOM 1274 C4I BOT 1 2 25.174 24.105 3.350 0.00 1.00 -ATOM 1275 C4J BOT 1 2 25.174 24.105 6.700 0.00 1.00 -ATOM 1276 C4K BOT 1 2 23.946 26.232 0.000 0.00 1.00 -ATOM 1277 C4L BOT 1 2 23.946 26.232 3.350 0.00 1.00 -ATOM 1278 C4M BOT 1 2 23.946 26.232 6.700 0.00 1.00 -ATOM 1279 C4N BOT 1 2 22.718 28.359 0.000 0.00 1.00 -ATOM 1280 C4O BOT 1 2 22.718 28.359 3.350 0.00 1.00 -ATOM 1281 C4P BOT 1 2 22.718 28.359 6.700 0.00 1.00 -ATOM 1282 C4Q BOT 1 2 21.490 0.709 0.000 0.00 1.00 -ATOM 1283 C4R BOT 1 2 21.490 0.709 3.350 0.00 1.00 -ATOM 1284 C4S BOT 1 2 21.490 0.709 6.700 0.00 1.00 -ATOM 1285 C4T BOT 1 2 20.262 2.836 0.000 0.00 1.00 -ATOM 1286 C4U BOT 1 2 20.262 2.836 3.350 0.00 1.00 -ATOM 1287 C4V BOT 1 2 20.262 2.836 6.700 0.00 1.00 -ATOM 1288 C4W BOT 1 2 19.034 4.963 0.000 0.00 1.00 -ATOM 1289 C4X BOT 1 2 19.034 4.963 3.350 0.00 1.00 -ATOM 1290 C4Y BOT 1 2 19.034 4.963 6.700 0.00 1.00 -ATOM 1291 C4Z BOT 1 2 17.806 7.090 0.000 0.00 1.00 -ATOM 1292 C4a BOT 1 2 17.806 7.090 3.350 0.00 1.00 -ATOM 1293 C4b BOT 1 2 17.806 7.090 6.700 0.00 1.00 -ATOM 1294 C4c BOT 1 2 16.578 9.217 0.000 0.00 1.00 -ATOM 1295 C4d BOT 1 2 16.578 9.217 3.350 0.00 1.00 -ATOM 1296 C4e BOT 1 2 16.578 9.217 6.700 0.00 1.00 -ATOM 1297 C4f BOT 1 2 15.350 11.344 0.000 0.00 1.00 -ATOM 1298 C4g BOT 1 2 15.350 11.344 3.350 0.00 1.00 -ATOM 1299 C4h BOT 1 2 15.350 11.344 6.700 0.00 1.00 -ATOM 1300 C4i BOT 1 2 14.122 13.471 0.000 0.00 1.00 -ATOM 1301 C4j BOT 1 2 14.122 13.471 3.350 0.00 1.00 -ATOM 1302 C4k BOT 1 2 14.122 13.471 6.700 0.00 1.00 -ATOM 1303 C4l BOT 1 2 3.070 15.597 0.000 0.00 1.00 -ATOM 1304 C4m BOT 1 2 3.070 15.597 3.350 0.00 1.00 -ATOM 1305 C4n BOT 1 2 3.070 15.597 6.700 0.00 1.00 -ATOM 1306 C4o BOT 1 2 1.842 17.724 0.000 0.00 1.00 -ATOM 1307 C4p BOT 1 2 1.842 17.724 3.350 0.00 1.00 -ATOM 1308 C4q BOT 1 2 1.842 17.724 6.700 0.00 1.00 -ATOM 1309 C4r BOT 1 2 0.614 19.851 0.000 0.00 1.00 -ATOM 1310 C4s BOT 1 2 0.614 19.851 3.350 0.00 1.00 -ATOM 1311 C4t BOT 1 2 0.614 19.851 6.700 0.00 1.00 -ATOM 1312 C4u BOT 1 2 28.858 21.978 0.000 0.00 1.00 -ATOM 1313 C4v BOT 1 2 28.858 21.978 3.350 0.00 1.00 -ATOM 1314 C4w BOT 1 2 28.858 21.978 6.700 0.00 1.00 -ATOM 1315 C4x BOT 1 2 27.630 24.105 0.000 0.00 1.00 -ATOM 1316 C4y BOT 1 2 27.630 24.105 3.350 0.00 1.00 -ATOM 1317 C4z BOT 1 2 27.630 24.105 6.700 0.00 1.00 -ATOM 1318 C50 BOT 1 2 26.402 26.232 0.000 0.00 1.00 -ATOM 1319 C51 BOT 1 2 26.402 26.232 3.350 0.00 1.00 -ATOM 1320 C52 BOT 1 2 26.402 26.232 6.700 0.00 1.00 -ATOM 1321 C53 BOT 1 2 25.174 28.359 0.000 0.00 1.00 -ATOM 1322 C54 BOT 1 2 25.174 28.359 3.350 0.00 1.00 -ATOM 1323 C55 BOT 1 2 25.174 28.359 6.700 0.00 1.00 -ATOM 1324 C56 BOT 1 2 23.946 0.709 0.000 0.00 1.00 -ATOM 1325 C57 BOT 1 2 23.946 0.709 3.350 0.00 1.00 -ATOM 1326 C58 BOT 1 2 23.946 0.709 6.700 0.00 1.00 -ATOM 1327 C59 BOT 1 2 22.718 2.836 0.000 0.00 1.00 -ATOM 1328 C5A BOT 1 2 22.718 2.836 3.350 0.00 1.00 -ATOM 1329 C5B BOT 1 2 22.718 2.836 6.700 0.00 1.00 -ATOM 1330 C5C BOT 1 2 21.490 4.963 0.000 0.00 1.00 -ATOM 1331 C5D BOT 1 2 21.490 4.963 3.350 0.00 1.00 -ATOM 1332 C5E BOT 1 2 21.490 4.963 6.700 0.00 1.00 -ATOM 1333 C5F BOT 1 2 20.262 7.090 0.000 0.00 1.00 -ATOM 1334 C5G BOT 1 2 20.262 7.090 3.350 0.00 1.00 -ATOM 1335 C5H BOT 1 2 20.262 7.090 6.700 0.00 1.00 -ATOM 1336 C5I BOT 1 2 19.034 9.217 0.000 0.00 1.00 -ATOM 1337 C5J BOT 1 2 19.034 9.217 3.350 0.00 1.00 -ATOM 1338 C5K BOT 1 2 19.034 9.217 6.700 0.00 1.00 -ATOM 1339 C5L BOT 1 2 17.806 11.344 0.000 0.00 1.00 -ATOM 1340 C5M BOT 1 2 17.806 11.344 3.350 0.00 1.00 -ATOM 1341 C5N BOT 1 2 17.806 11.344 6.700 0.00 1.00 -ATOM 1342 C5O BOT 1 2 16.578 13.471 0.000 0.00 1.00 -ATOM 1343 C5P BOT 1 2 16.578 13.471 3.350 0.00 1.00 -ATOM 1344 C5Q BOT 1 2 16.578 13.471 6.700 0.00 1.00 -ATOM 1345 C5R BOT 1 2 5.526 15.597 0.000 0.00 1.00 -ATOM 1346 C5S BOT 1 2 5.526 15.597 3.350 0.00 1.00 -ATOM 1347 C5T BOT 1 2 5.526 15.597 6.700 0.00 1.00 -ATOM 1348 C5U BOT 1 2 4.298 17.724 0.000 0.00 1.00 -ATOM 1349 C5V BOT 1 2 4.298 17.724 3.350 0.00 1.00 -ATOM 1350 C5W BOT 1 2 4.298 17.724 6.700 0.00 1.00 -ATOM 1351 C5X BOT 1 2 3.070 19.851 0.000 0.00 1.00 -ATOM 1352 C5Y BOT 1 2 3.070 19.851 3.350 0.00 1.00 -ATOM 1353 C5Z BOT 1 2 3.070 19.851 6.700 0.00 1.00 -ATOM 1354 C5a BOT 1 2 1.842 21.978 0.000 0.00 1.00 -ATOM 1355 C5b BOT 1 2 1.842 21.978 3.350 0.00 1.00 -ATOM 1356 C5c BOT 1 2 1.842 21.978 6.700 0.00 1.00 -ATOM 1357 C5d BOT 1 2 0.614 24.105 0.000 0.00 1.00 -ATOM 1358 C5e BOT 1 2 0.614 24.105 3.350 0.00 1.00 -ATOM 1359 C5f BOT 1 2 0.614 24.105 6.700 0.00 1.00 -ATOM 1360 C5g BOT 1 2 28.858 26.232 0.000 0.00 1.00 -ATOM 1361 C5h BOT 1 2 28.858 26.232 3.350 0.00 1.00 -ATOM 1362 C5i BOT 1 2 28.858 26.232 6.700 0.00 1.00 -ATOM 1363 C5j BOT 1 2 27.630 28.359 0.000 0.00 1.00 -ATOM 1364 C5k BOT 1 2 27.630 28.359 3.350 0.00 1.00 -ATOM 1365 C5l BOT 1 2 27.630 28.359 6.700 0.00 1.00 -ATOM 1366 C5m BOT 1 2 26.402 0.709 0.000 0.00 1.00 -ATOM 1367 C5n BOT 1 2 26.402 0.709 3.350 0.00 1.00 -ATOM 1368 C5o BOT 1 2 26.402 0.709 6.700 0.00 1.00 -ATOM 1369 C5p BOT 1 2 25.174 2.836 0.000 0.00 1.00 -ATOM 1370 C5q BOT 1 2 25.174 2.836 3.350 0.00 1.00 -ATOM 1371 C5r BOT 1 2 25.174 2.836 6.700 0.00 1.00 -ATOM 1372 C5s BOT 1 2 23.946 4.963 0.000 0.00 1.00 -ATOM 1373 C5t BOT 1 2 23.946 4.963 3.350 0.00 1.00 -ATOM 1374 C5u BOT 1 2 23.946 4.963 6.700 0.00 1.00 -ATOM 1375 C5v BOT 1 2 22.718 7.090 0.000 0.00 1.00 -ATOM 1376 C5w BOT 1 2 22.718 7.090 3.350 0.00 1.00 -ATOM 1377 C5x BOT 1 2 22.718 7.090 6.700 0.00 1.00 -ATOM 1378 C5y BOT 1 2 21.490 9.217 0.000 0.00 1.00 -ATOM 1379 C5z BOT 1 2 21.490 9.217 3.350 0.00 1.00 -ATOM 1380 C60 BOT 1 2 21.490 9.217 6.700 0.00 1.00 -ATOM 1381 C61 BOT 1 2 20.262 11.344 0.000 0.00 1.00 -ATOM 1382 C62 BOT 1 2 20.262 11.344 3.350 0.00 1.00 -ATOM 1383 C63 BOT 1 2 20.262 11.344 6.700 0.00 1.00 -ATOM 1384 C64 BOT 1 2 19.034 13.471 0.000 0.00 1.00 -ATOM 1385 C65 BOT 1 2 19.034 13.471 3.350 0.00 1.00 -ATOM 1386 C66 BOT 1 2 19.034 13.471 6.700 0.00 1.00 -ATOM 1387 C67 BOT 1 2 7.982 15.597 0.000 0.00 1.00 -ATOM 1388 C68 BOT 1 2 7.982 15.597 3.350 0.00 1.00 -ATOM 1389 C69 BOT 1 2 7.982 15.597 6.700 0.00 1.00 -ATOM 1390 C6A BOT 1 2 6.754 17.724 0.000 0.00 1.00 -ATOM 1391 C6B BOT 1 2 6.754 17.724 3.350 0.00 1.00 -ATOM 1392 C6C BOT 1 2 6.754 17.724 6.700 0.00 1.00 -ATOM 1393 C6D BOT 1 2 5.526 19.851 0.000 0.00 1.00 -ATOM 1394 C6E BOT 1 2 5.526 19.851 3.350 0.00 1.00 -ATOM 1395 C6F BOT 1 2 5.526 19.851 6.700 0.00 1.00 -ATOM 1396 C6G BOT 1 2 4.298 21.978 0.000 0.00 1.00 -ATOM 1397 C6H BOT 1 2 4.298 21.978 3.350 0.00 1.00 -ATOM 1398 C6I BOT 1 2 4.298 21.978 6.700 0.00 1.00 -ATOM 1399 C6J BOT 1 2 3.070 24.105 0.000 0.00 1.00 -ATOM 1400 C6K BOT 1 2 3.070 24.105 3.350 0.00 1.00 -ATOM 1401 C6L BOT 1 2 3.070 24.105 6.700 0.00 1.00 -ATOM 1402 C6M BOT 1 2 1.842 26.232 0.000 0.00 1.00 -ATOM 1403 C6N BOT 1 2 1.842 26.232 3.350 0.00 1.00 -ATOM 1404 C6O BOT 1 2 1.842 26.232 6.700 0.00 1.00 -ATOM 1405 C6P BOT 1 2 0.614 28.359 0.000 0.00 1.00 -ATOM 1406 C6Q BOT 1 2 0.614 28.359 3.350 0.00 1.00 -ATOM 1407 C6R BOT 1 2 0.614 28.359 6.700 0.00 1.00 -ATOM 1408 C6S BOT 1 2 28.858 0.709 0.000 0.00 1.00 -ATOM 1409 C6T BOT 1 2 28.858 0.709 3.350 0.00 1.00 -ATOM 1410 C6U BOT 1 2 28.858 0.709 6.700 0.00 1.00 -ATOM 1411 C6V BOT 1 2 27.630 2.836 0.000 0.00 1.00 -ATOM 1412 C6W BOT 1 2 27.630 2.836 3.350 0.00 1.00 -ATOM 1413 C6X BOT 1 2 27.630 2.836 6.700 0.00 1.00 -ATOM 1414 C6Y BOT 1 2 26.402 4.963 0.000 0.00 1.00 -ATOM 1415 C6Z BOT 1 2 26.402 4.963 3.350 0.00 1.00 -ATOM 1416 C6a BOT 1 2 26.402 4.963 6.700 0.00 1.00 -ATOM 1417 C6b BOT 1 2 25.174 7.090 0.000 0.00 1.00 -ATOM 1418 C6c BOT 1 2 25.174 7.090 3.350 0.00 1.00 -ATOM 1419 C6d BOT 1 2 25.174 7.090 6.700 0.00 1.00 -ATOM 1420 C6e BOT 1 2 23.946 9.217 0.000 0.00 1.00 -ATOM 1421 C6f BOT 1 2 23.946 9.217 3.350 0.00 1.00 -ATOM 1422 C6g BOT 1 2 23.946 9.217 6.700 0.00 1.00 -ATOM 1423 C6h BOT 1 2 22.718 11.344 0.000 0.00 1.00 -ATOM 1424 C6i BOT 1 2 22.718 11.344 3.350 0.00 1.00 -ATOM 1425 C6j BOT 1 2 22.718 11.344 6.700 0.00 1.00 -ATOM 1426 C6k BOT 1 2 21.490 13.471 0.000 0.00 1.00 -ATOM 1427 C6l BOT 1 2 21.490 13.471 3.350 0.00 1.00 -ATOM 1428 C6m BOT 1 2 21.490 13.471 6.700 0.00 1.00 -ATOM 1429 C6n BOT 1 2 10.438 15.597 0.000 0.00 1.00 -ATOM 1430 C6o BOT 1 2 10.438 15.597 3.350 0.00 1.00 -ATOM 1431 C6p BOT 1 2 10.438 15.597 6.700 0.00 1.00 -ATOM 1432 C6q BOT 1 2 9.210 17.724 0.000 0.00 1.00 -ATOM 1433 C6r BOT 1 2 9.210 17.724 3.350 0.00 1.00 -ATOM 1434 C6s BOT 1 2 9.210 17.724 6.700 0.00 1.00 -ATOM 1435 C6t BOT 1 2 7.982 19.851 0.000 0.00 1.00 -ATOM 1436 C6u BOT 1 2 7.982 19.851 3.350 0.00 1.00 -ATOM 1437 C6v BOT 1 2 7.982 19.851 6.700 0.00 1.00 -ATOM 1438 C6w BOT 1 2 6.754 21.978 0.000 0.00 1.00 -ATOM 1439 C6x BOT 1 2 6.754 21.978 3.350 0.00 1.00 -ATOM 1440 C6y BOT 1 2 6.754 21.978 6.700 0.00 1.00 -ATOM 1441 C6z BOT 1 2 5.526 24.105 0.000 0.00 1.00 -ATOM 1442 C70 BOT 1 2 5.526 24.105 3.350 0.00 1.00 -ATOM 1443 C71 BOT 1 2 5.526 24.105 6.700 0.00 1.00 -ATOM 1444 C72 BOT 1 2 4.298 26.232 0.000 0.00 1.00 -ATOM 1445 C73 BOT 1 2 4.298 26.232 3.350 0.00 1.00 -ATOM 1446 C74 BOT 1 2 4.298 26.232 6.700 0.00 1.00 -ATOM 1447 C75 BOT 1 2 3.070 28.359 0.000 0.00 1.00 -ATOM 1448 C76 BOT 1 2 3.070 28.359 3.350 0.00 1.00 -ATOM 1449 C77 BOT 1 2 3.070 28.359 6.700 0.00 1.00 -ATOM 1450 C78 BOT 1 2 1.842 0.709 0.000 0.00 1.00 -ATOM 1451 C79 BOT 1 2 1.842 0.709 3.350 0.00 1.00 -ATOM 1452 C7A BOT 1 2 1.842 0.709 6.700 0.00 1.00 -ATOM 1453 C7B BOT 1 2 0.614 2.836 0.000 0.00 1.00 -ATOM 1454 C7C BOT 1 2 0.614 2.836 3.350 0.00 1.00 -ATOM 1455 C7D BOT 1 2 0.614 2.836 6.700 0.00 1.00 -ATOM 1456 C7E BOT 1 2 28.858 4.963 0.000 0.00 1.00 -ATOM 1457 C7F BOT 1 2 28.858 4.963 3.350 0.00 1.00 -ATOM 1458 C7G BOT 1 2 28.858 4.963 6.700 0.00 1.00 -ATOM 1459 C7H BOT 1 2 27.630 7.090 0.000 0.00 1.00 -ATOM 1460 C7I BOT 1 2 27.630 7.090 3.350 0.00 1.00 -ATOM 1461 C7J BOT 1 2 27.630 7.090 6.700 0.00 1.00 -ATOM 1462 C7K BOT 1 2 26.402 9.217 0.000 0.00 1.00 -ATOM 1463 C7L BOT 1 2 26.402 9.217 3.350 0.00 1.00 -ATOM 1464 C7M BOT 1 2 26.402 9.217 6.700 0.00 1.00 -ATOM 1465 C7N BOT 1 2 25.174 11.344 0.000 0.00 1.00 -ATOM 1466 C7O BOT 1 2 25.174 11.344 3.350 0.00 1.00 -ATOM 1467 C7P BOT 1 2 25.174 11.344 6.700 0.00 1.00 -ATOM 1468 C7Q BOT 1 2 23.946 13.471 0.000 0.00 1.00 -ATOM 1469 C7R BOT 1 2 23.946 13.471 3.350 0.00 1.00 -ATOM 1470 C7S BOT 1 2 23.946 13.471 6.700 0.00 1.00 -ATOM 1471 C7T BOT 1 2 12.894 15.597 0.000 0.00 1.00 -ATOM 1472 C7U BOT 1 2 12.894 15.597 3.350 0.00 1.00 -ATOM 1473 C7V BOT 1 2 12.894 15.597 6.700 0.00 1.00 -ATOM 1474 C7W BOT 1 2 11.666 17.724 0.000 0.00 1.00 -ATOM 1475 C7X BOT 1 2 11.666 17.724 3.350 0.00 1.00 -ATOM 1476 C7Y BOT 1 2 11.666 17.724 6.700 0.00 1.00 -ATOM 1477 C7Z BOT 1 2 10.438 19.851 0.000 0.00 1.00 -ATOM 1478 C7a BOT 1 2 10.438 19.851 3.350 0.00 1.00 -ATOM 1479 C7b BOT 1 2 10.438 19.851 6.700 0.00 1.00 -ATOM 1480 C7c BOT 1 2 9.210 21.978 0.000 0.00 1.00 -ATOM 1481 C7d BOT 1 2 9.210 21.978 3.350 0.00 1.00 -ATOM 1482 C7e BOT 1 2 9.210 21.978 6.700 0.00 1.00 -ATOM 1483 C7f BOT 1 2 7.982 24.105 0.000 0.00 1.00 -ATOM 1484 C7g BOT 1 2 7.982 24.105 3.350 0.00 1.00 -ATOM 1485 C7h BOT 1 2 7.982 24.105 6.700 0.00 1.00 -ATOM 1486 C7i BOT 1 2 6.754 26.232 0.000 0.00 1.00 -ATOM 1487 C7j BOT 1 2 6.754 26.232 3.350 0.00 1.00 -ATOM 1488 C7k BOT 1 2 6.754 26.232 6.700 0.00 1.00 -ATOM 1489 C7l BOT 1 2 5.526 28.359 0.000 0.00 1.00 -ATOM 1490 C7m BOT 1 2 5.526 28.359 3.350 0.00 1.00 -ATOM 1491 C7n BOT 1 2 5.526 28.359 6.700 0.00 1.00 -ATOM 1492 C7o BOT 1 2 4.298 0.709 0.000 0.00 1.00 -ATOM 1493 C7p BOT 1 2 4.298 0.709 3.350 0.00 1.00 -ATOM 1494 C7q BOT 1 2 4.298 0.709 6.700 0.00 1.00 -ATOM 1495 C7r BOT 1 2 3.070 2.836 0.000 0.00 1.00 -ATOM 1496 C7s BOT 1 2 3.070 2.836 3.350 0.00 1.00 -ATOM 1497 C7t BOT 1 2 3.070 2.836 6.700 0.00 1.00 -ATOM 1498 C7u BOT 1 2 1.842 4.963 0.000 0.00 1.00 -ATOM 1499 C7v BOT 1 2 1.842 4.963 3.350 0.00 1.00 -ATOM 1500 C7w BOT 1 2 1.842 4.963 6.700 0.00 1.00 -ATOM 1501 C7x BOT 1 2 0.614 7.090 0.000 0.00 1.00 -ATOM 1502 C7y BOT 1 2 0.614 7.090 3.350 0.00 1.00 -ATOM 1503 C7z BOT 1 2 0.614 7.090 6.700 0.00 1.00 -ATOM 1504 C80 BOT 1 2 28.858 9.217 0.000 0.00 1.00 -ATOM 1505 C81 BOT 1 2 28.858 9.217 3.350 0.00 1.00 -ATOM 1506 C82 BOT 1 2 28.858 9.217 6.700 0.00 1.00 -ATOM 1507 C83 BOT 1 2 27.630 11.344 0.000 0.00 1.00 -ATOM 1508 C84 BOT 1 2 27.630 11.344 3.350 0.00 1.00 -ATOM 1509 C85 BOT 1 2 27.630 11.344 6.700 0.00 1.00 -ATOM 1510 C86 BOT 1 2 26.402 13.471 0.000 0.00 1.00 -ATOM 1511 C87 BOT 1 2 26.402 13.471 3.350 0.00 1.00 -ATOM 1512 C88 BOT 1 2 26.402 13.471 6.700 0.00 1.00 -ATOM 1513 C89 BOT 1 2 16.578 16.306 0.000 0.00 1.00 -ATOM 1514 C8A BOT 1 2 16.578 16.306 3.350 0.00 1.00 -ATOM 1515 C8B BOT 1 2 16.578 16.306 6.700 0.00 1.00 -ATOM 1516 C8C BOT 1 2 15.350 18.433 0.000 0.00 1.00 -ATOM 1517 C8D BOT 1 2 15.350 18.433 3.350 0.00 1.00 -ATOM 1518 C8E BOT 1 2 15.350 18.433 6.700 0.00 1.00 -ATOM 1519 C8F BOT 1 2 14.122 20.560 0.000 0.00 1.00 -ATOM 1520 C8G BOT 1 2 14.122 20.560 3.350 0.00 1.00 -ATOM 1521 C8H BOT 1 2 14.122 20.560 6.700 0.00 1.00 -ATOM 1522 C8I BOT 1 2 12.894 22.687 0.000 0.00 1.00 -ATOM 1523 C8J BOT 1 2 12.894 22.687 3.350 0.00 1.00 -ATOM 1524 C8K BOT 1 2 12.894 22.687 6.700 0.00 1.00 -ATOM 1525 C8L BOT 1 2 11.666 24.814 0.000 0.00 1.00 -ATOM 1526 C8M BOT 1 2 11.666 24.814 3.350 0.00 1.00 -ATOM 1527 C8N BOT 1 2 11.666 24.814 6.700 0.00 1.00 -ATOM 1528 C8O BOT 1 2 10.438 26.941 0.000 0.00 1.00 -ATOM 1529 C8P BOT 1 2 10.438 26.941 3.350 0.00 1.00 -ATOM 1530 C8Q BOT 1 2 10.438 26.941 6.700 0.00 1.00 -ATOM 1531 C8R BOT 1 2 9.210 29.068 0.000 0.00 1.00 -ATOM 1532 C8S BOT 1 2 9.210 29.068 3.350 0.00 1.00 -ATOM 1533 C8T BOT 1 2 9.210 29.068 6.700 0.00 1.00 -ATOM 1534 C8U BOT 1 2 7.982 1.418 0.000 0.00 1.00 -ATOM 1535 C8V BOT 1 2 7.982 1.418 3.350 0.00 1.00 -ATOM 1536 C8W BOT 1 2 7.982 1.418 6.700 0.00 1.00 -ATOM 1537 C8X BOT 1 2 6.754 3.545 0.000 0.00 1.00 -ATOM 1538 C8Y BOT 1 2 6.754 3.545 3.350 0.00 1.00 -ATOM 1539 C8Z BOT 1 2 6.754 3.545 6.700 0.00 1.00 -ATOM 1540 C8a BOT 1 2 5.526 5.672 0.000 0.00 1.00 -ATOM 1541 C8b BOT 1 2 5.526 5.672 3.350 0.00 1.00 -ATOM 1542 C8c BOT 1 2 5.526 5.672 6.700 0.00 1.00 -ATOM 1543 C8d BOT 1 2 4.298 7.799 0.000 0.00 1.00 -ATOM 1544 C8e BOT 1 2 4.298 7.799 3.350 0.00 1.00 -ATOM 1545 C8f BOT 1 2 4.298 7.799 6.700 0.00 1.00 -ATOM 1546 C8g BOT 1 2 3.070 9.926 0.000 0.00 1.00 -ATOM 1547 C8h BOT 1 2 3.070 9.926 3.350 0.00 1.00 -ATOM 1548 C8i BOT 1 2 3.070 9.926 6.700 0.00 1.00 -ATOM 1549 C8j BOT 1 2 1.842 12.053 0.000 0.00 1.00 -ATOM 1550 C8k BOT 1 2 1.842 12.053 3.350 0.00 1.00 -ATOM 1551 C8l BOT 1 2 1.842 12.053 6.700 0.00 1.00 -ATOM 1552 C8m BOT 1 2 0.614 14.180 0.000 0.00 1.00 -ATOM 1553 C8n BOT 1 2 0.614 14.180 3.350 0.00 1.00 -ATOM 1554 C8o BOT 1 2 0.614 14.180 6.700 0.00 1.00 -ATOM 1555 C8p BOT 1 2 19.034 16.306 0.000 0.00 1.00 -ATOM 1556 C8q BOT 1 2 19.034 16.306 3.350 0.00 1.00 -ATOM 1557 C8r BOT 1 2 19.034 16.306 6.700 0.00 1.00 -ATOM 1558 C8s BOT 1 2 17.806 18.433 0.000 0.00 1.00 -ATOM 1559 C8t BOT 1 2 17.806 18.433 3.350 0.00 1.00 -ATOM 1560 C8u BOT 1 2 17.806 18.433 6.700 0.00 1.00 -ATOM 1561 C8v BOT 1 2 16.578 20.560 0.000 0.00 1.00 -ATOM 1562 C8w BOT 1 2 16.578 20.560 3.350 0.00 1.00 -ATOM 1563 C8x BOT 1 2 16.578 20.560 6.700 0.00 1.00 -ATOM 1564 C8y BOT 1 2 15.350 22.687 0.000 0.00 1.00 -ATOM 1565 C8z BOT 1 2 15.350 22.687 3.350 0.00 1.00 -ATOM 1566 C90 BOT 1 2 15.350 22.687 6.700 0.00 1.00 -ATOM 1567 C91 BOT 1 2 14.122 24.814 0.000 0.00 1.00 -ATOM 1568 C92 BOT 1 2 14.122 24.814 3.350 0.00 1.00 -ATOM 1569 C93 BOT 1 2 14.122 24.814 6.700 0.00 1.00 -ATOM 1570 C94 BOT 1 2 12.894 26.941 0.000 0.00 1.00 -ATOM 1571 C95 BOT 1 2 12.894 26.941 3.350 0.00 1.00 -ATOM 1572 C96 BOT 1 2 12.894 26.941 6.700 0.00 1.00 -ATOM 1573 C97 BOT 1 2 11.666 29.068 0.000 0.00 1.00 -ATOM 1574 C98 BOT 1 2 11.666 29.068 3.350 0.00 1.00 -ATOM 1575 C99 BOT 1 2 11.666 29.068 6.700 0.00 1.00 -ATOM 1576 C9A BOT 1 2 10.438 1.418 0.000 0.00 1.00 -ATOM 1577 C9B BOT 1 2 10.438 1.418 3.350 0.00 1.00 -ATOM 1578 C9C BOT 1 2 10.438 1.418 6.700 0.00 1.00 -ATOM 1579 C9D BOT 1 2 9.210 3.545 0.000 0.00 1.00 -ATOM 1580 C9E BOT 1 2 9.210 3.545 3.350 0.00 1.00 -ATOM 1581 C9F BOT 1 2 9.210 3.545 6.700 0.00 1.00 -ATOM 1582 C9G BOT 1 2 7.982 5.672 0.000 0.00 1.00 -ATOM 1583 C9H BOT 1 2 7.982 5.672 3.350 0.00 1.00 -ATOM 1584 C9I BOT 1 2 7.982 5.672 6.700 0.00 1.00 -ATOM 1585 C9J BOT 1 2 6.754 7.799 0.000 0.00 1.00 -ATOM 1586 C9K BOT 1 2 6.754 7.799 3.350 0.00 1.00 -ATOM 1587 C9L BOT 1 2 6.754 7.799 6.700 0.00 1.00 -ATOM 1588 C9M BOT 1 2 5.526 9.926 0.000 0.00 1.00 -ATOM 1589 C9N BOT 1 2 5.526 9.926 3.350 0.00 1.00 -ATOM 1590 C9O BOT 1 2 5.526 9.926 6.700 0.00 1.00 -ATOM 1591 C9P BOT 1 2 4.298 12.053 0.000 0.00 1.00 -ATOM 1592 C9Q BOT 1 2 4.298 12.053 3.350 0.00 1.00 -ATOM 1593 C9R BOT 1 2 4.298 12.053 6.700 0.00 1.00 -ATOM 1594 C9S BOT 1 2 3.070 14.180 0.000 0.00 1.00 -ATOM 1595 C9T BOT 1 2 3.070 14.180 3.350 0.00 1.00 -ATOM 1596 C9U BOT 1 2 3.070 14.180 6.700 0.00 1.00 -ATOM 1597 C9V BOT 1 2 21.490 16.306 0.000 0.00 1.00 -ATOM 1598 C9W BOT 1 2 21.490 16.306 3.350 0.00 1.00 -ATOM 1599 C9X BOT 1 2 21.490 16.306 6.700 0.00 1.00 -ATOM 1600 C9Y BOT 1 2 20.262 18.433 0.000 0.00 1.00 -ATOM 1601 C9Z BOT 1 2 20.262 18.433 3.350 0.00 1.00 -ATOM 1602 C9a BOT 1 2 20.262 18.433 6.700 0.00 1.00 -ATOM 1603 C9b BOT 1 2 19.034 20.560 0.000 0.00 1.00 -ATOM 1604 C9c BOT 1 2 19.034 20.560 3.350 0.00 1.00 -ATOM 1605 C9d BOT 1 2 19.034 20.560 6.700 0.00 1.00 -ATOM 1606 C9e BOT 1 2 17.806 22.687 0.000 0.00 1.00 -ATOM 1607 C9f BOT 1 2 17.806 22.687 3.350 0.00 1.00 -ATOM 1608 C9g BOT 1 2 17.806 22.687 6.700 0.00 1.00 -ATOM 1609 C9h BOT 1 2 16.578 24.814 0.000 0.00 1.00 -ATOM 1610 C9i BOT 1 2 16.578 24.814 3.350 0.00 1.00 -ATOM 1611 C9j BOT 1 2 16.578 24.814 6.700 0.00 1.00 -ATOM 1612 C9k BOT 1 2 15.350 26.941 0.000 0.00 1.00 -ATOM 1613 C9l BOT 1 2 15.350 26.941 3.350 0.00 1.00 -ATOM 1614 C9m BOT 1 2 15.350 26.941 6.700 0.00 1.00 -ATOM 1615 C9n BOT 1 2 14.122 29.068 0.000 0.00 1.00 -ATOM 1616 C9o BOT 1 2 14.122 29.068 3.350 0.00 1.00 -ATOM 1617 C9p BOT 1 2 14.122 29.068 6.700 0.00 1.00 -ATOM 1618 C9q BOT 1 2 12.894 1.418 0.000 0.00 1.00 -ATOM 1619 C9r BOT 1 2 12.894 1.418 3.350 0.00 1.00 -ATOM 1620 C9s BOT 1 2 12.894 1.418 6.700 0.00 1.00 -ATOM 1621 C9t BOT 1 2 11.666 3.545 0.000 0.00 1.00 -ATOM 1622 C9u BOT 1 2 11.666 3.545 3.350 0.00 1.00 -ATOM 1623 C9v BOT 1 2 11.666 3.545 6.700 0.00 1.00 -ATOM 1624 C9w BOT 1 2 10.438 5.672 0.000 0.00 1.00 -ATOM 1625 C9x BOT 1 2 10.438 5.672 3.350 0.00 1.00 -ATOM 1626 C9y BOT 1 2 10.438 5.672 6.700 0.00 1.00 -ATOM 1627 C9z BOT 1 2 9.210 7.799 0.000 0.00 1.00 -ATOM 1628 CA0 BOT 1 2 9.210 7.799 3.350 0.00 1.00 -ATOM 1629 CA1 BOT 1 2 9.210 7.799 6.700 0.00 1.00 -ATOM 1630 CA2 BOT 1 2 7.982 9.926 0.000 0.00 1.00 -ATOM 1631 CA3 BOT 1 2 7.982 9.926 3.350 0.00 1.00 -ATOM 1632 CA4 BOT 1 2 7.982 9.926 6.700 0.00 1.00 -ATOM 1633 CA5 BOT 1 2 6.754 12.053 0.000 0.00 1.00 -ATOM 1634 CA6 BOT 1 2 6.754 12.053 3.350 0.00 1.00 -ATOM 1635 CA7 BOT 1 2 6.754 12.053 6.700 0.00 1.00 -ATOM 1636 CA8 BOT 1 2 5.526 14.180 0.000 0.00 1.00 -ATOM 1637 CA9 BOT 1 2 5.526 14.180 3.350 0.00 1.00 -ATOM 1638 CAA BOT 1 2 5.526 14.180 6.700 0.00 1.00 -ATOM 1639 CAB BOT 1 2 23.946 16.306 0.000 0.00 1.00 -ATOM 1640 CAC BOT 1 2 23.946 16.306 3.350 0.00 1.00 -ATOM 1641 CAD BOT 1 2 23.946 16.306 6.700 0.00 1.00 -ATOM 1642 CAE BOT 1 2 22.718 18.433 0.000 0.00 1.00 -ATOM 1643 CAF BOT 1 2 22.718 18.433 3.350 0.00 1.00 -ATOM 1644 CAG BOT 1 2 22.718 18.433 6.700 0.00 1.00 -ATOM 1645 CAH BOT 1 2 21.490 20.560 0.000 0.00 1.00 -ATOM 1646 CAI BOT 1 2 21.490 20.560 3.350 0.00 1.00 -ATOM 1647 CAJ BOT 1 2 21.490 20.560 6.700 0.00 1.00 -ATOM 1648 CAK BOT 1 2 20.262 22.687 0.000 0.00 1.00 -ATOM 1649 CAL BOT 1 2 20.262 22.687 3.350 0.00 1.00 -ATOM 1650 CAM BOT 1 2 20.262 22.687 6.700 0.00 1.00 -ATOM 1651 CAN BOT 1 2 19.034 24.814 0.000 0.00 1.00 -ATOM 1652 CAO BOT 1 2 19.034 24.814 3.350 0.00 1.00 -ATOM 1653 CAP BOT 1 2 19.034 24.814 6.700 0.00 1.00 -ATOM 1654 CAQ BOT 1 2 17.806 26.941 0.000 0.00 1.00 -ATOM 1655 CAR BOT 1 2 17.806 26.941 3.350 0.00 1.00 -ATOM 1656 CAS BOT 1 2 17.806 26.941 6.700 0.00 1.00 -ATOM 1657 CAT BOT 1 2 16.578 29.068 0.000 0.00 1.00 -ATOM 1658 CAU BOT 1 2 16.578 29.068 3.350 0.00 1.00 -ATOM 1659 CAV BOT 1 2 16.578 29.068 6.700 0.00 1.00 -ATOM 1660 CAW BOT 1 2 15.350 1.418 0.000 0.00 1.00 -ATOM 1661 CAX BOT 1 2 15.350 1.418 3.350 0.00 1.00 -ATOM 1662 CAY BOT 1 2 15.350 1.418 6.700 0.00 1.00 -ATOM 1663 CAZ BOT 1 2 14.122 3.545 0.000 0.00 1.00 -ATOM 1664 CAa BOT 1 2 14.122 3.545 3.350 0.00 1.00 -ATOM 1665 CAb BOT 1 2 14.122 3.545 6.700 0.00 1.00 -ATOM 1666 CAc BOT 1 2 12.894 5.672 0.000 0.00 1.00 -ATOM 1667 CAd BOT 1 2 12.894 5.672 3.350 0.00 1.00 -ATOM 1668 CAe BOT 1 2 12.894 5.672 6.700 0.00 1.00 -ATOM 1669 CAf BOT 1 2 11.666 7.799 0.000 0.00 1.00 -ATOM 1670 CAg BOT 1 2 11.666 7.799 3.350 0.00 1.00 -ATOM 1671 CAh BOT 1 2 11.666 7.799 6.700 0.00 1.00 -ATOM 1672 CAi BOT 1 2 10.438 9.926 0.000 0.00 1.00 -ATOM 1673 CAj BOT 1 2 10.438 9.926 3.350 0.00 1.00 -ATOM 1674 CAk BOT 1 2 10.438 9.926 6.700 0.00 1.00 -ATOM 1675 CAl BOT 1 2 9.210 12.053 0.000 0.00 1.00 -ATOM 1676 CAm BOT 1 2 9.210 12.053 3.350 0.00 1.00 -ATOM 1677 CAn BOT 1 2 9.210 12.053 6.700 0.00 1.00 -ATOM 1678 CAo BOT 1 2 7.982 14.180 0.000 0.00 1.00 -ATOM 1679 CAp BOT 1 2 7.982 14.180 3.350 0.00 1.00 -ATOM 1680 CAq BOT 1 2 7.982 14.180 6.700 0.00 1.00 -ATOM 1681 CAr BOT 1 2 26.402 16.306 0.000 0.00 1.00 -ATOM 1682 CAs BOT 1 2 26.402 16.306 3.350 0.00 1.00 -ATOM 1683 CAt BOT 1 2 26.402 16.306 6.700 0.00 1.00 -ATOM 1684 CAu BOT 1 2 25.174 18.433 0.000 0.00 1.00 -ATOM 1685 CAv BOT 1 2 25.174 18.433 3.350 0.00 1.00 -ATOM 1686 CAw BOT 1 2 25.174 18.433 6.700 0.00 1.00 -ATOM 1687 CAx BOT 1 2 23.946 20.560 0.000 0.00 1.00 -ATOM 1688 CAy BOT 1 2 23.946 20.560 3.350 0.00 1.00 -ATOM 1689 CAz BOT 1 2 23.946 20.560 6.700 0.00 1.00 -ATOM 1690 CB0 BOT 1 2 22.718 22.687 0.000 0.00 1.00 -ATOM 1691 CB1 BOT 1 2 22.718 22.687 3.350 0.00 1.00 -ATOM 1692 CB2 BOT 1 2 22.718 22.687 6.700 0.00 1.00 -ATOM 1693 CB3 BOT 1 2 21.490 24.814 0.000 0.00 1.00 -ATOM 1694 CB4 BOT 1 2 21.490 24.814 3.350 0.00 1.00 -ATOM 1695 CB5 BOT 1 2 21.490 24.814 6.700 0.00 1.00 -ATOM 1696 CB6 BOT 1 2 20.262 26.941 0.000 0.00 1.00 -ATOM 1697 CB7 BOT 1 2 20.262 26.941 3.350 0.00 1.00 -ATOM 1698 CB8 BOT 1 2 20.262 26.941 6.700 0.00 1.00 -ATOM 1699 CB9 BOT 1 2 19.034 29.068 0.000 0.00 1.00 -ATOM 1700 CBA BOT 1 2 19.034 29.068 3.350 0.00 1.00 -ATOM 1701 CBB BOT 1 2 19.034 29.068 6.700 0.00 1.00 -ATOM 1702 CBC BOT 1 2 17.806 1.418 0.000 0.00 1.00 -ATOM 1703 CBD BOT 1 2 17.806 1.418 3.350 0.00 1.00 -ATOM 1704 CBE BOT 1 2 17.806 1.418 6.700 0.00 1.00 -ATOM 1705 CBF BOT 1 2 16.578 3.545 0.000 0.00 1.00 -ATOM 1706 CBG BOT 1 2 16.578 3.545 3.350 0.00 1.00 -ATOM 1707 CBH BOT 1 2 16.578 3.545 6.700 0.00 1.00 -ATOM 1708 CBI BOT 1 2 15.350 5.672 0.000 0.00 1.00 -ATOM 1709 CBJ BOT 1 2 15.350 5.672 3.350 0.00 1.00 -ATOM 1710 CBK BOT 1 2 15.350 5.672 6.700 0.00 1.00 -ATOM 1711 CBL BOT 1 2 14.122 7.799 0.000 0.00 1.00 -ATOM 1712 CBM BOT 1 2 14.122 7.799 3.350 0.00 1.00 -ATOM 1713 CBN BOT 1 2 14.122 7.799 6.700 0.00 1.00 -ATOM 1714 CBO BOT 1 2 12.894 9.926 0.000 0.00 1.00 -ATOM 1715 CBP BOT 1 2 12.894 9.926 3.350 0.00 1.00 -ATOM 1716 CBQ BOT 1 2 12.894 9.926 6.700 0.00 1.00 -ATOM 1717 CBR BOT 1 2 11.666 12.053 0.000 0.00 1.00 -ATOM 1718 CBS BOT 1 2 11.666 12.053 3.350 0.00 1.00 -ATOM 1719 CBT BOT 1 2 11.666 12.053 6.700 0.00 1.00 -ATOM 1720 CBU BOT 1 2 10.438 14.180 0.000 0.00 1.00 -ATOM 1721 CBV BOT 1 2 10.438 14.180 3.350 0.00 1.00 -ATOM 1722 CBW BOT 1 2 10.438 14.180 6.700 0.00 1.00 -ATOM 1723 CBX BOT 1 2 28.858 16.306 0.000 0.00 1.00 -ATOM 1724 CBY BOT 1 2 28.858 16.306 3.350 0.00 1.00 -ATOM 1725 CBZ BOT 1 2 28.858 16.306 6.700 0.00 1.00 -ATOM 1726 CBa BOT 1 2 27.630 18.433 0.000 0.00 1.00 -ATOM 1727 CBb BOT 1 2 27.630 18.433 3.350 0.00 1.00 -ATOM 1728 CBc BOT 1 2 27.630 18.433 6.700 0.00 1.00 -ATOM 1729 CBd BOT 1 2 26.402 20.560 0.000 0.00 1.00 -ATOM 1730 CBe BOT 1 2 26.402 20.560 3.350 0.00 1.00 -ATOM 1731 CBf BOT 1 2 26.402 20.560 6.700 0.00 1.00 -ATOM 1732 CBg BOT 1 2 25.174 22.687 0.000 0.00 1.00 -ATOM 1733 CBh BOT 1 2 25.174 22.687 3.350 0.00 1.00 -ATOM 1734 CBi BOT 1 2 25.174 22.687 6.700 0.00 1.00 -ATOM 1735 CBj BOT 1 2 23.946 24.814 0.000 0.00 1.00 -ATOM 1736 CBk BOT 1 2 23.946 24.814 3.350 0.00 1.00 -ATOM 1737 CBl BOT 1 2 23.946 24.814 6.700 0.00 1.00 -ATOM 1738 CBm BOT 1 2 22.718 26.941 0.000 0.00 1.00 -ATOM 1739 CBn BOT 1 2 22.718 26.941 3.350 0.00 1.00 -ATOM 1740 CBo BOT 1 2 22.718 26.941 6.700 0.00 1.00 -ATOM 1741 CBp BOT 1 2 21.490 29.068 0.000 0.00 1.00 -ATOM 1742 CBq BOT 1 2 21.490 29.068 3.350 0.00 1.00 -ATOM 1743 CBr BOT 1 2 21.490 29.068 6.700 0.00 1.00 -ATOM 1744 CBs BOT 1 2 20.262 1.418 0.000 0.00 1.00 -ATOM 1745 CBt BOT 1 2 20.262 1.418 3.350 0.00 1.00 -ATOM 1746 CBu BOT 1 2 20.262 1.418 6.700 0.00 1.00 -ATOM 1747 CBv BOT 1 2 19.034 3.545 0.000 0.00 1.00 -ATOM 1748 CBw BOT 1 2 19.034 3.545 3.350 0.00 1.00 -ATOM 1749 CBx BOT 1 2 19.034 3.545 6.700 0.00 1.00 -ATOM 1750 CBy BOT 1 2 17.806 5.672 0.000 0.00 1.00 -ATOM 1751 CBz BOT 1 2 17.806 5.672 3.350 0.00 1.00 -ATOM 1752 CC0 BOT 1 2 17.806 5.672 6.700 0.00 1.00 -ATOM 1753 CC1 BOT 1 2 16.578 7.799 0.000 0.00 1.00 -ATOM 1754 CC2 BOT 1 2 16.578 7.799 3.350 0.00 1.00 -ATOM 1755 CC3 BOT 1 2 16.578 7.799 6.700 0.00 1.00 -ATOM 1756 CC4 BOT 1 2 15.350 9.926 0.000 0.00 1.00 -ATOM 1757 CC5 BOT 1 2 15.350 9.926 3.350 0.00 1.00 -ATOM 1758 CC6 BOT 1 2 15.350 9.926 6.700 0.00 1.00 -ATOM 1759 CC7 BOT 1 2 14.122 12.053 0.000 0.00 1.00 -ATOM 1760 CC8 BOT 1 2 14.122 12.053 3.350 0.00 1.00 -ATOM 1761 CC9 BOT 1 2 14.122 12.053 6.700 0.00 1.00 -ATOM 1762 CCA BOT 1 2 12.894 14.180 0.000 0.00 1.00 -ATOM 1763 CCB BOT 1 2 12.894 14.180 3.350 0.00 1.00 -ATOM 1764 CCC BOT 1 2 12.894 14.180 6.700 0.00 1.00 -ATOM 1765 CCD BOT 1 2 1.842 16.306 0.000 0.00 1.00 -ATOM 1766 CCE BOT 1 2 1.842 16.306 3.350 0.00 1.00 -ATOM 1767 CCF BOT 1 2 1.842 16.306 6.700 0.00 1.00 -ATOM 1768 CCG BOT 1 2 0.614 18.433 0.000 0.00 1.00 -ATOM 1769 CCH BOT 1 2 0.614 18.433 3.350 0.00 1.00 -ATOM 1770 CCI BOT 1 2 0.614 18.433 6.700 0.00 1.00 -ATOM 1771 CCJ BOT 1 2 28.858 20.560 0.000 0.00 1.00 -ATOM 1772 CCK BOT 1 2 28.858 20.560 3.350 0.00 1.00 -ATOM 1773 CCL BOT 1 2 28.858 20.560 6.700 0.00 1.00 -ATOM 1774 CCM BOT 1 2 27.630 22.687 0.000 0.00 1.00 -ATOM 1775 CCN BOT 1 2 27.630 22.687 3.350 0.00 1.00 -ATOM 1776 CCO BOT 1 2 27.630 22.687 6.700 0.00 1.00 -ATOM 1777 CCP BOT 1 2 26.402 24.814 0.000 0.00 1.00 -ATOM 1778 CCQ BOT 1 2 26.402 24.814 3.350 0.00 1.00 -ATOM 1779 CCR BOT 1 2 26.402 24.814 6.700 0.00 1.00 -ATOM 1780 CCS BOT 1 2 25.174 26.941 0.000 0.00 1.00 -ATOM 1781 CCT BOT 1 2 25.174 26.941 3.350 0.00 1.00 -ATOM 1782 CCU BOT 1 2 25.174 26.941 6.700 0.00 1.00 -ATOM 1783 CCV BOT 1 2 23.946 29.068 0.000 0.00 1.00 -ATOM 1784 CCW BOT 1 2 23.946 29.068 3.350 0.00 1.00 -ATOM 1785 CCX BOT 1 2 23.946 29.068 6.700 0.00 1.00 -ATOM 1786 CCY BOT 1 2 22.718 1.418 0.000 0.00 1.00 -ATOM 1787 CCZ BOT 1 2 22.718 1.418 3.350 0.00 1.00 -ATOM 1788 CCa BOT 1 2 22.718 1.418 6.700 0.00 1.00 -ATOM 1789 CCb BOT 1 2 21.490 3.545 0.000 0.00 1.00 -ATOM 1790 CCc BOT 1 2 21.490 3.545 3.350 0.00 1.00 -ATOM 1791 CCd BOT 1 2 21.490 3.545 6.700 0.00 1.00 -ATOM 1792 CCe BOT 1 2 20.262 5.672 0.000 0.00 1.00 -ATOM 1793 CCf BOT 1 2 20.262 5.672 3.350 0.00 1.00 -ATOM 1794 CCg BOT 1 2 20.262 5.672 6.700 0.00 1.00 -ATOM 1795 CCh BOT 1 2 19.034 7.799 0.000 0.00 1.00 -ATOM 1796 CCi BOT 1 2 19.034 7.799 3.350 0.00 1.00 -ATOM 1797 CCj BOT 1 2 19.034 7.799 6.700 0.00 1.00 -ATOM 1798 CCk BOT 1 2 17.806 9.926 0.000 0.00 1.00 -ATOM 1799 CCl BOT 1 2 17.806 9.926 3.350 0.00 1.00 -ATOM 1800 CCm BOT 1 2 17.806 9.926 6.700 0.00 1.00 -ATOM 1801 CCn BOT 1 2 16.578 12.053 0.000 0.00 1.00 -ATOM 1802 CCo BOT 1 2 16.578 12.053 3.350 0.00 1.00 -ATOM 1803 CCp BOT 1 2 16.578 12.053 6.700 0.00 1.00 -ATOM 1804 CCq BOT 1 2 15.350 14.180 0.000 0.00 1.00 -ATOM 1805 CCr BOT 1 2 15.350 14.180 3.350 0.00 1.00 -ATOM 1806 CCs BOT 1 2 15.350 14.180 6.700 0.00 1.00 -ATOM 1807 CCt BOT 1 2 4.298 16.306 0.000 0.00 1.00 -ATOM 1808 CCu BOT 1 2 4.298 16.306 3.350 0.00 1.00 -ATOM 1809 CCv BOT 1 2 4.298 16.306 6.700 0.00 1.00 -ATOM 1810 CCw BOT 1 2 3.070 18.433 0.000 0.00 1.00 -ATOM 1811 CCx BOT 1 2 3.070 18.433 3.350 0.00 1.00 -ATOM 1812 CCy BOT 1 2 3.070 18.433 6.700 0.00 1.00 -ATOM 1813 CCz BOT 1 2 1.842 20.560 0.000 0.00 1.00 -ATOM 1814 CD0 BOT 1 2 1.842 20.560 3.350 0.00 1.00 -ATOM 1815 CD1 BOT 1 2 1.842 20.560 6.700 0.00 1.00 -ATOM 1816 CD2 BOT 1 2 0.614 22.687 0.000 0.00 1.00 -ATOM 1817 CD3 BOT 1 2 0.614 22.687 3.350 0.00 1.00 -ATOM 1818 CD4 BOT 1 2 0.614 22.687 6.700 0.00 1.00 -ATOM 1819 CD5 BOT 1 2 28.858 24.814 0.000 0.00 1.00 -ATOM 1820 CD6 BOT 1 2 28.858 24.814 3.350 0.00 1.00 -ATOM 1821 CD7 BOT 1 2 28.858 24.814 6.700 0.00 1.00 -ATOM 1822 CD8 BOT 1 2 27.630 26.941 0.000 0.00 1.00 -ATOM 1823 CD9 BOT 1 2 27.630 26.941 3.350 0.00 1.00 -ATOM 1824 CDA BOT 1 2 27.630 26.941 6.700 0.00 1.00 -ATOM 1825 CDB BOT 1 2 26.402 29.068 0.000 0.00 1.00 -ATOM 1826 CDC BOT 1 2 26.402 29.068 3.350 0.00 1.00 -ATOM 1827 CDD BOT 1 2 26.402 29.068 6.700 0.00 1.00 -ATOM 1828 CDE BOT 1 2 25.174 1.418 0.000 0.00 1.00 -ATOM 1829 CDF BOT 1 2 25.174 1.418 3.350 0.00 1.00 -ATOM 1830 CDG BOT 1 2 25.174 1.418 6.700 0.00 1.00 -ATOM 1831 CDH BOT 1 2 23.946 3.545 0.000 0.00 1.00 -ATOM 1832 CDI BOT 1 2 23.946 3.545 3.350 0.00 1.00 -ATOM 1833 CDJ BOT 1 2 23.946 3.545 6.700 0.00 1.00 -ATOM 1834 CDK BOT 1 2 22.718 5.672 0.000 0.00 1.00 -ATOM 1835 CDL BOT 1 2 22.718 5.672 3.350 0.00 1.00 -ATOM 1836 CDM BOT 1 2 22.718 5.672 6.700 0.00 1.00 -ATOM 1837 CDN BOT 1 2 21.490 7.799 0.000 0.00 1.00 -ATOM 1838 CDO BOT 1 2 21.490 7.799 3.350 0.00 1.00 -ATOM 1839 CDP BOT 1 2 21.490 7.799 6.700 0.00 1.00 -ATOM 1840 CDQ BOT 1 2 20.262 9.926 0.000 0.00 1.00 -ATOM 1841 CDR BOT 1 2 20.262 9.926 3.350 0.00 1.00 -ATOM 1842 CDS BOT 1 2 20.262 9.926 6.700 0.00 1.00 -ATOM 1843 CDT BOT 1 2 19.034 12.053 0.000 0.00 1.00 -ATOM 1844 CDU BOT 1 2 19.034 12.053 3.350 0.00 1.00 -ATOM 1845 CDV BOT 1 2 19.034 12.053 6.700 0.00 1.00 -ATOM 1846 CDW BOT 1 2 17.806 14.180 0.000 0.00 1.00 -ATOM 1847 CDX BOT 1 2 17.806 14.180 3.350 0.00 1.00 -ATOM 1848 CDY BOT 1 2 17.806 14.180 6.700 0.00 1.00 -ATOM 1849 CDZ BOT 1 2 6.754 16.306 0.000 0.00 1.00 -ATOM 1850 CDa BOT 1 2 6.754 16.306 3.350 0.00 1.00 -ATOM 1851 CDb BOT 1 2 6.754 16.306 6.700 0.00 1.00 -ATOM 1852 CDc BOT 1 2 5.526 18.433 0.000 0.00 1.00 -ATOM 1853 CDd BOT 1 2 5.526 18.433 3.350 0.00 1.00 -ATOM 1854 CDe BOT 1 2 5.526 18.433 6.700 0.00 1.00 -ATOM 1855 CDf BOT 1 2 4.298 20.560 0.000 0.00 1.00 -ATOM 1856 CDg BOT 1 2 4.298 20.560 3.350 0.00 1.00 -ATOM 1857 CDh BOT 1 2 4.298 20.560 6.700 0.00 1.00 -ATOM 1858 CDi BOT 1 2 3.070 22.687 0.000 0.00 1.00 -ATOM 1859 CDj BOT 1 2 3.070 22.687 3.350 0.00 1.00 -ATOM 1860 CDk BOT 1 2 3.070 22.687 6.700 0.00 1.00 -ATOM 1861 CDl BOT 1 2 1.842 24.814 0.000 0.00 1.00 -ATOM 1862 CDm BOT 1 2 1.842 24.814 3.350 0.00 1.00 -ATOM 1863 CDn BOT 1 2 1.842 24.814 6.700 0.00 1.00 -ATOM 1864 CDo BOT 1 2 0.614 26.941 0.000 0.00 1.00 -ATOM 1865 CDp BOT 1 2 0.614 26.941 3.350 0.00 1.00 -ATOM 1866 CDq BOT 1 2 0.614 26.941 6.700 0.00 1.00 -ATOM 1867 CDr BOT 1 2 28.858 29.068 0.000 0.00 1.00 -ATOM 1868 CDs BOT 1 2 28.858 29.068 3.350 0.00 1.00 -ATOM 1869 CDt BOT 1 2 28.858 29.068 6.700 0.00 1.00 -ATOM 1870 CDu BOT 1 2 27.630 1.418 0.000 0.00 1.00 -ATOM 1871 CDv BOT 1 2 27.630 1.418 3.350 0.00 1.00 -ATOM 1872 CDw BOT 1 2 27.630 1.418 6.700 0.00 1.00 -ATOM 1873 CDx BOT 1 2 26.402 3.545 0.000 0.00 1.00 -ATOM 1874 CDy BOT 1 2 26.402 3.545 3.350 0.00 1.00 -ATOM 1875 CDz BOT 1 2 26.402 3.545 6.700 0.00 1.00 -ATOM 1876 CE0 BOT 1 2 25.174 5.672 0.000 0.00 1.00 -ATOM 1877 CE1 BOT 1 2 25.174 5.672 3.350 0.00 1.00 -ATOM 1878 CE2 BOT 1 2 25.174 5.672 6.700 0.00 1.00 -ATOM 1879 CE3 BOT 1 2 23.946 7.799 0.000 0.00 1.00 -ATOM 1880 CE4 BOT 1 2 23.946 7.799 3.350 0.00 1.00 -ATOM 1881 CE5 BOT 1 2 23.946 7.799 6.700 0.00 1.00 -ATOM 1882 CE6 BOT 1 2 22.718 9.926 0.000 0.00 1.00 -ATOM 1883 CE7 BOT 1 2 22.718 9.926 3.350 0.00 1.00 -ATOM 1884 CE8 BOT 1 2 22.718 9.926 6.700 0.00 1.00 -ATOM 1885 CE9 BOT 1 2 21.490 12.053 0.000 0.00 1.00 -ATOM 1886 CEA BOT 1 2 21.490 12.053 3.350 0.00 1.00 -ATOM 1887 CEB BOT 1 2 21.490 12.053 6.700 0.00 1.00 -ATOM 1888 CEC BOT 1 2 20.262 14.180 0.000 0.00 1.00 -ATOM 1889 CED BOT 1 2 20.262 14.180 3.350 0.00 1.00 -ATOM 1890 CEE BOT 1 2 20.262 14.180 6.700 0.00 1.00 -ATOM 1891 CEF BOT 1 2 9.210 16.306 0.000 0.00 1.00 -ATOM 1892 CEG BOT 1 2 9.210 16.306 3.350 0.00 1.00 -ATOM 1893 CEH BOT 1 2 9.210 16.306 6.700 0.00 1.00 -ATOM 1894 CEI BOT 1 2 7.982 18.433 0.000 0.00 1.00 -ATOM 1895 CEJ BOT 1 2 7.982 18.433 3.350 0.00 1.00 -ATOM 1896 CEK BOT 1 2 7.982 18.433 6.700 0.00 1.00 -ATOM 1897 CEL BOT 1 2 6.754 20.560 0.000 0.00 1.00 -ATOM 1898 CEM BOT 1 2 6.754 20.560 3.350 0.00 1.00 -ATOM 1899 CEN BOT 1 2 6.754 20.560 6.700 0.00 1.00 -ATOM 1900 CEO BOT 1 2 5.526 22.687 0.000 0.00 1.00 -ATOM 1901 CEP BOT 1 2 5.526 22.687 3.350 0.00 1.00 -ATOM 1902 CEQ BOT 1 2 5.526 22.687 6.700 0.00 1.00 -ATOM 1903 CER BOT 1 2 4.298 24.814 0.000 0.00 1.00 -ATOM 1904 CES BOT 1 2 4.298 24.814 3.350 0.00 1.00 -ATOM 1905 CET BOT 1 2 4.298 24.814 6.700 0.00 1.00 -ATOM 1906 CEU BOT 1 2 3.070 26.941 0.000 0.00 1.00 -ATOM 1907 CEV BOT 1 2 3.070 26.941 3.350 0.00 1.00 -ATOM 1908 CEW BOT 1 2 3.070 26.941 6.700 0.00 1.00 -ATOM 1909 CEX BOT 1 2 1.842 29.068 0.000 0.00 1.00 -ATOM 1910 CEY BOT 1 2 1.842 29.068 3.350 0.00 1.00 -ATOM 1911 CEZ BOT 1 2 1.842 29.068 6.700 0.00 1.00 -ATOM 1912 CEa BOT 1 2 0.614 1.418 0.000 0.00 1.00 -ATOM 1913 CEb BOT 1 2 0.614 1.418 3.350 0.00 1.00 -ATOM 1914 CEc BOT 1 2 0.614 1.418 6.700 0.00 1.00 -ATOM 1915 CEd BOT 1 2 28.858 3.545 0.000 0.00 1.00 -ATOM 1916 CEe BOT 1 2 28.858 3.545 3.350 0.00 1.00 -ATOM 1917 CEf BOT 1 2 28.858 3.545 6.700 0.00 1.00 -ATOM 1918 CEg BOT 1 2 27.630 5.672 0.000 0.00 1.00 -ATOM 1919 CEh BOT 1 2 27.630 5.672 3.350 0.00 1.00 -ATOM 1920 CEi BOT 1 2 27.630 5.672 6.700 0.00 1.00 -ATOM 1921 CEj BOT 1 2 26.402 7.799 0.000 0.00 1.00 -ATOM 1922 CEk BOT 1 2 26.402 7.799 3.350 0.00 1.00 -ATOM 1923 CEl BOT 1 2 26.402 7.799 6.700 0.00 1.00 -ATOM 1924 CEm BOT 1 2 25.174 9.926 0.000 0.00 1.00 -ATOM 1925 CEn BOT 1 2 25.174 9.926 3.350 0.00 1.00 -ATOM 1926 CEo BOT 1 2 25.174 9.926 6.700 0.00 1.00 -ATOM 1927 CEp BOT 1 2 23.946 12.053 0.000 0.00 1.00 -ATOM 1928 CEq BOT 1 2 23.946 12.053 3.350 0.00 1.00 -ATOM 1929 CEr BOT 1 2 23.946 12.053 6.700 0.00 1.00 -ATOM 1930 CEs BOT 1 2 22.718 14.180 0.000 0.00 1.00 -ATOM 1931 CEt BOT 1 2 22.718 14.180 3.350 0.00 1.00 -ATOM 1932 CEu BOT 1 2 22.718 14.180 6.700 0.00 1.00 -ATOM 1933 CEv BOT 1 2 11.666 16.306 0.000 0.00 1.00 -ATOM 1934 CEw BOT 1 2 11.666 16.306 3.350 0.00 1.00 -ATOM 1935 CEx BOT 1 2 11.666 16.306 6.700 0.00 1.00 -ATOM 1936 CEy BOT 1 2 10.438 18.433 0.000 0.00 1.00 -ATOM 1937 CEz BOT 1 2 10.438 18.433 3.350 0.00 1.00 -ATOM 1938 CF0 BOT 1 2 10.438 18.433 6.700 0.00 1.00 -ATOM 1939 CF1 BOT 1 2 9.210 20.560 0.000 0.00 1.00 -ATOM 1940 CF2 BOT 1 2 9.210 20.560 3.350 0.00 1.00 -ATOM 1941 CF3 BOT 1 2 9.210 20.560 6.700 0.00 1.00 -ATOM 1942 CF4 BOT 1 2 7.982 22.687 0.000 0.00 1.00 -ATOM 1943 CF5 BOT 1 2 7.982 22.687 3.350 0.00 1.00 -ATOM 1944 CF6 BOT 1 2 7.982 22.687 6.700 0.00 1.00 -ATOM 1945 CF7 BOT 1 2 6.754 24.814 0.000 0.00 1.00 -ATOM 1946 CF8 BOT 1 2 6.754 24.814 3.350 0.00 1.00 -ATOM 1947 CF9 BOT 1 2 6.754 24.814 6.700 0.00 1.00 -ATOM 1948 CFA BOT 1 2 5.526 26.941 0.000 0.00 1.00 -ATOM 1949 CFB BOT 1 2 5.526 26.941 3.350 0.00 1.00 -ATOM 1950 CFC BOT 1 2 5.526 26.941 6.700 0.00 1.00 -ATOM 1951 CFD BOT 1 2 4.298 29.068 0.000 0.00 1.00 -ATOM 1952 CFE BOT 1 2 4.298 29.068 3.350 0.00 1.00 -ATOM 1953 CFF BOT 1 2 4.298 29.068 6.700 0.00 1.00 -ATOM 1954 CFG BOT 1 2 3.070 1.418 0.000 0.00 1.00 -ATOM 1955 CFH BOT 1 2 3.070 1.418 3.350 0.00 1.00 -ATOM 1956 CFI BOT 1 2 3.070 1.418 6.700 0.00 1.00 -ATOM 1957 CFJ BOT 1 2 1.842 3.545 0.000 0.00 1.00 -ATOM 1958 CFK BOT 1 2 1.842 3.545 3.350 0.00 1.00 -ATOM 1959 CFL BOT 1 2 1.842 3.545 6.700 0.00 1.00 -ATOM 1960 CFM BOT 1 2 0.614 5.672 0.000 0.00 1.00 -ATOM 1961 CFN BOT 1 2 0.614 5.672 3.350 0.00 1.00 -ATOM 1962 CFO BOT 1 2 0.614 5.672 6.700 0.00 1.00 -ATOM 1963 CFP BOT 1 2 28.858 7.799 0.000 0.00 1.00 -ATOM 1964 CFQ BOT 1 2 28.858 7.799 3.350 0.00 1.00 -ATOM 1965 CFR BOT 1 2 28.858 7.799 6.700 0.00 1.00 -ATOM 1966 CFS BOT 1 2 27.630 9.926 0.000 0.00 1.00 -ATOM 1967 CFT BOT 1 2 27.630 9.926 3.350 0.00 1.00 -ATOM 1968 CFU BOT 1 2 27.630 9.926 6.700 0.00 1.00 -ATOM 1969 CFV BOT 1 2 26.402 12.053 0.000 0.00 1.00 -ATOM 1970 CFW BOT 1 2 26.402 12.053 3.350 0.00 1.00 -ATOM 1971 CFX BOT 1 2 26.402 12.053 6.700 0.00 1.00 -ATOM 1972 CFY BOT 1 2 25.174 14.180 0.000 0.00 1.00 -ATOM 1973 CFZ BOT 1 2 25.174 14.180 3.350 0.00 1.00 -ATOM 1974 CFa BOT 1 2 25.174 14.180 6.700 0.00 1.00 -ATOM 1975 CFb BOT 1 2 14.122 16.306 0.000 0.00 1.00 -ATOM 1976 CFc BOT 1 2 14.122 16.306 3.350 0.00 1.00 -ATOM 1977 CFd BOT 1 2 14.122 16.306 6.700 0.00 1.00 -ATOM 1978 CFe BOT 1 2 12.894 18.433 0.000 0.00 1.00 -ATOM 1979 CFf BOT 1 2 12.894 18.433 3.350 0.00 1.00 -ATOM 1980 CFg BOT 1 2 12.894 18.433 6.700 0.00 1.00 -ATOM 1981 CFh BOT 1 2 11.666 20.560 0.000 0.00 1.00 -ATOM 1982 CFi BOT 1 2 11.666 20.560 3.350 0.00 1.00 -ATOM 1983 CFj BOT 1 2 11.666 20.560 6.700 0.00 1.00 -ATOM 1984 CFk BOT 1 2 10.438 22.687 0.000 0.00 1.00 -ATOM 1985 CFl BOT 1 2 10.438 22.687 3.350 0.00 1.00 -ATOM 1986 CFm BOT 1 2 10.438 22.687 6.700 0.00 1.00 -ATOM 1987 CFn BOT 1 2 9.210 24.814 0.000 0.00 1.00 -ATOM 1988 CFo BOT 1 2 9.210 24.814 3.350 0.00 1.00 -ATOM 1989 CFp BOT 1 2 9.210 24.814 6.700 0.00 1.00 -ATOM 1990 CFq BOT 1 2 7.982 26.941 0.000 0.00 1.00 -ATOM 1991 CFr BOT 1 2 7.982 26.941 3.350 0.00 1.00 -ATOM 1992 CFs BOT 1 2 7.982 26.941 6.700 0.00 1.00 -ATOM 1993 CFt BOT 1 2 6.754 29.068 0.000 0.00 1.00 -ATOM 1994 CFu BOT 1 2 6.754 29.068 3.350 0.00 1.00 -ATOM 1995 CFv BOT 1 2 6.754 29.068 6.700 0.00 1.00 -ATOM 1996 CFw BOT 1 2 5.526 1.418 0.000 0.00 1.00 -ATOM 1997 CFx BOT 1 2 5.526 1.418 3.350 0.00 1.00 -ATOM 1998 CFy BOT 1 2 5.526 1.418 6.700 0.00 1.00 -ATOM 1999 CFz BOT 1 2 4.298 3.545 0.000 0.00 1.00 -ATOM 2000 CG0 BOT 1 2 4.298 3.545 3.350 0.00 1.00 -ATOM 2001 CG1 BOT 1 2 4.298 3.545 6.700 0.00 1.00 -ATOM 2002 CG2 BOT 1 2 3.070 5.672 0.000 0.00 1.00 -ATOM 2003 CG3 BOT 1 2 3.070 5.672 3.350 0.00 1.00 -ATOM 2004 CG4 BOT 1 2 3.070 5.672 6.700 0.00 1.00 -ATOM 2005 CG5 BOT 1 2 1.842 7.799 0.000 0.00 1.00 -ATOM 2006 CG6 BOT 1 2 1.842 7.799 3.350 0.00 1.00 -ATOM 2007 CG7 BOT 1 2 1.842 7.799 6.700 0.00 1.00 -ATOM 2008 CG8 BOT 1 2 0.614 9.926 0.000 0.00 1.00 -ATOM 2009 CG9 BOT 1 2 0.614 9.926 3.350 0.00 1.00 -ATOM 2010 CGA BOT 1 2 0.614 9.926 6.700 0.00 1.00 -ATOM 2011 CGB BOT 1 2 28.858 12.053 0.000 0.00 1.00 -ATOM 2012 CGC BOT 1 2 28.858 12.053 3.350 0.00 1.00 -ATOM 2013 CGD BOT 1 2 28.858 12.053 6.700 0.00 1.00 -ATOM 2014 CGE BOT 1 2 27.630 14.180 0.000 0.00 1.00 -ATOM 2015 CGF BOT 1 2 27.630 14.180 3.350 0.00 1.00 -ATOM 2016 CGG BOT 1 2 27.630 14.180 6.700 0.00 1.00 -ATOM 2017 O1 H2O 1 3 22.637 10.675 23.630 0.00 0.00 -ATOM 2018 H1 H2O 1 3 22.057 11.148 24.294 0.00 0.00 -ATOM 2019 H2 H2O 1 3 23.495 11.178 23.519 0.00 0.00 -ATOM 2020 O1 H2O 2 4 27.010 27.645 19.722 0.00 0.00 -ATOM 2021 H1 H2O 2 4 26.899 27.215 20.618 0.00 0.00 -ATOM 2022 H2 H2O 2 4 26.782 28.617 19.789 0.00 0.00 -ATOM 2023 O1 H2O 3 5 10.732 18.106 21.870 0.00 0.00 -ATOM 2024 H1 H2O 3 5 10.329 18.639 21.126 0.00 0.00 -ATOM 2025 H2 H2O 3 5 10.004 17.688 22.413 0.00 0.00 -ATOM 2026 O1 H2O 4 6 28.627 25.975 23.811 0.00 0.00 -ATOM 2027 H1 H2O 4 6 29.136 25.978 24.672 0.00 0.00 -ATOM 2028 H2 H2O 4 6 28.040 25.166 23.773 0.00 0.00 -ATOM 2029 O1 H2O 5 7 17.016 23.878 19.720 0.00 0.00 -ATOM 2030 H1 H2O 5 7 17.054 23.956 18.724 0.00 0.00 -ATOM 2031 H2 H2O 5 7 17.603 23.126 20.019 0.00 0.00 -ATOM 2032 O1 H2O 6 8 13.189 14.575 20.260 0.00 0.00 -ATOM 2033 H1 H2O 6 8 13.021 13.592 20.339 0.00 0.00 -ATOM 2034 H2 H2O 6 8 12.369 15.027 19.910 0.00 0.00 -ATOM 2035 O1 H2O 7 9 25.623 5.651 22.335 0.00 0.00 -ATOM 2036 H1 H2O 7 9 25.062 6.262 22.893 0.00 0.00 -ATOM 2037 H2 H2O 7 9 26.582 5.738 22.606 0.00 0.00 -ATOM 2038 O1 H2O 8 10 22.846 22.779 23.272 0.00 0.00 -ATOM 2039 H1 H2O 8 10 22.245 22.139 22.792 0.00 0.00 -ATOM 2040 H2 H2O 8 10 22.984 22.466 24.211 0.00 0.00 -ATOM 2041 O1 H2O 9 11 27.687 10.430 23.656 0.00 0.00 -ATOM 2042 H1 H2O 9 11 26.838 9.987 23.942 0.00 0.00 -ATOM 2043 H2 H2O 9 11 27.589 11.422 23.738 0.00 0.00 -ATOM 2044 O1 H2O 0 12 11.304 20.330 23.253 0.00 0.00 -ATOM 2045 H1 H2O 0 12 11.040 19.408 22.970 0.00 0.00 -ATOM 2046 H2 H2O 0 12 10.537 20.956 23.108 0.00 0.00 -ATOM 2047 O1 H2O 1 13 13.643 28.267 20.898 0.00 0.00 -ATOM 2048 H1 H2O 1 13 14.584 28.588 21.007 0.00 0.00 -ATOM 2049 H2 H2O 1 13 13.110 28.958 20.409 0.00 0.00 -ATOM 2050 O1 H2O 2 14 9.874 2.664 23.846 0.00 0.00 -ATOM 2051 H1 H2O 2 14 9.402 3.526 23.660 0.00 0.00 -ATOM 2052 H2 H2O 2 14 10.860 2.826 23.887 0.00 0.00 -ATOM 2053 O1 H2O 3 15 0.109 20.439 19.748 0.00 0.00 -ATOM 2054 H1 H2O 3 15 0.226 19.486 19.467 0.00 0.00 -ATOM 2055 H2 H2O 3 15 1.007 20.856 19.891 0.00 0.00 -ATOM 2056 O1 H2O 4 16 27.611 6.991 23.703 0.00 0.00 -ATOM 2057 H1 H2O 4 16 28.413 7.576 23.586 0.00 0.00 -ATOM 2058 H2 H2O 4 16 26.830 7.548 23.985 0.00 0.00 -ATOM 2059 O1 H2O 5 17 18.403 25.481 23.598 0.00 0.00 -ATOM 2060 H1 H2O 5 17 17.863 24.644 23.681 0.00 0.00 -ATOM 2061 H2 H2O 5 17 19.338 25.249 23.328 0.00 0.00 -ATOM 2062 O1 H2O 6 18 0.982 8.127 20.684 0.00 0.00 -ATOM 2063 H1 H2O 6 18 0.218 8.718 20.943 0.00 0.00 -ATOM 2064 H2 H2O 6 18 1.704 8.194 21.372 0.00 0.00 -ATOM 2065 O1 H2O 7 19 13.268 17.319 23.434 0.00 0.00 -ATOM 2066 H1 H2O 7 19 12.727 17.350 22.593 0.00 0.00 -ATOM 2067 H2 H2O 7 19 13.612 18.234 23.643 0.00 0.00 -ATOM 2068 O1 H2O 8 20 27.963 1.784 23.577 0.00 0.00 -ATOM 2069 H1 H2O 8 20 28.179 2.710 23.268 0.00 0.00 -ATOM 2070 H2 H2O 8 20 28.362 1.632 24.481 0.00 0.00 -ATOM 2071 O1 H2O 9 21 19.232 4.256 23.139 0.00 0.00 -ATOM 2072 H1 H2O 9 21 20.206 4.437 23.274 0.00 0.00 -ATOM 2073 H2 H2O 9 21 19.014 3.338 23.471 0.00 0.00 -ATOM 2074 O1 H2O 0 22 23.862 22.389 19.980 0.00 0.00 -ATOM 2075 H1 H2O 0 22 24.066 23.356 19.830 0.00 0.00 -ATOM 2076 H2 H2O 0 22 22.871 22.252 19.974 0.00 0.00 -ATOM 2077 O1 H2O 1 23 28.149 15.971 23.877 0.00 0.00 -ATOM 2078 H1 H2O 1 23 28.811 16.706 23.731 0.00 0.00 -ATOM 2079 H2 H2O 1 23 27.252 16.257 23.538 0.00 0.00 -ATOM 2080 O1 H2O 2 24 2.953 11.111 23.015 0.00 0.00 -ATOM 2081 H1 H2O 2 24 2.261 11.721 22.629 0.00 0.00 -ATOM 2082 H2 H2O 2 24 2.738 10.925 23.973 0.00 0.00 -ATOM 2083 O1 H2O 3 25 12.292 3.415 22.884 0.00 0.00 -ATOM 2084 H1 H2O 3 25 12.407 4.096 23.608 0.00 0.00 -ATOM 2085 H2 H2O 3 25 12.658 3.776 22.026 0.00 0.00 -ATOM 2086 O1 H2O 4 26 27.749 25.093 20.082 0.00 0.00 -ATOM 2087 H1 H2O 4 26 27.740 25.980 19.620 0.00 0.00 -ATOM 2088 H2 H2O 4 26 27.021 25.066 20.767 0.00 0.00 -ATOM 2089 O1 H2O 5 27 7.807 1.469 20.821 0.00 0.00 -ATOM 2090 H1 H2O 5 27 8.663 1.899 20.534 0.00 0.00 -ATOM 2091 H2 H2O 5 27 7.962 0.947 21.660 0.00 0.00 -ATOM 2092 O1 H2O 6 28 3.030 3.480 19.537 0.00 0.00 -ATOM 2093 H1 H2O 6 28 3.792 2.899 19.822 0.00 0.00 -ATOM 2094 H2 H2O 6 28 2.881 3.375 18.554 0.00 0.00 -ATOM 2095 O1 H2O 7 29 20.035 19.088 20.479 0.00 0.00 -ATOM 2096 H1 H2O 7 29 20.628 19.481 19.775 0.00 0.00 -ATOM 2097 H2 H2O 7 29 19.089 19.365 20.309 0.00 0.00 -ATOM 2098 O1 H2O 8 30 3.638 29.190 23.939 0.00 0.00 -ATOM 2099 H1 H2O 8 30 4.165 28.371 24.166 0.00 0.00 -ATOM 2100 H2 H2O 8 30 2.663 29.000 24.051 0.00 0.00 -ATOM 2101 O1 H2O 9 31 4.481 7.921 20.036 0.00 0.00 -ATOM 2102 H1 H2O 9 31 3.953 7.922 20.886 0.00 0.00 -ATOM 2103 H2 H2O 9 31 4.841 7.003 19.869 0.00 0.00 -ATOM 2104 O1 H2O 0 32 29.548 17.661 19.834 0.00 0.00 -ATOM 2105 H1 H2O 0 32 28.612 17.895 20.098 0.00 0.00 -ATOM 2106 H2 H2O 0 32 29.656 16.667 19.835 0.00 0.00 -ATOM 2107 O1 H2O 1 33 18.274 5.456 19.793 0.00 0.00 -ATOM 2108 H1 H2O 1 33 18.754 6.330 19.714 0.00 0.00 -ATOM 2109 H2 H2O 1 33 17.292 5.603 19.671 0.00 0.00 -ATOM 2110 O1 H2O 2 34 26.037 0.455 20.175 0.00 0.00 -ATOM 2111 H1 H2O 2 34 25.429 1.249 20.182 0.00 0.00 -ATOM 2112 H2 H2O 2 34 26.956 0.737 20.451 0.00 0.00 -ATOM 2113 O1 H2O 3 35 21.624 8.189 22.614 0.00 0.00 -ATOM 2114 H1 H2O 3 35 22.005 7.380 23.063 0.00 0.00 -ATOM 2115 H2 H2O 3 35 21.993 9.013 23.043 0.00 0.00 -ATOM 2116 O1 H2O 4 36 12.075 14.799 23.338 0.00 0.00 -ATOM 2117 H1 H2O 4 36 12.305 15.708 23.685 0.00 0.00 -ATOM 2118 H2 H2O 4 36 12.916 14.283 23.174 0.00 0.00 -ATOM 2119 O1 H2O 5 37 15.903 0.473 19.708 0.00 0.00 -ATOM 2120 H1 H2O 5 37 15.057 0.681 19.218 0.00 0.00 -ATOM 2121 H2 H2O 5 37 15.946 1.018 20.545 0.00 0.00 -ATOM 2122 O1 H2O 6 38 16.468 15.505 23.273 0.00 0.00 -ATOM 2123 H1 H2O 6 38 16.054 15.790 22.408 0.00 0.00 -ATOM 2124 H2 H2O 6 38 16.106 16.067 24.017 0.00 0.00 -ATOM 2125 O1 H2O 7 39 8.907 24.699 21.795 0.00 0.00 -ATOM 2126 H1 H2O 7 39 8.357 25.513 21.610 0.00 0.00 -ATOM 2127 H2 H2O 7 39 8.968 24.142 20.967 0.00 0.00 -ATOM 2128 O1 H2O 8 40 8.542 7.081 20.631 0.00 0.00 -ATOM 2129 H1 H2O 8 40 8.193 6.266 20.169 0.00 0.00 -ATOM 2130 H2 H2O 8 40 9.514 7.190 20.426 0.00 0.00 -ATOM 2131 O1 H2O 9 41 27.479 13.415 23.464 0.00 0.00 -ATOM 2132 H1 H2O 9 41 27.648 14.355 23.760 0.00 0.00 -ATOM 2133 H2 H2O 9 41 27.223 13.410 22.497 0.00 0.00 -ATOM 2134 O1 H2O 0 42 24.337 0.578 22.839 0.00 0.00 -ATOM 2135 H1 H2O 0 42 24.726 1.496 22.768 0.00 0.00 -ATOM 2136 H2 H2O 0 42 25.053 -0.068 23.103 0.00 0.00 -ATOM 2137 O1 H2O 1 43 18.795 22.181 23.401 0.00 0.00 -ATOM 2138 H1 H2O 1 43 18.629 21.237 23.687 0.00 0.00 -ATOM 2139 H2 H2O 1 43 19.688 22.479 23.740 0.00 0.00 -ATOM 2140 O1 H2O 2 44 28.805 6.165 19.661 0.00 0.00 -ATOM 2141 H1 H2O 2 44 27.868 6.483 19.803 0.00 0.00 -ATOM 2142 H2 H2O 2 44 29.446 6.846 20.017 0.00 0.00 -ATOM 2143 O1 H2O 3 45 4.501 19.042 22.549 0.00 0.00 -ATOM 2144 H1 H2O 3 45 4.384 18.158 23.001 0.00 0.00 -ATOM 2145 H2 H2O 3 45 3.940 19.730 23.011 0.00 0.00 -ATOM 2146 O1 H2O 4 46 20.695 27.907 19.577 0.00 0.00 -ATOM 2147 H1 H2O 4 46 21.198 28.516 18.964 0.00 0.00 -ATOM 2148 H2 H2O 4 46 19.771 28.262 19.716 0.00 0.00 -ATOM 2149 O1 H2O 5 47 29.452 20.156 22.550 0.00 0.00 -ATOM 2150 H1 H2O 5 47 28.511 20.024 22.861 0.00 0.00 -ATOM 2151 H2 H2O 5 47 29.478 20.145 21.550 0.00 0.00 -ATOM 2152 O1 H2O 6 48 5.084 7.548 23.902 0.00 0.00 -ATOM 2153 H1 H2O 6 48 6.040 7.339 23.698 0.00 0.00 -ATOM 2154 H2 H2O 6 48 4.958 7.598 24.893 0.00 0.00 -ATOM 2155 O1 H2O 7 49 25.015 19.814 19.967 0.00 0.00 -ATOM 2156 H1 H2O 7 49 24.238 19.188 19.901 0.00 0.00 -ATOM 2157 H2 H2O 7 49 24.689 20.758 19.908 0.00 0.00 -ATOM 2158 O1 H2O 8 50 12.155 27.131 23.359 0.00 0.00 -ATOM 2159 H1 H2O 8 50 12.024 26.790 22.428 0.00 0.00 -ATOM 2160 H2 H2O 8 50 11.970 28.113 23.383 0.00 0.00 -ATOM 2161 O1 H2O 9 51 13.248 6.466 22.376 0.00 0.00 -ATOM 2162 H1 H2O 9 51 12.405 6.849 22.754 0.00 0.00 -ATOM 2163 H2 H2O 9 51 13.469 6.928 21.517 0.00 0.00 -ATOM 2164 O1 H2O 0 52 27.145 19.787 23.554 0.00 0.00 -ATOM 2165 H1 H2O 0 52 26.515 20.434 23.125 0.00 0.00 -ATOM 2166 H2 H2O 0 52 27.075 19.863 24.549 0.00 0.00 -ATOM 2167 O1 H2O 1 53 18.443 19.550 23.770 0.00 0.00 -ATOM 2168 H1 H2O 1 53 17.453 19.428 23.698 0.00 0.00 -ATOM 2169 H2 H2O 1 53 18.906 18.778 23.335 0.00 0.00 -ATOM 2170 O1 H2O 2 54 0.308 8.793 23.465 0.00 0.00 -ATOM 2171 H1 H2O 2 54 -0.341 9.498 23.753 0.00 0.00 -ATOM 2172 H2 H2O 2 54 1.177 9.222 23.219 0.00 0.00 -ATOM 2173 O1 H2O 3 55 10.989 10.488 23.273 0.00 0.00 -ATOM 2174 H1 H2O 3 55 10.972 10.393 22.278 0.00 0.00 -ATOM 2175 H2 H2O 3 55 11.933 10.428 23.598 0.00 0.00 -ATOM 2176 O1 H2O 4 56 2.645 0.197 19.945 0.00 0.00 -ATOM 2177 H1 H2O 4 56 2.264 0.527 20.809 0.00 0.00 -ATOM 2178 H2 H2O 4 56 3.471 0.715 19.726 0.00 0.00 -ATOM 2179 O1 H2O 5 57 14.624 23.077 20.357 0.00 0.00 -ATOM 2180 H1 H2O 5 57 14.252 24.005 20.355 0.00 0.00 -ATOM 2181 H2 H2O 5 57 15.622 23.117 20.305 0.00 0.00 -ATOM 2182 O1 H2O 6 58 16.326 23.611 23.491 0.00 0.00 -ATOM 2183 H1 H2O 6 58 15.435 23.492 23.930 0.00 0.00 -ATOM 2184 H2 H2O 6 58 16.815 22.739 23.490 0.00 0.00 -ATOM 2185 O1 H2O 7 59 26.895 17.656 20.169 0.00 0.00 -ATOM 2186 H1 H2O 7 59 26.713 17.375 21.112 0.00 0.00 -ATOM 2187 H2 H2O 7 59 26.400 18.501 19.972 0.00 0.00 -ATOM 2188 O1 H2O 8 60 21.263 10.307 20.068 0.00 0.00 -ATOM 2189 H1 H2O 8 60 21.749 9.463 19.842 0.00 0.00 -ATOM 2190 H2 H2O 8 60 21.754 11.088 19.682 0.00 0.00 -ATOM 2191 O1 H2O 9 61 5.147 1.403 23.323 0.00 0.00 -ATOM 2192 H1 H2O 9 61 6.104 1.247 23.570 0.00 0.00 -ATOM 2193 H2 H2O 9 61 4.612 0.583 23.528 0.00 0.00 -ATOM 2194 O1 H2O 0 62 1.211 14.613 23.280 0.00 0.00 -ATOM 2195 H1 H2O 0 62 0.339 15.056 23.487 0.00 0.00 -ATOM 2196 H2 H2O 0 62 1.963 15.216 23.547 0.00 0.00 -ATOM 2197 O1 H2O 1 63 25.350 8.923 23.722 0.00 0.00 -ATOM 2198 H1 H2O 1 63 24.559 9.150 24.291 0.00 0.00 -ATOM 2199 H2 H2O 1 63 25.053 8.789 22.777 0.00 0.00 -ATOM 2200 O1 H2O 2 64 18.732 22.133 20.755 0.00 0.00 -ATOM 2201 H1 H2O 2 64 18.380 21.244 20.461 0.00 0.00 -ATOM 2202 H2 H2O 2 64 18.718 22.183 21.754 0.00 0.00 -ATOM 2203 O1 H2O 3 65 21.308 22.655 20.315 0.00 0.00 -ATOM 2204 H1 H2O 3 65 21.430 23.640 20.436 0.00 0.00 -ATOM 2205 H2 H2O 3 65 20.332 22.436 20.324 0.00 0.00 -ATOM 2206 O1 H2O 4 66 0.749 17.561 23.655 0.00 0.00 -ATOM 2207 H1 H2O 4 66 0.720 18.558 23.585 0.00 0.00 -ATOM 2208 H2 H2O 4 66 1.696 17.249 23.587 0.00 0.00 -ATOM 2209 O1 H2O 5 67 11.041 23.126 20.498 0.00 0.00 -ATOM 2210 H1 H2O 5 67 11.766 23.018 19.817 0.00 0.00 -ATOM 2211 H2 H2O 5 67 10.838 22.239 20.912 0.00 0.00 -ATOM 2212 O1 H2O 6 68 15.737 29.220 23.810 0.00 0.00 -ATOM 2213 H1 H2O 6 68 14.885 29.736 23.721 0.00 0.00 -ATOM 2214 H2 H2O 6 68 15.539 28.241 23.768 0.00 0.00 -ATOM 2215 O1 H2O 7 69 24.950 9.093 20.193 0.00 0.00 -ATOM 2216 H1 H2O 7 69 24.027 8.716 20.110 0.00 0.00 -ATOM 2217 H2 H2O 7 69 24.898 10.088 20.277 0.00 0.00 -ATOM 2218 O1 H2O 8 70 13.724 9.775 23.075 0.00 0.00 -ATOM 2219 H1 H2O 8 70 14.601 9.869 22.604 0.00 0.00 -ATOM 2220 H2 H2O 8 70 13.299 8.907 22.819 0.00 0.00 -ATOM 2221 O1 H2O 9 71 19.239 10.753 23.203 0.00 0.00 -ATOM 2222 H1 H2O 9 71 19.548 10.670 22.256 0.00 0.00 -ATOM 2223 H2 H2O 9 71 19.617 11.587 23.605 0.00 0.00 -ATOM 2224 O1 H2O 0 72 2.716 18.183 19.635 0.00 0.00 -ATOM 2225 H1 H2O 0 72 1.755 17.910 19.689 0.00 0.00 -ATOM 2226 H2 H2O 0 72 2.827 19.092 20.038 0.00 0.00 -ATOM 2227 O1 H2O 1 73 11.038 29.646 23.180 0.00 0.00 -ATOM 2228 H1 H2O 1 73 10.340 29.004 22.862 0.00 0.00 -ATOM 2229 H2 H2O 1 73 10.649 30.566 23.226 0.00 0.00 -ATOM 2230 O1 H2O 2 74 24.061 27.868 20.236 0.00 0.00 -ATOM 2231 H1 H2O 2 74 23.334 28.251 20.806 0.00 0.00 -ATOM 2232 H2 H2O 2 74 24.771 28.557 20.092 0.00 0.00 -ATOM 2233 O1 H2O 3 75 20.833 17.568 22.635 0.00 0.00 -ATOM 2234 H1 H2O 3 75 20.523 18.083 21.836 0.00 0.00 -ATOM 2235 H2 H2O 3 75 20.193 16.823 22.821 0.00 0.00 -ATOM 2236 O1 H2O 4 76 22.284 13.082 20.959 0.00 0.00 -ATOM 2237 H1 H2O 4 76 22.609 13.517 21.799 0.00 0.00 -ATOM 2238 H2 H2O 4 76 21.625 12.366 21.189 0.00 0.00 -ATOM 2239 O1 H2O 5 77 9.537 12.709 20.206 0.00 0.00 -ATOM 2240 H1 H2O 5 77 9.867 11.776 20.064 0.00 0.00 -ATOM 2241 H2 H2O 5 77 9.782 13.013 21.127 0.00 0.00 -ATOM 2242 O1 H2O 6 78 27.401 22.276 20.144 0.00 0.00 -ATOM 2243 H1 H2O 6 78 27.842 21.491 19.709 0.00 0.00 -ATOM 2244 H2 H2O 6 78 27.942 23.099 19.972 0.00 0.00 -ATOM 2245 O1 H2O 7 79 8.729 4.757 23.116 0.00 0.00 -ATOM 2246 H1 H2O 7 79 7.814 4.418 23.332 0.00 0.00 -ATOM 2247 H2 H2O 7 79 8.699 5.750 23.002 0.00 0.00 -ATOM 2248 O1 H2O 8 80 6.919 23.110 23.714 0.00 0.00 -ATOM 2249 H1 H2O 8 80 6.400 23.045 24.567 0.00 0.00 -ATOM 2250 H2 H2O 8 80 6.286 23.210 22.946 0.00 0.00 -ATOM 2251 O1 H2O 9 81 28.397 29.278 22.020 0.00 0.00 -ATOM 2252 H1 H2O 9 81 28.731 29.516 21.108 0.00 0.00 -ATOM 2253 H2 H2O 9 81 28.240 30.113 22.546 0.00 0.00 -ATOM 2254 O1 H2O 0 82 23.181 27.238 23.822 0.00 0.00 -ATOM 2255 H1 H2O 0 82 23.713 28.027 24.130 0.00 0.00 -ATOM 2256 H2 H2O 0 82 22.214 27.487 23.774 0.00 0.00 -ATOM 2257 O1 H2O 1 83 17.520 9.011 19.839 0.00 0.00 -ATOM 2258 H1 H2O 1 83 18.256 8.478 20.257 0.00 0.00 -ATOM 2259 H2 H2O 1 83 16.863 9.281 20.544 0.00 0.00 -ATOM 2260 O1 H2O 2 84 0.656 23.953 20.190 0.00 0.00 -ATOM 2261 H1 H2O 2 84 0.367 23.503 21.035 0.00 0.00 -ATOM 2262 H2 H2O 2 84 -0.121 24.435 19.787 0.00 0.00 -ATOM 2263 O1 H2O 3 85 28.018 2.575 20.054 0.00 0.00 -ATOM 2264 H1 H2O 3 85 27.389 3.232 19.637 0.00 0.00 -ATOM 2265 H2 H2O 3 85 28.865 3.041 20.309 0.00 0.00 -ATOM 2266 O1 H2O 4 86 9.979 2.733 19.862 0.00 0.00 -ATOM 2267 H1 H2O 4 86 10.219 3.664 20.139 0.00 0.00 -ATOM 2268 H2 H2O 4 86 10.180 2.612 18.890 0.00 0.00 -ATOM 2269 O1 H2O 5 87 -0.063 29.522 19.664 0.00 0.00 -ATOM 2270 H1 H2O 5 87 0.920 29.697 19.616 0.00 0.00 -ATOM 2271 H2 H2O 5 87 -0.411 29.318 18.749 0.00 0.00 -ATOM 2272 O1 H2O 6 88 19.042 15.575 22.347 0.00 0.00 -ATOM 2273 H1 H2O 6 88 19.104 15.862 21.391 0.00 0.00 -ATOM 2274 H2 H2O 6 88 18.088 15.610 22.645 0.00 0.00 -ATOM 2275 O1 H2O 7 89 22.110 15.689 19.815 0.00 0.00 -ATOM 2276 H1 H2O 7 89 21.218 16.028 20.112 0.00 0.00 -ATOM 2277 H2 H2O 7 89 22.195 14.721 20.053 0.00 0.00 -ATOM 2278 O1 H2O 8 90 6.740 12.578 19.846 0.00 0.00 -ATOM 2279 H1 H2O 8 90 7.704 12.316 19.813 0.00 0.00 -ATOM 2280 H2 H2O 8 90 6.172 11.756 19.890 0.00 0.00 -ATOM 2281 O1 H2O 9 91 7.635 20.857 20.758 0.00 0.00 -ATOM 2282 H1 H2O 9 91 7.806 19.986 20.298 0.00 0.00 -ATOM 2283 H2 H2O 9 91 7.364 20.686 21.706 0.00 0.00 -ATOM 2284 O1 H2O 0 92 29.694 14.951 20.074 0.00 0.00 -ATOM 2285 H1 H2O 0 92 29.311 14.584 20.922 0.00 0.00 -ATOM 2286 H2 H2O 0 92 29.213 14.554 19.292 0.00 0.00 -ATOM 2287 O1 H2O 1 93 7.640 23.411 19.680 0.00 0.00 -ATOM 2288 H1 H2O 1 93 7.893 22.454 19.817 0.00 0.00 -ATOM 2289 H2 H2O 1 93 7.680 23.630 18.705 0.00 0.00 -ATOM 2290 O1 H2O 2 94 24.664 11.729 20.820 0.00 0.00 -ATOM 2291 H1 H2O 2 94 25.483 12.250 20.579 0.00 0.00 -ATOM 2292 H2 H2O 2 94 23.862 12.324 20.762 0.00 0.00 -ATOM 2293 O1 H2O 3 95 24.793 12.366 23.481 0.00 0.00 -ATOM 2294 H1 H2O 3 95 25.602 12.769 23.909 0.00 0.00 -ATOM 2295 H2 H2O 3 95 24.992 12.157 22.524 0.00 0.00 -ATOM 2296 O1 H2O 4 96 5.434 18.434 19.925 0.00 0.00 -ATOM 2297 H1 H2O 4 96 4.530 18.259 19.537 0.00 0.00 -ATOM 2298 H2 H2O 4 96 5.343 18.660 20.895 0.00 0.00 -ATOM 2299 O1 H2O 5 97 7.950 17.912 20.049 0.00 0.00 -ATOM 2300 H1 H2O 5 97 6.972 18.057 19.896 0.00 0.00 -ATOM 2301 H2 H2O 5 97 8.154 16.934 19.997 0.00 0.00 -ATOM 2302 O1 H2O 6 98 7.476 29.015 19.569 0.00 0.00 -ATOM 2303 H1 H2O 6 98 7.716 29.921 19.917 0.00 0.00 -ATOM 2304 H2 H2O 6 98 7.054 29.106 18.667 0.00 0.00 -ATOM 2305 O1 H2O 7 99 20.856 24.699 22.641 0.00 0.00 -ATOM 2306 H1 H2O 7 99 20.998 24.921 21.677 0.00 0.00 -ATOM 2307 H2 H2O 7 99 21.457 23.943 22.901 0.00 0.00 -ATOM 2308 O1 H2O 8 100 14.074 12.846 23.369 0.00 0.00 -ATOM 2309 H1 H2O 8 100 15.047 12.724 23.568 0.00 0.00 -ATOM 2310 H2 H2O 8 100 13.651 11.952 23.217 0.00 0.00 -ATOM 2311 O1 H2O 9 101 23.343 6.221 23.704 0.00 0.00 -ATOM 2312 H1 H2O 9 101 23.605 6.436 24.645 0.00 0.00 -ATOM 2313 H2 H2O 9 101 22.788 5.389 23.694 0.00 0.00 -ATOM 2314 O1 H2O 0 102 11.499 7.880 19.712 0.00 0.00 -ATOM 2315 H1 H2O 0 102 12.412 8.287 19.730 0.00 0.00 -ATOM 2316 H2 H2O 0 102 11.554 6.925 20.003 0.00 0.00 -ATOM 2317 O1 H2O 1 103 5.624 23.725 21.394 0.00 0.00 -ATOM 2318 H1 H2O 1 103 6.208 23.632 20.588 0.00 0.00 -ATOM 2319 H2 H2O 1 103 4.665 23.650 21.121 0.00 0.00 -ATOM 2320 O1 H2O 2 104 8.593 27.845 24.015 0.00 0.00 -ATOM 2321 H1 H2O 2 104 8.159 27.293 23.304 0.00 0.00 -ATOM 2322 H2 H2O 2 104 8.746 27.283 24.828 0.00 0.00 -ATOM 2323 O1 H2O 3 105 23.106 18.107 20.360 0.00 0.00 -ATOM 2324 H1 H2O 3 105 22.841 18.106 21.325 0.00 0.00 -ATOM 2325 H2 H2O 3 105 22.918 17.210 19.962 0.00 0.00 -ATOM 2326 O1 H2O 4 106 6.206 16.311 22.720 0.00 0.00 -ATOM 2327 H1 H2O 4 106 5.672 16.331 21.875 0.00 0.00 -ATOM 2328 H2 H2O 4 106 6.620 15.408 22.832 0.00 0.00 -ATOM 2329 O1 H2O 5 107 1.177 12.520 21.509 0.00 0.00 -ATOM 2330 H1 H2O 5 107 0.306 12.158 21.176 0.00 0.00 -ATOM 2331 H2 H2O 5 107 1.004 13.231 22.191 0.00 0.00 -ATOM 2332 O1 H2O 6 108 7.758 4.450 20.404 0.00 0.00 -ATOM 2333 H1 H2O 6 108 8.337 4.432 21.219 0.00 0.00 -ATOM 2334 H2 H2O 6 108 8.060 3.742 19.766 0.00 0.00 -ATOM 2335 O1 H2O 7 109 21.457 20.376 22.917 0.00 0.00 -ATOM 2336 H1 H2O 7 109 21.359 19.822 23.744 0.00 0.00 -ATOM 2337 H2 H2O 7 109 21.290 19.807 22.112 0.00 0.00 -ATOM 2338 O1 H2O 8 110 16.857 12.461 23.309 0.00 0.00 -ATOM 2339 H1 H2O 8 110 17.780 12.091 23.205 0.00 0.00 -ATOM 2340 H2 H2O 8 110 16.899 13.329 23.803 0.00 0.00 -ATOM 2341 O1 H2O 9 111 21.768 1.114 23.779 0.00 0.00 -ATOM 2342 H1 H2O 9 111 21.876 1.239 24.765 0.00 0.00 -ATOM 2343 H2 H2O 9 111 22.656 0.907 23.370 0.00 0.00 -ATOM 2344 O1 H2O 0 112 9.985 13.174 23.148 0.00 0.00 -ATOM 2345 H1 H2O 0 112 10.659 13.909 23.081 0.00 0.00 -ATOM 2346 H2 H2O 0 112 10.449 12.315 23.364 0.00 0.00 -ATOM 2347 O1 H2O 1 113 13.891 19.904 23.657 0.00 0.00 -ATOM 2348 H1 H2O 1 113 14.265 20.466 24.395 0.00 0.00 -ATOM 2349 H2 H2O 1 113 12.927 20.132 23.519 0.00 0.00 -ATOM 2350 O1 H2O 2 114 2.707 20.806 20.480 0.00 0.00 -ATOM 2351 H1 H2O 2 114 3.023 21.682 20.117 0.00 0.00 -ATOM 2352 H2 H2O 2 114 2.811 20.800 21.475 0.00 0.00 -ATOM 2353 O1 H2O 3 115 13.491 11.486 19.793 0.00 0.00 -ATOM 2354 H1 H2O 3 115 13.492 11.522 18.794 0.00 0.00 -ATOM 2355 H2 H2O 3 115 14.395 11.741 20.136 0.00 0.00 -ATOM 2356 O1 H2O 4 116 19.484 7.578 21.135 0.00 0.00 -ATOM 2357 H1 H2O 4 116 19.989 7.811 21.966 0.00 0.00 -ATOM 2358 H2 H2O 4 116 19.992 6.889 20.618 0.00 0.00 -ATOM 2359 O1 H2O 5 117 2.914 20.988 23.068 0.00 0.00 -ATOM 2360 H1 H2O 5 117 3.274 21.788 23.548 0.00 0.00 -ATOM 2361 H2 H2O 5 117 1.915 21.035 23.044 0.00 0.00 -ATOM 2362 O1 H2O 6 118 10.680 7.590 23.132 0.00 0.00 -ATOM 2363 H1 H2O 6 118 10.814 8.552 23.369 0.00 0.00 -ATOM 2364 H2 H2O 6 118 9.785 7.287 23.461 0.00 0.00 -ATOM 2365 O1 H2O 7 119 17.095 6.013 22.811 0.00 0.00 -ATOM 2366 H1 H2O 7 119 17.851 5.366 22.715 0.00 0.00 -ATOM 2367 H2 H2O 7 119 17.457 6.918 23.033 0.00 0.00 -ATOM 2368 O1 H2O 8 120 7.922 7.344 23.297 0.00 0.00 -ATOM 2369 H1 H2O 8 120 7.879 8.286 23.628 0.00 0.00 -ATOM 2370 H2 H2O 8 120 7.948 7.343 22.297 0.00 0.00 -ATOM 2371 O1 H2O 9 121 5.615 15.139 19.737 0.00 0.00 -ATOM 2372 H1 H2O 9 121 4.618 15.145 19.818 0.00 0.00 -ATOM 2373 H2 H2O 9 121 5.948 14.198 19.791 0.00 0.00 -ATOM 2374 O1 H2O 0 122 18.361 28.544 23.722 0.00 0.00 -ATOM 2375 H1 H2O 0 122 17.391 28.763 23.831 0.00 0.00 -ATOM 2376 H2 H2O 0 122 18.513 27.582 23.949 0.00 0.00 -ATOM 2377 O1 H2O 1 123 19.980 13.422 23.539 0.00 0.00 -ATOM 2378 H1 H2O 1 123 20.881 13.823 23.704 0.00 0.00 -ATOM 2379 H2 H2O 1 123 19.429 14.055 22.995 0.00 0.00 -ATOM 2380 O1 H2O 2 124 13.403 3.729 20.311 0.00 0.00 -ATOM 2381 H1 H2O 2 124 13.099 3.143 19.559 0.00 0.00 -ATOM 2382 H2 H2O 2 124 14.103 3.254 20.843 0.00 0.00 -ATOM 2383 O1 H2O 3 125 15.372 5.799 19.911 0.00 0.00 -ATOM 2384 H1 H2O 3 125 15.749 5.791 20.836 0.00 0.00 -ATOM 2385 H2 H2O 3 125 14.576 5.194 19.870 0.00 0.00 -ATOM 2386 O1 H2O 4 126 26.194 17.222 22.648 0.00 0.00 -ATOM 2387 H1 H2O 4 126 26.508 18.082 23.048 0.00 0.00 -ATOM 2388 H2 H2O 4 126 25.252 17.046 22.933 0.00 0.00 -ATOM 2389 O1 H2O 5 127 17.500 26.170 21.006 0.00 0.00 -ATOM 2390 H1 H2O 5 127 17.819 26.031 21.944 0.00 0.00 -ATOM 2391 H2 H2O 5 127 17.232 25.292 20.611 0.00 0.00 -ATOM 2392 O1 H2O 6 128 4.973 10.577 19.745 0.00 0.00 -ATOM 2393 H1 H2O 6 128 4.267 11.253 19.536 0.00 0.00 -ATOM 2394 H2 H2O 6 128 4.574 9.660 19.726 0.00 0.00 -ATOM 2395 O1 H2O 7 129 13.590 0.775 23.662 0.00 0.00 -ATOM 2396 H1 H2O 7 129 13.597 1.653 23.184 0.00 0.00 -ATOM 2397 H2 H2O 7 129 12.698 0.339 23.545 0.00 0.00 -ATOM 2398 O1 H2O 8 130 7.273 9.479 20.839 0.00 0.00 -ATOM 2399 H1 H2O 8 130 7.428 8.673 20.268 0.00 0.00 -ATOM 2400 H2 H2O 8 130 6.372 9.863 20.634 0.00 0.00 -ATOM 2401 O1 H2O 9 131 13.490 23.551 23.366 0.00 0.00 -ATOM 2402 H1 H2O 9 131 12.530 23.801 23.493 0.00 0.00 -ATOM 2403 H2 H2O 9 131 13.563 22.872 22.636 0.00 0.00 -ATOM 2404 O1 H2O 0 132 25.251 3.112 22.992 0.00 0.00 -ATOM 2405 H1 H2O 0 132 26.150 2.710 23.166 0.00 0.00 -ATOM 2406 H2 H2O 0 132 25.350 4.094 22.832 0.00 0.00 -ATOM 2407 O1 H2O 1 133 4.559 26.214 19.826 0.00 0.00 -ATOM 2408 H1 H2O 1 133 4.843 27.034 19.330 0.00 0.00 -ATOM 2409 H2 H2O 1 133 3.597 26.298 20.087 0.00 0.00 -ATOM 2410 O1 H2O 2 134 8.282 10.215 23.367 0.00 0.00 -ATOM 2411 H1 H2O 2 134 8.001 10.041 22.424 0.00 0.00 -ATOM 2412 H2 H2O 2 134 9.172 10.672 23.372 0.00 0.00 -ATOM 2413 O1 H2O 3 135 3.913 23.279 23.949 0.00 0.00 -ATOM 2414 H1 H2O 3 135 3.769 24.029 23.304 0.00 0.00 -ATOM 2415 H2 H2O 3 135 3.817 23.621 24.884 0.00 0.00 -ATOM 2416 O1 H2O 4 136 18.209 28.686 20.408 0.00 0.00 -ATOM 2417 H1 H2O 4 136 17.530 29.315 20.028 0.00 0.00 -ATOM 2418 H2 H2O 4 136 17.860 27.750 20.359 0.00 0.00 -ATOM 2419 O1 H2O 5 137 26.252 4.838 19.779 0.00 0.00 -ATOM 2420 H1 H2O 5 137 25.609 5.228 19.119 0.00 0.00 -ATOM 2421 H2 H2O 5 137 25.985 5.109 20.704 0.00 0.00 -ATOM 2422 O1 H2O 6 138 0.731 4.104 20.743 0.00 0.00 -ATOM 2423 H1 H2O 6 138 1.644 4.297 20.384 0.00 0.00 -ATOM 2424 H2 H2O 6 138 0.099 4.822 20.450 0.00 0.00 -ATOM 2425 O1 H2O 7 139 10.843 24.361 23.625 0.00 0.00 -ATOM 2426 H1 H2O 7 139 9.982 24.365 23.117 0.00 0.00 -ATOM 2427 H2 H2O 7 139 11.147 25.303 23.774 0.00 0.00 -ATOM 2428 O1 H2O 8 140 2.846 15.490 20.081 0.00 0.00 -ATOM 2429 H1 H2O 8 140 2.886 16.480 19.943 0.00 0.00 -ATOM 2430 H2 H2O 8 140 1.897 15.213 20.231 0.00 0.00 -ATOM 2431 O1 H2O 9 141 24.386 2.547 20.307 0.00 0.00 -ATOM 2432 H1 H2O 9 141 24.997 3.238 19.920 0.00 0.00 -ATOM 2433 H2 H2O 9 141 24.444 2.573 21.305 0.00 0.00 -ATOM 2434 O1 H2O 0 142 0.570 27.293 21.868 0.00 0.00 -ATOM 2435 H1 H2O 0 142 0.120 26.798 22.611 0.00 0.00 -ATOM 2436 H2 H2O 0 142 0.047 28.117 21.652 0.00 0.00 -ATOM 2437 O1 H2O 1 143 14.935 4.874 23.655 0.00 0.00 -ATOM 2438 H1 H2O 1 143 15.806 5.348 23.530 0.00 0.00 -ATOM 2439 H2 H2O 1 143 14.198 5.421 23.260 0.00 0.00 -ATOM 2440 O1 H2O 2 144 8.270 15.100 19.960 0.00 0.00 -ATOM 2441 H1 H2O 2 144 7.282 14.980 20.064 0.00 0.00 -ATOM 2442 H2 H2O 2 144 8.710 14.205 19.894 0.00 0.00 -ATOM 2443 O1 H2O 3 145 14.413 25.677 20.290 0.00 0.00 -ATOM 2444 H1 H2O 3 145 15.235 25.380 19.803 0.00 0.00 -ATOM 2445 H2 H2O 3 145 14.493 26.646 20.520 0.00 0.00 -ATOM 2446 O1 H2O 4 146 15.387 2.790 21.939 0.00 0.00 -ATOM 2447 H1 H2O 4 146 15.316 3.581 22.548 0.00 0.00 -ATOM 2448 H2 H2O 4 146 16.216 2.869 21.385 0.00 0.00 -ATOM 2449 O1 H2O 5 147 18.809 11.269 19.659 0.00 0.00 -ATOM 2450 H1 H2O 5 147 18.275 10.424 19.641 0.00 0.00 -ATOM 2451 H2 H2O 5 147 19.784 11.048 19.635 0.00 0.00 -ATOM 2452 O1 H2O 6 148 4.899 1.604 20.456 0.00 0.00 -ATOM 2453 H1 H2O 6 148 4.639 1.477 21.413 0.00 0.00 -ATOM 2454 H2 H2O 6 148 5.896 1.643 20.383 0.00 0.00 -ATOM 2455 O1 H2O 7 149 3.261 25.387 22.366 0.00 0.00 -ATOM 2456 H1 H2O 7 149 4.024 25.367 21.719 0.00 0.00 -ATOM 2457 H2 H2O 7 149 2.408 25.549 21.870 0.00 0.00 -ATOM 2458 O1 H2O 8 150 3.132 8.611 22.269 0.00 0.00 -ATOM 2459 H1 H2O 8 150 3.068 9.600 22.405 0.00 0.00 -ATOM 2460 H2 H2O 8 150 3.817 8.233 22.892 0.00 0.00 -ATOM 2461 O1 H2O 9 151 2.126 10.458 19.656 0.00 0.00 -ATOM 2462 H1 H2O 9 151 1.253 10.939 19.738 0.00 0.00 -ATOM 2463 H2 H2O 9 151 1.963 9.471 19.641 0.00 0.00 -ATOM 2464 O1 H2O 0 152 16.134 11.973 19.904 0.00 0.00 -ATOM 2465 H1 H2O 0 152 17.017 11.908 19.439 0.00 0.00 -ATOM 2466 H2 H2O 0 152 16.240 12.499 20.748 0.00 0.00 -ATOM 2467 O1 H2O 1 153 27.868 9.277 20.904 0.00 0.00 -ATOM 2468 H1 H2O 1 153 26.923 9.018 20.704 0.00 0.00 -ATOM 2469 H2 H2O 1 153 27.922 9.654 21.829 0.00 0.00 -ATOM 2470 O1 H2O 2 154 28.141 4.336 22.978 0.00 0.00 -ATOM 2471 H1 H2O 2 154 28.459 4.646 22.081 0.00 0.00 -ATOM 2472 H2 H2O 2 154 28.209 5.089 23.633 0.00 0.00 -ATOM 2473 O1 H2O 3 155 5.597 11.501 23.083 0.00 0.00 -ATOM 2474 H1 H2O 3 155 5.952 11.114 23.934 0.00 0.00 -ATOM 2475 H2 H2O 3 155 4.597 11.469 23.094 0.00 0.00 -ATOM 2476 O1 H2O 4 156 3.863 5.356 22.568 0.00 0.00 -ATOM 2477 H1 H2O 4 156 4.278 5.252 21.664 0.00 0.00 -ATOM 2478 H2 H2O 4 156 4.276 6.138 23.036 0.00 0.00 -ATOM 2479 O1 H2O 5 157 8.520 17.648 23.152 0.00 0.00 -ATOM 2480 H1 H2O 5 157 7.747 17.023 23.043 0.00 0.00 -ATOM 2481 H2 H2O 5 157 8.221 18.584 22.966 0.00 0.00 -ATOM 2482 O1 H2O 6 158 11.453 25.969 20.892 0.00 0.00 -ATOM 2483 H1 H2O 6 158 11.241 24.992 20.857 0.00 0.00 -ATOM 2484 H2 H2O 6 158 12.342 26.132 20.465 0.00 0.00 -ATOM 2485 O1 H2O 7 159 22.602 7.798 19.997 0.00 0.00 -ATOM 2486 H1 H2O 7 159 22.260 7.923 20.928 0.00 0.00 -ATOM 2487 H2 H2O 7 159 22.534 6.833 19.743 0.00 0.00 -ATOM 2488 O1 H2O 8 160 23.402 17.187 23.416 0.00 0.00 -ATOM 2489 H1 H2O 8 160 23.740 17.653 24.234 0.00 0.00 -ATOM 2490 H2 H2O 8 160 22.428 17.383 23.299 0.00 0.00 -ATOM 2491 O1 H2O 9 161 2.169 3.519 23.686 0.00 0.00 -ATOM 2492 H1 H2O 9 161 2.806 4.236 23.404 0.00 0.00 -ATOM 2493 H2 H2O 9 161 1.430 3.923 24.225 0.00 0.00 -ATOM 2494 O1 H2O 0 162 1.975 26.240 19.984 0.00 0.00 -ATOM 2495 H1 H2O 0 162 1.401 25.428 19.880 0.00 0.00 -ATOM 2496 H2 H2O 0 162 1.439 26.976 20.399 0.00 0.00 -ATOM 2497 O1 H2O 1 163 9.167 21.909 22.799 0.00 0.00 -ATOM 2498 H1 H2O 1 163 8.803 21.615 21.915 0.00 0.00 -ATOM 2499 H2 H2O 1 163 8.415 22.015 23.450 0.00 0.00 -ATOM 2500 O1 H2O 2 164 26.971 23.885 23.571 0.00 0.00 -ATOM 2501 H1 H2O 2 164 26.077 24.290 23.762 0.00 0.00 -ATOM 2502 H2 H2O 2 164 26.851 23.046 23.040 0.00 0.00 -ATOM 2503 O1 H2O 3 165 7.425 26.992 21.519 0.00 0.00 -ATOM 2504 H1 H2O 3 165 6.513 26.865 21.909 0.00 0.00 -ATOM 2505 H2 H2O 3 165 7.403 27.737 20.853 0.00 0.00 -ATOM 2506 O1 H2O 4 166 10.611 19.754 19.837 0.00 0.00 -ATOM 2507 H1 H2O 4 166 10.539 19.094 19.090 0.00 0.00 -ATOM 2508 H2 H2O 4 166 11.464 20.269 19.746 0.00 0.00 -ATOM 2509 O1 H2O 5 167 21.548 25.362 20.200 0.00 0.00 -ATOM 2510 H1 H2O 5 167 20.979 26.093 19.824 0.00 0.00 -ATOM 2511 H2 H2O 5 167 22.426 25.343 19.722 0.00 0.00 -ATOM 2512 O1 H2O 6 168 14.979 19.086 21.410 0.00 0.00 -ATOM 2513 H1 H2O 6 168 14.821 19.677 22.201 0.00 0.00 -ATOM 2514 H2 H2O 6 168 14.919 18.128 21.692 0.00 0.00 -ATOM 2515 O1 H2O 7 169 29.234 22.816 22.520 0.00 0.00 -ATOM 2516 H1 H2O 7 169 28.441 23.214 22.981 0.00 0.00 -ATOM 2517 H2 H2O 7 169 29.304 21.846 22.754 0.00 0.00 -ATOM 2518 O1 H2O 8 170 3.287 23.338 19.836 0.00 0.00 -ATOM 2519 H1 H2O 8 170 3.448 23.910 19.031 0.00 0.00 -ATOM 2520 H2 H2O 8 170 2.388 23.549 20.221 0.00 0.00 -ATOM 2521 O1 H2O 9 171 10.925 16.106 19.840 0.00 0.00 -ATOM 2522 H1 H2O 9 171 10.287 15.339 19.910 0.00 0.00 -ATOM 2523 H2 H2O 9 171 10.988 16.569 20.724 0.00 0.00 -ATOM 2524 O1 H2O 0 172 19.879 1.731 20.183 0.00 0.00 -ATOM 2525 H1 H2O 0 172 19.050 1.481 19.682 0.00 0.00 -ATOM 2526 H2 H2O 0 172 19.715 1.640 21.165 0.00 0.00 -ATOM 2527 O1 H2O 1 173 24.470 25.208 20.135 0.00 0.00 -ATOM 2528 H1 H2O 1 173 24.802 25.260 21.077 0.00 0.00 -ATOM 2529 H2 H2O 1 173 24.193 26.118 19.828 0.00 0.00 -ATOM 2530 O1 H2O 2 174 24.506 24.909 23.599 0.00 0.00 -ATOM 2531 H1 H2O 2 174 23.987 24.075 23.410 0.00 0.00 -ATOM 2532 H2 H2O 2 174 23.890 25.696 23.584 0.00 0.00 -ATOM 2533 O1 H2O 3 175 17.522 8.685 23.797 0.00 0.00 -ATOM 2534 H1 H2O 3 175 16.884 9.036 24.482 0.00 0.00 -ATOM 2535 H2 H2O 3 175 18.268 9.338 23.669 0.00 0.00 -ATOM 2536 O1 H2O 4 176 3.201 16.409 23.522 0.00 0.00 -ATOM 2537 H1 H2O 4 176 3.971 16.268 24.145 0.00 0.00 -ATOM 2538 H2 H2O 4 176 3.402 15.981 22.641 0.00 0.00 -ATOM 2539 O1 H2O 5 177 3.384 12.871 19.738 0.00 0.00 -ATOM 2540 H1 H2O 5 177 2.683 12.176 19.896 0.00 0.00 -ATOM 2541 H2 H2O 5 177 3.029 13.768 19.998 0.00 0.00 -ATOM 2542 O1 H2O 6 178 10.962 5.177 20.737 0.00 0.00 -ATOM 2543 H1 H2O 6 178 11.671 4.635 20.288 0.00 0.00 -ATOM 2544 H2 H2O 6 178 11.140 5.210 21.721 0.00 0.00 -ATOM 2545 O1 H2O 7 179 26.469 26.378 22.090 0.00 0.00 -ATOM 2546 H1 H2O 7 179 25.857 26.916 22.670 0.00 0.00 -ATOM 2547 H2 H2O 7 179 27.385 26.368 22.491 0.00 0.00 -ATOM 2548 O1 H2O 8 180 15.184 26.467 23.563 0.00 0.00 -ATOM 2549 H1 H2O 8 180 14.186 26.536 23.539 0.00 0.00 -ATOM 2550 H2 H2O 8 180 15.466 25.579 23.200 0.00 0.00 -ATOM 2551 O1 H2O 9 181 19.253 1.282 23.014 0.00 0.00 -ATOM 2552 H1 H2O 9 181 18.731 0.447 23.187 0.00 0.00 -ATOM 2553 H2 H2O 9 181 20.163 1.197 23.420 0.00 0.00 -ATOM 2554 O1 H2O 0 182 1.458 1.618 21.800 0.00 0.00 -ATOM 2555 H1 H2O 0 182 1.656 1.778 22.767 0.00 0.00 -ATOM 2556 H2 H2O 0 182 1.180 2.477 21.370 0.00 0.00 -ATOM 2557 O1 H2O 1 183 5.117 5.319 20.151 0.00 0.00 -ATOM 2558 H1 H2O 1 183 6.035 4.933 20.057 0.00 0.00 -ATOM 2559 H2 H2O 1 183 4.450 4.699 19.737 0.00 0.00 -ATOM 2560 O1 H2O 2 184 20.718 27.997 22.675 0.00 0.00 -ATOM 2561 H1 H2O 2 184 19.881 28.372 23.074 0.00 0.00 -ATOM 2562 H2 H2O 2 184 20.620 27.949 21.681 0.00 0.00 -ATOM 2563 O1 H2O 3 185 5.948 3.949 23.492 0.00 0.00 -ATOM 2564 H1 H2O 3 185 5.010 4.293 23.436 0.00 0.00 -ATOM 2565 H2 H2O 3 185 5.933 2.952 23.563 0.00 0.00 -ATOM 2566 O1 H2O 4 186 7.260 13.866 22.666 0.00 0.00 -ATOM 2567 H1 H2O 4 186 8.162 13.597 23.004 0.00 0.00 -ATOM 2568 H2 H2O 4 186 6.621 13.106 22.781 0.00 0.00 -ATOM 2569 O1 H2O 5 187 22.476 0.807 20.004 0.00 0.00 -ATOM 2570 H1 H2O 5 187 21.642 1.360 20.007 0.00 0.00 -ATOM 2571 H2 H2O 5 187 23.267 1.397 20.162 0.00 0.00 -ATOM 2572 O1 H2O 6 188 10.018 28.157 20.916 0.00 0.00 -ATOM 2573 H1 H2O 6 188 9.281 27.976 20.265 0.00 0.00 -ATOM 2574 H2 H2O 6 188 10.549 27.322 21.059 0.00 0.00 -ATOM 2575 O1 H2O 7 189 22.529 14.460 23.242 0.00 0.00 -ATOM 2576 H1 H2O 7 189 23.216 13.823 23.592 0.00 0.00 -ATOM 2577 H2 H2O 7 189 22.888 15.393 23.283 0.00 0.00 -ATOM 2578 O1 H2O 8 190 5.515 26.754 23.497 0.00 0.00 -ATOM 2579 H1 H2O 8 190 4.565 26.520 23.289 0.00 0.00 -ATOM 2580 H2 H2O 8 190 5.687 26.610 24.472 0.00 0.00 -ATOM 2581 O1 H2O 9 191 16.109 10.177 22.055 0.00 0.00 -ATOM 2582 H1 H2O 9 191 16.707 9.621 22.632 0.00 0.00 -ATOM 2583 H2 H2O 9 191 16.279 11.146 22.234 0.00 0.00 -ATOM 2584 O1 H2O 0 192 11.603 0.398 20.032 0.00 0.00 -ATOM 2585 H1 H2O 0 192 11.111 1.246 20.228 0.00 0.00 -ATOM 2586 H2 H2O 0 192 11.108 -0.375 20.430 0.00 0.00 -ATOM 2587 O1 H2O 1 193 25.737 21.935 22.258 0.00 0.00 -ATOM 2588 H1 H2O 1 193 26.068 21.972 21.315 0.00 0.00 -ATOM 2589 H2 H2O 1 193 24.754 21.755 22.259 0.00 0.00 -ATOM 2590 O1 H2O 2 194 14.077 8.429 20.503 0.00 0.00 -ATOM 2591 H1 H2O 2 194 14.883 7.899 20.240 0.00 0.00 -ATOM 2592 H2 H2O 2 194 14.263 9.403 20.377 0.00 0.00 -ATOM 2593 O1 H2O 3 195 6.900 19.965 23.298 0.00 0.00 -ATOM 2594 H1 H2O 3 195 7.046 19.905 24.286 0.00 0.00 -ATOM 2595 H2 H2O 3 195 6.006 19.580 23.070 0.00 0.00 -ATOM 2596 O1 H2O 4 196 21.848 4.326 22.641 0.00 0.00 -ATOM 2597 H1 H2O 4 196 21.963 4.782 21.758 0.00 0.00 -ATOM 2598 H2 H2O 4 196 22.627 3.721 22.806 0.00 0.00 -ATOM 2599 O1 H2O 5 197 22.099 5.223 19.601 0.00 0.00 -ATOM 2600 H1 H2O 5 197 22.743 4.551 19.234 0.00 0.00 -ATOM 2601 H2 H2O 5 197 21.253 4.763 19.870 0.00 0.00 -ATOM 2602 O1 H2O 6 198 19.390 16.713 19.794 0.00 0.00 -ATOM 2603 H1 H2O 6 198 19.056 16.450 18.889 0.00 0.00 -ATOM 2604 H2 H2O 6 198 19.568 17.697 19.810 0.00 0.00 -ATOM 2605 O1 H2O 7 199 26.105 28.529 23.754 0.00 0.00 -ATOM 2606 H1 H2O 7 199 26.872 28.862 23.206 0.00 0.00 -ATOM 2607 H2 H2O 7 199 26.406 28.389 24.697 0.00 0.00 -ATOM 2608 O1 H2O 8 200 7.814 0.761 23.933 0.00 0.00 -ATOM 2609 H1 H2O 8 200 8.596 1.291 24.261 0.00 0.00 -ATOM 2610 H2 H2O 8 200 7.934 -0.200 24.183 0.00 0.00 -ATOM 2611 O1 H2O 9 201 17.038 3.043 19.919 0.00 0.00 -ATOM 2612 H1 H2O 9 201 16.526 2.803 19.094 0.00 0.00 -ATOM 2613 H2 H2O 9 201 17.830 3.600 19.669 0.00 0.00 -ATOM 2614 O1 H2O 0 202 17.427 19.908 19.924 0.00 0.00 -ATOM 2615 H1 H2O 0 202 16.874 19.928 19.092 0.00 0.00 -ATOM 2616 H2 H2O 0 202 16.860 19.619 20.695 0.00 0.00 -ATOM 2617 O1 H2O 1 203 15.313 16.206 20.649 0.00 0.00 -ATOM 2618 H1 H2O 1 203 15.123 17.092 20.225 0.00 0.00 -ATOM 2619 H2 H2O 1 203 14.540 15.591 20.496 0.00 0.00 -ATOM 2620 O1 H2O 2 204 11.105 10.422 20.551 0.00 0.00 -ATOM 2621 H1 H2O 2 204 11.915 10.966 20.332 0.00 0.00 -ATOM 2622 H2 H2O 2 204 11.292 9.457 20.370 0.00 0.00 -ATOM 2623 O1 h2o 1 205 13.273 20.922 19.781 0.00 0.00 -ATOM 2624 H1 h2o 1 205 13.767 21.791 19.757 0.00 0.00 -ATOM 2625 H2 h2o 1 205 13.638 20.351 20.516 0.00 0.00 -ATOM 2626 O1 h2o 2 206 26.954 12.966 20.631 0.00 0.00 -ATOM 2627 H1 h2o 2 206 27.542 12.166 20.518 0.00 0.00 -ATOM 2628 H2 h2o 2 206 27.286 13.709 20.050 0.00 0.00 -ATOM 2629 O1 h2o 3 207 1.311 6.367 23.216 0.00 0.00 -ATOM 2630 H1 h2o 3 207 1.131 7.309 23.500 0.00 0.00 -ATOM 2631 H2 h2o 3 207 1.718 6.367 22.302 0.00 0.00 -ATOM 2632 O1 h2o 4 208 0.912 29.253 23.845 0.00 0.00 -ATOM 2633 H1 h2o 4 208 0.673 29.220 24.816 0.00 0.00 -ATOM 2634 H2 h2o 4 208 0.077 29.227 23.295 0.00 0.00 -ATOM 2635 O1 h2o 5 209 29.045 11.271 19.493 0.00 0.00 -ATOM 2636 H1 h2o 5 209 28.501 11.486 18.682 0.00 0.00 -ATOM 2637 H2 h2o 5 209 28.857 10.332 19.782 0.00 0.00 -END -REMARK GOMC 5 4000000 -CRYST1 29.472 29.777 26.750 90.00 90.00 90.00 P 1 1 -ATOM 1 C1 TOP 1 1 15.350 15.597 10.050 0.00 1.00 -ATOM 2 C2 TOP 1 1 15.350 15.597 13.400 0.00 1.00 -ATOM 3 C3 TOP 1 1 15.350 15.597 16.750 0.00 1.00 -ATOM 4 C4 TOP 1 1 14.122 17.724 10.050 0.00 1.00 -ATOM 5 C5 TOP 1 1 14.122 17.724 13.400 0.00 1.00 -ATOM 6 C6 TOP 1 1 14.122 17.724 16.750 0.00 1.00 -ATOM 7 C7 TOP 1 1 12.894 19.851 10.050 0.00 1.00 -ATOM 8 C8 TOP 1 1 12.894 19.851 13.400 0.00 1.00 -ATOM 9 C9 TOP 1 1 12.894 19.851 16.750 0.00 1.00 -ATOM 10 CA TOP 1 1 11.666 21.978 10.050 0.00 1.00 -ATOM 11 CB TOP 1 1 11.666 21.978 13.400 0.00 1.00 -ATOM 12 CC TOP 1 1 11.666 21.978 16.750 0.00 1.00 -ATOM 13 CD TOP 1 1 10.438 24.105 10.050 0.00 1.00 -ATOM 14 CE TOP 1 1 10.438 24.105 13.400 0.00 1.00 -ATOM 15 CF TOP 1 1 10.438 24.105 16.750 0.00 1.00 -ATOM 16 CG TOP 1 1 9.210 26.232 10.050 0.00 1.00 -ATOM 17 CH TOP 1 1 9.210 26.232 13.400 0.00 1.00 -ATOM 18 CI TOP 1 1 9.210 26.232 16.750 0.00 1.00 -ATOM 19 CJ TOP 1 1 7.982 28.359 10.050 0.00 1.00 -ATOM 20 CK TOP 1 1 7.982 28.359 13.400 0.00 1.00 -ATOM 21 CL TOP 1 1 7.982 28.359 16.750 0.00 1.00 -ATOM 22 CM TOP 1 1 6.754 0.709 10.050 0.00 1.00 -ATOM 23 CN TOP 1 1 6.754 0.709 13.400 0.00 1.00 -ATOM 24 CO TOP 1 1 6.754 0.709 16.750 0.00 1.00 -ATOM 25 CP TOP 1 1 5.526 2.836 10.050 0.00 1.00 -ATOM 26 CQ TOP 1 1 5.526 2.836 13.400 0.00 1.00 -ATOM 27 CR TOP 1 1 5.526 2.836 16.750 0.00 1.00 -ATOM 28 CS TOP 1 1 4.298 4.963 10.050 0.00 1.00 -ATOM 29 CT TOP 1 1 4.298 4.963 13.400 0.00 1.00 -ATOM 30 CU TOP 1 1 4.298 4.963 16.750 0.00 1.00 -ATOM 31 CV TOP 1 1 3.070 7.090 10.050 0.00 1.00 -ATOM 32 CW TOP 1 1 3.070 7.090 13.400 0.00 1.00 -ATOM 33 CX TOP 1 1 3.070 7.090 16.750 0.00 1.00 -ATOM 34 CY TOP 1 1 1.842 9.217 10.050 0.00 1.00 -ATOM 35 CZ TOP 1 1 1.842 9.217 13.400 0.00 1.00 -ATOM 36 Ca TOP 1 1 1.842 9.217 16.750 0.00 1.00 -ATOM 37 Cb TOP 1 1 0.614 11.344 10.050 0.00 1.00 -ATOM 38 Cc TOP 1 1 0.614 11.344 13.400 0.00 1.00 -ATOM 39 Cd TOP 1 1 0.614 11.344 16.750 0.00 1.00 -ATOM 40 Ce TOP 1 1 28.858 13.471 10.050 0.00 1.00 -ATOM 41 Cf TOP 1 1 28.858 13.471 13.400 0.00 1.00 -ATOM 42 Cg TOP 1 1 28.858 13.471 16.750 0.00 1.00 -ATOM 43 Ch TOP 1 1 17.806 15.597 10.050 0.00 1.00 -ATOM 44 Ci TOP 1 1 17.806 15.597 13.400 0.00 1.00 -ATOM 45 Cj TOP 1 1 17.806 15.597 16.750 0.00 1.00 -ATOM 46 Ck TOP 1 1 16.578 17.724 10.050 0.00 1.00 -ATOM 47 Cl TOP 1 1 16.578 17.724 13.400 0.00 1.00 -ATOM 48 Cm TOP 1 1 16.578 17.724 16.750 0.00 1.00 -ATOM 49 Cn TOP 1 1 15.350 19.851 10.050 0.00 1.00 -ATOM 50 Co TOP 1 1 15.350 19.851 13.400 0.00 1.00 -ATOM 51 Cp TOP 1 1 15.350 19.851 16.750 0.00 1.00 -ATOM 52 Cq TOP 1 1 14.122 21.978 10.050 0.00 1.00 -ATOM 53 Cr TOP 1 1 14.122 21.978 13.400 0.00 1.00 -ATOM 54 Cs TOP 1 1 14.122 21.978 16.750 0.00 1.00 -ATOM 55 Ct TOP 1 1 12.894 24.105 10.050 0.00 1.00 -ATOM 56 Cu TOP 1 1 12.894 24.105 13.400 0.00 1.00 -ATOM 57 Cv TOP 1 1 12.894 24.105 16.750 0.00 1.00 -ATOM 58 Cw TOP 1 1 11.666 26.232 10.050 0.00 1.00 -ATOM 59 Cx TOP 1 1 11.666 26.232 13.400 0.00 1.00 -ATOM 60 Cy TOP 1 1 11.666 26.232 16.750 0.00 1.00 -ATOM 61 Cz TOP 1 1 10.438 28.359 10.050 0.00 1.00 -ATOM 62 C10 TOP 1 1 10.438 28.359 13.400 0.00 1.00 -ATOM 63 C11 TOP 1 1 10.438 28.359 16.750 0.00 1.00 -ATOM 64 C12 TOP 1 1 9.210 0.709 10.050 0.00 1.00 -ATOM 65 C13 TOP 1 1 9.210 0.709 13.400 0.00 1.00 -ATOM 66 C14 TOP 1 1 9.210 0.709 16.750 0.00 1.00 -ATOM 67 C15 TOP 1 1 7.982 2.836 10.050 0.00 1.00 -ATOM 68 C16 TOP 1 1 7.982 2.836 13.400 0.00 1.00 -ATOM 69 C17 TOP 1 1 7.982 2.836 16.750 0.00 1.00 -ATOM 70 C18 TOP 1 1 6.754 4.963 10.050 0.00 1.00 -ATOM 71 C19 TOP 1 1 6.754 4.963 13.400 0.00 1.00 -ATOM 72 C1A TOP 1 1 6.754 4.963 16.750 0.00 1.00 -ATOM 73 C1B TOP 1 1 5.526 7.090 10.050 0.00 1.00 -ATOM 74 C1C TOP 1 1 5.526 7.090 13.400 0.00 1.00 -ATOM 75 C1D TOP 1 1 5.526 7.090 16.750 0.00 1.00 -ATOM 76 C1E TOP 1 1 4.298 9.217 10.050 0.00 1.00 -ATOM 77 C1F TOP 1 1 4.298 9.217 13.400 0.00 1.00 -ATOM 78 C1G TOP 1 1 4.298 9.217 16.750 0.00 1.00 -ATOM 79 C1H TOP 1 1 3.070 11.344 10.050 0.00 1.00 -ATOM 80 C1I TOP 1 1 3.070 11.344 13.400 0.00 1.00 -ATOM 81 C1J TOP 1 1 3.070 11.344 16.750 0.00 1.00 -ATOM 82 C1K TOP 1 1 1.842 13.471 10.050 0.00 1.00 -ATOM 83 C1L TOP 1 1 1.842 13.471 13.400 0.00 1.00 -ATOM 84 C1M TOP 1 1 1.842 13.471 16.750 0.00 1.00 -ATOM 85 C1N TOP 1 1 20.262 15.597 10.050 0.00 1.00 -ATOM 86 C1O TOP 1 1 20.262 15.597 13.400 0.00 1.00 -ATOM 87 C1P TOP 1 1 20.262 15.597 16.750 0.00 1.00 -ATOM 88 C1Q TOP 1 1 19.034 17.724 10.050 0.00 1.00 -ATOM 89 C1R TOP 1 1 19.034 17.724 13.400 0.00 1.00 -ATOM 90 C1S TOP 1 1 19.034 17.724 16.750 0.00 1.00 -ATOM 91 C1T TOP 1 1 17.806 19.851 10.050 0.00 1.00 -ATOM 92 C1U TOP 1 1 17.806 19.851 13.400 0.00 1.00 -ATOM 93 C1V TOP 1 1 17.806 19.851 16.750 0.00 1.00 -ATOM 94 C1W TOP 1 1 16.578 21.978 10.050 0.00 1.00 -ATOM 95 C1X TOP 1 1 16.578 21.978 13.400 0.00 1.00 -ATOM 96 C1Y TOP 1 1 16.578 21.978 16.750 0.00 1.00 -ATOM 97 C1Z TOP 1 1 15.350 24.105 10.050 0.00 1.00 -ATOM 98 C1a TOP 1 1 15.350 24.105 13.400 0.00 1.00 -ATOM 99 C1b TOP 1 1 15.350 24.105 16.750 0.00 1.00 -ATOM 100 C1c TOP 1 1 14.122 26.232 10.050 0.00 1.00 -ATOM 101 C1d TOP 1 1 14.122 26.232 13.400 0.00 1.00 -ATOM 102 C1e TOP 1 1 14.122 26.232 16.750 0.00 1.00 -ATOM 103 C1f TOP 1 1 12.894 28.359 10.050 0.00 1.00 -ATOM 104 C1g TOP 1 1 12.894 28.359 13.400 0.00 1.00 -ATOM 105 C1h TOP 1 1 12.894 28.359 16.750 0.00 1.00 -ATOM 106 C1i TOP 1 1 11.666 0.709 10.050 0.00 1.00 -ATOM 107 C1j TOP 1 1 11.666 0.709 13.400 0.00 1.00 -ATOM 108 C1k TOP 1 1 11.666 0.709 16.750 0.00 1.00 -ATOM 109 C1l TOP 1 1 10.438 2.836 10.050 0.00 1.00 -ATOM 110 C1m TOP 1 1 10.438 2.836 13.400 0.00 1.00 -ATOM 111 C1n TOP 1 1 10.438 2.836 16.750 0.00 1.00 -ATOM 112 C1o TOP 1 1 9.210 4.963 10.050 0.00 1.00 -ATOM 113 C1p TOP 1 1 9.210 4.963 13.400 0.00 1.00 -ATOM 114 C1q TOP 1 1 9.210 4.963 16.750 0.00 1.00 -ATOM 115 C1r TOP 1 1 7.982 7.090 10.050 0.00 1.00 -ATOM 116 C1s TOP 1 1 7.982 7.090 13.400 0.00 1.00 -ATOM 117 C1t TOP 1 1 7.982 7.090 16.750 0.00 1.00 -ATOM 118 C1u TOP 1 1 6.754 9.217 10.050 0.00 1.00 -ATOM 119 C1v TOP 1 1 6.754 9.217 13.400 0.00 1.00 -ATOM 120 C1w TOP 1 1 6.754 9.217 16.750 0.00 1.00 -ATOM 121 C1x TOP 1 1 5.526 11.344 10.050 0.00 1.00 -ATOM 122 C1y TOP 1 1 5.526 11.344 13.400 0.00 1.00 -ATOM 123 C1z TOP 1 1 5.526 11.344 16.750 0.00 1.00 -ATOM 124 C20 TOP 1 1 4.298 13.471 10.050 0.00 1.00 -ATOM 125 C21 TOP 1 1 4.298 13.471 13.400 0.00 1.00 -ATOM 126 C22 TOP 1 1 4.298 13.471 16.750 0.00 1.00 -ATOM 127 C23 TOP 1 1 22.718 15.597 10.050 0.00 1.00 -ATOM 128 C24 TOP 1 1 22.718 15.597 13.400 0.00 1.00 -ATOM 129 C25 TOP 1 1 22.718 15.597 16.750 0.00 1.00 -ATOM 130 C26 TOP 1 1 21.490 17.724 10.050 0.00 1.00 -ATOM 131 C27 TOP 1 1 21.490 17.724 13.400 0.00 1.00 -ATOM 132 C28 TOP 1 1 21.490 17.724 16.750 0.00 1.00 -ATOM 133 C29 TOP 1 1 20.262 19.851 10.050 0.00 1.00 -ATOM 134 C2A TOP 1 1 20.262 19.851 13.400 0.00 1.00 -ATOM 135 C2B TOP 1 1 20.262 19.851 16.750 0.00 1.00 -ATOM 136 C2C TOP 1 1 19.034 21.978 10.050 0.00 1.00 -ATOM 137 C2D TOP 1 1 19.034 21.978 13.400 0.00 1.00 -ATOM 138 C2E TOP 1 1 19.034 21.978 16.750 0.00 1.00 -ATOM 139 C2F TOP 1 1 17.806 24.105 10.050 0.00 1.00 -ATOM 140 C2G TOP 1 1 17.806 24.105 13.400 0.00 1.00 -ATOM 141 C2H TOP 1 1 17.806 24.105 16.750 0.00 1.00 -ATOM 142 C2I TOP 1 1 16.578 26.232 10.050 0.00 1.00 -ATOM 143 C2J TOP 1 1 16.578 26.232 13.400 0.00 1.00 -ATOM 144 C2K TOP 1 1 16.578 26.232 16.750 0.00 1.00 -ATOM 145 C2L TOP 1 1 15.350 28.359 10.050 0.00 1.00 -ATOM 146 C2M TOP 1 1 15.350 28.359 13.400 0.00 1.00 -ATOM 147 C2N TOP 1 1 15.350 28.359 16.750 0.00 1.00 -ATOM 148 C2O TOP 1 1 14.122 0.709 10.050 0.00 1.00 -ATOM 149 C2P TOP 1 1 14.122 0.709 13.400 0.00 1.00 -ATOM 150 C2Q TOP 1 1 14.122 0.709 16.750 0.00 1.00 -ATOM 151 C2R TOP 1 1 12.894 2.836 10.050 0.00 1.00 -ATOM 152 C2S TOP 1 1 12.894 2.836 13.400 0.00 1.00 -ATOM 153 C2T TOP 1 1 12.894 2.836 16.750 0.00 1.00 -ATOM 154 C2U TOP 1 1 11.666 4.963 10.050 0.00 1.00 -ATOM 155 C2V TOP 1 1 11.666 4.963 13.400 0.00 1.00 -ATOM 156 C2W TOP 1 1 11.666 4.963 16.750 0.00 1.00 -ATOM 157 C2X TOP 1 1 10.438 7.090 10.050 0.00 1.00 -ATOM 158 C2Y TOP 1 1 10.438 7.090 13.400 0.00 1.00 -ATOM 159 C2Z TOP 1 1 10.438 7.090 16.750 0.00 1.00 -ATOM 160 C2a TOP 1 1 9.210 9.217 10.050 0.00 1.00 -ATOM 161 C2b TOP 1 1 9.210 9.217 13.400 0.00 1.00 -ATOM 162 C2c TOP 1 1 9.210 9.217 16.750 0.00 1.00 -ATOM 163 C2d TOP 1 1 7.982 11.344 10.050 0.00 1.00 -ATOM 164 C2e TOP 1 1 7.982 11.344 13.400 0.00 1.00 -ATOM 165 C2f TOP 1 1 7.982 11.344 16.750 0.00 1.00 -ATOM 166 C2g TOP 1 1 6.754 13.471 10.050 0.00 1.00 -ATOM 167 C2h TOP 1 1 6.754 13.471 13.400 0.00 1.00 -ATOM 168 C2i TOP 1 1 6.754 13.471 16.750 0.00 1.00 -ATOM 169 C2j TOP 1 1 25.174 15.597 10.050 0.00 1.00 -ATOM 170 C2k TOP 1 1 25.174 15.597 13.400 0.00 1.00 -ATOM 171 C2l TOP 1 1 25.174 15.597 16.750 0.00 1.00 -ATOM 172 C2m TOP 1 1 23.946 17.724 10.050 0.00 1.00 -ATOM 173 C2n TOP 1 1 23.946 17.724 13.400 0.00 1.00 -ATOM 174 C2o TOP 1 1 23.946 17.724 16.750 0.00 1.00 -ATOM 175 C2p TOP 1 1 22.718 19.851 10.050 0.00 1.00 -ATOM 176 C2q TOP 1 1 22.718 19.851 13.400 0.00 1.00 -ATOM 177 C2r TOP 1 1 22.718 19.851 16.750 0.00 1.00 -ATOM 178 C2s TOP 1 1 21.490 21.978 10.050 0.00 1.00 -ATOM 179 C2t TOP 1 1 21.490 21.978 13.400 0.00 1.00 -ATOM 180 C2u TOP 1 1 21.490 21.978 16.750 0.00 1.00 -ATOM 181 C2v TOP 1 1 20.262 24.105 10.050 0.00 1.00 -ATOM 182 C2w TOP 1 1 20.262 24.105 13.400 0.00 1.00 -ATOM 183 C2x TOP 1 1 20.262 24.105 16.750 0.00 1.00 -ATOM 184 C2y TOP 1 1 19.034 26.232 10.050 0.00 1.00 -ATOM 185 C2z TOP 1 1 19.034 26.232 13.400 0.00 1.00 -ATOM 186 C30 TOP 1 1 19.034 26.232 16.750 0.00 1.00 -ATOM 187 C31 TOP 1 1 17.806 28.359 10.050 0.00 1.00 -ATOM 188 C32 TOP 1 1 17.806 28.359 13.400 0.00 1.00 -ATOM 189 C33 TOP 1 1 17.806 28.359 16.750 0.00 1.00 -ATOM 190 C34 TOP 1 1 16.578 0.709 10.050 0.00 1.00 -ATOM 191 C35 TOP 1 1 16.578 0.709 13.400 0.00 1.00 -ATOM 192 C36 TOP 1 1 16.578 0.709 16.750 0.00 1.00 -ATOM 193 C37 TOP 1 1 15.350 2.836 10.050 0.00 1.00 -ATOM 194 C38 TOP 1 1 15.350 2.836 13.400 0.00 1.00 -ATOM 195 C39 TOP 1 1 15.350 2.836 16.750 0.00 1.00 -ATOM 196 C3A TOP 1 1 14.122 4.963 10.050 0.00 1.00 -ATOM 197 C3B TOP 1 1 14.122 4.963 13.400 0.00 1.00 -ATOM 198 C3C TOP 1 1 14.122 4.963 16.750 0.00 1.00 -ATOM 199 C3D TOP 1 1 12.894 7.090 10.050 0.00 1.00 -ATOM 200 C3E TOP 1 1 12.894 7.090 13.400 0.00 1.00 -ATOM 201 C3F TOP 1 1 12.894 7.090 16.750 0.00 1.00 -ATOM 202 C3G TOP 1 1 11.666 9.217 10.050 0.00 1.00 -ATOM 203 C3H TOP 1 1 11.666 9.217 13.400 0.00 1.00 -ATOM 204 C3I TOP 1 1 11.666 9.217 16.750 0.00 1.00 -ATOM 205 C3J TOP 1 1 10.438 11.344 10.050 0.00 1.00 -ATOM 206 C3K TOP 1 1 10.438 11.344 13.400 0.00 1.00 -ATOM 207 C3L TOP 1 1 10.438 11.344 16.750 0.00 1.00 -ATOM 208 C3M TOP 1 1 9.210 13.471 10.050 0.00 1.00 -ATOM 209 C3N TOP 1 1 9.210 13.471 13.400 0.00 1.00 -ATOM 210 C3O TOP 1 1 9.210 13.471 16.750 0.00 1.00 -ATOM 211 C3P TOP 1 1 27.630 15.597 10.050 0.00 1.00 -ATOM 212 C3Q TOP 1 1 27.630 15.597 13.400 0.00 1.00 -ATOM 213 C3R TOP 1 1 27.630 15.597 16.750 0.00 1.00 -ATOM 214 C3S TOP 1 1 26.402 17.724 10.050 0.00 1.00 -ATOM 215 C3T TOP 1 1 26.402 17.724 13.400 0.00 1.00 -ATOM 216 C3U TOP 1 1 26.402 17.724 16.750 0.00 1.00 -ATOM 217 C3V TOP 1 1 25.174 19.851 10.050 0.00 1.00 -ATOM 218 C3W TOP 1 1 25.174 19.851 13.400 0.00 1.00 -ATOM 219 C3X TOP 1 1 25.174 19.851 16.750 0.00 1.00 -ATOM 220 C3Y TOP 1 1 23.946 21.978 10.050 0.00 1.00 -ATOM 221 C3Z TOP 1 1 23.946 21.978 13.400 0.00 1.00 -ATOM 222 C3a TOP 1 1 23.946 21.978 16.750 0.00 1.00 -ATOM 223 C3b TOP 1 1 22.718 24.105 10.050 0.00 1.00 -ATOM 224 C3c TOP 1 1 22.718 24.105 13.400 0.00 1.00 -ATOM 225 C3d TOP 1 1 22.718 24.105 16.750 0.00 1.00 -ATOM 226 C3e TOP 1 1 21.490 26.232 10.050 0.00 1.00 -ATOM 227 C3f TOP 1 1 21.490 26.232 13.400 0.00 1.00 -ATOM 228 C3g TOP 1 1 21.490 26.232 16.750 0.00 1.00 -ATOM 229 C3h TOP 1 1 20.262 28.359 10.050 0.00 1.00 -ATOM 230 C3i TOP 1 1 20.262 28.359 13.400 0.00 1.00 -ATOM 231 C3j TOP 1 1 20.262 28.359 16.750 0.00 1.00 -ATOM 232 C3k TOP 1 1 19.034 0.709 10.050 0.00 1.00 -ATOM 233 C3l TOP 1 1 19.034 0.709 13.400 0.00 1.00 -ATOM 234 C3m TOP 1 1 19.034 0.709 16.750 0.00 1.00 -ATOM 235 C3n TOP 1 1 17.806 2.836 10.050 0.00 1.00 -ATOM 236 C3o TOP 1 1 17.806 2.836 13.400 0.00 1.00 -ATOM 237 C3p TOP 1 1 17.806 2.836 16.750 0.00 1.00 -ATOM 238 C3q TOP 1 1 16.578 4.963 10.050 0.00 1.00 -ATOM 239 C3r TOP 1 1 16.578 4.963 13.400 0.00 1.00 -ATOM 240 C3s TOP 1 1 16.578 4.963 16.750 0.00 1.00 -ATOM 241 C3t TOP 1 1 15.350 7.090 10.050 0.00 1.00 -ATOM 242 C3u TOP 1 1 15.350 7.090 13.400 0.00 1.00 -ATOM 243 C3v TOP 1 1 15.350 7.090 16.750 0.00 1.00 -ATOM 244 C3w TOP 1 1 14.122 9.217 10.050 0.00 1.00 -ATOM 245 C3x TOP 1 1 14.122 9.217 13.400 0.00 1.00 -ATOM 246 C3y TOP 1 1 14.122 9.217 16.750 0.00 1.00 -ATOM 247 C3z TOP 1 1 12.894 11.344 10.050 0.00 1.00 -ATOM 248 C40 TOP 1 1 12.894 11.344 13.400 0.00 1.00 -ATOM 249 C41 TOP 1 1 12.894 11.344 16.750 0.00 1.00 -ATOM 250 C42 TOP 1 1 11.666 13.471 10.050 0.00 1.00 -ATOM 251 C43 TOP 1 1 11.666 13.471 13.400 0.00 1.00 -ATOM 252 C44 TOP 1 1 11.666 13.471 16.750 0.00 1.00 -ATOM 253 C45 TOP 1 1 0.614 15.597 10.050 0.00 1.00 -ATOM 254 C46 TOP 1 1 0.614 15.597 13.400 0.00 1.00 -ATOM 255 C47 TOP 1 1 0.614 15.597 16.750 0.00 1.00 -ATOM 256 C48 TOP 1 1 28.858 17.724 10.050 0.00 1.00 -ATOM 257 C49 TOP 1 1 28.858 17.724 13.400 0.00 1.00 -ATOM 258 C4A TOP 1 1 28.858 17.724 16.750 0.00 1.00 -ATOM 259 C4B TOP 1 1 27.630 19.851 10.050 0.00 1.00 -ATOM 260 C4C TOP 1 1 27.630 19.851 13.400 0.00 1.00 -ATOM 261 C4D TOP 1 1 27.630 19.851 16.750 0.00 1.00 -ATOM 262 C4E TOP 1 1 26.402 21.978 10.050 0.00 1.00 -ATOM 263 C4F TOP 1 1 26.402 21.978 13.400 0.00 1.00 -ATOM 264 C4G TOP 1 1 26.402 21.978 16.750 0.00 1.00 -ATOM 265 C4H TOP 1 1 25.174 24.105 10.050 0.00 1.00 -ATOM 266 C4I TOP 1 1 25.174 24.105 13.400 0.00 1.00 -ATOM 267 C4J TOP 1 1 25.174 24.105 16.750 0.00 1.00 -ATOM 268 C4K TOP 1 1 23.946 26.232 10.050 0.00 1.00 -ATOM 269 C4L TOP 1 1 23.946 26.232 13.400 0.00 1.00 -ATOM 270 C4M TOP 1 1 23.946 26.232 16.750 0.00 1.00 -ATOM 271 C4N TOP 1 1 22.718 28.359 10.050 0.00 1.00 -ATOM 272 C4O TOP 1 1 22.718 28.359 13.400 0.00 1.00 -ATOM 273 C4P TOP 1 1 22.718 28.359 16.750 0.00 1.00 -ATOM 274 C4Q TOP 1 1 21.490 0.709 10.050 0.00 1.00 -ATOM 275 C4R TOP 1 1 21.490 0.709 13.400 0.00 1.00 -ATOM 276 C4S TOP 1 1 21.490 0.709 16.750 0.00 1.00 -ATOM 277 C4T TOP 1 1 20.262 2.836 10.050 0.00 1.00 -ATOM 278 C4U TOP 1 1 20.262 2.836 13.400 0.00 1.00 -ATOM 279 C4V TOP 1 1 20.262 2.836 16.750 0.00 1.00 -ATOM 280 C4W TOP 1 1 19.034 4.963 10.050 0.00 1.00 -ATOM 281 C4X TOP 1 1 19.034 4.963 13.400 0.00 1.00 -ATOM 282 C4Y TOP 1 1 19.034 4.963 16.750 0.00 1.00 -ATOM 283 C4Z TOP 1 1 17.806 7.090 10.050 0.00 1.00 -ATOM 284 C4a TOP 1 1 17.806 7.090 13.400 0.00 1.00 -ATOM 285 C4b TOP 1 1 17.806 7.090 16.750 0.00 1.00 -ATOM 286 C4c TOP 1 1 16.578 9.217 10.050 0.00 1.00 -ATOM 287 C4d TOP 1 1 16.578 9.217 13.400 0.00 1.00 -ATOM 288 C4e TOP 1 1 16.578 9.217 16.750 0.00 1.00 -ATOM 289 C4f TOP 1 1 15.350 11.344 10.050 0.00 1.00 -ATOM 290 C4g TOP 1 1 15.350 11.344 13.400 0.00 1.00 -ATOM 291 C4h TOP 1 1 15.350 11.344 16.750 0.00 1.00 -ATOM 292 C4i TOP 1 1 14.122 13.471 10.050 0.00 1.00 -ATOM 293 C4j TOP 1 1 14.122 13.471 13.400 0.00 1.00 -ATOM 294 C4k TOP 1 1 14.122 13.471 16.750 0.00 1.00 -ATOM 295 C4l TOP 1 1 3.070 15.597 10.050 0.00 1.00 -ATOM 296 C4m TOP 1 1 3.070 15.597 13.400 0.00 1.00 -ATOM 297 C4n TOP 1 1 3.070 15.597 16.750 0.00 1.00 -ATOM 298 C4o TOP 1 1 1.842 17.724 10.050 0.00 1.00 -ATOM 299 C4p TOP 1 1 1.842 17.724 13.400 0.00 1.00 -ATOM 300 C4q TOP 1 1 1.842 17.724 16.750 0.00 1.00 -ATOM 301 C4r TOP 1 1 0.614 19.851 10.050 0.00 1.00 -ATOM 302 C4s TOP 1 1 0.614 19.851 13.400 0.00 1.00 -ATOM 303 C4t TOP 1 1 0.614 19.851 16.750 0.00 1.00 -ATOM 304 C4u TOP 1 1 28.858 21.978 10.050 0.00 1.00 -ATOM 305 C4v TOP 1 1 28.858 21.978 13.400 0.00 1.00 -ATOM 306 C4w TOP 1 1 28.858 21.978 16.750 0.00 1.00 -ATOM 307 C4x TOP 1 1 27.630 24.105 10.050 0.00 1.00 -ATOM 308 C4y TOP 1 1 27.630 24.105 13.400 0.00 1.00 -ATOM 309 C4z TOP 1 1 27.630 24.105 16.750 0.00 1.00 -ATOM 310 C50 TOP 1 1 26.402 26.232 10.050 0.00 1.00 -ATOM 311 C51 TOP 1 1 26.402 26.232 13.400 0.00 1.00 -ATOM 312 C52 TOP 1 1 26.402 26.232 16.750 0.00 1.00 -ATOM 313 C53 TOP 1 1 25.174 28.359 10.050 0.00 1.00 -ATOM 314 C54 TOP 1 1 25.174 28.359 13.400 0.00 1.00 -ATOM 315 C55 TOP 1 1 25.174 28.359 16.750 0.00 1.00 -ATOM 316 C56 TOP 1 1 23.946 0.709 10.050 0.00 1.00 -ATOM 317 C57 TOP 1 1 23.946 0.709 13.400 0.00 1.00 -ATOM 318 C58 TOP 1 1 23.946 0.709 16.750 0.00 1.00 -ATOM 319 C59 TOP 1 1 22.718 2.836 10.050 0.00 1.00 -ATOM 320 C5A TOP 1 1 22.718 2.836 13.400 0.00 1.00 -ATOM 321 C5B TOP 1 1 22.718 2.836 16.750 0.00 1.00 -ATOM 322 C5C TOP 1 1 21.490 4.963 10.050 0.00 1.00 -ATOM 323 C5D TOP 1 1 21.490 4.963 13.400 0.00 1.00 -ATOM 324 C5E TOP 1 1 21.490 4.963 16.750 0.00 1.00 -ATOM 325 C5F TOP 1 1 20.262 7.090 10.050 0.00 1.00 -ATOM 326 C5G TOP 1 1 20.262 7.090 13.400 0.00 1.00 -ATOM 327 C5H TOP 1 1 20.262 7.090 16.750 0.00 1.00 -ATOM 328 C5I TOP 1 1 19.034 9.217 10.050 0.00 1.00 -ATOM 329 C5J TOP 1 1 19.034 9.217 13.400 0.00 1.00 -ATOM 330 C5K TOP 1 1 19.034 9.217 16.750 0.00 1.00 -ATOM 331 C5L TOP 1 1 17.806 11.344 10.050 0.00 1.00 -ATOM 332 C5M TOP 1 1 17.806 11.344 13.400 0.00 1.00 -ATOM 333 C5N TOP 1 1 17.806 11.344 16.750 0.00 1.00 -ATOM 334 C5O TOP 1 1 16.578 13.471 10.050 0.00 1.00 -ATOM 335 C5P TOP 1 1 16.578 13.471 13.400 0.00 1.00 -ATOM 336 C5Q TOP 1 1 16.578 13.471 16.750 0.00 1.00 -ATOM 337 C5R TOP 1 1 5.526 15.597 10.050 0.00 1.00 -ATOM 338 C5S TOP 1 1 5.526 15.597 13.400 0.00 1.00 -ATOM 339 C5T TOP 1 1 5.526 15.597 16.750 0.00 1.00 -ATOM 340 C5U TOP 1 1 4.298 17.724 10.050 0.00 1.00 -ATOM 341 C5V TOP 1 1 4.298 17.724 13.400 0.00 1.00 -ATOM 342 C5W TOP 1 1 4.298 17.724 16.750 0.00 1.00 -ATOM 343 C5X TOP 1 1 3.070 19.851 10.050 0.00 1.00 -ATOM 344 C5Y TOP 1 1 3.070 19.851 13.400 0.00 1.00 -ATOM 345 C5Z TOP 1 1 3.070 19.851 16.750 0.00 1.00 -ATOM 346 C5a TOP 1 1 1.842 21.978 10.050 0.00 1.00 -ATOM 347 C5b TOP 1 1 1.842 21.978 13.400 0.00 1.00 -ATOM 348 C5c TOP 1 1 1.842 21.978 16.750 0.00 1.00 -ATOM 349 C5d TOP 1 1 0.614 24.105 10.050 0.00 1.00 -ATOM 350 C5e TOP 1 1 0.614 24.105 13.400 0.00 1.00 -ATOM 351 C5f TOP 1 1 0.614 24.105 16.750 0.00 1.00 -ATOM 352 C5g TOP 1 1 28.858 26.232 10.050 0.00 1.00 -ATOM 353 C5h TOP 1 1 28.858 26.232 13.400 0.00 1.00 -ATOM 354 C5i TOP 1 1 28.858 26.232 16.750 0.00 1.00 -ATOM 355 C5j TOP 1 1 27.630 28.359 10.050 0.00 1.00 -ATOM 356 C5k TOP 1 1 27.630 28.359 13.400 0.00 1.00 -ATOM 357 C5l TOP 1 1 27.630 28.359 16.750 0.00 1.00 -ATOM 358 C5m TOP 1 1 26.402 0.709 10.050 0.00 1.00 -ATOM 359 C5n TOP 1 1 26.402 0.709 13.400 0.00 1.00 -ATOM 360 C5o TOP 1 1 26.402 0.709 16.750 0.00 1.00 -ATOM 361 C5p TOP 1 1 25.174 2.836 10.050 0.00 1.00 -ATOM 362 C5q TOP 1 1 25.174 2.836 13.400 0.00 1.00 -ATOM 363 C5r TOP 1 1 25.174 2.836 16.750 0.00 1.00 -ATOM 364 C5s TOP 1 1 23.946 4.963 10.050 0.00 1.00 -ATOM 365 C5t TOP 1 1 23.946 4.963 13.400 0.00 1.00 -ATOM 366 C5u TOP 1 1 23.946 4.963 16.750 0.00 1.00 -ATOM 367 C5v TOP 1 1 22.718 7.090 10.050 0.00 1.00 -ATOM 368 C5w TOP 1 1 22.718 7.090 13.400 0.00 1.00 -ATOM 369 C5x TOP 1 1 22.718 7.090 16.750 0.00 1.00 -ATOM 370 C5y TOP 1 1 21.490 9.217 10.050 0.00 1.00 -ATOM 371 C5z TOP 1 1 21.490 9.217 13.400 0.00 1.00 -ATOM 372 C60 TOP 1 1 21.490 9.217 16.750 0.00 1.00 -ATOM 373 C61 TOP 1 1 20.262 11.344 10.050 0.00 1.00 -ATOM 374 C62 TOP 1 1 20.262 11.344 13.400 0.00 1.00 -ATOM 375 C63 TOP 1 1 20.262 11.344 16.750 0.00 1.00 -ATOM 376 C64 TOP 1 1 19.034 13.471 10.050 0.00 1.00 -ATOM 377 C65 TOP 1 1 19.034 13.471 13.400 0.00 1.00 -ATOM 378 C66 TOP 1 1 19.034 13.471 16.750 0.00 1.00 -ATOM 379 C67 TOP 1 1 7.982 15.597 10.050 0.00 1.00 -ATOM 380 C68 TOP 1 1 7.982 15.597 13.400 0.00 1.00 -ATOM 381 C69 TOP 1 1 7.982 15.597 16.750 0.00 1.00 -ATOM 382 C6A TOP 1 1 6.754 17.724 10.050 0.00 1.00 -ATOM 383 C6B TOP 1 1 6.754 17.724 13.400 0.00 1.00 -ATOM 384 C6C TOP 1 1 6.754 17.724 16.750 0.00 1.00 -ATOM 385 C6D TOP 1 1 5.526 19.851 10.050 0.00 1.00 -ATOM 386 C6E TOP 1 1 5.526 19.851 13.400 0.00 1.00 -ATOM 387 C6F TOP 1 1 5.526 19.851 16.750 0.00 1.00 -ATOM 388 C6G TOP 1 1 4.298 21.978 10.050 0.00 1.00 -ATOM 389 C6H TOP 1 1 4.298 21.978 13.400 0.00 1.00 -ATOM 390 C6I TOP 1 1 4.298 21.978 16.750 0.00 1.00 -ATOM 391 C6J TOP 1 1 3.070 24.105 10.050 0.00 1.00 -ATOM 392 C6K TOP 1 1 3.070 24.105 13.400 0.00 1.00 -ATOM 393 C6L TOP 1 1 3.070 24.105 16.750 0.00 1.00 -ATOM 394 C6M TOP 1 1 1.842 26.232 10.050 0.00 1.00 -ATOM 395 C6N TOP 1 1 1.842 26.232 13.400 0.00 1.00 -ATOM 396 C6O TOP 1 1 1.842 26.232 16.750 0.00 1.00 -ATOM 397 C6P TOP 1 1 0.614 28.359 10.050 0.00 1.00 -ATOM 398 C6Q TOP 1 1 0.614 28.359 13.400 0.00 1.00 -ATOM 399 C6R TOP 1 1 0.614 28.359 16.750 0.00 1.00 -ATOM 400 C6S TOP 1 1 28.858 0.709 10.050 0.00 1.00 -ATOM 401 C6T TOP 1 1 28.858 0.709 13.400 0.00 1.00 -ATOM 402 C6U TOP 1 1 28.858 0.709 16.750 0.00 1.00 -ATOM 403 C6V TOP 1 1 27.630 2.836 10.050 0.00 1.00 -ATOM 404 C6W TOP 1 1 27.630 2.836 13.400 0.00 1.00 -ATOM 405 C6X TOP 1 1 27.630 2.836 16.750 0.00 1.00 -ATOM 406 C6Y TOP 1 1 26.402 4.963 10.050 0.00 1.00 -ATOM 407 C6Z TOP 1 1 26.402 4.963 13.400 0.00 1.00 -ATOM 408 C6a TOP 1 1 26.402 4.963 16.750 0.00 1.00 -ATOM 409 C6b TOP 1 1 25.174 7.090 10.050 0.00 1.00 -ATOM 410 C6c TOP 1 1 25.174 7.090 13.400 0.00 1.00 -ATOM 411 C6d TOP 1 1 25.174 7.090 16.750 0.00 1.00 -ATOM 412 C6e TOP 1 1 23.946 9.217 10.050 0.00 1.00 -ATOM 413 C6f TOP 1 1 23.946 9.217 13.400 0.00 1.00 -ATOM 414 C6g TOP 1 1 23.946 9.217 16.750 0.00 1.00 -ATOM 415 C6h TOP 1 1 22.718 11.344 10.050 0.00 1.00 -ATOM 416 C6i TOP 1 1 22.718 11.344 13.400 0.00 1.00 -ATOM 417 C6j TOP 1 1 22.718 11.344 16.750 0.00 1.00 -ATOM 418 C6k TOP 1 1 21.490 13.471 10.050 0.00 1.00 -ATOM 419 C6l TOP 1 1 21.490 13.471 13.400 0.00 1.00 -ATOM 420 C6m TOP 1 1 21.490 13.471 16.750 0.00 1.00 -ATOM 421 C6n TOP 1 1 10.438 15.597 10.050 0.00 1.00 -ATOM 422 C6o TOP 1 1 10.438 15.597 13.400 0.00 1.00 -ATOM 423 C6p TOP 1 1 10.438 15.597 16.750 0.00 1.00 -ATOM 424 C6q TOP 1 1 9.210 17.724 10.050 0.00 1.00 -ATOM 425 C6r TOP 1 1 9.210 17.724 13.400 0.00 1.00 -ATOM 426 C6s TOP 1 1 9.210 17.724 16.750 0.00 1.00 -ATOM 427 C6t TOP 1 1 7.982 19.851 10.050 0.00 1.00 -ATOM 428 C6u TOP 1 1 7.982 19.851 13.400 0.00 1.00 -ATOM 429 C6v TOP 1 1 7.982 19.851 16.750 0.00 1.00 -ATOM 430 C6w TOP 1 1 6.754 21.978 10.050 0.00 1.00 -ATOM 431 C6x TOP 1 1 6.754 21.978 13.400 0.00 1.00 -ATOM 432 C6y TOP 1 1 6.754 21.978 16.750 0.00 1.00 -ATOM 433 C6z TOP 1 1 5.526 24.105 10.050 0.00 1.00 -ATOM 434 C70 TOP 1 1 5.526 24.105 13.400 0.00 1.00 -ATOM 435 C71 TOP 1 1 5.526 24.105 16.750 0.00 1.00 -ATOM 436 C72 TOP 1 1 4.298 26.232 10.050 0.00 1.00 -ATOM 437 C73 TOP 1 1 4.298 26.232 13.400 0.00 1.00 -ATOM 438 C74 TOP 1 1 4.298 26.232 16.750 0.00 1.00 -ATOM 439 C75 TOP 1 1 3.070 28.359 10.050 0.00 1.00 -ATOM 440 C76 TOP 1 1 3.070 28.359 13.400 0.00 1.00 -ATOM 441 C77 TOP 1 1 3.070 28.359 16.750 0.00 1.00 -ATOM 442 C78 TOP 1 1 1.842 0.709 10.050 0.00 1.00 -ATOM 443 C79 TOP 1 1 1.842 0.709 13.400 0.00 1.00 -ATOM 444 C7A TOP 1 1 1.842 0.709 16.750 0.00 1.00 -ATOM 445 C7B TOP 1 1 0.614 2.836 10.050 0.00 1.00 -ATOM 446 C7C TOP 1 1 0.614 2.836 13.400 0.00 1.00 -ATOM 447 C7D TOP 1 1 0.614 2.836 16.750 0.00 1.00 -ATOM 448 C7E TOP 1 1 28.858 4.963 10.050 0.00 1.00 -ATOM 449 C7F TOP 1 1 28.858 4.963 13.400 0.00 1.00 -ATOM 450 C7G TOP 1 1 28.858 4.963 16.750 0.00 1.00 -ATOM 451 C7H TOP 1 1 27.630 7.090 10.050 0.00 1.00 -ATOM 452 C7I TOP 1 1 27.630 7.090 13.400 0.00 1.00 -ATOM 453 C7J TOP 1 1 27.630 7.090 16.750 0.00 1.00 -ATOM 454 C7K TOP 1 1 26.402 9.217 10.050 0.00 1.00 -ATOM 455 C7L TOP 1 1 26.402 9.217 13.400 0.00 1.00 -ATOM 456 C7M TOP 1 1 26.402 9.217 16.750 0.00 1.00 -ATOM 457 C7N TOP 1 1 25.174 11.344 10.050 0.00 1.00 -ATOM 458 C7O TOP 1 1 25.174 11.344 13.400 0.00 1.00 -ATOM 459 C7P TOP 1 1 25.174 11.344 16.750 0.00 1.00 -ATOM 460 C7Q TOP 1 1 23.946 13.471 10.050 0.00 1.00 -ATOM 461 C7R TOP 1 1 23.946 13.471 13.400 0.00 1.00 -ATOM 462 C7S TOP 1 1 23.946 13.471 16.750 0.00 1.00 -ATOM 463 C7T TOP 1 1 12.894 15.597 10.050 0.00 1.00 -ATOM 464 C7U TOP 1 1 12.894 15.597 13.400 0.00 1.00 -ATOM 465 C7V TOP 1 1 12.894 15.597 16.750 0.00 1.00 -ATOM 466 C7W TOP 1 1 11.666 17.724 10.050 0.00 1.00 -ATOM 467 C7X TOP 1 1 11.666 17.724 13.400 0.00 1.00 -ATOM 468 C7Y TOP 1 1 11.666 17.724 16.750 0.00 1.00 -ATOM 469 C7Z TOP 1 1 10.438 19.851 10.050 0.00 1.00 -ATOM 470 C7a TOP 1 1 10.438 19.851 13.400 0.00 1.00 -ATOM 471 C7b TOP 1 1 10.438 19.851 16.750 0.00 1.00 -ATOM 472 C7c TOP 1 1 9.210 21.978 10.050 0.00 1.00 -ATOM 473 C7d TOP 1 1 9.210 21.978 13.400 0.00 1.00 -ATOM 474 C7e TOP 1 1 9.210 21.978 16.750 0.00 1.00 -ATOM 475 C7f TOP 1 1 7.982 24.105 10.050 0.00 1.00 -ATOM 476 C7g TOP 1 1 7.982 24.105 13.400 0.00 1.00 -ATOM 477 C7h TOP 1 1 7.982 24.105 16.750 0.00 1.00 -ATOM 478 C7i TOP 1 1 6.754 26.232 10.050 0.00 1.00 -ATOM 479 C7j TOP 1 1 6.754 26.232 13.400 0.00 1.00 -ATOM 480 C7k TOP 1 1 6.754 26.232 16.750 0.00 1.00 -ATOM 481 C7l TOP 1 1 5.526 28.359 10.050 0.00 1.00 -ATOM 482 C7m TOP 1 1 5.526 28.359 13.400 0.00 1.00 -ATOM 483 C7n TOP 1 1 5.526 28.359 16.750 0.00 1.00 -ATOM 484 C7o TOP 1 1 4.298 0.709 10.050 0.00 1.00 -ATOM 485 C7p TOP 1 1 4.298 0.709 13.400 0.00 1.00 -ATOM 486 C7q TOP 1 1 4.298 0.709 16.750 0.00 1.00 -ATOM 487 C7r TOP 1 1 3.070 2.836 10.050 0.00 1.00 -ATOM 488 C7s TOP 1 1 3.070 2.836 13.400 0.00 1.00 -ATOM 489 C7t TOP 1 1 3.070 2.836 16.750 0.00 1.00 -ATOM 490 C7u TOP 1 1 1.842 4.963 10.050 0.00 1.00 -ATOM 491 C7v TOP 1 1 1.842 4.963 13.400 0.00 1.00 -ATOM 492 C7w TOP 1 1 1.842 4.963 16.750 0.00 1.00 -ATOM 493 C7x TOP 1 1 0.614 7.090 10.050 0.00 1.00 -ATOM 494 C7y TOP 1 1 0.614 7.090 13.400 0.00 1.00 -ATOM 495 C7z TOP 1 1 0.614 7.090 16.750 0.00 1.00 -ATOM 496 C80 TOP 1 1 28.858 9.217 10.050 0.00 1.00 -ATOM 497 C81 TOP 1 1 28.858 9.217 13.400 0.00 1.00 -ATOM 498 C82 TOP 1 1 28.858 9.217 16.750 0.00 1.00 -ATOM 499 C83 TOP 1 1 27.630 11.344 10.050 0.00 1.00 -ATOM 500 C84 TOP 1 1 27.630 11.344 13.400 0.00 1.00 -ATOM 501 C85 TOP 1 1 27.630 11.344 16.750 0.00 1.00 -ATOM 502 C86 TOP 1 1 26.402 13.471 10.050 0.00 1.00 -ATOM 503 C87 TOP 1 1 26.402 13.471 13.400 0.00 1.00 -ATOM 504 C88 TOP 1 1 26.402 13.471 16.750 0.00 1.00 -ATOM 505 C89 TOP 1 1 16.578 16.306 10.050 0.00 1.00 -ATOM 506 C8A TOP 1 1 16.578 16.306 13.400 0.00 1.00 -ATOM 507 C8B TOP 1 1 16.578 16.306 16.750 0.00 1.00 -ATOM 508 C8C TOP 1 1 15.350 18.433 10.050 0.00 1.00 -ATOM 509 C8D TOP 1 1 15.350 18.433 13.400 0.00 1.00 -ATOM 510 C8E TOP 1 1 15.350 18.433 16.750 0.00 1.00 -ATOM 511 C8F TOP 1 1 14.122 20.560 10.050 0.00 1.00 -ATOM 512 C8G TOP 1 1 14.122 20.560 13.400 0.00 1.00 -ATOM 513 C8H TOP 1 1 14.122 20.560 16.750 0.00 1.00 -ATOM 514 C8I TOP 1 1 12.894 22.687 10.050 0.00 1.00 -ATOM 515 C8J TOP 1 1 12.894 22.687 13.400 0.00 1.00 -ATOM 516 C8K TOP 1 1 12.894 22.687 16.750 0.00 1.00 -ATOM 517 C8L TOP 1 1 11.666 24.814 10.050 0.00 1.00 -ATOM 518 C8M TOP 1 1 11.666 24.814 13.400 0.00 1.00 -ATOM 519 C8N TOP 1 1 11.666 24.814 16.750 0.00 1.00 -ATOM 520 C8O TOP 1 1 10.438 26.941 10.050 0.00 1.00 -ATOM 521 C8P TOP 1 1 10.438 26.941 13.400 0.00 1.00 -ATOM 522 C8Q TOP 1 1 10.438 26.941 16.750 0.00 1.00 -ATOM 523 C8R TOP 1 1 9.210 29.068 10.050 0.00 1.00 -ATOM 524 C8S TOP 1 1 9.210 29.068 13.400 0.00 1.00 -ATOM 525 C8T TOP 1 1 9.210 29.068 16.750 0.00 1.00 -ATOM 526 C8U TOP 1 1 7.982 1.418 10.050 0.00 1.00 -ATOM 527 C8V TOP 1 1 7.982 1.418 13.400 0.00 1.00 -ATOM 528 C8W TOP 1 1 7.982 1.418 16.750 0.00 1.00 -ATOM 529 C8X TOP 1 1 6.754 3.545 10.050 0.00 1.00 -ATOM 530 C8Y TOP 1 1 6.754 3.545 13.400 0.00 1.00 -ATOM 531 C8Z TOP 1 1 6.754 3.545 16.750 0.00 1.00 -ATOM 532 C8a TOP 1 1 5.526 5.672 10.050 0.00 1.00 -ATOM 533 C8b TOP 1 1 5.526 5.672 13.400 0.00 1.00 -ATOM 534 C8c TOP 1 1 5.526 5.672 16.750 0.00 1.00 -ATOM 535 C8d TOP 1 1 4.298 7.799 10.050 0.00 1.00 -ATOM 536 C8e TOP 1 1 4.298 7.799 13.400 0.00 1.00 -ATOM 537 C8f TOP 1 1 4.298 7.799 16.750 0.00 1.00 -ATOM 538 C8g TOP 1 1 3.070 9.926 10.050 0.00 1.00 -ATOM 539 C8h TOP 1 1 3.070 9.926 13.400 0.00 1.00 -ATOM 540 C8i TOP 1 1 3.070 9.926 16.750 0.00 1.00 -ATOM 541 C8j TOP 1 1 1.842 12.053 10.050 0.00 1.00 -ATOM 542 C8k TOP 1 1 1.842 12.053 13.400 0.00 1.00 -ATOM 543 C8l TOP 1 1 1.842 12.053 16.750 0.00 1.00 -ATOM 544 C8m TOP 1 1 0.614 14.180 10.050 0.00 1.00 -ATOM 545 C8n TOP 1 1 0.614 14.180 13.400 0.00 1.00 -ATOM 546 C8o TOP 1 1 0.614 14.180 16.750 0.00 1.00 -ATOM 547 C8p TOP 1 1 19.034 16.306 10.050 0.00 1.00 -ATOM 548 C8q TOP 1 1 19.034 16.306 13.400 0.00 1.00 -ATOM 549 C8r TOP 1 1 19.034 16.306 16.750 0.00 1.00 -ATOM 550 C8s TOP 1 1 17.806 18.433 10.050 0.00 1.00 -ATOM 551 C8t TOP 1 1 17.806 18.433 13.400 0.00 1.00 -ATOM 552 C8u TOP 1 1 17.806 18.433 16.750 0.00 1.00 -ATOM 553 C8v TOP 1 1 16.578 20.560 10.050 0.00 1.00 -ATOM 554 C8w TOP 1 1 16.578 20.560 13.400 0.00 1.00 -ATOM 555 C8x TOP 1 1 16.578 20.560 16.750 0.00 1.00 -ATOM 556 C8y TOP 1 1 15.350 22.687 10.050 0.00 1.00 -ATOM 557 C8z TOP 1 1 15.350 22.687 13.400 0.00 1.00 -ATOM 558 C90 TOP 1 1 15.350 22.687 16.750 0.00 1.00 -ATOM 559 C91 TOP 1 1 14.122 24.814 10.050 0.00 1.00 -ATOM 560 C92 TOP 1 1 14.122 24.814 13.400 0.00 1.00 -ATOM 561 C93 TOP 1 1 14.122 24.814 16.750 0.00 1.00 -ATOM 562 C94 TOP 1 1 12.894 26.941 10.050 0.00 1.00 -ATOM 563 C95 TOP 1 1 12.894 26.941 13.400 0.00 1.00 -ATOM 564 C96 TOP 1 1 12.894 26.941 16.750 0.00 1.00 -ATOM 565 C97 TOP 1 1 11.666 29.068 10.050 0.00 1.00 -ATOM 566 C98 TOP 1 1 11.666 29.068 13.400 0.00 1.00 -ATOM 567 C99 TOP 1 1 11.666 29.068 16.750 0.00 1.00 -ATOM 568 C9A TOP 1 1 10.438 1.418 10.050 0.00 1.00 -ATOM 569 C9B TOP 1 1 10.438 1.418 13.400 0.00 1.00 -ATOM 570 C9C TOP 1 1 10.438 1.418 16.750 0.00 1.00 -ATOM 571 C9D TOP 1 1 9.210 3.545 10.050 0.00 1.00 -ATOM 572 C9E TOP 1 1 9.210 3.545 13.400 0.00 1.00 -ATOM 573 C9F TOP 1 1 9.210 3.545 16.750 0.00 1.00 -ATOM 574 C9G TOP 1 1 7.982 5.672 10.050 0.00 1.00 -ATOM 575 C9H TOP 1 1 7.982 5.672 13.400 0.00 1.00 -ATOM 576 C9I TOP 1 1 7.982 5.672 16.750 0.00 1.00 -ATOM 577 C9J TOP 1 1 6.754 7.799 10.050 0.00 1.00 -ATOM 578 C9K TOP 1 1 6.754 7.799 13.400 0.00 1.00 -ATOM 579 C9L TOP 1 1 6.754 7.799 16.750 0.00 1.00 -ATOM 580 C9M TOP 1 1 5.526 9.926 10.050 0.00 1.00 -ATOM 581 C9N TOP 1 1 5.526 9.926 13.400 0.00 1.00 -ATOM 582 C9O TOP 1 1 5.526 9.926 16.750 0.00 1.00 -ATOM 583 C9P TOP 1 1 4.298 12.053 10.050 0.00 1.00 -ATOM 584 C9Q TOP 1 1 4.298 12.053 13.400 0.00 1.00 -ATOM 585 C9R TOP 1 1 4.298 12.053 16.750 0.00 1.00 -ATOM 586 C9S TOP 1 1 3.070 14.180 10.050 0.00 1.00 -ATOM 587 C9T TOP 1 1 3.070 14.180 13.400 0.00 1.00 -ATOM 588 C9U TOP 1 1 3.070 14.180 16.750 0.00 1.00 -ATOM 589 C9V TOP 1 1 21.490 16.306 10.050 0.00 1.00 -ATOM 590 C9W TOP 1 1 21.490 16.306 13.400 0.00 1.00 -ATOM 591 C9X TOP 1 1 21.490 16.306 16.750 0.00 1.00 -ATOM 592 C9Y TOP 1 1 20.262 18.433 10.050 0.00 1.00 -ATOM 593 C9Z TOP 1 1 20.262 18.433 13.400 0.00 1.00 -ATOM 594 C9a TOP 1 1 20.262 18.433 16.750 0.00 1.00 -ATOM 595 C9b TOP 1 1 19.034 20.560 10.050 0.00 1.00 -ATOM 596 C9c TOP 1 1 19.034 20.560 13.400 0.00 1.00 -ATOM 597 C9d TOP 1 1 19.034 20.560 16.750 0.00 1.00 -ATOM 598 C9e TOP 1 1 17.806 22.687 10.050 0.00 1.00 -ATOM 599 C9f TOP 1 1 17.806 22.687 13.400 0.00 1.00 -ATOM 600 C9g TOP 1 1 17.806 22.687 16.750 0.00 1.00 -ATOM 601 C9h TOP 1 1 16.578 24.814 10.050 0.00 1.00 -ATOM 602 C9i TOP 1 1 16.578 24.814 13.400 0.00 1.00 -ATOM 603 C9j TOP 1 1 16.578 24.814 16.750 0.00 1.00 -ATOM 604 C9k TOP 1 1 15.350 26.941 10.050 0.00 1.00 -ATOM 605 C9l TOP 1 1 15.350 26.941 13.400 0.00 1.00 -ATOM 606 C9m TOP 1 1 15.350 26.941 16.750 0.00 1.00 -ATOM 607 C9n TOP 1 1 14.122 29.068 10.050 0.00 1.00 -ATOM 608 C9o TOP 1 1 14.122 29.068 13.400 0.00 1.00 -ATOM 609 C9p TOP 1 1 14.122 29.068 16.750 0.00 1.00 -ATOM 610 C9q TOP 1 1 12.894 1.418 10.050 0.00 1.00 -ATOM 611 C9r TOP 1 1 12.894 1.418 13.400 0.00 1.00 -ATOM 612 C9s TOP 1 1 12.894 1.418 16.750 0.00 1.00 -ATOM 613 C9t TOP 1 1 11.666 3.545 10.050 0.00 1.00 -ATOM 614 C9u TOP 1 1 11.666 3.545 13.400 0.00 1.00 -ATOM 615 C9v TOP 1 1 11.666 3.545 16.750 0.00 1.00 -ATOM 616 C9w TOP 1 1 10.438 5.672 10.050 0.00 1.00 -ATOM 617 C9x TOP 1 1 10.438 5.672 13.400 0.00 1.00 -ATOM 618 C9y TOP 1 1 10.438 5.672 16.750 0.00 1.00 -ATOM 619 C9z TOP 1 1 9.210 7.799 10.050 0.00 1.00 -ATOM 620 CA0 TOP 1 1 9.210 7.799 13.400 0.00 1.00 -ATOM 621 CA1 TOP 1 1 9.210 7.799 16.750 0.00 1.00 -ATOM 622 CA2 TOP 1 1 7.982 9.926 10.050 0.00 1.00 -ATOM 623 CA3 TOP 1 1 7.982 9.926 13.400 0.00 1.00 -ATOM 624 CA4 TOP 1 1 7.982 9.926 16.750 0.00 1.00 -ATOM 625 CA5 TOP 1 1 6.754 12.053 10.050 0.00 1.00 -ATOM 626 CA6 TOP 1 1 6.754 12.053 13.400 0.00 1.00 -ATOM 627 CA7 TOP 1 1 6.754 12.053 16.750 0.00 1.00 -ATOM 628 CA8 TOP 1 1 5.526 14.180 10.050 0.00 1.00 -ATOM 629 CA9 TOP 1 1 5.526 14.180 13.400 0.00 1.00 -ATOM 630 CAA TOP 1 1 5.526 14.180 16.750 0.00 1.00 -ATOM 631 CAB TOP 1 1 23.946 16.306 10.050 0.00 1.00 -ATOM 632 CAC TOP 1 1 23.946 16.306 13.400 0.00 1.00 -ATOM 633 CAD TOP 1 1 23.946 16.306 16.750 0.00 1.00 -ATOM 634 CAE TOP 1 1 22.718 18.433 10.050 0.00 1.00 -ATOM 635 CAF TOP 1 1 22.718 18.433 13.400 0.00 1.00 -ATOM 636 CAG TOP 1 1 22.718 18.433 16.750 0.00 1.00 -ATOM 637 CAH TOP 1 1 21.490 20.560 10.050 0.00 1.00 -ATOM 638 CAI TOP 1 1 21.490 20.560 13.400 0.00 1.00 -ATOM 639 CAJ TOP 1 1 21.490 20.560 16.750 0.00 1.00 -ATOM 640 CAK TOP 1 1 20.262 22.687 10.050 0.00 1.00 -ATOM 641 CAL TOP 1 1 20.262 22.687 13.400 0.00 1.00 -ATOM 642 CAM TOP 1 1 20.262 22.687 16.750 0.00 1.00 -ATOM 643 CAN TOP 1 1 19.034 24.814 10.050 0.00 1.00 -ATOM 644 CAO TOP 1 1 19.034 24.814 13.400 0.00 1.00 -ATOM 645 CAP TOP 1 1 19.034 24.814 16.750 0.00 1.00 -ATOM 646 CAQ TOP 1 1 17.806 26.941 10.050 0.00 1.00 -ATOM 647 CAR TOP 1 1 17.806 26.941 13.400 0.00 1.00 -ATOM 648 CAS TOP 1 1 17.806 26.941 16.750 0.00 1.00 -ATOM 649 CAT TOP 1 1 16.578 29.068 10.050 0.00 1.00 -ATOM 650 CAU TOP 1 1 16.578 29.068 13.400 0.00 1.00 -ATOM 651 CAV TOP 1 1 16.578 29.068 16.750 0.00 1.00 -ATOM 652 CAW TOP 1 1 15.350 1.418 10.050 0.00 1.00 -ATOM 653 CAX TOP 1 1 15.350 1.418 13.400 0.00 1.00 -ATOM 654 CAY TOP 1 1 15.350 1.418 16.750 0.00 1.00 -ATOM 655 CAZ TOP 1 1 14.122 3.545 10.050 0.00 1.00 -ATOM 656 CAa TOP 1 1 14.122 3.545 13.400 0.00 1.00 -ATOM 657 CAb TOP 1 1 14.122 3.545 16.750 0.00 1.00 -ATOM 658 CAc TOP 1 1 12.894 5.672 10.050 0.00 1.00 -ATOM 659 CAd TOP 1 1 12.894 5.672 13.400 0.00 1.00 -ATOM 660 CAe TOP 1 1 12.894 5.672 16.750 0.00 1.00 -ATOM 661 CAf TOP 1 1 11.666 7.799 10.050 0.00 1.00 -ATOM 662 CAg TOP 1 1 11.666 7.799 13.400 0.00 1.00 -ATOM 663 CAh TOP 1 1 11.666 7.799 16.750 0.00 1.00 -ATOM 664 CAi TOP 1 1 10.438 9.926 10.050 0.00 1.00 -ATOM 665 CAj TOP 1 1 10.438 9.926 13.400 0.00 1.00 -ATOM 666 CAk TOP 1 1 10.438 9.926 16.750 0.00 1.00 -ATOM 667 CAl TOP 1 1 9.210 12.053 10.050 0.00 1.00 -ATOM 668 CAm TOP 1 1 9.210 12.053 13.400 0.00 1.00 -ATOM 669 CAn TOP 1 1 9.210 12.053 16.750 0.00 1.00 -ATOM 670 CAo TOP 1 1 7.982 14.180 10.050 0.00 1.00 -ATOM 671 CAp TOP 1 1 7.982 14.180 13.400 0.00 1.00 -ATOM 672 CAq TOP 1 1 7.982 14.180 16.750 0.00 1.00 -ATOM 673 CAr TOP 1 1 26.402 16.306 10.050 0.00 1.00 -ATOM 674 CAs TOP 1 1 26.402 16.306 13.400 0.00 1.00 -ATOM 675 CAt TOP 1 1 26.402 16.306 16.750 0.00 1.00 -ATOM 676 CAu TOP 1 1 25.174 18.433 10.050 0.00 1.00 -ATOM 677 CAv TOP 1 1 25.174 18.433 13.400 0.00 1.00 -ATOM 678 CAw TOP 1 1 25.174 18.433 16.750 0.00 1.00 -ATOM 679 CAx TOP 1 1 23.946 20.560 10.050 0.00 1.00 -ATOM 680 CAy TOP 1 1 23.946 20.560 13.400 0.00 1.00 -ATOM 681 CAz TOP 1 1 23.946 20.560 16.750 0.00 1.00 -ATOM 682 CB0 TOP 1 1 22.718 22.687 10.050 0.00 1.00 -ATOM 683 CB1 TOP 1 1 22.718 22.687 13.400 0.00 1.00 -ATOM 684 CB2 TOP 1 1 22.718 22.687 16.750 0.00 1.00 -ATOM 685 CB3 TOP 1 1 21.490 24.814 10.050 0.00 1.00 -ATOM 686 CB4 TOP 1 1 21.490 24.814 13.400 0.00 1.00 -ATOM 687 CB5 TOP 1 1 21.490 24.814 16.750 0.00 1.00 -ATOM 688 CB6 TOP 1 1 20.262 26.941 10.050 0.00 1.00 -ATOM 689 CB7 TOP 1 1 20.262 26.941 13.400 0.00 1.00 -ATOM 690 CB8 TOP 1 1 20.262 26.941 16.750 0.00 1.00 -ATOM 691 CB9 TOP 1 1 19.034 29.068 10.050 0.00 1.00 -ATOM 692 CBA TOP 1 1 19.034 29.068 13.400 0.00 1.00 -ATOM 693 CBB TOP 1 1 19.034 29.068 16.750 0.00 1.00 -ATOM 694 CBC TOP 1 1 17.806 1.418 10.050 0.00 1.00 -ATOM 695 CBD TOP 1 1 17.806 1.418 13.400 0.00 1.00 -ATOM 696 CBE TOP 1 1 17.806 1.418 16.750 0.00 1.00 -ATOM 697 CBF TOP 1 1 16.578 3.545 10.050 0.00 1.00 -ATOM 698 CBG TOP 1 1 16.578 3.545 13.400 0.00 1.00 -ATOM 699 CBH TOP 1 1 16.578 3.545 16.750 0.00 1.00 -ATOM 700 CBI TOP 1 1 15.350 5.672 10.050 0.00 1.00 -ATOM 701 CBJ TOP 1 1 15.350 5.672 13.400 0.00 1.00 -ATOM 702 CBK TOP 1 1 15.350 5.672 16.750 0.00 1.00 -ATOM 703 CBL TOP 1 1 14.122 7.799 10.050 0.00 1.00 -ATOM 704 CBM TOP 1 1 14.122 7.799 13.400 0.00 1.00 -ATOM 705 CBN TOP 1 1 14.122 7.799 16.750 0.00 1.00 -ATOM 706 CBO TOP 1 1 12.894 9.926 10.050 0.00 1.00 -ATOM 707 CBP TOP 1 1 12.894 9.926 13.400 0.00 1.00 -ATOM 708 CBQ TOP 1 1 12.894 9.926 16.750 0.00 1.00 -ATOM 709 CBR TOP 1 1 11.666 12.053 10.050 0.00 1.00 -ATOM 710 CBS TOP 1 1 11.666 12.053 13.400 0.00 1.00 -ATOM 711 CBT TOP 1 1 11.666 12.053 16.750 0.00 1.00 -ATOM 712 CBU TOP 1 1 10.438 14.180 10.050 0.00 1.00 -ATOM 713 CBV TOP 1 1 10.438 14.180 13.400 0.00 1.00 -ATOM 714 CBW TOP 1 1 10.438 14.180 16.750 0.00 1.00 -ATOM 715 CBX TOP 1 1 28.858 16.306 10.050 0.00 1.00 -ATOM 716 CBY TOP 1 1 28.858 16.306 13.400 0.00 1.00 -ATOM 717 CBZ TOP 1 1 28.858 16.306 16.750 0.00 1.00 -ATOM 718 CBa TOP 1 1 27.630 18.433 10.050 0.00 1.00 -ATOM 719 CBb TOP 1 1 27.630 18.433 13.400 0.00 1.00 -ATOM 720 CBc TOP 1 1 27.630 18.433 16.750 0.00 1.00 -ATOM 721 CBd TOP 1 1 26.402 20.560 10.050 0.00 1.00 -ATOM 722 CBe TOP 1 1 26.402 20.560 13.400 0.00 1.00 -ATOM 723 CBf TOP 1 1 26.402 20.560 16.750 0.00 1.00 -ATOM 724 CBg TOP 1 1 25.174 22.687 10.050 0.00 1.00 -ATOM 725 CBh TOP 1 1 25.174 22.687 13.400 0.00 1.00 -ATOM 726 CBi TOP 1 1 25.174 22.687 16.750 0.00 1.00 -ATOM 727 CBj TOP 1 1 23.946 24.814 10.050 0.00 1.00 -ATOM 728 CBk TOP 1 1 23.946 24.814 13.400 0.00 1.00 -ATOM 729 CBl TOP 1 1 23.946 24.814 16.750 0.00 1.00 -ATOM 730 CBm TOP 1 1 22.718 26.941 10.050 0.00 1.00 -ATOM 731 CBn TOP 1 1 22.718 26.941 13.400 0.00 1.00 -ATOM 732 CBo TOP 1 1 22.718 26.941 16.750 0.00 1.00 -ATOM 733 CBp TOP 1 1 21.490 29.068 10.050 0.00 1.00 -ATOM 734 CBq TOP 1 1 21.490 29.068 13.400 0.00 1.00 -ATOM 735 CBr TOP 1 1 21.490 29.068 16.750 0.00 1.00 -ATOM 736 CBs TOP 1 1 20.262 1.418 10.050 0.00 1.00 -ATOM 737 CBt TOP 1 1 20.262 1.418 13.400 0.00 1.00 -ATOM 738 CBu TOP 1 1 20.262 1.418 16.750 0.00 1.00 -ATOM 739 CBv TOP 1 1 19.034 3.545 10.050 0.00 1.00 -ATOM 740 CBw TOP 1 1 19.034 3.545 13.400 0.00 1.00 -ATOM 741 CBx TOP 1 1 19.034 3.545 16.750 0.00 1.00 -ATOM 742 CBy TOP 1 1 17.806 5.672 10.050 0.00 1.00 -ATOM 743 CBz TOP 1 1 17.806 5.672 13.400 0.00 1.00 -ATOM 744 CC0 TOP 1 1 17.806 5.672 16.750 0.00 1.00 -ATOM 745 CC1 TOP 1 1 16.578 7.799 10.050 0.00 1.00 -ATOM 746 CC2 TOP 1 1 16.578 7.799 13.400 0.00 1.00 -ATOM 747 CC3 TOP 1 1 16.578 7.799 16.750 0.00 1.00 -ATOM 748 CC4 TOP 1 1 15.350 9.926 10.050 0.00 1.00 -ATOM 749 CC5 TOP 1 1 15.350 9.926 13.400 0.00 1.00 -ATOM 750 CC6 TOP 1 1 15.350 9.926 16.750 0.00 1.00 -ATOM 751 CC7 TOP 1 1 14.122 12.053 10.050 0.00 1.00 -ATOM 752 CC8 TOP 1 1 14.122 12.053 13.400 0.00 1.00 -ATOM 753 CC9 TOP 1 1 14.122 12.053 16.750 0.00 1.00 -ATOM 754 CCA TOP 1 1 12.894 14.180 10.050 0.00 1.00 -ATOM 755 CCB TOP 1 1 12.894 14.180 13.400 0.00 1.00 -ATOM 756 CCC TOP 1 1 12.894 14.180 16.750 0.00 1.00 -ATOM 757 CCD TOP 1 1 1.842 16.306 10.050 0.00 1.00 -ATOM 758 CCE TOP 1 1 1.842 16.306 13.400 0.00 1.00 -ATOM 759 CCF TOP 1 1 1.842 16.306 16.750 0.00 1.00 -ATOM 760 CCG TOP 1 1 0.614 18.433 10.050 0.00 1.00 -ATOM 761 CCH TOP 1 1 0.614 18.433 13.400 0.00 1.00 -ATOM 762 CCI TOP 1 1 0.614 18.433 16.750 0.00 1.00 -ATOM 763 CCJ TOP 1 1 28.858 20.560 10.050 0.00 1.00 -ATOM 764 CCK TOP 1 1 28.858 20.560 13.400 0.00 1.00 -ATOM 765 CCL TOP 1 1 28.858 20.560 16.750 0.00 1.00 -ATOM 766 CCM TOP 1 1 27.630 22.687 10.050 0.00 1.00 -ATOM 767 CCN TOP 1 1 27.630 22.687 13.400 0.00 1.00 -ATOM 768 CCO TOP 1 1 27.630 22.687 16.750 0.00 1.00 -ATOM 769 CCP TOP 1 1 26.402 24.814 10.050 0.00 1.00 -ATOM 770 CCQ TOP 1 1 26.402 24.814 13.400 0.00 1.00 -ATOM 771 CCR TOP 1 1 26.402 24.814 16.750 0.00 1.00 -ATOM 772 CCS TOP 1 1 25.174 26.941 10.050 0.00 1.00 -ATOM 773 CCT TOP 1 1 25.174 26.941 13.400 0.00 1.00 -ATOM 774 CCU TOP 1 1 25.174 26.941 16.750 0.00 1.00 -ATOM 775 CCV TOP 1 1 23.946 29.068 10.050 0.00 1.00 -ATOM 776 CCW TOP 1 1 23.946 29.068 13.400 0.00 1.00 -ATOM 777 CCX TOP 1 1 23.946 29.068 16.750 0.00 1.00 -ATOM 778 CCY TOP 1 1 22.718 1.418 10.050 0.00 1.00 -ATOM 779 CCZ TOP 1 1 22.718 1.418 13.400 0.00 1.00 -ATOM 780 CCa TOP 1 1 22.718 1.418 16.750 0.00 1.00 -ATOM 781 CCb TOP 1 1 21.490 3.545 10.050 0.00 1.00 -ATOM 782 CCc TOP 1 1 21.490 3.545 13.400 0.00 1.00 -ATOM 783 CCd TOP 1 1 21.490 3.545 16.750 0.00 1.00 -ATOM 784 CCe TOP 1 1 20.262 5.672 10.050 0.00 1.00 -ATOM 785 CCf TOP 1 1 20.262 5.672 13.400 0.00 1.00 -ATOM 786 CCg TOP 1 1 20.262 5.672 16.750 0.00 1.00 -ATOM 787 CCh TOP 1 1 19.034 7.799 10.050 0.00 1.00 -ATOM 788 CCi TOP 1 1 19.034 7.799 13.400 0.00 1.00 -ATOM 789 CCj TOP 1 1 19.034 7.799 16.750 0.00 1.00 -ATOM 790 CCk TOP 1 1 17.806 9.926 10.050 0.00 1.00 -ATOM 791 CCl TOP 1 1 17.806 9.926 13.400 0.00 1.00 -ATOM 792 CCm TOP 1 1 17.806 9.926 16.750 0.00 1.00 -ATOM 793 CCn TOP 1 1 16.578 12.053 10.050 0.00 1.00 -ATOM 794 CCo TOP 1 1 16.578 12.053 13.400 0.00 1.00 -ATOM 795 CCp TOP 1 1 16.578 12.053 16.750 0.00 1.00 -ATOM 796 CCq TOP 1 1 15.350 14.180 10.050 0.00 1.00 -ATOM 797 CCr TOP 1 1 15.350 14.180 13.400 0.00 1.00 -ATOM 798 CCs TOP 1 1 15.350 14.180 16.750 0.00 1.00 -ATOM 799 CCt TOP 1 1 4.298 16.306 10.050 0.00 1.00 -ATOM 800 CCu TOP 1 1 4.298 16.306 13.400 0.00 1.00 -ATOM 801 CCv TOP 1 1 4.298 16.306 16.750 0.00 1.00 -ATOM 802 CCw TOP 1 1 3.070 18.433 10.050 0.00 1.00 -ATOM 803 CCx TOP 1 1 3.070 18.433 13.400 0.00 1.00 -ATOM 804 CCy TOP 1 1 3.070 18.433 16.750 0.00 1.00 -ATOM 805 CCz TOP 1 1 1.842 20.560 10.050 0.00 1.00 -ATOM 806 CD0 TOP 1 1 1.842 20.560 13.400 0.00 1.00 -ATOM 807 CD1 TOP 1 1 1.842 20.560 16.750 0.00 1.00 -ATOM 808 CD2 TOP 1 1 0.614 22.687 10.050 0.00 1.00 -ATOM 809 CD3 TOP 1 1 0.614 22.687 13.400 0.00 1.00 -ATOM 810 CD4 TOP 1 1 0.614 22.687 16.750 0.00 1.00 -ATOM 811 CD5 TOP 1 1 28.858 24.814 10.050 0.00 1.00 -ATOM 812 CD6 TOP 1 1 28.858 24.814 13.400 0.00 1.00 -ATOM 813 CD7 TOP 1 1 28.858 24.814 16.750 0.00 1.00 -ATOM 814 CD8 TOP 1 1 27.630 26.941 10.050 0.00 1.00 -ATOM 815 CD9 TOP 1 1 27.630 26.941 13.400 0.00 1.00 -ATOM 816 CDA TOP 1 1 27.630 26.941 16.750 0.00 1.00 -ATOM 817 CDB TOP 1 1 26.402 29.068 10.050 0.00 1.00 -ATOM 818 CDC TOP 1 1 26.402 29.068 13.400 0.00 1.00 -ATOM 819 CDD TOP 1 1 26.402 29.068 16.750 0.00 1.00 -ATOM 820 CDE TOP 1 1 25.174 1.418 10.050 0.00 1.00 -ATOM 821 CDF TOP 1 1 25.174 1.418 13.400 0.00 1.00 -ATOM 822 CDG TOP 1 1 25.174 1.418 16.750 0.00 1.00 -ATOM 823 CDH TOP 1 1 23.946 3.545 10.050 0.00 1.00 -ATOM 824 CDI TOP 1 1 23.946 3.545 13.400 0.00 1.00 -ATOM 825 CDJ TOP 1 1 23.946 3.545 16.750 0.00 1.00 -ATOM 826 CDK TOP 1 1 22.718 5.672 10.050 0.00 1.00 -ATOM 827 CDL TOP 1 1 22.718 5.672 13.400 0.00 1.00 -ATOM 828 CDM TOP 1 1 22.718 5.672 16.750 0.00 1.00 -ATOM 829 CDN TOP 1 1 21.490 7.799 10.050 0.00 1.00 -ATOM 830 CDO TOP 1 1 21.490 7.799 13.400 0.00 1.00 -ATOM 831 CDP TOP 1 1 21.490 7.799 16.750 0.00 1.00 -ATOM 832 CDQ TOP 1 1 20.262 9.926 10.050 0.00 1.00 -ATOM 833 CDR TOP 1 1 20.262 9.926 13.400 0.00 1.00 -ATOM 834 CDS TOP 1 1 20.262 9.926 16.750 0.00 1.00 -ATOM 835 CDT TOP 1 1 19.034 12.053 10.050 0.00 1.00 -ATOM 836 CDU TOP 1 1 19.034 12.053 13.400 0.00 1.00 -ATOM 837 CDV TOP 1 1 19.034 12.053 16.750 0.00 1.00 -ATOM 838 CDW TOP 1 1 17.806 14.180 10.050 0.00 1.00 -ATOM 839 CDX TOP 1 1 17.806 14.180 13.400 0.00 1.00 -ATOM 840 CDY TOP 1 1 17.806 14.180 16.750 0.00 1.00 -ATOM 841 CDZ TOP 1 1 6.754 16.306 10.050 0.00 1.00 -ATOM 842 CDa TOP 1 1 6.754 16.306 13.400 0.00 1.00 -ATOM 843 CDb TOP 1 1 6.754 16.306 16.750 0.00 1.00 -ATOM 844 CDc TOP 1 1 5.526 18.433 10.050 0.00 1.00 -ATOM 845 CDd TOP 1 1 5.526 18.433 13.400 0.00 1.00 -ATOM 846 CDe TOP 1 1 5.526 18.433 16.750 0.00 1.00 -ATOM 847 CDf TOP 1 1 4.298 20.560 10.050 0.00 1.00 -ATOM 848 CDg TOP 1 1 4.298 20.560 13.400 0.00 1.00 -ATOM 849 CDh TOP 1 1 4.298 20.560 16.750 0.00 1.00 -ATOM 850 CDi TOP 1 1 3.070 22.687 10.050 0.00 1.00 -ATOM 851 CDj TOP 1 1 3.070 22.687 13.400 0.00 1.00 -ATOM 852 CDk TOP 1 1 3.070 22.687 16.750 0.00 1.00 -ATOM 853 CDl TOP 1 1 1.842 24.814 10.050 0.00 1.00 -ATOM 854 CDm TOP 1 1 1.842 24.814 13.400 0.00 1.00 -ATOM 855 CDn TOP 1 1 1.842 24.814 16.750 0.00 1.00 -ATOM 856 CDo TOP 1 1 0.614 26.941 10.050 0.00 1.00 -ATOM 857 CDp TOP 1 1 0.614 26.941 13.400 0.00 1.00 -ATOM 858 CDq TOP 1 1 0.614 26.941 16.750 0.00 1.00 -ATOM 859 CDr TOP 1 1 28.858 29.068 10.050 0.00 1.00 -ATOM 860 CDs TOP 1 1 28.858 29.068 13.400 0.00 1.00 -ATOM 861 CDt TOP 1 1 28.858 29.068 16.750 0.00 1.00 -ATOM 862 CDu TOP 1 1 27.630 1.418 10.050 0.00 1.00 -ATOM 863 CDv TOP 1 1 27.630 1.418 13.400 0.00 1.00 -ATOM 864 CDw TOP 1 1 27.630 1.418 16.750 0.00 1.00 -ATOM 865 CDx TOP 1 1 26.402 3.545 10.050 0.00 1.00 -ATOM 866 CDy TOP 1 1 26.402 3.545 13.400 0.00 1.00 -ATOM 867 CDz TOP 1 1 26.402 3.545 16.750 0.00 1.00 -ATOM 868 CE0 TOP 1 1 25.174 5.672 10.050 0.00 1.00 -ATOM 869 CE1 TOP 1 1 25.174 5.672 13.400 0.00 1.00 -ATOM 870 CE2 TOP 1 1 25.174 5.672 16.750 0.00 1.00 -ATOM 871 CE3 TOP 1 1 23.946 7.799 10.050 0.00 1.00 -ATOM 872 CE4 TOP 1 1 23.946 7.799 13.400 0.00 1.00 -ATOM 873 CE5 TOP 1 1 23.946 7.799 16.750 0.00 1.00 -ATOM 874 CE6 TOP 1 1 22.718 9.926 10.050 0.00 1.00 -ATOM 875 CE7 TOP 1 1 22.718 9.926 13.400 0.00 1.00 -ATOM 876 CE8 TOP 1 1 22.718 9.926 16.750 0.00 1.00 -ATOM 877 CE9 TOP 1 1 21.490 12.053 10.050 0.00 1.00 -ATOM 878 CEA TOP 1 1 21.490 12.053 13.400 0.00 1.00 -ATOM 879 CEB TOP 1 1 21.490 12.053 16.750 0.00 1.00 -ATOM 880 CEC TOP 1 1 20.262 14.180 10.050 0.00 1.00 -ATOM 881 CED TOP 1 1 20.262 14.180 13.400 0.00 1.00 -ATOM 882 CEE TOP 1 1 20.262 14.180 16.750 0.00 1.00 -ATOM 883 CEF TOP 1 1 9.210 16.306 10.050 0.00 1.00 -ATOM 884 CEG TOP 1 1 9.210 16.306 13.400 0.00 1.00 -ATOM 885 CEH TOP 1 1 9.210 16.306 16.750 0.00 1.00 -ATOM 886 CEI TOP 1 1 7.982 18.433 10.050 0.00 1.00 -ATOM 887 CEJ TOP 1 1 7.982 18.433 13.400 0.00 1.00 -ATOM 888 CEK TOP 1 1 7.982 18.433 16.750 0.00 1.00 -ATOM 889 CEL TOP 1 1 6.754 20.560 10.050 0.00 1.00 -ATOM 890 CEM TOP 1 1 6.754 20.560 13.400 0.00 1.00 -ATOM 891 CEN TOP 1 1 6.754 20.560 16.750 0.00 1.00 -ATOM 892 CEO TOP 1 1 5.526 22.687 10.050 0.00 1.00 -ATOM 893 CEP TOP 1 1 5.526 22.687 13.400 0.00 1.00 -ATOM 894 CEQ TOP 1 1 5.526 22.687 16.750 0.00 1.00 -ATOM 895 CER TOP 1 1 4.298 24.814 10.050 0.00 1.00 -ATOM 896 CES TOP 1 1 4.298 24.814 13.400 0.00 1.00 -ATOM 897 CET TOP 1 1 4.298 24.814 16.750 0.00 1.00 -ATOM 898 CEU TOP 1 1 3.070 26.941 10.050 0.00 1.00 -ATOM 899 CEV TOP 1 1 3.070 26.941 13.400 0.00 1.00 -ATOM 900 CEW TOP 1 1 3.070 26.941 16.750 0.00 1.00 -ATOM 901 CEX TOP 1 1 1.842 29.068 10.050 0.00 1.00 -ATOM 902 CEY TOP 1 1 1.842 29.068 13.400 0.00 1.00 -ATOM 903 CEZ TOP 1 1 1.842 29.068 16.750 0.00 1.00 -ATOM 904 CEa TOP 1 1 0.614 1.418 10.050 0.00 1.00 -ATOM 905 CEb TOP 1 1 0.614 1.418 13.400 0.00 1.00 -ATOM 906 CEc TOP 1 1 0.614 1.418 16.750 0.00 1.00 -ATOM 907 CEd TOP 1 1 28.858 3.545 10.050 0.00 1.00 -ATOM 908 CEe TOP 1 1 28.858 3.545 13.400 0.00 1.00 -ATOM 909 CEf TOP 1 1 28.858 3.545 16.750 0.00 1.00 -ATOM 910 CEg TOP 1 1 27.630 5.672 10.050 0.00 1.00 -ATOM 911 CEh TOP 1 1 27.630 5.672 13.400 0.00 1.00 -ATOM 912 CEi TOP 1 1 27.630 5.672 16.750 0.00 1.00 -ATOM 913 CEj TOP 1 1 26.402 7.799 10.050 0.00 1.00 -ATOM 914 CEk TOP 1 1 26.402 7.799 13.400 0.00 1.00 -ATOM 915 CEl TOP 1 1 26.402 7.799 16.750 0.00 1.00 -ATOM 916 CEm TOP 1 1 25.174 9.926 10.050 0.00 1.00 -ATOM 917 CEn TOP 1 1 25.174 9.926 13.400 0.00 1.00 -ATOM 918 CEo TOP 1 1 25.174 9.926 16.750 0.00 1.00 -ATOM 919 CEp TOP 1 1 23.946 12.053 10.050 0.00 1.00 -ATOM 920 CEq TOP 1 1 23.946 12.053 13.400 0.00 1.00 -ATOM 921 CEr TOP 1 1 23.946 12.053 16.750 0.00 1.00 -ATOM 922 CEs TOP 1 1 22.718 14.180 10.050 0.00 1.00 -ATOM 923 CEt TOP 1 1 22.718 14.180 13.400 0.00 1.00 -ATOM 924 CEu TOP 1 1 22.718 14.180 16.750 0.00 1.00 -ATOM 925 CEv TOP 1 1 11.666 16.306 10.050 0.00 1.00 -ATOM 926 CEw TOP 1 1 11.666 16.306 13.400 0.00 1.00 -ATOM 927 CEx TOP 1 1 11.666 16.306 16.750 0.00 1.00 -ATOM 928 CEy TOP 1 1 10.438 18.433 10.050 0.00 1.00 -ATOM 929 CEz TOP 1 1 10.438 18.433 13.400 0.00 1.00 -ATOM 930 CF0 TOP 1 1 10.438 18.433 16.750 0.00 1.00 -ATOM 931 CF1 TOP 1 1 9.210 20.560 10.050 0.00 1.00 -ATOM 932 CF2 TOP 1 1 9.210 20.560 13.400 0.00 1.00 -ATOM 933 CF3 TOP 1 1 9.210 20.560 16.750 0.00 1.00 -ATOM 934 CF4 TOP 1 1 7.982 22.687 10.050 0.00 1.00 -ATOM 935 CF5 TOP 1 1 7.982 22.687 13.400 0.00 1.00 -ATOM 936 CF6 TOP 1 1 7.982 22.687 16.750 0.00 1.00 -ATOM 937 CF7 TOP 1 1 6.754 24.814 10.050 0.00 1.00 -ATOM 938 CF8 TOP 1 1 6.754 24.814 13.400 0.00 1.00 -ATOM 939 CF9 TOP 1 1 6.754 24.814 16.750 0.00 1.00 -ATOM 940 CFA TOP 1 1 5.526 26.941 10.050 0.00 1.00 -ATOM 941 CFB TOP 1 1 5.526 26.941 13.400 0.00 1.00 -ATOM 942 CFC TOP 1 1 5.526 26.941 16.750 0.00 1.00 -ATOM 943 CFD TOP 1 1 4.298 29.068 10.050 0.00 1.00 -ATOM 944 CFE TOP 1 1 4.298 29.068 13.400 0.00 1.00 -ATOM 945 CFF TOP 1 1 4.298 29.068 16.750 0.00 1.00 -ATOM 946 CFG TOP 1 1 3.070 1.418 10.050 0.00 1.00 -ATOM 947 CFH TOP 1 1 3.070 1.418 13.400 0.00 1.00 -ATOM 948 CFI TOP 1 1 3.070 1.418 16.750 0.00 1.00 -ATOM 949 CFJ TOP 1 1 1.842 3.545 10.050 0.00 1.00 -ATOM 950 CFK TOP 1 1 1.842 3.545 13.400 0.00 1.00 -ATOM 951 CFL TOP 1 1 1.842 3.545 16.750 0.00 1.00 -ATOM 952 CFM TOP 1 1 0.614 5.672 10.050 0.00 1.00 -ATOM 953 CFN TOP 1 1 0.614 5.672 13.400 0.00 1.00 -ATOM 954 CFO TOP 1 1 0.614 5.672 16.750 0.00 1.00 -ATOM 955 CFP TOP 1 1 28.858 7.799 10.050 0.00 1.00 -ATOM 956 CFQ TOP 1 1 28.858 7.799 13.400 0.00 1.00 -ATOM 957 CFR TOP 1 1 28.858 7.799 16.750 0.00 1.00 -ATOM 958 CFS TOP 1 1 27.630 9.926 10.050 0.00 1.00 -ATOM 959 CFT TOP 1 1 27.630 9.926 13.400 0.00 1.00 -ATOM 960 CFU TOP 1 1 27.630 9.926 16.750 0.00 1.00 -ATOM 961 CFV TOP 1 1 26.402 12.053 10.050 0.00 1.00 -ATOM 962 CFW TOP 1 1 26.402 12.053 13.400 0.00 1.00 -ATOM 963 CFX TOP 1 1 26.402 12.053 16.750 0.00 1.00 -ATOM 964 CFY TOP 1 1 25.174 14.180 10.050 0.00 1.00 -ATOM 965 CFZ TOP 1 1 25.174 14.180 13.400 0.00 1.00 -ATOM 966 CFa TOP 1 1 25.174 14.180 16.750 0.00 1.00 -ATOM 967 CFb TOP 1 1 14.122 16.306 10.050 0.00 1.00 -ATOM 968 CFc TOP 1 1 14.122 16.306 13.400 0.00 1.00 -ATOM 969 CFd TOP 1 1 14.122 16.306 16.750 0.00 1.00 -ATOM 970 CFe TOP 1 1 12.894 18.433 10.050 0.00 1.00 -ATOM 971 CFf TOP 1 1 12.894 18.433 13.400 0.00 1.00 -ATOM 972 CFg TOP 1 1 12.894 18.433 16.750 0.00 1.00 -ATOM 973 CFh TOP 1 1 11.666 20.560 10.050 0.00 1.00 -ATOM 974 CFi TOP 1 1 11.666 20.560 13.400 0.00 1.00 -ATOM 975 CFj TOP 1 1 11.666 20.560 16.750 0.00 1.00 -ATOM 976 CFk TOP 1 1 10.438 22.687 10.050 0.00 1.00 -ATOM 977 CFl TOP 1 1 10.438 22.687 13.400 0.00 1.00 -ATOM 978 CFm TOP 1 1 10.438 22.687 16.750 0.00 1.00 -ATOM 979 CFn TOP 1 1 9.210 24.814 10.050 0.00 1.00 -ATOM 980 CFo TOP 1 1 9.210 24.814 13.400 0.00 1.00 -ATOM 981 CFp TOP 1 1 9.210 24.814 16.750 0.00 1.00 -ATOM 982 CFq TOP 1 1 7.982 26.941 10.050 0.00 1.00 -ATOM 983 CFr TOP 1 1 7.982 26.941 13.400 0.00 1.00 -ATOM 984 CFs TOP 1 1 7.982 26.941 16.750 0.00 1.00 -ATOM 985 CFt TOP 1 1 6.754 29.068 10.050 0.00 1.00 -ATOM 986 CFu TOP 1 1 6.754 29.068 13.400 0.00 1.00 -ATOM 987 CFv TOP 1 1 6.754 29.068 16.750 0.00 1.00 -ATOM 988 CFw TOP 1 1 5.526 1.418 10.050 0.00 1.00 -ATOM 989 CFx TOP 1 1 5.526 1.418 13.400 0.00 1.00 -ATOM 990 CFy TOP 1 1 5.526 1.418 16.750 0.00 1.00 -ATOM 991 CFz TOP 1 1 4.298 3.545 10.050 0.00 1.00 -ATOM 992 CG0 TOP 1 1 4.298 3.545 13.400 0.00 1.00 -ATOM 993 CG1 TOP 1 1 4.298 3.545 16.750 0.00 1.00 -ATOM 994 CG2 TOP 1 1 3.070 5.672 10.050 0.00 1.00 -ATOM 995 CG3 TOP 1 1 3.070 5.672 13.400 0.00 1.00 -ATOM 996 CG4 TOP 1 1 3.070 5.672 16.750 0.00 1.00 -ATOM 997 CG5 TOP 1 1 1.842 7.799 10.050 0.00 1.00 -ATOM 998 CG6 TOP 1 1 1.842 7.799 13.400 0.00 1.00 -ATOM 999 CG7 TOP 1 1 1.842 7.799 16.750 0.00 1.00 -ATOM 1000 CG8 TOP 1 1 0.614 9.926 10.050 0.00 1.00 -ATOM 1001 CG9 TOP 1 1 0.614 9.926 13.400 0.00 1.00 -ATOM 1002 CGA TOP 1 1 0.614 9.926 16.750 0.00 1.00 -ATOM 1003 CGB TOP 1 1 28.858 12.053 10.050 0.00 1.00 -ATOM 1004 CGC TOP 1 1 28.858 12.053 13.400 0.00 1.00 -ATOM 1005 CGD TOP 1 1 28.858 12.053 16.750 0.00 1.00 -ATOM 1006 CGE TOP 1 1 27.630 14.180 10.050 0.00 1.00 -ATOM 1007 CGF TOP 1 1 27.630 14.180 13.400 0.00 1.00 -ATOM 1008 CGG TOP 1 1 27.630 14.180 16.750 0.00 1.00 -ATOM 1009 C1 BOT 1 2 15.350 15.597 0.000 0.00 1.00 -ATOM 1010 C2 BOT 1 2 15.350 15.597 3.350 0.00 1.00 -ATOM 1011 C3 BOT 1 2 15.350 15.597 6.700 0.00 1.00 -ATOM 1012 C4 BOT 1 2 14.122 17.724 0.000 0.00 1.00 -ATOM 1013 C5 BOT 1 2 14.122 17.724 3.350 0.00 1.00 -ATOM 1014 C6 BOT 1 2 14.122 17.724 6.700 0.00 1.00 -ATOM 1015 C7 BOT 1 2 12.894 19.851 0.000 0.00 1.00 -ATOM 1016 C8 BOT 1 2 12.894 19.851 3.350 0.00 1.00 -ATOM 1017 C9 BOT 1 2 12.894 19.851 6.700 0.00 1.00 -ATOM 1018 CA BOT 1 2 11.666 21.978 0.000 0.00 1.00 -ATOM 1019 CB BOT 1 2 11.666 21.978 3.350 0.00 1.00 -ATOM 1020 CC BOT 1 2 11.666 21.978 6.700 0.00 1.00 -ATOM 1021 CD BOT 1 2 10.438 24.105 0.000 0.00 1.00 -ATOM 1022 CE BOT 1 2 10.438 24.105 3.350 0.00 1.00 -ATOM 1023 CF BOT 1 2 10.438 24.105 6.700 0.00 1.00 -ATOM 1024 CG BOT 1 2 9.210 26.232 0.000 0.00 1.00 -ATOM 1025 CH BOT 1 2 9.210 26.232 3.350 0.00 1.00 -ATOM 1026 CI BOT 1 2 9.210 26.232 6.700 0.00 1.00 -ATOM 1027 CJ BOT 1 2 7.982 28.359 0.000 0.00 1.00 -ATOM 1028 CK BOT 1 2 7.982 28.359 3.350 0.00 1.00 -ATOM 1029 CL BOT 1 2 7.982 28.359 6.700 0.00 1.00 -ATOM 1030 CM BOT 1 2 6.754 0.709 0.000 0.00 1.00 -ATOM 1031 CN BOT 1 2 6.754 0.709 3.350 0.00 1.00 -ATOM 1032 CO BOT 1 2 6.754 0.709 6.700 0.00 1.00 -ATOM 1033 CP BOT 1 2 5.526 2.836 0.000 0.00 1.00 -ATOM 1034 CQ BOT 1 2 5.526 2.836 3.350 0.00 1.00 -ATOM 1035 CR BOT 1 2 5.526 2.836 6.700 0.00 1.00 -ATOM 1036 CS BOT 1 2 4.298 4.963 0.000 0.00 1.00 -ATOM 1037 CT BOT 1 2 4.298 4.963 3.350 0.00 1.00 -ATOM 1038 CU BOT 1 2 4.298 4.963 6.700 0.00 1.00 -ATOM 1039 CV BOT 1 2 3.070 7.090 0.000 0.00 1.00 -ATOM 1040 CW BOT 1 2 3.070 7.090 3.350 0.00 1.00 -ATOM 1041 CX BOT 1 2 3.070 7.090 6.700 0.00 1.00 -ATOM 1042 CY BOT 1 2 1.842 9.217 0.000 0.00 1.00 -ATOM 1043 CZ BOT 1 2 1.842 9.217 3.350 0.00 1.00 -ATOM 1044 Ca BOT 1 2 1.842 9.217 6.700 0.00 1.00 -ATOM 1045 Cb BOT 1 2 0.614 11.344 0.000 0.00 1.00 -ATOM 1046 Cc BOT 1 2 0.614 11.344 3.350 0.00 1.00 -ATOM 1047 Cd BOT 1 2 0.614 11.344 6.700 0.00 1.00 -ATOM 1048 Ce BOT 1 2 28.858 13.471 0.000 0.00 1.00 -ATOM 1049 Cf BOT 1 2 28.858 13.471 3.350 0.00 1.00 -ATOM 1050 Cg BOT 1 2 28.858 13.471 6.700 0.00 1.00 -ATOM 1051 Ch BOT 1 2 17.806 15.597 0.000 0.00 1.00 -ATOM 1052 Ci BOT 1 2 17.806 15.597 3.350 0.00 1.00 -ATOM 1053 Cj BOT 1 2 17.806 15.597 6.700 0.00 1.00 -ATOM 1054 Ck BOT 1 2 16.578 17.724 0.000 0.00 1.00 -ATOM 1055 Cl BOT 1 2 16.578 17.724 3.350 0.00 1.00 -ATOM 1056 Cm BOT 1 2 16.578 17.724 6.700 0.00 1.00 -ATOM 1057 Cn BOT 1 2 15.350 19.851 0.000 0.00 1.00 -ATOM 1058 Co BOT 1 2 15.350 19.851 3.350 0.00 1.00 -ATOM 1059 Cp BOT 1 2 15.350 19.851 6.700 0.00 1.00 -ATOM 1060 Cq BOT 1 2 14.122 21.978 0.000 0.00 1.00 -ATOM 1061 Cr BOT 1 2 14.122 21.978 3.350 0.00 1.00 -ATOM 1062 Cs BOT 1 2 14.122 21.978 6.700 0.00 1.00 -ATOM 1063 Ct BOT 1 2 12.894 24.105 0.000 0.00 1.00 -ATOM 1064 Cu BOT 1 2 12.894 24.105 3.350 0.00 1.00 -ATOM 1065 Cv BOT 1 2 12.894 24.105 6.700 0.00 1.00 -ATOM 1066 Cw BOT 1 2 11.666 26.232 0.000 0.00 1.00 -ATOM 1067 Cx BOT 1 2 11.666 26.232 3.350 0.00 1.00 -ATOM 1068 Cy BOT 1 2 11.666 26.232 6.700 0.00 1.00 -ATOM 1069 Cz BOT 1 2 10.438 28.359 0.000 0.00 1.00 -ATOM 1070 C10 BOT 1 2 10.438 28.359 3.350 0.00 1.00 -ATOM 1071 C11 BOT 1 2 10.438 28.359 6.700 0.00 1.00 -ATOM 1072 C12 BOT 1 2 9.210 0.709 0.000 0.00 1.00 -ATOM 1073 C13 BOT 1 2 9.210 0.709 3.350 0.00 1.00 -ATOM 1074 C14 BOT 1 2 9.210 0.709 6.700 0.00 1.00 -ATOM 1075 C15 BOT 1 2 7.982 2.836 0.000 0.00 1.00 -ATOM 1076 C16 BOT 1 2 7.982 2.836 3.350 0.00 1.00 -ATOM 1077 C17 BOT 1 2 7.982 2.836 6.700 0.00 1.00 -ATOM 1078 C18 BOT 1 2 6.754 4.963 0.000 0.00 1.00 -ATOM 1079 C19 BOT 1 2 6.754 4.963 3.350 0.00 1.00 -ATOM 1080 C1A BOT 1 2 6.754 4.963 6.700 0.00 1.00 -ATOM 1081 C1B BOT 1 2 5.526 7.090 0.000 0.00 1.00 -ATOM 1082 C1C BOT 1 2 5.526 7.090 3.350 0.00 1.00 -ATOM 1083 C1D BOT 1 2 5.526 7.090 6.700 0.00 1.00 -ATOM 1084 C1E BOT 1 2 4.298 9.217 0.000 0.00 1.00 -ATOM 1085 C1F BOT 1 2 4.298 9.217 3.350 0.00 1.00 -ATOM 1086 C1G BOT 1 2 4.298 9.217 6.700 0.00 1.00 -ATOM 1087 C1H BOT 1 2 3.070 11.344 0.000 0.00 1.00 -ATOM 1088 C1I BOT 1 2 3.070 11.344 3.350 0.00 1.00 -ATOM 1089 C1J BOT 1 2 3.070 11.344 6.700 0.00 1.00 -ATOM 1090 C1K BOT 1 2 1.842 13.471 0.000 0.00 1.00 -ATOM 1091 C1L BOT 1 2 1.842 13.471 3.350 0.00 1.00 -ATOM 1092 C1M BOT 1 2 1.842 13.471 6.700 0.00 1.00 -ATOM 1093 C1N BOT 1 2 20.262 15.597 0.000 0.00 1.00 -ATOM 1094 C1O BOT 1 2 20.262 15.597 3.350 0.00 1.00 -ATOM 1095 C1P BOT 1 2 20.262 15.597 6.700 0.00 1.00 -ATOM 1096 C1Q BOT 1 2 19.034 17.724 0.000 0.00 1.00 -ATOM 1097 C1R BOT 1 2 19.034 17.724 3.350 0.00 1.00 -ATOM 1098 C1S BOT 1 2 19.034 17.724 6.700 0.00 1.00 -ATOM 1099 C1T BOT 1 2 17.806 19.851 0.000 0.00 1.00 -ATOM 1100 C1U BOT 1 2 17.806 19.851 3.350 0.00 1.00 -ATOM 1101 C1V BOT 1 2 17.806 19.851 6.700 0.00 1.00 -ATOM 1102 C1W BOT 1 2 16.578 21.978 0.000 0.00 1.00 -ATOM 1103 C1X BOT 1 2 16.578 21.978 3.350 0.00 1.00 -ATOM 1104 C1Y BOT 1 2 16.578 21.978 6.700 0.00 1.00 -ATOM 1105 C1Z BOT 1 2 15.350 24.105 0.000 0.00 1.00 -ATOM 1106 C1a BOT 1 2 15.350 24.105 3.350 0.00 1.00 -ATOM 1107 C1b BOT 1 2 15.350 24.105 6.700 0.00 1.00 -ATOM 1108 C1c BOT 1 2 14.122 26.232 0.000 0.00 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22.718 19.851 6.700 0.00 1.00 -ATOM 1186 C2s BOT 1 2 21.490 21.978 0.000 0.00 1.00 -ATOM 1187 C2t BOT 1 2 21.490 21.978 3.350 0.00 1.00 -ATOM 1188 C2u BOT 1 2 21.490 21.978 6.700 0.00 1.00 -ATOM 1189 C2v BOT 1 2 20.262 24.105 0.000 0.00 1.00 -ATOM 1190 C2w BOT 1 2 20.262 24.105 3.350 0.00 1.00 -ATOM 1191 C2x BOT 1 2 20.262 24.105 6.700 0.00 1.00 -ATOM 1192 C2y BOT 1 2 19.034 26.232 0.000 0.00 1.00 -ATOM 1193 C2z BOT 1 2 19.034 26.232 3.350 0.00 1.00 -ATOM 1194 C30 BOT 1 2 19.034 26.232 6.700 0.00 1.00 -ATOM 1195 C31 BOT 1 2 17.806 28.359 0.000 0.00 1.00 -ATOM 1196 C32 BOT 1 2 17.806 28.359 3.350 0.00 1.00 -ATOM 1197 C33 BOT 1 2 17.806 28.359 6.700 0.00 1.00 -ATOM 1198 C34 BOT 1 2 16.578 0.709 0.000 0.00 1.00 -ATOM 1199 C35 BOT 1 2 16.578 0.709 3.350 0.00 1.00 -ATOM 1200 C36 BOT 1 2 16.578 0.709 6.700 0.00 1.00 -ATOM 1201 C37 BOT 1 2 15.350 2.836 0.000 0.00 1.00 -ATOM 1202 C38 BOT 1 2 15.350 2.836 3.350 0.00 1.00 -ATOM 1203 C39 BOT 1 2 15.350 2.836 6.700 0.00 1.00 -ATOM 1204 C3A BOT 1 2 14.122 4.963 0.000 0.00 1.00 -ATOM 1205 C3B BOT 1 2 14.122 4.963 3.350 0.00 1.00 -ATOM 1206 C3C BOT 1 2 14.122 4.963 6.700 0.00 1.00 -ATOM 1207 C3D BOT 1 2 12.894 7.090 0.000 0.00 1.00 -ATOM 1208 C3E BOT 1 2 12.894 7.090 3.350 0.00 1.00 -ATOM 1209 C3F BOT 1 2 12.894 7.090 6.700 0.00 1.00 -ATOM 1210 C3G BOT 1 2 11.666 9.217 0.000 0.00 1.00 -ATOM 1211 C3H BOT 1 2 11.666 9.217 3.350 0.00 1.00 -ATOM 1212 C3I BOT 1 2 11.666 9.217 6.700 0.00 1.00 -ATOM 1213 C3J BOT 1 2 10.438 11.344 0.000 0.00 1.00 -ATOM 1214 C3K BOT 1 2 10.438 11.344 3.350 0.00 1.00 -ATOM 1215 C3L BOT 1 2 10.438 11.344 6.700 0.00 1.00 -ATOM 1216 C3M BOT 1 2 9.210 13.471 0.000 0.00 1.00 -ATOM 1217 C3N BOT 1 2 9.210 13.471 3.350 0.00 1.00 -ATOM 1218 C3O BOT 1 2 9.210 13.471 6.700 0.00 1.00 -ATOM 1219 C3P BOT 1 2 27.630 15.597 0.000 0.00 1.00 -ATOM 1220 C3Q BOT 1 2 27.630 15.597 3.350 0.00 1.00 -ATOM 1221 C3R BOT 1 2 27.630 15.597 6.700 0.00 1.00 -ATOM 1222 C3S BOT 1 2 26.402 17.724 0.000 0.00 1.00 -ATOM 1223 C3T BOT 1 2 26.402 17.724 3.350 0.00 1.00 -ATOM 1224 C3U BOT 1 2 26.402 17.724 6.700 0.00 1.00 -ATOM 1225 C3V BOT 1 2 25.174 19.851 0.000 0.00 1.00 -ATOM 1226 C3W BOT 1 2 25.174 19.851 3.350 0.00 1.00 -ATOM 1227 C3X BOT 1 2 25.174 19.851 6.700 0.00 1.00 -ATOM 1228 C3Y BOT 1 2 23.946 21.978 0.000 0.00 1.00 -ATOM 1229 C3Z BOT 1 2 23.946 21.978 3.350 0.00 1.00 -ATOM 1230 C3a BOT 1 2 23.946 21.978 6.700 0.00 1.00 -ATOM 1231 C3b BOT 1 2 22.718 24.105 0.000 0.00 1.00 -ATOM 1232 C3c BOT 1 2 22.718 24.105 3.350 0.00 1.00 -ATOM 1233 C3d BOT 1 2 22.718 24.105 6.700 0.00 1.00 -ATOM 1234 C3e BOT 1 2 21.490 26.232 0.000 0.00 1.00 -ATOM 1235 C3f BOT 1 2 21.490 26.232 3.350 0.00 1.00 -ATOM 1236 C3g BOT 1 2 21.490 26.232 6.700 0.00 1.00 -ATOM 1237 C3h BOT 1 2 20.262 28.359 0.000 0.00 1.00 -ATOM 1238 C3i BOT 1 2 20.262 28.359 3.350 0.00 1.00 -ATOM 1239 C3j BOT 1 2 20.262 28.359 6.700 0.00 1.00 -ATOM 1240 C3k BOT 1 2 19.034 0.709 0.000 0.00 1.00 -ATOM 1241 C3l BOT 1 2 19.034 0.709 3.350 0.00 1.00 -ATOM 1242 C3m BOT 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0.614 15.597 0.000 0.00 1.00 -ATOM 1262 C46 BOT 1 2 0.614 15.597 3.350 0.00 1.00 -ATOM 1263 C47 BOT 1 2 0.614 15.597 6.700 0.00 1.00 -ATOM 1264 C48 BOT 1 2 28.858 17.724 0.000 0.00 1.00 -ATOM 1265 C49 BOT 1 2 28.858 17.724 3.350 0.00 1.00 -ATOM 1266 C4A BOT 1 2 28.858 17.724 6.700 0.00 1.00 -ATOM 1267 C4B BOT 1 2 27.630 19.851 0.000 0.00 1.00 -ATOM 1268 C4C BOT 1 2 27.630 19.851 3.350 0.00 1.00 -ATOM 1269 C4D BOT 1 2 27.630 19.851 6.700 0.00 1.00 -ATOM 1270 C4E BOT 1 2 26.402 21.978 0.000 0.00 1.00 -ATOM 1271 C4F BOT 1 2 26.402 21.978 3.350 0.00 1.00 -ATOM 1272 C4G BOT 1 2 26.402 21.978 6.700 0.00 1.00 -ATOM 1273 C4H BOT 1 2 25.174 24.105 0.000 0.00 1.00 -ATOM 1274 C4I BOT 1 2 25.174 24.105 3.350 0.00 1.00 -ATOM 1275 C4J BOT 1 2 25.174 24.105 6.700 0.00 1.00 -ATOM 1276 C4K BOT 1 2 23.946 26.232 0.000 0.00 1.00 -ATOM 1277 C4L BOT 1 2 23.946 26.232 3.350 0.00 1.00 -ATOM 1278 C4M BOT 1 2 23.946 26.232 6.700 0.00 1.00 -ATOM 1279 C4N BOT 1 2 22.718 28.359 0.000 0.00 1.00 -ATOM 1280 C4O BOT 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15.350 11.344 6.700 0.00 1.00 -ATOM 1300 C4i BOT 1 2 14.122 13.471 0.000 0.00 1.00 -ATOM 1301 C4j BOT 1 2 14.122 13.471 3.350 0.00 1.00 -ATOM 1302 C4k BOT 1 2 14.122 13.471 6.700 0.00 1.00 -ATOM 1303 C4l BOT 1 2 3.070 15.597 0.000 0.00 1.00 -ATOM 1304 C4m BOT 1 2 3.070 15.597 3.350 0.00 1.00 -ATOM 1305 C4n BOT 1 2 3.070 15.597 6.700 0.00 1.00 -ATOM 1306 C4o BOT 1 2 1.842 17.724 0.000 0.00 1.00 -ATOM 1307 C4p BOT 1 2 1.842 17.724 3.350 0.00 1.00 -ATOM 1308 C4q BOT 1 2 1.842 17.724 6.700 0.00 1.00 -ATOM 1309 C4r BOT 1 2 0.614 19.851 0.000 0.00 1.00 -ATOM 1310 C4s BOT 1 2 0.614 19.851 3.350 0.00 1.00 -ATOM 1311 C4t BOT 1 2 0.614 19.851 6.700 0.00 1.00 -ATOM 1312 C4u BOT 1 2 28.858 21.978 0.000 0.00 1.00 -ATOM 1313 C4v BOT 1 2 28.858 21.978 3.350 0.00 1.00 -ATOM 1314 C4w BOT 1 2 28.858 21.978 6.700 0.00 1.00 -ATOM 1315 C4x BOT 1 2 27.630 24.105 0.000 0.00 1.00 -ATOM 1316 C4y BOT 1 2 27.630 24.105 3.350 0.00 1.00 -ATOM 1317 C4z BOT 1 2 27.630 24.105 6.700 0.00 1.00 -ATOM 1318 C50 BOT 1 2 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9.217 3.350 0.00 1.00 -ATOM 1338 C5K BOT 1 2 19.034 9.217 6.700 0.00 1.00 -ATOM 1339 C5L BOT 1 2 17.806 11.344 0.000 0.00 1.00 -ATOM 1340 C5M BOT 1 2 17.806 11.344 3.350 0.00 1.00 -ATOM 1341 C5N BOT 1 2 17.806 11.344 6.700 0.00 1.00 -ATOM 1342 C5O BOT 1 2 16.578 13.471 0.000 0.00 1.00 -ATOM 1343 C5P BOT 1 2 16.578 13.471 3.350 0.00 1.00 -ATOM 1344 C5Q BOT 1 2 16.578 13.471 6.700 0.00 1.00 -ATOM 1345 C5R BOT 1 2 5.526 15.597 0.000 0.00 1.00 -ATOM 1346 C5S BOT 1 2 5.526 15.597 3.350 0.00 1.00 -ATOM 1347 C5T BOT 1 2 5.526 15.597 6.700 0.00 1.00 -ATOM 1348 C5U BOT 1 2 4.298 17.724 0.000 0.00 1.00 -ATOM 1349 C5V BOT 1 2 4.298 17.724 3.350 0.00 1.00 -ATOM 1350 C5W BOT 1 2 4.298 17.724 6.700 0.00 1.00 -ATOM 1351 C5X BOT 1 2 3.070 19.851 0.000 0.00 1.00 -ATOM 1352 C5Y BOT 1 2 3.070 19.851 3.350 0.00 1.00 -ATOM 1353 C5Z BOT 1 2 3.070 19.851 6.700 0.00 1.00 -ATOM 1354 C5a BOT 1 2 1.842 21.978 0.000 0.00 1.00 -ATOM 1355 C5b BOT 1 2 1.842 21.978 3.350 0.00 1.00 -ATOM 1356 C5c BOT 1 2 1.842 21.978 6.700 0.00 1.00 -ATOM 1357 C5d BOT 1 2 0.614 24.105 0.000 0.00 1.00 -ATOM 1358 C5e BOT 1 2 0.614 24.105 3.350 0.00 1.00 -ATOM 1359 C5f BOT 1 2 0.614 24.105 6.700 0.00 1.00 -ATOM 1360 C5g BOT 1 2 28.858 26.232 0.000 0.00 1.00 -ATOM 1361 C5h BOT 1 2 28.858 26.232 3.350 0.00 1.00 -ATOM 1362 C5i BOT 1 2 28.858 26.232 6.700 0.00 1.00 -ATOM 1363 C5j BOT 1 2 27.630 28.359 0.000 0.00 1.00 -ATOM 1364 C5k BOT 1 2 27.630 28.359 3.350 0.00 1.00 -ATOM 1365 C5l BOT 1 2 27.630 28.359 6.700 0.00 1.00 -ATOM 1366 C5m BOT 1 2 26.402 0.709 0.000 0.00 1.00 -ATOM 1367 C5n BOT 1 2 26.402 0.709 3.350 0.00 1.00 -ATOM 1368 C5o BOT 1 2 26.402 0.709 6.700 0.00 1.00 -ATOM 1369 C5p BOT 1 2 25.174 2.836 0.000 0.00 1.00 -ATOM 1370 C5q BOT 1 2 25.174 2.836 3.350 0.00 1.00 -ATOM 1371 C5r BOT 1 2 25.174 2.836 6.700 0.00 1.00 -ATOM 1372 C5s BOT 1 2 23.946 4.963 0.000 0.00 1.00 -ATOM 1373 C5t BOT 1 2 23.946 4.963 3.350 0.00 1.00 -ATOM 1374 C5u BOT 1 2 23.946 4.963 6.700 0.00 1.00 -ATOM 1375 C5v BOT 1 2 22.718 7.090 0.000 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1548 C8i BOT 1 2 3.070 9.926 6.700 0.00 1.00 -ATOM 1549 C8j BOT 1 2 1.842 12.053 0.000 0.00 1.00 -ATOM 1550 C8k BOT 1 2 1.842 12.053 3.350 0.00 1.00 -ATOM 1551 C8l BOT 1 2 1.842 12.053 6.700 0.00 1.00 -ATOM 1552 C8m BOT 1 2 0.614 14.180 0.000 0.00 1.00 -ATOM 1553 C8n BOT 1 2 0.614 14.180 3.350 0.00 1.00 -ATOM 1554 C8o BOT 1 2 0.614 14.180 6.700 0.00 1.00 -ATOM 1555 C8p BOT 1 2 19.034 16.306 0.000 0.00 1.00 -ATOM 1556 C8q BOT 1 2 19.034 16.306 3.350 0.00 1.00 -ATOM 1557 C8r BOT 1 2 19.034 16.306 6.700 0.00 1.00 -ATOM 1558 C8s BOT 1 2 17.806 18.433 0.000 0.00 1.00 -ATOM 1559 C8t BOT 1 2 17.806 18.433 3.350 0.00 1.00 -ATOM 1560 C8u BOT 1 2 17.806 18.433 6.700 0.00 1.00 -ATOM 1561 C8v BOT 1 2 16.578 20.560 0.000 0.00 1.00 -ATOM 1562 C8w BOT 1 2 16.578 20.560 3.350 0.00 1.00 -ATOM 1563 C8x BOT 1 2 16.578 20.560 6.700 0.00 1.00 -ATOM 1564 C8y BOT 1 2 15.350 22.687 0.000 0.00 1.00 -ATOM 1565 C8z BOT 1 2 15.350 22.687 3.350 0.00 1.00 -ATOM 1566 C90 BOT 1 2 15.350 22.687 6.700 0.00 1.00 -ATOM 1567 C91 BOT 1 2 14.122 24.814 0.000 0.00 1.00 -ATOM 1568 C92 BOT 1 2 14.122 24.814 3.350 0.00 1.00 -ATOM 1569 C93 BOT 1 2 14.122 24.814 6.700 0.00 1.00 -ATOM 1570 C94 BOT 1 2 12.894 26.941 0.000 0.00 1.00 -ATOM 1571 C95 BOT 1 2 12.894 26.941 3.350 0.00 1.00 -ATOM 1572 C96 BOT 1 2 12.894 26.941 6.700 0.00 1.00 -ATOM 1573 C97 BOT 1 2 11.666 29.068 0.000 0.00 1.00 -ATOM 1574 C98 BOT 1 2 11.666 29.068 3.350 0.00 1.00 -ATOM 1575 C99 BOT 1 2 11.666 29.068 6.700 0.00 1.00 -ATOM 1576 C9A BOT 1 2 10.438 1.418 0.000 0.00 1.00 -ATOM 1577 C9B BOT 1 2 10.438 1.418 3.350 0.00 1.00 -ATOM 1578 C9C BOT 1 2 10.438 1.418 6.700 0.00 1.00 -ATOM 1579 C9D BOT 1 2 9.210 3.545 0.000 0.00 1.00 -ATOM 1580 C9E BOT 1 2 9.210 3.545 3.350 0.00 1.00 -ATOM 1581 C9F BOT 1 2 9.210 3.545 6.700 0.00 1.00 -ATOM 1582 C9G BOT 1 2 7.982 5.672 0.000 0.00 1.00 -ATOM 1583 C9H BOT 1 2 7.982 5.672 3.350 0.00 1.00 -ATOM 1584 C9I BOT 1 2 7.982 5.672 6.700 0.00 1.00 -ATOM 1585 C9J BOT 1 2 6.754 7.799 0.000 0.00 1.00 -ATOM 1586 C9K BOT 1 2 6.754 7.799 3.350 0.00 1.00 -ATOM 1587 C9L BOT 1 2 6.754 7.799 6.700 0.00 1.00 -ATOM 1588 C9M BOT 1 2 5.526 9.926 0.000 0.00 1.00 -ATOM 1589 C9N BOT 1 2 5.526 9.926 3.350 0.00 1.00 -ATOM 1590 C9O BOT 1 2 5.526 9.926 6.700 0.00 1.00 -ATOM 1591 C9P BOT 1 2 4.298 12.053 0.000 0.00 1.00 -ATOM 1592 C9Q BOT 1 2 4.298 12.053 3.350 0.00 1.00 -ATOM 1593 C9R BOT 1 2 4.298 12.053 6.700 0.00 1.00 -ATOM 1594 C9S BOT 1 2 3.070 14.180 0.000 0.00 1.00 -ATOM 1595 C9T BOT 1 2 3.070 14.180 3.350 0.00 1.00 -ATOM 1596 C9U BOT 1 2 3.070 14.180 6.700 0.00 1.00 -ATOM 1597 C9V BOT 1 2 21.490 16.306 0.000 0.00 1.00 -ATOM 1598 C9W BOT 1 2 21.490 16.306 3.350 0.00 1.00 -ATOM 1599 C9X BOT 1 2 21.490 16.306 6.700 0.00 1.00 -ATOM 1600 C9Y BOT 1 2 20.262 18.433 0.000 0.00 1.00 -ATOM 1601 C9Z BOT 1 2 20.262 18.433 3.350 0.00 1.00 -ATOM 1602 C9a BOT 1 2 20.262 18.433 6.700 0.00 1.00 -ATOM 1603 C9b BOT 1 2 19.034 20.560 0.000 0.00 1.00 -ATOM 1604 C9c BOT 1 2 19.034 20.560 3.350 0.00 1.00 -ATOM 1605 C9d BOT 1 2 19.034 20.560 6.700 0.00 1.00 -ATOM 1606 C9e BOT 1 2 17.806 22.687 0.000 0.00 1.00 -ATOM 1607 C9f BOT 1 2 17.806 22.687 3.350 0.00 1.00 -ATOM 1608 C9g BOT 1 2 17.806 22.687 6.700 0.00 1.00 -ATOM 1609 C9h BOT 1 2 16.578 24.814 0.000 0.00 1.00 -ATOM 1610 C9i BOT 1 2 16.578 24.814 3.350 0.00 1.00 -ATOM 1611 C9j BOT 1 2 16.578 24.814 6.700 0.00 1.00 -ATOM 1612 C9k BOT 1 2 15.350 26.941 0.000 0.00 1.00 -ATOM 1613 C9l BOT 1 2 15.350 26.941 3.350 0.00 1.00 -ATOM 1614 C9m BOT 1 2 15.350 26.941 6.700 0.00 1.00 -ATOM 1615 C9n BOT 1 2 14.122 29.068 0.000 0.00 1.00 -ATOM 1616 C9o BOT 1 2 14.122 29.068 3.350 0.00 1.00 -ATOM 1617 C9p BOT 1 2 14.122 29.068 6.700 0.00 1.00 -ATOM 1618 C9q BOT 1 2 12.894 1.418 0.000 0.00 1.00 -ATOM 1619 C9r BOT 1 2 12.894 1.418 3.350 0.00 1.00 -ATOM 1620 C9s BOT 1 2 12.894 1.418 6.700 0.00 1.00 -ATOM 1621 C9t BOT 1 2 11.666 3.545 0.000 0.00 1.00 -ATOM 1622 C9u BOT 1 2 11.666 3.545 3.350 0.00 1.00 -ATOM 1623 C9v BOT 1 2 11.666 3.545 6.700 0.00 1.00 -ATOM 1624 C9w BOT 1 2 10.438 5.672 0.000 0.00 1.00 -ATOM 1625 C9x BOT 1 2 10.438 5.672 3.350 0.00 1.00 -ATOM 1626 C9y BOT 1 2 10.438 5.672 6.700 0.00 1.00 -ATOM 1627 C9z BOT 1 2 9.210 7.799 0.000 0.00 1.00 -ATOM 1628 CA0 BOT 1 2 9.210 7.799 3.350 0.00 1.00 -ATOM 1629 CA1 BOT 1 2 9.210 7.799 6.700 0.00 1.00 -ATOM 1630 CA2 BOT 1 2 7.982 9.926 0.000 0.00 1.00 -ATOM 1631 CA3 BOT 1 2 7.982 9.926 3.350 0.00 1.00 -ATOM 1632 CA4 BOT 1 2 7.982 9.926 6.700 0.00 1.00 -ATOM 1633 CA5 BOT 1 2 6.754 12.053 0.000 0.00 1.00 -ATOM 1634 CA6 BOT 1 2 6.754 12.053 3.350 0.00 1.00 -ATOM 1635 CA7 BOT 1 2 6.754 12.053 6.700 0.00 1.00 -ATOM 1636 CA8 BOT 1 2 5.526 14.180 0.000 0.00 1.00 -ATOM 1637 CA9 BOT 1 2 5.526 14.180 3.350 0.00 1.00 -ATOM 1638 CAA BOT 1 2 5.526 14.180 6.700 0.00 1.00 -ATOM 1639 CAB BOT 1 2 23.946 16.306 0.000 0.00 1.00 -ATOM 1640 CAC BOT 1 2 23.946 16.306 3.350 0.00 1.00 -ATOM 1641 CAD BOT 1 2 23.946 16.306 6.700 0.00 1.00 -ATOM 1642 CAE BOT 1 2 22.718 18.433 0.000 0.00 1.00 -ATOM 1643 CAF BOT 1 2 22.718 18.433 3.350 0.00 1.00 -ATOM 1644 CAG BOT 1 2 22.718 18.433 6.700 0.00 1.00 -ATOM 1645 CAH BOT 1 2 21.490 20.560 0.000 0.00 1.00 -ATOM 1646 CAI BOT 1 2 21.490 20.560 3.350 0.00 1.00 -ATOM 1647 CAJ BOT 1 2 21.490 20.560 6.700 0.00 1.00 -ATOM 1648 CAK BOT 1 2 20.262 22.687 0.000 0.00 1.00 -ATOM 1649 CAL BOT 1 2 20.262 22.687 3.350 0.00 1.00 -ATOM 1650 CAM BOT 1 2 20.262 22.687 6.700 0.00 1.00 -ATOM 1651 CAN BOT 1 2 19.034 24.814 0.000 0.00 1.00 -ATOM 1652 CAO BOT 1 2 19.034 24.814 3.350 0.00 1.00 -ATOM 1653 CAP BOT 1 2 19.034 24.814 6.700 0.00 1.00 -ATOM 1654 CAQ BOT 1 2 17.806 26.941 0.000 0.00 1.00 -ATOM 1655 CAR BOT 1 2 17.806 26.941 3.350 0.00 1.00 -ATOM 1656 CAS BOT 1 2 17.806 26.941 6.700 0.00 1.00 -ATOM 1657 CAT BOT 1 2 16.578 29.068 0.000 0.00 1.00 -ATOM 1658 CAU BOT 1 2 16.578 29.068 3.350 0.00 1.00 -ATOM 1659 CAV BOT 1 2 16.578 29.068 6.700 0.00 1.00 -ATOM 1660 CAW BOT 1 2 15.350 1.418 0.000 0.00 1.00 -ATOM 1661 CAX BOT 1 2 15.350 1.418 3.350 0.00 1.00 -ATOM 1662 CAY BOT 1 2 15.350 1.418 6.700 0.00 1.00 -ATOM 1663 CAZ BOT 1 2 14.122 3.545 0.000 0.00 1.00 -ATOM 1664 CAa BOT 1 2 14.122 3.545 3.350 0.00 1.00 -ATOM 1665 CAb BOT 1 2 14.122 3.545 6.700 0.00 1.00 -ATOM 1666 CAc BOT 1 2 12.894 5.672 0.000 0.00 1.00 -ATOM 1667 CAd BOT 1 2 12.894 5.672 3.350 0.00 1.00 -ATOM 1668 CAe BOT 1 2 12.894 5.672 6.700 0.00 1.00 -ATOM 1669 CAf BOT 1 2 11.666 7.799 0.000 0.00 1.00 -ATOM 1670 CAg BOT 1 2 11.666 7.799 3.350 0.00 1.00 -ATOM 1671 CAh BOT 1 2 11.666 7.799 6.700 0.00 1.00 -ATOM 1672 CAi BOT 1 2 10.438 9.926 0.000 0.00 1.00 -ATOM 1673 CAj BOT 1 2 10.438 9.926 3.350 0.00 1.00 -ATOM 1674 CAk BOT 1 2 10.438 9.926 6.700 0.00 1.00 -ATOM 1675 CAl BOT 1 2 9.210 12.053 0.000 0.00 1.00 -ATOM 1676 CAm BOT 1 2 9.210 12.053 3.350 0.00 1.00 -ATOM 1677 CAn BOT 1 2 9.210 12.053 6.700 0.00 1.00 -ATOM 1678 CAo BOT 1 2 7.982 14.180 0.000 0.00 1.00 -ATOM 1679 CAp BOT 1 2 7.982 14.180 3.350 0.00 1.00 -ATOM 1680 CAq BOT 1 2 7.982 14.180 6.700 0.00 1.00 -ATOM 1681 CAr BOT 1 2 26.402 16.306 0.000 0.00 1.00 -ATOM 1682 CAs BOT 1 2 26.402 16.306 3.350 0.00 1.00 -ATOM 1683 CAt BOT 1 2 26.402 16.306 6.700 0.00 1.00 -ATOM 1684 CAu BOT 1 2 25.174 18.433 0.000 0.00 1.00 -ATOM 1685 CAv BOT 1 2 25.174 18.433 3.350 0.00 1.00 -ATOM 1686 CAw BOT 1 2 25.174 18.433 6.700 0.00 1.00 -ATOM 1687 CAx BOT 1 2 23.946 20.560 0.000 0.00 1.00 -ATOM 1688 CAy BOT 1 2 23.946 20.560 3.350 0.00 1.00 -ATOM 1689 CAz BOT 1 2 23.946 20.560 6.700 0.00 1.00 -ATOM 1690 CB0 BOT 1 2 22.718 22.687 0.000 0.00 1.00 -ATOM 1691 CB1 BOT 1 2 22.718 22.687 3.350 0.00 1.00 -ATOM 1692 CB2 BOT 1 2 22.718 22.687 6.700 0.00 1.00 -ATOM 1693 CB3 BOT 1 2 21.490 24.814 0.000 0.00 1.00 -ATOM 1694 CB4 BOT 1 2 21.490 24.814 3.350 0.00 1.00 -ATOM 1695 CB5 BOT 1 2 21.490 24.814 6.700 0.00 1.00 -ATOM 1696 CB6 BOT 1 2 20.262 26.941 0.000 0.00 1.00 -ATOM 1697 CB7 BOT 1 2 20.262 26.941 3.350 0.00 1.00 -ATOM 1698 CB8 BOT 1 2 20.262 26.941 6.700 0.00 1.00 -ATOM 1699 CB9 BOT 1 2 19.034 29.068 0.000 0.00 1.00 -ATOM 1700 CBA BOT 1 2 19.034 29.068 3.350 0.00 1.00 -ATOM 1701 CBB BOT 1 2 19.034 29.068 6.700 0.00 1.00 -ATOM 1702 CBC BOT 1 2 17.806 1.418 0.000 0.00 1.00 -ATOM 1703 CBD BOT 1 2 17.806 1.418 3.350 0.00 1.00 -ATOM 1704 CBE BOT 1 2 17.806 1.418 6.700 0.00 1.00 -ATOM 1705 CBF BOT 1 2 16.578 3.545 0.000 0.00 1.00 -ATOM 1706 CBG BOT 1 2 16.578 3.545 3.350 0.00 1.00 -ATOM 1707 CBH BOT 1 2 16.578 3.545 6.700 0.00 1.00 -ATOM 1708 CBI BOT 1 2 15.350 5.672 0.000 0.00 1.00 -ATOM 1709 CBJ BOT 1 2 15.350 5.672 3.350 0.00 1.00 -ATOM 1710 CBK BOT 1 2 15.350 5.672 6.700 0.00 1.00 -ATOM 1711 CBL BOT 1 2 14.122 7.799 0.000 0.00 1.00 -ATOM 1712 CBM BOT 1 2 14.122 7.799 3.350 0.00 1.00 -ATOM 1713 CBN BOT 1 2 14.122 7.799 6.700 0.00 1.00 -ATOM 1714 CBO BOT 1 2 12.894 9.926 0.000 0.00 1.00 -ATOM 1715 CBP BOT 1 2 12.894 9.926 3.350 0.00 1.00 -ATOM 1716 CBQ BOT 1 2 12.894 9.926 6.700 0.00 1.00 -ATOM 1717 CBR BOT 1 2 11.666 12.053 0.000 0.00 1.00 -ATOM 1718 CBS BOT 1 2 11.666 12.053 3.350 0.00 1.00 -ATOM 1719 CBT BOT 1 2 11.666 12.053 6.700 0.00 1.00 -ATOM 1720 CBU BOT 1 2 10.438 14.180 0.000 0.00 1.00 -ATOM 1721 CBV BOT 1 2 10.438 14.180 3.350 0.00 1.00 -ATOM 1722 CBW BOT 1 2 10.438 14.180 6.700 0.00 1.00 -ATOM 1723 CBX BOT 1 2 28.858 16.306 0.000 0.00 1.00 -ATOM 1724 CBY BOT 1 2 28.858 16.306 3.350 0.00 1.00 -ATOM 1725 CBZ BOT 1 2 28.858 16.306 6.700 0.00 1.00 -ATOM 1726 CBa BOT 1 2 27.630 18.433 0.000 0.00 1.00 -ATOM 1727 CBb BOT 1 2 27.630 18.433 3.350 0.00 1.00 -ATOM 1728 CBc BOT 1 2 27.630 18.433 6.700 0.00 1.00 -ATOM 1729 CBd BOT 1 2 26.402 20.560 0.000 0.00 1.00 -ATOM 1730 CBe BOT 1 2 26.402 20.560 3.350 0.00 1.00 -ATOM 1731 CBf BOT 1 2 26.402 20.560 6.700 0.00 1.00 -ATOM 1732 CBg BOT 1 2 25.174 22.687 0.000 0.00 1.00 -ATOM 1733 CBh BOT 1 2 25.174 22.687 3.350 0.00 1.00 -ATOM 1734 CBi BOT 1 2 25.174 22.687 6.700 0.00 1.00 -ATOM 1735 CBj BOT 1 2 23.946 24.814 0.000 0.00 1.00 -ATOM 1736 CBk BOT 1 2 23.946 24.814 3.350 0.00 1.00 -ATOM 1737 CBl BOT 1 2 23.946 24.814 6.700 0.00 1.00 -ATOM 1738 CBm BOT 1 2 22.718 26.941 0.000 0.00 1.00 -ATOM 1739 CBn BOT 1 2 22.718 26.941 3.350 0.00 1.00 -ATOM 1740 CBo BOT 1 2 22.718 26.941 6.700 0.00 1.00 -ATOM 1741 CBp BOT 1 2 21.490 29.068 0.000 0.00 1.00 -ATOM 1742 CBq BOT 1 2 21.490 29.068 3.350 0.00 1.00 -ATOM 1743 CBr BOT 1 2 21.490 29.068 6.700 0.00 1.00 -ATOM 1744 CBs BOT 1 2 20.262 1.418 0.000 0.00 1.00 -ATOM 1745 CBt BOT 1 2 20.262 1.418 3.350 0.00 1.00 -ATOM 1746 CBu BOT 1 2 20.262 1.418 6.700 0.00 1.00 -ATOM 1747 CBv BOT 1 2 19.034 3.545 0.000 0.00 1.00 -ATOM 1748 CBw BOT 1 2 19.034 3.545 3.350 0.00 1.00 -ATOM 1749 CBx BOT 1 2 19.034 3.545 6.700 0.00 1.00 -ATOM 1750 CBy BOT 1 2 17.806 5.672 0.000 0.00 1.00 -ATOM 1751 CBz BOT 1 2 17.806 5.672 3.350 0.00 1.00 -ATOM 1752 CC0 BOT 1 2 17.806 5.672 6.700 0.00 1.00 -ATOM 1753 CC1 BOT 1 2 16.578 7.799 0.000 0.00 1.00 -ATOM 1754 CC2 BOT 1 2 16.578 7.799 3.350 0.00 1.00 -ATOM 1755 CC3 BOT 1 2 16.578 7.799 6.700 0.00 1.00 -ATOM 1756 CC4 BOT 1 2 15.350 9.926 0.000 0.00 1.00 -ATOM 1757 CC5 BOT 1 2 15.350 9.926 3.350 0.00 1.00 -ATOM 1758 CC6 BOT 1 2 15.350 9.926 6.700 0.00 1.00 -ATOM 1759 CC7 BOT 1 2 14.122 12.053 0.000 0.00 1.00 -ATOM 1760 CC8 BOT 1 2 14.122 12.053 3.350 0.00 1.00 -ATOM 1761 CC9 BOT 1 2 14.122 12.053 6.700 0.00 1.00 -ATOM 1762 CCA BOT 1 2 12.894 14.180 0.000 0.00 1.00 -ATOM 1763 CCB BOT 1 2 12.894 14.180 3.350 0.00 1.00 -ATOM 1764 CCC BOT 1 2 12.894 14.180 6.700 0.00 1.00 -ATOM 1765 CCD BOT 1 2 1.842 16.306 0.000 0.00 1.00 -ATOM 1766 CCE BOT 1 2 1.842 16.306 3.350 0.00 1.00 -ATOM 1767 CCF BOT 1 2 1.842 16.306 6.700 0.00 1.00 -ATOM 1768 CCG BOT 1 2 0.614 18.433 0.000 0.00 1.00 -ATOM 1769 CCH BOT 1 2 0.614 18.433 3.350 0.00 1.00 -ATOM 1770 CCI BOT 1 2 0.614 18.433 6.700 0.00 1.00 -ATOM 1771 CCJ BOT 1 2 28.858 20.560 0.000 0.00 1.00 -ATOM 1772 CCK BOT 1 2 28.858 20.560 3.350 0.00 1.00 -ATOM 1773 CCL BOT 1 2 28.858 20.560 6.700 0.00 1.00 -ATOM 1774 CCM BOT 1 2 27.630 22.687 0.000 0.00 1.00 -ATOM 1775 CCN BOT 1 2 27.630 22.687 3.350 0.00 1.00 -ATOM 1776 CCO BOT 1 2 27.630 22.687 6.700 0.00 1.00 -ATOM 1777 CCP BOT 1 2 26.402 24.814 0.000 0.00 1.00 -ATOM 1778 CCQ BOT 1 2 26.402 24.814 3.350 0.00 1.00 -ATOM 1779 CCR BOT 1 2 26.402 24.814 6.700 0.00 1.00 -ATOM 1780 CCS BOT 1 2 25.174 26.941 0.000 0.00 1.00 -ATOM 1781 CCT BOT 1 2 25.174 26.941 3.350 0.00 1.00 -ATOM 1782 CCU BOT 1 2 25.174 26.941 6.700 0.00 1.00 -ATOM 1783 CCV BOT 1 2 23.946 29.068 0.000 0.00 1.00 -ATOM 1784 CCW BOT 1 2 23.946 29.068 3.350 0.00 1.00 -ATOM 1785 CCX BOT 1 2 23.946 29.068 6.700 0.00 1.00 -ATOM 1786 CCY BOT 1 2 22.718 1.418 0.000 0.00 1.00 -ATOM 1787 CCZ BOT 1 2 22.718 1.418 3.350 0.00 1.00 -ATOM 1788 CCa BOT 1 2 22.718 1.418 6.700 0.00 1.00 -ATOM 1789 CCb BOT 1 2 21.490 3.545 0.000 0.00 1.00 -ATOM 1790 CCc BOT 1 2 21.490 3.545 3.350 0.00 1.00 -ATOM 1791 CCd BOT 1 2 21.490 3.545 6.700 0.00 1.00 -ATOM 1792 CCe BOT 1 2 20.262 5.672 0.000 0.00 1.00 -ATOM 1793 CCf BOT 1 2 20.262 5.672 3.350 0.00 1.00 -ATOM 1794 CCg BOT 1 2 20.262 5.672 6.700 0.00 1.00 -ATOM 1795 CCh BOT 1 2 19.034 7.799 0.000 0.00 1.00 -ATOM 1796 CCi BOT 1 2 19.034 7.799 3.350 0.00 1.00 -ATOM 1797 CCj BOT 1 2 19.034 7.799 6.700 0.00 1.00 -ATOM 1798 CCk BOT 1 2 17.806 9.926 0.000 0.00 1.00 -ATOM 1799 CCl BOT 1 2 17.806 9.926 3.350 0.00 1.00 -ATOM 1800 CCm BOT 1 2 17.806 9.926 6.700 0.00 1.00 -ATOM 1801 CCn BOT 1 2 16.578 12.053 0.000 0.00 1.00 -ATOM 1802 CCo BOT 1 2 16.578 12.053 3.350 0.00 1.00 -ATOM 1803 CCp BOT 1 2 16.578 12.053 6.700 0.00 1.00 -ATOM 1804 CCq BOT 1 2 15.350 14.180 0.000 0.00 1.00 -ATOM 1805 CCr BOT 1 2 15.350 14.180 3.350 0.00 1.00 -ATOM 1806 CCs BOT 1 2 15.350 14.180 6.700 0.00 1.00 -ATOM 1807 CCt BOT 1 2 4.298 16.306 0.000 0.00 1.00 -ATOM 1808 CCu BOT 1 2 4.298 16.306 3.350 0.00 1.00 -ATOM 1809 CCv BOT 1 2 4.298 16.306 6.700 0.00 1.00 -ATOM 1810 CCw BOT 1 2 3.070 18.433 0.000 0.00 1.00 -ATOM 1811 CCx BOT 1 2 3.070 18.433 3.350 0.00 1.00 -ATOM 1812 CCy BOT 1 2 3.070 18.433 6.700 0.00 1.00 -ATOM 1813 CCz BOT 1 2 1.842 20.560 0.000 0.00 1.00 -ATOM 1814 CD0 BOT 1 2 1.842 20.560 3.350 0.00 1.00 -ATOM 1815 CD1 BOT 1 2 1.842 20.560 6.700 0.00 1.00 -ATOM 1816 CD2 BOT 1 2 0.614 22.687 0.000 0.00 1.00 -ATOM 1817 CD3 BOT 1 2 0.614 22.687 3.350 0.00 1.00 -ATOM 1818 CD4 BOT 1 2 0.614 22.687 6.700 0.00 1.00 -ATOM 1819 CD5 BOT 1 2 28.858 24.814 0.000 0.00 1.00 -ATOM 1820 CD6 BOT 1 2 28.858 24.814 3.350 0.00 1.00 -ATOM 1821 CD7 BOT 1 2 28.858 24.814 6.700 0.00 1.00 -ATOM 1822 CD8 BOT 1 2 27.630 26.941 0.000 0.00 1.00 -ATOM 1823 CD9 BOT 1 2 27.630 26.941 3.350 0.00 1.00 -ATOM 1824 CDA BOT 1 2 27.630 26.941 6.700 0.00 1.00 -ATOM 1825 CDB BOT 1 2 26.402 29.068 0.000 0.00 1.00 -ATOM 1826 CDC BOT 1 2 26.402 29.068 3.350 0.00 1.00 -ATOM 1827 CDD BOT 1 2 26.402 29.068 6.700 0.00 1.00 -ATOM 1828 CDE BOT 1 2 25.174 1.418 0.000 0.00 1.00 -ATOM 1829 CDF BOT 1 2 25.174 1.418 3.350 0.00 1.00 -ATOM 1830 CDG BOT 1 2 25.174 1.418 6.700 0.00 1.00 -ATOM 1831 CDH BOT 1 2 23.946 3.545 0.000 0.00 1.00 -ATOM 1832 CDI BOT 1 2 23.946 3.545 3.350 0.00 1.00 -ATOM 1833 CDJ BOT 1 2 23.946 3.545 6.700 0.00 1.00 -ATOM 1834 CDK BOT 1 2 22.718 5.672 0.000 0.00 1.00 -ATOM 1835 CDL BOT 1 2 22.718 5.672 3.350 0.00 1.00 -ATOM 1836 CDM BOT 1 2 22.718 5.672 6.700 0.00 1.00 -ATOM 1837 CDN BOT 1 2 21.490 7.799 0.000 0.00 1.00 -ATOM 1838 CDO BOT 1 2 21.490 7.799 3.350 0.00 1.00 -ATOM 1839 CDP BOT 1 2 21.490 7.799 6.700 0.00 1.00 -ATOM 1840 CDQ BOT 1 2 20.262 9.926 0.000 0.00 1.00 -ATOM 1841 CDR BOT 1 2 20.262 9.926 3.350 0.00 1.00 -ATOM 1842 CDS BOT 1 2 20.262 9.926 6.700 0.00 1.00 -ATOM 1843 CDT BOT 1 2 19.034 12.053 0.000 0.00 1.00 -ATOM 1844 CDU BOT 1 2 19.034 12.053 3.350 0.00 1.00 -ATOM 1845 CDV BOT 1 2 19.034 12.053 6.700 0.00 1.00 -ATOM 1846 CDW BOT 1 2 17.806 14.180 0.000 0.00 1.00 -ATOM 1847 CDX BOT 1 2 17.806 14.180 3.350 0.00 1.00 -ATOM 1848 CDY BOT 1 2 17.806 14.180 6.700 0.00 1.00 -ATOM 1849 CDZ BOT 1 2 6.754 16.306 0.000 0.00 1.00 -ATOM 1850 CDa BOT 1 2 6.754 16.306 3.350 0.00 1.00 -ATOM 1851 CDb BOT 1 2 6.754 16.306 6.700 0.00 1.00 -ATOM 1852 CDc BOT 1 2 5.526 18.433 0.000 0.00 1.00 -ATOM 1853 CDd BOT 1 2 5.526 18.433 3.350 0.00 1.00 -ATOM 1854 CDe BOT 1 2 5.526 18.433 6.700 0.00 1.00 -ATOM 1855 CDf BOT 1 2 4.298 20.560 0.000 0.00 1.00 -ATOM 1856 CDg BOT 1 2 4.298 20.560 3.350 0.00 1.00 -ATOM 1857 CDh BOT 1 2 4.298 20.560 6.700 0.00 1.00 -ATOM 1858 CDi BOT 1 2 3.070 22.687 0.000 0.00 1.00 -ATOM 1859 CDj BOT 1 2 3.070 22.687 3.350 0.00 1.00 -ATOM 1860 CDk BOT 1 2 3.070 22.687 6.700 0.00 1.00 -ATOM 1861 CDl BOT 1 2 1.842 24.814 0.000 0.00 1.00 -ATOM 1862 CDm BOT 1 2 1.842 24.814 3.350 0.00 1.00 -ATOM 1863 CDn BOT 1 2 1.842 24.814 6.700 0.00 1.00 -ATOM 1864 CDo BOT 1 2 0.614 26.941 0.000 0.00 1.00 -ATOM 1865 CDp BOT 1 2 0.614 26.941 3.350 0.00 1.00 -ATOM 1866 CDq BOT 1 2 0.614 26.941 6.700 0.00 1.00 -ATOM 1867 CDr BOT 1 2 28.858 29.068 0.000 0.00 1.00 -ATOM 1868 CDs BOT 1 2 28.858 29.068 3.350 0.00 1.00 -ATOM 1869 CDt BOT 1 2 28.858 29.068 6.700 0.00 1.00 -ATOM 1870 CDu BOT 1 2 27.630 1.418 0.000 0.00 1.00 -ATOM 1871 CDv BOT 1 2 27.630 1.418 3.350 0.00 1.00 -ATOM 1872 CDw BOT 1 2 27.630 1.418 6.700 0.00 1.00 -ATOM 1873 CDx BOT 1 2 26.402 3.545 0.000 0.00 1.00 -ATOM 1874 CDy BOT 1 2 26.402 3.545 3.350 0.00 1.00 -ATOM 1875 CDz BOT 1 2 26.402 3.545 6.700 0.00 1.00 -ATOM 1876 CE0 BOT 1 2 25.174 5.672 0.000 0.00 1.00 -ATOM 1877 CE1 BOT 1 2 25.174 5.672 3.350 0.00 1.00 -ATOM 1878 CE2 BOT 1 2 25.174 5.672 6.700 0.00 1.00 -ATOM 1879 CE3 BOT 1 2 23.946 7.799 0.000 0.00 1.00 -ATOM 1880 CE4 BOT 1 2 23.946 7.799 3.350 0.00 1.00 -ATOM 1881 CE5 BOT 1 2 23.946 7.799 6.700 0.00 1.00 -ATOM 1882 CE6 BOT 1 2 22.718 9.926 0.000 0.00 1.00 -ATOM 1883 CE7 BOT 1 2 22.718 9.926 3.350 0.00 1.00 -ATOM 1884 CE8 BOT 1 2 22.718 9.926 6.700 0.00 1.00 -ATOM 1885 CE9 BOT 1 2 21.490 12.053 0.000 0.00 1.00 -ATOM 1886 CEA BOT 1 2 21.490 12.053 3.350 0.00 1.00 -ATOM 1887 CEB BOT 1 2 21.490 12.053 6.700 0.00 1.00 -ATOM 1888 CEC BOT 1 2 20.262 14.180 0.000 0.00 1.00 -ATOM 1889 CED BOT 1 2 20.262 14.180 3.350 0.00 1.00 -ATOM 1890 CEE BOT 1 2 20.262 14.180 6.700 0.00 1.00 -ATOM 1891 CEF BOT 1 2 9.210 16.306 0.000 0.00 1.00 -ATOM 1892 CEG BOT 1 2 9.210 16.306 3.350 0.00 1.00 -ATOM 1893 CEH BOT 1 2 9.210 16.306 6.700 0.00 1.00 -ATOM 1894 CEI BOT 1 2 7.982 18.433 0.000 0.00 1.00 -ATOM 1895 CEJ BOT 1 2 7.982 18.433 3.350 0.00 1.00 -ATOM 1896 CEK BOT 1 2 7.982 18.433 6.700 0.00 1.00 -ATOM 1897 CEL BOT 1 2 6.754 20.560 0.000 0.00 1.00 -ATOM 1898 CEM BOT 1 2 6.754 20.560 3.350 0.00 1.00 -ATOM 1899 CEN BOT 1 2 6.754 20.560 6.700 0.00 1.00 -ATOM 1900 CEO BOT 1 2 5.526 22.687 0.000 0.00 1.00 -ATOM 1901 CEP BOT 1 2 5.526 22.687 3.350 0.00 1.00 -ATOM 1902 CEQ BOT 1 2 5.526 22.687 6.700 0.00 1.00 -ATOM 1903 CER BOT 1 2 4.298 24.814 0.000 0.00 1.00 -ATOM 1904 CES BOT 1 2 4.298 24.814 3.350 0.00 1.00 -ATOM 1905 CET BOT 1 2 4.298 24.814 6.700 0.00 1.00 -ATOM 1906 CEU BOT 1 2 3.070 26.941 0.000 0.00 1.00 -ATOM 1907 CEV BOT 1 2 3.070 26.941 3.350 0.00 1.00 -ATOM 1908 CEW BOT 1 2 3.070 26.941 6.700 0.00 1.00 -ATOM 1909 CEX BOT 1 2 1.842 29.068 0.000 0.00 1.00 -ATOM 1910 CEY BOT 1 2 1.842 29.068 3.350 0.00 1.00 -ATOM 1911 CEZ BOT 1 2 1.842 29.068 6.700 0.00 1.00 -ATOM 1912 CEa BOT 1 2 0.614 1.418 0.000 0.00 1.00 -ATOM 1913 CEb BOT 1 2 0.614 1.418 3.350 0.00 1.00 -ATOM 1914 CEc BOT 1 2 0.614 1.418 6.700 0.00 1.00 -ATOM 1915 CEd BOT 1 2 28.858 3.545 0.000 0.00 1.00 -ATOM 1916 CEe BOT 1 2 28.858 3.545 3.350 0.00 1.00 -ATOM 1917 CEf BOT 1 2 28.858 3.545 6.700 0.00 1.00 -ATOM 1918 CEg BOT 1 2 27.630 5.672 0.000 0.00 1.00 -ATOM 1919 CEh BOT 1 2 27.630 5.672 3.350 0.00 1.00 -ATOM 1920 CEi BOT 1 2 27.630 5.672 6.700 0.00 1.00 -ATOM 1921 CEj BOT 1 2 26.402 7.799 0.000 0.00 1.00 -ATOM 1922 CEk BOT 1 2 26.402 7.799 3.350 0.00 1.00 -ATOM 1923 CEl BOT 1 2 26.402 7.799 6.700 0.00 1.00 -ATOM 1924 CEm BOT 1 2 25.174 9.926 0.000 0.00 1.00 -ATOM 1925 CEn BOT 1 2 25.174 9.926 3.350 0.00 1.00 -ATOM 1926 CEo BOT 1 2 25.174 9.926 6.700 0.00 1.00 -ATOM 1927 CEp BOT 1 2 23.946 12.053 0.000 0.00 1.00 -ATOM 1928 CEq BOT 1 2 23.946 12.053 3.350 0.00 1.00 -ATOM 1929 CEr BOT 1 2 23.946 12.053 6.700 0.00 1.00 -ATOM 1930 CEs BOT 1 2 22.718 14.180 0.000 0.00 1.00 -ATOM 1931 CEt BOT 1 2 22.718 14.180 3.350 0.00 1.00 -ATOM 1932 CEu BOT 1 2 22.718 14.180 6.700 0.00 1.00 -ATOM 1933 CEv BOT 1 2 11.666 16.306 0.000 0.00 1.00 -ATOM 1934 CEw BOT 1 2 11.666 16.306 3.350 0.00 1.00 -ATOM 1935 CEx BOT 1 2 11.666 16.306 6.700 0.00 1.00 -ATOM 1936 CEy BOT 1 2 10.438 18.433 0.000 0.00 1.00 -ATOM 1937 CEz BOT 1 2 10.438 18.433 3.350 0.00 1.00 -ATOM 1938 CF0 BOT 1 2 10.438 18.433 6.700 0.00 1.00 -ATOM 1939 CF1 BOT 1 2 9.210 20.560 0.000 0.00 1.00 -ATOM 1940 CF2 BOT 1 2 9.210 20.560 3.350 0.00 1.00 -ATOM 1941 CF3 BOT 1 2 9.210 20.560 6.700 0.00 1.00 -ATOM 1942 CF4 BOT 1 2 7.982 22.687 0.000 0.00 1.00 -ATOM 1943 CF5 BOT 1 2 7.982 22.687 3.350 0.00 1.00 -ATOM 1944 CF6 BOT 1 2 7.982 22.687 6.700 0.00 1.00 -ATOM 1945 CF7 BOT 1 2 6.754 24.814 0.000 0.00 1.00 -ATOM 1946 CF8 BOT 1 2 6.754 24.814 3.350 0.00 1.00 -ATOM 1947 CF9 BOT 1 2 6.754 24.814 6.700 0.00 1.00 -ATOM 1948 CFA BOT 1 2 5.526 26.941 0.000 0.00 1.00 -ATOM 1949 CFB BOT 1 2 5.526 26.941 3.350 0.00 1.00 -ATOM 1950 CFC BOT 1 2 5.526 26.941 6.700 0.00 1.00 -ATOM 1951 CFD BOT 1 2 4.298 29.068 0.000 0.00 1.00 -ATOM 1952 CFE BOT 1 2 4.298 29.068 3.350 0.00 1.00 -ATOM 1953 CFF BOT 1 2 4.298 29.068 6.700 0.00 1.00 -ATOM 1954 CFG BOT 1 2 3.070 1.418 0.000 0.00 1.00 -ATOM 1955 CFH BOT 1 2 3.070 1.418 3.350 0.00 1.00 -ATOM 1956 CFI BOT 1 2 3.070 1.418 6.700 0.00 1.00 -ATOM 1957 CFJ BOT 1 2 1.842 3.545 0.000 0.00 1.00 -ATOM 1958 CFK BOT 1 2 1.842 3.545 3.350 0.00 1.00 -ATOM 1959 CFL BOT 1 2 1.842 3.545 6.700 0.00 1.00 -ATOM 1960 CFM BOT 1 2 0.614 5.672 0.000 0.00 1.00 -ATOM 1961 CFN BOT 1 2 0.614 5.672 3.350 0.00 1.00 -ATOM 1962 CFO BOT 1 2 0.614 5.672 6.700 0.00 1.00 -ATOM 1963 CFP BOT 1 2 28.858 7.799 0.000 0.00 1.00 -ATOM 1964 CFQ BOT 1 2 28.858 7.799 3.350 0.00 1.00 -ATOM 1965 CFR BOT 1 2 28.858 7.799 6.700 0.00 1.00 -ATOM 1966 CFS BOT 1 2 27.630 9.926 0.000 0.00 1.00 -ATOM 1967 CFT BOT 1 2 27.630 9.926 3.350 0.00 1.00 -ATOM 1968 CFU BOT 1 2 27.630 9.926 6.700 0.00 1.00 -ATOM 1969 CFV BOT 1 2 26.402 12.053 0.000 0.00 1.00 -ATOM 1970 CFW BOT 1 2 26.402 12.053 3.350 0.00 1.00 -ATOM 1971 CFX BOT 1 2 26.402 12.053 6.700 0.00 1.00 -ATOM 1972 CFY BOT 1 2 25.174 14.180 0.000 0.00 1.00 -ATOM 1973 CFZ BOT 1 2 25.174 14.180 3.350 0.00 1.00 -ATOM 1974 CFa BOT 1 2 25.174 14.180 6.700 0.00 1.00 -ATOM 1975 CFb BOT 1 2 14.122 16.306 0.000 0.00 1.00 -ATOM 1976 CFc BOT 1 2 14.122 16.306 3.350 0.00 1.00 -ATOM 1977 CFd BOT 1 2 14.122 16.306 6.700 0.00 1.00 -ATOM 1978 CFe BOT 1 2 12.894 18.433 0.000 0.00 1.00 -ATOM 1979 CFf BOT 1 2 12.894 18.433 3.350 0.00 1.00 -ATOM 1980 CFg BOT 1 2 12.894 18.433 6.700 0.00 1.00 -ATOM 1981 CFh BOT 1 2 11.666 20.560 0.000 0.00 1.00 -ATOM 1982 CFi BOT 1 2 11.666 20.560 3.350 0.00 1.00 -ATOM 1983 CFj BOT 1 2 11.666 20.560 6.700 0.00 1.00 -ATOM 1984 CFk BOT 1 2 10.438 22.687 0.000 0.00 1.00 -ATOM 1985 CFl BOT 1 2 10.438 22.687 3.350 0.00 1.00 -ATOM 1986 CFm BOT 1 2 10.438 22.687 6.700 0.00 1.00 -ATOM 1987 CFn BOT 1 2 9.210 24.814 0.000 0.00 1.00 -ATOM 1988 CFo BOT 1 2 9.210 24.814 3.350 0.00 1.00 -ATOM 1989 CFp BOT 1 2 9.210 24.814 6.700 0.00 1.00 -ATOM 1990 CFq BOT 1 2 7.982 26.941 0.000 0.00 1.00 -ATOM 1991 CFr BOT 1 2 7.982 26.941 3.350 0.00 1.00 -ATOM 1992 CFs BOT 1 2 7.982 26.941 6.700 0.00 1.00 -ATOM 1993 CFt BOT 1 2 6.754 29.068 0.000 0.00 1.00 -ATOM 1994 CFu BOT 1 2 6.754 29.068 3.350 0.00 1.00 -ATOM 1995 CFv BOT 1 2 6.754 29.068 6.700 0.00 1.00 -ATOM 1996 CFw BOT 1 2 5.526 1.418 0.000 0.00 1.00 -ATOM 1997 CFx BOT 1 2 5.526 1.418 3.350 0.00 1.00 -ATOM 1998 CFy BOT 1 2 5.526 1.418 6.700 0.00 1.00 -ATOM 1999 CFz BOT 1 2 4.298 3.545 0.000 0.00 1.00 -ATOM 2000 CG0 BOT 1 2 4.298 3.545 3.350 0.00 1.00 -ATOM 2001 CG1 BOT 1 2 4.298 3.545 6.700 0.00 1.00 -ATOM 2002 CG2 BOT 1 2 3.070 5.672 0.000 0.00 1.00 -ATOM 2003 CG3 BOT 1 2 3.070 5.672 3.350 0.00 1.00 -ATOM 2004 CG4 BOT 1 2 3.070 5.672 6.700 0.00 1.00 -ATOM 2005 CG5 BOT 1 2 1.842 7.799 0.000 0.00 1.00 -ATOM 2006 CG6 BOT 1 2 1.842 7.799 3.350 0.00 1.00 -ATOM 2007 CG7 BOT 1 2 1.842 7.799 6.700 0.00 1.00 -ATOM 2008 CG8 BOT 1 2 0.614 9.926 0.000 0.00 1.00 -ATOM 2009 CG9 BOT 1 2 0.614 9.926 3.350 0.00 1.00 -ATOM 2010 CGA BOT 1 2 0.614 9.926 6.700 0.00 1.00 -ATOM 2011 CGB BOT 1 2 28.858 12.053 0.000 0.00 1.00 -ATOM 2012 CGC BOT 1 2 28.858 12.053 3.350 0.00 1.00 -ATOM 2013 CGD BOT 1 2 28.858 12.053 6.700 0.00 1.00 -ATOM 2014 CGE BOT 1 2 27.630 14.180 0.000 0.00 1.00 -ATOM 2015 CGF BOT 1 2 27.630 14.180 3.350 0.00 1.00 -ATOM 2016 CGG BOT 1 2 27.630 14.180 6.700 0.00 1.00 -ATOM 2017 O1 H2O 1 3 22.844 10.565 23.681 0.00 0.00 -ATOM 2018 H1 H2O 1 3 23.535 11.277 23.813 0.00 0.00 -ATOM 2019 H2 H2O 1 3 22.235 10.542 24.474 0.00 0.00 -ATOM 2020 O1 H2O 2 4 27.001 27.681 19.735 0.00 0.00 -ATOM 2021 H1 H2O 2 4 26.612 28.600 19.663 0.00 0.00 -ATOM 2022 H2 H2O 2 4 26.782 27.296 20.631 0.00 0.00 -ATOM 2023 O1 H2O 3 5 10.875 17.926 22.612 0.00 0.00 -ATOM 2024 H1 H2O 3 5 10.914 18.314 21.691 0.00 0.00 -ATOM 2025 H2 H2O 3 5 9.920 17.802 22.882 0.00 0.00 -ATOM 2026 O1 H2O 4 6 28.964 25.931 23.661 0.00 0.00 -ATOM 2027 H1 H2O 4 6 29.043 26.306 24.585 0.00 0.00 -ATOM 2028 H2 H2O 4 6 29.291 24.986 23.656 0.00 0.00 -ATOM 2029 O1 H2O 5 7 17.298 23.499 19.738 0.00 0.00 -ATOM 2030 H1 H2O 5 7 17.774 22.635 19.902 0.00 0.00 -ATOM 2031 H2 H2O 5 7 17.384 23.749 18.774 0.00 0.00 -ATOM 2032 O1 H2O 6 8 14.102 14.036 20.700 0.00 0.00 -ATOM 2033 H1 H2O 6 8 14.412 14.041 21.650 0.00 0.00 -ATOM 2034 H2 H2O 6 8 13.237 14.533 20.629 0.00 0.00 -ATOM 2035 O1 H2O 7 9 25.368 5.663 22.832 0.00 0.00 -ATOM 2036 H1 H2O 7 9 25.949 6.456 23.012 0.00 0.00 -ATOM 2037 H2 H2O 7 9 24.470 5.805 23.250 0.00 0.00 -ATOM 2038 O1 H2O 8 10 22.292 22.344 23.245 0.00 0.00 -ATOM 2039 H1 H2O 8 10 23.259 22.142 23.400 0.00 0.00 -ATOM 2040 H2 H2O 8 10 21.848 21.551 22.829 0.00 0.00 -ATOM 2041 O1 H2O 9 11 27.784 10.126 23.155 0.00 0.00 -ATOM 2042 H1 H2O 9 11 26.853 9.916 23.453 0.00 0.00 -ATOM 2043 H2 H2O 9 11 27.958 11.105 23.268 0.00 0.00 -ATOM 2044 O1 H2O 0 12 11.136 20.427 23.598 0.00 0.00 -ATOM 2045 H1 H2O 0 12 10.643 21.181 23.164 0.00 0.00 -ATOM 2046 H2 H2O 0 12 10.582 19.596 23.549 0.00 0.00 -ATOM 2047 O1 H2O 1 13 13.634 28.414 21.171 0.00 0.00 -ATOM 2048 H1 H2O 1 13 12.847 28.927 20.830 0.00 0.00 -ATOM 2049 H2 H2O 1 13 14.478 28.872 20.892 0.00 0.00 -ATOM 2050 O1 H2O 2 14 9.972 2.204 23.486 0.00 0.00 -ATOM 2051 H1 H2O 2 14 10.814 2.502 23.038 0.00 0.00 -ATOM 2052 H2 H2O 2 14 9.315 2.957 23.496 0.00 0.00 -ATOM 2053 O1 H2O 3 15 0.110 20.336 20.042 0.00 0.00 -ATOM 2054 H1 H2O 3 15 1.075 20.503 19.837 0.00 0.00 -ATOM 2055 H2 H2O 3 15 -0.067 19.352 20.033 0.00 0.00 -ATOM 2056 O1 H2O 4 16 27.363 7.279 23.651 0.00 0.00 -ATOM 2057 H1 H2O 4 16 28.230 7.734 23.852 0.00 0.00 -ATOM 2058 H2 H2O 4 16 26.610 7.813 24.035 0.00 0.00 -ATOM 2059 O1 H2O 5 17 18.471 25.730 23.008 0.00 0.00 -ATOM 2060 H1 H2O 5 17 19.374 25.309 23.094 0.00 0.00 -ATOM 2061 H2 H2O 5 17 17.765 25.038 23.160 0.00 0.00 -ATOM 2062 O1 H2O 6 18 0.610 7.901 20.792 0.00 0.00 -ATOM 2063 H1 H2O 6 18 1.141 8.284 21.549 0.00 0.00 -ATOM 2064 H2 H2O 6 18 -0.165 8.500 20.593 0.00 0.00 -ATOM 2065 O1 H2O 7 19 13.583 17.409 23.535 0.00 0.00 -ATOM 2066 H1 H2O 7 19 13.949 18.330 23.671 0.00 0.00 -ATOM 2067 H2 H2O 7 19 12.628 17.470 23.244 0.00 0.00 -ATOM 2068 O1 H2O 8 20 28.300 2.011 23.880 0.00 0.00 -ATOM 2069 H1 H2O 8 20 27.896 1.750 24.757 0.00 0.00 -ATOM 2070 H2 H2O 8 20 28.127 2.981 23.710 0.00 0.00 -ATOM 2071 O1 H2O 9 21 18.749 3.756 22.935 0.00 0.00 -ATOM 2072 H1 H2O 9 21 19.726 3.953 22.857 0.00 0.00 -ATOM 2073 H2 H2O 9 21 18.613 2.769 23.016 0.00 0.00 -ATOM 2074 O1 H2O 0 22 24.040 22.392 20.005 0.00 0.00 -ATOM 2075 H1 H2O 0 22 23.046 22.462 19.922 0.00 0.00 -ATOM 2076 H2 H2O 0 22 24.451 23.290 19.849 0.00 0.00 -ATOM 2077 O1 H2O 1 23 28.247 15.774 23.447 0.00 0.00 -ATOM 2078 H1 H2O 1 23 28.960 16.463 23.313 0.00 0.00 -ATOM 2079 H2 H2O 1 23 27.355 16.223 23.494 0.00 0.00 -ATOM 2080 O1 H2O 2 24 2.646 10.666 23.639 0.00 0.00 -ATOM 2081 H1 H2O 2 24 2.097 11.244 23.035 0.00 0.00 -ATOM 2082 H2 H2O 2 24 2.557 10.988 24.581 0.00 0.00 -ATOM 2083 O1 H2O 3 25 12.601 2.916 22.481 0.00 0.00 -ATOM 2084 H1 H2O 3 25 13.247 3.601 22.816 0.00 0.00 -ATOM 2085 H2 H2O 3 25 12.838 2.664 21.543 0.00 0.00 -ATOM 2086 O1 H2O 4 26 27.295 24.762 19.799 0.00 0.00 -ATOM 2087 H1 H2O 4 26 26.300 24.659 19.809 0.00 0.00 -ATOM 2088 H2 H2O 4 26 27.530 25.721 19.641 0.00 0.00 -ATOM 2089 O1 H2O 5 27 7.673 1.825 21.241 0.00 0.00 -ATOM 2090 H1 H2O 5 27 8.618 2.097 21.059 0.00 0.00 -ATOM 2091 H2 H2O 5 27 7.617 1.398 22.144 0.00 0.00 -ATOM 2092 O1 H2O 6 28 3.276 3.723 19.794 0.00 0.00 -ATOM 2093 H1 H2O 6 28 2.955 3.780 18.849 0.00 0.00 -ATOM 2094 H2 H2O 6 28 3.943 2.983 19.876 0.00 0.00 -ATOM 2095 O1 H2O 7 29 19.936 18.551 20.189 0.00 0.00 -ATOM 2096 H1 H2O 7 29 20.550 18.979 19.525 0.00 0.00 -ATOM 2097 H2 H2O 7 29 19.011 18.912 20.069 0.00 0.00 -ATOM 2098 O1 H2O 8 30 15.369 0.425 20.544 0.00 0.00 -ATOM 2099 H1 H2O 8 30 14.537 0.701 20.063 0.00 0.00 -ATOM 2100 H2 H2O 8 30 15.615 1.126 21.214 0.00 0.00 -ATOM 2101 O1 H2O 9 31 3.864 8.315 19.817 0.00 0.00 -ATOM 2102 H1 H2O 9 31 4.254 7.481 19.426 0.00 0.00 -ATOM 2103 H2 H2O 9 31 3.438 8.103 20.696 0.00 0.00 -ATOM 2104 O1 H2O 0 32 29.409 17.519 19.838 0.00 0.00 -ATOM 2105 H1 H2O 0 32 28.449 17.749 19.995 0.00 0.00 -ATOM 2106 H2 H2O 0 32 29.503 16.529 19.732 0.00 0.00 -ATOM 2107 O1 H2O 1 33 18.536 5.562 19.748 0.00 0.00 -ATOM 2108 H1 H2O 1 33 18.081 4.676 19.660 0.00 0.00 -ATOM 2109 H2 H2O 1 33 17.865 6.295 19.636 0.00 0.00 -ATOM 2110 O1 H2O 2 34 26.230 0.485 19.714 0.00 0.00 -ATOM 2111 H1 H2O 2 34 25.660 1.286 19.532 0.00 0.00 -ATOM 2112 H2 H2O 2 34 27.148 0.782 19.975 0.00 0.00 -ATOM 2113 O1 H2O 3 35 21.518 8.479 22.722 0.00 0.00 -ATOM 2114 H1 H2O 3 35 22.085 9.278 22.921 0.00 0.00 -ATOM 2115 H2 H2O 3 35 21.964 7.657 23.076 0.00 0.00 -ATOM 2116 O1 H2O 4 36 12.705 14.850 23.350 0.00 0.00 -ATOM 2117 H1 H2O 4 36 13.161 15.709 23.583 0.00 0.00 -ATOM 2118 H2 H2O 4 36 13.375 14.108 23.339 0.00 0.00 -ATOM 2119 O1 H2O 5 37 21.751 4.484 20.326 0.00 0.00 -ATOM 2120 H1 H2O 5 37 22.209 3.823 19.732 0.00 0.00 -ATOM 2121 H2 H2O 5 37 20.865 4.728 19.931 0.00 0.00 -ATOM 2122 O1 H2O 6 38 16.293 15.752 22.417 0.00 0.00 -ATOM 2123 H1 H2O 6 38 15.879 16.232 23.191 0.00 0.00 -ATOM 2124 H2 H2O 6 38 16.003 16.185 21.564 0.00 0.00 -ATOM 2125 O1 H2O 7 39 9.395 24.951 21.365 0.00 0.00 -ATOM 2126 H1 H2O 7 39 9.172 24.338 20.607 0.00 0.00 -ATOM 2127 H2 H2O 7 39 8.735 25.702 21.393 0.00 0.00 -ATOM 2128 O1 H2O 8 40 8.869 7.733 20.338 0.00 0.00 -ATOM 2129 H1 H2O 8 40 9.837 7.971 20.252 0.00 0.00 -ATOM 2130 H2 H2O 8 40 8.661 6.959 19.740 0.00 0.00 -ATOM 2131 O1 H2O 9 41 27.817 12.732 23.199 0.00 0.00 -ATOM 2132 H1 H2O 9 41 28.577 13.296 23.524 0.00 0.00 -ATOM 2133 H2 H2O 9 41 27.360 13.195 22.439 0.00 0.00 -ATOM 2134 O1 H2O 0 42 24.082 0.526 22.518 0.00 0.00 -ATOM 2135 H1 H2O 0 42 24.749 -0.186 22.301 0.00 0.00 -ATOM 2136 H2 H2O 0 42 24.556 1.327 22.884 0.00 0.00 -ATOM 2137 O1 H2O 1 43 19.007 22.366 23.063 0.00 0.00 -ATOM 2138 H1 H2O 1 43 19.753 23.007 23.245 0.00 0.00 -ATOM 2139 H2 H2O 1 43 19.122 21.551 23.631 0.00 0.00 -ATOM 2140 O1 H2O 2 44 28.677 5.785 19.628 0.00 0.00 -ATOM 2141 H1 H2O 2 44 29.075 6.608 20.035 0.00 0.00 -ATOM 2142 H2 H2O 2 44 27.710 5.945 19.431 0.00 0.00 -ATOM 2143 O1 H2O 3 45 4.464 19.058 23.298 0.00 0.00 -ATOM 2144 H1 H2O 3 45 3.680 19.495 22.857 0.00 0.00 -ATOM 2145 H2 H2O 3 45 4.286 18.079 23.400 0.00 0.00 -ATOM 2146 O1 H2O 4 46 20.254 27.596 19.851 0.00 0.00 -ATOM 2147 H1 H2O 4 46 20.780 28.038 19.124 0.00 0.00 -ATOM 2148 H2 H2O 4 46 19.321 27.955 19.853 0.00 0.00 -ATOM 2149 O1 H2O 5 47 29.119 20.571 22.887 0.00 0.00 -ATOM 2150 H1 H2O 5 47 28.919 20.669 21.912 0.00 0.00 -ATOM 2151 H2 H2O 5 47 28.285 20.313 23.374 0.00 0.00 -ATOM 2152 O1 H2O 6 48 5.518 7.240 22.869 0.00 0.00 -ATOM 2153 H1 H2O 6 48 5.893 7.987 22.321 0.00 0.00 -ATOM 2154 H2 H2O 6 48 6.206 6.930 23.525 0.00 0.00 -ATOM 2155 O1 H2O 7 49 24.995 19.698 19.745 0.00 0.00 -ATOM 2156 H1 H2O 7 49 24.339 19.185 20.299 0.00 0.00 -ATOM 2157 H2 H2O 7 49 24.715 20.657 19.701 0.00 0.00 -ATOM 2158 O1 H2O 8 50 12.506 26.894 23.088 0.00 0.00 -ATOM 2159 H1 H2O 8 50 12.933 27.001 22.190 0.00 0.00 -ATOM 2160 H2 H2O 8 50 12.223 27.790 23.432 0.00 0.00 -ATOM 2161 O1 H2O 9 51 13.650 7.150 22.654 0.00 0.00 -ATOM 2162 H1 H2O 9 51 13.699 7.805 21.900 0.00 0.00 -ATOM 2163 H2 H2O 9 51 12.735 7.174 23.057 0.00 0.00 -ATOM 2164 O1 H2O 0 52 26.581 19.620 23.742 0.00 0.00 -ATOM 2165 H1 H2O 0 52 25.870 20.206 23.352 0.00 0.00 -ATOM 2166 H2 H2O 0 52 26.796 19.929 24.669 0.00 0.00 -ATOM 2167 O1 H2O 1 53 18.597 19.749 23.661 0.00 0.00 -ATOM 2168 H1 H2O 1 53 19.314 19.060 23.560 0.00 0.00 -ATOM 2169 H2 H2O 1 53 17.769 19.439 23.194 0.00 0.00 -ATOM 2170 O1 H2O 2 54 0.409 8.796 23.781 0.00 0.00 -ATOM 2171 H1 H2O 2 54 1.186 9.403 23.951 0.00 0.00 -ATOM 2172 H2 H2O 2 54 -0.365 9.332 23.445 0.00 0.00 -ATOM 2173 O1 H2O 3 55 11.272 10.488 23.362 0.00 0.00 -ATOM 2174 H1 H2O 3 55 11.587 10.462 22.413 0.00 0.00 -ATOM 2175 H2 H2O 3 55 12.062 10.525 23.974 0.00 0.00 -ATOM 2176 O1 H2O 4 56 2.148 0.617 20.218 0.00 0.00 -ATOM 2177 H1 H2O 4 56 1.982 1.147 21.050 0.00 0.00 -ATOM 2178 H2 H2O 4 56 3.124 0.636 20.000 0.00 0.00 -ATOM 2179 O1 H2O 5 57 14.572 23.512 20.909 0.00 0.00 -ATOM 2180 H1 H2O 5 57 15.564 23.481 20.781 0.00 0.00 -ATOM 2181 H2 H2O 5 57 14.217 24.376 20.553 0.00 0.00 -ATOM 2182 O1 H2O 6 58 16.397 23.850 23.178 0.00 0.00 -ATOM 2183 H1 H2O 6 58 16.982 23.080 23.433 0.00 0.00 -ATOM 2184 H2 H2O 6 58 15.448 23.637 23.409 0.00 0.00 -ATOM 2185 O1 H2O 7 59 26.893 18.031 20.052 0.00 0.00 -ATOM 2186 H1 H2O 7 59 26.492 17.454 20.763 0.00 0.00 -ATOM 2187 H2 H2O 7 59 26.186 18.626 19.668 0.00 0.00 -ATOM 2188 O1 H2O 8 60 21.079 10.789 19.826 0.00 0.00 -ATOM 2189 H1 H2O 8 60 21.296 11.297 18.993 0.00 0.00 -ATOM 2190 H2 H2O 8 60 21.381 9.841 19.727 0.00 0.00 -ATOM 2191 O1 H2O 9 61 5.075 1.267 23.446 0.00 0.00 -ATOM 2192 H1 H2O 9 61 5.988 1.007 23.762 0.00 0.00 -ATOM 2193 H2 H2O 9 61 4.471 0.470 23.480 0.00 0.00 -ATOM 2194 O1 H2O 0 62 1.417 14.428 23.608 0.00 0.00 -ATOM 2195 H1 H2O 0 62 1.260 15.361 23.933 0.00 0.00 -ATOM 2196 H2 H2O 0 62 2.399 14.243 23.585 0.00 0.00 -ATOM 2197 O1 H2O 1 63 25.186 9.117 23.420 0.00 0.00 -ATOM 2198 H1 H2O 1 63 24.603 9.785 23.881 0.00 0.00 -ATOM 2199 H2 H2O 1 63 25.075 9.203 22.430 0.00 0.00 -ATOM 2200 O1 H2O 2 64 18.919 21.477 20.465 0.00 0.00 -ATOM 2201 H1 H2O 2 64 19.066 21.655 21.438 0.00 0.00 -ATOM 2202 H2 H2O 2 64 18.206 20.784 20.357 0.00 0.00 -ATOM 2203 O1 H2O 3 65 21.412 22.462 19.833 0.00 0.00 -ATOM 2204 H1 H2O 3 65 21.305 23.437 20.025 0.00 0.00 -ATOM 2205 H2 H2O 3 65 20.533 22.000 19.953 0.00 0.00 -ATOM 2206 O1 H2O 4 66 1.000 17.283 23.150 0.00 0.00 -ATOM 2207 H1 H2O 4 66 1.389 18.023 23.699 0.00 0.00 -ATOM 2208 H2 H2O 4 66 1.642 17.032 22.426 0.00 0.00 -ATOM 2209 O1 H2O 5 67 3.695 28.834 23.780 0.00 0.00 -ATOM 2210 H1 H2O 5 67 4.317 28.126 24.113 0.00 0.00 -ATOM 2211 H2 H2O 5 67 2.815 28.420 23.544 0.00 0.00 -ATOM 2212 O1 H2O 6 68 16.007 29.141 23.878 0.00 0.00 -ATOM 2213 H1 H2O 6 68 15.751 28.179 23.773 0.00 0.00 -ATOM 2214 H2 H2O 6 68 15.205 29.670 24.156 0.00 0.00 -ATOM 2215 O1 H2O 7 69 24.930 8.941 20.509 0.00 0.00 -ATOM 2216 H1 H2O 7 69 24.000 8.667 20.266 0.00 0.00 -ATOM 2217 H2 H2O 7 69 25.026 9.930 20.400 0.00 0.00 -ATOM 2218 O1 H2O 8 70 14.163 10.427 23.761 0.00 0.00 -ATOM 2219 H1 H2O 8 70 14.711 10.180 22.963 0.00 0.00 -ATOM 2220 H2 H2O 8 70 13.956 9.604 24.291 0.00 0.00 -ATOM 2221 O1 H2O 9 71 19.610 10.562 23.112 0.00 0.00 -ATOM 2222 H1 H2O 9 71 19.965 11.494 23.042 0.00 0.00 -ATOM 2223 H2 H2O 9 71 20.268 9.924 22.713 0.00 0.00 -ATOM 2224 O1 H2O 0 72 2.560 18.225 19.825 0.00 0.00 -ATOM 2225 H1 H2O 0 72 2.779 19.184 20.008 0.00 0.00 -ATOM 2226 H2 H2O 0 72 1.569 18.119 19.744 0.00 0.00 -ATOM 2227 O1 H2O 1 73 11.135 29.377 23.530 0.00 0.00 -ATOM 2228 H1 H2O 1 73 10.821 30.286 23.255 0.00 0.00 -ATOM 2229 H2 H2O 1 73 10.345 28.779 23.667 0.00 0.00 -ATOM 2230 O1 H2O 2 74 23.630 27.827 20.130 0.00 0.00 -ATOM 2231 H1 H2O 2 74 23.660 27.671 21.117 0.00 0.00 -ATOM 2232 H2 H2O 2 74 23.097 28.652 19.938 0.00 0.00 -ATOM 2233 O1 H2O 3 75 20.395 17.704 22.971 0.00 0.00 -ATOM 2234 H1 H2O 3 75 20.440 16.772 23.331 0.00 0.00 -ATOM 2235 H2 H2O 3 75 20.211 17.673 21.988 0.00 0.00 -ATOM 2236 O1 H2O 4 76 23.006 13.117 21.066 0.00 0.00 -ATOM 2237 H1 H2O 4 76 22.332 12.381 21.000 0.00 0.00 -ATOM 2238 H2 H2O 4 76 22.734 13.754 21.787 0.00 0.00 -ATOM 2239 O1 H2O 5 77 9.758 12.404 20.787 0.00 0.00 -ATOM 2240 H1 H2O 5 77 10.167 13.054 21.428 0.00 0.00 -ATOM 2241 H2 H2O 5 77 10.413 11.673 20.591 0.00 0.00 -ATOM 2242 O1 H2O 6 78 27.602 21.885 20.634 0.00 0.00 -ATOM 2243 H1 H2O 6 78 27.642 22.661 20.005 0.00 0.00 -ATOM 2244 H2 H2O 6 78 28.329 21.236 20.411 0.00 0.00 -ATOM 2245 O1 H2O 7 79 8.393 4.645 22.876 0.00 0.00 -ATOM 2246 H1 H2O 7 79 7.541 4.172 23.099 0.00 0.00 -ATOM 2247 H2 H2O 7 79 8.324 5.603 23.154 0.00 0.00 -ATOM 2248 O1 H2O 8 80 6.738 23.472 23.347 0.00 0.00 -ATOM 2249 H1 H2O 8 80 5.744 23.365 23.353 0.00 0.00 -ATOM 2250 H2 H2O 8 80 7.165 22.645 23.711 0.00 0.00 -ATOM 2251 O1 H2O 9 81 27.876 0.100 22.167 0.00 0.00 -ATOM 2252 H1 H2O 9 81 28.170 0.036 21.213 0.00 0.00 -ATOM 2253 H2 H2O 9 81 27.946 1.049 22.474 0.00 0.00 -ATOM 2254 O1 H2O 0 82 23.631 27.339 22.766 0.00 0.00 -ATOM 2255 H1 H2O 0 82 24.158 27.931 23.375 0.00 0.00 -ATOM 2256 H2 H2O 0 82 22.670 27.615 22.781 0.00 0.00 -ATOM 2257 O1 H2O 1 83 17.249 9.078 19.799 0.00 0.00 -ATOM 2258 H1 H2O 1 83 16.686 9.745 20.289 0.00 0.00 -ATOM 2259 H2 H2O 1 83 17.953 8.722 20.413 0.00 0.00 -ATOM 2260 O1 H2O 2 84 0.484 23.999 20.218 0.00 0.00 -ATOM 2261 H1 H2O 2 84 -0.378 24.397 19.903 0.00 0.00 -ATOM 2262 H2 H2O 2 84 0.318 23.458 21.043 0.00 0.00 -ATOM 2263 O1 H2O 3 85 27.960 2.720 20.196 0.00 0.00 -ATOM 2264 H1 H2O 3 85 27.634 3.528 19.704 0.00 0.00 -ATOM 2265 H2 H2O 3 85 28.908 2.863 20.480 0.00 0.00 -ATOM 2266 O1 H2O 4 86 9.995 2.507 19.853 0.00 0.00 -ATOM 2267 H1 H2O 4 86 10.065 3.505 19.843 0.00 0.00 -ATOM 2268 H2 H2O 4 86 9.570 2.194 19.003 0.00 0.00 -ATOM 2269 O1 H2O 5 87 29.119 29.444 19.646 0.00 0.00 -ATOM 2270 H1 H2O 5 87 28.762 28.530 19.455 0.00 0.00 -ATOM 2271 H2 H2O 5 87 30.117 29.431 19.589 0.00 0.00 -ATOM 2272 O1 H2O 6 88 18.915 14.904 22.828 0.00 0.00 -ATOM 2273 H1 H2O 6 88 19.435 15.161 22.014 0.00 0.00 -ATOM 2274 H2 H2O 6 88 17.974 15.230 22.740 0.00 0.00 -ATOM 2275 O1 H2O 7 89 22.613 15.513 20.019 0.00 0.00 -ATOM 2276 H1 H2O 7 89 21.701 15.607 19.619 0.00 0.00 -ATOM 2277 H2 H2O 7 89 22.792 14.550 20.219 0.00 0.00 -ATOM 2278 O1 H2O 8 90 6.746 12.612 20.532 0.00 0.00 -ATOM 2279 H1 H2O 8 90 6.175 11.880 20.162 0.00 0.00 -ATOM 2280 H2 H2O 8 90 7.707 12.338 20.492 0.00 0.00 -ATOM 2281 O1 H2O 9 91 7.455 20.350 20.443 0.00 0.00 -ATOM 2282 H1 H2O 9 91 7.779 19.455 20.139 0.00 0.00 -ATOM 2283 H2 H2O 9 91 6.539 20.258 20.834 0.00 0.00 -ATOM 2284 O1 H2O 0 92 0.302 14.716 19.736 0.00 0.00 -ATOM 2285 H1 H2O 0 92 -0.394 14.740 20.454 0.00 0.00 -ATOM 2286 H2 H2O 0 92 0.410 13.777 19.408 0.00 0.00 -ATOM 2287 O1 H2O 1 93 7.858 22.796 19.703 0.00 0.00 -ATOM 2288 H1 H2O 1 93 7.501 21.904 19.978 0.00 0.00 -ATOM 2289 H2 H2O 1 93 7.999 22.808 18.713 0.00 0.00 -ATOM 2290 O1 H2O 2 94 25.082 11.480 20.383 0.00 0.00 -ATOM 2291 H1 H2O 2 94 24.228 12.000 20.390 0.00 0.00 -ATOM 2292 H2 H2O 2 94 25.857 12.111 20.413 0.00 0.00 -ATOM 2293 O1 H2O 3 95 25.116 12.145 23.440 0.00 0.00 -ATOM 2294 H1 H2O 3 95 24.949 12.126 22.454 0.00 0.00 -ATOM 2295 H2 H2O 3 95 26.097 12.238 23.610 0.00 0.00 -ATOM 2296 O1 H2O 4 96 5.380 18.432 20.394 0.00 0.00 -ATOM 2297 H1 H2O 4 96 5.214 18.285 21.369 0.00 0.00 -ATOM 2298 H2 H2O 4 96 4.512 18.398 19.899 0.00 0.00 -ATOM 2299 O1 H2O 5 97 8.423 17.745 19.875 0.00 0.00 -ATOM 2300 H1 H2O 5 97 8.782 16.892 20.254 0.00 0.00 -ATOM 2301 H2 H2O 5 97 7.499 17.591 19.525 0.00 0.00 -ATOM 2302 O1 H2O 6 98 7.461 28.856 20.250 0.00 0.00 -ATOM 2303 H1 H2O 6 98 7.562 29.715 20.752 0.00 0.00 -ATOM 2304 H2 H2O 6 98 6.913 29.012 19.428 0.00 0.00 -ATOM 2305 O1 H2O 7 99 20.882 24.672 22.853 0.00 0.00 -ATOM 2306 H1 H2O 7 99 21.128 24.962 21.928 0.00 0.00 -ATOM 2307 H2 H2O 7 99 21.539 23.991 23.175 0.00 0.00 -ATOM 2308 O1 H2O 8 100 14.736 13.036 23.260 0.00 0.00 -ATOM 2309 H1 H2O 8 100 15.628 13.073 23.710 0.00 0.00 -ATOM 2310 H2 H2O 8 100 14.306 12.152 23.444 0.00 0.00 -ATOM 2311 O1 H2O 9 101 22.684 6.331 23.875 0.00 0.00 -ATOM 2312 H1 H2O 9 101 22.304 5.563 23.359 0.00 0.00 -ATOM 2313 H2 H2O 9 101 22.761 6.079 24.839 0.00 0.00 -ATOM 2314 O1 H2O 0 102 11.701 7.765 20.206 0.00 0.00 -ATOM 2315 H1 H2O 0 102 12.645 8.005 19.980 0.00 0.00 -ATOM 2316 H2 H2O 0 102 11.647 6.789 20.418 0.00 0.00 -ATOM 2317 O1 H2O 1 103 5.156 22.726 20.893 0.00 0.00 -ATOM 2318 H1 H2O 1 103 5.960 23.133 20.458 0.00 0.00 -ATOM 2319 H2 H2O 1 103 4.364 22.828 20.292 0.00 0.00 -ATOM 2320 O1 H2O 2 104 9.144 27.819 23.889 0.00 0.00 -ATOM 2321 H1 H2O 2 104 8.672 27.249 23.217 0.00 0.00 -ATOM 2322 H2 H2O 2 104 9.334 27.278 24.709 0.00 0.00 -ATOM 2323 O1 H2O 3 105 23.390 17.925 21.057 0.00 0.00 -ATOM 2324 H1 H2O 3 105 23.194 17.634 21.993 0.00 0.00 -ATOM 2325 H2 H2O 3 105 23.224 17.164 20.429 0.00 0.00 -ATOM 2326 O1 H2O 4 106 12.934 21.232 20.438 0.00 0.00 -ATOM 2327 H1 H2O 4 106 13.522 22.017 20.637 0.00 0.00 -ATOM 2328 H2 H2O 4 106 13.496 20.410 20.346 0.00 0.00 -ATOM 2329 O1 H2O 5 107 1.210 12.320 21.919 0.00 0.00 -ATOM 2330 H1 H2O 5 107 0.976 13.069 22.539 0.00 0.00 -ATOM 2331 H2 H2O 5 107 0.474 12.196 21.254 0.00 0.00 -ATOM 2332 O1 H2O 6 108 17.538 14.345 20.109 0.00 0.00 -ATOM 2333 H1 H2O 6 108 17.990 13.456 20.038 0.00 0.00 -ATOM 2334 H2 H2O 6 108 16.823 14.301 20.807 0.00 0.00 -ATOM 2335 O1 H2O 7 109 7.496 4.488 20.111 0.00 0.00 -ATOM 2336 H1 H2O 7 109 7.644 4.424 21.098 0.00 0.00 -ATOM 2337 H2 H2O 7 109 7.788 3.637 19.675 0.00 0.00 -ATOM 2338 O1 H2O 8 110 17.409 12.660 23.805 0.00 0.00 -ATOM 2339 H1 H2O 8 110 17.891 13.501 23.562 0.00 0.00 -ATOM 2340 H2 H2O 8 110 17.931 12.165 24.500 0.00 0.00 -ATOM 2341 O1 H2O 9 111 21.727 1.437 23.779 0.00 0.00 -ATOM 2342 H1 H2O 9 111 21.940 1.258 24.740 0.00 0.00 -ATOM 2343 H2 H2O 9 111 22.436 1.034 23.200 0.00 0.00 -ATOM 2344 O1 H2O 0 112 10.317 13.382 23.356 0.00 0.00 -ATOM 2345 H1 H2O 0 112 10.429 12.484 23.781 0.00 0.00 -ATOM 2346 H2 H2O 0 112 11.021 14.004 23.700 0.00 0.00 -ATOM 2347 O1 H2O 1 113 13.999 20.275 23.428 0.00 0.00 -ATOM 2348 H1 H2O 1 113 14.422 20.949 24.033 0.00 0.00 -ATOM 2349 H2 H2O 1 113 13.057 20.110 23.719 0.00 0.00 -ATOM 2350 O1 H2O 2 114 2.839 20.829 20.402 0.00 0.00 -ATOM 2351 H1 H2O 2 114 2.611 20.970 21.365 0.00 0.00 -ATOM 2352 H2 H2O 2 114 3.128 21.697 19.997 0.00 0.00 -ATOM 2353 O1 H2O 3 115 14.300 11.461 20.571 0.00 0.00 -ATOM 2354 H1 H2O 3 115 14.053 12.423 20.448 0.00 0.00 -ATOM 2355 H2 H2O 3 115 15.200 11.401 21.003 0.00 0.00 -ATOM 2356 O1 H2O 4 116 19.497 8.103 20.956 0.00 0.00 -ATOM 2357 H1 H2O 4 116 19.365 7.123 20.812 0.00 0.00 -ATOM 2358 H2 H2O 4 116 20.111 8.247 21.732 0.00 0.00 -ATOM 2359 O1 H2O 5 117 2.338 20.774 23.052 0.00 0.00 -ATOM 2360 H1 H2O 5 117 2.845 21.478 23.549 0.00 0.00 -ATOM 2361 H2 H2O 5 117 1.363 20.995 23.063 0.00 0.00 -ATOM 2362 O1 H2O 6 118 11.138 7.289 23.713 0.00 0.00 -ATOM 2363 H1 H2O 6 118 10.273 6.926 23.366 0.00 0.00 -ATOM 2364 H2 H2O 6 118 10.961 8.106 24.261 0.00 0.00 -ATOM 2365 O1 H2O 7 119 16.855 5.837 23.439 0.00 0.00 -ATOM 2366 H1 H2O 7 119 17.180 6.735 23.733 0.00 0.00 -ATOM 2367 H2 H2O 7 119 17.638 5.243 23.253 0.00 0.00 -ATOM 2368 O1 H2O 8 120 8.261 7.378 23.018 0.00 0.00 -ATOM 2369 H1 H2O 8 120 8.278 8.281 23.448 0.00 0.00 -ATOM 2370 H2 H2O 8 120 8.116 7.479 22.034 0.00 0.00 -ATOM 2371 O1 H2O 9 121 5.701 15.104 20.169 0.00 0.00 -ATOM 2372 H1 H2O 9 121 6.030 14.200 20.444 0.00 0.00 -ATOM 2373 H2 H2O 9 121 4.719 15.060 19.987 0.00 0.00 -ATOM 2374 O1 H2O 0 122 18.575 28.268 23.571 0.00 0.00 -ATOM 2375 H1 H2O 0 122 17.681 28.630 23.838 0.00 0.00 -ATOM 2376 H2 H2O 0 122 18.469 27.329 23.243 0.00 0.00 -ATOM 2377 O1 H2O 1 123 20.583 13.040 23.612 0.00 0.00 -ATOM 2378 H1 H2O 1 123 19.886 13.681 23.291 0.00 0.00 -ATOM 2379 H2 H2O 1 123 21.460 13.513 23.690 0.00 0.00 -ATOM 2380 O1 H2O 2 124 13.552 3.148 20.060 0.00 0.00 -ATOM 2381 H1 H2O 2 124 13.261 2.444 19.412 0.00 0.00 -ATOM 2382 H2 H2O 2 124 13.752 3.994 19.566 0.00 0.00 -ATOM 2383 O1 H2O 3 125 21.641 20.082 22.192 0.00 0.00 -ATOM 2384 H1 H2O 3 125 21.242 19.268 22.615 0.00 0.00 -ATOM 2385 H2 H2O 3 125 22.336 19.806 21.529 0.00 0.00 -ATOM 2386 O1 H2O 4 126 26.021 17.044 22.861 0.00 0.00 -ATOM 2387 H1 H2O 4 126 26.306 17.952 23.169 0.00 0.00 -ATOM 2388 H2 H2O 4 126 25.023 17.006 22.814 0.00 0.00 -ATOM 2389 O1 H2O 5 127 16.902 25.946 20.727 0.00 0.00 -ATOM 2390 H1 H2O 5 127 17.534 26.102 21.486 0.00 0.00 -ATOM 2391 H2 H2O 5 127 17.168 25.115 20.238 0.00 0.00 -ATOM 2392 O1 H2O 6 128 5.041 10.856 19.822 0.00 0.00 -ATOM 2393 H1 H2O 6 128 4.753 9.927 19.590 0.00 0.00 -ATOM 2394 H2 H2O 6 128 4.244 11.392 20.101 0.00 0.00 -ATOM 2395 O1 H2O 7 129 13.561 0.727 23.658 0.00 0.00 -ATOM 2396 H1 H2O 7 129 12.847 0.036 23.545 0.00 0.00 -ATOM 2397 H2 H2O 7 129 13.264 1.584 23.236 0.00 0.00 -ATOM 2398 O1 H2O 8 130 6.617 9.304 21.332 0.00 0.00 -ATOM 2399 H1 H2O 8 130 6.131 10.143 21.089 0.00 0.00 -ATOM 2400 H2 H2O 8 130 6.667 8.704 20.533 0.00 0.00 -ATOM 2401 O1 H2O 9 131 13.718 23.598 23.606 0.00 0.00 -ATOM 2402 H1 H2O 9 131 13.598 23.484 22.620 0.00 0.00 -ATOM 2403 H2 H2O 9 131 12.822 23.613 24.052 0.00 0.00 -ATOM 2404 O1 H2O 0 132 25.179 2.769 23.348 0.00 0.00 -ATOM 2405 H1 H2O 0 132 25.075 3.704 23.687 0.00 0.00 -ATOM 2406 H2 H2O 0 132 26.039 2.691 22.843 0.00 0.00 -ATOM 2407 O1 H2O 1 133 1.189 5.920 23.419 0.00 0.00 -ATOM 2408 H1 H2O 1 133 2.020 5.822 22.871 0.00 0.00 -ATOM 2409 H2 H2O 1 133 0.929 6.885 23.460 0.00 0.00 -ATOM 2410 O1 H2O 2 134 8.453 10.108 23.432 0.00 0.00 -ATOM 2411 H1 H2O 2 134 9.433 9.933 23.338 0.00 0.00 -ATOM 2412 H2 H2O 2 134 8.072 10.357 22.541 0.00 0.00 -ATOM 2413 O1 H2O 3 135 3.754 23.163 23.971 0.00 0.00 -ATOM 2414 H1 H2O 3 135 3.690 23.933 23.337 0.00 0.00 -ATOM 2415 H2 H2O 3 135 3.617 23.489 24.907 0.00 0.00 -ATOM 2416 O1 H2O 4 136 17.591 28.532 20.091 0.00 0.00 -ATOM 2417 H1 H2O 4 136 17.193 27.643 20.318 0.00 0.00 -ATOM 2418 H2 H2O 4 136 16.916 29.251 20.255 0.00 0.00 -ATOM 2419 O1 H2O 5 137 25.900 5.665 19.916 0.00 0.00 -ATOM 2420 H1 H2O 5 137 25.121 6.280 19.799 0.00 0.00 -ATOM 2421 H2 H2O 5 137 25.974 5.401 20.878 0.00 0.00 -ATOM 2422 O1 H2O 6 138 0.716 4.000 21.128 0.00 0.00 -ATOM 2423 H1 H2O 6 138 0.250 4.725 20.621 0.00 0.00 -ATOM 2424 H2 H2O 6 138 1.671 3.951 20.837 0.00 0.00 -ATOM 2425 O1 H2O 7 139 11.178 24.472 23.468 0.00 0.00 -ATOM 2426 H1 H2O 7 139 10.436 24.470 22.797 0.00 0.00 -ATOM 2427 H2 H2O 7 139 11.670 25.341 23.417 0.00 0.00 -ATOM 2428 O1 H2O 8 140 2.938 15.529 19.691 0.00 0.00 -ATOM 2429 H1 H2O 8 140 1.955 15.344 19.678 0.00 0.00 -ATOM 2430 H2 H2O 8 140 3.091 16.510 19.806 0.00 0.00 -ATOM 2431 O1 H2O 9 141 24.243 2.373 19.663 0.00 0.00 -ATOM 2432 H1 H2O 9 141 24.185 2.803 20.564 0.00 0.00 -ATOM 2433 H2 H2O 9 141 24.171 3.074 18.954 0.00 0.00 -ATOM 2434 O1 H2O 0 142 0.371 27.564 21.664 0.00 0.00 -ATOM 2435 H1 H2O 0 142 0.023 26.881 22.306 0.00 0.00 -ATOM 2436 H2 H2O 0 142 0.168 28.480 22.009 0.00 0.00 -ATOM 2437 O1 H2O 1 143 14.532 4.690 23.358 0.00 0.00 -ATOM 2438 H1 H2O 1 143 15.513 4.864 23.447 0.00 0.00 -ATOM 2439 H2 H2O 1 143 14.074 5.519 23.037 0.00 0.00 -ATOM 2440 O1 H2O 2 144 8.967 15.002 20.409 0.00 0.00 -ATOM 2441 H1 H2O 2 144 9.194 14.059 20.650 0.00 0.00 -ATOM 2442 H2 H2O 2 144 8.234 15.005 19.728 0.00 0.00 -ATOM 2443 O1 H2O 3 145 14.427 25.767 19.534 0.00 0.00 -ATOM 2444 H1 H2O 3 145 15.153 26.215 20.056 0.00 0.00 -ATOM 2445 H2 H2O 3 145 14.313 26.232 18.655 0.00 0.00 -ATOM 2446 O1 H2O 4 146 16.098 2.386 22.449 0.00 0.00 -ATOM 2447 H1 H2O 4 146 16.572 2.977 21.796 0.00 0.00 -ATOM 2448 H2 H2O 4 146 15.392 2.912 22.923 0.00 0.00 -ATOM 2449 O1 H2O 5 147 18.364 11.668 20.271 0.00 0.00 -ATOM 2450 H1 H2O 5 147 19.263 11.231 20.306 0.00 0.00 -ATOM 2451 H2 H2O 5 147 17.716 11.061 19.810 0.00 0.00 -ATOM 2452 O1 H2O 6 148 4.935 1.922 20.576 0.00 0.00 -ATOM 2453 H1 H2O 6 148 4.942 1.720 21.555 0.00 0.00 -ATOM 2454 H2 H2O 6 148 5.867 1.868 20.217 0.00 0.00 -ATOM 2455 O1 H2O 7 149 3.914 25.095 22.011 0.00 0.00 -ATOM 2456 H1 H2O 7 149 4.202 24.258 21.546 0.00 0.00 -ATOM 2457 H2 H2O 7 149 3.354 25.644 21.391 0.00 0.00 -ATOM 2458 O1 H2O 8 150 3.220 8.384 22.428 0.00 0.00 -ATOM 2459 H1 H2O 8 150 4.122 8.145 22.786 0.00 0.00 -ATOM 2460 H2 H2O 8 150 2.924 9.253 22.824 0.00 0.00 -ATOM 2461 O1 H2O 9 151 4.144 13.904 23.432 0.00 0.00 -ATOM 2462 H1 H2O 9 151 4.535 14.789 23.684 0.00 0.00 -ATOM 2463 H2 H2O 9 151 4.871 13.219 23.389 0.00 0.00 -ATOM 2464 O1 H2O 0 152 6.468 16.081 22.824 0.00 0.00 -ATOM 2465 H1 H2O 0 152 6.043 15.962 21.927 0.00 0.00 -ATOM 2466 H2 H2O 0 152 6.903 15.225 23.103 0.00 0.00 -ATOM 2467 O1 H2O 1 153 27.899 9.602 20.587 0.00 0.00 -ATOM 2468 H1 H2O 1 153 27.043 9.230 20.228 0.00 0.00 -ATOM 2469 H2 H2O 1 153 27.815 9.741 21.574 0.00 0.00 -ATOM 2470 O1 H2O 2 154 28.301 4.463 23.350 0.00 0.00 -ATOM 2471 H1 H2O 2 154 27.793 5.289 23.594 0.00 0.00 -ATOM 2472 H2 H2O 2 154 29.282 4.655 23.376 0.00 0.00 -ATOM 2473 O1 H2O 3 155 5.771 11.360 23.819 0.00 0.00 -ATOM 2474 H1 H2O 3 155 6.405 10.605 23.984 0.00 0.00 -ATOM 2475 H2 H2O 3 155 4.902 11.173 24.277 0.00 0.00 -ATOM 2476 O1 H2O 4 156 3.570 5.524 22.139 0.00 0.00 -ATOM 2477 H1 H2O 4 156 4.149 6.337 22.206 0.00 0.00 -ATOM 2478 H2 H2O 4 156 3.754 5.055 21.275 0.00 0.00 -ATOM 2479 O1 H2O 5 157 8.330 18.143 23.243 0.00 0.00 -ATOM 2480 H1 H2O 5 157 7.878 19.034 23.209 0.00 0.00 -ATOM 2481 H2 H2O 5 157 7.640 17.421 23.298 0.00 0.00 -ATOM 2482 O1 H2O 6 158 11.737 26.066 20.064 0.00 0.00 -ATOM 2483 H1 H2O 6 158 11.227 25.207 20.097 0.00 0.00 -ATOM 2484 H2 H2O 6 158 12.707 25.872 19.921 0.00 0.00 -ATOM 2485 O1 H2O 7 159 22.447 8.298 19.974 0.00 0.00 -ATOM 2486 H1 H2O 7 159 22.500 7.311 19.819 0.00 0.00 -ATOM 2487 H2 H2O 7 159 22.167 8.473 20.918 0.00 0.00 -ATOM 2488 O1 H2O 8 160 23.126 17.190 23.730 0.00 0.00 -ATOM 2489 H1 H2O 8 160 23.497 17.474 24.614 0.00 0.00 -ATOM 2490 H2 H2O 8 160 22.223 17.600 23.601 0.00 0.00 -ATOM 2491 O1 H2O 9 161 2.710 3.583 23.742 0.00 0.00 -ATOM 2492 H1 H2O 9 161 2.790 4.150 22.922 0.00 0.00 -ATOM 2493 H2 H2O 9 161 2.162 4.063 24.427 0.00 0.00 -ATOM 2494 O1 H2O 0 162 2.166 26.329 20.080 0.00 0.00 -ATOM 2495 H1 H2O 0 162 1.600 25.511 19.982 0.00 0.00 -ATOM 2496 H2 H2O 0 162 1.717 26.971 20.702 0.00 0.00 -ATOM 2497 O1 H2O 1 163 9.311 22.077 22.214 0.00 0.00 -ATOM 2498 H1 H2O 1 163 8.746 21.616 21.529 0.00 0.00 -ATOM 2499 H2 H2O 1 163 9.188 23.066 22.136 0.00 0.00 -ATOM 2500 O1 H2O 2 164 26.918 23.840 23.582 0.00 0.00 -ATOM 2501 H1 H2O 2 164 26.261 24.590 23.654 0.00 0.00 -ATOM 2502 H2 H2O 2 164 26.466 23.036 23.195 0.00 0.00 -ATOM 2503 O1 H2O 3 165 7.525 26.733 21.921 0.00 0.00 -ATOM 2504 H1 H2O 3 165 7.382 27.504 21.301 0.00 0.00 -ATOM 2505 H2 H2O 3 165 6.706 26.597 22.478 0.00 0.00 -ATOM 2506 O1 H2O 4 166 10.905 19.562 20.323 0.00 0.00 -ATOM 2507 H1 H2O 4 166 11.453 20.333 20.651 0.00 0.00 -ATOM 2508 H2 H2O 4 166 10.094 19.907 19.851 0.00 0.00 -ATOM 2509 O1 H2O 5 167 21.674 25.328 20.529 0.00 0.00 -ATOM 2510 H1 H2O 5 167 22.345 25.389 19.790 0.00 0.00 -ATOM 2511 H2 H2O 5 167 20.853 25.841 20.279 0.00 0.00 -ATOM 2512 O1 H2O 6 168 14.531 18.966 20.804 0.00 0.00 -ATOM 2513 H1 H2O 6 168 14.340 17.985 20.827 0.00 0.00 -ATOM 2514 H2 H2O 6 168 14.440 19.346 21.725 0.00 0.00 -ATOM 2515 O1 H2O 7 169 29.248 23.241 22.718 0.00 0.00 -ATOM 2516 H1 H2O 7 169 29.340 22.246 22.766 0.00 0.00 -ATOM 2517 H2 H2O 7 169 28.377 23.515 23.124 0.00 0.00 -ATOM 2518 O1 H2O 8 170 2.874 23.348 19.568 0.00 0.00 -ATOM 2519 H1 H2O 8 170 1.929 23.415 19.888 0.00 0.00 -ATOM 2520 H2 H2O 8 170 3.021 23.999 18.822 0.00 0.00 -ATOM 2521 O1 H2O 9 171 11.643 15.409 20.874 0.00 0.00 -ATOM 2522 H1 H2O 9 171 10.653 15.297 20.789 0.00 0.00 -ATOM 2523 H2 H2O 9 171 11.900 15.388 21.840 0.00 0.00 -ATOM 2524 O1 H2O 0 172 19.523 0.890 19.800 0.00 0.00 -ATOM 2525 H1 H2O 0 172 18.859 0.167 19.607 0.00 0.00 -ATOM 2526 H2 H2O 0 172 19.454 1.158 20.761 0.00 0.00 -ATOM 2527 O1 H2O 1 173 24.808 25.231 20.523 0.00 0.00 -ATOM 2528 H1 H2O 1 173 25.155 25.417 21.442 0.00 0.00 -ATOM 2529 H2 H2O 1 173 24.568 26.093 20.076 0.00 0.00 -ATOM 2530 O1 H2O 2 174 24.044 24.668 23.418 0.00 0.00 -ATOM 2531 H1 H2O 2 174 23.531 25.476 23.128 0.00 0.00 -ATOM 2532 H2 H2O 2 174 23.413 23.907 23.565 0.00 0.00 -ATOM 2533 O1 H2O 3 175 17.855 8.413 23.716 0.00 0.00 -ATOM 2534 H1 H2O 3 175 18.489 9.178 23.600 0.00 0.00 -ATOM 2535 H2 H2O 3 175 17.772 8.193 24.688 0.00 0.00 -ATOM 2536 O1 H2O 4 176 17.193 3.070 19.940 0.00 0.00 -ATOM 2537 H1 H2O 4 176 16.472 3.009 19.249 0.00 0.00 -ATOM 2538 H2 H2O 4 176 18.029 2.651 19.587 0.00 0.00 -ATOM 2539 O1 H2O 5 177 3.320 12.895 20.179 0.00 0.00 -ATOM 2540 H1 H2O 5 177 2.513 12.427 20.539 0.00 0.00 -ATOM 2541 H2 H2O 5 177 3.159 13.882 20.176 0.00 0.00 -ATOM 2542 O1 H2O 6 178 10.677 4.993 21.130 0.00 0.00 -ATOM 2543 H1 H2O 6 178 11.439 4.364 21.280 0.00 0.00 -ATOM 2544 H2 H2O 6 178 9.930 4.768 21.755 0.00 0.00 -ATOM 2545 O1 H2O 7 179 26.631 26.323 22.268 0.00 0.00 -ATOM 2546 H1 H2O 7 179 26.288 27.088 22.813 0.00 0.00 -ATOM 2547 H2 H2O 7 179 27.497 26.002 22.652 0.00 0.00 -ATOM 2548 O1 H2O 8 180 15.320 26.599 23.437 0.00 0.00 -ATOM 2549 H1 H2O 8 180 14.340 26.717 23.273 0.00 0.00 -ATOM 2550 H2 H2O 8 180 15.540 25.624 23.455 0.00 0.00 -ATOM 2551 O1 H2O 9 181 19.213 1.145 22.647 0.00 0.00 -ATOM 2552 H1 H2O 9 181 18.904 0.220 22.867 0.00 0.00 -ATOM 2553 H2 H2O 9 181 20.172 1.247 22.911 0.00 0.00 -ATOM 2554 O1 H2O 0 182 1.548 1.457 22.546 0.00 0.00 -ATOM 2555 H1 H2O 0 182 2.112 2.172 22.960 0.00 0.00 -ATOM 2556 H2 H2O 0 182 0.776 1.252 23.147 0.00 0.00 -ATOM 2557 O1 H2O 1 183 5.084 5.711 19.645 0.00 0.00 -ATOM 2558 H1 H2O 1 183 4.605 4.850 19.474 0.00 0.00 -ATOM 2559 H2 H2O 1 183 6.026 5.519 19.923 0.00 0.00 -ATOM 2560 O1 H2O 2 184 21.040 27.972 22.512 0.00 0.00 -ATOM 2561 H1 H2O 2 184 20.202 28.097 23.043 0.00 0.00 -ATOM 2562 H2 H2O 2 184 20.837 28.073 21.539 0.00 0.00 -ATOM 2563 O1 H2O 3 185 5.768 3.958 23.240 0.00 0.00 -ATOM 2564 H1 H2O 3 185 5.250 3.114 23.377 0.00 0.00 -ATOM 2565 H2 H2O 3 185 5.141 4.736 23.227 0.00 0.00 -ATOM 2566 O1 H2O 4 186 7.442 13.581 23.485 0.00 0.00 -ATOM 2567 H1 H2O 4 186 6.950 12.725 23.643 0.00 0.00 -ATOM 2568 H2 H2O 4 186 8.332 13.383 23.074 0.00 0.00 -ATOM 2569 O1 H2O 5 187 22.349 0.279 19.702 0.00 0.00 -ATOM 2570 H1 H2O 5 187 21.472 0.755 19.638 0.00 0.00 -ATOM 2571 H2 H2O 5 187 23.091 0.918 19.500 0.00 0.00 -ATOM 2572 O1 H2O 6 188 10.009 28.093 20.667 0.00 0.00 -ATOM 2573 H1 H2O 6 188 9.379 28.296 19.918 0.00 0.00 -ATOM 2574 H2 H2O 6 188 10.525 27.263 20.455 0.00 0.00 -ATOM 2575 O1 H2O 7 189 22.963 14.487 23.499 0.00 0.00 -ATOM 2576 H1 H2O 7 189 23.155 15.468 23.524 0.00 0.00 -ATOM 2577 H2 H2O 7 189 23.799 13.979 23.709 0.00 0.00 -ATOM 2578 O1 H2O 8 190 5.612 26.452 23.689 0.00 0.00 -ATOM 2579 H1 H2O 8 190 5.534 26.376 24.683 0.00 0.00 -ATOM 2580 H2 H2O 8 190 4.906 25.891 23.256 0.00 0.00 -ATOM 2581 O1 H2O 9 191 16.421 10.384 22.395 0.00 0.00 -ATOM 2582 H1 H2O 9 191 16.869 11.216 22.723 0.00 0.00 -ATOM 2583 H2 H2O 9 191 16.849 9.586 22.819 0.00 0.00 -ATOM 2584 O1 H2O 0 192 11.675 0.490 20.284 0.00 0.00 -ATOM 2585 H1 H2O 0 192 11.115 1.270 20.002 0.00 0.00 -ATOM 2586 H2 H2O 0 192 11.084 -0.294 20.472 0.00 0.00 -ATOM 2587 O1 H2O 1 193 25.519 21.613 22.244 0.00 0.00 -ATOM 2588 H1 H2O 1 193 26.380 21.533 21.741 0.00 0.00 -ATOM 2589 H2 H2O 1 193 24.821 22.011 21.650 0.00 0.00 -ATOM 2590 O1 H2O 2 194 14.259 8.569 20.133 0.00 0.00 -ATOM 2591 H1 H2O 2 194 14.206 9.534 19.876 0.00 0.00 -ATOM 2592 H2 H2O 2 194 15.189 8.234 19.982 0.00 0.00 -ATOM 2593 O1 H2O 3 195 6.998 20.491 23.621 0.00 0.00 -ATOM 2594 H1 H2O 3 195 7.175 20.455 24.604 0.00 0.00 -ATOM 2595 H2 H2O 3 195 6.128 20.040 23.422 0.00 0.00 -ATOM 2596 O1 H2O 4 196 21.585 4.209 22.871 0.00 0.00 -ATOM 2597 H1 H2O 4 196 21.756 4.176 21.887 0.00 0.00 -ATOM 2598 H2 H2O 4 196 21.567 3.279 23.238 0.00 0.00 -ATOM 2599 O1 H2O 5 197 26.961 13.341 20.659 0.00 0.00 -ATOM 2600 H1 H2O 5 197 26.890 14.287 20.343 0.00 0.00 -ATOM 2601 H2 H2O 5 197 27.725 12.891 20.197 0.00 0.00 -ATOM 2602 O1 H2O 6 198 19.634 15.956 20.326 0.00 0.00 -ATOM 2603 H1 H2O 6 198 19.472 16.866 19.945 0.00 0.00 -ATOM 2604 H2 H2O 6 198 18.840 15.375 20.150 0.00 0.00 -ATOM 2605 O1 H2O 7 199 26.120 28.451 23.712 0.00 0.00 -ATOM 2606 H1 H2O 7 199 25.976 28.839 24.622 0.00 0.00 -ATOM 2607 H2 H2O 7 199 26.944 28.848 23.307 0.00 0.00 -ATOM 2608 O1 H2O 8 200 7.656 0.670 23.721 0.00 0.00 -ATOM 2609 H1 H2O 8 200 8.231 1.323 24.215 0.00 0.00 -ATOM 2610 H2 H2O 8 200 7.926 -0.262 23.963 0.00 0.00 -ATOM 2611 O1 H2O 9 201 11.279 23.306 19.804 0.00 0.00 -ATOM 2612 H1 H2O 9 201 11.051 23.215 18.834 0.00 0.00 -ATOM 2613 H2 H2O 9 201 11.901 22.570 20.070 0.00 0.00 -ATOM 2614 O1 H2O 0 202 17.146 19.534 19.948 0.00 0.00 -ATOM 2615 H1 H2O 0 202 16.948 20.027 19.101 0.00 0.00 -ATOM 2616 H2 H2O 0 202 16.298 19.158 20.321 0.00 0.00 -ATOM 2617 O1 H2O 1 203 15.293 16.416 19.857 0.00 0.00 -ATOM 2618 H1 H2O 1 203 14.725 15.603 19.734 0.00 0.00 -ATOM 2619 H2 H2O 1 203 15.854 16.557 19.041 0.00 0.00 -ATOM 2620 O1 H2O 2 204 11.701 10.545 20.737 0.00 0.00 -ATOM 2621 H1 H2O 2 204 11.594 9.573 20.525 0.00 0.00 -ATOM 2622 H2 H2O 2 204 12.663 10.801 20.647 0.00 0.00 -ATOM 2623 O1 h2o 1 205 29.107 11.767 19.581 0.00 0.00 -ATOM 2624 H1 h2o 1 205 28.759 10.845 19.748 0.00 0.00 -ATOM 2625 H2 h2o 1 205 29.530 11.805 18.675 0.00 0.00 -ATOM 2626 O1 h2o 2 206 2.110 10.436 19.761 0.00 0.00 -ATOM 2627 H1 h2o 2 206 2.221 9.520 20.146 0.00 0.00 -ATOM 2628 H2 h2o 2 206 1.186 10.767 19.950 0.00 0.00 -ATOM 2629 O1 h2o 3 207 6.347 25.394 19.896 0.00 0.00 -ATOM 2630 H1 h2o 3 207 6.118 26.294 19.524 0.00 0.00 -ATOM 2631 H2 h2o 3 207 6.418 25.453 20.892 0.00 0.00 -ATOM 2632 O1 h2o 4 208 0.828 28.905 24.062 0.00 0.00 -ATOM 2633 H1 h2o 4 208 -0.147 28.697 24.150 0.00 0.00 -ATOM 2634 H2 h2o 4 208 1.240 28.959 24.972 0.00 0.00 -ATOM 2635 O1 h2o 5 209 15.812 5.966 20.599 0.00 0.00 -ATOM 2636 H1 h2o 5 209 16.168 5.665 21.484 0.00 0.00 -ATOM 2637 H2 h2o 5 209 15.088 6.640 20.742 0.00 0.00 -END -REMARK GOMC 6 5000000 -CRYST1 29.472 29.777 26.750 90.00 90.00 90.00 P 1 1 -ATOM 1 C1 TOP 1 1 15.350 15.597 10.050 0.00 1.00 -ATOM 2 C2 TOP 1 1 15.350 15.597 13.400 0.00 1.00 -ATOM 3 C3 TOP 1 1 15.350 15.597 16.750 0.00 1.00 -ATOM 4 C4 TOP 1 1 14.122 17.724 10.050 0.00 1.00 -ATOM 5 C5 TOP 1 1 14.122 17.724 13.400 0.00 1.00 -ATOM 6 C6 TOP 1 1 14.122 17.724 16.750 0.00 1.00 -ATOM 7 C7 TOP 1 1 12.894 19.851 10.050 0.00 1.00 -ATOM 8 C8 TOP 1 1 12.894 19.851 13.400 0.00 1.00 -ATOM 9 C9 TOP 1 1 12.894 19.851 16.750 0.00 1.00 -ATOM 10 CA TOP 1 1 11.666 21.978 10.050 0.00 1.00 -ATOM 11 CB TOP 1 1 11.666 21.978 13.400 0.00 1.00 -ATOM 12 CC TOP 1 1 11.666 21.978 16.750 0.00 1.00 -ATOM 13 CD TOP 1 1 10.438 24.105 10.050 0.00 1.00 -ATOM 14 CE TOP 1 1 10.438 24.105 13.400 0.00 1.00 -ATOM 15 CF TOP 1 1 10.438 24.105 16.750 0.00 1.00 -ATOM 16 CG TOP 1 1 9.210 26.232 10.050 0.00 1.00 -ATOM 17 CH TOP 1 1 9.210 26.232 13.400 0.00 1.00 -ATOM 18 CI TOP 1 1 9.210 26.232 16.750 0.00 1.00 -ATOM 19 CJ TOP 1 1 7.982 28.359 10.050 0.00 1.00 -ATOM 20 CK TOP 1 1 7.982 28.359 13.400 0.00 1.00 -ATOM 21 CL TOP 1 1 7.982 28.359 16.750 0.00 1.00 -ATOM 22 CM TOP 1 1 6.754 0.709 10.050 0.00 1.00 -ATOM 23 CN TOP 1 1 6.754 0.709 13.400 0.00 1.00 -ATOM 24 CO TOP 1 1 6.754 0.709 16.750 0.00 1.00 -ATOM 25 CP TOP 1 1 5.526 2.836 10.050 0.00 1.00 -ATOM 26 CQ TOP 1 1 5.526 2.836 13.400 0.00 1.00 -ATOM 27 CR TOP 1 1 5.526 2.836 16.750 0.00 1.00 -ATOM 28 CS TOP 1 1 4.298 4.963 10.050 0.00 1.00 -ATOM 29 CT TOP 1 1 4.298 4.963 13.400 0.00 1.00 -ATOM 30 CU TOP 1 1 4.298 4.963 16.750 0.00 1.00 -ATOM 31 CV TOP 1 1 3.070 7.090 10.050 0.00 1.00 -ATOM 32 CW TOP 1 1 3.070 7.090 13.400 0.00 1.00 -ATOM 33 CX TOP 1 1 3.070 7.090 16.750 0.00 1.00 -ATOM 34 CY TOP 1 1 1.842 9.217 10.050 0.00 1.00 -ATOM 35 CZ TOP 1 1 1.842 9.217 13.400 0.00 1.00 -ATOM 36 Ca TOP 1 1 1.842 9.217 16.750 0.00 1.00 -ATOM 37 Cb TOP 1 1 0.614 11.344 10.050 0.00 1.00 -ATOM 38 Cc TOP 1 1 0.614 11.344 13.400 0.00 1.00 -ATOM 39 Cd TOP 1 1 0.614 11.344 16.750 0.00 1.00 -ATOM 40 Ce TOP 1 1 28.858 13.471 10.050 0.00 1.00 -ATOM 41 Cf TOP 1 1 28.858 13.471 13.400 0.00 1.00 -ATOM 42 Cg TOP 1 1 28.858 13.471 16.750 0.00 1.00 -ATOM 43 Ch TOP 1 1 17.806 15.597 10.050 0.00 1.00 -ATOM 44 Ci TOP 1 1 17.806 15.597 13.400 0.00 1.00 -ATOM 45 Cj TOP 1 1 17.806 15.597 16.750 0.00 1.00 -ATOM 46 Ck TOP 1 1 16.578 17.724 10.050 0.00 1.00 -ATOM 47 Cl TOP 1 1 16.578 17.724 13.400 0.00 1.00 -ATOM 48 Cm TOP 1 1 16.578 17.724 16.750 0.00 1.00 -ATOM 49 Cn TOP 1 1 15.350 19.851 10.050 0.00 1.00 -ATOM 50 Co TOP 1 1 15.350 19.851 13.400 0.00 1.00 -ATOM 51 Cp TOP 1 1 15.350 19.851 16.750 0.00 1.00 -ATOM 52 Cq TOP 1 1 14.122 21.978 10.050 0.00 1.00 -ATOM 53 Cr TOP 1 1 14.122 21.978 13.400 0.00 1.00 -ATOM 54 Cs TOP 1 1 14.122 21.978 16.750 0.00 1.00 -ATOM 55 Ct TOP 1 1 12.894 24.105 10.050 0.00 1.00 -ATOM 56 Cu TOP 1 1 12.894 24.105 13.400 0.00 1.00 -ATOM 57 Cv TOP 1 1 12.894 24.105 16.750 0.00 1.00 -ATOM 58 Cw TOP 1 1 11.666 26.232 10.050 0.00 1.00 -ATOM 59 Cx TOP 1 1 11.666 26.232 13.400 0.00 1.00 -ATOM 60 Cy TOP 1 1 11.666 26.232 16.750 0.00 1.00 -ATOM 61 Cz TOP 1 1 10.438 28.359 10.050 0.00 1.00 -ATOM 62 C10 TOP 1 1 10.438 28.359 13.400 0.00 1.00 -ATOM 63 C11 TOP 1 1 10.438 28.359 16.750 0.00 1.00 -ATOM 64 C12 TOP 1 1 9.210 0.709 10.050 0.00 1.00 -ATOM 65 C13 TOP 1 1 9.210 0.709 13.400 0.00 1.00 -ATOM 66 C14 TOP 1 1 9.210 0.709 16.750 0.00 1.00 -ATOM 67 C15 TOP 1 1 7.982 2.836 10.050 0.00 1.00 -ATOM 68 C16 TOP 1 1 7.982 2.836 13.400 0.00 1.00 -ATOM 69 C17 TOP 1 1 7.982 2.836 16.750 0.00 1.00 -ATOM 70 C18 TOP 1 1 6.754 4.963 10.050 0.00 1.00 -ATOM 71 C19 TOP 1 1 6.754 4.963 13.400 0.00 1.00 -ATOM 72 C1A TOP 1 1 6.754 4.963 16.750 0.00 1.00 -ATOM 73 C1B TOP 1 1 5.526 7.090 10.050 0.00 1.00 -ATOM 74 C1C TOP 1 1 5.526 7.090 13.400 0.00 1.00 -ATOM 75 C1D TOP 1 1 5.526 7.090 16.750 0.00 1.00 -ATOM 76 C1E TOP 1 1 4.298 9.217 10.050 0.00 1.00 -ATOM 77 C1F TOP 1 1 4.298 9.217 13.400 0.00 1.00 -ATOM 78 C1G TOP 1 1 4.298 9.217 16.750 0.00 1.00 -ATOM 79 C1H TOP 1 1 3.070 11.344 10.050 0.00 1.00 -ATOM 80 C1I TOP 1 1 3.070 11.344 13.400 0.00 1.00 -ATOM 81 C1J TOP 1 1 3.070 11.344 16.750 0.00 1.00 -ATOM 82 C1K TOP 1 1 1.842 13.471 10.050 0.00 1.00 -ATOM 83 C1L TOP 1 1 1.842 13.471 13.400 0.00 1.00 -ATOM 84 C1M TOP 1 1 1.842 13.471 16.750 0.00 1.00 -ATOM 85 C1N TOP 1 1 20.262 15.597 10.050 0.00 1.00 -ATOM 86 C1O TOP 1 1 20.262 15.597 13.400 0.00 1.00 -ATOM 87 C1P TOP 1 1 20.262 15.597 16.750 0.00 1.00 -ATOM 88 C1Q TOP 1 1 19.034 17.724 10.050 0.00 1.00 -ATOM 89 C1R TOP 1 1 19.034 17.724 13.400 0.00 1.00 -ATOM 90 C1S TOP 1 1 19.034 17.724 16.750 0.00 1.00 -ATOM 91 C1T TOP 1 1 17.806 19.851 10.050 0.00 1.00 -ATOM 92 C1U TOP 1 1 17.806 19.851 13.400 0.00 1.00 -ATOM 93 C1V TOP 1 1 17.806 19.851 16.750 0.00 1.00 -ATOM 94 C1W TOP 1 1 16.578 21.978 10.050 0.00 1.00 -ATOM 95 C1X TOP 1 1 16.578 21.978 13.400 0.00 1.00 -ATOM 96 C1Y TOP 1 1 16.578 21.978 16.750 0.00 1.00 -ATOM 97 C1Z TOP 1 1 15.350 24.105 10.050 0.00 1.00 -ATOM 98 C1a TOP 1 1 15.350 24.105 13.400 0.00 1.00 -ATOM 99 C1b TOP 1 1 15.350 24.105 16.750 0.00 1.00 -ATOM 100 C1c TOP 1 1 14.122 26.232 10.050 0.00 1.00 -ATOM 101 C1d TOP 1 1 14.122 26.232 13.400 0.00 1.00 -ATOM 102 C1e TOP 1 1 14.122 26.232 16.750 0.00 1.00 -ATOM 103 C1f TOP 1 1 12.894 28.359 10.050 0.00 1.00 -ATOM 104 C1g TOP 1 1 12.894 28.359 13.400 0.00 1.00 -ATOM 105 C1h TOP 1 1 12.894 28.359 16.750 0.00 1.00 -ATOM 106 C1i TOP 1 1 11.666 0.709 10.050 0.00 1.00 -ATOM 107 C1j TOP 1 1 11.666 0.709 13.400 0.00 1.00 -ATOM 108 C1k TOP 1 1 11.666 0.709 16.750 0.00 1.00 -ATOM 109 C1l TOP 1 1 10.438 2.836 10.050 0.00 1.00 -ATOM 110 C1m TOP 1 1 10.438 2.836 13.400 0.00 1.00 -ATOM 111 C1n TOP 1 1 10.438 2.836 16.750 0.00 1.00 -ATOM 112 C1o TOP 1 1 9.210 4.963 10.050 0.00 1.00 -ATOM 113 C1p TOP 1 1 9.210 4.963 13.400 0.00 1.00 -ATOM 114 C1q TOP 1 1 9.210 4.963 16.750 0.00 1.00 -ATOM 115 C1r TOP 1 1 7.982 7.090 10.050 0.00 1.00 -ATOM 116 C1s TOP 1 1 7.982 7.090 13.400 0.00 1.00 -ATOM 117 C1t TOP 1 1 7.982 7.090 16.750 0.00 1.00 -ATOM 118 C1u TOP 1 1 6.754 9.217 10.050 0.00 1.00 -ATOM 119 C1v TOP 1 1 6.754 9.217 13.400 0.00 1.00 -ATOM 120 C1w TOP 1 1 6.754 9.217 16.750 0.00 1.00 -ATOM 121 C1x TOP 1 1 5.526 11.344 10.050 0.00 1.00 -ATOM 122 C1y TOP 1 1 5.526 11.344 13.400 0.00 1.00 -ATOM 123 C1z TOP 1 1 5.526 11.344 16.750 0.00 1.00 -ATOM 124 C20 TOP 1 1 4.298 13.471 10.050 0.00 1.00 -ATOM 125 C21 TOP 1 1 4.298 13.471 13.400 0.00 1.00 -ATOM 126 C22 TOP 1 1 4.298 13.471 16.750 0.00 1.00 -ATOM 127 C23 TOP 1 1 22.718 15.597 10.050 0.00 1.00 -ATOM 128 C24 TOP 1 1 22.718 15.597 13.400 0.00 1.00 -ATOM 129 C25 TOP 1 1 22.718 15.597 16.750 0.00 1.00 -ATOM 130 C26 TOP 1 1 21.490 17.724 10.050 0.00 1.00 -ATOM 131 C27 TOP 1 1 21.490 17.724 13.400 0.00 1.00 -ATOM 132 C28 TOP 1 1 21.490 17.724 16.750 0.00 1.00 -ATOM 133 C29 TOP 1 1 20.262 19.851 10.050 0.00 1.00 -ATOM 134 C2A TOP 1 1 20.262 19.851 13.400 0.00 1.00 -ATOM 135 C2B TOP 1 1 20.262 19.851 16.750 0.00 1.00 -ATOM 136 C2C TOP 1 1 19.034 21.978 10.050 0.00 1.00 -ATOM 137 C2D TOP 1 1 19.034 21.978 13.400 0.00 1.00 -ATOM 138 C2E TOP 1 1 19.034 21.978 16.750 0.00 1.00 -ATOM 139 C2F TOP 1 1 17.806 24.105 10.050 0.00 1.00 -ATOM 140 C2G TOP 1 1 17.806 24.105 13.400 0.00 1.00 -ATOM 141 C2H TOP 1 1 17.806 24.105 16.750 0.00 1.00 -ATOM 142 C2I TOP 1 1 16.578 26.232 10.050 0.00 1.00 -ATOM 143 C2J TOP 1 1 16.578 26.232 13.400 0.00 1.00 -ATOM 144 C2K TOP 1 1 16.578 26.232 16.750 0.00 1.00 -ATOM 145 C2L TOP 1 1 15.350 28.359 10.050 0.00 1.00 -ATOM 146 C2M TOP 1 1 15.350 28.359 13.400 0.00 1.00 -ATOM 147 C2N TOP 1 1 15.350 28.359 16.750 0.00 1.00 -ATOM 148 C2O TOP 1 1 14.122 0.709 10.050 0.00 1.00 -ATOM 149 C2P TOP 1 1 14.122 0.709 13.400 0.00 1.00 -ATOM 150 C2Q TOP 1 1 14.122 0.709 16.750 0.00 1.00 -ATOM 151 C2R TOP 1 1 12.894 2.836 10.050 0.00 1.00 -ATOM 152 C2S TOP 1 1 12.894 2.836 13.400 0.00 1.00 -ATOM 153 C2T TOP 1 1 12.894 2.836 16.750 0.00 1.00 -ATOM 154 C2U TOP 1 1 11.666 4.963 10.050 0.00 1.00 -ATOM 155 C2V TOP 1 1 11.666 4.963 13.400 0.00 1.00 -ATOM 156 C2W TOP 1 1 11.666 4.963 16.750 0.00 1.00 -ATOM 157 C2X TOP 1 1 10.438 7.090 10.050 0.00 1.00 -ATOM 158 C2Y TOP 1 1 10.438 7.090 13.400 0.00 1.00 -ATOM 159 C2Z TOP 1 1 10.438 7.090 16.750 0.00 1.00 -ATOM 160 C2a TOP 1 1 9.210 9.217 10.050 0.00 1.00 -ATOM 161 C2b TOP 1 1 9.210 9.217 13.400 0.00 1.00 -ATOM 162 C2c TOP 1 1 9.210 9.217 16.750 0.00 1.00 -ATOM 163 C2d TOP 1 1 7.982 11.344 10.050 0.00 1.00 -ATOM 164 C2e TOP 1 1 7.982 11.344 13.400 0.00 1.00 -ATOM 165 C2f TOP 1 1 7.982 11.344 16.750 0.00 1.00 -ATOM 166 C2g TOP 1 1 6.754 13.471 10.050 0.00 1.00 -ATOM 167 C2h TOP 1 1 6.754 13.471 13.400 0.00 1.00 -ATOM 168 C2i TOP 1 1 6.754 13.471 16.750 0.00 1.00 -ATOM 169 C2j TOP 1 1 25.174 15.597 10.050 0.00 1.00 -ATOM 170 C2k TOP 1 1 25.174 15.597 13.400 0.00 1.00 -ATOM 171 C2l TOP 1 1 25.174 15.597 16.750 0.00 1.00 -ATOM 172 C2m TOP 1 1 23.946 17.724 10.050 0.00 1.00 -ATOM 173 C2n TOP 1 1 23.946 17.724 13.400 0.00 1.00 -ATOM 174 C2o TOP 1 1 23.946 17.724 16.750 0.00 1.00 -ATOM 175 C2p TOP 1 1 22.718 19.851 10.050 0.00 1.00 -ATOM 176 C2q TOP 1 1 22.718 19.851 13.400 0.00 1.00 -ATOM 177 C2r TOP 1 1 22.718 19.851 16.750 0.00 1.00 -ATOM 178 C2s TOP 1 1 21.490 21.978 10.050 0.00 1.00 -ATOM 179 C2t TOP 1 1 21.490 21.978 13.400 0.00 1.00 -ATOM 180 C2u TOP 1 1 21.490 21.978 16.750 0.00 1.00 -ATOM 181 C2v TOP 1 1 20.262 24.105 10.050 0.00 1.00 -ATOM 182 C2w TOP 1 1 20.262 24.105 13.400 0.00 1.00 -ATOM 183 C2x TOP 1 1 20.262 24.105 16.750 0.00 1.00 -ATOM 184 C2y TOP 1 1 19.034 26.232 10.050 0.00 1.00 -ATOM 185 C2z TOP 1 1 19.034 26.232 13.400 0.00 1.00 -ATOM 186 C30 TOP 1 1 19.034 26.232 16.750 0.00 1.00 -ATOM 187 C31 TOP 1 1 17.806 28.359 10.050 0.00 1.00 -ATOM 188 C32 TOP 1 1 17.806 28.359 13.400 0.00 1.00 -ATOM 189 C33 TOP 1 1 17.806 28.359 16.750 0.00 1.00 -ATOM 190 C34 TOP 1 1 16.578 0.709 10.050 0.00 1.00 -ATOM 191 C35 TOP 1 1 16.578 0.709 13.400 0.00 1.00 -ATOM 192 C36 TOP 1 1 16.578 0.709 16.750 0.00 1.00 -ATOM 193 C37 TOP 1 1 15.350 2.836 10.050 0.00 1.00 -ATOM 194 C38 TOP 1 1 15.350 2.836 13.400 0.00 1.00 -ATOM 195 C39 TOP 1 1 15.350 2.836 16.750 0.00 1.00 -ATOM 196 C3A TOP 1 1 14.122 4.963 10.050 0.00 1.00 -ATOM 197 C3B TOP 1 1 14.122 4.963 13.400 0.00 1.00 -ATOM 198 C3C TOP 1 1 14.122 4.963 16.750 0.00 1.00 -ATOM 199 C3D TOP 1 1 12.894 7.090 10.050 0.00 1.00 -ATOM 200 C3E TOP 1 1 12.894 7.090 13.400 0.00 1.00 -ATOM 201 C3F TOP 1 1 12.894 7.090 16.750 0.00 1.00 -ATOM 202 C3G TOP 1 1 11.666 9.217 10.050 0.00 1.00 -ATOM 203 C3H TOP 1 1 11.666 9.217 13.400 0.00 1.00 -ATOM 204 C3I TOP 1 1 11.666 9.217 16.750 0.00 1.00 -ATOM 205 C3J TOP 1 1 10.438 11.344 10.050 0.00 1.00 -ATOM 206 C3K TOP 1 1 10.438 11.344 13.400 0.00 1.00 -ATOM 207 C3L TOP 1 1 10.438 11.344 16.750 0.00 1.00 -ATOM 208 C3M TOP 1 1 9.210 13.471 10.050 0.00 1.00 -ATOM 209 C3N TOP 1 1 9.210 13.471 13.400 0.00 1.00 -ATOM 210 C3O TOP 1 1 9.210 13.471 16.750 0.00 1.00 -ATOM 211 C3P TOP 1 1 27.630 15.597 10.050 0.00 1.00 -ATOM 212 C3Q TOP 1 1 27.630 15.597 13.400 0.00 1.00 -ATOM 213 C3R TOP 1 1 27.630 15.597 16.750 0.00 1.00 -ATOM 214 C3S TOP 1 1 26.402 17.724 10.050 0.00 1.00 -ATOM 215 C3T TOP 1 1 26.402 17.724 13.400 0.00 1.00 -ATOM 216 C3U TOP 1 1 26.402 17.724 16.750 0.00 1.00 -ATOM 217 C3V TOP 1 1 25.174 19.851 10.050 0.00 1.00 -ATOM 218 C3W TOP 1 1 25.174 19.851 13.400 0.00 1.00 -ATOM 219 C3X TOP 1 1 25.174 19.851 16.750 0.00 1.00 -ATOM 220 C3Y TOP 1 1 23.946 21.978 10.050 0.00 1.00 -ATOM 221 C3Z TOP 1 1 23.946 21.978 13.400 0.00 1.00 -ATOM 222 C3a TOP 1 1 23.946 21.978 16.750 0.00 1.00 -ATOM 223 C3b TOP 1 1 22.718 24.105 10.050 0.00 1.00 -ATOM 224 C3c TOP 1 1 22.718 24.105 13.400 0.00 1.00 -ATOM 225 C3d TOP 1 1 22.718 24.105 16.750 0.00 1.00 -ATOM 226 C3e TOP 1 1 21.490 26.232 10.050 0.00 1.00 -ATOM 227 C3f TOP 1 1 21.490 26.232 13.400 0.00 1.00 -ATOM 228 C3g TOP 1 1 21.490 26.232 16.750 0.00 1.00 -ATOM 229 C3h TOP 1 1 20.262 28.359 10.050 0.00 1.00 -ATOM 230 C3i TOP 1 1 20.262 28.359 13.400 0.00 1.00 -ATOM 231 C3j TOP 1 1 20.262 28.359 16.750 0.00 1.00 -ATOM 232 C3k TOP 1 1 19.034 0.709 10.050 0.00 1.00 -ATOM 233 C3l TOP 1 1 19.034 0.709 13.400 0.00 1.00 -ATOM 234 C3m TOP 1 1 19.034 0.709 16.750 0.00 1.00 -ATOM 235 C3n TOP 1 1 17.806 2.836 10.050 0.00 1.00 -ATOM 236 C3o TOP 1 1 17.806 2.836 13.400 0.00 1.00 -ATOM 237 C3p TOP 1 1 17.806 2.836 16.750 0.00 1.00 -ATOM 238 C3q TOP 1 1 16.578 4.963 10.050 0.00 1.00 -ATOM 239 C3r TOP 1 1 16.578 4.963 13.400 0.00 1.00 -ATOM 240 C3s TOP 1 1 16.578 4.963 16.750 0.00 1.00 -ATOM 241 C3t TOP 1 1 15.350 7.090 10.050 0.00 1.00 -ATOM 242 C3u TOP 1 1 15.350 7.090 13.400 0.00 1.00 -ATOM 243 C3v TOP 1 1 15.350 7.090 16.750 0.00 1.00 -ATOM 244 C3w TOP 1 1 14.122 9.217 10.050 0.00 1.00 -ATOM 245 C3x TOP 1 1 14.122 9.217 13.400 0.00 1.00 -ATOM 246 C3y TOP 1 1 14.122 9.217 16.750 0.00 1.00 -ATOM 247 C3z TOP 1 1 12.894 11.344 10.050 0.00 1.00 -ATOM 248 C40 TOP 1 1 12.894 11.344 13.400 0.00 1.00 -ATOM 249 C41 TOP 1 1 12.894 11.344 16.750 0.00 1.00 -ATOM 250 C42 TOP 1 1 11.666 13.471 10.050 0.00 1.00 -ATOM 251 C43 TOP 1 1 11.666 13.471 13.400 0.00 1.00 -ATOM 252 C44 TOP 1 1 11.666 13.471 16.750 0.00 1.00 -ATOM 253 C45 TOP 1 1 0.614 15.597 10.050 0.00 1.00 -ATOM 254 C46 TOP 1 1 0.614 15.597 13.400 0.00 1.00 -ATOM 255 C47 TOP 1 1 0.614 15.597 16.750 0.00 1.00 -ATOM 256 C48 TOP 1 1 28.858 17.724 10.050 0.00 1.00 -ATOM 257 C49 TOP 1 1 28.858 17.724 13.400 0.00 1.00 -ATOM 258 C4A TOP 1 1 28.858 17.724 16.750 0.00 1.00 -ATOM 259 C4B TOP 1 1 27.630 19.851 10.050 0.00 1.00 -ATOM 260 C4C TOP 1 1 27.630 19.851 13.400 0.00 1.00 -ATOM 261 C4D TOP 1 1 27.630 19.851 16.750 0.00 1.00 -ATOM 262 C4E TOP 1 1 26.402 21.978 10.050 0.00 1.00 -ATOM 263 C4F TOP 1 1 26.402 21.978 13.400 0.00 1.00 -ATOM 264 C4G TOP 1 1 26.402 21.978 16.750 0.00 1.00 -ATOM 265 C4H TOP 1 1 25.174 24.105 10.050 0.00 1.00 -ATOM 266 C4I TOP 1 1 25.174 24.105 13.400 0.00 1.00 -ATOM 267 C4J TOP 1 1 25.174 24.105 16.750 0.00 1.00 -ATOM 268 C4K TOP 1 1 23.946 26.232 10.050 0.00 1.00 -ATOM 269 C4L TOP 1 1 23.946 26.232 13.400 0.00 1.00 -ATOM 270 C4M TOP 1 1 23.946 26.232 16.750 0.00 1.00 -ATOM 271 C4N TOP 1 1 22.718 28.359 10.050 0.00 1.00 -ATOM 272 C4O TOP 1 1 22.718 28.359 13.400 0.00 1.00 -ATOM 273 C4P TOP 1 1 22.718 28.359 16.750 0.00 1.00 -ATOM 274 C4Q TOP 1 1 21.490 0.709 10.050 0.00 1.00 -ATOM 275 C4R TOP 1 1 21.490 0.709 13.400 0.00 1.00 -ATOM 276 C4S TOP 1 1 21.490 0.709 16.750 0.00 1.00 -ATOM 277 C4T TOP 1 1 20.262 2.836 10.050 0.00 1.00 -ATOM 278 C4U TOP 1 1 20.262 2.836 13.400 0.00 1.00 -ATOM 279 C4V TOP 1 1 20.262 2.836 16.750 0.00 1.00 -ATOM 280 C4W TOP 1 1 19.034 4.963 10.050 0.00 1.00 -ATOM 281 C4X TOP 1 1 19.034 4.963 13.400 0.00 1.00 -ATOM 282 C4Y TOP 1 1 19.034 4.963 16.750 0.00 1.00 -ATOM 283 C4Z TOP 1 1 17.806 7.090 10.050 0.00 1.00 -ATOM 284 C4a TOP 1 1 17.806 7.090 13.400 0.00 1.00 -ATOM 285 C4b TOP 1 1 17.806 7.090 16.750 0.00 1.00 -ATOM 286 C4c TOP 1 1 16.578 9.217 10.050 0.00 1.00 -ATOM 287 C4d TOP 1 1 16.578 9.217 13.400 0.00 1.00 -ATOM 288 C4e TOP 1 1 16.578 9.217 16.750 0.00 1.00 -ATOM 289 C4f TOP 1 1 15.350 11.344 10.050 0.00 1.00 -ATOM 290 C4g TOP 1 1 15.350 11.344 13.400 0.00 1.00 -ATOM 291 C4h TOP 1 1 15.350 11.344 16.750 0.00 1.00 -ATOM 292 C4i TOP 1 1 14.122 13.471 10.050 0.00 1.00 -ATOM 293 C4j TOP 1 1 14.122 13.471 13.400 0.00 1.00 -ATOM 294 C4k TOP 1 1 14.122 13.471 16.750 0.00 1.00 -ATOM 295 C4l TOP 1 1 3.070 15.597 10.050 0.00 1.00 -ATOM 296 C4m TOP 1 1 3.070 15.597 13.400 0.00 1.00 -ATOM 297 C4n TOP 1 1 3.070 15.597 16.750 0.00 1.00 -ATOM 298 C4o TOP 1 1 1.842 17.724 10.050 0.00 1.00 -ATOM 299 C4p TOP 1 1 1.842 17.724 13.400 0.00 1.00 -ATOM 300 C4q TOP 1 1 1.842 17.724 16.750 0.00 1.00 -ATOM 301 C4r TOP 1 1 0.614 19.851 10.050 0.00 1.00 -ATOM 302 C4s TOP 1 1 0.614 19.851 13.400 0.00 1.00 -ATOM 303 C4t TOP 1 1 0.614 19.851 16.750 0.00 1.00 -ATOM 304 C4u TOP 1 1 28.858 21.978 10.050 0.00 1.00 -ATOM 305 C4v TOP 1 1 28.858 21.978 13.400 0.00 1.00 -ATOM 306 C4w TOP 1 1 28.858 21.978 16.750 0.00 1.00 -ATOM 307 C4x TOP 1 1 27.630 24.105 10.050 0.00 1.00 -ATOM 308 C4y TOP 1 1 27.630 24.105 13.400 0.00 1.00 -ATOM 309 C4z TOP 1 1 27.630 24.105 16.750 0.00 1.00 -ATOM 310 C50 TOP 1 1 26.402 26.232 10.050 0.00 1.00 -ATOM 311 C51 TOP 1 1 26.402 26.232 13.400 0.00 1.00 -ATOM 312 C52 TOP 1 1 26.402 26.232 16.750 0.00 1.00 -ATOM 313 C53 TOP 1 1 25.174 28.359 10.050 0.00 1.00 -ATOM 314 C54 TOP 1 1 25.174 28.359 13.400 0.00 1.00 -ATOM 315 C55 TOP 1 1 25.174 28.359 16.750 0.00 1.00 -ATOM 316 C56 TOP 1 1 23.946 0.709 10.050 0.00 1.00 -ATOM 317 C57 TOP 1 1 23.946 0.709 13.400 0.00 1.00 -ATOM 318 C58 TOP 1 1 23.946 0.709 16.750 0.00 1.00 -ATOM 319 C59 TOP 1 1 22.718 2.836 10.050 0.00 1.00 -ATOM 320 C5A TOP 1 1 22.718 2.836 13.400 0.00 1.00 -ATOM 321 C5B TOP 1 1 22.718 2.836 16.750 0.00 1.00 -ATOM 322 C5C TOP 1 1 21.490 4.963 10.050 0.00 1.00 -ATOM 323 C5D TOP 1 1 21.490 4.963 13.400 0.00 1.00 -ATOM 324 C5E TOP 1 1 21.490 4.963 16.750 0.00 1.00 -ATOM 325 C5F TOP 1 1 20.262 7.090 10.050 0.00 1.00 -ATOM 326 C5G TOP 1 1 20.262 7.090 13.400 0.00 1.00 -ATOM 327 C5H TOP 1 1 20.262 7.090 16.750 0.00 1.00 -ATOM 328 C5I TOP 1 1 19.034 9.217 10.050 0.00 1.00 -ATOM 329 C5J TOP 1 1 19.034 9.217 13.400 0.00 1.00 -ATOM 330 C5K TOP 1 1 19.034 9.217 16.750 0.00 1.00 -ATOM 331 C5L TOP 1 1 17.806 11.344 10.050 0.00 1.00 -ATOM 332 C5M TOP 1 1 17.806 11.344 13.400 0.00 1.00 -ATOM 333 C5N TOP 1 1 17.806 11.344 16.750 0.00 1.00 -ATOM 334 C5O TOP 1 1 16.578 13.471 10.050 0.00 1.00 -ATOM 335 C5P TOP 1 1 16.578 13.471 13.400 0.00 1.00 -ATOM 336 C5Q TOP 1 1 16.578 13.471 16.750 0.00 1.00 -ATOM 337 C5R TOP 1 1 5.526 15.597 10.050 0.00 1.00 -ATOM 338 C5S TOP 1 1 5.526 15.597 13.400 0.00 1.00 -ATOM 339 C5T TOP 1 1 5.526 15.597 16.750 0.00 1.00 -ATOM 340 C5U TOP 1 1 4.298 17.724 10.050 0.00 1.00 -ATOM 341 C5V TOP 1 1 4.298 17.724 13.400 0.00 1.00 -ATOM 342 C5W TOP 1 1 4.298 17.724 16.750 0.00 1.00 -ATOM 343 C5X TOP 1 1 3.070 19.851 10.050 0.00 1.00 -ATOM 344 C5Y TOP 1 1 3.070 19.851 13.400 0.00 1.00 -ATOM 345 C5Z TOP 1 1 3.070 19.851 16.750 0.00 1.00 -ATOM 346 C5a TOP 1 1 1.842 21.978 10.050 0.00 1.00 -ATOM 347 C5b TOP 1 1 1.842 21.978 13.400 0.00 1.00 -ATOM 348 C5c TOP 1 1 1.842 21.978 16.750 0.00 1.00 -ATOM 349 C5d TOP 1 1 0.614 24.105 10.050 0.00 1.00 -ATOM 350 C5e TOP 1 1 0.614 24.105 13.400 0.00 1.00 -ATOM 351 C5f TOP 1 1 0.614 24.105 16.750 0.00 1.00 -ATOM 352 C5g TOP 1 1 28.858 26.232 10.050 0.00 1.00 -ATOM 353 C5h TOP 1 1 28.858 26.232 13.400 0.00 1.00 -ATOM 354 C5i TOP 1 1 28.858 26.232 16.750 0.00 1.00 -ATOM 355 C5j TOP 1 1 27.630 28.359 10.050 0.00 1.00 -ATOM 356 C5k TOP 1 1 27.630 28.359 13.400 0.00 1.00 -ATOM 357 C5l TOP 1 1 27.630 28.359 16.750 0.00 1.00 -ATOM 358 C5m TOP 1 1 26.402 0.709 10.050 0.00 1.00 -ATOM 359 C5n TOP 1 1 26.402 0.709 13.400 0.00 1.00 -ATOM 360 C5o TOP 1 1 26.402 0.709 16.750 0.00 1.00 -ATOM 361 C5p TOP 1 1 25.174 2.836 10.050 0.00 1.00 -ATOM 362 C5q TOP 1 1 25.174 2.836 13.400 0.00 1.00 -ATOM 363 C5r TOP 1 1 25.174 2.836 16.750 0.00 1.00 -ATOM 364 C5s TOP 1 1 23.946 4.963 10.050 0.00 1.00 -ATOM 365 C5t TOP 1 1 23.946 4.963 13.400 0.00 1.00 -ATOM 366 C5u TOP 1 1 23.946 4.963 16.750 0.00 1.00 -ATOM 367 C5v TOP 1 1 22.718 7.090 10.050 0.00 1.00 -ATOM 368 C5w TOP 1 1 22.718 7.090 13.400 0.00 1.00 -ATOM 369 C5x TOP 1 1 22.718 7.090 16.750 0.00 1.00 -ATOM 370 C5y TOP 1 1 21.490 9.217 10.050 0.00 1.00 -ATOM 371 C5z TOP 1 1 21.490 9.217 13.400 0.00 1.00 -ATOM 372 C60 TOP 1 1 21.490 9.217 16.750 0.00 1.00 -ATOM 373 C61 TOP 1 1 20.262 11.344 10.050 0.00 1.00 -ATOM 374 C62 TOP 1 1 20.262 11.344 13.400 0.00 1.00 -ATOM 375 C63 TOP 1 1 20.262 11.344 16.750 0.00 1.00 -ATOM 376 C64 TOP 1 1 19.034 13.471 10.050 0.00 1.00 -ATOM 377 C65 TOP 1 1 19.034 13.471 13.400 0.00 1.00 -ATOM 378 C66 TOP 1 1 19.034 13.471 16.750 0.00 1.00 -ATOM 379 C67 TOP 1 1 7.982 15.597 10.050 0.00 1.00 -ATOM 380 C68 TOP 1 1 7.982 15.597 13.400 0.00 1.00 -ATOM 381 C69 TOP 1 1 7.982 15.597 16.750 0.00 1.00 -ATOM 382 C6A TOP 1 1 6.754 17.724 10.050 0.00 1.00 -ATOM 383 C6B TOP 1 1 6.754 17.724 13.400 0.00 1.00 -ATOM 384 C6C TOP 1 1 6.754 17.724 16.750 0.00 1.00 -ATOM 385 C6D TOP 1 1 5.526 19.851 10.050 0.00 1.00 -ATOM 386 C6E TOP 1 1 5.526 19.851 13.400 0.00 1.00 -ATOM 387 C6F TOP 1 1 5.526 19.851 16.750 0.00 1.00 -ATOM 388 C6G TOP 1 1 4.298 21.978 10.050 0.00 1.00 -ATOM 389 C6H TOP 1 1 4.298 21.978 13.400 0.00 1.00 -ATOM 390 C6I TOP 1 1 4.298 21.978 16.750 0.00 1.00 -ATOM 391 C6J TOP 1 1 3.070 24.105 10.050 0.00 1.00 -ATOM 392 C6K TOP 1 1 3.070 24.105 13.400 0.00 1.00 -ATOM 393 C6L TOP 1 1 3.070 24.105 16.750 0.00 1.00 -ATOM 394 C6M TOP 1 1 1.842 26.232 10.050 0.00 1.00 -ATOM 395 C6N TOP 1 1 1.842 26.232 13.400 0.00 1.00 -ATOM 396 C6O TOP 1 1 1.842 26.232 16.750 0.00 1.00 -ATOM 397 C6P TOP 1 1 0.614 28.359 10.050 0.00 1.00 -ATOM 398 C6Q TOP 1 1 0.614 28.359 13.400 0.00 1.00 -ATOM 399 C6R TOP 1 1 0.614 28.359 16.750 0.00 1.00 -ATOM 400 C6S TOP 1 1 28.858 0.709 10.050 0.00 1.00 -ATOM 401 C6T TOP 1 1 28.858 0.709 13.400 0.00 1.00 -ATOM 402 C6U TOP 1 1 28.858 0.709 16.750 0.00 1.00 -ATOM 403 C6V TOP 1 1 27.630 2.836 10.050 0.00 1.00 -ATOM 404 C6W TOP 1 1 27.630 2.836 13.400 0.00 1.00 -ATOM 405 C6X TOP 1 1 27.630 2.836 16.750 0.00 1.00 -ATOM 406 C6Y TOP 1 1 26.402 4.963 10.050 0.00 1.00 -ATOM 407 C6Z TOP 1 1 26.402 4.963 13.400 0.00 1.00 -ATOM 408 C6a TOP 1 1 26.402 4.963 16.750 0.00 1.00 -ATOM 409 C6b TOP 1 1 25.174 7.090 10.050 0.00 1.00 -ATOM 410 C6c TOP 1 1 25.174 7.090 13.400 0.00 1.00 -ATOM 411 C6d TOP 1 1 25.174 7.090 16.750 0.00 1.00 -ATOM 412 C6e TOP 1 1 23.946 9.217 10.050 0.00 1.00 -ATOM 413 C6f TOP 1 1 23.946 9.217 13.400 0.00 1.00 -ATOM 414 C6g TOP 1 1 23.946 9.217 16.750 0.00 1.00 -ATOM 415 C6h TOP 1 1 22.718 11.344 10.050 0.00 1.00 -ATOM 416 C6i TOP 1 1 22.718 11.344 13.400 0.00 1.00 -ATOM 417 C6j TOP 1 1 22.718 11.344 16.750 0.00 1.00 -ATOM 418 C6k TOP 1 1 21.490 13.471 10.050 0.00 1.00 -ATOM 419 C6l TOP 1 1 21.490 13.471 13.400 0.00 1.00 -ATOM 420 C6m TOP 1 1 21.490 13.471 16.750 0.00 1.00 -ATOM 421 C6n TOP 1 1 10.438 15.597 10.050 0.00 1.00 -ATOM 422 C6o TOP 1 1 10.438 15.597 13.400 0.00 1.00 -ATOM 423 C6p TOP 1 1 10.438 15.597 16.750 0.00 1.00 -ATOM 424 C6q TOP 1 1 9.210 17.724 10.050 0.00 1.00 -ATOM 425 C6r TOP 1 1 9.210 17.724 13.400 0.00 1.00 -ATOM 426 C6s TOP 1 1 9.210 17.724 16.750 0.00 1.00 -ATOM 427 C6t TOP 1 1 7.982 19.851 10.050 0.00 1.00 -ATOM 428 C6u TOP 1 1 7.982 19.851 13.400 0.00 1.00 -ATOM 429 C6v TOP 1 1 7.982 19.851 16.750 0.00 1.00 -ATOM 430 C6w TOP 1 1 6.754 21.978 10.050 0.00 1.00 -ATOM 431 C6x TOP 1 1 6.754 21.978 13.400 0.00 1.00 -ATOM 432 C6y TOP 1 1 6.754 21.978 16.750 0.00 1.00 -ATOM 433 C6z TOP 1 1 5.526 24.105 10.050 0.00 1.00 -ATOM 434 C70 TOP 1 1 5.526 24.105 13.400 0.00 1.00 -ATOM 435 C71 TOP 1 1 5.526 24.105 16.750 0.00 1.00 -ATOM 436 C72 TOP 1 1 4.298 26.232 10.050 0.00 1.00 -ATOM 437 C73 TOP 1 1 4.298 26.232 13.400 0.00 1.00 -ATOM 438 C74 TOP 1 1 4.298 26.232 16.750 0.00 1.00 -ATOM 439 C75 TOP 1 1 3.070 28.359 10.050 0.00 1.00 -ATOM 440 C76 TOP 1 1 3.070 28.359 13.400 0.00 1.00 -ATOM 441 C77 TOP 1 1 3.070 28.359 16.750 0.00 1.00 -ATOM 442 C78 TOP 1 1 1.842 0.709 10.050 0.00 1.00 -ATOM 443 C79 TOP 1 1 1.842 0.709 13.400 0.00 1.00 -ATOM 444 C7A TOP 1 1 1.842 0.709 16.750 0.00 1.00 -ATOM 445 C7B TOP 1 1 0.614 2.836 10.050 0.00 1.00 -ATOM 446 C7C TOP 1 1 0.614 2.836 13.400 0.00 1.00 -ATOM 447 C7D TOP 1 1 0.614 2.836 16.750 0.00 1.00 -ATOM 448 C7E TOP 1 1 28.858 4.963 10.050 0.00 1.00 -ATOM 449 C7F TOP 1 1 28.858 4.963 13.400 0.00 1.00 -ATOM 450 C7G TOP 1 1 28.858 4.963 16.750 0.00 1.00 -ATOM 451 C7H TOP 1 1 27.630 7.090 10.050 0.00 1.00 -ATOM 452 C7I TOP 1 1 27.630 7.090 13.400 0.00 1.00 -ATOM 453 C7J TOP 1 1 27.630 7.090 16.750 0.00 1.00 -ATOM 454 C7K TOP 1 1 26.402 9.217 10.050 0.00 1.00 -ATOM 455 C7L TOP 1 1 26.402 9.217 13.400 0.00 1.00 -ATOM 456 C7M TOP 1 1 26.402 9.217 16.750 0.00 1.00 -ATOM 457 C7N TOP 1 1 25.174 11.344 10.050 0.00 1.00 -ATOM 458 C7O TOP 1 1 25.174 11.344 13.400 0.00 1.00 -ATOM 459 C7P TOP 1 1 25.174 11.344 16.750 0.00 1.00 -ATOM 460 C7Q TOP 1 1 23.946 13.471 10.050 0.00 1.00 -ATOM 461 C7R TOP 1 1 23.946 13.471 13.400 0.00 1.00 -ATOM 462 C7S TOP 1 1 23.946 13.471 16.750 0.00 1.00 -ATOM 463 C7T TOP 1 1 12.894 15.597 10.050 0.00 1.00 -ATOM 464 C7U TOP 1 1 12.894 15.597 13.400 0.00 1.00 -ATOM 465 C7V TOP 1 1 12.894 15.597 16.750 0.00 1.00 -ATOM 466 C7W TOP 1 1 11.666 17.724 10.050 0.00 1.00 -ATOM 467 C7X TOP 1 1 11.666 17.724 13.400 0.00 1.00 -ATOM 468 C7Y TOP 1 1 11.666 17.724 16.750 0.00 1.00 -ATOM 469 C7Z TOP 1 1 10.438 19.851 10.050 0.00 1.00 -ATOM 470 C7a TOP 1 1 10.438 19.851 13.400 0.00 1.00 -ATOM 471 C7b TOP 1 1 10.438 19.851 16.750 0.00 1.00 -ATOM 472 C7c TOP 1 1 9.210 21.978 10.050 0.00 1.00 -ATOM 473 C7d TOP 1 1 9.210 21.978 13.400 0.00 1.00 -ATOM 474 C7e TOP 1 1 9.210 21.978 16.750 0.00 1.00 -ATOM 475 C7f TOP 1 1 7.982 24.105 10.050 0.00 1.00 -ATOM 476 C7g TOP 1 1 7.982 24.105 13.400 0.00 1.00 -ATOM 477 C7h TOP 1 1 7.982 24.105 16.750 0.00 1.00 -ATOM 478 C7i TOP 1 1 6.754 26.232 10.050 0.00 1.00 -ATOM 479 C7j TOP 1 1 6.754 26.232 13.400 0.00 1.00 -ATOM 480 C7k TOP 1 1 6.754 26.232 16.750 0.00 1.00 -ATOM 481 C7l TOP 1 1 5.526 28.359 10.050 0.00 1.00 -ATOM 482 C7m TOP 1 1 5.526 28.359 13.400 0.00 1.00 -ATOM 483 C7n TOP 1 1 5.526 28.359 16.750 0.00 1.00 -ATOM 484 C7o TOP 1 1 4.298 0.709 10.050 0.00 1.00 -ATOM 485 C7p TOP 1 1 4.298 0.709 13.400 0.00 1.00 -ATOM 486 C7q TOP 1 1 4.298 0.709 16.750 0.00 1.00 -ATOM 487 C7r TOP 1 1 3.070 2.836 10.050 0.00 1.00 -ATOM 488 C7s TOP 1 1 3.070 2.836 13.400 0.00 1.00 -ATOM 489 C7t TOP 1 1 3.070 2.836 16.750 0.00 1.00 -ATOM 490 C7u TOP 1 1 1.842 4.963 10.050 0.00 1.00 -ATOM 491 C7v TOP 1 1 1.842 4.963 13.400 0.00 1.00 -ATOM 492 C7w TOP 1 1 1.842 4.963 16.750 0.00 1.00 -ATOM 493 C7x TOP 1 1 0.614 7.090 10.050 0.00 1.00 -ATOM 494 C7y TOP 1 1 0.614 7.090 13.400 0.00 1.00 -ATOM 495 C7z TOP 1 1 0.614 7.090 16.750 0.00 1.00 -ATOM 496 C80 TOP 1 1 28.858 9.217 10.050 0.00 1.00 -ATOM 497 C81 TOP 1 1 28.858 9.217 13.400 0.00 1.00 -ATOM 498 C82 TOP 1 1 28.858 9.217 16.750 0.00 1.00 -ATOM 499 C83 TOP 1 1 27.630 11.344 10.050 0.00 1.00 -ATOM 500 C84 TOP 1 1 27.630 11.344 13.400 0.00 1.00 -ATOM 501 C85 TOP 1 1 27.630 11.344 16.750 0.00 1.00 -ATOM 502 C86 TOP 1 1 26.402 13.471 10.050 0.00 1.00 -ATOM 503 C87 TOP 1 1 26.402 13.471 13.400 0.00 1.00 -ATOM 504 C88 TOP 1 1 26.402 13.471 16.750 0.00 1.00 -ATOM 505 C89 TOP 1 1 16.578 16.306 10.050 0.00 1.00 -ATOM 506 C8A TOP 1 1 16.578 16.306 13.400 0.00 1.00 -ATOM 507 C8B TOP 1 1 16.578 16.306 16.750 0.00 1.00 -ATOM 508 C8C TOP 1 1 15.350 18.433 10.050 0.00 1.00 -ATOM 509 C8D TOP 1 1 15.350 18.433 13.400 0.00 1.00 -ATOM 510 C8E TOP 1 1 15.350 18.433 16.750 0.00 1.00 -ATOM 511 C8F TOP 1 1 14.122 20.560 10.050 0.00 1.00 -ATOM 512 C8G TOP 1 1 14.122 20.560 13.400 0.00 1.00 -ATOM 513 C8H TOP 1 1 14.122 20.560 16.750 0.00 1.00 -ATOM 514 C8I TOP 1 1 12.894 22.687 10.050 0.00 1.00 -ATOM 515 C8J TOP 1 1 12.894 22.687 13.400 0.00 1.00 -ATOM 516 C8K TOP 1 1 12.894 22.687 16.750 0.00 1.00 -ATOM 517 C8L TOP 1 1 11.666 24.814 10.050 0.00 1.00 -ATOM 518 C8M TOP 1 1 11.666 24.814 13.400 0.00 1.00 -ATOM 519 C8N TOP 1 1 11.666 24.814 16.750 0.00 1.00 -ATOM 520 C8O TOP 1 1 10.438 26.941 10.050 0.00 1.00 -ATOM 521 C8P TOP 1 1 10.438 26.941 13.400 0.00 1.00 -ATOM 522 C8Q TOP 1 1 10.438 26.941 16.750 0.00 1.00 -ATOM 523 C8R TOP 1 1 9.210 29.068 10.050 0.00 1.00 -ATOM 524 C8S TOP 1 1 9.210 29.068 13.400 0.00 1.00 -ATOM 525 C8T TOP 1 1 9.210 29.068 16.750 0.00 1.00 -ATOM 526 C8U TOP 1 1 7.982 1.418 10.050 0.00 1.00 -ATOM 527 C8V TOP 1 1 7.982 1.418 13.400 0.00 1.00 -ATOM 528 C8W TOP 1 1 7.982 1.418 16.750 0.00 1.00 -ATOM 529 C8X TOP 1 1 6.754 3.545 10.050 0.00 1.00 -ATOM 530 C8Y TOP 1 1 6.754 3.545 13.400 0.00 1.00 -ATOM 531 C8Z TOP 1 1 6.754 3.545 16.750 0.00 1.00 -ATOM 532 C8a TOP 1 1 5.526 5.672 10.050 0.00 1.00 -ATOM 533 C8b TOP 1 1 5.526 5.672 13.400 0.00 1.00 -ATOM 534 C8c TOP 1 1 5.526 5.672 16.750 0.00 1.00 -ATOM 535 C8d TOP 1 1 4.298 7.799 10.050 0.00 1.00 -ATOM 536 C8e TOP 1 1 4.298 7.799 13.400 0.00 1.00 -ATOM 537 C8f TOP 1 1 4.298 7.799 16.750 0.00 1.00 -ATOM 538 C8g TOP 1 1 3.070 9.926 10.050 0.00 1.00 -ATOM 539 C8h TOP 1 1 3.070 9.926 13.400 0.00 1.00 -ATOM 540 C8i TOP 1 1 3.070 9.926 16.750 0.00 1.00 -ATOM 541 C8j TOP 1 1 1.842 12.053 10.050 0.00 1.00 -ATOM 542 C8k TOP 1 1 1.842 12.053 13.400 0.00 1.00 -ATOM 543 C8l TOP 1 1 1.842 12.053 16.750 0.00 1.00 -ATOM 544 C8m TOP 1 1 0.614 14.180 10.050 0.00 1.00 -ATOM 545 C8n TOP 1 1 0.614 14.180 13.400 0.00 1.00 -ATOM 546 C8o TOP 1 1 0.614 14.180 16.750 0.00 1.00 -ATOM 547 C8p TOP 1 1 19.034 16.306 10.050 0.00 1.00 -ATOM 548 C8q TOP 1 1 19.034 16.306 13.400 0.00 1.00 -ATOM 549 C8r TOP 1 1 19.034 16.306 16.750 0.00 1.00 -ATOM 550 C8s TOP 1 1 17.806 18.433 10.050 0.00 1.00 -ATOM 551 C8t TOP 1 1 17.806 18.433 13.400 0.00 1.00 -ATOM 552 C8u TOP 1 1 17.806 18.433 16.750 0.00 1.00 -ATOM 553 C8v TOP 1 1 16.578 20.560 10.050 0.00 1.00 -ATOM 554 C8w TOP 1 1 16.578 20.560 13.400 0.00 1.00 -ATOM 555 C8x TOP 1 1 16.578 20.560 16.750 0.00 1.00 -ATOM 556 C8y TOP 1 1 15.350 22.687 10.050 0.00 1.00 -ATOM 557 C8z TOP 1 1 15.350 22.687 13.400 0.00 1.00 -ATOM 558 C90 TOP 1 1 15.350 22.687 16.750 0.00 1.00 -ATOM 559 C91 TOP 1 1 14.122 24.814 10.050 0.00 1.00 -ATOM 560 C92 TOP 1 1 14.122 24.814 13.400 0.00 1.00 -ATOM 561 C93 TOP 1 1 14.122 24.814 16.750 0.00 1.00 -ATOM 562 C94 TOP 1 1 12.894 26.941 10.050 0.00 1.00 -ATOM 563 C95 TOP 1 1 12.894 26.941 13.400 0.00 1.00 -ATOM 564 C96 TOP 1 1 12.894 26.941 16.750 0.00 1.00 -ATOM 565 C97 TOP 1 1 11.666 29.068 10.050 0.00 1.00 -ATOM 566 C98 TOP 1 1 11.666 29.068 13.400 0.00 1.00 -ATOM 567 C99 TOP 1 1 11.666 29.068 16.750 0.00 1.00 -ATOM 568 C9A TOP 1 1 10.438 1.418 10.050 0.00 1.00 -ATOM 569 C9B TOP 1 1 10.438 1.418 13.400 0.00 1.00 -ATOM 570 C9C TOP 1 1 10.438 1.418 16.750 0.00 1.00 -ATOM 571 C9D TOP 1 1 9.210 3.545 10.050 0.00 1.00 -ATOM 572 C9E TOP 1 1 9.210 3.545 13.400 0.00 1.00 -ATOM 573 C9F TOP 1 1 9.210 3.545 16.750 0.00 1.00 -ATOM 574 C9G TOP 1 1 7.982 5.672 10.050 0.00 1.00 -ATOM 575 C9H TOP 1 1 7.982 5.672 13.400 0.00 1.00 -ATOM 576 C9I TOP 1 1 7.982 5.672 16.750 0.00 1.00 -ATOM 577 C9J TOP 1 1 6.754 7.799 10.050 0.00 1.00 -ATOM 578 C9K TOP 1 1 6.754 7.799 13.400 0.00 1.00 -ATOM 579 C9L TOP 1 1 6.754 7.799 16.750 0.00 1.00 -ATOM 580 C9M TOP 1 1 5.526 9.926 10.050 0.00 1.00 -ATOM 581 C9N TOP 1 1 5.526 9.926 13.400 0.00 1.00 -ATOM 582 C9O TOP 1 1 5.526 9.926 16.750 0.00 1.00 -ATOM 583 C9P TOP 1 1 4.298 12.053 10.050 0.00 1.00 -ATOM 584 C9Q TOP 1 1 4.298 12.053 13.400 0.00 1.00 -ATOM 585 C9R TOP 1 1 4.298 12.053 16.750 0.00 1.00 -ATOM 586 C9S TOP 1 1 3.070 14.180 10.050 0.00 1.00 -ATOM 587 C9T TOP 1 1 3.070 14.180 13.400 0.00 1.00 -ATOM 588 C9U TOP 1 1 3.070 14.180 16.750 0.00 1.00 -ATOM 589 C9V TOP 1 1 21.490 16.306 10.050 0.00 1.00 -ATOM 590 C9W TOP 1 1 21.490 16.306 13.400 0.00 1.00 -ATOM 591 C9X TOP 1 1 21.490 16.306 16.750 0.00 1.00 -ATOM 592 C9Y TOP 1 1 20.262 18.433 10.050 0.00 1.00 -ATOM 593 C9Z TOP 1 1 20.262 18.433 13.400 0.00 1.00 -ATOM 594 C9a TOP 1 1 20.262 18.433 16.750 0.00 1.00 -ATOM 595 C9b TOP 1 1 19.034 20.560 10.050 0.00 1.00 -ATOM 596 C9c TOP 1 1 19.034 20.560 13.400 0.00 1.00 -ATOM 597 C9d TOP 1 1 19.034 20.560 16.750 0.00 1.00 -ATOM 598 C9e TOP 1 1 17.806 22.687 10.050 0.00 1.00 -ATOM 599 C9f TOP 1 1 17.806 22.687 13.400 0.00 1.00 -ATOM 600 C9g TOP 1 1 17.806 22.687 16.750 0.00 1.00 -ATOM 601 C9h TOP 1 1 16.578 24.814 10.050 0.00 1.00 -ATOM 602 C9i TOP 1 1 16.578 24.814 13.400 0.00 1.00 -ATOM 603 C9j TOP 1 1 16.578 24.814 16.750 0.00 1.00 -ATOM 604 C9k TOP 1 1 15.350 26.941 10.050 0.00 1.00 -ATOM 605 C9l TOP 1 1 15.350 26.941 13.400 0.00 1.00 -ATOM 606 C9m TOP 1 1 15.350 26.941 16.750 0.00 1.00 -ATOM 607 C9n TOP 1 1 14.122 29.068 10.050 0.00 1.00 -ATOM 608 C9o TOP 1 1 14.122 29.068 13.400 0.00 1.00 -ATOM 609 C9p TOP 1 1 14.122 29.068 16.750 0.00 1.00 -ATOM 610 C9q TOP 1 1 12.894 1.418 10.050 0.00 1.00 -ATOM 611 C9r TOP 1 1 12.894 1.418 13.400 0.00 1.00 -ATOM 612 C9s TOP 1 1 12.894 1.418 16.750 0.00 1.00 -ATOM 613 C9t TOP 1 1 11.666 3.545 10.050 0.00 1.00 -ATOM 614 C9u TOP 1 1 11.666 3.545 13.400 0.00 1.00 -ATOM 615 C9v TOP 1 1 11.666 3.545 16.750 0.00 1.00 -ATOM 616 C9w TOP 1 1 10.438 5.672 10.050 0.00 1.00 -ATOM 617 C9x TOP 1 1 10.438 5.672 13.400 0.00 1.00 -ATOM 618 C9y TOP 1 1 10.438 5.672 16.750 0.00 1.00 -ATOM 619 C9z TOP 1 1 9.210 7.799 10.050 0.00 1.00 -ATOM 620 CA0 TOP 1 1 9.210 7.799 13.400 0.00 1.00 -ATOM 621 CA1 TOP 1 1 9.210 7.799 16.750 0.00 1.00 -ATOM 622 CA2 TOP 1 1 7.982 9.926 10.050 0.00 1.00 -ATOM 623 CA3 TOP 1 1 7.982 9.926 13.400 0.00 1.00 -ATOM 624 CA4 TOP 1 1 7.982 9.926 16.750 0.00 1.00 -ATOM 625 CA5 TOP 1 1 6.754 12.053 10.050 0.00 1.00 -ATOM 626 CA6 TOP 1 1 6.754 12.053 13.400 0.00 1.00 -ATOM 627 CA7 TOP 1 1 6.754 12.053 16.750 0.00 1.00 -ATOM 628 CA8 TOP 1 1 5.526 14.180 10.050 0.00 1.00 -ATOM 629 CA9 TOP 1 1 5.526 14.180 13.400 0.00 1.00 -ATOM 630 CAA TOP 1 1 5.526 14.180 16.750 0.00 1.00 -ATOM 631 CAB TOP 1 1 23.946 16.306 10.050 0.00 1.00 -ATOM 632 CAC TOP 1 1 23.946 16.306 13.400 0.00 1.00 -ATOM 633 CAD TOP 1 1 23.946 16.306 16.750 0.00 1.00 -ATOM 634 CAE TOP 1 1 22.718 18.433 10.050 0.00 1.00 -ATOM 635 CAF TOP 1 1 22.718 18.433 13.400 0.00 1.00 -ATOM 636 CAG TOP 1 1 22.718 18.433 16.750 0.00 1.00 -ATOM 637 CAH TOP 1 1 21.490 20.560 10.050 0.00 1.00 -ATOM 638 CAI TOP 1 1 21.490 20.560 13.400 0.00 1.00 -ATOM 639 CAJ TOP 1 1 21.490 20.560 16.750 0.00 1.00 -ATOM 640 CAK TOP 1 1 20.262 22.687 10.050 0.00 1.00 -ATOM 641 CAL TOP 1 1 20.262 22.687 13.400 0.00 1.00 -ATOM 642 CAM TOP 1 1 20.262 22.687 16.750 0.00 1.00 -ATOM 643 CAN TOP 1 1 19.034 24.814 10.050 0.00 1.00 -ATOM 644 CAO TOP 1 1 19.034 24.814 13.400 0.00 1.00 -ATOM 645 CAP TOP 1 1 19.034 24.814 16.750 0.00 1.00 -ATOM 646 CAQ TOP 1 1 17.806 26.941 10.050 0.00 1.00 -ATOM 647 CAR TOP 1 1 17.806 26.941 13.400 0.00 1.00 -ATOM 648 CAS TOP 1 1 17.806 26.941 16.750 0.00 1.00 -ATOM 649 CAT TOP 1 1 16.578 29.068 10.050 0.00 1.00 -ATOM 650 CAU TOP 1 1 16.578 29.068 13.400 0.00 1.00 -ATOM 651 CAV TOP 1 1 16.578 29.068 16.750 0.00 1.00 -ATOM 652 CAW TOP 1 1 15.350 1.418 10.050 0.00 1.00 -ATOM 653 CAX TOP 1 1 15.350 1.418 13.400 0.00 1.00 -ATOM 654 CAY TOP 1 1 15.350 1.418 16.750 0.00 1.00 -ATOM 655 CAZ TOP 1 1 14.122 3.545 10.050 0.00 1.00 -ATOM 656 CAa TOP 1 1 14.122 3.545 13.400 0.00 1.00 -ATOM 657 CAb TOP 1 1 14.122 3.545 16.750 0.00 1.00 -ATOM 658 CAc TOP 1 1 12.894 5.672 10.050 0.00 1.00 -ATOM 659 CAd TOP 1 1 12.894 5.672 13.400 0.00 1.00 -ATOM 660 CAe TOP 1 1 12.894 5.672 16.750 0.00 1.00 -ATOM 661 CAf TOP 1 1 11.666 7.799 10.050 0.00 1.00 -ATOM 662 CAg TOP 1 1 11.666 7.799 13.400 0.00 1.00 -ATOM 663 CAh TOP 1 1 11.666 7.799 16.750 0.00 1.00 -ATOM 664 CAi TOP 1 1 10.438 9.926 10.050 0.00 1.00 -ATOM 665 CAj TOP 1 1 10.438 9.926 13.400 0.00 1.00 -ATOM 666 CAk TOP 1 1 10.438 9.926 16.750 0.00 1.00 -ATOM 667 CAl TOP 1 1 9.210 12.053 10.050 0.00 1.00 -ATOM 668 CAm TOP 1 1 9.210 12.053 13.400 0.00 1.00 -ATOM 669 CAn TOP 1 1 9.210 12.053 16.750 0.00 1.00 -ATOM 670 CAo TOP 1 1 7.982 14.180 10.050 0.00 1.00 -ATOM 671 CAp TOP 1 1 7.982 14.180 13.400 0.00 1.00 -ATOM 672 CAq TOP 1 1 7.982 14.180 16.750 0.00 1.00 -ATOM 673 CAr TOP 1 1 26.402 16.306 10.050 0.00 1.00 -ATOM 674 CAs TOP 1 1 26.402 16.306 13.400 0.00 1.00 -ATOM 675 CAt TOP 1 1 26.402 16.306 16.750 0.00 1.00 -ATOM 676 CAu TOP 1 1 25.174 18.433 10.050 0.00 1.00 -ATOM 677 CAv TOP 1 1 25.174 18.433 13.400 0.00 1.00 -ATOM 678 CAw TOP 1 1 25.174 18.433 16.750 0.00 1.00 -ATOM 679 CAx TOP 1 1 23.946 20.560 10.050 0.00 1.00 -ATOM 680 CAy TOP 1 1 23.946 20.560 13.400 0.00 1.00 -ATOM 681 CAz TOP 1 1 23.946 20.560 16.750 0.00 1.00 -ATOM 682 CB0 TOP 1 1 22.718 22.687 10.050 0.00 1.00 -ATOM 683 CB1 TOP 1 1 22.718 22.687 13.400 0.00 1.00 -ATOM 684 CB2 TOP 1 1 22.718 22.687 16.750 0.00 1.00 -ATOM 685 CB3 TOP 1 1 21.490 24.814 10.050 0.00 1.00 -ATOM 686 CB4 TOP 1 1 21.490 24.814 13.400 0.00 1.00 -ATOM 687 CB5 TOP 1 1 21.490 24.814 16.750 0.00 1.00 -ATOM 688 CB6 TOP 1 1 20.262 26.941 10.050 0.00 1.00 -ATOM 689 CB7 TOP 1 1 20.262 26.941 13.400 0.00 1.00 -ATOM 690 CB8 TOP 1 1 20.262 26.941 16.750 0.00 1.00 -ATOM 691 CB9 TOP 1 1 19.034 29.068 10.050 0.00 1.00 -ATOM 692 CBA TOP 1 1 19.034 29.068 13.400 0.00 1.00 -ATOM 693 CBB TOP 1 1 19.034 29.068 16.750 0.00 1.00 -ATOM 694 CBC TOP 1 1 17.806 1.418 10.050 0.00 1.00 -ATOM 695 CBD TOP 1 1 17.806 1.418 13.400 0.00 1.00 -ATOM 696 CBE TOP 1 1 17.806 1.418 16.750 0.00 1.00 -ATOM 697 CBF TOP 1 1 16.578 3.545 10.050 0.00 1.00 -ATOM 698 CBG TOP 1 1 16.578 3.545 13.400 0.00 1.00 -ATOM 699 CBH TOP 1 1 16.578 3.545 16.750 0.00 1.00 -ATOM 700 CBI TOP 1 1 15.350 5.672 10.050 0.00 1.00 -ATOM 701 CBJ TOP 1 1 15.350 5.672 13.400 0.00 1.00 -ATOM 702 CBK TOP 1 1 15.350 5.672 16.750 0.00 1.00 -ATOM 703 CBL TOP 1 1 14.122 7.799 10.050 0.00 1.00 -ATOM 704 CBM TOP 1 1 14.122 7.799 13.400 0.00 1.00 -ATOM 705 CBN TOP 1 1 14.122 7.799 16.750 0.00 1.00 -ATOM 706 CBO TOP 1 1 12.894 9.926 10.050 0.00 1.00 -ATOM 707 CBP TOP 1 1 12.894 9.926 13.400 0.00 1.00 -ATOM 708 CBQ TOP 1 1 12.894 9.926 16.750 0.00 1.00 -ATOM 709 CBR TOP 1 1 11.666 12.053 10.050 0.00 1.00 -ATOM 710 CBS TOP 1 1 11.666 12.053 13.400 0.00 1.00 -ATOM 711 CBT TOP 1 1 11.666 12.053 16.750 0.00 1.00 -ATOM 712 CBU TOP 1 1 10.438 14.180 10.050 0.00 1.00 -ATOM 713 CBV TOP 1 1 10.438 14.180 13.400 0.00 1.00 -ATOM 714 CBW TOP 1 1 10.438 14.180 16.750 0.00 1.00 -ATOM 715 CBX TOP 1 1 28.858 16.306 10.050 0.00 1.00 -ATOM 716 CBY TOP 1 1 28.858 16.306 13.400 0.00 1.00 -ATOM 717 CBZ TOP 1 1 28.858 16.306 16.750 0.00 1.00 -ATOM 718 CBa TOP 1 1 27.630 18.433 10.050 0.00 1.00 -ATOM 719 CBb TOP 1 1 27.630 18.433 13.400 0.00 1.00 -ATOM 720 CBc TOP 1 1 27.630 18.433 16.750 0.00 1.00 -ATOM 721 CBd TOP 1 1 26.402 20.560 10.050 0.00 1.00 -ATOM 722 CBe TOP 1 1 26.402 20.560 13.400 0.00 1.00 -ATOM 723 CBf TOP 1 1 26.402 20.560 16.750 0.00 1.00 -ATOM 724 CBg TOP 1 1 25.174 22.687 10.050 0.00 1.00 -ATOM 725 CBh TOP 1 1 25.174 22.687 13.400 0.00 1.00 -ATOM 726 CBi TOP 1 1 25.174 22.687 16.750 0.00 1.00 -ATOM 727 CBj TOP 1 1 23.946 24.814 10.050 0.00 1.00 -ATOM 728 CBk TOP 1 1 23.946 24.814 13.400 0.00 1.00 -ATOM 729 CBl TOP 1 1 23.946 24.814 16.750 0.00 1.00 -ATOM 730 CBm TOP 1 1 22.718 26.941 10.050 0.00 1.00 -ATOM 731 CBn TOP 1 1 22.718 26.941 13.400 0.00 1.00 -ATOM 732 CBo TOP 1 1 22.718 26.941 16.750 0.00 1.00 -ATOM 733 CBp TOP 1 1 21.490 29.068 10.050 0.00 1.00 -ATOM 734 CBq TOP 1 1 21.490 29.068 13.400 0.00 1.00 -ATOM 735 CBr TOP 1 1 21.490 29.068 16.750 0.00 1.00 -ATOM 736 CBs TOP 1 1 20.262 1.418 10.050 0.00 1.00 -ATOM 737 CBt TOP 1 1 20.262 1.418 13.400 0.00 1.00 -ATOM 738 CBu TOP 1 1 20.262 1.418 16.750 0.00 1.00 -ATOM 739 CBv TOP 1 1 19.034 3.545 10.050 0.00 1.00 -ATOM 740 CBw TOP 1 1 19.034 3.545 13.400 0.00 1.00 -ATOM 741 CBx TOP 1 1 19.034 3.545 16.750 0.00 1.00 -ATOM 742 CBy TOP 1 1 17.806 5.672 10.050 0.00 1.00 -ATOM 743 CBz TOP 1 1 17.806 5.672 13.400 0.00 1.00 -ATOM 744 CC0 TOP 1 1 17.806 5.672 16.750 0.00 1.00 -ATOM 745 CC1 TOP 1 1 16.578 7.799 10.050 0.00 1.00 -ATOM 746 CC2 TOP 1 1 16.578 7.799 13.400 0.00 1.00 -ATOM 747 CC3 TOP 1 1 16.578 7.799 16.750 0.00 1.00 -ATOM 748 CC4 TOP 1 1 15.350 9.926 10.050 0.00 1.00 -ATOM 749 CC5 TOP 1 1 15.350 9.926 13.400 0.00 1.00 -ATOM 750 CC6 TOP 1 1 15.350 9.926 16.750 0.00 1.00 -ATOM 751 CC7 TOP 1 1 14.122 12.053 10.050 0.00 1.00 -ATOM 752 CC8 TOP 1 1 14.122 12.053 13.400 0.00 1.00 -ATOM 753 CC9 TOP 1 1 14.122 12.053 16.750 0.00 1.00 -ATOM 754 CCA TOP 1 1 12.894 14.180 10.050 0.00 1.00 -ATOM 755 CCB TOP 1 1 12.894 14.180 13.400 0.00 1.00 -ATOM 756 CCC TOP 1 1 12.894 14.180 16.750 0.00 1.00 -ATOM 757 CCD TOP 1 1 1.842 16.306 10.050 0.00 1.00 -ATOM 758 CCE TOP 1 1 1.842 16.306 13.400 0.00 1.00 -ATOM 759 CCF TOP 1 1 1.842 16.306 16.750 0.00 1.00 -ATOM 760 CCG TOP 1 1 0.614 18.433 10.050 0.00 1.00 -ATOM 761 CCH TOP 1 1 0.614 18.433 13.400 0.00 1.00 -ATOM 762 CCI TOP 1 1 0.614 18.433 16.750 0.00 1.00 -ATOM 763 CCJ TOP 1 1 28.858 20.560 10.050 0.00 1.00 -ATOM 764 CCK TOP 1 1 28.858 20.560 13.400 0.00 1.00 -ATOM 765 CCL TOP 1 1 28.858 20.560 16.750 0.00 1.00 -ATOM 766 CCM TOP 1 1 27.630 22.687 10.050 0.00 1.00 -ATOM 767 CCN TOP 1 1 27.630 22.687 13.400 0.00 1.00 -ATOM 768 CCO TOP 1 1 27.630 22.687 16.750 0.00 1.00 -ATOM 769 CCP TOP 1 1 26.402 24.814 10.050 0.00 1.00 -ATOM 770 CCQ TOP 1 1 26.402 24.814 13.400 0.00 1.00 -ATOM 771 CCR TOP 1 1 26.402 24.814 16.750 0.00 1.00 -ATOM 772 CCS TOP 1 1 25.174 26.941 10.050 0.00 1.00 -ATOM 773 CCT TOP 1 1 25.174 26.941 13.400 0.00 1.00 -ATOM 774 CCU TOP 1 1 25.174 26.941 16.750 0.00 1.00 -ATOM 775 CCV TOP 1 1 23.946 29.068 10.050 0.00 1.00 -ATOM 776 CCW TOP 1 1 23.946 29.068 13.400 0.00 1.00 -ATOM 777 CCX TOP 1 1 23.946 29.068 16.750 0.00 1.00 -ATOM 778 CCY TOP 1 1 22.718 1.418 10.050 0.00 1.00 -ATOM 779 CCZ TOP 1 1 22.718 1.418 13.400 0.00 1.00 -ATOM 780 CCa TOP 1 1 22.718 1.418 16.750 0.00 1.00 -ATOM 781 CCb TOP 1 1 21.490 3.545 10.050 0.00 1.00 -ATOM 782 CCc TOP 1 1 21.490 3.545 13.400 0.00 1.00 -ATOM 783 CCd TOP 1 1 21.490 3.545 16.750 0.00 1.00 -ATOM 784 CCe TOP 1 1 20.262 5.672 10.050 0.00 1.00 -ATOM 785 CCf TOP 1 1 20.262 5.672 13.400 0.00 1.00 -ATOM 786 CCg TOP 1 1 20.262 5.672 16.750 0.00 1.00 -ATOM 787 CCh TOP 1 1 19.034 7.799 10.050 0.00 1.00 -ATOM 788 CCi TOP 1 1 19.034 7.799 13.400 0.00 1.00 -ATOM 789 CCj TOP 1 1 19.034 7.799 16.750 0.00 1.00 -ATOM 790 CCk TOP 1 1 17.806 9.926 10.050 0.00 1.00 -ATOM 791 CCl TOP 1 1 17.806 9.926 13.400 0.00 1.00 -ATOM 792 CCm TOP 1 1 17.806 9.926 16.750 0.00 1.00 -ATOM 793 CCn TOP 1 1 16.578 12.053 10.050 0.00 1.00 -ATOM 794 CCo TOP 1 1 16.578 12.053 13.400 0.00 1.00 -ATOM 795 CCp TOP 1 1 16.578 12.053 16.750 0.00 1.00 -ATOM 796 CCq TOP 1 1 15.350 14.180 10.050 0.00 1.00 -ATOM 797 CCr TOP 1 1 15.350 14.180 13.400 0.00 1.00 -ATOM 798 CCs TOP 1 1 15.350 14.180 16.750 0.00 1.00 -ATOM 799 CCt TOP 1 1 4.298 16.306 10.050 0.00 1.00 -ATOM 800 CCu TOP 1 1 4.298 16.306 13.400 0.00 1.00 -ATOM 801 CCv TOP 1 1 4.298 16.306 16.750 0.00 1.00 -ATOM 802 CCw TOP 1 1 3.070 18.433 10.050 0.00 1.00 -ATOM 803 CCx TOP 1 1 3.070 18.433 13.400 0.00 1.00 -ATOM 804 CCy TOP 1 1 3.070 18.433 16.750 0.00 1.00 -ATOM 805 CCz TOP 1 1 1.842 20.560 10.050 0.00 1.00 -ATOM 806 CD0 TOP 1 1 1.842 20.560 13.400 0.00 1.00 -ATOM 807 CD1 TOP 1 1 1.842 20.560 16.750 0.00 1.00 -ATOM 808 CD2 TOP 1 1 0.614 22.687 10.050 0.00 1.00 -ATOM 809 CD3 TOP 1 1 0.614 22.687 13.400 0.00 1.00 -ATOM 810 CD4 TOP 1 1 0.614 22.687 16.750 0.00 1.00 -ATOM 811 CD5 TOP 1 1 28.858 24.814 10.050 0.00 1.00 -ATOM 812 CD6 TOP 1 1 28.858 24.814 13.400 0.00 1.00 -ATOM 813 CD7 TOP 1 1 28.858 24.814 16.750 0.00 1.00 -ATOM 814 CD8 TOP 1 1 27.630 26.941 10.050 0.00 1.00 -ATOM 815 CD9 TOP 1 1 27.630 26.941 13.400 0.00 1.00 -ATOM 816 CDA TOP 1 1 27.630 26.941 16.750 0.00 1.00 -ATOM 817 CDB TOP 1 1 26.402 29.068 10.050 0.00 1.00 -ATOM 818 CDC TOP 1 1 26.402 29.068 13.400 0.00 1.00 -ATOM 819 CDD TOP 1 1 26.402 29.068 16.750 0.00 1.00 -ATOM 820 CDE TOP 1 1 25.174 1.418 10.050 0.00 1.00 -ATOM 821 CDF TOP 1 1 25.174 1.418 13.400 0.00 1.00 -ATOM 822 CDG TOP 1 1 25.174 1.418 16.750 0.00 1.00 -ATOM 823 CDH TOP 1 1 23.946 3.545 10.050 0.00 1.00 -ATOM 824 CDI TOP 1 1 23.946 3.545 13.400 0.00 1.00 -ATOM 825 CDJ TOP 1 1 23.946 3.545 16.750 0.00 1.00 -ATOM 826 CDK TOP 1 1 22.718 5.672 10.050 0.00 1.00 -ATOM 827 CDL TOP 1 1 22.718 5.672 13.400 0.00 1.00 -ATOM 828 CDM TOP 1 1 22.718 5.672 16.750 0.00 1.00 -ATOM 829 CDN TOP 1 1 21.490 7.799 10.050 0.00 1.00 -ATOM 830 CDO TOP 1 1 21.490 7.799 13.400 0.00 1.00 -ATOM 831 CDP TOP 1 1 21.490 7.799 16.750 0.00 1.00 -ATOM 832 CDQ TOP 1 1 20.262 9.926 10.050 0.00 1.00 -ATOM 833 CDR TOP 1 1 20.262 9.926 13.400 0.00 1.00 -ATOM 834 CDS TOP 1 1 20.262 9.926 16.750 0.00 1.00 -ATOM 835 CDT TOP 1 1 19.034 12.053 10.050 0.00 1.00 -ATOM 836 CDU TOP 1 1 19.034 12.053 13.400 0.00 1.00 -ATOM 837 CDV TOP 1 1 19.034 12.053 16.750 0.00 1.00 -ATOM 838 CDW TOP 1 1 17.806 14.180 10.050 0.00 1.00 -ATOM 839 CDX TOP 1 1 17.806 14.180 13.400 0.00 1.00 -ATOM 840 CDY TOP 1 1 17.806 14.180 16.750 0.00 1.00 -ATOM 841 CDZ TOP 1 1 6.754 16.306 10.050 0.00 1.00 -ATOM 842 CDa TOP 1 1 6.754 16.306 13.400 0.00 1.00 -ATOM 843 CDb TOP 1 1 6.754 16.306 16.750 0.00 1.00 -ATOM 844 CDc TOP 1 1 5.526 18.433 10.050 0.00 1.00 -ATOM 845 CDd TOP 1 1 5.526 18.433 13.400 0.00 1.00 -ATOM 846 CDe TOP 1 1 5.526 18.433 16.750 0.00 1.00 -ATOM 847 CDf TOP 1 1 4.298 20.560 10.050 0.00 1.00 -ATOM 848 CDg TOP 1 1 4.298 20.560 13.400 0.00 1.00 -ATOM 849 CDh TOP 1 1 4.298 20.560 16.750 0.00 1.00 -ATOM 850 CDi TOP 1 1 3.070 22.687 10.050 0.00 1.00 -ATOM 851 CDj TOP 1 1 3.070 22.687 13.400 0.00 1.00 -ATOM 852 CDk TOP 1 1 3.070 22.687 16.750 0.00 1.00 -ATOM 853 CDl TOP 1 1 1.842 24.814 10.050 0.00 1.00 -ATOM 854 CDm TOP 1 1 1.842 24.814 13.400 0.00 1.00 -ATOM 855 CDn TOP 1 1 1.842 24.814 16.750 0.00 1.00 -ATOM 856 CDo TOP 1 1 0.614 26.941 10.050 0.00 1.00 -ATOM 857 CDp TOP 1 1 0.614 26.941 13.400 0.00 1.00 -ATOM 858 CDq TOP 1 1 0.614 26.941 16.750 0.00 1.00 -ATOM 859 CDr TOP 1 1 28.858 29.068 10.050 0.00 1.00 -ATOM 860 CDs TOP 1 1 28.858 29.068 13.400 0.00 1.00 -ATOM 861 CDt TOP 1 1 28.858 29.068 16.750 0.00 1.00 -ATOM 862 CDu TOP 1 1 27.630 1.418 10.050 0.00 1.00 -ATOM 863 CDv TOP 1 1 27.630 1.418 13.400 0.00 1.00 -ATOM 864 CDw TOP 1 1 27.630 1.418 16.750 0.00 1.00 -ATOM 865 CDx TOP 1 1 26.402 3.545 10.050 0.00 1.00 -ATOM 866 CDy TOP 1 1 26.402 3.545 13.400 0.00 1.00 -ATOM 867 CDz TOP 1 1 26.402 3.545 16.750 0.00 1.00 -ATOM 868 CE0 TOP 1 1 25.174 5.672 10.050 0.00 1.00 -ATOM 869 CE1 TOP 1 1 25.174 5.672 13.400 0.00 1.00 -ATOM 870 CE2 TOP 1 1 25.174 5.672 16.750 0.00 1.00 -ATOM 871 CE3 TOP 1 1 23.946 7.799 10.050 0.00 1.00 -ATOM 872 CE4 TOP 1 1 23.946 7.799 13.400 0.00 1.00 -ATOM 873 CE5 TOP 1 1 23.946 7.799 16.750 0.00 1.00 -ATOM 874 CE6 TOP 1 1 22.718 9.926 10.050 0.00 1.00 -ATOM 875 CE7 TOP 1 1 22.718 9.926 13.400 0.00 1.00 -ATOM 876 CE8 TOP 1 1 22.718 9.926 16.750 0.00 1.00 -ATOM 877 CE9 TOP 1 1 21.490 12.053 10.050 0.00 1.00 -ATOM 878 CEA TOP 1 1 21.490 12.053 13.400 0.00 1.00 -ATOM 879 CEB TOP 1 1 21.490 12.053 16.750 0.00 1.00 -ATOM 880 CEC TOP 1 1 20.262 14.180 10.050 0.00 1.00 -ATOM 881 CED TOP 1 1 20.262 14.180 13.400 0.00 1.00 -ATOM 882 CEE TOP 1 1 20.262 14.180 16.750 0.00 1.00 -ATOM 883 CEF TOP 1 1 9.210 16.306 10.050 0.00 1.00 -ATOM 884 CEG TOP 1 1 9.210 16.306 13.400 0.00 1.00 -ATOM 885 CEH TOP 1 1 9.210 16.306 16.750 0.00 1.00 -ATOM 886 CEI TOP 1 1 7.982 18.433 10.050 0.00 1.00 -ATOM 887 CEJ TOP 1 1 7.982 18.433 13.400 0.00 1.00 -ATOM 888 CEK TOP 1 1 7.982 18.433 16.750 0.00 1.00 -ATOM 889 CEL TOP 1 1 6.754 20.560 10.050 0.00 1.00 -ATOM 890 CEM TOP 1 1 6.754 20.560 13.400 0.00 1.00 -ATOM 891 CEN TOP 1 1 6.754 20.560 16.750 0.00 1.00 -ATOM 892 CEO TOP 1 1 5.526 22.687 10.050 0.00 1.00 -ATOM 893 CEP TOP 1 1 5.526 22.687 13.400 0.00 1.00 -ATOM 894 CEQ TOP 1 1 5.526 22.687 16.750 0.00 1.00 -ATOM 895 CER TOP 1 1 4.298 24.814 10.050 0.00 1.00 -ATOM 896 CES TOP 1 1 4.298 24.814 13.400 0.00 1.00 -ATOM 897 CET TOP 1 1 4.298 24.814 16.750 0.00 1.00 -ATOM 898 CEU TOP 1 1 3.070 26.941 10.050 0.00 1.00 -ATOM 899 CEV TOP 1 1 3.070 26.941 13.400 0.00 1.00 -ATOM 900 CEW TOP 1 1 3.070 26.941 16.750 0.00 1.00 -ATOM 901 CEX TOP 1 1 1.842 29.068 10.050 0.00 1.00 -ATOM 902 CEY TOP 1 1 1.842 29.068 13.400 0.00 1.00 -ATOM 903 CEZ TOP 1 1 1.842 29.068 16.750 0.00 1.00 -ATOM 904 CEa TOP 1 1 0.614 1.418 10.050 0.00 1.00 -ATOM 905 CEb TOP 1 1 0.614 1.418 13.400 0.00 1.00 -ATOM 906 CEc TOP 1 1 0.614 1.418 16.750 0.00 1.00 -ATOM 907 CEd TOP 1 1 28.858 3.545 10.050 0.00 1.00 -ATOM 908 CEe TOP 1 1 28.858 3.545 13.400 0.00 1.00 -ATOM 909 CEf TOP 1 1 28.858 3.545 16.750 0.00 1.00 -ATOM 910 CEg TOP 1 1 27.630 5.672 10.050 0.00 1.00 -ATOM 911 CEh TOP 1 1 27.630 5.672 13.400 0.00 1.00 -ATOM 912 CEi TOP 1 1 27.630 5.672 16.750 0.00 1.00 -ATOM 913 CEj TOP 1 1 26.402 7.799 10.050 0.00 1.00 -ATOM 914 CEk TOP 1 1 26.402 7.799 13.400 0.00 1.00 -ATOM 915 CEl TOP 1 1 26.402 7.799 16.750 0.00 1.00 -ATOM 916 CEm TOP 1 1 25.174 9.926 10.050 0.00 1.00 -ATOM 917 CEn TOP 1 1 25.174 9.926 13.400 0.00 1.00 -ATOM 918 CEo TOP 1 1 25.174 9.926 16.750 0.00 1.00 -ATOM 919 CEp TOP 1 1 23.946 12.053 10.050 0.00 1.00 -ATOM 920 CEq TOP 1 1 23.946 12.053 13.400 0.00 1.00 -ATOM 921 CEr TOP 1 1 23.946 12.053 16.750 0.00 1.00 -ATOM 922 CEs TOP 1 1 22.718 14.180 10.050 0.00 1.00 -ATOM 923 CEt TOP 1 1 22.718 14.180 13.400 0.00 1.00 -ATOM 924 CEu TOP 1 1 22.718 14.180 16.750 0.00 1.00 -ATOM 925 CEv TOP 1 1 11.666 16.306 10.050 0.00 1.00 -ATOM 926 CEw TOP 1 1 11.666 16.306 13.400 0.00 1.00 -ATOM 927 CEx TOP 1 1 11.666 16.306 16.750 0.00 1.00 -ATOM 928 CEy TOP 1 1 10.438 18.433 10.050 0.00 1.00 -ATOM 929 CEz TOP 1 1 10.438 18.433 13.400 0.00 1.00 -ATOM 930 CF0 TOP 1 1 10.438 18.433 16.750 0.00 1.00 -ATOM 931 CF1 TOP 1 1 9.210 20.560 10.050 0.00 1.00 -ATOM 932 CF2 TOP 1 1 9.210 20.560 13.400 0.00 1.00 -ATOM 933 CF3 TOP 1 1 9.210 20.560 16.750 0.00 1.00 -ATOM 934 CF4 TOP 1 1 7.982 22.687 10.050 0.00 1.00 -ATOM 935 CF5 TOP 1 1 7.982 22.687 13.400 0.00 1.00 -ATOM 936 CF6 TOP 1 1 7.982 22.687 16.750 0.00 1.00 -ATOM 937 CF7 TOP 1 1 6.754 24.814 10.050 0.00 1.00 -ATOM 938 CF8 TOP 1 1 6.754 24.814 13.400 0.00 1.00 -ATOM 939 CF9 TOP 1 1 6.754 24.814 16.750 0.00 1.00 -ATOM 940 CFA TOP 1 1 5.526 26.941 10.050 0.00 1.00 -ATOM 941 CFB TOP 1 1 5.526 26.941 13.400 0.00 1.00 -ATOM 942 CFC TOP 1 1 5.526 26.941 16.750 0.00 1.00 -ATOM 943 CFD TOP 1 1 4.298 29.068 10.050 0.00 1.00 -ATOM 944 CFE TOP 1 1 4.298 29.068 13.400 0.00 1.00 -ATOM 945 CFF TOP 1 1 4.298 29.068 16.750 0.00 1.00 -ATOM 946 CFG TOP 1 1 3.070 1.418 10.050 0.00 1.00 -ATOM 947 CFH TOP 1 1 3.070 1.418 13.400 0.00 1.00 -ATOM 948 CFI TOP 1 1 3.070 1.418 16.750 0.00 1.00 -ATOM 949 CFJ TOP 1 1 1.842 3.545 10.050 0.00 1.00 -ATOM 950 CFK TOP 1 1 1.842 3.545 13.400 0.00 1.00 -ATOM 951 CFL TOP 1 1 1.842 3.545 16.750 0.00 1.00 -ATOM 952 CFM TOP 1 1 0.614 5.672 10.050 0.00 1.00 -ATOM 953 CFN TOP 1 1 0.614 5.672 13.400 0.00 1.00 -ATOM 954 CFO TOP 1 1 0.614 5.672 16.750 0.00 1.00 -ATOM 955 CFP TOP 1 1 28.858 7.799 10.050 0.00 1.00 -ATOM 956 CFQ TOP 1 1 28.858 7.799 13.400 0.00 1.00 -ATOM 957 CFR TOP 1 1 28.858 7.799 16.750 0.00 1.00 -ATOM 958 CFS TOP 1 1 27.630 9.926 10.050 0.00 1.00 -ATOM 959 CFT TOP 1 1 27.630 9.926 13.400 0.00 1.00 -ATOM 960 CFU TOP 1 1 27.630 9.926 16.750 0.00 1.00 -ATOM 961 CFV TOP 1 1 26.402 12.053 10.050 0.00 1.00 -ATOM 962 CFW TOP 1 1 26.402 12.053 13.400 0.00 1.00 -ATOM 963 CFX TOP 1 1 26.402 12.053 16.750 0.00 1.00 -ATOM 964 CFY TOP 1 1 25.174 14.180 10.050 0.00 1.00 -ATOM 965 CFZ TOP 1 1 25.174 14.180 13.400 0.00 1.00 -ATOM 966 CFa TOP 1 1 25.174 14.180 16.750 0.00 1.00 -ATOM 967 CFb TOP 1 1 14.122 16.306 10.050 0.00 1.00 -ATOM 968 CFc TOP 1 1 14.122 16.306 13.400 0.00 1.00 -ATOM 969 CFd TOP 1 1 14.122 16.306 16.750 0.00 1.00 -ATOM 970 CFe TOP 1 1 12.894 18.433 10.050 0.00 1.00 -ATOM 971 CFf TOP 1 1 12.894 18.433 13.400 0.00 1.00 -ATOM 972 CFg TOP 1 1 12.894 18.433 16.750 0.00 1.00 -ATOM 973 CFh TOP 1 1 11.666 20.560 10.050 0.00 1.00 -ATOM 974 CFi TOP 1 1 11.666 20.560 13.400 0.00 1.00 -ATOM 975 CFj TOP 1 1 11.666 20.560 16.750 0.00 1.00 -ATOM 976 CFk TOP 1 1 10.438 22.687 10.050 0.00 1.00 -ATOM 977 CFl TOP 1 1 10.438 22.687 13.400 0.00 1.00 -ATOM 978 CFm TOP 1 1 10.438 22.687 16.750 0.00 1.00 -ATOM 979 CFn TOP 1 1 9.210 24.814 10.050 0.00 1.00 -ATOM 980 CFo TOP 1 1 9.210 24.814 13.400 0.00 1.00 -ATOM 981 CFp TOP 1 1 9.210 24.814 16.750 0.00 1.00 -ATOM 982 CFq TOP 1 1 7.982 26.941 10.050 0.00 1.00 -ATOM 983 CFr TOP 1 1 7.982 26.941 13.400 0.00 1.00 -ATOM 984 CFs TOP 1 1 7.982 26.941 16.750 0.00 1.00 -ATOM 985 CFt TOP 1 1 6.754 29.068 10.050 0.00 1.00 -ATOM 986 CFu TOP 1 1 6.754 29.068 13.400 0.00 1.00 -ATOM 987 CFv TOP 1 1 6.754 29.068 16.750 0.00 1.00 -ATOM 988 CFw TOP 1 1 5.526 1.418 10.050 0.00 1.00 -ATOM 989 CFx TOP 1 1 5.526 1.418 13.400 0.00 1.00 -ATOM 990 CFy TOP 1 1 5.526 1.418 16.750 0.00 1.00 -ATOM 991 CFz TOP 1 1 4.298 3.545 10.050 0.00 1.00 -ATOM 992 CG0 TOP 1 1 4.298 3.545 13.400 0.00 1.00 -ATOM 993 CG1 TOP 1 1 4.298 3.545 16.750 0.00 1.00 -ATOM 994 CG2 TOP 1 1 3.070 5.672 10.050 0.00 1.00 -ATOM 995 CG3 TOP 1 1 3.070 5.672 13.400 0.00 1.00 -ATOM 996 CG4 TOP 1 1 3.070 5.672 16.750 0.00 1.00 -ATOM 997 CG5 TOP 1 1 1.842 7.799 10.050 0.00 1.00 -ATOM 998 CG6 TOP 1 1 1.842 7.799 13.400 0.00 1.00 -ATOM 999 CG7 TOP 1 1 1.842 7.799 16.750 0.00 1.00 -ATOM 1000 CG8 TOP 1 1 0.614 9.926 10.050 0.00 1.00 -ATOM 1001 CG9 TOP 1 1 0.614 9.926 13.400 0.00 1.00 -ATOM 1002 CGA TOP 1 1 0.614 9.926 16.750 0.00 1.00 -ATOM 1003 CGB TOP 1 1 28.858 12.053 10.050 0.00 1.00 -ATOM 1004 CGC TOP 1 1 28.858 12.053 13.400 0.00 1.00 -ATOM 1005 CGD TOP 1 1 28.858 12.053 16.750 0.00 1.00 -ATOM 1006 CGE TOP 1 1 27.630 14.180 10.050 0.00 1.00 -ATOM 1007 CGF TOP 1 1 27.630 14.180 13.400 0.00 1.00 -ATOM 1008 CGG TOP 1 1 27.630 14.180 16.750 0.00 1.00 -ATOM 1009 C1 BOT 1 2 15.350 15.597 0.000 0.00 1.00 -ATOM 1010 C2 BOT 1 2 15.350 15.597 3.350 0.00 1.00 -ATOM 1011 C3 BOT 1 2 15.350 15.597 6.700 0.00 1.00 -ATOM 1012 C4 BOT 1 2 14.122 17.724 0.000 0.00 1.00 -ATOM 1013 C5 BOT 1 2 14.122 17.724 3.350 0.00 1.00 -ATOM 1014 C6 BOT 1 2 14.122 17.724 6.700 0.00 1.00 -ATOM 1015 C7 BOT 1 2 12.894 19.851 0.000 0.00 1.00 -ATOM 1016 C8 BOT 1 2 12.894 19.851 3.350 0.00 1.00 -ATOM 1017 C9 BOT 1 2 12.894 19.851 6.700 0.00 1.00 -ATOM 1018 CA BOT 1 2 11.666 21.978 0.000 0.00 1.00 -ATOM 1019 CB BOT 1 2 11.666 21.978 3.350 0.00 1.00 -ATOM 1020 CC BOT 1 2 11.666 21.978 6.700 0.00 1.00 -ATOM 1021 CD BOT 1 2 10.438 24.105 0.000 0.00 1.00 -ATOM 1022 CE BOT 1 2 10.438 24.105 3.350 0.00 1.00 -ATOM 1023 CF BOT 1 2 10.438 24.105 6.700 0.00 1.00 -ATOM 1024 CG BOT 1 2 9.210 26.232 0.000 0.00 1.00 -ATOM 1025 CH BOT 1 2 9.210 26.232 3.350 0.00 1.00 -ATOM 1026 CI BOT 1 2 9.210 26.232 6.700 0.00 1.00 -ATOM 1027 CJ BOT 1 2 7.982 28.359 0.000 0.00 1.00 -ATOM 1028 CK BOT 1 2 7.982 28.359 3.350 0.00 1.00 -ATOM 1029 CL BOT 1 2 7.982 28.359 6.700 0.00 1.00 -ATOM 1030 CM BOT 1 2 6.754 0.709 0.000 0.00 1.00 -ATOM 1031 CN BOT 1 2 6.754 0.709 3.350 0.00 1.00 -ATOM 1032 CO BOT 1 2 6.754 0.709 6.700 0.00 1.00 -ATOM 1033 CP BOT 1 2 5.526 2.836 0.000 0.00 1.00 -ATOM 1034 CQ BOT 1 2 5.526 2.836 3.350 0.00 1.00 -ATOM 1035 CR BOT 1 2 5.526 2.836 6.700 0.00 1.00 -ATOM 1036 CS BOT 1 2 4.298 4.963 0.000 0.00 1.00 -ATOM 1037 CT BOT 1 2 4.298 4.963 3.350 0.00 1.00 -ATOM 1038 CU BOT 1 2 4.298 4.963 6.700 0.00 1.00 -ATOM 1039 CV BOT 1 2 3.070 7.090 0.000 0.00 1.00 -ATOM 1040 CW BOT 1 2 3.070 7.090 3.350 0.00 1.00 -ATOM 1041 CX BOT 1 2 3.070 7.090 6.700 0.00 1.00 -ATOM 1042 CY BOT 1 2 1.842 9.217 0.000 0.00 1.00 -ATOM 1043 CZ BOT 1 2 1.842 9.217 3.350 0.00 1.00 -ATOM 1044 Ca BOT 1 2 1.842 9.217 6.700 0.00 1.00 -ATOM 1045 Cb BOT 1 2 0.614 11.344 0.000 0.00 1.00 -ATOM 1046 Cc BOT 1 2 0.614 11.344 3.350 0.00 1.00 -ATOM 1047 Cd BOT 1 2 0.614 11.344 6.700 0.00 1.00 -ATOM 1048 Ce BOT 1 2 28.858 13.471 0.000 0.00 1.00 -ATOM 1049 Cf BOT 1 2 28.858 13.471 3.350 0.00 1.00 -ATOM 1050 Cg BOT 1 2 28.858 13.471 6.700 0.00 1.00 -ATOM 1051 Ch BOT 1 2 17.806 15.597 0.000 0.00 1.00 -ATOM 1052 Ci BOT 1 2 17.806 15.597 3.350 0.00 1.00 -ATOM 1053 Cj BOT 1 2 17.806 15.597 6.700 0.00 1.00 -ATOM 1054 Ck BOT 1 2 16.578 17.724 0.000 0.00 1.00 -ATOM 1055 Cl BOT 1 2 16.578 17.724 3.350 0.00 1.00 -ATOM 1056 Cm BOT 1 2 16.578 17.724 6.700 0.00 1.00 -ATOM 1057 Cn BOT 1 2 15.350 19.851 0.000 0.00 1.00 -ATOM 1058 Co BOT 1 2 15.350 19.851 3.350 0.00 1.00 -ATOM 1059 Cp BOT 1 2 15.350 19.851 6.700 0.00 1.00 -ATOM 1060 Cq BOT 1 2 14.122 21.978 0.000 0.00 1.00 -ATOM 1061 Cr BOT 1 2 14.122 21.978 3.350 0.00 1.00 -ATOM 1062 Cs BOT 1 2 14.122 21.978 6.700 0.00 1.00 -ATOM 1063 Ct BOT 1 2 12.894 24.105 0.000 0.00 1.00 -ATOM 1064 Cu BOT 1 2 12.894 24.105 3.350 0.00 1.00 -ATOM 1065 Cv BOT 1 2 12.894 24.105 6.700 0.00 1.00 -ATOM 1066 Cw BOT 1 2 11.666 26.232 0.000 0.00 1.00 -ATOM 1067 Cx BOT 1 2 11.666 26.232 3.350 0.00 1.00 -ATOM 1068 Cy BOT 1 2 11.666 26.232 6.700 0.00 1.00 -ATOM 1069 Cz BOT 1 2 10.438 28.359 0.000 0.00 1.00 -ATOM 1070 C10 BOT 1 2 10.438 28.359 3.350 0.00 1.00 -ATOM 1071 C11 BOT 1 2 10.438 28.359 6.700 0.00 1.00 -ATOM 1072 C12 BOT 1 2 9.210 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BOT 1 2 17.806 2.836 3.350 0.00 1.00 -ATOM 1245 C3p BOT 1 2 17.806 2.836 6.700 0.00 1.00 -ATOM 1246 C3q BOT 1 2 16.578 4.963 0.000 0.00 1.00 -ATOM 1247 C3r BOT 1 2 16.578 4.963 3.350 0.00 1.00 -ATOM 1248 C3s BOT 1 2 16.578 4.963 6.700 0.00 1.00 -ATOM 1249 C3t BOT 1 2 15.350 7.090 0.000 0.00 1.00 -ATOM 1250 C3u BOT 1 2 15.350 7.090 3.350 0.00 1.00 -ATOM 1251 C3v BOT 1 2 15.350 7.090 6.700 0.00 1.00 -ATOM 1252 C3w BOT 1 2 14.122 9.217 0.000 0.00 1.00 -ATOM 1253 C3x BOT 1 2 14.122 9.217 3.350 0.00 1.00 -ATOM 1254 C3y BOT 1 2 14.122 9.217 6.700 0.00 1.00 -ATOM 1255 C3z BOT 1 2 12.894 11.344 0.000 0.00 1.00 -ATOM 1256 C40 BOT 1 2 12.894 11.344 3.350 0.00 1.00 -ATOM 1257 C41 BOT 1 2 12.894 11.344 6.700 0.00 1.00 -ATOM 1258 C42 BOT 1 2 11.666 13.471 0.000 0.00 1.00 -ATOM 1259 C43 BOT 1 2 11.666 13.471 3.350 0.00 1.00 -ATOM 1260 C44 BOT 1 2 11.666 13.471 6.700 0.00 1.00 -ATOM 1261 C45 BOT 1 2 0.614 15.597 0.000 0.00 1.00 -ATOM 1262 C46 BOT 1 2 0.614 15.597 3.350 0.00 1.00 -ATOM 1263 C47 BOT 1 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-ATOM 1512 C88 BOT 1 2 26.402 13.471 6.700 0.00 1.00 -ATOM 1513 C89 BOT 1 2 16.578 16.306 0.000 0.00 1.00 -ATOM 1514 C8A BOT 1 2 16.578 16.306 3.350 0.00 1.00 -ATOM 1515 C8B BOT 1 2 16.578 16.306 6.700 0.00 1.00 -ATOM 1516 C8C BOT 1 2 15.350 18.433 0.000 0.00 1.00 -ATOM 1517 C8D BOT 1 2 15.350 18.433 3.350 0.00 1.00 -ATOM 1518 C8E BOT 1 2 15.350 18.433 6.700 0.00 1.00 -ATOM 1519 C8F BOT 1 2 14.122 20.560 0.000 0.00 1.00 -ATOM 1520 C8G BOT 1 2 14.122 20.560 3.350 0.00 1.00 -ATOM 1521 C8H BOT 1 2 14.122 20.560 6.700 0.00 1.00 -ATOM 1522 C8I BOT 1 2 12.894 22.687 0.000 0.00 1.00 -ATOM 1523 C8J BOT 1 2 12.894 22.687 3.350 0.00 1.00 -ATOM 1524 C8K BOT 1 2 12.894 22.687 6.700 0.00 1.00 -ATOM 1525 C8L BOT 1 2 11.666 24.814 0.000 0.00 1.00 -ATOM 1526 C8M BOT 1 2 11.666 24.814 3.350 0.00 1.00 -ATOM 1527 C8N BOT 1 2 11.666 24.814 6.700 0.00 1.00 -ATOM 1528 C8O BOT 1 2 10.438 26.941 0.000 0.00 1.00 -ATOM 1529 C8P BOT 1 2 10.438 26.941 3.350 0.00 1.00 -ATOM 1530 C8Q BOT 1 2 10.438 26.941 6.700 0.00 1.00 -ATOM 1531 C8R BOT 1 2 9.210 29.068 0.000 0.00 1.00 -ATOM 1532 C8S BOT 1 2 9.210 29.068 3.350 0.00 1.00 -ATOM 1533 C8T BOT 1 2 9.210 29.068 6.700 0.00 1.00 -ATOM 1534 C8U BOT 1 2 7.982 1.418 0.000 0.00 1.00 -ATOM 1535 C8V BOT 1 2 7.982 1.418 3.350 0.00 1.00 -ATOM 1536 C8W BOT 1 2 7.982 1.418 6.700 0.00 1.00 -ATOM 1537 C8X BOT 1 2 6.754 3.545 0.000 0.00 1.00 -ATOM 1538 C8Y BOT 1 2 6.754 3.545 3.350 0.00 1.00 -ATOM 1539 C8Z BOT 1 2 6.754 3.545 6.700 0.00 1.00 -ATOM 1540 C8a BOT 1 2 5.526 5.672 0.000 0.00 1.00 -ATOM 1541 C8b BOT 1 2 5.526 5.672 3.350 0.00 1.00 -ATOM 1542 C8c BOT 1 2 5.526 5.672 6.700 0.00 1.00 -ATOM 1543 C8d BOT 1 2 4.298 7.799 0.000 0.00 1.00 -ATOM 1544 C8e BOT 1 2 4.298 7.799 3.350 0.00 1.00 -ATOM 1545 C8f BOT 1 2 4.298 7.799 6.700 0.00 1.00 -ATOM 1546 C8g BOT 1 2 3.070 9.926 0.000 0.00 1.00 -ATOM 1547 C8h BOT 1 2 3.070 9.926 3.350 0.00 1.00 -ATOM 1548 C8i BOT 1 2 3.070 9.926 6.700 0.00 1.00 -ATOM 1549 C8j BOT 1 2 1.842 12.053 0.000 0.00 1.00 -ATOM 1550 C8k BOT 1 2 1.842 12.053 3.350 0.00 1.00 -ATOM 1551 C8l BOT 1 2 1.842 12.053 6.700 0.00 1.00 -ATOM 1552 C8m BOT 1 2 0.614 14.180 0.000 0.00 1.00 -ATOM 1553 C8n BOT 1 2 0.614 14.180 3.350 0.00 1.00 -ATOM 1554 C8o BOT 1 2 0.614 14.180 6.700 0.00 1.00 -ATOM 1555 C8p BOT 1 2 19.034 16.306 0.000 0.00 1.00 -ATOM 1556 C8q BOT 1 2 19.034 16.306 3.350 0.00 1.00 -ATOM 1557 C8r BOT 1 2 19.034 16.306 6.700 0.00 1.00 -ATOM 1558 C8s BOT 1 2 17.806 18.433 0.000 0.00 1.00 -ATOM 1559 C8t BOT 1 2 17.806 18.433 3.350 0.00 1.00 -ATOM 1560 C8u BOT 1 2 17.806 18.433 6.700 0.00 1.00 -ATOM 1561 C8v BOT 1 2 16.578 20.560 0.000 0.00 1.00 -ATOM 1562 C8w BOT 1 2 16.578 20.560 3.350 0.00 1.00 -ATOM 1563 C8x BOT 1 2 16.578 20.560 6.700 0.00 1.00 -ATOM 1564 C8y BOT 1 2 15.350 22.687 0.000 0.00 1.00 -ATOM 1565 C8z BOT 1 2 15.350 22.687 3.350 0.00 1.00 -ATOM 1566 C90 BOT 1 2 15.350 22.687 6.700 0.00 1.00 -ATOM 1567 C91 BOT 1 2 14.122 24.814 0.000 0.00 1.00 -ATOM 1568 C92 BOT 1 2 14.122 24.814 3.350 0.00 1.00 -ATOM 1569 C93 BOT 1 2 14.122 24.814 6.700 0.00 1.00 -ATOM 1570 C94 BOT 1 2 12.894 26.941 0.000 0.00 1.00 -ATOM 1571 C95 BOT 1 2 12.894 26.941 3.350 0.00 1.00 -ATOM 1572 C96 BOT 1 2 12.894 26.941 6.700 0.00 1.00 -ATOM 1573 C97 BOT 1 2 11.666 29.068 0.000 0.00 1.00 -ATOM 1574 C98 BOT 1 2 11.666 29.068 3.350 0.00 1.00 -ATOM 1575 C99 BOT 1 2 11.666 29.068 6.700 0.00 1.00 -ATOM 1576 C9A BOT 1 2 10.438 1.418 0.000 0.00 1.00 -ATOM 1577 C9B BOT 1 2 10.438 1.418 3.350 0.00 1.00 -ATOM 1578 C9C BOT 1 2 10.438 1.418 6.700 0.00 1.00 -ATOM 1579 C9D BOT 1 2 9.210 3.545 0.000 0.00 1.00 -ATOM 1580 C9E BOT 1 2 9.210 3.545 3.350 0.00 1.00 -ATOM 1581 C9F BOT 1 2 9.210 3.545 6.700 0.00 1.00 -ATOM 1582 C9G BOT 1 2 7.982 5.672 0.000 0.00 1.00 -ATOM 1583 C9H BOT 1 2 7.982 5.672 3.350 0.00 1.00 -ATOM 1584 C9I BOT 1 2 7.982 5.672 6.700 0.00 1.00 -ATOM 1585 C9J BOT 1 2 6.754 7.799 0.000 0.00 1.00 -ATOM 1586 C9K BOT 1 2 6.754 7.799 3.350 0.00 1.00 -ATOM 1587 C9L BOT 1 2 6.754 7.799 6.700 0.00 1.00 -ATOM 1588 C9M BOT 1 2 5.526 9.926 0.000 0.00 1.00 -ATOM 1589 C9N BOT 1 2 5.526 9.926 3.350 0.00 1.00 -ATOM 1590 C9O BOT 1 2 5.526 9.926 6.700 0.00 1.00 -ATOM 1591 C9P BOT 1 2 4.298 12.053 0.000 0.00 1.00 -ATOM 1592 C9Q BOT 1 2 4.298 12.053 3.350 0.00 1.00 -ATOM 1593 C9R BOT 1 2 4.298 12.053 6.700 0.00 1.00 -ATOM 1594 C9S BOT 1 2 3.070 14.180 0.000 0.00 1.00 -ATOM 1595 C9T BOT 1 2 3.070 14.180 3.350 0.00 1.00 -ATOM 1596 C9U BOT 1 2 3.070 14.180 6.700 0.00 1.00 -ATOM 1597 C9V BOT 1 2 21.490 16.306 0.000 0.00 1.00 -ATOM 1598 C9W BOT 1 2 21.490 16.306 3.350 0.00 1.00 -ATOM 1599 C9X BOT 1 2 21.490 16.306 6.700 0.00 1.00 -ATOM 1600 C9Y BOT 1 2 20.262 18.433 0.000 0.00 1.00 -ATOM 1601 C9Z BOT 1 2 20.262 18.433 3.350 0.00 1.00 -ATOM 1602 C9a BOT 1 2 20.262 18.433 6.700 0.00 1.00 -ATOM 1603 C9b BOT 1 2 19.034 20.560 0.000 0.00 1.00 -ATOM 1604 C9c BOT 1 2 19.034 20.560 3.350 0.00 1.00 -ATOM 1605 C9d BOT 1 2 19.034 20.560 6.700 0.00 1.00 -ATOM 1606 C9e BOT 1 2 17.806 22.687 0.000 0.00 1.00 -ATOM 1607 C9f BOT 1 2 17.806 22.687 3.350 0.00 1.00 -ATOM 1608 C9g BOT 1 2 17.806 22.687 6.700 0.00 1.00 -ATOM 1609 C9h BOT 1 2 16.578 24.814 0.000 0.00 1.00 -ATOM 1610 C9i BOT 1 2 16.578 24.814 3.350 0.00 1.00 -ATOM 1611 C9j BOT 1 2 16.578 24.814 6.700 0.00 1.00 -ATOM 1612 C9k BOT 1 2 15.350 26.941 0.000 0.00 1.00 -ATOM 1613 C9l BOT 1 2 15.350 26.941 3.350 0.00 1.00 -ATOM 1614 C9m BOT 1 2 15.350 26.941 6.700 0.00 1.00 -ATOM 1615 C9n BOT 1 2 14.122 29.068 0.000 0.00 1.00 -ATOM 1616 C9o BOT 1 2 14.122 29.068 3.350 0.00 1.00 -ATOM 1617 C9p BOT 1 2 14.122 29.068 6.700 0.00 1.00 -ATOM 1618 C9q BOT 1 2 12.894 1.418 0.000 0.00 1.00 -ATOM 1619 C9r BOT 1 2 12.894 1.418 3.350 0.00 1.00 -ATOM 1620 C9s BOT 1 2 12.894 1.418 6.700 0.00 1.00 -ATOM 1621 C9t BOT 1 2 11.666 3.545 0.000 0.00 1.00 -ATOM 1622 C9u BOT 1 2 11.666 3.545 3.350 0.00 1.00 -ATOM 1623 C9v BOT 1 2 11.666 3.545 6.700 0.00 1.00 -ATOM 1624 C9w BOT 1 2 10.438 5.672 0.000 0.00 1.00 -ATOM 1625 C9x BOT 1 2 10.438 5.672 3.350 0.00 1.00 -ATOM 1626 C9y BOT 1 2 10.438 5.672 6.700 0.00 1.00 -ATOM 1627 C9z BOT 1 2 9.210 7.799 0.000 0.00 1.00 -ATOM 1628 CA0 BOT 1 2 9.210 7.799 3.350 0.00 1.00 -ATOM 1629 CA1 BOT 1 2 9.210 7.799 6.700 0.00 1.00 -ATOM 1630 CA2 BOT 1 2 7.982 9.926 0.000 0.00 1.00 -ATOM 1631 CA3 BOT 1 2 7.982 9.926 3.350 0.00 1.00 -ATOM 1632 CA4 BOT 1 2 7.982 9.926 6.700 0.00 1.00 -ATOM 1633 CA5 BOT 1 2 6.754 12.053 0.000 0.00 1.00 -ATOM 1634 CA6 BOT 1 2 6.754 12.053 3.350 0.00 1.00 -ATOM 1635 CA7 BOT 1 2 6.754 12.053 6.700 0.00 1.00 -ATOM 1636 CA8 BOT 1 2 5.526 14.180 0.000 0.00 1.00 -ATOM 1637 CA9 BOT 1 2 5.526 14.180 3.350 0.00 1.00 -ATOM 1638 CAA BOT 1 2 5.526 14.180 6.700 0.00 1.00 -ATOM 1639 CAB BOT 1 2 23.946 16.306 0.000 0.00 1.00 -ATOM 1640 CAC BOT 1 2 23.946 16.306 3.350 0.00 1.00 -ATOM 1641 CAD BOT 1 2 23.946 16.306 6.700 0.00 1.00 -ATOM 1642 CAE BOT 1 2 22.718 18.433 0.000 0.00 1.00 -ATOM 1643 CAF BOT 1 2 22.718 18.433 3.350 0.00 1.00 -ATOM 1644 CAG BOT 1 2 22.718 18.433 6.700 0.00 1.00 -ATOM 1645 CAH BOT 1 2 21.490 20.560 0.000 0.00 1.00 -ATOM 1646 CAI BOT 1 2 21.490 20.560 3.350 0.00 1.00 -ATOM 1647 CAJ BOT 1 2 21.490 20.560 6.700 0.00 1.00 -ATOM 1648 CAK BOT 1 2 20.262 22.687 0.000 0.00 1.00 -ATOM 1649 CAL BOT 1 2 20.262 22.687 3.350 0.00 1.00 -ATOM 1650 CAM BOT 1 2 20.262 22.687 6.700 0.00 1.00 -ATOM 1651 CAN BOT 1 2 19.034 24.814 0.000 0.00 1.00 -ATOM 1652 CAO BOT 1 2 19.034 24.814 3.350 0.00 1.00 -ATOM 1653 CAP BOT 1 2 19.034 24.814 6.700 0.00 1.00 -ATOM 1654 CAQ BOT 1 2 17.806 26.941 0.000 0.00 1.00 -ATOM 1655 CAR BOT 1 2 17.806 26.941 3.350 0.00 1.00 -ATOM 1656 CAS BOT 1 2 17.806 26.941 6.700 0.00 1.00 -ATOM 1657 CAT BOT 1 2 16.578 29.068 0.000 0.00 1.00 -ATOM 1658 CAU BOT 1 2 16.578 29.068 3.350 0.00 1.00 -ATOM 1659 CAV BOT 1 2 16.578 29.068 6.700 0.00 1.00 -ATOM 1660 CAW BOT 1 2 15.350 1.418 0.000 0.00 1.00 -ATOM 1661 CAX BOT 1 2 15.350 1.418 3.350 0.00 1.00 -ATOM 1662 CAY BOT 1 2 15.350 1.418 6.700 0.00 1.00 -ATOM 1663 CAZ BOT 1 2 14.122 3.545 0.000 0.00 1.00 -ATOM 1664 CAa BOT 1 2 14.122 3.545 3.350 0.00 1.00 -ATOM 1665 CAb BOT 1 2 14.122 3.545 6.700 0.00 1.00 -ATOM 1666 CAc BOT 1 2 12.894 5.672 0.000 0.00 1.00 -ATOM 1667 CAd BOT 1 2 12.894 5.672 3.350 0.00 1.00 -ATOM 1668 CAe BOT 1 2 12.894 5.672 6.700 0.00 1.00 -ATOM 1669 CAf BOT 1 2 11.666 7.799 0.000 0.00 1.00 -ATOM 1670 CAg BOT 1 2 11.666 7.799 3.350 0.00 1.00 -ATOM 1671 CAh BOT 1 2 11.666 7.799 6.700 0.00 1.00 -ATOM 1672 CAi BOT 1 2 10.438 9.926 0.000 0.00 1.00 -ATOM 1673 CAj BOT 1 2 10.438 9.926 3.350 0.00 1.00 -ATOM 1674 CAk BOT 1 2 10.438 9.926 6.700 0.00 1.00 -ATOM 1675 CAl BOT 1 2 9.210 12.053 0.000 0.00 1.00 -ATOM 1676 CAm BOT 1 2 9.210 12.053 3.350 0.00 1.00 -ATOM 1677 CAn BOT 1 2 9.210 12.053 6.700 0.00 1.00 -ATOM 1678 CAo BOT 1 2 7.982 14.180 0.000 0.00 1.00 -ATOM 1679 CAp BOT 1 2 7.982 14.180 3.350 0.00 1.00 -ATOM 1680 CAq BOT 1 2 7.982 14.180 6.700 0.00 1.00 -ATOM 1681 CAr BOT 1 2 26.402 16.306 0.000 0.00 1.00 -ATOM 1682 CAs BOT 1 2 26.402 16.306 3.350 0.00 1.00 -ATOM 1683 CAt BOT 1 2 26.402 16.306 6.700 0.00 1.00 -ATOM 1684 CAu BOT 1 2 25.174 18.433 0.000 0.00 1.00 -ATOM 1685 CAv BOT 1 2 25.174 18.433 3.350 0.00 1.00 -ATOM 1686 CAw BOT 1 2 25.174 18.433 6.700 0.00 1.00 -ATOM 1687 CAx BOT 1 2 23.946 20.560 0.000 0.00 1.00 -ATOM 1688 CAy BOT 1 2 23.946 20.560 3.350 0.00 1.00 -ATOM 1689 CAz BOT 1 2 23.946 20.560 6.700 0.00 1.00 -ATOM 1690 CB0 BOT 1 2 22.718 22.687 0.000 0.00 1.00 -ATOM 1691 CB1 BOT 1 2 22.718 22.687 3.350 0.00 1.00 -ATOM 1692 CB2 BOT 1 2 22.718 22.687 6.700 0.00 1.00 -ATOM 1693 CB3 BOT 1 2 21.490 24.814 0.000 0.00 1.00 -ATOM 1694 CB4 BOT 1 2 21.490 24.814 3.350 0.00 1.00 -ATOM 1695 CB5 BOT 1 2 21.490 24.814 6.700 0.00 1.00 -ATOM 1696 CB6 BOT 1 2 20.262 26.941 0.000 0.00 1.00 -ATOM 1697 CB7 BOT 1 2 20.262 26.941 3.350 0.00 1.00 -ATOM 1698 CB8 BOT 1 2 20.262 26.941 6.700 0.00 1.00 -ATOM 1699 CB9 BOT 1 2 19.034 29.068 0.000 0.00 1.00 -ATOM 1700 CBA BOT 1 2 19.034 29.068 3.350 0.00 1.00 -ATOM 1701 CBB BOT 1 2 19.034 29.068 6.700 0.00 1.00 -ATOM 1702 CBC BOT 1 2 17.806 1.418 0.000 0.00 1.00 -ATOM 1703 CBD BOT 1 2 17.806 1.418 3.350 0.00 1.00 -ATOM 1704 CBE BOT 1 2 17.806 1.418 6.700 0.00 1.00 -ATOM 1705 CBF BOT 1 2 16.578 3.545 0.000 0.00 1.00 -ATOM 1706 CBG BOT 1 2 16.578 3.545 3.350 0.00 1.00 -ATOM 1707 CBH BOT 1 2 16.578 3.545 6.700 0.00 1.00 -ATOM 1708 CBI BOT 1 2 15.350 5.672 0.000 0.00 1.00 -ATOM 1709 CBJ BOT 1 2 15.350 5.672 3.350 0.00 1.00 -ATOM 1710 CBK BOT 1 2 15.350 5.672 6.700 0.00 1.00 -ATOM 1711 CBL BOT 1 2 14.122 7.799 0.000 0.00 1.00 -ATOM 1712 CBM BOT 1 2 14.122 7.799 3.350 0.00 1.00 -ATOM 1713 CBN BOT 1 2 14.122 7.799 6.700 0.00 1.00 -ATOM 1714 CBO BOT 1 2 12.894 9.926 0.000 0.00 1.00 -ATOM 1715 CBP BOT 1 2 12.894 9.926 3.350 0.00 1.00 -ATOM 1716 CBQ BOT 1 2 12.894 9.926 6.700 0.00 1.00 -ATOM 1717 CBR BOT 1 2 11.666 12.053 0.000 0.00 1.00 -ATOM 1718 CBS BOT 1 2 11.666 12.053 3.350 0.00 1.00 -ATOM 1719 CBT BOT 1 2 11.666 12.053 6.700 0.00 1.00 -ATOM 1720 CBU BOT 1 2 10.438 14.180 0.000 0.00 1.00 -ATOM 1721 CBV BOT 1 2 10.438 14.180 3.350 0.00 1.00 -ATOM 1722 CBW BOT 1 2 10.438 14.180 6.700 0.00 1.00 -ATOM 1723 CBX BOT 1 2 28.858 16.306 0.000 0.00 1.00 -ATOM 1724 CBY BOT 1 2 28.858 16.306 3.350 0.00 1.00 -ATOM 1725 CBZ BOT 1 2 28.858 16.306 6.700 0.00 1.00 -ATOM 1726 CBa BOT 1 2 27.630 18.433 0.000 0.00 1.00 -ATOM 1727 CBb BOT 1 2 27.630 18.433 3.350 0.00 1.00 -ATOM 1728 CBc BOT 1 2 27.630 18.433 6.700 0.00 1.00 -ATOM 1729 CBd BOT 1 2 26.402 20.560 0.000 0.00 1.00 -ATOM 1730 CBe BOT 1 2 26.402 20.560 3.350 0.00 1.00 -ATOM 1731 CBf BOT 1 2 26.402 20.560 6.700 0.00 1.00 -ATOM 1732 CBg BOT 1 2 25.174 22.687 0.000 0.00 1.00 -ATOM 1733 CBh BOT 1 2 25.174 22.687 3.350 0.00 1.00 -ATOM 1734 CBi BOT 1 2 25.174 22.687 6.700 0.00 1.00 -ATOM 1735 CBj BOT 1 2 23.946 24.814 0.000 0.00 1.00 -ATOM 1736 CBk BOT 1 2 23.946 24.814 3.350 0.00 1.00 -ATOM 1737 CBl BOT 1 2 23.946 24.814 6.700 0.00 1.00 -ATOM 1738 CBm BOT 1 2 22.718 26.941 0.000 0.00 1.00 -ATOM 1739 CBn BOT 1 2 22.718 26.941 3.350 0.00 1.00 -ATOM 1740 CBo BOT 1 2 22.718 26.941 6.700 0.00 1.00 -ATOM 1741 CBp BOT 1 2 21.490 29.068 0.000 0.00 1.00 -ATOM 1742 CBq BOT 1 2 21.490 29.068 3.350 0.00 1.00 -ATOM 1743 CBr BOT 1 2 21.490 29.068 6.700 0.00 1.00 -ATOM 1744 CBs BOT 1 2 20.262 1.418 0.000 0.00 1.00 -ATOM 1745 CBt BOT 1 2 20.262 1.418 3.350 0.00 1.00 -ATOM 1746 CBu BOT 1 2 20.262 1.418 6.700 0.00 1.00 -ATOM 1747 CBv BOT 1 2 19.034 3.545 0.000 0.00 1.00 -ATOM 1748 CBw BOT 1 2 19.034 3.545 3.350 0.00 1.00 -ATOM 1749 CBx BOT 1 2 19.034 3.545 6.700 0.00 1.00 -ATOM 1750 CBy BOT 1 2 17.806 5.672 0.000 0.00 1.00 -ATOM 1751 CBz BOT 1 2 17.806 5.672 3.350 0.00 1.00 -ATOM 1752 CC0 BOT 1 2 17.806 5.672 6.700 0.00 1.00 -ATOM 1753 CC1 BOT 1 2 16.578 7.799 0.000 0.00 1.00 -ATOM 1754 CC2 BOT 1 2 16.578 7.799 3.350 0.00 1.00 -ATOM 1755 CC3 BOT 1 2 16.578 7.799 6.700 0.00 1.00 -ATOM 1756 CC4 BOT 1 2 15.350 9.926 0.000 0.00 1.00 -ATOM 1757 CC5 BOT 1 2 15.350 9.926 3.350 0.00 1.00 -ATOM 1758 CC6 BOT 1 2 15.350 9.926 6.700 0.00 1.00 -ATOM 1759 CC7 BOT 1 2 14.122 12.053 0.000 0.00 1.00 -ATOM 1760 CC8 BOT 1 2 14.122 12.053 3.350 0.00 1.00 -ATOM 1761 CC9 BOT 1 2 14.122 12.053 6.700 0.00 1.00 -ATOM 1762 CCA BOT 1 2 12.894 14.180 0.000 0.00 1.00 -ATOM 1763 CCB BOT 1 2 12.894 14.180 3.350 0.00 1.00 -ATOM 1764 CCC BOT 1 2 12.894 14.180 6.700 0.00 1.00 -ATOM 1765 CCD BOT 1 2 1.842 16.306 0.000 0.00 1.00 -ATOM 1766 CCE BOT 1 2 1.842 16.306 3.350 0.00 1.00 -ATOM 1767 CCF BOT 1 2 1.842 16.306 6.700 0.00 1.00 -ATOM 1768 CCG BOT 1 2 0.614 18.433 0.000 0.00 1.00 -ATOM 1769 CCH BOT 1 2 0.614 18.433 3.350 0.00 1.00 -ATOM 1770 CCI BOT 1 2 0.614 18.433 6.700 0.00 1.00 -ATOM 1771 CCJ BOT 1 2 28.858 20.560 0.000 0.00 1.00 -ATOM 1772 CCK BOT 1 2 28.858 20.560 3.350 0.00 1.00 -ATOM 1773 CCL BOT 1 2 28.858 20.560 6.700 0.00 1.00 -ATOM 1774 CCM BOT 1 2 27.630 22.687 0.000 0.00 1.00 -ATOM 1775 CCN BOT 1 2 27.630 22.687 3.350 0.00 1.00 -ATOM 1776 CCO BOT 1 2 27.630 22.687 6.700 0.00 1.00 -ATOM 1777 CCP BOT 1 2 26.402 24.814 0.000 0.00 1.00 -ATOM 1778 CCQ BOT 1 2 26.402 24.814 3.350 0.00 1.00 -ATOM 1779 CCR BOT 1 2 26.402 24.814 6.700 0.00 1.00 -ATOM 1780 CCS BOT 1 2 25.174 26.941 0.000 0.00 1.00 -ATOM 1781 CCT BOT 1 2 25.174 26.941 3.350 0.00 1.00 -ATOM 1782 CCU BOT 1 2 25.174 26.941 6.700 0.00 1.00 -ATOM 1783 CCV BOT 1 2 23.946 29.068 0.000 0.00 1.00 -ATOM 1784 CCW BOT 1 2 23.946 29.068 3.350 0.00 1.00 -ATOM 1785 CCX BOT 1 2 23.946 29.068 6.700 0.00 1.00 -ATOM 1786 CCY BOT 1 2 22.718 1.418 0.000 0.00 1.00 -ATOM 1787 CCZ BOT 1 2 22.718 1.418 3.350 0.00 1.00 -ATOM 1788 CCa BOT 1 2 22.718 1.418 6.700 0.00 1.00 -ATOM 1789 CCb BOT 1 2 21.490 3.545 0.000 0.00 1.00 -ATOM 1790 CCc BOT 1 2 21.490 3.545 3.350 0.00 1.00 -ATOM 1791 CCd BOT 1 2 21.490 3.545 6.700 0.00 1.00 -ATOM 1792 CCe BOT 1 2 20.262 5.672 0.000 0.00 1.00 -ATOM 1793 CCf BOT 1 2 20.262 5.672 3.350 0.00 1.00 -ATOM 1794 CCg BOT 1 2 20.262 5.672 6.700 0.00 1.00 -ATOM 1795 CCh BOT 1 2 19.034 7.799 0.000 0.00 1.00 -ATOM 1796 CCi BOT 1 2 19.034 7.799 3.350 0.00 1.00 -ATOM 1797 CCj BOT 1 2 19.034 7.799 6.700 0.00 1.00 -ATOM 1798 CCk BOT 1 2 17.806 9.926 0.000 0.00 1.00 -ATOM 1799 CCl BOT 1 2 17.806 9.926 3.350 0.00 1.00 -ATOM 1800 CCm BOT 1 2 17.806 9.926 6.700 0.00 1.00 -ATOM 1801 CCn BOT 1 2 16.578 12.053 0.000 0.00 1.00 -ATOM 1802 CCo BOT 1 2 16.578 12.053 3.350 0.00 1.00 -ATOM 1803 CCp BOT 1 2 16.578 12.053 6.700 0.00 1.00 -ATOM 1804 CCq BOT 1 2 15.350 14.180 0.000 0.00 1.00 -ATOM 1805 CCr BOT 1 2 15.350 14.180 3.350 0.00 1.00 -ATOM 1806 CCs BOT 1 2 15.350 14.180 6.700 0.00 1.00 -ATOM 1807 CCt BOT 1 2 4.298 16.306 0.000 0.00 1.00 -ATOM 1808 CCu BOT 1 2 4.298 16.306 3.350 0.00 1.00 -ATOM 1809 CCv BOT 1 2 4.298 16.306 6.700 0.00 1.00 -ATOM 1810 CCw BOT 1 2 3.070 18.433 0.000 0.00 1.00 -ATOM 1811 CCx BOT 1 2 3.070 18.433 3.350 0.00 1.00 -ATOM 1812 CCy BOT 1 2 3.070 18.433 6.700 0.00 1.00 -ATOM 1813 CCz BOT 1 2 1.842 20.560 0.000 0.00 1.00 -ATOM 1814 CD0 BOT 1 2 1.842 20.560 3.350 0.00 1.00 -ATOM 1815 CD1 BOT 1 2 1.842 20.560 6.700 0.00 1.00 -ATOM 1816 CD2 BOT 1 2 0.614 22.687 0.000 0.00 1.00 -ATOM 1817 CD3 BOT 1 2 0.614 22.687 3.350 0.00 1.00 -ATOM 1818 CD4 BOT 1 2 0.614 22.687 6.700 0.00 1.00 -ATOM 1819 CD5 BOT 1 2 28.858 24.814 0.000 0.00 1.00 -ATOM 1820 CD6 BOT 1 2 28.858 24.814 3.350 0.00 1.00 -ATOM 1821 CD7 BOT 1 2 28.858 24.814 6.700 0.00 1.00 -ATOM 1822 CD8 BOT 1 2 27.630 26.941 0.000 0.00 1.00 -ATOM 1823 CD9 BOT 1 2 27.630 26.941 3.350 0.00 1.00 -ATOM 1824 CDA BOT 1 2 27.630 26.941 6.700 0.00 1.00 -ATOM 1825 CDB BOT 1 2 26.402 29.068 0.000 0.00 1.00 -ATOM 1826 CDC BOT 1 2 26.402 29.068 3.350 0.00 1.00 -ATOM 1827 CDD BOT 1 2 26.402 29.068 6.700 0.00 1.00 -ATOM 1828 CDE BOT 1 2 25.174 1.418 0.000 0.00 1.00 -ATOM 1829 CDF BOT 1 2 25.174 1.418 3.350 0.00 1.00 -ATOM 1830 CDG BOT 1 2 25.174 1.418 6.700 0.00 1.00 -ATOM 1831 CDH BOT 1 2 23.946 3.545 0.000 0.00 1.00 -ATOM 1832 CDI BOT 1 2 23.946 3.545 3.350 0.00 1.00 -ATOM 1833 CDJ BOT 1 2 23.946 3.545 6.700 0.00 1.00 -ATOM 1834 CDK BOT 1 2 22.718 5.672 0.000 0.00 1.00 -ATOM 1835 CDL BOT 1 2 22.718 5.672 3.350 0.00 1.00 -ATOM 1836 CDM BOT 1 2 22.718 5.672 6.700 0.00 1.00 -ATOM 1837 CDN BOT 1 2 21.490 7.799 0.000 0.00 1.00 -ATOM 1838 CDO BOT 1 2 21.490 7.799 3.350 0.00 1.00 -ATOM 1839 CDP BOT 1 2 21.490 7.799 6.700 0.00 1.00 -ATOM 1840 CDQ BOT 1 2 20.262 9.926 0.000 0.00 1.00 -ATOM 1841 CDR BOT 1 2 20.262 9.926 3.350 0.00 1.00 -ATOM 1842 CDS BOT 1 2 20.262 9.926 6.700 0.00 1.00 -ATOM 1843 CDT BOT 1 2 19.034 12.053 0.000 0.00 1.00 -ATOM 1844 CDU BOT 1 2 19.034 12.053 3.350 0.00 1.00 -ATOM 1845 CDV BOT 1 2 19.034 12.053 6.700 0.00 1.00 -ATOM 1846 CDW BOT 1 2 17.806 14.180 0.000 0.00 1.00 -ATOM 1847 CDX BOT 1 2 17.806 14.180 3.350 0.00 1.00 -ATOM 1848 CDY BOT 1 2 17.806 14.180 6.700 0.00 1.00 -ATOM 1849 CDZ BOT 1 2 6.754 16.306 0.000 0.00 1.00 -ATOM 1850 CDa BOT 1 2 6.754 16.306 3.350 0.00 1.00 -ATOM 1851 CDb BOT 1 2 6.754 16.306 6.700 0.00 1.00 -ATOM 1852 CDc BOT 1 2 5.526 18.433 0.000 0.00 1.00 -ATOM 1853 CDd BOT 1 2 5.526 18.433 3.350 0.00 1.00 -ATOM 1854 CDe BOT 1 2 5.526 18.433 6.700 0.00 1.00 -ATOM 1855 CDf BOT 1 2 4.298 20.560 0.000 0.00 1.00 -ATOM 1856 CDg BOT 1 2 4.298 20.560 3.350 0.00 1.00 -ATOM 1857 CDh BOT 1 2 4.298 20.560 6.700 0.00 1.00 -ATOM 1858 CDi BOT 1 2 3.070 22.687 0.000 0.00 1.00 -ATOM 1859 CDj BOT 1 2 3.070 22.687 3.350 0.00 1.00 -ATOM 1860 CDk BOT 1 2 3.070 22.687 6.700 0.00 1.00 -ATOM 1861 CDl BOT 1 2 1.842 24.814 0.000 0.00 1.00 -ATOM 1862 CDm BOT 1 2 1.842 24.814 3.350 0.00 1.00 -ATOM 1863 CDn BOT 1 2 1.842 24.814 6.700 0.00 1.00 -ATOM 1864 CDo BOT 1 2 0.614 26.941 0.000 0.00 1.00 -ATOM 1865 CDp BOT 1 2 0.614 26.941 3.350 0.00 1.00 -ATOM 1866 CDq BOT 1 2 0.614 26.941 6.700 0.00 1.00 -ATOM 1867 CDr BOT 1 2 28.858 29.068 0.000 0.00 1.00 -ATOM 1868 CDs BOT 1 2 28.858 29.068 3.350 0.00 1.00 -ATOM 1869 CDt BOT 1 2 28.858 29.068 6.700 0.00 1.00 -ATOM 1870 CDu BOT 1 2 27.630 1.418 0.000 0.00 1.00 -ATOM 1871 CDv BOT 1 2 27.630 1.418 3.350 0.00 1.00 -ATOM 1872 CDw BOT 1 2 27.630 1.418 6.700 0.00 1.00 -ATOM 1873 CDx BOT 1 2 26.402 3.545 0.000 0.00 1.00 -ATOM 1874 CDy BOT 1 2 26.402 3.545 3.350 0.00 1.00 -ATOM 1875 CDz BOT 1 2 26.402 3.545 6.700 0.00 1.00 -ATOM 1876 CE0 BOT 1 2 25.174 5.672 0.000 0.00 1.00 -ATOM 1877 CE1 BOT 1 2 25.174 5.672 3.350 0.00 1.00 -ATOM 1878 CE2 BOT 1 2 25.174 5.672 6.700 0.00 1.00 -ATOM 1879 CE3 BOT 1 2 23.946 7.799 0.000 0.00 1.00 -ATOM 1880 CE4 BOT 1 2 23.946 7.799 3.350 0.00 1.00 -ATOM 1881 CE5 BOT 1 2 23.946 7.799 6.700 0.00 1.00 -ATOM 1882 CE6 BOT 1 2 22.718 9.926 0.000 0.00 1.00 -ATOM 1883 CE7 BOT 1 2 22.718 9.926 3.350 0.00 1.00 -ATOM 1884 CE8 BOT 1 2 22.718 9.926 6.700 0.00 1.00 -ATOM 1885 CE9 BOT 1 2 21.490 12.053 0.000 0.00 1.00 -ATOM 1886 CEA BOT 1 2 21.490 12.053 3.350 0.00 1.00 -ATOM 1887 CEB BOT 1 2 21.490 12.053 6.700 0.00 1.00 -ATOM 1888 CEC BOT 1 2 20.262 14.180 0.000 0.00 1.00 -ATOM 1889 CED BOT 1 2 20.262 14.180 3.350 0.00 1.00 -ATOM 1890 CEE BOT 1 2 20.262 14.180 6.700 0.00 1.00 -ATOM 1891 CEF BOT 1 2 9.210 16.306 0.000 0.00 1.00 -ATOM 1892 CEG BOT 1 2 9.210 16.306 3.350 0.00 1.00 -ATOM 1893 CEH BOT 1 2 9.210 16.306 6.700 0.00 1.00 -ATOM 1894 CEI BOT 1 2 7.982 18.433 0.000 0.00 1.00 -ATOM 1895 CEJ BOT 1 2 7.982 18.433 3.350 0.00 1.00 -ATOM 1896 CEK BOT 1 2 7.982 18.433 6.700 0.00 1.00 -ATOM 1897 CEL BOT 1 2 6.754 20.560 0.000 0.00 1.00 -ATOM 1898 CEM BOT 1 2 6.754 20.560 3.350 0.00 1.00 -ATOM 1899 CEN BOT 1 2 6.754 20.560 6.700 0.00 1.00 -ATOM 1900 CEO BOT 1 2 5.526 22.687 0.000 0.00 1.00 -ATOM 1901 CEP BOT 1 2 5.526 22.687 3.350 0.00 1.00 -ATOM 1902 CEQ BOT 1 2 5.526 22.687 6.700 0.00 1.00 -ATOM 1903 CER BOT 1 2 4.298 24.814 0.000 0.00 1.00 -ATOM 1904 CES BOT 1 2 4.298 24.814 3.350 0.00 1.00 -ATOM 1905 CET BOT 1 2 4.298 24.814 6.700 0.00 1.00 -ATOM 1906 CEU BOT 1 2 3.070 26.941 0.000 0.00 1.00 -ATOM 1907 CEV BOT 1 2 3.070 26.941 3.350 0.00 1.00 -ATOM 1908 CEW BOT 1 2 3.070 26.941 6.700 0.00 1.00 -ATOM 1909 CEX BOT 1 2 1.842 29.068 0.000 0.00 1.00 -ATOM 1910 CEY BOT 1 2 1.842 29.068 3.350 0.00 1.00 -ATOM 1911 CEZ BOT 1 2 1.842 29.068 6.700 0.00 1.00 -ATOM 1912 CEa BOT 1 2 0.614 1.418 0.000 0.00 1.00 -ATOM 1913 CEb BOT 1 2 0.614 1.418 3.350 0.00 1.00 -ATOM 1914 CEc BOT 1 2 0.614 1.418 6.700 0.00 1.00 -ATOM 1915 CEd BOT 1 2 28.858 3.545 0.000 0.00 1.00 -ATOM 1916 CEe BOT 1 2 28.858 3.545 3.350 0.00 1.00 -ATOM 1917 CEf BOT 1 2 28.858 3.545 6.700 0.00 1.00 -ATOM 1918 CEg BOT 1 2 27.630 5.672 0.000 0.00 1.00 -ATOM 1919 CEh BOT 1 2 27.630 5.672 3.350 0.00 1.00 -ATOM 1920 CEi BOT 1 2 27.630 5.672 6.700 0.00 1.00 -ATOM 1921 CEj BOT 1 2 26.402 7.799 0.000 0.00 1.00 -ATOM 1922 CEk BOT 1 2 26.402 7.799 3.350 0.00 1.00 -ATOM 1923 CEl BOT 1 2 26.402 7.799 6.700 0.00 1.00 -ATOM 1924 CEm BOT 1 2 25.174 9.926 0.000 0.00 1.00 -ATOM 1925 CEn BOT 1 2 25.174 9.926 3.350 0.00 1.00 -ATOM 1926 CEo BOT 1 2 25.174 9.926 6.700 0.00 1.00 -ATOM 1927 CEp BOT 1 2 23.946 12.053 0.000 0.00 1.00 -ATOM 1928 CEq BOT 1 2 23.946 12.053 3.350 0.00 1.00 -ATOM 1929 CEr BOT 1 2 23.946 12.053 6.700 0.00 1.00 -ATOM 1930 CEs BOT 1 2 22.718 14.180 0.000 0.00 1.00 -ATOM 1931 CEt BOT 1 2 22.718 14.180 3.350 0.00 1.00 -ATOM 1932 CEu BOT 1 2 22.718 14.180 6.700 0.00 1.00 -ATOM 1933 CEv BOT 1 2 11.666 16.306 0.000 0.00 1.00 -ATOM 1934 CEw BOT 1 2 11.666 16.306 3.350 0.00 1.00 -ATOM 1935 CEx BOT 1 2 11.666 16.306 6.700 0.00 1.00 -ATOM 1936 CEy BOT 1 2 10.438 18.433 0.000 0.00 1.00 -ATOM 1937 CEz BOT 1 2 10.438 18.433 3.350 0.00 1.00 -ATOM 1938 CF0 BOT 1 2 10.438 18.433 6.700 0.00 1.00 -ATOM 1939 CF1 BOT 1 2 9.210 20.560 0.000 0.00 1.00 -ATOM 1940 CF2 BOT 1 2 9.210 20.560 3.350 0.00 1.00 -ATOM 1941 CF3 BOT 1 2 9.210 20.560 6.700 0.00 1.00 -ATOM 1942 CF4 BOT 1 2 7.982 22.687 0.000 0.00 1.00 -ATOM 1943 CF5 BOT 1 2 7.982 22.687 3.350 0.00 1.00 -ATOM 1944 CF6 BOT 1 2 7.982 22.687 6.700 0.00 1.00 -ATOM 1945 CF7 BOT 1 2 6.754 24.814 0.000 0.00 1.00 -ATOM 1946 CF8 BOT 1 2 6.754 24.814 3.350 0.00 1.00 -ATOM 1947 CF9 BOT 1 2 6.754 24.814 6.700 0.00 1.00 -ATOM 1948 CFA BOT 1 2 5.526 26.941 0.000 0.00 1.00 -ATOM 1949 CFB BOT 1 2 5.526 26.941 3.350 0.00 1.00 -ATOM 1950 CFC BOT 1 2 5.526 26.941 6.700 0.00 1.00 -ATOM 1951 CFD BOT 1 2 4.298 29.068 0.000 0.00 1.00 -ATOM 1952 CFE BOT 1 2 4.298 29.068 3.350 0.00 1.00 -ATOM 1953 CFF BOT 1 2 4.298 29.068 6.700 0.00 1.00 -ATOM 1954 CFG BOT 1 2 3.070 1.418 0.000 0.00 1.00 -ATOM 1955 CFH BOT 1 2 3.070 1.418 3.350 0.00 1.00 -ATOM 1956 CFI BOT 1 2 3.070 1.418 6.700 0.00 1.00 -ATOM 1957 CFJ BOT 1 2 1.842 3.545 0.000 0.00 1.00 -ATOM 1958 CFK BOT 1 2 1.842 3.545 3.350 0.00 1.00 -ATOM 1959 CFL BOT 1 2 1.842 3.545 6.700 0.00 1.00 -ATOM 1960 CFM BOT 1 2 0.614 5.672 0.000 0.00 1.00 -ATOM 1961 CFN BOT 1 2 0.614 5.672 3.350 0.00 1.00 -ATOM 1962 CFO BOT 1 2 0.614 5.672 6.700 0.00 1.00 -ATOM 1963 CFP BOT 1 2 28.858 7.799 0.000 0.00 1.00 -ATOM 1964 CFQ BOT 1 2 28.858 7.799 3.350 0.00 1.00 -ATOM 1965 CFR BOT 1 2 28.858 7.799 6.700 0.00 1.00 -ATOM 1966 CFS BOT 1 2 27.630 9.926 0.000 0.00 1.00 -ATOM 1967 CFT BOT 1 2 27.630 9.926 3.350 0.00 1.00 -ATOM 1968 CFU BOT 1 2 27.630 9.926 6.700 0.00 1.00 -ATOM 1969 CFV BOT 1 2 26.402 12.053 0.000 0.00 1.00 -ATOM 1970 CFW BOT 1 2 26.402 12.053 3.350 0.00 1.00 -ATOM 1971 CFX BOT 1 2 26.402 12.053 6.700 0.00 1.00 -ATOM 1972 CFY BOT 1 2 25.174 14.180 0.000 0.00 1.00 -ATOM 1973 CFZ BOT 1 2 25.174 14.180 3.350 0.00 1.00 -ATOM 1974 CFa BOT 1 2 25.174 14.180 6.700 0.00 1.00 -ATOM 1975 CFb BOT 1 2 14.122 16.306 0.000 0.00 1.00 -ATOM 1976 CFc BOT 1 2 14.122 16.306 3.350 0.00 1.00 -ATOM 1977 CFd BOT 1 2 14.122 16.306 6.700 0.00 1.00 -ATOM 1978 CFe BOT 1 2 12.894 18.433 0.000 0.00 1.00 -ATOM 1979 CFf BOT 1 2 12.894 18.433 3.350 0.00 1.00 -ATOM 1980 CFg BOT 1 2 12.894 18.433 6.700 0.00 1.00 -ATOM 1981 CFh BOT 1 2 11.666 20.560 0.000 0.00 1.00 -ATOM 1982 CFi BOT 1 2 11.666 20.560 3.350 0.00 1.00 -ATOM 1983 CFj BOT 1 2 11.666 20.560 6.700 0.00 1.00 -ATOM 1984 CFk BOT 1 2 10.438 22.687 0.000 0.00 1.00 -ATOM 1985 CFl BOT 1 2 10.438 22.687 3.350 0.00 1.00 -ATOM 1986 CFm BOT 1 2 10.438 22.687 6.700 0.00 1.00 -ATOM 1987 CFn BOT 1 2 9.210 24.814 0.000 0.00 1.00 -ATOM 1988 CFo BOT 1 2 9.210 24.814 3.350 0.00 1.00 -ATOM 1989 CFp BOT 1 2 9.210 24.814 6.700 0.00 1.00 -ATOM 1990 CFq BOT 1 2 7.982 26.941 0.000 0.00 1.00 -ATOM 1991 CFr BOT 1 2 7.982 26.941 3.350 0.00 1.00 -ATOM 1992 CFs BOT 1 2 7.982 26.941 6.700 0.00 1.00 -ATOM 1993 CFt BOT 1 2 6.754 29.068 0.000 0.00 1.00 -ATOM 1994 CFu BOT 1 2 6.754 29.068 3.350 0.00 1.00 -ATOM 1995 CFv BOT 1 2 6.754 29.068 6.700 0.00 1.00 -ATOM 1996 CFw BOT 1 2 5.526 1.418 0.000 0.00 1.00 -ATOM 1997 CFx BOT 1 2 5.526 1.418 3.350 0.00 1.00 -ATOM 1998 CFy BOT 1 2 5.526 1.418 6.700 0.00 1.00 -ATOM 1999 CFz BOT 1 2 4.298 3.545 0.000 0.00 1.00 -ATOM 2000 CG0 BOT 1 2 4.298 3.545 3.350 0.00 1.00 -ATOM 2001 CG1 BOT 1 2 4.298 3.545 6.700 0.00 1.00 -ATOM 2002 CG2 BOT 1 2 3.070 5.672 0.000 0.00 1.00 -ATOM 2003 CG3 BOT 1 2 3.070 5.672 3.350 0.00 1.00 -ATOM 2004 CG4 BOT 1 2 3.070 5.672 6.700 0.00 1.00 -ATOM 2005 CG5 BOT 1 2 1.842 7.799 0.000 0.00 1.00 -ATOM 2006 CG6 BOT 1 2 1.842 7.799 3.350 0.00 1.00 -ATOM 2007 CG7 BOT 1 2 1.842 7.799 6.700 0.00 1.00 -ATOM 2008 CG8 BOT 1 2 0.614 9.926 0.000 0.00 1.00 -ATOM 2009 CG9 BOT 1 2 0.614 9.926 3.350 0.00 1.00 -ATOM 2010 CGA BOT 1 2 0.614 9.926 6.700 0.00 1.00 -ATOM 2011 CGB BOT 1 2 28.858 12.053 0.000 0.00 1.00 -ATOM 2012 CGC BOT 1 2 28.858 12.053 3.350 0.00 1.00 -ATOM 2013 CGD BOT 1 2 28.858 12.053 6.700 0.00 1.00 -ATOM 2014 CGE BOT 1 2 27.630 14.180 0.000 0.00 1.00 -ATOM 2015 CGF BOT 1 2 27.630 14.180 3.350 0.00 1.00 -ATOM 2016 CGG BOT 1 2 27.630 14.180 6.700 0.00 1.00 -ATOM 2017 O1 H2O 1 3 22.844 10.565 23.681 0.00 0.00 -ATOM 2018 H1 H2O 1 3 23.535 11.277 23.813 0.00 0.00 -ATOM 2019 H2 H2O 1 3 22.235 10.542 24.474 0.00 0.00 -ATOM 2020 O1 H2O 2 4 27.001 27.681 19.735 0.00 0.00 -ATOM 2021 H1 H2O 2 4 26.612 28.600 19.663 0.00 0.00 -ATOM 2022 H2 H2O 2 4 26.782 27.296 20.631 0.00 0.00 -ATOM 2023 O1 H2O 3 5 10.875 17.926 22.612 0.00 0.00 -ATOM 2024 H1 H2O 3 5 10.914 18.314 21.691 0.00 0.00 -ATOM 2025 H2 H2O 3 5 9.920 17.802 22.882 0.00 0.00 -ATOM 2026 O1 H2O 4 6 28.964 25.931 23.661 0.00 0.00 -ATOM 2027 H1 H2O 4 6 29.043 26.306 24.585 0.00 0.00 -ATOM 2028 H2 H2O 4 6 29.291 24.986 23.656 0.00 0.00 -ATOM 2029 O1 H2O 5 7 17.298 23.499 19.738 0.00 0.00 -ATOM 2030 H1 H2O 5 7 17.774 22.635 19.902 0.00 0.00 -ATOM 2031 H2 H2O 5 7 17.384 23.749 18.774 0.00 0.00 -ATOM 2032 O1 H2O 6 8 14.102 14.036 20.700 0.00 0.00 -ATOM 2033 H1 H2O 6 8 14.412 14.041 21.650 0.00 0.00 -ATOM 2034 H2 H2O 6 8 13.237 14.533 20.629 0.00 0.00 -ATOM 2035 O1 H2O 7 9 25.368 5.663 22.832 0.00 0.00 -ATOM 2036 H1 H2O 7 9 25.949 6.456 23.012 0.00 0.00 -ATOM 2037 H2 H2O 7 9 24.470 5.805 23.250 0.00 0.00 -ATOM 2038 O1 H2O 8 10 22.292 22.344 23.245 0.00 0.00 -ATOM 2039 H1 H2O 8 10 23.259 22.142 23.400 0.00 0.00 -ATOM 2040 H2 H2O 8 10 21.848 21.551 22.829 0.00 0.00 -ATOM 2041 O1 H2O 9 11 27.784 10.126 23.155 0.00 0.00 -ATOM 2042 H1 H2O 9 11 26.853 9.916 23.453 0.00 0.00 -ATOM 2043 H2 H2O 9 11 27.958 11.105 23.268 0.00 0.00 -ATOM 2044 O1 H2O 0 12 11.136 20.427 23.598 0.00 0.00 -ATOM 2045 H1 H2O 0 12 10.643 21.181 23.164 0.00 0.00 -ATOM 2046 H2 H2O 0 12 10.582 19.596 23.549 0.00 0.00 -ATOM 2047 O1 H2O 1 13 13.634 28.414 21.171 0.00 0.00 -ATOM 2048 H1 H2O 1 13 12.847 28.927 20.830 0.00 0.00 -ATOM 2049 H2 H2O 1 13 14.478 28.872 20.892 0.00 0.00 -ATOM 2050 O1 H2O 2 14 9.972 2.204 23.486 0.00 0.00 -ATOM 2051 H1 H2O 2 14 10.814 2.502 23.038 0.00 0.00 -ATOM 2052 H2 H2O 2 14 9.315 2.957 23.496 0.00 0.00 -ATOM 2053 O1 H2O 3 15 0.110 20.336 20.042 0.00 0.00 -ATOM 2054 H1 H2O 3 15 1.075 20.503 19.837 0.00 0.00 -ATOM 2055 H2 H2O 3 15 -0.067 19.352 20.033 0.00 0.00 -ATOM 2056 O1 H2O 4 16 27.363 7.279 23.651 0.00 0.00 -ATOM 2057 H1 H2O 4 16 28.230 7.734 23.852 0.00 0.00 -ATOM 2058 H2 H2O 4 16 26.610 7.813 24.035 0.00 0.00 -ATOM 2059 O1 H2O 5 17 18.471 25.730 23.008 0.00 0.00 -ATOM 2060 H1 H2O 5 17 19.374 25.309 23.094 0.00 0.00 -ATOM 2061 H2 H2O 5 17 17.765 25.038 23.160 0.00 0.00 -ATOM 2062 O1 H2O 6 18 0.610 7.901 20.792 0.00 0.00 -ATOM 2063 H1 H2O 6 18 1.141 8.284 21.549 0.00 0.00 -ATOM 2064 H2 H2O 6 18 -0.165 8.500 20.593 0.00 0.00 -ATOM 2065 O1 H2O 7 19 13.583 17.409 23.535 0.00 0.00 -ATOM 2066 H1 H2O 7 19 13.949 18.330 23.671 0.00 0.00 -ATOM 2067 H2 H2O 7 19 12.628 17.470 23.244 0.00 0.00 -ATOM 2068 O1 H2O 8 20 28.300 2.011 23.880 0.00 0.00 -ATOM 2069 H1 H2O 8 20 27.896 1.750 24.757 0.00 0.00 -ATOM 2070 H2 H2O 8 20 28.127 2.981 23.710 0.00 0.00 -ATOM 2071 O1 H2O 9 21 18.749 3.756 22.935 0.00 0.00 -ATOM 2072 H1 H2O 9 21 19.726 3.953 22.857 0.00 0.00 -ATOM 2073 H2 H2O 9 21 18.613 2.769 23.016 0.00 0.00 -ATOM 2074 O1 H2O 0 22 24.040 22.392 20.005 0.00 0.00 -ATOM 2075 H1 H2O 0 22 23.046 22.462 19.922 0.00 0.00 -ATOM 2076 H2 H2O 0 22 24.451 23.290 19.849 0.00 0.00 -ATOM 2077 O1 H2O 1 23 28.247 15.774 23.447 0.00 0.00 -ATOM 2078 H1 H2O 1 23 28.960 16.463 23.313 0.00 0.00 -ATOM 2079 H2 H2O 1 23 27.355 16.223 23.494 0.00 0.00 -ATOM 2080 O1 H2O 2 24 2.646 10.666 23.639 0.00 0.00 -ATOM 2081 H1 H2O 2 24 2.097 11.244 23.035 0.00 0.00 -ATOM 2082 H2 H2O 2 24 2.557 10.988 24.581 0.00 0.00 -ATOM 2083 O1 H2O 3 25 12.601 2.916 22.481 0.00 0.00 -ATOM 2084 H1 H2O 3 25 13.247 3.601 22.816 0.00 0.00 -ATOM 2085 H2 H2O 3 25 12.838 2.664 21.543 0.00 0.00 -ATOM 2086 O1 H2O 4 26 27.295 24.762 19.799 0.00 0.00 -ATOM 2087 H1 H2O 4 26 26.300 24.659 19.809 0.00 0.00 -ATOM 2088 H2 H2O 4 26 27.530 25.721 19.641 0.00 0.00 -ATOM 2089 O1 H2O 5 27 7.673 1.825 21.241 0.00 0.00 -ATOM 2090 H1 H2O 5 27 8.618 2.097 21.059 0.00 0.00 -ATOM 2091 H2 H2O 5 27 7.617 1.398 22.144 0.00 0.00 -ATOM 2092 O1 H2O 6 28 3.276 3.723 19.794 0.00 0.00 -ATOM 2093 H1 H2O 6 28 2.955 3.780 18.849 0.00 0.00 -ATOM 2094 H2 H2O 6 28 3.943 2.983 19.876 0.00 0.00 -ATOM 2095 O1 H2O 7 29 19.936 18.551 20.189 0.00 0.00 -ATOM 2096 H1 H2O 7 29 20.550 18.979 19.525 0.00 0.00 -ATOM 2097 H2 H2O 7 29 19.011 18.912 20.069 0.00 0.00 -ATOM 2098 O1 H2O 8 30 15.369 0.425 20.544 0.00 0.00 -ATOM 2099 H1 H2O 8 30 14.537 0.701 20.063 0.00 0.00 -ATOM 2100 H2 H2O 8 30 15.615 1.126 21.214 0.00 0.00 -ATOM 2101 O1 H2O 9 31 3.864 8.315 19.817 0.00 0.00 -ATOM 2102 H1 H2O 9 31 4.254 7.481 19.426 0.00 0.00 -ATOM 2103 H2 H2O 9 31 3.438 8.103 20.696 0.00 0.00 -ATOM 2104 O1 H2O 0 32 29.409 17.519 19.838 0.00 0.00 -ATOM 2105 H1 H2O 0 32 28.449 17.749 19.995 0.00 0.00 -ATOM 2106 H2 H2O 0 32 29.503 16.529 19.732 0.00 0.00 -ATOM 2107 O1 H2O 1 33 18.536 5.562 19.748 0.00 0.00 -ATOM 2108 H1 H2O 1 33 18.081 4.676 19.660 0.00 0.00 -ATOM 2109 H2 H2O 1 33 17.865 6.295 19.636 0.00 0.00 -ATOM 2110 O1 H2O 2 34 26.230 0.485 19.714 0.00 0.00 -ATOM 2111 H1 H2O 2 34 25.660 1.286 19.532 0.00 0.00 -ATOM 2112 H2 H2O 2 34 27.148 0.782 19.975 0.00 0.00 -ATOM 2113 O1 H2O 3 35 21.518 8.479 22.722 0.00 0.00 -ATOM 2114 H1 H2O 3 35 22.085 9.278 22.921 0.00 0.00 -ATOM 2115 H2 H2O 3 35 21.964 7.657 23.076 0.00 0.00 -ATOM 2116 O1 H2O 4 36 12.705 14.850 23.350 0.00 0.00 -ATOM 2117 H1 H2O 4 36 13.161 15.709 23.583 0.00 0.00 -ATOM 2118 H2 H2O 4 36 13.375 14.108 23.339 0.00 0.00 -ATOM 2119 O1 H2O 5 37 21.751 4.484 20.326 0.00 0.00 -ATOM 2120 H1 H2O 5 37 22.209 3.823 19.732 0.00 0.00 -ATOM 2121 H2 H2O 5 37 20.865 4.728 19.931 0.00 0.00 -ATOM 2122 O1 H2O 6 38 16.293 15.752 22.417 0.00 0.00 -ATOM 2123 H1 H2O 6 38 15.879 16.232 23.191 0.00 0.00 -ATOM 2124 H2 H2O 6 38 16.003 16.185 21.564 0.00 0.00 -ATOM 2125 O1 H2O 7 39 9.395 24.951 21.365 0.00 0.00 -ATOM 2126 H1 H2O 7 39 9.172 24.338 20.607 0.00 0.00 -ATOM 2127 H2 H2O 7 39 8.735 25.702 21.393 0.00 0.00 -ATOM 2128 O1 H2O 8 40 8.869 7.733 20.338 0.00 0.00 -ATOM 2129 H1 H2O 8 40 9.837 7.971 20.252 0.00 0.00 -ATOM 2130 H2 H2O 8 40 8.661 6.959 19.740 0.00 0.00 -ATOM 2131 O1 H2O 9 41 27.817 12.732 23.199 0.00 0.00 -ATOM 2132 H1 H2O 9 41 28.577 13.296 23.524 0.00 0.00 -ATOM 2133 H2 H2O 9 41 27.360 13.195 22.439 0.00 0.00 -ATOM 2134 O1 H2O 0 42 24.082 0.526 22.518 0.00 0.00 -ATOM 2135 H1 H2O 0 42 24.749 -0.186 22.301 0.00 0.00 -ATOM 2136 H2 H2O 0 42 24.556 1.327 22.884 0.00 0.00 -ATOM 2137 O1 H2O 1 43 19.007 22.366 23.063 0.00 0.00 -ATOM 2138 H1 H2O 1 43 19.753 23.007 23.245 0.00 0.00 -ATOM 2139 H2 H2O 1 43 19.122 21.551 23.631 0.00 0.00 -ATOM 2140 O1 H2O 2 44 28.677 5.785 19.628 0.00 0.00 -ATOM 2141 H1 H2O 2 44 29.075 6.608 20.035 0.00 0.00 -ATOM 2142 H2 H2O 2 44 27.710 5.945 19.431 0.00 0.00 -ATOM 2143 O1 H2O 3 45 4.464 19.058 23.298 0.00 0.00 -ATOM 2144 H1 H2O 3 45 3.680 19.495 22.857 0.00 0.00 -ATOM 2145 H2 H2O 3 45 4.286 18.079 23.400 0.00 0.00 -ATOM 2146 O1 H2O 4 46 20.254 27.596 19.851 0.00 0.00 -ATOM 2147 H1 H2O 4 46 20.780 28.038 19.124 0.00 0.00 -ATOM 2148 H2 H2O 4 46 19.321 27.955 19.853 0.00 0.00 -ATOM 2149 O1 H2O 5 47 29.119 20.571 22.887 0.00 0.00 -ATOM 2150 H1 H2O 5 47 28.919 20.669 21.912 0.00 0.00 -ATOM 2151 H2 H2O 5 47 28.285 20.313 23.374 0.00 0.00 -ATOM 2152 O1 H2O 6 48 5.518 7.240 22.869 0.00 0.00 -ATOM 2153 H1 H2O 6 48 5.893 7.987 22.321 0.00 0.00 -ATOM 2154 H2 H2O 6 48 6.206 6.930 23.525 0.00 0.00 -ATOM 2155 O1 H2O 7 49 24.995 19.698 19.745 0.00 0.00 -ATOM 2156 H1 H2O 7 49 24.339 19.185 20.299 0.00 0.00 -ATOM 2157 H2 H2O 7 49 24.715 20.657 19.701 0.00 0.00 -ATOM 2158 O1 H2O 8 50 12.506 26.894 23.088 0.00 0.00 -ATOM 2159 H1 H2O 8 50 12.933 27.001 22.190 0.00 0.00 -ATOM 2160 H2 H2O 8 50 12.223 27.790 23.432 0.00 0.00 -ATOM 2161 O1 H2O 9 51 13.650 7.150 22.654 0.00 0.00 -ATOM 2162 H1 H2O 9 51 13.699 7.805 21.900 0.00 0.00 -ATOM 2163 H2 H2O 9 51 12.735 7.174 23.057 0.00 0.00 -ATOM 2164 O1 H2O 0 52 26.581 19.620 23.742 0.00 0.00 -ATOM 2165 H1 H2O 0 52 25.870 20.206 23.352 0.00 0.00 -ATOM 2166 H2 H2O 0 52 26.796 19.929 24.669 0.00 0.00 -ATOM 2167 O1 H2O 1 53 18.597 19.749 23.661 0.00 0.00 -ATOM 2168 H1 H2O 1 53 19.314 19.060 23.560 0.00 0.00 -ATOM 2169 H2 H2O 1 53 17.769 19.439 23.194 0.00 0.00 -ATOM 2170 O1 H2O 2 54 0.409 8.796 23.781 0.00 0.00 -ATOM 2171 H1 H2O 2 54 1.186 9.403 23.951 0.00 0.00 -ATOM 2172 H2 H2O 2 54 -0.365 9.332 23.445 0.00 0.00 -ATOM 2173 O1 H2O 3 55 11.272 10.488 23.362 0.00 0.00 -ATOM 2174 H1 H2O 3 55 11.587 10.462 22.413 0.00 0.00 -ATOM 2175 H2 H2O 3 55 12.062 10.525 23.974 0.00 0.00 -ATOM 2176 O1 H2O 4 56 2.148 0.617 20.218 0.00 0.00 -ATOM 2177 H1 H2O 4 56 1.982 1.147 21.050 0.00 0.00 -ATOM 2178 H2 H2O 4 56 3.124 0.636 20.000 0.00 0.00 -ATOM 2179 O1 H2O 5 57 14.572 23.512 20.909 0.00 0.00 -ATOM 2180 H1 H2O 5 57 15.564 23.481 20.781 0.00 0.00 -ATOM 2181 H2 H2O 5 57 14.217 24.376 20.553 0.00 0.00 -ATOM 2182 O1 H2O 6 58 16.397 23.850 23.178 0.00 0.00 -ATOM 2183 H1 H2O 6 58 16.982 23.080 23.433 0.00 0.00 -ATOM 2184 H2 H2O 6 58 15.448 23.637 23.409 0.00 0.00 -ATOM 2185 O1 H2O 7 59 26.893 18.031 20.052 0.00 0.00 -ATOM 2186 H1 H2O 7 59 26.492 17.454 20.763 0.00 0.00 -ATOM 2187 H2 H2O 7 59 26.186 18.626 19.668 0.00 0.00 -ATOM 2188 O1 H2O 8 60 21.079 10.789 19.826 0.00 0.00 -ATOM 2189 H1 H2O 8 60 21.296 11.297 18.993 0.00 0.00 -ATOM 2190 H2 H2O 8 60 21.381 9.841 19.727 0.00 0.00 -ATOM 2191 O1 H2O 9 61 5.075 1.267 23.446 0.00 0.00 -ATOM 2192 H1 H2O 9 61 5.988 1.007 23.762 0.00 0.00 -ATOM 2193 H2 H2O 9 61 4.471 0.470 23.480 0.00 0.00 -ATOM 2194 O1 H2O 0 62 1.417 14.428 23.608 0.00 0.00 -ATOM 2195 H1 H2O 0 62 1.260 15.361 23.933 0.00 0.00 -ATOM 2196 H2 H2O 0 62 2.399 14.243 23.585 0.00 0.00 -ATOM 2197 O1 H2O 1 63 25.186 9.117 23.420 0.00 0.00 -ATOM 2198 H1 H2O 1 63 24.603 9.785 23.881 0.00 0.00 -ATOM 2199 H2 H2O 1 63 25.075 9.203 22.430 0.00 0.00 -ATOM 2200 O1 H2O 2 64 18.919 21.477 20.465 0.00 0.00 -ATOM 2201 H1 H2O 2 64 19.066 21.655 21.438 0.00 0.00 -ATOM 2202 H2 H2O 2 64 18.206 20.784 20.357 0.00 0.00 -ATOM 2203 O1 H2O 3 65 21.412 22.462 19.833 0.00 0.00 -ATOM 2204 H1 H2O 3 65 21.305 23.437 20.025 0.00 0.00 -ATOM 2205 H2 H2O 3 65 20.533 22.000 19.953 0.00 0.00 -ATOM 2206 O1 H2O 4 66 1.000 17.283 23.150 0.00 0.00 -ATOM 2207 H1 H2O 4 66 1.389 18.023 23.699 0.00 0.00 -ATOM 2208 H2 H2O 4 66 1.642 17.032 22.426 0.00 0.00 -ATOM 2209 O1 H2O 5 67 3.695 28.834 23.780 0.00 0.00 -ATOM 2210 H1 H2O 5 67 4.317 28.126 24.113 0.00 0.00 -ATOM 2211 H2 H2O 5 67 2.815 28.420 23.544 0.00 0.00 -ATOM 2212 O1 H2O 6 68 16.007 29.141 23.878 0.00 0.00 -ATOM 2213 H1 H2O 6 68 15.751 28.179 23.773 0.00 0.00 -ATOM 2214 H2 H2O 6 68 15.205 29.670 24.156 0.00 0.00 -ATOM 2215 O1 H2O 7 69 24.930 8.941 20.509 0.00 0.00 -ATOM 2216 H1 H2O 7 69 24.000 8.667 20.266 0.00 0.00 -ATOM 2217 H2 H2O 7 69 25.026 9.930 20.400 0.00 0.00 -ATOM 2218 O1 H2O 8 70 14.163 10.427 23.761 0.00 0.00 -ATOM 2219 H1 H2O 8 70 14.711 10.180 22.963 0.00 0.00 -ATOM 2220 H2 H2O 8 70 13.956 9.604 24.291 0.00 0.00 -ATOM 2221 O1 H2O 9 71 19.610 10.562 23.112 0.00 0.00 -ATOM 2222 H1 H2O 9 71 19.965 11.494 23.042 0.00 0.00 -ATOM 2223 H2 H2O 9 71 20.268 9.924 22.713 0.00 0.00 -ATOM 2224 O1 H2O 0 72 2.560 18.225 19.825 0.00 0.00 -ATOM 2225 H1 H2O 0 72 2.779 19.184 20.008 0.00 0.00 -ATOM 2226 H2 H2O 0 72 1.569 18.119 19.744 0.00 0.00 -ATOM 2227 O1 H2O 1 73 11.135 29.377 23.530 0.00 0.00 -ATOM 2228 H1 H2O 1 73 10.821 30.286 23.255 0.00 0.00 -ATOM 2229 H2 H2O 1 73 10.345 28.779 23.667 0.00 0.00 -ATOM 2230 O1 H2O 2 74 23.630 27.827 20.130 0.00 0.00 -ATOM 2231 H1 H2O 2 74 23.660 27.671 21.117 0.00 0.00 -ATOM 2232 H2 H2O 2 74 23.097 28.652 19.938 0.00 0.00 -ATOM 2233 O1 H2O 3 75 20.395 17.704 22.971 0.00 0.00 -ATOM 2234 H1 H2O 3 75 20.440 16.772 23.331 0.00 0.00 -ATOM 2235 H2 H2O 3 75 20.211 17.673 21.988 0.00 0.00 -ATOM 2236 O1 H2O 4 76 23.006 13.117 21.066 0.00 0.00 -ATOM 2237 H1 H2O 4 76 22.332 12.381 21.000 0.00 0.00 -ATOM 2238 H2 H2O 4 76 22.734 13.754 21.787 0.00 0.00 -ATOM 2239 O1 H2O 5 77 9.758 12.404 20.787 0.00 0.00 -ATOM 2240 H1 H2O 5 77 10.167 13.054 21.428 0.00 0.00 -ATOM 2241 H2 H2O 5 77 10.413 11.673 20.591 0.00 0.00 -ATOM 2242 O1 H2O 6 78 27.602 21.885 20.634 0.00 0.00 -ATOM 2243 H1 H2O 6 78 27.642 22.661 20.005 0.00 0.00 -ATOM 2244 H2 H2O 6 78 28.329 21.236 20.411 0.00 0.00 -ATOM 2245 O1 H2O 7 79 8.393 4.645 22.876 0.00 0.00 -ATOM 2246 H1 H2O 7 79 7.541 4.172 23.099 0.00 0.00 -ATOM 2247 H2 H2O 7 79 8.324 5.603 23.154 0.00 0.00 -ATOM 2248 O1 H2O 8 80 6.738 23.472 23.347 0.00 0.00 -ATOM 2249 H1 H2O 8 80 5.744 23.365 23.353 0.00 0.00 -ATOM 2250 H2 H2O 8 80 7.165 22.645 23.711 0.00 0.00 -ATOM 2251 O1 H2O 9 81 27.876 0.100 22.167 0.00 0.00 -ATOM 2252 H1 H2O 9 81 28.170 0.036 21.213 0.00 0.00 -ATOM 2253 H2 H2O 9 81 27.946 1.049 22.474 0.00 0.00 -ATOM 2254 O1 H2O 0 82 23.631 27.339 22.766 0.00 0.00 -ATOM 2255 H1 H2O 0 82 24.158 27.931 23.375 0.00 0.00 -ATOM 2256 H2 H2O 0 82 22.670 27.615 22.781 0.00 0.00 -ATOM 2257 O1 H2O 1 83 17.249 9.078 19.799 0.00 0.00 -ATOM 2258 H1 H2O 1 83 16.686 9.745 20.289 0.00 0.00 -ATOM 2259 H2 H2O 1 83 17.953 8.722 20.413 0.00 0.00 -ATOM 2260 O1 H2O 2 84 0.484 23.999 20.218 0.00 0.00 -ATOM 2261 H1 H2O 2 84 -0.378 24.397 19.903 0.00 0.00 -ATOM 2262 H2 H2O 2 84 0.318 23.458 21.043 0.00 0.00 -ATOM 2263 O1 H2O 3 85 27.960 2.720 20.196 0.00 0.00 -ATOM 2264 H1 H2O 3 85 27.634 3.528 19.704 0.00 0.00 -ATOM 2265 H2 H2O 3 85 28.908 2.863 20.480 0.00 0.00 -ATOM 2266 O1 H2O 4 86 9.995 2.507 19.853 0.00 0.00 -ATOM 2267 H1 H2O 4 86 10.065 3.505 19.843 0.00 0.00 -ATOM 2268 H2 H2O 4 86 9.570 2.194 19.003 0.00 0.00 -ATOM 2269 O1 H2O 5 87 29.119 29.444 19.646 0.00 0.00 -ATOM 2270 H1 H2O 5 87 28.762 28.530 19.455 0.00 0.00 -ATOM 2271 H2 H2O 5 87 30.117 29.431 19.589 0.00 0.00 -ATOM 2272 O1 H2O 6 88 18.915 14.904 22.828 0.00 0.00 -ATOM 2273 H1 H2O 6 88 19.435 15.161 22.014 0.00 0.00 -ATOM 2274 H2 H2O 6 88 17.974 15.230 22.740 0.00 0.00 -ATOM 2275 O1 H2O 7 89 22.613 15.513 20.019 0.00 0.00 -ATOM 2276 H1 H2O 7 89 21.701 15.607 19.619 0.00 0.00 -ATOM 2277 H2 H2O 7 89 22.792 14.550 20.219 0.00 0.00 -ATOM 2278 O1 H2O 8 90 6.746 12.612 20.532 0.00 0.00 -ATOM 2279 H1 H2O 8 90 6.175 11.880 20.162 0.00 0.00 -ATOM 2280 H2 H2O 8 90 7.707 12.338 20.492 0.00 0.00 -ATOM 2281 O1 H2O 9 91 7.455 20.350 20.443 0.00 0.00 -ATOM 2282 H1 H2O 9 91 7.779 19.455 20.139 0.00 0.00 -ATOM 2283 H2 H2O 9 91 6.539 20.258 20.834 0.00 0.00 -ATOM 2284 O1 H2O 0 92 0.302 14.716 19.736 0.00 0.00 -ATOM 2285 H1 H2O 0 92 -0.394 14.740 20.454 0.00 0.00 -ATOM 2286 H2 H2O 0 92 0.410 13.777 19.408 0.00 0.00 -ATOM 2287 O1 H2O 1 93 7.858 22.796 19.703 0.00 0.00 -ATOM 2288 H1 H2O 1 93 7.501 21.904 19.978 0.00 0.00 -ATOM 2289 H2 H2O 1 93 7.999 22.808 18.713 0.00 0.00 -ATOM 2290 O1 H2O 2 94 25.082 11.480 20.383 0.00 0.00 -ATOM 2291 H1 H2O 2 94 24.228 12.000 20.390 0.00 0.00 -ATOM 2292 H2 H2O 2 94 25.857 12.111 20.413 0.00 0.00 -ATOM 2293 O1 H2O 3 95 25.116 12.145 23.440 0.00 0.00 -ATOM 2294 H1 H2O 3 95 24.949 12.126 22.454 0.00 0.00 -ATOM 2295 H2 H2O 3 95 26.097 12.238 23.610 0.00 0.00 -ATOM 2296 O1 H2O 4 96 5.380 18.432 20.394 0.00 0.00 -ATOM 2297 H1 H2O 4 96 5.214 18.285 21.369 0.00 0.00 -ATOM 2298 H2 H2O 4 96 4.512 18.398 19.899 0.00 0.00 -ATOM 2299 O1 H2O 5 97 8.423 17.745 19.875 0.00 0.00 -ATOM 2300 H1 H2O 5 97 8.782 16.892 20.254 0.00 0.00 -ATOM 2301 H2 H2O 5 97 7.499 17.591 19.525 0.00 0.00 -ATOM 2302 O1 H2O 6 98 7.461 28.856 20.250 0.00 0.00 -ATOM 2303 H1 H2O 6 98 7.562 29.715 20.752 0.00 0.00 -ATOM 2304 H2 H2O 6 98 6.913 29.012 19.428 0.00 0.00 -ATOM 2305 O1 H2O 7 99 20.882 24.672 22.853 0.00 0.00 -ATOM 2306 H1 H2O 7 99 21.128 24.962 21.928 0.00 0.00 -ATOM 2307 H2 H2O 7 99 21.539 23.991 23.175 0.00 0.00 -ATOM 2308 O1 H2O 8 100 14.736 13.036 23.260 0.00 0.00 -ATOM 2309 H1 H2O 8 100 15.628 13.073 23.710 0.00 0.00 -ATOM 2310 H2 H2O 8 100 14.306 12.152 23.444 0.00 0.00 -ATOM 2311 O1 H2O 9 101 22.684 6.331 23.875 0.00 0.00 -ATOM 2312 H1 H2O 9 101 22.304 5.563 23.359 0.00 0.00 -ATOM 2313 H2 H2O 9 101 22.761 6.079 24.839 0.00 0.00 -ATOM 2314 O1 H2O 0 102 11.701 7.765 20.206 0.00 0.00 -ATOM 2315 H1 H2O 0 102 12.645 8.005 19.980 0.00 0.00 -ATOM 2316 H2 H2O 0 102 11.647 6.789 20.418 0.00 0.00 -ATOM 2317 O1 H2O 1 103 5.156 22.726 20.893 0.00 0.00 -ATOM 2318 H1 H2O 1 103 5.960 23.133 20.458 0.00 0.00 -ATOM 2319 H2 H2O 1 103 4.364 22.828 20.292 0.00 0.00 -ATOM 2320 O1 H2O 2 104 9.144 27.819 23.889 0.00 0.00 -ATOM 2321 H1 H2O 2 104 8.672 27.249 23.217 0.00 0.00 -ATOM 2322 H2 H2O 2 104 9.334 27.278 24.709 0.00 0.00 -ATOM 2323 O1 H2O 3 105 23.390 17.925 21.057 0.00 0.00 -ATOM 2324 H1 H2O 3 105 23.194 17.634 21.993 0.00 0.00 -ATOM 2325 H2 H2O 3 105 23.224 17.164 20.429 0.00 0.00 -ATOM 2326 O1 H2O 4 106 12.934 21.232 20.438 0.00 0.00 -ATOM 2327 H1 H2O 4 106 13.522 22.017 20.637 0.00 0.00 -ATOM 2328 H2 H2O 4 106 13.496 20.410 20.346 0.00 0.00 -ATOM 2329 O1 H2O 5 107 1.210 12.320 21.919 0.00 0.00 -ATOM 2330 H1 H2O 5 107 0.976 13.069 22.539 0.00 0.00 -ATOM 2331 H2 H2O 5 107 0.474 12.196 21.254 0.00 0.00 -ATOM 2332 O1 H2O 6 108 17.538 14.345 20.109 0.00 0.00 -ATOM 2333 H1 H2O 6 108 17.990 13.456 20.038 0.00 0.00 -ATOM 2334 H2 H2O 6 108 16.823 14.301 20.807 0.00 0.00 -ATOM 2335 O1 H2O 7 109 7.496 4.488 20.111 0.00 0.00 -ATOM 2336 H1 H2O 7 109 7.644 4.424 21.098 0.00 0.00 -ATOM 2337 H2 H2O 7 109 7.788 3.637 19.675 0.00 0.00 -ATOM 2338 O1 H2O 8 110 17.409 12.660 23.805 0.00 0.00 -ATOM 2339 H1 H2O 8 110 17.891 13.501 23.562 0.00 0.00 -ATOM 2340 H2 H2O 8 110 17.931 12.165 24.500 0.00 0.00 -ATOM 2341 O1 H2O 9 111 21.727 1.437 23.779 0.00 0.00 -ATOM 2342 H1 H2O 9 111 21.940 1.258 24.740 0.00 0.00 -ATOM 2343 H2 H2O 9 111 22.436 1.034 23.200 0.00 0.00 -ATOM 2344 O1 H2O 0 112 10.317 13.382 23.356 0.00 0.00 -ATOM 2345 H1 H2O 0 112 10.429 12.484 23.781 0.00 0.00 -ATOM 2346 H2 H2O 0 112 11.021 14.004 23.700 0.00 0.00 -ATOM 2347 O1 H2O 1 113 13.999 20.275 23.428 0.00 0.00 -ATOM 2348 H1 H2O 1 113 14.422 20.949 24.033 0.00 0.00 -ATOM 2349 H2 H2O 1 113 13.057 20.110 23.719 0.00 0.00 -ATOM 2350 O1 H2O 2 114 2.839 20.829 20.402 0.00 0.00 -ATOM 2351 H1 H2O 2 114 2.611 20.970 21.365 0.00 0.00 -ATOM 2352 H2 H2O 2 114 3.128 21.697 19.997 0.00 0.00 -ATOM 2353 O1 H2O 3 115 14.300 11.461 20.571 0.00 0.00 -ATOM 2354 H1 H2O 3 115 14.053 12.423 20.448 0.00 0.00 -ATOM 2355 H2 H2O 3 115 15.200 11.401 21.003 0.00 0.00 -ATOM 2356 O1 H2O 4 116 19.497 8.103 20.956 0.00 0.00 -ATOM 2357 H1 H2O 4 116 19.365 7.123 20.812 0.00 0.00 -ATOM 2358 H2 H2O 4 116 20.111 8.247 21.732 0.00 0.00 -ATOM 2359 O1 H2O 5 117 2.338 20.774 23.052 0.00 0.00 -ATOM 2360 H1 H2O 5 117 2.845 21.478 23.549 0.00 0.00 -ATOM 2361 H2 H2O 5 117 1.363 20.995 23.063 0.00 0.00 -ATOM 2362 O1 H2O 6 118 11.138 7.289 23.713 0.00 0.00 -ATOM 2363 H1 H2O 6 118 10.273 6.926 23.366 0.00 0.00 -ATOM 2364 H2 H2O 6 118 10.961 8.106 24.261 0.00 0.00 -ATOM 2365 O1 H2O 7 119 16.855 5.837 23.439 0.00 0.00 -ATOM 2366 H1 H2O 7 119 17.180 6.735 23.733 0.00 0.00 -ATOM 2367 H2 H2O 7 119 17.638 5.243 23.253 0.00 0.00 -ATOM 2368 O1 H2O 8 120 8.261 7.378 23.018 0.00 0.00 -ATOM 2369 H1 H2O 8 120 8.278 8.281 23.448 0.00 0.00 -ATOM 2370 H2 H2O 8 120 8.116 7.479 22.034 0.00 0.00 -ATOM 2371 O1 H2O 9 121 5.701 15.104 20.169 0.00 0.00 -ATOM 2372 H1 H2O 9 121 6.030 14.200 20.444 0.00 0.00 -ATOM 2373 H2 H2O 9 121 4.719 15.060 19.987 0.00 0.00 -ATOM 2374 O1 H2O 0 122 18.575 28.268 23.571 0.00 0.00 -ATOM 2375 H1 H2O 0 122 17.681 28.630 23.838 0.00 0.00 -ATOM 2376 H2 H2O 0 122 18.469 27.329 23.243 0.00 0.00 -ATOM 2377 O1 H2O 1 123 20.583 13.040 23.612 0.00 0.00 -ATOM 2378 H1 H2O 1 123 19.886 13.681 23.291 0.00 0.00 -ATOM 2379 H2 H2O 1 123 21.460 13.513 23.690 0.00 0.00 -ATOM 2380 O1 H2O 2 124 13.552 3.148 20.060 0.00 0.00 -ATOM 2381 H1 H2O 2 124 13.261 2.444 19.412 0.00 0.00 -ATOM 2382 H2 H2O 2 124 13.752 3.994 19.566 0.00 0.00 -ATOM 2383 O1 H2O 3 125 21.641 20.082 22.192 0.00 0.00 -ATOM 2384 H1 H2O 3 125 21.242 19.268 22.615 0.00 0.00 -ATOM 2385 H2 H2O 3 125 22.336 19.806 21.529 0.00 0.00 -ATOM 2386 O1 H2O 4 126 26.021 17.044 22.861 0.00 0.00 -ATOM 2387 H1 H2O 4 126 26.306 17.952 23.169 0.00 0.00 -ATOM 2388 H2 H2O 4 126 25.023 17.006 22.814 0.00 0.00 -ATOM 2389 O1 H2O 5 127 16.902 25.946 20.727 0.00 0.00 -ATOM 2390 H1 H2O 5 127 17.534 26.102 21.486 0.00 0.00 -ATOM 2391 H2 H2O 5 127 17.168 25.115 20.238 0.00 0.00 -ATOM 2392 O1 H2O 6 128 5.041 10.856 19.822 0.00 0.00 -ATOM 2393 H1 H2O 6 128 4.753 9.927 19.590 0.00 0.00 -ATOM 2394 H2 H2O 6 128 4.244 11.392 20.101 0.00 0.00 -ATOM 2395 O1 H2O 7 129 13.561 0.727 23.658 0.00 0.00 -ATOM 2396 H1 H2O 7 129 12.847 0.036 23.545 0.00 0.00 -ATOM 2397 H2 H2O 7 129 13.264 1.584 23.236 0.00 0.00 -ATOM 2398 O1 H2O 8 130 6.617 9.304 21.332 0.00 0.00 -ATOM 2399 H1 H2O 8 130 6.131 10.143 21.089 0.00 0.00 -ATOM 2400 H2 H2O 8 130 6.667 8.704 20.533 0.00 0.00 -ATOM 2401 O1 H2O 9 131 13.718 23.598 23.606 0.00 0.00 -ATOM 2402 H1 H2O 9 131 13.598 23.484 22.620 0.00 0.00 -ATOM 2403 H2 H2O 9 131 12.822 23.613 24.052 0.00 0.00 -ATOM 2404 O1 H2O 0 132 25.179 2.769 23.348 0.00 0.00 -ATOM 2405 H1 H2O 0 132 25.075 3.704 23.687 0.00 0.00 -ATOM 2406 H2 H2O 0 132 26.039 2.691 22.843 0.00 0.00 -ATOM 2407 O1 H2O 1 133 1.189 5.920 23.419 0.00 0.00 -ATOM 2408 H1 H2O 1 133 2.020 5.822 22.871 0.00 0.00 -ATOM 2409 H2 H2O 1 133 0.929 6.885 23.460 0.00 0.00 -ATOM 2410 O1 H2O 2 134 8.453 10.108 23.432 0.00 0.00 -ATOM 2411 H1 H2O 2 134 9.433 9.933 23.338 0.00 0.00 -ATOM 2412 H2 H2O 2 134 8.072 10.357 22.541 0.00 0.00 -ATOM 2413 O1 H2O 3 135 3.754 23.163 23.971 0.00 0.00 -ATOM 2414 H1 H2O 3 135 3.690 23.933 23.337 0.00 0.00 -ATOM 2415 H2 H2O 3 135 3.617 23.489 24.907 0.00 0.00 -ATOM 2416 O1 H2O 4 136 17.591 28.532 20.091 0.00 0.00 -ATOM 2417 H1 H2O 4 136 17.193 27.643 20.318 0.00 0.00 -ATOM 2418 H2 H2O 4 136 16.916 29.251 20.255 0.00 0.00 -ATOM 2419 O1 H2O 5 137 25.900 5.665 19.916 0.00 0.00 -ATOM 2420 H1 H2O 5 137 25.121 6.280 19.799 0.00 0.00 -ATOM 2421 H2 H2O 5 137 25.974 5.401 20.878 0.00 0.00 -ATOM 2422 O1 H2O 6 138 0.716 4.000 21.128 0.00 0.00 -ATOM 2423 H1 H2O 6 138 0.250 4.725 20.621 0.00 0.00 -ATOM 2424 H2 H2O 6 138 1.671 3.951 20.837 0.00 0.00 -ATOM 2425 O1 H2O 7 139 11.178 24.472 23.468 0.00 0.00 -ATOM 2426 H1 H2O 7 139 10.436 24.470 22.797 0.00 0.00 -ATOM 2427 H2 H2O 7 139 11.670 25.341 23.417 0.00 0.00 -ATOM 2428 O1 H2O 8 140 2.938 15.529 19.691 0.00 0.00 -ATOM 2429 H1 H2O 8 140 1.955 15.344 19.678 0.00 0.00 -ATOM 2430 H2 H2O 8 140 3.091 16.510 19.806 0.00 0.00 -ATOM 2431 O1 H2O 9 141 24.243 2.373 19.663 0.00 0.00 -ATOM 2432 H1 H2O 9 141 24.185 2.803 20.564 0.00 0.00 -ATOM 2433 H2 H2O 9 141 24.171 3.074 18.954 0.00 0.00 -ATOM 2434 O1 H2O 0 142 0.371 27.564 21.664 0.00 0.00 -ATOM 2435 H1 H2O 0 142 0.023 26.881 22.306 0.00 0.00 -ATOM 2436 H2 H2O 0 142 0.168 28.480 22.009 0.00 0.00 -ATOM 2437 O1 H2O 1 143 14.532 4.690 23.358 0.00 0.00 -ATOM 2438 H1 H2O 1 143 15.513 4.864 23.447 0.00 0.00 -ATOM 2439 H2 H2O 1 143 14.074 5.519 23.037 0.00 0.00 -ATOM 2440 O1 H2O 2 144 8.967 15.002 20.409 0.00 0.00 -ATOM 2441 H1 H2O 2 144 9.194 14.059 20.650 0.00 0.00 -ATOM 2442 H2 H2O 2 144 8.234 15.005 19.728 0.00 0.00 -ATOM 2443 O1 H2O 3 145 14.427 25.767 19.534 0.00 0.00 -ATOM 2444 H1 H2O 3 145 15.153 26.215 20.056 0.00 0.00 -ATOM 2445 H2 H2O 3 145 14.313 26.232 18.655 0.00 0.00 -ATOM 2446 O1 H2O 4 146 16.098 2.386 22.449 0.00 0.00 -ATOM 2447 H1 H2O 4 146 16.572 2.977 21.796 0.00 0.00 -ATOM 2448 H2 H2O 4 146 15.392 2.912 22.923 0.00 0.00 -ATOM 2449 O1 H2O 5 147 18.364 11.668 20.271 0.00 0.00 -ATOM 2450 H1 H2O 5 147 19.263 11.231 20.306 0.00 0.00 -ATOM 2451 H2 H2O 5 147 17.716 11.061 19.810 0.00 0.00 -ATOM 2452 O1 H2O 6 148 4.935 1.922 20.576 0.00 0.00 -ATOM 2453 H1 H2O 6 148 4.942 1.720 21.555 0.00 0.00 -ATOM 2454 H2 H2O 6 148 5.867 1.868 20.217 0.00 0.00 -ATOM 2455 O1 H2O 7 149 3.914 25.095 22.011 0.00 0.00 -ATOM 2456 H1 H2O 7 149 4.202 24.258 21.546 0.00 0.00 -ATOM 2457 H2 H2O 7 149 3.354 25.644 21.391 0.00 0.00 -ATOM 2458 O1 H2O 8 150 3.220 8.384 22.428 0.00 0.00 -ATOM 2459 H1 H2O 8 150 4.122 8.145 22.786 0.00 0.00 -ATOM 2460 H2 H2O 8 150 2.924 9.253 22.824 0.00 0.00 -ATOM 2461 O1 H2O 9 151 4.144 13.904 23.432 0.00 0.00 -ATOM 2462 H1 H2O 9 151 4.535 14.789 23.684 0.00 0.00 -ATOM 2463 H2 H2O 9 151 4.871 13.219 23.389 0.00 0.00 -ATOM 2464 O1 H2O 0 152 6.468 16.081 22.824 0.00 0.00 -ATOM 2465 H1 H2O 0 152 6.043 15.962 21.927 0.00 0.00 -ATOM 2466 H2 H2O 0 152 6.903 15.225 23.103 0.00 0.00 -ATOM 2467 O1 H2O 1 153 27.899 9.602 20.587 0.00 0.00 -ATOM 2468 H1 H2O 1 153 27.043 9.230 20.228 0.00 0.00 -ATOM 2469 H2 H2O 1 153 27.815 9.741 21.574 0.00 0.00 -ATOM 2470 O1 H2O 2 154 28.301 4.463 23.350 0.00 0.00 -ATOM 2471 H1 H2O 2 154 27.793 5.289 23.594 0.00 0.00 -ATOM 2472 H2 H2O 2 154 29.282 4.655 23.376 0.00 0.00 -ATOM 2473 O1 H2O 3 155 5.771 11.360 23.819 0.00 0.00 -ATOM 2474 H1 H2O 3 155 6.405 10.605 23.984 0.00 0.00 -ATOM 2475 H2 H2O 3 155 4.902 11.173 24.277 0.00 0.00 -ATOM 2476 O1 H2O 4 156 3.570 5.524 22.139 0.00 0.00 -ATOM 2477 H1 H2O 4 156 4.149 6.337 22.206 0.00 0.00 -ATOM 2478 H2 H2O 4 156 3.754 5.055 21.275 0.00 0.00 -ATOM 2479 O1 H2O 5 157 8.330 18.143 23.243 0.00 0.00 -ATOM 2480 H1 H2O 5 157 7.878 19.034 23.209 0.00 0.00 -ATOM 2481 H2 H2O 5 157 7.640 17.421 23.298 0.00 0.00 -ATOM 2482 O1 H2O 6 158 11.737 26.066 20.064 0.00 0.00 -ATOM 2483 H1 H2O 6 158 11.227 25.207 20.097 0.00 0.00 -ATOM 2484 H2 H2O 6 158 12.707 25.872 19.921 0.00 0.00 -ATOM 2485 O1 H2O 7 159 22.447 8.298 19.974 0.00 0.00 -ATOM 2486 H1 H2O 7 159 22.500 7.311 19.819 0.00 0.00 -ATOM 2487 H2 H2O 7 159 22.167 8.473 20.918 0.00 0.00 -ATOM 2488 O1 H2O 8 160 23.126 17.190 23.730 0.00 0.00 -ATOM 2489 H1 H2O 8 160 23.497 17.474 24.614 0.00 0.00 -ATOM 2490 H2 H2O 8 160 22.223 17.600 23.601 0.00 0.00 -ATOM 2491 O1 H2O 9 161 2.710 3.583 23.742 0.00 0.00 -ATOM 2492 H1 H2O 9 161 2.790 4.150 22.922 0.00 0.00 -ATOM 2493 H2 H2O 9 161 2.162 4.063 24.427 0.00 0.00 -ATOM 2494 O1 H2O 0 162 2.166 26.329 20.080 0.00 0.00 -ATOM 2495 H1 H2O 0 162 1.600 25.511 19.982 0.00 0.00 -ATOM 2496 H2 H2O 0 162 1.717 26.971 20.702 0.00 0.00 -ATOM 2497 O1 H2O 1 163 9.311 22.077 22.214 0.00 0.00 -ATOM 2498 H1 H2O 1 163 8.746 21.616 21.529 0.00 0.00 -ATOM 2499 H2 H2O 1 163 9.188 23.066 22.136 0.00 0.00 -ATOM 2500 O1 H2O 2 164 26.918 23.840 23.582 0.00 0.00 -ATOM 2501 H1 H2O 2 164 26.261 24.590 23.654 0.00 0.00 -ATOM 2502 H2 H2O 2 164 26.466 23.036 23.195 0.00 0.00 -ATOM 2503 O1 H2O 3 165 7.525 26.733 21.921 0.00 0.00 -ATOM 2504 H1 H2O 3 165 7.382 27.504 21.301 0.00 0.00 -ATOM 2505 H2 H2O 3 165 6.706 26.597 22.478 0.00 0.00 -ATOM 2506 O1 H2O 4 166 10.905 19.562 20.323 0.00 0.00 -ATOM 2507 H1 H2O 4 166 11.453 20.333 20.651 0.00 0.00 -ATOM 2508 H2 H2O 4 166 10.094 19.907 19.851 0.00 0.00 -ATOM 2509 O1 H2O 5 167 21.674 25.328 20.529 0.00 0.00 -ATOM 2510 H1 H2O 5 167 22.345 25.389 19.790 0.00 0.00 -ATOM 2511 H2 H2O 5 167 20.853 25.841 20.279 0.00 0.00 -ATOM 2512 O1 H2O 6 168 14.531 18.966 20.804 0.00 0.00 -ATOM 2513 H1 H2O 6 168 14.340 17.985 20.827 0.00 0.00 -ATOM 2514 H2 H2O 6 168 14.440 19.346 21.725 0.00 0.00 -ATOM 2515 O1 H2O 7 169 29.248 23.241 22.718 0.00 0.00 -ATOM 2516 H1 H2O 7 169 29.340 22.246 22.766 0.00 0.00 -ATOM 2517 H2 H2O 7 169 28.377 23.515 23.124 0.00 0.00 -ATOM 2518 O1 H2O 8 170 2.874 23.348 19.568 0.00 0.00 -ATOM 2519 H1 H2O 8 170 1.929 23.415 19.888 0.00 0.00 -ATOM 2520 H2 H2O 8 170 3.021 23.999 18.822 0.00 0.00 -ATOM 2521 O1 H2O 9 171 11.643 15.409 20.874 0.00 0.00 -ATOM 2522 H1 H2O 9 171 10.653 15.297 20.789 0.00 0.00 -ATOM 2523 H2 H2O 9 171 11.900 15.388 21.840 0.00 0.00 -ATOM 2524 O1 H2O 0 172 19.523 0.890 19.800 0.00 0.00 -ATOM 2525 H1 H2O 0 172 18.859 0.167 19.607 0.00 0.00 -ATOM 2526 H2 H2O 0 172 19.454 1.158 20.761 0.00 0.00 -ATOM 2527 O1 H2O 1 173 24.808 25.231 20.523 0.00 0.00 -ATOM 2528 H1 H2O 1 173 25.155 25.417 21.442 0.00 0.00 -ATOM 2529 H2 H2O 1 173 24.568 26.093 20.076 0.00 0.00 -ATOM 2530 O1 H2O 2 174 24.044 24.668 23.418 0.00 0.00 -ATOM 2531 H1 H2O 2 174 23.531 25.476 23.128 0.00 0.00 -ATOM 2532 H2 H2O 2 174 23.413 23.907 23.565 0.00 0.00 -ATOM 2533 O1 H2O 3 175 17.855 8.413 23.716 0.00 0.00 -ATOM 2534 H1 H2O 3 175 18.489 9.178 23.600 0.00 0.00 -ATOM 2535 H2 H2O 3 175 17.772 8.193 24.688 0.00 0.00 -ATOM 2536 O1 H2O 4 176 17.193 3.070 19.940 0.00 0.00 -ATOM 2537 H1 H2O 4 176 16.472 3.009 19.249 0.00 0.00 -ATOM 2538 H2 H2O 4 176 18.029 2.651 19.587 0.00 0.00 -ATOM 2539 O1 H2O 5 177 3.320 12.895 20.179 0.00 0.00 -ATOM 2540 H1 H2O 5 177 2.513 12.427 20.539 0.00 0.00 -ATOM 2541 H2 H2O 5 177 3.159 13.882 20.176 0.00 0.00 -ATOM 2542 O1 H2O 6 178 10.677 4.993 21.130 0.00 0.00 -ATOM 2543 H1 H2O 6 178 11.439 4.364 21.280 0.00 0.00 -ATOM 2544 H2 H2O 6 178 9.930 4.768 21.755 0.00 0.00 -ATOM 2545 O1 H2O 7 179 26.631 26.323 22.268 0.00 0.00 -ATOM 2546 H1 H2O 7 179 26.288 27.088 22.813 0.00 0.00 -ATOM 2547 H2 H2O 7 179 27.497 26.002 22.652 0.00 0.00 -ATOM 2548 O1 H2O 8 180 15.320 26.599 23.437 0.00 0.00 -ATOM 2549 H1 H2O 8 180 14.340 26.717 23.273 0.00 0.00 -ATOM 2550 H2 H2O 8 180 15.540 25.624 23.455 0.00 0.00 -ATOM 2551 O1 H2O 9 181 19.213 1.145 22.647 0.00 0.00 -ATOM 2552 H1 H2O 9 181 18.904 0.220 22.867 0.00 0.00 -ATOM 2553 H2 H2O 9 181 20.172 1.247 22.911 0.00 0.00 -ATOM 2554 O1 H2O 0 182 1.548 1.457 22.546 0.00 0.00 -ATOM 2555 H1 H2O 0 182 2.112 2.172 22.960 0.00 0.00 -ATOM 2556 H2 H2O 0 182 0.776 1.252 23.147 0.00 0.00 -ATOM 2557 O1 H2O 1 183 5.084 5.711 19.645 0.00 0.00 -ATOM 2558 H1 H2O 1 183 4.605 4.850 19.474 0.00 0.00 -ATOM 2559 H2 H2O 1 183 6.026 5.519 19.923 0.00 0.00 -ATOM 2560 O1 H2O 2 184 21.040 27.972 22.512 0.00 0.00 -ATOM 2561 H1 H2O 2 184 20.202 28.097 23.043 0.00 0.00 -ATOM 2562 H2 H2O 2 184 20.837 28.073 21.539 0.00 0.00 -ATOM 2563 O1 H2O 3 185 5.768 3.958 23.240 0.00 0.00 -ATOM 2564 H1 H2O 3 185 5.250 3.114 23.377 0.00 0.00 -ATOM 2565 H2 H2O 3 185 5.141 4.736 23.227 0.00 0.00 -ATOM 2566 O1 H2O 4 186 7.442 13.581 23.485 0.00 0.00 -ATOM 2567 H1 H2O 4 186 6.950 12.725 23.643 0.00 0.00 -ATOM 2568 H2 H2O 4 186 8.332 13.383 23.074 0.00 0.00 -ATOM 2569 O1 H2O 5 187 22.349 0.279 19.702 0.00 0.00 -ATOM 2570 H1 H2O 5 187 21.472 0.755 19.638 0.00 0.00 -ATOM 2571 H2 H2O 5 187 23.091 0.918 19.500 0.00 0.00 -ATOM 2572 O1 H2O 6 188 10.009 28.093 20.667 0.00 0.00 -ATOM 2573 H1 H2O 6 188 9.379 28.296 19.918 0.00 0.00 -ATOM 2574 H2 H2O 6 188 10.525 27.263 20.455 0.00 0.00 -ATOM 2575 O1 H2O 7 189 22.963 14.487 23.499 0.00 0.00 -ATOM 2576 H1 H2O 7 189 23.155 15.468 23.524 0.00 0.00 -ATOM 2577 H2 H2O 7 189 23.799 13.979 23.709 0.00 0.00 -ATOM 2578 O1 H2O 8 190 5.612 26.452 23.689 0.00 0.00 -ATOM 2579 H1 H2O 8 190 5.534 26.376 24.683 0.00 0.00 -ATOM 2580 H2 H2O 8 190 4.906 25.891 23.256 0.00 0.00 -ATOM 2581 O1 H2O 9 191 16.421 10.384 22.395 0.00 0.00 -ATOM 2582 H1 H2O 9 191 16.869 11.216 22.723 0.00 0.00 -ATOM 2583 H2 H2O 9 191 16.849 9.586 22.819 0.00 0.00 -ATOM 2584 O1 H2O 0 192 11.675 0.490 20.284 0.00 0.00 -ATOM 2585 H1 H2O 0 192 11.115 1.270 20.002 0.00 0.00 -ATOM 2586 H2 H2O 0 192 11.084 -0.294 20.472 0.00 0.00 -ATOM 2587 O1 H2O 1 193 25.519 21.613 22.244 0.00 0.00 -ATOM 2588 H1 H2O 1 193 26.380 21.533 21.741 0.00 0.00 -ATOM 2589 H2 H2O 1 193 24.821 22.011 21.650 0.00 0.00 -ATOM 2590 O1 H2O 2 194 14.259 8.569 20.133 0.00 0.00 -ATOM 2591 H1 H2O 2 194 14.206 9.534 19.876 0.00 0.00 -ATOM 2592 H2 H2O 2 194 15.189 8.234 19.982 0.00 0.00 -ATOM 2593 O1 H2O 3 195 6.998 20.491 23.621 0.00 0.00 -ATOM 2594 H1 H2O 3 195 7.175 20.455 24.604 0.00 0.00 -ATOM 2595 H2 H2O 3 195 6.128 20.040 23.422 0.00 0.00 -ATOM 2596 O1 H2O 4 196 21.585 4.209 22.871 0.00 0.00 -ATOM 2597 H1 H2O 4 196 21.756 4.176 21.887 0.00 0.00 -ATOM 2598 H2 H2O 4 196 21.567 3.279 23.238 0.00 0.00 -ATOM 2599 O1 H2O 5 197 26.961 13.341 20.659 0.00 0.00 -ATOM 2600 H1 H2O 5 197 26.890 14.287 20.343 0.00 0.00 -ATOM 2601 H2 H2O 5 197 27.725 12.891 20.197 0.00 0.00 -ATOM 2602 O1 H2O 6 198 19.634 15.956 20.326 0.00 0.00 -ATOM 2603 H1 H2O 6 198 19.472 16.866 19.945 0.00 0.00 -ATOM 2604 H2 H2O 6 198 18.840 15.375 20.150 0.00 0.00 -ATOM 2605 O1 H2O 7 199 26.120 28.451 23.712 0.00 0.00 -ATOM 2606 H1 H2O 7 199 25.976 28.839 24.622 0.00 0.00 -ATOM 2607 H2 H2O 7 199 26.944 28.848 23.307 0.00 0.00 -ATOM 2608 O1 H2O 8 200 7.656 0.670 23.721 0.00 0.00 -ATOM 2609 H1 H2O 8 200 8.231 1.323 24.215 0.00 0.00 -ATOM 2610 H2 H2O 8 200 7.926 -0.262 23.963 0.00 0.00 -ATOM 2611 O1 H2O 9 201 11.279 23.306 19.804 0.00 0.00 -ATOM 2612 H1 H2O 9 201 11.051 23.215 18.834 0.00 0.00 -ATOM 2613 H2 H2O 9 201 11.901 22.570 20.070 0.00 0.00 -ATOM 2614 O1 H2O 0 202 17.146 19.534 19.948 0.00 0.00 -ATOM 2615 H1 H2O 0 202 16.948 20.027 19.101 0.00 0.00 -ATOM 2616 H2 H2O 0 202 16.298 19.158 20.321 0.00 0.00 -ATOM 2617 O1 H2O 1 203 15.293 16.416 19.857 0.00 0.00 -ATOM 2618 H1 H2O 1 203 14.725 15.603 19.734 0.00 0.00 -ATOM 2619 H2 H2O 1 203 15.854 16.557 19.041 0.00 0.00 -ATOM 2620 O1 H2O 2 204 11.701 10.545 20.737 0.00 0.00 -ATOM 2621 H1 H2O 2 204 11.594 9.573 20.525 0.00 0.00 -ATOM 2622 H2 H2O 2 204 12.663 10.801 20.647 0.00 0.00 -ATOM 2623 O1 h2o 1 205 29.107 11.767 19.581 0.00 0.00 -ATOM 2624 H1 h2o 1 205 28.759 10.845 19.748 0.00 0.00 -ATOM 2625 H2 h2o 1 205 29.530 11.805 18.675 0.00 0.00 -ATOM 2626 O1 h2o 2 206 2.110 10.436 19.761 0.00 0.00 -ATOM 2627 H1 h2o 2 206 2.221 9.520 20.146 0.00 0.00 -ATOM 2628 H2 h2o 2 206 1.186 10.767 19.950 0.00 0.00 -ATOM 2629 O1 h2o 3 207 6.347 25.394 19.896 0.00 0.00 -ATOM 2630 H1 h2o 3 207 6.118 26.294 19.524 0.00 0.00 -ATOM 2631 H2 h2o 3 207 6.418 25.453 20.892 0.00 0.00 -ATOM 2632 O1 h2o 4 208 0.828 28.905 24.062 0.00 0.00 -ATOM 2633 H1 h2o 4 208 -0.147 28.697 24.150 0.00 0.00 -ATOM 2634 H2 h2o 4 208 1.240 28.959 24.972 0.00 0.00 -ATOM 2635 O1 h2o 5 209 15.812 5.966 20.599 0.00 0.00 -ATOM 2636 H1 h2o 5 209 16.168 5.665 21.484 0.00 0.00 -ATOM 2637 H2 h2o 5 209 15.088 6.640 20.742 0.00 0.00 -END -REMARK GOMC 7 6000000 -CRYST1 29.472 29.777 26.750 90.00 90.00 90.00 P 1 1 -ATOM 1 C1 TOP 1 1 15.350 15.597 10.050 0.00 1.00 -ATOM 2 C2 TOP 1 1 15.350 15.597 13.400 0.00 1.00 -ATOM 3 C3 TOP 1 1 15.350 15.597 16.750 0.00 1.00 -ATOM 4 C4 TOP 1 1 14.122 17.724 10.050 0.00 1.00 -ATOM 5 C5 TOP 1 1 14.122 17.724 13.400 0.00 1.00 -ATOM 6 C6 TOP 1 1 14.122 17.724 16.750 0.00 1.00 -ATOM 7 C7 TOP 1 1 12.894 19.851 10.050 0.00 1.00 -ATOM 8 C8 TOP 1 1 12.894 19.851 13.400 0.00 1.00 -ATOM 9 C9 TOP 1 1 12.894 19.851 16.750 0.00 1.00 -ATOM 10 CA TOP 1 1 11.666 21.978 10.050 0.00 1.00 -ATOM 11 CB TOP 1 1 11.666 21.978 13.400 0.00 1.00 -ATOM 12 CC TOP 1 1 11.666 21.978 16.750 0.00 1.00 -ATOM 13 CD TOP 1 1 10.438 24.105 10.050 0.00 1.00 -ATOM 14 CE TOP 1 1 10.438 24.105 13.400 0.00 1.00 -ATOM 15 CF TOP 1 1 10.438 24.105 16.750 0.00 1.00 -ATOM 16 CG TOP 1 1 9.210 26.232 10.050 0.00 1.00 -ATOM 17 CH TOP 1 1 9.210 26.232 13.400 0.00 1.00 -ATOM 18 CI TOP 1 1 9.210 26.232 16.750 0.00 1.00 -ATOM 19 CJ TOP 1 1 7.982 28.359 10.050 0.00 1.00 -ATOM 20 CK TOP 1 1 7.982 28.359 13.400 0.00 1.00 -ATOM 21 CL TOP 1 1 7.982 28.359 16.750 0.00 1.00 -ATOM 22 CM TOP 1 1 6.754 0.709 10.050 0.00 1.00 -ATOM 23 CN TOP 1 1 6.754 0.709 13.400 0.00 1.00 -ATOM 24 CO TOP 1 1 6.754 0.709 16.750 0.00 1.00 -ATOM 25 CP TOP 1 1 5.526 2.836 10.050 0.00 1.00 -ATOM 26 CQ TOP 1 1 5.526 2.836 13.400 0.00 1.00 -ATOM 27 CR TOP 1 1 5.526 2.836 16.750 0.00 1.00 -ATOM 28 CS TOP 1 1 4.298 4.963 10.050 0.00 1.00 -ATOM 29 CT TOP 1 1 4.298 4.963 13.400 0.00 1.00 -ATOM 30 CU TOP 1 1 4.298 4.963 16.750 0.00 1.00 -ATOM 31 CV TOP 1 1 3.070 7.090 10.050 0.00 1.00 -ATOM 32 CW TOP 1 1 3.070 7.090 13.400 0.00 1.00 -ATOM 33 CX TOP 1 1 3.070 7.090 16.750 0.00 1.00 -ATOM 34 CY TOP 1 1 1.842 9.217 10.050 0.00 1.00 -ATOM 35 CZ TOP 1 1 1.842 9.217 13.400 0.00 1.00 -ATOM 36 Ca TOP 1 1 1.842 9.217 16.750 0.00 1.00 -ATOM 37 Cb TOP 1 1 0.614 11.344 10.050 0.00 1.00 -ATOM 38 Cc TOP 1 1 0.614 11.344 13.400 0.00 1.00 -ATOM 39 Cd TOP 1 1 0.614 11.344 16.750 0.00 1.00 -ATOM 40 Ce TOP 1 1 28.858 13.471 10.050 0.00 1.00 -ATOM 41 Cf TOP 1 1 28.858 13.471 13.400 0.00 1.00 -ATOM 42 Cg TOP 1 1 28.858 13.471 16.750 0.00 1.00 -ATOM 43 Ch TOP 1 1 17.806 15.597 10.050 0.00 1.00 -ATOM 44 Ci TOP 1 1 17.806 15.597 13.400 0.00 1.00 -ATOM 45 Cj TOP 1 1 17.806 15.597 16.750 0.00 1.00 -ATOM 46 Ck TOP 1 1 16.578 17.724 10.050 0.00 1.00 -ATOM 47 Cl TOP 1 1 16.578 17.724 13.400 0.00 1.00 -ATOM 48 Cm TOP 1 1 16.578 17.724 16.750 0.00 1.00 -ATOM 49 Cn TOP 1 1 15.350 19.851 10.050 0.00 1.00 -ATOM 50 Co TOP 1 1 15.350 19.851 13.400 0.00 1.00 -ATOM 51 Cp TOP 1 1 15.350 19.851 16.750 0.00 1.00 -ATOM 52 Cq TOP 1 1 14.122 21.978 10.050 0.00 1.00 -ATOM 53 Cr TOP 1 1 14.122 21.978 13.400 0.00 1.00 -ATOM 54 Cs TOP 1 1 14.122 21.978 16.750 0.00 1.00 -ATOM 55 Ct TOP 1 1 12.894 24.105 10.050 0.00 1.00 -ATOM 56 Cu TOP 1 1 12.894 24.105 13.400 0.00 1.00 -ATOM 57 Cv TOP 1 1 12.894 24.105 16.750 0.00 1.00 -ATOM 58 Cw TOP 1 1 11.666 26.232 10.050 0.00 1.00 -ATOM 59 Cx TOP 1 1 11.666 26.232 13.400 0.00 1.00 -ATOM 60 Cy TOP 1 1 11.666 26.232 16.750 0.00 1.00 -ATOM 61 Cz TOP 1 1 10.438 28.359 10.050 0.00 1.00 -ATOM 62 C10 TOP 1 1 10.438 28.359 13.400 0.00 1.00 -ATOM 63 C11 TOP 1 1 10.438 28.359 16.750 0.00 1.00 -ATOM 64 C12 TOP 1 1 9.210 0.709 10.050 0.00 1.00 -ATOM 65 C13 TOP 1 1 9.210 0.709 13.400 0.00 1.00 -ATOM 66 C14 TOP 1 1 9.210 0.709 16.750 0.00 1.00 -ATOM 67 C15 TOP 1 1 7.982 2.836 10.050 0.00 1.00 -ATOM 68 C16 TOP 1 1 7.982 2.836 13.400 0.00 1.00 -ATOM 69 C17 TOP 1 1 7.982 2.836 16.750 0.00 1.00 -ATOM 70 C18 TOP 1 1 6.754 4.963 10.050 0.00 1.00 -ATOM 71 C19 TOP 1 1 6.754 4.963 13.400 0.00 1.00 -ATOM 72 C1A TOP 1 1 6.754 4.963 16.750 0.00 1.00 -ATOM 73 C1B TOP 1 1 5.526 7.090 10.050 0.00 1.00 -ATOM 74 C1C TOP 1 1 5.526 7.090 13.400 0.00 1.00 -ATOM 75 C1D TOP 1 1 5.526 7.090 16.750 0.00 1.00 -ATOM 76 C1E TOP 1 1 4.298 9.217 10.050 0.00 1.00 -ATOM 77 C1F TOP 1 1 4.298 9.217 13.400 0.00 1.00 -ATOM 78 C1G TOP 1 1 4.298 9.217 16.750 0.00 1.00 -ATOM 79 C1H TOP 1 1 3.070 11.344 10.050 0.00 1.00 -ATOM 80 C1I TOP 1 1 3.070 11.344 13.400 0.00 1.00 -ATOM 81 C1J TOP 1 1 3.070 11.344 16.750 0.00 1.00 -ATOM 82 C1K TOP 1 1 1.842 13.471 10.050 0.00 1.00 -ATOM 83 C1L TOP 1 1 1.842 13.471 13.400 0.00 1.00 -ATOM 84 C1M TOP 1 1 1.842 13.471 16.750 0.00 1.00 -ATOM 85 C1N TOP 1 1 20.262 15.597 10.050 0.00 1.00 -ATOM 86 C1O TOP 1 1 20.262 15.597 13.400 0.00 1.00 -ATOM 87 C1P TOP 1 1 20.262 15.597 16.750 0.00 1.00 -ATOM 88 C1Q TOP 1 1 19.034 17.724 10.050 0.00 1.00 -ATOM 89 C1R TOP 1 1 19.034 17.724 13.400 0.00 1.00 -ATOM 90 C1S TOP 1 1 19.034 17.724 16.750 0.00 1.00 -ATOM 91 C1T TOP 1 1 17.806 19.851 10.050 0.00 1.00 -ATOM 92 C1U TOP 1 1 17.806 19.851 13.400 0.00 1.00 -ATOM 93 C1V TOP 1 1 17.806 19.851 16.750 0.00 1.00 -ATOM 94 C1W TOP 1 1 16.578 21.978 10.050 0.00 1.00 -ATOM 95 C1X TOP 1 1 16.578 21.978 13.400 0.00 1.00 -ATOM 96 C1Y TOP 1 1 16.578 21.978 16.750 0.00 1.00 -ATOM 97 C1Z TOP 1 1 15.350 24.105 10.050 0.00 1.00 -ATOM 98 C1a TOP 1 1 15.350 24.105 13.400 0.00 1.00 -ATOM 99 C1b TOP 1 1 15.350 24.105 16.750 0.00 1.00 -ATOM 100 C1c TOP 1 1 14.122 26.232 10.050 0.00 1.00 -ATOM 101 C1d TOP 1 1 14.122 26.232 13.400 0.00 1.00 -ATOM 102 C1e TOP 1 1 14.122 26.232 16.750 0.00 1.00 -ATOM 103 C1f TOP 1 1 12.894 28.359 10.050 0.00 1.00 -ATOM 104 C1g TOP 1 1 12.894 28.359 13.400 0.00 1.00 -ATOM 105 C1h TOP 1 1 12.894 28.359 16.750 0.00 1.00 -ATOM 106 C1i TOP 1 1 11.666 0.709 10.050 0.00 1.00 -ATOM 107 C1j TOP 1 1 11.666 0.709 13.400 0.00 1.00 -ATOM 108 C1k TOP 1 1 11.666 0.709 16.750 0.00 1.00 -ATOM 109 C1l TOP 1 1 10.438 2.836 10.050 0.00 1.00 -ATOM 110 C1m TOP 1 1 10.438 2.836 13.400 0.00 1.00 -ATOM 111 C1n TOP 1 1 10.438 2.836 16.750 0.00 1.00 -ATOM 112 C1o TOP 1 1 9.210 4.963 10.050 0.00 1.00 -ATOM 113 C1p TOP 1 1 9.210 4.963 13.400 0.00 1.00 -ATOM 114 C1q TOP 1 1 9.210 4.963 16.750 0.00 1.00 -ATOM 115 C1r TOP 1 1 7.982 7.090 10.050 0.00 1.00 -ATOM 116 C1s TOP 1 1 7.982 7.090 13.400 0.00 1.00 -ATOM 117 C1t TOP 1 1 7.982 7.090 16.750 0.00 1.00 -ATOM 118 C1u TOP 1 1 6.754 9.217 10.050 0.00 1.00 -ATOM 119 C1v TOP 1 1 6.754 9.217 13.400 0.00 1.00 -ATOM 120 C1w TOP 1 1 6.754 9.217 16.750 0.00 1.00 -ATOM 121 C1x TOP 1 1 5.526 11.344 10.050 0.00 1.00 -ATOM 122 C1y TOP 1 1 5.526 11.344 13.400 0.00 1.00 -ATOM 123 C1z TOP 1 1 5.526 11.344 16.750 0.00 1.00 -ATOM 124 C20 TOP 1 1 4.298 13.471 10.050 0.00 1.00 -ATOM 125 C21 TOP 1 1 4.298 13.471 13.400 0.00 1.00 -ATOM 126 C22 TOP 1 1 4.298 13.471 16.750 0.00 1.00 -ATOM 127 C23 TOP 1 1 22.718 15.597 10.050 0.00 1.00 -ATOM 128 C24 TOP 1 1 22.718 15.597 13.400 0.00 1.00 -ATOM 129 C25 TOP 1 1 22.718 15.597 16.750 0.00 1.00 -ATOM 130 C26 TOP 1 1 21.490 17.724 10.050 0.00 1.00 -ATOM 131 C27 TOP 1 1 21.490 17.724 13.400 0.00 1.00 -ATOM 132 C28 TOP 1 1 21.490 17.724 16.750 0.00 1.00 -ATOM 133 C29 TOP 1 1 20.262 19.851 10.050 0.00 1.00 -ATOM 134 C2A TOP 1 1 20.262 19.851 13.400 0.00 1.00 -ATOM 135 C2B TOP 1 1 20.262 19.851 16.750 0.00 1.00 -ATOM 136 C2C TOP 1 1 19.034 21.978 10.050 0.00 1.00 -ATOM 137 C2D TOP 1 1 19.034 21.978 13.400 0.00 1.00 -ATOM 138 C2E TOP 1 1 19.034 21.978 16.750 0.00 1.00 -ATOM 139 C2F TOP 1 1 17.806 24.105 10.050 0.00 1.00 -ATOM 140 C2G TOP 1 1 17.806 24.105 13.400 0.00 1.00 -ATOM 141 C2H TOP 1 1 17.806 24.105 16.750 0.00 1.00 -ATOM 142 C2I TOP 1 1 16.578 26.232 10.050 0.00 1.00 -ATOM 143 C2J TOP 1 1 16.578 26.232 13.400 0.00 1.00 -ATOM 144 C2K TOP 1 1 16.578 26.232 16.750 0.00 1.00 -ATOM 145 C2L TOP 1 1 15.350 28.359 10.050 0.00 1.00 -ATOM 146 C2M TOP 1 1 15.350 28.359 13.400 0.00 1.00 -ATOM 147 C2N TOP 1 1 15.350 28.359 16.750 0.00 1.00 -ATOM 148 C2O TOP 1 1 14.122 0.709 10.050 0.00 1.00 -ATOM 149 C2P TOP 1 1 14.122 0.709 13.400 0.00 1.00 -ATOM 150 C2Q TOP 1 1 14.122 0.709 16.750 0.00 1.00 -ATOM 151 C2R TOP 1 1 12.894 2.836 10.050 0.00 1.00 -ATOM 152 C2S TOP 1 1 12.894 2.836 13.400 0.00 1.00 -ATOM 153 C2T TOP 1 1 12.894 2.836 16.750 0.00 1.00 -ATOM 154 C2U TOP 1 1 11.666 4.963 10.050 0.00 1.00 -ATOM 155 C2V TOP 1 1 11.666 4.963 13.400 0.00 1.00 -ATOM 156 C2W TOP 1 1 11.666 4.963 16.750 0.00 1.00 -ATOM 157 C2X TOP 1 1 10.438 7.090 10.050 0.00 1.00 -ATOM 158 C2Y TOP 1 1 10.438 7.090 13.400 0.00 1.00 -ATOM 159 C2Z TOP 1 1 10.438 7.090 16.750 0.00 1.00 -ATOM 160 C2a TOP 1 1 9.210 9.217 10.050 0.00 1.00 -ATOM 161 C2b TOP 1 1 9.210 9.217 13.400 0.00 1.00 -ATOM 162 C2c TOP 1 1 9.210 9.217 16.750 0.00 1.00 -ATOM 163 C2d TOP 1 1 7.982 11.344 10.050 0.00 1.00 -ATOM 164 C2e TOP 1 1 7.982 11.344 13.400 0.00 1.00 -ATOM 165 C2f TOP 1 1 7.982 11.344 16.750 0.00 1.00 -ATOM 166 C2g TOP 1 1 6.754 13.471 10.050 0.00 1.00 -ATOM 167 C2h TOP 1 1 6.754 13.471 13.400 0.00 1.00 -ATOM 168 C2i TOP 1 1 6.754 13.471 16.750 0.00 1.00 -ATOM 169 C2j TOP 1 1 25.174 15.597 10.050 0.00 1.00 -ATOM 170 C2k TOP 1 1 25.174 15.597 13.400 0.00 1.00 -ATOM 171 C2l TOP 1 1 25.174 15.597 16.750 0.00 1.00 -ATOM 172 C2m TOP 1 1 23.946 17.724 10.050 0.00 1.00 -ATOM 173 C2n TOP 1 1 23.946 17.724 13.400 0.00 1.00 -ATOM 174 C2o TOP 1 1 23.946 17.724 16.750 0.00 1.00 -ATOM 175 C2p TOP 1 1 22.718 19.851 10.050 0.00 1.00 -ATOM 176 C2q TOP 1 1 22.718 19.851 13.400 0.00 1.00 -ATOM 177 C2r TOP 1 1 22.718 19.851 16.750 0.00 1.00 -ATOM 178 C2s TOP 1 1 21.490 21.978 10.050 0.00 1.00 -ATOM 179 C2t TOP 1 1 21.490 21.978 13.400 0.00 1.00 -ATOM 180 C2u TOP 1 1 21.490 21.978 16.750 0.00 1.00 -ATOM 181 C2v TOP 1 1 20.262 24.105 10.050 0.00 1.00 -ATOM 182 C2w TOP 1 1 20.262 24.105 13.400 0.00 1.00 -ATOM 183 C2x TOP 1 1 20.262 24.105 16.750 0.00 1.00 -ATOM 184 C2y TOP 1 1 19.034 26.232 10.050 0.00 1.00 -ATOM 185 C2z TOP 1 1 19.034 26.232 13.400 0.00 1.00 -ATOM 186 C30 TOP 1 1 19.034 26.232 16.750 0.00 1.00 -ATOM 187 C31 TOP 1 1 17.806 28.359 10.050 0.00 1.00 -ATOM 188 C32 TOP 1 1 17.806 28.359 13.400 0.00 1.00 -ATOM 189 C33 TOP 1 1 17.806 28.359 16.750 0.00 1.00 -ATOM 190 C34 TOP 1 1 16.578 0.709 10.050 0.00 1.00 -ATOM 191 C35 TOP 1 1 16.578 0.709 13.400 0.00 1.00 -ATOM 192 C36 TOP 1 1 16.578 0.709 16.750 0.00 1.00 -ATOM 193 C37 TOP 1 1 15.350 2.836 10.050 0.00 1.00 -ATOM 194 C38 TOP 1 1 15.350 2.836 13.400 0.00 1.00 -ATOM 195 C39 TOP 1 1 15.350 2.836 16.750 0.00 1.00 -ATOM 196 C3A TOP 1 1 14.122 4.963 10.050 0.00 1.00 -ATOM 197 C3B TOP 1 1 14.122 4.963 13.400 0.00 1.00 -ATOM 198 C3C TOP 1 1 14.122 4.963 16.750 0.00 1.00 -ATOM 199 C3D TOP 1 1 12.894 7.090 10.050 0.00 1.00 -ATOM 200 C3E TOP 1 1 12.894 7.090 13.400 0.00 1.00 -ATOM 201 C3F TOP 1 1 12.894 7.090 16.750 0.00 1.00 -ATOM 202 C3G TOP 1 1 11.666 9.217 10.050 0.00 1.00 -ATOM 203 C3H TOP 1 1 11.666 9.217 13.400 0.00 1.00 -ATOM 204 C3I TOP 1 1 11.666 9.217 16.750 0.00 1.00 -ATOM 205 C3J TOP 1 1 10.438 11.344 10.050 0.00 1.00 -ATOM 206 C3K TOP 1 1 10.438 11.344 13.400 0.00 1.00 -ATOM 207 C3L TOP 1 1 10.438 11.344 16.750 0.00 1.00 -ATOM 208 C3M TOP 1 1 9.210 13.471 10.050 0.00 1.00 -ATOM 209 C3N TOP 1 1 9.210 13.471 13.400 0.00 1.00 -ATOM 210 C3O TOP 1 1 9.210 13.471 16.750 0.00 1.00 -ATOM 211 C3P TOP 1 1 27.630 15.597 10.050 0.00 1.00 -ATOM 212 C3Q TOP 1 1 27.630 15.597 13.400 0.00 1.00 -ATOM 213 C3R TOP 1 1 27.630 15.597 16.750 0.00 1.00 -ATOM 214 C3S TOP 1 1 26.402 17.724 10.050 0.00 1.00 -ATOM 215 C3T TOP 1 1 26.402 17.724 13.400 0.00 1.00 -ATOM 216 C3U TOP 1 1 26.402 17.724 16.750 0.00 1.00 -ATOM 217 C3V TOP 1 1 25.174 19.851 10.050 0.00 1.00 -ATOM 218 C3W TOP 1 1 25.174 19.851 13.400 0.00 1.00 -ATOM 219 C3X TOP 1 1 25.174 19.851 16.750 0.00 1.00 -ATOM 220 C3Y TOP 1 1 23.946 21.978 10.050 0.00 1.00 -ATOM 221 C3Z TOP 1 1 23.946 21.978 13.400 0.00 1.00 -ATOM 222 C3a TOP 1 1 23.946 21.978 16.750 0.00 1.00 -ATOM 223 C3b TOP 1 1 22.718 24.105 10.050 0.00 1.00 -ATOM 224 C3c TOP 1 1 22.718 24.105 13.400 0.00 1.00 -ATOM 225 C3d TOP 1 1 22.718 24.105 16.750 0.00 1.00 -ATOM 226 C3e TOP 1 1 21.490 26.232 10.050 0.00 1.00 -ATOM 227 C3f TOP 1 1 21.490 26.232 13.400 0.00 1.00 -ATOM 228 C3g TOP 1 1 21.490 26.232 16.750 0.00 1.00 -ATOM 229 C3h TOP 1 1 20.262 28.359 10.050 0.00 1.00 -ATOM 230 C3i TOP 1 1 20.262 28.359 13.400 0.00 1.00 -ATOM 231 C3j TOP 1 1 20.262 28.359 16.750 0.00 1.00 -ATOM 232 C3k TOP 1 1 19.034 0.709 10.050 0.00 1.00 -ATOM 233 C3l TOP 1 1 19.034 0.709 13.400 0.00 1.00 -ATOM 234 C3m TOP 1 1 19.034 0.709 16.750 0.00 1.00 -ATOM 235 C3n TOP 1 1 17.806 2.836 10.050 0.00 1.00 -ATOM 236 C3o TOP 1 1 17.806 2.836 13.400 0.00 1.00 -ATOM 237 C3p TOP 1 1 17.806 2.836 16.750 0.00 1.00 -ATOM 238 C3q TOP 1 1 16.578 4.963 10.050 0.00 1.00 -ATOM 239 C3r TOP 1 1 16.578 4.963 13.400 0.00 1.00 -ATOM 240 C3s TOP 1 1 16.578 4.963 16.750 0.00 1.00 -ATOM 241 C3t TOP 1 1 15.350 7.090 10.050 0.00 1.00 -ATOM 242 C3u TOP 1 1 15.350 7.090 13.400 0.00 1.00 -ATOM 243 C3v TOP 1 1 15.350 7.090 16.750 0.00 1.00 -ATOM 244 C3w TOP 1 1 14.122 9.217 10.050 0.00 1.00 -ATOM 245 C3x TOP 1 1 14.122 9.217 13.400 0.00 1.00 -ATOM 246 C3y TOP 1 1 14.122 9.217 16.750 0.00 1.00 -ATOM 247 C3z TOP 1 1 12.894 11.344 10.050 0.00 1.00 -ATOM 248 C40 TOP 1 1 12.894 11.344 13.400 0.00 1.00 -ATOM 249 C41 TOP 1 1 12.894 11.344 16.750 0.00 1.00 -ATOM 250 C42 TOP 1 1 11.666 13.471 10.050 0.00 1.00 -ATOM 251 C43 TOP 1 1 11.666 13.471 13.400 0.00 1.00 -ATOM 252 C44 TOP 1 1 11.666 13.471 16.750 0.00 1.00 -ATOM 253 C45 TOP 1 1 0.614 15.597 10.050 0.00 1.00 -ATOM 254 C46 TOP 1 1 0.614 15.597 13.400 0.00 1.00 -ATOM 255 C47 TOP 1 1 0.614 15.597 16.750 0.00 1.00 -ATOM 256 C48 TOP 1 1 28.858 17.724 10.050 0.00 1.00 -ATOM 257 C49 TOP 1 1 28.858 17.724 13.400 0.00 1.00 -ATOM 258 C4A TOP 1 1 28.858 17.724 16.750 0.00 1.00 -ATOM 259 C4B TOP 1 1 27.630 19.851 10.050 0.00 1.00 -ATOM 260 C4C TOP 1 1 27.630 19.851 13.400 0.00 1.00 -ATOM 261 C4D TOP 1 1 27.630 19.851 16.750 0.00 1.00 -ATOM 262 C4E TOP 1 1 26.402 21.978 10.050 0.00 1.00 -ATOM 263 C4F TOP 1 1 26.402 21.978 13.400 0.00 1.00 -ATOM 264 C4G TOP 1 1 26.402 21.978 16.750 0.00 1.00 -ATOM 265 C4H TOP 1 1 25.174 24.105 10.050 0.00 1.00 -ATOM 266 C4I TOP 1 1 25.174 24.105 13.400 0.00 1.00 -ATOM 267 C4J TOP 1 1 25.174 24.105 16.750 0.00 1.00 -ATOM 268 C4K TOP 1 1 23.946 26.232 10.050 0.00 1.00 -ATOM 269 C4L TOP 1 1 23.946 26.232 13.400 0.00 1.00 -ATOM 270 C4M TOP 1 1 23.946 26.232 16.750 0.00 1.00 -ATOM 271 C4N TOP 1 1 22.718 28.359 10.050 0.00 1.00 -ATOM 272 C4O TOP 1 1 22.718 28.359 13.400 0.00 1.00 -ATOM 273 C4P TOP 1 1 22.718 28.359 16.750 0.00 1.00 -ATOM 274 C4Q TOP 1 1 21.490 0.709 10.050 0.00 1.00 -ATOM 275 C4R TOP 1 1 21.490 0.709 13.400 0.00 1.00 -ATOM 276 C4S TOP 1 1 21.490 0.709 16.750 0.00 1.00 -ATOM 277 C4T TOP 1 1 20.262 2.836 10.050 0.00 1.00 -ATOM 278 C4U TOP 1 1 20.262 2.836 13.400 0.00 1.00 -ATOM 279 C4V TOP 1 1 20.262 2.836 16.750 0.00 1.00 -ATOM 280 C4W TOP 1 1 19.034 4.963 10.050 0.00 1.00 -ATOM 281 C4X TOP 1 1 19.034 4.963 13.400 0.00 1.00 -ATOM 282 C4Y TOP 1 1 19.034 4.963 16.750 0.00 1.00 -ATOM 283 C4Z TOP 1 1 17.806 7.090 10.050 0.00 1.00 -ATOM 284 C4a TOP 1 1 17.806 7.090 13.400 0.00 1.00 -ATOM 285 C4b TOP 1 1 17.806 7.090 16.750 0.00 1.00 -ATOM 286 C4c TOP 1 1 16.578 9.217 10.050 0.00 1.00 -ATOM 287 C4d TOP 1 1 16.578 9.217 13.400 0.00 1.00 -ATOM 288 C4e TOP 1 1 16.578 9.217 16.750 0.00 1.00 -ATOM 289 C4f TOP 1 1 15.350 11.344 10.050 0.00 1.00 -ATOM 290 C4g TOP 1 1 15.350 11.344 13.400 0.00 1.00 -ATOM 291 C4h TOP 1 1 15.350 11.344 16.750 0.00 1.00 -ATOM 292 C4i TOP 1 1 14.122 13.471 10.050 0.00 1.00 -ATOM 293 C4j TOP 1 1 14.122 13.471 13.400 0.00 1.00 -ATOM 294 C4k TOP 1 1 14.122 13.471 16.750 0.00 1.00 -ATOM 295 C4l TOP 1 1 3.070 15.597 10.050 0.00 1.00 -ATOM 296 C4m TOP 1 1 3.070 15.597 13.400 0.00 1.00 -ATOM 297 C4n TOP 1 1 3.070 15.597 16.750 0.00 1.00 -ATOM 298 C4o TOP 1 1 1.842 17.724 10.050 0.00 1.00 -ATOM 299 C4p TOP 1 1 1.842 17.724 13.400 0.00 1.00 -ATOM 300 C4q TOP 1 1 1.842 17.724 16.750 0.00 1.00 -ATOM 301 C4r TOP 1 1 0.614 19.851 10.050 0.00 1.00 -ATOM 302 C4s TOP 1 1 0.614 19.851 13.400 0.00 1.00 -ATOM 303 C4t TOP 1 1 0.614 19.851 16.750 0.00 1.00 -ATOM 304 C4u TOP 1 1 28.858 21.978 10.050 0.00 1.00 -ATOM 305 C4v TOP 1 1 28.858 21.978 13.400 0.00 1.00 -ATOM 306 C4w TOP 1 1 28.858 21.978 16.750 0.00 1.00 -ATOM 307 C4x TOP 1 1 27.630 24.105 10.050 0.00 1.00 -ATOM 308 C4y TOP 1 1 27.630 24.105 13.400 0.00 1.00 -ATOM 309 C4z TOP 1 1 27.630 24.105 16.750 0.00 1.00 -ATOM 310 C50 TOP 1 1 26.402 26.232 10.050 0.00 1.00 -ATOM 311 C51 TOP 1 1 26.402 26.232 13.400 0.00 1.00 -ATOM 312 C52 TOP 1 1 26.402 26.232 16.750 0.00 1.00 -ATOM 313 C53 TOP 1 1 25.174 28.359 10.050 0.00 1.00 -ATOM 314 C54 TOP 1 1 25.174 28.359 13.400 0.00 1.00 -ATOM 315 C55 TOP 1 1 25.174 28.359 16.750 0.00 1.00 -ATOM 316 C56 TOP 1 1 23.946 0.709 10.050 0.00 1.00 -ATOM 317 C57 TOP 1 1 23.946 0.709 13.400 0.00 1.00 -ATOM 318 C58 TOP 1 1 23.946 0.709 16.750 0.00 1.00 -ATOM 319 C59 TOP 1 1 22.718 2.836 10.050 0.00 1.00 -ATOM 320 C5A TOP 1 1 22.718 2.836 13.400 0.00 1.00 -ATOM 321 C5B TOP 1 1 22.718 2.836 16.750 0.00 1.00 -ATOM 322 C5C TOP 1 1 21.490 4.963 10.050 0.00 1.00 -ATOM 323 C5D TOP 1 1 21.490 4.963 13.400 0.00 1.00 -ATOM 324 C5E TOP 1 1 21.490 4.963 16.750 0.00 1.00 -ATOM 325 C5F TOP 1 1 20.262 7.090 10.050 0.00 1.00 -ATOM 326 C5G TOP 1 1 20.262 7.090 13.400 0.00 1.00 -ATOM 327 C5H TOP 1 1 20.262 7.090 16.750 0.00 1.00 -ATOM 328 C5I TOP 1 1 19.034 9.217 10.050 0.00 1.00 -ATOM 329 C5J TOP 1 1 19.034 9.217 13.400 0.00 1.00 -ATOM 330 C5K TOP 1 1 19.034 9.217 16.750 0.00 1.00 -ATOM 331 C5L TOP 1 1 17.806 11.344 10.050 0.00 1.00 -ATOM 332 C5M TOP 1 1 17.806 11.344 13.400 0.00 1.00 -ATOM 333 C5N TOP 1 1 17.806 11.344 16.750 0.00 1.00 -ATOM 334 C5O TOP 1 1 16.578 13.471 10.050 0.00 1.00 -ATOM 335 C5P TOP 1 1 16.578 13.471 13.400 0.00 1.00 -ATOM 336 C5Q TOP 1 1 16.578 13.471 16.750 0.00 1.00 -ATOM 337 C5R TOP 1 1 5.526 15.597 10.050 0.00 1.00 -ATOM 338 C5S TOP 1 1 5.526 15.597 13.400 0.00 1.00 -ATOM 339 C5T TOP 1 1 5.526 15.597 16.750 0.00 1.00 -ATOM 340 C5U TOP 1 1 4.298 17.724 10.050 0.00 1.00 -ATOM 341 C5V TOP 1 1 4.298 17.724 13.400 0.00 1.00 -ATOM 342 C5W TOP 1 1 4.298 17.724 16.750 0.00 1.00 -ATOM 343 C5X TOP 1 1 3.070 19.851 10.050 0.00 1.00 -ATOM 344 C5Y TOP 1 1 3.070 19.851 13.400 0.00 1.00 -ATOM 345 C5Z TOP 1 1 3.070 19.851 16.750 0.00 1.00 -ATOM 346 C5a TOP 1 1 1.842 21.978 10.050 0.00 1.00 -ATOM 347 C5b TOP 1 1 1.842 21.978 13.400 0.00 1.00 -ATOM 348 C5c TOP 1 1 1.842 21.978 16.750 0.00 1.00 -ATOM 349 C5d TOP 1 1 0.614 24.105 10.050 0.00 1.00 -ATOM 350 C5e TOP 1 1 0.614 24.105 13.400 0.00 1.00 -ATOM 351 C5f TOP 1 1 0.614 24.105 16.750 0.00 1.00 -ATOM 352 C5g TOP 1 1 28.858 26.232 10.050 0.00 1.00 -ATOM 353 C5h TOP 1 1 28.858 26.232 13.400 0.00 1.00 -ATOM 354 C5i TOP 1 1 28.858 26.232 16.750 0.00 1.00 -ATOM 355 C5j TOP 1 1 27.630 28.359 10.050 0.00 1.00 -ATOM 356 C5k TOP 1 1 27.630 28.359 13.400 0.00 1.00 -ATOM 357 C5l TOP 1 1 27.630 28.359 16.750 0.00 1.00 -ATOM 358 C5m TOP 1 1 26.402 0.709 10.050 0.00 1.00 -ATOM 359 C5n TOP 1 1 26.402 0.709 13.400 0.00 1.00 -ATOM 360 C5o TOP 1 1 26.402 0.709 16.750 0.00 1.00 -ATOM 361 C5p TOP 1 1 25.174 2.836 10.050 0.00 1.00 -ATOM 362 C5q TOP 1 1 25.174 2.836 13.400 0.00 1.00 -ATOM 363 C5r TOP 1 1 25.174 2.836 16.750 0.00 1.00 -ATOM 364 C5s TOP 1 1 23.946 4.963 10.050 0.00 1.00 -ATOM 365 C5t TOP 1 1 23.946 4.963 13.400 0.00 1.00 -ATOM 366 C5u TOP 1 1 23.946 4.963 16.750 0.00 1.00 -ATOM 367 C5v TOP 1 1 22.718 7.090 10.050 0.00 1.00 -ATOM 368 C5w TOP 1 1 22.718 7.090 13.400 0.00 1.00 -ATOM 369 C5x TOP 1 1 22.718 7.090 16.750 0.00 1.00 -ATOM 370 C5y TOP 1 1 21.490 9.217 10.050 0.00 1.00 -ATOM 371 C5z TOP 1 1 21.490 9.217 13.400 0.00 1.00 -ATOM 372 C60 TOP 1 1 21.490 9.217 16.750 0.00 1.00 -ATOM 373 C61 TOP 1 1 20.262 11.344 10.050 0.00 1.00 -ATOM 374 C62 TOP 1 1 20.262 11.344 13.400 0.00 1.00 -ATOM 375 C63 TOP 1 1 20.262 11.344 16.750 0.00 1.00 -ATOM 376 C64 TOP 1 1 19.034 13.471 10.050 0.00 1.00 -ATOM 377 C65 TOP 1 1 19.034 13.471 13.400 0.00 1.00 -ATOM 378 C66 TOP 1 1 19.034 13.471 16.750 0.00 1.00 -ATOM 379 C67 TOP 1 1 7.982 15.597 10.050 0.00 1.00 -ATOM 380 C68 TOP 1 1 7.982 15.597 13.400 0.00 1.00 -ATOM 381 C69 TOP 1 1 7.982 15.597 16.750 0.00 1.00 -ATOM 382 C6A TOP 1 1 6.754 17.724 10.050 0.00 1.00 -ATOM 383 C6B TOP 1 1 6.754 17.724 13.400 0.00 1.00 -ATOM 384 C6C TOP 1 1 6.754 17.724 16.750 0.00 1.00 -ATOM 385 C6D TOP 1 1 5.526 19.851 10.050 0.00 1.00 -ATOM 386 C6E TOP 1 1 5.526 19.851 13.400 0.00 1.00 -ATOM 387 C6F TOP 1 1 5.526 19.851 16.750 0.00 1.00 -ATOM 388 C6G TOP 1 1 4.298 21.978 10.050 0.00 1.00 -ATOM 389 C6H TOP 1 1 4.298 21.978 13.400 0.00 1.00 -ATOM 390 C6I TOP 1 1 4.298 21.978 16.750 0.00 1.00 -ATOM 391 C6J TOP 1 1 3.070 24.105 10.050 0.00 1.00 -ATOM 392 C6K TOP 1 1 3.070 24.105 13.400 0.00 1.00 -ATOM 393 C6L TOP 1 1 3.070 24.105 16.750 0.00 1.00 -ATOM 394 C6M TOP 1 1 1.842 26.232 10.050 0.00 1.00 -ATOM 395 C6N TOP 1 1 1.842 26.232 13.400 0.00 1.00 -ATOM 396 C6O TOP 1 1 1.842 26.232 16.750 0.00 1.00 -ATOM 397 C6P TOP 1 1 0.614 28.359 10.050 0.00 1.00 -ATOM 398 C6Q TOP 1 1 0.614 28.359 13.400 0.00 1.00 -ATOM 399 C6R TOP 1 1 0.614 28.359 16.750 0.00 1.00 -ATOM 400 C6S TOP 1 1 28.858 0.709 10.050 0.00 1.00 -ATOM 401 C6T TOP 1 1 28.858 0.709 13.400 0.00 1.00 -ATOM 402 C6U TOP 1 1 28.858 0.709 16.750 0.00 1.00 -ATOM 403 C6V TOP 1 1 27.630 2.836 10.050 0.00 1.00 -ATOM 404 C6W TOP 1 1 27.630 2.836 13.400 0.00 1.00 -ATOM 405 C6X TOP 1 1 27.630 2.836 16.750 0.00 1.00 -ATOM 406 C6Y TOP 1 1 26.402 4.963 10.050 0.00 1.00 -ATOM 407 C6Z TOP 1 1 26.402 4.963 13.400 0.00 1.00 -ATOM 408 C6a TOP 1 1 26.402 4.963 16.750 0.00 1.00 -ATOM 409 C6b TOP 1 1 25.174 7.090 10.050 0.00 1.00 -ATOM 410 C6c TOP 1 1 25.174 7.090 13.400 0.00 1.00 -ATOM 411 C6d TOP 1 1 25.174 7.090 16.750 0.00 1.00 -ATOM 412 C6e TOP 1 1 23.946 9.217 10.050 0.00 1.00 -ATOM 413 C6f TOP 1 1 23.946 9.217 13.400 0.00 1.00 -ATOM 414 C6g TOP 1 1 23.946 9.217 16.750 0.00 1.00 -ATOM 415 C6h TOP 1 1 22.718 11.344 10.050 0.00 1.00 -ATOM 416 C6i TOP 1 1 22.718 11.344 13.400 0.00 1.00 -ATOM 417 C6j TOP 1 1 22.718 11.344 16.750 0.00 1.00 -ATOM 418 C6k TOP 1 1 21.490 13.471 10.050 0.00 1.00 -ATOM 419 C6l TOP 1 1 21.490 13.471 13.400 0.00 1.00 -ATOM 420 C6m TOP 1 1 21.490 13.471 16.750 0.00 1.00 -ATOM 421 C6n TOP 1 1 10.438 15.597 10.050 0.00 1.00 -ATOM 422 C6o TOP 1 1 10.438 15.597 13.400 0.00 1.00 -ATOM 423 C6p TOP 1 1 10.438 15.597 16.750 0.00 1.00 -ATOM 424 C6q TOP 1 1 9.210 17.724 10.050 0.00 1.00 -ATOM 425 C6r TOP 1 1 9.210 17.724 13.400 0.00 1.00 -ATOM 426 C6s TOP 1 1 9.210 17.724 16.750 0.00 1.00 -ATOM 427 C6t TOP 1 1 7.982 19.851 10.050 0.00 1.00 -ATOM 428 C6u TOP 1 1 7.982 19.851 13.400 0.00 1.00 -ATOM 429 C6v TOP 1 1 7.982 19.851 16.750 0.00 1.00 -ATOM 430 C6w TOP 1 1 6.754 21.978 10.050 0.00 1.00 -ATOM 431 C6x TOP 1 1 6.754 21.978 13.400 0.00 1.00 -ATOM 432 C6y TOP 1 1 6.754 21.978 16.750 0.00 1.00 -ATOM 433 C6z TOP 1 1 5.526 24.105 10.050 0.00 1.00 -ATOM 434 C70 TOP 1 1 5.526 24.105 13.400 0.00 1.00 -ATOM 435 C71 TOP 1 1 5.526 24.105 16.750 0.00 1.00 -ATOM 436 C72 TOP 1 1 4.298 26.232 10.050 0.00 1.00 -ATOM 437 C73 TOP 1 1 4.298 26.232 13.400 0.00 1.00 -ATOM 438 C74 TOP 1 1 4.298 26.232 16.750 0.00 1.00 -ATOM 439 C75 TOP 1 1 3.070 28.359 10.050 0.00 1.00 -ATOM 440 C76 TOP 1 1 3.070 28.359 13.400 0.00 1.00 -ATOM 441 C77 TOP 1 1 3.070 28.359 16.750 0.00 1.00 -ATOM 442 C78 TOP 1 1 1.842 0.709 10.050 0.00 1.00 -ATOM 443 C79 TOP 1 1 1.842 0.709 13.400 0.00 1.00 -ATOM 444 C7A TOP 1 1 1.842 0.709 16.750 0.00 1.00 -ATOM 445 C7B TOP 1 1 0.614 2.836 10.050 0.00 1.00 -ATOM 446 C7C TOP 1 1 0.614 2.836 13.400 0.00 1.00 -ATOM 447 C7D TOP 1 1 0.614 2.836 16.750 0.00 1.00 -ATOM 448 C7E TOP 1 1 28.858 4.963 10.050 0.00 1.00 -ATOM 449 C7F TOP 1 1 28.858 4.963 13.400 0.00 1.00 -ATOM 450 C7G TOP 1 1 28.858 4.963 16.750 0.00 1.00 -ATOM 451 C7H TOP 1 1 27.630 7.090 10.050 0.00 1.00 -ATOM 452 C7I TOP 1 1 27.630 7.090 13.400 0.00 1.00 -ATOM 453 C7J TOP 1 1 27.630 7.090 16.750 0.00 1.00 -ATOM 454 C7K TOP 1 1 26.402 9.217 10.050 0.00 1.00 -ATOM 455 C7L TOP 1 1 26.402 9.217 13.400 0.00 1.00 -ATOM 456 C7M TOP 1 1 26.402 9.217 16.750 0.00 1.00 -ATOM 457 C7N TOP 1 1 25.174 11.344 10.050 0.00 1.00 -ATOM 458 C7O TOP 1 1 25.174 11.344 13.400 0.00 1.00 -ATOM 459 C7P TOP 1 1 25.174 11.344 16.750 0.00 1.00 -ATOM 460 C7Q TOP 1 1 23.946 13.471 10.050 0.00 1.00 -ATOM 461 C7R TOP 1 1 23.946 13.471 13.400 0.00 1.00 -ATOM 462 C7S TOP 1 1 23.946 13.471 16.750 0.00 1.00 -ATOM 463 C7T TOP 1 1 12.894 15.597 10.050 0.00 1.00 -ATOM 464 C7U TOP 1 1 12.894 15.597 13.400 0.00 1.00 -ATOM 465 C7V TOP 1 1 12.894 15.597 16.750 0.00 1.00 -ATOM 466 C7W TOP 1 1 11.666 17.724 10.050 0.00 1.00 -ATOM 467 C7X TOP 1 1 11.666 17.724 13.400 0.00 1.00 -ATOM 468 C7Y TOP 1 1 11.666 17.724 16.750 0.00 1.00 -ATOM 469 C7Z TOP 1 1 10.438 19.851 10.050 0.00 1.00 -ATOM 470 C7a TOP 1 1 10.438 19.851 13.400 0.00 1.00 -ATOM 471 C7b TOP 1 1 10.438 19.851 16.750 0.00 1.00 -ATOM 472 C7c TOP 1 1 9.210 21.978 10.050 0.00 1.00 -ATOM 473 C7d TOP 1 1 9.210 21.978 13.400 0.00 1.00 -ATOM 474 C7e TOP 1 1 9.210 21.978 16.750 0.00 1.00 -ATOM 475 C7f TOP 1 1 7.982 24.105 10.050 0.00 1.00 -ATOM 476 C7g TOP 1 1 7.982 24.105 13.400 0.00 1.00 -ATOM 477 C7h TOP 1 1 7.982 24.105 16.750 0.00 1.00 -ATOM 478 C7i TOP 1 1 6.754 26.232 10.050 0.00 1.00 -ATOM 479 C7j TOP 1 1 6.754 26.232 13.400 0.00 1.00 -ATOM 480 C7k TOP 1 1 6.754 26.232 16.750 0.00 1.00 -ATOM 481 C7l TOP 1 1 5.526 28.359 10.050 0.00 1.00 -ATOM 482 C7m TOP 1 1 5.526 28.359 13.400 0.00 1.00 -ATOM 483 C7n TOP 1 1 5.526 28.359 16.750 0.00 1.00 -ATOM 484 C7o TOP 1 1 4.298 0.709 10.050 0.00 1.00 -ATOM 485 C7p TOP 1 1 4.298 0.709 13.400 0.00 1.00 -ATOM 486 C7q TOP 1 1 4.298 0.709 16.750 0.00 1.00 -ATOM 487 C7r TOP 1 1 3.070 2.836 10.050 0.00 1.00 -ATOM 488 C7s TOP 1 1 3.070 2.836 13.400 0.00 1.00 -ATOM 489 C7t TOP 1 1 3.070 2.836 16.750 0.00 1.00 -ATOM 490 C7u TOP 1 1 1.842 4.963 10.050 0.00 1.00 -ATOM 491 C7v TOP 1 1 1.842 4.963 13.400 0.00 1.00 -ATOM 492 C7w TOP 1 1 1.842 4.963 16.750 0.00 1.00 -ATOM 493 C7x TOP 1 1 0.614 7.090 10.050 0.00 1.00 -ATOM 494 C7y TOP 1 1 0.614 7.090 13.400 0.00 1.00 -ATOM 495 C7z TOP 1 1 0.614 7.090 16.750 0.00 1.00 -ATOM 496 C80 TOP 1 1 28.858 9.217 10.050 0.00 1.00 -ATOM 497 C81 TOP 1 1 28.858 9.217 13.400 0.00 1.00 -ATOM 498 C82 TOP 1 1 28.858 9.217 16.750 0.00 1.00 -ATOM 499 C83 TOP 1 1 27.630 11.344 10.050 0.00 1.00 -ATOM 500 C84 TOP 1 1 27.630 11.344 13.400 0.00 1.00 -ATOM 501 C85 TOP 1 1 27.630 11.344 16.750 0.00 1.00 -ATOM 502 C86 TOP 1 1 26.402 13.471 10.050 0.00 1.00 -ATOM 503 C87 TOP 1 1 26.402 13.471 13.400 0.00 1.00 -ATOM 504 C88 TOP 1 1 26.402 13.471 16.750 0.00 1.00 -ATOM 505 C89 TOP 1 1 16.578 16.306 10.050 0.00 1.00 -ATOM 506 C8A TOP 1 1 16.578 16.306 13.400 0.00 1.00 -ATOM 507 C8B TOP 1 1 16.578 16.306 16.750 0.00 1.00 -ATOM 508 C8C TOP 1 1 15.350 18.433 10.050 0.00 1.00 -ATOM 509 C8D TOP 1 1 15.350 18.433 13.400 0.00 1.00 -ATOM 510 C8E TOP 1 1 15.350 18.433 16.750 0.00 1.00 -ATOM 511 C8F TOP 1 1 14.122 20.560 10.050 0.00 1.00 -ATOM 512 C8G TOP 1 1 14.122 20.560 13.400 0.00 1.00 -ATOM 513 C8H TOP 1 1 14.122 20.560 16.750 0.00 1.00 -ATOM 514 C8I TOP 1 1 12.894 22.687 10.050 0.00 1.00 -ATOM 515 C8J TOP 1 1 12.894 22.687 13.400 0.00 1.00 -ATOM 516 C8K TOP 1 1 12.894 22.687 16.750 0.00 1.00 -ATOM 517 C8L TOP 1 1 11.666 24.814 10.050 0.00 1.00 -ATOM 518 C8M TOP 1 1 11.666 24.814 13.400 0.00 1.00 -ATOM 519 C8N TOP 1 1 11.666 24.814 16.750 0.00 1.00 -ATOM 520 C8O TOP 1 1 10.438 26.941 10.050 0.00 1.00 -ATOM 521 C8P TOP 1 1 10.438 26.941 13.400 0.00 1.00 -ATOM 522 C8Q TOP 1 1 10.438 26.941 16.750 0.00 1.00 -ATOM 523 C8R TOP 1 1 9.210 29.068 10.050 0.00 1.00 -ATOM 524 C8S TOP 1 1 9.210 29.068 13.400 0.00 1.00 -ATOM 525 C8T TOP 1 1 9.210 29.068 16.750 0.00 1.00 -ATOM 526 C8U TOP 1 1 7.982 1.418 10.050 0.00 1.00 -ATOM 527 C8V TOP 1 1 7.982 1.418 13.400 0.00 1.00 -ATOM 528 C8W TOP 1 1 7.982 1.418 16.750 0.00 1.00 -ATOM 529 C8X TOP 1 1 6.754 3.545 10.050 0.00 1.00 -ATOM 530 C8Y TOP 1 1 6.754 3.545 13.400 0.00 1.00 -ATOM 531 C8Z TOP 1 1 6.754 3.545 16.750 0.00 1.00 -ATOM 532 C8a TOP 1 1 5.526 5.672 10.050 0.00 1.00 -ATOM 533 C8b TOP 1 1 5.526 5.672 13.400 0.00 1.00 -ATOM 534 C8c TOP 1 1 5.526 5.672 16.750 0.00 1.00 -ATOM 535 C8d TOP 1 1 4.298 7.799 10.050 0.00 1.00 -ATOM 536 C8e TOP 1 1 4.298 7.799 13.400 0.00 1.00 -ATOM 537 C8f TOP 1 1 4.298 7.799 16.750 0.00 1.00 -ATOM 538 C8g TOP 1 1 3.070 9.926 10.050 0.00 1.00 -ATOM 539 C8h TOP 1 1 3.070 9.926 13.400 0.00 1.00 -ATOM 540 C8i TOP 1 1 3.070 9.926 16.750 0.00 1.00 -ATOM 541 C8j TOP 1 1 1.842 12.053 10.050 0.00 1.00 -ATOM 542 C8k TOP 1 1 1.842 12.053 13.400 0.00 1.00 -ATOM 543 C8l TOP 1 1 1.842 12.053 16.750 0.00 1.00 -ATOM 544 C8m TOP 1 1 0.614 14.180 10.050 0.00 1.00 -ATOM 545 C8n TOP 1 1 0.614 14.180 13.400 0.00 1.00 -ATOM 546 C8o TOP 1 1 0.614 14.180 16.750 0.00 1.00 -ATOM 547 C8p TOP 1 1 19.034 16.306 10.050 0.00 1.00 -ATOM 548 C8q TOP 1 1 19.034 16.306 13.400 0.00 1.00 -ATOM 549 C8r TOP 1 1 19.034 16.306 16.750 0.00 1.00 -ATOM 550 C8s TOP 1 1 17.806 18.433 10.050 0.00 1.00 -ATOM 551 C8t TOP 1 1 17.806 18.433 13.400 0.00 1.00 -ATOM 552 C8u TOP 1 1 17.806 18.433 16.750 0.00 1.00 -ATOM 553 C8v TOP 1 1 16.578 20.560 10.050 0.00 1.00 -ATOM 554 C8w TOP 1 1 16.578 20.560 13.400 0.00 1.00 -ATOM 555 C8x TOP 1 1 16.578 20.560 16.750 0.00 1.00 -ATOM 556 C8y TOP 1 1 15.350 22.687 10.050 0.00 1.00 -ATOM 557 C8z TOP 1 1 15.350 22.687 13.400 0.00 1.00 -ATOM 558 C90 TOP 1 1 15.350 22.687 16.750 0.00 1.00 -ATOM 559 C91 TOP 1 1 14.122 24.814 10.050 0.00 1.00 -ATOM 560 C92 TOP 1 1 14.122 24.814 13.400 0.00 1.00 -ATOM 561 C93 TOP 1 1 14.122 24.814 16.750 0.00 1.00 -ATOM 562 C94 TOP 1 1 12.894 26.941 10.050 0.00 1.00 -ATOM 563 C95 TOP 1 1 12.894 26.941 13.400 0.00 1.00 -ATOM 564 C96 TOP 1 1 12.894 26.941 16.750 0.00 1.00 -ATOM 565 C97 TOP 1 1 11.666 29.068 10.050 0.00 1.00 -ATOM 566 C98 TOP 1 1 11.666 29.068 13.400 0.00 1.00 -ATOM 567 C99 TOP 1 1 11.666 29.068 16.750 0.00 1.00 -ATOM 568 C9A TOP 1 1 10.438 1.418 10.050 0.00 1.00 -ATOM 569 C9B TOP 1 1 10.438 1.418 13.400 0.00 1.00 -ATOM 570 C9C TOP 1 1 10.438 1.418 16.750 0.00 1.00 -ATOM 571 C9D TOP 1 1 9.210 3.545 10.050 0.00 1.00 -ATOM 572 C9E TOP 1 1 9.210 3.545 13.400 0.00 1.00 -ATOM 573 C9F TOP 1 1 9.210 3.545 16.750 0.00 1.00 -ATOM 574 C9G TOP 1 1 7.982 5.672 10.050 0.00 1.00 -ATOM 575 C9H TOP 1 1 7.982 5.672 13.400 0.00 1.00 -ATOM 576 C9I TOP 1 1 7.982 5.672 16.750 0.00 1.00 -ATOM 577 C9J TOP 1 1 6.754 7.799 10.050 0.00 1.00 -ATOM 578 C9K TOP 1 1 6.754 7.799 13.400 0.00 1.00 -ATOM 579 C9L TOP 1 1 6.754 7.799 16.750 0.00 1.00 -ATOM 580 C9M TOP 1 1 5.526 9.926 10.050 0.00 1.00 -ATOM 581 C9N TOP 1 1 5.526 9.926 13.400 0.00 1.00 -ATOM 582 C9O TOP 1 1 5.526 9.926 16.750 0.00 1.00 -ATOM 583 C9P TOP 1 1 4.298 12.053 10.050 0.00 1.00 -ATOM 584 C9Q TOP 1 1 4.298 12.053 13.400 0.00 1.00 -ATOM 585 C9R TOP 1 1 4.298 12.053 16.750 0.00 1.00 -ATOM 586 C9S TOP 1 1 3.070 14.180 10.050 0.00 1.00 -ATOM 587 C9T TOP 1 1 3.070 14.180 13.400 0.00 1.00 -ATOM 588 C9U TOP 1 1 3.070 14.180 16.750 0.00 1.00 -ATOM 589 C9V TOP 1 1 21.490 16.306 10.050 0.00 1.00 -ATOM 590 C9W TOP 1 1 21.490 16.306 13.400 0.00 1.00 -ATOM 591 C9X TOP 1 1 21.490 16.306 16.750 0.00 1.00 -ATOM 592 C9Y TOP 1 1 20.262 18.433 10.050 0.00 1.00 -ATOM 593 C9Z TOP 1 1 20.262 18.433 13.400 0.00 1.00 -ATOM 594 C9a TOP 1 1 20.262 18.433 16.750 0.00 1.00 -ATOM 595 C9b TOP 1 1 19.034 20.560 10.050 0.00 1.00 -ATOM 596 C9c TOP 1 1 19.034 20.560 13.400 0.00 1.00 -ATOM 597 C9d TOP 1 1 19.034 20.560 16.750 0.00 1.00 -ATOM 598 C9e TOP 1 1 17.806 22.687 10.050 0.00 1.00 -ATOM 599 C9f TOP 1 1 17.806 22.687 13.400 0.00 1.00 -ATOM 600 C9g TOP 1 1 17.806 22.687 16.750 0.00 1.00 -ATOM 601 C9h TOP 1 1 16.578 24.814 10.050 0.00 1.00 -ATOM 602 C9i TOP 1 1 16.578 24.814 13.400 0.00 1.00 -ATOM 603 C9j TOP 1 1 16.578 24.814 16.750 0.00 1.00 -ATOM 604 C9k TOP 1 1 15.350 26.941 10.050 0.00 1.00 -ATOM 605 C9l TOP 1 1 15.350 26.941 13.400 0.00 1.00 -ATOM 606 C9m TOP 1 1 15.350 26.941 16.750 0.00 1.00 -ATOM 607 C9n TOP 1 1 14.122 29.068 10.050 0.00 1.00 -ATOM 608 C9o TOP 1 1 14.122 29.068 13.400 0.00 1.00 -ATOM 609 C9p TOP 1 1 14.122 29.068 16.750 0.00 1.00 -ATOM 610 C9q TOP 1 1 12.894 1.418 10.050 0.00 1.00 -ATOM 611 C9r TOP 1 1 12.894 1.418 13.400 0.00 1.00 -ATOM 612 C9s TOP 1 1 12.894 1.418 16.750 0.00 1.00 -ATOM 613 C9t TOP 1 1 11.666 3.545 10.050 0.00 1.00 -ATOM 614 C9u TOP 1 1 11.666 3.545 13.400 0.00 1.00 -ATOM 615 C9v TOP 1 1 11.666 3.545 16.750 0.00 1.00 -ATOM 616 C9w TOP 1 1 10.438 5.672 10.050 0.00 1.00 -ATOM 617 C9x TOP 1 1 10.438 5.672 13.400 0.00 1.00 -ATOM 618 C9y TOP 1 1 10.438 5.672 16.750 0.00 1.00 -ATOM 619 C9z TOP 1 1 9.210 7.799 10.050 0.00 1.00 -ATOM 620 CA0 TOP 1 1 9.210 7.799 13.400 0.00 1.00 -ATOM 621 CA1 TOP 1 1 9.210 7.799 16.750 0.00 1.00 -ATOM 622 CA2 TOP 1 1 7.982 9.926 10.050 0.00 1.00 -ATOM 623 CA3 TOP 1 1 7.982 9.926 13.400 0.00 1.00 -ATOM 624 CA4 TOP 1 1 7.982 9.926 16.750 0.00 1.00 -ATOM 625 CA5 TOP 1 1 6.754 12.053 10.050 0.00 1.00 -ATOM 626 CA6 TOP 1 1 6.754 12.053 13.400 0.00 1.00 -ATOM 627 CA7 TOP 1 1 6.754 12.053 16.750 0.00 1.00 -ATOM 628 CA8 TOP 1 1 5.526 14.180 10.050 0.00 1.00 -ATOM 629 CA9 TOP 1 1 5.526 14.180 13.400 0.00 1.00 -ATOM 630 CAA TOP 1 1 5.526 14.180 16.750 0.00 1.00 -ATOM 631 CAB TOP 1 1 23.946 16.306 10.050 0.00 1.00 -ATOM 632 CAC TOP 1 1 23.946 16.306 13.400 0.00 1.00 -ATOM 633 CAD TOP 1 1 23.946 16.306 16.750 0.00 1.00 -ATOM 634 CAE TOP 1 1 22.718 18.433 10.050 0.00 1.00 -ATOM 635 CAF TOP 1 1 22.718 18.433 13.400 0.00 1.00 -ATOM 636 CAG TOP 1 1 22.718 18.433 16.750 0.00 1.00 -ATOM 637 CAH TOP 1 1 21.490 20.560 10.050 0.00 1.00 -ATOM 638 CAI TOP 1 1 21.490 20.560 13.400 0.00 1.00 -ATOM 639 CAJ TOP 1 1 21.490 20.560 16.750 0.00 1.00 -ATOM 640 CAK TOP 1 1 20.262 22.687 10.050 0.00 1.00 -ATOM 641 CAL TOP 1 1 20.262 22.687 13.400 0.00 1.00 -ATOM 642 CAM TOP 1 1 20.262 22.687 16.750 0.00 1.00 -ATOM 643 CAN TOP 1 1 19.034 24.814 10.050 0.00 1.00 -ATOM 644 CAO TOP 1 1 19.034 24.814 13.400 0.00 1.00 -ATOM 645 CAP TOP 1 1 19.034 24.814 16.750 0.00 1.00 -ATOM 646 CAQ TOP 1 1 17.806 26.941 10.050 0.00 1.00 -ATOM 647 CAR TOP 1 1 17.806 26.941 13.400 0.00 1.00 -ATOM 648 CAS TOP 1 1 17.806 26.941 16.750 0.00 1.00 -ATOM 649 CAT TOP 1 1 16.578 29.068 10.050 0.00 1.00 -ATOM 650 CAU TOP 1 1 16.578 29.068 13.400 0.00 1.00 -ATOM 651 CAV TOP 1 1 16.578 29.068 16.750 0.00 1.00 -ATOM 652 CAW TOP 1 1 15.350 1.418 10.050 0.00 1.00 -ATOM 653 CAX TOP 1 1 15.350 1.418 13.400 0.00 1.00 -ATOM 654 CAY TOP 1 1 15.350 1.418 16.750 0.00 1.00 -ATOM 655 CAZ TOP 1 1 14.122 3.545 10.050 0.00 1.00 -ATOM 656 CAa TOP 1 1 14.122 3.545 13.400 0.00 1.00 -ATOM 657 CAb TOP 1 1 14.122 3.545 16.750 0.00 1.00 -ATOM 658 CAc TOP 1 1 12.894 5.672 10.050 0.00 1.00 -ATOM 659 CAd TOP 1 1 12.894 5.672 13.400 0.00 1.00 -ATOM 660 CAe TOP 1 1 12.894 5.672 16.750 0.00 1.00 -ATOM 661 CAf TOP 1 1 11.666 7.799 10.050 0.00 1.00 -ATOM 662 CAg TOP 1 1 11.666 7.799 13.400 0.00 1.00 -ATOM 663 CAh TOP 1 1 11.666 7.799 16.750 0.00 1.00 -ATOM 664 CAi TOP 1 1 10.438 9.926 10.050 0.00 1.00 -ATOM 665 CAj TOP 1 1 10.438 9.926 13.400 0.00 1.00 -ATOM 666 CAk TOP 1 1 10.438 9.926 16.750 0.00 1.00 -ATOM 667 CAl TOP 1 1 9.210 12.053 10.050 0.00 1.00 -ATOM 668 CAm TOP 1 1 9.210 12.053 13.400 0.00 1.00 -ATOM 669 CAn TOP 1 1 9.210 12.053 16.750 0.00 1.00 -ATOM 670 CAo TOP 1 1 7.982 14.180 10.050 0.00 1.00 -ATOM 671 CAp TOP 1 1 7.982 14.180 13.400 0.00 1.00 -ATOM 672 CAq TOP 1 1 7.982 14.180 16.750 0.00 1.00 -ATOM 673 CAr TOP 1 1 26.402 16.306 10.050 0.00 1.00 -ATOM 674 CAs TOP 1 1 26.402 16.306 13.400 0.00 1.00 -ATOM 675 CAt TOP 1 1 26.402 16.306 16.750 0.00 1.00 -ATOM 676 CAu TOP 1 1 25.174 18.433 10.050 0.00 1.00 -ATOM 677 CAv TOP 1 1 25.174 18.433 13.400 0.00 1.00 -ATOM 678 CAw TOP 1 1 25.174 18.433 16.750 0.00 1.00 -ATOM 679 CAx TOP 1 1 23.946 20.560 10.050 0.00 1.00 -ATOM 680 CAy TOP 1 1 23.946 20.560 13.400 0.00 1.00 -ATOM 681 CAz TOP 1 1 23.946 20.560 16.750 0.00 1.00 -ATOM 682 CB0 TOP 1 1 22.718 22.687 10.050 0.00 1.00 -ATOM 683 CB1 TOP 1 1 22.718 22.687 13.400 0.00 1.00 -ATOM 684 CB2 TOP 1 1 22.718 22.687 16.750 0.00 1.00 -ATOM 685 CB3 TOP 1 1 21.490 24.814 10.050 0.00 1.00 -ATOM 686 CB4 TOP 1 1 21.490 24.814 13.400 0.00 1.00 -ATOM 687 CB5 TOP 1 1 21.490 24.814 16.750 0.00 1.00 -ATOM 688 CB6 TOP 1 1 20.262 26.941 10.050 0.00 1.00 -ATOM 689 CB7 TOP 1 1 20.262 26.941 13.400 0.00 1.00 -ATOM 690 CB8 TOP 1 1 20.262 26.941 16.750 0.00 1.00 -ATOM 691 CB9 TOP 1 1 19.034 29.068 10.050 0.00 1.00 -ATOM 692 CBA TOP 1 1 19.034 29.068 13.400 0.00 1.00 -ATOM 693 CBB TOP 1 1 19.034 29.068 16.750 0.00 1.00 -ATOM 694 CBC TOP 1 1 17.806 1.418 10.050 0.00 1.00 -ATOM 695 CBD TOP 1 1 17.806 1.418 13.400 0.00 1.00 -ATOM 696 CBE TOP 1 1 17.806 1.418 16.750 0.00 1.00 -ATOM 697 CBF TOP 1 1 16.578 3.545 10.050 0.00 1.00 -ATOM 698 CBG TOP 1 1 16.578 3.545 13.400 0.00 1.00 -ATOM 699 CBH TOP 1 1 16.578 3.545 16.750 0.00 1.00 -ATOM 700 CBI TOP 1 1 15.350 5.672 10.050 0.00 1.00 -ATOM 701 CBJ TOP 1 1 15.350 5.672 13.400 0.00 1.00 -ATOM 702 CBK TOP 1 1 15.350 5.672 16.750 0.00 1.00 -ATOM 703 CBL TOP 1 1 14.122 7.799 10.050 0.00 1.00 -ATOM 704 CBM TOP 1 1 14.122 7.799 13.400 0.00 1.00 -ATOM 705 CBN TOP 1 1 14.122 7.799 16.750 0.00 1.00 -ATOM 706 CBO TOP 1 1 12.894 9.926 10.050 0.00 1.00 -ATOM 707 CBP TOP 1 1 12.894 9.926 13.400 0.00 1.00 -ATOM 708 CBQ TOP 1 1 12.894 9.926 16.750 0.00 1.00 -ATOM 709 CBR TOP 1 1 11.666 12.053 10.050 0.00 1.00 -ATOM 710 CBS TOP 1 1 11.666 12.053 13.400 0.00 1.00 -ATOM 711 CBT TOP 1 1 11.666 12.053 16.750 0.00 1.00 -ATOM 712 CBU TOP 1 1 10.438 14.180 10.050 0.00 1.00 -ATOM 713 CBV TOP 1 1 10.438 14.180 13.400 0.00 1.00 -ATOM 714 CBW TOP 1 1 10.438 14.180 16.750 0.00 1.00 -ATOM 715 CBX TOP 1 1 28.858 16.306 10.050 0.00 1.00 -ATOM 716 CBY TOP 1 1 28.858 16.306 13.400 0.00 1.00 -ATOM 717 CBZ TOP 1 1 28.858 16.306 16.750 0.00 1.00 -ATOM 718 CBa TOP 1 1 27.630 18.433 10.050 0.00 1.00 -ATOM 719 CBb TOP 1 1 27.630 18.433 13.400 0.00 1.00 -ATOM 720 CBc TOP 1 1 27.630 18.433 16.750 0.00 1.00 -ATOM 721 CBd TOP 1 1 26.402 20.560 10.050 0.00 1.00 -ATOM 722 CBe TOP 1 1 26.402 20.560 13.400 0.00 1.00 -ATOM 723 CBf TOP 1 1 26.402 20.560 16.750 0.00 1.00 -ATOM 724 CBg TOP 1 1 25.174 22.687 10.050 0.00 1.00 -ATOM 725 CBh TOP 1 1 25.174 22.687 13.400 0.00 1.00 -ATOM 726 CBi TOP 1 1 25.174 22.687 16.750 0.00 1.00 -ATOM 727 CBj TOP 1 1 23.946 24.814 10.050 0.00 1.00 -ATOM 728 CBk TOP 1 1 23.946 24.814 13.400 0.00 1.00 -ATOM 729 CBl TOP 1 1 23.946 24.814 16.750 0.00 1.00 -ATOM 730 CBm TOP 1 1 22.718 26.941 10.050 0.00 1.00 -ATOM 731 CBn TOP 1 1 22.718 26.941 13.400 0.00 1.00 -ATOM 732 CBo TOP 1 1 22.718 26.941 16.750 0.00 1.00 -ATOM 733 CBp TOP 1 1 21.490 29.068 10.050 0.00 1.00 -ATOM 734 CBq TOP 1 1 21.490 29.068 13.400 0.00 1.00 -ATOM 735 CBr TOP 1 1 21.490 29.068 16.750 0.00 1.00 -ATOM 736 CBs TOP 1 1 20.262 1.418 10.050 0.00 1.00 -ATOM 737 CBt TOP 1 1 20.262 1.418 13.400 0.00 1.00 -ATOM 738 CBu TOP 1 1 20.262 1.418 16.750 0.00 1.00 -ATOM 739 CBv TOP 1 1 19.034 3.545 10.050 0.00 1.00 -ATOM 740 CBw TOP 1 1 19.034 3.545 13.400 0.00 1.00 -ATOM 741 CBx TOP 1 1 19.034 3.545 16.750 0.00 1.00 -ATOM 742 CBy TOP 1 1 17.806 5.672 10.050 0.00 1.00 -ATOM 743 CBz TOP 1 1 17.806 5.672 13.400 0.00 1.00 -ATOM 744 CC0 TOP 1 1 17.806 5.672 16.750 0.00 1.00 -ATOM 745 CC1 TOP 1 1 16.578 7.799 10.050 0.00 1.00 -ATOM 746 CC2 TOP 1 1 16.578 7.799 13.400 0.00 1.00 -ATOM 747 CC3 TOP 1 1 16.578 7.799 16.750 0.00 1.00 -ATOM 748 CC4 TOP 1 1 15.350 9.926 10.050 0.00 1.00 -ATOM 749 CC5 TOP 1 1 15.350 9.926 13.400 0.00 1.00 -ATOM 750 CC6 TOP 1 1 15.350 9.926 16.750 0.00 1.00 -ATOM 751 CC7 TOP 1 1 14.122 12.053 10.050 0.00 1.00 -ATOM 752 CC8 TOP 1 1 14.122 12.053 13.400 0.00 1.00 -ATOM 753 CC9 TOP 1 1 14.122 12.053 16.750 0.00 1.00 -ATOM 754 CCA TOP 1 1 12.894 14.180 10.050 0.00 1.00 -ATOM 755 CCB TOP 1 1 12.894 14.180 13.400 0.00 1.00 -ATOM 756 CCC TOP 1 1 12.894 14.180 16.750 0.00 1.00 -ATOM 757 CCD TOP 1 1 1.842 16.306 10.050 0.00 1.00 -ATOM 758 CCE TOP 1 1 1.842 16.306 13.400 0.00 1.00 -ATOM 759 CCF TOP 1 1 1.842 16.306 16.750 0.00 1.00 -ATOM 760 CCG TOP 1 1 0.614 18.433 10.050 0.00 1.00 -ATOM 761 CCH TOP 1 1 0.614 18.433 13.400 0.00 1.00 -ATOM 762 CCI TOP 1 1 0.614 18.433 16.750 0.00 1.00 -ATOM 763 CCJ TOP 1 1 28.858 20.560 10.050 0.00 1.00 -ATOM 764 CCK TOP 1 1 28.858 20.560 13.400 0.00 1.00 -ATOM 765 CCL TOP 1 1 28.858 20.560 16.750 0.00 1.00 -ATOM 766 CCM TOP 1 1 27.630 22.687 10.050 0.00 1.00 -ATOM 767 CCN TOP 1 1 27.630 22.687 13.400 0.00 1.00 -ATOM 768 CCO TOP 1 1 27.630 22.687 16.750 0.00 1.00 -ATOM 769 CCP TOP 1 1 26.402 24.814 10.050 0.00 1.00 -ATOM 770 CCQ TOP 1 1 26.402 24.814 13.400 0.00 1.00 -ATOM 771 CCR TOP 1 1 26.402 24.814 16.750 0.00 1.00 -ATOM 772 CCS TOP 1 1 25.174 26.941 10.050 0.00 1.00 -ATOM 773 CCT TOP 1 1 25.174 26.941 13.400 0.00 1.00 -ATOM 774 CCU TOP 1 1 25.174 26.941 16.750 0.00 1.00 -ATOM 775 CCV TOP 1 1 23.946 29.068 10.050 0.00 1.00 -ATOM 776 CCW TOP 1 1 23.946 29.068 13.400 0.00 1.00 -ATOM 777 CCX TOP 1 1 23.946 29.068 16.750 0.00 1.00 -ATOM 778 CCY TOP 1 1 22.718 1.418 10.050 0.00 1.00 -ATOM 779 CCZ TOP 1 1 22.718 1.418 13.400 0.00 1.00 -ATOM 780 CCa TOP 1 1 22.718 1.418 16.750 0.00 1.00 -ATOM 781 CCb TOP 1 1 21.490 3.545 10.050 0.00 1.00 -ATOM 782 CCc TOP 1 1 21.490 3.545 13.400 0.00 1.00 -ATOM 783 CCd TOP 1 1 21.490 3.545 16.750 0.00 1.00 -ATOM 784 CCe TOP 1 1 20.262 5.672 10.050 0.00 1.00 -ATOM 785 CCf TOP 1 1 20.262 5.672 13.400 0.00 1.00 -ATOM 786 CCg TOP 1 1 20.262 5.672 16.750 0.00 1.00 -ATOM 787 CCh TOP 1 1 19.034 7.799 10.050 0.00 1.00 -ATOM 788 CCi TOP 1 1 19.034 7.799 13.400 0.00 1.00 -ATOM 789 CCj TOP 1 1 19.034 7.799 16.750 0.00 1.00 -ATOM 790 CCk TOP 1 1 17.806 9.926 10.050 0.00 1.00 -ATOM 791 CCl TOP 1 1 17.806 9.926 13.400 0.00 1.00 -ATOM 792 CCm TOP 1 1 17.806 9.926 16.750 0.00 1.00 -ATOM 793 CCn TOP 1 1 16.578 12.053 10.050 0.00 1.00 -ATOM 794 CCo TOP 1 1 16.578 12.053 13.400 0.00 1.00 -ATOM 795 CCp TOP 1 1 16.578 12.053 16.750 0.00 1.00 -ATOM 796 CCq TOP 1 1 15.350 14.180 10.050 0.00 1.00 -ATOM 797 CCr TOP 1 1 15.350 14.180 13.400 0.00 1.00 -ATOM 798 CCs TOP 1 1 15.350 14.180 16.750 0.00 1.00 -ATOM 799 CCt TOP 1 1 4.298 16.306 10.050 0.00 1.00 -ATOM 800 CCu TOP 1 1 4.298 16.306 13.400 0.00 1.00 -ATOM 801 CCv TOP 1 1 4.298 16.306 16.750 0.00 1.00 -ATOM 802 CCw TOP 1 1 3.070 18.433 10.050 0.00 1.00 -ATOM 803 CCx TOP 1 1 3.070 18.433 13.400 0.00 1.00 -ATOM 804 CCy TOP 1 1 3.070 18.433 16.750 0.00 1.00 -ATOM 805 CCz TOP 1 1 1.842 20.560 10.050 0.00 1.00 -ATOM 806 CD0 TOP 1 1 1.842 20.560 13.400 0.00 1.00 -ATOM 807 CD1 TOP 1 1 1.842 20.560 16.750 0.00 1.00 -ATOM 808 CD2 TOP 1 1 0.614 22.687 10.050 0.00 1.00 -ATOM 809 CD3 TOP 1 1 0.614 22.687 13.400 0.00 1.00 -ATOM 810 CD4 TOP 1 1 0.614 22.687 16.750 0.00 1.00 -ATOM 811 CD5 TOP 1 1 28.858 24.814 10.050 0.00 1.00 -ATOM 812 CD6 TOP 1 1 28.858 24.814 13.400 0.00 1.00 -ATOM 813 CD7 TOP 1 1 28.858 24.814 16.750 0.00 1.00 -ATOM 814 CD8 TOP 1 1 27.630 26.941 10.050 0.00 1.00 -ATOM 815 CD9 TOP 1 1 27.630 26.941 13.400 0.00 1.00 -ATOM 816 CDA TOP 1 1 27.630 26.941 16.750 0.00 1.00 -ATOM 817 CDB TOP 1 1 26.402 29.068 10.050 0.00 1.00 -ATOM 818 CDC TOP 1 1 26.402 29.068 13.400 0.00 1.00 -ATOM 819 CDD TOP 1 1 26.402 29.068 16.750 0.00 1.00 -ATOM 820 CDE TOP 1 1 25.174 1.418 10.050 0.00 1.00 -ATOM 821 CDF TOP 1 1 25.174 1.418 13.400 0.00 1.00 -ATOM 822 CDG TOP 1 1 25.174 1.418 16.750 0.00 1.00 -ATOM 823 CDH TOP 1 1 23.946 3.545 10.050 0.00 1.00 -ATOM 824 CDI TOP 1 1 23.946 3.545 13.400 0.00 1.00 -ATOM 825 CDJ TOP 1 1 23.946 3.545 16.750 0.00 1.00 -ATOM 826 CDK TOP 1 1 22.718 5.672 10.050 0.00 1.00 -ATOM 827 CDL TOP 1 1 22.718 5.672 13.400 0.00 1.00 -ATOM 828 CDM TOP 1 1 22.718 5.672 16.750 0.00 1.00 -ATOM 829 CDN TOP 1 1 21.490 7.799 10.050 0.00 1.00 -ATOM 830 CDO TOP 1 1 21.490 7.799 13.400 0.00 1.00 -ATOM 831 CDP TOP 1 1 21.490 7.799 16.750 0.00 1.00 -ATOM 832 CDQ TOP 1 1 20.262 9.926 10.050 0.00 1.00 -ATOM 833 CDR TOP 1 1 20.262 9.926 13.400 0.00 1.00 -ATOM 834 CDS TOP 1 1 20.262 9.926 16.750 0.00 1.00 -ATOM 835 CDT TOP 1 1 19.034 12.053 10.050 0.00 1.00 -ATOM 836 CDU TOP 1 1 19.034 12.053 13.400 0.00 1.00 -ATOM 837 CDV TOP 1 1 19.034 12.053 16.750 0.00 1.00 -ATOM 838 CDW TOP 1 1 17.806 14.180 10.050 0.00 1.00 -ATOM 839 CDX TOP 1 1 17.806 14.180 13.400 0.00 1.00 -ATOM 840 CDY TOP 1 1 17.806 14.180 16.750 0.00 1.00 -ATOM 841 CDZ TOP 1 1 6.754 16.306 10.050 0.00 1.00 -ATOM 842 CDa TOP 1 1 6.754 16.306 13.400 0.00 1.00 -ATOM 843 CDb TOP 1 1 6.754 16.306 16.750 0.00 1.00 -ATOM 844 CDc TOP 1 1 5.526 18.433 10.050 0.00 1.00 -ATOM 845 CDd TOP 1 1 5.526 18.433 13.400 0.00 1.00 -ATOM 846 CDe TOP 1 1 5.526 18.433 16.750 0.00 1.00 -ATOM 847 CDf TOP 1 1 4.298 20.560 10.050 0.00 1.00 -ATOM 848 CDg TOP 1 1 4.298 20.560 13.400 0.00 1.00 -ATOM 849 CDh TOP 1 1 4.298 20.560 16.750 0.00 1.00 -ATOM 850 CDi TOP 1 1 3.070 22.687 10.050 0.00 1.00 -ATOM 851 CDj TOP 1 1 3.070 22.687 13.400 0.00 1.00 -ATOM 852 CDk TOP 1 1 3.070 22.687 16.750 0.00 1.00 -ATOM 853 CDl TOP 1 1 1.842 24.814 10.050 0.00 1.00 -ATOM 854 CDm TOP 1 1 1.842 24.814 13.400 0.00 1.00 -ATOM 855 CDn TOP 1 1 1.842 24.814 16.750 0.00 1.00 -ATOM 856 CDo TOP 1 1 0.614 26.941 10.050 0.00 1.00 -ATOM 857 CDp TOP 1 1 0.614 26.941 13.400 0.00 1.00 -ATOM 858 CDq TOP 1 1 0.614 26.941 16.750 0.00 1.00 -ATOM 859 CDr TOP 1 1 28.858 29.068 10.050 0.00 1.00 -ATOM 860 CDs TOP 1 1 28.858 29.068 13.400 0.00 1.00 -ATOM 861 CDt TOP 1 1 28.858 29.068 16.750 0.00 1.00 -ATOM 862 CDu TOP 1 1 27.630 1.418 10.050 0.00 1.00 -ATOM 863 CDv TOP 1 1 27.630 1.418 13.400 0.00 1.00 -ATOM 864 CDw TOP 1 1 27.630 1.418 16.750 0.00 1.00 -ATOM 865 CDx TOP 1 1 26.402 3.545 10.050 0.00 1.00 -ATOM 866 CDy TOP 1 1 26.402 3.545 13.400 0.00 1.00 -ATOM 867 CDz TOP 1 1 26.402 3.545 16.750 0.00 1.00 -ATOM 868 CE0 TOP 1 1 25.174 5.672 10.050 0.00 1.00 -ATOM 869 CE1 TOP 1 1 25.174 5.672 13.400 0.00 1.00 -ATOM 870 CE2 TOP 1 1 25.174 5.672 16.750 0.00 1.00 -ATOM 871 CE3 TOP 1 1 23.946 7.799 10.050 0.00 1.00 -ATOM 872 CE4 TOP 1 1 23.946 7.799 13.400 0.00 1.00 -ATOM 873 CE5 TOP 1 1 23.946 7.799 16.750 0.00 1.00 -ATOM 874 CE6 TOP 1 1 22.718 9.926 10.050 0.00 1.00 -ATOM 875 CE7 TOP 1 1 22.718 9.926 13.400 0.00 1.00 -ATOM 876 CE8 TOP 1 1 22.718 9.926 16.750 0.00 1.00 -ATOM 877 CE9 TOP 1 1 21.490 12.053 10.050 0.00 1.00 -ATOM 878 CEA TOP 1 1 21.490 12.053 13.400 0.00 1.00 -ATOM 879 CEB TOP 1 1 21.490 12.053 16.750 0.00 1.00 -ATOM 880 CEC TOP 1 1 20.262 14.180 10.050 0.00 1.00 -ATOM 881 CED TOP 1 1 20.262 14.180 13.400 0.00 1.00 -ATOM 882 CEE TOP 1 1 20.262 14.180 16.750 0.00 1.00 -ATOM 883 CEF TOP 1 1 9.210 16.306 10.050 0.00 1.00 -ATOM 884 CEG TOP 1 1 9.210 16.306 13.400 0.00 1.00 -ATOM 885 CEH TOP 1 1 9.210 16.306 16.750 0.00 1.00 -ATOM 886 CEI TOP 1 1 7.982 18.433 10.050 0.00 1.00 -ATOM 887 CEJ TOP 1 1 7.982 18.433 13.400 0.00 1.00 -ATOM 888 CEK TOP 1 1 7.982 18.433 16.750 0.00 1.00 -ATOM 889 CEL TOP 1 1 6.754 20.560 10.050 0.00 1.00 -ATOM 890 CEM TOP 1 1 6.754 20.560 13.400 0.00 1.00 -ATOM 891 CEN TOP 1 1 6.754 20.560 16.750 0.00 1.00 -ATOM 892 CEO TOP 1 1 5.526 22.687 10.050 0.00 1.00 -ATOM 893 CEP TOP 1 1 5.526 22.687 13.400 0.00 1.00 -ATOM 894 CEQ TOP 1 1 5.526 22.687 16.750 0.00 1.00 -ATOM 895 CER TOP 1 1 4.298 24.814 10.050 0.00 1.00 -ATOM 896 CES TOP 1 1 4.298 24.814 13.400 0.00 1.00 -ATOM 897 CET TOP 1 1 4.298 24.814 16.750 0.00 1.00 -ATOM 898 CEU TOP 1 1 3.070 26.941 10.050 0.00 1.00 -ATOM 899 CEV TOP 1 1 3.070 26.941 13.400 0.00 1.00 -ATOM 900 CEW TOP 1 1 3.070 26.941 16.750 0.00 1.00 -ATOM 901 CEX TOP 1 1 1.842 29.068 10.050 0.00 1.00 -ATOM 902 CEY TOP 1 1 1.842 29.068 13.400 0.00 1.00 -ATOM 903 CEZ TOP 1 1 1.842 29.068 16.750 0.00 1.00 -ATOM 904 CEa TOP 1 1 0.614 1.418 10.050 0.00 1.00 -ATOM 905 CEb TOP 1 1 0.614 1.418 13.400 0.00 1.00 -ATOM 906 CEc TOP 1 1 0.614 1.418 16.750 0.00 1.00 -ATOM 907 CEd TOP 1 1 28.858 3.545 10.050 0.00 1.00 -ATOM 908 CEe TOP 1 1 28.858 3.545 13.400 0.00 1.00 -ATOM 909 CEf TOP 1 1 28.858 3.545 16.750 0.00 1.00 -ATOM 910 CEg TOP 1 1 27.630 5.672 10.050 0.00 1.00 -ATOM 911 CEh TOP 1 1 27.630 5.672 13.400 0.00 1.00 -ATOM 912 CEi TOP 1 1 27.630 5.672 16.750 0.00 1.00 -ATOM 913 CEj TOP 1 1 26.402 7.799 10.050 0.00 1.00 -ATOM 914 CEk TOP 1 1 26.402 7.799 13.400 0.00 1.00 -ATOM 915 CEl TOP 1 1 26.402 7.799 16.750 0.00 1.00 -ATOM 916 CEm TOP 1 1 25.174 9.926 10.050 0.00 1.00 -ATOM 917 CEn TOP 1 1 25.174 9.926 13.400 0.00 1.00 -ATOM 918 CEo TOP 1 1 25.174 9.926 16.750 0.00 1.00 -ATOM 919 CEp TOP 1 1 23.946 12.053 10.050 0.00 1.00 -ATOM 920 CEq TOP 1 1 23.946 12.053 13.400 0.00 1.00 -ATOM 921 CEr TOP 1 1 23.946 12.053 16.750 0.00 1.00 -ATOM 922 CEs TOP 1 1 22.718 14.180 10.050 0.00 1.00 -ATOM 923 CEt TOP 1 1 22.718 14.180 13.400 0.00 1.00 -ATOM 924 CEu TOP 1 1 22.718 14.180 16.750 0.00 1.00 -ATOM 925 CEv TOP 1 1 11.666 16.306 10.050 0.00 1.00 -ATOM 926 CEw TOP 1 1 11.666 16.306 13.400 0.00 1.00 -ATOM 927 CEx TOP 1 1 11.666 16.306 16.750 0.00 1.00 -ATOM 928 CEy TOP 1 1 10.438 18.433 10.050 0.00 1.00 -ATOM 929 CEz TOP 1 1 10.438 18.433 13.400 0.00 1.00 -ATOM 930 CF0 TOP 1 1 10.438 18.433 16.750 0.00 1.00 -ATOM 931 CF1 TOP 1 1 9.210 20.560 10.050 0.00 1.00 -ATOM 932 CF2 TOP 1 1 9.210 20.560 13.400 0.00 1.00 -ATOM 933 CF3 TOP 1 1 9.210 20.560 16.750 0.00 1.00 -ATOM 934 CF4 TOP 1 1 7.982 22.687 10.050 0.00 1.00 -ATOM 935 CF5 TOP 1 1 7.982 22.687 13.400 0.00 1.00 -ATOM 936 CF6 TOP 1 1 7.982 22.687 16.750 0.00 1.00 -ATOM 937 CF7 TOP 1 1 6.754 24.814 10.050 0.00 1.00 -ATOM 938 CF8 TOP 1 1 6.754 24.814 13.400 0.00 1.00 -ATOM 939 CF9 TOP 1 1 6.754 24.814 16.750 0.00 1.00 -ATOM 940 CFA TOP 1 1 5.526 26.941 10.050 0.00 1.00 -ATOM 941 CFB TOP 1 1 5.526 26.941 13.400 0.00 1.00 -ATOM 942 CFC TOP 1 1 5.526 26.941 16.750 0.00 1.00 -ATOM 943 CFD TOP 1 1 4.298 29.068 10.050 0.00 1.00 -ATOM 944 CFE TOP 1 1 4.298 29.068 13.400 0.00 1.00 -ATOM 945 CFF TOP 1 1 4.298 29.068 16.750 0.00 1.00 -ATOM 946 CFG TOP 1 1 3.070 1.418 10.050 0.00 1.00 -ATOM 947 CFH TOP 1 1 3.070 1.418 13.400 0.00 1.00 -ATOM 948 CFI TOP 1 1 3.070 1.418 16.750 0.00 1.00 -ATOM 949 CFJ TOP 1 1 1.842 3.545 10.050 0.00 1.00 -ATOM 950 CFK TOP 1 1 1.842 3.545 13.400 0.00 1.00 -ATOM 951 CFL TOP 1 1 1.842 3.545 16.750 0.00 1.00 -ATOM 952 CFM TOP 1 1 0.614 5.672 10.050 0.00 1.00 -ATOM 953 CFN TOP 1 1 0.614 5.672 13.400 0.00 1.00 -ATOM 954 CFO TOP 1 1 0.614 5.672 16.750 0.00 1.00 -ATOM 955 CFP TOP 1 1 28.858 7.799 10.050 0.00 1.00 -ATOM 956 CFQ TOP 1 1 28.858 7.799 13.400 0.00 1.00 -ATOM 957 CFR TOP 1 1 28.858 7.799 16.750 0.00 1.00 -ATOM 958 CFS TOP 1 1 27.630 9.926 10.050 0.00 1.00 -ATOM 959 CFT TOP 1 1 27.630 9.926 13.400 0.00 1.00 -ATOM 960 CFU TOP 1 1 27.630 9.926 16.750 0.00 1.00 -ATOM 961 CFV TOP 1 1 26.402 12.053 10.050 0.00 1.00 -ATOM 962 CFW TOP 1 1 26.402 12.053 13.400 0.00 1.00 -ATOM 963 CFX TOP 1 1 26.402 12.053 16.750 0.00 1.00 -ATOM 964 CFY TOP 1 1 25.174 14.180 10.050 0.00 1.00 -ATOM 965 CFZ TOP 1 1 25.174 14.180 13.400 0.00 1.00 -ATOM 966 CFa TOP 1 1 25.174 14.180 16.750 0.00 1.00 -ATOM 967 CFb TOP 1 1 14.122 16.306 10.050 0.00 1.00 -ATOM 968 CFc TOP 1 1 14.122 16.306 13.400 0.00 1.00 -ATOM 969 CFd TOP 1 1 14.122 16.306 16.750 0.00 1.00 -ATOM 970 CFe TOP 1 1 12.894 18.433 10.050 0.00 1.00 -ATOM 971 CFf TOP 1 1 12.894 18.433 13.400 0.00 1.00 -ATOM 972 CFg TOP 1 1 12.894 18.433 16.750 0.00 1.00 -ATOM 973 CFh TOP 1 1 11.666 20.560 10.050 0.00 1.00 -ATOM 974 CFi TOP 1 1 11.666 20.560 13.400 0.00 1.00 -ATOM 975 CFj TOP 1 1 11.666 20.560 16.750 0.00 1.00 -ATOM 976 CFk TOP 1 1 10.438 22.687 10.050 0.00 1.00 -ATOM 977 CFl TOP 1 1 10.438 22.687 13.400 0.00 1.00 -ATOM 978 CFm TOP 1 1 10.438 22.687 16.750 0.00 1.00 -ATOM 979 CFn TOP 1 1 9.210 24.814 10.050 0.00 1.00 -ATOM 980 CFo TOP 1 1 9.210 24.814 13.400 0.00 1.00 -ATOM 981 CFp TOP 1 1 9.210 24.814 16.750 0.00 1.00 -ATOM 982 CFq TOP 1 1 7.982 26.941 10.050 0.00 1.00 -ATOM 983 CFr TOP 1 1 7.982 26.941 13.400 0.00 1.00 -ATOM 984 CFs TOP 1 1 7.982 26.941 16.750 0.00 1.00 -ATOM 985 CFt TOP 1 1 6.754 29.068 10.050 0.00 1.00 -ATOM 986 CFu TOP 1 1 6.754 29.068 13.400 0.00 1.00 -ATOM 987 CFv TOP 1 1 6.754 29.068 16.750 0.00 1.00 -ATOM 988 CFw TOP 1 1 5.526 1.418 10.050 0.00 1.00 -ATOM 989 CFx TOP 1 1 5.526 1.418 13.400 0.00 1.00 -ATOM 990 CFy TOP 1 1 5.526 1.418 16.750 0.00 1.00 -ATOM 991 CFz TOP 1 1 4.298 3.545 10.050 0.00 1.00 -ATOM 992 CG0 TOP 1 1 4.298 3.545 13.400 0.00 1.00 -ATOM 993 CG1 TOP 1 1 4.298 3.545 16.750 0.00 1.00 -ATOM 994 CG2 TOP 1 1 3.070 5.672 10.050 0.00 1.00 -ATOM 995 CG3 TOP 1 1 3.070 5.672 13.400 0.00 1.00 -ATOM 996 CG4 TOP 1 1 3.070 5.672 16.750 0.00 1.00 -ATOM 997 CG5 TOP 1 1 1.842 7.799 10.050 0.00 1.00 -ATOM 998 CG6 TOP 1 1 1.842 7.799 13.400 0.00 1.00 -ATOM 999 CG7 TOP 1 1 1.842 7.799 16.750 0.00 1.00 -ATOM 1000 CG8 TOP 1 1 0.614 9.926 10.050 0.00 1.00 -ATOM 1001 CG9 TOP 1 1 0.614 9.926 13.400 0.00 1.00 -ATOM 1002 CGA TOP 1 1 0.614 9.926 16.750 0.00 1.00 -ATOM 1003 CGB TOP 1 1 28.858 12.053 10.050 0.00 1.00 -ATOM 1004 CGC TOP 1 1 28.858 12.053 13.400 0.00 1.00 -ATOM 1005 CGD TOP 1 1 28.858 12.053 16.750 0.00 1.00 -ATOM 1006 CGE TOP 1 1 27.630 14.180 10.050 0.00 1.00 -ATOM 1007 CGF TOP 1 1 27.630 14.180 13.400 0.00 1.00 -ATOM 1008 CGG TOP 1 1 27.630 14.180 16.750 0.00 1.00 -ATOM 1009 C1 BOT 1 2 15.350 15.597 0.000 0.00 1.00 -ATOM 1010 C2 BOT 1 2 15.350 15.597 3.350 0.00 1.00 -ATOM 1011 C3 BOT 1 2 15.350 15.597 6.700 0.00 1.00 -ATOM 1012 C4 BOT 1 2 14.122 17.724 0.000 0.00 1.00 -ATOM 1013 C5 BOT 1 2 14.122 17.724 3.350 0.00 1.00 -ATOM 1014 C6 BOT 1 2 14.122 17.724 6.700 0.00 1.00 -ATOM 1015 C7 BOT 1 2 12.894 19.851 0.000 0.00 1.00 -ATOM 1016 C8 BOT 1 2 12.894 19.851 3.350 0.00 1.00 -ATOM 1017 C9 BOT 1 2 12.894 19.851 6.700 0.00 1.00 -ATOM 1018 CA BOT 1 2 11.666 21.978 0.000 0.00 1.00 -ATOM 1019 CB BOT 1 2 11.666 21.978 3.350 0.00 1.00 -ATOM 1020 CC BOT 1 2 11.666 21.978 6.700 0.00 1.00 -ATOM 1021 CD BOT 1 2 10.438 24.105 0.000 0.00 1.00 -ATOM 1022 CE BOT 1 2 10.438 24.105 3.350 0.00 1.00 -ATOM 1023 CF BOT 1 2 10.438 24.105 6.700 0.00 1.00 -ATOM 1024 CG BOT 1 2 9.210 26.232 0.000 0.00 1.00 -ATOM 1025 CH BOT 1 2 9.210 26.232 3.350 0.00 1.00 -ATOM 1026 CI BOT 1 2 9.210 26.232 6.700 0.00 1.00 -ATOM 1027 CJ BOT 1 2 7.982 28.359 0.000 0.00 1.00 -ATOM 1028 CK BOT 1 2 7.982 28.359 3.350 0.00 1.00 -ATOM 1029 CL BOT 1 2 7.982 28.359 6.700 0.00 1.00 -ATOM 1030 CM BOT 1 2 6.754 0.709 0.000 0.00 1.00 -ATOM 1031 CN BOT 1 2 6.754 0.709 3.350 0.00 1.00 -ATOM 1032 CO BOT 1 2 6.754 0.709 6.700 0.00 1.00 -ATOM 1033 CP BOT 1 2 5.526 2.836 0.000 0.00 1.00 -ATOM 1034 CQ BOT 1 2 5.526 2.836 3.350 0.00 1.00 -ATOM 1035 CR BOT 1 2 5.526 2.836 6.700 0.00 1.00 -ATOM 1036 CS BOT 1 2 4.298 4.963 0.000 0.00 1.00 -ATOM 1037 CT BOT 1 2 4.298 4.963 3.350 0.00 1.00 -ATOM 1038 CU BOT 1 2 4.298 4.963 6.700 0.00 1.00 -ATOM 1039 CV BOT 1 2 3.070 7.090 0.000 0.00 1.00 -ATOM 1040 CW BOT 1 2 3.070 7.090 3.350 0.00 1.00 -ATOM 1041 CX BOT 1 2 3.070 7.090 6.700 0.00 1.00 -ATOM 1042 CY BOT 1 2 1.842 9.217 0.000 0.00 1.00 -ATOM 1043 CZ BOT 1 2 1.842 9.217 3.350 0.00 1.00 -ATOM 1044 Ca BOT 1 2 1.842 9.217 6.700 0.00 1.00 -ATOM 1045 Cb BOT 1 2 0.614 11.344 0.000 0.00 1.00 -ATOM 1046 Cc BOT 1 2 0.614 11.344 3.350 0.00 1.00 -ATOM 1047 Cd BOT 1 2 0.614 11.344 6.700 0.00 1.00 -ATOM 1048 Ce BOT 1 2 28.858 13.471 0.000 0.00 1.00 -ATOM 1049 Cf BOT 1 2 28.858 13.471 3.350 0.00 1.00 -ATOM 1050 Cg BOT 1 2 28.858 13.471 6.700 0.00 1.00 -ATOM 1051 Ch BOT 1 2 17.806 15.597 0.000 0.00 1.00 -ATOM 1052 Ci BOT 1 2 17.806 15.597 3.350 0.00 1.00 -ATOM 1053 Cj BOT 1 2 17.806 15.597 6.700 0.00 1.00 -ATOM 1054 Ck BOT 1 2 16.578 17.724 0.000 0.00 1.00 -ATOM 1055 Cl BOT 1 2 16.578 17.724 3.350 0.00 1.00 -ATOM 1056 Cm BOT 1 2 16.578 17.724 6.700 0.00 1.00 -ATOM 1057 Cn BOT 1 2 15.350 19.851 0.000 0.00 1.00 -ATOM 1058 Co BOT 1 2 15.350 19.851 3.350 0.00 1.00 -ATOM 1059 Cp BOT 1 2 15.350 19.851 6.700 0.00 1.00 -ATOM 1060 Cq BOT 1 2 14.122 21.978 0.000 0.00 1.00 -ATOM 1061 Cr BOT 1 2 14.122 21.978 3.350 0.00 1.00 -ATOM 1062 Cs BOT 1 2 14.122 21.978 6.700 0.00 1.00 -ATOM 1063 Ct BOT 1 2 12.894 24.105 0.000 0.00 1.00 -ATOM 1064 Cu BOT 1 2 12.894 24.105 3.350 0.00 1.00 -ATOM 1065 Cv BOT 1 2 12.894 24.105 6.700 0.00 1.00 -ATOM 1066 Cw BOT 1 2 11.666 26.232 0.000 0.00 1.00 -ATOM 1067 Cx BOT 1 2 11.666 26.232 3.350 0.00 1.00 -ATOM 1068 Cy BOT 1 2 11.666 26.232 6.700 0.00 1.00 -ATOM 1069 Cz BOT 1 2 10.438 28.359 0.000 0.00 1.00 -ATOM 1070 C10 BOT 1 2 10.438 28.359 3.350 0.00 1.00 -ATOM 1071 C11 BOT 1 2 10.438 28.359 6.700 0.00 1.00 -ATOM 1072 C12 BOT 1 2 9.210 0.709 0.000 0.00 1.00 -ATOM 1073 C13 BOT 1 2 9.210 0.709 3.350 0.00 1.00 -ATOM 1074 C14 BOT 1 2 9.210 0.709 6.700 0.00 1.00 -ATOM 1075 C15 BOT 1 2 7.982 2.836 0.000 0.00 1.00 -ATOM 1076 C16 BOT 1 2 7.982 2.836 3.350 0.00 1.00 -ATOM 1077 C17 BOT 1 2 7.982 2.836 6.700 0.00 1.00 -ATOM 1078 C18 BOT 1 2 6.754 4.963 0.000 0.00 1.00 -ATOM 1079 C19 BOT 1 2 6.754 4.963 3.350 0.00 1.00 -ATOM 1080 C1A BOT 1 2 6.754 4.963 6.700 0.00 1.00 -ATOM 1081 C1B BOT 1 2 5.526 7.090 0.000 0.00 1.00 -ATOM 1082 C1C BOT 1 2 5.526 7.090 3.350 0.00 1.00 -ATOM 1083 C1D BOT 1 2 5.526 7.090 6.700 0.00 1.00 -ATOM 1084 C1E BOT 1 2 4.298 9.217 0.000 0.00 1.00 -ATOM 1085 C1F BOT 1 2 4.298 9.217 3.350 0.00 1.00 -ATOM 1086 C1G BOT 1 2 4.298 9.217 6.700 0.00 1.00 -ATOM 1087 C1H BOT 1 2 3.070 11.344 0.000 0.00 1.00 -ATOM 1088 C1I BOT 1 2 3.070 11.344 3.350 0.00 1.00 -ATOM 1089 C1J BOT 1 2 3.070 11.344 6.700 0.00 1.00 -ATOM 1090 C1K BOT 1 2 1.842 13.471 0.000 0.00 1.00 -ATOM 1091 C1L BOT 1 2 1.842 13.471 3.350 0.00 1.00 -ATOM 1092 C1M BOT 1 2 1.842 13.471 6.700 0.00 1.00 -ATOM 1093 C1N BOT 1 2 20.262 15.597 0.000 0.00 1.00 -ATOM 1094 C1O BOT 1 2 20.262 15.597 3.350 0.00 1.00 -ATOM 1095 C1P BOT 1 2 20.262 15.597 6.700 0.00 1.00 -ATOM 1096 C1Q BOT 1 2 19.034 17.724 0.000 0.00 1.00 -ATOM 1097 C1R BOT 1 2 19.034 17.724 3.350 0.00 1.00 -ATOM 1098 C1S BOT 1 2 19.034 17.724 6.700 0.00 1.00 -ATOM 1099 C1T BOT 1 2 17.806 19.851 0.000 0.00 1.00 -ATOM 1100 C1U BOT 1 2 17.806 19.851 3.350 0.00 1.00 -ATOM 1101 C1V BOT 1 2 17.806 19.851 6.700 0.00 1.00 -ATOM 1102 C1W BOT 1 2 16.578 21.978 0.000 0.00 1.00 -ATOM 1103 C1X BOT 1 2 16.578 21.978 3.350 0.00 1.00 -ATOM 1104 C1Y BOT 1 2 16.578 21.978 6.700 0.00 1.00 -ATOM 1105 C1Z BOT 1 2 15.350 24.105 0.000 0.00 1.00 -ATOM 1106 C1a BOT 1 2 15.350 24.105 3.350 0.00 1.00 -ATOM 1107 C1b BOT 1 2 15.350 24.105 6.700 0.00 1.00 -ATOM 1108 C1c BOT 1 2 14.122 26.232 0.000 0.00 1.00 -ATOM 1109 C1d BOT 1 2 14.122 26.232 3.350 0.00 1.00 -ATOM 1110 C1e BOT 1 2 14.122 26.232 6.700 0.00 1.00 -ATOM 1111 C1f BOT 1 2 12.894 28.359 0.000 0.00 1.00 -ATOM 1112 C1g BOT 1 2 12.894 28.359 3.350 0.00 1.00 -ATOM 1113 C1h BOT 1 2 12.894 28.359 6.700 0.00 1.00 -ATOM 1114 C1i BOT 1 2 11.666 0.709 0.000 0.00 1.00 -ATOM 1115 C1j BOT 1 2 11.666 0.709 3.350 0.00 1.00 -ATOM 1116 C1k BOT 1 2 11.666 0.709 6.700 0.00 1.00 -ATOM 1117 C1l BOT 1 2 10.438 2.836 0.000 0.00 1.00 -ATOM 1118 C1m BOT 1 2 10.438 2.836 3.350 0.00 1.00 -ATOM 1119 C1n BOT 1 2 10.438 2.836 6.700 0.00 1.00 -ATOM 1120 C1o BOT 1 2 9.210 4.963 0.000 0.00 1.00 -ATOM 1121 C1p BOT 1 2 9.210 4.963 3.350 0.00 1.00 -ATOM 1122 C1q BOT 1 2 9.210 4.963 6.700 0.00 1.00 -ATOM 1123 C1r BOT 1 2 7.982 7.090 0.000 0.00 1.00 -ATOM 1124 C1s BOT 1 2 7.982 7.090 3.350 0.00 1.00 -ATOM 1125 C1t BOT 1 2 7.982 7.090 6.700 0.00 1.00 -ATOM 1126 C1u BOT 1 2 6.754 9.217 0.000 0.00 1.00 -ATOM 1127 C1v BOT 1 2 6.754 9.217 3.350 0.00 1.00 -ATOM 1128 C1w BOT 1 2 6.754 9.217 6.700 0.00 1.00 -ATOM 1129 C1x BOT 1 2 5.526 11.344 0.000 0.00 1.00 -ATOM 1130 C1y BOT 1 2 5.526 11.344 3.350 0.00 1.00 -ATOM 1131 C1z BOT 1 2 5.526 11.344 6.700 0.00 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0.00 1.00 -ATOM 1151 C2J BOT 1 2 16.578 26.232 3.350 0.00 1.00 -ATOM 1152 C2K BOT 1 2 16.578 26.232 6.700 0.00 1.00 -ATOM 1153 C2L BOT 1 2 15.350 28.359 0.000 0.00 1.00 -ATOM 1154 C2M BOT 1 2 15.350 28.359 3.350 0.00 1.00 -ATOM 1155 C2N BOT 1 2 15.350 28.359 6.700 0.00 1.00 -ATOM 1156 C2O BOT 1 2 14.122 0.709 0.000 0.00 1.00 -ATOM 1157 C2P BOT 1 2 14.122 0.709 3.350 0.00 1.00 -ATOM 1158 C2Q BOT 1 2 14.122 0.709 6.700 0.00 1.00 -ATOM 1159 C2R BOT 1 2 12.894 2.836 0.000 0.00 1.00 -ATOM 1160 C2S BOT 1 2 12.894 2.836 3.350 0.00 1.00 -ATOM 1161 C2T BOT 1 2 12.894 2.836 6.700 0.00 1.00 -ATOM 1162 C2U BOT 1 2 11.666 4.963 0.000 0.00 1.00 -ATOM 1163 C2V BOT 1 2 11.666 4.963 3.350 0.00 1.00 -ATOM 1164 C2W BOT 1 2 11.666 4.963 6.700 0.00 1.00 -ATOM 1165 C2X BOT 1 2 10.438 7.090 0.000 0.00 1.00 -ATOM 1166 C2Y BOT 1 2 10.438 7.090 3.350 0.00 1.00 -ATOM 1167 C2Z BOT 1 2 10.438 7.090 6.700 0.00 1.00 -ATOM 1168 C2a BOT 1 2 9.210 9.217 0.000 0.00 1.00 -ATOM 1169 C2b BOT 1 2 9.210 9.217 3.350 0.00 1.00 -ATOM 1170 C2c BOT 1 2 9.210 9.217 6.700 0.00 1.00 -ATOM 1171 C2d BOT 1 2 7.982 11.344 0.000 0.00 1.00 -ATOM 1172 C2e BOT 1 2 7.982 11.344 3.350 0.00 1.00 -ATOM 1173 C2f BOT 1 2 7.982 11.344 6.700 0.00 1.00 -ATOM 1174 C2g BOT 1 2 6.754 13.471 0.000 0.00 1.00 -ATOM 1175 C2h BOT 1 2 6.754 13.471 3.350 0.00 1.00 -ATOM 1176 C2i BOT 1 2 6.754 13.471 6.700 0.00 1.00 -ATOM 1177 C2j BOT 1 2 25.174 15.597 0.000 0.00 1.00 -ATOM 1178 C2k BOT 1 2 25.174 15.597 3.350 0.00 1.00 -ATOM 1179 C2l BOT 1 2 25.174 15.597 6.700 0.00 1.00 -ATOM 1180 C2m BOT 1 2 23.946 17.724 0.000 0.00 1.00 -ATOM 1181 C2n BOT 1 2 23.946 17.724 3.350 0.00 1.00 -ATOM 1182 C2o BOT 1 2 23.946 17.724 6.700 0.00 1.00 -ATOM 1183 C2p BOT 1 2 22.718 19.851 0.000 0.00 1.00 -ATOM 1184 C2q BOT 1 2 22.718 19.851 3.350 0.00 1.00 -ATOM 1185 C2r BOT 1 2 22.718 19.851 6.700 0.00 1.00 -ATOM 1186 C2s BOT 1 2 21.490 21.978 0.000 0.00 1.00 -ATOM 1187 C2t BOT 1 2 21.490 21.978 3.350 0.00 1.00 -ATOM 1188 C2u BOT 1 2 21.490 21.978 6.700 0.00 1.00 -ATOM 1189 C2v BOT 1 2 20.262 24.105 0.000 0.00 1.00 -ATOM 1190 C2w BOT 1 2 20.262 24.105 3.350 0.00 1.00 -ATOM 1191 C2x BOT 1 2 20.262 24.105 6.700 0.00 1.00 -ATOM 1192 C2y BOT 1 2 19.034 26.232 0.000 0.00 1.00 -ATOM 1193 C2z BOT 1 2 19.034 26.232 3.350 0.00 1.00 -ATOM 1194 C30 BOT 1 2 19.034 26.232 6.700 0.00 1.00 -ATOM 1195 C31 BOT 1 2 17.806 28.359 0.000 0.00 1.00 -ATOM 1196 C32 BOT 1 2 17.806 28.359 3.350 0.00 1.00 -ATOM 1197 C33 BOT 1 2 17.806 28.359 6.700 0.00 1.00 -ATOM 1198 C34 BOT 1 2 16.578 0.709 0.000 0.00 1.00 -ATOM 1199 C35 BOT 1 2 16.578 0.709 3.350 0.00 1.00 -ATOM 1200 C36 BOT 1 2 16.578 0.709 6.700 0.00 1.00 -ATOM 1201 C37 BOT 1 2 15.350 2.836 0.000 0.00 1.00 -ATOM 1202 C38 BOT 1 2 15.350 2.836 3.350 0.00 1.00 -ATOM 1203 C39 BOT 1 2 15.350 2.836 6.700 0.00 1.00 -ATOM 1204 C3A BOT 1 2 14.122 4.963 0.000 0.00 1.00 -ATOM 1205 C3B BOT 1 2 14.122 4.963 3.350 0.00 1.00 -ATOM 1206 C3C BOT 1 2 14.122 4.963 6.700 0.00 1.00 -ATOM 1207 C3D BOT 1 2 12.894 7.090 0.000 0.00 1.00 -ATOM 1208 C3E BOT 1 2 12.894 7.090 3.350 0.00 1.00 -ATOM 1209 C3F BOT 1 2 12.894 7.090 6.700 0.00 1.00 -ATOM 1210 C3G BOT 1 2 11.666 9.217 0.000 0.00 1.00 -ATOM 1211 C3H BOT 1 2 11.666 9.217 3.350 0.00 1.00 -ATOM 1212 C3I BOT 1 2 11.666 9.217 6.700 0.00 1.00 -ATOM 1213 C3J BOT 1 2 10.438 11.344 0.000 0.00 1.00 -ATOM 1214 C3K BOT 1 2 10.438 11.344 3.350 0.00 1.00 -ATOM 1215 C3L BOT 1 2 10.438 11.344 6.700 0.00 1.00 -ATOM 1216 C3M BOT 1 2 9.210 13.471 0.000 0.00 1.00 -ATOM 1217 C3N BOT 1 2 9.210 13.471 3.350 0.00 1.00 -ATOM 1218 C3O BOT 1 2 9.210 13.471 6.700 0.00 1.00 -ATOM 1219 C3P BOT 1 2 27.630 15.597 0.000 0.00 1.00 -ATOM 1220 C3Q BOT 1 2 27.630 15.597 3.350 0.00 1.00 -ATOM 1221 C3R BOT 1 2 27.630 15.597 6.700 0.00 1.00 -ATOM 1222 C3S BOT 1 2 26.402 17.724 0.000 0.00 1.00 -ATOM 1223 C3T BOT 1 2 26.402 17.724 3.350 0.00 1.00 -ATOM 1224 C3U BOT 1 2 26.402 17.724 6.700 0.00 1.00 -ATOM 1225 C3V BOT 1 2 25.174 19.851 0.000 0.00 1.00 -ATOM 1226 C3W BOT 1 2 25.174 19.851 3.350 0.00 1.00 -ATOM 1227 C3X BOT 1 2 25.174 19.851 6.700 0.00 1.00 -ATOM 1228 C3Y BOT 1 2 23.946 21.978 0.000 0.00 1.00 -ATOM 1229 C3Z BOT 1 2 23.946 21.978 3.350 0.00 1.00 -ATOM 1230 C3a BOT 1 2 23.946 21.978 6.700 0.00 1.00 -ATOM 1231 C3b BOT 1 2 22.718 24.105 0.000 0.00 1.00 -ATOM 1232 C3c BOT 1 2 22.718 24.105 3.350 0.00 1.00 -ATOM 1233 C3d BOT 1 2 22.718 24.105 6.700 0.00 1.00 -ATOM 1234 C3e BOT 1 2 21.490 26.232 0.000 0.00 1.00 -ATOM 1235 C3f BOT 1 2 21.490 26.232 3.350 0.00 1.00 -ATOM 1236 C3g BOT 1 2 21.490 26.232 6.700 0.00 1.00 -ATOM 1237 C3h BOT 1 2 20.262 28.359 0.000 0.00 1.00 -ATOM 1238 C3i BOT 1 2 20.262 28.359 3.350 0.00 1.00 -ATOM 1239 C3j BOT 1 2 20.262 28.359 6.700 0.00 1.00 -ATOM 1240 C3k BOT 1 2 19.034 0.709 0.000 0.00 1.00 -ATOM 1241 C3l BOT 1 2 19.034 0.709 3.350 0.00 1.00 -ATOM 1242 C3m BOT 1 2 19.034 0.709 6.700 0.00 1.00 -ATOM 1243 C3n BOT 1 2 17.806 2.836 0.000 0.00 1.00 -ATOM 1244 C3o BOT 1 2 17.806 2.836 3.350 0.00 1.00 -ATOM 1245 C3p BOT 1 2 17.806 2.836 6.700 0.00 1.00 -ATOM 1246 C3q BOT 1 2 16.578 4.963 0.000 0.00 1.00 -ATOM 1247 C3r BOT 1 2 16.578 4.963 3.350 0.00 1.00 -ATOM 1248 C3s BOT 1 2 16.578 4.963 6.700 0.00 1.00 -ATOM 1249 C3t BOT 1 2 15.350 7.090 0.000 0.00 1.00 -ATOM 1250 C3u BOT 1 2 15.350 7.090 3.350 0.00 1.00 -ATOM 1251 C3v BOT 1 2 15.350 7.090 6.700 0.00 1.00 -ATOM 1252 C3w BOT 1 2 14.122 9.217 0.000 0.00 1.00 -ATOM 1253 C3x BOT 1 2 14.122 9.217 3.350 0.00 1.00 -ATOM 1254 C3y BOT 1 2 14.122 9.217 6.700 0.00 1.00 -ATOM 1255 C3z BOT 1 2 12.894 11.344 0.000 0.00 1.00 -ATOM 1256 C40 BOT 1 2 12.894 11.344 3.350 0.00 1.00 -ATOM 1257 C41 BOT 1 2 12.894 11.344 6.700 0.00 1.00 -ATOM 1258 C42 BOT 1 2 11.666 13.471 0.000 0.00 1.00 -ATOM 1259 C43 BOT 1 2 11.666 13.471 3.350 0.00 1.00 -ATOM 1260 C44 BOT 1 2 11.666 13.471 6.700 0.00 1.00 -ATOM 1261 C45 BOT 1 2 0.614 15.597 0.000 0.00 1.00 -ATOM 1262 C46 BOT 1 2 0.614 15.597 3.350 0.00 1.00 -ATOM 1263 C47 BOT 1 2 0.614 15.597 6.700 0.00 1.00 -ATOM 1264 C48 BOT 1 2 28.858 17.724 0.000 0.00 1.00 -ATOM 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C9h BOT 1 2 16.578 24.814 0.000 0.00 1.00 -ATOM 1610 C9i BOT 1 2 16.578 24.814 3.350 0.00 1.00 -ATOM 1611 C9j BOT 1 2 16.578 24.814 6.700 0.00 1.00 -ATOM 1612 C9k BOT 1 2 15.350 26.941 0.000 0.00 1.00 -ATOM 1613 C9l BOT 1 2 15.350 26.941 3.350 0.00 1.00 -ATOM 1614 C9m BOT 1 2 15.350 26.941 6.700 0.00 1.00 -ATOM 1615 C9n BOT 1 2 14.122 29.068 0.000 0.00 1.00 -ATOM 1616 C9o BOT 1 2 14.122 29.068 3.350 0.00 1.00 -ATOM 1617 C9p BOT 1 2 14.122 29.068 6.700 0.00 1.00 -ATOM 1618 C9q BOT 1 2 12.894 1.418 0.000 0.00 1.00 -ATOM 1619 C9r BOT 1 2 12.894 1.418 3.350 0.00 1.00 -ATOM 1620 C9s BOT 1 2 12.894 1.418 6.700 0.00 1.00 -ATOM 1621 C9t BOT 1 2 11.666 3.545 0.000 0.00 1.00 -ATOM 1622 C9u BOT 1 2 11.666 3.545 3.350 0.00 1.00 -ATOM 1623 C9v BOT 1 2 11.666 3.545 6.700 0.00 1.00 -ATOM 1624 C9w BOT 1 2 10.438 5.672 0.000 0.00 1.00 -ATOM 1625 C9x BOT 1 2 10.438 5.672 3.350 0.00 1.00 -ATOM 1626 C9y BOT 1 2 10.438 5.672 6.700 0.00 1.00 -ATOM 1627 C9z BOT 1 2 9.210 7.799 0.000 0.00 1.00 -ATOM 1628 CA0 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21.490 20.560 6.700 0.00 1.00 -ATOM 1648 CAK BOT 1 2 20.262 22.687 0.000 0.00 1.00 -ATOM 1649 CAL BOT 1 2 20.262 22.687 3.350 0.00 1.00 -ATOM 1650 CAM BOT 1 2 20.262 22.687 6.700 0.00 1.00 -ATOM 1651 CAN BOT 1 2 19.034 24.814 0.000 0.00 1.00 -ATOM 1652 CAO BOT 1 2 19.034 24.814 3.350 0.00 1.00 -ATOM 1653 CAP BOT 1 2 19.034 24.814 6.700 0.00 1.00 -ATOM 1654 CAQ BOT 1 2 17.806 26.941 0.000 0.00 1.00 -ATOM 1655 CAR BOT 1 2 17.806 26.941 3.350 0.00 1.00 -ATOM 1656 CAS BOT 1 2 17.806 26.941 6.700 0.00 1.00 -ATOM 1657 CAT BOT 1 2 16.578 29.068 0.000 0.00 1.00 -ATOM 1658 CAU BOT 1 2 16.578 29.068 3.350 0.00 1.00 -ATOM 1659 CAV BOT 1 2 16.578 29.068 6.700 0.00 1.00 -ATOM 1660 CAW BOT 1 2 15.350 1.418 0.000 0.00 1.00 -ATOM 1661 CAX BOT 1 2 15.350 1.418 3.350 0.00 1.00 -ATOM 1662 CAY BOT 1 2 15.350 1.418 6.700 0.00 1.00 -ATOM 1663 CAZ BOT 1 2 14.122 3.545 0.000 0.00 1.00 -ATOM 1664 CAa BOT 1 2 14.122 3.545 3.350 0.00 1.00 -ATOM 1665 CAb BOT 1 2 14.122 3.545 6.700 0.00 1.00 -ATOM 1666 CAc BOT 1 2 12.894 5.672 0.000 0.00 1.00 -ATOM 1667 CAd BOT 1 2 12.894 5.672 3.350 0.00 1.00 -ATOM 1668 CAe BOT 1 2 12.894 5.672 6.700 0.00 1.00 -ATOM 1669 CAf BOT 1 2 11.666 7.799 0.000 0.00 1.00 -ATOM 1670 CAg BOT 1 2 11.666 7.799 3.350 0.00 1.00 -ATOM 1671 CAh BOT 1 2 11.666 7.799 6.700 0.00 1.00 -ATOM 1672 CAi BOT 1 2 10.438 9.926 0.000 0.00 1.00 -ATOM 1673 CAj BOT 1 2 10.438 9.926 3.350 0.00 1.00 -ATOM 1674 CAk BOT 1 2 10.438 9.926 6.700 0.00 1.00 -ATOM 1675 CAl BOT 1 2 9.210 12.053 0.000 0.00 1.00 -ATOM 1676 CAm BOT 1 2 9.210 12.053 3.350 0.00 1.00 -ATOM 1677 CAn BOT 1 2 9.210 12.053 6.700 0.00 1.00 -ATOM 1678 CAo BOT 1 2 7.982 14.180 0.000 0.00 1.00 -ATOM 1679 CAp BOT 1 2 7.982 14.180 3.350 0.00 1.00 -ATOM 1680 CAq BOT 1 2 7.982 14.180 6.700 0.00 1.00 -ATOM 1681 CAr BOT 1 2 26.402 16.306 0.000 0.00 1.00 -ATOM 1682 CAs BOT 1 2 26.402 16.306 3.350 0.00 1.00 -ATOM 1683 CAt BOT 1 2 26.402 16.306 6.700 0.00 1.00 -ATOM 1684 CAu BOT 1 2 25.174 18.433 0.000 0.00 1.00 -ATOM 1685 CAv BOT 1 2 25.174 18.433 3.350 0.00 1.00 -ATOM 1686 CAw BOT 1 2 25.174 18.433 6.700 0.00 1.00 -ATOM 1687 CAx BOT 1 2 23.946 20.560 0.000 0.00 1.00 -ATOM 1688 CAy BOT 1 2 23.946 20.560 3.350 0.00 1.00 -ATOM 1689 CAz BOT 1 2 23.946 20.560 6.700 0.00 1.00 -ATOM 1690 CB0 BOT 1 2 22.718 22.687 0.000 0.00 1.00 -ATOM 1691 CB1 BOT 1 2 22.718 22.687 3.350 0.00 1.00 -ATOM 1692 CB2 BOT 1 2 22.718 22.687 6.700 0.00 1.00 -ATOM 1693 CB3 BOT 1 2 21.490 24.814 0.000 0.00 1.00 -ATOM 1694 CB4 BOT 1 2 21.490 24.814 3.350 0.00 1.00 -ATOM 1695 CB5 BOT 1 2 21.490 24.814 6.700 0.00 1.00 -ATOM 1696 CB6 BOT 1 2 20.262 26.941 0.000 0.00 1.00 -ATOM 1697 CB7 BOT 1 2 20.262 26.941 3.350 0.00 1.00 -ATOM 1698 CB8 BOT 1 2 20.262 26.941 6.700 0.00 1.00 -ATOM 1699 CB9 BOT 1 2 19.034 29.068 0.000 0.00 1.00 -ATOM 1700 CBA BOT 1 2 19.034 29.068 3.350 0.00 1.00 -ATOM 1701 CBB BOT 1 2 19.034 29.068 6.700 0.00 1.00 -ATOM 1702 CBC BOT 1 2 17.806 1.418 0.000 0.00 1.00 -ATOM 1703 CBD BOT 1 2 17.806 1.418 3.350 0.00 1.00 -ATOM 1704 CBE BOT 1 2 17.806 1.418 6.700 0.00 1.00 -ATOM 1705 CBF BOT 1 2 16.578 3.545 0.000 0.00 1.00 -ATOM 1706 CBG BOT 1 2 16.578 3.545 3.350 0.00 1.00 -ATOM 1707 CBH BOT 1 2 16.578 3.545 6.700 0.00 1.00 -ATOM 1708 CBI BOT 1 2 15.350 5.672 0.000 0.00 1.00 -ATOM 1709 CBJ BOT 1 2 15.350 5.672 3.350 0.00 1.00 -ATOM 1710 CBK BOT 1 2 15.350 5.672 6.700 0.00 1.00 -ATOM 1711 CBL BOT 1 2 14.122 7.799 0.000 0.00 1.00 -ATOM 1712 CBM BOT 1 2 14.122 7.799 3.350 0.00 1.00 -ATOM 1713 CBN BOT 1 2 14.122 7.799 6.700 0.00 1.00 -ATOM 1714 CBO BOT 1 2 12.894 9.926 0.000 0.00 1.00 -ATOM 1715 CBP BOT 1 2 12.894 9.926 3.350 0.00 1.00 -ATOM 1716 CBQ BOT 1 2 12.894 9.926 6.700 0.00 1.00 -ATOM 1717 CBR BOT 1 2 11.666 12.053 0.000 0.00 1.00 -ATOM 1718 CBS BOT 1 2 11.666 12.053 3.350 0.00 1.00 -ATOM 1719 CBT BOT 1 2 11.666 12.053 6.700 0.00 1.00 -ATOM 1720 CBU BOT 1 2 10.438 14.180 0.000 0.00 1.00 -ATOM 1721 CBV BOT 1 2 10.438 14.180 3.350 0.00 1.00 -ATOM 1722 CBW BOT 1 2 10.438 14.180 6.700 0.00 1.00 -ATOM 1723 CBX BOT 1 2 28.858 16.306 0.000 0.00 1.00 -ATOM 1724 CBY BOT 1 2 28.858 16.306 3.350 0.00 1.00 -ATOM 1725 CBZ BOT 1 2 28.858 16.306 6.700 0.00 1.00 -ATOM 1726 CBa BOT 1 2 27.630 18.433 0.000 0.00 1.00 -ATOM 1727 CBb BOT 1 2 27.630 18.433 3.350 0.00 1.00 -ATOM 1728 CBc BOT 1 2 27.630 18.433 6.700 0.00 1.00 -ATOM 1729 CBd BOT 1 2 26.402 20.560 0.000 0.00 1.00 -ATOM 1730 CBe BOT 1 2 26.402 20.560 3.350 0.00 1.00 -ATOM 1731 CBf BOT 1 2 26.402 20.560 6.700 0.00 1.00 -ATOM 1732 CBg BOT 1 2 25.174 22.687 0.000 0.00 1.00 -ATOM 1733 CBh BOT 1 2 25.174 22.687 3.350 0.00 1.00 -ATOM 1734 CBi BOT 1 2 25.174 22.687 6.700 0.00 1.00 -ATOM 1735 CBj BOT 1 2 23.946 24.814 0.000 0.00 1.00 -ATOM 1736 CBk BOT 1 2 23.946 24.814 3.350 0.00 1.00 -ATOM 1737 CBl BOT 1 2 23.946 24.814 6.700 0.00 1.00 -ATOM 1738 CBm BOT 1 2 22.718 26.941 0.000 0.00 1.00 -ATOM 1739 CBn BOT 1 2 22.718 26.941 3.350 0.00 1.00 -ATOM 1740 CBo BOT 1 2 22.718 26.941 6.700 0.00 1.00 -ATOM 1741 CBp BOT 1 2 21.490 29.068 0.000 0.00 1.00 -ATOM 1742 CBq BOT 1 2 21.490 29.068 3.350 0.00 1.00 -ATOM 1743 CBr BOT 1 2 21.490 29.068 6.700 0.00 1.00 -ATOM 1744 CBs BOT 1 2 20.262 1.418 0.000 0.00 1.00 -ATOM 1745 CBt BOT 1 2 20.262 1.418 3.350 0.00 1.00 -ATOM 1746 CBu BOT 1 2 20.262 1.418 6.700 0.00 1.00 -ATOM 1747 CBv BOT 1 2 19.034 3.545 0.000 0.00 1.00 -ATOM 1748 CBw BOT 1 2 19.034 3.545 3.350 0.00 1.00 -ATOM 1749 CBx BOT 1 2 19.034 3.545 6.700 0.00 1.00 -ATOM 1750 CBy BOT 1 2 17.806 5.672 0.000 0.00 1.00 -ATOM 1751 CBz BOT 1 2 17.806 5.672 3.350 0.00 1.00 -ATOM 1752 CC0 BOT 1 2 17.806 5.672 6.700 0.00 1.00 -ATOM 1753 CC1 BOT 1 2 16.578 7.799 0.000 0.00 1.00 -ATOM 1754 CC2 BOT 1 2 16.578 7.799 3.350 0.00 1.00 -ATOM 1755 CC3 BOT 1 2 16.578 7.799 6.700 0.00 1.00 -ATOM 1756 CC4 BOT 1 2 15.350 9.926 0.000 0.00 1.00 -ATOM 1757 CC5 BOT 1 2 15.350 9.926 3.350 0.00 1.00 -ATOM 1758 CC6 BOT 1 2 15.350 9.926 6.700 0.00 1.00 -ATOM 1759 CC7 BOT 1 2 14.122 12.053 0.000 0.00 1.00 -ATOM 1760 CC8 BOT 1 2 14.122 12.053 3.350 0.00 1.00 -ATOM 1761 CC9 BOT 1 2 14.122 12.053 6.700 0.00 1.00 -ATOM 1762 CCA BOT 1 2 12.894 14.180 0.000 0.00 1.00 -ATOM 1763 CCB BOT 1 2 12.894 14.180 3.350 0.00 1.00 -ATOM 1764 CCC BOT 1 2 12.894 14.180 6.700 0.00 1.00 -ATOM 1765 CCD BOT 1 2 1.842 16.306 0.000 0.00 1.00 -ATOM 1766 CCE BOT 1 2 1.842 16.306 3.350 0.00 1.00 -ATOM 1767 CCF BOT 1 2 1.842 16.306 6.700 0.00 1.00 -ATOM 1768 CCG BOT 1 2 0.614 18.433 0.000 0.00 1.00 -ATOM 1769 CCH BOT 1 2 0.614 18.433 3.350 0.00 1.00 -ATOM 1770 CCI BOT 1 2 0.614 18.433 6.700 0.00 1.00 -ATOM 1771 CCJ BOT 1 2 28.858 20.560 0.000 0.00 1.00 -ATOM 1772 CCK BOT 1 2 28.858 20.560 3.350 0.00 1.00 -ATOM 1773 CCL BOT 1 2 28.858 20.560 6.700 0.00 1.00 -ATOM 1774 CCM BOT 1 2 27.630 22.687 0.000 0.00 1.00 -ATOM 1775 CCN BOT 1 2 27.630 22.687 3.350 0.00 1.00 -ATOM 1776 CCO BOT 1 2 27.630 22.687 6.700 0.00 1.00 -ATOM 1777 CCP BOT 1 2 26.402 24.814 0.000 0.00 1.00 -ATOM 1778 CCQ BOT 1 2 26.402 24.814 3.350 0.00 1.00 -ATOM 1779 CCR BOT 1 2 26.402 24.814 6.700 0.00 1.00 -ATOM 1780 CCS BOT 1 2 25.174 26.941 0.000 0.00 1.00 -ATOM 1781 CCT BOT 1 2 25.174 26.941 3.350 0.00 1.00 -ATOM 1782 CCU BOT 1 2 25.174 26.941 6.700 0.00 1.00 -ATOM 1783 CCV BOT 1 2 23.946 29.068 0.000 0.00 1.00 -ATOM 1784 CCW BOT 1 2 23.946 29.068 3.350 0.00 1.00 -ATOM 1785 CCX BOT 1 2 23.946 29.068 6.700 0.00 1.00 -ATOM 1786 CCY BOT 1 2 22.718 1.418 0.000 0.00 1.00 -ATOM 1787 CCZ BOT 1 2 22.718 1.418 3.350 0.00 1.00 -ATOM 1788 CCa BOT 1 2 22.718 1.418 6.700 0.00 1.00 -ATOM 1789 CCb BOT 1 2 21.490 3.545 0.000 0.00 1.00 -ATOM 1790 CCc BOT 1 2 21.490 3.545 3.350 0.00 1.00 -ATOM 1791 CCd BOT 1 2 21.490 3.545 6.700 0.00 1.00 -ATOM 1792 CCe BOT 1 2 20.262 5.672 0.000 0.00 1.00 -ATOM 1793 CCf BOT 1 2 20.262 5.672 3.350 0.00 1.00 -ATOM 1794 CCg BOT 1 2 20.262 5.672 6.700 0.00 1.00 -ATOM 1795 CCh BOT 1 2 19.034 7.799 0.000 0.00 1.00 -ATOM 1796 CCi BOT 1 2 19.034 7.799 3.350 0.00 1.00 -ATOM 1797 CCj BOT 1 2 19.034 7.799 6.700 0.00 1.00 -ATOM 1798 CCk BOT 1 2 17.806 9.926 0.000 0.00 1.00 -ATOM 1799 CCl BOT 1 2 17.806 9.926 3.350 0.00 1.00 -ATOM 1800 CCm BOT 1 2 17.806 9.926 6.700 0.00 1.00 -ATOM 1801 CCn BOT 1 2 16.578 12.053 0.000 0.00 1.00 -ATOM 1802 CCo BOT 1 2 16.578 12.053 3.350 0.00 1.00 -ATOM 1803 CCp BOT 1 2 16.578 12.053 6.700 0.00 1.00 -ATOM 1804 CCq BOT 1 2 15.350 14.180 0.000 0.00 1.00 -ATOM 1805 CCr BOT 1 2 15.350 14.180 3.350 0.00 1.00 -ATOM 1806 CCs BOT 1 2 15.350 14.180 6.700 0.00 1.00 -ATOM 1807 CCt BOT 1 2 4.298 16.306 0.000 0.00 1.00 -ATOM 1808 CCu BOT 1 2 4.298 16.306 3.350 0.00 1.00 -ATOM 1809 CCv BOT 1 2 4.298 16.306 6.700 0.00 1.00 -ATOM 1810 CCw BOT 1 2 3.070 18.433 0.000 0.00 1.00 -ATOM 1811 CCx BOT 1 2 3.070 18.433 3.350 0.00 1.00 -ATOM 1812 CCy BOT 1 2 3.070 18.433 6.700 0.00 1.00 -ATOM 1813 CCz BOT 1 2 1.842 20.560 0.000 0.00 1.00 -ATOM 1814 CD0 BOT 1 2 1.842 20.560 3.350 0.00 1.00 -ATOM 1815 CD1 BOT 1 2 1.842 20.560 6.700 0.00 1.00 -ATOM 1816 CD2 BOT 1 2 0.614 22.687 0.000 0.00 1.00 -ATOM 1817 CD3 BOT 1 2 0.614 22.687 3.350 0.00 1.00 -ATOM 1818 CD4 BOT 1 2 0.614 22.687 6.700 0.00 1.00 -ATOM 1819 CD5 BOT 1 2 28.858 24.814 0.000 0.00 1.00 -ATOM 1820 CD6 BOT 1 2 28.858 24.814 3.350 0.00 1.00 -ATOM 1821 CD7 BOT 1 2 28.858 24.814 6.700 0.00 1.00 -ATOM 1822 CD8 BOT 1 2 27.630 26.941 0.000 0.00 1.00 -ATOM 1823 CD9 BOT 1 2 27.630 26.941 3.350 0.00 1.00 -ATOM 1824 CDA BOT 1 2 27.630 26.941 6.700 0.00 1.00 -ATOM 1825 CDB BOT 1 2 26.402 29.068 0.000 0.00 1.00 -ATOM 1826 CDC BOT 1 2 26.402 29.068 3.350 0.00 1.00 -ATOM 1827 CDD BOT 1 2 26.402 29.068 6.700 0.00 1.00 -ATOM 1828 CDE BOT 1 2 25.174 1.418 0.000 0.00 1.00 -ATOM 1829 CDF BOT 1 2 25.174 1.418 3.350 0.00 1.00 -ATOM 1830 CDG BOT 1 2 25.174 1.418 6.700 0.00 1.00 -ATOM 1831 CDH BOT 1 2 23.946 3.545 0.000 0.00 1.00 -ATOM 1832 CDI BOT 1 2 23.946 3.545 3.350 0.00 1.00 -ATOM 1833 CDJ BOT 1 2 23.946 3.545 6.700 0.00 1.00 -ATOM 1834 CDK BOT 1 2 22.718 5.672 0.000 0.00 1.00 -ATOM 1835 CDL BOT 1 2 22.718 5.672 3.350 0.00 1.00 -ATOM 1836 CDM BOT 1 2 22.718 5.672 6.700 0.00 1.00 -ATOM 1837 CDN BOT 1 2 21.490 7.799 0.000 0.00 1.00 -ATOM 1838 CDO BOT 1 2 21.490 7.799 3.350 0.00 1.00 -ATOM 1839 CDP BOT 1 2 21.490 7.799 6.700 0.00 1.00 -ATOM 1840 CDQ BOT 1 2 20.262 9.926 0.000 0.00 1.00 -ATOM 1841 CDR BOT 1 2 20.262 9.926 3.350 0.00 1.00 -ATOM 1842 CDS BOT 1 2 20.262 9.926 6.700 0.00 1.00 -ATOM 1843 CDT BOT 1 2 19.034 12.053 0.000 0.00 1.00 -ATOM 1844 CDU BOT 1 2 19.034 12.053 3.350 0.00 1.00 -ATOM 1845 CDV BOT 1 2 19.034 12.053 6.700 0.00 1.00 -ATOM 1846 CDW BOT 1 2 17.806 14.180 0.000 0.00 1.00 -ATOM 1847 CDX BOT 1 2 17.806 14.180 3.350 0.00 1.00 -ATOM 1848 CDY BOT 1 2 17.806 14.180 6.700 0.00 1.00 -ATOM 1849 CDZ BOT 1 2 6.754 16.306 0.000 0.00 1.00 -ATOM 1850 CDa BOT 1 2 6.754 16.306 3.350 0.00 1.00 -ATOM 1851 CDb BOT 1 2 6.754 16.306 6.700 0.00 1.00 -ATOM 1852 CDc BOT 1 2 5.526 18.433 0.000 0.00 1.00 -ATOM 1853 CDd BOT 1 2 5.526 18.433 3.350 0.00 1.00 -ATOM 1854 CDe BOT 1 2 5.526 18.433 6.700 0.00 1.00 -ATOM 1855 CDf BOT 1 2 4.298 20.560 0.000 0.00 1.00 -ATOM 1856 CDg BOT 1 2 4.298 20.560 3.350 0.00 1.00 -ATOM 1857 CDh BOT 1 2 4.298 20.560 6.700 0.00 1.00 -ATOM 1858 CDi BOT 1 2 3.070 22.687 0.000 0.00 1.00 -ATOM 1859 CDj BOT 1 2 3.070 22.687 3.350 0.00 1.00 -ATOM 1860 CDk BOT 1 2 3.070 22.687 6.700 0.00 1.00 -ATOM 1861 CDl BOT 1 2 1.842 24.814 0.000 0.00 1.00 -ATOM 1862 CDm BOT 1 2 1.842 24.814 3.350 0.00 1.00 -ATOM 1863 CDn BOT 1 2 1.842 24.814 6.700 0.00 1.00 -ATOM 1864 CDo BOT 1 2 0.614 26.941 0.000 0.00 1.00 -ATOM 1865 CDp BOT 1 2 0.614 26.941 3.350 0.00 1.00 -ATOM 1866 CDq BOT 1 2 0.614 26.941 6.700 0.00 1.00 -ATOM 1867 CDr BOT 1 2 28.858 29.068 0.000 0.00 1.00 -ATOM 1868 CDs BOT 1 2 28.858 29.068 3.350 0.00 1.00 -ATOM 1869 CDt BOT 1 2 28.858 29.068 6.700 0.00 1.00 -ATOM 1870 CDu BOT 1 2 27.630 1.418 0.000 0.00 1.00 -ATOM 1871 CDv BOT 1 2 27.630 1.418 3.350 0.00 1.00 -ATOM 1872 CDw BOT 1 2 27.630 1.418 6.700 0.00 1.00 -ATOM 1873 CDx BOT 1 2 26.402 3.545 0.000 0.00 1.00 -ATOM 1874 CDy BOT 1 2 26.402 3.545 3.350 0.00 1.00 -ATOM 1875 CDz BOT 1 2 26.402 3.545 6.700 0.00 1.00 -ATOM 1876 CE0 BOT 1 2 25.174 5.672 0.000 0.00 1.00 -ATOM 1877 CE1 BOT 1 2 25.174 5.672 3.350 0.00 1.00 -ATOM 1878 CE2 BOT 1 2 25.174 5.672 6.700 0.00 1.00 -ATOM 1879 CE3 BOT 1 2 23.946 7.799 0.000 0.00 1.00 -ATOM 1880 CE4 BOT 1 2 23.946 7.799 3.350 0.00 1.00 -ATOM 1881 CE5 BOT 1 2 23.946 7.799 6.700 0.00 1.00 -ATOM 1882 CE6 BOT 1 2 22.718 9.926 0.000 0.00 1.00 -ATOM 1883 CE7 BOT 1 2 22.718 9.926 3.350 0.00 1.00 -ATOM 1884 CE8 BOT 1 2 22.718 9.926 6.700 0.00 1.00 -ATOM 1885 CE9 BOT 1 2 21.490 12.053 0.000 0.00 1.00 -ATOM 1886 CEA BOT 1 2 21.490 12.053 3.350 0.00 1.00 -ATOM 1887 CEB BOT 1 2 21.490 12.053 6.700 0.00 1.00 -ATOM 1888 CEC BOT 1 2 20.262 14.180 0.000 0.00 1.00 -ATOM 1889 CED BOT 1 2 20.262 14.180 3.350 0.00 1.00 -ATOM 1890 CEE BOT 1 2 20.262 14.180 6.700 0.00 1.00 -ATOM 1891 CEF BOT 1 2 9.210 16.306 0.000 0.00 1.00 -ATOM 1892 CEG BOT 1 2 9.210 16.306 3.350 0.00 1.00 -ATOM 1893 CEH BOT 1 2 9.210 16.306 6.700 0.00 1.00 -ATOM 1894 CEI BOT 1 2 7.982 18.433 0.000 0.00 1.00 -ATOM 1895 CEJ BOT 1 2 7.982 18.433 3.350 0.00 1.00 -ATOM 1896 CEK BOT 1 2 7.982 18.433 6.700 0.00 1.00 -ATOM 1897 CEL BOT 1 2 6.754 20.560 0.000 0.00 1.00 -ATOM 1898 CEM BOT 1 2 6.754 20.560 3.350 0.00 1.00 -ATOM 1899 CEN BOT 1 2 6.754 20.560 6.700 0.00 1.00 -ATOM 1900 CEO BOT 1 2 5.526 22.687 0.000 0.00 1.00 -ATOM 1901 CEP BOT 1 2 5.526 22.687 3.350 0.00 1.00 -ATOM 1902 CEQ BOT 1 2 5.526 22.687 6.700 0.00 1.00 -ATOM 1903 CER BOT 1 2 4.298 24.814 0.000 0.00 1.00 -ATOM 1904 CES BOT 1 2 4.298 24.814 3.350 0.00 1.00 -ATOM 1905 CET BOT 1 2 4.298 24.814 6.700 0.00 1.00 -ATOM 1906 CEU BOT 1 2 3.070 26.941 0.000 0.00 1.00 -ATOM 1907 CEV BOT 1 2 3.070 26.941 3.350 0.00 1.00 -ATOM 1908 CEW BOT 1 2 3.070 26.941 6.700 0.00 1.00 -ATOM 1909 CEX BOT 1 2 1.842 29.068 0.000 0.00 1.00 -ATOM 1910 CEY BOT 1 2 1.842 29.068 3.350 0.00 1.00 -ATOM 1911 CEZ BOT 1 2 1.842 29.068 6.700 0.00 1.00 -ATOM 1912 CEa BOT 1 2 0.614 1.418 0.000 0.00 1.00 -ATOM 1913 CEb BOT 1 2 0.614 1.418 3.350 0.00 1.00 -ATOM 1914 CEc BOT 1 2 0.614 1.418 6.700 0.00 1.00 -ATOM 1915 CEd BOT 1 2 28.858 3.545 0.000 0.00 1.00 -ATOM 1916 CEe BOT 1 2 28.858 3.545 3.350 0.00 1.00 -ATOM 1917 CEf BOT 1 2 28.858 3.545 6.700 0.00 1.00 -ATOM 1918 CEg BOT 1 2 27.630 5.672 0.000 0.00 1.00 -ATOM 1919 CEh BOT 1 2 27.630 5.672 3.350 0.00 1.00 -ATOM 1920 CEi BOT 1 2 27.630 5.672 6.700 0.00 1.00 -ATOM 1921 CEj BOT 1 2 26.402 7.799 0.000 0.00 1.00 -ATOM 1922 CEk BOT 1 2 26.402 7.799 3.350 0.00 1.00 -ATOM 1923 CEl BOT 1 2 26.402 7.799 6.700 0.00 1.00 -ATOM 1924 CEm BOT 1 2 25.174 9.926 0.000 0.00 1.00 -ATOM 1925 CEn BOT 1 2 25.174 9.926 3.350 0.00 1.00 -ATOM 1926 CEo BOT 1 2 25.174 9.926 6.700 0.00 1.00 -ATOM 1927 CEp BOT 1 2 23.946 12.053 0.000 0.00 1.00 -ATOM 1928 CEq BOT 1 2 23.946 12.053 3.350 0.00 1.00 -ATOM 1929 CEr BOT 1 2 23.946 12.053 6.700 0.00 1.00 -ATOM 1930 CEs BOT 1 2 22.718 14.180 0.000 0.00 1.00 -ATOM 1931 CEt BOT 1 2 22.718 14.180 3.350 0.00 1.00 -ATOM 1932 CEu BOT 1 2 22.718 14.180 6.700 0.00 1.00 -ATOM 1933 CEv BOT 1 2 11.666 16.306 0.000 0.00 1.00 -ATOM 1934 CEw BOT 1 2 11.666 16.306 3.350 0.00 1.00 -ATOM 1935 CEx BOT 1 2 11.666 16.306 6.700 0.00 1.00 -ATOM 1936 CEy BOT 1 2 10.438 18.433 0.000 0.00 1.00 -ATOM 1937 CEz BOT 1 2 10.438 18.433 3.350 0.00 1.00 -ATOM 1938 CF0 BOT 1 2 10.438 18.433 6.700 0.00 1.00 -ATOM 1939 CF1 BOT 1 2 9.210 20.560 0.000 0.00 1.00 -ATOM 1940 CF2 BOT 1 2 9.210 20.560 3.350 0.00 1.00 -ATOM 1941 CF3 BOT 1 2 9.210 20.560 6.700 0.00 1.00 -ATOM 1942 CF4 BOT 1 2 7.982 22.687 0.000 0.00 1.00 -ATOM 1943 CF5 BOT 1 2 7.982 22.687 3.350 0.00 1.00 -ATOM 1944 CF6 BOT 1 2 7.982 22.687 6.700 0.00 1.00 -ATOM 1945 CF7 BOT 1 2 6.754 24.814 0.000 0.00 1.00 -ATOM 1946 CF8 BOT 1 2 6.754 24.814 3.350 0.00 1.00 -ATOM 1947 CF9 BOT 1 2 6.754 24.814 6.700 0.00 1.00 -ATOM 1948 CFA BOT 1 2 5.526 26.941 0.000 0.00 1.00 -ATOM 1949 CFB BOT 1 2 5.526 26.941 3.350 0.00 1.00 -ATOM 1950 CFC BOT 1 2 5.526 26.941 6.700 0.00 1.00 -ATOM 1951 CFD BOT 1 2 4.298 29.068 0.000 0.00 1.00 -ATOM 1952 CFE BOT 1 2 4.298 29.068 3.350 0.00 1.00 -ATOM 1953 CFF BOT 1 2 4.298 29.068 6.700 0.00 1.00 -ATOM 1954 CFG BOT 1 2 3.070 1.418 0.000 0.00 1.00 -ATOM 1955 CFH BOT 1 2 3.070 1.418 3.350 0.00 1.00 -ATOM 1956 CFI BOT 1 2 3.070 1.418 6.700 0.00 1.00 -ATOM 1957 CFJ BOT 1 2 1.842 3.545 0.000 0.00 1.00 -ATOM 1958 CFK BOT 1 2 1.842 3.545 3.350 0.00 1.00 -ATOM 1959 CFL BOT 1 2 1.842 3.545 6.700 0.00 1.00 -ATOM 1960 CFM BOT 1 2 0.614 5.672 0.000 0.00 1.00 -ATOM 1961 CFN BOT 1 2 0.614 5.672 3.350 0.00 1.00 -ATOM 1962 CFO BOT 1 2 0.614 5.672 6.700 0.00 1.00 -ATOM 1963 CFP BOT 1 2 28.858 7.799 0.000 0.00 1.00 -ATOM 1964 CFQ BOT 1 2 28.858 7.799 3.350 0.00 1.00 -ATOM 1965 CFR BOT 1 2 28.858 7.799 6.700 0.00 1.00 -ATOM 1966 CFS BOT 1 2 27.630 9.926 0.000 0.00 1.00 -ATOM 1967 CFT BOT 1 2 27.630 9.926 3.350 0.00 1.00 -ATOM 1968 CFU BOT 1 2 27.630 9.926 6.700 0.00 1.00 -ATOM 1969 CFV BOT 1 2 26.402 12.053 0.000 0.00 1.00 -ATOM 1970 CFW BOT 1 2 26.402 12.053 3.350 0.00 1.00 -ATOM 1971 CFX BOT 1 2 26.402 12.053 6.700 0.00 1.00 -ATOM 1972 CFY BOT 1 2 25.174 14.180 0.000 0.00 1.00 -ATOM 1973 CFZ BOT 1 2 25.174 14.180 3.350 0.00 1.00 -ATOM 1974 CFa BOT 1 2 25.174 14.180 6.700 0.00 1.00 -ATOM 1975 CFb BOT 1 2 14.122 16.306 0.000 0.00 1.00 -ATOM 1976 CFc BOT 1 2 14.122 16.306 3.350 0.00 1.00 -ATOM 1977 CFd BOT 1 2 14.122 16.306 6.700 0.00 1.00 -ATOM 1978 CFe BOT 1 2 12.894 18.433 0.000 0.00 1.00 -ATOM 1979 CFf BOT 1 2 12.894 18.433 3.350 0.00 1.00 -ATOM 1980 CFg BOT 1 2 12.894 18.433 6.700 0.00 1.00 -ATOM 1981 CFh BOT 1 2 11.666 20.560 0.000 0.00 1.00 -ATOM 1982 CFi BOT 1 2 11.666 20.560 3.350 0.00 1.00 -ATOM 1983 CFj BOT 1 2 11.666 20.560 6.700 0.00 1.00 -ATOM 1984 CFk BOT 1 2 10.438 22.687 0.000 0.00 1.00 -ATOM 1985 CFl BOT 1 2 10.438 22.687 3.350 0.00 1.00 -ATOM 1986 CFm BOT 1 2 10.438 22.687 6.700 0.00 1.00 -ATOM 1987 CFn BOT 1 2 9.210 24.814 0.000 0.00 1.00 -ATOM 1988 CFo BOT 1 2 9.210 24.814 3.350 0.00 1.00 -ATOM 1989 CFp BOT 1 2 9.210 24.814 6.700 0.00 1.00 -ATOM 1990 CFq BOT 1 2 7.982 26.941 0.000 0.00 1.00 -ATOM 1991 CFr BOT 1 2 7.982 26.941 3.350 0.00 1.00 -ATOM 1992 CFs BOT 1 2 7.982 26.941 6.700 0.00 1.00 -ATOM 1993 CFt BOT 1 2 6.754 29.068 0.000 0.00 1.00 -ATOM 1994 CFu BOT 1 2 6.754 29.068 3.350 0.00 1.00 -ATOM 1995 CFv BOT 1 2 6.754 29.068 6.700 0.00 1.00 -ATOM 1996 CFw BOT 1 2 5.526 1.418 0.000 0.00 1.00 -ATOM 1997 CFx BOT 1 2 5.526 1.418 3.350 0.00 1.00 -ATOM 1998 CFy BOT 1 2 5.526 1.418 6.700 0.00 1.00 -ATOM 1999 CFz BOT 1 2 4.298 3.545 0.000 0.00 1.00 -ATOM 2000 CG0 BOT 1 2 4.298 3.545 3.350 0.00 1.00 -ATOM 2001 CG1 BOT 1 2 4.298 3.545 6.700 0.00 1.00 -ATOM 2002 CG2 BOT 1 2 3.070 5.672 0.000 0.00 1.00 -ATOM 2003 CG3 BOT 1 2 3.070 5.672 3.350 0.00 1.00 -ATOM 2004 CG4 BOT 1 2 3.070 5.672 6.700 0.00 1.00 -ATOM 2005 CG5 BOT 1 2 1.842 7.799 0.000 0.00 1.00 -ATOM 2006 CG6 BOT 1 2 1.842 7.799 3.350 0.00 1.00 -ATOM 2007 CG7 BOT 1 2 1.842 7.799 6.700 0.00 1.00 -ATOM 2008 CG8 BOT 1 2 0.614 9.926 0.000 0.00 1.00 -ATOM 2009 CG9 BOT 1 2 0.614 9.926 3.350 0.00 1.00 -ATOM 2010 CGA BOT 1 2 0.614 9.926 6.700 0.00 1.00 -ATOM 2011 CGB BOT 1 2 28.858 12.053 0.000 0.00 1.00 -ATOM 2012 CGC BOT 1 2 28.858 12.053 3.350 0.00 1.00 -ATOM 2013 CGD BOT 1 2 28.858 12.053 6.700 0.00 1.00 -ATOM 2014 CGE BOT 1 2 27.630 14.180 0.000 0.00 1.00 -ATOM 2015 CGF BOT 1 2 27.630 14.180 3.350 0.00 1.00 -ATOM 2016 CGG BOT 1 2 27.630 14.180 6.700 0.00 1.00 -ATOM 2017 O1 H2O 1 3 22.844 10.565 23.681 0.00 0.00 -ATOM 2018 H1 H2O 1 3 23.535 11.277 23.813 0.00 0.00 -ATOM 2019 H2 H2O 1 3 22.235 10.542 24.474 0.00 0.00 -ATOM 2020 O1 H2O 2 4 27.001 27.681 19.735 0.00 0.00 -ATOM 2021 H1 H2O 2 4 26.612 28.600 19.663 0.00 0.00 -ATOM 2022 H2 H2O 2 4 26.782 27.296 20.631 0.00 0.00 -ATOM 2023 O1 H2O 3 5 10.875 17.926 22.612 0.00 0.00 -ATOM 2024 H1 H2O 3 5 10.914 18.314 21.691 0.00 0.00 -ATOM 2025 H2 H2O 3 5 9.920 17.802 22.882 0.00 0.00 -ATOM 2026 O1 H2O 4 6 28.964 25.931 23.661 0.00 0.00 -ATOM 2027 H1 H2O 4 6 29.043 26.306 24.585 0.00 0.00 -ATOM 2028 H2 H2O 4 6 29.291 24.986 23.656 0.00 0.00 -ATOM 2029 O1 H2O 5 7 17.298 23.499 19.738 0.00 0.00 -ATOM 2030 H1 H2O 5 7 17.774 22.635 19.902 0.00 0.00 -ATOM 2031 H2 H2O 5 7 17.384 23.749 18.774 0.00 0.00 -ATOM 2032 O1 H2O 6 8 14.102 14.036 20.700 0.00 0.00 -ATOM 2033 H1 H2O 6 8 14.412 14.041 21.650 0.00 0.00 -ATOM 2034 H2 H2O 6 8 13.237 14.533 20.629 0.00 0.00 -ATOM 2035 O1 H2O 7 9 25.368 5.663 22.832 0.00 0.00 -ATOM 2036 H1 H2O 7 9 25.949 6.456 23.012 0.00 0.00 -ATOM 2037 H2 H2O 7 9 24.470 5.805 23.250 0.00 0.00 -ATOM 2038 O1 H2O 8 10 22.292 22.344 23.245 0.00 0.00 -ATOM 2039 H1 H2O 8 10 23.259 22.142 23.400 0.00 0.00 -ATOM 2040 H2 H2O 8 10 21.848 21.551 22.829 0.00 0.00 -ATOM 2041 O1 H2O 9 11 27.784 10.126 23.155 0.00 0.00 -ATOM 2042 H1 H2O 9 11 26.853 9.916 23.453 0.00 0.00 -ATOM 2043 H2 H2O 9 11 27.958 11.105 23.268 0.00 0.00 -ATOM 2044 O1 H2O 0 12 11.136 20.427 23.598 0.00 0.00 -ATOM 2045 H1 H2O 0 12 10.643 21.181 23.164 0.00 0.00 -ATOM 2046 H2 H2O 0 12 10.582 19.596 23.549 0.00 0.00 -ATOM 2047 O1 H2O 1 13 13.634 28.414 21.171 0.00 0.00 -ATOM 2048 H1 H2O 1 13 12.847 28.927 20.830 0.00 0.00 -ATOM 2049 H2 H2O 1 13 14.478 28.872 20.892 0.00 0.00 -ATOM 2050 O1 H2O 2 14 9.972 2.204 23.486 0.00 0.00 -ATOM 2051 H1 H2O 2 14 10.814 2.502 23.038 0.00 0.00 -ATOM 2052 H2 H2O 2 14 9.315 2.957 23.496 0.00 0.00 -ATOM 2053 O1 H2O 3 15 0.110 20.336 20.042 0.00 0.00 -ATOM 2054 H1 H2O 3 15 1.075 20.503 19.837 0.00 0.00 -ATOM 2055 H2 H2O 3 15 -0.067 19.352 20.033 0.00 0.00 -ATOM 2056 O1 H2O 4 16 27.363 7.279 23.651 0.00 0.00 -ATOM 2057 H1 H2O 4 16 28.230 7.734 23.852 0.00 0.00 -ATOM 2058 H2 H2O 4 16 26.610 7.813 24.035 0.00 0.00 -ATOM 2059 O1 H2O 5 17 18.471 25.730 23.008 0.00 0.00 -ATOM 2060 H1 H2O 5 17 19.374 25.309 23.094 0.00 0.00 -ATOM 2061 H2 H2O 5 17 17.765 25.038 23.160 0.00 0.00 -ATOM 2062 O1 H2O 6 18 0.610 7.901 20.792 0.00 0.00 -ATOM 2063 H1 H2O 6 18 1.141 8.284 21.549 0.00 0.00 -ATOM 2064 H2 H2O 6 18 -0.165 8.500 20.593 0.00 0.00 -ATOM 2065 O1 H2O 7 19 13.583 17.409 23.535 0.00 0.00 -ATOM 2066 H1 H2O 7 19 13.949 18.330 23.671 0.00 0.00 -ATOM 2067 H2 H2O 7 19 12.628 17.470 23.244 0.00 0.00 -ATOM 2068 O1 H2O 8 20 28.300 2.011 23.880 0.00 0.00 -ATOM 2069 H1 H2O 8 20 27.896 1.750 24.757 0.00 0.00 -ATOM 2070 H2 H2O 8 20 28.127 2.981 23.710 0.00 0.00 -ATOM 2071 O1 H2O 9 21 18.749 3.756 22.935 0.00 0.00 -ATOM 2072 H1 H2O 9 21 19.726 3.953 22.857 0.00 0.00 -ATOM 2073 H2 H2O 9 21 18.613 2.769 23.016 0.00 0.00 -ATOM 2074 O1 H2O 0 22 24.040 22.392 20.005 0.00 0.00 -ATOM 2075 H1 H2O 0 22 23.046 22.462 19.922 0.00 0.00 -ATOM 2076 H2 H2O 0 22 24.451 23.290 19.849 0.00 0.00 -ATOM 2077 O1 H2O 1 23 28.247 15.774 23.447 0.00 0.00 -ATOM 2078 H1 H2O 1 23 28.960 16.463 23.313 0.00 0.00 -ATOM 2079 H2 H2O 1 23 27.355 16.223 23.494 0.00 0.00 -ATOM 2080 O1 H2O 2 24 2.646 10.666 23.639 0.00 0.00 -ATOM 2081 H1 H2O 2 24 2.097 11.244 23.035 0.00 0.00 -ATOM 2082 H2 H2O 2 24 2.557 10.988 24.581 0.00 0.00 -ATOM 2083 O1 H2O 3 25 12.601 2.916 22.481 0.00 0.00 -ATOM 2084 H1 H2O 3 25 13.247 3.601 22.816 0.00 0.00 -ATOM 2085 H2 H2O 3 25 12.838 2.664 21.543 0.00 0.00 -ATOM 2086 O1 H2O 4 26 27.295 24.762 19.799 0.00 0.00 -ATOM 2087 H1 H2O 4 26 26.300 24.659 19.809 0.00 0.00 -ATOM 2088 H2 H2O 4 26 27.530 25.721 19.641 0.00 0.00 -ATOM 2089 O1 H2O 5 27 7.673 1.825 21.241 0.00 0.00 -ATOM 2090 H1 H2O 5 27 8.618 2.097 21.059 0.00 0.00 -ATOM 2091 H2 H2O 5 27 7.617 1.398 22.144 0.00 0.00 -ATOM 2092 O1 H2O 6 28 3.276 3.723 19.794 0.00 0.00 -ATOM 2093 H1 H2O 6 28 2.955 3.780 18.849 0.00 0.00 -ATOM 2094 H2 H2O 6 28 3.943 2.983 19.876 0.00 0.00 -ATOM 2095 O1 H2O 7 29 19.936 18.551 20.189 0.00 0.00 -ATOM 2096 H1 H2O 7 29 20.550 18.979 19.525 0.00 0.00 -ATOM 2097 H2 H2O 7 29 19.011 18.912 20.069 0.00 0.00 -ATOM 2098 O1 H2O 8 30 15.369 0.425 20.544 0.00 0.00 -ATOM 2099 H1 H2O 8 30 14.537 0.701 20.063 0.00 0.00 -ATOM 2100 H2 H2O 8 30 15.615 1.126 21.214 0.00 0.00 -ATOM 2101 O1 H2O 9 31 3.864 8.315 19.817 0.00 0.00 -ATOM 2102 H1 H2O 9 31 4.254 7.481 19.426 0.00 0.00 -ATOM 2103 H2 H2O 9 31 3.438 8.103 20.696 0.00 0.00 -ATOM 2104 O1 H2O 0 32 29.409 17.519 19.838 0.00 0.00 -ATOM 2105 H1 H2O 0 32 28.449 17.749 19.995 0.00 0.00 -ATOM 2106 H2 H2O 0 32 29.503 16.529 19.732 0.00 0.00 -ATOM 2107 O1 H2O 1 33 18.536 5.562 19.748 0.00 0.00 -ATOM 2108 H1 H2O 1 33 18.081 4.676 19.660 0.00 0.00 -ATOM 2109 H2 H2O 1 33 17.865 6.295 19.636 0.00 0.00 -ATOM 2110 O1 H2O 2 34 26.230 0.485 19.714 0.00 0.00 -ATOM 2111 H1 H2O 2 34 25.660 1.286 19.532 0.00 0.00 -ATOM 2112 H2 H2O 2 34 27.148 0.782 19.975 0.00 0.00 -ATOM 2113 O1 H2O 3 35 21.518 8.479 22.722 0.00 0.00 -ATOM 2114 H1 H2O 3 35 22.085 9.278 22.921 0.00 0.00 -ATOM 2115 H2 H2O 3 35 21.964 7.657 23.076 0.00 0.00 -ATOM 2116 O1 H2O 4 36 12.705 14.850 23.350 0.00 0.00 -ATOM 2117 H1 H2O 4 36 13.161 15.709 23.583 0.00 0.00 -ATOM 2118 H2 H2O 4 36 13.375 14.108 23.339 0.00 0.00 -ATOM 2119 O1 H2O 5 37 21.751 4.484 20.326 0.00 0.00 -ATOM 2120 H1 H2O 5 37 22.209 3.823 19.732 0.00 0.00 -ATOM 2121 H2 H2O 5 37 20.865 4.728 19.931 0.00 0.00 -ATOM 2122 O1 H2O 6 38 16.293 15.752 22.417 0.00 0.00 -ATOM 2123 H1 H2O 6 38 15.879 16.232 23.191 0.00 0.00 -ATOM 2124 H2 H2O 6 38 16.003 16.185 21.564 0.00 0.00 -ATOM 2125 O1 H2O 7 39 9.395 24.951 21.365 0.00 0.00 -ATOM 2126 H1 H2O 7 39 9.172 24.338 20.607 0.00 0.00 -ATOM 2127 H2 H2O 7 39 8.735 25.702 21.393 0.00 0.00 -ATOM 2128 O1 H2O 8 40 8.869 7.733 20.338 0.00 0.00 -ATOM 2129 H1 H2O 8 40 9.837 7.971 20.252 0.00 0.00 -ATOM 2130 H2 H2O 8 40 8.661 6.959 19.740 0.00 0.00 -ATOM 2131 O1 H2O 9 41 27.817 12.732 23.199 0.00 0.00 -ATOM 2132 H1 H2O 9 41 28.577 13.296 23.524 0.00 0.00 -ATOM 2133 H2 H2O 9 41 27.360 13.195 22.439 0.00 0.00 -ATOM 2134 O1 H2O 0 42 24.082 0.526 22.518 0.00 0.00 -ATOM 2135 H1 H2O 0 42 24.749 -0.186 22.301 0.00 0.00 -ATOM 2136 H2 H2O 0 42 24.556 1.327 22.884 0.00 0.00 -ATOM 2137 O1 H2O 1 43 19.007 22.366 23.063 0.00 0.00 -ATOM 2138 H1 H2O 1 43 19.753 23.007 23.245 0.00 0.00 -ATOM 2139 H2 H2O 1 43 19.122 21.551 23.631 0.00 0.00 -ATOM 2140 O1 H2O 2 44 28.677 5.785 19.628 0.00 0.00 -ATOM 2141 H1 H2O 2 44 29.075 6.608 20.035 0.00 0.00 -ATOM 2142 H2 H2O 2 44 27.710 5.945 19.431 0.00 0.00 -ATOM 2143 O1 H2O 3 45 4.464 19.058 23.298 0.00 0.00 -ATOM 2144 H1 H2O 3 45 3.680 19.495 22.857 0.00 0.00 -ATOM 2145 H2 H2O 3 45 4.286 18.079 23.400 0.00 0.00 -ATOM 2146 O1 H2O 4 46 20.254 27.596 19.851 0.00 0.00 -ATOM 2147 H1 H2O 4 46 20.780 28.038 19.124 0.00 0.00 -ATOM 2148 H2 H2O 4 46 19.321 27.955 19.853 0.00 0.00 -ATOM 2149 O1 H2O 5 47 29.119 20.571 22.887 0.00 0.00 -ATOM 2150 H1 H2O 5 47 28.919 20.669 21.912 0.00 0.00 -ATOM 2151 H2 H2O 5 47 28.285 20.313 23.374 0.00 0.00 -ATOM 2152 O1 H2O 6 48 5.518 7.240 22.869 0.00 0.00 -ATOM 2153 H1 H2O 6 48 5.893 7.987 22.321 0.00 0.00 -ATOM 2154 H2 H2O 6 48 6.206 6.930 23.525 0.00 0.00 -ATOM 2155 O1 H2O 7 49 24.995 19.698 19.745 0.00 0.00 -ATOM 2156 H1 H2O 7 49 24.339 19.185 20.299 0.00 0.00 -ATOM 2157 H2 H2O 7 49 24.715 20.657 19.701 0.00 0.00 -ATOM 2158 O1 H2O 8 50 12.506 26.894 23.088 0.00 0.00 -ATOM 2159 H1 H2O 8 50 12.933 27.001 22.190 0.00 0.00 -ATOM 2160 H2 H2O 8 50 12.223 27.790 23.432 0.00 0.00 -ATOM 2161 O1 H2O 9 51 13.650 7.150 22.654 0.00 0.00 -ATOM 2162 H1 H2O 9 51 13.699 7.805 21.900 0.00 0.00 -ATOM 2163 H2 H2O 9 51 12.735 7.174 23.057 0.00 0.00 -ATOM 2164 O1 H2O 0 52 26.581 19.620 23.742 0.00 0.00 -ATOM 2165 H1 H2O 0 52 25.870 20.206 23.352 0.00 0.00 -ATOM 2166 H2 H2O 0 52 26.796 19.929 24.669 0.00 0.00 -ATOM 2167 O1 H2O 1 53 18.597 19.749 23.661 0.00 0.00 -ATOM 2168 H1 H2O 1 53 19.314 19.060 23.560 0.00 0.00 -ATOM 2169 H2 H2O 1 53 17.769 19.439 23.194 0.00 0.00 -ATOM 2170 O1 H2O 2 54 0.409 8.796 23.781 0.00 0.00 -ATOM 2171 H1 H2O 2 54 1.186 9.403 23.951 0.00 0.00 -ATOM 2172 H2 H2O 2 54 -0.365 9.332 23.445 0.00 0.00 -ATOM 2173 O1 H2O 3 55 11.272 10.488 23.362 0.00 0.00 -ATOM 2174 H1 H2O 3 55 11.587 10.462 22.413 0.00 0.00 -ATOM 2175 H2 H2O 3 55 12.062 10.525 23.974 0.00 0.00 -ATOM 2176 O1 H2O 4 56 2.148 0.617 20.218 0.00 0.00 -ATOM 2177 H1 H2O 4 56 1.982 1.147 21.050 0.00 0.00 -ATOM 2178 H2 H2O 4 56 3.124 0.636 20.000 0.00 0.00 -ATOM 2179 O1 H2O 5 57 14.572 23.512 20.909 0.00 0.00 -ATOM 2180 H1 H2O 5 57 15.564 23.481 20.781 0.00 0.00 -ATOM 2181 H2 H2O 5 57 14.217 24.376 20.553 0.00 0.00 -ATOM 2182 O1 H2O 6 58 16.397 23.850 23.178 0.00 0.00 -ATOM 2183 H1 H2O 6 58 16.982 23.080 23.433 0.00 0.00 -ATOM 2184 H2 H2O 6 58 15.448 23.637 23.409 0.00 0.00 -ATOM 2185 O1 H2O 7 59 26.893 18.031 20.052 0.00 0.00 -ATOM 2186 H1 H2O 7 59 26.492 17.454 20.763 0.00 0.00 -ATOM 2187 H2 H2O 7 59 26.186 18.626 19.668 0.00 0.00 -ATOM 2188 O1 H2O 8 60 21.079 10.789 19.826 0.00 0.00 -ATOM 2189 H1 H2O 8 60 21.296 11.297 18.993 0.00 0.00 -ATOM 2190 H2 H2O 8 60 21.381 9.841 19.727 0.00 0.00 -ATOM 2191 O1 H2O 9 61 5.075 1.267 23.446 0.00 0.00 -ATOM 2192 H1 H2O 9 61 5.988 1.007 23.762 0.00 0.00 -ATOM 2193 H2 H2O 9 61 4.471 0.470 23.480 0.00 0.00 -ATOM 2194 O1 H2O 0 62 1.417 14.428 23.608 0.00 0.00 -ATOM 2195 H1 H2O 0 62 1.260 15.361 23.933 0.00 0.00 -ATOM 2196 H2 H2O 0 62 2.399 14.243 23.585 0.00 0.00 -ATOM 2197 O1 H2O 1 63 25.186 9.117 23.420 0.00 0.00 -ATOM 2198 H1 H2O 1 63 24.603 9.785 23.881 0.00 0.00 -ATOM 2199 H2 H2O 1 63 25.075 9.203 22.430 0.00 0.00 -ATOM 2200 O1 H2O 2 64 18.919 21.477 20.465 0.00 0.00 -ATOM 2201 H1 H2O 2 64 19.066 21.655 21.438 0.00 0.00 -ATOM 2202 H2 H2O 2 64 18.206 20.784 20.357 0.00 0.00 -ATOM 2203 O1 H2O 3 65 21.412 22.462 19.833 0.00 0.00 -ATOM 2204 H1 H2O 3 65 21.305 23.437 20.025 0.00 0.00 -ATOM 2205 H2 H2O 3 65 20.533 22.000 19.953 0.00 0.00 -ATOM 2206 O1 H2O 4 66 1.000 17.283 23.150 0.00 0.00 -ATOM 2207 H1 H2O 4 66 1.389 18.023 23.699 0.00 0.00 -ATOM 2208 H2 H2O 4 66 1.642 17.032 22.426 0.00 0.00 -ATOM 2209 O1 H2O 5 67 3.695 28.834 23.780 0.00 0.00 -ATOM 2210 H1 H2O 5 67 4.317 28.126 24.113 0.00 0.00 -ATOM 2211 H2 H2O 5 67 2.815 28.420 23.544 0.00 0.00 -ATOM 2212 O1 H2O 6 68 16.007 29.141 23.878 0.00 0.00 -ATOM 2213 H1 H2O 6 68 15.751 28.179 23.773 0.00 0.00 -ATOM 2214 H2 H2O 6 68 15.205 29.670 24.156 0.00 0.00 -ATOM 2215 O1 H2O 7 69 24.930 8.941 20.509 0.00 0.00 -ATOM 2216 H1 H2O 7 69 24.000 8.667 20.266 0.00 0.00 -ATOM 2217 H2 H2O 7 69 25.026 9.930 20.400 0.00 0.00 -ATOM 2218 O1 H2O 8 70 14.163 10.427 23.761 0.00 0.00 -ATOM 2219 H1 H2O 8 70 14.711 10.180 22.963 0.00 0.00 -ATOM 2220 H2 H2O 8 70 13.956 9.604 24.291 0.00 0.00 -ATOM 2221 O1 H2O 9 71 19.610 10.562 23.112 0.00 0.00 -ATOM 2222 H1 H2O 9 71 19.965 11.494 23.042 0.00 0.00 -ATOM 2223 H2 H2O 9 71 20.268 9.924 22.713 0.00 0.00 -ATOM 2224 O1 H2O 0 72 2.560 18.225 19.825 0.00 0.00 -ATOM 2225 H1 H2O 0 72 2.779 19.184 20.008 0.00 0.00 -ATOM 2226 H2 H2O 0 72 1.569 18.119 19.744 0.00 0.00 -ATOM 2227 O1 H2O 1 73 11.135 29.377 23.530 0.00 0.00 -ATOM 2228 H1 H2O 1 73 10.821 30.286 23.255 0.00 0.00 -ATOM 2229 H2 H2O 1 73 10.345 28.779 23.667 0.00 0.00 -ATOM 2230 O1 H2O 2 74 23.630 27.827 20.130 0.00 0.00 -ATOM 2231 H1 H2O 2 74 23.660 27.671 21.117 0.00 0.00 -ATOM 2232 H2 H2O 2 74 23.097 28.652 19.938 0.00 0.00 -ATOM 2233 O1 H2O 3 75 20.395 17.704 22.971 0.00 0.00 -ATOM 2234 H1 H2O 3 75 20.440 16.772 23.331 0.00 0.00 -ATOM 2235 H2 H2O 3 75 20.211 17.673 21.988 0.00 0.00 -ATOM 2236 O1 H2O 4 76 23.006 13.117 21.066 0.00 0.00 -ATOM 2237 H1 H2O 4 76 22.332 12.381 21.000 0.00 0.00 -ATOM 2238 H2 H2O 4 76 22.734 13.754 21.787 0.00 0.00 -ATOM 2239 O1 H2O 5 77 9.758 12.404 20.787 0.00 0.00 -ATOM 2240 H1 H2O 5 77 10.167 13.054 21.428 0.00 0.00 -ATOM 2241 H2 H2O 5 77 10.413 11.673 20.591 0.00 0.00 -ATOM 2242 O1 H2O 6 78 27.602 21.885 20.634 0.00 0.00 -ATOM 2243 H1 H2O 6 78 27.642 22.661 20.005 0.00 0.00 -ATOM 2244 H2 H2O 6 78 28.329 21.236 20.411 0.00 0.00 -ATOM 2245 O1 H2O 7 79 8.393 4.645 22.876 0.00 0.00 -ATOM 2246 H1 H2O 7 79 7.541 4.172 23.099 0.00 0.00 -ATOM 2247 H2 H2O 7 79 8.324 5.603 23.154 0.00 0.00 -ATOM 2248 O1 H2O 8 80 6.738 23.472 23.347 0.00 0.00 -ATOM 2249 H1 H2O 8 80 5.744 23.365 23.353 0.00 0.00 -ATOM 2250 H2 H2O 8 80 7.165 22.645 23.711 0.00 0.00 -ATOM 2251 O1 H2O 9 81 27.876 0.100 22.167 0.00 0.00 -ATOM 2252 H1 H2O 9 81 28.170 0.036 21.213 0.00 0.00 -ATOM 2253 H2 H2O 9 81 27.946 1.049 22.474 0.00 0.00 -ATOM 2254 O1 H2O 0 82 23.631 27.339 22.766 0.00 0.00 -ATOM 2255 H1 H2O 0 82 24.158 27.931 23.375 0.00 0.00 -ATOM 2256 H2 H2O 0 82 22.670 27.615 22.781 0.00 0.00 -ATOM 2257 O1 H2O 1 83 17.249 9.078 19.799 0.00 0.00 -ATOM 2258 H1 H2O 1 83 16.686 9.745 20.289 0.00 0.00 -ATOM 2259 H2 H2O 1 83 17.953 8.722 20.413 0.00 0.00 -ATOM 2260 O1 H2O 2 84 0.484 23.999 20.218 0.00 0.00 -ATOM 2261 H1 H2O 2 84 -0.378 24.397 19.903 0.00 0.00 -ATOM 2262 H2 H2O 2 84 0.318 23.458 21.043 0.00 0.00 -ATOM 2263 O1 H2O 3 85 27.960 2.720 20.196 0.00 0.00 -ATOM 2264 H1 H2O 3 85 27.634 3.528 19.704 0.00 0.00 -ATOM 2265 H2 H2O 3 85 28.908 2.863 20.480 0.00 0.00 -ATOM 2266 O1 H2O 4 86 9.995 2.507 19.853 0.00 0.00 -ATOM 2267 H1 H2O 4 86 10.065 3.505 19.843 0.00 0.00 -ATOM 2268 H2 H2O 4 86 9.570 2.194 19.003 0.00 0.00 -ATOM 2269 O1 H2O 5 87 29.119 29.444 19.646 0.00 0.00 -ATOM 2270 H1 H2O 5 87 28.762 28.530 19.455 0.00 0.00 -ATOM 2271 H2 H2O 5 87 30.117 29.431 19.589 0.00 0.00 -ATOM 2272 O1 H2O 6 88 18.915 14.904 22.828 0.00 0.00 -ATOM 2273 H1 H2O 6 88 19.435 15.161 22.014 0.00 0.00 -ATOM 2274 H2 H2O 6 88 17.974 15.230 22.740 0.00 0.00 -ATOM 2275 O1 H2O 7 89 22.613 15.513 20.019 0.00 0.00 -ATOM 2276 H1 H2O 7 89 21.701 15.607 19.619 0.00 0.00 -ATOM 2277 H2 H2O 7 89 22.792 14.550 20.219 0.00 0.00 -ATOM 2278 O1 H2O 8 90 6.746 12.612 20.532 0.00 0.00 -ATOM 2279 H1 H2O 8 90 6.175 11.880 20.162 0.00 0.00 -ATOM 2280 H2 H2O 8 90 7.707 12.338 20.492 0.00 0.00 -ATOM 2281 O1 H2O 9 91 7.455 20.350 20.443 0.00 0.00 -ATOM 2282 H1 H2O 9 91 7.779 19.455 20.139 0.00 0.00 -ATOM 2283 H2 H2O 9 91 6.539 20.258 20.834 0.00 0.00 -ATOM 2284 O1 H2O 0 92 0.302 14.716 19.736 0.00 0.00 -ATOM 2285 H1 H2O 0 92 -0.394 14.740 20.454 0.00 0.00 -ATOM 2286 H2 H2O 0 92 0.410 13.777 19.408 0.00 0.00 -ATOM 2287 O1 H2O 1 93 7.858 22.796 19.703 0.00 0.00 -ATOM 2288 H1 H2O 1 93 7.501 21.904 19.978 0.00 0.00 -ATOM 2289 H2 H2O 1 93 7.999 22.808 18.713 0.00 0.00 -ATOM 2290 O1 H2O 2 94 25.082 11.480 20.383 0.00 0.00 -ATOM 2291 H1 H2O 2 94 24.228 12.000 20.390 0.00 0.00 -ATOM 2292 H2 H2O 2 94 25.857 12.111 20.413 0.00 0.00 -ATOM 2293 O1 H2O 3 95 25.116 12.145 23.440 0.00 0.00 -ATOM 2294 H1 H2O 3 95 24.949 12.126 22.454 0.00 0.00 -ATOM 2295 H2 H2O 3 95 26.097 12.238 23.610 0.00 0.00 -ATOM 2296 O1 H2O 4 96 5.380 18.432 20.394 0.00 0.00 -ATOM 2297 H1 H2O 4 96 5.214 18.285 21.369 0.00 0.00 -ATOM 2298 H2 H2O 4 96 4.512 18.398 19.899 0.00 0.00 -ATOM 2299 O1 H2O 5 97 8.423 17.745 19.875 0.00 0.00 -ATOM 2300 H1 H2O 5 97 8.782 16.892 20.254 0.00 0.00 -ATOM 2301 H2 H2O 5 97 7.499 17.591 19.525 0.00 0.00 -ATOM 2302 O1 H2O 6 98 7.461 28.856 20.250 0.00 0.00 -ATOM 2303 H1 H2O 6 98 7.562 29.715 20.752 0.00 0.00 -ATOM 2304 H2 H2O 6 98 6.913 29.012 19.428 0.00 0.00 -ATOM 2305 O1 H2O 7 99 20.882 24.672 22.853 0.00 0.00 -ATOM 2306 H1 H2O 7 99 21.128 24.962 21.928 0.00 0.00 -ATOM 2307 H2 H2O 7 99 21.539 23.991 23.175 0.00 0.00 -ATOM 2308 O1 H2O 8 100 14.736 13.036 23.260 0.00 0.00 -ATOM 2309 H1 H2O 8 100 15.628 13.073 23.710 0.00 0.00 -ATOM 2310 H2 H2O 8 100 14.306 12.152 23.444 0.00 0.00 -ATOM 2311 O1 H2O 9 101 22.684 6.331 23.875 0.00 0.00 -ATOM 2312 H1 H2O 9 101 22.304 5.563 23.359 0.00 0.00 -ATOM 2313 H2 H2O 9 101 22.761 6.079 24.839 0.00 0.00 -ATOM 2314 O1 H2O 0 102 11.701 7.765 20.206 0.00 0.00 -ATOM 2315 H1 H2O 0 102 12.645 8.005 19.980 0.00 0.00 -ATOM 2316 H2 H2O 0 102 11.647 6.789 20.418 0.00 0.00 -ATOM 2317 O1 H2O 1 103 5.156 22.726 20.893 0.00 0.00 -ATOM 2318 H1 H2O 1 103 5.960 23.133 20.458 0.00 0.00 -ATOM 2319 H2 H2O 1 103 4.364 22.828 20.292 0.00 0.00 -ATOM 2320 O1 H2O 2 104 9.144 27.819 23.889 0.00 0.00 -ATOM 2321 H1 H2O 2 104 8.672 27.249 23.217 0.00 0.00 -ATOM 2322 H2 H2O 2 104 9.334 27.278 24.709 0.00 0.00 -ATOM 2323 O1 H2O 3 105 23.390 17.925 21.057 0.00 0.00 -ATOM 2324 H1 H2O 3 105 23.194 17.634 21.993 0.00 0.00 -ATOM 2325 H2 H2O 3 105 23.224 17.164 20.429 0.00 0.00 -ATOM 2326 O1 H2O 4 106 12.934 21.232 20.438 0.00 0.00 -ATOM 2327 H1 H2O 4 106 13.522 22.017 20.637 0.00 0.00 -ATOM 2328 H2 H2O 4 106 13.496 20.410 20.346 0.00 0.00 -ATOM 2329 O1 H2O 5 107 1.210 12.320 21.919 0.00 0.00 -ATOM 2330 H1 H2O 5 107 0.976 13.069 22.539 0.00 0.00 -ATOM 2331 H2 H2O 5 107 0.474 12.196 21.254 0.00 0.00 -ATOM 2332 O1 H2O 6 108 17.538 14.345 20.109 0.00 0.00 -ATOM 2333 H1 H2O 6 108 17.990 13.456 20.038 0.00 0.00 -ATOM 2334 H2 H2O 6 108 16.823 14.301 20.807 0.00 0.00 -ATOM 2335 O1 H2O 7 109 7.496 4.488 20.111 0.00 0.00 -ATOM 2336 H1 H2O 7 109 7.644 4.424 21.098 0.00 0.00 -ATOM 2337 H2 H2O 7 109 7.788 3.637 19.675 0.00 0.00 -ATOM 2338 O1 H2O 8 110 17.409 12.660 23.805 0.00 0.00 -ATOM 2339 H1 H2O 8 110 17.891 13.501 23.562 0.00 0.00 -ATOM 2340 H2 H2O 8 110 17.931 12.165 24.500 0.00 0.00 -ATOM 2341 O1 H2O 9 111 21.727 1.437 23.779 0.00 0.00 -ATOM 2342 H1 H2O 9 111 21.940 1.258 24.740 0.00 0.00 -ATOM 2343 H2 H2O 9 111 22.436 1.034 23.200 0.00 0.00 -ATOM 2344 O1 H2O 0 112 10.317 13.382 23.356 0.00 0.00 -ATOM 2345 H1 H2O 0 112 10.429 12.484 23.781 0.00 0.00 -ATOM 2346 H2 H2O 0 112 11.021 14.004 23.700 0.00 0.00 -ATOM 2347 O1 H2O 1 113 13.999 20.275 23.428 0.00 0.00 -ATOM 2348 H1 H2O 1 113 14.422 20.949 24.033 0.00 0.00 -ATOM 2349 H2 H2O 1 113 13.057 20.110 23.719 0.00 0.00 -ATOM 2350 O1 H2O 2 114 2.839 20.829 20.402 0.00 0.00 -ATOM 2351 H1 H2O 2 114 2.611 20.970 21.365 0.00 0.00 -ATOM 2352 H2 H2O 2 114 3.128 21.697 19.997 0.00 0.00 -ATOM 2353 O1 H2O 3 115 14.300 11.461 20.571 0.00 0.00 -ATOM 2354 H1 H2O 3 115 14.053 12.423 20.448 0.00 0.00 -ATOM 2355 H2 H2O 3 115 15.200 11.401 21.003 0.00 0.00 -ATOM 2356 O1 H2O 4 116 19.497 8.103 20.956 0.00 0.00 -ATOM 2357 H1 H2O 4 116 19.365 7.123 20.812 0.00 0.00 -ATOM 2358 H2 H2O 4 116 20.111 8.247 21.732 0.00 0.00 -ATOM 2359 O1 H2O 5 117 2.338 20.774 23.052 0.00 0.00 -ATOM 2360 H1 H2O 5 117 2.845 21.478 23.549 0.00 0.00 -ATOM 2361 H2 H2O 5 117 1.363 20.995 23.063 0.00 0.00 -ATOM 2362 O1 H2O 6 118 11.138 7.289 23.713 0.00 0.00 -ATOM 2363 H1 H2O 6 118 10.273 6.926 23.366 0.00 0.00 -ATOM 2364 H2 H2O 6 118 10.961 8.106 24.261 0.00 0.00 -ATOM 2365 O1 H2O 7 119 16.855 5.837 23.439 0.00 0.00 -ATOM 2366 H1 H2O 7 119 17.180 6.735 23.733 0.00 0.00 -ATOM 2367 H2 H2O 7 119 17.638 5.243 23.253 0.00 0.00 -ATOM 2368 O1 H2O 8 120 8.261 7.378 23.018 0.00 0.00 -ATOM 2369 H1 H2O 8 120 8.278 8.281 23.448 0.00 0.00 -ATOM 2370 H2 H2O 8 120 8.116 7.479 22.034 0.00 0.00 -ATOM 2371 O1 H2O 9 121 5.701 15.104 20.169 0.00 0.00 -ATOM 2372 H1 H2O 9 121 6.030 14.200 20.444 0.00 0.00 -ATOM 2373 H2 H2O 9 121 4.719 15.060 19.987 0.00 0.00 -ATOM 2374 O1 H2O 0 122 18.575 28.268 23.571 0.00 0.00 -ATOM 2375 H1 H2O 0 122 17.681 28.630 23.838 0.00 0.00 -ATOM 2376 H2 H2O 0 122 18.469 27.329 23.243 0.00 0.00 -ATOM 2377 O1 H2O 1 123 20.583 13.040 23.612 0.00 0.00 -ATOM 2378 H1 H2O 1 123 19.886 13.681 23.291 0.00 0.00 -ATOM 2379 H2 H2O 1 123 21.460 13.513 23.690 0.00 0.00 -ATOM 2380 O1 H2O 2 124 13.552 3.148 20.060 0.00 0.00 -ATOM 2381 H1 H2O 2 124 13.261 2.444 19.412 0.00 0.00 -ATOM 2382 H2 H2O 2 124 13.752 3.994 19.566 0.00 0.00 -ATOM 2383 O1 H2O 3 125 21.641 20.082 22.192 0.00 0.00 -ATOM 2384 H1 H2O 3 125 21.242 19.268 22.615 0.00 0.00 -ATOM 2385 H2 H2O 3 125 22.336 19.806 21.529 0.00 0.00 -ATOM 2386 O1 H2O 4 126 26.021 17.044 22.861 0.00 0.00 -ATOM 2387 H1 H2O 4 126 26.306 17.952 23.169 0.00 0.00 -ATOM 2388 H2 H2O 4 126 25.023 17.006 22.814 0.00 0.00 -ATOM 2389 O1 H2O 5 127 16.902 25.946 20.727 0.00 0.00 -ATOM 2390 H1 H2O 5 127 17.534 26.102 21.486 0.00 0.00 -ATOM 2391 H2 H2O 5 127 17.168 25.115 20.238 0.00 0.00 -ATOM 2392 O1 H2O 6 128 5.041 10.856 19.822 0.00 0.00 -ATOM 2393 H1 H2O 6 128 4.753 9.927 19.590 0.00 0.00 -ATOM 2394 H2 H2O 6 128 4.244 11.392 20.101 0.00 0.00 -ATOM 2395 O1 H2O 7 129 13.561 0.727 23.658 0.00 0.00 -ATOM 2396 H1 H2O 7 129 12.847 0.036 23.545 0.00 0.00 -ATOM 2397 H2 H2O 7 129 13.264 1.584 23.236 0.00 0.00 -ATOM 2398 O1 H2O 8 130 6.617 9.304 21.332 0.00 0.00 -ATOM 2399 H1 H2O 8 130 6.131 10.143 21.089 0.00 0.00 -ATOM 2400 H2 H2O 8 130 6.667 8.704 20.533 0.00 0.00 -ATOM 2401 O1 H2O 9 131 13.718 23.598 23.606 0.00 0.00 -ATOM 2402 H1 H2O 9 131 13.598 23.484 22.620 0.00 0.00 -ATOM 2403 H2 H2O 9 131 12.822 23.613 24.052 0.00 0.00 -ATOM 2404 O1 H2O 0 132 25.179 2.769 23.348 0.00 0.00 -ATOM 2405 H1 H2O 0 132 25.075 3.704 23.687 0.00 0.00 -ATOM 2406 H2 H2O 0 132 26.039 2.691 22.843 0.00 0.00 -ATOM 2407 O1 H2O 1 133 1.189 5.920 23.419 0.00 0.00 -ATOM 2408 H1 H2O 1 133 2.020 5.822 22.871 0.00 0.00 -ATOM 2409 H2 H2O 1 133 0.929 6.885 23.460 0.00 0.00 -ATOM 2410 O1 H2O 2 134 8.453 10.108 23.432 0.00 0.00 -ATOM 2411 H1 H2O 2 134 9.433 9.933 23.338 0.00 0.00 -ATOM 2412 H2 H2O 2 134 8.072 10.357 22.541 0.00 0.00 -ATOM 2413 O1 H2O 3 135 3.754 23.163 23.971 0.00 0.00 -ATOM 2414 H1 H2O 3 135 3.690 23.933 23.337 0.00 0.00 -ATOM 2415 H2 H2O 3 135 3.617 23.489 24.907 0.00 0.00 -ATOM 2416 O1 H2O 4 136 17.591 28.532 20.091 0.00 0.00 -ATOM 2417 H1 H2O 4 136 17.193 27.643 20.318 0.00 0.00 -ATOM 2418 H2 H2O 4 136 16.916 29.251 20.255 0.00 0.00 -ATOM 2419 O1 H2O 5 137 25.900 5.665 19.916 0.00 0.00 -ATOM 2420 H1 H2O 5 137 25.121 6.280 19.799 0.00 0.00 -ATOM 2421 H2 H2O 5 137 25.974 5.401 20.878 0.00 0.00 -ATOM 2422 O1 H2O 6 138 0.716 4.000 21.128 0.00 0.00 -ATOM 2423 H1 H2O 6 138 0.250 4.725 20.621 0.00 0.00 -ATOM 2424 H2 H2O 6 138 1.671 3.951 20.837 0.00 0.00 -ATOM 2425 O1 H2O 7 139 11.178 24.472 23.468 0.00 0.00 -ATOM 2426 H1 H2O 7 139 10.436 24.470 22.797 0.00 0.00 -ATOM 2427 H2 H2O 7 139 11.670 25.341 23.417 0.00 0.00 -ATOM 2428 O1 H2O 8 140 2.938 15.529 19.691 0.00 0.00 -ATOM 2429 H1 H2O 8 140 1.955 15.344 19.678 0.00 0.00 -ATOM 2430 H2 H2O 8 140 3.091 16.510 19.806 0.00 0.00 -ATOM 2431 O1 H2O 9 141 24.243 2.373 19.663 0.00 0.00 -ATOM 2432 H1 H2O 9 141 24.185 2.803 20.564 0.00 0.00 -ATOM 2433 H2 H2O 9 141 24.171 3.074 18.954 0.00 0.00 -ATOM 2434 O1 H2O 0 142 0.371 27.564 21.664 0.00 0.00 -ATOM 2435 H1 H2O 0 142 0.023 26.881 22.306 0.00 0.00 -ATOM 2436 H2 H2O 0 142 0.168 28.480 22.009 0.00 0.00 -ATOM 2437 O1 H2O 1 143 14.532 4.690 23.358 0.00 0.00 -ATOM 2438 H1 H2O 1 143 15.513 4.864 23.447 0.00 0.00 -ATOM 2439 H2 H2O 1 143 14.074 5.519 23.037 0.00 0.00 -ATOM 2440 O1 H2O 2 144 8.967 15.002 20.409 0.00 0.00 -ATOM 2441 H1 H2O 2 144 9.194 14.059 20.650 0.00 0.00 -ATOM 2442 H2 H2O 2 144 8.234 15.005 19.728 0.00 0.00 -ATOM 2443 O1 H2O 3 145 14.427 25.767 19.534 0.00 0.00 -ATOM 2444 H1 H2O 3 145 15.153 26.215 20.056 0.00 0.00 -ATOM 2445 H2 H2O 3 145 14.313 26.232 18.655 0.00 0.00 -ATOM 2446 O1 H2O 4 146 16.098 2.386 22.449 0.00 0.00 -ATOM 2447 H1 H2O 4 146 16.572 2.977 21.796 0.00 0.00 -ATOM 2448 H2 H2O 4 146 15.392 2.912 22.923 0.00 0.00 -ATOM 2449 O1 H2O 5 147 18.364 11.668 20.271 0.00 0.00 -ATOM 2450 H1 H2O 5 147 19.263 11.231 20.306 0.00 0.00 -ATOM 2451 H2 H2O 5 147 17.716 11.061 19.810 0.00 0.00 -ATOM 2452 O1 H2O 6 148 4.935 1.922 20.576 0.00 0.00 -ATOM 2453 H1 H2O 6 148 4.942 1.720 21.555 0.00 0.00 -ATOM 2454 H2 H2O 6 148 5.867 1.868 20.217 0.00 0.00 -ATOM 2455 O1 H2O 7 149 3.914 25.095 22.011 0.00 0.00 -ATOM 2456 H1 H2O 7 149 4.202 24.258 21.546 0.00 0.00 -ATOM 2457 H2 H2O 7 149 3.354 25.644 21.391 0.00 0.00 -ATOM 2458 O1 H2O 8 150 3.220 8.384 22.428 0.00 0.00 -ATOM 2459 H1 H2O 8 150 4.122 8.145 22.786 0.00 0.00 -ATOM 2460 H2 H2O 8 150 2.924 9.253 22.824 0.00 0.00 -ATOM 2461 O1 H2O 9 151 4.144 13.904 23.432 0.00 0.00 -ATOM 2462 H1 H2O 9 151 4.535 14.789 23.684 0.00 0.00 -ATOM 2463 H2 H2O 9 151 4.871 13.219 23.389 0.00 0.00 -ATOM 2464 O1 H2O 0 152 6.468 16.081 22.824 0.00 0.00 -ATOM 2465 H1 H2O 0 152 6.043 15.962 21.927 0.00 0.00 -ATOM 2466 H2 H2O 0 152 6.903 15.225 23.103 0.00 0.00 -ATOM 2467 O1 H2O 1 153 27.899 9.602 20.587 0.00 0.00 -ATOM 2468 H1 H2O 1 153 27.043 9.230 20.228 0.00 0.00 -ATOM 2469 H2 H2O 1 153 27.815 9.741 21.574 0.00 0.00 -ATOM 2470 O1 H2O 2 154 28.301 4.463 23.350 0.00 0.00 -ATOM 2471 H1 H2O 2 154 27.793 5.289 23.594 0.00 0.00 -ATOM 2472 H2 H2O 2 154 29.282 4.655 23.376 0.00 0.00 -ATOM 2473 O1 H2O 3 155 5.771 11.360 23.819 0.00 0.00 -ATOM 2474 H1 H2O 3 155 6.405 10.605 23.984 0.00 0.00 -ATOM 2475 H2 H2O 3 155 4.902 11.173 24.277 0.00 0.00 -ATOM 2476 O1 H2O 4 156 3.570 5.524 22.139 0.00 0.00 -ATOM 2477 H1 H2O 4 156 4.149 6.337 22.206 0.00 0.00 -ATOM 2478 H2 H2O 4 156 3.754 5.055 21.275 0.00 0.00 -ATOM 2479 O1 H2O 5 157 8.330 18.143 23.243 0.00 0.00 -ATOM 2480 H1 H2O 5 157 7.878 19.034 23.209 0.00 0.00 -ATOM 2481 H2 H2O 5 157 7.640 17.421 23.298 0.00 0.00 -ATOM 2482 O1 H2O 6 158 11.737 26.066 20.064 0.00 0.00 -ATOM 2483 H1 H2O 6 158 11.227 25.207 20.097 0.00 0.00 -ATOM 2484 H2 H2O 6 158 12.707 25.872 19.921 0.00 0.00 -ATOM 2485 O1 H2O 7 159 22.447 8.298 19.974 0.00 0.00 -ATOM 2486 H1 H2O 7 159 22.500 7.311 19.819 0.00 0.00 -ATOM 2487 H2 H2O 7 159 22.167 8.473 20.918 0.00 0.00 -ATOM 2488 O1 H2O 8 160 23.126 17.190 23.730 0.00 0.00 -ATOM 2489 H1 H2O 8 160 23.497 17.474 24.614 0.00 0.00 -ATOM 2490 H2 H2O 8 160 22.223 17.600 23.601 0.00 0.00 -ATOM 2491 O1 H2O 9 161 2.710 3.583 23.742 0.00 0.00 -ATOM 2492 H1 H2O 9 161 2.790 4.150 22.922 0.00 0.00 -ATOM 2493 H2 H2O 9 161 2.162 4.063 24.427 0.00 0.00 -ATOM 2494 O1 H2O 0 162 2.166 26.329 20.080 0.00 0.00 -ATOM 2495 H1 H2O 0 162 1.600 25.511 19.982 0.00 0.00 -ATOM 2496 H2 H2O 0 162 1.717 26.971 20.702 0.00 0.00 -ATOM 2497 O1 H2O 1 163 9.311 22.077 22.214 0.00 0.00 -ATOM 2498 H1 H2O 1 163 8.746 21.616 21.529 0.00 0.00 -ATOM 2499 H2 H2O 1 163 9.188 23.066 22.136 0.00 0.00 -ATOM 2500 O1 H2O 2 164 26.918 23.840 23.582 0.00 0.00 -ATOM 2501 H1 H2O 2 164 26.261 24.590 23.654 0.00 0.00 -ATOM 2502 H2 H2O 2 164 26.466 23.036 23.195 0.00 0.00 -ATOM 2503 O1 H2O 3 165 7.525 26.733 21.921 0.00 0.00 -ATOM 2504 H1 H2O 3 165 7.382 27.504 21.301 0.00 0.00 -ATOM 2505 H2 H2O 3 165 6.706 26.597 22.478 0.00 0.00 -ATOM 2506 O1 H2O 4 166 10.905 19.562 20.323 0.00 0.00 -ATOM 2507 H1 H2O 4 166 11.453 20.333 20.651 0.00 0.00 -ATOM 2508 H2 H2O 4 166 10.094 19.907 19.851 0.00 0.00 -ATOM 2509 O1 H2O 5 167 21.674 25.328 20.529 0.00 0.00 -ATOM 2510 H1 H2O 5 167 22.345 25.389 19.790 0.00 0.00 -ATOM 2511 H2 H2O 5 167 20.853 25.841 20.279 0.00 0.00 -ATOM 2512 O1 H2O 6 168 14.531 18.966 20.804 0.00 0.00 -ATOM 2513 H1 H2O 6 168 14.340 17.985 20.827 0.00 0.00 -ATOM 2514 H2 H2O 6 168 14.440 19.346 21.725 0.00 0.00 -ATOM 2515 O1 H2O 7 169 29.248 23.241 22.718 0.00 0.00 -ATOM 2516 H1 H2O 7 169 29.340 22.246 22.766 0.00 0.00 -ATOM 2517 H2 H2O 7 169 28.377 23.515 23.124 0.00 0.00 -ATOM 2518 O1 H2O 8 170 2.874 23.348 19.568 0.00 0.00 -ATOM 2519 H1 H2O 8 170 1.929 23.415 19.888 0.00 0.00 -ATOM 2520 H2 H2O 8 170 3.021 23.999 18.822 0.00 0.00 -ATOM 2521 O1 H2O 9 171 11.643 15.409 20.874 0.00 0.00 -ATOM 2522 H1 H2O 9 171 10.653 15.297 20.789 0.00 0.00 -ATOM 2523 H2 H2O 9 171 11.900 15.388 21.840 0.00 0.00 -ATOM 2524 O1 H2O 0 172 19.523 0.890 19.800 0.00 0.00 -ATOM 2525 H1 H2O 0 172 18.859 0.167 19.607 0.00 0.00 -ATOM 2526 H2 H2O 0 172 19.454 1.158 20.761 0.00 0.00 -ATOM 2527 O1 H2O 1 173 24.808 25.231 20.523 0.00 0.00 -ATOM 2528 H1 H2O 1 173 25.155 25.417 21.442 0.00 0.00 -ATOM 2529 H2 H2O 1 173 24.568 26.093 20.076 0.00 0.00 -ATOM 2530 O1 H2O 2 174 24.044 24.668 23.418 0.00 0.00 -ATOM 2531 H1 H2O 2 174 23.531 25.476 23.128 0.00 0.00 -ATOM 2532 H2 H2O 2 174 23.413 23.907 23.565 0.00 0.00 -ATOM 2533 O1 H2O 3 175 17.855 8.413 23.716 0.00 0.00 -ATOM 2534 H1 H2O 3 175 18.489 9.178 23.600 0.00 0.00 -ATOM 2535 H2 H2O 3 175 17.772 8.193 24.688 0.00 0.00 -ATOM 2536 O1 H2O 4 176 17.193 3.070 19.940 0.00 0.00 -ATOM 2537 H1 H2O 4 176 16.472 3.009 19.249 0.00 0.00 -ATOM 2538 H2 H2O 4 176 18.029 2.651 19.587 0.00 0.00 -ATOM 2539 O1 H2O 5 177 3.320 12.895 20.179 0.00 0.00 -ATOM 2540 H1 H2O 5 177 2.513 12.427 20.539 0.00 0.00 -ATOM 2541 H2 H2O 5 177 3.159 13.882 20.176 0.00 0.00 -ATOM 2542 O1 H2O 6 178 10.677 4.993 21.130 0.00 0.00 -ATOM 2543 H1 H2O 6 178 11.439 4.364 21.280 0.00 0.00 -ATOM 2544 H2 H2O 6 178 9.930 4.768 21.755 0.00 0.00 -ATOM 2545 O1 H2O 7 179 26.631 26.323 22.268 0.00 0.00 -ATOM 2546 H1 H2O 7 179 26.288 27.088 22.813 0.00 0.00 -ATOM 2547 H2 H2O 7 179 27.497 26.002 22.652 0.00 0.00 -ATOM 2548 O1 H2O 8 180 15.320 26.599 23.437 0.00 0.00 -ATOM 2549 H1 H2O 8 180 14.340 26.717 23.273 0.00 0.00 -ATOM 2550 H2 H2O 8 180 15.540 25.624 23.455 0.00 0.00 -ATOM 2551 O1 H2O 9 181 19.213 1.145 22.647 0.00 0.00 -ATOM 2552 H1 H2O 9 181 18.904 0.220 22.867 0.00 0.00 -ATOM 2553 H2 H2O 9 181 20.172 1.247 22.911 0.00 0.00 -ATOM 2554 O1 H2O 0 182 1.548 1.457 22.546 0.00 0.00 -ATOM 2555 H1 H2O 0 182 2.112 2.172 22.960 0.00 0.00 -ATOM 2556 H2 H2O 0 182 0.776 1.252 23.147 0.00 0.00 -ATOM 2557 O1 H2O 1 183 5.084 5.711 19.645 0.00 0.00 -ATOM 2558 H1 H2O 1 183 4.605 4.850 19.474 0.00 0.00 -ATOM 2559 H2 H2O 1 183 6.026 5.519 19.923 0.00 0.00 -ATOM 2560 O1 H2O 2 184 21.040 27.972 22.512 0.00 0.00 -ATOM 2561 H1 H2O 2 184 20.202 28.097 23.043 0.00 0.00 -ATOM 2562 H2 H2O 2 184 20.837 28.073 21.539 0.00 0.00 -ATOM 2563 O1 H2O 3 185 5.768 3.958 23.240 0.00 0.00 -ATOM 2564 H1 H2O 3 185 5.250 3.114 23.377 0.00 0.00 -ATOM 2565 H2 H2O 3 185 5.141 4.736 23.227 0.00 0.00 -ATOM 2566 O1 H2O 4 186 7.442 13.581 23.485 0.00 0.00 -ATOM 2567 H1 H2O 4 186 6.950 12.725 23.643 0.00 0.00 -ATOM 2568 H2 H2O 4 186 8.332 13.383 23.074 0.00 0.00 -ATOM 2569 O1 H2O 5 187 22.349 0.279 19.702 0.00 0.00 -ATOM 2570 H1 H2O 5 187 21.472 0.755 19.638 0.00 0.00 -ATOM 2571 H2 H2O 5 187 23.091 0.918 19.500 0.00 0.00 -ATOM 2572 O1 H2O 6 188 10.009 28.093 20.667 0.00 0.00 -ATOM 2573 H1 H2O 6 188 9.379 28.296 19.918 0.00 0.00 -ATOM 2574 H2 H2O 6 188 10.525 27.263 20.455 0.00 0.00 -ATOM 2575 O1 H2O 7 189 22.963 14.487 23.499 0.00 0.00 -ATOM 2576 H1 H2O 7 189 23.155 15.468 23.524 0.00 0.00 -ATOM 2577 H2 H2O 7 189 23.799 13.979 23.709 0.00 0.00 -ATOM 2578 O1 H2O 8 190 5.612 26.452 23.689 0.00 0.00 -ATOM 2579 H1 H2O 8 190 5.534 26.376 24.683 0.00 0.00 -ATOM 2580 H2 H2O 8 190 4.906 25.891 23.256 0.00 0.00 -ATOM 2581 O1 H2O 9 191 16.421 10.384 22.395 0.00 0.00 -ATOM 2582 H1 H2O 9 191 16.869 11.216 22.723 0.00 0.00 -ATOM 2583 H2 H2O 9 191 16.849 9.586 22.819 0.00 0.00 -ATOM 2584 O1 H2O 0 192 11.675 0.490 20.284 0.00 0.00 -ATOM 2585 H1 H2O 0 192 11.115 1.270 20.002 0.00 0.00 -ATOM 2586 H2 H2O 0 192 11.084 -0.294 20.472 0.00 0.00 -ATOM 2587 O1 H2O 1 193 25.519 21.613 22.244 0.00 0.00 -ATOM 2588 H1 H2O 1 193 26.380 21.533 21.741 0.00 0.00 -ATOM 2589 H2 H2O 1 193 24.821 22.011 21.650 0.00 0.00 -ATOM 2590 O1 H2O 2 194 14.259 8.569 20.133 0.00 0.00 -ATOM 2591 H1 H2O 2 194 14.206 9.534 19.876 0.00 0.00 -ATOM 2592 H2 H2O 2 194 15.189 8.234 19.982 0.00 0.00 -ATOM 2593 O1 H2O 3 195 6.998 20.491 23.621 0.00 0.00 -ATOM 2594 H1 H2O 3 195 7.175 20.455 24.604 0.00 0.00 -ATOM 2595 H2 H2O 3 195 6.128 20.040 23.422 0.00 0.00 -ATOM 2596 O1 H2O 4 196 21.585 4.209 22.871 0.00 0.00 -ATOM 2597 H1 H2O 4 196 21.756 4.176 21.887 0.00 0.00 -ATOM 2598 H2 H2O 4 196 21.567 3.279 23.238 0.00 0.00 -ATOM 2599 O1 H2O 5 197 26.961 13.341 20.659 0.00 0.00 -ATOM 2600 H1 H2O 5 197 26.890 14.287 20.343 0.00 0.00 -ATOM 2601 H2 H2O 5 197 27.725 12.891 20.197 0.00 0.00 -ATOM 2602 O1 H2O 6 198 19.634 15.956 20.326 0.00 0.00 -ATOM 2603 H1 H2O 6 198 19.472 16.866 19.945 0.00 0.00 -ATOM 2604 H2 H2O 6 198 18.840 15.375 20.150 0.00 0.00 -ATOM 2605 O1 H2O 7 199 26.120 28.451 23.712 0.00 0.00 -ATOM 2606 H1 H2O 7 199 25.976 28.839 24.622 0.00 0.00 -ATOM 2607 H2 H2O 7 199 26.944 28.848 23.307 0.00 0.00 -ATOM 2608 O1 H2O 8 200 7.656 0.670 23.721 0.00 0.00 -ATOM 2609 H1 H2O 8 200 8.231 1.323 24.215 0.00 0.00 -ATOM 2610 H2 H2O 8 200 7.926 -0.262 23.963 0.00 0.00 -ATOM 2611 O1 H2O 9 201 11.279 23.306 19.804 0.00 0.00 -ATOM 2612 H1 H2O 9 201 11.051 23.215 18.834 0.00 0.00 -ATOM 2613 H2 H2O 9 201 11.901 22.570 20.070 0.00 0.00 -ATOM 2614 O1 H2O 0 202 17.146 19.534 19.948 0.00 0.00 -ATOM 2615 H1 H2O 0 202 16.948 20.027 19.101 0.00 0.00 -ATOM 2616 H2 H2O 0 202 16.298 19.158 20.321 0.00 0.00 -ATOM 2617 O1 H2O 1 203 15.293 16.416 19.857 0.00 0.00 -ATOM 2618 H1 H2O 1 203 14.725 15.603 19.734 0.00 0.00 -ATOM 2619 H2 H2O 1 203 15.854 16.557 19.041 0.00 0.00 -ATOM 2620 O1 H2O 2 204 11.701 10.545 20.737 0.00 0.00 -ATOM 2621 H1 H2O 2 204 11.594 9.573 20.525 0.00 0.00 -ATOM 2622 H2 H2O 2 204 12.663 10.801 20.647 0.00 0.00 -ATOM 2623 O1 h2o 1 205 29.107 11.767 19.581 0.00 0.00 -ATOM 2624 H1 h2o 1 205 28.759 10.845 19.748 0.00 0.00 -ATOM 2625 H2 h2o 1 205 29.530 11.805 18.675 0.00 0.00 -ATOM 2626 O1 h2o 2 206 2.110 10.436 19.761 0.00 0.00 -ATOM 2627 H1 h2o 2 206 2.221 9.520 20.146 0.00 0.00 -ATOM 2628 H2 h2o 2 206 1.186 10.767 19.950 0.00 0.00 -ATOM 2629 O1 h2o 3 207 6.347 25.394 19.896 0.00 0.00 -ATOM 2630 H1 h2o 3 207 6.118 26.294 19.524 0.00 0.00 -ATOM 2631 H2 h2o 3 207 6.418 25.453 20.892 0.00 0.00 -ATOM 2632 O1 h2o 4 208 0.828 28.905 24.062 0.00 0.00 -ATOM 2633 H1 h2o 4 208 -0.147 28.697 24.150 0.00 0.00 -ATOM 2634 H2 h2o 4 208 1.240 28.959 24.972 0.00 0.00 -ATOM 2635 O1 h2o 5 209 15.812 5.966 20.599 0.00 0.00 -ATOM 2636 H1 h2o 5 209 16.168 5.665 21.484 0.00 0.00 -ATOM 2637 H2 h2o 5 209 15.088 6.640 20.742 0.00 0.00 -END -REMARK GOMC 8 7000000 -CRYST1 29.472 29.777 26.750 90.00 90.00 90.00 P 1 1 -ATOM 1 C1 TOP 1 1 15.350 15.597 10.050 0.00 1.00 -ATOM 2 C2 TOP 1 1 15.350 15.597 13.400 0.00 1.00 -ATOM 3 C3 TOP 1 1 15.350 15.597 16.750 0.00 1.00 -ATOM 4 C4 TOP 1 1 14.122 17.724 10.050 0.00 1.00 -ATOM 5 C5 TOP 1 1 14.122 17.724 13.400 0.00 1.00 -ATOM 6 C6 TOP 1 1 14.122 17.724 16.750 0.00 1.00 -ATOM 7 C7 TOP 1 1 12.894 19.851 10.050 0.00 1.00 -ATOM 8 C8 TOP 1 1 12.894 19.851 13.400 0.00 1.00 -ATOM 9 C9 TOP 1 1 12.894 19.851 16.750 0.00 1.00 -ATOM 10 CA TOP 1 1 11.666 21.978 10.050 0.00 1.00 -ATOM 11 CB TOP 1 1 11.666 21.978 13.400 0.00 1.00 -ATOM 12 CC TOP 1 1 11.666 21.978 16.750 0.00 1.00 -ATOM 13 CD TOP 1 1 10.438 24.105 10.050 0.00 1.00 -ATOM 14 CE TOP 1 1 10.438 24.105 13.400 0.00 1.00 -ATOM 15 CF TOP 1 1 10.438 24.105 16.750 0.00 1.00 -ATOM 16 CG TOP 1 1 9.210 26.232 10.050 0.00 1.00 -ATOM 17 CH TOP 1 1 9.210 26.232 13.400 0.00 1.00 -ATOM 18 CI TOP 1 1 9.210 26.232 16.750 0.00 1.00 -ATOM 19 CJ TOP 1 1 7.982 28.359 10.050 0.00 1.00 -ATOM 20 CK TOP 1 1 7.982 28.359 13.400 0.00 1.00 -ATOM 21 CL TOP 1 1 7.982 28.359 16.750 0.00 1.00 -ATOM 22 CM TOP 1 1 6.754 0.709 10.050 0.00 1.00 -ATOM 23 CN TOP 1 1 6.754 0.709 13.400 0.00 1.00 -ATOM 24 CO TOP 1 1 6.754 0.709 16.750 0.00 1.00 -ATOM 25 CP TOP 1 1 5.526 2.836 10.050 0.00 1.00 -ATOM 26 CQ TOP 1 1 5.526 2.836 13.400 0.00 1.00 -ATOM 27 CR TOP 1 1 5.526 2.836 16.750 0.00 1.00 -ATOM 28 CS TOP 1 1 4.298 4.963 10.050 0.00 1.00 -ATOM 29 CT TOP 1 1 4.298 4.963 13.400 0.00 1.00 -ATOM 30 CU TOP 1 1 4.298 4.963 16.750 0.00 1.00 -ATOM 31 CV TOP 1 1 3.070 7.090 10.050 0.00 1.00 -ATOM 32 CW TOP 1 1 3.070 7.090 13.400 0.00 1.00 -ATOM 33 CX TOP 1 1 3.070 7.090 16.750 0.00 1.00 -ATOM 34 CY TOP 1 1 1.842 9.217 10.050 0.00 1.00 -ATOM 35 CZ TOP 1 1 1.842 9.217 13.400 0.00 1.00 -ATOM 36 Ca TOP 1 1 1.842 9.217 16.750 0.00 1.00 -ATOM 37 Cb TOP 1 1 0.614 11.344 10.050 0.00 1.00 -ATOM 38 Cc TOP 1 1 0.614 11.344 13.400 0.00 1.00 -ATOM 39 Cd TOP 1 1 0.614 11.344 16.750 0.00 1.00 -ATOM 40 Ce TOP 1 1 28.858 13.471 10.050 0.00 1.00 -ATOM 41 Cf TOP 1 1 28.858 13.471 13.400 0.00 1.00 -ATOM 42 Cg TOP 1 1 28.858 13.471 16.750 0.00 1.00 -ATOM 43 Ch TOP 1 1 17.806 15.597 10.050 0.00 1.00 -ATOM 44 Ci TOP 1 1 17.806 15.597 13.400 0.00 1.00 -ATOM 45 Cj TOP 1 1 17.806 15.597 16.750 0.00 1.00 -ATOM 46 Ck TOP 1 1 16.578 17.724 10.050 0.00 1.00 -ATOM 47 Cl TOP 1 1 16.578 17.724 13.400 0.00 1.00 -ATOM 48 Cm TOP 1 1 16.578 17.724 16.750 0.00 1.00 -ATOM 49 Cn TOP 1 1 15.350 19.851 10.050 0.00 1.00 -ATOM 50 Co TOP 1 1 15.350 19.851 13.400 0.00 1.00 -ATOM 51 Cp TOP 1 1 15.350 19.851 16.750 0.00 1.00 -ATOM 52 Cq TOP 1 1 14.122 21.978 10.050 0.00 1.00 -ATOM 53 Cr TOP 1 1 14.122 21.978 13.400 0.00 1.00 -ATOM 54 Cs TOP 1 1 14.122 21.978 16.750 0.00 1.00 -ATOM 55 Ct TOP 1 1 12.894 24.105 10.050 0.00 1.00 -ATOM 56 Cu TOP 1 1 12.894 24.105 13.400 0.00 1.00 -ATOM 57 Cv TOP 1 1 12.894 24.105 16.750 0.00 1.00 -ATOM 58 Cw TOP 1 1 11.666 26.232 10.050 0.00 1.00 -ATOM 59 Cx TOP 1 1 11.666 26.232 13.400 0.00 1.00 -ATOM 60 Cy TOP 1 1 11.666 26.232 16.750 0.00 1.00 -ATOM 61 Cz TOP 1 1 10.438 28.359 10.050 0.00 1.00 -ATOM 62 C10 TOP 1 1 10.438 28.359 13.400 0.00 1.00 -ATOM 63 C11 TOP 1 1 10.438 28.359 16.750 0.00 1.00 -ATOM 64 C12 TOP 1 1 9.210 0.709 10.050 0.00 1.00 -ATOM 65 C13 TOP 1 1 9.210 0.709 13.400 0.00 1.00 -ATOM 66 C14 TOP 1 1 9.210 0.709 16.750 0.00 1.00 -ATOM 67 C15 TOP 1 1 7.982 2.836 10.050 0.00 1.00 -ATOM 68 C16 TOP 1 1 7.982 2.836 13.400 0.00 1.00 -ATOM 69 C17 TOP 1 1 7.982 2.836 16.750 0.00 1.00 -ATOM 70 C18 TOP 1 1 6.754 4.963 10.050 0.00 1.00 -ATOM 71 C19 TOP 1 1 6.754 4.963 13.400 0.00 1.00 -ATOM 72 C1A TOP 1 1 6.754 4.963 16.750 0.00 1.00 -ATOM 73 C1B TOP 1 1 5.526 7.090 10.050 0.00 1.00 -ATOM 74 C1C TOP 1 1 5.526 7.090 13.400 0.00 1.00 -ATOM 75 C1D TOP 1 1 5.526 7.090 16.750 0.00 1.00 -ATOM 76 C1E TOP 1 1 4.298 9.217 10.050 0.00 1.00 -ATOM 77 C1F TOP 1 1 4.298 9.217 13.400 0.00 1.00 -ATOM 78 C1G TOP 1 1 4.298 9.217 16.750 0.00 1.00 -ATOM 79 C1H TOP 1 1 3.070 11.344 10.050 0.00 1.00 -ATOM 80 C1I TOP 1 1 3.070 11.344 13.400 0.00 1.00 -ATOM 81 C1J TOP 1 1 3.070 11.344 16.750 0.00 1.00 -ATOM 82 C1K TOP 1 1 1.842 13.471 10.050 0.00 1.00 -ATOM 83 C1L TOP 1 1 1.842 13.471 13.400 0.00 1.00 -ATOM 84 C1M TOP 1 1 1.842 13.471 16.750 0.00 1.00 -ATOM 85 C1N TOP 1 1 20.262 15.597 10.050 0.00 1.00 -ATOM 86 C1O TOP 1 1 20.262 15.597 13.400 0.00 1.00 -ATOM 87 C1P TOP 1 1 20.262 15.597 16.750 0.00 1.00 -ATOM 88 C1Q TOP 1 1 19.034 17.724 10.050 0.00 1.00 -ATOM 89 C1R TOP 1 1 19.034 17.724 13.400 0.00 1.00 -ATOM 90 C1S TOP 1 1 19.034 17.724 16.750 0.00 1.00 -ATOM 91 C1T TOP 1 1 17.806 19.851 10.050 0.00 1.00 -ATOM 92 C1U TOP 1 1 17.806 19.851 13.400 0.00 1.00 -ATOM 93 C1V TOP 1 1 17.806 19.851 16.750 0.00 1.00 -ATOM 94 C1W TOP 1 1 16.578 21.978 10.050 0.00 1.00 -ATOM 95 C1X TOP 1 1 16.578 21.978 13.400 0.00 1.00 -ATOM 96 C1Y TOP 1 1 16.578 21.978 16.750 0.00 1.00 -ATOM 97 C1Z TOP 1 1 15.350 24.105 10.050 0.00 1.00 -ATOM 98 C1a TOP 1 1 15.350 24.105 13.400 0.00 1.00 -ATOM 99 C1b TOP 1 1 15.350 24.105 16.750 0.00 1.00 -ATOM 100 C1c TOP 1 1 14.122 26.232 10.050 0.00 1.00 -ATOM 101 C1d TOP 1 1 14.122 26.232 13.400 0.00 1.00 -ATOM 102 C1e TOP 1 1 14.122 26.232 16.750 0.00 1.00 -ATOM 103 C1f TOP 1 1 12.894 28.359 10.050 0.00 1.00 -ATOM 104 C1g TOP 1 1 12.894 28.359 13.400 0.00 1.00 -ATOM 105 C1h TOP 1 1 12.894 28.359 16.750 0.00 1.00 -ATOM 106 C1i TOP 1 1 11.666 0.709 10.050 0.00 1.00 -ATOM 107 C1j TOP 1 1 11.666 0.709 13.400 0.00 1.00 -ATOM 108 C1k TOP 1 1 11.666 0.709 16.750 0.00 1.00 -ATOM 109 C1l TOP 1 1 10.438 2.836 10.050 0.00 1.00 -ATOM 110 C1m TOP 1 1 10.438 2.836 13.400 0.00 1.00 -ATOM 111 C1n TOP 1 1 10.438 2.836 16.750 0.00 1.00 -ATOM 112 C1o TOP 1 1 9.210 4.963 10.050 0.00 1.00 -ATOM 113 C1p TOP 1 1 9.210 4.963 13.400 0.00 1.00 -ATOM 114 C1q TOP 1 1 9.210 4.963 16.750 0.00 1.00 -ATOM 115 C1r TOP 1 1 7.982 7.090 10.050 0.00 1.00 -ATOM 116 C1s TOP 1 1 7.982 7.090 13.400 0.00 1.00 -ATOM 117 C1t TOP 1 1 7.982 7.090 16.750 0.00 1.00 -ATOM 118 C1u TOP 1 1 6.754 9.217 10.050 0.00 1.00 -ATOM 119 C1v TOP 1 1 6.754 9.217 13.400 0.00 1.00 -ATOM 120 C1w TOP 1 1 6.754 9.217 16.750 0.00 1.00 -ATOM 121 C1x TOP 1 1 5.526 11.344 10.050 0.00 1.00 -ATOM 122 C1y TOP 1 1 5.526 11.344 13.400 0.00 1.00 -ATOM 123 C1z TOP 1 1 5.526 11.344 16.750 0.00 1.00 -ATOM 124 C20 TOP 1 1 4.298 13.471 10.050 0.00 1.00 -ATOM 125 C21 TOP 1 1 4.298 13.471 13.400 0.00 1.00 -ATOM 126 C22 TOP 1 1 4.298 13.471 16.750 0.00 1.00 -ATOM 127 C23 TOP 1 1 22.718 15.597 10.050 0.00 1.00 -ATOM 128 C24 TOP 1 1 22.718 15.597 13.400 0.00 1.00 -ATOM 129 C25 TOP 1 1 22.718 15.597 16.750 0.00 1.00 -ATOM 130 C26 TOP 1 1 21.490 17.724 10.050 0.00 1.00 -ATOM 131 C27 TOP 1 1 21.490 17.724 13.400 0.00 1.00 -ATOM 132 C28 TOP 1 1 21.490 17.724 16.750 0.00 1.00 -ATOM 133 C29 TOP 1 1 20.262 19.851 10.050 0.00 1.00 -ATOM 134 C2A TOP 1 1 20.262 19.851 13.400 0.00 1.00 -ATOM 135 C2B TOP 1 1 20.262 19.851 16.750 0.00 1.00 -ATOM 136 C2C TOP 1 1 19.034 21.978 10.050 0.00 1.00 -ATOM 137 C2D TOP 1 1 19.034 21.978 13.400 0.00 1.00 -ATOM 138 C2E TOP 1 1 19.034 21.978 16.750 0.00 1.00 -ATOM 139 C2F TOP 1 1 17.806 24.105 10.050 0.00 1.00 -ATOM 140 C2G TOP 1 1 17.806 24.105 13.400 0.00 1.00 -ATOM 141 C2H TOP 1 1 17.806 24.105 16.750 0.00 1.00 -ATOM 142 C2I TOP 1 1 16.578 26.232 10.050 0.00 1.00 -ATOM 143 C2J TOP 1 1 16.578 26.232 13.400 0.00 1.00 -ATOM 144 C2K TOP 1 1 16.578 26.232 16.750 0.00 1.00 -ATOM 145 C2L TOP 1 1 15.350 28.359 10.050 0.00 1.00 -ATOM 146 C2M TOP 1 1 15.350 28.359 13.400 0.00 1.00 -ATOM 147 C2N TOP 1 1 15.350 28.359 16.750 0.00 1.00 -ATOM 148 C2O TOP 1 1 14.122 0.709 10.050 0.00 1.00 -ATOM 149 C2P TOP 1 1 14.122 0.709 13.400 0.00 1.00 -ATOM 150 C2Q TOP 1 1 14.122 0.709 16.750 0.00 1.00 -ATOM 151 C2R TOP 1 1 12.894 2.836 10.050 0.00 1.00 -ATOM 152 C2S TOP 1 1 12.894 2.836 13.400 0.00 1.00 -ATOM 153 C2T TOP 1 1 12.894 2.836 16.750 0.00 1.00 -ATOM 154 C2U TOP 1 1 11.666 4.963 10.050 0.00 1.00 -ATOM 155 C2V TOP 1 1 11.666 4.963 13.400 0.00 1.00 -ATOM 156 C2W TOP 1 1 11.666 4.963 16.750 0.00 1.00 -ATOM 157 C2X TOP 1 1 10.438 7.090 10.050 0.00 1.00 -ATOM 158 C2Y TOP 1 1 10.438 7.090 13.400 0.00 1.00 -ATOM 159 C2Z TOP 1 1 10.438 7.090 16.750 0.00 1.00 -ATOM 160 C2a TOP 1 1 9.210 9.217 10.050 0.00 1.00 -ATOM 161 C2b TOP 1 1 9.210 9.217 13.400 0.00 1.00 -ATOM 162 C2c TOP 1 1 9.210 9.217 16.750 0.00 1.00 -ATOM 163 C2d TOP 1 1 7.982 11.344 10.050 0.00 1.00 -ATOM 164 C2e TOP 1 1 7.982 11.344 13.400 0.00 1.00 -ATOM 165 C2f TOP 1 1 7.982 11.344 16.750 0.00 1.00 -ATOM 166 C2g TOP 1 1 6.754 13.471 10.050 0.00 1.00 -ATOM 167 C2h TOP 1 1 6.754 13.471 13.400 0.00 1.00 -ATOM 168 C2i TOP 1 1 6.754 13.471 16.750 0.00 1.00 -ATOM 169 C2j TOP 1 1 25.174 15.597 10.050 0.00 1.00 -ATOM 170 C2k TOP 1 1 25.174 15.597 13.400 0.00 1.00 -ATOM 171 C2l TOP 1 1 25.174 15.597 16.750 0.00 1.00 -ATOM 172 C2m TOP 1 1 23.946 17.724 10.050 0.00 1.00 -ATOM 173 C2n TOP 1 1 23.946 17.724 13.400 0.00 1.00 -ATOM 174 C2o TOP 1 1 23.946 17.724 16.750 0.00 1.00 -ATOM 175 C2p TOP 1 1 22.718 19.851 10.050 0.00 1.00 -ATOM 176 C2q TOP 1 1 22.718 19.851 13.400 0.00 1.00 -ATOM 177 C2r TOP 1 1 22.718 19.851 16.750 0.00 1.00 -ATOM 178 C2s TOP 1 1 21.490 21.978 10.050 0.00 1.00 -ATOM 179 C2t TOP 1 1 21.490 21.978 13.400 0.00 1.00 -ATOM 180 C2u TOP 1 1 21.490 21.978 16.750 0.00 1.00 -ATOM 181 C2v TOP 1 1 20.262 24.105 10.050 0.00 1.00 -ATOM 182 C2w TOP 1 1 20.262 24.105 13.400 0.00 1.00 -ATOM 183 C2x TOP 1 1 20.262 24.105 16.750 0.00 1.00 -ATOM 184 C2y TOP 1 1 19.034 26.232 10.050 0.00 1.00 -ATOM 185 C2z TOP 1 1 19.034 26.232 13.400 0.00 1.00 -ATOM 186 C30 TOP 1 1 19.034 26.232 16.750 0.00 1.00 -ATOM 187 C31 TOP 1 1 17.806 28.359 10.050 0.00 1.00 -ATOM 188 C32 TOP 1 1 17.806 28.359 13.400 0.00 1.00 -ATOM 189 C33 TOP 1 1 17.806 28.359 16.750 0.00 1.00 -ATOM 190 C34 TOP 1 1 16.578 0.709 10.050 0.00 1.00 -ATOM 191 C35 TOP 1 1 16.578 0.709 13.400 0.00 1.00 -ATOM 192 C36 TOP 1 1 16.578 0.709 16.750 0.00 1.00 -ATOM 193 C37 TOP 1 1 15.350 2.836 10.050 0.00 1.00 -ATOM 194 C38 TOP 1 1 15.350 2.836 13.400 0.00 1.00 -ATOM 195 C39 TOP 1 1 15.350 2.836 16.750 0.00 1.00 -ATOM 196 C3A TOP 1 1 14.122 4.963 10.050 0.00 1.00 -ATOM 197 C3B TOP 1 1 14.122 4.963 13.400 0.00 1.00 -ATOM 198 C3C TOP 1 1 14.122 4.963 16.750 0.00 1.00 -ATOM 199 C3D TOP 1 1 12.894 7.090 10.050 0.00 1.00 -ATOM 200 C3E TOP 1 1 12.894 7.090 13.400 0.00 1.00 -ATOM 201 C3F TOP 1 1 12.894 7.090 16.750 0.00 1.00 -ATOM 202 C3G TOP 1 1 11.666 9.217 10.050 0.00 1.00 -ATOM 203 C3H TOP 1 1 11.666 9.217 13.400 0.00 1.00 -ATOM 204 C3I TOP 1 1 11.666 9.217 16.750 0.00 1.00 -ATOM 205 C3J TOP 1 1 10.438 11.344 10.050 0.00 1.00 -ATOM 206 C3K TOP 1 1 10.438 11.344 13.400 0.00 1.00 -ATOM 207 C3L TOP 1 1 10.438 11.344 16.750 0.00 1.00 -ATOM 208 C3M TOP 1 1 9.210 13.471 10.050 0.00 1.00 -ATOM 209 C3N TOP 1 1 9.210 13.471 13.400 0.00 1.00 -ATOM 210 C3O TOP 1 1 9.210 13.471 16.750 0.00 1.00 -ATOM 211 C3P TOP 1 1 27.630 15.597 10.050 0.00 1.00 -ATOM 212 C3Q TOP 1 1 27.630 15.597 13.400 0.00 1.00 -ATOM 213 C3R TOP 1 1 27.630 15.597 16.750 0.00 1.00 -ATOM 214 C3S TOP 1 1 26.402 17.724 10.050 0.00 1.00 -ATOM 215 C3T TOP 1 1 26.402 17.724 13.400 0.00 1.00 -ATOM 216 C3U TOP 1 1 26.402 17.724 16.750 0.00 1.00 -ATOM 217 C3V TOP 1 1 25.174 19.851 10.050 0.00 1.00 -ATOM 218 C3W TOP 1 1 25.174 19.851 13.400 0.00 1.00 -ATOM 219 C3X TOP 1 1 25.174 19.851 16.750 0.00 1.00 -ATOM 220 C3Y TOP 1 1 23.946 21.978 10.050 0.00 1.00 -ATOM 221 C3Z TOP 1 1 23.946 21.978 13.400 0.00 1.00 -ATOM 222 C3a TOP 1 1 23.946 21.978 16.750 0.00 1.00 -ATOM 223 C3b TOP 1 1 22.718 24.105 10.050 0.00 1.00 -ATOM 224 C3c TOP 1 1 22.718 24.105 13.400 0.00 1.00 -ATOM 225 C3d TOP 1 1 22.718 24.105 16.750 0.00 1.00 -ATOM 226 C3e TOP 1 1 21.490 26.232 10.050 0.00 1.00 -ATOM 227 C3f TOP 1 1 21.490 26.232 13.400 0.00 1.00 -ATOM 228 C3g TOP 1 1 21.490 26.232 16.750 0.00 1.00 -ATOM 229 C3h TOP 1 1 20.262 28.359 10.050 0.00 1.00 -ATOM 230 C3i TOP 1 1 20.262 28.359 13.400 0.00 1.00 -ATOM 231 C3j TOP 1 1 20.262 28.359 16.750 0.00 1.00 -ATOM 232 C3k TOP 1 1 19.034 0.709 10.050 0.00 1.00 -ATOM 233 C3l TOP 1 1 19.034 0.709 13.400 0.00 1.00 -ATOM 234 C3m TOP 1 1 19.034 0.709 16.750 0.00 1.00 -ATOM 235 C3n TOP 1 1 17.806 2.836 10.050 0.00 1.00 -ATOM 236 C3o TOP 1 1 17.806 2.836 13.400 0.00 1.00 -ATOM 237 C3p TOP 1 1 17.806 2.836 16.750 0.00 1.00 -ATOM 238 C3q TOP 1 1 16.578 4.963 10.050 0.00 1.00 -ATOM 239 C3r TOP 1 1 16.578 4.963 13.400 0.00 1.00 -ATOM 240 C3s TOP 1 1 16.578 4.963 16.750 0.00 1.00 -ATOM 241 C3t TOP 1 1 15.350 7.090 10.050 0.00 1.00 -ATOM 242 C3u TOP 1 1 15.350 7.090 13.400 0.00 1.00 -ATOM 243 C3v TOP 1 1 15.350 7.090 16.750 0.00 1.00 -ATOM 244 C3w TOP 1 1 14.122 9.217 10.050 0.00 1.00 -ATOM 245 C3x TOP 1 1 14.122 9.217 13.400 0.00 1.00 -ATOM 246 C3y TOP 1 1 14.122 9.217 16.750 0.00 1.00 -ATOM 247 C3z TOP 1 1 12.894 11.344 10.050 0.00 1.00 -ATOM 248 C40 TOP 1 1 12.894 11.344 13.400 0.00 1.00 -ATOM 249 C41 TOP 1 1 12.894 11.344 16.750 0.00 1.00 -ATOM 250 C42 TOP 1 1 11.666 13.471 10.050 0.00 1.00 -ATOM 251 C43 TOP 1 1 11.666 13.471 13.400 0.00 1.00 -ATOM 252 C44 TOP 1 1 11.666 13.471 16.750 0.00 1.00 -ATOM 253 C45 TOP 1 1 0.614 15.597 10.050 0.00 1.00 -ATOM 254 C46 TOP 1 1 0.614 15.597 13.400 0.00 1.00 -ATOM 255 C47 TOP 1 1 0.614 15.597 16.750 0.00 1.00 -ATOM 256 C48 TOP 1 1 28.858 17.724 10.050 0.00 1.00 -ATOM 257 C49 TOP 1 1 28.858 17.724 13.400 0.00 1.00 -ATOM 258 C4A TOP 1 1 28.858 17.724 16.750 0.00 1.00 -ATOM 259 C4B TOP 1 1 27.630 19.851 10.050 0.00 1.00 -ATOM 260 C4C TOP 1 1 27.630 19.851 13.400 0.00 1.00 -ATOM 261 C4D TOP 1 1 27.630 19.851 16.750 0.00 1.00 -ATOM 262 C4E TOP 1 1 26.402 21.978 10.050 0.00 1.00 -ATOM 263 C4F TOP 1 1 26.402 21.978 13.400 0.00 1.00 -ATOM 264 C4G TOP 1 1 26.402 21.978 16.750 0.00 1.00 -ATOM 265 C4H TOP 1 1 25.174 24.105 10.050 0.00 1.00 -ATOM 266 C4I TOP 1 1 25.174 24.105 13.400 0.00 1.00 -ATOM 267 C4J TOP 1 1 25.174 24.105 16.750 0.00 1.00 -ATOM 268 C4K TOP 1 1 23.946 26.232 10.050 0.00 1.00 -ATOM 269 C4L TOP 1 1 23.946 26.232 13.400 0.00 1.00 -ATOM 270 C4M TOP 1 1 23.946 26.232 16.750 0.00 1.00 -ATOM 271 C4N TOP 1 1 22.718 28.359 10.050 0.00 1.00 -ATOM 272 C4O TOP 1 1 22.718 28.359 13.400 0.00 1.00 -ATOM 273 C4P TOP 1 1 22.718 28.359 16.750 0.00 1.00 -ATOM 274 C4Q TOP 1 1 21.490 0.709 10.050 0.00 1.00 -ATOM 275 C4R TOP 1 1 21.490 0.709 13.400 0.00 1.00 -ATOM 276 C4S TOP 1 1 21.490 0.709 16.750 0.00 1.00 -ATOM 277 C4T TOP 1 1 20.262 2.836 10.050 0.00 1.00 -ATOM 278 C4U TOP 1 1 20.262 2.836 13.400 0.00 1.00 -ATOM 279 C4V TOP 1 1 20.262 2.836 16.750 0.00 1.00 -ATOM 280 C4W TOP 1 1 19.034 4.963 10.050 0.00 1.00 -ATOM 281 C4X TOP 1 1 19.034 4.963 13.400 0.00 1.00 -ATOM 282 C4Y TOP 1 1 19.034 4.963 16.750 0.00 1.00 -ATOM 283 C4Z TOP 1 1 17.806 7.090 10.050 0.00 1.00 -ATOM 284 C4a TOP 1 1 17.806 7.090 13.400 0.00 1.00 -ATOM 285 C4b TOP 1 1 17.806 7.090 16.750 0.00 1.00 -ATOM 286 C4c TOP 1 1 16.578 9.217 10.050 0.00 1.00 -ATOM 287 C4d TOP 1 1 16.578 9.217 13.400 0.00 1.00 -ATOM 288 C4e TOP 1 1 16.578 9.217 16.750 0.00 1.00 -ATOM 289 C4f TOP 1 1 15.350 11.344 10.050 0.00 1.00 -ATOM 290 C4g TOP 1 1 15.350 11.344 13.400 0.00 1.00 -ATOM 291 C4h TOP 1 1 15.350 11.344 16.750 0.00 1.00 -ATOM 292 C4i TOP 1 1 14.122 13.471 10.050 0.00 1.00 -ATOM 293 C4j TOP 1 1 14.122 13.471 13.400 0.00 1.00 -ATOM 294 C4k TOP 1 1 14.122 13.471 16.750 0.00 1.00 -ATOM 295 C4l TOP 1 1 3.070 15.597 10.050 0.00 1.00 -ATOM 296 C4m TOP 1 1 3.070 15.597 13.400 0.00 1.00 -ATOM 297 C4n TOP 1 1 3.070 15.597 16.750 0.00 1.00 -ATOM 298 C4o TOP 1 1 1.842 17.724 10.050 0.00 1.00 -ATOM 299 C4p TOP 1 1 1.842 17.724 13.400 0.00 1.00 -ATOM 300 C4q TOP 1 1 1.842 17.724 16.750 0.00 1.00 -ATOM 301 C4r TOP 1 1 0.614 19.851 10.050 0.00 1.00 -ATOM 302 C4s TOP 1 1 0.614 19.851 13.400 0.00 1.00 -ATOM 303 C4t TOP 1 1 0.614 19.851 16.750 0.00 1.00 -ATOM 304 C4u TOP 1 1 28.858 21.978 10.050 0.00 1.00 -ATOM 305 C4v TOP 1 1 28.858 21.978 13.400 0.00 1.00 -ATOM 306 C4w TOP 1 1 28.858 21.978 16.750 0.00 1.00 -ATOM 307 C4x TOP 1 1 27.630 24.105 10.050 0.00 1.00 -ATOM 308 C4y TOP 1 1 27.630 24.105 13.400 0.00 1.00 -ATOM 309 C4z TOP 1 1 27.630 24.105 16.750 0.00 1.00 -ATOM 310 C50 TOP 1 1 26.402 26.232 10.050 0.00 1.00 -ATOM 311 C51 TOP 1 1 26.402 26.232 13.400 0.00 1.00 -ATOM 312 C52 TOP 1 1 26.402 26.232 16.750 0.00 1.00 -ATOM 313 C53 TOP 1 1 25.174 28.359 10.050 0.00 1.00 -ATOM 314 C54 TOP 1 1 25.174 28.359 13.400 0.00 1.00 -ATOM 315 C55 TOP 1 1 25.174 28.359 16.750 0.00 1.00 -ATOM 316 C56 TOP 1 1 23.946 0.709 10.050 0.00 1.00 -ATOM 317 C57 TOP 1 1 23.946 0.709 13.400 0.00 1.00 -ATOM 318 C58 TOP 1 1 23.946 0.709 16.750 0.00 1.00 -ATOM 319 C59 TOP 1 1 22.718 2.836 10.050 0.00 1.00 -ATOM 320 C5A TOP 1 1 22.718 2.836 13.400 0.00 1.00 -ATOM 321 C5B TOP 1 1 22.718 2.836 16.750 0.00 1.00 -ATOM 322 C5C TOP 1 1 21.490 4.963 10.050 0.00 1.00 -ATOM 323 C5D TOP 1 1 21.490 4.963 13.400 0.00 1.00 -ATOM 324 C5E TOP 1 1 21.490 4.963 16.750 0.00 1.00 -ATOM 325 C5F TOP 1 1 20.262 7.090 10.050 0.00 1.00 -ATOM 326 C5G TOP 1 1 20.262 7.090 13.400 0.00 1.00 -ATOM 327 C5H TOP 1 1 20.262 7.090 16.750 0.00 1.00 -ATOM 328 C5I TOP 1 1 19.034 9.217 10.050 0.00 1.00 -ATOM 329 C5J TOP 1 1 19.034 9.217 13.400 0.00 1.00 -ATOM 330 C5K TOP 1 1 19.034 9.217 16.750 0.00 1.00 -ATOM 331 C5L TOP 1 1 17.806 11.344 10.050 0.00 1.00 -ATOM 332 C5M TOP 1 1 17.806 11.344 13.400 0.00 1.00 -ATOM 333 C5N TOP 1 1 17.806 11.344 16.750 0.00 1.00 -ATOM 334 C5O TOP 1 1 16.578 13.471 10.050 0.00 1.00 -ATOM 335 C5P TOP 1 1 16.578 13.471 13.400 0.00 1.00 -ATOM 336 C5Q TOP 1 1 16.578 13.471 16.750 0.00 1.00 -ATOM 337 C5R TOP 1 1 5.526 15.597 10.050 0.00 1.00 -ATOM 338 C5S TOP 1 1 5.526 15.597 13.400 0.00 1.00 -ATOM 339 C5T TOP 1 1 5.526 15.597 16.750 0.00 1.00 -ATOM 340 C5U TOP 1 1 4.298 17.724 10.050 0.00 1.00 -ATOM 341 C5V TOP 1 1 4.298 17.724 13.400 0.00 1.00 -ATOM 342 C5W TOP 1 1 4.298 17.724 16.750 0.00 1.00 -ATOM 343 C5X TOP 1 1 3.070 19.851 10.050 0.00 1.00 -ATOM 344 C5Y TOP 1 1 3.070 19.851 13.400 0.00 1.00 -ATOM 345 C5Z TOP 1 1 3.070 19.851 16.750 0.00 1.00 -ATOM 346 C5a TOP 1 1 1.842 21.978 10.050 0.00 1.00 -ATOM 347 C5b TOP 1 1 1.842 21.978 13.400 0.00 1.00 -ATOM 348 C5c TOP 1 1 1.842 21.978 16.750 0.00 1.00 -ATOM 349 C5d TOP 1 1 0.614 24.105 10.050 0.00 1.00 -ATOM 350 C5e TOP 1 1 0.614 24.105 13.400 0.00 1.00 -ATOM 351 C5f TOP 1 1 0.614 24.105 16.750 0.00 1.00 -ATOM 352 C5g TOP 1 1 28.858 26.232 10.050 0.00 1.00 -ATOM 353 C5h TOP 1 1 28.858 26.232 13.400 0.00 1.00 -ATOM 354 C5i TOP 1 1 28.858 26.232 16.750 0.00 1.00 -ATOM 355 C5j TOP 1 1 27.630 28.359 10.050 0.00 1.00 -ATOM 356 C5k TOP 1 1 27.630 28.359 13.400 0.00 1.00 -ATOM 357 C5l TOP 1 1 27.630 28.359 16.750 0.00 1.00 -ATOM 358 C5m TOP 1 1 26.402 0.709 10.050 0.00 1.00 -ATOM 359 C5n TOP 1 1 26.402 0.709 13.400 0.00 1.00 -ATOM 360 C5o TOP 1 1 26.402 0.709 16.750 0.00 1.00 -ATOM 361 C5p TOP 1 1 25.174 2.836 10.050 0.00 1.00 -ATOM 362 C5q TOP 1 1 25.174 2.836 13.400 0.00 1.00 -ATOM 363 C5r TOP 1 1 25.174 2.836 16.750 0.00 1.00 -ATOM 364 C5s TOP 1 1 23.946 4.963 10.050 0.00 1.00 -ATOM 365 C5t TOP 1 1 23.946 4.963 13.400 0.00 1.00 -ATOM 366 C5u TOP 1 1 23.946 4.963 16.750 0.00 1.00 -ATOM 367 C5v TOP 1 1 22.718 7.090 10.050 0.00 1.00 -ATOM 368 C5w TOP 1 1 22.718 7.090 13.400 0.00 1.00 -ATOM 369 C5x TOP 1 1 22.718 7.090 16.750 0.00 1.00 -ATOM 370 C5y TOP 1 1 21.490 9.217 10.050 0.00 1.00 -ATOM 371 C5z TOP 1 1 21.490 9.217 13.400 0.00 1.00 -ATOM 372 C60 TOP 1 1 21.490 9.217 16.750 0.00 1.00 -ATOM 373 C61 TOP 1 1 20.262 11.344 10.050 0.00 1.00 -ATOM 374 C62 TOP 1 1 20.262 11.344 13.400 0.00 1.00 -ATOM 375 C63 TOP 1 1 20.262 11.344 16.750 0.00 1.00 -ATOM 376 C64 TOP 1 1 19.034 13.471 10.050 0.00 1.00 -ATOM 377 C65 TOP 1 1 19.034 13.471 13.400 0.00 1.00 -ATOM 378 C66 TOP 1 1 19.034 13.471 16.750 0.00 1.00 -ATOM 379 C67 TOP 1 1 7.982 15.597 10.050 0.00 1.00 -ATOM 380 C68 TOP 1 1 7.982 15.597 13.400 0.00 1.00 -ATOM 381 C69 TOP 1 1 7.982 15.597 16.750 0.00 1.00 -ATOM 382 C6A TOP 1 1 6.754 17.724 10.050 0.00 1.00 -ATOM 383 C6B TOP 1 1 6.754 17.724 13.400 0.00 1.00 -ATOM 384 C6C TOP 1 1 6.754 17.724 16.750 0.00 1.00 -ATOM 385 C6D TOP 1 1 5.526 19.851 10.050 0.00 1.00 -ATOM 386 C6E TOP 1 1 5.526 19.851 13.400 0.00 1.00 -ATOM 387 C6F TOP 1 1 5.526 19.851 16.750 0.00 1.00 -ATOM 388 C6G TOP 1 1 4.298 21.978 10.050 0.00 1.00 -ATOM 389 C6H TOP 1 1 4.298 21.978 13.400 0.00 1.00 -ATOM 390 C6I TOP 1 1 4.298 21.978 16.750 0.00 1.00 -ATOM 391 C6J TOP 1 1 3.070 24.105 10.050 0.00 1.00 -ATOM 392 C6K TOP 1 1 3.070 24.105 13.400 0.00 1.00 -ATOM 393 C6L TOP 1 1 3.070 24.105 16.750 0.00 1.00 -ATOM 394 C6M TOP 1 1 1.842 26.232 10.050 0.00 1.00 -ATOM 395 C6N TOP 1 1 1.842 26.232 13.400 0.00 1.00 -ATOM 396 C6O TOP 1 1 1.842 26.232 16.750 0.00 1.00 -ATOM 397 C6P TOP 1 1 0.614 28.359 10.050 0.00 1.00 -ATOM 398 C6Q TOP 1 1 0.614 28.359 13.400 0.00 1.00 -ATOM 399 C6R TOP 1 1 0.614 28.359 16.750 0.00 1.00 -ATOM 400 C6S TOP 1 1 28.858 0.709 10.050 0.00 1.00 -ATOM 401 C6T TOP 1 1 28.858 0.709 13.400 0.00 1.00 -ATOM 402 C6U TOP 1 1 28.858 0.709 16.750 0.00 1.00 -ATOM 403 C6V TOP 1 1 27.630 2.836 10.050 0.00 1.00 -ATOM 404 C6W TOP 1 1 27.630 2.836 13.400 0.00 1.00 -ATOM 405 C6X TOP 1 1 27.630 2.836 16.750 0.00 1.00 -ATOM 406 C6Y TOP 1 1 26.402 4.963 10.050 0.00 1.00 -ATOM 407 C6Z TOP 1 1 26.402 4.963 13.400 0.00 1.00 -ATOM 408 C6a TOP 1 1 26.402 4.963 16.750 0.00 1.00 -ATOM 409 C6b TOP 1 1 25.174 7.090 10.050 0.00 1.00 -ATOM 410 C6c TOP 1 1 25.174 7.090 13.400 0.00 1.00 -ATOM 411 C6d TOP 1 1 25.174 7.090 16.750 0.00 1.00 -ATOM 412 C6e TOP 1 1 23.946 9.217 10.050 0.00 1.00 -ATOM 413 C6f TOP 1 1 23.946 9.217 13.400 0.00 1.00 -ATOM 414 C6g TOP 1 1 23.946 9.217 16.750 0.00 1.00 -ATOM 415 C6h TOP 1 1 22.718 11.344 10.050 0.00 1.00 -ATOM 416 C6i TOP 1 1 22.718 11.344 13.400 0.00 1.00 -ATOM 417 C6j TOP 1 1 22.718 11.344 16.750 0.00 1.00 -ATOM 418 C6k TOP 1 1 21.490 13.471 10.050 0.00 1.00 -ATOM 419 C6l TOP 1 1 21.490 13.471 13.400 0.00 1.00 -ATOM 420 C6m TOP 1 1 21.490 13.471 16.750 0.00 1.00 -ATOM 421 C6n TOP 1 1 10.438 15.597 10.050 0.00 1.00 -ATOM 422 C6o TOP 1 1 10.438 15.597 13.400 0.00 1.00 -ATOM 423 C6p TOP 1 1 10.438 15.597 16.750 0.00 1.00 -ATOM 424 C6q TOP 1 1 9.210 17.724 10.050 0.00 1.00 -ATOM 425 C6r TOP 1 1 9.210 17.724 13.400 0.00 1.00 -ATOM 426 C6s TOP 1 1 9.210 17.724 16.750 0.00 1.00 -ATOM 427 C6t TOP 1 1 7.982 19.851 10.050 0.00 1.00 -ATOM 428 C6u TOP 1 1 7.982 19.851 13.400 0.00 1.00 -ATOM 429 C6v TOP 1 1 7.982 19.851 16.750 0.00 1.00 -ATOM 430 C6w TOP 1 1 6.754 21.978 10.050 0.00 1.00 -ATOM 431 C6x TOP 1 1 6.754 21.978 13.400 0.00 1.00 -ATOM 432 C6y TOP 1 1 6.754 21.978 16.750 0.00 1.00 -ATOM 433 C6z TOP 1 1 5.526 24.105 10.050 0.00 1.00 -ATOM 434 C70 TOP 1 1 5.526 24.105 13.400 0.00 1.00 -ATOM 435 C71 TOP 1 1 5.526 24.105 16.750 0.00 1.00 -ATOM 436 C72 TOP 1 1 4.298 26.232 10.050 0.00 1.00 -ATOM 437 C73 TOP 1 1 4.298 26.232 13.400 0.00 1.00 -ATOM 438 C74 TOP 1 1 4.298 26.232 16.750 0.00 1.00 -ATOM 439 C75 TOP 1 1 3.070 28.359 10.050 0.00 1.00 -ATOM 440 C76 TOP 1 1 3.070 28.359 13.400 0.00 1.00 -ATOM 441 C77 TOP 1 1 3.070 28.359 16.750 0.00 1.00 -ATOM 442 C78 TOP 1 1 1.842 0.709 10.050 0.00 1.00 -ATOM 443 C79 TOP 1 1 1.842 0.709 13.400 0.00 1.00 -ATOM 444 C7A TOP 1 1 1.842 0.709 16.750 0.00 1.00 -ATOM 445 C7B TOP 1 1 0.614 2.836 10.050 0.00 1.00 -ATOM 446 C7C TOP 1 1 0.614 2.836 13.400 0.00 1.00 -ATOM 447 C7D TOP 1 1 0.614 2.836 16.750 0.00 1.00 -ATOM 448 C7E TOP 1 1 28.858 4.963 10.050 0.00 1.00 -ATOM 449 C7F TOP 1 1 28.858 4.963 13.400 0.00 1.00 -ATOM 450 C7G TOP 1 1 28.858 4.963 16.750 0.00 1.00 -ATOM 451 C7H TOP 1 1 27.630 7.090 10.050 0.00 1.00 -ATOM 452 C7I TOP 1 1 27.630 7.090 13.400 0.00 1.00 -ATOM 453 C7J TOP 1 1 27.630 7.090 16.750 0.00 1.00 -ATOM 454 C7K TOP 1 1 26.402 9.217 10.050 0.00 1.00 -ATOM 455 C7L TOP 1 1 26.402 9.217 13.400 0.00 1.00 -ATOM 456 C7M TOP 1 1 26.402 9.217 16.750 0.00 1.00 -ATOM 457 C7N TOP 1 1 25.174 11.344 10.050 0.00 1.00 -ATOM 458 C7O TOP 1 1 25.174 11.344 13.400 0.00 1.00 -ATOM 459 C7P TOP 1 1 25.174 11.344 16.750 0.00 1.00 -ATOM 460 C7Q TOP 1 1 23.946 13.471 10.050 0.00 1.00 -ATOM 461 C7R TOP 1 1 23.946 13.471 13.400 0.00 1.00 -ATOM 462 C7S TOP 1 1 23.946 13.471 16.750 0.00 1.00 -ATOM 463 C7T TOP 1 1 12.894 15.597 10.050 0.00 1.00 -ATOM 464 C7U TOP 1 1 12.894 15.597 13.400 0.00 1.00 -ATOM 465 C7V TOP 1 1 12.894 15.597 16.750 0.00 1.00 -ATOM 466 C7W TOP 1 1 11.666 17.724 10.050 0.00 1.00 -ATOM 467 C7X TOP 1 1 11.666 17.724 13.400 0.00 1.00 -ATOM 468 C7Y TOP 1 1 11.666 17.724 16.750 0.00 1.00 -ATOM 469 C7Z TOP 1 1 10.438 19.851 10.050 0.00 1.00 -ATOM 470 C7a TOP 1 1 10.438 19.851 13.400 0.00 1.00 -ATOM 471 C7b TOP 1 1 10.438 19.851 16.750 0.00 1.00 -ATOM 472 C7c TOP 1 1 9.210 21.978 10.050 0.00 1.00 -ATOM 473 C7d TOP 1 1 9.210 21.978 13.400 0.00 1.00 -ATOM 474 C7e TOP 1 1 9.210 21.978 16.750 0.00 1.00 -ATOM 475 C7f TOP 1 1 7.982 24.105 10.050 0.00 1.00 -ATOM 476 C7g TOP 1 1 7.982 24.105 13.400 0.00 1.00 -ATOM 477 C7h TOP 1 1 7.982 24.105 16.750 0.00 1.00 -ATOM 478 C7i TOP 1 1 6.754 26.232 10.050 0.00 1.00 -ATOM 479 C7j TOP 1 1 6.754 26.232 13.400 0.00 1.00 -ATOM 480 C7k TOP 1 1 6.754 26.232 16.750 0.00 1.00 -ATOM 481 C7l TOP 1 1 5.526 28.359 10.050 0.00 1.00 -ATOM 482 C7m TOP 1 1 5.526 28.359 13.400 0.00 1.00 -ATOM 483 C7n TOP 1 1 5.526 28.359 16.750 0.00 1.00 -ATOM 484 C7o TOP 1 1 4.298 0.709 10.050 0.00 1.00 -ATOM 485 C7p TOP 1 1 4.298 0.709 13.400 0.00 1.00 -ATOM 486 C7q TOP 1 1 4.298 0.709 16.750 0.00 1.00 -ATOM 487 C7r TOP 1 1 3.070 2.836 10.050 0.00 1.00 -ATOM 488 C7s TOP 1 1 3.070 2.836 13.400 0.00 1.00 -ATOM 489 C7t TOP 1 1 3.070 2.836 16.750 0.00 1.00 -ATOM 490 C7u TOP 1 1 1.842 4.963 10.050 0.00 1.00 -ATOM 491 C7v TOP 1 1 1.842 4.963 13.400 0.00 1.00 -ATOM 492 C7w TOP 1 1 1.842 4.963 16.750 0.00 1.00 -ATOM 493 C7x TOP 1 1 0.614 7.090 10.050 0.00 1.00 -ATOM 494 C7y TOP 1 1 0.614 7.090 13.400 0.00 1.00 -ATOM 495 C7z TOP 1 1 0.614 7.090 16.750 0.00 1.00 -ATOM 496 C80 TOP 1 1 28.858 9.217 10.050 0.00 1.00 -ATOM 497 C81 TOP 1 1 28.858 9.217 13.400 0.00 1.00 -ATOM 498 C82 TOP 1 1 28.858 9.217 16.750 0.00 1.00 -ATOM 499 C83 TOP 1 1 27.630 11.344 10.050 0.00 1.00 -ATOM 500 C84 TOP 1 1 27.630 11.344 13.400 0.00 1.00 -ATOM 501 C85 TOP 1 1 27.630 11.344 16.750 0.00 1.00 -ATOM 502 C86 TOP 1 1 26.402 13.471 10.050 0.00 1.00 -ATOM 503 C87 TOP 1 1 26.402 13.471 13.400 0.00 1.00 -ATOM 504 C88 TOP 1 1 26.402 13.471 16.750 0.00 1.00 -ATOM 505 C89 TOP 1 1 16.578 16.306 10.050 0.00 1.00 -ATOM 506 C8A TOP 1 1 16.578 16.306 13.400 0.00 1.00 -ATOM 507 C8B TOP 1 1 16.578 16.306 16.750 0.00 1.00 -ATOM 508 C8C TOP 1 1 15.350 18.433 10.050 0.00 1.00 -ATOM 509 C8D TOP 1 1 15.350 18.433 13.400 0.00 1.00 -ATOM 510 C8E TOP 1 1 15.350 18.433 16.750 0.00 1.00 -ATOM 511 C8F TOP 1 1 14.122 20.560 10.050 0.00 1.00 -ATOM 512 C8G TOP 1 1 14.122 20.560 13.400 0.00 1.00 -ATOM 513 C8H TOP 1 1 14.122 20.560 16.750 0.00 1.00 -ATOM 514 C8I TOP 1 1 12.894 22.687 10.050 0.00 1.00 -ATOM 515 C8J TOP 1 1 12.894 22.687 13.400 0.00 1.00 -ATOM 516 C8K TOP 1 1 12.894 22.687 16.750 0.00 1.00 -ATOM 517 C8L TOP 1 1 11.666 24.814 10.050 0.00 1.00 -ATOM 518 C8M TOP 1 1 11.666 24.814 13.400 0.00 1.00 -ATOM 519 C8N TOP 1 1 11.666 24.814 16.750 0.00 1.00 -ATOM 520 C8O TOP 1 1 10.438 26.941 10.050 0.00 1.00 -ATOM 521 C8P TOP 1 1 10.438 26.941 13.400 0.00 1.00 -ATOM 522 C8Q TOP 1 1 10.438 26.941 16.750 0.00 1.00 -ATOM 523 C8R TOP 1 1 9.210 29.068 10.050 0.00 1.00 -ATOM 524 C8S TOP 1 1 9.210 29.068 13.400 0.00 1.00 -ATOM 525 C8T TOP 1 1 9.210 29.068 16.750 0.00 1.00 -ATOM 526 C8U TOP 1 1 7.982 1.418 10.050 0.00 1.00 -ATOM 527 C8V TOP 1 1 7.982 1.418 13.400 0.00 1.00 -ATOM 528 C8W TOP 1 1 7.982 1.418 16.750 0.00 1.00 -ATOM 529 C8X TOP 1 1 6.754 3.545 10.050 0.00 1.00 -ATOM 530 C8Y TOP 1 1 6.754 3.545 13.400 0.00 1.00 -ATOM 531 C8Z TOP 1 1 6.754 3.545 16.750 0.00 1.00 -ATOM 532 C8a TOP 1 1 5.526 5.672 10.050 0.00 1.00 -ATOM 533 C8b TOP 1 1 5.526 5.672 13.400 0.00 1.00 -ATOM 534 C8c TOP 1 1 5.526 5.672 16.750 0.00 1.00 -ATOM 535 C8d TOP 1 1 4.298 7.799 10.050 0.00 1.00 -ATOM 536 C8e TOP 1 1 4.298 7.799 13.400 0.00 1.00 -ATOM 537 C8f TOP 1 1 4.298 7.799 16.750 0.00 1.00 -ATOM 538 C8g TOP 1 1 3.070 9.926 10.050 0.00 1.00 -ATOM 539 C8h TOP 1 1 3.070 9.926 13.400 0.00 1.00 -ATOM 540 C8i TOP 1 1 3.070 9.926 16.750 0.00 1.00 -ATOM 541 C8j TOP 1 1 1.842 12.053 10.050 0.00 1.00 -ATOM 542 C8k TOP 1 1 1.842 12.053 13.400 0.00 1.00 -ATOM 543 C8l TOP 1 1 1.842 12.053 16.750 0.00 1.00 -ATOM 544 C8m TOP 1 1 0.614 14.180 10.050 0.00 1.00 -ATOM 545 C8n TOP 1 1 0.614 14.180 13.400 0.00 1.00 -ATOM 546 C8o TOP 1 1 0.614 14.180 16.750 0.00 1.00 -ATOM 547 C8p TOP 1 1 19.034 16.306 10.050 0.00 1.00 -ATOM 548 C8q TOP 1 1 19.034 16.306 13.400 0.00 1.00 -ATOM 549 C8r TOP 1 1 19.034 16.306 16.750 0.00 1.00 -ATOM 550 C8s TOP 1 1 17.806 18.433 10.050 0.00 1.00 -ATOM 551 C8t TOP 1 1 17.806 18.433 13.400 0.00 1.00 -ATOM 552 C8u TOP 1 1 17.806 18.433 16.750 0.00 1.00 -ATOM 553 C8v TOP 1 1 16.578 20.560 10.050 0.00 1.00 -ATOM 554 C8w TOP 1 1 16.578 20.560 13.400 0.00 1.00 -ATOM 555 C8x TOP 1 1 16.578 20.560 16.750 0.00 1.00 -ATOM 556 C8y TOP 1 1 15.350 22.687 10.050 0.00 1.00 -ATOM 557 C8z TOP 1 1 15.350 22.687 13.400 0.00 1.00 -ATOM 558 C90 TOP 1 1 15.350 22.687 16.750 0.00 1.00 -ATOM 559 C91 TOP 1 1 14.122 24.814 10.050 0.00 1.00 -ATOM 560 C92 TOP 1 1 14.122 24.814 13.400 0.00 1.00 -ATOM 561 C93 TOP 1 1 14.122 24.814 16.750 0.00 1.00 -ATOM 562 C94 TOP 1 1 12.894 26.941 10.050 0.00 1.00 -ATOM 563 C95 TOP 1 1 12.894 26.941 13.400 0.00 1.00 -ATOM 564 C96 TOP 1 1 12.894 26.941 16.750 0.00 1.00 -ATOM 565 C97 TOP 1 1 11.666 29.068 10.050 0.00 1.00 -ATOM 566 C98 TOP 1 1 11.666 29.068 13.400 0.00 1.00 -ATOM 567 C99 TOP 1 1 11.666 29.068 16.750 0.00 1.00 -ATOM 568 C9A TOP 1 1 10.438 1.418 10.050 0.00 1.00 -ATOM 569 C9B TOP 1 1 10.438 1.418 13.400 0.00 1.00 -ATOM 570 C9C TOP 1 1 10.438 1.418 16.750 0.00 1.00 -ATOM 571 C9D TOP 1 1 9.210 3.545 10.050 0.00 1.00 -ATOM 572 C9E TOP 1 1 9.210 3.545 13.400 0.00 1.00 -ATOM 573 C9F TOP 1 1 9.210 3.545 16.750 0.00 1.00 -ATOM 574 C9G TOP 1 1 7.982 5.672 10.050 0.00 1.00 -ATOM 575 C9H TOP 1 1 7.982 5.672 13.400 0.00 1.00 -ATOM 576 C9I TOP 1 1 7.982 5.672 16.750 0.00 1.00 -ATOM 577 C9J TOP 1 1 6.754 7.799 10.050 0.00 1.00 -ATOM 578 C9K TOP 1 1 6.754 7.799 13.400 0.00 1.00 -ATOM 579 C9L TOP 1 1 6.754 7.799 16.750 0.00 1.00 -ATOM 580 C9M TOP 1 1 5.526 9.926 10.050 0.00 1.00 -ATOM 581 C9N TOP 1 1 5.526 9.926 13.400 0.00 1.00 -ATOM 582 C9O TOP 1 1 5.526 9.926 16.750 0.00 1.00 -ATOM 583 C9P TOP 1 1 4.298 12.053 10.050 0.00 1.00 -ATOM 584 C9Q TOP 1 1 4.298 12.053 13.400 0.00 1.00 -ATOM 585 C9R TOP 1 1 4.298 12.053 16.750 0.00 1.00 -ATOM 586 C9S TOP 1 1 3.070 14.180 10.050 0.00 1.00 -ATOM 587 C9T TOP 1 1 3.070 14.180 13.400 0.00 1.00 -ATOM 588 C9U TOP 1 1 3.070 14.180 16.750 0.00 1.00 -ATOM 589 C9V TOP 1 1 21.490 16.306 10.050 0.00 1.00 -ATOM 590 C9W TOP 1 1 21.490 16.306 13.400 0.00 1.00 -ATOM 591 C9X TOP 1 1 21.490 16.306 16.750 0.00 1.00 -ATOM 592 C9Y TOP 1 1 20.262 18.433 10.050 0.00 1.00 -ATOM 593 C9Z TOP 1 1 20.262 18.433 13.400 0.00 1.00 -ATOM 594 C9a TOP 1 1 20.262 18.433 16.750 0.00 1.00 -ATOM 595 C9b TOP 1 1 19.034 20.560 10.050 0.00 1.00 -ATOM 596 C9c TOP 1 1 19.034 20.560 13.400 0.00 1.00 -ATOM 597 C9d TOP 1 1 19.034 20.560 16.750 0.00 1.00 -ATOM 598 C9e TOP 1 1 17.806 22.687 10.050 0.00 1.00 -ATOM 599 C9f TOP 1 1 17.806 22.687 13.400 0.00 1.00 -ATOM 600 C9g TOP 1 1 17.806 22.687 16.750 0.00 1.00 -ATOM 601 C9h TOP 1 1 16.578 24.814 10.050 0.00 1.00 -ATOM 602 C9i TOP 1 1 16.578 24.814 13.400 0.00 1.00 -ATOM 603 C9j TOP 1 1 16.578 24.814 16.750 0.00 1.00 -ATOM 604 C9k TOP 1 1 15.350 26.941 10.050 0.00 1.00 -ATOM 605 C9l TOP 1 1 15.350 26.941 13.400 0.00 1.00 -ATOM 606 C9m TOP 1 1 15.350 26.941 16.750 0.00 1.00 -ATOM 607 C9n TOP 1 1 14.122 29.068 10.050 0.00 1.00 -ATOM 608 C9o TOP 1 1 14.122 29.068 13.400 0.00 1.00 -ATOM 609 C9p TOP 1 1 14.122 29.068 16.750 0.00 1.00 -ATOM 610 C9q TOP 1 1 12.894 1.418 10.050 0.00 1.00 -ATOM 611 C9r TOP 1 1 12.894 1.418 13.400 0.00 1.00 -ATOM 612 C9s TOP 1 1 12.894 1.418 16.750 0.00 1.00 -ATOM 613 C9t TOP 1 1 11.666 3.545 10.050 0.00 1.00 -ATOM 614 C9u TOP 1 1 11.666 3.545 13.400 0.00 1.00 -ATOM 615 C9v TOP 1 1 11.666 3.545 16.750 0.00 1.00 -ATOM 616 C9w TOP 1 1 10.438 5.672 10.050 0.00 1.00 -ATOM 617 C9x TOP 1 1 10.438 5.672 13.400 0.00 1.00 -ATOM 618 C9y TOP 1 1 10.438 5.672 16.750 0.00 1.00 -ATOM 619 C9z TOP 1 1 9.210 7.799 10.050 0.00 1.00 -ATOM 620 CA0 TOP 1 1 9.210 7.799 13.400 0.00 1.00 -ATOM 621 CA1 TOP 1 1 9.210 7.799 16.750 0.00 1.00 -ATOM 622 CA2 TOP 1 1 7.982 9.926 10.050 0.00 1.00 -ATOM 623 CA3 TOP 1 1 7.982 9.926 13.400 0.00 1.00 -ATOM 624 CA4 TOP 1 1 7.982 9.926 16.750 0.00 1.00 -ATOM 625 CA5 TOP 1 1 6.754 12.053 10.050 0.00 1.00 -ATOM 626 CA6 TOP 1 1 6.754 12.053 13.400 0.00 1.00 -ATOM 627 CA7 TOP 1 1 6.754 12.053 16.750 0.00 1.00 -ATOM 628 CA8 TOP 1 1 5.526 14.180 10.050 0.00 1.00 -ATOM 629 CA9 TOP 1 1 5.526 14.180 13.400 0.00 1.00 -ATOM 630 CAA TOP 1 1 5.526 14.180 16.750 0.00 1.00 -ATOM 631 CAB TOP 1 1 23.946 16.306 10.050 0.00 1.00 -ATOM 632 CAC TOP 1 1 23.946 16.306 13.400 0.00 1.00 -ATOM 633 CAD TOP 1 1 23.946 16.306 16.750 0.00 1.00 -ATOM 634 CAE TOP 1 1 22.718 18.433 10.050 0.00 1.00 -ATOM 635 CAF TOP 1 1 22.718 18.433 13.400 0.00 1.00 -ATOM 636 CAG TOP 1 1 22.718 18.433 16.750 0.00 1.00 -ATOM 637 CAH TOP 1 1 21.490 20.560 10.050 0.00 1.00 -ATOM 638 CAI TOP 1 1 21.490 20.560 13.400 0.00 1.00 -ATOM 639 CAJ TOP 1 1 21.490 20.560 16.750 0.00 1.00 -ATOM 640 CAK TOP 1 1 20.262 22.687 10.050 0.00 1.00 -ATOM 641 CAL TOP 1 1 20.262 22.687 13.400 0.00 1.00 -ATOM 642 CAM TOP 1 1 20.262 22.687 16.750 0.00 1.00 -ATOM 643 CAN TOP 1 1 19.034 24.814 10.050 0.00 1.00 -ATOM 644 CAO TOP 1 1 19.034 24.814 13.400 0.00 1.00 -ATOM 645 CAP TOP 1 1 19.034 24.814 16.750 0.00 1.00 -ATOM 646 CAQ TOP 1 1 17.806 26.941 10.050 0.00 1.00 -ATOM 647 CAR TOP 1 1 17.806 26.941 13.400 0.00 1.00 -ATOM 648 CAS TOP 1 1 17.806 26.941 16.750 0.00 1.00 -ATOM 649 CAT TOP 1 1 16.578 29.068 10.050 0.00 1.00 -ATOM 650 CAU TOP 1 1 16.578 29.068 13.400 0.00 1.00 -ATOM 651 CAV TOP 1 1 16.578 29.068 16.750 0.00 1.00 -ATOM 652 CAW TOP 1 1 15.350 1.418 10.050 0.00 1.00 -ATOM 653 CAX TOP 1 1 15.350 1.418 13.400 0.00 1.00 -ATOM 654 CAY TOP 1 1 15.350 1.418 16.750 0.00 1.00 -ATOM 655 CAZ TOP 1 1 14.122 3.545 10.050 0.00 1.00 -ATOM 656 CAa TOP 1 1 14.122 3.545 13.400 0.00 1.00 -ATOM 657 CAb TOP 1 1 14.122 3.545 16.750 0.00 1.00 -ATOM 658 CAc TOP 1 1 12.894 5.672 10.050 0.00 1.00 -ATOM 659 CAd TOP 1 1 12.894 5.672 13.400 0.00 1.00 -ATOM 660 CAe TOP 1 1 12.894 5.672 16.750 0.00 1.00 -ATOM 661 CAf TOP 1 1 11.666 7.799 10.050 0.00 1.00 -ATOM 662 CAg TOP 1 1 11.666 7.799 13.400 0.00 1.00 -ATOM 663 CAh TOP 1 1 11.666 7.799 16.750 0.00 1.00 -ATOM 664 CAi TOP 1 1 10.438 9.926 10.050 0.00 1.00 -ATOM 665 CAj TOP 1 1 10.438 9.926 13.400 0.00 1.00 -ATOM 666 CAk TOP 1 1 10.438 9.926 16.750 0.00 1.00 -ATOM 667 CAl TOP 1 1 9.210 12.053 10.050 0.00 1.00 -ATOM 668 CAm TOP 1 1 9.210 12.053 13.400 0.00 1.00 -ATOM 669 CAn TOP 1 1 9.210 12.053 16.750 0.00 1.00 -ATOM 670 CAo TOP 1 1 7.982 14.180 10.050 0.00 1.00 -ATOM 671 CAp TOP 1 1 7.982 14.180 13.400 0.00 1.00 -ATOM 672 CAq TOP 1 1 7.982 14.180 16.750 0.00 1.00 -ATOM 673 CAr TOP 1 1 26.402 16.306 10.050 0.00 1.00 -ATOM 674 CAs TOP 1 1 26.402 16.306 13.400 0.00 1.00 -ATOM 675 CAt TOP 1 1 26.402 16.306 16.750 0.00 1.00 -ATOM 676 CAu TOP 1 1 25.174 18.433 10.050 0.00 1.00 -ATOM 677 CAv TOP 1 1 25.174 18.433 13.400 0.00 1.00 -ATOM 678 CAw TOP 1 1 25.174 18.433 16.750 0.00 1.00 -ATOM 679 CAx TOP 1 1 23.946 20.560 10.050 0.00 1.00 -ATOM 680 CAy TOP 1 1 23.946 20.560 13.400 0.00 1.00 -ATOM 681 CAz TOP 1 1 23.946 20.560 16.750 0.00 1.00 -ATOM 682 CB0 TOP 1 1 22.718 22.687 10.050 0.00 1.00 -ATOM 683 CB1 TOP 1 1 22.718 22.687 13.400 0.00 1.00 -ATOM 684 CB2 TOP 1 1 22.718 22.687 16.750 0.00 1.00 -ATOM 685 CB3 TOP 1 1 21.490 24.814 10.050 0.00 1.00 -ATOM 686 CB4 TOP 1 1 21.490 24.814 13.400 0.00 1.00 -ATOM 687 CB5 TOP 1 1 21.490 24.814 16.750 0.00 1.00 -ATOM 688 CB6 TOP 1 1 20.262 26.941 10.050 0.00 1.00 -ATOM 689 CB7 TOP 1 1 20.262 26.941 13.400 0.00 1.00 -ATOM 690 CB8 TOP 1 1 20.262 26.941 16.750 0.00 1.00 -ATOM 691 CB9 TOP 1 1 19.034 29.068 10.050 0.00 1.00 -ATOM 692 CBA TOP 1 1 19.034 29.068 13.400 0.00 1.00 -ATOM 693 CBB TOP 1 1 19.034 29.068 16.750 0.00 1.00 -ATOM 694 CBC TOP 1 1 17.806 1.418 10.050 0.00 1.00 -ATOM 695 CBD TOP 1 1 17.806 1.418 13.400 0.00 1.00 -ATOM 696 CBE TOP 1 1 17.806 1.418 16.750 0.00 1.00 -ATOM 697 CBF TOP 1 1 16.578 3.545 10.050 0.00 1.00 -ATOM 698 CBG TOP 1 1 16.578 3.545 13.400 0.00 1.00 -ATOM 699 CBH TOP 1 1 16.578 3.545 16.750 0.00 1.00 -ATOM 700 CBI TOP 1 1 15.350 5.672 10.050 0.00 1.00 -ATOM 701 CBJ TOP 1 1 15.350 5.672 13.400 0.00 1.00 -ATOM 702 CBK TOP 1 1 15.350 5.672 16.750 0.00 1.00 -ATOM 703 CBL TOP 1 1 14.122 7.799 10.050 0.00 1.00 -ATOM 704 CBM TOP 1 1 14.122 7.799 13.400 0.00 1.00 -ATOM 705 CBN TOP 1 1 14.122 7.799 16.750 0.00 1.00 -ATOM 706 CBO TOP 1 1 12.894 9.926 10.050 0.00 1.00 -ATOM 707 CBP TOP 1 1 12.894 9.926 13.400 0.00 1.00 -ATOM 708 CBQ TOP 1 1 12.894 9.926 16.750 0.00 1.00 -ATOM 709 CBR TOP 1 1 11.666 12.053 10.050 0.00 1.00 -ATOM 710 CBS TOP 1 1 11.666 12.053 13.400 0.00 1.00 -ATOM 711 CBT TOP 1 1 11.666 12.053 16.750 0.00 1.00 -ATOM 712 CBU TOP 1 1 10.438 14.180 10.050 0.00 1.00 -ATOM 713 CBV TOP 1 1 10.438 14.180 13.400 0.00 1.00 -ATOM 714 CBW TOP 1 1 10.438 14.180 16.750 0.00 1.00 -ATOM 715 CBX TOP 1 1 28.858 16.306 10.050 0.00 1.00 -ATOM 716 CBY TOP 1 1 28.858 16.306 13.400 0.00 1.00 -ATOM 717 CBZ TOP 1 1 28.858 16.306 16.750 0.00 1.00 -ATOM 718 CBa TOP 1 1 27.630 18.433 10.050 0.00 1.00 -ATOM 719 CBb TOP 1 1 27.630 18.433 13.400 0.00 1.00 -ATOM 720 CBc TOP 1 1 27.630 18.433 16.750 0.00 1.00 -ATOM 721 CBd TOP 1 1 26.402 20.560 10.050 0.00 1.00 -ATOM 722 CBe TOP 1 1 26.402 20.560 13.400 0.00 1.00 -ATOM 723 CBf TOP 1 1 26.402 20.560 16.750 0.00 1.00 -ATOM 724 CBg TOP 1 1 25.174 22.687 10.050 0.00 1.00 -ATOM 725 CBh TOP 1 1 25.174 22.687 13.400 0.00 1.00 -ATOM 726 CBi TOP 1 1 25.174 22.687 16.750 0.00 1.00 -ATOM 727 CBj TOP 1 1 23.946 24.814 10.050 0.00 1.00 -ATOM 728 CBk TOP 1 1 23.946 24.814 13.400 0.00 1.00 -ATOM 729 CBl TOP 1 1 23.946 24.814 16.750 0.00 1.00 -ATOM 730 CBm TOP 1 1 22.718 26.941 10.050 0.00 1.00 -ATOM 731 CBn TOP 1 1 22.718 26.941 13.400 0.00 1.00 -ATOM 732 CBo TOP 1 1 22.718 26.941 16.750 0.00 1.00 -ATOM 733 CBp TOP 1 1 21.490 29.068 10.050 0.00 1.00 -ATOM 734 CBq TOP 1 1 21.490 29.068 13.400 0.00 1.00 -ATOM 735 CBr TOP 1 1 21.490 29.068 16.750 0.00 1.00 -ATOM 736 CBs TOP 1 1 20.262 1.418 10.050 0.00 1.00 -ATOM 737 CBt TOP 1 1 20.262 1.418 13.400 0.00 1.00 -ATOM 738 CBu TOP 1 1 20.262 1.418 16.750 0.00 1.00 -ATOM 739 CBv TOP 1 1 19.034 3.545 10.050 0.00 1.00 -ATOM 740 CBw TOP 1 1 19.034 3.545 13.400 0.00 1.00 -ATOM 741 CBx TOP 1 1 19.034 3.545 16.750 0.00 1.00 -ATOM 742 CBy TOP 1 1 17.806 5.672 10.050 0.00 1.00 -ATOM 743 CBz TOP 1 1 17.806 5.672 13.400 0.00 1.00 -ATOM 744 CC0 TOP 1 1 17.806 5.672 16.750 0.00 1.00 -ATOM 745 CC1 TOP 1 1 16.578 7.799 10.050 0.00 1.00 -ATOM 746 CC2 TOP 1 1 16.578 7.799 13.400 0.00 1.00 -ATOM 747 CC3 TOP 1 1 16.578 7.799 16.750 0.00 1.00 -ATOM 748 CC4 TOP 1 1 15.350 9.926 10.050 0.00 1.00 -ATOM 749 CC5 TOP 1 1 15.350 9.926 13.400 0.00 1.00 -ATOM 750 CC6 TOP 1 1 15.350 9.926 16.750 0.00 1.00 -ATOM 751 CC7 TOP 1 1 14.122 12.053 10.050 0.00 1.00 -ATOM 752 CC8 TOP 1 1 14.122 12.053 13.400 0.00 1.00 -ATOM 753 CC9 TOP 1 1 14.122 12.053 16.750 0.00 1.00 -ATOM 754 CCA TOP 1 1 12.894 14.180 10.050 0.00 1.00 -ATOM 755 CCB TOP 1 1 12.894 14.180 13.400 0.00 1.00 -ATOM 756 CCC TOP 1 1 12.894 14.180 16.750 0.00 1.00 -ATOM 757 CCD TOP 1 1 1.842 16.306 10.050 0.00 1.00 -ATOM 758 CCE TOP 1 1 1.842 16.306 13.400 0.00 1.00 -ATOM 759 CCF TOP 1 1 1.842 16.306 16.750 0.00 1.00 -ATOM 760 CCG TOP 1 1 0.614 18.433 10.050 0.00 1.00 -ATOM 761 CCH TOP 1 1 0.614 18.433 13.400 0.00 1.00 -ATOM 762 CCI TOP 1 1 0.614 18.433 16.750 0.00 1.00 -ATOM 763 CCJ TOP 1 1 28.858 20.560 10.050 0.00 1.00 -ATOM 764 CCK TOP 1 1 28.858 20.560 13.400 0.00 1.00 -ATOM 765 CCL TOP 1 1 28.858 20.560 16.750 0.00 1.00 -ATOM 766 CCM TOP 1 1 27.630 22.687 10.050 0.00 1.00 -ATOM 767 CCN TOP 1 1 27.630 22.687 13.400 0.00 1.00 -ATOM 768 CCO TOP 1 1 27.630 22.687 16.750 0.00 1.00 -ATOM 769 CCP TOP 1 1 26.402 24.814 10.050 0.00 1.00 -ATOM 770 CCQ TOP 1 1 26.402 24.814 13.400 0.00 1.00 -ATOM 771 CCR TOP 1 1 26.402 24.814 16.750 0.00 1.00 -ATOM 772 CCS TOP 1 1 25.174 26.941 10.050 0.00 1.00 -ATOM 773 CCT TOP 1 1 25.174 26.941 13.400 0.00 1.00 -ATOM 774 CCU TOP 1 1 25.174 26.941 16.750 0.00 1.00 -ATOM 775 CCV TOP 1 1 23.946 29.068 10.050 0.00 1.00 -ATOM 776 CCW TOP 1 1 23.946 29.068 13.400 0.00 1.00 -ATOM 777 CCX TOP 1 1 23.946 29.068 16.750 0.00 1.00 -ATOM 778 CCY TOP 1 1 22.718 1.418 10.050 0.00 1.00 -ATOM 779 CCZ TOP 1 1 22.718 1.418 13.400 0.00 1.00 -ATOM 780 CCa TOP 1 1 22.718 1.418 16.750 0.00 1.00 -ATOM 781 CCb TOP 1 1 21.490 3.545 10.050 0.00 1.00 -ATOM 782 CCc TOP 1 1 21.490 3.545 13.400 0.00 1.00 -ATOM 783 CCd TOP 1 1 21.490 3.545 16.750 0.00 1.00 -ATOM 784 CCe TOP 1 1 20.262 5.672 10.050 0.00 1.00 -ATOM 785 CCf TOP 1 1 20.262 5.672 13.400 0.00 1.00 -ATOM 786 CCg TOP 1 1 20.262 5.672 16.750 0.00 1.00 -ATOM 787 CCh TOP 1 1 19.034 7.799 10.050 0.00 1.00 -ATOM 788 CCi TOP 1 1 19.034 7.799 13.400 0.00 1.00 -ATOM 789 CCj TOP 1 1 19.034 7.799 16.750 0.00 1.00 -ATOM 790 CCk TOP 1 1 17.806 9.926 10.050 0.00 1.00 -ATOM 791 CCl TOP 1 1 17.806 9.926 13.400 0.00 1.00 -ATOM 792 CCm TOP 1 1 17.806 9.926 16.750 0.00 1.00 -ATOM 793 CCn TOP 1 1 16.578 12.053 10.050 0.00 1.00 -ATOM 794 CCo TOP 1 1 16.578 12.053 13.400 0.00 1.00 -ATOM 795 CCp TOP 1 1 16.578 12.053 16.750 0.00 1.00 -ATOM 796 CCq TOP 1 1 15.350 14.180 10.050 0.00 1.00 -ATOM 797 CCr TOP 1 1 15.350 14.180 13.400 0.00 1.00 -ATOM 798 CCs TOP 1 1 15.350 14.180 16.750 0.00 1.00 -ATOM 799 CCt TOP 1 1 4.298 16.306 10.050 0.00 1.00 -ATOM 800 CCu TOP 1 1 4.298 16.306 13.400 0.00 1.00 -ATOM 801 CCv TOP 1 1 4.298 16.306 16.750 0.00 1.00 -ATOM 802 CCw TOP 1 1 3.070 18.433 10.050 0.00 1.00 -ATOM 803 CCx TOP 1 1 3.070 18.433 13.400 0.00 1.00 -ATOM 804 CCy TOP 1 1 3.070 18.433 16.750 0.00 1.00 -ATOM 805 CCz TOP 1 1 1.842 20.560 10.050 0.00 1.00 -ATOM 806 CD0 TOP 1 1 1.842 20.560 13.400 0.00 1.00 -ATOM 807 CD1 TOP 1 1 1.842 20.560 16.750 0.00 1.00 -ATOM 808 CD2 TOP 1 1 0.614 22.687 10.050 0.00 1.00 -ATOM 809 CD3 TOP 1 1 0.614 22.687 13.400 0.00 1.00 -ATOM 810 CD4 TOP 1 1 0.614 22.687 16.750 0.00 1.00 -ATOM 811 CD5 TOP 1 1 28.858 24.814 10.050 0.00 1.00 -ATOM 812 CD6 TOP 1 1 28.858 24.814 13.400 0.00 1.00 -ATOM 813 CD7 TOP 1 1 28.858 24.814 16.750 0.00 1.00 -ATOM 814 CD8 TOP 1 1 27.630 26.941 10.050 0.00 1.00 -ATOM 815 CD9 TOP 1 1 27.630 26.941 13.400 0.00 1.00 -ATOM 816 CDA TOP 1 1 27.630 26.941 16.750 0.00 1.00 -ATOM 817 CDB TOP 1 1 26.402 29.068 10.050 0.00 1.00 -ATOM 818 CDC TOP 1 1 26.402 29.068 13.400 0.00 1.00 -ATOM 819 CDD TOP 1 1 26.402 29.068 16.750 0.00 1.00 -ATOM 820 CDE TOP 1 1 25.174 1.418 10.050 0.00 1.00 -ATOM 821 CDF TOP 1 1 25.174 1.418 13.400 0.00 1.00 -ATOM 822 CDG TOP 1 1 25.174 1.418 16.750 0.00 1.00 -ATOM 823 CDH TOP 1 1 23.946 3.545 10.050 0.00 1.00 -ATOM 824 CDI TOP 1 1 23.946 3.545 13.400 0.00 1.00 -ATOM 825 CDJ TOP 1 1 23.946 3.545 16.750 0.00 1.00 -ATOM 826 CDK TOP 1 1 22.718 5.672 10.050 0.00 1.00 -ATOM 827 CDL TOP 1 1 22.718 5.672 13.400 0.00 1.00 -ATOM 828 CDM TOP 1 1 22.718 5.672 16.750 0.00 1.00 -ATOM 829 CDN TOP 1 1 21.490 7.799 10.050 0.00 1.00 -ATOM 830 CDO TOP 1 1 21.490 7.799 13.400 0.00 1.00 -ATOM 831 CDP TOP 1 1 21.490 7.799 16.750 0.00 1.00 -ATOM 832 CDQ TOP 1 1 20.262 9.926 10.050 0.00 1.00 -ATOM 833 CDR TOP 1 1 20.262 9.926 13.400 0.00 1.00 -ATOM 834 CDS TOP 1 1 20.262 9.926 16.750 0.00 1.00 -ATOM 835 CDT TOP 1 1 19.034 12.053 10.050 0.00 1.00 -ATOM 836 CDU TOP 1 1 19.034 12.053 13.400 0.00 1.00 -ATOM 837 CDV TOP 1 1 19.034 12.053 16.750 0.00 1.00 -ATOM 838 CDW TOP 1 1 17.806 14.180 10.050 0.00 1.00 -ATOM 839 CDX TOP 1 1 17.806 14.180 13.400 0.00 1.00 -ATOM 840 CDY TOP 1 1 17.806 14.180 16.750 0.00 1.00 -ATOM 841 CDZ TOP 1 1 6.754 16.306 10.050 0.00 1.00 -ATOM 842 CDa TOP 1 1 6.754 16.306 13.400 0.00 1.00 -ATOM 843 CDb TOP 1 1 6.754 16.306 16.750 0.00 1.00 -ATOM 844 CDc TOP 1 1 5.526 18.433 10.050 0.00 1.00 -ATOM 845 CDd TOP 1 1 5.526 18.433 13.400 0.00 1.00 -ATOM 846 CDe TOP 1 1 5.526 18.433 16.750 0.00 1.00 -ATOM 847 CDf TOP 1 1 4.298 20.560 10.050 0.00 1.00 -ATOM 848 CDg TOP 1 1 4.298 20.560 13.400 0.00 1.00 -ATOM 849 CDh TOP 1 1 4.298 20.560 16.750 0.00 1.00 -ATOM 850 CDi TOP 1 1 3.070 22.687 10.050 0.00 1.00 -ATOM 851 CDj TOP 1 1 3.070 22.687 13.400 0.00 1.00 -ATOM 852 CDk TOP 1 1 3.070 22.687 16.750 0.00 1.00 -ATOM 853 CDl TOP 1 1 1.842 24.814 10.050 0.00 1.00 -ATOM 854 CDm TOP 1 1 1.842 24.814 13.400 0.00 1.00 -ATOM 855 CDn TOP 1 1 1.842 24.814 16.750 0.00 1.00 -ATOM 856 CDo TOP 1 1 0.614 26.941 10.050 0.00 1.00 -ATOM 857 CDp TOP 1 1 0.614 26.941 13.400 0.00 1.00 -ATOM 858 CDq TOP 1 1 0.614 26.941 16.750 0.00 1.00 -ATOM 859 CDr TOP 1 1 28.858 29.068 10.050 0.00 1.00 -ATOM 860 CDs TOP 1 1 28.858 29.068 13.400 0.00 1.00 -ATOM 861 CDt TOP 1 1 28.858 29.068 16.750 0.00 1.00 -ATOM 862 CDu TOP 1 1 27.630 1.418 10.050 0.00 1.00 -ATOM 863 CDv TOP 1 1 27.630 1.418 13.400 0.00 1.00 -ATOM 864 CDw TOP 1 1 27.630 1.418 16.750 0.00 1.00 -ATOM 865 CDx TOP 1 1 26.402 3.545 10.050 0.00 1.00 -ATOM 866 CDy TOP 1 1 26.402 3.545 13.400 0.00 1.00 -ATOM 867 CDz TOP 1 1 26.402 3.545 16.750 0.00 1.00 -ATOM 868 CE0 TOP 1 1 25.174 5.672 10.050 0.00 1.00 -ATOM 869 CE1 TOP 1 1 25.174 5.672 13.400 0.00 1.00 -ATOM 870 CE2 TOP 1 1 25.174 5.672 16.750 0.00 1.00 -ATOM 871 CE3 TOP 1 1 23.946 7.799 10.050 0.00 1.00 -ATOM 872 CE4 TOP 1 1 23.946 7.799 13.400 0.00 1.00 -ATOM 873 CE5 TOP 1 1 23.946 7.799 16.750 0.00 1.00 -ATOM 874 CE6 TOP 1 1 22.718 9.926 10.050 0.00 1.00 -ATOM 875 CE7 TOP 1 1 22.718 9.926 13.400 0.00 1.00 -ATOM 876 CE8 TOP 1 1 22.718 9.926 16.750 0.00 1.00 -ATOM 877 CE9 TOP 1 1 21.490 12.053 10.050 0.00 1.00 -ATOM 878 CEA TOP 1 1 21.490 12.053 13.400 0.00 1.00 -ATOM 879 CEB TOP 1 1 21.490 12.053 16.750 0.00 1.00 -ATOM 880 CEC TOP 1 1 20.262 14.180 10.050 0.00 1.00 -ATOM 881 CED TOP 1 1 20.262 14.180 13.400 0.00 1.00 -ATOM 882 CEE TOP 1 1 20.262 14.180 16.750 0.00 1.00 -ATOM 883 CEF TOP 1 1 9.210 16.306 10.050 0.00 1.00 -ATOM 884 CEG TOP 1 1 9.210 16.306 13.400 0.00 1.00 -ATOM 885 CEH TOP 1 1 9.210 16.306 16.750 0.00 1.00 -ATOM 886 CEI TOP 1 1 7.982 18.433 10.050 0.00 1.00 -ATOM 887 CEJ TOP 1 1 7.982 18.433 13.400 0.00 1.00 -ATOM 888 CEK TOP 1 1 7.982 18.433 16.750 0.00 1.00 -ATOM 889 CEL TOP 1 1 6.754 20.560 10.050 0.00 1.00 -ATOM 890 CEM TOP 1 1 6.754 20.560 13.400 0.00 1.00 -ATOM 891 CEN TOP 1 1 6.754 20.560 16.750 0.00 1.00 -ATOM 892 CEO TOP 1 1 5.526 22.687 10.050 0.00 1.00 -ATOM 893 CEP TOP 1 1 5.526 22.687 13.400 0.00 1.00 -ATOM 894 CEQ TOP 1 1 5.526 22.687 16.750 0.00 1.00 -ATOM 895 CER TOP 1 1 4.298 24.814 10.050 0.00 1.00 -ATOM 896 CES TOP 1 1 4.298 24.814 13.400 0.00 1.00 -ATOM 897 CET TOP 1 1 4.298 24.814 16.750 0.00 1.00 -ATOM 898 CEU TOP 1 1 3.070 26.941 10.050 0.00 1.00 -ATOM 899 CEV TOP 1 1 3.070 26.941 13.400 0.00 1.00 -ATOM 900 CEW TOP 1 1 3.070 26.941 16.750 0.00 1.00 -ATOM 901 CEX TOP 1 1 1.842 29.068 10.050 0.00 1.00 -ATOM 902 CEY TOP 1 1 1.842 29.068 13.400 0.00 1.00 -ATOM 903 CEZ TOP 1 1 1.842 29.068 16.750 0.00 1.00 -ATOM 904 CEa TOP 1 1 0.614 1.418 10.050 0.00 1.00 -ATOM 905 CEb TOP 1 1 0.614 1.418 13.400 0.00 1.00 -ATOM 906 CEc TOP 1 1 0.614 1.418 16.750 0.00 1.00 -ATOM 907 CEd TOP 1 1 28.858 3.545 10.050 0.00 1.00 -ATOM 908 CEe TOP 1 1 28.858 3.545 13.400 0.00 1.00 -ATOM 909 CEf TOP 1 1 28.858 3.545 16.750 0.00 1.00 -ATOM 910 CEg TOP 1 1 27.630 5.672 10.050 0.00 1.00 -ATOM 911 CEh TOP 1 1 27.630 5.672 13.400 0.00 1.00 -ATOM 912 CEi TOP 1 1 27.630 5.672 16.750 0.00 1.00 -ATOM 913 CEj TOP 1 1 26.402 7.799 10.050 0.00 1.00 -ATOM 914 CEk TOP 1 1 26.402 7.799 13.400 0.00 1.00 -ATOM 915 CEl TOP 1 1 26.402 7.799 16.750 0.00 1.00 -ATOM 916 CEm TOP 1 1 25.174 9.926 10.050 0.00 1.00 -ATOM 917 CEn TOP 1 1 25.174 9.926 13.400 0.00 1.00 -ATOM 918 CEo TOP 1 1 25.174 9.926 16.750 0.00 1.00 -ATOM 919 CEp TOP 1 1 23.946 12.053 10.050 0.00 1.00 -ATOM 920 CEq TOP 1 1 23.946 12.053 13.400 0.00 1.00 -ATOM 921 CEr TOP 1 1 23.946 12.053 16.750 0.00 1.00 -ATOM 922 CEs TOP 1 1 22.718 14.180 10.050 0.00 1.00 -ATOM 923 CEt TOP 1 1 22.718 14.180 13.400 0.00 1.00 -ATOM 924 CEu TOP 1 1 22.718 14.180 16.750 0.00 1.00 -ATOM 925 CEv TOP 1 1 11.666 16.306 10.050 0.00 1.00 -ATOM 926 CEw TOP 1 1 11.666 16.306 13.400 0.00 1.00 -ATOM 927 CEx TOP 1 1 11.666 16.306 16.750 0.00 1.00 -ATOM 928 CEy TOP 1 1 10.438 18.433 10.050 0.00 1.00 -ATOM 929 CEz TOP 1 1 10.438 18.433 13.400 0.00 1.00 -ATOM 930 CF0 TOP 1 1 10.438 18.433 16.750 0.00 1.00 -ATOM 931 CF1 TOP 1 1 9.210 20.560 10.050 0.00 1.00 -ATOM 932 CF2 TOP 1 1 9.210 20.560 13.400 0.00 1.00 -ATOM 933 CF3 TOP 1 1 9.210 20.560 16.750 0.00 1.00 -ATOM 934 CF4 TOP 1 1 7.982 22.687 10.050 0.00 1.00 -ATOM 935 CF5 TOP 1 1 7.982 22.687 13.400 0.00 1.00 -ATOM 936 CF6 TOP 1 1 7.982 22.687 16.750 0.00 1.00 -ATOM 937 CF7 TOP 1 1 6.754 24.814 10.050 0.00 1.00 -ATOM 938 CF8 TOP 1 1 6.754 24.814 13.400 0.00 1.00 -ATOM 939 CF9 TOP 1 1 6.754 24.814 16.750 0.00 1.00 -ATOM 940 CFA TOP 1 1 5.526 26.941 10.050 0.00 1.00 -ATOM 941 CFB TOP 1 1 5.526 26.941 13.400 0.00 1.00 -ATOM 942 CFC TOP 1 1 5.526 26.941 16.750 0.00 1.00 -ATOM 943 CFD TOP 1 1 4.298 29.068 10.050 0.00 1.00 -ATOM 944 CFE TOP 1 1 4.298 29.068 13.400 0.00 1.00 -ATOM 945 CFF TOP 1 1 4.298 29.068 16.750 0.00 1.00 -ATOM 946 CFG TOP 1 1 3.070 1.418 10.050 0.00 1.00 -ATOM 947 CFH TOP 1 1 3.070 1.418 13.400 0.00 1.00 -ATOM 948 CFI TOP 1 1 3.070 1.418 16.750 0.00 1.00 -ATOM 949 CFJ TOP 1 1 1.842 3.545 10.050 0.00 1.00 -ATOM 950 CFK TOP 1 1 1.842 3.545 13.400 0.00 1.00 -ATOM 951 CFL TOP 1 1 1.842 3.545 16.750 0.00 1.00 -ATOM 952 CFM TOP 1 1 0.614 5.672 10.050 0.00 1.00 -ATOM 953 CFN TOP 1 1 0.614 5.672 13.400 0.00 1.00 -ATOM 954 CFO TOP 1 1 0.614 5.672 16.750 0.00 1.00 -ATOM 955 CFP TOP 1 1 28.858 7.799 10.050 0.00 1.00 -ATOM 956 CFQ TOP 1 1 28.858 7.799 13.400 0.00 1.00 -ATOM 957 CFR TOP 1 1 28.858 7.799 16.750 0.00 1.00 -ATOM 958 CFS TOP 1 1 27.630 9.926 10.050 0.00 1.00 -ATOM 959 CFT TOP 1 1 27.630 9.926 13.400 0.00 1.00 -ATOM 960 CFU TOP 1 1 27.630 9.926 16.750 0.00 1.00 -ATOM 961 CFV TOP 1 1 26.402 12.053 10.050 0.00 1.00 -ATOM 962 CFW TOP 1 1 26.402 12.053 13.400 0.00 1.00 -ATOM 963 CFX TOP 1 1 26.402 12.053 16.750 0.00 1.00 -ATOM 964 CFY TOP 1 1 25.174 14.180 10.050 0.00 1.00 -ATOM 965 CFZ TOP 1 1 25.174 14.180 13.400 0.00 1.00 -ATOM 966 CFa TOP 1 1 25.174 14.180 16.750 0.00 1.00 -ATOM 967 CFb TOP 1 1 14.122 16.306 10.050 0.00 1.00 -ATOM 968 CFc TOP 1 1 14.122 16.306 13.400 0.00 1.00 -ATOM 969 CFd TOP 1 1 14.122 16.306 16.750 0.00 1.00 -ATOM 970 CFe TOP 1 1 12.894 18.433 10.050 0.00 1.00 -ATOM 971 CFf TOP 1 1 12.894 18.433 13.400 0.00 1.00 -ATOM 972 CFg TOP 1 1 12.894 18.433 16.750 0.00 1.00 -ATOM 973 CFh TOP 1 1 11.666 20.560 10.050 0.00 1.00 -ATOM 974 CFi TOP 1 1 11.666 20.560 13.400 0.00 1.00 -ATOM 975 CFj TOP 1 1 11.666 20.560 16.750 0.00 1.00 -ATOM 976 CFk TOP 1 1 10.438 22.687 10.050 0.00 1.00 -ATOM 977 CFl TOP 1 1 10.438 22.687 13.400 0.00 1.00 -ATOM 978 CFm TOP 1 1 10.438 22.687 16.750 0.00 1.00 -ATOM 979 CFn TOP 1 1 9.210 24.814 10.050 0.00 1.00 -ATOM 980 CFo TOP 1 1 9.210 24.814 13.400 0.00 1.00 -ATOM 981 CFp TOP 1 1 9.210 24.814 16.750 0.00 1.00 -ATOM 982 CFq TOP 1 1 7.982 26.941 10.050 0.00 1.00 -ATOM 983 CFr TOP 1 1 7.982 26.941 13.400 0.00 1.00 -ATOM 984 CFs TOP 1 1 7.982 26.941 16.750 0.00 1.00 -ATOM 985 CFt TOP 1 1 6.754 29.068 10.050 0.00 1.00 -ATOM 986 CFu TOP 1 1 6.754 29.068 13.400 0.00 1.00 -ATOM 987 CFv TOP 1 1 6.754 29.068 16.750 0.00 1.00 -ATOM 988 CFw TOP 1 1 5.526 1.418 10.050 0.00 1.00 -ATOM 989 CFx TOP 1 1 5.526 1.418 13.400 0.00 1.00 -ATOM 990 CFy TOP 1 1 5.526 1.418 16.750 0.00 1.00 -ATOM 991 CFz TOP 1 1 4.298 3.545 10.050 0.00 1.00 -ATOM 992 CG0 TOP 1 1 4.298 3.545 13.400 0.00 1.00 -ATOM 993 CG1 TOP 1 1 4.298 3.545 16.750 0.00 1.00 -ATOM 994 CG2 TOP 1 1 3.070 5.672 10.050 0.00 1.00 -ATOM 995 CG3 TOP 1 1 3.070 5.672 13.400 0.00 1.00 -ATOM 996 CG4 TOP 1 1 3.070 5.672 16.750 0.00 1.00 -ATOM 997 CG5 TOP 1 1 1.842 7.799 10.050 0.00 1.00 -ATOM 998 CG6 TOP 1 1 1.842 7.799 13.400 0.00 1.00 -ATOM 999 CG7 TOP 1 1 1.842 7.799 16.750 0.00 1.00 -ATOM 1000 CG8 TOP 1 1 0.614 9.926 10.050 0.00 1.00 -ATOM 1001 CG9 TOP 1 1 0.614 9.926 13.400 0.00 1.00 -ATOM 1002 CGA TOP 1 1 0.614 9.926 16.750 0.00 1.00 -ATOM 1003 CGB TOP 1 1 28.858 12.053 10.050 0.00 1.00 -ATOM 1004 CGC TOP 1 1 28.858 12.053 13.400 0.00 1.00 -ATOM 1005 CGD TOP 1 1 28.858 12.053 16.750 0.00 1.00 -ATOM 1006 CGE TOP 1 1 27.630 14.180 10.050 0.00 1.00 -ATOM 1007 CGF TOP 1 1 27.630 14.180 13.400 0.00 1.00 -ATOM 1008 CGG TOP 1 1 27.630 14.180 16.750 0.00 1.00 -ATOM 1009 C1 BOT 1 2 15.350 15.597 0.000 0.00 1.00 -ATOM 1010 C2 BOT 1 2 15.350 15.597 3.350 0.00 1.00 -ATOM 1011 C3 BOT 1 2 15.350 15.597 6.700 0.00 1.00 -ATOM 1012 C4 BOT 1 2 14.122 17.724 0.000 0.00 1.00 -ATOM 1013 C5 BOT 1 2 14.122 17.724 3.350 0.00 1.00 -ATOM 1014 C6 BOT 1 2 14.122 17.724 6.700 0.00 1.00 -ATOM 1015 C7 BOT 1 2 12.894 19.851 0.000 0.00 1.00 -ATOM 1016 C8 BOT 1 2 12.894 19.851 3.350 0.00 1.00 -ATOM 1017 C9 BOT 1 2 12.894 19.851 6.700 0.00 1.00 -ATOM 1018 CA BOT 1 2 11.666 21.978 0.000 0.00 1.00 -ATOM 1019 CB BOT 1 2 11.666 21.978 3.350 0.00 1.00 -ATOM 1020 CC BOT 1 2 11.666 21.978 6.700 0.00 1.00 -ATOM 1021 CD BOT 1 2 10.438 24.105 0.000 0.00 1.00 -ATOM 1022 CE BOT 1 2 10.438 24.105 3.350 0.00 1.00 -ATOM 1023 CF BOT 1 2 10.438 24.105 6.700 0.00 1.00 -ATOM 1024 CG BOT 1 2 9.210 26.232 0.000 0.00 1.00 -ATOM 1025 CH BOT 1 2 9.210 26.232 3.350 0.00 1.00 -ATOM 1026 CI BOT 1 2 9.210 26.232 6.700 0.00 1.00 -ATOM 1027 CJ BOT 1 2 7.982 28.359 0.000 0.00 1.00 -ATOM 1028 CK BOT 1 2 7.982 28.359 3.350 0.00 1.00 -ATOM 1029 CL BOT 1 2 7.982 28.359 6.700 0.00 1.00 -ATOM 1030 CM BOT 1 2 6.754 0.709 0.000 0.00 1.00 -ATOM 1031 CN BOT 1 2 6.754 0.709 3.350 0.00 1.00 -ATOM 1032 CO BOT 1 2 6.754 0.709 6.700 0.00 1.00 -ATOM 1033 CP BOT 1 2 5.526 2.836 0.000 0.00 1.00 -ATOM 1034 CQ BOT 1 2 5.526 2.836 3.350 0.00 1.00 -ATOM 1035 CR BOT 1 2 5.526 2.836 6.700 0.00 1.00 -ATOM 1036 CS BOT 1 2 4.298 4.963 0.000 0.00 1.00 -ATOM 1037 CT BOT 1 2 4.298 4.963 3.350 0.00 1.00 -ATOM 1038 CU BOT 1 2 4.298 4.963 6.700 0.00 1.00 -ATOM 1039 CV BOT 1 2 3.070 7.090 0.000 0.00 1.00 -ATOM 1040 CW BOT 1 2 3.070 7.090 3.350 0.00 1.00 -ATOM 1041 CX BOT 1 2 3.070 7.090 6.700 0.00 1.00 -ATOM 1042 CY BOT 1 2 1.842 9.217 0.000 0.00 1.00 -ATOM 1043 CZ BOT 1 2 1.842 9.217 3.350 0.00 1.00 -ATOM 1044 Ca BOT 1 2 1.842 9.217 6.700 0.00 1.00 -ATOM 1045 Cb BOT 1 2 0.614 11.344 0.000 0.00 1.00 -ATOM 1046 Cc BOT 1 2 0.614 11.344 3.350 0.00 1.00 -ATOM 1047 Cd BOT 1 2 0.614 11.344 6.700 0.00 1.00 -ATOM 1048 Ce BOT 1 2 28.858 13.471 0.000 0.00 1.00 -ATOM 1049 Cf BOT 1 2 28.858 13.471 3.350 0.00 1.00 -ATOM 1050 Cg BOT 1 2 28.858 13.471 6.700 0.00 1.00 -ATOM 1051 Ch BOT 1 2 17.806 15.597 0.000 0.00 1.00 -ATOM 1052 Ci BOT 1 2 17.806 15.597 3.350 0.00 1.00 -ATOM 1053 Cj BOT 1 2 17.806 15.597 6.700 0.00 1.00 -ATOM 1054 Ck BOT 1 2 16.578 17.724 0.000 0.00 1.00 -ATOM 1055 Cl BOT 1 2 16.578 17.724 3.350 0.00 1.00 -ATOM 1056 Cm BOT 1 2 16.578 17.724 6.700 0.00 1.00 -ATOM 1057 Cn BOT 1 2 15.350 19.851 0.000 0.00 1.00 -ATOM 1058 Co BOT 1 2 15.350 19.851 3.350 0.00 1.00 -ATOM 1059 Cp BOT 1 2 15.350 19.851 6.700 0.00 1.00 -ATOM 1060 Cq BOT 1 2 14.122 21.978 0.000 0.00 1.00 -ATOM 1061 Cr BOT 1 2 14.122 21.978 3.350 0.00 1.00 -ATOM 1062 Cs BOT 1 2 14.122 21.978 6.700 0.00 1.00 -ATOM 1063 Ct BOT 1 2 12.894 24.105 0.000 0.00 1.00 -ATOM 1064 Cu BOT 1 2 12.894 24.105 3.350 0.00 1.00 -ATOM 1065 Cv BOT 1 2 12.894 24.105 6.700 0.00 1.00 -ATOM 1066 Cw BOT 1 2 11.666 26.232 0.000 0.00 1.00 -ATOM 1067 Cx BOT 1 2 11.666 26.232 3.350 0.00 1.00 -ATOM 1068 Cy BOT 1 2 11.666 26.232 6.700 0.00 1.00 -ATOM 1069 Cz BOT 1 2 10.438 28.359 0.000 0.00 1.00 -ATOM 1070 C10 BOT 1 2 10.438 28.359 3.350 0.00 1.00 -ATOM 1071 C11 BOT 1 2 10.438 28.359 6.700 0.00 1.00 -ATOM 1072 C12 BOT 1 2 9.210 0.709 0.000 0.00 1.00 -ATOM 1073 C13 BOT 1 2 9.210 0.709 3.350 0.00 1.00 -ATOM 1074 C14 BOT 1 2 9.210 0.709 6.700 0.00 1.00 -ATOM 1075 C15 BOT 1 2 7.982 2.836 0.000 0.00 1.00 -ATOM 1076 C16 BOT 1 2 7.982 2.836 3.350 0.00 1.00 -ATOM 1077 C17 BOT 1 2 7.982 2.836 6.700 0.00 1.00 -ATOM 1078 C18 BOT 1 2 6.754 4.963 0.000 0.00 1.00 -ATOM 1079 C19 BOT 1 2 6.754 4.963 3.350 0.00 1.00 -ATOM 1080 C1A BOT 1 2 6.754 4.963 6.700 0.00 1.00 -ATOM 1081 C1B BOT 1 2 5.526 7.090 0.000 0.00 1.00 -ATOM 1082 C1C BOT 1 2 5.526 7.090 3.350 0.00 1.00 -ATOM 1083 C1D BOT 1 2 5.526 7.090 6.700 0.00 1.00 -ATOM 1084 C1E BOT 1 2 4.298 9.217 0.000 0.00 1.00 -ATOM 1085 C1F BOT 1 2 4.298 9.217 3.350 0.00 1.00 -ATOM 1086 C1G BOT 1 2 4.298 9.217 6.700 0.00 1.00 -ATOM 1087 C1H BOT 1 2 3.070 11.344 0.000 0.00 1.00 -ATOM 1088 C1I BOT 1 2 3.070 11.344 3.350 0.00 1.00 -ATOM 1089 C1J BOT 1 2 3.070 11.344 6.700 0.00 1.00 -ATOM 1090 C1K BOT 1 2 1.842 13.471 0.000 0.00 1.00 -ATOM 1091 C1L BOT 1 2 1.842 13.471 3.350 0.00 1.00 -ATOM 1092 C1M BOT 1 2 1.842 13.471 6.700 0.00 1.00 -ATOM 1093 C1N BOT 1 2 20.262 15.597 0.000 0.00 1.00 -ATOM 1094 C1O BOT 1 2 20.262 15.597 3.350 0.00 1.00 -ATOM 1095 C1P BOT 1 2 20.262 15.597 6.700 0.00 1.00 -ATOM 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-ATOM 1115 C1j BOT 1 2 11.666 0.709 3.350 0.00 1.00 -ATOM 1116 C1k BOT 1 2 11.666 0.709 6.700 0.00 1.00 -ATOM 1117 C1l BOT 1 2 10.438 2.836 0.000 0.00 1.00 -ATOM 1118 C1m BOT 1 2 10.438 2.836 3.350 0.00 1.00 -ATOM 1119 C1n BOT 1 2 10.438 2.836 6.700 0.00 1.00 -ATOM 1120 C1o BOT 1 2 9.210 4.963 0.000 0.00 1.00 -ATOM 1121 C1p BOT 1 2 9.210 4.963 3.350 0.00 1.00 -ATOM 1122 C1q BOT 1 2 9.210 4.963 6.700 0.00 1.00 -ATOM 1123 C1r BOT 1 2 7.982 7.090 0.000 0.00 1.00 -ATOM 1124 C1s BOT 1 2 7.982 7.090 3.350 0.00 1.00 -ATOM 1125 C1t BOT 1 2 7.982 7.090 6.700 0.00 1.00 -ATOM 1126 C1u BOT 1 2 6.754 9.217 0.000 0.00 1.00 -ATOM 1127 C1v BOT 1 2 6.754 9.217 3.350 0.00 1.00 -ATOM 1128 C1w BOT 1 2 6.754 9.217 6.700 0.00 1.00 -ATOM 1129 C1x BOT 1 2 5.526 11.344 0.000 0.00 1.00 -ATOM 1130 C1y BOT 1 2 5.526 11.344 3.350 0.00 1.00 -ATOM 1131 C1z BOT 1 2 5.526 11.344 6.700 0.00 1.00 -ATOM 1132 C20 BOT 1 2 4.298 13.471 0.000 0.00 1.00 -ATOM 1133 C21 BOT 1 2 4.298 13.471 3.350 0.00 1.00 -ATOM 1134 C22 BOT 1 2 4.298 13.471 6.700 0.00 1.00 -ATOM 1135 C23 BOT 1 2 22.718 15.597 0.000 0.00 1.00 -ATOM 1136 C24 BOT 1 2 22.718 15.597 3.350 0.00 1.00 -ATOM 1137 C25 BOT 1 2 22.718 15.597 6.700 0.00 1.00 -ATOM 1138 C26 BOT 1 2 21.490 17.724 0.000 0.00 1.00 -ATOM 1139 C27 BOT 1 2 21.490 17.724 3.350 0.00 1.00 -ATOM 1140 C28 BOT 1 2 21.490 17.724 6.700 0.00 1.00 -ATOM 1141 C29 BOT 1 2 20.262 19.851 0.000 0.00 1.00 -ATOM 1142 C2A BOT 1 2 20.262 19.851 3.350 0.00 1.00 -ATOM 1143 C2B BOT 1 2 20.262 19.851 6.700 0.00 1.00 -ATOM 1144 C2C BOT 1 2 19.034 21.978 0.000 0.00 1.00 -ATOM 1145 C2D BOT 1 2 19.034 21.978 3.350 0.00 1.00 -ATOM 1146 C2E BOT 1 2 19.034 21.978 6.700 0.00 1.00 -ATOM 1147 C2F BOT 1 2 17.806 24.105 0.000 0.00 1.00 -ATOM 1148 C2G BOT 1 2 17.806 24.105 3.350 0.00 1.00 -ATOM 1149 C2H BOT 1 2 17.806 24.105 6.700 0.00 1.00 -ATOM 1150 C2I BOT 1 2 16.578 26.232 0.000 0.00 1.00 -ATOM 1151 C2J BOT 1 2 16.578 26.232 3.350 0.00 1.00 -ATOM 1152 C2K BOT 1 2 16.578 26.232 6.700 0.00 1.00 -ATOM 1153 C2L 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7.982 11.344 3.350 0.00 1.00 -ATOM 1173 C2f BOT 1 2 7.982 11.344 6.700 0.00 1.00 -ATOM 1174 C2g BOT 1 2 6.754 13.471 0.000 0.00 1.00 -ATOM 1175 C2h BOT 1 2 6.754 13.471 3.350 0.00 1.00 -ATOM 1176 C2i BOT 1 2 6.754 13.471 6.700 0.00 1.00 -ATOM 1177 C2j BOT 1 2 25.174 15.597 0.000 0.00 1.00 -ATOM 1178 C2k BOT 1 2 25.174 15.597 3.350 0.00 1.00 -ATOM 1179 C2l BOT 1 2 25.174 15.597 6.700 0.00 1.00 -ATOM 1180 C2m BOT 1 2 23.946 17.724 0.000 0.00 1.00 -ATOM 1181 C2n BOT 1 2 23.946 17.724 3.350 0.00 1.00 -ATOM 1182 C2o BOT 1 2 23.946 17.724 6.700 0.00 1.00 -ATOM 1183 C2p BOT 1 2 22.718 19.851 0.000 0.00 1.00 -ATOM 1184 C2q BOT 1 2 22.718 19.851 3.350 0.00 1.00 -ATOM 1185 C2r BOT 1 2 22.718 19.851 6.700 0.00 1.00 -ATOM 1186 C2s BOT 1 2 21.490 21.978 0.000 0.00 1.00 -ATOM 1187 C2t BOT 1 2 21.490 21.978 3.350 0.00 1.00 -ATOM 1188 C2u BOT 1 2 21.490 21.978 6.700 0.00 1.00 -ATOM 1189 C2v BOT 1 2 20.262 24.105 0.000 0.00 1.00 -ATOM 1190 C2w BOT 1 2 20.262 24.105 3.350 0.00 1.00 -ATOM 1191 C2x BOT 1 2 20.262 24.105 6.700 0.00 1.00 -ATOM 1192 C2y BOT 1 2 19.034 26.232 0.000 0.00 1.00 -ATOM 1193 C2z BOT 1 2 19.034 26.232 3.350 0.00 1.00 -ATOM 1194 C30 BOT 1 2 19.034 26.232 6.700 0.00 1.00 -ATOM 1195 C31 BOT 1 2 17.806 28.359 0.000 0.00 1.00 -ATOM 1196 C32 BOT 1 2 17.806 28.359 3.350 0.00 1.00 -ATOM 1197 C33 BOT 1 2 17.806 28.359 6.700 0.00 1.00 -ATOM 1198 C34 BOT 1 2 16.578 0.709 0.000 0.00 1.00 -ATOM 1199 C35 BOT 1 2 16.578 0.709 3.350 0.00 1.00 -ATOM 1200 C36 BOT 1 2 16.578 0.709 6.700 0.00 1.00 -ATOM 1201 C37 BOT 1 2 15.350 2.836 0.000 0.00 1.00 -ATOM 1202 C38 BOT 1 2 15.350 2.836 3.350 0.00 1.00 -ATOM 1203 C39 BOT 1 2 15.350 2.836 6.700 0.00 1.00 -ATOM 1204 C3A BOT 1 2 14.122 4.963 0.000 0.00 1.00 -ATOM 1205 C3B BOT 1 2 14.122 4.963 3.350 0.00 1.00 -ATOM 1206 C3C BOT 1 2 14.122 4.963 6.700 0.00 1.00 -ATOM 1207 C3D BOT 1 2 12.894 7.090 0.000 0.00 1.00 -ATOM 1208 C3E BOT 1 2 12.894 7.090 3.350 0.00 1.00 -ATOM 1209 C3F BOT 1 2 12.894 7.090 6.700 0.00 1.00 -ATOM 1210 C3G BOT 1 2 11.666 9.217 0.000 0.00 1.00 -ATOM 1211 C3H BOT 1 2 11.666 9.217 3.350 0.00 1.00 -ATOM 1212 C3I BOT 1 2 11.666 9.217 6.700 0.00 1.00 -ATOM 1213 C3J BOT 1 2 10.438 11.344 0.000 0.00 1.00 -ATOM 1214 C3K BOT 1 2 10.438 11.344 3.350 0.00 1.00 -ATOM 1215 C3L BOT 1 2 10.438 11.344 6.700 0.00 1.00 -ATOM 1216 C3M BOT 1 2 9.210 13.471 0.000 0.00 1.00 -ATOM 1217 C3N BOT 1 2 9.210 13.471 3.350 0.00 1.00 -ATOM 1218 C3O BOT 1 2 9.210 13.471 6.700 0.00 1.00 -ATOM 1219 C3P BOT 1 2 27.630 15.597 0.000 0.00 1.00 -ATOM 1220 C3Q BOT 1 2 27.630 15.597 3.350 0.00 1.00 -ATOM 1221 C3R BOT 1 2 27.630 15.597 6.700 0.00 1.00 -ATOM 1222 C3S BOT 1 2 26.402 17.724 0.000 0.00 1.00 -ATOM 1223 C3T BOT 1 2 26.402 17.724 3.350 0.00 1.00 -ATOM 1224 C3U BOT 1 2 26.402 17.724 6.700 0.00 1.00 -ATOM 1225 C3V BOT 1 2 25.174 19.851 0.000 0.00 1.00 -ATOM 1226 C3W BOT 1 2 25.174 19.851 3.350 0.00 1.00 -ATOM 1227 C3X BOT 1 2 25.174 19.851 6.700 0.00 1.00 -ATOM 1228 C3Y BOT 1 2 23.946 21.978 0.000 0.00 1.00 -ATOM 1229 C3Z BOT 1 2 23.946 21.978 3.350 0.00 1.00 -ATOM 1230 C3a BOT 1 2 23.946 21.978 6.700 0.00 1.00 -ATOM 1231 C3b BOT 1 2 22.718 24.105 0.000 0.00 1.00 -ATOM 1232 C3c BOT 1 2 22.718 24.105 3.350 0.00 1.00 -ATOM 1233 C3d BOT 1 2 22.718 24.105 6.700 0.00 1.00 -ATOM 1234 C3e BOT 1 2 21.490 26.232 0.000 0.00 1.00 -ATOM 1235 C3f BOT 1 2 21.490 26.232 3.350 0.00 1.00 -ATOM 1236 C3g BOT 1 2 21.490 26.232 6.700 0.00 1.00 -ATOM 1237 C3h BOT 1 2 20.262 28.359 0.000 0.00 1.00 -ATOM 1238 C3i BOT 1 2 20.262 28.359 3.350 0.00 1.00 -ATOM 1239 C3j BOT 1 2 20.262 28.359 6.700 0.00 1.00 -ATOM 1240 C3k BOT 1 2 19.034 0.709 0.000 0.00 1.00 -ATOM 1241 C3l BOT 1 2 19.034 0.709 3.350 0.00 1.00 -ATOM 1242 C3m BOT 1 2 19.034 0.709 6.700 0.00 1.00 -ATOM 1243 C3n BOT 1 2 17.806 2.836 0.000 0.00 1.00 -ATOM 1244 C3o BOT 1 2 17.806 2.836 3.350 0.00 1.00 -ATOM 1245 C3p BOT 1 2 17.806 2.836 6.700 0.00 1.00 -ATOM 1246 C3q BOT 1 2 16.578 4.963 0.000 0.00 1.00 -ATOM 1247 C3r BOT 1 2 16.578 4.963 3.350 0.00 1.00 -ATOM 1248 C3s BOT 1 2 16.578 4.963 6.700 0.00 1.00 -ATOM 1249 C3t BOT 1 2 15.350 7.090 0.000 0.00 1.00 -ATOM 1250 C3u BOT 1 2 15.350 7.090 3.350 0.00 1.00 -ATOM 1251 C3v BOT 1 2 15.350 7.090 6.700 0.00 1.00 -ATOM 1252 C3w BOT 1 2 14.122 9.217 0.000 0.00 1.00 -ATOM 1253 C3x BOT 1 2 14.122 9.217 3.350 0.00 1.00 -ATOM 1254 C3y BOT 1 2 14.122 9.217 6.700 0.00 1.00 -ATOM 1255 C3z BOT 1 2 12.894 11.344 0.000 0.00 1.00 -ATOM 1256 C40 BOT 1 2 12.894 11.344 3.350 0.00 1.00 -ATOM 1257 C41 BOT 1 2 12.894 11.344 6.700 0.00 1.00 -ATOM 1258 C42 BOT 1 2 11.666 13.471 0.000 0.00 1.00 -ATOM 1259 C43 BOT 1 2 11.666 13.471 3.350 0.00 1.00 -ATOM 1260 C44 BOT 1 2 11.666 13.471 6.700 0.00 1.00 -ATOM 1261 C45 BOT 1 2 0.614 15.597 0.000 0.00 1.00 -ATOM 1262 C46 BOT 1 2 0.614 15.597 3.350 0.00 1.00 -ATOM 1263 C47 BOT 1 2 0.614 15.597 6.700 0.00 1.00 -ATOM 1264 C48 BOT 1 2 28.858 17.724 0.000 0.00 1.00 -ATOM 1265 C49 BOT 1 2 28.858 17.724 3.350 0.00 1.00 -ATOM 1266 C4A BOT 1 2 28.858 17.724 6.700 0.00 1.00 -ATOM 1267 C4B BOT 1 2 27.630 19.851 0.000 0.00 1.00 -ATOM 1268 C4C BOT 1 2 27.630 19.851 3.350 0.00 1.00 -ATOM 1269 C4D BOT 1 2 27.630 19.851 6.700 0.00 1.00 -ATOM 1270 C4E BOT 1 2 26.402 21.978 0.000 0.00 1.00 -ATOM 1271 C4F BOT 1 2 26.402 21.978 3.350 0.00 1.00 -ATOM 1272 C4G BOT 1 2 26.402 21.978 6.700 0.00 1.00 -ATOM 1273 C4H BOT 1 2 25.174 24.105 0.000 0.00 1.00 -ATOM 1274 C4I BOT 1 2 25.174 24.105 3.350 0.00 1.00 -ATOM 1275 C4J BOT 1 2 25.174 24.105 6.700 0.00 1.00 -ATOM 1276 C4K BOT 1 2 23.946 26.232 0.000 0.00 1.00 -ATOM 1277 C4L BOT 1 2 23.946 26.232 3.350 0.00 1.00 -ATOM 1278 C4M BOT 1 2 23.946 26.232 6.700 0.00 1.00 -ATOM 1279 C4N BOT 1 2 22.718 28.359 0.000 0.00 1.00 -ATOM 1280 C4O BOT 1 2 22.718 28.359 3.350 0.00 1.00 -ATOM 1281 C4P BOT 1 2 22.718 28.359 6.700 0.00 1.00 -ATOM 1282 C4Q BOT 1 2 21.490 0.709 0.000 0.00 1.00 -ATOM 1283 C4R BOT 1 2 21.490 0.709 3.350 0.00 1.00 -ATOM 1284 C4S BOT 1 2 21.490 0.709 6.700 0.00 1.00 -ATOM 1285 C4T BOT 1 2 20.262 2.836 0.000 0.00 1.00 -ATOM 1286 C4U BOT 1 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1573 C97 BOT 1 2 11.666 29.068 0.000 0.00 1.00 -ATOM 1574 C98 BOT 1 2 11.666 29.068 3.350 0.00 1.00 -ATOM 1575 C99 BOT 1 2 11.666 29.068 6.700 0.00 1.00 -ATOM 1576 C9A BOT 1 2 10.438 1.418 0.000 0.00 1.00 -ATOM 1577 C9B BOT 1 2 10.438 1.418 3.350 0.00 1.00 -ATOM 1578 C9C BOT 1 2 10.438 1.418 6.700 0.00 1.00 -ATOM 1579 C9D BOT 1 2 9.210 3.545 0.000 0.00 1.00 -ATOM 1580 C9E BOT 1 2 9.210 3.545 3.350 0.00 1.00 -ATOM 1581 C9F BOT 1 2 9.210 3.545 6.700 0.00 1.00 -ATOM 1582 C9G BOT 1 2 7.982 5.672 0.000 0.00 1.00 -ATOM 1583 C9H BOT 1 2 7.982 5.672 3.350 0.00 1.00 -ATOM 1584 C9I BOT 1 2 7.982 5.672 6.700 0.00 1.00 -ATOM 1585 C9J BOT 1 2 6.754 7.799 0.000 0.00 1.00 -ATOM 1586 C9K BOT 1 2 6.754 7.799 3.350 0.00 1.00 -ATOM 1587 C9L BOT 1 2 6.754 7.799 6.700 0.00 1.00 -ATOM 1588 C9M BOT 1 2 5.526 9.926 0.000 0.00 1.00 -ATOM 1589 C9N BOT 1 2 5.526 9.926 3.350 0.00 1.00 -ATOM 1590 C9O BOT 1 2 5.526 9.926 6.700 0.00 1.00 -ATOM 1591 C9P BOT 1 2 4.298 12.053 0.000 0.00 1.00 -ATOM 1592 C9Q BOT 1 2 4.298 12.053 3.350 0.00 1.00 -ATOM 1593 C9R BOT 1 2 4.298 12.053 6.700 0.00 1.00 -ATOM 1594 C9S BOT 1 2 3.070 14.180 0.000 0.00 1.00 -ATOM 1595 C9T BOT 1 2 3.070 14.180 3.350 0.00 1.00 -ATOM 1596 C9U BOT 1 2 3.070 14.180 6.700 0.00 1.00 -ATOM 1597 C9V BOT 1 2 21.490 16.306 0.000 0.00 1.00 -ATOM 1598 C9W BOT 1 2 21.490 16.306 3.350 0.00 1.00 -ATOM 1599 C9X BOT 1 2 21.490 16.306 6.700 0.00 1.00 -ATOM 1600 C9Y BOT 1 2 20.262 18.433 0.000 0.00 1.00 -ATOM 1601 C9Z BOT 1 2 20.262 18.433 3.350 0.00 1.00 -ATOM 1602 C9a BOT 1 2 20.262 18.433 6.700 0.00 1.00 -ATOM 1603 C9b BOT 1 2 19.034 20.560 0.000 0.00 1.00 -ATOM 1604 C9c BOT 1 2 19.034 20.560 3.350 0.00 1.00 -ATOM 1605 C9d BOT 1 2 19.034 20.560 6.700 0.00 1.00 -ATOM 1606 C9e BOT 1 2 17.806 22.687 0.000 0.00 1.00 -ATOM 1607 C9f BOT 1 2 17.806 22.687 3.350 0.00 1.00 -ATOM 1608 C9g BOT 1 2 17.806 22.687 6.700 0.00 1.00 -ATOM 1609 C9h BOT 1 2 16.578 24.814 0.000 0.00 1.00 -ATOM 1610 C9i BOT 1 2 16.578 24.814 3.350 0.00 1.00 -ATOM 1611 C9j BOT 1 2 16.578 24.814 6.700 0.00 1.00 -ATOM 1612 C9k BOT 1 2 15.350 26.941 0.000 0.00 1.00 -ATOM 1613 C9l BOT 1 2 15.350 26.941 3.350 0.00 1.00 -ATOM 1614 C9m BOT 1 2 15.350 26.941 6.700 0.00 1.00 -ATOM 1615 C9n BOT 1 2 14.122 29.068 0.000 0.00 1.00 -ATOM 1616 C9o BOT 1 2 14.122 29.068 3.350 0.00 1.00 -ATOM 1617 C9p BOT 1 2 14.122 29.068 6.700 0.00 1.00 -ATOM 1618 C9q BOT 1 2 12.894 1.418 0.000 0.00 1.00 -ATOM 1619 C9r BOT 1 2 12.894 1.418 3.350 0.00 1.00 -ATOM 1620 C9s BOT 1 2 12.894 1.418 6.700 0.00 1.00 -ATOM 1621 C9t BOT 1 2 11.666 3.545 0.000 0.00 1.00 -ATOM 1622 C9u BOT 1 2 11.666 3.545 3.350 0.00 1.00 -ATOM 1623 C9v BOT 1 2 11.666 3.545 6.700 0.00 1.00 -ATOM 1624 C9w BOT 1 2 10.438 5.672 0.000 0.00 1.00 -ATOM 1625 C9x BOT 1 2 10.438 5.672 3.350 0.00 1.00 -ATOM 1626 C9y BOT 1 2 10.438 5.672 6.700 0.00 1.00 -ATOM 1627 C9z BOT 1 2 9.210 7.799 0.000 0.00 1.00 -ATOM 1628 CA0 BOT 1 2 9.210 7.799 3.350 0.00 1.00 -ATOM 1629 CA1 BOT 1 2 9.210 7.799 6.700 0.00 1.00 -ATOM 1630 CA2 BOT 1 2 7.982 9.926 0.000 0.00 1.00 -ATOM 1631 CA3 BOT 1 2 7.982 9.926 3.350 0.00 1.00 -ATOM 1632 CA4 BOT 1 2 7.982 9.926 6.700 0.00 1.00 -ATOM 1633 CA5 BOT 1 2 6.754 12.053 0.000 0.00 1.00 -ATOM 1634 CA6 BOT 1 2 6.754 12.053 3.350 0.00 1.00 -ATOM 1635 CA7 BOT 1 2 6.754 12.053 6.700 0.00 1.00 -ATOM 1636 CA8 BOT 1 2 5.526 14.180 0.000 0.00 1.00 -ATOM 1637 CA9 BOT 1 2 5.526 14.180 3.350 0.00 1.00 -ATOM 1638 CAA BOT 1 2 5.526 14.180 6.700 0.00 1.00 -ATOM 1639 CAB BOT 1 2 23.946 16.306 0.000 0.00 1.00 -ATOM 1640 CAC BOT 1 2 23.946 16.306 3.350 0.00 1.00 -ATOM 1641 CAD BOT 1 2 23.946 16.306 6.700 0.00 1.00 -ATOM 1642 CAE BOT 1 2 22.718 18.433 0.000 0.00 1.00 -ATOM 1643 CAF BOT 1 2 22.718 18.433 3.350 0.00 1.00 -ATOM 1644 CAG BOT 1 2 22.718 18.433 6.700 0.00 1.00 -ATOM 1645 CAH BOT 1 2 21.490 20.560 0.000 0.00 1.00 -ATOM 1646 CAI BOT 1 2 21.490 20.560 3.350 0.00 1.00 -ATOM 1647 CAJ BOT 1 2 21.490 20.560 6.700 0.00 1.00 -ATOM 1648 CAK BOT 1 2 20.262 22.687 0.000 0.00 1.00 -ATOM 1649 CAL BOT 1 2 20.262 22.687 3.350 0.00 1.00 -ATOM 1650 CAM BOT 1 2 20.262 22.687 6.700 0.00 1.00 -ATOM 1651 CAN BOT 1 2 19.034 24.814 0.000 0.00 1.00 -ATOM 1652 CAO BOT 1 2 19.034 24.814 3.350 0.00 1.00 -ATOM 1653 CAP BOT 1 2 19.034 24.814 6.700 0.00 1.00 -ATOM 1654 CAQ BOT 1 2 17.806 26.941 0.000 0.00 1.00 -ATOM 1655 CAR BOT 1 2 17.806 26.941 3.350 0.00 1.00 -ATOM 1656 CAS BOT 1 2 17.806 26.941 6.700 0.00 1.00 -ATOM 1657 CAT BOT 1 2 16.578 29.068 0.000 0.00 1.00 -ATOM 1658 CAU BOT 1 2 16.578 29.068 3.350 0.00 1.00 -ATOM 1659 CAV BOT 1 2 16.578 29.068 6.700 0.00 1.00 -ATOM 1660 CAW BOT 1 2 15.350 1.418 0.000 0.00 1.00 -ATOM 1661 CAX BOT 1 2 15.350 1.418 3.350 0.00 1.00 -ATOM 1662 CAY BOT 1 2 15.350 1.418 6.700 0.00 1.00 -ATOM 1663 CAZ BOT 1 2 14.122 3.545 0.000 0.00 1.00 -ATOM 1664 CAa BOT 1 2 14.122 3.545 3.350 0.00 1.00 -ATOM 1665 CAb BOT 1 2 14.122 3.545 6.700 0.00 1.00 -ATOM 1666 CAc BOT 1 2 12.894 5.672 0.000 0.00 1.00 -ATOM 1667 CAd BOT 1 2 12.894 5.672 3.350 0.00 1.00 -ATOM 1668 CAe BOT 1 2 12.894 5.672 6.700 0.00 1.00 -ATOM 1669 CAf BOT 1 2 11.666 7.799 0.000 0.00 1.00 -ATOM 1670 CAg BOT 1 2 11.666 7.799 3.350 0.00 1.00 -ATOM 1671 CAh BOT 1 2 11.666 7.799 6.700 0.00 1.00 -ATOM 1672 CAi BOT 1 2 10.438 9.926 0.000 0.00 1.00 -ATOM 1673 CAj BOT 1 2 10.438 9.926 3.350 0.00 1.00 -ATOM 1674 CAk BOT 1 2 10.438 9.926 6.700 0.00 1.00 -ATOM 1675 CAl BOT 1 2 9.210 12.053 0.000 0.00 1.00 -ATOM 1676 CAm BOT 1 2 9.210 12.053 3.350 0.00 1.00 -ATOM 1677 CAn BOT 1 2 9.210 12.053 6.700 0.00 1.00 -ATOM 1678 CAo BOT 1 2 7.982 14.180 0.000 0.00 1.00 -ATOM 1679 CAp BOT 1 2 7.982 14.180 3.350 0.00 1.00 -ATOM 1680 CAq BOT 1 2 7.982 14.180 6.700 0.00 1.00 -ATOM 1681 CAr BOT 1 2 26.402 16.306 0.000 0.00 1.00 -ATOM 1682 CAs BOT 1 2 26.402 16.306 3.350 0.00 1.00 -ATOM 1683 CAt BOT 1 2 26.402 16.306 6.700 0.00 1.00 -ATOM 1684 CAu BOT 1 2 25.174 18.433 0.000 0.00 1.00 -ATOM 1685 CAv BOT 1 2 25.174 18.433 3.350 0.00 1.00 -ATOM 1686 CAw BOT 1 2 25.174 18.433 6.700 0.00 1.00 -ATOM 1687 CAx BOT 1 2 23.946 20.560 0.000 0.00 1.00 -ATOM 1688 CAy BOT 1 2 23.946 20.560 3.350 0.00 1.00 -ATOM 1689 CAz BOT 1 2 23.946 20.560 6.700 0.00 1.00 -ATOM 1690 CB0 BOT 1 2 22.718 22.687 0.000 0.00 1.00 -ATOM 1691 CB1 BOT 1 2 22.718 22.687 3.350 0.00 1.00 -ATOM 1692 CB2 BOT 1 2 22.718 22.687 6.700 0.00 1.00 -ATOM 1693 CB3 BOT 1 2 21.490 24.814 0.000 0.00 1.00 -ATOM 1694 CB4 BOT 1 2 21.490 24.814 3.350 0.00 1.00 -ATOM 1695 CB5 BOT 1 2 21.490 24.814 6.700 0.00 1.00 -ATOM 1696 CB6 BOT 1 2 20.262 26.941 0.000 0.00 1.00 -ATOM 1697 CB7 BOT 1 2 20.262 26.941 3.350 0.00 1.00 -ATOM 1698 CB8 BOT 1 2 20.262 26.941 6.700 0.00 1.00 -ATOM 1699 CB9 BOT 1 2 19.034 29.068 0.000 0.00 1.00 -ATOM 1700 CBA BOT 1 2 19.034 29.068 3.350 0.00 1.00 -ATOM 1701 CBB BOT 1 2 19.034 29.068 6.700 0.00 1.00 -ATOM 1702 CBC BOT 1 2 17.806 1.418 0.000 0.00 1.00 -ATOM 1703 CBD BOT 1 2 17.806 1.418 3.350 0.00 1.00 -ATOM 1704 CBE BOT 1 2 17.806 1.418 6.700 0.00 1.00 -ATOM 1705 CBF BOT 1 2 16.578 3.545 0.000 0.00 1.00 -ATOM 1706 CBG BOT 1 2 16.578 3.545 3.350 0.00 1.00 -ATOM 1707 CBH BOT 1 2 16.578 3.545 6.700 0.00 1.00 -ATOM 1708 CBI BOT 1 2 15.350 5.672 0.000 0.00 1.00 -ATOM 1709 CBJ BOT 1 2 15.350 5.672 3.350 0.00 1.00 -ATOM 1710 CBK BOT 1 2 15.350 5.672 6.700 0.00 1.00 -ATOM 1711 CBL BOT 1 2 14.122 7.799 0.000 0.00 1.00 -ATOM 1712 CBM BOT 1 2 14.122 7.799 3.350 0.00 1.00 -ATOM 1713 CBN BOT 1 2 14.122 7.799 6.700 0.00 1.00 -ATOM 1714 CBO BOT 1 2 12.894 9.926 0.000 0.00 1.00 -ATOM 1715 CBP BOT 1 2 12.894 9.926 3.350 0.00 1.00 -ATOM 1716 CBQ BOT 1 2 12.894 9.926 6.700 0.00 1.00 -ATOM 1717 CBR BOT 1 2 11.666 12.053 0.000 0.00 1.00 -ATOM 1718 CBS BOT 1 2 11.666 12.053 3.350 0.00 1.00 -ATOM 1719 CBT BOT 1 2 11.666 12.053 6.700 0.00 1.00 -ATOM 1720 CBU BOT 1 2 10.438 14.180 0.000 0.00 1.00 -ATOM 1721 CBV BOT 1 2 10.438 14.180 3.350 0.00 1.00 -ATOM 1722 CBW BOT 1 2 10.438 14.180 6.700 0.00 1.00 -ATOM 1723 CBX BOT 1 2 28.858 16.306 0.000 0.00 1.00 -ATOM 1724 CBY BOT 1 2 28.858 16.306 3.350 0.00 1.00 -ATOM 1725 CBZ BOT 1 2 28.858 16.306 6.700 0.00 1.00 -ATOM 1726 CBa BOT 1 2 27.630 18.433 0.000 0.00 1.00 -ATOM 1727 CBb BOT 1 2 27.630 18.433 3.350 0.00 1.00 -ATOM 1728 CBc BOT 1 2 27.630 18.433 6.700 0.00 1.00 -ATOM 1729 CBd BOT 1 2 26.402 20.560 0.000 0.00 1.00 -ATOM 1730 CBe BOT 1 2 26.402 20.560 3.350 0.00 1.00 -ATOM 1731 CBf BOT 1 2 26.402 20.560 6.700 0.00 1.00 -ATOM 1732 CBg BOT 1 2 25.174 22.687 0.000 0.00 1.00 -ATOM 1733 CBh BOT 1 2 25.174 22.687 3.350 0.00 1.00 -ATOM 1734 CBi BOT 1 2 25.174 22.687 6.700 0.00 1.00 -ATOM 1735 CBj BOT 1 2 23.946 24.814 0.000 0.00 1.00 -ATOM 1736 CBk BOT 1 2 23.946 24.814 3.350 0.00 1.00 -ATOM 1737 CBl BOT 1 2 23.946 24.814 6.700 0.00 1.00 -ATOM 1738 CBm BOT 1 2 22.718 26.941 0.000 0.00 1.00 -ATOM 1739 CBn BOT 1 2 22.718 26.941 3.350 0.00 1.00 -ATOM 1740 CBo BOT 1 2 22.718 26.941 6.700 0.00 1.00 -ATOM 1741 CBp BOT 1 2 21.490 29.068 0.000 0.00 1.00 -ATOM 1742 CBq BOT 1 2 21.490 29.068 3.350 0.00 1.00 -ATOM 1743 CBr BOT 1 2 21.490 29.068 6.700 0.00 1.00 -ATOM 1744 CBs BOT 1 2 20.262 1.418 0.000 0.00 1.00 -ATOM 1745 CBt BOT 1 2 20.262 1.418 3.350 0.00 1.00 -ATOM 1746 CBu BOT 1 2 20.262 1.418 6.700 0.00 1.00 -ATOM 1747 CBv BOT 1 2 19.034 3.545 0.000 0.00 1.00 -ATOM 1748 CBw BOT 1 2 19.034 3.545 3.350 0.00 1.00 -ATOM 1749 CBx BOT 1 2 19.034 3.545 6.700 0.00 1.00 -ATOM 1750 CBy BOT 1 2 17.806 5.672 0.000 0.00 1.00 -ATOM 1751 CBz BOT 1 2 17.806 5.672 3.350 0.00 1.00 -ATOM 1752 CC0 BOT 1 2 17.806 5.672 6.700 0.00 1.00 -ATOM 1753 CC1 BOT 1 2 16.578 7.799 0.000 0.00 1.00 -ATOM 1754 CC2 BOT 1 2 16.578 7.799 3.350 0.00 1.00 -ATOM 1755 CC3 BOT 1 2 16.578 7.799 6.700 0.00 1.00 -ATOM 1756 CC4 BOT 1 2 15.350 9.926 0.000 0.00 1.00 -ATOM 1757 CC5 BOT 1 2 15.350 9.926 3.350 0.00 1.00 -ATOM 1758 CC6 BOT 1 2 15.350 9.926 6.700 0.00 1.00 -ATOM 1759 CC7 BOT 1 2 14.122 12.053 0.000 0.00 1.00 -ATOM 1760 CC8 BOT 1 2 14.122 12.053 3.350 0.00 1.00 -ATOM 1761 CC9 BOT 1 2 14.122 12.053 6.700 0.00 1.00 -ATOM 1762 CCA BOT 1 2 12.894 14.180 0.000 0.00 1.00 -ATOM 1763 CCB BOT 1 2 12.894 14.180 3.350 0.00 1.00 -ATOM 1764 CCC BOT 1 2 12.894 14.180 6.700 0.00 1.00 -ATOM 1765 CCD BOT 1 2 1.842 16.306 0.000 0.00 1.00 -ATOM 1766 CCE BOT 1 2 1.842 16.306 3.350 0.00 1.00 -ATOM 1767 CCF BOT 1 2 1.842 16.306 6.700 0.00 1.00 -ATOM 1768 CCG BOT 1 2 0.614 18.433 0.000 0.00 1.00 -ATOM 1769 CCH BOT 1 2 0.614 18.433 3.350 0.00 1.00 -ATOM 1770 CCI BOT 1 2 0.614 18.433 6.700 0.00 1.00 -ATOM 1771 CCJ BOT 1 2 28.858 20.560 0.000 0.00 1.00 -ATOM 1772 CCK BOT 1 2 28.858 20.560 3.350 0.00 1.00 -ATOM 1773 CCL BOT 1 2 28.858 20.560 6.700 0.00 1.00 -ATOM 1774 CCM BOT 1 2 27.630 22.687 0.000 0.00 1.00 -ATOM 1775 CCN BOT 1 2 27.630 22.687 3.350 0.00 1.00 -ATOM 1776 CCO BOT 1 2 27.630 22.687 6.700 0.00 1.00 -ATOM 1777 CCP BOT 1 2 26.402 24.814 0.000 0.00 1.00 -ATOM 1778 CCQ BOT 1 2 26.402 24.814 3.350 0.00 1.00 -ATOM 1779 CCR BOT 1 2 26.402 24.814 6.700 0.00 1.00 -ATOM 1780 CCS BOT 1 2 25.174 26.941 0.000 0.00 1.00 -ATOM 1781 CCT BOT 1 2 25.174 26.941 3.350 0.00 1.00 -ATOM 1782 CCU BOT 1 2 25.174 26.941 6.700 0.00 1.00 -ATOM 1783 CCV BOT 1 2 23.946 29.068 0.000 0.00 1.00 -ATOM 1784 CCW BOT 1 2 23.946 29.068 3.350 0.00 1.00 -ATOM 1785 CCX BOT 1 2 23.946 29.068 6.700 0.00 1.00 -ATOM 1786 CCY BOT 1 2 22.718 1.418 0.000 0.00 1.00 -ATOM 1787 CCZ BOT 1 2 22.718 1.418 3.350 0.00 1.00 -ATOM 1788 CCa BOT 1 2 22.718 1.418 6.700 0.00 1.00 -ATOM 1789 CCb BOT 1 2 21.490 3.545 0.000 0.00 1.00 -ATOM 1790 CCc BOT 1 2 21.490 3.545 3.350 0.00 1.00 -ATOM 1791 CCd BOT 1 2 21.490 3.545 6.700 0.00 1.00 -ATOM 1792 CCe BOT 1 2 20.262 5.672 0.000 0.00 1.00 -ATOM 1793 CCf BOT 1 2 20.262 5.672 3.350 0.00 1.00 -ATOM 1794 CCg BOT 1 2 20.262 5.672 6.700 0.00 1.00 -ATOM 1795 CCh BOT 1 2 19.034 7.799 0.000 0.00 1.00 -ATOM 1796 CCi BOT 1 2 19.034 7.799 3.350 0.00 1.00 -ATOM 1797 CCj BOT 1 2 19.034 7.799 6.700 0.00 1.00 -ATOM 1798 CCk BOT 1 2 17.806 9.926 0.000 0.00 1.00 -ATOM 1799 CCl BOT 1 2 17.806 9.926 3.350 0.00 1.00 -ATOM 1800 CCm BOT 1 2 17.806 9.926 6.700 0.00 1.00 -ATOM 1801 CCn BOT 1 2 16.578 12.053 0.000 0.00 1.00 -ATOM 1802 CCo BOT 1 2 16.578 12.053 3.350 0.00 1.00 -ATOM 1803 CCp BOT 1 2 16.578 12.053 6.700 0.00 1.00 -ATOM 1804 CCq BOT 1 2 15.350 14.180 0.000 0.00 1.00 -ATOM 1805 CCr BOT 1 2 15.350 14.180 3.350 0.00 1.00 -ATOM 1806 CCs BOT 1 2 15.350 14.180 6.700 0.00 1.00 -ATOM 1807 CCt BOT 1 2 4.298 16.306 0.000 0.00 1.00 -ATOM 1808 CCu BOT 1 2 4.298 16.306 3.350 0.00 1.00 -ATOM 1809 CCv BOT 1 2 4.298 16.306 6.700 0.00 1.00 -ATOM 1810 CCw BOT 1 2 3.070 18.433 0.000 0.00 1.00 -ATOM 1811 CCx BOT 1 2 3.070 18.433 3.350 0.00 1.00 -ATOM 1812 CCy BOT 1 2 3.070 18.433 6.700 0.00 1.00 -ATOM 1813 CCz BOT 1 2 1.842 20.560 0.000 0.00 1.00 -ATOM 1814 CD0 BOT 1 2 1.842 20.560 3.350 0.00 1.00 -ATOM 1815 CD1 BOT 1 2 1.842 20.560 6.700 0.00 1.00 -ATOM 1816 CD2 BOT 1 2 0.614 22.687 0.000 0.00 1.00 -ATOM 1817 CD3 BOT 1 2 0.614 22.687 3.350 0.00 1.00 -ATOM 1818 CD4 BOT 1 2 0.614 22.687 6.700 0.00 1.00 -ATOM 1819 CD5 BOT 1 2 28.858 24.814 0.000 0.00 1.00 -ATOM 1820 CD6 BOT 1 2 28.858 24.814 3.350 0.00 1.00 -ATOM 1821 CD7 BOT 1 2 28.858 24.814 6.700 0.00 1.00 -ATOM 1822 CD8 BOT 1 2 27.630 26.941 0.000 0.00 1.00 -ATOM 1823 CD9 BOT 1 2 27.630 26.941 3.350 0.00 1.00 -ATOM 1824 CDA BOT 1 2 27.630 26.941 6.700 0.00 1.00 -ATOM 1825 CDB BOT 1 2 26.402 29.068 0.000 0.00 1.00 -ATOM 1826 CDC BOT 1 2 26.402 29.068 3.350 0.00 1.00 -ATOM 1827 CDD BOT 1 2 26.402 29.068 6.700 0.00 1.00 -ATOM 1828 CDE BOT 1 2 25.174 1.418 0.000 0.00 1.00 -ATOM 1829 CDF BOT 1 2 25.174 1.418 3.350 0.00 1.00 -ATOM 1830 CDG BOT 1 2 25.174 1.418 6.700 0.00 1.00 -ATOM 1831 CDH BOT 1 2 23.946 3.545 0.000 0.00 1.00 -ATOM 1832 CDI BOT 1 2 23.946 3.545 3.350 0.00 1.00 -ATOM 1833 CDJ BOT 1 2 23.946 3.545 6.700 0.00 1.00 -ATOM 1834 CDK BOT 1 2 22.718 5.672 0.000 0.00 1.00 -ATOM 1835 CDL BOT 1 2 22.718 5.672 3.350 0.00 1.00 -ATOM 1836 CDM BOT 1 2 22.718 5.672 6.700 0.00 1.00 -ATOM 1837 CDN BOT 1 2 21.490 7.799 0.000 0.00 1.00 -ATOM 1838 CDO BOT 1 2 21.490 7.799 3.350 0.00 1.00 -ATOM 1839 CDP BOT 1 2 21.490 7.799 6.700 0.00 1.00 -ATOM 1840 CDQ BOT 1 2 20.262 9.926 0.000 0.00 1.00 -ATOM 1841 CDR BOT 1 2 20.262 9.926 3.350 0.00 1.00 -ATOM 1842 CDS BOT 1 2 20.262 9.926 6.700 0.00 1.00 -ATOM 1843 CDT BOT 1 2 19.034 12.053 0.000 0.00 1.00 -ATOM 1844 CDU BOT 1 2 19.034 12.053 3.350 0.00 1.00 -ATOM 1845 CDV BOT 1 2 19.034 12.053 6.700 0.00 1.00 -ATOM 1846 CDW BOT 1 2 17.806 14.180 0.000 0.00 1.00 -ATOM 1847 CDX BOT 1 2 17.806 14.180 3.350 0.00 1.00 -ATOM 1848 CDY BOT 1 2 17.806 14.180 6.700 0.00 1.00 -ATOM 1849 CDZ BOT 1 2 6.754 16.306 0.000 0.00 1.00 -ATOM 1850 CDa BOT 1 2 6.754 16.306 3.350 0.00 1.00 -ATOM 1851 CDb BOT 1 2 6.754 16.306 6.700 0.00 1.00 -ATOM 1852 CDc BOT 1 2 5.526 18.433 0.000 0.00 1.00 -ATOM 1853 CDd BOT 1 2 5.526 18.433 3.350 0.00 1.00 -ATOM 1854 CDe BOT 1 2 5.526 18.433 6.700 0.00 1.00 -ATOM 1855 CDf BOT 1 2 4.298 20.560 0.000 0.00 1.00 -ATOM 1856 CDg BOT 1 2 4.298 20.560 3.350 0.00 1.00 -ATOM 1857 CDh BOT 1 2 4.298 20.560 6.700 0.00 1.00 -ATOM 1858 CDi BOT 1 2 3.070 22.687 0.000 0.00 1.00 -ATOM 1859 CDj BOT 1 2 3.070 22.687 3.350 0.00 1.00 -ATOM 1860 CDk BOT 1 2 3.070 22.687 6.700 0.00 1.00 -ATOM 1861 CDl BOT 1 2 1.842 24.814 0.000 0.00 1.00 -ATOM 1862 CDm BOT 1 2 1.842 24.814 3.350 0.00 1.00 -ATOM 1863 CDn BOT 1 2 1.842 24.814 6.700 0.00 1.00 -ATOM 1864 CDo BOT 1 2 0.614 26.941 0.000 0.00 1.00 -ATOM 1865 CDp BOT 1 2 0.614 26.941 3.350 0.00 1.00 -ATOM 1866 CDq BOT 1 2 0.614 26.941 6.700 0.00 1.00 -ATOM 1867 CDr BOT 1 2 28.858 29.068 0.000 0.00 1.00 -ATOM 1868 CDs BOT 1 2 28.858 29.068 3.350 0.00 1.00 -ATOM 1869 CDt BOT 1 2 28.858 29.068 6.700 0.00 1.00 -ATOM 1870 CDu BOT 1 2 27.630 1.418 0.000 0.00 1.00 -ATOM 1871 CDv BOT 1 2 27.630 1.418 3.350 0.00 1.00 -ATOM 1872 CDw BOT 1 2 27.630 1.418 6.700 0.00 1.00 -ATOM 1873 CDx BOT 1 2 26.402 3.545 0.000 0.00 1.00 -ATOM 1874 CDy BOT 1 2 26.402 3.545 3.350 0.00 1.00 -ATOM 1875 CDz BOT 1 2 26.402 3.545 6.700 0.00 1.00 -ATOM 1876 CE0 BOT 1 2 25.174 5.672 0.000 0.00 1.00 -ATOM 1877 CE1 BOT 1 2 25.174 5.672 3.350 0.00 1.00 -ATOM 1878 CE2 BOT 1 2 25.174 5.672 6.700 0.00 1.00 -ATOM 1879 CE3 BOT 1 2 23.946 7.799 0.000 0.00 1.00 -ATOM 1880 CE4 BOT 1 2 23.946 7.799 3.350 0.00 1.00 -ATOM 1881 CE5 BOT 1 2 23.946 7.799 6.700 0.00 1.00 -ATOM 1882 CE6 BOT 1 2 22.718 9.926 0.000 0.00 1.00 -ATOM 1883 CE7 BOT 1 2 22.718 9.926 3.350 0.00 1.00 -ATOM 1884 CE8 BOT 1 2 22.718 9.926 6.700 0.00 1.00 -ATOM 1885 CE9 BOT 1 2 21.490 12.053 0.000 0.00 1.00 -ATOM 1886 CEA BOT 1 2 21.490 12.053 3.350 0.00 1.00 -ATOM 1887 CEB BOT 1 2 21.490 12.053 6.700 0.00 1.00 -ATOM 1888 CEC BOT 1 2 20.262 14.180 0.000 0.00 1.00 -ATOM 1889 CED BOT 1 2 20.262 14.180 3.350 0.00 1.00 -ATOM 1890 CEE BOT 1 2 20.262 14.180 6.700 0.00 1.00 -ATOM 1891 CEF BOT 1 2 9.210 16.306 0.000 0.00 1.00 -ATOM 1892 CEG BOT 1 2 9.210 16.306 3.350 0.00 1.00 -ATOM 1893 CEH BOT 1 2 9.210 16.306 6.700 0.00 1.00 -ATOM 1894 CEI BOT 1 2 7.982 18.433 0.000 0.00 1.00 -ATOM 1895 CEJ BOT 1 2 7.982 18.433 3.350 0.00 1.00 -ATOM 1896 CEK BOT 1 2 7.982 18.433 6.700 0.00 1.00 -ATOM 1897 CEL BOT 1 2 6.754 20.560 0.000 0.00 1.00 -ATOM 1898 CEM BOT 1 2 6.754 20.560 3.350 0.00 1.00 -ATOM 1899 CEN BOT 1 2 6.754 20.560 6.700 0.00 1.00 -ATOM 1900 CEO BOT 1 2 5.526 22.687 0.000 0.00 1.00 -ATOM 1901 CEP BOT 1 2 5.526 22.687 3.350 0.00 1.00 -ATOM 1902 CEQ BOT 1 2 5.526 22.687 6.700 0.00 1.00 -ATOM 1903 CER BOT 1 2 4.298 24.814 0.000 0.00 1.00 -ATOM 1904 CES BOT 1 2 4.298 24.814 3.350 0.00 1.00 -ATOM 1905 CET BOT 1 2 4.298 24.814 6.700 0.00 1.00 -ATOM 1906 CEU BOT 1 2 3.070 26.941 0.000 0.00 1.00 -ATOM 1907 CEV BOT 1 2 3.070 26.941 3.350 0.00 1.00 -ATOM 1908 CEW BOT 1 2 3.070 26.941 6.700 0.00 1.00 -ATOM 1909 CEX BOT 1 2 1.842 29.068 0.000 0.00 1.00 -ATOM 1910 CEY BOT 1 2 1.842 29.068 3.350 0.00 1.00 -ATOM 1911 CEZ BOT 1 2 1.842 29.068 6.700 0.00 1.00 -ATOM 1912 CEa BOT 1 2 0.614 1.418 0.000 0.00 1.00 -ATOM 1913 CEb BOT 1 2 0.614 1.418 3.350 0.00 1.00 -ATOM 1914 CEc BOT 1 2 0.614 1.418 6.700 0.00 1.00 -ATOM 1915 CEd BOT 1 2 28.858 3.545 0.000 0.00 1.00 -ATOM 1916 CEe BOT 1 2 28.858 3.545 3.350 0.00 1.00 -ATOM 1917 CEf BOT 1 2 28.858 3.545 6.700 0.00 1.00 -ATOM 1918 CEg BOT 1 2 27.630 5.672 0.000 0.00 1.00 -ATOM 1919 CEh BOT 1 2 27.630 5.672 3.350 0.00 1.00 -ATOM 1920 CEi BOT 1 2 27.630 5.672 6.700 0.00 1.00 -ATOM 1921 CEj BOT 1 2 26.402 7.799 0.000 0.00 1.00 -ATOM 1922 CEk BOT 1 2 26.402 7.799 3.350 0.00 1.00 -ATOM 1923 CEl BOT 1 2 26.402 7.799 6.700 0.00 1.00 -ATOM 1924 CEm BOT 1 2 25.174 9.926 0.000 0.00 1.00 -ATOM 1925 CEn BOT 1 2 25.174 9.926 3.350 0.00 1.00 -ATOM 1926 CEo BOT 1 2 25.174 9.926 6.700 0.00 1.00 -ATOM 1927 CEp BOT 1 2 23.946 12.053 0.000 0.00 1.00 -ATOM 1928 CEq BOT 1 2 23.946 12.053 3.350 0.00 1.00 -ATOM 1929 CEr BOT 1 2 23.946 12.053 6.700 0.00 1.00 -ATOM 1930 CEs BOT 1 2 22.718 14.180 0.000 0.00 1.00 -ATOM 1931 CEt BOT 1 2 22.718 14.180 3.350 0.00 1.00 -ATOM 1932 CEu BOT 1 2 22.718 14.180 6.700 0.00 1.00 -ATOM 1933 CEv BOT 1 2 11.666 16.306 0.000 0.00 1.00 -ATOM 1934 CEw BOT 1 2 11.666 16.306 3.350 0.00 1.00 -ATOM 1935 CEx BOT 1 2 11.666 16.306 6.700 0.00 1.00 -ATOM 1936 CEy BOT 1 2 10.438 18.433 0.000 0.00 1.00 -ATOM 1937 CEz BOT 1 2 10.438 18.433 3.350 0.00 1.00 -ATOM 1938 CF0 BOT 1 2 10.438 18.433 6.700 0.00 1.00 -ATOM 1939 CF1 BOT 1 2 9.210 20.560 0.000 0.00 1.00 -ATOM 1940 CF2 BOT 1 2 9.210 20.560 3.350 0.00 1.00 -ATOM 1941 CF3 BOT 1 2 9.210 20.560 6.700 0.00 1.00 -ATOM 1942 CF4 BOT 1 2 7.982 22.687 0.000 0.00 1.00 -ATOM 1943 CF5 BOT 1 2 7.982 22.687 3.350 0.00 1.00 -ATOM 1944 CF6 BOT 1 2 7.982 22.687 6.700 0.00 1.00 -ATOM 1945 CF7 BOT 1 2 6.754 24.814 0.000 0.00 1.00 -ATOM 1946 CF8 BOT 1 2 6.754 24.814 3.350 0.00 1.00 -ATOM 1947 CF9 BOT 1 2 6.754 24.814 6.700 0.00 1.00 -ATOM 1948 CFA BOT 1 2 5.526 26.941 0.000 0.00 1.00 -ATOM 1949 CFB BOT 1 2 5.526 26.941 3.350 0.00 1.00 -ATOM 1950 CFC BOT 1 2 5.526 26.941 6.700 0.00 1.00 -ATOM 1951 CFD BOT 1 2 4.298 29.068 0.000 0.00 1.00 -ATOM 1952 CFE BOT 1 2 4.298 29.068 3.350 0.00 1.00 -ATOM 1953 CFF BOT 1 2 4.298 29.068 6.700 0.00 1.00 -ATOM 1954 CFG BOT 1 2 3.070 1.418 0.000 0.00 1.00 -ATOM 1955 CFH BOT 1 2 3.070 1.418 3.350 0.00 1.00 -ATOM 1956 CFI BOT 1 2 3.070 1.418 6.700 0.00 1.00 -ATOM 1957 CFJ BOT 1 2 1.842 3.545 0.000 0.00 1.00 -ATOM 1958 CFK BOT 1 2 1.842 3.545 3.350 0.00 1.00 -ATOM 1959 CFL BOT 1 2 1.842 3.545 6.700 0.00 1.00 -ATOM 1960 CFM BOT 1 2 0.614 5.672 0.000 0.00 1.00 -ATOM 1961 CFN BOT 1 2 0.614 5.672 3.350 0.00 1.00 -ATOM 1962 CFO BOT 1 2 0.614 5.672 6.700 0.00 1.00 -ATOM 1963 CFP BOT 1 2 28.858 7.799 0.000 0.00 1.00 -ATOM 1964 CFQ BOT 1 2 28.858 7.799 3.350 0.00 1.00 -ATOM 1965 CFR BOT 1 2 28.858 7.799 6.700 0.00 1.00 -ATOM 1966 CFS BOT 1 2 27.630 9.926 0.000 0.00 1.00 -ATOM 1967 CFT BOT 1 2 27.630 9.926 3.350 0.00 1.00 -ATOM 1968 CFU BOT 1 2 27.630 9.926 6.700 0.00 1.00 -ATOM 1969 CFV BOT 1 2 26.402 12.053 0.000 0.00 1.00 -ATOM 1970 CFW BOT 1 2 26.402 12.053 3.350 0.00 1.00 -ATOM 1971 CFX BOT 1 2 26.402 12.053 6.700 0.00 1.00 -ATOM 1972 CFY BOT 1 2 25.174 14.180 0.000 0.00 1.00 -ATOM 1973 CFZ BOT 1 2 25.174 14.180 3.350 0.00 1.00 -ATOM 1974 CFa BOT 1 2 25.174 14.180 6.700 0.00 1.00 -ATOM 1975 CFb BOT 1 2 14.122 16.306 0.000 0.00 1.00 -ATOM 1976 CFc BOT 1 2 14.122 16.306 3.350 0.00 1.00 -ATOM 1977 CFd BOT 1 2 14.122 16.306 6.700 0.00 1.00 -ATOM 1978 CFe BOT 1 2 12.894 18.433 0.000 0.00 1.00 -ATOM 1979 CFf BOT 1 2 12.894 18.433 3.350 0.00 1.00 -ATOM 1980 CFg BOT 1 2 12.894 18.433 6.700 0.00 1.00 -ATOM 1981 CFh BOT 1 2 11.666 20.560 0.000 0.00 1.00 -ATOM 1982 CFi BOT 1 2 11.666 20.560 3.350 0.00 1.00 -ATOM 1983 CFj BOT 1 2 11.666 20.560 6.700 0.00 1.00 -ATOM 1984 CFk BOT 1 2 10.438 22.687 0.000 0.00 1.00 -ATOM 1985 CFl BOT 1 2 10.438 22.687 3.350 0.00 1.00 -ATOM 1986 CFm BOT 1 2 10.438 22.687 6.700 0.00 1.00 -ATOM 1987 CFn BOT 1 2 9.210 24.814 0.000 0.00 1.00 -ATOM 1988 CFo BOT 1 2 9.210 24.814 3.350 0.00 1.00 -ATOM 1989 CFp BOT 1 2 9.210 24.814 6.700 0.00 1.00 -ATOM 1990 CFq BOT 1 2 7.982 26.941 0.000 0.00 1.00 -ATOM 1991 CFr BOT 1 2 7.982 26.941 3.350 0.00 1.00 -ATOM 1992 CFs BOT 1 2 7.982 26.941 6.700 0.00 1.00 -ATOM 1993 CFt BOT 1 2 6.754 29.068 0.000 0.00 1.00 -ATOM 1994 CFu BOT 1 2 6.754 29.068 3.350 0.00 1.00 -ATOM 1995 CFv BOT 1 2 6.754 29.068 6.700 0.00 1.00 -ATOM 1996 CFw BOT 1 2 5.526 1.418 0.000 0.00 1.00 -ATOM 1997 CFx BOT 1 2 5.526 1.418 3.350 0.00 1.00 -ATOM 1998 CFy BOT 1 2 5.526 1.418 6.700 0.00 1.00 -ATOM 1999 CFz BOT 1 2 4.298 3.545 0.000 0.00 1.00 -ATOM 2000 CG0 BOT 1 2 4.298 3.545 3.350 0.00 1.00 -ATOM 2001 CG1 BOT 1 2 4.298 3.545 6.700 0.00 1.00 -ATOM 2002 CG2 BOT 1 2 3.070 5.672 0.000 0.00 1.00 -ATOM 2003 CG3 BOT 1 2 3.070 5.672 3.350 0.00 1.00 -ATOM 2004 CG4 BOT 1 2 3.070 5.672 6.700 0.00 1.00 -ATOM 2005 CG5 BOT 1 2 1.842 7.799 0.000 0.00 1.00 -ATOM 2006 CG6 BOT 1 2 1.842 7.799 3.350 0.00 1.00 -ATOM 2007 CG7 BOT 1 2 1.842 7.799 6.700 0.00 1.00 -ATOM 2008 CG8 BOT 1 2 0.614 9.926 0.000 0.00 1.00 -ATOM 2009 CG9 BOT 1 2 0.614 9.926 3.350 0.00 1.00 -ATOM 2010 CGA BOT 1 2 0.614 9.926 6.700 0.00 1.00 -ATOM 2011 CGB BOT 1 2 28.858 12.053 0.000 0.00 1.00 -ATOM 2012 CGC BOT 1 2 28.858 12.053 3.350 0.00 1.00 -ATOM 2013 CGD BOT 1 2 28.858 12.053 6.700 0.00 1.00 -ATOM 2014 CGE BOT 1 2 27.630 14.180 0.000 0.00 1.00 -ATOM 2015 CGF BOT 1 2 27.630 14.180 3.350 0.00 1.00 -ATOM 2016 CGG BOT 1 2 27.630 14.180 6.700 0.00 1.00 -ATOM 2017 O1 H2O 1 3 22.844 10.565 23.681 0.00 0.00 -ATOM 2018 H1 H2O 1 3 23.535 11.277 23.813 0.00 0.00 -ATOM 2019 H2 H2O 1 3 22.235 10.542 24.474 0.00 0.00 -ATOM 2020 O1 H2O 2 4 27.001 27.681 19.735 0.00 0.00 -ATOM 2021 H1 H2O 2 4 26.612 28.600 19.663 0.00 0.00 -ATOM 2022 H2 H2O 2 4 26.782 27.296 20.631 0.00 0.00 -ATOM 2023 O1 H2O 3 5 10.875 17.926 22.612 0.00 0.00 -ATOM 2024 H1 H2O 3 5 10.914 18.314 21.691 0.00 0.00 -ATOM 2025 H2 H2O 3 5 9.920 17.802 22.882 0.00 0.00 -ATOM 2026 O1 H2O 4 6 28.964 25.931 23.661 0.00 0.00 -ATOM 2027 H1 H2O 4 6 29.043 26.306 24.585 0.00 0.00 -ATOM 2028 H2 H2O 4 6 29.291 24.986 23.656 0.00 0.00 -ATOM 2029 O1 H2O 5 7 17.298 23.499 19.738 0.00 0.00 -ATOM 2030 H1 H2O 5 7 17.774 22.635 19.902 0.00 0.00 -ATOM 2031 H2 H2O 5 7 17.384 23.749 18.774 0.00 0.00 -ATOM 2032 O1 H2O 6 8 14.102 14.036 20.700 0.00 0.00 -ATOM 2033 H1 H2O 6 8 14.412 14.041 21.650 0.00 0.00 -ATOM 2034 H2 H2O 6 8 13.237 14.533 20.629 0.00 0.00 -ATOM 2035 O1 H2O 7 9 25.368 5.663 22.832 0.00 0.00 -ATOM 2036 H1 H2O 7 9 25.949 6.456 23.012 0.00 0.00 -ATOM 2037 H2 H2O 7 9 24.470 5.805 23.250 0.00 0.00 -ATOM 2038 O1 H2O 8 10 22.292 22.344 23.245 0.00 0.00 -ATOM 2039 H1 H2O 8 10 23.259 22.142 23.400 0.00 0.00 -ATOM 2040 H2 H2O 8 10 21.848 21.551 22.829 0.00 0.00 -ATOM 2041 O1 H2O 9 11 27.784 10.126 23.155 0.00 0.00 -ATOM 2042 H1 H2O 9 11 26.853 9.916 23.453 0.00 0.00 -ATOM 2043 H2 H2O 9 11 27.958 11.105 23.268 0.00 0.00 -ATOM 2044 O1 H2O 0 12 11.136 20.427 23.598 0.00 0.00 -ATOM 2045 H1 H2O 0 12 10.643 21.181 23.164 0.00 0.00 -ATOM 2046 H2 H2O 0 12 10.582 19.596 23.549 0.00 0.00 -ATOM 2047 O1 H2O 1 13 13.634 28.414 21.171 0.00 0.00 -ATOM 2048 H1 H2O 1 13 12.847 28.927 20.830 0.00 0.00 -ATOM 2049 H2 H2O 1 13 14.478 28.872 20.892 0.00 0.00 -ATOM 2050 O1 H2O 2 14 9.972 2.204 23.486 0.00 0.00 -ATOM 2051 H1 H2O 2 14 10.814 2.502 23.038 0.00 0.00 -ATOM 2052 H2 H2O 2 14 9.315 2.957 23.496 0.00 0.00 -ATOM 2053 O1 H2O 3 15 0.110 20.336 20.042 0.00 0.00 -ATOM 2054 H1 H2O 3 15 1.075 20.503 19.837 0.00 0.00 -ATOM 2055 H2 H2O 3 15 -0.067 19.352 20.033 0.00 0.00 -ATOM 2056 O1 H2O 4 16 27.363 7.279 23.651 0.00 0.00 -ATOM 2057 H1 H2O 4 16 28.230 7.734 23.852 0.00 0.00 -ATOM 2058 H2 H2O 4 16 26.610 7.813 24.035 0.00 0.00 -ATOM 2059 O1 H2O 5 17 18.471 25.730 23.008 0.00 0.00 -ATOM 2060 H1 H2O 5 17 19.374 25.309 23.094 0.00 0.00 -ATOM 2061 H2 H2O 5 17 17.765 25.038 23.160 0.00 0.00 -ATOM 2062 O1 H2O 6 18 0.610 7.901 20.792 0.00 0.00 -ATOM 2063 H1 H2O 6 18 1.141 8.284 21.549 0.00 0.00 -ATOM 2064 H2 H2O 6 18 -0.165 8.500 20.593 0.00 0.00 -ATOM 2065 O1 H2O 7 19 13.583 17.409 23.535 0.00 0.00 -ATOM 2066 H1 H2O 7 19 13.949 18.330 23.671 0.00 0.00 -ATOM 2067 H2 H2O 7 19 12.628 17.470 23.244 0.00 0.00 -ATOM 2068 O1 H2O 8 20 28.300 2.011 23.880 0.00 0.00 -ATOM 2069 H1 H2O 8 20 27.896 1.750 24.757 0.00 0.00 -ATOM 2070 H2 H2O 8 20 28.127 2.981 23.710 0.00 0.00 -ATOM 2071 O1 H2O 9 21 18.749 3.756 22.935 0.00 0.00 -ATOM 2072 H1 H2O 9 21 19.726 3.953 22.857 0.00 0.00 -ATOM 2073 H2 H2O 9 21 18.613 2.769 23.016 0.00 0.00 -ATOM 2074 O1 H2O 0 22 24.040 22.392 20.005 0.00 0.00 -ATOM 2075 H1 H2O 0 22 23.046 22.462 19.922 0.00 0.00 -ATOM 2076 H2 H2O 0 22 24.451 23.290 19.849 0.00 0.00 -ATOM 2077 O1 H2O 1 23 28.247 15.774 23.447 0.00 0.00 -ATOM 2078 H1 H2O 1 23 28.960 16.463 23.313 0.00 0.00 -ATOM 2079 H2 H2O 1 23 27.355 16.223 23.494 0.00 0.00 -ATOM 2080 O1 H2O 2 24 2.646 10.666 23.639 0.00 0.00 -ATOM 2081 H1 H2O 2 24 2.097 11.244 23.035 0.00 0.00 -ATOM 2082 H2 H2O 2 24 2.557 10.988 24.581 0.00 0.00 -ATOM 2083 O1 H2O 3 25 12.601 2.916 22.481 0.00 0.00 -ATOM 2084 H1 H2O 3 25 13.247 3.601 22.816 0.00 0.00 -ATOM 2085 H2 H2O 3 25 12.838 2.664 21.543 0.00 0.00 -ATOM 2086 O1 H2O 4 26 27.295 24.762 19.799 0.00 0.00 -ATOM 2087 H1 H2O 4 26 26.300 24.659 19.809 0.00 0.00 -ATOM 2088 H2 H2O 4 26 27.530 25.721 19.641 0.00 0.00 -ATOM 2089 O1 H2O 5 27 7.673 1.825 21.241 0.00 0.00 -ATOM 2090 H1 H2O 5 27 8.618 2.097 21.059 0.00 0.00 -ATOM 2091 H2 H2O 5 27 7.617 1.398 22.144 0.00 0.00 -ATOM 2092 O1 H2O 6 28 3.276 3.723 19.794 0.00 0.00 -ATOM 2093 H1 H2O 6 28 2.955 3.780 18.849 0.00 0.00 -ATOM 2094 H2 H2O 6 28 3.943 2.983 19.876 0.00 0.00 -ATOM 2095 O1 H2O 7 29 19.936 18.551 20.189 0.00 0.00 -ATOM 2096 H1 H2O 7 29 20.550 18.979 19.525 0.00 0.00 -ATOM 2097 H2 H2O 7 29 19.011 18.912 20.069 0.00 0.00 -ATOM 2098 O1 H2O 8 30 15.369 0.425 20.544 0.00 0.00 -ATOM 2099 H1 H2O 8 30 14.537 0.701 20.063 0.00 0.00 -ATOM 2100 H2 H2O 8 30 15.615 1.126 21.214 0.00 0.00 -ATOM 2101 O1 H2O 9 31 3.864 8.315 19.817 0.00 0.00 -ATOM 2102 H1 H2O 9 31 4.254 7.481 19.426 0.00 0.00 -ATOM 2103 H2 H2O 9 31 3.438 8.103 20.696 0.00 0.00 -ATOM 2104 O1 H2O 0 32 29.409 17.519 19.838 0.00 0.00 -ATOM 2105 H1 H2O 0 32 28.449 17.749 19.995 0.00 0.00 -ATOM 2106 H2 H2O 0 32 29.503 16.529 19.732 0.00 0.00 -ATOM 2107 O1 H2O 1 33 18.536 5.562 19.748 0.00 0.00 -ATOM 2108 H1 H2O 1 33 18.081 4.676 19.660 0.00 0.00 -ATOM 2109 H2 H2O 1 33 17.865 6.295 19.636 0.00 0.00 -ATOM 2110 O1 H2O 2 34 26.230 0.485 19.714 0.00 0.00 -ATOM 2111 H1 H2O 2 34 25.660 1.286 19.532 0.00 0.00 -ATOM 2112 H2 H2O 2 34 27.148 0.782 19.975 0.00 0.00 -ATOM 2113 O1 H2O 3 35 21.518 8.479 22.722 0.00 0.00 -ATOM 2114 H1 H2O 3 35 22.085 9.278 22.921 0.00 0.00 -ATOM 2115 H2 H2O 3 35 21.964 7.657 23.076 0.00 0.00 -ATOM 2116 O1 H2O 4 36 12.705 14.850 23.350 0.00 0.00 -ATOM 2117 H1 H2O 4 36 13.161 15.709 23.583 0.00 0.00 -ATOM 2118 H2 H2O 4 36 13.375 14.108 23.339 0.00 0.00 -ATOM 2119 O1 H2O 5 37 21.751 4.484 20.326 0.00 0.00 -ATOM 2120 H1 H2O 5 37 22.209 3.823 19.732 0.00 0.00 -ATOM 2121 H2 H2O 5 37 20.865 4.728 19.931 0.00 0.00 -ATOM 2122 O1 H2O 6 38 16.293 15.752 22.417 0.00 0.00 -ATOM 2123 H1 H2O 6 38 15.879 16.232 23.191 0.00 0.00 -ATOM 2124 H2 H2O 6 38 16.003 16.185 21.564 0.00 0.00 -ATOM 2125 O1 H2O 7 39 9.395 24.951 21.365 0.00 0.00 -ATOM 2126 H1 H2O 7 39 9.172 24.338 20.607 0.00 0.00 -ATOM 2127 H2 H2O 7 39 8.735 25.702 21.393 0.00 0.00 -ATOM 2128 O1 H2O 8 40 8.869 7.733 20.338 0.00 0.00 -ATOM 2129 H1 H2O 8 40 9.837 7.971 20.252 0.00 0.00 -ATOM 2130 H2 H2O 8 40 8.661 6.959 19.740 0.00 0.00 -ATOM 2131 O1 H2O 9 41 27.817 12.732 23.199 0.00 0.00 -ATOM 2132 H1 H2O 9 41 28.577 13.296 23.524 0.00 0.00 -ATOM 2133 H2 H2O 9 41 27.360 13.195 22.439 0.00 0.00 -ATOM 2134 O1 H2O 0 42 24.082 0.526 22.518 0.00 0.00 -ATOM 2135 H1 H2O 0 42 24.749 -0.186 22.301 0.00 0.00 -ATOM 2136 H2 H2O 0 42 24.556 1.327 22.884 0.00 0.00 -ATOM 2137 O1 H2O 1 43 19.007 22.366 23.063 0.00 0.00 -ATOM 2138 H1 H2O 1 43 19.753 23.007 23.245 0.00 0.00 -ATOM 2139 H2 H2O 1 43 19.122 21.551 23.631 0.00 0.00 -ATOM 2140 O1 H2O 2 44 28.677 5.785 19.628 0.00 0.00 -ATOM 2141 H1 H2O 2 44 29.075 6.608 20.035 0.00 0.00 -ATOM 2142 H2 H2O 2 44 27.710 5.945 19.431 0.00 0.00 -ATOM 2143 O1 H2O 3 45 4.464 19.058 23.298 0.00 0.00 -ATOM 2144 H1 H2O 3 45 3.680 19.495 22.857 0.00 0.00 -ATOM 2145 H2 H2O 3 45 4.286 18.079 23.400 0.00 0.00 -ATOM 2146 O1 H2O 4 46 20.254 27.596 19.851 0.00 0.00 -ATOM 2147 H1 H2O 4 46 20.780 28.038 19.124 0.00 0.00 -ATOM 2148 H2 H2O 4 46 19.321 27.955 19.853 0.00 0.00 -ATOM 2149 O1 H2O 5 47 29.119 20.571 22.887 0.00 0.00 -ATOM 2150 H1 H2O 5 47 28.919 20.669 21.912 0.00 0.00 -ATOM 2151 H2 H2O 5 47 28.285 20.313 23.374 0.00 0.00 -ATOM 2152 O1 H2O 6 48 5.518 7.240 22.869 0.00 0.00 -ATOM 2153 H1 H2O 6 48 5.893 7.987 22.321 0.00 0.00 -ATOM 2154 H2 H2O 6 48 6.206 6.930 23.525 0.00 0.00 -ATOM 2155 O1 H2O 7 49 24.995 19.698 19.745 0.00 0.00 -ATOM 2156 H1 H2O 7 49 24.339 19.185 20.299 0.00 0.00 -ATOM 2157 H2 H2O 7 49 24.715 20.657 19.701 0.00 0.00 -ATOM 2158 O1 H2O 8 50 12.506 26.894 23.088 0.00 0.00 -ATOM 2159 H1 H2O 8 50 12.933 27.001 22.190 0.00 0.00 -ATOM 2160 H2 H2O 8 50 12.223 27.790 23.432 0.00 0.00 -ATOM 2161 O1 H2O 9 51 13.650 7.150 22.654 0.00 0.00 -ATOM 2162 H1 H2O 9 51 13.699 7.805 21.900 0.00 0.00 -ATOM 2163 H2 H2O 9 51 12.735 7.174 23.057 0.00 0.00 -ATOM 2164 O1 H2O 0 52 26.581 19.620 23.742 0.00 0.00 -ATOM 2165 H1 H2O 0 52 25.870 20.206 23.352 0.00 0.00 -ATOM 2166 H2 H2O 0 52 26.796 19.929 24.669 0.00 0.00 -ATOM 2167 O1 H2O 1 53 18.597 19.749 23.661 0.00 0.00 -ATOM 2168 H1 H2O 1 53 19.314 19.060 23.560 0.00 0.00 -ATOM 2169 H2 H2O 1 53 17.769 19.439 23.194 0.00 0.00 -ATOM 2170 O1 H2O 2 54 0.409 8.796 23.781 0.00 0.00 -ATOM 2171 H1 H2O 2 54 1.186 9.403 23.951 0.00 0.00 -ATOM 2172 H2 H2O 2 54 -0.365 9.332 23.445 0.00 0.00 -ATOM 2173 O1 H2O 3 55 11.272 10.488 23.362 0.00 0.00 -ATOM 2174 H1 H2O 3 55 11.587 10.462 22.413 0.00 0.00 -ATOM 2175 H2 H2O 3 55 12.062 10.525 23.974 0.00 0.00 -ATOM 2176 O1 H2O 4 56 2.148 0.617 20.218 0.00 0.00 -ATOM 2177 H1 H2O 4 56 1.982 1.147 21.050 0.00 0.00 -ATOM 2178 H2 H2O 4 56 3.124 0.636 20.000 0.00 0.00 -ATOM 2179 O1 H2O 5 57 14.572 23.512 20.909 0.00 0.00 -ATOM 2180 H1 H2O 5 57 15.564 23.481 20.781 0.00 0.00 -ATOM 2181 H2 H2O 5 57 14.217 24.376 20.553 0.00 0.00 -ATOM 2182 O1 H2O 6 58 16.397 23.850 23.178 0.00 0.00 -ATOM 2183 H1 H2O 6 58 16.982 23.080 23.433 0.00 0.00 -ATOM 2184 H2 H2O 6 58 15.448 23.637 23.409 0.00 0.00 -ATOM 2185 O1 H2O 7 59 26.893 18.031 20.052 0.00 0.00 -ATOM 2186 H1 H2O 7 59 26.492 17.454 20.763 0.00 0.00 -ATOM 2187 H2 H2O 7 59 26.186 18.626 19.668 0.00 0.00 -ATOM 2188 O1 H2O 8 60 21.079 10.789 19.826 0.00 0.00 -ATOM 2189 H1 H2O 8 60 21.296 11.297 18.993 0.00 0.00 -ATOM 2190 H2 H2O 8 60 21.381 9.841 19.727 0.00 0.00 -ATOM 2191 O1 H2O 9 61 5.075 1.267 23.446 0.00 0.00 -ATOM 2192 H1 H2O 9 61 5.988 1.007 23.762 0.00 0.00 -ATOM 2193 H2 H2O 9 61 4.471 0.470 23.480 0.00 0.00 -ATOM 2194 O1 H2O 0 62 1.417 14.428 23.608 0.00 0.00 -ATOM 2195 H1 H2O 0 62 1.260 15.361 23.933 0.00 0.00 -ATOM 2196 H2 H2O 0 62 2.399 14.243 23.585 0.00 0.00 -ATOM 2197 O1 H2O 1 63 25.186 9.117 23.420 0.00 0.00 -ATOM 2198 H1 H2O 1 63 24.603 9.785 23.881 0.00 0.00 -ATOM 2199 H2 H2O 1 63 25.075 9.203 22.430 0.00 0.00 -ATOM 2200 O1 H2O 2 64 18.919 21.477 20.465 0.00 0.00 -ATOM 2201 H1 H2O 2 64 19.066 21.655 21.438 0.00 0.00 -ATOM 2202 H2 H2O 2 64 18.206 20.784 20.357 0.00 0.00 -ATOM 2203 O1 H2O 3 65 21.412 22.462 19.833 0.00 0.00 -ATOM 2204 H1 H2O 3 65 21.305 23.437 20.025 0.00 0.00 -ATOM 2205 H2 H2O 3 65 20.533 22.000 19.953 0.00 0.00 -ATOM 2206 O1 H2O 4 66 1.000 17.283 23.150 0.00 0.00 -ATOM 2207 H1 H2O 4 66 1.389 18.023 23.699 0.00 0.00 -ATOM 2208 H2 H2O 4 66 1.642 17.032 22.426 0.00 0.00 -ATOM 2209 O1 H2O 5 67 3.695 28.834 23.780 0.00 0.00 -ATOM 2210 H1 H2O 5 67 4.317 28.126 24.113 0.00 0.00 -ATOM 2211 H2 H2O 5 67 2.815 28.420 23.544 0.00 0.00 -ATOM 2212 O1 H2O 6 68 16.007 29.141 23.878 0.00 0.00 -ATOM 2213 H1 H2O 6 68 15.751 28.179 23.773 0.00 0.00 -ATOM 2214 H2 H2O 6 68 15.205 29.670 24.156 0.00 0.00 -ATOM 2215 O1 H2O 7 69 24.930 8.941 20.509 0.00 0.00 -ATOM 2216 H1 H2O 7 69 24.000 8.667 20.266 0.00 0.00 -ATOM 2217 H2 H2O 7 69 25.026 9.930 20.400 0.00 0.00 -ATOM 2218 O1 H2O 8 70 14.163 10.427 23.761 0.00 0.00 -ATOM 2219 H1 H2O 8 70 14.711 10.180 22.963 0.00 0.00 -ATOM 2220 H2 H2O 8 70 13.956 9.604 24.291 0.00 0.00 -ATOM 2221 O1 H2O 9 71 19.610 10.562 23.112 0.00 0.00 -ATOM 2222 H1 H2O 9 71 19.965 11.494 23.042 0.00 0.00 -ATOM 2223 H2 H2O 9 71 20.268 9.924 22.713 0.00 0.00 -ATOM 2224 O1 H2O 0 72 2.560 18.225 19.825 0.00 0.00 -ATOM 2225 H1 H2O 0 72 2.779 19.184 20.008 0.00 0.00 -ATOM 2226 H2 H2O 0 72 1.569 18.119 19.744 0.00 0.00 -ATOM 2227 O1 H2O 1 73 11.135 29.377 23.530 0.00 0.00 -ATOM 2228 H1 H2O 1 73 10.821 30.286 23.255 0.00 0.00 -ATOM 2229 H2 H2O 1 73 10.345 28.779 23.667 0.00 0.00 -ATOM 2230 O1 H2O 2 74 23.630 27.827 20.130 0.00 0.00 -ATOM 2231 H1 H2O 2 74 23.660 27.671 21.117 0.00 0.00 -ATOM 2232 H2 H2O 2 74 23.097 28.652 19.938 0.00 0.00 -ATOM 2233 O1 H2O 3 75 20.395 17.704 22.971 0.00 0.00 -ATOM 2234 H1 H2O 3 75 20.440 16.772 23.331 0.00 0.00 -ATOM 2235 H2 H2O 3 75 20.211 17.673 21.988 0.00 0.00 -ATOM 2236 O1 H2O 4 76 23.006 13.117 21.066 0.00 0.00 -ATOM 2237 H1 H2O 4 76 22.332 12.381 21.000 0.00 0.00 -ATOM 2238 H2 H2O 4 76 22.734 13.754 21.787 0.00 0.00 -ATOM 2239 O1 H2O 5 77 9.758 12.404 20.787 0.00 0.00 -ATOM 2240 H1 H2O 5 77 10.167 13.054 21.428 0.00 0.00 -ATOM 2241 H2 H2O 5 77 10.413 11.673 20.591 0.00 0.00 -ATOM 2242 O1 H2O 6 78 27.602 21.885 20.634 0.00 0.00 -ATOM 2243 H1 H2O 6 78 27.642 22.661 20.005 0.00 0.00 -ATOM 2244 H2 H2O 6 78 28.329 21.236 20.411 0.00 0.00 -ATOM 2245 O1 H2O 7 79 8.393 4.645 22.876 0.00 0.00 -ATOM 2246 H1 H2O 7 79 7.541 4.172 23.099 0.00 0.00 -ATOM 2247 H2 H2O 7 79 8.324 5.603 23.154 0.00 0.00 -ATOM 2248 O1 H2O 8 80 6.738 23.472 23.347 0.00 0.00 -ATOM 2249 H1 H2O 8 80 5.744 23.365 23.353 0.00 0.00 -ATOM 2250 H2 H2O 8 80 7.165 22.645 23.711 0.00 0.00 -ATOM 2251 O1 H2O 9 81 27.876 0.100 22.167 0.00 0.00 -ATOM 2252 H1 H2O 9 81 28.170 0.036 21.213 0.00 0.00 -ATOM 2253 H2 H2O 9 81 27.946 1.049 22.474 0.00 0.00 -ATOM 2254 O1 H2O 0 82 23.631 27.339 22.766 0.00 0.00 -ATOM 2255 H1 H2O 0 82 24.158 27.931 23.375 0.00 0.00 -ATOM 2256 H2 H2O 0 82 22.670 27.615 22.781 0.00 0.00 -ATOM 2257 O1 H2O 1 83 17.249 9.078 19.799 0.00 0.00 -ATOM 2258 H1 H2O 1 83 16.686 9.745 20.289 0.00 0.00 -ATOM 2259 H2 H2O 1 83 17.953 8.722 20.413 0.00 0.00 -ATOM 2260 O1 H2O 2 84 0.484 23.999 20.218 0.00 0.00 -ATOM 2261 H1 H2O 2 84 -0.378 24.397 19.903 0.00 0.00 -ATOM 2262 H2 H2O 2 84 0.318 23.458 21.043 0.00 0.00 -ATOM 2263 O1 H2O 3 85 27.960 2.720 20.196 0.00 0.00 -ATOM 2264 H1 H2O 3 85 27.634 3.528 19.704 0.00 0.00 -ATOM 2265 H2 H2O 3 85 28.908 2.863 20.480 0.00 0.00 -ATOM 2266 O1 H2O 4 86 9.995 2.507 19.853 0.00 0.00 -ATOM 2267 H1 H2O 4 86 10.065 3.505 19.843 0.00 0.00 -ATOM 2268 H2 H2O 4 86 9.570 2.194 19.003 0.00 0.00 -ATOM 2269 O1 H2O 5 87 29.119 29.444 19.646 0.00 0.00 -ATOM 2270 H1 H2O 5 87 28.762 28.530 19.455 0.00 0.00 -ATOM 2271 H2 H2O 5 87 30.117 29.431 19.589 0.00 0.00 -ATOM 2272 O1 H2O 6 88 18.915 14.904 22.828 0.00 0.00 -ATOM 2273 H1 H2O 6 88 19.435 15.161 22.014 0.00 0.00 -ATOM 2274 H2 H2O 6 88 17.974 15.230 22.740 0.00 0.00 -ATOM 2275 O1 H2O 7 89 22.613 15.513 20.019 0.00 0.00 -ATOM 2276 H1 H2O 7 89 21.701 15.607 19.619 0.00 0.00 -ATOM 2277 H2 H2O 7 89 22.792 14.550 20.219 0.00 0.00 -ATOM 2278 O1 H2O 8 90 6.746 12.612 20.532 0.00 0.00 -ATOM 2279 H1 H2O 8 90 6.175 11.880 20.162 0.00 0.00 -ATOM 2280 H2 H2O 8 90 7.707 12.338 20.492 0.00 0.00 -ATOM 2281 O1 H2O 9 91 7.455 20.350 20.443 0.00 0.00 -ATOM 2282 H1 H2O 9 91 7.779 19.455 20.139 0.00 0.00 -ATOM 2283 H2 H2O 9 91 6.539 20.258 20.834 0.00 0.00 -ATOM 2284 O1 H2O 0 92 0.302 14.716 19.736 0.00 0.00 -ATOM 2285 H1 H2O 0 92 -0.394 14.740 20.454 0.00 0.00 -ATOM 2286 H2 H2O 0 92 0.410 13.777 19.408 0.00 0.00 -ATOM 2287 O1 H2O 1 93 7.858 22.796 19.703 0.00 0.00 -ATOM 2288 H1 H2O 1 93 7.501 21.904 19.978 0.00 0.00 -ATOM 2289 H2 H2O 1 93 7.999 22.808 18.713 0.00 0.00 -ATOM 2290 O1 H2O 2 94 25.082 11.480 20.383 0.00 0.00 -ATOM 2291 H1 H2O 2 94 24.228 12.000 20.390 0.00 0.00 -ATOM 2292 H2 H2O 2 94 25.857 12.111 20.413 0.00 0.00 -ATOM 2293 O1 H2O 3 95 25.116 12.145 23.440 0.00 0.00 -ATOM 2294 H1 H2O 3 95 24.949 12.126 22.454 0.00 0.00 -ATOM 2295 H2 H2O 3 95 26.097 12.238 23.610 0.00 0.00 -ATOM 2296 O1 H2O 4 96 5.380 18.432 20.394 0.00 0.00 -ATOM 2297 H1 H2O 4 96 5.214 18.285 21.369 0.00 0.00 -ATOM 2298 H2 H2O 4 96 4.512 18.398 19.899 0.00 0.00 -ATOM 2299 O1 H2O 5 97 8.423 17.745 19.875 0.00 0.00 -ATOM 2300 H1 H2O 5 97 8.782 16.892 20.254 0.00 0.00 -ATOM 2301 H2 H2O 5 97 7.499 17.591 19.525 0.00 0.00 -ATOM 2302 O1 H2O 6 98 7.461 28.856 20.250 0.00 0.00 -ATOM 2303 H1 H2O 6 98 7.562 29.715 20.752 0.00 0.00 -ATOM 2304 H2 H2O 6 98 6.913 29.012 19.428 0.00 0.00 -ATOM 2305 O1 H2O 7 99 20.882 24.672 22.853 0.00 0.00 -ATOM 2306 H1 H2O 7 99 21.128 24.962 21.928 0.00 0.00 -ATOM 2307 H2 H2O 7 99 21.539 23.991 23.175 0.00 0.00 -ATOM 2308 O1 H2O 8 100 14.736 13.036 23.260 0.00 0.00 -ATOM 2309 H1 H2O 8 100 15.628 13.073 23.710 0.00 0.00 -ATOM 2310 H2 H2O 8 100 14.306 12.152 23.444 0.00 0.00 -ATOM 2311 O1 H2O 9 101 22.684 6.331 23.875 0.00 0.00 -ATOM 2312 H1 H2O 9 101 22.304 5.563 23.359 0.00 0.00 -ATOM 2313 H2 H2O 9 101 22.761 6.079 24.839 0.00 0.00 -ATOM 2314 O1 H2O 0 102 11.701 7.765 20.206 0.00 0.00 -ATOM 2315 H1 H2O 0 102 12.645 8.005 19.980 0.00 0.00 -ATOM 2316 H2 H2O 0 102 11.647 6.789 20.418 0.00 0.00 -ATOM 2317 O1 H2O 1 103 5.156 22.726 20.893 0.00 0.00 -ATOM 2318 H1 H2O 1 103 5.960 23.133 20.458 0.00 0.00 -ATOM 2319 H2 H2O 1 103 4.364 22.828 20.292 0.00 0.00 -ATOM 2320 O1 H2O 2 104 9.144 27.819 23.889 0.00 0.00 -ATOM 2321 H1 H2O 2 104 8.672 27.249 23.217 0.00 0.00 -ATOM 2322 H2 H2O 2 104 9.334 27.278 24.709 0.00 0.00 -ATOM 2323 O1 H2O 3 105 23.390 17.925 21.057 0.00 0.00 -ATOM 2324 H1 H2O 3 105 23.194 17.634 21.993 0.00 0.00 -ATOM 2325 H2 H2O 3 105 23.224 17.164 20.429 0.00 0.00 -ATOM 2326 O1 H2O 4 106 12.934 21.232 20.438 0.00 0.00 -ATOM 2327 H1 H2O 4 106 13.522 22.017 20.637 0.00 0.00 -ATOM 2328 H2 H2O 4 106 13.496 20.410 20.346 0.00 0.00 -ATOM 2329 O1 H2O 5 107 1.210 12.320 21.919 0.00 0.00 -ATOM 2330 H1 H2O 5 107 0.976 13.069 22.539 0.00 0.00 -ATOM 2331 H2 H2O 5 107 0.474 12.196 21.254 0.00 0.00 -ATOM 2332 O1 H2O 6 108 17.538 14.345 20.109 0.00 0.00 -ATOM 2333 H1 H2O 6 108 17.990 13.456 20.038 0.00 0.00 -ATOM 2334 H2 H2O 6 108 16.823 14.301 20.807 0.00 0.00 -ATOM 2335 O1 H2O 7 109 7.496 4.488 20.111 0.00 0.00 -ATOM 2336 H1 H2O 7 109 7.644 4.424 21.098 0.00 0.00 -ATOM 2337 H2 H2O 7 109 7.788 3.637 19.675 0.00 0.00 -ATOM 2338 O1 H2O 8 110 17.409 12.660 23.805 0.00 0.00 -ATOM 2339 H1 H2O 8 110 17.891 13.501 23.562 0.00 0.00 -ATOM 2340 H2 H2O 8 110 17.931 12.165 24.500 0.00 0.00 -ATOM 2341 O1 H2O 9 111 21.727 1.437 23.779 0.00 0.00 -ATOM 2342 H1 H2O 9 111 21.940 1.258 24.740 0.00 0.00 -ATOM 2343 H2 H2O 9 111 22.436 1.034 23.200 0.00 0.00 -ATOM 2344 O1 H2O 0 112 10.317 13.382 23.356 0.00 0.00 -ATOM 2345 H1 H2O 0 112 10.429 12.484 23.781 0.00 0.00 -ATOM 2346 H2 H2O 0 112 11.021 14.004 23.700 0.00 0.00 -ATOM 2347 O1 H2O 1 113 13.999 20.275 23.428 0.00 0.00 -ATOM 2348 H1 H2O 1 113 14.422 20.949 24.033 0.00 0.00 -ATOM 2349 H2 H2O 1 113 13.057 20.110 23.719 0.00 0.00 -ATOM 2350 O1 H2O 2 114 2.839 20.829 20.402 0.00 0.00 -ATOM 2351 H1 H2O 2 114 2.611 20.970 21.365 0.00 0.00 -ATOM 2352 H2 H2O 2 114 3.128 21.697 19.997 0.00 0.00 -ATOM 2353 O1 H2O 3 115 14.300 11.461 20.571 0.00 0.00 -ATOM 2354 H1 H2O 3 115 14.053 12.423 20.448 0.00 0.00 -ATOM 2355 H2 H2O 3 115 15.200 11.401 21.003 0.00 0.00 -ATOM 2356 O1 H2O 4 116 19.497 8.103 20.956 0.00 0.00 -ATOM 2357 H1 H2O 4 116 19.365 7.123 20.812 0.00 0.00 -ATOM 2358 H2 H2O 4 116 20.111 8.247 21.732 0.00 0.00 -ATOM 2359 O1 H2O 5 117 2.338 20.774 23.052 0.00 0.00 -ATOM 2360 H1 H2O 5 117 2.845 21.478 23.549 0.00 0.00 -ATOM 2361 H2 H2O 5 117 1.363 20.995 23.063 0.00 0.00 -ATOM 2362 O1 H2O 6 118 11.138 7.289 23.713 0.00 0.00 -ATOM 2363 H1 H2O 6 118 10.273 6.926 23.366 0.00 0.00 -ATOM 2364 H2 H2O 6 118 10.961 8.106 24.261 0.00 0.00 -ATOM 2365 O1 H2O 7 119 16.855 5.837 23.439 0.00 0.00 -ATOM 2366 H1 H2O 7 119 17.180 6.735 23.733 0.00 0.00 -ATOM 2367 H2 H2O 7 119 17.638 5.243 23.253 0.00 0.00 -ATOM 2368 O1 H2O 8 120 8.261 7.378 23.018 0.00 0.00 -ATOM 2369 H1 H2O 8 120 8.278 8.281 23.448 0.00 0.00 -ATOM 2370 H2 H2O 8 120 8.116 7.479 22.034 0.00 0.00 -ATOM 2371 O1 H2O 9 121 5.701 15.104 20.169 0.00 0.00 -ATOM 2372 H1 H2O 9 121 6.030 14.200 20.444 0.00 0.00 -ATOM 2373 H2 H2O 9 121 4.719 15.060 19.987 0.00 0.00 -ATOM 2374 O1 H2O 0 122 18.575 28.268 23.571 0.00 0.00 -ATOM 2375 H1 H2O 0 122 17.681 28.630 23.838 0.00 0.00 -ATOM 2376 H2 H2O 0 122 18.469 27.329 23.243 0.00 0.00 -ATOM 2377 O1 H2O 1 123 20.583 13.040 23.612 0.00 0.00 -ATOM 2378 H1 H2O 1 123 19.886 13.681 23.291 0.00 0.00 -ATOM 2379 H2 H2O 1 123 21.460 13.513 23.690 0.00 0.00 -ATOM 2380 O1 H2O 2 124 13.552 3.148 20.060 0.00 0.00 -ATOM 2381 H1 H2O 2 124 13.261 2.444 19.412 0.00 0.00 -ATOM 2382 H2 H2O 2 124 13.752 3.994 19.566 0.00 0.00 -ATOM 2383 O1 H2O 3 125 21.641 20.082 22.192 0.00 0.00 -ATOM 2384 H1 H2O 3 125 21.242 19.268 22.615 0.00 0.00 -ATOM 2385 H2 H2O 3 125 22.336 19.806 21.529 0.00 0.00 -ATOM 2386 O1 H2O 4 126 26.021 17.044 22.861 0.00 0.00 -ATOM 2387 H1 H2O 4 126 26.306 17.952 23.169 0.00 0.00 -ATOM 2388 H2 H2O 4 126 25.023 17.006 22.814 0.00 0.00 -ATOM 2389 O1 H2O 5 127 16.902 25.946 20.727 0.00 0.00 -ATOM 2390 H1 H2O 5 127 17.534 26.102 21.486 0.00 0.00 -ATOM 2391 H2 H2O 5 127 17.168 25.115 20.238 0.00 0.00 -ATOM 2392 O1 H2O 6 128 5.041 10.856 19.822 0.00 0.00 -ATOM 2393 H1 H2O 6 128 4.753 9.927 19.590 0.00 0.00 -ATOM 2394 H2 H2O 6 128 4.244 11.392 20.101 0.00 0.00 -ATOM 2395 O1 H2O 7 129 13.561 0.727 23.658 0.00 0.00 -ATOM 2396 H1 H2O 7 129 12.847 0.036 23.545 0.00 0.00 -ATOM 2397 H2 H2O 7 129 13.264 1.584 23.236 0.00 0.00 -ATOM 2398 O1 H2O 8 130 6.617 9.304 21.332 0.00 0.00 -ATOM 2399 H1 H2O 8 130 6.131 10.143 21.089 0.00 0.00 -ATOM 2400 H2 H2O 8 130 6.667 8.704 20.533 0.00 0.00 -ATOM 2401 O1 H2O 9 131 13.718 23.598 23.606 0.00 0.00 -ATOM 2402 H1 H2O 9 131 13.598 23.484 22.620 0.00 0.00 -ATOM 2403 H2 H2O 9 131 12.822 23.613 24.052 0.00 0.00 -ATOM 2404 O1 H2O 0 132 25.179 2.769 23.348 0.00 0.00 -ATOM 2405 H1 H2O 0 132 25.075 3.704 23.687 0.00 0.00 -ATOM 2406 H2 H2O 0 132 26.039 2.691 22.843 0.00 0.00 -ATOM 2407 O1 H2O 1 133 1.189 5.920 23.419 0.00 0.00 -ATOM 2408 H1 H2O 1 133 2.020 5.822 22.871 0.00 0.00 -ATOM 2409 H2 H2O 1 133 0.929 6.885 23.460 0.00 0.00 -ATOM 2410 O1 H2O 2 134 8.453 10.108 23.432 0.00 0.00 -ATOM 2411 H1 H2O 2 134 9.433 9.933 23.338 0.00 0.00 -ATOM 2412 H2 H2O 2 134 8.072 10.357 22.541 0.00 0.00 -ATOM 2413 O1 H2O 3 135 3.754 23.163 23.971 0.00 0.00 -ATOM 2414 H1 H2O 3 135 3.690 23.933 23.337 0.00 0.00 -ATOM 2415 H2 H2O 3 135 3.617 23.489 24.907 0.00 0.00 -ATOM 2416 O1 H2O 4 136 17.591 28.532 20.091 0.00 0.00 -ATOM 2417 H1 H2O 4 136 17.193 27.643 20.318 0.00 0.00 -ATOM 2418 H2 H2O 4 136 16.916 29.251 20.255 0.00 0.00 -ATOM 2419 O1 H2O 5 137 25.900 5.665 19.916 0.00 0.00 -ATOM 2420 H1 H2O 5 137 25.121 6.280 19.799 0.00 0.00 -ATOM 2421 H2 H2O 5 137 25.974 5.401 20.878 0.00 0.00 -ATOM 2422 O1 H2O 6 138 0.716 4.000 21.128 0.00 0.00 -ATOM 2423 H1 H2O 6 138 0.250 4.725 20.621 0.00 0.00 -ATOM 2424 H2 H2O 6 138 1.671 3.951 20.837 0.00 0.00 -ATOM 2425 O1 H2O 7 139 11.178 24.472 23.468 0.00 0.00 -ATOM 2426 H1 H2O 7 139 10.436 24.470 22.797 0.00 0.00 -ATOM 2427 H2 H2O 7 139 11.670 25.341 23.417 0.00 0.00 -ATOM 2428 O1 H2O 8 140 2.938 15.529 19.691 0.00 0.00 -ATOM 2429 H1 H2O 8 140 1.955 15.344 19.678 0.00 0.00 -ATOM 2430 H2 H2O 8 140 3.091 16.510 19.806 0.00 0.00 -ATOM 2431 O1 H2O 9 141 24.243 2.373 19.663 0.00 0.00 -ATOM 2432 H1 H2O 9 141 24.185 2.803 20.564 0.00 0.00 -ATOM 2433 H2 H2O 9 141 24.171 3.074 18.954 0.00 0.00 -ATOM 2434 O1 H2O 0 142 0.371 27.564 21.664 0.00 0.00 -ATOM 2435 H1 H2O 0 142 0.023 26.881 22.306 0.00 0.00 -ATOM 2436 H2 H2O 0 142 0.168 28.480 22.009 0.00 0.00 -ATOM 2437 O1 H2O 1 143 14.532 4.690 23.358 0.00 0.00 -ATOM 2438 H1 H2O 1 143 15.513 4.864 23.447 0.00 0.00 -ATOM 2439 H2 H2O 1 143 14.074 5.519 23.037 0.00 0.00 -ATOM 2440 O1 H2O 2 144 8.967 15.002 20.409 0.00 0.00 -ATOM 2441 H1 H2O 2 144 9.194 14.059 20.650 0.00 0.00 -ATOM 2442 H2 H2O 2 144 8.234 15.005 19.728 0.00 0.00 -ATOM 2443 O1 H2O 3 145 14.427 25.767 19.534 0.00 0.00 -ATOM 2444 H1 H2O 3 145 15.153 26.215 20.056 0.00 0.00 -ATOM 2445 H2 H2O 3 145 14.313 26.232 18.655 0.00 0.00 -ATOM 2446 O1 H2O 4 146 16.098 2.386 22.449 0.00 0.00 -ATOM 2447 H1 H2O 4 146 16.572 2.977 21.796 0.00 0.00 -ATOM 2448 H2 H2O 4 146 15.392 2.912 22.923 0.00 0.00 -ATOM 2449 O1 H2O 5 147 18.364 11.668 20.271 0.00 0.00 -ATOM 2450 H1 H2O 5 147 19.263 11.231 20.306 0.00 0.00 -ATOM 2451 H2 H2O 5 147 17.716 11.061 19.810 0.00 0.00 -ATOM 2452 O1 H2O 6 148 4.935 1.922 20.576 0.00 0.00 -ATOM 2453 H1 H2O 6 148 4.942 1.720 21.555 0.00 0.00 -ATOM 2454 H2 H2O 6 148 5.867 1.868 20.217 0.00 0.00 -ATOM 2455 O1 H2O 7 149 3.914 25.095 22.011 0.00 0.00 -ATOM 2456 H1 H2O 7 149 4.202 24.258 21.546 0.00 0.00 -ATOM 2457 H2 H2O 7 149 3.354 25.644 21.391 0.00 0.00 -ATOM 2458 O1 H2O 8 150 3.220 8.384 22.428 0.00 0.00 -ATOM 2459 H1 H2O 8 150 4.122 8.145 22.786 0.00 0.00 -ATOM 2460 H2 H2O 8 150 2.924 9.253 22.824 0.00 0.00 -ATOM 2461 O1 H2O 9 151 4.144 13.904 23.432 0.00 0.00 -ATOM 2462 H1 H2O 9 151 4.535 14.789 23.684 0.00 0.00 -ATOM 2463 H2 H2O 9 151 4.871 13.219 23.389 0.00 0.00 -ATOM 2464 O1 H2O 0 152 6.468 16.081 22.824 0.00 0.00 -ATOM 2465 H1 H2O 0 152 6.043 15.962 21.927 0.00 0.00 -ATOM 2466 H2 H2O 0 152 6.903 15.225 23.103 0.00 0.00 -ATOM 2467 O1 H2O 1 153 27.899 9.602 20.587 0.00 0.00 -ATOM 2468 H1 H2O 1 153 27.043 9.230 20.228 0.00 0.00 -ATOM 2469 H2 H2O 1 153 27.815 9.741 21.574 0.00 0.00 -ATOM 2470 O1 H2O 2 154 28.301 4.463 23.350 0.00 0.00 -ATOM 2471 H1 H2O 2 154 27.793 5.289 23.594 0.00 0.00 -ATOM 2472 H2 H2O 2 154 29.282 4.655 23.376 0.00 0.00 -ATOM 2473 O1 H2O 3 155 5.771 11.360 23.819 0.00 0.00 -ATOM 2474 H1 H2O 3 155 6.405 10.605 23.984 0.00 0.00 -ATOM 2475 H2 H2O 3 155 4.902 11.173 24.277 0.00 0.00 -ATOM 2476 O1 H2O 4 156 3.570 5.524 22.139 0.00 0.00 -ATOM 2477 H1 H2O 4 156 4.149 6.337 22.206 0.00 0.00 -ATOM 2478 H2 H2O 4 156 3.754 5.055 21.275 0.00 0.00 -ATOM 2479 O1 H2O 5 157 8.330 18.143 23.243 0.00 0.00 -ATOM 2480 H1 H2O 5 157 7.878 19.034 23.209 0.00 0.00 -ATOM 2481 H2 H2O 5 157 7.640 17.421 23.298 0.00 0.00 -ATOM 2482 O1 H2O 6 158 11.737 26.066 20.064 0.00 0.00 -ATOM 2483 H1 H2O 6 158 11.227 25.207 20.097 0.00 0.00 -ATOM 2484 H2 H2O 6 158 12.707 25.872 19.921 0.00 0.00 -ATOM 2485 O1 H2O 7 159 22.447 8.298 19.974 0.00 0.00 -ATOM 2486 H1 H2O 7 159 22.500 7.311 19.819 0.00 0.00 -ATOM 2487 H2 H2O 7 159 22.167 8.473 20.918 0.00 0.00 -ATOM 2488 O1 H2O 8 160 23.126 17.190 23.730 0.00 0.00 -ATOM 2489 H1 H2O 8 160 23.497 17.474 24.614 0.00 0.00 -ATOM 2490 H2 H2O 8 160 22.223 17.600 23.601 0.00 0.00 -ATOM 2491 O1 H2O 9 161 2.710 3.583 23.742 0.00 0.00 -ATOM 2492 H1 H2O 9 161 2.790 4.150 22.922 0.00 0.00 -ATOM 2493 H2 H2O 9 161 2.162 4.063 24.427 0.00 0.00 -ATOM 2494 O1 H2O 0 162 2.166 26.329 20.080 0.00 0.00 -ATOM 2495 H1 H2O 0 162 1.600 25.511 19.982 0.00 0.00 -ATOM 2496 H2 H2O 0 162 1.717 26.971 20.702 0.00 0.00 -ATOM 2497 O1 H2O 1 163 9.311 22.077 22.214 0.00 0.00 -ATOM 2498 H1 H2O 1 163 8.746 21.616 21.529 0.00 0.00 -ATOM 2499 H2 H2O 1 163 9.188 23.066 22.136 0.00 0.00 -ATOM 2500 O1 H2O 2 164 26.918 23.840 23.582 0.00 0.00 -ATOM 2501 H1 H2O 2 164 26.261 24.590 23.654 0.00 0.00 -ATOM 2502 H2 H2O 2 164 26.466 23.036 23.195 0.00 0.00 -ATOM 2503 O1 H2O 3 165 7.525 26.733 21.921 0.00 0.00 -ATOM 2504 H1 H2O 3 165 7.382 27.504 21.301 0.00 0.00 -ATOM 2505 H2 H2O 3 165 6.706 26.597 22.478 0.00 0.00 -ATOM 2506 O1 H2O 4 166 10.905 19.562 20.323 0.00 0.00 -ATOM 2507 H1 H2O 4 166 11.453 20.333 20.651 0.00 0.00 -ATOM 2508 H2 H2O 4 166 10.094 19.907 19.851 0.00 0.00 -ATOM 2509 O1 H2O 5 167 21.674 25.328 20.529 0.00 0.00 -ATOM 2510 H1 H2O 5 167 22.345 25.389 19.790 0.00 0.00 -ATOM 2511 H2 H2O 5 167 20.853 25.841 20.279 0.00 0.00 -ATOM 2512 O1 H2O 6 168 14.531 18.966 20.804 0.00 0.00 -ATOM 2513 H1 H2O 6 168 14.340 17.985 20.827 0.00 0.00 -ATOM 2514 H2 H2O 6 168 14.440 19.346 21.725 0.00 0.00 -ATOM 2515 O1 H2O 7 169 29.248 23.241 22.718 0.00 0.00 -ATOM 2516 H1 H2O 7 169 29.340 22.246 22.766 0.00 0.00 -ATOM 2517 H2 H2O 7 169 28.377 23.515 23.124 0.00 0.00 -ATOM 2518 O1 H2O 8 170 2.874 23.348 19.568 0.00 0.00 -ATOM 2519 H1 H2O 8 170 1.929 23.415 19.888 0.00 0.00 -ATOM 2520 H2 H2O 8 170 3.021 23.999 18.822 0.00 0.00 -ATOM 2521 O1 H2O 9 171 11.643 15.409 20.874 0.00 0.00 -ATOM 2522 H1 H2O 9 171 10.653 15.297 20.789 0.00 0.00 -ATOM 2523 H2 H2O 9 171 11.900 15.388 21.840 0.00 0.00 -ATOM 2524 O1 H2O 0 172 19.523 0.890 19.800 0.00 0.00 -ATOM 2525 H1 H2O 0 172 18.859 0.167 19.607 0.00 0.00 -ATOM 2526 H2 H2O 0 172 19.454 1.158 20.761 0.00 0.00 -ATOM 2527 O1 H2O 1 173 24.808 25.231 20.523 0.00 0.00 -ATOM 2528 H1 H2O 1 173 25.155 25.417 21.442 0.00 0.00 -ATOM 2529 H2 H2O 1 173 24.568 26.093 20.076 0.00 0.00 -ATOM 2530 O1 H2O 2 174 24.044 24.668 23.418 0.00 0.00 -ATOM 2531 H1 H2O 2 174 23.531 25.476 23.128 0.00 0.00 -ATOM 2532 H2 H2O 2 174 23.413 23.907 23.565 0.00 0.00 -ATOM 2533 O1 H2O 3 175 17.855 8.413 23.716 0.00 0.00 -ATOM 2534 H1 H2O 3 175 18.489 9.178 23.600 0.00 0.00 -ATOM 2535 H2 H2O 3 175 17.772 8.193 24.688 0.00 0.00 -ATOM 2536 O1 H2O 4 176 17.193 3.070 19.940 0.00 0.00 -ATOM 2537 H1 H2O 4 176 16.472 3.009 19.249 0.00 0.00 -ATOM 2538 H2 H2O 4 176 18.029 2.651 19.587 0.00 0.00 -ATOM 2539 O1 H2O 5 177 3.320 12.895 20.179 0.00 0.00 -ATOM 2540 H1 H2O 5 177 2.513 12.427 20.539 0.00 0.00 -ATOM 2541 H2 H2O 5 177 3.159 13.882 20.176 0.00 0.00 -ATOM 2542 O1 H2O 6 178 10.677 4.993 21.130 0.00 0.00 -ATOM 2543 H1 H2O 6 178 11.439 4.364 21.280 0.00 0.00 -ATOM 2544 H2 H2O 6 178 9.930 4.768 21.755 0.00 0.00 -ATOM 2545 O1 H2O 7 179 26.631 26.323 22.268 0.00 0.00 -ATOM 2546 H1 H2O 7 179 26.288 27.088 22.813 0.00 0.00 -ATOM 2547 H2 H2O 7 179 27.497 26.002 22.652 0.00 0.00 -ATOM 2548 O1 H2O 8 180 15.320 26.599 23.437 0.00 0.00 -ATOM 2549 H1 H2O 8 180 14.340 26.717 23.273 0.00 0.00 -ATOM 2550 H2 H2O 8 180 15.540 25.624 23.455 0.00 0.00 -ATOM 2551 O1 H2O 9 181 19.213 1.145 22.647 0.00 0.00 -ATOM 2552 H1 H2O 9 181 18.904 0.220 22.867 0.00 0.00 -ATOM 2553 H2 H2O 9 181 20.172 1.247 22.911 0.00 0.00 -ATOM 2554 O1 H2O 0 182 1.548 1.457 22.546 0.00 0.00 -ATOM 2555 H1 H2O 0 182 2.112 2.172 22.960 0.00 0.00 -ATOM 2556 H2 H2O 0 182 0.776 1.252 23.147 0.00 0.00 -ATOM 2557 O1 H2O 1 183 5.084 5.711 19.645 0.00 0.00 -ATOM 2558 H1 H2O 1 183 4.605 4.850 19.474 0.00 0.00 -ATOM 2559 H2 H2O 1 183 6.026 5.519 19.923 0.00 0.00 -ATOM 2560 O1 H2O 2 184 21.040 27.972 22.512 0.00 0.00 -ATOM 2561 H1 H2O 2 184 20.202 28.097 23.043 0.00 0.00 -ATOM 2562 H2 H2O 2 184 20.837 28.073 21.539 0.00 0.00 -ATOM 2563 O1 H2O 3 185 5.768 3.958 23.240 0.00 0.00 -ATOM 2564 H1 H2O 3 185 5.250 3.114 23.377 0.00 0.00 -ATOM 2565 H2 H2O 3 185 5.141 4.736 23.227 0.00 0.00 -ATOM 2566 O1 H2O 4 186 7.442 13.581 23.485 0.00 0.00 -ATOM 2567 H1 H2O 4 186 6.950 12.725 23.643 0.00 0.00 -ATOM 2568 H2 H2O 4 186 8.332 13.383 23.074 0.00 0.00 -ATOM 2569 O1 H2O 5 187 22.349 0.279 19.702 0.00 0.00 -ATOM 2570 H1 H2O 5 187 21.472 0.755 19.638 0.00 0.00 -ATOM 2571 H2 H2O 5 187 23.091 0.918 19.500 0.00 0.00 -ATOM 2572 O1 H2O 6 188 10.009 28.093 20.667 0.00 0.00 -ATOM 2573 H1 H2O 6 188 9.379 28.296 19.918 0.00 0.00 -ATOM 2574 H2 H2O 6 188 10.525 27.263 20.455 0.00 0.00 -ATOM 2575 O1 H2O 7 189 22.963 14.487 23.499 0.00 0.00 -ATOM 2576 H1 H2O 7 189 23.155 15.468 23.524 0.00 0.00 -ATOM 2577 H2 H2O 7 189 23.799 13.979 23.709 0.00 0.00 -ATOM 2578 O1 H2O 8 190 5.612 26.452 23.689 0.00 0.00 -ATOM 2579 H1 H2O 8 190 5.534 26.376 24.683 0.00 0.00 -ATOM 2580 H2 H2O 8 190 4.906 25.891 23.256 0.00 0.00 -ATOM 2581 O1 H2O 9 191 16.421 10.384 22.395 0.00 0.00 -ATOM 2582 H1 H2O 9 191 16.869 11.216 22.723 0.00 0.00 -ATOM 2583 H2 H2O 9 191 16.849 9.586 22.819 0.00 0.00 -ATOM 2584 O1 H2O 0 192 11.675 0.490 20.284 0.00 0.00 -ATOM 2585 H1 H2O 0 192 11.115 1.270 20.002 0.00 0.00 -ATOM 2586 H2 H2O 0 192 11.084 -0.294 20.472 0.00 0.00 -ATOM 2587 O1 H2O 1 193 25.519 21.613 22.244 0.00 0.00 -ATOM 2588 H1 H2O 1 193 26.380 21.533 21.741 0.00 0.00 -ATOM 2589 H2 H2O 1 193 24.821 22.011 21.650 0.00 0.00 -ATOM 2590 O1 H2O 2 194 14.259 8.569 20.133 0.00 0.00 -ATOM 2591 H1 H2O 2 194 14.206 9.534 19.876 0.00 0.00 -ATOM 2592 H2 H2O 2 194 15.189 8.234 19.982 0.00 0.00 -ATOM 2593 O1 H2O 3 195 6.998 20.491 23.621 0.00 0.00 -ATOM 2594 H1 H2O 3 195 7.175 20.455 24.604 0.00 0.00 -ATOM 2595 H2 H2O 3 195 6.128 20.040 23.422 0.00 0.00 -ATOM 2596 O1 H2O 4 196 21.585 4.209 22.871 0.00 0.00 -ATOM 2597 H1 H2O 4 196 21.756 4.176 21.887 0.00 0.00 -ATOM 2598 H2 H2O 4 196 21.567 3.279 23.238 0.00 0.00 -ATOM 2599 O1 H2O 5 197 26.961 13.341 20.659 0.00 0.00 -ATOM 2600 H1 H2O 5 197 26.890 14.287 20.343 0.00 0.00 -ATOM 2601 H2 H2O 5 197 27.725 12.891 20.197 0.00 0.00 -ATOM 2602 O1 H2O 6 198 19.634 15.956 20.326 0.00 0.00 -ATOM 2603 H1 H2O 6 198 19.472 16.866 19.945 0.00 0.00 -ATOM 2604 H2 H2O 6 198 18.840 15.375 20.150 0.00 0.00 -ATOM 2605 O1 H2O 7 199 26.120 28.451 23.712 0.00 0.00 -ATOM 2606 H1 H2O 7 199 25.976 28.839 24.622 0.00 0.00 -ATOM 2607 H2 H2O 7 199 26.944 28.848 23.307 0.00 0.00 -ATOM 2608 O1 H2O 8 200 7.656 0.670 23.721 0.00 0.00 -ATOM 2609 H1 H2O 8 200 8.231 1.323 24.215 0.00 0.00 -ATOM 2610 H2 H2O 8 200 7.926 -0.262 23.963 0.00 0.00 -ATOM 2611 O1 H2O 9 201 11.279 23.306 19.804 0.00 0.00 -ATOM 2612 H1 H2O 9 201 11.051 23.215 18.834 0.00 0.00 -ATOM 2613 H2 H2O 9 201 11.901 22.570 20.070 0.00 0.00 -ATOM 2614 O1 H2O 0 202 17.146 19.534 19.948 0.00 0.00 -ATOM 2615 H1 H2O 0 202 16.948 20.027 19.101 0.00 0.00 -ATOM 2616 H2 H2O 0 202 16.298 19.158 20.321 0.00 0.00 -ATOM 2617 O1 H2O 1 203 15.293 16.416 19.857 0.00 0.00 -ATOM 2618 H1 H2O 1 203 14.725 15.603 19.734 0.00 0.00 -ATOM 2619 H2 H2O 1 203 15.854 16.557 19.041 0.00 0.00 -ATOM 2620 O1 H2O 2 204 11.701 10.545 20.737 0.00 0.00 -ATOM 2621 H1 H2O 2 204 11.594 9.573 20.525 0.00 0.00 -ATOM 2622 H2 H2O 2 204 12.663 10.801 20.647 0.00 0.00 -ATOM 2623 O1 h2o 1 205 29.107 11.767 19.581 0.00 0.00 -ATOM 2624 H1 h2o 1 205 28.759 10.845 19.748 0.00 0.00 -ATOM 2625 H2 h2o 1 205 29.530 11.805 18.675 0.00 0.00 -ATOM 2626 O1 h2o 2 206 2.110 10.436 19.761 0.00 0.00 -ATOM 2627 H1 h2o 2 206 2.221 9.520 20.146 0.00 0.00 -ATOM 2628 H2 h2o 2 206 1.186 10.767 19.950 0.00 0.00 -ATOM 2629 O1 h2o 3 207 6.347 25.394 19.896 0.00 0.00 -ATOM 2630 H1 h2o 3 207 6.118 26.294 19.524 0.00 0.00 -ATOM 2631 H2 h2o 3 207 6.418 25.453 20.892 0.00 0.00 -ATOM 2632 O1 h2o 4 208 0.828 28.905 24.062 0.00 0.00 -ATOM 2633 H1 h2o 4 208 -0.147 28.697 24.150 0.00 0.00 -ATOM 2634 H2 h2o 4 208 1.240 28.959 24.972 0.00 0.00 -ATOM 2635 O1 h2o 5 209 15.812 5.966 20.599 0.00 0.00 -ATOM 2636 H1 h2o 5 209 16.168 5.665 21.484 0.00 0.00 -ATOM 2637 H2 h2o 5 209 15.088 6.640 20.742 0.00 0.00 -END -REMARK GOMC 9 8000000 -CRYST1 29.472 29.777 26.750 90.00 90.00 90.00 P 1 1 -ATOM 1 C1 TOP 1 1 15.350 15.597 10.050 0.00 1.00 -ATOM 2 C2 TOP 1 1 15.350 15.597 13.400 0.00 1.00 -ATOM 3 C3 TOP 1 1 15.350 15.597 16.750 0.00 1.00 -ATOM 4 C4 TOP 1 1 14.122 17.724 10.050 0.00 1.00 -ATOM 5 C5 TOP 1 1 14.122 17.724 13.400 0.00 1.00 -ATOM 6 C6 TOP 1 1 14.122 17.724 16.750 0.00 1.00 -ATOM 7 C7 TOP 1 1 12.894 19.851 10.050 0.00 1.00 -ATOM 8 C8 TOP 1 1 12.894 19.851 13.400 0.00 1.00 -ATOM 9 C9 TOP 1 1 12.894 19.851 16.750 0.00 1.00 -ATOM 10 CA TOP 1 1 11.666 21.978 10.050 0.00 1.00 -ATOM 11 CB TOP 1 1 11.666 21.978 13.400 0.00 1.00 -ATOM 12 CC TOP 1 1 11.666 21.978 16.750 0.00 1.00 -ATOM 13 CD TOP 1 1 10.438 24.105 10.050 0.00 1.00 -ATOM 14 CE TOP 1 1 10.438 24.105 13.400 0.00 1.00 -ATOM 15 CF TOP 1 1 10.438 24.105 16.750 0.00 1.00 -ATOM 16 CG TOP 1 1 9.210 26.232 10.050 0.00 1.00 -ATOM 17 CH TOP 1 1 9.210 26.232 13.400 0.00 1.00 -ATOM 18 CI TOP 1 1 9.210 26.232 16.750 0.00 1.00 -ATOM 19 CJ TOP 1 1 7.982 28.359 10.050 0.00 1.00 -ATOM 20 CK TOP 1 1 7.982 28.359 13.400 0.00 1.00 -ATOM 21 CL TOP 1 1 7.982 28.359 16.750 0.00 1.00 -ATOM 22 CM TOP 1 1 6.754 0.709 10.050 0.00 1.00 -ATOM 23 CN TOP 1 1 6.754 0.709 13.400 0.00 1.00 -ATOM 24 CO TOP 1 1 6.754 0.709 16.750 0.00 1.00 -ATOM 25 CP TOP 1 1 5.526 2.836 10.050 0.00 1.00 -ATOM 26 CQ TOP 1 1 5.526 2.836 13.400 0.00 1.00 -ATOM 27 CR TOP 1 1 5.526 2.836 16.750 0.00 1.00 -ATOM 28 CS TOP 1 1 4.298 4.963 10.050 0.00 1.00 -ATOM 29 CT TOP 1 1 4.298 4.963 13.400 0.00 1.00 -ATOM 30 CU TOP 1 1 4.298 4.963 16.750 0.00 1.00 -ATOM 31 CV TOP 1 1 3.070 7.090 10.050 0.00 1.00 -ATOM 32 CW TOP 1 1 3.070 7.090 13.400 0.00 1.00 -ATOM 33 CX TOP 1 1 3.070 7.090 16.750 0.00 1.00 -ATOM 34 CY TOP 1 1 1.842 9.217 10.050 0.00 1.00 -ATOM 35 CZ TOP 1 1 1.842 9.217 13.400 0.00 1.00 -ATOM 36 Ca TOP 1 1 1.842 9.217 16.750 0.00 1.00 -ATOM 37 Cb TOP 1 1 0.614 11.344 10.050 0.00 1.00 -ATOM 38 Cc TOP 1 1 0.614 11.344 13.400 0.00 1.00 -ATOM 39 Cd TOP 1 1 0.614 11.344 16.750 0.00 1.00 -ATOM 40 Ce TOP 1 1 28.858 13.471 10.050 0.00 1.00 -ATOM 41 Cf TOP 1 1 28.858 13.471 13.400 0.00 1.00 -ATOM 42 Cg TOP 1 1 28.858 13.471 16.750 0.00 1.00 -ATOM 43 Ch TOP 1 1 17.806 15.597 10.050 0.00 1.00 -ATOM 44 Ci TOP 1 1 17.806 15.597 13.400 0.00 1.00 -ATOM 45 Cj TOP 1 1 17.806 15.597 16.750 0.00 1.00 -ATOM 46 Ck TOP 1 1 16.578 17.724 10.050 0.00 1.00 -ATOM 47 Cl TOP 1 1 16.578 17.724 13.400 0.00 1.00 -ATOM 48 Cm TOP 1 1 16.578 17.724 16.750 0.00 1.00 -ATOM 49 Cn TOP 1 1 15.350 19.851 10.050 0.00 1.00 -ATOM 50 Co TOP 1 1 15.350 19.851 13.400 0.00 1.00 -ATOM 51 Cp TOP 1 1 15.350 19.851 16.750 0.00 1.00 -ATOM 52 Cq TOP 1 1 14.122 21.978 10.050 0.00 1.00 -ATOM 53 Cr TOP 1 1 14.122 21.978 13.400 0.00 1.00 -ATOM 54 Cs TOP 1 1 14.122 21.978 16.750 0.00 1.00 -ATOM 55 Ct TOP 1 1 12.894 24.105 10.050 0.00 1.00 -ATOM 56 Cu TOP 1 1 12.894 24.105 13.400 0.00 1.00 -ATOM 57 Cv TOP 1 1 12.894 24.105 16.750 0.00 1.00 -ATOM 58 Cw TOP 1 1 11.666 26.232 10.050 0.00 1.00 -ATOM 59 Cx TOP 1 1 11.666 26.232 13.400 0.00 1.00 -ATOM 60 Cy TOP 1 1 11.666 26.232 16.750 0.00 1.00 -ATOM 61 Cz TOP 1 1 10.438 28.359 10.050 0.00 1.00 -ATOM 62 C10 TOP 1 1 10.438 28.359 13.400 0.00 1.00 -ATOM 63 C11 TOP 1 1 10.438 28.359 16.750 0.00 1.00 -ATOM 64 C12 TOP 1 1 9.210 0.709 10.050 0.00 1.00 -ATOM 65 C13 TOP 1 1 9.210 0.709 13.400 0.00 1.00 -ATOM 66 C14 TOP 1 1 9.210 0.709 16.750 0.00 1.00 -ATOM 67 C15 TOP 1 1 7.982 2.836 10.050 0.00 1.00 -ATOM 68 C16 TOP 1 1 7.982 2.836 13.400 0.00 1.00 -ATOM 69 C17 TOP 1 1 7.982 2.836 16.750 0.00 1.00 -ATOM 70 C18 TOP 1 1 6.754 4.963 10.050 0.00 1.00 -ATOM 71 C19 TOP 1 1 6.754 4.963 13.400 0.00 1.00 -ATOM 72 C1A TOP 1 1 6.754 4.963 16.750 0.00 1.00 -ATOM 73 C1B TOP 1 1 5.526 7.090 10.050 0.00 1.00 -ATOM 74 C1C TOP 1 1 5.526 7.090 13.400 0.00 1.00 -ATOM 75 C1D TOP 1 1 5.526 7.090 16.750 0.00 1.00 -ATOM 76 C1E TOP 1 1 4.298 9.217 10.050 0.00 1.00 -ATOM 77 C1F TOP 1 1 4.298 9.217 13.400 0.00 1.00 -ATOM 78 C1G TOP 1 1 4.298 9.217 16.750 0.00 1.00 -ATOM 79 C1H TOP 1 1 3.070 11.344 10.050 0.00 1.00 -ATOM 80 C1I TOP 1 1 3.070 11.344 13.400 0.00 1.00 -ATOM 81 C1J TOP 1 1 3.070 11.344 16.750 0.00 1.00 -ATOM 82 C1K TOP 1 1 1.842 13.471 10.050 0.00 1.00 -ATOM 83 C1L TOP 1 1 1.842 13.471 13.400 0.00 1.00 -ATOM 84 C1M TOP 1 1 1.842 13.471 16.750 0.00 1.00 -ATOM 85 C1N TOP 1 1 20.262 15.597 10.050 0.00 1.00 -ATOM 86 C1O TOP 1 1 20.262 15.597 13.400 0.00 1.00 -ATOM 87 C1P TOP 1 1 20.262 15.597 16.750 0.00 1.00 -ATOM 88 C1Q TOP 1 1 19.034 17.724 10.050 0.00 1.00 -ATOM 89 C1R TOP 1 1 19.034 17.724 13.400 0.00 1.00 -ATOM 90 C1S TOP 1 1 19.034 17.724 16.750 0.00 1.00 -ATOM 91 C1T TOP 1 1 17.806 19.851 10.050 0.00 1.00 -ATOM 92 C1U TOP 1 1 17.806 19.851 13.400 0.00 1.00 -ATOM 93 C1V TOP 1 1 17.806 19.851 16.750 0.00 1.00 -ATOM 94 C1W TOP 1 1 16.578 21.978 10.050 0.00 1.00 -ATOM 95 C1X TOP 1 1 16.578 21.978 13.400 0.00 1.00 -ATOM 96 C1Y TOP 1 1 16.578 21.978 16.750 0.00 1.00 -ATOM 97 C1Z TOP 1 1 15.350 24.105 10.050 0.00 1.00 -ATOM 98 C1a TOP 1 1 15.350 24.105 13.400 0.00 1.00 -ATOM 99 C1b TOP 1 1 15.350 24.105 16.750 0.00 1.00 -ATOM 100 C1c TOP 1 1 14.122 26.232 10.050 0.00 1.00 -ATOM 101 C1d TOP 1 1 14.122 26.232 13.400 0.00 1.00 -ATOM 102 C1e TOP 1 1 14.122 26.232 16.750 0.00 1.00 -ATOM 103 C1f TOP 1 1 12.894 28.359 10.050 0.00 1.00 -ATOM 104 C1g TOP 1 1 12.894 28.359 13.400 0.00 1.00 -ATOM 105 C1h TOP 1 1 12.894 28.359 16.750 0.00 1.00 -ATOM 106 C1i TOP 1 1 11.666 0.709 10.050 0.00 1.00 -ATOM 107 C1j TOP 1 1 11.666 0.709 13.400 0.00 1.00 -ATOM 108 C1k TOP 1 1 11.666 0.709 16.750 0.00 1.00 -ATOM 109 C1l TOP 1 1 10.438 2.836 10.050 0.00 1.00 -ATOM 110 C1m TOP 1 1 10.438 2.836 13.400 0.00 1.00 -ATOM 111 C1n TOP 1 1 10.438 2.836 16.750 0.00 1.00 -ATOM 112 C1o TOP 1 1 9.210 4.963 10.050 0.00 1.00 -ATOM 113 C1p TOP 1 1 9.210 4.963 13.400 0.00 1.00 -ATOM 114 C1q TOP 1 1 9.210 4.963 16.750 0.00 1.00 -ATOM 115 C1r TOP 1 1 7.982 7.090 10.050 0.00 1.00 -ATOM 116 C1s TOP 1 1 7.982 7.090 13.400 0.00 1.00 -ATOM 117 C1t TOP 1 1 7.982 7.090 16.750 0.00 1.00 -ATOM 118 C1u TOP 1 1 6.754 9.217 10.050 0.00 1.00 -ATOM 119 C1v TOP 1 1 6.754 9.217 13.400 0.00 1.00 -ATOM 120 C1w TOP 1 1 6.754 9.217 16.750 0.00 1.00 -ATOM 121 C1x TOP 1 1 5.526 11.344 10.050 0.00 1.00 -ATOM 122 C1y TOP 1 1 5.526 11.344 13.400 0.00 1.00 -ATOM 123 C1z TOP 1 1 5.526 11.344 16.750 0.00 1.00 -ATOM 124 C20 TOP 1 1 4.298 13.471 10.050 0.00 1.00 -ATOM 125 C21 TOP 1 1 4.298 13.471 13.400 0.00 1.00 -ATOM 126 C22 TOP 1 1 4.298 13.471 16.750 0.00 1.00 -ATOM 127 C23 TOP 1 1 22.718 15.597 10.050 0.00 1.00 -ATOM 128 C24 TOP 1 1 22.718 15.597 13.400 0.00 1.00 -ATOM 129 C25 TOP 1 1 22.718 15.597 16.750 0.00 1.00 -ATOM 130 C26 TOP 1 1 21.490 17.724 10.050 0.00 1.00 -ATOM 131 C27 TOP 1 1 21.490 17.724 13.400 0.00 1.00 -ATOM 132 C28 TOP 1 1 21.490 17.724 16.750 0.00 1.00 -ATOM 133 C29 TOP 1 1 20.262 19.851 10.050 0.00 1.00 -ATOM 134 C2A TOP 1 1 20.262 19.851 13.400 0.00 1.00 -ATOM 135 C2B TOP 1 1 20.262 19.851 16.750 0.00 1.00 -ATOM 136 C2C TOP 1 1 19.034 21.978 10.050 0.00 1.00 -ATOM 137 C2D TOP 1 1 19.034 21.978 13.400 0.00 1.00 -ATOM 138 C2E TOP 1 1 19.034 21.978 16.750 0.00 1.00 -ATOM 139 C2F TOP 1 1 17.806 24.105 10.050 0.00 1.00 -ATOM 140 C2G TOP 1 1 17.806 24.105 13.400 0.00 1.00 -ATOM 141 C2H TOP 1 1 17.806 24.105 16.750 0.00 1.00 -ATOM 142 C2I TOP 1 1 16.578 26.232 10.050 0.00 1.00 -ATOM 143 C2J TOP 1 1 16.578 26.232 13.400 0.00 1.00 -ATOM 144 C2K TOP 1 1 16.578 26.232 16.750 0.00 1.00 -ATOM 145 C2L TOP 1 1 15.350 28.359 10.050 0.00 1.00 -ATOM 146 C2M TOP 1 1 15.350 28.359 13.400 0.00 1.00 -ATOM 147 C2N TOP 1 1 15.350 28.359 16.750 0.00 1.00 -ATOM 148 C2O TOP 1 1 14.122 0.709 10.050 0.00 1.00 -ATOM 149 C2P TOP 1 1 14.122 0.709 13.400 0.00 1.00 -ATOM 150 C2Q TOP 1 1 14.122 0.709 16.750 0.00 1.00 -ATOM 151 C2R TOP 1 1 12.894 2.836 10.050 0.00 1.00 -ATOM 152 C2S TOP 1 1 12.894 2.836 13.400 0.00 1.00 -ATOM 153 C2T TOP 1 1 12.894 2.836 16.750 0.00 1.00 -ATOM 154 C2U TOP 1 1 11.666 4.963 10.050 0.00 1.00 -ATOM 155 C2V TOP 1 1 11.666 4.963 13.400 0.00 1.00 -ATOM 156 C2W TOP 1 1 11.666 4.963 16.750 0.00 1.00 -ATOM 157 C2X TOP 1 1 10.438 7.090 10.050 0.00 1.00 -ATOM 158 C2Y TOP 1 1 10.438 7.090 13.400 0.00 1.00 -ATOM 159 C2Z TOP 1 1 10.438 7.090 16.750 0.00 1.00 -ATOM 160 C2a TOP 1 1 9.210 9.217 10.050 0.00 1.00 -ATOM 161 C2b TOP 1 1 9.210 9.217 13.400 0.00 1.00 -ATOM 162 C2c TOP 1 1 9.210 9.217 16.750 0.00 1.00 -ATOM 163 C2d TOP 1 1 7.982 11.344 10.050 0.00 1.00 -ATOM 164 C2e TOP 1 1 7.982 11.344 13.400 0.00 1.00 -ATOM 165 C2f TOP 1 1 7.982 11.344 16.750 0.00 1.00 -ATOM 166 C2g TOP 1 1 6.754 13.471 10.050 0.00 1.00 -ATOM 167 C2h TOP 1 1 6.754 13.471 13.400 0.00 1.00 -ATOM 168 C2i TOP 1 1 6.754 13.471 16.750 0.00 1.00 -ATOM 169 C2j TOP 1 1 25.174 15.597 10.050 0.00 1.00 -ATOM 170 C2k TOP 1 1 25.174 15.597 13.400 0.00 1.00 -ATOM 171 C2l TOP 1 1 25.174 15.597 16.750 0.00 1.00 -ATOM 172 C2m TOP 1 1 23.946 17.724 10.050 0.00 1.00 -ATOM 173 C2n TOP 1 1 23.946 17.724 13.400 0.00 1.00 -ATOM 174 C2o TOP 1 1 23.946 17.724 16.750 0.00 1.00 -ATOM 175 C2p TOP 1 1 22.718 19.851 10.050 0.00 1.00 -ATOM 176 C2q TOP 1 1 22.718 19.851 13.400 0.00 1.00 -ATOM 177 C2r TOP 1 1 22.718 19.851 16.750 0.00 1.00 -ATOM 178 C2s TOP 1 1 21.490 21.978 10.050 0.00 1.00 -ATOM 179 C2t TOP 1 1 21.490 21.978 13.400 0.00 1.00 -ATOM 180 C2u TOP 1 1 21.490 21.978 16.750 0.00 1.00 -ATOM 181 C2v TOP 1 1 20.262 24.105 10.050 0.00 1.00 -ATOM 182 C2w TOP 1 1 20.262 24.105 13.400 0.00 1.00 -ATOM 183 C2x TOP 1 1 20.262 24.105 16.750 0.00 1.00 -ATOM 184 C2y TOP 1 1 19.034 26.232 10.050 0.00 1.00 -ATOM 185 C2z TOP 1 1 19.034 26.232 13.400 0.00 1.00 -ATOM 186 C30 TOP 1 1 19.034 26.232 16.750 0.00 1.00 -ATOM 187 C31 TOP 1 1 17.806 28.359 10.050 0.00 1.00 -ATOM 188 C32 TOP 1 1 17.806 28.359 13.400 0.00 1.00 -ATOM 189 C33 TOP 1 1 17.806 28.359 16.750 0.00 1.00 -ATOM 190 C34 TOP 1 1 16.578 0.709 10.050 0.00 1.00 -ATOM 191 C35 TOP 1 1 16.578 0.709 13.400 0.00 1.00 -ATOM 192 C36 TOP 1 1 16.578 0.709 16.750 0.00 1.00 -ATOM 193 C37 TOP 1 1 15.350 2.836 10.050 0.00 1.00 -ATOM 194 C38 TOP 1 1 15.350 2.836 13.400 0.00 1.00 -ATOM 195 C39 TOP 1 1 15.350 2.836 16.750 0.00 1.00 -ATOM 196 C3A TOP 1 1 14.122 4.963 10.050 0.00 1.00 -ATOM 197 C3B TOP 1 1 14.122 4.963 13.400 0.00 1.00 -ATOM 198 C3C TOP 1 1 14.122 4.963 16.750 0.00 1.00 -ATOM 199 C3D TOP 1 1 12.894 7.090 10.050 0.00 1.00 -ATOM 200 C3E TOP 1 1 12.894 7.090 13.400 0.00 1.00 -ATOM 201 C3F TOP 1 1 12.894 7.090 16.750 0.00 1.00 -ATOM 202 C3G TOP 1 1 11.666 9.217 10.050 0.00 1.00 -ATOM 203 C3H TOP 1 1 11.666 9.217 13.400 0.00 1.00 -ATOM 204 C3I TOP 1 1 11.666 9.217 16.750 0.00 1.00 -ATOM 205 C3J TOP 1 1 10.438 11.344 10.050 0.00 1.00 -ATOM 206 C3K TOP 1 1 10.438 11.344 13.400 0.00 1.00 -ATOM 207 C3L TOP 1 1 10.438 11.344 16.750 0.00 1.00 -ATOM 208 C3M TOP 1 1 9.210 13.471 10.050 0.00 1.00 -ATOM 209 C3N TOP 1 1 9.210 13.471 13.400 0.00 1.00 -ATOM 210 C3O TOP 1 1 9.210 13.471 16.750 0.00 1.00 -ATOM 211 C3P TOP 1 1 27.630 15.597 10.050 0.00 1.00 -ATOM 212 C3Q TOP 1 1 27.630 15.597 13.400 0.00 1.00 -ATOM 213 C3R TOP 1 1 27.630 15.597 16.750 0.00 1.00 -ATOM 214 C3S TOP 1 1 26.402 17.724 10.050 0.00 1.00 -ATOM 215 C3T TOP 1 1 26.402 17.724 13.400 0.00 1.00 -ATOM 216 C3U TOP 1 1 26.402 17.724 16.750 0.00 1.00 -ATOM 217 C3V TOP 1 1 25.174 19.851 10.050 0.00 1.00 -ATOM 218 C3W TOP 1 1 25.174 19.851 13.400 0.00 1.00 -ATOM 219 C3X TOP 1 1 25.174 19.851 16.750 0.00 1.00 -ATOM 220 C3Y TOP 1 1 23.946 21.978 10.050 0.00 1.00 -ATOM 221 C3Z TOP 1 1 23.946 21.978 13.400 0.00 1.00 -ATOM 222 C3a TOP 1 1 23.946 21.978 16.750 0.00 1.00 -ATOM 223 C3b TOP 1 1 22.718 24.105 10.050 0.00 1.00 -ATOM 224 C3c TOP 1 1 22.718 24.105 13.400 0.00 1.00 -ATOM 225 C3d TOP 1 1 22.718 24.105 16.750 0.00 1.00 -ATOM 226 C3e TOP 1 1 21.490 26.232 10.050 0.00 1.00 -ATOM 227 C3f TOP 1 1 21.490 26.232 13.400 0.00 1.00 -ATOM 228 C3g TOP 1 1 21.490 26.232 16.750 0.00 1.00 -ATOM 229 C3h TOP 1 1 20.262 28.359 10.050 0.00 1.00 -ATOM 230 C3i TOP 1 1 20.262 28.359 13.400 0.00 1.00 -ATOM 231 C3j TOP 1 1 20.262 28.359 16.750 0.00 1.00 -ATOM 232 C3k TOP 1 1 19.034 0.709 10.050 0.00 1.00 -ATOM 233 C3l TOP 1 1 19.034 0.709 13.400 0.00 1.00 -ATOM 234 C3m TOP 1 1 19.034 0.709 16.750 0.00 1.00 -ATOM 235 C3n TOP 1 1 17.806 2.836 10.050 0.00 1.00 -ATOM 236 C3o TOP 1 1 17.806 2.836 13.400 0.00 1.00 -ATOM 237 C3p TOP 1 1 17.806 2.836 16.750 0.00 1.00 -ATOM 238 C3q TOP 1 1 16.578 4.963 10.050 0.00 1.00 -ATOM 239 C3r TOP 1 1 16.578 4.963 13.400 0.00 1.00 -ATOM 240 C3s TOP 1 1 16.578 4.963 16.750 0.00 1.00 -ATOM 241 C3t TOP 1 1 15.350 7.090 10.050 0.00 1.00 -ATOM 242 C3u TOP 1 1 15.350 7.090 13.400 0.00 1.00 -ATOM 243 C3v TOP 1 1 15.350 7.090 16.750 0.00 1.00 -ATOM 244 C3w TOP 1 1 14.122 9.217 10.050 0.00 1.00 -ATOM 245 C3x TOP 1 1 14.122 9.217 13.400 0.00 1.00 -ATOM 246 C3y TOP 1 1 14.122 9.217 16.750 0.00 1.00 -ATOM 247 C3z TOP 1 1 12.894 11.344 10.050 0.00 1.00 -ATOM 248 C40 TOP 1 1 12.894 11.344 13.400 0.00 1.00 -ATOM 249 C41 TOP 1 1 12.894 11.344 16.750 0.00 1.00 -ATOM 250 C42 TOP 1 1 11.666 13.471 10.050 0.00 1.00 -ATOM 251 C43 TOP 1 1 11.666 13.471 13.400 0.00 1.00 -ATOM 252 C44 TOP 1 1 11.666 13.471 16.750 0.00 1.00 -ATOM 253 C45 TOP 1 1 0.614 15.597 10.050 0.00 1.00 -ATOM 254 C46 TOP 1 1 0.614 15.597 13.400 0.00 1.00 -ATOM 255 C47 TOP 1 1 0.614 15.597 16.750 0.00 1.00 -ATOM 256 C48 TOP 1 1 28.858 17.724 10.050 0.00 1.00 -ATOM 257 C49 TOP 1 1 28.858 17.724 13.400 0.00 1.00 -ATOM 258 C4A TOP 1 1 28.858 17.724 16.750 0.00 1.00 -ATOM 259 C4B TOP 1 1 27.630 19.851 10.050 0.00 1.00 -ATOM 260 C4C TOP 1 1 27.630 19.851 13.400 0.00 1.00 -ATOM 261 C4D TOP 1 1 27.630 19.851 16.750 0.00 1.00 -ATOM 262 C4E TOP 1 1 26.402 21.978 10.050 0.00 1.00 -ATOM 263 C4F TOP 1 1 26.402 21.978 13.400 0.00 1.00 -ATOM 264 C4G TOP 1 1 26.402 21.978 16.750 0.00 1.00 -ATOM 265 C4H TOP 1 1 25.174 24.105 10.050 0.00 1.00 -ATOM 266 C4I TOP 1 1 25.174 24.105 13.400 0.00 1.00 -ATOM 267 C4J TOP 1 1 25.174 24.105 16.750 0.00 1.00 -ATOM 268 C4K TOP 1 1 23.946 26.232 10.050 0.00 1.00 -ATOM 269 C4L TOP 1 1 23.946 26.232 13.400 0.00 1.00 -ATOM 270 C4M TOP 1 1 23.946 26.232 16.750 0.00 1.00 -ATOM 271 C4N TOP 1 1 22.718 28.359 10.050 0.00 1.00 -ATOM 272 C4O TOP 1 1 22.718 28.359 13.400 0.00 1.00 -ATOM 273 C4P TOP 1 1 22.718 28.359 16.750 0.00 1.00 -ATOM 274 C4Q TOP 1 1 21.490 0.709 10.050 0.00 1.00 -ATOM 275 C4R TOP 1 1 21.490 0.709 13.400 0.00 1.00 -ATOM 276 C4S TOP 1 1 21.490 0.709 16.750 0.00 1.00 -ATOM 277 C4T TOP 1 1 20.262 2.836 10.050 0.00 1.00 -ATOM 278 C4U TOP 1 1 20.262 2.836 13.400 0.00 1.00 -ATOM 279 C4V TOP 1 1 20.262 2.836 16.750 0.00 1.00 -ATOM 280 C4W TOP 1 1 19.034 4.963 10.050 0.00 1.00 -ATOM 281 C4X TOP 1 1 19.034 4.963 13.400 0.00 1.00 -ATOM 282 C4Y TOP 1 1 19.034 4.963 16.750 0.00 1.00 -ATOM 283 C4Z TOP 1 1 17.806 7.090 10.050 0.00 1.00 -ATOM 284 C4a TOP 1 1 17.806 7.090 13.400 0.00 1.00 -ATOM 285 C4b TOP 1 1 17.806 7.090 16.750 0.00 1.00 -ATOM 286 C4c TOP 1 1 16.578 9.217 10.050 0.00 1.00 -ATOM 287 C4d TOP 1 1 16.578 9.217 13.400 0.00 1.00 -ATOM 288 C4e TOP 1 1 16.578 9.217 16.750 0.00 1.00 -ATOM 289 C4f TOP 1 1 15.350 11.344 10.050 0.00 1.00 -ATOM 290 C4g TOP 1 1 15.350 11.344 13.400 0.00 1.00 -ATOM 291 C4h TOP 1 1 15.350 11.344 16.750 0.00 1.00 -ATOM 292 C4i TOP 1 1 14.122 13.471 10.050 0.00 1.00 -ATOM 293 C4j TOP 1 1 14.122 13.471 13.400 0.00 1.00 -ATOM 294 C4k TOP 1 1 14.122 13.471 16.750 0.00 1.00 -ATOM 295 C4l TOP 1 1 3.070 15.597 10.050 0.00 1.00 -ATOM 296 C4m TOP 1 1 3.070 15.597 13.400 0.00 1.00 -ATOM 297 C4n TOP 1 1 3.070 15.597 16.750 0.00 1.00 -ATOM 298 C4o TOP 1 1 1.842 17.724 10.050 0.00 1.00 -ATOM 299 C4p TOP 1 1 1.842 17.724 13.400 0.00 1.00 -ATOM 300 C4q TOP 1 1 1.842 17.724 16.750 0.00 1.00 -ATOM 301 C4r TOP 1 1 0.614 19.851 10.050 0.00 1.00 -ATOM 302 C4s TOP 1 1 0.614 19.851 13.400 0.00 1.00 -ATOM 303 C4t TOP 1 1 0.614 19.851 16.750 0.00 1.00 -ATOM 304 C4u TOP 1 1 28.858 21.978 10.050 0.00 1.00 -ATOM 305 C4v TOP 1 1 28.858 21.978 13.400 0.00 1.00 -ATOM 306 C4w TOP 1 1 28.858 21.978 16.750 0.00 1.00 -ATOM 307 C4x TOP 1 1 27.630 24.105 10.050 0.00 1.00 -ATOM 308 C4y TOP 1 1 27.630 24.105 13.400 0.00 1.00 -ATOM 309 C4z TOP 1 1 27.630 24.105 16.750 0.00 1.00 -ATOM 310 C50 TOP 1 1 26.402 26.232 10.050 0.00 1.00 -ATOM 311 C51 TOP 1 1 26.402 26.232 13.400 0.00 1.00 -ATOM 312 C52 TOP 1 1 26.402 26.232 16.750 0.00 1.00 -ATOM 313 C53 TOP 1 1 25.174 28.359 10.050 0.00 1.00 -ATOM 314 C54 TOP 1 1 25.174 28.359 13.400 0.00 1.00 -ATOM 315 C55 TOP 1 1 25.174 28.359 16.750 0.00 1.00 -ATOM 316 C56 TOP 1 1 23.946 0.709 10.050 0.00 1.00 -ATOM 317 C57 TOP 1 1 23.946 0.709 13.400 0.00 1.00 -ATOM 318 C58 TOP 1 1 23.946 0.709 16.750 0.00 1.00 -ATOM 319 C59 TOP 1 1 22.718 2.836 10.050 0.00 1.00 -ATOM 320 C5A TOP 1 1 22.718 2.836 13.400 0.00 1.00 -ATOM 321 C5B TOP 1 1 22.718 2.836 16.750 0.00 1.00 -ATOM 322 C5C TOP 1 1 21.490 4.963 10.050 0.00 1.00 -ATOM 323 C5D TOP 1 1 21.490 4.963 13.400 0.00 1.00 -ATOM 324 C5E TOP 1 1 21.490 4.963 16.750 0.00 1.00 -ATOM 325 C5F TOP 1 1 20.262 7.090 10.050 0.00 1.00 -ATOM 326 C5G TOP 1 1 20.262 7.090 13.400 0.00 1.00 -ATOM 327 C5H TOP 1 1 20.262 7.090 16.750 0.00 1.00 -ATOM 328 C5I TOP 1 1 19.034 9.217 10.050 0.00 1.00 -ATOM 329 C5J TOP 1 1 19.034 9.217 13.400 0.00 1.00 -ATOM 330 C5K TOP 1 1 19.034 9.217 16.750 0.00 1.00 -ATOM 331 C5L TOP 1 1 17.806 11.344 10.050 0.00 1.00 -ATOM 332 C5M TOP 1 1 17.806 11.344 13.400 0.00 1.00 -ATOM 333 C5N TOP 1 1 17.806 11.344 16.750 0.00 1.00 -ATOM 334 C5O TOP 1 1 16.578 13.471 10.050 0.00 1.00 -ATOM 335 C5P TOP 1 1 16.578 13.471 13.400 0.00 1.00 -ATOM 336 C5Q TOP 1 1 16.578 13.471 16.750 0.00 1.00 -ATOM 337 C5R TOP 1 1 5.526 15.597 10.050 0.00 1.00 -ATOM 338 C5S TOP 1 1 5.526 15.597 13.400 0.00 1.00 -ATOM 339 C5T TOP 1 1 5.526 15.597 16.750 0.00 1.00 -ATOM 340 C5U TOP 1 1 4.298 17.724 10.050 0.00 1.00 -ATOM 341 C5V TOP 1 1 4.298 17.724 13.400 0.00 1.00 -ATOM 342 C5W TOP 1 1 4.298 17.724 16.750 0.00 1.00 -ATOM 343 C5X TOP 1 1 3.070 19.851 10.050 0.00 1.00 -ATOM 344 C5Y TOP 1 1 3.070 19.851 13.400 0.00 1.00 -ATOM 345 C5Z TOP 1 1 3.070 19.851 16.750 0.00 1.00 -ATOM 346 C5a TOP 1 1 1.842 21.978 10.050 0.00 1.00 -ATOM 347 C5b TOP 1 1 1.842 21.978 13.400 0.00 1.00 -ATOM 348 C5c TOP 1 1 1.842 21.978 16.750 0.00 1.00 -ATOM 349 C5d TOP 1 1 0.614 24.105 10.050 0.00 1.00 -ATOM 350 C5e TOP 1 1 0.614 24.105 13.400 0.00 1.00 -ATOM 351 C5f TOP 1 1 0.614 24.105 16.750 0.00 1.00 -ATOM 352 C5g TOP 1 1 28.858 26.232 10.050 0.00 1.00 -ATOM 353 C5h TOP 1 1 28.858 26.232 13.400 0.00 1.00 -ATOM 354 C5i TOP 1 1 28.858 26.232 16.750 0.00 1.00 -ATOM 355 C5j TOP 1 1 27.630 28.359 10.050 0.00 1.00 -ATOM 356 C5k TOP 1 1 27.630 28.359 13.400 0.00 1.00 -ATOM 357 C5l TOP 1 1 27.630 28.359 16.750 0.00 1.00 -ATOM 358 C5m TOP 1 1 26.402 0.709 10.050 0.00 1.00 -ATOM 359 C5n TOP 1 1 26.402 0.709 13.400 0.00 1.00 -ATOM 360 C5o TOP 1 1 26.402 0.709 16.750 0.00 1.00 -ATOM 361 C5p TOP 1 1 25.174 2.836 10.050 0.00 1.00 -ATOM 362 C5q TOP 1 1 25.174 2.836 13.400 0.00 1.00 -ATOM 363 C5r TOP 1 1 25.174 2.836 16.750 0.00 1.00 -ATOM 364 C5s TOP 1 1 23.946 4.963 10.050 0.00 1.00 -ATOM 365 C5t TOP 1 1 23.946 4.963 13.400 0.00 1.00 -ATOM 366 C5u TOP 1 1 23.946 4.963 16.750 0.00 1.00 -ATOM 367 C5v TOP 1 1 22.718 7.090 10.050 0.00 1.00 -ATOM 368 C5w TOP 1 1 22.718 7.090 13.400 0.00 1.00 -ATOM 369 C5x TOP 1 1 22.718 7.090 16.750 0.00 1.00 -ATOM 370 C5y TOP 1 1 21.490 9.217 10.050 0.00 1.00 -ATOM 371 C5z TOP 1 1 21.490 9.217 13.400 0.00 1.00 -ATOM 372 C60 TOP 1 1 21.490 9.217 16.750 0.00 1.00 -ATOM 373 C61 TOP 1 1 20.262 11.344 10.050 0.00 1.00 -ATOM 374 C62 TOP 1 1 20.262 11.344 13.400 0.00 1.00 -ATOM 375 C63 TOP 1 1 20.262 11.344 16.750 0.00 1.00 -ATOM 376 C64 TOP 1 1 19.034 13.471 10.050 0.00 1.00 -ATOM 377 C65 TOP 1 1 19.034 13.471 13.400 0.00 1.00 -ATOM 378 C66 TOP 1 1 19.034 13.471 16.750 0.00 1.00 -ATOM 379 C67 TOP 1 1 7.982 15.597 10.050 0.00 1.00 -ATOM 380 C68 TOP 1 1 7.982 15.597 13.400 0.00 1.00 -ATOM 381 C69 TOP 1 1 7.982 15.597 16.750 0.00 1.00 -ATOM 382 C6A TOP 1 1 6.754 17.724 10.050 0.00 1.00 -ATOM 383 C6B TOP 1 1 6.754 17.724 13.400 0.00 1.00 -ATOM 384 C6C TOP 1 1 6.754 17.724 16.750 0.00 1.00 -ATOM 385 C6D TOP 1 1 5.526 19.851 10.050 0.00 1.00 -ATOM 386 C6E TOP 1 1 5.526 19.851 13.400 0.00 1.00 -ATOM 387 C6F TOP 1 1 5.526 19.851 16.750 0.00 1.00 -ATOM 388 C6G TOP 1 1 4.298 21.978 10.050 0.00 1.00 -ATOM 389 C6H TOP 1 1 4.298 21.978 13.400 0.00 1.00 -ATOM 390 C6I TOP 1 1 4.298 21.978 16.750 0.00 1.00 -ATOM 391 C6J TOP 1 1 3.070 24.105 10.050 0.00 1.00 -ATOM 392 C6K TOP 1 1 3.070 24.105 13.400 0.00 1.00 -ATOM 393 C6L TOP 1 1 3.070 24.105 16.750 0.00 1.00 -ATOM 394 C6M TOP 1 1 1.842 26.232 10.050 0.00 1.00 -ATOM 395 C6N TOP 1 1 1.842 26.232 13.400 0.00 1.00 -ATOM 396 C6O TOP 1 1 1.842 26.232 16.750 0.00 1.00 -ATOM 397 C6P TOP 1 1 0.614 28.359 10.050 0.00 1.00 -ATOM 398 C6Q TOP 1 1 0.614 28.359 13.400 0.00 1.00 -ATOM 399 C6R TOP 1 1 0.614 28.359 16.750 0.00 1.00 -ATOM 400 C6S TOP 1 1 28.858 0.709 10.050 0.00 1.00 -ATOM 401 C6T TOP 1 1 28.858 0.709 13.400 0.00 1.00 -ATOM 402 C6U TOP 1 1 28.858 0.709 16.750 0.00 1.00 -ATOM 403 C6V TOP 1 1 27.630 2.836 10.050 0.00 1.00 -ATOM 404 C6W TOP 1 1 27.630 2.836 13.400 0.00 1.00 -ATOM 405 C6X TOP 1 1 27.630 2.836 16.750 0.00 1.00 -ATOM 406 C6Y TOP 1 1 26.402 4.963 10.050 0.00 1.00 -ATOM 407 C6Z TOP 1 1 26.402 4.963 13.400 0.00 1.00 -ATOM 408 C6a TOP 1 1 26.402 4.963 16.750 0.00 1.00 -ATOM 409 C6b TOP 1 1 25.174 7.090 10.050 0.00 1.00 -ATOM 410 C6c TOP 1 1 25.174 7.090 13.400 0.00 1.00 -ATOM 411 C6d TOP 1 1 25.174 7.090 16.750 0.00 1.00 -ATOM 412 C6e TOP 1 1 23.946 9.217 10.050 0.00 1.00 -ATOM 413 C6f TOP 1 1 23.946 9.217 13.400 0.00 1.00 -ATOM 414 C6g TOP 1 1 23.946 9.217 16.750 0.00 1.00 -ATOM 415 C6h TOP 1 1 22.718 11.344 10.050 0.00 1.00 -ATOM 416 C6i TOP 1 1 22.718 11.344 13.400 0.00 1.00 -ATOM 417 C6j TOP 1 1 22.718 11.344 16.750 0.00 1.00 -ATOM 418 C6k TOP 1 1 21.490 13.471 10.050 0.00 1.00 -ATOM 419 C6l TOP 1 1 21.490 13.471 13.400 0.00 1.00 -ATOM 420 C6m TOP 1 1 21.490 13.471 16.750 0.00 1.00 -ATOM 421 C6n TOP 1 1 10.438 15.597 10.050 0.00 1.00 -ATOM 422 C6o TOP 1 1 10.438 15.597 13.400 0.00 1.00 -ATOM 423 C6p TOP 1 1 10.438 15.597 16.750 0.00 1.00 -ATOM 424 C6q TOP 1 1 9.210 17.724 10.050 0.00 1.00 -ATOM 425 C6r TOP 1 1 9.210 17.724 13.400 0.00 1.00 -ATOM 426 C6s TOP 1 1 9.210 17.724 16.750 0.00 1.00 -ATOM 427 C6t TOP 1 1 7.982 19.851 10.050 0.00 1.00 -ATOM 428 C6u TOP 1 1 7.982 19.851 13.400 0.00 1.00 -ATOM 429 C6v TOP 1 1 7.982 19.851 16.750 0.00 1.00 -ATOM 430 C6w TOP 1 1 6.754 21.978 10.050 0.00 1.00 -ATOM 431 C6x TOP 1 1 6.754 21.978 13.400 0.00 1.00 -ATOM 432 C6y TOP 1 1 6.754 21.978 16.750 0.00 1.00 -ATOM 433 C6z TOP 1 1 5.526 24.105 10.050 0.00 1.00 -ATOM 434 C70 TOP 1 1 5.526 24.105 13.400 0.00 1.00 -ATOM 435 C71 TOP 1 1 5.526 24.105 16.750 0.00 1.00 -ATOM 436 C72 TOP 1 1 4.298 26.232 10.050 0.00 1.00 -ATOM 437 C73 TOP 1 1 4.298 26.232 13.400 0.00 1.00 -ATOM 438 C74 TOP 1 1 4.298 26.232 16.750 0.00 1.00 -ATOM 439 C75 TOP 1 1 3.070 28.359 10.050 0.00 1.00 -ATOM 440 C76 TOP 1 1 3.070 28.359 13.400 0.00 1.00 -ATOM 441 C77 TOP 1 1 3.070 28.359 16.750 0.00 1.00 -ATOM 442 C78 TOP 1 1 1.842 0.709 10.050 0.00 1.00 -ATOM 443 C79 TOP 1 1 1.842 0.709 13.400 0.00 1.00 -ATOM 444 C7A TOP 1 1 1.842 0.709 16.750 0.00 1.00 -ATOM 445 C7B TOP 1 1 0.614 2.836 10.050 0.00 1.00 -ATOM 446 C7C TOP 1 1 0.614 2.836 13.400 0.00 1.00 -ATOM 447 C7D TOP 1 1 0.614 2.836 16.750 0.00 1.00 -ATOM 448 C7E TOP 1 1 28.858 4.963 10.050 0.00 1.00 -ATOM 449 C7F TOP 1 1 28.858 4.963 13.400 0.00 1.00 -ATOM 450 C7G TOP 1 1 28.858 4.963 16.750 0.00 1.00 -ATOM 451 C7H TOP 1 1 27.630 7.090 10.050 0.00 1.00 -ATOM 452 C7I TOP 1 1 27.630 7.090 13.400 0.00 1.00 -ATOM 453 C7J TOP 1 1 27.630 7.090 16.750 0.00 1.00 -ATOM 454 C7K TOP 1 1 26.402 9.217 10.050 0.00 1.00 -ATOM 455 C7L TOP 1 1 26.402 9.217 13.400 0.00 1.00 -ATOM 456 C7M TOP 1 1 26.402 9.217 16.750 0.00 1.00 -ATOM 457 C7N TOP 1 1 25.174 11.344 10.050 0.00 1.00 -ATOM 458 C7O TOP 1 1 25.174 11.344 13.400 0.00 1.00 -ATOM 459 C7P TOP 1 1 25.174 11.344 16.750 0.00 1.00 -ATOM 460 C7Q TOP 1 1 23.946 13.471 10.050 0.00 1.00 -ATOM 461 C7R TOP 1 1 23.946 13.471 13.400 0.00 1.00 -ATOM 462 C7S TOP 1 1 23.946 13.471 16.750 0.00 1.00 -ATOM 463 C7T TOP 1 1 12.894 15.597 10.050 0.00 1.00 -ATOM 464 C7U TOP 1 1 12.894 15.597 13.400 0.00 1.00 -ATOM 465 C7V TOP 1 1 12.894 15.597 16.750 0.00 1.00 -ATOM 466 C7W TOP 1 1 11.666 17.724 10.050 0.00 1.00 -ATOM 467 C7X TOP 1 1 11.666 17.724 13.400 0.00 1.00 -ATOM 468 C7Y TOP 1 1 11.666 17.724 16.750 0.00 1.00 -ATOM 469 C7Z TOP 1 1 10.438 19.851 10.050 0.00 1.00 -ATOM 470 C7a TOP 1 1 10.438 19.851 13.400 0.00 1.00 -ATOM 471 C7b TOP 1 1 10.438 19.851 16.750 0.00 1.00 -ATOM 472 C7c TOP 1 1 9.210 21.978 10.050 0.00 1.00 -ATOM 473 C7d TOP 1 1 9.210 21.978 13.400 0.00 1.00 -ATOM 474 C7e TOP 1 1 9.210 21.978 16.750 0.00 1.00 -ATOM 475 C7f TOP 1 1 7.982 24.105 10.050 0.00 1.00 -ATOM 476 C7g TOP 1 1 7.982 24.105 13.400 0.00 1.00 -ATOM 477 C7h TOP 1 1 7.982 24.105 16.750 0.00 1.00 -ATOM 478 C7i TOP 1 1 6.754 26.232 10.050 0.00 1.00 -ATOM 479 C7j TOP 1 1 6.754 26.232 13.400 0.00 1.00 -ATOM 480 C7k TOP 1 1 6.754 26.232 16.750 0.00 1.00 -ATOM 481 C7l TOP 1 1 5.526 28.359 10.050 0.00 1.00 -ATOM 482 C7m TOP 1 1 5.526 28.359 13.400 0.00 1.00 -ATOM 483 C7n TOP 1 1 5.526 28.359 16.750 0.00 1.00 -ATOM 484 C7o TOP 1 1 4.298 0.709 10.050 0.00 1.00 -ATOM 485 C7p TOP 1 1 4.298 0.709 13.400 0.00 1.00 -ATOM 486 C7q TOP 1 1 4.298 0.709 16.750 0.00 1.00 -ATOM 487 C7r TOP 1 1 3.070 2.836 10.050 0.00 1.00 -ATOM 488 C7s TOP 1 1 3.070 2.836 13.400 0.00 1.00 -ATOM 489 C7t TOP 1 1 3.070 2.836 16.750 0.00 1.00 -ATOM 490 C7u TOP 1 1 1.842 4.963 10.050 0.00 1.00 -ATOM 491 C7v TOP 1 1 1.842 4.963 13.400 0.00 1.00 -ATOM 492 C7w TOP 1 1 1.842 4.963 16.750 0.00 1.00 -ATOM 493 C7x TOP 1 1 0.614 7.090 10.050 0.00 1.00 -ATOM 494 C7y TOP 1 1 0.614 7.090 13.400 0.00 1.00 -ATOM 495 C7z TOP 1 1 0.614 7.090 16.750 0.00 1.00 -ATOM 496 C80 TOP 1 1 28.858 9.217 10.050 0.00 1.00 -ATOM 497 C81 TOP 1 1 28.858 9.217 13.400 0.00 1.00 -ATOM 498 C82 TOP 1 1 28.858 9.217 16.750 0.00 1.00 -ATOM 499 C83 TOP 1 1 27.630 11.344 10.050 0.00 1.00 -ATOM 500 C84 TOP 1 1 27.630 11.344 13.400 0.00 1.00 -ATOM 501 C85 TOP 1 1 27.630 11.344 16.750 0.00 1.00 -ATOM 502 C86 TOP 1 1 26.402 13.471 10.050 0.00 1.00 -ATOM 503 C87 TOP 1 1 26.402 13.471 13.400 0.00 1.00 -ATOM 504 C88 TOP 1 1 26.402 13.471 16.750 0.00 1.00 -ATOM 505 C89 TOP 1 1 16.578 16.306 10.050 0.00 1.00 -ATOM 506 C8A TOP 1 1 16.578 16.306 13.400 0.00 1.00 -ATOM 507 C8B TOP 1 1 16.578 16.306 16.750 0.00 1.00 -ATOM 508 C8C TOP 1 1 15.350 18.433 10.050 0.00 1.00 -ATOM 509 C8D TOP 1 1 15.350 18.433 13.400 0.00 1.00 -ATOM 510 C8E TOP 1 1 15.350 18.433 16.750 0.00 1.00 -ATOM 511 C8F TOP 1 1 14.122 20.560 10.050 0.00 1.00 -ATOM 512 C8G TOP 1 1 14.122 20.560 13.400 0.00 1.00 -ATOM 513 C8H TOP 1 1 14.122 20.560 16.750 0.00 1.00 -ATOM 514 C8I TOP 1 1 12.894 22.687 10.050 0.00 1.00 -ATOM 515 C8J TOP 1 1 12.894 22.687 13.400 0.00 1.00 -ATOM 516 C8K TOP 1 1 12.894 22.687 16.750 0.00 1.00 -ATOM 517 C8L TOP 1 1 11.666 24.814 10.050 0.00 1.00 -ATOM 518 C8M TOP 1 1 11.666 24.814 13.400 0.00 1.00 -ATOM 519 C8N TOP 1 1 11.666 24.814 16.750 0.00 1.00 -ATOM 520 C8O TOP 1 1 10.438 26.941 10.050 0.00 1.00 -ATOM 521 C8P TOP 1 1 10.438 26.941 13.400 0.00 1.00 -ATOM 522 C8Q TOP 1 1 10.438 26.941 16.750 0.00 1.00 -ATOM 523 C8R TOP 1 1 9.210 29.068 10.050 0.00 1.00 -ATOM 524 C8S TOP 1 1 9.210 29.068 13.400 0.00 1.00 -ATOM 525 C8T TOP 1 1 9.210 29.068 16.750 0.00 1.00 -ATOM 526 C8U TOP 1 1 7.982 1.418 10.050 0.00 1.00 -ATOM 527 C8V TOP 1 1 7.982 1.418 13.400 0.00 1.00 -ATOM 528 C8W TOP 1 1 7.982 1.418 16.750 0.00 1.00 -ATOM 529 C8X TOP 1 1 6.754 3.545 10.050 0.00 1.00 -ATOM 530 C8Y TOP 1 1 6.754 3.545 13.400 0.00 1.00 -ATOM 531 C8Z TOP 1 1 6.754 3.545 16.750 0.00 1.00 -ATOM 532 C8a TOP 1 1 5.526 5.672 10.050 0.00 1.00 -ATOM 533 C8b TOP 1 1 5.526 5.672 13.400 0.00 1.00 -ATOM 534 C8c TOP 1 1 5.526 5.672 16.750 0.00 1.00 -ATOM 535 C8d TOP 1 1 4.298 7.799 10.050 0.00 1.00 -ATOM 536 C8e TOP 1 1 4.298 7.799 13.400 0.00 1.00 -ATOM 537 C8f TOP 1 1 4.298 7.799 16.750 0.00 1.00 -ATOM 538 C8g TOP 1 1 3.070 9.926 10.050 0.00 1.00 -ATOM 539 C8h TOP 1 1 3.070 9.926 13.400 0.00 1.00 -ATOM 540 C8i TOP 1 1 3.070 9.926 16.750 0.00 1.00 -ATOM 541 C8j TOP 1 1 1.842 12.053 10.050 0.00 1.00 -ATOM 542 C8k TOP 1 1 1.842 12.053 13.400 0.00 1.00 -ATOM 543 C8l TOP 1 1 1.842 12.053 16.750 0.00 1.00 -ATOM 544 C8m TOP 1 1 0.614 14.180 10.050 0.00 1.00 -ATOM 545 C8n TOP 1 1 0.614 14.180 13.400 0.00 1.00 -ATOM 546 C8o TOP 1 1 0.614 14.180 16.750 0.00 1.00 -ATOM 547 C8p TOP 1 1 19.034 16.306 10.050 0.00 1.00 -ATOM 548 C8q TOP 1 1 19.034 16.306 13.400 0.00 1.00 -ATOM 549 C8r TOP 1 1 19.034 16.306 16.750 0.00 1.00 -ATOM 550 C8s TOP 1 1 17.806 18.433 10.050 0.00 1.00 -ATOM 551 C8t TOP 1 1 17.806 18.433 13.400 0.00 1.00 -ATOM 552 C8u TOP 1 1 17.806 18.433 16.750 0.00 1.00 -ATOM 553 C8v TOP 1 1 16.578 20.560 10.050 0.00 1.00 -ATOM 554 C8w TOP 1 1 16.578 20.560 13.400 0.00 1.00 -ATOM 555 C8x TOP 1 1 16.578 20.560 16.750 0.00 1.00 -ATOM 556 C8y TOP 1 1 15.350 22.687 10.050 0.00 1.00 -ATOM 557 C8z TOP 1 1 15.350 22.687 13.400 0.00 1.00 -ATOM 558 C90 TOP 1 1 15.350 22.687 16.750 0.00 1.00 -ATOM 559 C91 TOP 1 1 14.122 24.814 10.050 0.00 1.00 -ATOM 560 C92 TOP 1 1 14.122 24.814 13.400 0.00 1.00 -ATOM 561 C93 TOP 1 1 14.122 24.814 16.750 0.00 1.00 -ATOM 562 C94 TOP 1 1 12.894 26.941 10.050 0.00 1.00 -ATOM 563 C95 TOP 1 1 12.894 26.941 13.400 0.00 1.00 -ATOM 564 C96 TOP 1 1 12.894 26.941 16.750 0.00 1.00 -ATOM 565 C97 TOP 1 1 11.666 29.068 10.050 0.00 1.00 -ATOM 566 C98 TOP 1 1 11.666 29.068 13.400 0.00 1.00 -ATOM 567 C99 TOP 1 1 11.666 29.068 16.750 0.00 1.00 -ATOM 568 C9A TOP 1 1 10.438 1.418 10.050 0.00 1.00 -ATOM 569 C9B TOP 1 1 10.438 1.418 13.400 0.00 1.00 -ATOM 570 C9C TOP 1 1 10.438 1.418 16.750 0.00 1.00 -ATOM 571 C9D TOP 1 1 9.210 3.545 10.050 0.00 1.00 -ATOM 572 C9E TOP 1 1 9.210 3.545 13.400 0.00 1.00 -ATOM 573 C9F TOP 1 1 9.210 3.545 16.750 0.00 1.00 -ATOM 574 C9G TOP 1 1 7.982 5.672 10.050 0.00 1.00 -ATOM 575 C9H TOP 1 1 7.982 5.672 13.400 0.00 1.00 -ATOM 576 C9I TOP 1 1 7.982 5.672 16.750 0.00 1.00 -ATOM 577 C9J TOP 1 1 6.754 7.799 10.050 0.00 1.00 -ATOM 578 C9K TOP 1 1 6.754 7.799 13.400 0.00 1.00 -ATOM 579 C9L TOP 1 1 6.754 7.799 16.750 0.00 1.00 -ATOM 580 C9M TOP 1 1 5.526 9.926 10.050 0.00 1.00 -ATOM 581 C9N TOP 1 1 5.526 9.926 13.400 0.00 1.00 -ATOM 582 C9O TOP 1 1 5.526 9.926 16.750 0.00 1.00 -ATOM 583 C9P TOP 1 1 4.298 12.053 10.050 0.00 1.00 -ATOM 584 C9Q TOP 1 1 4.298 12.053 13.400 0.00 1.00 -ATOM 585 C9R TOP 1 1 4.298 12.053 16.750 0.00 1.00 -ATOM 586 C9S TOP 1 1 3.070 14.180 10.050 0.00 1.00 -ATOM 587 C9T TOP 1 1 3.070 14.180 13.400 0.00 1.00 -ATOM 588 C9U TOP 1 1 3.070 14.180 16.750 0.00 1.00 -ATOM 589 C9V TOP 1 1 21.490 16.306 10.050 0.00 1.00 -ATOM 590 C9W TOP 1 1 21.490 16.306 13.400 0.00 1.00 -ATOM 591 C9X TOP 1 1 21.490 16.306 16.750 0.00 1.00 -ATOM 592 C9Y TOP 1 1 20.262 18.433 10.050 0.00 1.00 -ATOM 593 C9Z TOP 1 1 20.262 18.433 13.400 0.00 1.00 -ATOM 594 C9a TOP 1 1 20.262 18.433 16.750 0.00 1.00 -ATOM 595 C9b TOP 1 1 19.034 20.560 10.050 0.00 1.00 -ATOM 596 C9c TOP 1 1 19.034 20.560 13.400 0.00 1.00 -ATOM 597 C9d TOP 1 1 19.034 20.560 16.750 0.00 1.00 -ATOM 598 C9e TOP 1 1 17.806 22.687 10.050 0.00 1.00 -ATOM 599 C9f TOP 1 1 17.806 22.687 13.400 0.00 1.00 -ATOM 600 C9g TOP 1 1 17.806 22.687 16.750 0.00 1.00 -ATOM 601 C9h TOP 1 1 16.578 24.814 10.050 0.00 1.00 -ATOM 602 C9i TOP 1 1 16.578 24.814 13.400 0.00 1.00 -ATOM 603 C9j TOP 1 1 16.578 24.814 16.750 0.00 1.00 -ATOM 604 C9k TOP 1 1 15.350 26.941 10.050 0.00 1.00 -ATOM 605 C9l TOP 1 1 15.350 26.941 13.400 0.00 1.00 -ATOM 606 C9m TOP 1 1 15.350 26.941 16.750 0.00 1.00 -ATOM 607 C9n TOP 1 1 14.122 29.068 10.050 0.00 1.00 -ATOM 608 C9o TOP 1 1 14.122 29.068 13.400 0.00 1.00 -ATOM 609 C9p TOP 1 1 14.122 29.068 16.750 0.00 1.00 -ATOM 610 C9q TOP 1 1 12.894 1.418 10.050 0.00 1.00 -ATOM 611 C9r TOP 1 1 12.894 1.418 13.400 0.00 1.00 -ATOM 612 C9s TOP 1 1 12.894 1.418 16.750 0.00 1.00 -ATOM 613 C9t TOP 1 1 11.666 3.545 10.050 0.00 1.00 -ATOM 614 C9u TOP 1 1 11.666 3.545 13.400 0.00 1.00 -ATOM 615 C9v TOP 1 1 11.666 3.545 16.750 0.00 1.00 -ATOM 616 C9w TOP 1 1 10.438 5.672 10.050 0.00 1.00 -ATOM 617 C9x TOP 1 1 10.438 5.672 13.400 0.00 1.00 -ATOM 618 C9y TOP 1 1 10.438 5.672 16.750 0.00 1.00 -ATOM 619 C9z TOP 1 1 9.210 7.799 10.050 0.00 1.00 -ATOM 620 CA0 TOP 1 1 9.210 7.799 13.400 0.00 1.00 -ATOM 621 CA1 TOP 1 1 9.210 7.799 16.750 0.00 1.00 -ATOM 622 CA2 TOP 1 1 7.982 9.926 10.050 0.00 1.00 -ATOM 623 CA3 TOP 1 1 7.982 9.926 13.400 0.00 1.00 -ATOM 624 CA4 TOP 1 1 7.982 9.926 16.750 0.00 1.00 -ATOM 625 CA5 TOP 1 1 6.754 12.053 10.050 0.00 1.00 -ATOM 626 CA6 TOP 1 1 6.754 12.053 13.400 0.00 1.00 -ATOM 627 CA7 TOP 1 1 6.754 12.053 16.750 0.00 1.00 -ATOM 628 CA8 TOP 1 1 5.526 14.180 10.050 0.00 1.00 -ATOM 629 CA9 TOP 1 1 5.526 14.180 13.400 0.00 1.00 -ATOM 630 CAA TOP 1 1 5.526 14.180 16.750 0.00 1.00 -ATOM 631 CAB TOP 1 1 23.946 16.306 10.050 0.00 1.00 -ATOM 632 CAC TOP 1 1 23.946 16.306 13.400 0.00 1.00 -ATOM 633 CAD TOP 1 1 23.946 16.306 16.750 0.00 1.00 -ATOM 634 CAE TOP 1 1 22.718 18.433 10.050 0.00 1.00 -ATOM 635 CAF TOP 1 1 22.718 18.433 13.400 0.00 1.00 -ATOM 636 CAG TOP 1 1 22.718 18.433 16.750 0.00 1.00 -ATOM 637 CAH TOP 1 1 21.490 20.560 10.050 0.00 1.00 -ATOM 638 CAI TOP 1 1 21.490 20.560 13.400 0.00 1.00 -ATOM 639 CAJ TOP 1 1 21.490 20.560 16.750 0.00 1.00 -ATOM 640 CAK TOP 1 1 20.262 22.687 10.050 0.00 1.00 -ATOM 641 CAL TOP 1 1 20.262 22.687 13.400 0.00 1.00 -ATOM 642 CAM TOP 1 1 20.262 22.687 16.750 0.00 1.00 -ATOM 643 CAN TOP 1 1 19.034 24.814 10.050 0.00 1.00 -ATOM 644 CAO TOP 1 1 19.034 24.814 13.400 0.00 1.00 -ATOM 645 CAP TOP 1 1 19.034 24.814 16.750 0.00 1.00 -ATOM 646 CAQ TOP 1 1 17.806 26.941 10.050 0.00 1.00 -ATOM 647 CAR TOP 1 1 17.806 26.941 13.400 0.00 1.00 -ATOM 648 CAS TOP 1 1 17.806 26.941 16.750 0.00 1.00 -ATOM 649 CAT TOP 1 1 16.578 29.068 10.050 0.00 1.00 -ATOM 650 CAU TOP 1 1 16.578 29.068 13.400 0.00 1.00 -ATOM 651 CAV TOP 1 1 16.578 29.068 16.750 0.00 1.00 -ATOM 652 CAW TOP 1 1 15.350 1.418 10.050 0.00 1.00 -ATOM 653 CAX TOP 1 1 15.350 1.418 13.400 0.00 1.00 -ATOM 654 CAY TOP 1 1 15.350 1.418 16.750 0.00 1.00 -ATOM 655 CAZ TOP 1 1 14.122 3.545 10.050 0.00 1.00 -ATOM 656 CAa TOP 1 1 14.122 3.545 13.400 0.00 1.00 -ATOM 657 CAb TOP 1 1 14.122 3.545 16.750 0.00 1.00 -ATOM 658 CAc TOP 1 1 12.894 5.672 10.050 0.00 1.00 -ATOM 659 CAd TOP 1 1 12.894 5.672 13.400 0.00 1.00 -ATOM 660 CAe TOP 1 1 12.894 5.672 16.750 0.00 1.00 -ATOM 661 CAf TOP 1 1 11.666 7.799 10.050 0.00 1.00 -ATOM 662 CAg TOP 1 1 11.666 7.799 13.400 0.00 1.00 -ATOM 663 CAh TOP 1 1 11.666 7.799 16.750 0.00 1.00 -ATOM 664 CAi TOP 1 1 10.438 9.926 10.050 0.00 1.00 -ATOM 665 CAj TOP 1 1 10.438 9.926 13.400 0.00 1.00 -ATOM 666 CAk TOP 1 1 10.438 9.926 16.750 0.00 1.00 -ATOM 667 CAl TOP 1 1 9.210 12.053 10.050 0.00 1.00 -ATOM 668 CAm TOP 1 1 9.210 12.053 13.400 0.00 1.00 -ATOM 669 CAn TOP 1 1 9.210 12.053 16.750 0.00 1.00 -ATOM 670 CAo TOP 1 1 7.982 14.180 10.050 0.00 1.00 -ATOM 671 CAp TOP 1 1 7.982 14.180 13.400 0.00 1.00 -ATOM 672 CAq TOP 1 1 7.982 14.180 16.750 0.00 1.00 -ATOM 673 CAr TOP 1 1 26.402 16.306 10.050 0.00 1.00 -ATOM 674 CAs TOP 1 1 26.402 16.306 13.400 0.00 1.00 -ATOM 675 CAt TOP 1 1 26.402 16.306 16.750 0.00 1.00 -ATOM 676 CAu TOP 1 1 25.174 18.433 10.050 0.00 1.00 -ATOM 677 CAv TOP 1 1 25.174 18.433 13.400 0.00 1.00 -ATOM 678 CAw TOP 1 1 25.174 18.433 16.750 0.00 1.00 -ATOM 679 CAx TOP 1 1 23.946 20.560 10.050 0.00 1.00 -ATOM 680 CAy TOP 1 1 23.946 20.560 13.400 0.00 1.00 -ATOM 681 CAz TOP 1 1 23.946 20.560 16.750 0.00 1.00 -ATOM 682 CB0 TOP 1 1 22.718 22.687 10.050 0.00 1.00 -ATOM 683 CB1 TOP 1 1 22.718 22.687 13.400 0.00 1.00 -ATOM 684 CB2 TOP 1 1 22.718 22.687 16.750 0.00 1.00 -ATOM 685 CB3 TOP 1 1 21.490 24.814 10.050 0.00 1.00 -ATOM 686 CB4 TOP 1 1 21.490 24.814 13.400 0.00 1.00 -ATOM 687 CB5 TOP 1 1 21.490 24.814 16.750 0.00 1.00 -ATOM 688 CB6 TOP 1 1 20.262 26.941 10.050 0.00 1.00 -ATOM 689 CB7 TOP 1 1 20.262 26.941 13.400 0.00 1.00 -ATOM 690 CB8 TOP 1 1 20.262 26.941 16.750 0.00 1.00 -ATOM 691 CB9 TOP 1 1 19.034 29.068 10.050 0.00 1.00 -ATOM 692 CBA TOP 1 1 19.034 29.068 13.400 0.00 1.00 -ATOM 693 CBB TOP 1 1 19.034 29.068 16.750 0.00 1.00 -ATOM 694 CBC TOP 1 1 17.806 1.418 10.050 0.00 1.00 -ATOM 695 CBD TOP 1 1 17.806 1.418 13.400 0.00 1.00 -ATOM 696 CBE TOP 1 1 17.806 1.418 16.750 0.00 1.00 -ATOM 697 CBF TOP 1 1 16.578 3.545 10.050 0.00 1.00 -ATOM 698 CBG TOP 1 1 16.578 3.545 13.400 0.00 1.00 -ATOM 699 CBH TOP 1 1 16.578 3.545 16.750 0.00 1.00 -ATOM 700 CBI TOP 1 1 15.350 5.672 10.050 0.00 1.00 -ATOM 701 CBJ TOP 1 1 15.350 5.672 13.400 0.00 1.00 -ATOM 702 CBK TOP 1 1 15.350 5.672 16.750 0.00 1.00 -ATOM 703 CBL TOP 1 1 14.122 7.799 10.050 0.00 1.00 -ATOM 704 CBM TOP 1 1 14.122 7.799 13.400 0.00 1.00 -ATOM 705 CBN TOP 1 1 14.122 7.799 16.750 0.00 1.00 -ATOM 706 CBO TOP 1 1 12.894 9.926 10.050 0.00 1.00 -ATOM 707 CBP TOP 1 1 12.894 9.926 13.400 0.00 1.00 -ATOM 708 CBQ TOP 1 1 12.894 9.926 16.750 0.00 1.00 -ATOM 709 CBR TOP 1 1 11.666 12.053 10.050 0.00 1.00 -ATOM 710 CBS TOP 1 1 11.666 12.053 13.400 0.00 1.00 -ATOM 711 CBT TOP 1 1 11.666 12.053 16.750 0.00 1.00 -ATOM 712 CBU TOP 1 1 10.438 14.180 10.050 0.00 1.00 -ATOM 713 CBV TOP 1 1 10.438 14.180 13.400 0.00 1.00 -ATOM 714 CBW TOP 1 1 10.438 14.180 16.750 0.00 1.00 -ATOM 715 CBX TOP 1 1 28.858 16.306 10.050 0.00 1.00 -ATOM 716 CBY TOP 1 1 28.858 16.306 13.400 0.00 1.00 -ATOM 717 CBZ TOP 1 1 28.858 16.306 16.750 0.00 1.00 -ATOM 718 CBa TOP 1 1 27.630 18.433 10.050 0.00 1.00 -ATOM 719 CBb TOP 1 1 27.630 18.433 13.400 0.00 1.00 -ATOM 720 CBc TOP 1 1 27.630 18.433 16.750 0.00 1.00 -ATOM 721 CBd TOP 1 1 26.402 20.560 10.050 0.00 1.00 -ATOM 722 CBe TOP 1 1 26.402 20.560 13.400 0.00 1.00 -ATOM 723 CBf TOP 1 1 26.402 20.560 16.750 0.00 1.00 -ATOM 724 CBg TOP 1 1 25.174 22.687 10.050 0.00 1.00 -ATOM 725 CBh TOP 1 1 25.174 22.687 13.400 0.00 1.00 -ATOM 726 CBi TOP 1 1 25.174 22.687 16.750 0.00 1.00 -ATOM 727 CBj TOP 1 1 23.946 24.814 10.050 0.00 1.00 -ATOM 728 CBk TOP 1 1 23.946 24.814 13.400 0.00 1.00 -ATOM 729 CBl TOP 1 1 23.946 24.814 16.750 0.00 1.00 -ATOM 730 CBm TOP 1 1 22.718 26.941 10.050 0.00 1.00 -ATOM 731 CBn TOP 1 1 22.718 26.941 13.400 0.00 1.00 -ATOM 732 CBo TOP 1 1 22.718 26.941 16.750 0.00 1.00 -ATOM 733 CBp TOP 1 1 21.490 29.068 10.050 0.00 1.00 -ATOM 734 CBq TOP 1 1 21.490 29.068 13.400 0.00 1.00 -ATOM 735 CBr TOP 1 1 21.490 29.068 16.750 0.00 1.00 -ATOM 736 CBs TOP 1 1 20.262 1.418 10.050 0.00 1.00 -ATOM 737 CBt TOP 1 1 20.262 1.418 13.400 0.00 1.00 -ATOM 738 CBu TOP 1 1 20.262 1.418 16.750 0.00 1.00 -ATOM 739 CBv TOP 1 1 19.034 3.545 10.050 0.00 1.00 -ATOM 740 CBw TOP 1 1 19.034 3.545 13.400 0.00 1.00 -ATOM 741 CBx TOP 1 1 19.034 3.545 16.750 0.00 1.00 -ATOM 742 CBy TOP 1 1 17.806 5.672 10.050 0.00 1.00 -ATOM 743 CBz TOP 1 1 17.806 5.672 13.400 0.00 1.00 -ATOM 744 CC0 TOP 1 1 17.806 5.672 16.750 0.00 1.00 -ATOM 745 CC1 TOP 1 1 16.578 7.799 10.050 0.00 1.00 -ATOM 746 CC2 TOP 1 1 16.578 7.799 13.400 0.00 1.00 -ATOM 747 CC3 TOP 1 1 16.578 7.799 16.750 0.00 1.00 -ATOM 748 CC4 TOP 1 1 15.350 9.926 10.050 0.00 1.00 -ATOM 749 CC5 TOP 1 1 15.350 9.926 13.400 0.00 1.00 -ATOM 750 CC6 TOP 1 1 15.350 9.926 16.750 0.00 1.00 -ATOM 751 CC7 TOP 1 1 14.122 12.053 10.050 0.00 1.00 -ATOM 752 CC8 TOP 1 1 14.122 12.053 13.400 0.00 1.00 -ATOM 753 CC9 TOP 1 1 14.122 12.053 16.750 0.00 1.00 -ATOM 754 CCA TOP 1 1 12.894 14.180 10.050 0.00 1.00 -ATOM 755 CCB TOP 1 1 12.894 14.180 13.400 0.00 1.00 -ATOM 756 CCC TOP 1 1 12.894 14.180 16.750 0.00 1.00 -ATOM 757 CCD TOP 1 1 1.842 16.306 10.050 0.00 1.00 -ATOM 758 CCE TOP 1 1 1.842 16.306 13.400 0.00 1.00 -ATOM 759 CCF TOP 1 1 1.842 16.306 16.750 0.00 1.00 -ATOM 760 CCG TOP 1 1 0.614 18.433 10.050 0.00 1.00 -ATOM 761 CCH TOP 1 1 0.614 18.433 13.400 0.00 1.00 -ATOM 762 CCI TOP 1 1 0.614 18.433 16.750 0.00 1.00 -ATOM 763 CCJ TOP 1 1 28.858 20.560 10.050 0.00 1.00 -ATOM 764 CCK TOP 1 1 28.858 20.560 13.400 0.00 1.00 -ATOM 765 CCL TOP 1 1 28.858 20.560 16.750 0.00 1.00 -ATOM 766 CCM TOP 1 1 27.630 22.687 10.050 0.00 1.00 -ATOM 767 CCN TOP 1 1 27.630 22.687 13.400 0.00 1.00 -ATOM 768 CCO TOP 1 1 27.630 22.687 16.750 0.00 1.00 -ATOM 769 CCP TOP 1 1 26.402 24.814 10.050 0.00 1.00 -ATOM 770 CCQ TOP 1 1 26.402 24.814 13.400 0.00 1.00 -ATOM 771 CCR TOP 1 1 26.402 24.814 16.750 0.00 1.00 -ATOM 772 CCS TOP 1 1 25.174 26.941 10.050 0.00 1.00 -ATOM 773 CCT TOP 1 1 25.174 26.941 13.400 0.00 1.00 -ATOM 774 CCU TOP 1 1 25.174 26.941 16.750 0.00 1.00 -ATOM 775 CCV TOP 1 1 23.946 29.068 10.050 0.00 1.00 -ATOM 776 CCW TOP 1 1 23.946 29.068 13.400 0.00 1.00 -ATOM 777 CCX TOP 1 1 23.946 29.068 16.750 0.00 1.00 -ATOM 778 CCY TOP 1 1 22.718 1.418 10.050 0.00 1.00 -ATOM 779 CCZ TOP 1 1 22.718 1.418 13.400 0.00 1.00 -ATOM 780 CCa TOP 1 1 22.718 1.418 16.750 0.00 1.00 -ATOM 781 CCb TOP 1 1 21.490 3.545 10.050 0.00 1.00 -ATOM 782 CCc TOP 1 1 21.490 3.545 13.400 0.00 1.00 -ATOM 783 CCd TOP 1 1 21.490 3.545 16.750 0.00 1.00 -ATOM 784 CCe TOP 1 1 20.262 5.672 10.050 0.00 1.00 -ATOM 785 CCf TOP 1 1 20.262 5.672 13.400 0.00 1.00 -ATOM 786 CCg TOP 1 1 20.262 5.672 16.750 0.00 1.00 -ATOM 787 CCh TOP 1 1 19.034 7.799 10.050 0.00 1.00 -ATOM 788 CCi TOP 1 1 19.034 7.799 13.400 0.00 1.00 -ATOM 789 CCj TOP 1 1 19.034 7.799 16.750 0.00 1.00 -ATOM 790 CCk TOP 1 1 17.806 9.926 10.050 0.00 1.00 -ATOM 791 CCl TOP 1 1 17.806 9.926 13.400 0.00 1.00 -ATOM 792 CCm TOP 1 1 17.806 9.926 16.750 0.00 1.00 -ATOM 793 CCn TOP 1 1 16.578 12.053 10.050 0.00 1.00 -ATOM 794 CCo TOP 1 1 16.578 12.053 13.400 0.00 1.00 -ATOM 795 CCp TOP 1 1 16.578 12.053 16.750 0.00 1.00 -ATOM 796 CCq TOP 1 1 15.350 14.180 10.050 0.00 1.00 -ATOM 797 CCr TOP 1 1 15.350 14.180 13.400 0.00 1.00 -ATOM 798 CCs TOP 1 1 15.350 14.180 16.750 0.00 1.00 -ATOM 799 CCt TOP 1 1 4.298 16.306 10.050 0.00 1.00 -ATOM 800 CCu TOP 1 1 4.298 16.306 13.400 0.00 1.00 -ATOM 801 CCv TOP 1 1 4.298 16.306 16.750 0.00 1.00 -ATOM 802 CCw TOP 1 1 3.070 18.433 10.050 0.00 1.00 -ATOM 803 CCx TOP 1 1 3.070 18.433 13.400 0.00 1.00 -ATOM 804 CCy TOP 1 1 3.070 18.433 16.750 0.00 1.00 -ATOM 805 CCz TOP 1 1 1.842 20.560 10.050 0.00 1.00 -ATOM 806 CD0 TOP 1 1 1.842 20.560 13.400 0.00 1.00 -ATOM 807 CD1 TOP 1 1 1.842 20.560 16.750 0.00 1.00 -ATOM 808 CD2 TOP 1 1 0.614 22.687 10.050 0.00 1.00 -ATOM 809 CD3 TOP 1 1 0.614 22.687 13.400 0.00 1.00 -ATOM 810 CD4 TOP 1 1 0.614 22.687 16.750 0.00 1.00 -ATOM 811 CD5 TOP 1 1 28.858 24.814 10.050 0.00 1.00 -ATOM 812 CD6 TOP 1 1 28.858 24.814 13.400 0.00 1.00 -ATOM 813 CD7 TOP 1 1 28.858 24.814 16.750 0.00 1.00 -ATOM 814 CD8 TOP 1 1 27.630 26.941 10.050 0.00 1.00 -ATOM 815 CD9 TOP 1 1 27.630 26.941 13.400 0.00 1.00 -ATOM 816 CDA TOP 1 1 27.630 26.941 16.750 0.00 1.00 -ATOM 817 CDB TOP 1 1 26.402 29.068 10.050 0.00 1.00 -ATOM 818 CDC TOP 1 1 26.402 29.068 13.400 0.00 1.00 -ATOM 819 CDD TOP 1 1 26.402 29.068 16.750 0.00 1.00 -ATOM 820 CDE TOP 1 1 25.174 1.418 10.050 0.00 1.00 -ATOM 821 CDF TOP 1 1 25.174 1.418 13.400 0.00 1.00 -ATOM 822 CDG TOP 1 1 25.174 1.418 16.750 0.00 1.00 -ATOM 823 CDH TOP 1 1 23.946 3.545 10.050 0.00 1.00 -ATOM 824 CDI TOP 1 1 23.946 3.545 13.400 0.00 1.00 -ATOM 825 CDJ TOP 1 1 23.946 3.545 16.750 0.00 1.00 -ATOM 826 CDK TOP 1 1 22.718 5.672 10.050 0.00 1.00 -ATOM 827 CDL TOP 1 1 22.718 5.672 13.400 0.00 1.00 -ATOM 828 CDM TOP 1 1 22.718 5.672 16.750 0.00 1.00 -ATOM 829 CDN TOP 1 1 21.490 7.799 10.050 0.00 1.00 -ATOM 830 CDO TOP 1 1 21.490 7.799 13.400 0.00 1.00 -ATOM 831 CDP TOP 1 1 21.490 7.799 16.750 0.00 1.00 -ATOM 832 CDQ TOP 1 1 20.262 9.926 10.050 0.00 1.00 -ATOM 833 CDR TOP 1 1 20.262 9.926 13.400 0.00 1.00 -ATOM 834 CDS TOP 1 1 20.262 9.926 16.750 0.00 1.00 -ATOM 835 CDT TOP 1 1 19.034 12.053 10.050 0.00 1.00 -ATOM 836 CDU TOP 1 1 19.034 12.053 13.400 0.00 1.00 -ATOM 837 CDV TOP 1 1 19.034 12.053 16.750 0.00 1.00 -ATOM 838 CDW TOP 1 1 17.806 14.180 10.050 0.00 1.00 -ATOM 839 CDX TOP 1 1 17.806 14.180 13.400 0.00 1.00 -ATOM 840 CDY TOP 1 1 17.806 14.180 16.750 0.00 1.00 -ATOM 841 CDZ TOP 1 1 6.754 16.306 10.050 0.00 1.00 -ATOM 842 CDa TOP 1 1 6.754 16.306 13.400 0.00 1.00 -ATOM 843 CDb TOP 1 1 6.754 16.306 16.750 0.00 1.00 -ATOM 844 CDc TOP 1 1 5.526 18.433 10.050 0.00 1.00 -ATOM 845 CDd TOP 1 1 5.526 18.433 13.400 0.00 1.00 -ATOM 846 CDe TOP 1 1 5.526 18.433 16.750 0.00 1.00 -ATOM 847 CDf TOP 1 1 4.298 20.560 10.050 0.00 1.00 -ATOM 848 CDg TOP 1 1 4.298 20.560 13.400 0.00 1.00 -ATOM 849 CDh TOP 1 1 4.298 20.560 16.750 0.00 1.00 -ATOM 850 CDi TOP 1 1 3.070 22.687 10.050 0.00 1.00 -ATOM 851 CDj TOP 1 1 3.070 22.687 13.400 0.00 1.00 -ATOM 852 CDk TOP 1 1 3.070 22.687 16.750 0.00 1.00 -ATOM 853 CDl TOP 1 1 1.842 24.814 10.050 0.00 1.00 -ATOM 854 CDm TOP 1 1 1.842 24.814 13.400 0.00 1.00 -ATOM 855 CDn TOP 1 1 1.842 24.814 16.750 0.00 1.00 -ATOM 856 CDo TOP 1 1 0.614 26.941 10.050 0.00 1.00 -ATOM 857 CDp TOP 1 1 0.614 26.941 13.400 0.00 1.00 -ATOM 858 CDq TOP 1 1 0.614 26.941 16.750 0.00 1.00 -ATOM 859 CDr TOP 1 1 28.858 29.068 10.050 0.00 1.00 -ATOM 860 CDs TOP 1 1 28.858 29.068 13.400 0.00 1.00 -ATOM 861 CDt TOP 1 1 28.858 29.068 16.750 0.00 1.00 -ATOM 862 CDu TOP 1 1 27.630 1.418 10.050 0.00 1.00 -ATOM 863 CDv TOP 1 1 27.630 1.418 13.400 0.00 1.00 -ATOM 864 CDw TOP 1 1 27.630 1.418 16.750 0.00 1.00 -ATOM 865 CDx TOP 1 1 26.402 3.545 10.050 0.00 1.00 -ATOM 866 CDy TOP 1 1 26.402 3.545 13.400 0.00 1.00 -ATOM 867 CDz TOP 1 1 26.402 3.545 16.750 0.00 1.00 -ATOM 868 CE0 TOP 1 1 25.174 5.672 10.050 0.00 1.00 -ATOM 869 CE1 TOP 1 1 25.174 5.672 13.400 0.00 1.00 -ATOM 870 CE2 TOP 1 1 25.174 5.672 16.750 0.00 1.00 -ATOM 871 CE3 TOP 1 1 23.946 7.799 10.050 0.00 1.00 -ATOM 872 CE4 TOP 1 1 23.946 7.799 13.400 0.00 1.00 -ATOM 873 CE5 TOP 1 1 23.946 7.799 16.750 0.00 1.00 -ATOM 874 CE6 TOP 1 1 22.718 9.926 10.050 0.00 1.00 -ATOM 875 CE7 TOP 1 1 22.718 9.926 13.400 0.00 1.00 -ATOM 876 CE8 TOP 1 1 22.718 9.926 16.750 0.00 1.00 -ATOM 877 CE9 TOP 1 1 21.490 12.053 10.050 0.00 1.00 -ATOM 878 CEA TOP 1 1 21.490 12.053 13.400 0.00 1.00 -ATOM 879 CEB TOP 1 1 21.490 12.053 16.750 0.00 1.00 -ATOM 880 CEC TOP 1 1 20.262 14.180 10.050 0.00 1.00 -ATOM 881 CED TOP 1 1 20.262 14.180 13.400 0.00 1.00 -ATOM 882 CEE TOP 1 1 20.262 14.180 16.750 0.00 1.00 -ATOM 883 CEF TOP 1 1 9.210 16.306 10.050 0.00 1.00 -ATOM 884 CEG TOP 1 1 9.210 16.306 13.400 0.00 1.00 -ATOM 885 CEH TOP 1 1 9.210 16.306 16.750 0.00 1.00 -ATOM 886 CEI TOP 1 1 7.982 18.433 10.050 0.00 1.00 -ATOM 887 CEJ TOP 1 1 7.982 18.433 13.400 0.00 1.00 -ATOM 888 CEK TOP 1 1 7.982 18.433 16.750 0.00 1.00 -ATOM 889 CEL TOP 1 1 6.754 20.560 10.050 0.00 1.00 -ATOM 890 CEM TOP 1 1 6.754 20.560 13.400 0.00 1.00 -ATOM 891 CEN TOP 1 1 6.754 20.560 16.750 0.00 1.00 -ATOM 892 CEO TOP 1 1 5.526 22.687 10.050 0.00 1.00 -ATOM 893 CEP TOP 1 1 5.526 22.687 13.400 0.00 1.00 -ATOM 894 CEQ TOP 1 1 5.526 22.687 16.750 0.00 1.00 -ATOM 895 CER TOP 1 1 4.298 24.814 10.050 0.00 1.00 -ATOM 896 CES TOP 1 1 4.298 24.814 13.400 0.00 1.00 -ATOM 897 CET TOP 1 1 4.298 24.814 16.750 0.00 1.00 -ATOM 898 CEU TOP 1 1 3.070 26.941 10.050 0.00 1.00 -ATOM 899 CEV TOP 1 1 3.070 26.941 13.400 0.00 1.00 -ATOM 900 CEW TOP 1 1 3.070 26.941 16.750 0.00 1.00 -ATOM 901 CEX TOP 1 1 1.842 29.068 10.050 0.00 1.00 -ATOM 902 CEY TOP 1 1 1.842 29.068 13.400 0.00 1.00 -ATOM 903 CEZ TOP 1 1 1.842 29.068 16.750 0.00 1.00 -ATOM 904 CEa TOP 1 1 0.614 1.418 10.050 0.00 1.00 -ATOM 905 CEb TOP 1 1 0.614 1.418 13.400 0.00 1.00 -ATOM 906 CEc TOP 1 1 0.614 1.418 16.750 0.00 1.00 -ATOM 907 CEd TOP 1 1 28.858 3.545 10.050 0.00 1.00 -ATOM 908 CEe TOP 1 1 28.858 3.545 13.400 0.00 1.00 -ATOM 909 CEf TOP 1 1 28.858 3.545 16.750 0.00 1.00 -ATOM 910 CEg TOP 1 1 27.630 5.672 10.050 0.00 1.00 -ATOM 911 CEh TOP 1 1 27.630 5.672 13.400 0.00 1.00 -ATOM 912 CEi TOP 1 1 27.630 5.672 16.750 0.00 1.00 -ATOM 913 CEj TOP 1 1 26.402 7.799 10.050 0.00 1.00 -ATOM 914 CEk TOP 1 1 26.402 7.799 13.400 0.00 1.00 -ATOM 915 CEl TOP 1 1 26.402 7.799 16.750 0.00 1.00 -ATOM 916 CEm TOP 1 1 25.174 9.926 10.050 0.00 1.00 -ATOM 917 CEn TOP 1 1 25.174 9.926 13.400 0.00 1.00 -ATOM 918 CEo TOP 1 1 25.174 9.926 16.750 0.00 1.00 -ATOM 919 CEp TOP 1 1 23.946 12.053 10.050 0.00 1.00 -ATOM 920 CEq TOP 1 1 23.946 12.053 13.400 0.00 1.00 -ATOM 921 CEr TOP 1 1 23.946 12.053 16.750 0.00 1.00 -ATOM 922 CEs TOP 1 1 22.718 14.180 10.050 0.00 1.00 -ATOM 923 CEt TOP 1 1 22.718 14.180 13.400 0.00 1.00 -ATOM 924 CEu TOP 1 1 22.718 14.180 16.750 0.00 1.00 -ATOM 925 CEv TOP 1 1 11.666 16.306 10.050 0.00 1.00 -ATOM 926 CEw TOP 1 1 11.666 16.306 13.400 0.00 1.00 -ATOM 927 CEx TOP 1 1 11.666 16.306 16.750 0.00 1.00 -ATOM 928 CEy TOP 1 1 10.438 18.433 10.050 0.00 1.00 -ATOM 929 CEz TOP 1 1 10.438 18.433 13.400 0.00 1.00 -ATOM 930 CF0 TOP 1 1 10.438 18.433 16.750 0.00 1.00 -ATOM 931 CF1 TOP 1 1 9.210 20.560 10.050 0.00 1.00 -ATOM 932 CF2 TOP 1 1 9.210 20.560 13.400 0.00 1.00 -ATOM 933 CF3 TOP 1 1 9.210 20.560 16.750 0.00 1.00 -ATOM 934 CF4 TOP 1 1 7.982 22.687 10.050 0.00 1.00 -ATOM 935 CF5 TOP 1 1 7.982 22.687 13.400 0.00 1.00 -ATOM 936 CF6 TOP 1 1 7.982 22.687 16.750 0.00 1.00 -ATOM 937 CF7 TOP 1 1 6.754 24.814 10.050 0.00 1.00 -ATOM 938 CF8 TOP 1 1 6.754 24.814 13.400 0.00 1.00 -ATOM 939 CF9 TOP 1 1 6.754 24.814 16.750 0.00 1.00 -ATOM 940 CFA TOP 1 1 5.526 26.941 10.050 0.00 1.00 -ATOM 941 CFB TOP 1 1 5.526 26.941 13.400 0.00 1.00 -ATOM 942 CFC TOP 1 1 5.526 26.941 16.750 0.00 1.00 -ATOM 943 CFD TOP 1 1 4.298 29.068 10.050 0.00 1.00 -ATOM 944 CFE TOP 1 1 4.298 29.068 13.400 0.00 1.00 -ATOM 945 CFF TOP 1 1 4.298 29.068 16.750 0.00 1.00 -ATOM 946 CFG TOP 1 1 3.070 1.418 10.050 0.00 1.00 -ATOM 947 CFH TOP 1 1 3.070 1.418 13.400 0.00 1.00 -ATOM 948 CFI TOP 1 1 3.070 1.418 16.750 0.00 1.00 -ATOM 949 CFJ TOP 1 1 1.842 3.545 10.050 0.00 1.00 -ATOM 950 CFK TOP 1 1 1.842 3.545 13.400 0.00 1.00 -ATOM 951 CFL TOP 1 1 1.842 3.545 16.750 0.00 1.00 -ATOM 952 CFM TOP 1 1 0.614 5.672 10.050 0.00 1.00 -ATOM 953 CFN TOP 1 1 0.614 5.672 13.400 0.00 1.00 -ATOM 954 CFO TOP 1 1 0.614 5.672 16.750 0.00 1.00 -ATOM 955 CFP TOP 1 1 28.858 7.799 10.050 0.00 1.00 -ATOM 956 CFQ TOP 1 1 28.858 7.799 13.400 0.00 1.00 -ATOM 957 CFR TOP 1 1 28.858 7.799 16.750 0.00 1.00 -ATOM 958 CFS TOP 1 1 27.630 9.926 10.050 0.00 1.00 -ATOM 959 CFT TOP 1 1 27.630 9.926 13.400 0.00 1.00 -ATOM 960 CFU TOP 1 1 27.630 9.926 16.750 0.00 1.00 -ATOM 961 CFV TOP 1 1 26.402 12.053 10.050 0.00 1.00 -ATOM 962 CFW TOP 1 1 26.402 12.053 13.400 0.00 1.00 -ATOM 963 CFX TOP 1 1 26.402 12.053 16.750 0.00 1.00 -ATOM 964 CFY TOP 1 1 25.174 14.180 10.050 0.00 1.00 -ATOM 965 CFZ TOP 1 1 25.174 14.180 13.400 0.00 1.00 -ATOM 966 CFa TOP 1 1 25.174 14.180 16.750 0.00 1.00 -ATOM 967 CFb TOP 1 1 14.122 16.306 10.050 0.00 1.00 -ATOM 968 CFc TOP 1 1 14.122 16.306 13.400 0.00 1.00 -ATOM 969 CFd TOP 1 1 14.122 16.306 16.750 0.00 1.00 -ATOM 970 CFe TOP 1 1 12.894 18.433 10.050 0.00 1.00 -ATOM 971 CFf TOP 1 1 12.894 18.433 13.400 0.00 1.00 -ATOM 972 CFg TOP 1 1 12.894 18.433 16.750 0.00 1.00 -ATOM 973 CFh TOP 1 1 11.666 20.560 10.050 0.00 1.00 -ATOM 974 CFi TOP 1 1 11.666 20.560 13.400 0.00 1.00 -ATOM 975 CFj TOP 1 1 11.666 20.560 16.750 0.00 1.00 -ATOM 976 CFk TOP 1 1 10.438 22.687 10.050 0.00 1.00 -ATOM 977 CFl TOP 1 1 10.438 22.687 13.400 0.00 1.00 -ATOM 978 CFm TOP 1 1 10.438 22.687 16.750 0.00 1.00 -ATOM 979 CFn TOP 1 1 9.210 24.814 10.050 0.00 1.00 -ATOM 980 CFo TOP 1 1 9.210 24.814 13.400 0.00 1.00 -ATOM 981 CFp TOP 1 1 9.210 24.814 16.750 0.00 1.00 -ATOM 982 CFq TOP 1 1 7.982 26.941 10.050 0.00 1.00 -ATOM 983 CFr TOP 1 1 7.982 26.941 13.400 0.00 1.00 -ATOM 984 CFs TOP 1 1 7.982 26.941 16.750 0.00 1.00 -ATOM 985 CFt TOP 1 1 6.754 29.068 10.050 0.00 1.00 -ATOM 986 CFu TOP 1 1 6.754 29.068 13.400 0.00 1.00 -ATOM 987 CFv TOP 1 1 6.754 29.068 16.750 0.00 1.00 -ATOM 988 CFw TOP 1 1 5.526 1.418 10.050 0.00 1.00 -ATOM 989 CFx TOP 1 1 5.526 1.418 13.400 0.00 1.00 -ATOM 990 CFy TOP 1 1 5.526 1.418 16.750 0.00 1.00 -ATOM 991 CFz TOP 1 1 4.298 3.545 10.050 0.00 1.00 -ATOM 992 CG0 TOP 1 1 4.298 3.545 13.400 0.00 1.00 -ATOM 993 CG1 TOP 1 1 4.298 3.545 16.750 0.00 1.00 -ATOM 994 CG2 TOP 1 1 3.070 5.672 10.050 0.00 1.00 -ATOM 995 CG3 TOP 1 1 3.070 5.672 13.400 0.00 1.00 -ATOM 996 CG4 TOP 1 1 3.070 5.672 16.750 0.00 1.00 -ATOM 997 CG5 TOP 1 1 1.842 7.799 10.050 0.00 1.00 -ATOM 998 CG6 TOP 1 1 1.842 7.799 13.400 0.00 1.00 -ATOM 999 CG7 TOP 1 1 1.842 7.799 16.750 0.00 1.00 -ATOM 1000 CG8 TOP 1 1 0.614 9.926 10.050 0.00 1.00 -ATOM 1001 CG9 TOP 1 1 0.614 9.926 13.400 0.00 1.00 -ATOM 1002 CGA TOP 1 1 0.614 9.926 16.750 0.00 1.00 -ATOM 1003 CGB TOP 1 1 28.858 12.053 10.050 0.00 1.00 -ATOM 1004 CGC TOP 1 1 28.858 12.053 13.400 0.00 1.00 -ATOM 1005 CGD TOP 1 1 28.858 12.053 16.750 0.00 1.00 -ATOM 1006 CGE TOP 1 1 27.630 14.180 10.050 0.00 1.00 -ATOM 1007 CGF TOP 1 1 27.630 14.180 13.400 0.00 1.00 -ATOM 1008 CGG TOP 1 1 27.630 14.180 16.750 0.00 1.00 -ATOM 1009 C1 BOT 1 2 15.350 15.597 0.000 0.00 1.00 -ATOM 1010 C2 BOT 1 2 15.350 15.597 3.350 0.00 1.00 -ATOM 1011 C3 BOT 1 2 15.350 15.597 6.700 0.00 1.00 -ATOM 1012 C4 BOT 1 2 14.122 17.724 0.000 0.00 1.00 -ATOM 1013 C5 BOT 1 2 14.122 17.724 3.350 0.00 1.00 -ATOM 1014 C6 BOT 1 2 14.122 17.724 6.700 0.00 1.00 -ATOM 1015 C7 BOT 1 2 12.894 19.851 0.000 0.00 1.00 -ATOM 1016 C8 BOT 1 2 12.894 19.851 3.350 0.00 1.00 -ATOM 1017 C9 BOT 1 2 12.894 19.851 6.700 0.00 1.00 -ATOM 1018 CA BOT 1 2 11.666 21.978 0.000 0.00 1.00 -ATOM 1019 CB BOT 1 2 11.666 21.978 3.350 0.00 1.00 -ATOM 1020 CC BOT 1 2 11.666 21.978 6.700 0.00 1.00 -ATOM 1021 CD BOT 1 2 10.438 24.105 0.000 0.00 1.00 -ATOM 1022 CE BOT 1 2 10.438 24.105 3.350 0.00 1.00 -ATOM 1023 CF BOT 1 2 10.438 24.105 6.700 0.00 1.00 -ATOM 1024 CG BOT 1 2 9.210 26.232 0.000 0.00 1.00 -ATOM 1025 CH BOT 1 2 9.210 26.232 3.350 0.00 1.00 -ATOM 1026 CI BOT 1 2 9.210 26.232 6.700 0.00 1.00 -ATOM 1027 CJ BOT 1 2 7.982 28.359 0.000 0.00 1.00 -ATOM 1028 CK BOT 1 2 7.982 28.359 3.350 0.00 1.00 -ATOM 1029 CL BOT 1 2 7.982 28.359 6.700 0.00 1.00 -ATOM 1030 CM BOT 1 2 6.754 0.709 0.000 0.00 1.00 -ATOM 1031 CN BOT 1 2 6.754 0.709 3.350 0.00 1.00 -ATOM 1032 CO BOT 1 2 6.754 0.709 6.700 0.00 1.00 -ATOM 1033 CP BOT 1 2 5.526 2.836 0.000 0.00 1.00 -ATOM 1034 CQ BOT 1 2 5.526 2.836 3.350 0.00 1.00 -ATOM 1035 CR BOT 1 2 5.526 2.836 6.700 0.00 1.00 -ATOM 1036 CS BOT 1 2 4.298 4.963 0.000 0.00 1.00 -ATOM 1037 CT BOT 1 2 4.298 4.963 3.350 0.00 1.00 -ATOM 1038 CU BOT 1 2 4.298 4.963 6.700 0.00 1.00 -ATOM 1039 CV BOT 1 2 3.070 7.090 0.000 0.00 1.00 -ATOM 1040 CW BOT 1 2 3.070 7.090 3.350 0.00 1.00 -ATOM 1041 CX BOT 1 2 3.070 7.090 6.700 0.00 1.00 -ATOM 1042 CY BOT 1 2 1.842 9.217 0.000 0.00 1.00 -ATOM 1043 CZ BOT 1 2 1.842 9.217 3.350 0.00 1.00 -ATOM 1044 Ca BOT 1 2 1.842 9.217 6.700 0.00 1.00 -ATOM 1045 Cb BOT 1 2 0.614 11.344 0.000 0.00 1.00 -ATOM 1046 Cc BOT 1 2 0.614 11.344 3.350 0.00 1.00 -ATOM 1047 Cd BOT 1 2 0.614 11.344 6.700 0.00 1.00 -ATOM 1048 Ce BOT 1 2 28.858 13.471 0.000 0.00 1.00 -ATOM 1049 Cf BOT 1 2 28.858 13.471 3.350 0.00 1.00 -ATOM 1050 Cg BOT 1 2 28.858 13.471 6.700 0.00 1.00 -ATOM 1051 Ch BOT 1 2 17.806 15.597 0.000 0.00 1.00 -ATOM 1052 Ci BOT 1 2 17.806 15.597 3.350 0.00 1.00 -ATOM 1053 Cj BOT 1 2 17.806 15.597 6.700 0.00 1.00 -ATOM 1054 Ck BOT 1 2 16.578 17.724 0.000 0.00 1.00 -ATOM 1055 Cl BOT 1 2 16.578 17.724 3.350 0.00 1.00 -ATOM 1056 Cm BOT 1 2 16.578 17.724 6.700 0.00 1.00 -ATOM 1057 Cn BOT 1 2 15.350 19.851 0.000 0.00 1.00 -ATOM 1058 Co BOT 1 2 15.350 19.851 3.350 0.00 1.00 -ATOM 1059 Cp BOT 1 2 15.350 19.851 6.700 0.00 1.00 -ATOM 1060 Cq BOT 1 2 14.122 21.978 0.000 0.00 1.00 -ATOM 1061 Cr BOT 1 2 14.122 21.978 3.350 0.00 1.00 -ATOM 1062 Cs BOT 1 2 14.122 21.978 6.700 0.00 1.00 -ATOM 1063 Ct BOT 1 2 12.894 24.105 0.000 0.00 1.00 -ATOM 1064 Cu BOT 1 2 12.894 24.105 3.350 0.00 1.00 -ATOM 1065 Cv BOT 1 2 12.894 24.105 6.700 0.00 1.00 -ATOM 1066 Cw BOT 1 2 11.666 26.232 0.000 0.00 1.00 -ATOM 1067 Cx BOT 1 2 11.666 26.232 3.350 0.00 1.00 -ATOM 1068 Cy BOT 1 2 11.666 26.232 6.700 0.00 1.00 -ATOM 1069 Cz BOT 1 2 10.438 28.359 0.000 0.00 1.00 -ATOM 1070 C10 BOT 1 2 10.438 28.359 3.350 0.00 1.00 -ATOM 1071 C11 BOT 1 2 10.438 28.359 6.700 0.00 1.00 -ATOM 1072 C12 BOT 1 2 9.210 0.709 0.000 0.00 1.00 -ATOM 1073 C13 BOT 1 2 9.210 0.709 3.350 0.00 1.00 -ATOM 1074 C14 BOT 1 2 9.210 0.709 6.700 0.00 1.00 -ATOM 1075 C15 BOT 1 2 7.982 2.836 0.000 0.00 1.00 -ATOM 1076 C16 BOT 1 2 7.982 2.836 3.350 0.00 1.00 -ATOM 1077 C17 BOT 1 2 7.982 2.836 6.700 0.00 1.00 -ATOM 1078 C18 BOT 1 2 6.754 4.963 0.000 0.00 1.00 -ATOM 1079 C19 BOT 1 2 6.754 4.963 3.350 0.00 1.00 -ATOM 1080 C1A BOT 1 2 6.754 4.963 6.700 0.00 1.00 -ATOM 1081 C1B BOT 1 2 5.526 7.090 0.000 0.00 1.00 -ATOM 1082 C1C BOT 1 2 5.526 7.090 3.350 0.00 1.00 -ATOM 1083 C1D BOT 1 2 5.526 7.090 6.700 0.00 1.00 -ATOM 1084 C1E BOT 1 2 4.298 9.217 0.000 0.00 1.00 -ATOM 1085 C1F BOT 1 2 4.298 9.217 3.350 0.00 1.00 -ATOM 1086 C1G BOT 1 2 4.298 9.217 6.700 0.00 1.00 -ATOM 1087 C1H BOT 1 2 3.070 11.344 0.000 0.00 1.00 -ATOM 1088 C1I BOT 1 2 3.070 11.344 3.350 0.00 1.00 -ATOM 1089 C1J BOT 1 2 3.070 11.344 6.700 0.00 1.00 -ATOM 1090 C1K BOT 1 2 1.842 13.471 0.000 0.00 1.00 -ATOM 1091 C1L BOT 1 2 1.842 13.471 3.350 0.00 1.00 -ATOM 1092 C1M BOT 1 2 1.842 13.471 6.700 0.00 1.00 -ATOM 1093 C1N BOT 1 2 20.262 15.597 0.000 0.00 1.00 -ATOM 1094 C1O BOT 1 2 20.262 15.597 3.350 0.00 1.00 -ATOM 1095 C1P BOT 1 2 20.262 15.597 6.700 0.00 1.00 -ATOM 1096 C1Q BOT 1 2 19.034 17.724 0.000 0.00 1.00 -ATOM 1097 C1R BOT 1 2 19.034 17.724 3.350 0.00 1.00 -ATOM 1098 C1S BOT 1 2 19.034 17.724 6.700 0.00 1.00 -ATOM 1099 C1T BOT 1 2 17.806 19.851 0.000 0.00 1.00 -ATOM 1100 C1U BOT 1 2 17.806 19.851 3.350 0.00 1.00 -ATOM 1101 C1V BOT 1 2 17.806 19.851 6.700 0.00 1.00 -ATOM 1102 C1W BOT 1 2 16.578 21.978 0.000 0.00 1.00 -ATOM 1103 C1X BOT 1 2 16.578 21.978 3.350 0.00 1.00 -ATOM 1104 C1Y BOT 1 2 16.578 21.978 6.700 0.00 1.00 -ATOM 1105 C1Z BOT 1 2 15.350 24.105 0.000 0.00 1.00 -ATOM 1106 C1a BOT 1 2 15.350 24.105 3.350 0.00 1.00 -ATOM 1107 C1b BOT 1 2 15.350 24.105 6.700 0.00 1.00 -ATOM 1108 C1c BOT 1 2 14.122 26.232 0.000 0.00 1.00 -ATOM 1109 C1d BOT 1 2 14.122 26.232 3.350 0.00 1.00 -ATOM 1110 C1e BOT 1 2 14.122 26.232 6.700 0.00 1.00 -ATOM 1111 C1f BOT 1 2 12.894 28.359 0.000 0.00 1.00 -ATOM 1112 C1g BOT 1 2 12.894 28.359 3.350 0.00 1.00 -ATOM 1113 C1h BOT 1 2 12.894 28.359 6.700 0.00 1.00 -ATOM 1114 C1i BOT 1 2 11.666 0.709 0.000 0.00 1.00 -ATOM 1115 C1j BOT 1 2 11.666 0.709 3.350 0.00 1.00 -ATOM 1116 C1k BOT 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0.000 0.00 1.00 -ATOM 1136 C24 BOT 1 2 22.718 15.597 3.350 0.00 1.00 -ATOM 1137 C25 BOT 1 2 22.718 15.597 6.700 0.00 1.00 -ATOM 1138 C26 BOT 1 2 21.490 17.724 0.000 0.00 1.00 -ATOM 1139 C27 BOT 1 2 21.490 17.724 3.350 0.00 1.00 -ATOM 1140 C28 BOT 1 2 21.490 17.724 6.700 0.00 1.00 -ATOM 1141 C29 BOT 1 2 20.262 19.851 0.000 0.00 1.00 -ATOM 1142 C2A BOT 1 2 20.262 19.851 3.350 0.00 1.00 -ATOM 1143 C2B BOT 1 2 20.262 19.851 6.700 0.00 1.00 -ATOM 1144 C2C BOT 1 2 19.034 21.978 0.000 0.00 1.00 -ATOM 1145 C2D BOT 1 2 19.034 21.978 3.350 0.00 1.00 -ATOM 1146 C2E BOT 1 2 19.034 21.978 6.700 0.00 1.00 -ATOM 1147 C2F BOT 1 2 17.806 24.105 0.000 0.00 1.00 -ATOM 1148 C2G BOT 1 2 17.806 24.105 3.350 0.00 1.00 -ATOM 1149 C2H BOT 1 2 17.806 24.105 6.700 0.00 1.00 -ATOM 1150 C2I BOT 1 2 16.578 26.232 0.000 0.00 1.00 -ATOM 1151 C2J BOT 1 2 16.578 26.232 3.350 0.00 1.00 -ATOM 1152 C2K BOT 1 2 16.578 26.232 6.700 0.00 1.00 -ATOM 1153 C2L BOT 1 2 15.350 28.359 0.000 0.00 1.00 -ATOM 1154 C2M BOT 1 2 15.350 28.359 3.350 0.00 1.00 -ATOM 1155 C2N BOT 1 2 15.350 28.359 6.700 0.00 1.00 -ATOM 1156 C2O BOT 1 2 14.122 0.709 0.000 0.00 1.00 -ATOM 1157 C2P BOT 1 2 14.122 0.709 3.350 0.00 1.00 -ATOM 1158 C2Q BOT 1 2 14.122 0.709 6.700 0.00 1.00 -ATOM 1159 C2R BOT 1 2 12.894 2.836 0.000 0.00 1.00 -ATOM 1160 C2S BOT 1 2 12.894 2.836 3.350 0.00 1.00 -ATOM 1161 C2T BOT 1 2 12.894 2.836 6.700 0.00 1.00 -ATOM 1162 C2U BOT 1 2 11.666 4.963 0.000 0.00 1.00 -ATOM 1163 C2V BOT 1 2 11.666 4.963 3.350 0.00 1.00 -ATOM 1164 C2W BOT 1 2 11.666 4.963 6.700 0.00 1.00 -ATOM 1165 C2X BOT 1 2 10.438 7.090 0.000 0.00 1.00 -ATOM 1166 C2Y BOT 1 2 10.438 7.090 3.350 0.00 1.00 -ATOM 1167 C2Z BOT 1 2 10.438 7.090 6.700 0.00 1.00 -ATOM 1168 C2a BOT 1 2 9.210 9.217 0.000 0.00 1.00 -ATOM 1169 C2b BOT 1 2 9.210 9.217 3.350 0.00 1.00 -ATOM 1170 C2c BOT 1 2 9.210 9.217 6.700 0.00 1.00 -ATOM 1171 C2d BOT 1 2 7.982 11.344 0.000 0.00 1.00 -ATOM 1172 C2e BOT 1 2 7.982 11.344 3.350 0.00 1.00 -ATOM 1173 C2f BOT 1 2 7.982 11.344 6.700 0.00 1.00 -ATOM 1174 C2g BOT 1 2 6.754 13.471 0.000 0.00 1.00 -ATOM 1175 C2h BOT 1 2 6.754 13.471 3.350 0.00 1.00 -ATOM 1176 C2i BOT 1 2 6.754 13.471 6.700 0.00 1.00 -ATOM 1177 C2j BOT 1 2 25.174 15.597 0.000 0.00 1.00 -ATOM 1178 C2k BOT 1 2 25.174 15.597 3.350 0.00 1.00 -ATOM 1179 C2l BOT 1 2 25.174 15.597 6.700 0.00 1.00 -ATOM 1180 C2m BOT 1 2 23.946 17.724 0.000 0.00 1.00 -ATOM 1181 C2n BOT 1 2 23.946 17.724 3.350 0.00 1.00 -ATOM 1182 C2o BOT 1 2 23.946 17.724 6.700 0.00 1.00 -ATOM 1183 C2p BOT 1 2 22.718 19.851 0.000 0.00 1.00 -ATOM 1184 C2q BOT 1 2 22.718 19.851 3.350 0.00 1.00 -ATOM 1185 C2r BOT 1 2 22.718 19.851 6.700 0.00 1.00 -ATOM 1186 C2s BOT 1 2 21.490 21.978 0.000 0.00 1.00 -ATOM 1187 C2t BOT 1 2 21.490 21.978 3.350 0.00 1.00 -ATOM 1188 C2u BOT 1 2 21.490 21.978 6.700 0.00 1.00 -ATOM 1189 C2v BOT 1 2 20.262 24.105 0.000 0.00 1.00 -ATOM 1190 C2w BOT 1 2 20.262 24.105 3.350 0.00 1.00 -ATOM 1191 C2x BOT 1 2 20.262 24.105 6.700 0.00 1.00 -ATOM 1192 C2y BOT 1 2 19.034 26.232 0.000 0.00 1.00 -ATOM 1193 C2z BOT 1 2 19.034 26.232 3.350 0.00 1.00 -ATOM 1194 C30 BOT 1 2 19.034 26.232 6.700 0.00 1.00 -ATOM 1195 C31 BOT 1 2 17.806 28.359 0.000 0.00 1.00 -ATOM 1196 C32 BOT 1 2 17.806 28.359 3.350 0.00 1.00 -ATOM 1197 C33 BOT 1 2 17.806 28.359 6.700 0.00 1.00 -ATOM 1198 C34 BOT 1 2 16.578 0.709 0.000 0.00 1.00 -ATOM 1199 C35 BOT 1 2 16.578 0.709 3.350 0.00 1.00 -ATOM 1200 C36 BOT 1 2 16.578 0.709 6.700 0.00 1.00 -ATOM 1201 C37 BOT 1 2 15.350 2.836 0.000 0.00 1.00 -ATOM 1202 C38 BOT 1 2 15.350 2.836 3.350 0.00 1.00 -ATOM 1203 C39 BOT 1 2 15.350 2.836 6.700 0.00 1.00 -ATOM 1204 C3A BOT 1 2 14.122 4.963 0.000 0.00 1.00 -ATOM 1205 C3B BOT 1 2 14.122 4.963 3.350 0.00 1.00 -ATOM 1206 C3C BOT 1 2 14.122 4.963 6.700 0.00 1.00 -ATOM 1207 C3D BOT 1 2 12.894 7.090 0.000 0.00 1.00 -ATOM 1208 C3E BOT 1 2 12.894 7.090 3.350 0.00 1.00 -ATOM 1209 C3F BOT 1 2 12.894 7.090 6.700 0.00 1.00 -ATOM 1210 C3G BOT 1 2 11.666 9.217 0.000 0.00 1.00 -ATOM 1211 C3H BOT 1 2 11.666 9.217 3.350 0.00 1.00 -ATOM 1212 C3I BOT 1 2 11.666 9.217 6.700 0.00 1.00 -ATOM 1213 C3J BOT 1 2 10.438 11.344 0.000 0.00 1.00 -ATOM 1214 C3K BOT 1 2 10.438 11.344 3.350 0.00 1.00 -ATOM 1215 C3L BOT 1 2 10.438 11.344 6.700 0.00 1.00 -ATOM 1216 C3M BOT 1 2 9.210 13.471 0.000 0.00 1.00 -ATOM 1217 C3N BOT 1 2 9.210 13.471 3.350 0.00 1.00 -ATOM 1218 C3O BOT 1 2 9.210 13.471 6.700 0.00 1.00 -ATOM 1219 C3P BOT 1 2 27.630 15.597 0.000 0.00 1.00 -ATOM 1220 C3Q BOT 1 2 27.630 15.597 3.350 0.00 1.00 -ATOM 1221 C3R BOT 1 2 27.630 15.597 6.700 0.00 1.00 -ATOM 1222 C3S BOT 1 2 26.402 17.724 0.000 0.00 1.00 -ATOM 1223 C3T BOT 1 2 26.402 17.724 3.350 0.00 1.00 -ATOM 1224 C3U BOT 1 2 26.402 17.724 6.700 0.00 1.00 -ATOM 1225 C3V BOT 1 2 25.174 19.851 0.000 0.00 1.00 -ATOM 1226 C3W BOT 1 2 25.174 19.851 3.350 0.00 1.00 -ATOM 1227 C3X BOT 1 2 25.174 19.851 6.700 0.00 1.00 -ATOM 1228 C3Y BOT 1 2 23.946 21.978 0.000 0.00 1.00 -ATOM 1229 C3Z BOT 1 2 23.946 21.978 3.350 0.00 1.00 -ATOM 1230 C3a BOT 1 2 23.946 21.978 6.700 0.00 1.00 -ATOM 1231 C3b BOT 1 2 22.718 24.105 0.000 0.00 1.00 -ATOM 1232 C3c BOT 1 2 22.718 24.105 3.350 0.00 1.00 -ATOM 1233 C3d BOT 1 2 22.718 24.105 6.700 0.00 1.00 -ATOM 1234 C3e BOT 1 2 21.490 26.232 0.000 0.00 1.00 -ATOM 1235 C3f BOT 1 2 21.490 26.232 3.350 0.00 1.00 -ATOM 1236 C3g BOT 1 2 21.490 26.232 6.700 0.00 1.00 -ATOM 1237 C3h BOT 1 2 20.262 28.359 0.000 0.00 1.00 -ATOM 1238 C3i BOT 1 2 20.262 28.359 3.350 0.00 1.00 -ATOM 1239 C3j BOT 1 2 20.262 28.359 6.700 0.00 1.00 -ATOM 1240 C3k BOT 1 2 19.034 0.709 0.000 0.00 1.00 -ATOM 1241 C3l BOT 1 2 19.034 0.709 3.350 0.00 1.00 -ATOM 1242 C3m BOT 1 2 19.034 0.709 6.700 0.00 1.00 -ATOM 1243 C3n BOT 1 2 17.806 2.836 0.000 0.00 1.00 -ATOM 1244 C3o BOT 1 2 17.806 2.836 3.350 0.00 1.00 -ATOM 1245 C3p BOT 1 2 17.806 2.836 6.700 0.00 1.00 -ATOM 1246 C3q BOT 1 2 16.578 4.963 0.000 0.00 1.00 -ATOM 1247 C3r BOT 1 2 16.578 4.963 3.350 0.00 1.00 -ATOM 1248 C3s BOT 1 2 16.578 4.963 6.700 0.00 1.00 -ATOM 1249 C3t BOT 1 2 15.350 7.090 0.000 0.00 1.00 -ATOM 1250 C3u BOT 1 2 15.350 7.090 3.350 0.00 1.00 -ATOM 1251 C3v BOT 1 2 15.350 7.090 6.700 0.00 1.00 -ATOM 1252 C3w BOT 1 2 14.122 9.217 0.000 0.00 1.00 -ATOM 1253 C3x BOT 1 2 14.122 9.217 3.350 0.00 1.00 -ATOM 1254 C3y BOT 1 2 14.122 9.217 6.700 0.00 1.00 -ATOM 1255 C3z BOT 1 2 12.894 11.344 0.000 0.00 1.00 -ATOM 1256 C40 BOT 1 2 12.894 11.344 3.350 0.00 1.00 -ATOM 1257 C41 BOT 1 2 12.894 11.344 6.700 0.00 1.00 -ATOM 1258 C42 BOT 1 2 11.666 13.471 0.000 0.00 1.00 -ATOM 1259 C43 BOT 1 2 11.666 13.471 3.350 0.00 1.00 -ATOM 1260 C44 BOT 1 2 11.666 13.471 6.700 0.00 1.00 -ATOM 1261 C45 BOT 1 2 0.614 15.597 0.000 0.00 1.00 -ATOM 1262 C46 BOT 1 2 0.614 15.597 3.350 0.00 1.00 -ATOM 1263 C47 BOT 1 2 0.614 15.597 6.700 0.00 1.00 -ATOM 1264 C48 BOT 1 2 28.858 17.724 0.000 0.00 1.00 -ATOM 1265 C49 BOT 1 2 28.858 17.724 3.350 0.00 1.00 -ATOM 1266 C4A BOT 1 2 28.858 17.724 6.700 0.00 1.00 -ATOM 1267 C4B BOT 1 2 27.630 19.851 0.000 0.00 1.00 -ATOM 1268 C4C BOT 1 2 27.630 19.851 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-ATOM 1364 C5k BOT 1 2 27.630 28.359 3.350 0.00 1.00 -ATOM 1365 C5l BOT 1 2 27.630 28.359 6.700 0.00 1.00 -ATOM 1366 C5m BOT 1 2 26.402 0.709 0.000 0.00 1.00 -ATOM 1367 C5n BOT 1 2 26.402 0.709 3.350 0.00 1.00 -ATOM 1368 C5o BOT 1 2 26.402 0.709 6.700 0.00 1.00 -ATOM 1369 C5p BOT 1 2 25.174 2.836 0.000 0.00 1.00 -ATOM 1370 C5q BOT 1 2 25.174 2.836 3.350 0.00 1.00 -ATOM 1371 C5r BOT 1 2 25.174 2.836 6.700 0.00 1.00 -ATOM 1372 C5s BOT 1 2 23.946 4.963 0.000 0.00 1.00 -ATOM 1373 C5t BOT 1 2 23.946 4.963 3.350 0.00 1.00 -ATOM 1374 C5u BOT 1 2 23.946 4.963 6.700 0.00 1.00 -ATOM 1375 C5v BOT 1 2 22.718 7.090 0.000 0.00 1.00 -ATOM 1376 C5w BOT 1 2 22.718 7.090 3.350 0.00 1.00 -ATOM 1377 C5x BOT 1 2 22.718 7.090 6.700 0.00 1.00 -ATOM 1378 C5y BOT 1 2 21.490 9.217 0.000 0.00 1.00 -ATOM 1379 C5z BOT 1 2 21.490 9.217 3.350 0.00 1.00 -ATOM 1380 C60 BOT 1 2 21.490 9.217 6.700 0.00 1.00 -ATOM 1381 C61 BOT 1 2 20.262 11.344 0.000 0.00 1.00 -ATOM 1382 C62 BOT 1 2 20.262 11.344 3.350 0.00 1.00 -ATOM 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23.946 9.217 3.350 0.00 1.00 -ATOM 1422 C6g BOT 1 2 23.946 9.217 6.700 0.00 1.00 -ATOM 1423 C6h BOT 1 2 22.718 11.344 0.000 0.00 1.00 -ATOM 1424 C6i BOT 1 2 22.718 11.344 3.350 0.00 1.00 -ATOM 1425 C6j BOT 1 2 22.718 11.344 6.700 0.00 1.00 -ATOM 1426 C6k BOT 1 2 21.490 13.471 0.000 0.00 1.00 -ATOM 1427 C6l BOT 1 2 21.490 13.471 3.350 0.00 1.00 -ATOM 1428 C6m BOT 1 2 21.490 13.471 6.700 0.00 1.00 -ATOM 1429 C6n BOT 1 2 10.438 15.597 0.000 0.00 1.00 -ATOM 1430 C6o BOT 1 2 10.438 15.597 3.350 0.00 1.00 -ATOM 1431 C6p BOT 1 2 10.438 15.597 6.700 0.00 1.00 -ATOM 1432 C6q BOT 1 2 9.210 17.724 0.000 0.00 1.00 -ATOM 1433 C6r BOT 1 2 9.210 17.724 3.350 0.00 1.00 -ATOM 1434 C6s BOT 1 2 9.210 17.724 6.700 0.00 1.00 -ATOM 1435 C6t BOT 1 2 7.982 19.851 0.000 0.00 1.00 -ATOM 1436 C6u BOT 1 2 7.982 19.851 3.350 0.00 1.00 -ATOM 1437 C6v BOT 1 2 7.982 19.851 6.700 0.00 1.00 -ATOM 1438 C6w BOT 1 2 6.754 21.978 0.000 0.00 1.00 -ATOM 1439 C6x BOT 1 2 6.754 21.978 3.350 0.00 1.00 -ATOM 1440 C6y BOT 1 2 6.754 21.978 6.700 0.00 1.00 -ATOM 1441 C6z BOT 1 2 5.526 24.105 0.000 0.00 1.00 -ATOM 1442 C70 BOT 1 2 5.526 24.105 3.350 0.00 1.00 -ATOM 1443 C71 BOT 1 2 5.526 24.105 6.700 0.00 1.00 -ATOM 1444 C72 BOT 1 2 4.298 26.232 0.000 0.00 1.00 -ATOM 1445 C73 BOT 1 2 4.298 26.232 3.350 0.00 1.00 -ATOM 1446 C74 BOT 1 2 4.298 26.232 6.700 0.00 1.00 -ATOM 1447 C75 BOT 1 2 3.070 28.359 0.000 0.00 1.00 -ATOM 1448 C76 BOT 1 2 3.070 28.359 3.350 0.00 1.00 -ATOM 1449 C77 BOT 1 2 3.070 28.359 6.700 0.00 1.00 -ATOM 1450 C78 BOT 1 2 1.842 0.709 0.000 0.00 1.00 -ATOM 1451 C79 BOT 1 2 1.842 0.709 3.350 0.00 1.00 -ATOM 1452 C7A BOT 1 2 1.842 0.709 6.700 0.00 1.00 -ATOM 1453 C7B BOT 1 2 0.614 2.836 0.000 0.00 1.00 -ATOM 1454 C7C BOT 1 2 0.614 2.836 3.350 0.00 1.00 -ATOM 1455 C7D BOT 1 2 0.614 2.836 6.700 0.00 1.00 -ATOM 1456 C7E BOT 1 2 28.858 4.963 0.000 0.00 1.00 -ATOM 1457 C7F BOT 1 2 28.858 4.963 3.350 0.00 1.00 -ATOM 1458 C7G BOT 1 2 28.858 4.963 6.700 0.00 1.00 -ATOM 1459 C7H BOT 1 2 27.630 7.090 0.000 0.00 1.00 -ATOM 1460 C7I BOT 1 2 27.630 7.090 3.350 0.00 1.00 -ATOM 1461 C7J BOT 1 2 27.630 7.090 6.700 0.00 1.00 -ATOM 1462 C7K BOT 1 2 26.402 9.217 0.000 0.00 1.00 -ATOM 1463 C7L BOT 1 2 26.402 9.217 3.350 0.00 1.00 -ATOM 1464 C7M BOT 1 2 26.402 9.217 6.700 0.00 1.00 -ATOM 1465 C7N BOT 1 2 25.174 11.344 0.000 0.00 1.00 -ATOM 1466 C7O BOT 1 2 25.174 11.344 3.350 0.00 1.00 -ATOM 1467 C7P BOT 1 2 25.174 11.344 6.700 0.00 1.00 -ATOM 1468 C7Q BOT 1 2 23.946 13.471 0.000 0.00 1.00 -ATOM 1469 C7R BOT 1 2 23.946 13.471 3.350 0.00 1.00 -ATOM 1470 C7S BOT 1 2 23.946 13.471 6.700 0.00 1.00 -ATOM 1471 C7T BOT 1 2 12.894 15.597 0.000 0.00 1.00 -ATOM 1472 C7U BOT 1 2 12.894 15.597 3.350 0.00 1.00 -ATOM 1473 C7V BOT 1 2 12.894 15.597 6.700 0.00 1.00 -ATOM 1474 C7W BOT 1 2 11.666 17.724 0.000 0.00 1.00 -ATOM 1475 C7X BOT 1 2 11.666 17.724 3.350 0.00 1.00 -ATOM 1476 C7Y BOT 1 2 11.666 17.724 6.700 0.00 1.00 -ATOM 1477 C7Z BOT 1 2 10.438 19.851 0.000 0.00 1.00 -ATOM 1478 C7a BOT 1 2 10.438 19.851 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1517 C8D BOT 1 2 15.350 18.433 3.350 0.00 1.00 -ATOM 1518 C8E BOT 1 2 15.350 18.433 6.700 0.00 1.00 -ATOM 1519 C8F BOT 1 2 14.122 20.560 0.000 0.00 1.00 -ATOM 1520 C8G BOT 1 2 14.122 20.560 3.350 0.00 1.00 -ATOM 1521 C8H BOT 1 2 14.122 20.560 6.700 0.00 1.00 -ATOM 1522 C8I BOT 1 2 12.894 22.687 0.000 0.00 1.00 -ATOM 1523 C8J BOT 1 2 12.894 22.687 3.350 0.00 1.00 -ATOM 1524 C8K BOT 1 2 12.894 22.687 6.700 0.00 1.00 -ATOM 1525 C8L BOT 1 2 11.666 24.814 0.000 0.00 1.00 -ATOM 1526 C8M BOT 1 2 11.666 24.814 3.350 0.00 1.00 -ATOM 1527 C8N BOT 1 2 11.666 24.814 6.700 0.00 1.00 -ATOM 1528 C8O BOT 1 2 10.438 26.941 0.000 0.00 1.00 -ATOM 1529 C8P BOT 1 2 10.438 26.941 3.350 0.00 1.00 -ATOM 1530 C8Q BOT 1 2 10.438 26.941 6.700 0.00 1.00 -ATOM 1531 C8R BOT 1 2 9.210 29.068 0.000 0.00 1.00 -ATOM 1532 C8S BOT 1 2 9.210 29.068 3.350 0.00 1.00 -ATOM 1533 C8T BOT 1 2 9.210 29.068 6.700 0.00 1.00 -ATOM 1534 C8U BOT 1 2 7.982 1.418 0.000 0.00 1.00 -ATOM 1535 C8V BOT 1 2 7.982 1.418 3.350 0.00 1.00 -ATOM 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16.306 0.000 0.00 1.00 -ATOM 1556 C8q BOT 1 2 19.034 16.306 3.350 0.00 1.00 -ATOM 1557 C8r BOT 1 2 19.034 16.306 6.700 0.00 1.00 -ATOM 1558 C8s BOT 1 2 17.806 18.433 0.000 0.00 1.00 -ATOM 1559 C8t BOT 1 2 17.806 18.433 3.350 0.00 1.00 -ATOM 1560 C8u BOT 1 2 17.806 18.433 6.700 0.00 1.00 -ATOM 1561 C8v BOT 1 2 16.578 20.560 0.000 0.00 1.00 -ATOM 1562 C8w BOT 1 2 16.578 20.560 3.350 0.00 1.00 -ATOM 1563 C8x BOT 1 2 16.578 20.560 6.700 0.00 1.00 -ATOM 1564 C8y BOT 1 2 15.350 22.687 0.000 0.00 1.00 -ATOM 1565 C8z BOT 1 2 15.350 22.687 3.350 0.00 1.00 -ATOM 1566 C90 BOT 1 2 15.350 22.687 6.700 0.00 1.00 -ATOM 1567 C91 BOT 1 2 14.122 24.814 0.000 0.00 1.00 -ATOM 1568 C92 BOT 1 2 14.122 24.814 3.350 0.00 1.00 -ATOM 1569 C93 BOT 1 2 14.122 24.814 6.700 0.00 1.00 -ATOM 1570 C94 BOT 1 2 12.894 26.941 0.000 0.00 1.00 -ATOM 1571 C95 BOT 1 2 12.894 26.941 3.350 0.00 1.00 -ATOM 1572 C96 BOT 1 2 12.894 26.941 6.700 0.00 1.00 -ATOM 1573 C97 BOT 1 2 11.666 29.068 0.000 0.00 1.00 -ATOM 1574 C98 BOT 1 2 11.666 29.068 3.350 0.00 1.00 -ATOM 1575 C99 BOT 1 2 11.666 29.068 6.700 0.00 1.00 -ATOM 1576 C9A BOT 1 2 10.438 1.418 0.000 0.00 1.00 -ATOM 1577 C9B BOT 1 2 10.438 1.418 3.350 0.00 1.00 -ATOM 1578 C9C BOT 1 2 10.438 1.418 6.700 0.00 1.00 -ATOM 1579 C9D BOT 1 2 9.210 3.545 0.000 0.00 1.00 -ATOM 1580 C9E BOT 1 2 9.210 3.545 3.350 0.00 1.00 -ATOM 1581 C9F BOT 1 2 9.210 3.545 6.700 0.00 1.00 -ATOM 1582 C9G BOT 1 2 7.982 5.672 0.000 0.00 1.00 -ATOM 1583 C9H BOT 1 2 7.982 5.672 3.350 0.00 1.00 -ATOM 1584 C9I BOT 1 2 7.982 5.672 6.700 0.00 1.00 -ATOM 1585 C9J BOT 1 2 6.754 7.799 0.000 0.00 1.00 -ATOM 1586 C9K BOT 1 2 6.754 7.799 3.350 0.00 1.00 -ATOM 1587 C9L BOT 1 2 6.754 7.799 6.700 0.00 1.00 -ATOM 1588 C9M BOT 1 2 5.526 9.926 0.000 0.00 1.00 -ATOM 1589 C9N BOT 1 2 5.526 9.926 3.350 0.00 1.00 -ATOM 1590 C9O BOT 1 2 5.526 9.926 6.700 0.00 1.00 -ATOM 1591 C9P BOT 1 2 4.298 12.053 0.000 0.00 1.00 -ATOM 1592 C9Q BOT 1 2 4.298 12.053 3.350 0.00 1.00 -ATOM 1593 C9R BOT 1 2 4.298 12.053 6.700 0.00 1.00 -ATOM 1594 C9S BOT 1 2 3.070 14.180 0.000 0.00 1.00 -ATOM 1595 C9T BOT 1 2 3.070 14.180 3.350 0.00 1.00 -ATOM 1596 C9U BOT 1 2 3.070 14.180 6.700 0.00 1.00 -ATOM 1597 C9V BOT 1 2 21.490 16.306 0.000 0.00 1.00 -ATOM 1598 C9W BOT 1 2 21.490 16.306 3.350 0.00 1.00 -ATOM 1599 C9X BOT 1 2 21.490 16.306 6.700 0.00 1.00 -ATOM 1600 C9Y BOT 1 2 20.262 18.433 0.000 0.00 1.00 -ATOM 1601 C9Z BOT 1 2 20.262 18.433 3.350 0.00 1.00 -ATOM 1602 C9a BOT 1 2 20.262 18.433 6.700 0.00 1.00 -ATOM 1603 C9b BOT 1 2 19.034 20.560 0.000 0.00 1.00 -ATOM 1604 C9c BOT 1 2 19.034 20.560 3.350 0.00 1.00 -ATOM 1605 C9d BOT 1 2 19.034 20.560 6.700 0.00 1.00 -ATOM 1606 C9e BOT 1 2 17.806 22.687 0.000 0.00 1.00 -ATOM 1607 C9f BOT 1 2 17.806 22.687 3.350 0.00 1.00 -ATOM 1608 C9g BOT 1 2 17.806 22.687 6.700 0.00 1.00 -ATOM 1609 C9h BOT 1 2 16.578 24.814 0.000 0.00 1.00 -ATOM 1610 C9i BOT 1 2 16.578 24.814 3.350 0.00 1.00 -ATOM 1611 C9j BOT 1 2 16.578 24.814 6.700 0.00 1.00 -ATOM 1612 C9k BOT 1 2 15.350 26.941 0.000 0.00 1.00 -ATOM 1613 C9l BOT 1 2 15.350 26.941 3.350 0.00 1.00 -ATOM 1614 C9m BOT 1 2 15.350 26.941 6.700 0.00 1.00 -ATOM 1615 C9n BOT 1 2 14.122 29.068 0.000 0.00 1.00 -ATOM 1616 C9o BOT 1 2 14.122 29.068 3.350 0.00 1.00 -ATOM 1617 C9p BOT 1 2 14.122 29.068 6.700 0.00 1.00 -ATOM 1618 C9q BOT 1 2 12.894 1.418 0.000 0.00 1.00 -ATOM 1619 C9r BOT 1 2 12.894 1.418 3.350 0.00 1.00 -ATOM 1620 C9s BOT 1 2 12.894 1.418 6.700 0.00 1.00 -ATOM 1621 C9t BOT 1 2 11.666 3.545 0.000 0.00 1.00 -ATOM 1622 C9u BOT 1 2 11.666 3.545 3.350 0.00 1.00 -ATOM 1623 C9v BOT 1 2 11.666 3.545 6.700 0.00 1.00 -ATOM 1624 C9w BOT 1 2 10.438 5.672 0.000 0.00 1.00 -ATOM 1625 C9x BOT 1 2 10.438 5.672 3.350 0.00 1.00 -ATOM 1626 C9y BOT 1 2 10.438 5.672 6.700 0.00 1.00 -ATOM 1627 C9z BOT 1 2 9.210 7.799 0.000 0.00 1.00 -ATOM 1628 CA0 BOT 1 2 9.210 7.799 3.350 0.00 1.00 -ATOM 1629 CA1 BOT 1 2 9.210 7.799 6.700 0.00 1.00 -ATOM 1630 CA2 BOT 1 2 7.982 9.926 0.000 0.00 1.00 -ATOM 1631 CA3 BOT 1 2 7.982 9.926 3.350 0.00 1.00 -ATOM 1632 CA4 BOT 1 2 7.982 9.926 6.700 0.00 1.00 -ATOM 1633 CA5 BOT 1 2 6.754 12.053 0.000 0.00 1.00 -ATOM 1634 CA6 BOT 1 2 6.754 12.053 3.350 0.00 1.00 -ATOM 1635 CA7 BOT 1 2 6.754 12.053 6.700 0.00 1.00 -ATOM 1636 CA8 BOT 1 2 5.526 14.180 0.000 0.00 1.00 -ATOM 1637 CA9 BOT 1 2 5.526 14.180 3.350 0.00 1.00 -ATOM 1638 CAA BOT 1 2 5.526 14.180 6.700 0.00 1.00 -ATOM 1639 CAB BOT 1 2 23.946 16.306 0.000 0.00 1.00 -ATOM 1640 CAC BOT 1 2 23.946 16.306 3.350 0.00 1.00 -ATOM 1641 CAD BOT 1 2 23.946 16.306 6.700 0.00 1.00 -ATOM 1642 CAE BOT 1 2 22.718 18.433 0.000 0.00 1.00 -ATOM 1643 CAF BOT 1 2 22.718 18.433 3.350 0.00 1.00 -ATOM 1644 CAG BOT 1 2 22.718 18.433 6.700 0.00 1.00 -ATOM 1645 CAH BOT 1 2 21.490 20.560 0.000 0.00 1.00 -ATOM 1646 CAI BOT 1 2 21.490 20.560 3.350 0.00 1.00 -ATOM 1647 CAJ BOT 1 2 21.490 20.560 6.700 0.00 1.00 -ATOM 1648 CAK BOT 1 2 20.262 22.687 0.000 0.00 1.00 -ATOM 1649 CAL BOT 1 2 20.262 22.687 3.350 0.00 1.00 -ATOM 1650 CAM BOT 1 2 20.262 22.687 6.700 0.00 1.00 -ATOM 1651 CAN BOT 1 2 19.034 24.814 0.000 0.00 1.00 -ATOM 1652 CAO BOT 1 2 19.034 24.814 3.350 0.00 1.00 -ATOM 1653 CAP BOT 1 2 19.034 24.814 6.700 0.00 1.00 -ATOM 1654 CAQ BOT 1 2 17.806 26.941 0.000 0.00 1.00 -ATOM 1655 CAR BOT 1 2 17.806 26.941 3.350 0.00 1.00 -ATOM 1656 CAS BOT 1 2 17.806 26.941 6.700 0.00 1.00 -ATOM 1657 CAT BOT 1 2 16.578 29.068 0.000 0.00 1.00 -ATOM 1658 CAU BOT 1 2 16.578 29.068 3.350 0.00 1.00 -ATOM 1659 CAV BOT 1 2 16.578 29.068 6.700 0.00 1.00 -ATOM 1660 CAW BOT 1 2 15.350 1.418 0.000 0.00 1.00 -ATOM 1661 CAX BOT 1 2 15.350 1.418 3.350 0.00 1.00 -ATOM 1662 CAY BOT 1 2 15.350 1.418 6.700 0.00 1.00 -ATOM 1663 CAZ BOT 1 2 14.122 3.545 0.000 0.00 1.00 -ATOM 1664 CAa BOT 1 2 14.122 3.545 3.350 0.00 1.00 -ATOM 1665 CAb BOT 1 2 14.122 3.545 6.700 0.00 1.00 -ATOM 1666 CAc BOT 1 2 12.894 5.672 0.000 0.00 1.00 -ATOM 1667 CAd BOT 1 2 12.894 5.672 3.350 0.00 1.00 -ATOM 1668 CAe BOT 1 2 12.894 5.672 6.700 0.00 1.00 -ATOM 1669 CAf BOT 1 2 11.666 7.799 0.000 0.00 1.00 -ATOM 1670 CAg BOT 1 2 11.666 7.799 3.350 0.00 1.00 -ATOM 1671 CAh BOT 1 2 11.666 7.799 6.700 0.00 1.00 -ATOM 1672 CAi BOT 1 2 10.438 9.926 0.000 0.00 1.00 -ATOM 1673 CAj BOT 1 2 10.438 9.926 3.350 0.00 1.00 -ATOM 1674 CAk BOT 1 2 10.438 9.926 6.700 0.00 1.00 -ATOM 1675 CAl BOT 1 2 9.210 12.053 0.000 0.00 1.00 -ATOM 1676 CAm BOT 1 2 9.210 12.053 3.350 0.00 1.00 -ATOM 1677 CAn BOT 1 2 9.210 12.053 6.700 0.00 1.00 -ATOM 1678 CAo BOT 1 2 7.982 14.180 0.000 0.00 1.00 -ATOM 1679 CAp BOT 1 2 7.982 14.180 3.350 0.00 1.00 -ATOM 1680 CAq BOT 1 2 7.982 14.180 6.700 0.00 1.00 -ATOM 1681 CAr BOT 1 2 26.402 16.306 0.000 0.00 1.00 -ATOM 1682 CAs BOT 1 2 26.402 16.306 3.350 0.00 1.00 -ATOM 1683 CAt BOT 1 2 26.402 16.306 6.700 0.00 1.00 -ATOM 1684 CAu BOT 1 2 25.174 18.433 0.000 0.00 1.00 -ATOM 1685 CAv BOT 1 2 25.174 18.433 3.350 0.00 1.00 -ATOM 1686 CAw BOT 1 2 25.174 18.433 6.700 0.00 1.00 -ATOM 1687 CAx BOT 1 2 23.946 20.560 0.000 0.00 1.00 -ATOM 1688 CAy BOT 1 2 23.946 20.560 3.350 0.00 1.00 -ATOM 1689 CAz BOT 1 2 23.946 20.560 6.700 0.00 1.00 -ATOM 1690 CB0 BOT 1 2 22.718 22.687 0.000 0.00 1.00 -ATOM 1691 CB1 BOT 1 2 22.718 22.687 3.350 0.00 1.00 -ATOM 1692 CB2 BOT 1 2 22.718 22.687 6.700 0.00 1.00 -ATOM 1693 CB3 BOT 1 2 21.490 24.814 0.000 0.00 1.00 -ATOM 1694 CB4 BOT 1 2 21.490 24.814 3.350 0.00 1.00 -ATOM 1695 CB5 BOT 1 2 21.490 24.814 6.700 0.00 1.00 -ATOM 1696 CB6 BOT 1 2 20.262 26.941 0.000 0.00 1.00 -ATOM 1697 CB7 BOT 1 2 20.262 26.941 3.350 0.00 1.00 -ATOM 1698 CB8 BOT 1 2 20.262 26.941 6.700 0.00 1.00 -ATOM 1699 CB9 BOT 1 2 19.034 29.068 0.000 0.00 1.00 -ATOM 1700 CBA BOT 1 2 19.034 29.068 3.350 0.00 1.00 -ATOM 1701 CBB BOT 1 2 19.034 29.068 6.700 0.00 1.00 -ATOM 1702 CBC BOT 1 2 17.806 1.418 0.000 0.00 1.00 -ATOM 1703 CBD BOT 1 2 17.806 1.418 3.350 0.00 1.00 -ATOM 1704 CBE BOT 1 2 17.806 1.418 6.700 0.00 1.00 -ATOM 1705 CBF BOT 1 2 16.578 3.545 0.000 0.00 1.00 -ATOM 1706 CBG BOT 1 2 16.578 3.545 3.350 0.00 1.00 -ATOM 1707 CBH BOT 1 2 16.578 3.545 6.700 0.00 1.00 -ATOM 1708 CBI BOT 1 2 15.350 5.672 0.000 0.00 1.00 -ATOM 1709 CBJ BOT 1 2 15.350 5.672 3.350 0.00 1.00 -ATOM 1710 CBK BOT 1 2 15.350 5.672 6.700 0.00 1.00 -ATOM 1711 CBL BOT 1 2 14.122 7.799 0.000 0.00 1.00 -ATOM 1712 CBM BOT 1 2 14.122 7.799 3.350 0.00 1.00 -ATOM 1713 CBN BOT 1 2 14.122 7.799 6.700 0.00 1.00 -ATOM 1714 CBO BOT 1 2 12.894 9.926 0.000 0.00 1.00 -ATOM 1715 CBP BOT 1 2 12.894 9.926 3.350 0.00 1.00 -ATOM 1716 CBQ BOT 1 2 12.894 9.926 6.700 0.00 1.00 -ATOM 1717 CBR BOT 1 2 11.666 12.053 0.000 0.00 1.00 -ATOM 1718 CBS BOT 1 2 11.666 12.053 3.350 0.00 1.00 -ATOM 1719 CBT BOT 1 2 11.666 12.053 6.700 0.00 1.00 -ATOM 1720 CBU BOT 1 2 10.438 14.180 0.000 0.00 1.00 -ATOM 1721 CBV BOT 1 2 10.438 14.180 3.350 0.00 1.00 -ATOM 1722 CBW BOT 1 2 10.438 14.180 6.700 0.00 1.00 -ATOM 1723 CBX BOT 1 2 28.858 16.306 0.000 0.00 1.00 -ATOM 1724 CBY BOT 1 2 28.858 16.306 3.350 0.00 1.00 -ATOM 1725 CBZ BOT 1 2 28.858 16.306 6.700 0.00 1.00 -ATOM 1726 CBa BOT 1 2 27.630 18.433 0.000 0.00 1.00 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1.00 -ATOM 1746 CBu BOT 1 2 20.262 1.418 6.700 0.00 1.00 -ATOM 1747 CBv BOT 1 2 19.034 3.545 0.000 0.00 1.00 -ATOM 1748 CBw BOT 1 2 19.034 3.545 3.350 0.00 1.00 -ATOM 1749 CBx BOT 1 2 19.034 3.545 6.700 0.00 1.00 -ATOM 1750 CBy BOT 1 2 17.806 5.672 0.000 0.00 1.00 -ATOM 1751 CBz BOT 1 2 17.806 5.672 3.350 0.00 1.00 -ATOM 1752 CC0 BOT 1 2 17.806 5.672 6.700 0.00 1.00 -ATOM 1753 CC1 BOT 1 2 16.578 7.799 0.000 0.00 1.00 -ATOM 1754 CC2 BOT 1 2 16.578 7.799 3.350 0.00 1.00 -ATOM 1755 CC3 BOT 1 2 16.578 7.799 6.700 0.00 1.00 -ATOM 1756 CC4 BOT 1 2 15.350 9.926 0.000 0.00 1.00 -ATOM 1757 CC5 BOT 1 2 15.350 9.926 3.350 0.00 1.00 -ATOM 1758 CC6 BOT 1 2 15.350 9.926 6.700 0.00 1.00 -ATOM 1759 CC7 BOT 1 2 14.122 12.053 0.000 0.00 1.00 -ATOM 1760 CC8 BOT 1 2 14.122 12.053 3.350 0.00 1.00 -ATOM 1761 CC9 BOT 1 2 14.122 12.053 6.700 0.00 1.00 -ATOM 1762 CCA BOT 1 2 12.894 14.180 0.000 0.00 1.00 -ATOM 1763 CCB BOT 1 2 12.894 14.180 3.350 0.00 1.00 -ATOM 1764 CCC BOT 1 2 12.894 14.180 6.700 0.00 1.00 -ATOM 1765 CCD BOT 1 2 1.842 16.306 0.000 0.00 1.00 -ATOM 1766 CCE BOT 1 2 1.842 16.306 3.350 0.00 1.00 -ATOM 1767 CCF BOT 1 2 1.842 16.306 6.700 0.00 1.00 -ATOM 1768 CCG BOT 1 2 0.614 18.433 0.000 0.00 1.00 -ATOM 1769 CCH BOT 1 2 0.614 18.433 3.350 0.00 1.00 -ATOM 1770 CCI BOT 1 2 0.614 18.433 6.700 0.00 1.00 -ATOM 1771 CCJ BOT 1 2 28.858 20.560 0.000 0.00 1.00 -ATOM 1772 CCK BOT 1 2 28.858 20.560 3.350 0.00 1.00 -ATOM 1773 CCL BOT 1 2 28.858 20.560 6.700 0.00 1.00 -ATOM 1774 CCM BOT 1 2 27.630 22.687 0.000 0.00 1.00 -ATOM 1775 CCN BOT 1 2 27.630 22.687 3.350 0.00 1.00 -ATOM 1776 CCO BOT 1 2 27.630 22.687 6.700 0.00 1.00 -ATOM 1777 CCP BOT 1 2 26.402 24.814 0.000 0.00 1.00 -ATOM 1778 CCQ BOT 1 2 26.402 24.814 3.350 0.00 1.00 -ATOM 1779 CCR BOT 1 2 26.402 24.814 6.700 0.00 1.00 -ATOM 1780 CCS BOT 1 2 25.174 26.941 0.000 0.00 1.00 -ATOM 1781 CCT BOT 1 2 25.174 26.941 3.350 0.00 1.00 -ATOM 1782 CCU BOT 1 2 25.174 26.941 6.700 0.00 1.00 -ATOM 1783 CCV BOT 1 2 23.946 29.068 0.000 0.00 1.00 -ATOM 1784 CCW BOT 1 2 23.946 29.068 3.350 0.00 1.00 -ATOM 1785 CCX BOT 1 2 23.946 29.068 6.700 0.00 1.00 -ATOM 1786 CCY BOT 1 2 22.718 1.418 0.000 0.00 1.00 -ATOM 1787 CCZ BOT 1 2 22.718 1.418 3.350 0.00 1.00 -ATOM 1788 CCa BOT 1 2 22.718 1.418 6.700 0.00 1.00 -ATOM 1789 CCb BOT 1 2 21.490 3.545 0.000 0.00 1.00 -ATOM 1790 CCc BOT 1 2 21.490 3.545 3.350 0.00 1.00 -ATOM 1791 CCd BOT 1 2 21.490 3.545 6.700 0.00 1.00 -ATOM 1792 CCe BOT 1 2 20.262 5.672 0.000 0.00 1.00 -ATOM 1793 CCf BOT 1 2 20.262 5.672 3.350 0.00 1.00 -ATOM 1794 CCg BOT 1 2 20.262 5.672 6.700 0.00 1.00 -ATOM 1795 CCh BOT 1 2 19.034 7.799 0.000 0.00 1.00 -ATOM 1796 CCi BOT 1 2 19.034 7.799 3.350 0.00 1.00 -ATOM 1797 CCj BOT 1 2 19.034 7.799 6.700 0.00 1.00 -ATOM 1798 CCk BOT 1 2 17.806 9.926 0.000 0.00 1.00 -ATOM 1799 CCl BOT 1 2 17.806 9.926 3.350 0.00 1.00 -ATOM 1800 CCm BOT 1 2 17.806 9.926 6.700 0.00 1.00 -ATOM 1801 CCn BOT 1 2 16.578 12.053 0.000 0.00 1.00 -ATOM 1802 CCo BOT 1 2 16.578 12.053 3.350 0.00 1.00 -ATOM 1803 CCp BOT 1 2 16.578 12.053 6.700 0.00 1.00 -ATOM 1804 CCq BOT 1 2 15.350 14.180 0.000 0.00 1.00 -ATOM 1805 CCr BOT 1 2 15.350 14.180 3.350 0.00 1.00 -ATOM 1806 CCs BOT 1 2 15.350 14.180 6.700 0.00 1.00 -ATOM 1807 CCt BOT 1 2 4.298 16.306 0.000 0.00 1.00 -ATOM 1808 CCu BOT 1 2 4.298 16.306 3.350 0.00 1.00 -ATOM 1809 CCv BOT 1 2 4.298 16.306 6.700 0.00 1.00 -ATOM 1810 CCw BOT 1 2 3.070 18.433 0.000 0.00 1.00 -ATOM 1811 CCx BOT 1 2 3.070 18.433 3.350 0.00 1.00 -ATOM 1812 CCy BOT 1 2 3.070 18.433 6.700 0.00 1.00 -ATOM 1813 CCz BOT 1 2 1.842 20.560 0.000 0.00 1.00 -ATOM 1814 CD0 BOT 1 2 1.842 20.560 3.350 0.00 1.00 -ATOM 1815 CD1 BOT 1 2 1.842 20.560 6.700 0.00 1.00 -ATOM 1816 CD2 BOT 1 2 0.614 22.687 0.000 0.00 1.00 -ATOM 1817 CD3 BOT 1 2 0.614 22.687 3.350 0.00 1.00 -ATOM 1818 CD4 BOT 1 2 0.614 22.687 6.700 0.00 1.00 -ATOM 1819 CD5 BOT 1 2 28.858 24.814 0.000 0.00 1.00 -ATOM 1820 CD6 BOT 1 2 28.858 24.814 3.350 0.00 1.00 -ATOM 1821 CD7 BOT 1 2 28.858 24.814 6.700 0.00 1.00 -ATOM 1822 CD8 BOT 1 2 27.630 26.941 0.000 0.00 1.00 -ATOM 1823 CD9 BOT 1 2 27.630 26.941 3.350 0.00 1.00 -ATOM 1824 CDA BOT 1 2 27.630 26.941 6.700 0.00 1.00 -ATOM 1825 CDB BOT 1 2 26.402 29.068 0.000 0.00 1.00 -ATOM 1826 CDC BOT 1 2 26.402 29.068 3.350 0.00 1.00 -ATOM 1827 CDD BOT 1 2 26.402 29.068 6.700 0.00 1.00 -ATOM 1828 CDE BOT 1 2 25.174 1.418 0.000 0.00 1.00 -ATOM 1829 CDF BOT 1 2 25.174 1.418 3.350 0.00 1.00 -ATOM 1830 CDG BOT 1 2 25.174 1.418 6.700 0.00 1.00 -ATOM 1831 CDH BOT 1 2 23.946 3.545 0.000 0.00 1.00 -ATOM 1832 CDI BOT 1 2 23.946 3.545 3.350 0.00 1.00 -ATOM 1833 CDJ BOT 1 2 23.946 3.545 6.700 0.00 1.00 -ATOM 1834 CDK BOT 1 2 22.718 5.672 0.000 0.00 1.00 -ATOM 1835 CDL BOT 1 2 22.718 5.672 3.350 0.00 1.00 -ATOM 1836 CDM BOT 1 2 22.718 5.672 6.700 0.00 1.00 -ATOM 1837 CDN BOT 1 2 21.490 7.799 0.000 0.00 1.00 -ATOM 1838 CDO BOT 1 2 21.490 7.799 3.350 0.00 1.00 -ATOM 1839 CDP BOT 1 2 21.490 7.799 6.700 0.00 1.00 -ATOM 1840 CDQ BOT 1 2 20.262 9.926 0.000 0.00 1.00 -ATOM 1841 CDR BOT 1 2 20.262 9.926 3.350 0.00 1.00 -ATOM 1842 CDS BOT 1 2 20.262 9.926 6.700 0.00 1.00 -ATOM 1843 CDT BOT 1 2 19.034 12.053 0.000 0.00 1.00 -ATOM 1844 CDU BOT 1 2 19.034 12.053 3.350 0.00 1.00 -ATOM 1845 CDV BOT 1 2 19.034 12.053 6.700 0.00 1.00 -ATOM 1846 CDW BOT 1 2 17.806 14.180 0.000 0.00 1.00 -ATOM 1847 CDX BOT 1 2 17.806 14.180 3.350 0.00 1.00 -ATOM 1848 CDY BOT 1 2 17.806 14.180 6.700 0.00 1.00 -ATOM 1849 CDZ BOT 1 2 6.754 16.306 0.000 0.00 1.00 -ATOM 1850 CDa BOT 1 2 6.754 16.306 3.350 0.00 1.00 -ATOM 1851 CDb BOT 1 2 6.754 16.306 6.700 0.00 1.00 -ATOM 1852 CDc BOT 1 2 5.526 18.433 0.000 0.00 1.00 -ATOM 1853 CDd BOT 1 2 5.526 18.433 3.350 0.00 1.00 -ATOM 1854 CDe BOT 1 2 5.526 18.433 6.700 0.00 1.00 -ATOM 1855 CDf BOT 1 2 4.298 20.560 0.000 0.00 1.00 -ATOM 1856 CDg BOT 1 2 4.298 20.560 3.350 0.00 1.00 -ATOM 1857 CDh BOT 1 2 4.298 20.560 6.700 0.00 1.00 -ATOM 1858 CDi BOT 1 2 3.070 22.687 0.000 0.00 1.00 -ATOM 1859 CDj BOT 1 2 3.070 22.687 3.350 0.00 1.00 -ATOM 1860 CDk BOT 1 2 3.070 22.687 6.700 0.00 1.00 -ATOM 1861 CDl BOT 1 2 1.842 24.814 0.000 0.00 1.00 -ATOM 1862 CDm BOT 1 2 1.842 24.814 3.350 0.00 1.00 -ATOM 1863 CDn BOT 1 2 1.842 24.814 6.700 0.00 1.00 -ATOM 1864 CDo BOT 1 2 0.614 26.941 0.000 0.00 1.00 -ATOM 1865 CDp BOT 1 2 0.614 26.941 3.350 0.00 1.00 -ATOM 1866 CDq BOT 1 2 0.614 26.941 6.700 0.00 1.00 -ATOM 1867 CDr BOT 1 2 28.858 29.068 0.000 0.00 1.00 -ATOM 1868 CDs BOT 1 2 28.858 29.068 3.350 0.00 1.00 -ATOM 1869 CDt BOT 1 2 28.858 29.068 6.700 0.00 1.00 -ATOM 1870 CDu BOT 1 2 27.630 1.418 0.000 0.00 1.00 -ATOM 1871 CDv BOT 1 2 27.630 1.418 3.350 0.00 1.00 -ATOM 1872 CDw BOT 1 2 27.630 1.418 6.700 0.00 1.00 -ATOM 1873 CDx BOT 1 2 26.402 3.545 0.000 0.00 1.00 -ATOM 1874 CDy BOT 1 2 26.402 3.545 3.350 0.00 1.00 -ATOM 1875 CDz BOT 1 2 26.402 3.545 6.700 0.00 1.00 -ATOM 1876 CE0 BOT 1 2 25.174 5.672 0.000 0.00 1.00 -ATOM 1877 CE1 BOT 1 2 25.174 5.672 3.350 0.00 1.00 -ATOM 1878 CE2 BOT 1 2 25.174 5.672 6.700 0.00 1.00 -ATOM 1879 CE3 BOT 1 2 23.946 7.799 0.000 0.00 1.00 -ATOM 1880 CE4 BOT 1 2 23.946 7.799 3.350 0.00 1.00 -ATOM 1881 CE5 BOT 1 2 23.946 7.799 6.700 0.00 1.00 -ATOM 1882 CE6 BOT 1 2 22.718 9.926 0.000 0.00 1.00 -ATOM 1883 CE7 BOT 1 2 22.718 9.926 3.350 0.00 1.00 -ATOM 1884 CE8 BOT 1 2 22.718 9.926 6.700 0.00 1.00 -ATOM 1885 CE9 BOT 1 2 21.490 12.053 0.000 0.00 1.00 -ATOM 1886 CEA BOT 1 2 21.490 12.053 3.350 0.00 1.00 -ATOM 1887 CEB BOT 1 2 21.490 12.053 6.700 0.00 1.00 -ATOM 1888 CEC BOT 1 2 20.262 14.180 0.000 0.00 1.00 -ATOM 1889 CED BOT 1 2 20.262 14.180 3.350 0.00 1.00 -ATOM 1890 CEE BOT 1 2 20.262 14.180 6.700 0.00 1.00 -ATOM 1891 CEF BOT 1 2 9.210 16.306 0.000 0.00 1.00 -ATOM 1892 CEG BOT 1 2 9.210 16.306 3.350 0.00 1.00 -ATOM 1893 CEH BOT 1 2 9.210 16.306 6.700 0.00 1.00 -ATOM 1894 CEI BOT 1 2 7.982 18.433 0.000 0.00 1.00 -ATOM 1895 CEJ BOT 1 2 7.982 18.433 3.350 0.00 1.00 -ATOM 1896 CEK BOT 1 2 7.982 18.433 6.700 0.00 1.00 -ATOM 1897 CEL BOT 1 2 6.754 20.560 0.000 0.00 1.00 -ATOM 1898 CEM BOT 1 2 6.754 20.560 3.350 0.00 1.00 -ATOM 1899 CEN BOT 1 2 6.754 20.560 6.700 0.00 1.00 -ATOM 1900 CEO BOT 1 2 5.526 22.687 0.000 0.00 1.00 -ATOM 1901 CEP BOT 1 2 5.526 22.687 3.350 0.00 1.00 -ATOM 1902 CEQ BOT 1 2 5.526 22.687 6.700 0.00 1.00 -ATOM 1903 CER BOT 1 2 4.298 24.814 0.000 0.00 1.00 -ATOM 1904 CES BOT 1 2 4.298 24.814 3.350 0.00 1.00 -ATOM 1905 CET BOT 1 2 4.298 24.814 6.700 0.00 1.00 -ATOM 1906 CEU BOT 1 2 3.070 26.941 0.000 0.00 1.00 -ATOM 1907 CEV BOT 1 2 3.070 26.941 3.350 0.00 1.00 -ATOM 1908 CEW BOT 1 2 3.070 26.941 6.700 0.00 1.00 -ATOM 1909 CEX BOT 1 2 1.842 29.068 0.000 0.00 1.00 -ATOM 1910 CEY BOT 1 2 1.842 29.068 3.350 0.00 1.00 -ATOM 1911 CEZ BOT 1 2 1.842 29.068 6.700 0.00 1.00 -ATOM 1912 CEa BOT 1 2 0.614 1.418 0.000 0.00 1.00 -ATOM 1913 CEb BOT 1 2 0.614 1.418 3.350 0.00 1.00 -ATOM 1914 CEc BOT 1 2 0.614 1.418 6.700 0.00 1.00 -ATOM 1915 CEd BOT 1 2 28.858 3.545 0.000 0.00 1.00 -ATOM 1916 CEe BOT 1 2 28.858 3.545 3.350 0.00 1.00 -ATOM 1917 CEf BOT 1 2 28.858 3.545 6.700 0.00 1.00 -ATOM 1918 CEg BOT 1 2 27.630 5.672 0.000 0.00 1.00 -ATOM 1919 CEh BOT 1 2 27.630 5.672 3.350 0.00 1.00 -ATOM 1920 CEi BOT 1 2 27.630 5.672 6.700 0.00 1.00 -ATOM 1921 CEj BOT 1 2 26.402 7.799 0.000 0.00 1.00 -ATOM 1922 CEk BOT 1 2 26.402 7.799 3.350 0.00 1.00 -ATOM 1923 CEl BOT 1 2 26.402 7.799 6.700 0.00 1.00 -ATOM 1924 CEm BOT 1 2 25.174 9.926 0.000 0.00 1.00 -ATOM 1925 CEn BOT 1 2 25.174 9.926 3.350 0.00 1.00 -ATOM 1926 CEo BOT 1 2 25.174 9.926 6.700 0.00 1.00 -ATOM 1927 CEp BOT 1 2 23.946 12.053 0.000 0.00 1.00 -ATOM 1928 CEq BOT 1 2 23.946 12.053 3.350 0.00 1.00 -ATOM 1929 CEr BOT 1 2 23.946 12.053 6.700 0.00 1.00 -ATOM 1930 CEs BOT 1 2 22.718 14.180 0.000 0.00 1.00 -ATOM 1931 CEt BOT 1 2 22.718 14.180 3.350 0.00 1.00 -ATOM 1932 CEu BOT 1 2 22.718 14.180 6.700 0.00 1.00 -ATOM 1933 CEv BOT 1 2 11.666 16.306 0.000 0.00 1.00 -ATOM 1934 CEw BOT 1 2 11.666 16.306 3.350 0.00 1.00 -ATOM 1935 CEx BOT 1 2 11.666 16.306 6.700 0.00 1.00 -ATOM 1936 CEy BOT 1 2 10.438 18.433 0.000 0.00 1.00 -ATOM 1937 CEz BOT 1 2 10.438 18.433 3.350 0.00 1.00 -ATOM 1938 CF0 BOT 1 2 10.438 18.433 6.700 0.00 1.00 -ATOM 1939 CF1 BOT 1 2 9.210 20.560 0.000 0.00 1.00 -ATOM 1940 CF2 BOT 1 2 9.210 20.560 3.350 0.00 1.00 -ATOM 1941 CF3 BOT 1 2 9.210 20.560 6.700 0.00 1.00 -ATOM 1942 CF4 BOT 1 2 7.982 22.687 0.000 0.00 1.00 -ATOM 1943 CF5 BOT 1 2 7.982 22.687 3.350 0.00 1.00 -ATOM 1944 CF6 BOT 1 2 7.982 22.687 6.700 0.00 1.00 -ATOM 1945 CF7 BOT 1 2 6.754 24.814 0.000 0.00 1.00 -ATOM 1946 CF8 BOT 1 2 6.754 24.814 3.350 0.00 1.00 -ATOM 1947 CF9 BOT 1 2 6.754 24.814 6.700 0.00 1.00 -ATOM 1948 CFA BOT 1 2 5.526 26.941 0.000 0.00 1.00 -ATOM 1949 CFB BOT 1 2 5.526 26.941 3.350 0.00 1.00 -ATOM 1950 CFC BOT 1 2 5.526 26.941 6.700 0.00 1.00 -ATOM 1951 CFD BOT 1 2 4.298 29.068 0.000 0.00 1.00 -ATOM 1952 CFE BOT 1 2 4.298 29.068 3.350 0.00 1.00 -ATOM 1953 CFF BOT 1 2 4.298 29.068 6.700 0.00 1.00 -ATOM 1954 CFG BOT 1 2 3.070 1.418 0.000 0.00 1.00 -ATOM 1955 CFH BOT 1 2 3.070 1.418 3.350 0.00 1.00 -ATOM 1956 CFI BOT 1 2 3.070 1.418 6.700 0.00 1.00 -ATOM 1957 CFJ BOT 1 2 1.842 3.545 0.000 0.00 1.00 -ATOM 1958 CFK BOT 1 2 1.842 3.545 3.350 0.00 1.00 -ATOM 1959 CFL BOT 1 2 1.842 3.545 6.700 0.00 1.00 -ATOM 1960 CFM BOT 1 2 0.614 5.672 0.000 0.00 1.00 -ATOM 1961 CFN BOT 1 2 0.614 5.672 3.350 0.00 1.00 -ATOM 1962 CFO BOT 1 2 0.614 5.672 6.700 0.00 1.00 -ATOM 1963 CFP BOT 1 2 28.858 7.799 0.000 0.00 1.00 -ATOM 1964 CFQ BOT 1 2 28.858 7.799 3.350 0.00 1.00 -ATOM 1965 CFR BOT 1 2 28.858 7.799 6.700 0.00 1.00 -ATOM 1966 CFS BOT 1 2 27.630 9.926 0.000 0.00 1.00 -ATOM 1967 CFT BOT 1 2 27.630 9.926 3.350 0.00 1.00 -ATOM 1968 CFU BOT 1 2 27.630 9.926 6.700 0.00 1.00 -ATOM 1969 CFV BOT 1 2 26.402 12.053 0.000 0.00 1.00 -ATOM 1970 CFW BOT 1 2 26.402 12.053 3.350 0.00 1.00 -ATOM 1971 CFX BOT 1 2 26.402 12.053 6.700 0.00 1.00 -ATOM 1972 CFY BOT 1 2 25.174 14.180 0.000 0.00 1.00 -ATOM 1973 CFZ BOT 1 2 25.174 14.180 3.350 0.00 1.00 -ATOM 1974 CFa BOT 1 2 25.174 14.180 6.700 0.00 1.00 -ATOM 1975 CFb BOT 1 2 14.122 16.306 0.000 0.00 1.00 -ATOM 1976 CFc BOT 1 2 14.122 16.306 3.350 0.00 1.00 -ATOM 1977 CFd BOT 1 2 14.122 16.306 6.700 0.00 1.00 -ATOM 1978 CFe BOT 1 2 12.894 18.433 0.000 0.00 1.00 -ATOM 1979 CFf BOT 1 2 12.894 18.433 3.350 0.00 1.00 -ATOM 1980 CFg BOT 1 2 12.894 18.433 6.700 0.00 1.00 -ATOM 1981 CFh BOT 1 2 11.666 20.560 0.000 0.00 1.00 -ATOM 1982 CFi BOT 1 2 11.666 20.560 3.350 0.00 1.00 -ATOM 1983 CFj BOT 1 2 11.666 20.560 6.700 0.00 1.00 -ATOM 1984 CFk BOT 1 2 10.438 22.687 0.000 0.00 1.00 -ATOM 1985 CFl BOT 1 2 10.438 22.687 3.350 0.00 1.00 -ATOM 1986 CFm BOT 1 2 10.438 22.687 6.700 0.00 1.00 -ATOM 1987 CFn BOT 1 2 9.210 24.814 0.000 0.00 1.00 -ATOM 1988 CFo BOT 1 2 9.210 24.814 3.350 0.00 1.00 -ATOM 1989 CFp BOT 1 2 9.210 24.814 6.700 0.00 1.00 -ATOM 1990 CFq BOT 1 2 7.982 26.941 0.000 0.00 1.00 -ATOM 1991 CFr BOT 1 2 7.982 26.941 3.350 0.00 1.00 -ATOM 1992 CFs BOT 1 2 7.982 26.941 6.700 0.00 1.00 -ATOM 1993 CFt BOT 1 2 6.754 29.068 0.000 0.00 1.00 -ATOM 1994 CFu BOT 1 2 6.754 29.068 3.350 0.00 1.00 -ATOM 1995 CFv BOT 1 2 6.754 29.068 6.700 0.00 1.00 -ATOM 1996 CFw BOT 1 2 5.526 1.418 0.000 0.00 1.00 -ATOM 1997 CFx BOT 1 2 5.526 1.418 3.350 0.00 1.00 -ATOM 1998 CFy BOT 1 2 5.526 1.418 6.700 0.00 1.00 -ATOM 1999 CFz BOT 1 2 4.298 3.545 0.000 0.00 1.00 -ATOM 2000 CG0 BOT 1 2 4.298 3.545 3.350 0.00 1.00 -ATOM 2001 CG1 BOT 1 2 4.298 3.545 6.700 0.00 1.00 -ATOM 2002 CG2 BOT 1 2 3.070 5.672 0.000 0.00 1.00 -ATOM 2003 CG3 BOT 1 2 3.070 5.672 3.350 0.00 1.00 -ATOM 2004 CG4 BOT 1 2 3.070 5.672 6.700 0.00 1.00 -ATOM 2005 CG5 BOT 1 2 1.842 7.799 0.000 0.00 1.00 -ATOM 2006 CG6 BOT 1 2 1.842 7.799 3.350 0.00 1.00 -ATOM 2007 CG7 BOT 1 2 1.842 7.799 6.700 0.00 1.00 -ATOM 2008 CG8 BOT 1 2 0.614 9.926 0.000 0.00 1.00 -ATOM 2009 CG9 BOT 1 2 0.614 9.926 3.350 0.00 1.00 -ATOM 2010 CGA BOT 1 2 0.614 9.926 6.700 0.00 1.00 -ATOM 2011 CGB BOT 1 2 28.858 12.053 0.000 0.00 1.00 -ATOM 2012 CGC BOT 1 2 28.858 12.053 3.350 0.00 1.00 -ATOM 2013 CGD BOT 1 2 28.858 12.053 6.700 0.00 1.00 -ATOM 2014 CGE BOT 1 2 27.630 14.180 0.000 0.00 1.00 -ATOM 2015 CGF BOT 1 2 27.630 14.180 3.350 0.00 1.00 -ATOM 2016 CGG BOT 1 2 27.630 14.180 6.700 0.00 1.00 -ATOM 2017 O1 H2O 1 3 22.844 10.565 23.681 0.00 0.00 -ATOM 2018 H1 H2O 1 3 23.535 11.277 23.813 0.00 0.00 -ATOM 2019 H2 H2O 1 3 22.235 10.542 24.474 0.00 0.00 -ATOM 2020 O1 H2O 2 4 27.001 27.681 19.735 0.00 0.00 -ATOM 2021 H1 H2O 2 4 26.612 28.600 19.663 0.00 0.00 -ATOM 2022 H2 H2O 2 4 26.782 27.296 20.631 0.00 0.00 -ATOM 2023 O1 H2O 3 5 10.875 17.926 22.612 0.00 0.00 -ATOM 2024 H1 H2O 3 5 10.914 18.314 21.691 0.00 0.00 -ATOM 2025 H2 H2O 3 5 9.920 17.802 22.882 0.00 0.00 -ATOM 2026 O1 H2O 4 6 28.964 25.931 23.661 0.00 0.00 -ATOM 2027 H1 H2O 4 6 29.043 26.306 24.585 0.00 0.00 -ATOM 2028 H2 H2O 4 6 29.291 24.986 23.656 0.00 0.00 -ATOM 2029 O1 H2O 5 7 17.298 23.499 19.738 0.00 0.00 -ATOM 2030 H1 H2O 5 7 17.774 22.635 19.902 0.00 0.00 -ATOM 2031 H2 H2O 5 7 17.384 23.749 18.774 0.00 0.00 -ATOM 2032 O1 H2O 6 8 14.102 14.036 20.700 0.00 0.00 -ATOM 2033 H1 H2O 6 8 14.412 14.041 21.650 0.00 0.00 -ATOM 2034 H2 H2O 6 8 13.237 14.533 20.629 0.00 0.00 -ATOM 2035 O1 H2O 7 9 25.368 5.663 22.832 0.00 0.00 -ATOM 2036 H1 H2O 7 9 25.949 6.456 23.012 0.00 0.00 -ATOM 2037 H2 H2O 7 9 24.470 5.805 23.250 0.00 0.00 -ATOM 2038 O1 H2O 8 10 22.292 22.344 23.245 0.00 0.00 -ATOM 2039 H1 H2O 8 10 23.259 22.142 23.400 0.00 0.00 -ATOM 2040 H2 H2O 8 10 21.848 21.551 22.829 0.00 0.00 -ATOM 2041 O1 H2O 9 11 27.784 10.126 23.155 0.00 0.00 -ATOM 2042 H1 H2O 9 11 26.853 9.916 23.453 0.00 0.00 -ATOM 2043 H2 H2O 9 11 27.958 11.105 23.268 0.00 0.00 -ATOM 2044 O1 H2O 0 12 11.136 20.427 23.598 0.00 0.00 -ATOM 2045 H1 H2O 0 12 10.643 21.181 23.164 0.00 0.00 -ATOM 2046 H2 H2O 0 12 10.582 19.596 23.549 0.00 0.00 -ATOM 2047 O1 H2O 1 13 13.634 28.414 21.171 0.00 0.00 -ATOM 2048 H1 H2O 1 13 12.847 28.927 20.830 0.00 0.00 -ATOM 2049 H2 H2O 1 13 14.478 28.872 20.892 0.00 0.00 -ATOM 2050 O1 H2O 2 14 9.972 2.204 23.486 0.00 0.00 -ATOM 2051 H1 H2O 2 14 10.814 2.502 23.038 0.00 0.00 -ATOM 2052 H2 H2O 2 14 9.315 2.957 23.496 0.00 0.00 -ATOM 2053 O1 H2O 3 15 0.110 20.336 20.042 0.00 0.00 -ATOM 2054 H1 H2O 3 15 1.075 20.503 19.837 0.00 0.00 -ATOM 2055 H2 H2O 3 15 -0.067 19.352 20.033 0.00 0.00 -ATOM 2056 O1 H2O 4 16 27.363 7.279 23.651 0.00 0.00 -ATOM 2057 H1 H2O 4 16 28.230 7.734 23.852 0.00 0.00 -ATOM 2058 H2 H2O 4 16 26.610 7.813 24.035 0.00 0.00 -ATOM 2059 O1 H2O 5 17 18.471 25.730 23.008 0.00 0.00 -ATOM 2060 H1 H2O 5 17 19.374 25.309 23.094 0.00 0.00 -ATOM 2061 H2 H2O 5 17 17.765 25.038 23.160 0.00 0.00 -ATOM 2062 O1 H2O 6 18 0.610 7.901 20.792 0.00 0.00 -ATOM 2063 H1 H2O 6 18 1.141 8.284 21.549 0.00 0.00 -ATOM 2064 H2 H2O 6 18 -0.165 8.500 20.593 0.00 0.00 -ATOM 2065 O1 H2O 7 19 13.583 17.409 23.535 0.00 0.00 -ATOM 2066 H1 H2O 7 19 13.949 18.330 23.671 0.00 0.00 -ATOM 2067 H2 H2O 7 19 12.628 17.470 23.244 0.00 0.00 -ATOM 2068 O1 H2O 8 20 28.300 2.011 23.880 0.00 0.00 -ATOM 2069 H1 H2O 8 20 27.896 1.750 24.757 0.00 0.00 -ATOM 2070 H2 H2O 8 20 28.127 2.981 23.710 0.00 0.00 -ATOM 2071 O1 H2O 9 21 18.749 3.756 22.935 0.00 0.00 -ATOM 2072 H1 H2O 9 21 19.726 3.953 22.857 0.00 0.00 -ATOM 2073 H2 H2O 9 21 18.613 2.769 23.016 0.00 0.00 -ATOM 2074 O1 H2O 0 22 24.040 22.392 20.005 0.00 0.00 -ATOM 2075 H1 H2O 0 22 23.046 22.462 19.922 0.00 0.00 -ATOM 2076 H2 H2O 0 22 24.451 23.290 19.849 0.00 0.00 -ATOM 2077 O1 H2O 1 23 28.247 15.774 23.447 0.00 0.00 -ATOM 2078 H1 H2O 1 23 28.960 16.463 23.313 0.00 0.00 -ATOM 2079 H2 H2O 1 23 27.355 16.223 23.494 0.00 0.00 -ATOM 2080 O1 H2O 2 24 2.646 10.666 23.639 0.00 0.00 -ATOM 2081 H1 H2O 2 24 2.097 11.244 23.035 0.00 0.00 -ATOM 2082 H2 H2O 2 24 2.557 10.988 24.581 0.00 0.00 -ATOM 2083 O1 H2O 3 25 12.601 2.916 22.481 0.00 0.00 -ATOM 2084 H1 H2O 3 25 13.247 3.601 22.816 0.00 0.00 -ATOM 2085 H2 H2O 3 25 12.838 2.664 21.543 0.00 0.00 -ATOM 2086 O1 H2O 4 26 27.295 24.762 19.799 0.00 0.00 -ATOM 2087 H1 H2O 4 26 26.300 24.659 19.809 0.00 0.00 -ATOM 2088 H2 H2O 4 26 27.530 25.721 19.641 0.00 0.00 -ATOM 2089 O1 H2O 5 27 7.673 1.825 21.241 0.00 0.00 -ATOM 2090 H1 H2O 5 27 8.618 2.097 21.059 0.00 0.00 -ATOM 2091 H2 H2O 5 27 7.617 1.398 22.144 0.00 0.00 -ATOM 2092 O1 H2O 6 28 3.276 3.723 19.794 0.00 0.00 -ATOM 2093 H1 H2O 6 28 2.955 3.780 18.849 0.00 0.00 -ATOM 2094 H2 H2O 6 28 3.943 2.983 19.876 0.00 0.00 -ATOM 2095 O1 H2O 7 29 19.936 18.551 20.189 0.00 0.00 -ATOM 2096 H1 H2O 7 29 20.550 18.979 19.525 0.00 0.00 -ATOM 2097 H2 H2O 7 29 19.011 18.912 20.069 0.00 0.00 -ATOM 2098 O1 H2O 8 30 15.369 0.425 20.544 0.00 0.00 -ATOM 2099 H1 H2O 8 30 14.537 0.701 20.063 0.00 0.00 -ATOM 2100 H2 H2O 8 30 15.615 1.126 21.214 0.00 0.00 -ATOM 2101 O1 H2O 9 31 3.864 8.315 19.817 0.00 0.00 -ATOM 2102 H1 H2O 9 31 4.254 7.481 19.426 0.00 0.00 -ATOM 2103 H2 H2O 9 31 3.438 8.103 20.696 0.00 0.00 -ATOM 2104 O1 H2O 0 32 29.409 17.519 19.838 0.00 0.00 -ATOM 2105 H1 H2O 0 32 28.449 17.749 19.995 0.00 0.00 -ATOM 2106 H2 H2O 0 32 29.503 16.529 19.732 0.00 0.00 -ATOM 2107 O1 H2O 1 33 18.536 5.562 19.748 0.00 0.00 -ATOM 2108 H1 H2O 1 33 18.081 4.676 19.660 0.00 0.00 -ATOM 2109 H2 H2O 1 33 17.865 6.295 19.636 0.00 0.00 -ATOM 2110 O1 H2O 2 34 26.230 0.485 19.714 0.00 0.00 -ATOM 2111 H1 H2O 2 34 25.660 1.286 19.532 0.00 0.00 -ATOM 2112 H2 H2O 2 34 27.148 0.782 19.975 0.00 0.00 -ATOM 2113 O1 H2O 3 35 21.518 8.479 22.722 0.00 0.00 -ATOM 2114 H1 H2O 3 35 22.085 9.278 22.921 0.00 0.00 -ATOM 2115 H2 H2O 3 35 21.964 7.657 23.076 0.00 0.00 -ATOM 2116 O1 H2O 4 36 12.705 14.850 23.350 0.00 0.00 -ATOM 2117 H1 H2O 4 36 13.161 15.709 23.583 0.00 0.00 -ATOM 2118 H2 H2O 4 36 13.375 14.108 23.339 0.00 0.00 -ATOM 2119 O1 H2O 5 37 21.751 4.484 20.326 0.00 0.00 -ATOM 2120 H1 H2O 5 37 22.209 3.823 19.732 0.00 0.00 -ATOM 2121 H2 H2O 5 37 20.865 4.728 19.931 0.00 0.00 -ATOM 2122 O1 H2O 6 38 16.293 15.752 22.417 0.00 0.00 -ATOM 2123 H1 H2O 6 38 15.879 16.232 23.191 0.00 0.00 -ATOM 2124 H2 H2O 6 38 16.003 16.185 21.564 0.00 0.00 -ATOM 2125 O1 H2O 7 39 9.395 24.951 21.365 0.00 0.00 -ATOM 2126 H1 H2O 7 39 9.172 24.338 20.607 0.00 0.00 -ATOM 2127 H2 H2O 7 39 8.735 25.702 21.393 0.00 0.00 -ATOM 2128 O1 H2O 8 40 8.869 7.733 20.338 0.00 0.00 -ATOM 2129 H1 H2O 8 40 9.837 7.971 20.252 0.00 0.00 -ATOM 2130 H2 H2O 8 40 8.661 6.959 19.740 0.00 0.00 -ATOM 2131 O1 H2O 9 41 27.817 12.732 23.199 0.00 0.00 -ATOM 2132 H1 H2O 9 41 28.577 13.296 23.524 0.00 0.00 -ATOM 2133 H2 H2O 9 41 27.360 13.195 22.439 0.00 0.00 -ATOM 2134 O1 H2O 0 42 24.082 0.526 22.518 0.00 0.00 -ATOM 2135 H1 H2O 0 42 24.749 -0.186 22.301 0.00 0.00 -ATOM 2136 H2 H2O 0 42 24.556 1.327 22.884 0.00 0.00 -ATOM 2137 O1 H2O 1 43 19.007 22.366 23.063 0.00 0.00 -ATOM 2138 H1 H2O 1 43 19.753 23.007 23.245 0.00 0.00 -ATOM 2139 H2 H2O 1 43 19.122 21.551 23.631 0.00 0.00 -ATOM 2140 O1 H2O 2 44 28.677 5.785 19.628 0.00 0.00 -ATOM 2141 H1 H2O 2 44 29.075 6.608 20.035 0.00 0.00 -ATOM 2142 H2 H2O 2 44 27.710 5.945 19.431 0.00 0.00 -ATOM 2143 O1 H2O 3 45 4.464 19.058 23.298 0.00 0.00 -ATOM 2144 H1 H2O 3 45 3.680 19.495 22.857 0.00 0.00 -ATOM 2145 H2 H2O 3 45 4.286 18.079 23.400 0.00 0.00 -ATOM 2146 O1 H2O 4 46 20.254 27.596 19.851 0.00 0.00 -ATOM 2147 H1 H2O 4 46 20.780 28.038 19.124 0.00 0.00 -ATOM 2148 H2 H2O 4 46 19.321 27.955 19.853 0.00 0.00 -ATOM 2149 O1 H2O 5 47 29.119 20.571 22.887 0.00 0.00 -ATOM 2150 H1 H2O 5 47 28.919 20.669 21.912 0.00 0.00 -ATOM 2151 H2 H2O 5 47 28.285 20.313 23.374 0.00 0.00 -ATOM 2152 O1 H2O 6 48 5.518 7.240 22.869 0.00 0.00 -ATOM 2153 H1 H2O 6 48 5.893 7.987 22.321 0.00 0.00 -ATOM 2154 H2 H2O 6 48 6.206 6.930 23.525 0.00 0.00 -ATOM 2155 O1 H2O 7 49 24.995 19.698 19.745 0.00 0.00 -ATOM 2156 H1 H2O 7 49 24.339 19.185 20.299 0.00 0.00 -ATOM 2157 H2 H2O 7 49 24.715 20.657 19.701 0.00 0.00 -ATOM 2158 O1 H2O 8 50 12.506 26.894 23.088 0.00 0.00 -ATOM 2159 H1 H2O 8 50 12.933 27.001 22.190 0.00 0.00 -ATOM 2160 H2 H2O 8 50 12.223 27.790 23.432 0.00 0.00 -ATOM 2161 O1 H2O 9 51 13.650 7.150 22.654 0.00 0.00 -ATOM 2162 H1 H2O 9 51 13.699 7.805 21.900 0.00 0.00 -ATOM 2163 H2 H2O 9 51 12.735 7.174 23.057 0.00 0.00 -ATOM 2164 O1 H2O 0 52 26.581 19.620 23.742 0.00 0.00 -ATOM 2165 H1 H2O 0 52 25.870 20.206 23.352 0.00 0.00 -ATOM 2166 H2 H2O 0 52 26.796 19.929 24.669 0.00 0.00 -ATOM 2167 O1 H2O 1 53 18.597 19.749 23.661 0.00 0.00 -ATOM 2168 H1 H2O 1 53 19.314 19.060 23.560 0.00 0.00 -ATOM 2169 H2 H2O 1 53 17.769 19.439 23.194 0.00 0.00 -ATOM 2170 O1 H2O 2 54 0.409 8.796 23.781 0.00 0.00 -ATOM 2171 H1 H2O 2 54 1.186 9.403 23.951 0.00 0.00 -ATOM 2172 H2 H2O 2 54 -0.365 9.332 23.445 0.00 0.00 -ATOM 2173 O1 H2O 3 55 11.272 10.488 23.362 0.00 0.00 -ATOM 2174 H1 H2O 3 55 11.587 10.462 22.413 0.00 0.00 -ATOM 2175 H2 H2O 3 55 12.062 10.525 23.974 0.00 0.00 -ATOM 2176 O1 H2O 4 56 2.148 0.617 20.218 0.00 0.00 -ATOM 2177 H1 H2O 4 56 1.982 1.147 21.050 0.00 0.00 -ATOM 2178 H2 H2O 4 56 3.124 0.636 20.000 0.00 0.00 -ATOM 2179 O1 H2O 5 57 14.572 23.512 20.909 0.00 0.00 -ATOM 2180 H1 H2O 5 57 15.564 23.481 20.781 0.00 0.00 -ATOM 2181 H2 H2O 5 57 14.217 24.376 20.553 0.00 0.00 -ATOM 2182 O1 H2O 6 58 16.397 23.850 23.178 0.00 0.00 -ATOM 2183 H1 H2O 6 58 16.982 23.080 23.433 0.00 0.00 -ATOM 2184 H2 H2O 6 58 15.448 23.637 23.409 0.00 0.00 -ATOM 2185 O1 H2O 7 59 26.893 18.031 20.052 0.00 0.00 -ATOM 2186 H1 H2O 7 59 26.492 17.454 20.763 0.00 0.00 -ATOM 2187 H2 H2O 7 59 26.186 18.626 19.668 0.00 0.00 -ATOM 2188 O1 H2O 8 60 21.079 10.789 19.826 0.00 0.00 -ATOM 2189 H1 H2O 8 60 21.296 11.297 18.993 0.00 0.00 -ATOM 2190 H2 H2O 8 60 21.381 9.841 19.727 0.00 0.00 -ATOM 2191 O1 H2O 9 61 5.075 1.267 23.446 0.00 0.00 -ATOM 2192 H1 H2O 9 61 5.988 1.007 23.762 0.00 0.00 -ATOM 2193 H2 H2O 9 61 4.471 0.470 23.480 0.00 0.00 -ATOM 2194 O1 H2O 0 62 1.417 14.428 23.608 0.00 0.00 -ATOM 2195 H1 H2O 0 62 1.260 15.361 23.933 0.00 0.00 -ATOM 2196 H2 H2O 0 62 2.399 14.243 23.585 0.00 0.00 -ATOM 2197 O1 H2O 1 63 25.186 9.117 23.420 0.00 0.00 -ATOM 2198 H1 H2O 1 63 24.603 9.785 23.881 0.00 0.00 -ATOM 2199 H2 H2O 1 63 25.075 9.203 22.430 0.00 0.00 -ATOM 2200 O1 H2O 2 64 18.919 21.477 20.465 0.00 0.00 -ATOM 2201 H1 H2O 2 64 19.066 21.655 21.438 0.00 0.00 -ATOM 2202 H2 H2O 2 64 18.206 20.784 20.357 0.00 0.00 -ATOM 2203 O1 H2O 3 65 21.412 22.462 19.833 0.00 0.00 -ATOM 2204 H1 H2O 3 65 21.305 23.437 20.025 0.00 0.00 -ATOM 2205 H2 H2O 3 65 20.533 22.000 19.953 0.00 0.00 -ATOM 2206 O1 H2O 4 66 1.000 17.283 23.150 0.00 0.00 -ATOM 2207 H1 H2O 4 66 1.389 18.023 23.699 0.00 0.00 -ATOM 2208 H2 H2O 4 66 1.642 17.032 22.426 0.00 0.00 -ATOM 2209 O1 H2O 5 67 3.695 28.834 23.780 0.00 0.00 -ATOM 2210 H1 H2O 5 67 4.317 28.126 24.113 0.00 0.00 -ATOM 2211 H2 H2O 5 67 2.815 28.420 23.544 0.00 0.00 -ATOM 2212 O1 H2O 6 68 16.007 29.141 23.878 0.00 0.00 -ATOM 2213 H1 H2O 6 68 15.751 28.179 23.773 0.00 0.00 -ATOM 2214 H2 H2O 6 68 15.205 29.670 24.156 0.00 0.00 -ATOM 2215 O1 H2O 7 69 24.930 8.941 20.509 0.00 0.00 -ATOM 2216 H1 H2O 7 69 24.000 8.667 20.266 0.00 0.00 -ATOM 2217 H2 H2O 7 69 25.026 9.930 20.400 0.00 0.00 -ATOM 2218 O1 H2O 8 70 14.163 10.427 23.761 0.00 0.00 -ATOM 2219 H1 H2O 8 70 14.711 10.180 22.963 0.00 0.00 -ATOM 2220 H2 H2O 8 70 13.956 9.604 24.291 0.00 0.00 -ATOM 2221 O1 H2O 9 71 19.610 10.562 23.112 0.00 0.00 -ATOM 2222 H1 H2O 9 71 19.965 11.494 23.042 0.00 0.00 -ATOM 2223 H2 H2O 9 71 20.268 9.924 22.713 0.00 0.00 -ATOM 2224 O1 H2O 0 72 2.560 18.225 19.825 0.00 0.00 -ATOM 2225 H1 H2O 0 72 2.779 19.184 20.008 0.00 0.00 -ATOM 2226 H2 H2O 0 72 1.569 18.119 19.744 0.00 0.00 -ATOM 2227 O1 H2O 1 73 11.135 29.377 23.530 0.00 0.00 -ATOM 2228 H1 H2O 1 73 10.821 30.286 23.255 0.00 0.00 -ATOM 2229 H2 H2O 1 73 10.345 28.779 23.667 0.00 0.00 -ATOM 2230 O1 H2O 2 74 23.630 27.827 20.130 0.00 0.00 -ATOM 2231 H1 H2O 2 74 23.660 27.671 21.117 0.00 0.00 -ATOM 2232 H2 H2O 2 74 23.097 28.652 19.938 0.00 0.00 -ATOM 2233 O1 H2O 3 75 20.395 17.704 22.971 0.00 0.00 -ATOM 2234 H1 H2O 3 75 20.440 16.772 23.331 0.00 0.00 -ATOM 2235 H2 H2O 3 75 20.211 17.673 21.988 0.00 0.00 -ATOM 2236 O1 H2O 4 76 23.006 13.117 21.066 0.00 0.00 -ATOM 2237 H1 H2O 4 76 22.332 12.381 21.000 0.00 0.00 -ATOM 2238 H2 H2O 4 76 22.734 13.754 21.787 0.00 0.00 -ATOM 2239 O1 H2O 5 77 9.758 12.404 20.787 0.00 0.00 -ATOM 2240 H1 H2O 5 77 10.167 13.054 21.428 0.00 0.00 -ATOM 2241 H2 H2O 5 77 10.413 11.673 20.591 0.00 0.00 -ATOM 2242 O1 H2O 6 78 27.602 21.885 20.634 0.00 0.00 -ATOM 2243 H1 H2O 6 78 27.642 22.661 20.005 0.00 0.00 -ATOM 2244 H2 H2O 6 78 28.329 21.236 20.411 0.00 0.00 -ATOM 2245 O1 H2O 7 79 8.393 4.645 22.876 0.00 0.00 -ATOM 2246 H1 H2O 7 79 7.541 4.172 23.099 0.00 0.00 -ATOM 2247 H2 H2O 7 79 8.324 5.603 23.154 0.00 0.00 -ATOM 2248 O1 H2O 8 80 6.738 23.472 23.347 0.00 0.00 -ATOM 2249 H1 H2O 8 80 5.744 23.365 23.353 0.00 0.00 -ATOM 2250 H2 H2O 8 80 7.165 22.645 23.711 0.00 0.00 -ATOM 2251 O1 H2O 9 81 27.876 0.100 22.167 0.00 0.00 -ATOM 2252 H1 H2O 9 81 28.170 0.036 21.213 0.00 0.00 -ATOM 2253 H2 H2O 9 81 27.946 1.049 22.474 0.00 0.00 -ATOM 2254 O1 H2O 0 82 23.631 27.339 22.766 0.00 0.00 -ATOM 2255 H1 H2O 0 82 24.158 27.931 23.375 0.00 0.00 -ATOM 2256 H2 H2O 0 82 22.670 27.615 22.781 0.00 0.00 -ATOM 2257 O1 H2O 1 83 17.249 9.078 19.799 0.00 0.00 -ATOM 2258 H1 H2O 1 83 16.686 9.745 20.289 0.00 0.00 -ATOM 2259 H2 H2O 1 83 17.953 8.722 20.413 0.00 0.00 -ATOM 2260 O1 H2O 2 84 0.484 23.999 20.218 0.00 0.00 -ATOM 2261 H1 H2O 2 84 -0.378 24.397 19.903 0.00 0.00 -ATOM 2262 H2 H2O 2 84 0.318 23.458 21.043 0.00 0.00 -ATOM 2263 O1 H2O 3 85 27.960 2.720 20.196 0.00 0.00 -ATOM 2264 H1 H2O 3 85 27.634 3.528 19.704 0.00 0.00 -ATOM 2265 H2 H2O 3 85 28.908 2.863 20.480 0.00 0.00 -ATOM 2266 O1 H2O 4 86 9.995 2.507 19.853 0.00 0.00 -ATOM 2267 H1 H2O 4 86 10.065 3.505 19.843 0.00 0.00 -ATOM 2268 H2 H2O 4 86 9.570 2.194 19.003 0.00 0.00 -ATOM 2269 O1 H2O 5 87 29.119 29.444 19.646 0.00 0.00 -ATOM 2270 H1 H2O 5 87 28.762 28.530 19.455 0.00 0.00 -ATOM 2271 H2 H2O 5 87 30.117 29.431 19.589 0.00 0.00 -ATOM 2272 O1 H2O 6 88 18.915 14.904 22.828 0.00 0.00 -ATOM 2273 H1 H2O 6 88 19.435 15.161 22.014 0.00 0.00 -ATOM 2274 H2 H2O 6 88 17.974 15.230 22.740 0.00 0.00 -ATOM 2275 O1 H2O 7 89 22.613 15.513 20.019 0.00 0.00 -ATOM 2276 H1 H2O 7 89 21.701 15.607 19.619 0.00 0.00 -ATOM 2277 H2 H2O 7 89 22.792 14.550 20.219 0.00 0.00 -ATOM 2278 O1 H2O 8 90 6.746 12.612 20.532 0.00 0.00 -ATOM 2279 H1 H2O 8 90 6.175 11.880 20.162 0.00 0.00 -ATOM 2280 H2 H2O 8 90 7.707 12.338 20.492 0.00 0.00 -ATOM 2281 O1 H2O 9 91 7.455 20.350 20.443 0.00 0.00 -ATOM 2282 H1 H2O 9 91 7.779 19.455 20.139 0.00 0.00 -ATOM 2283 H2 H2O 9 91 6.539 20.258 20.834 0.00 0.00 -ATOM 2284 O1 H2O 0 92 0.302 14.716 19.736 0.00 0.00 -ATOM 2285 H1 H2O 0 92 -0.394 14.740 20.454 0.00 0.00 -ATOM 2286 H2 H2O 0 92 0.410 13.777 19.408 0.00 0.00 -ATOM 2287 O1 H2O 1 93 7.858 22.796 19.703 0.00 0.00 -ATOM 2288 H1 H2O 1 93 7.501 21.904 19.978 0.00 0.00 -ATOM 2289 H2 H2O 1 93 7.999 22.808 18.713 0.00 0.00 -ATOM 2290 O1 H2O 2 94 25.082 11.480 20.383 0.00 0.00 -ATOM 2291 H1 H2O 2 94 24.228 12.000 20.390 0.00 0.00 -ATOM 2292 H2 H2O 2 94 25.857 12.111 20.413 0.00 0.00 -ATOM 2293 O1 H2O 3 95 25.116 12.145 23.440 0.00 0.00 -ATOM 2294 H1 H2O 3 95 24.949 12.126 22.454 0.00 0.00 -ATOM 2295 H2 H2O 3 95 26.097 12.238 23.610 0.00 0.00 -ATOM 2296 O1 H2O 4 96 5.380 18.432 20.394 0.00 0.00 -ATOM 2297 H1 H2O 4 96 5.214 18.285 21.369 0.00 0.00 -ATOM 2298 H2 H2O 4 96 4.512 18.398 19.899 0.00 0.00 -ATOM 2299 O1 H2O 5 97 8.423 17.745 19.875 0.00 0.00 -ATOM 2300 H1 H2O 5 97 8.782 16.892 20.254 0.00 0.00 -ATOM 2301 H2 H2O 5 97 7.499 17.591 19.525 0.00 0.00 -ATOM 2302 O1 H2O 6 98 7.461 28.856 20.250 0.00 0.00 -ATOM 2303 H1 H2O 6 98 7.562 29.715 20.752 0.00 0.00 -ATOM 2304 H2 H2O 6 98 6.913 29.012 19.428 0.00 0.00 -ATOM 2305 O1 H2O 7 99 20.882 24.672 22.853 0.00 0.00 -ATOM 2306 H1 H2O 7 99 21.128 24.962 21.928 0.00 0.00 -ATOM 2307 H2 H2O 7 99 21.539 23.991 23.175 0.00 0.00 -ATOM 2308 O1 H2O 8 100 14.736 13.036 23.260 0.00 0.00 -ATOM 2309 H1 H2O 8 100 15.628 13.073 23.710 0.00 0.00 -ATOM 2310 H2 H2O 8 100 14.306 12.152 23.444 0.00 0.00 -ATOM 2311 O1 H2O 9 101 22.684 6.331 23.875 0.00 0.00 -ATOM 2312 H1 H2O 9 101 22.304 5.563 23.359 0.00 0.00 -ATOM 2313 H2 H2O 9 101 22.761 6.079 24.839 0.00 0.00 -ATOM 2314 O1 H2O 0 102 11.701 7.765 20.206 0.00 0.00 -ATOM 2315 H1 H2O 0 102 12.645 8.005 19.980 0.00 0.00 -ATOM 2316 H2 H2O 0 102 11.647 6.789 20.418 0.00 0.00 -ATOM 2317 O1 H2O 1 103 5.156 22.726 20.893 0.00 0.00 -ATOM 2318 H1 H2O 1 103 5.960 23.133 20.458 0.00 0.00 -ATOM 2319 H2 H2O 1 103 4.364 22.828 20.292 0.00 0.00 -ATOM 2320 O1 H2O 2 104 9.144 27.819 23.889 0.00 0.00 -ATOM 2321 H1 H2O 2 104 8.672 27.249 23.217 0.00 0.00 -ATOM 2322 H2 H2O 2 104 9.334 27.278 24.709 0.00 0.00 -ATOM 2323 O1 H2O 3 105 23.390 17.925 21.057 0.00 0.00 -ATOM 2324 H1 H2O 3 105 23.194 17.634 21.993 0.00 0.00 -ATOM 2325 H2 H2O 3 105 23.224 17.164 20.429 0.00 0.00 -ATOM 2326 O1 H2O 4 106 12.934 21.232 20.438 0.00 0.00 -ATOM 2327 H1 H2O 4 106 13.522 22.017 20.637 0.00 0.00 -ATOM 2328 H2 H2O 4 106 13.496 20.410 20.346 0.00 0.00 -ATOM 2329 O1 H2O 5 107 1.210 12.320 21.919 0.00 0.00 -ATOM 2330 H1 H2O 5 107 0.976 13.069 22.539 0.00 0.00 -ATOM 2331 H2 H2O 5 107 0.474 12.196 21.254 0.00 0.00 -ATOM 2332 O1 H2O 6 108 17.538 14.345 20.109 0.00 0.00 -ATOM 2333 H1 H2O 6 108 17.990 13.456 20.038 0.00 0.00 -ATOM 2334 H2 H2O 6 108 16.823 14.301 20.807 0.00 0.00 -ATOM 2335 O1 H2O 7 109 7.496 4.488 20.111 0.00 0.00 -ATOM 2336 H1 H2O 7 109 7.644 4.424 21.098 0.00 0.00 -ATOM 2337 H2 H2O 7 109 7.788 3.637 19.675 0.00 0.00 -ATOM 2338 O1 H2O 8 110 17.409 12.660 23.805 0.00 0.00 -ATOM 2339 H1 H2O 8 110 17.891 13.501 23.562 0.00 0.00 -ATOM 2340 H2 H2O 8 110 17.931 12.165 24.500 0.00 0.00 -ATOM 2341 O1 H2O 9 111 21.727 1.437 23.779 0.00 0.00 -ATOM 2342 H1 H2O 9 111 21.940 1.258 24.740 0.00 0.00 -ATOM 2343 H2 H2O 9 111 22.436 1.034 23.200 0.00 0.00 -ATOM 2344 O1 H2O 0 112 10.317 13.382 23.356 0.00 0.00 -ATOM 2345 H1 H2O 0 112 10.429 12.484 23.781 0.00 0.00 -ATOM 2346 H2 H2O 0 112 11.021 14.004 23.700 0.00 0.00 -ATOM 2347 O1 H2O 1 113 13.999 20.275 23.428 0.00 0.00 -ATOM 2348 H1 H2O 1 113 14.422 20.949 24.033 0.00 0.00 -ATOM 2349 H2 H2O 1 113 13.057 20.110 23.719 0.00 0.00 -ATOM 2350 O1 H2O 2 114 2.839 20.829 20.402 0.00 0.00 -ATOM 2351 H1 H2O 2 114 2.611 20.970 21.365 0.00 0.00 -ATOM 2352 H2 H2O 2 114 3.128 21.697 19.997 0.00 0.00 -ATOM 2353 O1 H2O 3 115 14.300 11.461 20.571 0.00 0.00 -ATOM 2354 H1 H2O 3 115 14.053 12.423 20.448 0.00 0.00 -ATOM 2355 H2 H2O 3 115 15.200 11.401 21.003 0.00 0.00 -ATOM 2356 O1 H2O 4 116 19.497 8.103 20.956 0.00 0.00 -ATOM 2357 H1 H2O 4 116 19.365 7.123 20.812 0.00 0.00 -ATOM 2358 H2 H2O 4 116 20.111 8.247 21.732 0.00 0.00 -ATOM 2359 O1 H2O 5 117 2.338 20.774 23.052 0.00 0.00 -ATOM 2360 H1 H2O 5 117 2.845 21.478 23.549 0.00 0.00 -ATOM 2361 H2 H2O 5 117 1.363 20.995 23.063 0.00 0.00 -ATOM 2362 O1 H2O 6 118 11.138 7.289 23.713 0.00 0.00 -ATOM 2363 H1 H2O 6 118 10.273 6.926 23.366 0.00 0.00 -ATOM 2364 H2 H2O 6 118 10.961 8.106 24.261 0.00 0.00 -ATOM 2365 O1 H2O 7 119 16.855 5.837 23.439 0.00 0.00 -ATOM 2366 H1 H2O 7 119 17.180 6.735 23.733 0.00 0.00 -ATOM 2367 H2 H2O 7 119 17.638 5.243 23.253 0.00 0.00 -ATOM 2368 O1 H2O 8 120 8.261 7.378 23.018 0.00 0.00 -ATOM 2369 H1 H2O 8 120 8.278 8.281 23.448 0.00 0.00 -ATOM 2370 H2 H2O 8 120 8.116 7.479 22.034 0.00 0.00 -ATOM 2371 O1 H2O 9 121 5.701 15.104 20.169 0.00 0.00 -ATOM 2372 H1 H2O 9 121 6.030 14.200 20.444 0.00 0.00 -ATOM 2373 H2 H2O 9 121 4.719 15.060 19.987 0.00 0.00 -ATOM 2374 O1 H2O 0 122 18.575 28.268 23.571 0.00 0.00 -ATOM 2375 H1 H2O 0 122 17.681 28.630 23.838 0.00 0.00 -ATOM 2376 H2 H2O 0 122 18.469 27.329 23.243 0.00 0.00 -ATOM 2377 O1 H2O 1 123 20.583 13.040 23.612 0.00 0.00 -ATOM 2378 H1 H2O 1 123 19.886 13.681 23.291 0.00 0.00 -ATOM 2379 H2 H2O 1 123 21.460 13.513 23.690 0.00 0.00 -ATOM 2380 O1 H2O 2 124 13.552 3.148 20.060 0.00 0.00 -ATOM 2381 H1 H2O 2 124 13.261 2.444 19.412 0.00 0.00 -ATOM 2382 H2 H2O 2 124 13.752 3.994 19.566 0.00 0.00 -ATOM 2383 O1 H2O 3 125 21.641 20.082 22.192 0.00 0.00 -ATOM 2384 H1 H2O 3 125 21.242 19.268 22.615 0.00 0.00 -ATOM 2385 H2 H2O 3 125 22.336 19.806 21.529 0.00 0.00 -ATOM 2386 O1 H2O 4 126 26.021 17.044 22.861 0.00 0.00 -ATOM 2387 H1 H2O 4 126 26.306 17.952 23.169 0.00 0.00 -ATOM 2388 H2 H2O 4 126 25.023 17.006 22.814 0.00 0.00 -ATOM 2389 O1 H2O 5 127 16.902 25.946 20.727 0.00 0.00 -ATOM 2390 H1 H2O 5 127 17.534 26.102 21.486 0.00 0.00 -ATOM 2391 H2 H2O 5 127 17.168 25.115 20.238 0.00 0.00 -ATOM 2392 O1 H2O 6 128 5.041 10.856 19.822 0.00 0.00 -ATOM 2393 H1 H2O 6 128 4.753 9.927 19.590 0.00 0.00 -ATOM 2394 H2 H2O 6 128 4.244 11.392 20.101 0.00 0.00 -ATOM 2395 O1 H2O 7 129 13.561 0.727 23.658 0.00 0.00 -ATOM 2396 H1 H2O 7 129 12.847 0.036 23.545 0.00 0.00 -ATOM 2397 H2 H2O 7 129 13.264 1.584 23.236 0.00 0.00 -ATOM 2398 O1 H2O 8 130 6.617 9.304 21.332 0.00 0.00 -ATOM 2399 H1 H2O 8 130 6.131 10.143 21.089 0.00 0.00 -ATOM 2400 H2 H2O 8 130 6.667 8.704 20.533 0.00 0.00 -ATOM 2401 O1 H2O 9 131 13.718 23.598 23.606 0.00 0.00 -ATOM 2402 H1 H2O 9 131 13.598 23.484 22.620 0.00 0.00 -ATOM 2403 H2 H2O 9 131 12.822 23.613 24.052 0.00 0.00 -ATOM 2404 O1 H2O 0 132 25.179 2.769 23.348 0.00 0.00 -ATOM 2405 H1 H2O 0 132 25.075 3.704 23.687 0.00 0.00 -ATOM 2406 H2 H2O 0 132 26.039 2.691 22.843 0.00 0.00 -ATOM 2407 O1 H2O 1 133 1.189 5.920 23.419 0.00 0.00 -ATOM 2408 H1 H2O 1 133 2.020 5.822 22.871 0.00 0.00 -ATOM 2409 H2 H2O 1 133 0.929 6.885 23.460 0.00 0.00 -ATOM 2410 O1 H2O 2 134 8.453 10.108 23.432 0.00 0.00 -ATOM 2411 H1 H2O 2 134 9.433 9.933 23.338 0.00 0.00 -ATOM 2412 H2 H2O 2 134 8.072 10.357 22.541 0.00 0.00 -ATOM 2413 O1 H2O 3 135 3.754 23.163 23.971 0.00 0.00 -ATOM 2414 H1 H2O 3 135 3.690 23.933 23.337 0.00 0.00 -ATOM 2415 H2 H2O 3 135 3.617 23.489 24.907 0.00 0.00 -ATOM 2416 O1 H2O 4 136 17.591 28.532 20.091 0.00 0.00 -ATOM 2417 H1 H2O 4 136 17.193 27.643 20.318 0.00 0.00 -ATOM 2418 H2 H2O 4 136 16.916 29.251 20.255 0.00 0.00 -ATOM 2419 O1 H2O 5 137 25.900 5.665 19.916 0.00 0.00 -ATOM 2420 H1 H2O 5 137 25.121 6.280 19.799 0.00 0.00 -ATOM 2421 H2 H2O 5 137 25.974 5.401 20.878 0.00 0.00 -ATOM 2422 O1 H2O 6 138 0.716 4.000 21.128 0.00 0.00 -ATOM 2423 H1 H2O 6 138 0.250 4.725 20.621 0.00 0.00 -ATOM 2424 H2 H2O 6 138 1.671 3.951 20.837 0.00 0.00 -ATOM 2425 O1 H2O 7 139 11.178 24.472 23.468 0.00 0.00 -ATOM 2426 H1 H2O 7 139 10.436 24.470 22.797 0.00 0.00 -ATOM 2427 H2 H2O 7 139 11.670 25.341 23.417 0.00 0.00 -ATOM 2428 O1 H2O 8 140 2.938 15.529 19.691 0.00 0.00 -ATOM 2429 H1 H2O 8 140 1.955 15.344 19.678 0.00 0.00 -ATOM 2430 H2 H2O 8 140 3.091 16.510 19.806 0.00 0.00 -ATOM 2431 O1 H2O 9 141 24.243 2.373 19.663 0.00 0.00 -ATOM 2432 H1 H2O 9 141 24.185 2.803 20.564 0.00 0.00 -ATOM 2433 H2 H2O 9 141 24.171 3.074 18.954 0.00 0.00 -ATOM 2434 O1 H2O 0 142 0.371 27.564 21.664 0.00 0.00 -ATOM 2435 H1 H2O 0 142 0.023 26.881 22.306 0.00 0.00 -ATOM 2436 H2 H2O 0 142 0.168 28.480 22.009 0.00 0.00 -ATOM 2437 O1 H2O 1 143 14.532 4.690 23.358 0.00 0.00 -ATOM 2438 H1 H2O 1 143 15.513 4.864 23.447 0.00 0.00 -ATOM 2439 H2 H2O 1 143 14.074 5.519 23.037 0.00 0.00 -ATOM 2440 O1 H2O 2 144 8.967 15.002 20.409 0.00 0.00 -ATOM 2441 H1 H2O 2 144 9.194 14.059 20.650 0.00 0.00 -ATOM 2442 H2 H2O 2 144 8.234 15.005 19.728 0.00 0.00 -ATOM 2443 O1 H2O 3 145 14.427 25.767 19.534 0.00 0.00 -ATOM 2444 H1 H2O 3 145 15.153 26.215 20.056 0.00 0.00 -ATOM 2445 H2 H2O 3 145 14.313 26.232 18.655 0.00 0.00 -ATOM 2446 O1 H2O 4 146 16.098 2.386 22.449 0.00 0.00 -ATOM 2447 H1 H2O 4 146 16.572 2.977 21.796 0.00 0.00 -ATOM 2448 H2 H2O 4 146 15.392 2.912 22.923 0.00 0.00 -ATOM 2449 O1 H2O 5 147 18.364 11.668 20.271 0.00 0.00 -ATOM 2450 H1 H2O 5 147 19.263 11.231 20.306 0.00 0.00 -ATOM 2451 H2 H2O 5 147 17.716 11.061 19.810 0.00 0.00 -ATOM 2452 O1 H2O 6 148 4.935 1.922 20.576 0.00 0.00 -ATOM 2453 H1 H2O 6 148 4.942 1.720 21.555 0.00 0.00 -ATOM 2454 H2 H2O 6 148 5.867 1.868 20.217 0.00 0.00 -ATOM 2455 O1 H2O 7 149 3.914 25.095 22.011 0.00 0.00 -ATOM 2456 H1 H2O 7 149 4.202 24.258 21.546 0.00 0.00 -ATOM 2457 H2 H2O 7 149 3.354 25.644 21.391 0.00 0.00 -ATOM 2458 O1 H2O 8 150 3.220 8.384 22.428 0.00 0.00 -ATOM 2459 H1 H2O 8 150 4.122 8.145 22.786 0.00 0.00 -ATOM 2460 H2 H2O 8 150 2.924 9.253 22.824 0.00 0.00 -ATOM 2461 O1 H2O 9 151 4.144 13.904 23.432 0.00 0.00 -ATOM 2462 H1 H2O 9 151 4.535 14.789 23.684 0.00 0.00 -ATOM 2463 H2 H2O 9 151 4.871 13.219 23.389 0.00 0.00 -ATOM 2464 O1 H2O 0 152 6.468 16.081 22.824 0.00 0.00 -ATOM 2465 H1 H2O 0 152 6.043 15.962 21.927 0.00 0.00 -ATOM 2466 H2 H2O 0 152 6.903 15.225 23.103 0.00 0.00 -ATOM 2467 O1 H2O 1 153 27.899 9.602 20.587 0.00 0.00 -ATOM 2468 H1 H2O 1 153 27.043 9.230 20.228 0.00 0.00 -ATOM 2469 H2 H2O 1 153 27.815 9.741 21.574 0.00 0.00 -ATOM 2470 O1 H2O 2 154 28.301 4.463 23.350 0.00 0.00 -ATOM 2471 H1 H2O 2 154 27.793 5.289 23.594 0.00 0.00 -ATOM 2472 H2 H2O 2 154 29.282 4.655 23.376 0.00 0.00 -ATOM 2473 O1 H2O 3 155 5.771 11.360 23.819 0.00 0.00 -ATOM 2474 H1 H2O 3 155 6.405 10.605 23.984 0.00 0.00 -ATOM 2475 H2 H2O 3 155 4.902 11.173 24.277 0.00 0.00 -ATOM 2476 O1 H2O 4 156 3.570 5.524 22.139 0.00 0.00 -ATOM 2477 H1 H2O 4 156 4.149 6.337 22.206 0.00 0.00 -ATOM 2478 H2 H2O 4 156 3.754 5.055 21.275 0.00 0.00 -ATOM 2479 O1 H2O 5 157 8.330 18.143 23.243 0.00 0.00 -ATOM 2480 H1 H2O 5 157 7.878 19.034 23.209 0.00 0.00 -ATOM 2481 H2 H2O 5 157 7.640 17.421 23.298 0.00 0.00 -ATOM 2482 O1 H2O 6 158 11.737 26.066 20.064 0.00 0.00 -ATOM 2483 H1 H2O 6 158 11.227 25.207 20.097 0.00 0.00 -ATOM 2484 H2 H2O 6 158 12.707 25.872 19.921 0.00 0.00 -ATOM 2485 O1 H2O 7 159 22.447 8.298 19.974 0.00 0.00 -ATOM 2486 H1 H2O 7 159 22.500 7.311 19.819 0.00 0.00 -ATOM 2487 H2 H2O 7 159 22.167 8.473 20.918 0.00 0.00 -ATOM 2488 O1 H2O 8 160 23.126 17.190 23.730 0.00 0.00 -ATOM 2489 H1 H2O 8 160 23.497 17.474 24.614 0.00 0.00 -ATOM 2490 H2 H2O 8 160 22.223 17.600 23.601 0.00 0.00 -ATOM 2491 O1 H2O 9 161 2.710 3.583 23.742 0.00 0.00 -ATOM 2492 H1 H2O 9 161 2.790 4.150 22.922 0.00 0.00 -ATOM 2493 H2 H2O 9 161 2.162 4.063 24.427 0.00 0.00 -ATOM 2494 O1 H2O 0 162 2.166 26.329 20.080 0.00 0.00 -ATOM 2495 H1 H2O 0 162 1.600 25.511 19.982 0.00 0.00 -ATOM 2496 H2 H2O 0 162 1.717 26.971 20.702 0.00 0.00 -ATOM 2497 O1 H2O 1 163 9.311 22.077 22.214 0.00 0.00 -ATOM 2498 H1 H2O 1 163 8.746 21.616 21.529 0.00 0.00 -ATOM 2499 H2 H2O 1 163 9.188 23.066 22.136 0.00 0.00 -ATOM 2500 O1 H2O 2 164 26.918 23.840 23.582 0.00 0.00 -ATOM 2501 H1 H2O 2 164 26.261 24.590 23.654 0.00 0.00 -ATOM 2502 H2 H2O 2 164 26.466 23.036 23.195 0.00 0.00 -ATOM 2503 O1 H2O 3 165 7.525 26.733 21.921 0.00 0.00 -ATOM 2504 H1 H2O 3 165 7.382 27.504 21.301 0.00 0.00 -ATOM 2505 H2 H2O 3 165 6.706 26.597 22.478 0.00 0.00 -ATOM 2506 O1 H2O 4 166 10.905 19.562 20.323 0.00 0.00 -ATOM 2507 H1 H2O 4 166 11.453 20.333 20.651 0.00 0.00 -ATOM 2508 H2 H2O 4 166 10.094 19.907 19.851 0.00 0.00 -ATOM 2509 O1 H2O 5 167 21.674 25.328 20.529 0.00 0.00 -ATOM 2510 H1 H2O 5 167 22.345 25.389 19.790 0.00 0.00 -ATOM 2511 H2 H2O 5 167 20.853 25.841 20.279 0.00 0.00 -ATOM 2512 O1 H2O 6 168 14.531 18.966 20.804 0.00 0.00 -ATOM 2513 H1 H2O 6 168 14.340 17.985 20.827 0.00 0.00 -ATOM 2514 H2 H2O 6 168 14.440 19.346 21.725 0.00 0.00 -ATOM 2515 O1 H2O 7 169 29.248 23.241 22.718 0.00 0.00 -ATOM 2516 H1 H2O 7 169 29.340 22.246 22.766 0.00 0.00 -ATOM 2517 H2 H2O 7 169 28.377 23.515 23.124 0.00 0.00 -ATOM 2518 O1 H2O 8 170 2.874 23.348 19.568 0.00 0.00 -ATOM 2519 H1 H2O 8 170 1.929 23.415 19.888 0.00 0.00 -ATOM 2520 H2 H2O 8 170 3.021 23.999 18.822 0.00 0.00 -ATOM 2521 O1 H2O 9 171 11.643 15.409 20.874 0.00 0.00 -ATOM 2522 H1 H2O 9 171 10.653 15.297 20.789 0.00 0.00 -ATOM 2523 H2 H2O 9 171 11.900 15.388 21.840 0.00 0.00 -ATOM 2524 O1 H2O 0 172 19.523 0.890 19.800 0.00 0.00 -ATOM 2525 H1 H2O 0 172 18.859 0.167 19.607 0.00 0.00 -ATOM 2526 H2 H2O 0 172 19.454 1.158 20.761 0.00 0.00 -ATOM 2527 O1 H2O 1 173 24.808 25.231 20.523 0.00 0.00 -ATOM 2528 H1 H2O 1 173 25.155 25.417 21.442 0.00 0.00 -ATOM 2529 H2 H2O 1 173 24.568 26.093 20.076 0.00 0.00 -ATOM 2530 O1 H2O 2 174 24.044 24.668 23.418 0.00 0.00 -ATOM 2531 H1 H2O 2 174 23.531 25.476 23.128 0.00 0.00 -ATOM 2532 H2 H2O 2 174 23.413 23.907 23.565 0.00 0.00 -ATOM 2533 O1 H2O 3 175 17.855 8.413 23.716 0.00 0.00 -ATOM 2534 H1 H2O 3 175 18.489 9.178 23.600 0.00 0.00 -ATOM 2535 H2 H2O 3 175 17.772 8.193 24.688 0.00 0.00 -ATOM 2536 O1 H2O 4 176 17.193 3.070 19.940 0.00 0.00 -ATOM 2537 H1 H2O 4 176 16.472 3.009 19.249 0.00 0.00 -ATOM 2538 H2 H2O 4 176 18.029 2.651 19.587 0.00 0.00 -ATOM 2539 O1 H2O 5 177 3.320 12.895 20.179 0.00 0.00 -ATOM 2540 H1 H2O 5 177 2.513 12.427 20.539 0.00 0.00 -ATOM 2541 H2 H2O 5 177 3.159 13.882 20.176 0.00 0.00 -ATOM 2542 O1 H2O 6 178 10.677 4.993 21.130 0.00 0.00 -ATOM 2543 H1 H2O 6 178 11.439 4.364 21.280 0.00 0.00 -ATOM 2544 H2 H2O 6 178 9.930 4.768 21.755 0.00 0.00 -ATOM 2545 O1 H2O 7 179 26.631 26.323 22.268 0.00 0.00 -ATOM 2546 H1 H2O 7 179 26.288 27.088 22.813 0.00 0.00 -ATOM 2547 H2 H2O 7 179 27.497 26.002 22.652 0.00 0.00 -ATOM 2548 O1 H2O 8 180 15.320 26.599 23.437 0.00 0.00 -ATOM 2549 H1 H2O 8 180 14.340 26.717 23.273 0.00 0.00 -ATOM 2550 H2 H2O 8 180 15.540 25.624 23.455 0.00 0.00 -ATOM 2551 O1 H2O 9 181 19.213 1.145 22.647 0.00 0.00 -ATOM 2552 H1 H2O 9 181 18.904 0.220 22.867 0.00 0.00 -ATOM 2553 H2 H2O 9 181 20.172 1.247 22.911 0.00 0.00 -ATOM 2554 O1 H2O 0 182 1.548 1.457 22.546 0.00 0.00 -ATOM 2555 H1 H2O 0 182 2.112 2.172 22.960 0.00 0.00 -ATOM 2556 H2 H2O 0 182 0.776 1.252 23.147 0.00 0.00 -ATOM 2557 O1 H2O 1 183 5.084 5.711 19.645 0.00 0.00 -ATOM 2558 H1 H2O 1 183 4.605 4.850 19.474 0.00 0.00 -ATOM 2559 H2 H2O 1 183 6.026 5.519 19.923 0.00 0.00 -ATOM 2560 O1 H2O 2 184 21.040 27.972 22.512 0.00 0.00 -ATOM 2561 H1 H2O 2 184 20.202 28.097 23.043 0.00 0.00 -ATOM 2562 H2 H2O 2 184 20.837 28.073 21.539 0.00 0.00 -ATOM 2563 O1 H2O 3 185 5.768 3.958 23.240 0.00 0.00 -ATOM 2564 H1 H2O 3 185 5.250 3.114 23.377 0.00 0.00 -ATOM 2565 H2 H2O 3 185 5.141 4.736 23.227 0.00 0.00 -ATOM 2566 O1 H2O 4 186 7.442 13.581 23.485 0.00 0.00 -ATOM 2567 H1 H2O 4 186 6.950 12.725 23.643 0.00 0.00 -ATOM 2568 H2 H2O 4 186 8.332 13.383 23.074 0.00 0.00 -ATOM 2569 O1 H2O 5 187 22.349 0.279 19.702 0.00 0.00 -ATOM 2570 H1 H2O 5 187 21.472 0.755 19.638 0.00 0.00 -ATOM 2571 H2 H2O 5 187 23.091 0.918 19.500 0.00 0.00 -ATOM 2572 O1 H2O 6 188 10.009 28.093 20.667 0.00 0.00 -ATOM 2573 H1 H2O 6 188 9.379 28.296 19.918 0.00 0.00 -ATOM 2574 H2 H2O 6 188 10.525 27.263 20.455 0.00 0.00 -ATOM 2575 O1 H2O 7 189 22.963 14.487 23.499 0.00 0.00 -ATOM 2576 H1 H2O 7 189 23.155 15.468 23.524 0.00 0.00 -ATOM 2577 H2 H2O 7 189 23.799 13.979 23.709 0.00 0.00 -ATOM 2578 O1 H2O 8 190 5.612 26.452 23.689 0.00 0.00 -ATOM 2579 H1 H2O 8 190 5.534 26.376 24.683 0.00 0.00 -ATOM 2580 H2 H2O 8 190 4.906 25.891 23.256 0.00 0.00 -ATOM 2581 O1 H2O 9 191 16.421 10.384 22.395 0.00 0.00 -ATOM 2582 H1 H2O 9 191 16.869 11.216 22.723 0.00 0.00 -ATOM 2583 H2 H2O 9 191 16.849 9.586 22.819 0.00 0.00 -ATOM 2584 O1 H2O 0 192 11.675 0.490 20.284 0.00 0.00 -ATOM 2585 H1 H2O 0 192 11.115 1.270 20.002 0.00 0.00 -ATOM 2586 H2 H2O 0 192 11.084 -0.294 20.472 0.00 0.00 -ATOM 2587 O1 H2O 1 193 25.519 21.613 22.244 0.00 0.00 -ATOM 2588 H1 H2O 1 193 26.380 21.533 21.741 0.00 0.00 -ATOM 2589 H2 H2O 1 193 24.821 22.011 21.650 0.00 0.00 -ATOM 2590 O1 H2O 2 194 14.259 8.569 20.133 0.00 0.00 -ATOM 2591 H1 H2O 2 194 14.206 9.534 19.876 0.00 0.00 -ATOM 2592 H2 H2O 2 194 15.189 8.234 19.982 0.00 0.00 -ATOM 2593 O1 H2O 3 195 6.998 20.491 23.621 0.00 0.00 -ATOM 2594 H1 H2O 3 195 7.175 20.455 24.604 0.00 0.00 -ATOM 2595 H2 H2O 3 195 6.128 20.040 23.422 0.00 0.00 -ATOM 2596 O1 H2O 4 196 21.585 4.209 22.871 0.00 0.00 -ATOM 2597 H1 H2O 4 196 21.756 4.176 21.887 0.00 0.00 -ATOM 2598 H2 H2O 4 196 21.567 3.279 23.238 0.00 0.00 -ATOM 2599 O1 H2O 5 197 26.961 13.341 20.659 0.00 0.00 -ATOM 2600 H1 H2O 5 197 26.890 14.287 20.343 0.00 0.00 -ATOM 2601 H2 H2O 5 197 27.725 12.891 20.197 0.00 0.00 -ATOM 2602 O1 H2O 6 198 19.634 15.956 20.326 0.00 0.00 -ATOM 2603 H1 H2O 6 198 19.472 16.866 19.945 0.00 0.00 -ATOM 2604 H2 H2O 6 198 18.840 15.375 20.150 0.00 0.00 -ATOM 2605 O1 H2O 7 199 26.120 28.451 23.712 0.00 0.00 -ATOM 2606 H1 H2O 7 199 25.976 28.839 24.622 0.00 0.00 -ATOM 2607 H2 H2O 7 199 26.944 28.848 23.307 0.00 0.00 -ATOM 2608 O1 H2O 8 200 7.656 0.670 23.721 0.00 0.00 -ATOM 2609 H1 H2O 8 200 8.231 1.323 24.215 0.00 0.00 -ATOM 2610 H2 H2O 8 200 7.926 -0.262 23.963 0.00 0.00 -ATOM 2611 O1 H2O 9 201 11.279 23.306 19.804 0.00 0.00 -ATOM 2612 H1 H2O 9 201 11.051 23.215 18.834 0.00 0.00 -ATOM 2613 H2 H2O 9 201 11.901 22.570 20.070 0.00 0.00 -ATOM 2614 O1 H2O 0 202 17.146 19.534 19.948 0.00 0.00 -ATOM 2615 H1 H2O 0 202 16.948 20.027 19.101 0.00 0.00 -ATOM 2616 H2 H2O 0 202 16.298 19.158 20.321 0.00 0.00 -ATOM 2617 O1 H2O 1 203 15.293 16.416 19.857 0.00 0.00 -ATOM 2618 H1 H2O 1 203 14.725 15.603 19.734 0.00 0.00 -ATOM 2619 H2 H2O 1 203 15.854 16.557 19.041 0.00 0.00 -ATOM 2620 O1 H2O 2 204 11.701 10.545 20.737 0.00 0.00 -ATOM 2621 H1 H2O 2 204 11.594 9.573 20.525 0.00 0.00 -ATOM 2622 H2 H2O 2 204 12.663 10.801 20.647 0.00 0.00 -ATOM 2623 O1 h2o 1 205 29.107 11.767 19.581 0.00 0.00 -ATOM 2624 H1 h2o 1 205 28.759 10.845 19.748 0.00 0.00 -ATOM 2625 H2 h2o 1 205 29.530 11.805 18.675 0.00 0.00 -ATOM 2626 O1 h2o 2 206 2.110 10.436 19.761 0.00 0.00 -ATOM 2627 H1 h2o 2 206 2.221 9.520 20.146 0.00 0.00 -ATOM 2628 H2 h2o 2 206 1.186 10.767 19.950 0.00 0.00 -ATOM 2629 O1 h2o 3 207 6.347 25.394 19.896 0.00 0.00 -ATOM 2630 H1 h2o 3 207 6.118 26.294 19.524 0.00 0.00 -ATOM 2631 H2 h2o 3 207 6.418 25.453 20.892 0.00 0.00 -ATOM 2632 O1 h2o 4 208 0.828 28.905 24.062 0.00 0.00 -ATOM 2633 H1 h2o 4 208 -0.147 28.697 24.150 0.00 0.00 -ATOM 2634 H2 h2o 4 208 1.240 28.959 24.972 0.00 0.00 -ATOM 2635 O1 h2o 5 209 15.812 5.966 20.599 0.00 0.00 -ATOM 2636 H1 h2o 5 209 16.168 5.665 21.484 0.00 0.00 -ATOM 2637 H2 h2o 5 209 15.088 6.640 20.742 0.00 0.00 -END -REMARK GOMC 10 9000000 -CRYST1 29.472 29.777 26.750 90.00 90.00 90.00 P 1 1 -ATOM 1 C1 TOP 1 1 15.350 15.597 10.050 0.00 1.00 -ATOM 2 C2 TOP 1 1 15.350 15.597 13.400 0.00 1.00 -ATOM 3 C3 TOP 1 1 15.350 15.597 16.750 0.00 1.00 -ATOM 4 C4 TOP 1 1 14.122 17.724 10.050 0.00 1.00 -ATOM 5 C5 TOP 1 1 14.122 17.724 13.400 0.00 1.00 -ATOM 6 C6 TOP 1 1 14.122 17.724 16.750 0.00 1.00 -ATOM 7 C7 TOP 1 1 12.894 19.851 10.050 0.00 1.00 -ATOM 8 C8 TOP 1 1 12.894 19.851 13.400 0.00 1.00 -ATOM 9 C9 TOP 1 1 12.894 19.851 16.750 0.00 1.00 -ATOM 10 CA TOP 1 1 11.666 21.978 10.050 0.00 1.00 -ATOM 11 CB TOP 1 1 11.666 21.978 13.400 0.00 1.00 -ATOM 12 CC TOP 1 1 11.666 21.978 16.750 0.00 1.00 -ATOM 13 CD TOP 1 1 10.438 24.105 10.050 0.00 1.00 -ATOM 14 CE TOP 1 1 10.438 24.105 13.400 0.00 1.00 -ATOM 15 CF TOP 1 1 10.438 24.105 16.750 0.00 1.00 -ATOM 16 CG TOP 1 1 9.210 26.232 10.050 0.00 1.00 -ATOM 17 CH TOP 1 1 9.210 26.232 13.400 0.00 1.00 -ATOM 18 CI TOP 1 1 9.210 26.232 16.750 0.00 1.00 -ATOM 19 CJ TOP 1 1 7.982 28.359 10.050 0.00 1.00 -ATOM 20 CK TOP 1 1 7.982 28.359 13.400 0.00 1.00 -ATOM 21 CL TOP 1 1 7.982 28.359 16.750 0.00 1.00 -ATOM 22 CM TOP 1 1 6.754 0.709 10.050 0.00 1.00 -ATOM 23 CN TOP 1 1 6.754 0.709 13.400 0.00 1.00 -ATOM 24 CO TOP 1 1 6.754 0.709 16.750 0.00 1.00 -ATOM 25 CP TOP 1 1 5.526 2.836 10.050 0.00 1.00 -ATOM 26 CQ TOP 1 1 5.526 2.836 13.400 0.00 1.00 -ATOM 27 CR TOP 1 1 5.526 2.836 16.750 0.00 1.00 -ATOM 28 CS TOP 1 1 4.298 4.963 10.050 0.00 1.00 -ATOM 29 CT TOP 1 1 4.298 4.963 13.400 0.00 1.00 -ATOM 30 CU TOP 1 1 4.298 4.963 16.750 0.00 1.00 -ATOM 31 CV TOP 1 1 3.070 7.090 10.050 0.00 1.00 -ATOM 32 CW TOP 1 1 3.070 7.090 13.400 0.00 1.00 -ATOM 33 CX TOP 1 1 3.070 7.090 16.750 0.00 1.00 -ATOM 34 CY TOP 1 1 1.842 9.217 10.050 0.00 1.00 -ATOM 35 CZ TOP 1 1 1.842 9.217 13.400 0.00 1.00 -ATOM 36 Ca TOP 1 1 1.842 9.217 16.750 0.00 1.00 -ATOM 37 Cb TOP 1 1 0.614 11.344 10.050 0.00 1.00 -ATOM 38 Cc TOP 1 1 0.614 11.344 13.400 0.00 1.00 -ATOM 39 Cd TOP 1 1 0.614 11.344 16.750 0.00 1.00 -ATOM 40 Ce TOP 1 1 28.858 13.471 10.050 0.00 1.00 -ATOM 41 Cf TOP 1 1 28.858 13.471 13.400 0.00 1.00 -ATOM 42 Cg TOP 1 1 28.858 13.471 16.750 0.00 1.00 -ATOM 43 Ch TOP 1 1 17.806 15.597 10.050 0.00 1.00 -ATOM 44 Ci TOP 1 1 17.806 15.597 13.400 0.00 1.00 -ATOM 45 Cj TOP 1 1 17.806 15.597 16.750 0.00 1.00 -ATOM 46 Ck TOP 1 1 16.578 17.724 10.050 0.00 1.00 -ATOM 47 Cl TOP 1 1 16.578 17.724 13.400 0.00 1.00 -ATOM 48 Cm TOP 1 1 16.578 17.724 16.750 0.00 1.00 -ATOM 49 Cn TOP 1 1 15.350 19.851 10.050 0.00 1.00 -ATOM 50 Co TOP 1 1 15.350 19.851 13.400 0.00 1.00 -ATOM 51 Cp TOP 1 1 15.350 19.851 16.750 0.00 1.00 -ATOM 52 Cq TOP 1 1 14.122 21.978 10.050 0.00 1.00 -ATOM 53 Cr TOP 1 1 14.122 21.978 13.400 0.00 1.00 -ATOM 54 Cs TOP 1 1 14.122 21.978 16.750 0.00 1.00 -ATOM 55 Ct TOP 1 1 12.894 24.105 10.050 0.00 1.00 -ATOM 56 Cu TOP 1 1 12.894 24.105 13.400 0.00 1.00 -ATOM 57 Cv TOP 1 1 12.894 24.105 16.750 0.00 1.00 -ATOM 58 Cw TOP 1 1 11.666 26.232 10.050 0.00 1.00 -ATOM 59 Cx TOP 1 1 11.666 26.232 13.400 0.00 1.00 -ATOM 60 Cy TOP 1 1 11.666 26.232 16.750 0.00 1.00 -ATOM 61 Cz TOP 1 1 10.438 28.359 10.050 0.00 1.00 -ATOM 62 C10 TOP 1 1 10.438 28.359 13.400 0.00 1.00 -ATOM 63 C11 TOP 1 1 10.438 28.359 16.750 0.00 1.00 -ATOM 64 C12 TOP 1 1 9.210 0.709 10.050 0.00 1.00 -ATOM 65 C13 TOP 1 1 9.210 0.709 13.400 0.00 1.00 -ATOM 66 C14 TOP 1 1 9.210 0.709 16.750 0.00 1.00 -ATOM 67 C15 TOP 1 1 7.982 2.836 10.050 0.00 1.00 -ATOM 68 C16 TOP 1 1 7.982 2.836 13.400 0.00 1.00 -ATOM 69 C17 TOP 1 1 7.982 2.836 16.750 0.00 1.00 -ATOM 70 C18 TOP 1 1 6.754 4.963 10.050 0.00 1.00 -ATOM 71 C19 TOP 1 1 6.754 4.963 13.400 0.00 1.00 -ATOM 72 C1A TOP 1 1 6.754 4.963 16.750 0.00 1.00 -ATOM 73 C1B TOP 1 1 5.526 7.090 10.050 0.00 1.00 -ATOM 74 C1C TOP 1 1 5.526 7.090 13.400 0.00 1.00 -ATOM 75 C1D TOP 1 1 5.526 7.090 16.750 0.00 1.00 -ATOM 76 C1E TOP 1 1 4.298 9.217 10.050 0.00 1.00 -ATOM 77 C1F TOP 1 1 4.298 9.217 13.400 0.00 1.00 -ATOM 78 C1G TOP 1 1 4.298 9.217 16.750 0.00 1.00 -ATOM 79 C1H TOP 1 1 3.070 11.344 10.050 0.00 1.00 -ATOM 80 C1I TOP 1 1 3.070 11.344 13.400 0.00 1.00 -ATOM 81 C1J TOP 1 1 3.070 11.344 16.750 0.00 1.00 -ATOM 82 C1K TOP 1 1 1.842 13.471 10.050 0.00 1.00 -ATOM 83 C1L TOP 1 1 1.842 13.471 13.400 0.00 1.00 -ATOM 84 C1M TOP 1 1 1.842 13.471 16.750 0.00 1.00 -ATOM 85 C1N TOP 1 1 20.262 15.597 10.050 0.00 1.00 -ATOM 86 C1O TOP 1 1 20.262 15.597 13.400 0.00 1.00 -ATOM 87 C1P TOP 1 1 20.262 15.597 16.750 0.00 1.00 -ATOM 88 C1Q TOP 1 1 19.034 17.724 10.050 0.00 1.00 -ATOM 89 C1R TOP 1 1 19.034 17.724 13.400 0.00 1.00 -ATOM 90 C1S TOP 1 1 19.034 17.724 16.750 0.00 1.00 -ATOM 91 C1T TOP 1 1 17.806 19.851 10.050 0.00 1.00 -ATOM 92 C1U TOP 1 1 17.806 19.851 13.400 0.00 1.00 -ATOM 93 C1V TOP 1 1 17.806 19.851 16.750 0.00 1.00 -ATOM 94 C1W TOP 1 1 16.578 21.978 10.050 0.00 1.00 -ATOM 95 C1X TOP 1 1 16.578 21.978 13.400 0.00 1.00 -ATOM 96 C1Y TOP 1 1 16.578 21.978 16.750 0.00 1.00 -ATOM 97 C1Z TOP 1 1 15.350 24.105 10.050 0.00 1.00 -ATOM 98 C1a TOP 1 1 15.350 24.105 13.400 0.00 1.00 -ATOM 99 C1b TOP 1 1 15.350 24.105 16.750 0.00 1.00 -ATOM 100 C1c TOP 1 1 14.122 26.232 10.050 0.00 1.00 -ATOM 101 C1d TOP 1 1 14.122 26.232 13.400 0.00 1.00 -ATOM 102 C1e TOP 1 1 14.122 26.232 16.750 0.00 1.00 -ATOM 103 C1f TOP 1 1 12.894 28.359 10.050 0.00 1.00 -ATOM 104 C1g TOP 1 1 12.894 28.359 13.400 0.00 1.00 -ATOM 105 C1h TOP 1 1 12.894 28.359 16.750 0.00 1.00 -ATOM 106 C1i TOP 1 1 11.666 0.709 10.050 0.00 1.00 -ATOM 107 C1j TOP 1 1 11.666 0.709 13.400 0.00 1.00 -ATOM 108 C1k TOP 1 1 11.666 0.709 16.750 0.00 1.00 -ATOM 109 C1l TOP 1 1 10.438 2.836 10.050 0.00 1.00 -ATOM 110 C1m TOP 1 1 10.438 2.836 13.400 0.00 1.00 -ATOM 111 C1n TOP 1 1 10.438 2.836 16.750 0.00 1.00 -ATOM 112 C1o TOP 1 1 9.210 4.963 10.050 0.00 1.00 -ATOM 113 C1p TOP 1 1 9.210 4.963 13.400 0.00 1.00 -ATOM 114 C1q TOP 1 1 9.210 4.963 16.750 0.00 1.00 -ATOM 115 C1r TOP 1 1 7.982 7.090 10.050 0.00 1.00 -ATOM 116 C1s TOP 1 1 7.982 7.090 13.400 0.00 1.00 -ATOM 117 C1t TOP 1 1 7.982 7.090 16.750 0.00 1.00 -ATOM 118 C1u TOP 1 1 6.754 9.217 10.050 0.00 1.00 -ATOM 119 C1v TOP 1 1 6.754 9.217 13.400 0.00 1.00 -ATOM 120 C1w TOP 1 1 6.754 9.217 16.750 0.00 1.00 -ATOM 121 C1x TOP 1 1 5.526 11.344 10.050 0.00 1.00 -ATOM 122 C1y TOP 1 1 5.526 11.344 13.400 0.00 1.00 -ATOM 123 C1z TOP 1 1 5.526 11.344 16.750 0.00 1.00 -ATOM 124 C20 TOP 1 1 4.298 13.471 10.050 0.00 1.00 -ATOM 125 C21 TOP 1 1 4.298 13.471 13.400 0.00 1.00 -ATOM 126 C22 TOP 1 1 4.298 13.471 16.750 0.00 1.00 -ATOM 127 C23 TOP 1 1 22.718 15.597 10.050 0.00 1.00 -ATOM 128 C24 TOP 1 1 22.718 15.597 13.400 0.00 1.00 -ATOM 129 C25 TOP 1 1 22.718 15.597 16.750 0.00 1.00 -ATOM 130 C26 TOP 1 1 21.490 17.724 10.050 0.00 1.00 -ATOM 131 C27 TOP 1 1 21.490 17.724 13.400 0.00 1.00 -ATOM 132 C28 TOP 1 1 21.490 17.724 16.750 0.00 1.00 -ATOM 133 C29 TOP 1 1 20.262 19.851 10.050 0.00 1.00 -ATOM 134 C2A TOP 1 1 20.262 19.851 13.400 0.00 1.00 -ATOM 135 C2B TOP 1 1 20.262 19.851 16.750 0.00 1.00 -ATOM 136 C2C TOP 1 1 19.034 21.978 10.050 0.00 1.00 -ATOM 137 C2D TOP 1 1 19.034 21.978 13.400 0.00 1.00 -ATOM 138 C2E TOP 1 1 19.034 21.978 16.750 0.00 1.00 -ATOM 139 C2F TOP 1 1 17.806 24.105 10.050 0.00 1.00 -ATOM 140 C2G TOP 1 1 17.806 24.105 13.400 0.00 1.00 -ATOM 141 C2H TOP 1 1 17.806 24.105 16.750 0.00 1.00 -ATOM 142 C2I TOP 1 1 16.578 26.232 10.050 0.00 1.00 -ATOM 143 C2J TOP 1 1 16.578 26.232 13.400 0.00 1.00 -ATOM 144 C2K TOP 1 1 16.578 26.232 16.750 0.00 1.00 -ATOM 145 C2L TOP 1 1 15.350 28.359 10.050 0.00 1.00 -ATOM 146 C2M TOP 1 1 15.350 28.359 13.400 0.00 1.00 -ATOM 147 C2N TOP 1 1 15.350 28.359 16.750 0.00 1.00 -ATOM 148 C2O TOP 1 1 14.122 0.709 10.050 0.00 1.00 -ATOM 149 C2P TOP 1 1 14.122 0.709 13.400 0.00 1.00 -ATOM 150 C2Q TOP 1 1 14.122 0.709 16.750 0.00 1.00 -ATOM 151 C2R TOP 1 1 12.894 2.836 10.050 0.00 1.00 -ATOM 152 C2S TOP 1 1 12.894 2.836 13.400 0.00 1.00 -ATOM 153 C2T TOP 1 1 12.894 2.836 16.750 0.00 1.00 -ATOM 154 C2U TOP 1 1 11.666 4.963 10.050 0.00 1.00 -ATOM 155 C2V TOP 1 1 11.666 4.963 13.400 0.00 1.00 -ATOM 156 C2W TOP 1 1 11.666 4.963 16.750 0.00 1.00 -ATOM 157 C2X TOP 1 1 10.438 7.090 10.050 0.00 1.00 -ATOM 158 C2Y TOP 1 1 10.438 7.090 13.400 0.00 1.00 -ATOM 159 C2Z TOP 1 1 10.438 7.090 16.750 0.00 1.00 -ATOM 160 C2a TOP 1 1 9.210 9.217 10.050 0.00 1.00 -ATOM 161 C2b TOP 1 1 9.210 9.217 13.400 0.00 1.00 -ATOM 162 C2c TOP 1 1 9.210 9.217 16.750 0.00 1.00 -ATOM 163 C2d TOP 1 1 7.982 11.344 10.050 0.00 1.00 -ATOM 164 C2e TOP 1 1 7.982 11.344 13.400 0.00 1.00 -ATOM 165 C2f TOP 1 1 7.982 11.344 16.750 0.00 1.00 -ATOM 166 C2g TOP 1 1 6.754 13.471 10.050 0.00 1.00 -ATOM 167 C2h TOP 1 1 6.754 13.471 13.400 0.00 1.00 -ATOM 168 C2i TOP 1 1 6.754 13.471 16.750 0.00 1.00 -ATOM 169 C2j TOP 1 1 25.174 15.597 10.050 0.00 1.00 -ATOM 170 C2k TOP 1 1 25.174 15.597 13.400 0.00 1.00 -ATOM 171 C2l TOP 1 1 25.174 15.597 16.750 0.00 1.00 -ATOM 172 C2m TOP 1 1 23.946 17.724 10.050 0.00 1.00 -ATOM 173 C2n TOP 1 1 23.946 17.724 13.400 0.00 1.00 -ATOM 174 C2o TOP 1 1 23.946 17.724 16.750 0.00 1.00 -ATOM 175 C2p TOP 1 1 22.718 19.851 10.050 0.00 1.00 -ATOM 176 C2q TOP 1 1 22.718 19.851 13.400 0.00 1.00 -ATOM 177 C2r TOP 1 1 22.718 19.851 16.750 0.00 1.00 -ATOM 178 C2s TOP 1 1 21.490 21.978 10.050 0.00 1.00 -ATOM 179 C2t TOP 1 1 21.490 21.978 13.400 0.00 1.00 -ATOM 180 C2u TOP 1 1 21.490 21.978 16.750 0.00 1.00 -ATOM 181 C2v TOP 1 1 20.262 24.105 10.050 0.00 1.00 -ATOM 182 C2w TOP 1 1 20.262 24.105 13.400 0.00 1.00 -ATOM 183 C2x TOP 1 1 20.262 24.105 16.750 0.00 1.00 -ATOM 184 C2y TOP 1 1 19.034 26.232 10.050 0.00 1.00 -ATOM 185 C2z TOP 1 1 19.034 26.232 13.400 0.00 1.00 -ATOM 186 C30 TOP 1 1 19.034 26.232 16.750 0.00 1.00 -ATOM 187 C31 TOP 1 1 17.806 28.359 10.050 0.00 1.00 -ATOM 188 C32 TOP 1 1 17.806 28.359 13.400 0.00 1.00 -ATOM 189 C33 TOP 1 1 17.806 28.359 16.750 0.00 1.00 -ATOM 190 C34 TOP 1 1 16.578 0.709 10.050 0.00 1.00 -ATOM 191 C35 TOP 1 1 16.578 0.709 13.400 0.00 1.00 -ATOM 192 C36 TOP 1 1 16.578 0.709 16.750 0.00 1.00 -ATOM 193 C37 TOP 1 1 15.350 2.836 10.050 0.00 1.00 -ATOM 194 C38 TOP 1 1 15.350 2.836 13.400 0.00 1.00 -ATOM 195 C39 TOP 1 1 15.350 2.836 16.750 0.00 1.00 -ATOM 196 C3A TOP 1 1 14.122 4.963 10.050 0.00 1.00 -ATOM 197 C3B TOP 1 1 14.122 4.963 13.400 0.00 1.00 -ATOM 198 C3C TOP 1 1 14.122 4.963 16.750 0.00 1.00 -ATOM 199 C3D TOP 1 1 12.894 7.090 10.050 0.00 1.00 -ATOM 200 C3E TOP 1 1 12.894 7.090 13.400 0.00 1.00 -ATOM 201 C3F TOP 1 1 12.894 7.090 16.750 0.00 1.00 -ATOM 202 C3G TOP 1 1 11.666 9.217 10.050 0.00 1.00 -ATOM 203 C3H TOP 1 1 11.666 9.217 13.400 0.00 1.00 -ATOM 204 C3I TOP 1 1 11.666 9.217 16.750 0.00 1.00 -ATOM 205 C3J TOP 1 1 10.438 11.344 10.050 0.00 1.00 -ATOM 206 C3K TOP 1 1 10.438 11.344 13.400 0.00 1.00 -ATOM 207 C3L TOP 1 1 10.438 11.344 16.750 0.00 1.00 -ATOM 208 C3M TOP 1 1 9.210 13.471 10.050 0.00 1.00 -ATOM 209 C3N TOP 1 1 9.210 13.471 13.400 0.00 1.00 -ATOM 210 C3O TOP 1 1 9.210 13.471 16.750 0.00 1.00 -ATOM 211 C3P TOP 1 1 27.630 15.597 10.050 0.00 1.00 -ATOM 212 C3Q TOP 1 1 27.630 15.597 13.400 0.00 1.00 -ATOM 213 C3R TOP 1 1 27.630 15.597 16.750 0.00 1.00 -ATOM 214 C3S TOP 1 1 26.402 17.724 10.050 0.00 1.00 -ATOM 215 C3T TOP 1 1 26.402 17.724 13.400 0.00 1.00 -ATOM 216 C3U TOP 1 1 26.402 17.724 16.750 0.00 1.00 -ATOM 217 C3V TOP 1 1 25.174 19.851 10.050 0.00 1.00 -ATOM 218 C3W TOP 1 1 25.174 19.851 13.400 0.00 1.00 -ATOM 219 C3X TOP 1 1 25.174 19.851 16.750 0.00 1.00 -ATOM 220 C3Y TOP 1 1 23.946 21.978 10.050 0.00 1.00 -ATOM 221 C3Z TOP 1 1 23.946 21.978 13.400 0.00 1.00 -ATOM 222 C3a TOP 1 1 23.946 21.978 16.750 0.00 1.00 -ATOM 223 C3b TOP 1 1 22.718 24.105 10.050 0.00 1.00 -ATOM 224 C3c TOP 1 1 22.718 24.105 13.400 0.00 1.00 -ATOM 225 C3d TOP 1 1 22.718 24.105 16.750 0.00 1.00 -ATOM 226 C3e TOP 1 1 21.490 26.232 10.050 0.00 1.00 -ATOM 227 C3f TOP 1 1 21.490 26.232 13.400 0.00 1.00 -ATOM 228 C3g TOP 1 1 21.490 26.232 16.750 0.00 1.00 -ATOM 229 C3h TOP 1 1 20.262 28.359 10.050 0.00 1.00 -ATOM 230 C3i TOP 1 1 20.262 28.359 13.400 0.00 1.00 -ATOM 231 C3j TOP 1 1 20.262 28.359 16.750 0.00 1.00 -ATOM 232 C3k TOP 1 1 19.034 0.709 10.050 0.00 1.00 -ATOM 233 C3l TOP 1 1 19.034 0.709 13.400 0.00 1.00 -ATOM 234 C3m TOP 1 1 19.034 0.709 16.750 0.00 1.00 -ATOM 235 C3n TOP 1 1 17.806 2.836 10.050 0.00 1.00 -ATOM 236 C3o TOP 1 1 17.806 2.836 13.400 0.00 1.00 -ATOM 237 C3p TOP 1 1 17.806 2.836 16.750 0.00 1.00 -ATOM 238 C3q TOP 1 1 16.578 4.963 10.050 0.00 1.00 -ATOM 239 C3r TOP 1 1 16.578 4.963 13.400 0.00 1.00 -ATOM 240 C3s TOP 1 1 16.578 4.963 16.750 0.00 1.00 -ATOM 241 C3t TOP 1 1 15.350 7.090 10.050 0.00 1.00 -ATOM 242 C3u TOP 1 1 15.350 7.090 13.400 0.00 1.00 -ATOM 243 C3v TOP 1 1 15.350 7.090 16.750 0.00 1.00 -ATOM 244 C3w TOP 1 1 14.122 9.217 10.050 0.00 1.00 -ATOM 245 C3x TOP 1 1 14.122 9.217 13.400 0.00 1.00 -ATOM 246 C3y TOP 1 1 14.122 9.217 16.750 0.00 1.00 -ATOM 247 C3z TOP 1 1 12.894 11.344 10.050 0.00 1.00 -ATOM 248 C40 TOP 1 1 12.894 11.344 13.400 0.00 1.00 -ATOM 249 C41 TOP 1 1 12.894 11.344 16.750 0.00 1.00 -ATOM 250 C42 TOP 1 1 11.666 13.471 10.050 0.00 1.00 -ATOM 251 C43 TOP 1 1 11.666 13.471 13.400 0.00 1.00 -ATOM 252 C44 TOP 1 1 11.666 13.471 16.750 0.00 1.00 -ATOM 253 C45 TOP 1 1 0.614 15.597 10.050 0.00 1.00 -ATOM 254 C46 TOP 1 1 0.614 15.597 13.400 0.00 1.00 -ATOM 255 C47 TOP 1 1 0.614 15.597 16.750 0.00 1.00 -ATOM 256 C48 TOP 1 1 28.858 17.724 10.050 0.00 1.00 -ATOM 257 C49 TOP 1 1 28.858 17.724 13.400 0.00 1.00 -ATOM 258 C4A TOP 1 1 28.858 17.724 16.750 0.00 1.00 -ATOM 259 C4B TOP 1 1 27.630 19.851 10.050 0.00 1.00 -ATOM 260 C4C TOP 1 1 27.630 19.851 13.400 0.00 1.00 -ATOM 261 C4D TOP 1 1 27.630 19.851 16.750 0.00 1.00 -ATOM 262 C4E TOP 1 1 26.402 21.978 10.050 0.00 1.00 -ATOM 263 C4F TOP 1 1 26.402 21.978 13.400 0.00 1.00 -ATOM 264 C4G TOP 1 1 26.402 21.978 16.750 0.00 1.00 -ATOM 265 C4H TOP 1 1 25.174 24.105 10.050 0.00 1.00 -ATOM 266 C4I TOP 1 1 25.174 24.105 13.400 0.00 1.00 -ATOM 267 C4J TOP 1 1 25.174 24.105 16.750 0.00 1.00 -ATOM 268 C4K TOP 1 1 23.946 26.232 10.050 0.00 1.00 -ATOM 269 C4L TOP 1 1 23.946 26.232 13.400 0.00 1.00 -ATOM 270 C4M TOP 1 1 23.946 26.232 16.750 0.00 1.00 -ATOM 271 C4N TOP 1 1 22.718 28.359 10.050 0.00 1.00 -ATOM 272 C4O TOP 1 1 22.718 28.359 13.400 0.00 1.00 -ATOM 273 C4P TOP 1 1 22.718 28.359 16.750 0.00 1.00 -ATOM 274 C4Q TOP 1 1 21.490 0.709 10.050 0.00 1.00 -ATOM 275 C4R TOP 1 1 21.490 0.709 13.400 0.00 1.00 -ATOM 276 C4S TOP 1 1 21.490 0.709 16.750 0.00 1.00 -ATOM 277 C4T TOP 1 1 20.262 2.836 10.050 0.00 1.00 -ATOM 278 C4U TOP 1 1 20.262 2.836 13.400 0.00 1.00 -ATOM 279 C4V TOP 1 1 20.262 2.836 16.750 0.00 1.00 -ATOM 280 C4W TOP 1 1 19.034 4.963 10.050 0.00 1.00 -ATOM 281 C4X TOP 1 1 19.034 4.963 13.400 0.00 1.00 -ATOM 282 C4Y TOP 1 1 19.034 4.963 16.750 0.00 1.00 -ATOM 283 C4Z TOP 1 1 17.806 7.090 10.050 0.00 1.00 -ATOM 284 C4a TOP 1 1 17.806 7.090 13.400 0.00 1.00 -ATOM 285 C4b TOP 1 1 17.806 7.090 16.750 0.00 1.00 -ATOM 286 C4c TOP 1 1 16.578 9.217 10.050 0.00 1.00 -ATOM 287 C4d TOP 1 1 16.578 9.217 13.400 0.00 1.00 -ATOM 288 C4e TOP 1 1 16.578 9.217 16.750 0.00 1.00 -ATOM 289 C4f TOP 1 1 15.350 11.344 10.050 0.00 1.00 -ATOM 290 C4g TOP 1 1 15.350 11.344 13.400 0.00 1.00 -ATOM 291 C4h TOP 1 1 15.350 11.344 16.750 0.00 1.00 -ATOM 292 C4i TOP 1 1 14.122 13.471 10.050 0.00 1.00 -ATOM 293 C4j TOP 1 1 14.122 13.471 13.400 0.00 1.00 -ATOM 294 C4k TOP 1 1 14.122 13.471 16.750 0.00 1.00 -ATOM 295 C4l TOP 1 1 3.070 15.597 10.050 0.00 1.00 -ATOM 296 C4m TOP 1 1 3.070 15.597 13.400 0.00 1.00 -ATOM 297 C4n TOP 1 1 3.070 15.597 16.750 0.00 1.00 -ATOM 298 C4o TOP 1 1 1.842 17.724 10.050 0.00 1.00 -ATOM 299 C4p TOP 1 1 1.842 17.724 13.400 0.00 1.00 -ATOM 300 C4q TOP 1 1 1.842 17.724 16.750 0.00 1.00 -ATOM 301 C4r TOP 1 1 0.614 19.851 10.050 0.00 1.00 -ATOM 302 C4s TOP 1 1 0.614 19.851 13.400 0.00 1.00 -ATOM 303 C4t TOP 1 1 0.614 19.851 16.750 0.00 1.00 -ATOM 304 C4u TOP 1 1 28.858 21.978 10.050 0.00 1.00 -ATOM 305 C4v TOP 1 1 28.858 21.978 13.400 0.00 1.00 -ATOM 306 C4w TOP 1 1 28.858 21.978 16.750 0.00 1.00 -ATOM 307 C4x TOP 1 1 27.630 24.105 10.050 0.00 1.00 -ATOM 308 C4y TOP 1 1 27.630 24.105 13.400 0.00 1.00 -ATOM 309 C4z TOP 1 1 27.630 24.105 16.750 0.00 1.00 -ATOM 310 C50 TOP 1 1 26.402 26.232 10.050 0.00 1.00 -ATOM 311 C51 TOP 1 1 26.402 26.232 13.400 0.00 1.00 -ATOM 312 C52 TOP 1 1 26.402 26.232 16.750 0.00 1.00 -ATOM 313 C53 TOP 1 1 25.174 28.359 10.050 0.00 1.00 -ATOM 314 C54 TOP 1 1 25.174 28.359 13.400 0.00 1.00 -ATOM 315 C55 TOP 1 1 25.174 28.359 16.750 0.00 1.00 -ATOM 316 C56 TOP 1 1 23.946 0.709 10.050 0.00 1.00 -ATOM 317 C57 TOP 1 1 23.946 0.709 13.400 0.00 1.00 -ATOM 318 C58 TOP 1 1 23.946 0.709 16.750 0.00 1.00 -ATOM 319 C59 TOP 1 1 22.718 2.836 10.050 0.00 1.00 -ATOM 320 C5A TOP 1 1 22.718 2.836 13.400 0.00 1.00 -ATOM 321 C5B TOP 1 1 22.718 2.836 16.750 0.00 1.00 -ATOM 322 C5C TOP 1 1 21.490 4.963 10.050 0.00 1.00 -ATOM 323 C5D TOP 1 1 21.490 4.963 13.400 0.00 1.00 -ATOM 324 C5E TOP 1 1 21.490 4.963 16.750 0.00 1.00 -ATOM 325 C5F TOP 1 1 20.262 7.090 10.050 0.00 1.00 -ATOM 326 C5G TOP 1 1 20.262 7.090 13.400 0.00 1.00 -ATOM 327 C5H TOP 1 1 20.262 7.090 16.750 0.00 1.00 -ATOM 328 C5I TOP 1 1 19.034 9.217 10.050 0.00 1.00 -ATOM 329 C5J TOP 1 1 19.034 9.217 13.400 0.00 1.00 -ATOM 330 C5K TOP 1 1 19.034 9.217 16.750 0.00 1.00 -ATOM 331 C5L TOP 1 1 17.806 11.344 10.050 0.00 1.00 -ATOM 332 C5M TOP 1 1 17.806 11.344 13.400 0.00 1.00 -ATOM 333 C5N TOP 1 1 17.806 11.344 16.750 0.00 1.00 -ATOM 334 C5O TOP 1 1 16.578 13.471 10.050 0.00 1.00 -ATOM 335 C5P TOP 1 1 16.578 13.471 13.400 0.00 1.00 -ATOM 336 C5Q TOP 1 1 16.578 13.471 16.750 0.00 1.00 -ATOM 337 C5R TOP 1 1 5.526 15.597 10.050 0.00 1.00 -ATOM 338 C5S TOP 1 1 5.526 15.597 13.400 0.00 1.00 -ATOM 339 C5T TOP 1 1 5.526 15.597 16.750 0.00 1.00 -ATOM 340 C5U TOP 1 1 4.298 17.724 10.050 0.00 1.00 -ATOM 341 C5V TOP 1 1 4.298 17.724 13.400 0.00 1.00 -ATOM 342 C5W TOP 1 1 4.298 17.724 16.750 0.00 1.00 -ATOM 343 C5X TOP 1 1 3.070 19.851 10.050 0.00 1.00 -ATOM 344 C5Y TOP 1 1 3.070 19.851 13.400 0.00 1.00 -ATOM 345 C5Z TOP 1 1 3.070 19.851 16.750 0.00 1.00 -ATOM 346 C5a TOP 1 1 1.842 21.978 10.050 0.00 1.00 -ATOM 347 C5b TOP 1 1 1.842 21.978 13.400 0.00 1.00 -ATOM 348 C5c TOP 1 1 1.842 21.978 16.750 0.00 1.00 -ATOM 349 C5d TOP 1 1 0.614 24.105 10.050 0.00 1.00 -ATOM 350 C5e TOP 1 1 0.614 24.105 13.400 0.00 1.00 -ATOM 351 C5f TOP 1 1 0.614 24.105 16.750 0.00 1.00 -ATOM 352 C5g TOP 1 1 28.858 26.232 10.050 0.00 1.00 -ATOM 353 C5h TOP 1 1 28.858 26.232 13.400 0.00 1.00 -ATOM 354 C5i TOP 1 1 28.858 26.232 16.750 0.00 1.00 -ATOM 355 C5j TOP 1 1 27.630 28.359 10.050 0.00 1.00 -ATOM 356 C5k TOP 1 1 27.630 28.359 13.400 0.00 1.00 -ATOM 357 C5l TOP 1 1 27.630 28.359 16.750 0.00 1.00 -ATOM 358 C5m TOP 1 1 26.402 0.709 10.050 0.00 1.00 -ATOM 359 C5n TOP 1 1 26.402 0.709 13.400 0.00 1.00 -ATOM 360 C5o TOP 1 1 26.402 0.709 16.750 0.00 1.00 -ATOM 361 C5p TOP 1 1 25.174 2.836 10.050 0.00 1.00 -ATOM 362 C5q TOP 1 1 25.174 2.836 13.400 0.00 1.00 -ATOM 363 C5r TOP 1 1 25.174 2.836 16.750 0.00 1.00 -ATOM 364 C5s TOP 1 1 23.946 4.963 10.050 0.00 1.00 -ATOM 365 C5t TOP 1 1 23.946 4.963 13.400 0.00 1.00 -ATOM 366 C5u TOP 1 1 23.946 4.963 16.750 0.00 1.00 -ATOM 367 C5v TOP 1 1 22.718 7.090 10.050 0.00 1.00 -ATOM 368 C5w TOP 1 1 22.718 7.090 13.400 0.00 1.00 -ATOM 369 C5x TOP 1 1 22.718 7.090 16.750 0.00 1.00 -ATOM 370 C5y TOP 1 1 21.490 9.217 10.050 0.00 1.00 -ATOM 371 C5z TOP 1 1 21.490 9.217 13.400 0.00 1.00 -ATOM 372 C60 TOP 1 1 21.490 9.217 16.750 0.00 1.00 -ATOM 373 C61 TOP 1 1 20.262 11.344 10.050 0.00 1.00 -ATOM 374 C62 TOP 1 1 20.262 11.344 13.400 0.00 1.00 -ATOM 375 C63 TOP 1 1 20.262 11.344 16.750 0.00 1.00 -ATOM 376 C64 TOP 1 1 19.034 13.471 10.050 0.00 1.00 -ATOM 377 C65 TOP 1 1 19.034 13.471 13.400 0.00 1.00 -ATOM 378 C66 TOP 1 1 19.034 13.471 16.750 0.00 1.00 -ATOM 379 C67 TOP 1 1 7.982 15.597 10.050 0.00 1.00 -ATOM 380 C68 TOP 1 1 7.982 15.597 13.400 0.00 1.00 -ATOM 381 C69 TOP 1 1 7.982 15.597 16.750 0.00 1.00 -ATOM 382 C6A TOP 1 1 6.754 17.724 10.050 0.00 1.00 -ATOM 383 C6B TOP 1 1 6.754 17.724 13.400 0.00 1.00 -ATOM 384 C6C TOP 1 1 6.754 17.724 16.750 0.00 1.00 -ATOM 385 C6D TOP 1 1 5.526 19.851 10.050 0.00 1.00 -ATOM 386 C6E TOP 1 1 5.526 19.851 13.400 0.00 1.00 -ATOM 387 C6F TOP 1 1 5.526 19.851 16.750 0.00 1.00 -ATOM 388 C6G TOP 1 1 4.298 21.978 10.050 0.00 1.00 -ATOM 389 C6H TOP 1 1 4.298 21.978 13.400 0.00 1.00 -ATOM 390 C6I TOP 1 1 4.298 21.978 16.750 0.00 1.00 -ATOM 391 C6J TOP 1 1 3.070 24.105 10.050 0.00 1.00 -ATOM 392 C6K TOP 1 1 3.070 24.105 13.400 0.00 1.00 -ATOM 393 C6L TOP 1 1 3.070 24.105 16.750 0.00 1.00 -ATOM 394 C6M TOP 1 1 1.842 26.232 10.050 0.00 1.00 -ATOM 395 C6N TOP 1 1 1.842 26.232 13.400 0.00 1.00 -ATOM 396 C6O TOP 1 1 1.842 26.232 16.750 0.00 1.00 -ATOM 397 C6P TOP 1 1 0.614 28.359 10.050 0.00 1.00 -ATOM 398 C6Q TOP 1 1 0.614 28.359 13.400 0.00 1.00 -ATOM 399 C6R TOP 1 1 0.614 28.359 16.750 0.00 1.00 -ATOM 400 C6S TOP 1 1 28.858 0.709 10.050 0.00 1.00 -ATOM 401 C6T TOP 1 1 28.858 0.709 13.400 0.00 1.00 -ATOM 402 C6U TOP 1 1 28.858 0.709 16.750 0.00 1.00 -ATOM 403 C6V TOP 1 1 27.630 2.836 10.050 0.00 1.00 -ATOM 404 C6W TOP 1 1 27.630 2.836 13.400 0.00 1.00 -ATOM 405 C6X TOP 1 1 27.630 2.836 16.750 0.00 1.00 -ATOM 406 C6Y TOP 1 1 26.402 4.963 10.050 0.00 1.00 -ATOM 407 C6Z TOP 1 1 26.402 4.963 13.400 0.00 1.00 -ATOM 408 C6a TOP 1 1 26.402 4.963 16.750 0.00 1.00 -ATOM 409 C6b TOP 1 1 25.174 7.090 10.050 0.00 1.00 -ATOM 410 C6c TOP 1 1 25.174 7.090 13.400 0.00 1.00 -ATOM 411 C6d TOP 1 1 25.174 7.090 16.750 0.00 1.00 -ATOM 412 C6e TOP 1 1 23.946 9.217 10.050 0.00 1.00 -ATOM 413 C6f TOP 1 1 23.946 9.217 13.400 0.00 1.00 -ATOM 414 C6g TOP 1 1 23.946 9.217 16.750 0.00 1.00 -ATOM 415 C6h TOP 1 1 22.718 11.344 10.050 0.00 1.00 -ATOM 416 C6i TOP 1 1 22.718 11.344 13.400 0.00 1.00 -ATOM 417 C6j TOP 1 1 22.718 11.344 16.750 0.00 1.00 -ATOM 418 C6k TOP 1 1 21.490 13.471 10.050 0.00 1.00 -ATOM 419 C6l TOP 1 1 21.490 13.471 13.400 0.00 1.00 -ATOM 420 C6m TOP 1 1 21.490 13.471 16.750 0.00 1.00 -ATOM 421 C6n TOP 1 1 10.438 15.597 10.050 0.00 1.00 -ATOM 422 C6o TOP 1 1 10.438 15.597 13.400 0.00 1.00 -ATOM 423 C6p TOP 1 1 10.438 15.597 16.750 0.00 1.00 -ATOM 424 C6q TOP 1 1 9.210 17.724 10.050 0.00 1.00 -ATOM 425 C6r TOP 1 1 9.210 17.724 13.400 0.00 1.00 -ATOM 426 C6s TOP 1 1 9.210 17.724 16.750 0.00 1.00 -ATOM 427 C6t TOP 1 1 7.982 19.851 10.050 0.00 1.00 -ATOM 428 C6u TOP 1 1 7.982 19.851 13.400 0.00 1.00 -ATOM 429 C6v TOP 1 1 7.982 19.851 16.750 0.00 1.00 -ATOM 430 C6w TOP 1 1 6.754 21.978 10.050 0.00 1.00 -ATOM 431 C6x TOP 1 1 6.754 21.978 13.400 0.00 1.00 -ATOM 432 C6y TOP 1 1 6.754 21.978 16.750 0.00 1.00 -ATOM 433 C6z TOP 1 1 5.526 24.105 10.050 0.00 1.00 -ATOM 434 C70 TOP 1 1 5.526 24.105 13.400 0.00 1.00 -ATOM 435 C71 TOP 1 1 5.526 24.105 16.750 0.00 1.00 -ATOM 436 C72 TOP 1 1 4.298 26.232 10.050 0.00 1.00 -ATOM 437 C73 TOP 1 1 4.298 26.232 13.400 0.00 1.00 -ATOM 438 C74 TOP 1 1 4.298 26.232 16.750 0.00 1.00 -ATOM 439 C75 TOP 1 1 3.070 28.359 10.050 0.00 1.00 -ATOM 440 C76 TOP 1 1 3.070 28.359 13.400 0.00 1.00 -ATOM 441 C77 TOP 1 1 3.070 28.359 16.750 0.00 1.00 -ATOM 442 C78 TOP 1 1 1.842 0.709 10.050 0.00 1.00 -ATOM 443 C79 TOP 1 1 1.842 0.709 13.400 0.00 1.00 -ATOM 444 C7A TOP 1 1 1.842 0.709 16.750 0.00 1.00 -ATOM 445 C7B TOP 1 1 0.614 2.836 10.050 0.00 1.00 -ATOM 446 C7C TOP 1 1 0.614 2.836 13.400 0.00 1.00 -ATOM 447 C7D TOP 1 1 0.614 2.836 16.750 0.00 1.00 -ATOM 448 C7E TOP 1 1 28.858 4.963 10.050 0.00 1.00 -ATOM 449 C7F TOP 1 1 28.858 4.963 13.400 0.00 1.00 -ATOM 450 C7G TOP 1 1 28.858 4.963 16.750 0.00 1.00 -ATOM 451 C7H TOP 1 1 27.630 7.090 10.050 0.00 1.00 -ATOM 452 C7I TOP 1 1 27.630 7.090 13.400 0.00 1.00 -ATOM 453 C7J TOP 1 1 27.630 7.090 16.750 0.00 1.00 -ATOM 454 C7K TOP 1 1 26.402 9.217 10.050 0.00 1.00 -ATOM 455 C7L TOP 1 1 26.402 9.217 13.400 0.00 1.00 -ATOM 456 C7M TOP 1 1 26.402 9.217 16.750 0.00 1.00 -ATOM 457 C7N TOP 1 1 25.174 11.344 10.050 0.00 1.00 -ATOM 458 C7O TOP 1 1 25.174 11.344 13.400 0.00 1.00 -ATOM 459 C7P TOP 1 1 25.174 11.344 16.750 0.00 1.00 -ATOM 460 C7Q TOP 1 1 23.946 13.471 10.050 0.00 1.00 -ATOM 461 C7R TOP 1 1 23.946 13.471 13.400 0.00 1.00 -ATOM 462 C7S TOP 1 1 23.946 13.471 16.750 0.00 1.00 -ATOM 463 C7T TOP 1 1 12.894 15.597 10.050 0.00 1.00 -ATOM 464 C7U TOP 1 1 12.894 15.597 13.400 0.00 1.00 -ATOM 465 C7V TOP 1 1 12.894 15.597 16.750 0.00 1.00 -ATOM 466 C7W TOP 1 1 11.666 17.724 10.050 0.00 1.00 -ATOM 467 C7X TOP 1 1 11.666 17.724 13.400 0.00 1.00 -ATOM 468 C7Y TOP 1 1 11.666 17.724 16.750 0.00 1.00 -ATOM 469 C7Z TOP 1 1 10.438 19.851 10.050 0.00 1.00 -ATOM 470 C7a TOP 1 1 10.438 19.851 13.400 0.00 1.00 -ATOM 471 C7b TOP 1 1 10.438 19.851 16.750 0.00 1.00 -ATOM 472 C7c TOP 1 1 9.210 21.978 10.050 0.00 1.00 -ATOM 473 C7d TOP 1 1 9.210 21.978 13.400 0.00 1.00 -ATOM 474 C7e TOP 1 1 9.210 21.978 16.750 0.00 1.00 -ATOM 475 C7f TOP 1 1 7.982 24.105 10.050 0.00 1.00 -ATOM 476 C7g TOP 1 1 7.982 24.105 13.400 0.00 1.00 -ATOM 477 C7h TOP 1 1 7.982 24.105 16.750 0.00 1.00 -ATOM 478 C7i TOP 1 1 6.754 26.232 10.050 0.00 1.00 -ATOM 479 C7j TOP 1 1 6.754 26.232 13.400 0.00 1.00 -ATOM 480 C7k TOP 1 1 6.754 26.232 16.750 0.00 1.00 -ATOM 481 C7l TOP 1 1 5.526 28.359 10.050 0.00 1.00 -ATOM 482 C7m TOP 1 1 5.526 28.359 13.400 0.00 1.00 -ATOM 483 C7n TOP 1 1 5.526 28.359 16.750 0.00 1.00 -ATOM 484 C7o TOP 1 1 4.298 0.709 10.050 0.00 1.00 -ATOM 485 C7p TOP 1 1 4.298 0.709 13.400 0.00 1.00 -ATOM 486 C7q TOP 1 1 4.298 0.709 16.750 0.00 1.00 -ATOM 487 C7r TOP 1 1 3.070 2.836 10.050 0.00 1.00 -ATOM 488 C7s TOP 1 1 3.070 2.836 13.400 0.00 1.00 -ATOM 489 C7t TOP 1 1 3.070 2.836 16.750 0.00 1.00 -ATOM 490 C7u TOP 1 1 1.842 4.963 10.050 0.00 1.00 -ATOM 491 C7v TOP 1 1 1.842 4.963 13.400 0.00 1.00 -ATOM 492 C7w TOP 1 1 1.842 4.963 16.750 0.00 1.00 -ATOM 493 C7x TOP 1 1 0.614 7.090 10.050 0.00 1.00 -ATOM 494 C7y TOP 1 1 0.614 7.090 13.400 0.00 1.00 -ATOM 495 C7z TOP 1 1 0.614 7.090 16.750 0.00 1.00 -ATOM 496 C80 TOP 1 1 28.858 9.217 10.050 0.00 1.00 -ATOM 497 C81 TOP 1 1 28.858 9.217 13.400 0.00 1.00 -ATOM 498 C82 TOP 1 1 28.858 9.217 16.750 0.00 1.00 -ATOM 499 C83 TOP 1 1 27.630 11.344 10.050 0.00 1.00 -ATOM 500 C84 TOP 1 1 27.630 11.344 13.400 0.00 1.00 -ATOM 501 C85 TOP 1 1 27.630 11.344 16.750 0.00 1.00 -ATOM 502 C86 TOP 1 1 26.402 13.471 10.050 0.00 1.00 -ATOM 503 C87 TOP 1 1 26.402 13.471 13.400 0.00 1.00 -ATOM 504 C88 TOP 1 1 26.402 13.471 16.750 0.00 1.00 -ATOM 505 C89 TOP 1 1 16.578 16.306 10.050 0.00 1.00 -ATOM 506 C8A TOP 1 1 16.578 16.306 13.400 0.00 1.00 -ATOM 507 C8B TOP 1 1 16.578 16.306 16.750 0.00 1.00 -ATOM 508 C8C TOP 1 1 15.350 18.433 10.050 0.00 1.00 -ATOM 509 C8D TOP 1 1 15.350 18.433 13.400 0.00 1.00 -ATOM 510 C8E TOP 1 1 15.350 18.433 16.750 0.00 1.00 -ATOM 511 C8F TOP 1 1 14.122 20.560 10.050 0.00 1.00 -ATOM 512 C8G TOP 1 1 14.122 20.560 13.400 0.00 1.00 -ATOM 513 C8H TOP 1 1 14.122 20.560 16.750 0.00 1.00 -ATOM 514 C8I TOP 1 1 12.894 22.687 10.050 0.00 1.00 -ATOM 515 C8J TOP 1 1 12.894 22.687 13.400 0.00 1.00 -ATOM 516 C8K TOP 1 1 12.894 22.687 16.750 0.00 1.00 -ATOM 517 C8L TOP 1 1 11.666 24.814 10.050 0.00 1.00 -ATOM 518 C8M TOP 1 1 11.666 24.814 13.400 0.00 1.00 -ATOM 519 C8N TOP 1 1 11.666 24.814 16.750 0.00 1.00 -ATOM 520 C8O TOP 1 1 10.438 26.941 10.050 0.00 1.00 -ATOM 521 C8P TOP 1 1 10.438 26.941 13.400 0.00 1.00 -ATOM 522 C8Q TOP 1 1 10.438 26.941 16.750 0.00 1.00 -ATOM 523 C8R TOP 1 1 9.210 29.068 10.050 0.00 1.00 -ATOM 524 C8S TOP 1 1 9.210 29.068 13.400 0.00 1.00 -ATOM 525 C8T TOP 1 1 9.210 29.068 16.750 0.00 1.00 -ATOM 526 C8U TOP 1 1 7.982 1.418 10.050 0.00 1.00 -ATOM 527 C8V TOP 1 1 7.982 1.418 13.400 0.00 1.00 -ATOM 528 C8W TOP 1 1 7.982 1.418 16.750 0.00 1.00 -ATOM 529 C8X TOP 1 1 6.754 3.545 10.050 0.00 1.00 -ATOM 530 C8Y TOP 1 1 6.754 3.545 13.400 0.00 1.00 -ATOM 531 C8Z TOP 1 1 6.754 3.545 16.750 0.00 1.00 -ATOM 532 C8a TOP 1 1 5.526 5.672 10.050 0.00 1.00 -ATOM 533 C8b TOP 1 1 5.526 5.672 13.400 0.00 1.00 -ATOM 534 C8c TOP 1 1 5.526 5.672 16.750 0.00 1.00 -ATOM 535 C8d TOP 1 1 4.298 7.799 10.050 0.00 1.00 -ATOM 536 C8e TOP 1 1 4.298 7.799 13.400 0.00 1.00 -ATOM 537 C8f TOP 1 1 4.298 7.799 16.750 0.00 1.00 -ATOM 538 C8g TOP 1 1 3.070 9.926 10.050 0.00 1.00 -ATOM 539 C8h TOP 1 1 3.070 9.926 13.400 0.00 1.00 -ATOM 540 C8i TOP 1 1 3.070 9.926 16.750 0.00 1.00 -ATOM 541 C8j TOP 1 1 1.842 12.053 10.050 0.00 1.00 -ATOM 542 C8k TOP 1 1 1.842 12.053 13.400 0.00 1.00 -ATOM 543 C8l TOP 1 1 1.842 12.053 16.750 0.00 1.00 -ATOM 544 C8m TOP 1 1 0.614 14.180 10.050 0.00 1.00 -ATOM 545 C8n TOP 1 1 0.614 14.180 13.400 0.00 1.00 -ATOM 546 C8o TOP 1 1 0.614 14.180 16.750 0.00 1.00 -ATOM 547 C8p TOP 1 1 19.034 16.306 10.050 0.00 1.00 -ATOM 548 C8q TOP 1 1 19.034 16.306 13.400 0.00 1.00 -ATOM 549 C8r TOP 1 1 19.034 16.306 16.750 0.00 1.00 -ATOM 550 C8s TOP 1 1 17.806 18.433 10.050 0.00 1.00 -ATOM 551 C8t TOP 1 1 17.806 18.433 13.400 0.00 1.00 -ATOM 552 C8u TOP 1 1 17.806 18.433 16.750 0.00 1.00 -ATOM 553 C8v TOP 1 1 16.578 20.560 10.050 0.00 1.00 -ATOM 554 C8w TOP 1 1 16.578 20.560 13.400 0.00 1.00 -ATOM 555 C8x TOP 1 1 16.578 20.560 16.750 0.00 1.00 -ATOM 556 C8y TOP 1 1 15.350 22.687 10.050 0.00 1.00 -ATOM 557 C8z TOP 1 1 15.350 22.687 13.400 0.00 1.00 -ATOM 558 C90 TOP 1 1 15.350 22.687 16.750 0.00 1.00 -ATOM 559 C91 TOP 1 1 14.122 24.814 10.050 0.00 1.00 -ATOM 560 C92 TOP 1 1 14.122 24.814 13.400 0.00 1.00 -ATOM 561 C93 TOP 1 1 14.122 24.814 16.750 0.00 1.00 -ATOM 562 C94 TOP 1 1 12.894 26.941 10.050 0.00 1.00 -ATOM 563 C95 TOP 1 1 12.894 26.941 13.400 0.00 1.00 -ATOM 564 C96 TOP 1 1 12.894 26.941 16.750 0.00 1.00 -ATOM 565 C97 TOP 1 1 11.666 29.068 10.050 0.00 1.00 -ATOM 566 C98 TOP 1 1 11.666 29.068 13.400 0.00 1.00 -ATOM 567 C99 TOP 1 1 11.666 29.068 16.750 0.00 1.00 -ATOM 568 C9A TOP 1 1 10.438 1.418 10.050 0.00 1.00 -ATOM 569 C9B TOP 1 1 10.438 1.418 13.400 0.00 1.00 -ATOM 570 C9C TOP 1 1 10.438 1.418 16.750 0.00 1.00 -ATOM 571 C9D TOP 1 1 9.210 3.545 10.050 0.00 1.00 -ATOM 572 C9E TOP 1 1 9.210 3.545 13.400 0.00 1.00 -ATOM 573 C9F TOP 1 1 9.210 3.545 16.750 0.00 1.00 -ATOM 574 C9G TOP 1 1 7.982 5.672 10.050 0.00 1.00 -ATOM 575 C9H TOP 1 1 7.982 5.672 13.400 0.00 1.00 -ATOM 576 C9I TOP 1 1 7.982 5.672 16.750 0.00 1.00 -ATOM 577 C9J TOP 1 1 6.754 7.799 10.050 0.00 1.00 -ATOM 578 C9K TOP 1 1 6.754 7.799 13.400 0.00 1.00 -ATOM 579 C9L TOP 1 1 6.754 7.799 16.750 0.00 1.00 -ATOM 580 C9M TOP 1 1 5.526 9.926 10.050 0.00 1.00 -ATOM 581 C9N TOP 1 1 5.526 9.926 13.400 0.00 1.00 -ATOM 582 C9O TOP 1 1 5.526 9.926 16.750 0.00 1.00 -ATOM 583 C9P TOP 1 1 4.298 12.053 10.050 0.00 1.00 -ATOM 584 C9Q TOP 1 1 4.298 12.053 13.400 0.00 1.00 -ATOM 585 C9R TOP 1 1 4.298 12.053 16.750 0.00 1.00 -ATOM 586 C9S TOP 1 1 3.070 14.180 10.050 0.00 1.00 -ATOM 587 C9T TOP 1 1 3.070 14.180 13.400 0.00 1.00 -ATOM 588 C9U TOP 1 1 3.070 14.180 16.750 0.00 1.00 -ATOM 589 C9V TOP 1 1 21.490 16.306 10.050 0.00 1.00 -ATOM 590 C9W TOP 1 1 21.490 16.306 13.400 0.00 1.00 -ATOM 591 C9X TOP 1 1 21.490 16.306 16.750 0.00 1.00 -ATOM 592 C9Y TOP 1 1 20.262 18.433 10.050 0.00 1.00 -ATOM 593 C9Z TOP 1 1 20.262 18.433 13.400 0.00 1.00 -ATOM 594 C9a TOP 1 1 20.262 18.433 16.750 0.00 1.00 -ATOM 595 C9b TOP 1 1 19.034 20.560 10.050 0.00 1.00 -ATOM 596 C9c TOP 1 1 19.034 20.560 13.400 0.00 1.00 -ATOM 597 C9d TOP 1 1 19.034 20.560 16.750 0.00 1.00 -ATOM 598 C9e TOP 1 1 17.806 22.687 10.050 0.00 1.00 -ATOM 599 C9f TOP 1 1 17.806 22.687 13.400 0.00 1.00 -ATOM 600 C9g TOP 1 1 17.806 22.687 16.750 0.00 1.00 -ATOM 601 C9h TOP 1 1 16.578 24.814 10.050 0.00 1.00 -ATOM 602 C9i TOP 1 1 16.578 24.814 13.400 0.00 1.00 -ATOM 603 C9j TOP 1 1 16.578 24.814 16.750 0.00 1.00 -ATOM 604 C9k TOP 1 1 15.350 26.941 10.050 0.00 1.00 -ATOM 605 C9l TOP 1 1 15.350 26.941 13.400 0.00 1.00 -ATOM 606 C9m TOP 1 1 15.350 26.941 16.750 0.00 1.00 -ATOM 607 C9n TOP 1 1 14.122 29.068 10.050 0.00 1.00 -ATOM 608 C9o TOP 1 1 14.122 29.068 13.400 0.00 1.00 -ATOM 609 C9p TOP 1 1 14.122 29.068 16.750 0.00 1.00 -ATOM 610 C9q TOP 1 1 12.894 1.418 10.050 0.00 1.00 -ATOM 611 C9r TOP 1 1 12.894 1.418 13.400 0.00 1.00 -ATOM 612 C9s TOP 1 1 12.894 1.418 16.750 0.00 1.00 -ATOM 613 C9t TOP 1 1 11.666 3.545 10.050 0.00 1.00 -ATOM 614 C9u TOP 1 1 11.666 3.545 13.400 0.00 1.00 -ATOM 615 C9v TOP 1 1 11.666 3.545 16.750 0.00 1.00 -ATOM 616 C9w TOP 1 1 10.438 5.672 10.050 0.00 1.00 -ATOM 617 C9x TOP 1 1 10.438 5.672 13.400 0.00 1.00 -ATOM 618 C9y TOP 1 1 10.438 5.672 16.750 0.00 1.00 -ATOM 619 C9z TOP 1 1 9.210 7.799 10.050 0.00 1.00 -ATOM 620 CA0 TOP 1 1 9.210 7.799 13.400 0.00 1.00 -ATOM 621 CA1 TOP 1 1 9.210 7.799 16.750 0.00 1.00 -ATOM 622 CA2 TOP 1 1 7.982 9.926 10.050 0.00 1.00 -ATOM 623 CA3 TOP 1 1 7.982 9.926 13.400 0.00 1.00 -ATOM 624 CA4 TOP 1 1 7.982 9.926 16.750 0.00 1.00 -ATOM 625 CA5 TOP 1 1 6.754 12.053 10.050 0.00 1.00 -ATOM 626 CA6 TOP 1 1 6.754 12.053 13.400 0.00 1.00 -ATOM 627 CA7 TOP 1 1 6.754 12.053 16.750 0.00 1.00 -ATOM 628 CA8 TOP 1 1 5.526 14.180 10.050 0.00 1.00 -ATOM 629 CA9 TOP 1 1 5.526 14.180 13.400 0.00 1.00 -ATOM 630 CAA TOP 1 1 5.526 14.180 16.750 0.00 1.00 -ATOM 631 CAB TOP 1 1 23.946 16.306 10.050 0.00 1.00 -ATOM 632 CAC TOP 1 1 23.946 16.306 13.400 0.00 1.00 -ATOM 633 CAD TOP 1 1 23.946 16.306 16.750 0.00 1.00 -ATOM 634 CAE TOP 1 1 22.718 18.433 10.050 0.00 1.00 -ATOM 635 CAF TOP 1 1 22.718 18.433 13.400 0.00 1.00 -ATOM 636 CAG TOP 1 1 22.718 18.433 16.750 0.00 1.00 -ATOM 637 CAH TOP 1 1 21.490 20.560 10.050 0.00 1.00 -ATOM 638 CAI TOP 1 1 21.490 20.560 13.400 0.00 1.00 -ATOM 639 CAJ TOP 1 1 21.490 20.560 16.750 0.00 1.00 -ATOM 640 CAK TOP 1 1 20.262 22.687 10.050 0.00 1.00 -ATOM 641 CAL TOP 1 1 20.262 22.687 13.400 0.00 1.00 -ATOM 642 CAM TOP 1 1 20.262 22.687 16.750 0.00 1.00 -ATOM 643 CAN TOP 1 1 19.034 24.814 10.050 0.00 1.00 -ATOM 644 CAO TOP 1 1 19.034 24.814 13.400 0.00 1.00 -ATOM 645 CAP TOP 1 1 19.034 24.814 16.750 0.00 1.00 -ATOM 646 CAQ TOP 1 1 17.806 26.941 10.050 0.00 1.00 -ATOM 647 CAR TOP 1 1 17.806 26.941 13.400 0.00 1.00 -ATOM 648 CAS TOP 1 1 17.806 26.941 16.750 0.00 1.00 -ATOM 649 CAT TOP 1 1 16.578 29.068 10.050 0.00 1.00 -ATOM 650 CAU TOP 1 1 16.578 29.068 13.400 0.00 1.00 -ATOM 651 CAV TOP 1 1 16.578 29.068 16.750 0.00 1.00 -ATOM 652 CAW TOP 1 1 15.350 1.418 10.050 0.00 1.00 -ATOM 653 CAX TOP 1 1 15.350 1.418 13.400 0.00 1.00 -ATOM 654 CAY TOP 1 1 15.350 1.418 16.750 0.00 1.00 -ATOM 655 CAZ TOP 1 1 14.122 3.545 10.050 0.00 1.00 -ATOM 656 CAa TOP 1 1 14.122 3.545 13.400 0.00 1.00 -ATOM 657 CAb TOP 1 1 14.122 3.545 16.750 0.00 1.00 -ATOM 658 CAc TOP 1 1 12.894 5.672 10.050 0.00 1.00 -ATOM 659 CAd TOP 1 1 12.894 5.672 13.400 0.00 1.00 -ATOM 660 CAe TOP 1 1 12.894 5.672 16.750 0.00 1.00 -ATOM 661 CAf TOP 1 1 11.666 7.799 10.050 0.00 1.00 -ATOM 662 CAg TOP 1 1 11.666 7.799 13.400 0.00 1.00 -ATOM 663 CAh TOP 1 1 11.666 7.799 16.750 0.00 1.00 -ATOM 664 CAi TOP 1 1 10.438 9.926 10.050 0.00 1.00 -ATOM 665 CAj TOP 1 1 10.438 9.926 13.400 0.00 1.00 -ATOM 666 CAk TOP 1 1 10.438 9.926 16.750 0.00 1.00 -ATOM 667 CAl TOP 1 1 9.210 12.053 10.050 0.00 1.00 -ATOM 668 CAm TOP 1 1 9.210 12.053 13.400 0.00 1.00 -ATOM 669 CAn TOP 1 1 9.210 12.053 16.750 0.00 1.00 -ATOM 670 CAo TOP 1 1 7.982 14.180 10.050 0.00 1.00 -ATOM 671 CAp TOP 1 1 7.982 14.180 13.400 0.00 1.00 -ATOM 672 CAq TOP 1 1 7.982 14.180 16.750 0.00 1.00 -ATOM 673 CAr TOP 1 1 26.402 16.306 10.050 0.00 1.00 -ATOM 674 CAs TOP 1 1 26.402 16.306 13.400 0.00 1.00 -ATOM 675 CAt TOP 1 1 26.402 16.306 16.750 0.00 1.00 -ATOM 676 CAu TOP 1 1 25.174 18.433 10.050 0.00 1.00 -ATOM 677 CAv TOP 1 1 25.174 18.433 13.400 0.00 1.00 -ATOM 678 CAw TOP 1 1 25.174 18.433 16.750 0.00 1.00 -ATOM 679 CAx TOP 1 1 23.946 20.560 10.050 0.00 1.00 -ATOM 680 CAy TOP 1 1 23.946 20.560 13.400 0.00 1.00 -ATOM 681 CAz TOP 1 1 23.946 20.560 16.750 0.00 1.00 -ATOM 682 CB0 TOP 1 1 22.718 22.687 10.050 0.00 1.00 -ATOM 683 CB1 TOP 1 1 22.718 22.687 13.400 0.00 1.00 -ATOM 684 CB2 TOP 1 1 22.718 22.687 16.750 0.00 1.00 -ATOM 685 CB3 TOP 1 1 21.490 24.814 10.050 0.00 1.00 -ATOM 686 CB4 TOP 1 1 21.490 24.814 13.400 0.00 1.00 -ATOM 687 CB5 TOP 1 1 21.490 24.814 16.750 0.00 1.00 -ATOM 688 CB6 TOP 1 1 20.262 26.941 10.050 0.00 1.00 -ATOM 689 CB7 TOP 1 1 20.262 26.941 13.400 0.00 1.00 -ATOM 690 CB8 TOP 1 1 20.262 26.941 16.750 0.00 1.00 -ATOM 691 CB9 TOP 1 1 19.034 29.068 10.050 0.00 1.00 -ATOM 692 CBA TOP 1 1 19.034 29.068 13.400 0.00 1.00 -ATOM 693 CBB TOP 1 1 19.034 29.068 16.750 0.00 1.00 -ATOM 694 CBC TOP 1 1 17.806 1.418 10.050 0.00 1.00 -ATOM 695 CBD TOP 1 1 17.806 1.418 13.400 0.00 1.00 -ATOM 696 CBE TOP 1 1 17.806 1.418 16.750 0.00 1.00 -ATOM 697 CBF TOP 1 1 16.578 3.545 10.050 0.00 1.00 -ATOM 698 CBG TOP 1 1 16.578 3.545 13.400 0.00 1.00 -ATOM 699 CBH TOP 1 1 16.578 3.545 16.750 0.00 1.00 -ATOM 700 CBI TOP 1 1 15.350 5.672 10.050 0.00 1.00 -ATOM 701 CBJ TOP 1 1 15.350 5.672 13.400 0.00 1.00 -ATOM 702 CBK TOP 1 1 15.350 5.672 16.750 0.00 1.00 -ATOM 703 CBL TOP 1 1 14.122 7.799 10.050 0.00 1.00 -ATOM 704 CBM TOP 1 1 14.122 7.799 13.400 0.00 1.00 -ATOM 705 CBN TOP 1 1 14.122 7.799 16.750 0.00 1.00 -ATOM 706 CBO TOP 1 1 12.894 9.926 10.050 0.00 1.00 -ATOM 707 CBP TOP 1 1 12.894 9.926 13.400 0.00 1.00 -ATOM 708 CBQ TOP 1 1 12.894 9.926 16.750 0.00 1.00 -ATOM 709 CBR TOP 1 1 11.666 12.053 10.050 0.00 1.00 -ATOM 710 CBS TOP 1 1 11.666 12.053 13.400 0.00 1.00 -ATOM 711 CBT TOP 1 1 11.666 12.053 16.750 0.00 1.00 -ATOM 712 CBU TOP 1 1 10.438 14.180 10.050 0.00 1.00 -ATOM 713 CBV TOP 1 1 10.438 14.180 13.400 0.00 1.00 -ATOM 714 CBW TOP 1 1 10.438 14.180 16.750 0.00 1.00 -ATOM 715 CBX TOP 1 1 28.858 16.306 10.050 0.00 1.00 -ATOM 716 CBY TOP 1 1 28.858 16.306 13.400 0.00 1.00 -ATOM 717 CBZ TOP 1 1 28.858 16.306 16.750 0.00 1.00 -ATOM 718 CBa TOP 1 1 27.630 18.433 10.050 0.00 1.00 -ATOM 719 CBb TOP 1 1 27.630 18.433 13.400 0.00 1.00 -ATOM 720 CBc TOP 1 1 27.630 18.433 16.750 0.00 1.00 -ATOM 721 CBd TOP 1 1 26.402 20.560 10.050 0.00 1.00 -ATOM 722 CBe TOP 1 1 26.402 20.560 13.400 0.00 1.00 -ATOM 723 CBf TOP 1 1 26.402 20.560 16.750 0.00 1.00 -ATOM 724 CBg TOP 1 1 25.174 22.687 10.050 0.00 1.00 -ATOM 725 CBh TOP 1 1 25.174 22.687 13.400 0.00 1.00 -ATOM 726 CBi TOP 1 1 25.174 22.687 16.750 0.00 1.00 -ATOM 727 CBj TOP 1 1 23.946 24.814 10.050 0.00 1.00 -ATOM 728 CBk TOP 1 1 23.946 24.814 13.400 0.00 1.00 -ATOM 729 CBl TOP 1 1 23.946 24.814 16.750 0.00 1.00 -ATOM 730 CBm TOP 1 1 22.718 26.941 10.050 0.00 1.00 -ATOM 731 CBn TOP 1 1 22.718 26.941 13.400 0.00 1.00 -ATOM 732 CBo TOP 1 1 22.718 26.941 16.750 0.00 1.00 -ATOM 733 CBp TOP 1 1 21.490 29.068 10.050 0.00 1.00 -ATOM 734 CBq TOP 1 1 21.490 29.068 13.400 0.00 1.00 -ATOM 735 CBr TOP 1 1 21.490 29.068 16.750 0.00 1.00 -ATOM 736 CBs TOP 1 1 20.262 1.418 10.050 0.00 1.00 -ATOM 737 CBt TOP 1 1 20.262 1.418 13.400 0.00 1.00 -ATOM 738 CBu TOP 1 1 20.262 1.418 16.750 0.00 1.00 -ATOM 739 CBv TOP 1 1 19.034 3.545 10.050 0.00 1.00 -ATOM 740 CBw TOP 1 1 19.034 3.545 13.400 0.00 1.00 -ATOM 741 CBx TOP 1 1 19.034 3.545 16.750 0.00 1.00 -ATOM 742 CBy TOP 1 1 17.806 5.672 10.050 0.00 1.00 -ATOM 743 CBz TOP 1 1 17.806 5.672 13.400 0.00 1.00 -ATOM 744 CC0 TOP 1 1 17.806 5.672 16.750 0.00 1.00 -ATOM 745 CC1 TOP 1 1 16.578 7.799 10.050 0.00 1.00 -ATOM 746 CC2 TOP 1 1 16.578 7.799 13.400 0.00 1.00 -ATOM 747 CC3 TOP 1 1 16.578 7.799 16.750 0.00 1.00 -ATOM 748 CC4 TOP 1 1 15.350 9.926 10.050 0.00 1.00 -ATOM 749 CC5 TOP 1 1 15.350 9.926 13.400 0.00 1.00 -ATOM 750 CC6 TOP 1 1 15.350 9.926 16.750 0.00 1.00 -ATOM 751 CC7 TOP 1 1 14.122 12.053 10.050 0.00 1.00 -ATOM 752 CC8 TOP 1 1 14.122 12.053 13.400 0.00 1.00 -ATOM 753 CC9 TOP 1 1 14.122 12.053 16.750 0.00 1.00 -ATOM 754 CCA TOP 1 1 12.894 14.180 10.050 0.00 1.00 -ATOM 755 CCB TOP 1 1 12.894 14.180 13.400 0.00 1.00 -ATOM 756 CCC TOP 1 1 12.894 14.180 16.750 0.00 1.00 -ATOM 757 CCD TOP 1 1 1.842 16.306 10.050 0.00 1.00 -ATOM 758 CCE TOP 1 1 1.842 16.306 13.400 0.00 1.00 -ATOM 759 CCF TOP 1 1 1.842 16.306 16.750 0.00 1.00 -ATOM 760 CCG TOP 1 1 0.614 18.433 10.050 0.00 1.00 -ATOM 761 CCH TOP 1 1 0.614 18.433 13.400 0.00 1.00 -ATOM 762 CCI TOP 1 1 0.614 18.433 16.750 0.00 1.00 -ATOM 763 CCJ TOP 1 1 28.858 20.560 10.050 0.00 1.00 -ATOM 764 CCK TOP 1 1 28.858 20.560 13.400 0.00 1.00 -ATOM 765 CCL TOP 1 1 28.858 20.560 16.750 0.00 1.00 -ATOM 766 CCM TOP 1 1 27.630 22.687 10.050 0.00 1.00 -ATOM 767 CCN TOP 1 1 27.630 22.687 13.400 0.00 1.00 -ATOM 768 CCO TOP 1 1 27.630 22.687 16.750 0.00 1.00 -ATOM 769 CCP TOP 1 1 26.402 24.814 10.050 0.00 1.00 -ATOM 770 CCQ TOP 1 1 26.402 24.814 13.400 0.00 1.00 -ATOM 771 CCR TOP 1 1 26.402 24.814 16.750 0.00 1.00 -ATOM 772 CCS TOP 1 1 25.174 26.941 10.050 0.00 1.00 -ATOM 773 CCT TOP 1 1 25.174 26.941 13.400 0.00 1.00 -ATOM 774 CCU TOP 1 1 25.174 26.941 16.750 0.00 1.00 -ATOM 775 CCV TOP 1 1 23.946 29.068 10.050 0.00 1.00 -ATOM 776 CCW TOP 1 1 23.946 29.068 13.400 0.00 1.00 -ATOM 777 CCX TOP 1 1 23.946 29.068 16.750 0.00 1.00 -ATOM 778 CCY TOP 1 1 22.718 1.418 10.050 0.00 1.00 -ATOM 779 CCZ TOP 1 1 22.718 1.418 13.400 0.00 1.00 -ATOM 780 CCa TOP 1 1 22.718 1.418 16.750 0.00 1.00 -ATOM 781 CCb TOP 1 1 21.490 3.545 10.050 0.00 1.00 -ATOM 782 CCc TOP 1 1 21.490 3.545 13.400 0.00 1.00 -ATOM 783 CCd TOP 1 1 21.490 3.545 16.750 0.00 1.00 -ATOM 784 CCe TOP 1 1 20.262 5.672 10.050 0.00 1.00 -ATOM 785 CCf TOP 1 1 20.262 5.672 13.400 0.00 1.00 -ATOM 786 CCg TOP 1 1 20.262 5.672 16.750 0.00 1.00 -ATOM 787 CCh TOP 1 1 19.034 7.799 10.050 0.00 1.00 -ATOM 788 CCi TOP 1 1 19.034 7.799 13.400 0.00 1.00 -ATOM 789 CCj TOP 1 1 19.034 7.799 16.750 0.00 1.00 -ATOM 790 CCk TOP 1 1 17.806 9.926 10.050 0.00 1.00 -ATOM 791 CCl TOP 1 1 17.806 9.926 13.400 0.00 1.00 -ATOM 792 CCm TOP 1 1 17.806 9.926 16.750 0.00 1.00 -ATOM 793 CCn TOP 1 1 16.578 12.053 10.050 0.00 1.00 -ATOM 794 CCo TOP 1 1 16.578 12.053 13.400 0.00 1.00 -ATOM 795 CCp TOP 1 1 16.578 12.053 16.750 0.00 1.00 -ATOM 796 CCq TOP 1 1 15.350 14.180 10.050 0.00 1.00 -ATOM 797 CCr TOP 1 1 15.350 14.180 13.400 0.00 1.00 -ATOM 798 CCs TOP 1 1 15.350 14.180 16.750 0.00 1.00 -ATOM 799 CCt TOP 1 1 4.298 16.306 10.050 0.00 1.00 -ATOM 800 CCu TOP 1 1 4.298 16.306 13.400 0.00 1.00 -ATOM 801 CCv TOP 1 1 4.298 16.306 16.750 0.00 1.00 -ATOM 802 CCw TOP 1 1 3.070 18.433 10.050 0.00 1.00 -ATOM 803 CCx TOP 1 1 3.070 18.433 13.400 0.00 1.00 -ATOM 804 CCy TOP 1 1 3.070 18.433 16.750 0.00 1.00 -ATOM 805 CCz TOP 1 1 1.842 20.560 10.050 0.00 1.00 -ATOM 806 CD0 TOP 1 1 1.842 20.560 13.400 0.00 1.00 -ATOM 807 CD1 TOP 1 1 1.842 20.560 16.750 0.00 1.00 -ATOM 808 CD2 TOP 1 1 0.614 22.687 10.050 0.00 1.00 -ATOM 809 CD3 TOP 1 1 0.614 22.687 13.400 0.00 1.00 -ATOM 810 CD4 TOP 1 1 0.614 22.687 16.750 0.00 1.00 -ATOM 811 CD5 TOP 1 1 28.858 24.814 10.050 0.00 1.00 -ATOM 812 CD6 TOP 1 1 28.858 24.814 13.400 0.00 1.00 -ATOM 813 CD7 TOP 1 1 28.858 24.814 16.750 0.00 1.00 -ATOM 814 CD8 TOP 1 1 27.630 26.941 10.050 0.00 1.00 -ATOM 815 CD9 TOP 1 1 27.630 26.941 13.400 0.00 1.00 -ATOM 816 CDA TOP 1 1 27.630 26.941 16.750 0.00 1.00 -ATOM 817 CDB TOP 1 1 26.402 29.068 10.050 0.00 1.00 -ATOM 818 CDC TOP 1 1 26.402 29.068 13.400 0.00 1.00 -ATOM 819 CDD TOP 1 1 26.402 29.068 16.750 0.00 1.00 -ATOM 820 CDE TOP 1 1 25.174 1.418 10.050 0.00 1.00 -ATOM 821 CDF TOP 1 1 25.174 1.418 13.400 0.00 1.00 -ATOM 822 CDG TOP 1 1 25.174 1.418 16.750 0.00 1.00 -ATOM 823 CDH TOP 1 1 23.946 3.545 10.050 0.00 1.00 -ATOM 824 CDI TOP 1 1 23.946 3.545 13.400 0.00 1.00 -ATOM 825 CDJ TOP 1 1 23.946 3.545 16.750 0.00 1.00 -ATOM 826 CDK TOP 1 1 22.718 5.672 10.050 0.00 1.00 -ATOM 827 CDL TOP 1 1 22.718 5.672 13.400 0.00 1.00 -ATOM 828 CDM TOP 1 1 22.718 5.672 16.750 0.00 1.00 -ATOM 829 CDN TOP 1 1 21.490 7.799 10.050 0.00 1.00 -ATOM 830 CDO TOP 1 1 21.490 7.799 13.400 0.00 1.00 -ATOM 831 CDP TOP 1 1 21.490 7.799 16.750 0.00 1.00 -ATOM 832 CDQ TOP 1 1 20.262 9.926 10.050 0.00 1.00 -ATOM 833 CDR TOP 1 1 20.262 9.926 13.400 0.00 1.00 -ATOM 834 CDS TOP 1 1 20.262 9.926 16.750 0.00 1.00 -ATOM 835 CDT TOP 1 1 19.034 12.053 10.050 0.00 1.00 -ATOM 836 CDU TOP 1 1 19.034 12.053 13.400 0.00 1.00 -ATOM 837 CDV TOP 1 1 19.034 12.053 16.750 0.00 1.00 -ATOM 838 CDW TOP 1 1 17.806 14.180 10.050 0.00 1.00 -ATOM 839 CDX TOP 1 1 17.806 14.180 13.400 0.00 1.00 -ATOM 840 CDY TOP 1 1 17.806 14.180 16.750 0.00 1.00 -ATOM 841 CDZ TOP 1 1 6.754 16.306 10.050 0.00 1.00 -ATOM 842 CDa TOP 1 1 6.754 16.306 13.400 0.00 1.00 -ATOM 843 CDb TOP 1 1 6.754 16.306 16.750 0.00 1.00 -ATOM 844 CDc TOP 1 1 5.526 18.433 10.050 0.00 1.00 -ATOM 845 CDd TOP 1 1 5.526 18.433 13.400 0.00 1.00 -ATOM 846 CDe TOP 1 1 5.526 18.433 16.750 0.00 1.00 -ATOM 847 CDf TOP 1 1 4.298 20.560 10.050 0.00 1.00 -ATOM 848 CDg TOP 1 1 4.298 20.560 13.400 0.00 1.00 -ATOM 849 CDh TOP 1 1 4.298 20.560 16.750 0.00 1.00 -ATOM 850 CDi TOP 1 1 3.070 22.687 10.050 0.00 1.00 -ATOM 851 CDj TOP 1 1 3.070 22.687 13.400 0.00 1.00 -ATOM 852 CDk TOP 1 1 3.070 22.687 16.750 0.00 1.00 -ATOM 853 CDl TOP 1 1 1.842 24.814 10.050 0.00 1.00 -ATOM 854 CDm TOP 1 1 1.842 24.814 13.400 0.00 1.00 -ATOM 855 CDn TOP 1 1 1.842 24.814 16.750 0.00 1.00 -ATOM 856 CDo TOP 1 1 0.614 26.941 10.050 0.00 1.00 -ATOM 857 CDp TOP 1 1 0.614 26.941 13.400 0.00 1.00 -ATOM 858 CDq TOP 1 1 0.614 26.941 16.750 0.00 1.00 -ATOM 859 CDr TOP 1 1 28.858 29.068 10.050 0.00 1.00 -ATOM 860 CDs TOP 1 1 28.858 29.068 13.400 0.00 1.00 -ATOM 861 CDt TOP 1 1 28.858 29.068 16.750 0.00 1.00 -ATOM 862 CDu TOP 1 1 27.630 1.418 10.050 0.00 1.00 -ATOM 863 CDv TOP 1 1 27.630 1.418 13.400 0.00 1.00 -ATOM 864 CDw TOP 1 1 27.630 1.418 16.750 0.00 1.00 -ATOM 865 CDx TOP 1 1 26.402 3.545 10.050 0.00 1.00 -ATOM 866 CDy TOP 1 1 26.402 3.545 13.400 0.00 1.00 -ATOM 867 CDz TOP 1 1 26.402 3.545 16.750 0.00 1.00 -ATOM 868 CE0 TOP 1 1 25.174 5.672 10.050 0.00 1.00 -ATOM 869 CE1 TOP 1 1 25.174 5.672 13.400 0.00 1.00 -ATOM 870 CE2 TOP 1 1 25.174 5.672 16.750 0.00 1.00 -ATOM 871 CE3 TOP 1 1 23.946 7.799 10.050 0.00 1.00 -ATOM 872 CE4 TOP 1 1 23.946 7.799 13.400 0.00 1.00 -ATOM 873 CE5 TOP 1 1 23.946 7.799 16.750 0.00 1.00 -ATOM 874 CE6 TOP 1 1 22.718 9.926 10.050 0.00 1.00 -ATOM 875 CE7 TOP 1 1 22.718 9.926 13.400 0.00 1.00 -ATOM 876 CE8 TOP 1 1 22.718 9.926 16.750 0.00 1.00 -ATOM 877 CE9 TOP 1 1 21.490 12.053 10.050 0.00 1.00 -ATOM 878 CEA TOP 1 1 21.490 12.053 13.400 0.00 1.00 -ATOM 879 CEB TOP 1 1 21.490 12.053 16.750 0.00 1.00 -ATOM 880 CEC TOP 1 1 20.262 14.180 10.050 0.00 1.00 -ATOM 881 CED TOP 1 1 20.262 14.180 13.400 0.00 1.00 -ATOM 882 CEE TOP 1 1 20.262 14.180 16.750 0.00 1.00 -ATOM 883 CEF TOP 1 1 9.210 16.306 10.050 0.00 1.00 -ATOM 884 CEG TOP 1 1 9.210 16.306 13.400 0.00 1.00 -ATOM 885 CEH TOP 1 1 9.210 16.306 16.750 0.00 1.00 -ATOM 886 CEI TOP 1 1 7.982 18.433 10.050 0.00 1.00 -ATOM 887 CEJ TOP 1 1 7.982 18.433 13.400 0.00 1.00 -ATOM 888 CEK TOP 1 1 7.982 18.433 16.750 0.00 1.00 -ATOM 889 CEL TOP 1 1 6.754 20.560 10.050 0.00 1.00 -ATOM 890 CEM TOP 1 1 6.754 20.560 13.400 0.00 1.00 -ATOM 891 CEN TOP 1 1 6.754 20.560 16.750 0.00 1.00 -ATOM 892 CEO TOP 1 1 5.526 22.687 10.050 0.00 1.00 -ATOM 893 CEP TOP 1 1 5.526 22.687 13.400 0.00 1.00 -ATOM 894 CEQ TOP 1 1 5.526 22.687 16.750 0.00 1.00 -ATOM 895 CER TOP 1 1 4.298 24.814 10.050 0.00 1.00 -ATOM 896 CES TOP 1 1 4.298 24.814 13.400 0.00 1.00 -ATOM 897 CET TOP 1 1 4.298 24.814 16.750 0.00 1.00 -ATOM 898 CEU TOP 1 1 3.070 26.941 10.050 0.00 1.00 -ATOM 899 CEV TOP 1 1 3.070 26.941 13.400 0.00 1.00 -ATOM 900 CEW TOP 1 1 3.070 26.941 16.750 0.00 1.00 -ATOM 901 CEX TOP 1 1 1.842 29.068 10.050 0.00 1.00 -ATOM 902 CEY TOP 1 1 1.842 29.068 13.400 0.00 1.00 -ATOM 903 CEZ TOP 1 1 1.842 29.068 16.750 0.00 1.00 -ATOM 904 CEa TOP 1 1 0.614 1.418 10.050 0.00 1.00 -ATOM 905 CEb TOP 1 1 0.614 1.418 13.400 0.00 1.00 -ATOM 906 CEc TOP 1 1 0.614 1.418 16.750 0.00 1.00 -ATOM 907 CEd TOP 1 1 28.858 3.545 10.050 0.00 1.00 -ATOM 908 CEe TOP 1 1 28.858 3.545 13.400 0.00 1.00 -ATOM 909 CEf TOP 1 1 28.858 3.545 16.750 0.00 1.00 -ATOM 910 CEg TOP 1 1 27.630 5.672 10.050 0.00 1.00 -ATOM 911 CEh TOP 1 1 27.630 5.672 13.400 0.00 1.00 -ATOM 912 CEi TOP 1 1 27.630 5.672 16.750 0.00 1.00 -ATOM 913 CEj TOP 1 1 26.402 7.799 10.050 0.00 1.00 -ATOM 914 CEk TOP 1 1 26.402 7.799 13.400 0.00 1.00 -ATOM 915 CEl TOP 1 1 26.402 7.799 16.750 0.00 1.00 -ATOM 916 CEm TOP 1 1 25.174 9.926 10.050 0.00 1.00 -ATOM 917 CEn TOP 1 1 25.174 9.926 13.400 0.00 1.00 -ATOM 918 CEo TOP 1 1 25.174 9.926 16.750 0.00 1.00 -ATOM 919 CEp TOP 1 1 23.946 12.053 10.050 0.00 1.00 -ATOM 920 CEq TOP 1 1 23.946 12.053 13.400 0.00 1.00 -ATOM 921 CEr TOP 1 1 23.946 12.053 16.750 0.00 1.00 -ATOM 922 CEs TOP 1 1 22.718 14.180 10.050 0.00 1.00 -ATOM 923 CEt TOP 1 1 22.718 14.180 13.400 0.00 1.00 -ATOM 924 CEu TOP 1 1 22.718 14.180 16.750 0.00 1.00 -ATOM 925 CEv TOP 1 1 11.666 16.306 10.050 0.00 1.00 -ATOM 926 CEw TOP 1 1 11.666 16.306 13.400 0.00 1.00 -ATOM 927 CEx TOP 1 1 11.666 16.306 16.750 0.00 1.00 -ATOM 928 CEy TOP 1 1 10.438 18.433 10.050 0.00 1.00 -ATOM 929 CEz TOP 1 1 10.438 18.433 13.400 0.00 1.00 -ATOM 930 CF0 TOP 1 1 10.438 18.433 16.750 0.00 1.00 -ATOM 931 CF1 TOP 1 1 9.210 20.560 10.050 0.00 1.00 -ATOM 932 CF2 TOP 1 1 9.210 20.560 13.400 0.00 1.00 -ATOM 933 CF3 TOP 1 1 9.210 20.560 16.750 0.00 1.00 -ATOM 934 CF4 TOP 1 1 7.982 22.687 10.050 0.00 1.00 -ATOM 935 CF5 TOP 1 1 7.982 22.687 13.400 0.00 1.00 -ATOM 936 CF6 TOP 1 1 7.982 22.687 16.750 0.00 1.00 -ATOM 937 CF7 TOP 1 1 6.754 24.814 10.050 0.00 1.00 -ATOM 938 CF8 TOP 1 1 6.754 24.814 13.400 0.00 1.00 -ATOM 939 CF9 TOP 1 1 6.754 24.814 16.750 0.00 1.00 -ATOM 940 CFA TOP 1 1 5.526 26.941 10.050 0.00 1.00 -ATOM 941 CFB TOP 1 1 5.526 26.941 13.400 0.00 1.00 -ATOM 942 CFC TOP 1 1 5.526 26.941 16.750 0.00 1.00 -ATOM 943 CFD TOP 1 1 4.298 29.068 10.050 0.00 1.00 -ATOM 944 CFE TOP 1 1 4.298 29.068 13.400 0.00 1.00 -ATOM 945 CFF TOP 1 1 4.298 29.068 16.750 0.00 1.00 -ATOM 946 CFG TOP 1 1 3.070 1.418 10.050 0.00 1.00 -ATOM 947 CFH TOP 1 1 3.070 1.418 13.400 0.00 1.00 -ATOM 948 CFI TOP 1 1 3.070 1.418 16.750 0.00 1.00 -ATOM 949 CFJ TOP 1 1 1.842 3.545 10.050 0.00 1.00 -ATOM 950 CFK TOP 1 1 1.842 3.545 13.400 0.00 1.00 -ATOM 951 CFL TOP 1 1 1.842 3.545 16.750 0.00 1.00 -ATOM 952 CFM TOP 1 1 0.614 5.672 10.050 0.00 1.00 -ATOM 953 CFN TOP 1 1 0.614 5.672 13.400 0.00 1.00 -ATOM 954 CFO TOP 1 1 0.614 5.672 16.750 0.00 1.00 -ATOM 955 CFP TOP 1 1 28.858 7.799 10.050 0.00 1.00 -ATOM 956 CFQ TOP 1 1 28.858 7.799 13.400 0.00 1.00 -ATOM 957 CFR TOP 1 1 28.858 7.799 16.750 0.00 1.00 -ATOM 958 CFS TOP 1 1 27.630 9.926 10.050 0.00 1.00 -ATOM 959 CFT TOP 1 1 27.630 9.926 13.400 0.00 1.00 -ATOM 960 CFU TOP 1 1 27.630 9.926 16.750 0.00 1.00 -ATOM 961 CFV TOP 1 1 26.402 12.053 10.050 0.00 1.00 -ATOM 962 CFW TOP 1 1 26.402 12.053 13.400 0.00 1.00 -ATOM 963 CFX TOP 1 1 26.402 12.053 16.750 0.00 1.00 -ATOM 964 CFY TOP 1 1 25.174 14.180 10.050 0.00 1.00 -ATOM 965 CFZ TOP 1 1 25.174 14.180 13.400 0.00 1.00 -ATOM 966 CFa TOP 1 1 25.174 14.180 16.750 0.00 1.00 -ATOM 967 CFb TOP 1 1 14.122 16.306 10.050 0.00 1.00 -ATOM 968 CFc TOP 1 1 14.122 16.306 13.400 0.00 1.00 -ATOM 969 CFd TOP 1 1 14.122 16.306 16.750 0.00 1.00 -ATOM 970 CFe TOP 1 1 12.894 18.433 10.050 0.00 1.00 -ATOM 971 CFf TOP 1 1 12.894 18.433 13.400 0.00 1.00 -ATOM 972 CFg TOP 1 1 12.894 18.433 16.750 0.00 1.00 -ATOM 973 CFh TOP 1 1 11.666 20.560 10.050 0.00 1.00 -ATOM 974 CFi TOP 1 1 11.666 20.560 13.400 0.00 1.00 -ATOM 975 CFj TOP 1 1 11.666 20.560 16.750 0.00 1.00 -ATOM 976 CFk TOP 1 1 10.438 22.687 10.050 0.00 1.00 -ATOM 977 CFl TOP 1 1 10.438 22.687 13.400 0.00 1.00 -ATOM 978 CFm TOP 1 1 10.438 22.687 16.750 0.00 1.00 -ATOM 979 CFn TOP 1 1 9.210 24.814 10.050 0.00 1.00 -ATOM 980 CFo TOP 1 1 9.210 24.814 13.400 0.00 1.00 -ATOM 981 CFp TOP 1 1 9.210 24.814 16.750 0.00 1.00 -ATOM 982 CFq TOP 1 1 7.982 26.941 10.050 0.00 1.00 -ATOM 983 CFr TOP 1 1 7.982 26.941 13.400 0.00 1.00 -ATOM 984 CFs TOP 1 1 7.982 26.941 16.750 0.00 1.00 -ATOM 985 CFt TOP 1 1 6.754 29.068 10.050 0.00 1.00 -ATOM 986 CFu TOP 1 1 6.754 29.068 13.400 0.00 1.00 -ATOM 987 CFv TOP 1 1 6.754 29.068 16.750 0.00 1.00 -ATOM 988 CFw TOP 1 1 5.526 1.418 10.050 0.00 1.00 -ATOM 989 CFx TOP 1 1 5.526 1.418 13.400 0.00 1.00 -ATOM 990 CFy TOP 1 1 5.526 1.418 16.750 0.00 1.00 -ATOM 991 CFz TOP 1 1 4.298 3.545 10.050 0.00 1.00 -ATOM 992 CG0 TOP 1 1 4.298 3.545 13.400 0.00 1.00 -ATOM 993 CG1 TOP 1 1 4.298 3.545 16.750 0.00 1.00 -ATOM 994 CG2 TOP 1 1 3.070 5.672 10.050 0.00 1.00 -ATOM 995 CG3 TOP 1 1 3.070 5.672 13.400 0.00 1.00 -ATOM 996 CG4 TOP 1 1 3.070 5.672 16.750 0.00 1.00 -ATOM 997 CG5 TOP 1 1 1.842 7.799 10.050 0.00 1.00 -ATOM 998 CG6 TOP 1 1 1.842 7.799 13.400 0.00 1.00 -ATOM 999 CG7 TOP 1 1 1.842 7.799 16.750 0.00 1.00 -ATOM 1000 CG8 TOP 1 1 0.614 9.926 10.050 0.00 1.00 -ATOM 1001 CG9 TOP 1 1 0.614 9.926 13.400 0.00 1.00 -ATOM 1002 CGA TOP 1 1 0.614 9.926 16.750 0.00 1.00 -ATOM 1003 CGB TOP 1 1 28.858 12.053 10.050 0.00 1.00 -ATOM 1004 CGC TOP 1 1 28.858 12.053 13.400 0.00 1.00 -ATOM 1005 CGD TOP 1 1 28.858 12.053 16.750 0.00 1.00 -ATOM 1006 CGE TOP 1 1 27.630 14.180 10.050 0.00 1.00 -ATOM 1007 CGF TOP 1 1 27.630 14.180 13.400 0.00 1.00 -ATOM 1008 CGG TOP 1 1 27.630 14.180 16.750 0.00 1.00 -ATOM 1009 C1 BOT 1 2 15.350 15.597 0.000 0.00 1.00 -ATOM 1010 C2 BOT 1 2 15.350 15.597 3.350 0.00 1.00 -ATOM 1011 C3 BOT 1 2 15.350 15.597 6.700 0.00 1.00 -ATOM 1012 C4 BOT 1 2 14.122 17.724 0.000 0.00 1.00 -ATOM 1013 C5 BOT 1 2 14.122 17.724 3.350 0.00 1.00 -ATOM 1014 C6 BOT 1 2 14.122 17.724 6.700 0.00 1.00 -ATOM 1015 C7 BOT 1 2 12.894 19.851 0.000 0.00 1.00 -ATOM 1016 C8 BOT 1 2 12.894 19.851 3.350 0.00 1.00 -ATOM 1017 C9 BOT 1 2 12.894 19.851 6.700 0.00 1.00 -ATOM 1018 CA BOT 1 2 11.666 21.978 0.000 0.00 1.00 -ATOM 1019 CB BOT 1 2 11.666 21.978 3.350 0.00 1.00 -ATOM 1020 CC BOT 1 2 11.666 21.978 6.700 0.00 1.00 -ATOM 1021 CD BOT 1 2 10.438 24.105 0.000 0.00 1.00 -ATOM 1022 CE BOT 1 2 10.438 24.105 3.350 0.00 1.00 -ATOM 1023 CF BOT 1 2 10.438 24.105 6.700 0.00 1.00 -ATOM 1024 CG BOT 1 2 9.210 26.232 0.000 0.00 1.00 -ATOM 1025 CH BOT 1 2 9.210 26.232 3.350 0.00 1.00 -ATOM 1026 CI BOT 1 2 9.210 26.232 6.700 0.00 1.00 -ATOM 1027 CJ BOT 1 2 7.982 28.359 0.000 0.00 1.00 -ATOM 1028 CK BOT 1 2 7.982 28.359 3.350 0.00 1.00 -ATOM 1029 CL BOT 1 2 7.982 28.359 6.700 0.00 1.00 -ATOM 1030 CM BOT 1 2 6.754 0.709 0.000 0.00 1.00 -ATOM 1031 CN BOT 1 2 6.754 0.709 3.350 0.00 1.00 -ATOM 1032 CO BOT 1 2 6.754 0.709 6.700 0.00 1.00 -ATOM 1033 CP BOT 1 2 5.526 2.836 0.000 0.00 1.00 -ATOM 1034 CQ BOT 1 2 5.526 2.836 3.350 0.00 1.00 -ATOM 1035 CR BOT 1 2 5.526 2.836 6.700 0.00 1.00 -ATOM 1036 CS BOT 1 2 4.298 4.963 0.000 0.00 1.00 -ATOM 1037 CT BOT 1 2 4.298 4.963 3.350 0.00 1.00 -ATOM 1038 CU BOT 1 2 4.298 4.963 6.700 0.00 1.00 -ATOM 1039 CV BOT 1 2 3.070 7.090 0.000 0.00 1.00 -ATOM 1040 CW BOT 1 2 3.070 7.090 3.350 0.00 1.00 -ATOM 1041 CX BOT 1 2 3.070 7.090 6.700 0.00 1.00 -ATOM 1042 CY BOT 1 2 1.842 9.217 0.000 0.00 1.00 -ATOM 1043 CZ BOT 1 2 1.842 9.217 3.350 0.00 1.00 -ATOM 1044 Ca BOT 1 2 1.842 9.217 6.700 0.00 1.00 -ATOM 1045 Cb BOT 1 2 0.614 11.344 0.000 0.00 1.00 -ATOM 1046 Cc BOT 1 2 0.614 11.344 3.350 0.00 1.00 -ATOM 1047 Cd BOT 1 2 0.614 11.344 6.700 0.00 1.00 -ATOM 1048 Ce BOT 1 2 28.858 13.471 0.000 0.00 1.00 -ATOM 1049 Cf BOT 1 2 28.858 13.471 3.350 0.00 1.00 -ATOM 1050 Cg BOT 1 2 28.858 13.471 6.700 0.00 1.00 -ATOM 1051 Ch BOT 1 2 17.806 15.597 0.000 0.00 1.00 -ATOM 1052 Ci BOT 1 2 17.806 15.597 3.350 0.00 1.00 -ATOM 1053 Cj BOT 1 2 17.806 15.597 6.700 0.00 1.00 -ATOM 1054 Ck BOT 1 2 16.578 17.724 0.000 0.00 1.00 -ATOM 1055 Cl BOT 1 2 16.578 17.724 3.350 0.00 1.00 -ATOM 1056 Cm BOT 1 2 16.578 17.724 6.700 0.00 1.00 -ATOM 1057 Cn BOT 1 2 15.350 19.851 0.000 0.00 1.00 -ATOM 1058 Co BOT 1 2 15.350 19.851 3.350 0.00 1.00 -ATOM 1059 Cp BOT 1 2 15.350 19.851 6.700 0.00 1.00 -ATOM 1060 Cq BOT 1 2 14.122 21.978 0.000 0.00 1.00 -ATOM 1061 Cr BOT 1 2 14.122 21.978 3.350 0.00 1.00 -ATOM 1062 Cs BOT 1 2 14.122 21.978 6.700 0.00 1.00 -ATOM 1063 Ct BOT 1 2 12.894 24.105 0.000 0.00 1.00 -ATOM 1064 Cu BOT 1 2 12.894 24.105 3.350 0.00 1.00 -ATOM 1065 Cv BOT 1 2 12.894 24.105 6.700 0.00 1.00 -ATOM 1066 Cw BOT 1 2 11.666 26.232 0.000 0.00 1.00 -ATOM 1067 Cx BOT 1 2 11.666 26.232 3.350 0.00 1.00 -ATOM 1068 Cy BOT 1 2 11.666 26.232 6.700 0.00 1.00 -ATOM 1069 Cz BOT 1 2 10.438 28.359 0.000 0.00 1.00 -ATOM 1070 C10 BOT 1 2 10.438 28.359 3.350 0.00 1.00 -ATOM 1071 C11 BOT 1 2 10.438 28.359 6.700 0.00 1.00 -ATOM 1072 C12 BOT 1 2 9.210 0.709 0.000 0.00 1.00 -ATOM 1073 C13 BOT 1 2 9.210 0.709 3.350 0.00 1.00 -ATOM 1074 C14 BOT 1 2 9.210 0.709 6.700 0.00 1.00 -ATOM 1075 C15 BOT 1 2 7.982 2.836 0.000 0.00 1.00 -ATOM 1076 C16 BOT 1 2 7.982 2.836 3.350 0.00 1.00 -ATOM 1077 C17 BOT 1 2 7.982 2.836 6.700 0.00 1.00 -ATOM 1078 C18 BOT 1 2 6.754 4.963 0.000 0.00 1.00 -ATOM 1079 C19 BOT 1 2 6.754 4.963 3.350 0.00 1.00 -ATOM 1080 C1A BOT 1 2 6.754 4.963 6.700 0.00 1.00 -ATOM 1081 C1B BOT 1 2 5.526 7.090 0.000 0.00 1.00 -ATOM 1082 C1C BOT 1 2 5.526 7.090 3.350 0.00 1.00 -ATOM 1083 C1D BOT 1 2 5.526 7.090 6.700 0.00 1.00 -ATOM 1084 C1E BOT 1 2 4.298 9.217 0.000 0.00 1.00 -ATOM 1085 C1F BOT 1 2 4.298 9.217 3.350 0.00 1.00 -ATOM 1086 C1G BOT 1 2 4.298 9.217 6.700 0.00 1.00 -ATOM 1087 C1H BOT 1 2 3.070 11.344 0.000 0.00 1.00 -ATOM 1088 C1I BOT 1 2 3.070 11.344 3.350 0.00 1.00 -ATOM 1089 C1J BOT 1 2 3.070 11.344 6.700 0.00 1.00 -ATOM 1090 C1K BOT 1 2 1.842 13.471 0.000 0.00 1.00 -ATOM 1091 C1L BOT 1 2 1.842 13.471 3.350 0.00 1.00 -ATOM 1092 C1M BOT 1 2 1.842 13.471 6.700 0.00 1.00 -ATOM 1093 C1N BOT 1 2 20.262 15.597 0.000 0.00 1.00 -ATOM 1094 C1O BOT 1 2 20.262 15.597 3.350 0.00 1.00 -ATOM 1095 C1P BOT 1 2 20.262 15.597 6.700 0.00 1.00 -ATOM 1096 C1Q BOT 1 2 19.034 17.724 0.000 0.00 1.00 -ATOM 1097 C1R BOT 1 2 19.034 17.724 3.350 0.00 1.00 -ATOM 1098 C1S BOT 1 2 19.034 17.724 6.700 0.00 1.00 -ATOM 1099 C1T BOT 1 2 17.806 19.851 0.000 0.00 1.00 -ATOM 1100 C1U BOT 1 2 17.806 19.851 3.350 0.00 1.00 -ATOM 1101 C1V BOT 1 2 17.806 19.851 6.700 0.00 1.00 -ATOM 1102 C1W BOT 1 2 16.578 21.978 0.000 0.00 1.00 -ATOM 1103 C1X BOT 1 2 16.578 21.978 3.350 0.00 1.00 -ATOM 1104 C1Y BOT 1 2 16.578 21.978 6.700 0.00 1.00 -ATOM 1105 C1Z BOT 1 2 15.350 24.105 0.000 0.00 1.00 -ATOM 1106 C1a BOT 1 2 15.350 24.105 3.350 0.00 1.00 -ATOM 1107 C1b BOT 1 2 15.350 24.105 6.700 0.00 1.00 -ATOM 1108 C1c BOT 1 2 14.122 26.232 0.000 0.00 1.00 -ATOM 1109 C1d BOT 1 2 14.122 26.232 3.350 0.00 1.00 -ATOM 1110 C1e BOT 1 2 14.122 26.232 6.700 0.00 1.00 -ATOM 1111 C1f BOT 1 2 12.894 28.359 0.000 0.00 1.00 -ATOM 1112 C1g BOT 1 2 12.894 28.359 3.350 0.00 1.00 -ATOM 1113 C1h BOT 1 2 12.894 28.359 6.700 0.00 1.00 -ATOM 1114 C1i BOT 1 2 11.666 0.709 0.000 0.00 1.00 -ATOM 1115 C1j BOT 1 2 11.666 0.709 3.350 0.00 1.00 -ATOM 1116 C1k BOT 1 2 11.666 0.709 6.700 0.00 1.00 -ATOM 1117 C1l BOT 1 2 10.438 2.836 0.000 0.00 1.00 -ATOM 1118 C1m BOT 1 2 10.438 2.836 3.350 0.00 1.00 -ATOM 1119 C1n BOT 1 2 10.438 2.836 6.700 0.00 1.00 -ATOM 1120 C1o BOT 1 2 9.210 4.963 0.000 0.00 1.00 -ATOM 1121 C1p BOT 1 2 9.210 4.963 3.350 0.00 1.00 -ATOM 1122 C1q BOT 1 2 9.210 4.963 6.700 0.00 1.00 -ATOM 1123 C1r BOT 1 2 7.982 7.090 0.000 0.00 1.00 -ATOM 1124 C1s BOT 1 2 7.982 7.090 3.350 0.00 1.00 -ATOM 1125 C1t BOT 1 2 7.982 7.090 6.700 0.00 1.00 -ATOM 1126 C1u BOT 1 2 6.754 9.217 0.000 0.00 1.00 -ATOM 1127 C1v BOT 1 2 6.754 9.217 3.350 0.00 1.00 -ATOM 1128 C1w BOT 1 2 6.754 9.217 6.700 0.00 1.00 -ATOM 1129 C1x BOT 1 2 5.526 11.344 0.000 0.00 1.00 -ATOM 1130 C1y BOT 1 2 5.526 11.344 3.350 0.00 1.00 -ATOM 1131 C1z BOT 1 2 5.526 11.344 6.700 0.00 1.00 -ATOM 1132 C20 BOT 1 2 4.298 13.471 0.000 0.00 1.00 -ATOM 1133 C21 BOT 1 2 4.298 13.471 3.350 0.00 1.00 -ATOM 1134 C22 BOT 1 2 4.298 13.471 6.700 0.00 1.00 -ATOM 1135 C23 BOT 1 2 22.718 15.597 0.000 0.00 1.00 -ATOM 1136 C24 BOT 1 2 22.718 15.597 3.350 0.00 1.00 -ATOM 1137 C25 BOT 1 2 22.718 15.597 6.700 0.00 1.00 -ATOM 1138 C26 BOT 1 2 21.490 17.724 0.000 0.00 1.00 -ATOM 1139 C27 BOT 1 2 21.490 17.724 3.350 0.00 1.00 -ATOM 1140 C28 BOT 1 2 21.490 17.724 6.700 0.00 1.00 -ATOM 1141 C29 BOT 1 2 20.262 19.851 0.000 0.00 1.00 -ATOM 1142 C2A BOT 1 2 20.262 19.851 3.350 0.00 1.00 -ATOM 1143 C2B BOT 1 2 20.262 19.851 6.700 0.00 1.00 -ATOM 1144 C2C BOT 1 2 19.034 21.978 0.000 0.00 1.00 -ATOM 1145 C2D BOT 1 2 19.034 21.978 3.350 0.00 1.00 -ATOM 1146 C2E BOT 1 2 19.034 21.978 6.700 0.00 1.00 -ATOM 1147 C2F BOT 1 2 17.806 24.105 0.000 0.00 1.00 -ATOM 1148 C2G BOT 1 2 17.806 24.105 3.350 0.00 1.00 -ATOM 1149 C2H BOT 1 2 17.806 24.105 6.700 0.00 1.00 -ATOM 1150 C2I BOT 1 2 16.578 26.232 0.000 0.00 1.00 -ATOM 1151 C2J BOT 1 2 16.578 26.232 3.350 0.00 1.00 -ATOM 1152 C2K BOT 1 2 16.578 26.232 6.700 0.00 1.00 -ATOM 1153 C2L BOT 1 2 15.350 28.359 0.000 0.00 1.00 -ATOM 1154 C2M BOT 1 2 15.350 28.359 3.350 0.00 1.00 -ATOM 1155 C2N BOT 1 2 15.350 28.359 6.700 0.00 1.00 -ATOM 1156 C2O BOT 1 2 14.122 0.709 0.000 0.00 1.00 -ATOM 1157 C2P BOT 1 2 14.122 0.709 3.350 0.00 1.00 -ATOM 1158 C2Q BOT 1 2 14.122 0.709 6.700 0.00 1.00 -ATOM 1159 C2R BOT 1 2 12.894 2.836 0.000 0.00 1.00 -ATOM 1160 C2S BOT 1 2 12.894 2.836 3.350 0.00 1.00 -ATOM 1161 C2T BOT 1 2 12.894 2.836 6.700 0.00 1.00 -ATOM 1162 C2U BOT 1 2 11.666 4.963 0.000 0.00 1.00 -ATOM 1163 C2V BOT 1 2 11.666 4.963 3.350 0.00 1.00 -ATOM 1164 C2W BOT 1 2 11.666 4.963 6.700 0.00 1.00 -ATOM 1165 C2X BOT 1 2 10.438 7.090 0.000 0.00 1.00 -ATOM 1166 C2Y BOT 1 2 10.438 7.090 3.350 0.00 1.00 -ATOM 1167 C2Z BOT 1 2 10.438 7.090 6.700 0.00 1.00 -ATOM 1168 C2a BOT 1 2 9.210 9.217 0.000 0.00 1.00 -ATOM 1169 C2b BOT 1 2 9.210 9.217 3.350 0.00 1.00 -ATOM 1170 C2c BOT 1 2 9.210 9.217 6.700 0.00 1.00 -ATOM 1171 C2d BOT 1 2 7.982 11.344 0.000 0.00 1.00 -ATOM 1172 C2e BOT 1 2 7.982 11.344 3.350 0.00 1.00 -ATOM 1173 C2f BOT 1 2 7.982 11.344 6.700 0.00 1.00 -ATOM 1174 C2g BOT 1 2 6.754 13.471 0.000 0.00 1.00 -ATOM 1175 C2h BOT 1 2 6.754 13.471 3.350 0.00 1.00 -ATOM 1176 C2i BOT 1 2 6.754 13.471 6.700 0.00 1.00 -ATOM 1177 C2j BOT 1 2 25.174 15.597 0.000 0.00 1.00 -ATOM 1178 C2k BOT 1 2 25.174 15.597 3.350 0.00 1.00 -ATOM 1179 C2l BOT 1 2 25.174 15.597 6.700 0.00 1.00 -ATOM 1180 C2m BOT 1 2 23.946 17.724 0.000 0.00 1.00 -ATOM 1181 C2n BOT 1 2 23.946 17.724 3.350 0.00 1.00 -ATOM 1182 C2o BOT 1 2 23.946 17.724 6.700 0.00 1.00 -ATOM 1183 C2p BOT 1 2 22.718 19.851 0.000 0.00 1.00 -ATOM 1184 C2q BOT 1 2 22.718 19.851 3.350 0.00 1.00 -ATOM 1185 C2r BOT 1 2 22.718 19.851 6.700 0.00 1.00 -ATOM 1186 C2s BOT 1 2 21.490 21.978 0.000 0.00 1.00 -ATOM 1187 C2t BOT 1 2 21.490 21.978 3.350 0.00 1.00 -ATOM 1188 C2u BOT 1 2 21.490 21.978 6.700 0.00 1.00 -ATOM 1189 C2v BOT 1 2 20.262 24.105 0.000 0.00 1.00 -ATOM 1190 C2w BOT 1 2 20.262 24.105 3.350 0.00 1.00 -ATOM 1191 C2x BOT 1 2 20.262 24.105 6.700 0.00 1.00 -ATOM 1192 C2y BOT 1 2 19.034 26.232 0.000 0.00 1.00 -ATOM 1193 C2z BOT 1 2 19.034 26.232 3.350 0.00 1.00 -ATOM 1194 C30 BOT 1 2 19.034 26.232 6.700 0.00 1.00 -ATOM 1195 C31 BOT 1 2 17.806 28.359 0.000 0.00 1.00 -ATOM 1196 C32 BOT 1 2 17.806 28.359 3.350 0.00 1.00 -ATOM 1197 C33 BOT 1 2 17.806 28.359 6.700 0.00 1.00 -ATOM 1198 C34 BOT 1 2 16.578 0.709 0.000 0.00 1.00 -ATOM 1199 C35 BOT 1 2 16.578 0.709 3.350 0.00 1.00 -ATOM 1200 C36 BOT 1 2 16.578 0.709 6.700 0.00 1.00 -ATOM 1201 C37 BOT 1 2 15.350 2.836 0.000 0.00 1.00 -ATOM 1202 C38 BOT 1 2 15.350 2.836 3.350 0.00 1.00 -ATOM 1203 C39 BOT 1 2 15.350 2.836 6.700 0.00 1.00 -ATOM 1204 C3A BOT 1 2 14.122 4.963 0.000 0.00 1.00 -ATOM 1205 C3B BOT 1 2 14.122 4.963 3.350 0.00 1.00 -ATOM 1206 C3C BOT 1 2 14.122 4.963 6.700 0.00 1.00 -ATOM 1207 C3D BOT 1 2 12.894 7.090 0.000 0.00 1.00 -ATOM 1208 C3E BOT 1 2 12.894 7.090 3.350 0.00 1.00 -ATOM 1209 C3F BOT 1 2 12.894 7.090 6.700 0.00 1.00 -ATOM 1210 C3G BOT 1 2 11.666 9.217 0.000 0.00 1.00 -ATOM 1211 C3H BOT 1 2 11.666 9.217 3.350 0.00 1.00 -ATOM 1212 C3I BOT 1 2 11.666 9.217 6.700 0.00 1.00 -ATOM 1213 C3J BOT 1 2 10.438 11.344 0.000 0.00 1.00 -ATOM 1214 C3K BOT 1 2 10.438 11.344 3.350 0.00 1.00 -ATOM 1215 C3L BOT 1 2 10.438 11.344 6.700 0.00 1.00 -ATOM 1216 C3M BOT 1 2 9.210 13.471 0.000 0.00 1.00 -ATOM 1217 C3N BOT 1 2 9.210 13.471 3.350 0.00 1.00 -ATOM 1218 C3O BOT 1 2 9.210 13.471 6.700 0.00 1.00 -ATOM 1219 C3P BOT 1 2 27.630 15.597 0.000 0.00 1.00 -ATOM 1220 C3Q BOT 1 2 27.630 15.597 3.350 0.00 1.00 -ATOM 1221 C3R BOT 1 2 27.630 15.597 6.700 0.00 1.00 -ATOM 1222 C3S BOT 1 2 26.402 17.724 0.000 0.00 1.00 -ATOM 1223 C3T BOT 1 2 26.402 17.724 3.350 0.00 1.00 -ATOM 1224 C3U BOT 1 2 26.402 17.724 6.700 0.00 1.00 -ATOM 1225 C3V BOT 1 2 25.174 19.851 0.000 0.00 1.00 -ATOM 1226 C3W BOT 1 2 25.174 19.851 3.350 0.00 1.00 -ATOM 1227 C3X BOT 1 2 25.174 19.851 6.700 0.00 1.00 -ATOM 1228 C3Y BOT 1 2 23.946 21.978 0.000 0.00 1.00 -ATOM 1229 C3Z BOT 1 2 23.946 21.978 3.350 0.00 1.00 -ATOM 1230 C3a BOT 1 2 23.946 21.978 6.700 0.00 1.00 -ATOM 1231 C3b BOT 1 2 22.718 24.105 0.000 0.00 1.00 -ATOM 1232 C3c BOT 1 2 22.718 24.105 3.350 0.00 1.00 -ATOM 1233 C3d BOT 1 2 22.718 24.105 6.700 0.00 1.00 -ATOM 1234 C3e BOT 1 2 21.490 26.232 0.000 0.00 1.00 -ATOM 1235 C3f BOT 1 2 21.490 26.232 3.350 0.00 1.00 -ATOM 1236 C3g BOT 1 2 21.490 26.232 6.700 0.00 1.00 -ATOM 1237 C3h BOT 1 2 20.262 28.359 0.000 0.00 1.00 -ATOM 1238 C3i BOT 1 2 20.262 28.359 3.350 0.00 1.00 -ATOM 1239 C3j BOT 1 2 20.262 28.359 6.700 0.00 1.00 -ATOM 1240 C3k BOT 1 2 19.034 0.709 0.000 0.00 1.00 -ATOM 1241 C3l BOT 1 2 19.034 0.709 3.350 0.00 1.00 -ATOM 1242 C3m BOT 1 2 19.034 0.709 6.700 0.00 1.00 -ATOM 1243 C3n BOT 1 2 17.806 2.836 0.000 0.00 1.00 -ATOM 1244 C3o BOT 1 2 17.806 2.836 3.350 0.00 1.00 -ATOM 1245 C3p BOT 1 2 17.806 2.836 6.700 0.00 1.00 -ATOM 1246 C3q BOT 1 2 16.578 4.963 0.000 0.00 1.00 -ATOM 1247 C3r BOT 1 2 16.578 4.963 3.350 0.00 1.00 -ATOM 1248 C3s BOT 1 2 16.578 4.963 6.700 0.00 1.00 -ATOM 1249 C3t BOT 1 2 15.350 7.090 0.000 0.00 1.00 -ATOM 1250 C3u BOT 1 2 15.350 7.090 3.350 0.00 1.00 -ATOM 1251 C3v BOT 1 2 15.350 7.090 6.700 0.00 1.00 -ATOM 1252 C3w BOT 1 2 14.122 9.217 0.000 0.00 1.00 -ATOM 1253 C3x BOT 1 2 14.122 9.217 3.350 0.00 1.00 -ATOM 1254 C3y BOT 1 2 14.122 9.217 6.700 0.00 1.00 -ATOM 1255 C3z BOT 1 2 12.894 11.344 0.000 0.00 1.00 -ATOM 1256 C40 BOT 1 2 12.894 11.344 3.350 0.00 1.00 -ATOM 1257 C41 BOT 1 2 12.894 11.344 6.700 0.00 1.00 -ATOM 1258 C42 BOT 1 2 11.666 13.471 0.000 0.00 1.00 -ATOM 1259 C43 BOT 1 2 11.666 13.471 3.350 0.00 1.00 -ATOM 1260 C44 BOT 1 2 11.666 13.471 6.700 0.00 1.00 -ATOM 1261 C45 BOT 1 2 0.614 15.597 0.000 0.00 1.00 -ATOM 1262 C46 BOT 1 2 0.614 15.597 3.350 0.00 1.00 -ATOM 1263 C47 BOT 1 2 0.614 15.597 6.700 0.00 1.00 -ATOM 1264 C48 BOT 1 2 28.858 17.724 0.000 0.00 1.00 -ATOM 1265 C49 BOT 1 2 28.858 17.724 3.350 0.00 1.00 -ATOM 1266 C4A BOT 1 2 28.858 17.724 6.700 0.00 1.00 -ATOM 1267 C4B BOT 1 2 27.630 19.851 0.000 0.00 1.00 -ATOM 1268 C4C BOT 1 2 27.630 19.851 3.350 0.00 1.00 -ATOM 1269 C4D BOT 1 2 27.630 19.851 6.700 0.00 1.00 -ATOM 1270 C4E BOT 1 2 26.402 21.978 0.000 0.00 1.00 -ATOM 1271 C4F 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5.526 15.597 6.700 0.00 1.00 -ATOM 1348 C5U BOT 1 2 4.298 17.724 0.000 0.00 1.00 -ATOM 1349 C5V BOT 1 2 4.298 17.724 3.350 0.00 1.00 -ATOM 1350 C5W BOT 1 2 4.298 17.724 6.700 0.00 1.00 -ATOM 1351 C5X BOT 1 2 3.070 19.851 0.000 0.00 1.00 -ATOM 1352 C5Y BOT 1 2 3.070 19.851 3.350 0.00 1.00 -ATOM 1353 C5Z BOT 1 2 3.070 19.851 6.700 0.00 1.00 -ATOM 1354 C5a BOT 1 2 1.842 21.978 0.000 0.00 1.00 -ATOM 1355 C5b BOT 1 2 1.842 21.978 3.350 0.00 1.00 -ATOM 1356 C5c BOT 1 2 1.842 21.978 6.700 0.00 1.00 -ATOM 1357 C5d BOT 1 2 0.614 24.105 0.000 0.00 1.00 -ATOM 1358 C5e BOT 1 2 0.614 24.105 3.350 0.00 1.00 -ATOM 1359 C5f BOT 1 2 0.614 24.105 6.700 0.00 1.00 -ATOM 1360 C5g BOT 1 2 28.858 26.232 0.000 0.00 1.00 -ATOM 1361 C5h BOT 1 2 28.858 26.232 3.350 0.00 1.00 -ATOM 1362 C5i BOT 1 2 28.858 26.232 6.700 0.00 1.00 -ATOM 1363 C5j BOT 1 2 27.630 28.359 0.000 0.00 1.00 -ATOM 1364 C5k BOT 1 2 27.630 28.359 3.350 0.00 1.00 -ATOM 1365 C5l BOT 1 2 27.630 28.359 6.700 0.00 1.00 -ATOM 1366 C5m BOT 1 2 26.402 0.709 0.000 0.00 1.00 -ATOM 1367 C5n BOT 1 2 26.402 0.709 3.350 0.00 1.00 -ATOM 1368 C5o BOT 1 2 26.402 0.709 6.700 0.00 1.00 -ATOM 1369 C5p BOT 1 2 25.174 2.836 0.000 0.00 1.00 -ATOM 1370 C5q BOT 1 2 25.174 2.836 3.350 0.00 1.00 -ATOM 1371 C5r BOT 1 2 25.174 2.836 6.700 0.00 1.00 -ATOM 1372 C5s BOT 1 2 23.946 4.963 0.000 0.00 1.00 -ATOM 1373 C5t BOT 1 2 23.946 4.963 3.350 0.00 1.00 -ATOM 1374 C5u BOT 1 2 23.946 4.963 6.700 0.00 1.00 -ATOM 1375 C5v BOT 1 2 22.718 7.090 0.000 0.00 1.00 -ATOM 1376 C5w BOT 1 2 22.718 7.090 3.350 0.00 1.00 -ATOM 1377 C5x BOT 1 2 22.718 7.090 6.700 0.00 1.00 -ATOM 1378 C5y BOT 1 2 21.490 9.217 0.000 0.00 1.00 -ATOM 1379 C5z BOT 1 2 21.490 9.217 3.350 0.00 1.00 -ATOM 1380 C60 BOT 1 2 21.490 9.217 6.700 0.00 1.00 -ATOM 1381 C61 BOT 1 2 20.262 11.344 0.000 0.00 1.00 -ATOM 1382 C62 BOT 1 2 20.262 11.344 3.350 0.00 1.00 -ATOM 1383 C63 BOT 1 2 20.262 11.344 6.700 0.00 1.00 -ATOM 1384 C64 BOT 1 2 19.034 13.471 0.000 0.00 1.00 -ATOM 1385 C65 BOT 1 2 19.034 13.471 3.350 0.00 1.00 -ATOM 1386 C66 BOT 1 2 19.034 13.471 6.700 0.00 1.00 -ATOM 1387 C67 BOT 1 2 7.982 15.597 0.000 0.00 1.00 -ATOM 1388 C68 BOT 1 2 7.982 15.597 3.350 0.00 1.00 -ATOM 1389 C69 BOT 1 2 7.982 15.597 6.700 0.00 1.00 -ATOM 1390 C6A BOT 1 2 6.754 17.724 0.000 0.00 1.00 -ATOM 1391 C6B BOT 1 2 6.754 17.724 3.350 0.00 1.00 -ATOM 1392 C6C BOT 1 2 6.754 17.724 6.700 0.00 1.00 -ATOM 1393 C6D BOT 1 2 5.526 19.851 0.000 0.00 1.00 -ATOM 1394 C6E BOT 1 2 5.526 19.851 3.350 0.00 1.00 -ATOM 1395 C6F BOT 1 2 5.526 19.851 6.700 0.00 1.00 -ATOM 1396 C6G BOT 1 2 4.298 21.978 0.000 0.00 1.00 -ATOM 1397 C6H BOT 1 2 4.298 21.978 3.350 0.00 1.00 -ATOM 1398 C6I BOT 1 2 4.298 21.978 6.700 0.00 1.00 -ATOM 1399 C6J BOT 1 2 3.070 24.105 0.000 0.00 1.00 -ATOM 1400 C6K BOT 1 2 3.070 24.105 3.350 0.00 1.00 -ATOM 1401 C6L BOT 1 2 3.070 24.105 6.700 0.00 1.00 -ATOM 1402 C6M BOT 1 2 1.842 26.232 0.000 0.00 1.00 -ATOM 1403 C6N BOT 1 2 1.842 26.232 3.350 0.00 1.00 -ATOM 1404 C6O BOT 1 2 1.842 26.232 6.700 0.00 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1424 C6i BOT 1 2 22.718 11.344 3.350 0.00 1.00 -ATOM 1425 C6j BOT 1 2 22.718 11.344 6.700 0.00 1.00 -ATOM 1426 C6k BOT 1 2 21.490 13.471 0.000 0.00 1.00 -ATOM 1427 C6l BOT 1 2 21.490 13.471 3.350 0.00 1.00 -ATOM 1428 C6m BOT 1 2 21.490 13.471 6.700 0.00 1.00 -ATOM 1429 C6n BOT 1 2 10.438 15.597 0.000 0.00 1.00 -ATOM 1430 C6o BOT 1 2 10.438 15.597 3.350 0.00 1.00 -ATOM 1431 C6p BOT 1 2 10.438 15.597 6.700 0.00 1.00 -ATOM 1432 C6q BOT 1 2 9.210 17.724 0.000 0.00 1.00 -ATOM 1433 C6r BOT 1 2 9.210 17.724 3.350 0.00 1.00 -ATOM 1434 C6s BOT 1 2 9.210 17.724 6.700 0.00 1.00 -ATOM 1435 C6t BOT 1 2 7.982 19.851 0.000 0.00 1.00 -ATOM 1436 C6u BOT 1 2 7.982 19.851 3.350 0.00 1.00 -ATOM 1437 C6v BOT 1 2 7.982 19.851 6.700 0.00 1.00 -ATOM 1438 C6w BOT 1 2 6.754 21.978 0.000 0.00 1.00 -ATOM 1439 C6x BOT 1 2 6.754 21.978 3.350 0.00 1.00 -ATOM 1440 C6y BOT 1 2 6.754 21.978 6.700 0.00 1.00 -ATOM 1441 C6z BOT 1 2 5.526 24.105 0.000 0.00 1.00 -ATOM 1442 C70 BOT 1 2 5.526 24.105 3.350 0.00 1.00 -ATOM 1443 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14.180 6.700 0.00 1.00 -ATOM 1597 C9V BOT 1 2 21.490 16.306 0.000 0.00 1.00 -ATOM 1598 C9W BOT 1 2 21.490 16.306 3.350 0.00 1.00 -ATOM 1599 C9X BOT 1 2 21.490 16.306 6.700 0.00 1.00 -ATOM 1600 C9Y BOT 1 2 20.262 18.433 0.000 0.00 1.00 -ATOM 1601 C9Z BOT 1 2 20.262 18.433 3.350 0.00 1.00 -ATOM 1602 C9a BOT 1 2 20.262 18.433 6.700 0.00 1.00 -ATOM 1603 C9b BOT 1 2 19.034 20.560 0.000 0.00 1.00 -ATOM 1604 C9c BOT 1 2 19.034 20.560 3.350 0.00 1.00 -ATOM 1605 C9d BOT 1 2 19.034 20.560 6.700 0.00 1.00 -ATOM 1606 C9e BOT 1 2 17.806 22.687 0.000 0.00 1.00 -ATOM 1607 C9f BOT 1 2 17.806 22.687 3.350 0.00 1.00 -ATOM 1608 C9g BOT 1 2 17.806 22.687 6.700 0.00 1.00 -ATOM 1609 C9h BOT 1 2 16.578 24.814 0.000 0.00 1.00 -ATOM 1610 C9i BOT 1 2 16.578 24.814 3.350 0.00 1.00 -ATOM 1611 C9j BOT 1 2 16.578 24.814 6.700 0.00 1.00 -ATOM 1612 C9k BOT 1 2 15.350 26.941 0.000 0.00 1.00 -ATOM 1613 C9l BOT 1 2 15.350 26.941 3.350 0.00 1.00 -ATOM 1614 C9m BOT 1 2 15.350 26.941 6.700 0.00 1.00 -ATOM 1615 C9n BOT 1 2 14.122 29.068 0.000 0.00 1.00 -ATOM 1616 C9o BOT 1 2 14.122 29.068 3.350 0.00 1.00 -ATOM 1617 C9p BOT 1 2 14.122 29.068 6.700 0.00 1.00 -ATOM 1618 C9q BOT 1 2 12.894 1.418 0.000 0.00 1.00 -ATOM 1619 C9r BOT 1 2 12.894 1.418 3.350 0.00 1.00 -ATOM 1620 C9s BOT 1 2 12.894 1.418 6.700 0.00 1.00 -ATOM 1621 C9t BOT 1 2 11.666 3.545 0.000 0.00 1.00 -ATOM 1622 C9u BOT 1 2 11.666 3.545 3.350 0.00 1.00 -ATOM 1623 C9v BOT 1 2 11.666 3.545 6.700 0.00 1.00 -ATOM 1624 C9w BOT 1 2 10.438 5.672 0.000 0.00 1.00 -ATOM 1625 C9x BOT 1 2 10.438 5.672 3.350 0.00 1.00 -ATOM 1626 C9y BOT 1 2 10.438 5.672 6.700 0.00 1.00 -ATOM 1627 C9z BOT 1 2 9.210 7.799 0.000 0.00 1.00 -ATOM 1628 CA0 BOT 1 2 9.210 7.799 3.350 0.00 1.00 -ATOM 1629 CA1 BOT 1 2 9.210 7.799 6.700 0.00 1.00 -ATOM 1630 CA2 BOT 1 2 7.982 9.926 0.000 0.00 1.00 -ATOM 1631 CA3 BOT 1 2 7.982 9.926 3.350 0.00 1.00 -ATOM 1632 CA4 BOT 1 2 7.982 9.926 6.700 0.00 1.00 -ATOM 1633 CA5 BOT 1 2 6.754 12.053 0.000 0.00 1.00 -ATOM 1634 CA6 BOT 1 2 6.754 12.053 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24.814 6.700 0.00 1.00 -ATOM 1654 CAQ BOT 1 2 17.806 26.941 0.000 0.00 1.00 -ATOM 1655 CAR BOT 1 2 17.806 26.941 3.350 0.00 1.00 -ATOM 1656 CAS BOT 1 2 17.806 26.941 6.700 0.00 1.00 -ATOM 1657 CAT BOT 1 2 16.578 29.068 0.000 0.00 1.00 -ATOM 1658 CAU BOT 1 2 16.578 29.068 3.350 0.00 1.00 -ATOM 1659 CAV BOT 1 2 16.578 29.068 6.700 0.00 1.00 -ATOM 1660 CAW BOT 1 2 15.350 1.418 0.000 0.00 1.00 -ATOM 1661 CAX BOT 1 2 15.350 1.418 3.350 0.00 1.00 -ATOM 1662 CAY BOT 1 2 15.350 1.418 6.700 0.00 1.00 -ATOM 1663 CAZ BOT 1 2 14.122 3.545 0.000 0.00 1.00 -ATOM 1664 CAa BOT 1 2 14.122 3.545 3.350 0.00 1.00 -ATOM 1665 CAb BOT 1 2 14.122 3.545 6.700 0.00 1.00 -ATOM 1666 CAc BOT 1 2 12.894 5.672 0.000 0.00 1.00 -ATOM 1667 CAd BOT 1 2 12.894 5.672 3.350 0.00 1.00 -ATOM 1668 CAe BOT 1 2 12.894 5.672 6.700 0.00 1.00 -ATOM 1669 CAf BOT 1 2 11.666 7.799 0.000 0.00 1.00 -ATOM 1670 CAg BOT 1 2 11.666 7.799 3.350 0.00 1.00 -ATOM 1671 CAh BOT 1 2 11.666 7.799 6.700 0.00 1.00 -ATOM 1672 CAi BOT 1 2 10.438 9.926 0.000 0.00 1.00 -ATOM 1673 CAj BOT 1 2 10.438 9.926 3.350 0.00 1.00 -ATOM 1674 CAk BOT 1 2 10.438 9.926 6.700 0.00 1.00 -ATOM 1675 CAl BOT 1 2 9.210 12.053 0.000 0.00 1.00 -ATOM 1676 CAm BOT 1 2 9.210 12.053 3.350 0.00 1.00 -ATOM 1677 CAn BOT 1 2 9.210 12.053 6.700 0.00 1.00 -ATOM 1678 CAo BOT 1 2 7.982 14.180 0.000 0.00 1.00 -ATOM 1679 CAp BOT 1 2 7.982 14.180 3.350 0.00 1.00 -ATOM 1680 CAq BOT 1 2 7.982 14.180 6.700 0.00 1.00 -ATOM 1681 CAr BOT 1 2 26.402 16.306 0.000 0.00 1.00 -ATOM 1682 CAs BOT 1 2 26.402 16.306 3.350 0.00 1.00 -ATOM 1683 CAt BOT 1 2 26.402 16.306 6.700 0.00 1.00 -ATOM 1684 CAu BOT 1 2 25.174 18.433 0.000 0.00 1.00 -ATOM 1685 CAv BOT 1 2 25.174 18.433 3.350 0.00 1.00 -ATOM 1686 CAw BOT 1 2 25.174 18.433 6.700 0.00 1.00 -ATOM 1687 CAx BOT 1 2 23.946 20.560 0.000 0.00 1.00 -ATOM 1688 CAy BOT 1 2 23.946 20.560 3.350 0.00 1.00 -ATOM 1689 CAz BOT 1 2 23.946 20.560 6.700 0.00 1.00 -ATOM 1690 CB0 BOT 1 2 22.718 22.687 0.000 0.00 1.00 -ATOM 1691 CB1 BOT 1 2 22.718 22.687 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6.700 0.00 1.00 -ATOM 1711 CBL BOT 1 2 14.122 7.799 0.000 0.00 1.00 -ATOM 1712 CBM BOT 1 2 14.122 7.799 3.350 0.00 1.00 -ATOM 1713 CBN BOT 1 2 14.122 7.799 6.700 0.00 1.00 -ATOM 1714 CBO BOT 1 2 12.894 9.926 0.000 0.00 1.00 -ATOM 1715 CBP BOT 1 2 12.894 9.926 3.350 0.00 1.00 -ATOM 1716 CBQ BOT 1 2 12.894 9.926 6.700 0.00 1.00 -ATOM 1717 CBR BOT 1 2 11.666 12.053 0.000 0.00 1.00 -ATOM 1718 CBS BOT 1 2 11.666 12.053 3.350 0.00 1.00 -ATOM 1719 CBT BOT 1 2 11.666 12.053 6.700 0.00 1.00 -ATOM 1720 CBU BOT 1 2 10.438 14.180 0.000 0.00 1.00 -ATOM 1721 CBV BOT 1 2 10.438 14.180 3.350 0.00 1.00 -ATOM 1722 CBW BOT 1 2 10.438 14.180 6.700 0.00 1.00 -ATOM 1723 CBX BOT 1 2 28.858 16.306 0.000 0.00 1.00 -ATOM 1724 CBY BOT 1 2 28.858 16.306 3.350 0.00 1.00 -ATOM 1725 CBZ BOT 1 2 28.858 16.306 6.700 0.00 1.00 -ATOM 1726 CBa BOT 1 2 27.630 18.433 0.000 0.00 1.00 -ATOM 1727 CBb BOT 1 2 27.630 18.433 3.350 0.00 1.00 -ATOM 1728 CBc BOT 1 2 27.630 18.433 6.700 0.00 1.00 -ATOM 1729 CBd BOT 1 2 26.402 20.560 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3.545 3.350 0.00 1.00 -ATOM 1749 CBx BOT 1 2 19.034 3.545 6.700 0.00 1.00 -ATOM 1750 CBy BOT 1 2 17.806 5.672 0.000 0.00 1.00 -ATOM 1751 CBz BOT 1 2 17.806 5.672 3.350 0.00 1.00 -ATOM 1752 CC0 BOT 1 2 17.806 5.672 6.700 0.00 1.00 -ATOM 1753 CC1 BOT 1 2 16.578 7.799 0.000 0.00 1.00 -ATOM 1754 CC2 BOT 1 2 16.578 7.799 3.350 0.00 1.00 -ATOM 1755 CC3 BOT 1 2 16.578 7.799 6.700 0.00 1.00 -ATOM 1756 CC4 BOT 1 2 15.350 9.926 0.000 0.00 1.00 -ATOM 1757 CC5 BOT 1 2 15.350 9.926 3.350 0.00 1.00 -ATOM 1758 CC6 BOT 1 2 15.350 9.926 6.700 0.00 1.00 -ATOM 1759 CC7 BOT 1 2 14.122 12.053 0.000 0.00 1.00 -ATOM 1760 CC8 BOT 1 2 14.122 12.053 3.350 0.00 1.00 -ATOM 1761 CC9 BOT 1 2 14.122 12.053 6.700 0.00 1.00 -ATOM 1762 CCA BOT 1 2 12.894 14.180 0.000 0.00 1.00 -ATOM 1763 CCB BOT 1 2 12.894 14.180 3.350 0.00 1.00 -ATOM 1764 CCC BOT 1 2 12.894 14.180 6.700 0.00 1.00 -ATOM 1765 CCD BOT 1 2 1.842 16.306 0.000 0.00 1.00 -ATOM 1766 CCE BOT 1 2 1.842 16.306 3.350 0.00 1.00 -ATOM 1767 CCF BOT 1 2 1.842 16.306 6.700 0.00 1.00 -ATOM 1768 CCG BOT 1 2 0.614 18.433 0.000 0.00 1.00 -ATOM 1769 CCH BOT 1 2 0.614 18.433 3.350 0.00 1.00 -ATOM 1770 CCI BOT 1 2 0.614 18.433 6.700 0.00 1.00 -ATOM 1771 CCJ BOT 1 2 28.858 20.560 0.000 0.00 1.00 -ATOM 1772 CCK BOT 1 2 28.858 20.560 3.350 0.00 1.00 -ATOM 1773 CCL BOT 1 2 28.858 20.560 6.700 0.00 1.00 -ATOM 1774 CCM BOT 1 2 27.630 22.687 0.000 0.00 1.00 -ATOM 1775 CCN BOT 1 2 27.630 22.687 3.350 0.00 1.00 -ATOM 1776 CCO BOT 1 2 27.630 22.687 6.700 0.00 1.00 -ATOM 1777 CCP BOT 1 2 26.402 24.814 0.000 0.00 1.00 -ATOM 1778 CCQ BOT 1 2 26.402 24.814 3.350 0.00 1.00 -ATOM 1779 CCR BOT 1 2 26.402 24.814 6.700 0.00 1.00 -ATOM 1780 CCS BOT 1 2 25.174 26.941 0.000 0.00 1.00 -ATOM 1781 CCT BOT 1 2 25.174 26.941 3.350 0.00 1.00 -ATOM 1782 CCU BOT 1 2 25.174 26.941 6.700 0.00 1.00 -ATOM 1783 CCV BOT 1 2 23.946 29.068 0.000 0.00 1.00 -ATOM 1784 CCW BOT 1 2 23.946 29.068 3.350 0.00 1.00 -ATOM 1785 CCX BOT 1 2 23.946 29.068 6.700 0.00 1.00 -ATOM 1786 CCY BOT 1 2 22.718 1.418 0.000 0.00 1.00 -ATOM 1787 CCZ BOT 1 2 22.718 1.418 3.350 0.00 1.00 -ATOM 1788 CCa BOT 1 2 22.718 1.418 6.700 0.00 1.00 -ATOM 1789 CCb BOT 1 2 21.490 3.545 0.000 0.00 1.00 -ATOM 1790 CCc BOT 1 2 21.490 3.545 3.350 0.00 1.00 -ATOM 1791 CCd BOT 1 2 21.490 3.545 6.700 0.00 1.00 -ATOM 1792 CCe BOT 1 2 20.262 5.672 0.000 0.00 1.00 -ATOM 1793 CCf BOT 1 2 20.262 5.672 3.350 0.00 1.00 -ATOM 1794 CCg BOT 1 2 20.262 5.672 6.700 0.00 1.00 -ATOM 1795 CCh BOT 1 2 19.034 7.799 0.000 0.00 1.00 -ATOM 1796 CCi BOT 1 2 19.034 7.799 3.350 0.00 1.00 -ATOM 1797 CCj BOT 1 2 19.034 7.799 6.700 0.00 1.00 -ATOM 1798 CCk BOT 1 2 17.806 9.926 0.000 0.00 1.00 -ATOM 1799 CCl BOT 1 2 17.806 9.926 3.350 0.00 1.00 -ATOM 1800 CCm BOT 1 2 17.806 9.926 6.700 0.00 1.00 -ATOM 1801 CCn BOT 1 2 16.578 12.053 0.000 0.00 1.00 -ATOM 1802 CCo BOT 1 2 16.578 12.053 3.350 0.00 1.00 -ATOM 1803 CCp BOT 1 2 16.578 12.053 6.700 0.00 1.00 -ATOM 1804 CCq BOT 1 2 15.350 14.180 0.000 0.00 1.00 -ATOM 1805 CCr BOT 1 2 15.350 14.180 3.350 0.00 1.00 -ATOM 1806 CCs BOT 1 2 15.350 14.180 6.700 0.00 1.00 -ATOM 1807 CCt BOT 1 2 4.298 16.306 0.000 0.00 1.00 -ATOM 1808 CCu BOT 1 2 4.298 16.306 3.350 0.00 1.00 -ATOM 1809 CCv BOT 1 2 4.298 16.306 6.700 0.00 1.00 -ATOM 1810 CCw BOT 1 2 3.070 18.433 0.000 0.00 1.00 -ATOM 1811 CCx BOT 1 2 3.070 18.433 3.350 0.00 1.00 -ATOM 1812 CCy BOT 1 2 3.070 18.433 6.700 0.00 1.00 -ATOM 1813 CCz BOT 1 2 1.842 20.560 0.000 0.00 1.00 -ATOM 1814 CD0 BOT 1 2 1.842 20.560 3.350 0.00 1.00 -ATOM 1815 CD1 BOT 1 2 1.842 20.560 6.700 0.00 1.00 -ATOM 1816 CD2 BOT 1 2 0.614 22.687 0.000 0.00 1.00 -ATOM 1817 CD3 BOT 1 2 0.614 22.687 3.350 0.00 1.00 -ATOM 1818 CD4 BOT 1 2 0.614 22.687 6.700 0.00 1.00 -ATOM 1819 CD5 BOT 1 2 28.858 24.814 0.000 0.00 1.00 -ATOM 1820 CD6 BOT 1 2 28.858 24.814 3.350 0.00 1.00 -ATOM 1821 CD7 BOT 1 2 28.858 24.814 6.700 0.00 1.00 -ATOM 1822 CD8 BOT 1 2 27.630 26.941 0.000 0.00 1.00 -ATOM 1823 CD9 BOT 1 2 27.630 26.941 3.350 0.00 1.00 -ATOM 1824 CDA BOT 1 2 27.630 26.941 6.700 0.00 1.00 -ATOM 1825 CDB BOT 1 2 26.402 29.068 0.000 0.00 1.00 -ATOM 1826 CDC BOT 1 2 26.402 29.068 3.350 0.00 1.00 -ATOM 1827 CDD BOT 1 2 26.402 29.068 6.700 0.00 1.00 -ATOM 1828 CDE BOT 1 2 25.174 1.418 0.000 0.00 1.00 -ATOM 1829 CDF BOT 1 2 25.174 1.418 3.350 0.00 1.00 -ATOM 1830 CDG BOT 1 2 25.174 1.418 6.700 0.00 1.00 -ATOM 1831 CDH BOT 1 2 23.946 3.545 0.000 0.00 1.00 -ATOM 1832 CDI BOT 1 2 23.946 3.545 3.350 0.00 1.00 -ATOM 1833 CDJ BOT 1 2 23.946 3.545 6.700 0.00 1.00 -ATOM 1834 CDK BOT 1 2 22.718 5.672 0.000 0.00 1.00 -ATOM 1835 CDL BOT 1 2 22.718 5.672 3.350 0.00 1.00 -ATOM 1836 CDM BOT 1 2 22.718 5.672 6.700 0.00 1.00 -ATOM 1837 CDN BOT 1 2 21.490 7.799 0.000 0.00 1.00 -ATOM 1838 CDO BOT 1 2 21.490 7.799 3.350 0.00 1.00 -ATOM 1839 CDP BOT 1 2 21.490 7.799 6.700 0.00 1.00 -ATOM 1840 CDQ BOT 1 2 20.262 9.926 0.000 0.00 1.00 -ATOM 1841 CDR BOT 1 2 20.262 9.926 3.350 0.00 1.00 -ATOM 1842 CDS BOT 1 2 20.262 9.926 6.700 0.00 1.00 -ATOM 1843 CDT BOT 1 2 19.034 12.053 0.000 0.00 1.00 -ATOM 1844 CDU BOT 1 2 19.034 12.053 3.350 0.00 1.00 -ATOM 1845 CDV BOT 1 2 19.034 12.053 6.700 0.00 1.00 -ATOM 1846 CDW BOT 1 2 17.806 14.180 0.000 0.00 1.00 -ATOM 1847 CDX BOT 1 2 17.806 14.180 3.350 0.00 1.00 -ATOM 1848 CDY BOT 1 2 17.806 14.180 6.700 0.00 1.00 -ATOM 1849 CDZ BOT 1 2 6.754 16.306 0.000 0.00 1.00 -ATOM 1850 CDa BOT 1 2 6.754 16.306 3.350 0.00 1.00 -ATOM 1851 CDb BOT 1 2 6.754 16.306 6.700 0.00 1.00 -ATOM 1852 CDc BOT 1 2 5.526 18.433 0.000 0.00 1.00 -ATOM 1853 CDd BOT 1 2 5.526 18.433 3.350 0.00 1.00 -ATOM 1854 CDe BOT 1 2 5.526 18.433 6.700 0.00 1.00 -ATOM 1855 CDf BOT 1 2 4.298 20.560 0.000 0.00 1.00 -ATOM 1856 CDg BOT 1 2 4.298 20.560 3.350 0.00 1.00 -ATOM 1857 CDh BOT 1 2 4.298 20.560 6.700 0.00 1.00 -ATOM 1858 CDi BOT 1 2 3.070 22.687 0.000 0.00 1.00 -ATOM 1859 CDj BOT 1 2 3.070 22.687 3.350 0.00 1.00 -ATOM 1860 CDk BOT 1 2 3.070 22.687 6.700 0.00 1.00 -ATOM 1861 CDl BOT 1 2 1.842 24.814 0.000 0.00 1.00 -ATOM 1862 CDm BOT 1 2 1.842 24.814 3.350 0.00 1.00 -ATOM 1863 CDn BOT 1 2 1.842 24.814 6.700 0.00 1.00 -ATOM 1864 CDo BOT 1 2 0.614 26.941 0.000 0.00 1.00 -ATOM 1865 CDp BOT 1 2 0.614 26.941 3.350 0.00 1.00 -ATOM 1866 CDq BOT 1 2 0.614 26.941 6.700 0.00 1.00 -ATOM 1867 CDr BOT 1 2 28.858 29.068 0.000 0.00 1.00 -ATOM 1868 CDs BOT 1 2 28.858 29.068 3.350 0.00 1.00 -ATOM 1869 CDt BOT 1 2 28.858 29.068 6.700 0.00 1.00 -ATOM 1870 CDu BOT 1 2 27.630 1.418 0.000 0.00 1.00 -ATOM 1871 CDv BOT 1 2 27.630 1.418 3.350 0.00 1.00 -ATOM 1872 CDw BOT 1 2 27.630 1.418 6.700 0.00 1.00 -ATOM 1873 CDx BOT 1 2 26.402 3.545 0.000 0.00 1.00 -ATOM 1874 CDy BOT 1 2 26.402 3.545 3.350 0.00 1.00 -ATOM 1875 CDz BOT 1 2 26.402 3.545 6.700 0.00 1.00 -ATOM 1876 CE0 BOT 1 2 25.174 5.672 0.000 0.00 1.00 -ATOM 1877 CE1 BOT 1 2 25.174 5.672 3.350 0.00 1.00 -ATOM 1878 CE2 BOT 1 2 25.174 5.672 6.700 0.00 1.00 -ATOM 1879 CE3 BOT 1 2 23.946 7.799 0.000 0.00 1.00 -ATOM 1880 CE4 BOT 1 2 23.946 7.799 3.350 0.00 1.00 -ATOM 1881 CE5 BOT 1 2 23.946 7.799 6.700 0.00 1.00 -ATOM 1882 CE6 BOT 1 2 22.718 9.926 0.000 0.00 1.00 -ATOM 1883 CE7 BOT 1 2 22.718 9.926 3.350 0.00 1.00 -ATOM 1884 CE8 BOT 1 2 22.718 9.926 6.700 0.00 1.00 -ATOM 1885 CE9 BOT 1 2 21.490 12.053 0.000 0.00 1.00 -ATOM 1886 CEA BOT 1 2 21.490 12.053 3.350 0.00 1.00 -ATOM 1887 CEB BOT 1 2 21.490 12.053 6.700 0.00 1.00 -ATOM 1888 CEC BOT 1 2 20.262 14.180 0.000 0.00 1.00 -ATOM 1889 CED BOT 1 2 20.262 14.180 3.350 0.00 1.00 -ATOM 1890 CEE BOT 1 2 20.262 14.180 6.700 0.00 1.00 -ATOM 1891 CEF BOT 1 2 9.210 16.306 0.000 0.00 1.00 -ATOM 1892 CEG BOT 1 2 9.210 16.306 3.350 0.00 1.00 -ATOM 1893 CEH BOT 1 2 9.210 16.306 6.700 0.00 1.00 -ATOM 1894 CEI BOT 1 2 7.982 18.433 0.000 0.00 1.00 -ATOM 1895 CEJ BOT 1 2 7.982 18.433 3.350 0.00 1.00 -ATOM 1896 CEK BOT 1 2 7.982 18.433 6.700 0.00 1.00 -ATOM 1897 CEL BOT 1 2 6.754 20.560 0.000 0.00 1.00 -ATOM 1898 CEM BOT 1 2 6.754 20.560 3.350 0.00 1.00 -ATOM 1899 CEN BOT 1 2 6.754 20.560 6.700 0.00 1.00 -ATOM 1900 CEO BOT 1 2 5.526 22.687 0.000 0.00 1.00 -ATOM 1901 CEP BOT 1 2 5.526 22.687 3.350 0.00 1.00 -ATOM 1902 CEQ BOT 1 2 5.526 22.687 6.700 0.00 1.00 -ATOM 1903 CER BOT 1 2 4.298 24.814 0.000 0.00 1.00 -ATOM 1904 CES BOT 1 2 4.298 24.814 3.350 0.00 1.00 -ATOM 1905 CET BOT 1 2 4.298 24.814 6.700 0.00 1.00 -ATOM 1906 CEU BOT 1 2 3.070 26.941 0.000 0.00 1.00 -ATOM 1907 CEV BOT 1 2 3.070 26.941 3.350 0.00 1.00 -ATOM 1908 CEW BOT 1 2 3.070 26.941 6.700 0.00 1.00 -ATOM 1909 CEX BOT 1 2 1.842 29.068 0.000 0.00 1.00 -ATOM 1910 CEY BOT 1 2 1.842 29.068 3.350 0.00 1.00 -ATOM 1911 CEZ BOT 1 2 1.842 29.068 6.700 0.00 1.00 -ATOM 1912 CEa BOT 1 2 0.614 1.418 0.000 0.00 1.00 -ATOM 1913 CEb BOT 1 2 0.614 1.418 3.350 0.00 1.00 -ATOM 1914 CEc BOT 1 2 0.614 1.418 6.700 0.00 1.00 -ATOM 1915 CEd BOT 1 2 28.858 3.545 0.000 0.00 1.00 -ATOM 1916 CEe BOT 1 2 28.858 3.545 3.350 0.00 1.00 -ATOM 1917 CEf BOT 1 2 28.858 3.545 6.700 0.00 1.00 -ATOM 1918 CEg BOT 1 2 27.630 5.672 0.000 0.00 1.00 -ATOM 1919 CEh BOT 1 2 27.630 5.672 3.350 0.00 1.00 -ATOM 1920 CEi BOT 1 2 27.630 5.672 6.700 0.00 1.00 -ATOM 1921 CEj BOT 1 2 26.402 7.799 0.000 0.00 1.00 -ATOM 1922 CEk BOT 1 2 26.402 7.799 3.350 0.00 1.00 -ATOM 1923 CEl BOT 1 2 26.402 7.799 6.700 0.00 1.00 -ATOM 1924 CEm BOT 1 2 25.174 9.926 0.000 0.00 1.00 -ATOM 1925 CEn BOT 1 2 25.174 9.926 3.350 0.00 1.00 -ATOM 1926 CEo BOT 1 2 25.174 9.926 6.700 0.00 1.00 -ATOM 1927 CEp BOT 1 2 23.946 12.053 0.000 0.00 1.00 -ATOM 1928 CEq BOT 1 2 23.946 12.053 3.350 0.00 1.00 -ATOM 1929 CEr BOT 1 2 23.946 12.053 6.700 0.00 1.00 -ATOM 1930 CEs BOT 1 2 22.718 14.180 0.000 0.00 1.00 -ATOM 1931 CEt BOT 1 2 22.718 14.180 3.350 0.00 1.00 -ATOM 1932 CEu BOT 1 2 22.718 14.180 6.700 0.00 1.00 -ATOM 1933 CEv BOT 1 2 11.666 16.306 0.000 0.00 1.00 -ATOM 1934 CEw BOT 1 2 11.666 16.306 3.350 0.00 1.00 -ATOM 1935 CEx BOT 1 2 11.666 16.306 6.700 0.00 1.00 -ATOM 1936 CEy BOT 1 2 10.438 18.433 0.000 0.00 1.00 -ATOM 1937 CEz BOT 1 2 10.438 18.433 3.350 0.00 1.00 -ATOM 1938 CF0 BOT 1 2 10.438 18.433 6.700 0.00 1.00 -ATOM 1939 CF1 BOT 1 2 9.210 20.560 0.000 0.00 1.00 -ATOM 1940 CF2 BOT 1 2 9.210 20.560 3.350 0.00 1.00 -ATOM 1941 CF3 BOT 1 2 9.210 20.560 6.700 0.00 1.00 -ATOM 1942 CF4 BOT 1 2 7.982 22.687 0.000 0.00 1.00 -ATOM 1943 CF5 BOT 1 2 7.982 22.687 3.350 0.00 1.00 -ATOM 1944 CF6 BOT 1 2 7.982 22.687 6.700 0.00 1.00 -ATOM 1945 CF7 BOT 1 2 6.754 24.814 0.000 0.00 1.00 -ATOM 1946 CF8 BOT 1 2 6.754 24.814 3.350 0.00 1.00 -ATOM 1947 CF9 BOT 1 2 6.754 24.814 6.700 0.00 1.00 -ATOM 1948 CFA BOT 1 2 5.526 26.941 0.000 0.00 1.00 -ATOM 1949 CFB BOT 1 2 5.526 26.941 3.350 0.00 1.00 -ATOM 1950 CFC BOT 1 2 5.526 26.941 6.700 0.00 1.00 -ATOM 1951 CFD BOT 1 2 4.298 29.068 0.000 0.00 1.00 -ATOM 1952 CFE BOT 1 2 4.298 29.068 3.350 0.00 1.00 -ATOM 1953 CFF BOT 1 2 4.298 29.068 6.700 0.00 1.00 -ATOM 1954 CFG BOT 1 2 3.070 1.418 0.000 0.00 1.00 -ATOM 1955 CFH BOT 1 2 3.070 1.418 3.350 0.00 1.00 -ATOM 1956 CFI BOT 1 2 3.070 1.418 6.700 0.00 1.00 -ATOM 1957 CFJ BOT 1 2 1.842 3.545 0.000 0.00 1.00 -ATOM 1958 CFK BOT 1 2 1.842 3.545 3.350 0.00 1.00 -ATOM 1959 CFL BOT 1 2 1.842 3.545 6.700 0.00 1.00 -ATOM 1960 CFM BOT 1 2 0.614 5.672 0.000 0.00 1.00 -ATOM 1961 CFN BOT 1 2 0.614 5.672 3.350 0.00 1.00 -ATOM 1962 CFO BOT 1 2 0.614 5.672 6.700 0.00 1.00 -ATOM 1963 CFP BOT 1 2 28.858 7.799 0.000 0.00 1.00 -ATOM 1964 CFQ BOT 1 2 28.858 7.799 3.350 0.00 1.00 -ATOM 1965 CFR BOT 1 2 28.858 7.799 6.700 0.00 1.00 -ATOM 1966 CFS BOT 1 2 27.630 9.926 0.000 0.00 1.00 -ATOM 1967 CFT BOT 1 2 27.630 9.926 3.350 0.00 1.00 -ATOM 1968 CFU BOT 1 2 27.630 9.926 6.700 0.00 1.00 -ATOM 1969 CFV BOT 1 2 26.402 12.053 0.000 0.00 1.00 -ATOM 1970 CFW BOT 1 2 26.402 12.053 3.350 0.00 1.00 -ATOM 1971 CFX BOT 1 2 26.402 12.053 6.700 0.00 1.00 -ATOM 1972 CFY BOT 1 2 25.174 14.180 0.000 0.00 1.00 -ATOM 1973 CFZ BOT 1 2 25.174 14.180 3.350 0.00 1.00 -ATOM 1974 CFa BOT 1 2 25.174 14.180 6.700 0.00 1.00 -ATOM 1975 CFb BOT 1 2 14.122 16.306 0.000 0.00 1.00 -ATOM 1976 CFc BOT 1 2 14.122 16.306 3.350 0.00 1.00 -ATOM 1977 CFd BOT 1 2 14.122 16.306 6.700 0.00 1.00 -ATOM 1978 CFe BOT 1 2 12.894 18.433 0.000 0.00 1.00 -ATOM 1979 CFf BOT 1 2 12.894 18.433 3.350 0.00 1.00 -ATOM 1980 CFg BOT 1 2 12.894 18.433 6.700 0.00 1.00 -ATOM 1981 CFh BOT 1 2 11.666 20.560 0.000 0.00 1.00 -ATOM 1982 CFi BOT 1 2 11.666 20.560 3.350 0.00 1.00 -ATOM 1983 CFj BOT 1 2 11.666 20.560 6.700 0.00 1.00 -ATOM 1984 CFk BOT 1 2 10.438 22.687 0.000 0.00 1.00 -ATOM 1985 CFl BOT 1 2 10.438 22.687 3.350 0.00 1.00 -ATOM 1986 CFm BOT 1 2 10.438 22.687 6.700 0.00 1.00 -ATOM 1987 CFn BOT 1 2 9.210 24.814 0.000 0.00 1.00 -ATOM 1988 CFo BOT 1 2 9.210 24.814 3.350 0.00 1.00 -ATOM 1989 CFp BOT 1 2 9.210 24.814 6.700 0.00 1.00 -ATOM 1990 CFq BOT 1 2 7.982 26.941 0.000 0.00 1.00 -ATOM 1991 CFr BOT 1 2 7.982 26.941 3.350 0.00 1.00 -ATOM 1992 CFs BOT 1 2 7.982 26.941 6.700 0.00 1.00 -ATOM 1993 CFt BOT 1 2 6.754 29.068 0.000 0.00 1.00 -ATOM 1994 CFu BOT 1 2 6.754 29.068 3.350 0.00 1.00 -ATOM 1995 CFv BOT 1 2 6.754 29.068 6.700 0.00 1.00 -ATOM 1996 CFw BOT 1 2 5.526 1.418 0.000 0.00 1.00 -ATOM 1997 CFx BOT 1 2 5.526 1.418 3.350 0.00 1.00 -ATOM 1998 CFy BOT 1 2 5.526 1.418 6.700 0.00 1.00 -ATOM 1999 CFz BOT 1 2 4.298 3.545 0.000 0.00 1.00 -ATOM 2000 CG0 BOT 1 2 4.298 3.545 3.350 0.00 1.00 -ATOM 2001 CG1 BOT 1 2 4.298 3.545 6.700 0.00 1.00 -ATOM 2002 CG2 BOT 1 2 3.070 5.672 0.000 0.00 1.00 -ATOM 2003 CG3 BOT 1 2 3.070 5.672 3.350 0.00 1.00 -ATOM 2004 CG4 BOT 1 2 3.070 5.672 6.700 0.00 1.00 -ATOM 2005 CG5 BOT 1 2 1.842 7.799 0.000 0.00 1.00 -ATOM 2006 CG6 BOT 1 2 1.842 7.799 3.350 0.00 1.00 -ATOM 2007 CG7 BOT 1 2 1.842 7.799 6.700 0.00 1.00 -ATOM 2008 CG8 BOT 1 2 0.614 9.926 0.000 0.00 1.00 -ATOM 2009 CG9 BOT 1 2 0.614 9.926 3.350 0.00 1.00 -ATOM 2010 CGA BOT 1 2 0.614 9.926 6.700 0.00 1.00 -ATOM 2011 CGB BOT 1 2 28.858 12.053 0.000 0.00 1.00 -ATOM 2012 CGC BOT 1 2 28.858 12.053 3.350 0.00 1.00 -ATOM 2013 CGD BOT 1 2 28.858 12.053 6.700 0.00 1.00 -ATOM 2014 CGE BOT 1 2 27.630 14.180 0.000 0.00 1.00 -ATOM 2015 CGF BOT 1 2 27.630 14.180 3.350 0.00 1.00 -ATOM 2016 CGG BOT 1 2 27.630 14.180 6.700 0.00 1.00 -ATOM 2017 O1 H2O 1 3 22.844 10.565 23.681 0.00 0.00 -ATOM 2018 H1 H2O 1 3 23.535 11.277 23.813 0.00 0.00 -ATOM 2019 H2 H2O 1 3 22.235 10.542 24.474 0.00 0.00 -ATOM 2020 O1 H2O 2 4 27.001 27.681 19.735 0.00 0.00 -ATOM 2021 H1 H2O 2 4 26.612 28.600 19.663 0.00 0.00 -ATOM 2022 H2 H2O 2 4 26.782 27.296 20.631 0.00 0.00 -ATOM 2023 O1 H2O 3 5 10.875 17.926 22.612 0.00 0.00 -ATOM 2024 H1 H2O 3 5 10.914 18.314 21.691 0.00 0.00 -ATOM 2025 H2 H2O 3 5 9.920 17.802 22.882 0.00 0.00 -ATOM 2026 O1 H2O 4 6 28.964 25.931 23.661 0.00 0.00 -ATOM 2027 H1 H2O 4 6 29.043 26.306 24.585 0.00 0.00 -ATOM 2028 H2 H2O 4 6 29.291 24.986 23.656 0.00 0.00 -ATOM 2029 O1 H2O 5 7 17.298 23.499 19.738 0.00 0.00 -ATOM 2030 H1 H2O 5 7 17.774 22.635 19.902 0.00 0.00 -ATOM 2031 H2 H2O 5 7 17.384 23.749 18.774 0.00 0.00 -ATOM 2032 O1 H2O 6 8 14.102 14.036 20.700 0.00 0.00 -ATOM 2033 H1 H2O 6 8 14.412 14.041 21.650 0.00 0.00 -ATOM 2034 H2 H2O 6 8 13.237 14.533 20.629 0.00 0.00 -ATOM 2035 O1 H2O 7 9 25.368 5.663 22.832 0.00 0.00 -ATOM 2036 H1 H2O 7 9 25.949 6.456 23.012 0.00 0.00 -ATOM 2037 H2 H2O 7 9 24.470 5.805 23.250 0.00 0.00 -ATOM 2038 O1 H2O 8 10 22.292 22.344 23.245 0.00 0.00 -ATOM 2039 H1 H2O 8 10 23.259 22.142 23.400 0.00 0.00 -ATOM 2040 H2 H2O 8 10 21.848 21.551 22.829 0.00 0.00 -ATOM 2041 O1 H2O 9 11 27.784 10.126 23.155 0.00 0.00 -ATOM 2042 H1 H2O 9 11 26.853 9.916 23.453 0.00 0.00 -ATOM 2043 H2 H2O 9 11 27.958 11.105 23.268 0.00 0.00 -ATOM 2044 O1 H2O 0 12 11.136 20.427 23.598 0.00 0.00 -ATOM 2045 H1 H2O 0 12 10.643 21.181 23.164 0.00 0.00 -ATOM 2046 H2 H2O 0 12 10.582 19.596 23.549 0.00 0.00 -ATOM 2047 O1 H2O 1 13 13.634 28.414 21.171 0.00 0.00 -ATOM 2048 H1 H2O 1 13 12.847 28.927 20.830 0.00 0.00 -ATOM 2049 H2 H2O 1 13 14.478 28.872 20.892 0.00 0.00 -ATOM 2050 O1 H2O 2 14 9.972 2.204 23.486 0.00 0.00 -ATOM 2051 H1 H2O 2 14 10.814 2.502 23.038 0.00 0.00 -ATOM 2052 H2 H2O 2 14 9.315 2.957 23.496 0.00 0.00 -ATOM 2053 O1 H2O 3 15 0.110 20.336 20.042 0.00 0.00 -ATOM 2054 H1 H2O 3 15 1.075 20.503 19.837 0.00 0.00 -ATOM 2055 H2 H2O 3 15 -0.067 19.352 20.033 0.00 0.00 -ATOM 2056 O1 H2O 4 16 27.363 7.279 23.651 0.00 0.00 -ATOM 2057 H1 H2O 4 16 28.230 7.734 23.852 0.00 0.00 -ATOM 2058 H2 H2O 4 16 26.610 7.813 24.035 0.00 0.00 -ATOM 2059 O1 H2O 5 17 18.471 25.730 23.008 0.00 0.00 -ATOM 2060 H1 H2O 5 17 19.374 25.309 23.094 0.00 0.00 -ATOM 2061 H2 H2O 5 17 17.765 25.038 23.160 0.00 0.00 -ATOM 2062 O1 H2O 6 18 0.610 7.901 20.792 0.00 0.00 -ATOM 2063 H1 H2O 6 18 1.141 8.284 21.549 0.00 0.00 -ATOM 2064 H2 H2O 6 18 -0.165 8.500 20.593 0.00 0.00 -ATOM 2065 O1 H2O 7 19 13.583 17.409 23.535 0.00 0.00 -ATOM 2066 H1 H2O 7 19 13.949 18.330 23.671 0.00 0.00 -ATOM 2067 H2 H2O 7 19 12.628 17.470 23.244 0.00 0.00 -ATOM 2068 O1 H2O 8 20 28.300 2.011 23.880 0.00 0.00 -ATOM 2069 H1 H2O 8 20 27.896 1.750 24.757 0.00 0.00 -ATOM 2070 H2 H2O 8 20 28.127 2.981 23.710 0.00 0.00 -ATOM 2071 O1 H2O 9 21 18.749 3.756 22.935 0.00 0.00 -ATOM 2072 H1 H2O 9 21 19.726 3.953 22.857 0.00 0.00 -ATOM 2073 H2 H2O 9 21 18.613 2.769 23.016 0.00 0.00 -ATOM 2074 O1 H2O 0 22 24.040 22.392 20.005 0.00 0.00 -ATOM 2075 H1 H2O 0 22 23.046 22.462 19.922 0.00 0.00 -ATOM 2076 H2 H2O 0 22 24.451 23.290 19.849 0.00 0.00 -ATOM 2077 O1 H2O 1 23 28.247 15.774 23.447 0.00 0.00 -ATOM 2078 H1 H2O 1 23 28.960 16.463 23.313 0.00 0.00 -ATOM 2079 H2 H2O 1 23 27.355 16.223 23.494 0.00 0.00 -ATOM 2080 O1 H2O 2 24 2.646 10.666 23.639 0.00 0.00 -ATOM 2081 H1 H2O 2 24 2.097 11.244 23.035 0.00 0.00 -ATOM 2082 H2 H2O 2 24 2.557 10.988 24.581 0.00 0.00 -ATOM 2083 O1 H2O 3 25 12.601 2.916 22.481 0.00 0.00 -ATOM 2084 H1 H2O 3 25 13.247 3.601 22.816 0.00 0.00 -ATOM 2085 H2 H2O 3 25 12.838 2.664 21.543 0.00 0.00 -ATOM 2086 O1 H2O 4 26 27.295 24.762 19.799 0.00 0.00 -ATOM 2087 H1 H2O 4 26 26.300 24.659 19.809 0.00 0.00 -ATOM 2088 H2 H2O 4 26 27.530 25.721 19.641 0.00 0.00 -ATOM 2089 O1 H2O 5 27 7.673 1.825 21.241 0.00 0.00 -ATOM 2090 H1 H2O 5 27 8.618 2.097 21.059 0.00 0.00 -ATOM 2091 H2 H2O 5 27 7.617 1.398 22.144 0.00 0.00 -ATOM 2092 O1 H2O 6 28 3.276 3.723 19.794 0.00 0.00 -ATOM 2093 H1 H2O 6 28 2.955 3.780 18.849 0.00 0.00 -ATOM 2094 H2 H2O 6 28 3.943 2.983 19.876 0.00 0.00 -ATOM 2095 O1 H2O 7 29 19.936 18.551 20.189 0.00 0.00 -ATOM 2096 H1 H2O 7 29 20.550 18.979 19.525 0.00 0.00 -ATOM 2097 H2 H2O 7 29 19.011 18.912 20.069 0.00 0.00 -ATOM 2098 O1 H2O 8 30 15.369 0.425 20.544 0.00 0.00 -ATOM 2099 H1 H2O 8 30 14.537 0.701 20.063 0.00 0.00 -ATOM 2100 H2 H2O 8 30 15.615 1.126 21.214 0.00 0.00 -ATOM 2101 O1 H2O 9 31 3.864 8.315 19.817 0.00 0.00 -ATOM 2102 H1 H2O 9 31 4.254 7.481 19.426 0.00 0.00 -ATOM 2103 H2 H2O 9 31 3.438 8.103 20.696 0.00 0.00 -ATOM 2104 O1 H2O 0 32 29.409 17.519 19.838 0.00 0.00 -ATOM 2105 H1 H2O 0 32 28.449 17.749 19.995 0.00 0.00 -ATOM 2106 H2 H2O 0 32 29.503 16.529 19.732 0.00 0.00 -ATOM 2107 O1 H2O 1 33 18.536 5.562 19.748 0.00 0.00 -ATOM 2108 H1 H2O 1 33 18.081 4.676 19.660 0.00 0.00 -ATOM 2109 H2 H2O 1 33 17.865 6.295 19.636 0.00 0.00 -ATOM 2110 O1 H2O 2 34 26.230 0.485 19.714 0.00 0.00 -ATOM 2111 H1 H2O 2 34 25.660 1.286 19.532 0.00 0.00 -ATOM 2112 H2 H2O 2 34 27.148 0.782 19.975 0.00 0.00 -ATOM 2113 O1 H2O 3 35 21.518 8.479 22.722 0.00 0.00 -ATOM 2114 H1 H2O 3 35 22.085 9.278 22.921 0.00 0.00 -ATOM 2115 H2 H2O 3 35 21.964 7.657 23.076 0.00 0.00 -ATOM 2116 O1 H2O 4 36 12.705 14.850 23.350 0.00 0.00 -ATOM 2117 H1 H2O 4 36 13.161 15.709 23.583 0.00 0.00 -ATOM 2118 H2 H2O 4 36 13.375 14.108 23.339 0.00 0.00 -ATOM 2119 O1 H2O 5 37 21.751 4.484 20.326 0.00 0.00 -ATOM 2120 H1 H2O 5 37 22.209 3.823 19.732 0.00 0.00 -ATOM 2121 H2 H2O 5 37 20.865 4.728 19.931 0.00 0.00 -ATOM 2122 O1 H2O 6 38 16.293 15.752 22.417 0.00 0.00 -ATOM 2123 H1 H2O 6 38 15.879 16.232 23.191 0.00 0.00 -ATOM 2124 H2 H2O 6 38 16.003 16.185 21.564 0.00 0.00 -ATOM 2125 O1 H2O 7 39 9.395 24.951 21.365 0.00 0.00 -ATOM 2126 H1 H2O 7 39 9.172 24.338 20.607 0.00 0.00 -ATOM 2127 H2 H2O 7 39 8.735 25.702 21.393 0.00 0.00 -ATOM 2128 O1 H2O 8 40 8.869 7.733 20.338 0.00 0.00 -ATOM 2129 H1 H2O 8 40 9.837 7.971 20.252 0.00 0.00 -ATOM 2130 H2 H2O 8 40 8.661 6.959 19.740 0.00 0.00 -ATOM 2131 O1 H2O 9 41 27.817 12.732 23.199 0.00 0.00 -ATOM 2132 H1 H2O 9 41 28.577 13.296 23.524 0.00 0.00 -ATOM 2133 H2 H2O 9 41 27.360 13.195 22.439 0.00 0.00 -ATOM 2134 O1 H2O 0 42 24.082 0.526 22.518 0.00 0.00 -ATOM 2135 H1 H2O 0 42 24.749 -0.186 22.301 0.00 0.00 -ATOM 2136 H2 H2O 0 42 24.556 1.327 22.884 0.00 0.00 -ATOM 2137 O1 H2O 1 43 19.007 22.366 23.063 0.00 0.00 -ATOM 2138 H1 H2O 1 43 19.753 23.007 23.245 0.00 0.00 -ATOM 2139 H2 H2O 1 43 19.122 21.551 23.631 0.00 0.00 -ATOM 2140 O1 H2O 2 44 28.677 5.785 19.628 0.00 0.00 -ATOM 2141 H1 H2O 2 44 29.075 6.608 20.035 0.00 0.00 -ATOM 2142 H2 H2O 2 44 27.710 5.945 19.431 0.00 0.00 -ATOM 2143 O1 H2O 3 45 4.464 19.058 23.298 0.00 0.00 -ATOM 2144 H1 H2O 3 45 3.680 19.495 22.857 0.00 0.00 -ATOM 2145 H2 H2O 3 45 4.286 18.079 23.400 0.00 0.00 -ATOM 2146 O1 H2O 4 46 20.254 27.596 19.851 0.00 0.00 -ATOM 2147 H1 H2O 4 46 20.780 28.038 19.124 0.00 0.00 -ATOM 2148 H2 H2O 4 46 19.321 27.955 19.853 0.00 0.00 -ATOM 2149 O1 H2O 5 47 29.119 20.571 22.887 0.00 0.00 -ATOM 2150 H1 H2O 5 47 28.919 20.669 21.912 0.00 0.00 -ATOM 2151 H2 H2O 5 47 28.285 20.313 23.374 0.00 0.00 -ATOM 2152 O1 H2O 6 48 5.518 7.240 22.869 0.00 0.00 -ATOM 2153 H1 H2O 6 48 5.893 7.987 22.321 0.00 0.00 -ATOM 2154 H2 H2O 6 48 6.206 6.930 23.525 0.00 0.00 -ATOM 2155 O1 H2O 7 49 24.995 19.698 19.745 0.00 0.00 -ATOM 2156 H1 H2O 7 49 24.339 19.185 20.299 0.00 0.00 -ATOM 2157 H2 H2O 7 49 24.715 20.657 19.701 0.00 0.00 -ATOM 2158 O1 H2O 8 50 12.506 26.894 23.088 0.00 0.00 -ATOM 2159 H1 H2O 8 50 12.933 27.001 22.190 0.00 0.00 -ATOM 2160 H2 H2O 8 50 12.223 27.790 23.432 0.00 0.00 -ATOM 2161 O1 H2O 9 51 13.650 7.150 22.654 0.00 0.00 -ATOM 2162 H1 H2O 9 51 13.699 7.805 21.900 0.00 0.00 -ATOM 2163 H2 H2O 9 51 12.735 7.174 23.057 0.00 0.00 -ATOM 2164 O1 H2O 0 52 26.581 19.620 23.742 0.00 0.00 -ATOM 2165 H1 H2O 0 52 25.870 20.206 23.352 0.00 0.00 -ATOM 2166 H2 H2O 0 52 26.796 19.929 24.669 0.00 0.00 -ATOM 2167 O1 H2O 1 53 18.597 19.749 23.661 0.00 0.00 -ATOM 2168 H1 H2O 1 53 19.314 19.060 23.560 0.00 0.00 -ATOM 2169 H2 H2O 1 53 17.769 19.439 23.194 0.00 0.00 -ATOM 2170 O1 H2O 2 54 0.409 8.796 23.781 0.00 0.00 -ATOM 2171 H1 H2O 2 54 1.186 9.403 23.951 0.00 0.00 -ATOM 2172 H2 H2O 2 54 -0.365 9.332 23.445 0.00 0.00 -ATOM 2173 O1 H2O 3 55 11.272 10.488 23.362 0.00 0.00 -ATOM 2174 H1 H2O 3 55 11.587 10.462 22.413 0.00 0.00 -ATOM 2175 H2 H2O 3 55 12.062 10.525 23.974 0.00 0.00 -ATOM 2176 O1 H2O 4 56 2.148 0.617 20.218 0.00 0.00 -ATOM 2177 H1 H2O 4 56 1.982 1.147 21.050 0.00 0.00 -ATOM 2178 H2 H2O 4 56 3.124 0.636 20.000 0.00 0.00 -ATOM 2179 O1 H2O 5 57 14.572 23.512 20.909 0.00 0.00 -ATOM 2180 H1 H2O 5 57 15.564 23.481 20.781 0.00 0.00 -ATOM 2181 H2 H2O 5 57 14.217 24.376 20.553 0.00 0.00 -ATOM 2182 O1 H2O 6 58 16.397 23.850 23.178 0.00 0.00 -ATOM 2183 H1 H2O 6 58 16.982 23.080 23.433 0.00 0.00 -ATOM 2184 H2 H2O 6 58 15.448 23.637 23.409 0.00 0.00 -ATOM 2185 O1 H2O 7 59 26.893 18.031 20.052 0.00 0.00 -ATOM 2186 H1 H2O 7 59 26.492 17.454 20.763 0.00 0.00 -ATOM 2187 H2 H2O 7 59 26.186 18.626 19.668 0.00 0.00 -ATOM 2188 O1 H2O 8 60 21.079 10.789 19.826 0.00 0.00 -ATOM 2189 H1 H2O 8 60 21.296 11.297 18.993 0.00 0.00 -ATOM 2190 H2 H2O 8 60 21.381 9.841 19.727 0.00 0.00 -ATOM 2191 O1 H2O 9 61 5.075 1.267 23.446 0.00 0.00 -ATOM 2192 H1 H2O 9 61 5.988 1.007 23.762 0.00 0.00 -ATOM 2193 H2 H2O 9 61 4.471 0.470 23.480 0.00 0.00 -ATOM 2194 O1 H2O 0 62 1.417 14.428 23.608 0.00 0.00 -ATOM 2195 H1 H2O 0 62 1.260 15.361 23.933 0.00 0.00 -ATOM 2196 H2 H2O 0 62 2.399 14.243 23.585 0.00 0.00 -ATOM 2197 O1 H2O 1 63 25.186 9.117 23.420 0.00 0.00 -ATOM 2198 H1 H2O 1 63 24.603 9.785 23.881 0.00 0.00 -ATOM 2199 H2 H2O 1 63 25.075 9.203 22.430 0.00 0.00 -ATOM 2200 O1 H2O 2 64 18.919 21.477 20.465 0.00 0.00 -ATOM 2201 H1 H2O 2 64 19.066 21.655 21.438 0.00 0.00 -ATOM 2202 H2 H2O 2 64 18.206 20.784 20.357 0.00 0.00 -ATOM 2203 O1 H2O 3 65 21.412 22.462 19.833 0.00 0.00 -ATOM 2204 H1 H2O 3 65 21.305 23.437 20.025 0.00 0.00 -ATOM 2205 H2 H2O 3 65 20.533 22.000 19.953 0.00 0.00 -ATOM 2206 O1 H2O 4 66 1.000 17.283 23.150 0.00 0.00 -ATOM 2207 H1 H2O 4 66 1.389 18.023 23.699 0.00 0.00 -ATOM 2208 H2 H2O 4 66 1.642 17.032 22.426 0.00 0.00 -ATOM 2209 O1 H2O 5 67 3.695 28.834 23.780 0.00 0.00 -ATOM 2210 H1 H2O 5 67 4.317 28.126 24.113 0.00 0.00 -ATOM 2211 H2 H2O 5 67 2.815 28.420 23.544 0.00 0.00 -ATOM 2212 O1 H2O 6 68 16.007 29.141 23.878 0.00 0.00 -ATOM 2213 H1 H2O 6 68 15.751 28.179 23.773 0.00 0.00 -ATOM 2214 H2 H2O 6 68 15.205 29.670 24.156 0.00 0.00 -ATOM 2215 O1 H2O 7 69 24.930 8.941 20.509 0.00 0.00 -ATOM 2216 H1 H2O 7 69 24.000 8.667 20.266 0.00 0.00 -ATOM 2217 H2 H2O 7 69 25.026 9.930 20.400 0.00 0.00 -ATOM 2218 O1 H2O 8 70 14.163 10.427 23.761 0.00 0.00 -ATOM 2219 H1 H2O 8 70 14.711 10.180 22.963 0.00 0.00 -ATOM 2220 H2 H2O 8 70 13.956 9.604 24.291 0.00 0.00 -ATOM 2221 O1 H2O 9 71 19.610 10.562 23.112 0.00 0.00 -ATOM 2222 H1 H2O 9 71 19.965 11.494 23.042 0.00 0.00 -ATOM 2223 H2 H2O 9 71 20.268 9.924 22.713 0.00 0.00 -ATOM 2224 O1 H2O 0 72 2.560 18.225 19.825 0.00 0.00 -ATOM 2225 H1 H2O 0 72 2.779 19.184 20.008 0.00 0.00 -ATOM 2226 H2 H2O 0 72 1.569 18.119 19.744 0.00 0.00 -ATOM 2227 O1 H2O 1 73 11.135 29.377 23.530 0.00 0.00 -ATOM 2228 H1 H2O 1 73 10.821 30.286 23.255 0.00 0.00 -ATOM 2229 H2 H2O 1 73 10.345 28.779 23.667 0.00 0.00 -ATOM 2230 O1 H2O 2 74 23.630 27.827 20.130 0.00 0.00 -ATOM 2231 H1 H2O 2 74 23.660 27.671 21.117 0.00 0.00 -ATOM 2232 H2 H2O 2 74 23.097 28.652 19.938 0.00 0.00 -ATOM 2233 O1 H2O 3 75 20.395 17.704 22.971 0.00 0.00 -ATOM 2234 H1 H2O 3 75 20.440 16.772 23.331 0.00 0.00 -ATOM 2235 H2 H2O 3 75 20.211 17.673 21.988 0.00 0.00 -ATOM 2236 O1 H2O 4 76 23.006 13.117 21.066 0.00 0.00 -ATOM 2237 H1 H2O 4 76 22.332 12.381 21.000 0.00 0.00 -ATOM 2238 H2 H2O 4 76 22.734 13.754 21.787 0.00 0.00 -ATOM 2239 O1 H2O 5 77 9.758 12.404 20.787 0.00 0.00 -ATOM 2240 H1 H2O 5 77 10.167 13.054 21.428 0.00 0.00 -ATOM 2241 H2 H2O 5 77 10.413 11.673 20.591 0.00 0.00 -ATOM 2242 O1 H2O 6 78 27.602 21.885 20.634 0.00 0.00 -ATOM 2243 H1 H2O 6 78 27.642 22.661 20.005 0.00 0.00 -ATOM 2244 H2 H2O 6 78 28.329 21.236 20.411 0.00 0.00 -ATOM 2245 O1 H2O 7 79 8.393 4.645 22.876 0.00 0.00 -ATOM 2246 H1 H2O 7 79 7.541 4.172 23.099 0.00 0.00 -ATOM 2247 H2 H2O 7 79 8.324 5.603 23.154 0.00 0.00 -ATOM 2248 O1 H2O 8 80 6.738 23.472 23.347 0.00 0.00 -ATOM 2249 H1 H2O 8 80 5.744 23.365 23.353 0.00 0.00 -ATOM 2250 H2 H2O 8 80 7.165 22.645 23.711 0.00 0.00 -ATOM 2251 O1 H2O 9 81 27.876 0.100 22.167 0.00 0.00 -ATOM 2252 H1 H2O 9 81 28.170 0.036 21.213 0.00 0.00 -ATOM 2253 H2 H2O 9 81 27.946 1.049 22.474 0.00 0.00 -ATOM 2254 O1 H2O 0 82 23.631 27.339 22.766 0.00 0.00 -ATOM 2255 H1 H2O 0 82 24.158 27.931 23.375 0.00 0.00 -ATOM 2256 H2 H2O 0 82 22.670 27.615 22.781 0.00 0.00 -ATOM 2257 O1 H2O 1 83 17.249 9.078 19.799 0.00 0.00 -ATOM 2258 H1 H2O 1 83 16.686 9.745 20.289 0.00 0.00 -ATOM 2259 H2 H2O 1 83 17.953 8.722 20.413 0.00 0.00 -ATOM 2260 O1 H2O 2 84 0.484 23.999 20.218 0.00 0.00 -ATOM 2261 H1 H2O 2 84 -0.378 24.397 19.903 0.00 0.00 -ATOM 2262 H2 H2O 2 84 0.318 23.458 21.043 0.00 0.00 -ATOM 2263 O1 H2O 3 85 27.960 2.720 20.196 0.00 0.00 -ATOM 2264 H1 H2O 3 85 27.634 3.528 19.704 0.00 0.00 -ATOM 2265 H2 H2O 3 85 28.908 2.863 20.480 0.00 0.00 -ATOM 2266 O1 H2O 4 86 9.995 2.507 19.853 0.00 0.00 -ATOM 2267 H1 H2O 4 86 10.065 3.505 19.843 0.00 0.00 -ATOM 2268 H2 H2O 4 86 9.570 2.194 19.003 0.00 0.00 -ATOM 2269 O1 H2O 5 87 29.119 29.444 19.646 0.00 0.00 -ATOM 2270 H1 H2O 5 87 28.762 28.530 19.455 0.00 0.00 -ATOM 2271 H2 H2O 5 87 30.117 29.431 19.589 0.00 0.00 -ATOM 2272 O1 H2O 6 88 18.915 14.904 22.828 0.00 0.00 -ATOM 2273 H1 H2O 6 88 19.435 15.161 22.014 0.00 0.00 -ATOM 2274 H2 H2O 6 88 17.974 15.230 22.740 0.00 0.00 -ATOM 2275 O1 H2O 7 89 22.613 15.513 20.019 0.00 0.00 -ATOM 2276 H1 H2O 7 89 21.701 15.607 19.619 0.00 0.00 -ATOM 2277 H2 H2O 7 89 22.792 14.550 20.219 0.00 0.00 -ATOM 2278 O1 H2O 8 90 6.746 12.612 20.532 0.00 0.00 -ATOM 2279 H1 H2O 8 90 6.175 11.880 20.162 0.00 0.00 -ATOM 2280 H2 H2O 8 90 7.707 12.338 20.492 0.00 0.00 -ATOM 2281 O1 H2O 9 91 7.455 20.350 20.443 0.00 0.00 -ATOM 2282 H1 H2O 9 91 7.779 19.455 20.139 0.00 0.00 -ATOM 2283 H2 H2O 9 91 6.539 20.258 20.834 0.00 0.00 -ATOM 2284 O1 H2O 0 92 0.302 14.716 19.736 0.00 0.00 -ATOM 2285 H1 H2O 0 92 -0.394 14.740 20.454 0.00 0.00 -ATOM 2286 H2 H2O 0 92 0.410 13.777 19.408 0.00 0.00 -ATOM 2287 O1 H2O 1 93 7.858 22.796 19.703 0.00 0.00 -ATOM 2288 H1 H2O 1 93 7.501 21.904 19.978 0.00 0.00 -ATOM 2289 H2 H2O 1 93 7.999 22.808 18.713 0.00 0.00 -ATOM 2290 O1 H2O 2 94 25.082 11.480 20.383 0.00 0.00 -ATOM 2291 H1 H2O 2 94 24.228 12.000 20.390 0.00 0.00 -ATOM 2292 H2 H2O 2 94 25.857 12.111 20.413 0.00 0.00 -ATOM 2293 O1 H2O 3 95 25.116 12.145 23.440 0.00 0.00 -ATOM 2294 H1 H2O 3 95 24.949 12.126 22.454 0.00 0.00 -ATOM 2295 H2 H2O 3 95 26.097 12.238 23.610 0.00 0.00 -ATOM 2296 O1 H2O 4 96 5.380 18.432 20.394 0.00 0.00 -ATOM 2297 H1 H2O 4 96 5.214 18.285 21.369 0.00 0.00 -ATOM 2298 H2 H2O 4 96 4.512 18.398 19.899 0.00 0.00 -ATOM 2299 O1 H2O 5 97 8.423 17.745 19.875 0.00 0.00 -ATOM 2300 H1 H2O 5 97 8.782 16.892 20.254 0.00 0.00 -ATOM 2301 H2 H2O 5 97 7.499 17.591 19.525 0.00 0.00 -ATOM 2302 O1 H2O 6 98 7.461 28.856 20.250 0.00 0.00 -ATOM 2303 H1 H2O 6 98 7.562 29.715 20.752 0.00 0.00 -ATOM 2304 H2 H2O 6 98 6.913 29.012 19.428 0.00 0.00 -ATOM 2305 O1 H2O 7 99 20.882 24.672 22.853 0.00 0.00 -ATOM 2306 H1 H2O 7 99 21.128 24.962 21.928 0.00 0.00 -ATOM 2307 H2 H2O 7 99 21.539 23.991 23.175 0.00 0.00 -ATOM 2308 O1 H2O 8 100 14.736 13.036 23.260 0.00 0.00 -ATOM 2309 H1 H2O 8 100 15.628 13.073 23.710 0.00 0.00 -ATOM 2310 H2 H2O 8 100 14.306 12.152 23.444 0.00 0.00 -ATOM 2311 O1 H2O 9 101 22.684 6.331 23.875 0.00 0.00 -ATOM 2312 H1 H2O 9 101 22.304 5.563 23.359 0.00 0.00 -ATOM 2313 H2 H2O 9 101 22.761 6.079 24.839 0.00 0.00 -ATOM 2314 O1 H2O 0 102 11.701 7.765 20.206 0.00 0.00 -ATOM 2315 H1 H2O 0 102 12.645 8.005 19.980 0.00 0.00 -ATOM 2316 H2 H2O 0 102 11.647 6.789 20.418 0.00 0.00 -ATOM 2317 O1 H2O 1 103 5.156 22.726 20.893 0.00 0.00 -ATOM 2318 H1 H2O 1 103 5.960 23.133 20.458 0.00 0.00 -ATOM 2319 H2 H2O 1 103 4.364 22.828 20.292 0.00 0.00 -ATOM 2320 O1 H2O 2 104 9.144 27.819 23.889 0.00 0.00 -ATOM 2321 H1 H2O 2 104 8.672 27.249 23.217 0.00 0.00 -ATOM 2322 H2 H2O 2 104 9.334 27.278 24.709 0.00 0.00 -ATOM 2323 O1 H2O 3 105 23.390 17.925 21.057 0.00 0.00 -ATOM 2324 H1 H2O 3 105 23.194 17.634 21.993 0.00 0.00 -ATOM 2325 H2 H2O 3 105 23.224 17.164 20.429 0.00 0.00 -ATOM 2326 O1 H2O 4 106 12.934 21.232 20.438 0.00 0.00 -ATOM 2327 H1 H2O 4 106 13.522 22.017 20.637 0.00 0.00 -ATOM 2328 H2 H2O 4 106 13.496 20.410 20.346 0.00 0.00 -ATOM 2329 O1 H2O 5 107 1.210 12.320 21.919 0.00 0.00 -ATOM 2330 H1 H2O 5 107 0.976 13.069 22.539 0.00 0.00 -ATOM 2331 H2 H2O 5 107 0.474 12.196 21.254 0.00 0.00 -ATOM 2332 O1 H2O 6 108 17.538 14.345 20.109 0.00 0.00 -ATOM 2333 H1 H2O 6 108 17.990 13.456 20.038 0.00 0.00 -ATOM 2334 H2 H2O 6 108 16.823 14.301 20.807 0.00 0.00 -ATOM 2335 O1 H2O 7 109 7.496 4.488 20.111 0.00 0.00 -ATOM 2336 H1 H2O 7 109 7.644 4.424 21.098 0.00 0.00 -ATOM 2337 H2 H2O 7 109 7.788 3.637 19.675 0.00 0.00 -ATOM 2338 O1 H2O 8 110 17.409 12.660 23.805 0.00 0.00 -ATOM 2339 H1 H2O 8 110 17.891 13.501 23.562 0.00 0.00 -ATOM 2340 H2 H2O 8 110 17.931 12.165 24.500 0.00 0.00 -ATOM 2341 O1 H2O 9 111 21.727 1.437 23.779 0.00 0.00 -ATOM 2342 H1 H2O 9 111 21.940 1.258 24.740 0.00 0.00 -ATOM 2343 H2 H2O 9 111 22.436 1.034 23.200 0.00 0.00 -ATOM 2344 O1 H2O 0 112 10.317 13.382 23.356 0.00 0.00 -ATOM 2345 H1 H2O 0 112 10.429 12.484 23.781 0.00 0.00 -ATOM 2346 H2 H2O 0 112 11.021 14.004 23.700 0.00 0.00 -ATOM 2347 O1 H2O 1 113 13.999 20.275 23.428 0.00 0.00 -ATOM 2348 H1 H2O 1 113 14.422 20.949 24.033 0.00 0.00 -ATOM 2349 H2 H2O 1 113 13.057 20.110 23.719 0.00 0.00 -ATOM 2350 O1 H2O 2 114 2.839 20.829 20.402 0.00 0.00 -ATOM 2351 H1 H2O 2 114 2.611 20.970 21.365 0.00 0.00 -ATOM 2352 H2 H2O 2 114 3.128 21.697 19.997 0.00 0.00 -ATOM 2353 O1 H2O 3 115 14.300 11.461 20.571 0.00 0.00 -ATOM 2354 H1 H2O 3 115 14.053 12.423 20.448 0.00 0.00 -ATOM 2355 H2 H2O 3 115 15.200 11.401 21.003 0.00 0.00 -ATOM 2356 O1 H2O 4 116 19.497 8.103 20.956 0.00 0.00 -ATOM 2357 H1 H2O 4 116 19.365 7.123 20.812 0.00 0.00 -ATOM 2358 H2 H2O 4 116 20.111 8.247 21.732 0.00 0.00 -ATOM 2359 O1 H2O 5 117 2.338 20.774 23.052 0.00 0.00 -ATOM 2360 H1 H2O 5 117 2.845 21.478 23.549 0.00 0.00 -ATOM 2361 H2 H2O 5 117 1.363 20.995 23.063 0.00 0.00 -ATOM 2362 O1 H2O 6 118 11.138 7.289 23.713 0.00 0.00 -ATOM 2363 H1 H2O 6 118 10.273 6.926 23.366 0.00 0.00 -ATOM 2364 H2 H2O 6 118 10.961 8.106 24.261 0.00 0.00 -ATOM 2365 O1 H2O 7 119 16.855 5.837 23.439 0.00 0.00 -ATOM 2366 H1 H2O 7 119 17.180 6.735 23.733 0.00 0.00 -ATOM 2367 H2 H2O 7 119 17.638 5.243 23.253 0.00 0.00 -ATOM 2368 O1 H2O 8 120 8.261 7.378 23.018 0.00 0.00 -ATOM 2369 H1 H2O 8 120 8.278 8.281 23.448 0.00 0.00 -ATOM 2370 H2 H2O 8 120 8.116 7.479 22.034 0.00 0.00 -ATOM 2371 O1 H2O 9 121 5.701 15.104 20.169 0.00 0.00 -ATOM 2372 H1 H2O 9 121 6.030 14.200 20.444 0.00 0.00 -ATOM 2373 H2 H2O 9 121 4.719 15.060 19.987 0.00 0.00 -ATOM 2374 O1 H2O 0 122 18.575 28.268 23.571 0.00 0.00 -ATOM 2375 H1 H2O 0 122 17.681 28.630 23.838 0.00 0.00 -ATOM 2376 H2 H2O 0 122 18.469 27.329 23.243 0.00 0.00 -ATOM 2377 O1 H2O 1 123 20.583 13.040 23.612 0.00 0.00 -ATOM 2378 H1 H2O 1 123 19.886 13.681 23.291 0.00 0.00 -ATOM 2379 H2 H2O 1 123 21.460 13.513 23.690 0.00 0.00 -ATOM 2380 O1 H2O 2 124 13.552 3.148 20.060 0.00 0.00 -ATOM 2381 H1 H2O 2 124 13.261 2.444 19.412 0.00 0.00 -ATOM 2382 H2 H2O 2 124 13.752 3.994 19.566 0.00 0.00 -ATOM 2383 O1 H2O 3 125 21.641 20.082 22.192 0.00 0.00 -ATOM 2384 H1 H2O 3 125 21.242 19.268 22.615 0.00 0.00 -ATOM 2385 H2 H2O 3 125 22.336 19.806 21.529 0.00 0.00 -ATOM 2386 O1 H2O 4 126 26.021 17.044 22.861 0.00 0.00 -ATOM 2387 H1 H2O 4 126 26.306 17.952 23.169 0.00 0.00 -ATOM 2388 H2 H2O 4 126 25.023 17.006 22.814 0.00 0.00 -ATOM 2389 O1 H2O 5 127 16.902 25.946 20.727 0.00 0.00 -ATOM 2390 H1 H2O 5 127 17.534 26.102 21.486 0.00 0.00 -ATOM 2391 H2 H2O 5 127 17.168 25.115 20.238 0.00 0.00 -ATOM 2392 O1 H2O 6 128 5.041 10.856 19.822 0.00 0.00 -ATOM 2393 H1 H2O 6 128 4.753 9.927 19.590 0.00 0.00 -ATOM 2394 H2 H2O 6 128 4.244 11.392 20.101 0.00 0.00 -ATOM 2395 O1 H2O 7 129 13.561 0.727 23.658 0.00 0.00 -ATOM 2396 H1 H2O 7 129 12.847 0.036 23.545 0.00 0.00 -ATOM 2397 H2 H2O 7 129 13.264 1.584 23.236 0.00 0.00 -ATOM 2398 O1 H2O 8 130 6.617 9.304 21.332 0.00 0.00 -ATOM 2399 H1 H2O 8 130 6.131 10.143 21.089 0.00 0.00 -ATOM 2400 H2 H2O 8 130 6.667 8.704 20.533 0.00 0.00 -ATOM 2401 O1 H2O 9 131 13.718 23.598 23.606 0.00 0.00 -ATOM 2402 H1 H2O 9 131 13.598 23.484 22.620 0.00 0.00 -ATOM 2403 H2 H2O 9 131 12.822 23.613 24.052 0.00 0.00 -ATOM 2404 O1 H2O 0 132 25.179 2.769 23.348 0.00 0.00 -ATOM 2405 H1 H2O 0 132 25.075 3.704 23.687 0.00 0.00 -ATOM 2406 H2 H2O 0 132 26.039 2.691 22.843 0.00 0.00 -ATOM 2407 O1 H2O 1 133 1.189 5.920 23.419 0.00 0.00 -ATOM 2408 H1 H2O 1 133 2.020 5.822 22.871 0.00 0.00 -ATOM 2409 H2 H2O 1 133 0.929 6.885 23.460 0.00 0.00 -ATOM 2410 O1 H2O 2 134 8.453 10.108 23.432 0.00 0.00 -ATOM 2411 H1 H2O 2 134 9.433 9.933 23.338 0.00 0.00 -ATOM 2412 H2 H2O 2 134 8.072 10.357 22.541 0.00 0.00 -ATOM 2413 O1 H2O 3 135 3.754 23.163 23.971 0.00 0.00 -ATOM 2414 H1 H2O 3 135 3.690 23.933 23.337 0.00 0.00 -ATOM 2415 H2 H2O 3 135 3.617 23.489 24.907 0.00 0.00 -ATOM 2416 O1 H2O 4 136 17.591 28.532 20.091 0.00 0.00 -ATOM 2417 H1 H2O 4 136 17.193 27.643 20.318 0.00 0.00 -ATOM 2418 H2 H2O 4 136 16.916 29.251 20.255 0.00 0.00 -ATOM 2419 O1 H2O 5 137 25.900 5.665 19.916 0.00 0.00 -ATOM 2420 H1 H2O 5 137 25.121 6.280 19.799 0.00 0.00 -ATOM 2421 H2 H2O 5 137 25.974 5.401 20.878 0.00 0.00 -ATOM 2422 O1 H2O 6 138 0.716 4.000 21.128 0.00 0.00 -ATOM 2423 H1 H2O 6 138 0.250 4.725 20.621 0.00 0.00 -ATOM 2424 H2 H2O 6 138 1.671 3.951 20.837 0.00 0.00 -ATOM 2425 O1 H2O 7 139 11.178 24.472 23.468 0.00 0.00 -ATOM 2426 H1 H2O 7 139 10.436 24.470 22.797 0.00 0.00 -ATOM 2427 H2 H2O 7 139 11.670 25.341 23.417 0.00 0.00 -ATOM 2428 O1 H2O 8 140 2.938 15.529 19.691 0.00 0.00 -ATOM 2429 H1 H2O 8 140 1.955 15.344 19.678 0.00 0.00 -ATOM 2430 H2 H2O 8 140 3.091 16.510 19.806 0.00 0.00 -ATOM 2431 O1 H2O 9 141 24.243 2.373 19.663 0.00 0.00 -ATOM 2432 H1 H2O 9 141 24.185 2.803 20.564 0.00 0.00 -ATOM 2433 H2 H2O 9 141 24.171 3.074 18.954 0.00 0.00 -ATOM 2434 O1 H2O 0 142 0.371 27.564 21.664 0.00 0.00 -ATOM 2435 H1 H2O 0 142 0.023 26.881 22.306 0.00 0.00 -ATOM 2436 H2 H2O 0 142 0.168 28.480 22.009 0.00 0.00 -ATOM 2437 O1 H2O 1 143 14.532 4.690 23.358 0.00 0.00 -ATOM 2438 H1 H2O 1 143 15.513 4.864 23.447 0.00 0.00 -ATOM 2439 H2 H2O 1 143 14.074 5.519 23.037 0.00 0.00 -ATOM 2440 O1 H2O 2 144 8.967 15.002 20.409 0.00 0.00 -ATOM 2441 H1 H2O 2 144 9.194 14.059 20.650 0.00 0.00 -ATOM 2442 H2 H2O 2 144 8.234 15.005 19.728 0.00 0.00 -ATOM 2443 O1 H2O 3 145 14.427 25.767 19.534 0.00 0.00 -ATOM 2444 H1 H2O 3 145 15.153 26.215 20.056 0.00 0.00 -ATOM 2445 H2 H2O 3 145 14.313 26.232 18.655 0.00 0.00 -ATOM 2446 O1 H2O 4 146 16.098 2.386 22.449 0.00 0.00 -ATOM 2447 H1 H2O 4 146 16.572 2.977 21.796 0.00 0.00 -ATOM 2448 H2 H2O 4 146 15.392 2.912 22.923 0.00 0.00 -ATOM 2449 O1 H2O 5 147 18.364 11.668 20.271 0.00 0.00 -ATOM 2450 H1 H2O 5 147 19.263 11.231 20.306 0.00 0.00 -ATOM 2451 H2 H2O 5 147 17.716 11.061 19.810 0.00 0.00 -ATOM 2452 O1 H2O 6 148 4.935 1.922 20.576 0.00 0.00 -ATOM 2453 H1 H2O 6 148 4.942 1.720 21.555 0.00 0.00 -ATOM 2454 H2 H2O 6 148 5.867 1.868 20.217 0.00 0.00 -ATOM 2455 O1 H2O 7 149 3.914 25.095 22.011 0.00 0.00 -ATOM 2456 H1 H2O 7 149 4.202 24.258 21.546 0.00 0.00 -ATOM 2457 H2 H2O 7 149 3.354 25.644 21.391 0.00 0.00 -ATOM 2458 O1 H2O 8 150 3.220 8.384 22.428 0.00 0.00 -ATOM 2459 H1 H2O 8 150 4.122 8.145 22.786 0.00 0.00 -ATOM 2460 H2 H2O 8 150 2.924 9.253 22.824 0.00 0.00 -ATOM 2461 O1 H2O 9 151 4.144 13.904 23.432 0.00 0.00 -ATOM 2462 H1 H2O 9 151 4.535 14.789 23.684 0.00 0.00 -ATOM 2463 H2 H2O 9 151 4.871 13.219 23.389 0.00 0.00 -ATOM 2464 O1 H2O 0 152 6.468 16.081 22.824 0.00 0.00 -ATOM 2465 H1 H2O 0 152 6.043 15.962 21.927 0.00 0.00 -ATOM 2466 H2 H2O 0 152 6.903 15.225 23.103 0.00 0.00 -ATOM 2467 O1 H2O 1 153 27.899 9.602 20.587 0.00 0.00 -ATOM 2468 H1 H2O 1 153 27.043 9.230 20.228 0.00 0.00 -ATOM 2469 H2 H2O 1 153 27.815 9.741 21.574 0.00 0.00 -ATOM 2470 O1 H2O 2 154 28.301 4.463 23.350 0.00 0.00 -ATOM 2471 H1 H2O 2 154 27.793 5.289 23.594 0.00 0.00 -ATOM 2472 H2 H2O 2 154 29.282 4.655 23.376 0.00 0.00 -ATOM 2473 O1 H2O 3 155 5.771 11.360 23.819 0.00 0.00 -ATOM 2474 H1 H2O 3 155 6.405 10.605 23.984 0.00 0.00 -ATOM 2475 H2 H2O 3 155 4.902 11.173 24.277 0.00 0.00 -ATOM 2476 O1 H2O 4 156 3.570 5.524 22.139 0.00 0.00 -ATOM 2477 H1 H2O 4 156 4.149 6.337 22.206 0.00 0.00 -ATOM 2478 H2 H2O 4 156 3.754 5.055 21.275 0.00 0.00 -ATOM 2479 O1 H2O 5 157 8.330 18.143 23.243 0.00 0.00 -ATOM 2480 H1 H2O 5 157 7.878 19.034 23.209 0.00 0.00 -ATOM 2481 H2 H2O 5 157 7.640 17.421 23.298 0.00 0.00 -ATOM 2482 O1 H2O 6 158 11.737 26.066 20.064 0.00 0.00 -ATOM 2483 H1 H2O 6 158 11.227 25.207 20.097 0.00 0.00 -ATOM 2484 H2 H2O 6 158 12.707 25.872 19.921 0.00 0.00 -ATOM 2485 O1 H2O 7 159 22.447 8.298 19.974 0.00 0.00 -ATOM 2486 H1 H2O 7 159 22.500 7.311 19.819 0.00 0.00 -ATOM 2487 H2 H2O 7 159 22.167 8.473 20.918 0.00 0.00 -ATOM 2488 O1 H2O 8 160 23.126 17.190 23.730 0.00 0.00 -ATOM 2489 H1 H2O 8 160 23.497 17.474 24.614 0.00 0.00 -ATOM 2490 H2 H2O 8 160 22.223 17.600 23.601 0.00 0.00 -ATOM 2491 O1 H2O 9 161 2.710 3.583 23.742 0.00 0.00 -ATOM 2492 H1 H2O 9 161 2.790 4.150 22.922 0.00 0.00 -ATOM 2493 H2 H2O 9 161 2.162 4.063 24.427 0.00 0.00 -ATOM 2494 O1 H2O 0 162 2.166 26.329 20.080 0.00 0.00 -ATOM 2495 H1 H2O 0 162 1.600 25.511 19.982 0.00 0.00 -ATOM 2496 H2 H2O 0 162 1.717 26.971 20.702 0.00 0.00 -ATOM 2497 O1 H2O 1 163 9.311 22.077 22.214 0.00 0.00 -ATOM 2498 H1 H2O 1 163 8.746 21.616 21.529 0.00 0.00 -ATOM 2499 H2 H2O 1 163 9.188 23.066 22.136 0.00 0.00 -ATOM 2500 O1 H2O 2 164 26.918 23.840 23.582 0.00 0.00 -ATOM 2501 H1 H2O 2 164 26.261 24.590 23.654 0.00 0.00 -ATOM 2502 H2 H2O 2 164 26.466 23.036 23.195 0.00 0.00 -ATOM 2503 O1 H2O 3 165 7.525 26.733 21.921 0.00 0.00 -ATOM 2504 H1 H2O 3 165 7.382 27.504 21.301 0.00 0.00 -ATOM 2505 H2 H2O 3 165 6.706 26.597 22.478 0.00 0.00 -ATOM 2506 O1 H2O 4 166 10.905 19.562 20.323 0.00 0.00 -ATOM 2507 H1 H2O 4 166 11.453 20.333 20.651 0.00 0.00 -ATOM 2508 H2 H2O 4 166 10.094 19.907 19.851 0.00 0.00 -ATOM 2509 O1 H2O 5 167 21.674 25.328 20.529 0.00 0.00 -ATOM 2510 H1 H2O 5 167 22.345 25.389 19.790 0.00 0.00 -ATOM 2511 H2 H2O 5 167 20.853 25.841 20.279 0.00 0.00 -ATOM 2512 O1 H2O 6 168 14.531 18.966 20.804 0.00 0.00 -ATOM 2513 H1 H2O 6 168 14.340 17.985 20.827 0.00 0.00 -ATOM 2514 H2 H2O 6 168 14.440 19.346 21.725 0.00 0.00 -ATOM 2515 O1 H2O 7 169 29.248 23.241 22.718 0.00 0.00 -ATOM 2516 H1 H2O 7 169 29.340 22.246 22.766 0.00 0.00 -ATOM 2517 H2 H2O 7 169 28.377 23.515 23.124 0.00 0.00 -ATOM 2518 O1 H2O 8 170 2.874 23.348 19.568 0.00 0.00 -ATOM 2519 H1 H2O 8 170 1.929 23.415 19.888 0.00 0.00 -ATOM 2520 H2 H2O 8 170 3.021 23.999 18.822 0.00 0.00 -ATOM 2521 O1 H2O 9 171 11.643 15.409 20.874 0.00 0.00 -ATOM 2522 H1 H2O 9 171 10.653 15.297 20.789 0.00 0.00 -ATOM 2523 H2 H2O 9 171 11.900 15.388 21.840 0.00 0.00 -ATOM 2524 O1 H2O 0 172 19.523 0.890 19.800 0.00 0.00 -ATOM 2525 H1 H2O 0 172 18.859 0.167 19.607 0.00 0.00 -ATOM 2526 H2 H2O 0 172 19.454 1.158 20.761 0.00 0.00 -ATOM 2527 O1 H2O 1 173 24.808 25.231 20.523 0.00 0.00 -ATOM 2528 H1 H2O 1 173 25.155 25.417 21.442 0.00 0.00 -ATOM 2529 H2 H2O 1 173 24.568 26.093 20.076 0.00 0.00 -ATOM 2530 O1 H2O 2 174 24.044 24.668 23.418 0.00 0.00 -ATOM 2531 H1 H2O 2 174 23.531 25.476 23.128 0.00 0.00 -ATOM 2532 H2 H2O 2 174 23.413 23.907 23.565 0.00 0.00 -ATOM 2533 O1 H2O 3 175 17.855 8.413 23.716 0.00 0.00 -ATOM 2534 H1 H2O 3 175 18.489 9.178 23.600 0.00 0.00 -ATOM 2535 H2 H2O 3 175 17.772 8.193 24.688 0.00 0.00 -ATOM 2536 O1 H2O 4 176 17.193 3.070 19.940 0.00 0.00 -ATOM 2537 H1 H2O 4 176 16.472 3.009 19.249 0.00 0.00 -ATOM 2538 H2 H2O 4 176 18.029 2.651 19.587 0.00 0.00 -ATOM 2539 O1 H2O 5 177 3.320 12.895 20.179 0.00 0.00 -ATOM 2540 H1 H2O 5 177 2.513 12.427 20.539 0.00 0.00 -ATOM 2541 H2 H2O 5 177 3.159 13.882 20.176 0.00 0.00 -ATOM 2542 O1 H2O 6 178 10.677 4.993 21.130 0.00 0.00 -ATOM 2543 H1 H2O 6 178 11.439 4.364 21.280 0.00 0.00 -ATOM 2544 H2 H2O 6 178 9.930 4.768 21.755 0.00 0.00 -ATOM 2545 O1 H2O 7 179 26.631 26.323 22.268 0.00 0.00 -ATOM 2546 H1 H2O 7 179 26.288 27.088 22.813 0.00 0.00 -ATOM 2547 H2 H2O 7 179 27.497 26.002 22.652 0.00 0.00 -ATOM 2548 O1 H2O 8 180 15.320 26.599 23.437 0.00 0.00 -ATOM 2549 H1 H2O 8 180 14.340 26.717 23.273 0.00 0.00 -ATOM 2550 H2 H2O 8 180 15.540 25.624 23.455 0.00 0.00 -ATOM 2551 O1 H2O 9 181 19.213 1.145 22.647 0.00 0.00 -ATOM 2552 H1 H2O 9 181 18.904 0.220 22.867 0.00 0.00 -ATOM 2553 H2 H2O 9 181 20.172 1.247 22.911 0.00 0.00 -ATOM 2554 O1 H2O 0 182 1.548 1.457 22.546 0.00 0.00 -ATOM 2555 H1 H2O 0 182 2.112 2.172 22.960 0.00 0.00 -ATOM 2556 H2 H2O 0 182 0.776 1.252 23.147 0.00 0.00 -ATOM 2557 O1 H2O 1 183 5.084 5.711 19.645 0.00 0.00 -ATOM 2558 H1 H2O 1 183 4.605 4.850 19.474 0.00 0.00 -ATOM 2559 H2 H2O 1 183 6.026 5.519 19.923 0.00 0.00 -ATOM 2560 O1 H2O 2 184 21.040 27.972 22.512 0.00 0.00 -ATOM 2561 H1 H2O 2 184 20.202 28.097 23.043 0.00 0.00 -ATOM 2562 H2 H2O 2 184 20.837 28.073 21.539 0.00 0.00 -ATOM 2563 O1 H2O 3 185 5.768 3.958 23.240 0.00 0.00 -ATOM 2564 H1 H2O 3 185 5.250 3.114 23.377 0.00 0.00 -ATOM 2565 H2 H2O 3 185 5.141 4.736 23.227 0.00 0.00 -ATOM 2566 O1 H2O 4 186 7.442 13.581 23.485 0.00 0.00 -ATOM 2567 H1 H2O 4 186 6.950 12.725 23.643 0.00 0.00 -ATOM 2568 H2 H2O 4 186 8.332 13.383 23.074 0.00 0.00 -ATOM 2569 O1 H2O 5 187 22.349 0.279 19.702 0.00 0.00 -ATOM 2570 H1 H2O 5 187 21.472 0.755 19.638 0.00 0.00 -ATOM 2571 H2 H2O 5 187 23.091 0.918 19.500 0.00 0.00 -ATOM 2572 O1 H2O 6 188 10.009 28.093 20.667 0.00 0.00 -ATOM 2573 H1 H2O 6 188 9.379 28.296 19.918 0.00 0.00 -ATOM 2574 H2 H2O 6 188 10.525 27.263 20.455 0.00 0.00 -ATOM 2575 O1 H2O 7 189 22.963 14.487 23.499 0.00 0.00 -ATOM 2576 H1 H2O 7 189 23.155 15.468 23.524 0.00 0.00 -ATOM 2577 H2 H2O 7 189 23.799 13.979 23.709 0.00 0.00 -ATOM 2578 O1 H2O 8 190 5.612 26.452 23.689 0.00 0.00 -ATOM 2579 H1 H2O 8 190 5.534 26.376 24.683 0.00 0.00 -ATOM 2580 H2 H2O 8 190 4.906 25.891 23.256 0.00 0.00 -ATOM 2581 O1 H2O 9 191 16.421 10.384 22.395 0.00 0.00 -ATOM 2582 H1 H2O 9 191 16.869 11.216 22.723 0.00 0.00 -ATOM 2583 H2 H2O 9 191 16.849 9.586 22.819 0.00 0.00 -ATOM 2584 O1 H2O 0 192 11.675 0.490 20.284 0.00 0.00 -ATOM 2585 H1 H2O 0 192 11.115 1.270 20.002 0.00 0.00 -ATOM 2586 H2 H2O 0 192 11.084 -0.294 20.472 0.00 0.00 -ATOM 2587 O1 H2O 1 193 25.519 21.613 22.244 0.00 0.00 -ATOM 2588 H1 H2O 1 193 26.380 21.533 21.741 0.00 0.00 -ATOM 2589 H2 H2O 1 193 24.821 22.011 21.650 0.00 0.00 -ATOM 2590 O1 H2O 2 194 14.259 8.569 20.133 0.00 0.00 -ATOM 2591 H1 H2O 2 194 14.206 9.534 19.876 0.00 0.00 -ATOM 2592 H2 H2O 2 194 15.189 8.234 19.982 0.00 0.00 -ATOM 2593 O1 H2O 3 195 6.998 20.491 23.621 0.00 0.00 -ATOM 2594 H1 H2O 3 195 7.175 20.455 24.604 0.00 0.00 -ATOM 2595 H2 H2O 3 195 6.128 20.040 23.422 0.00 0.00 -ATOM 2596 O1 H2O 4 196 21.585 4.209 22.871 0.00 0.00 -ATOM 2597 H1 H2O 4 196 21.756 4.176 21.887 0.00 0.00 -ATOM 2598 H2 H2O 4 196 21.567 3.279 23.238 0.00 0.00 -ATOM 2599 O1 H2O 5 197 26.961 13.341 20.659 0.00 0.00 -ATOM 2600 H1 H2O 5 197 26.890 14.287 20.343 0.00 0.00 -ATOM 2601 H2 H2O 5 197 27.725 12.891 20.197 0.00 0.00 -ATOM 2602 O1 H2O 6 198 19.634 15.956 20.326 0.00 0.00 -ATOM 2603 H1 H2O 6 198 19.472 16.866 19.945 0.00 0.00 -ATOM 2604 H2 H2O 6 198 18.840 15.375 20.150 0.00 0.00 -ATOM 2605 O1 H2O 7 199 26.120 28.451 23.712 0.00 0.00 -ATOM 2606 H1 H2O 7 199 25.976 28.839 24.622 0.00 0.00 -ATOM 2607 H2 H2O 7 199 26.944 28.848 23.307 0.00 0.00 -ATOM 2608 O1 H2O 8 200 7.656 0.670 23.721 0.00 0.00 -ATOM 2609 H1 H2O 8 200 8.231 1.323 24.215 0.00 0.00 -ATOM 2610 H2 H2O 8 200 7.926 -0.262 23.963 0.00 0.00 -ATOM 2611 O1 H2O 9 201 11.279 23.306 19.804 0.00 0.00 -ATOM 2612 H1 H2O 9 201 11.051 23.215 18.834 0.00 0.00 -ATOM 2613 H2 H2O 9 201 11.901 22.570 20.070 0.00 0.00 -ATOM 2614 O1 H2O 0 202 17.146 19.534 19.948 0.00 0.00 -ATOM 2615 H1 H2O 0 202 16.948 20.027 19.101 0.00 0.00 -ATOM 2616 H2 H2O 0 202 16.298 19.158 20.321 0.00 0.00 -ATOM 2617 O1 H2O 1 203 15.293 16.416 19.857 0.00 0.00 -ATOM 2618 H1 H2O 1 203 14.725 15.603 19.734 0.00 0.00 -ATOM 2619 H2 H2O 1 203 15.854 16.557 19.041 0.00 0.00 -ATOM 2620 O1 H2O 2 204 11.701 10.545 20.737 0.00 0.00 -ATOM 2621 H1 H2O 2 204 11.594 9.573 20.525 0.00 0.00 -ATOM 2622 H2 H2O 2 204 12.663 10.801 20.647 0.00 0.00 -ATOM 2623 O1 h2o 1 205 29.107 11.767 19.581 0.00 0.00 -ATOM 2624 H1 h2o 1 205 28.759 10.845 19.748 0.00 0.00 -ATOM 2625 H2 h2o 1 205 29.530 11.805 18.675 0.00 0.00 -ATOM 2626 O1 h2o 2 206 2.110 10.436 19.761 0.00 0.00 -ATOM 2627 H1 h2o 2 206 2.221 9.520 20.146 0.00 0.00 -ATOM 2628 H2 h2o 2 206 1.186 10.767 19.950 0.00 0.00 -ATOM 2629 O1 h2o 3 207 6.347 25.394 19.896 0.00 0.00 -ATOM 2630 H1 h2o 3 207 6.118 26.294 19.524 0.00 0.00 -ATOM 2631 H2 h2o 3 207 6.418 25.453 20.892 0.00 0.00 -ATOM 2632 O1 h2o 4 208 0.828 28.905 24.062 0.00 0.00 -ATOM 2633 H1 h2o 4 208 -0.147 28.697 24.150 0.00 0.00 -ATOM 2634 H2 h2o 4 208 1.240 28.959 24.972 0.00 0.00 -ATOM 2635 O1 h2o 5 209 15.812 5.966 20.599 0.00 0.00 -ATOM 2636 H1 h2o 5 209 16.168 5.665 21.484 0.00 0.00 -ATOM 2637 H2 h2o 5 209 15.088 6.640 20.742 0.00 0.00 -END -REMARK GOMC 11 10000000 -CRYST1 29.472 29.777 26.750 90.00 90.00 90.00 P 1 1 -ATOM 1 C1 TOP 1 1 15.350 15.597 10.050 0.00 1.00 -ATOM 2 C2 TOP 1 1 15.350 15.597 13.400 0.00 1.00 -ATOM 3 C3 TOP 1 1 15.350 15.597 16.750 0.00 1.00 -ATOM 4 C4 TOP 1 1 14.122 17.724 10.050 0.00 1.00 -ATOM 5 C5 TOP 1 1 14.122 17.724 13.400 0.00 1.00 -ATOM 6 C6 TOP 1 1 14.122 17.724 16.750 0.00 1.00 -ATOM 7 C7 TOP 1 1 12.894 19.851 10.050 0.00 1.00 -ATOM 8 C8 TOP 1 1 12.894 19.851 13.400 0.00 1.00 -ATOM 9 C9 TOP 1 1 12.894 19.851 16.750 0.00 1.00 -ATOM 10 CA TOP 1 1 11.666 21.978 10.050 0.00 1.00 -ATOM 11 CB TOP 1 1 11.666 21.978 13.400 0.00 1.00 -ATOM 12 CC TOP 1 1 11.666 21.978 16.750 0.00 1.00 -ATOM 13 CD TOP 1 1 10.438 24.105 10.050 0.00 1.00 -ATOM 14 CE TOP 1 1 10.438 24.105 13.400 0.00 1.00 -ATOM 15 CF TOP 1 1 10.438 24.105 16.750 0.00 1.00 -ATOM 16 CG TOP 1 1 9.210 26.232 10.050 0.00 1.00 -ATOM 17 CH TOP 1 1 9.210 26.232 13.400 0.00 1.00 -ATOM 18 CI TOP 1 1 9.210 26.232 16.750 0.00 1.00 -ATOM 19 CJ TOP 1 1 7.982 28.359 10.050 0.00 1.00 -ATOM 20 CK TOP 1 1 7.982 28.359 13.400 0.00 1.00 -ATOM 21 CL TOP 1 1 7.982 28.359 16.750 0.00 1.00 -ATOM 22 CM TOP 1 1 6.754 0.709 10.050 0.00 1.00 -ATOM 23 CN TOP 1 1 6.754 0.709 13.400 0.00 1.00 -ATOM 24 CO TOP 1 1 6.754 0.709 16.750 0.00 1.00 -ATOM 25 CP TOP 1 1 5.526 2.836 10.050 0.00 1.00 -ATOM 26 CQ TOP 1 1 5.526 2.836 13.400 0.00 1.00 -ATOM 27 CR TOP 1 1 5.526 2.836 16.750 0.00 1.00 -ATOM 28 CS TOP 1 1 4.298 4.963 10.050 0.00 1.00 -ATOM 29 CT TOP 1 1 4.298 4.963 13.400 0.00 1.00 -ATOM 30 CU TOP 1 1 4.298 4.963 16.750 0.00 1.00 -ATOM 31 CV TOP 1 1 3.070 7.090 10.050 0.00 1.00 -ATOM 32 CW TOP 1 1 3.070 7.090 13.400 0.00 1.00 -ATOM 33 CX TOP 1 1 3.070 7.090 16.750 0.00 1.00 -ATOM 34 CY TOP 1 1 1.842 9.217 10.050 0.00 1.00 -ATOM 35 CZ TOP 1 1 1.842 9.217 13.400 0.00 1.00 -ATOM 36 Ca TOP 1 1 1.842 9.217 16.750 0.00 1.00 -ATOM 37 Cb TOP 1 1 0.614 11.344 10.050 0.00 1.00 -ATOM 38 Cc TOP 1 1 0.614 11.344 13.400 0.00 1.00 -ATOM 39 Cd TOP 1 1 0.614 11.344 16.750 0.00 1.00 -ATOM 40 Ce TOP 1 1 28.858 13.471 10.050 0.00 1.00 -ATOM 41 Cf TOP 1 1 28.858 13.471 13.400 0.00 1.00 -ATOM 42 Cg TOP 1 1 28.858 13.471 16.750 0.00 1.00 -ATOM 43 Ch TOP 1 1 17.806 15.597 10.050 0.00 1.00 -ATOM 44 Ci TOP 1 1 17.806 15.597 13.400 0.00 1.00 -ATOM 45 Cj TOP 1 1 17.806 15.597 16.750 0.00 1.00 -ATOM 46 Ck TOP 1 1 16.578 17.724 10.050 0.00 1.00 -ATOM 47 Cl TOP 1 1 16.578 17.724 13.400 0.00 1.00 -ATOM 48 Cm TOP 1 1 16.578 17.724 16.750 0.00 1.00 -ATOM 49 Cn TOP 1 1 15.350 19.851 10.050 0.00 1.00 -ATOM 50 Co TOP 1 1 15.350 19.851 13.400 0.00 1.00 -ATOM 51 Cp TOP 1 1 15.350 19.851 16.750 0.00 1.00 -ATOM 52 Cq TOP 1 1 14.122 21.978 10.050 0.00 1.00 -ATOM 53 Cr TOP 1 1 14.122 21.978 13.400 0.00 1.00 -ATOM 54 Cs TOP 1 1 14.122 21.978 16.750 0.00 1.00 -ATOM 55 Ct TOP 1 1 12.894 24.105 10.050 0.00 1.00 -ATOM 56 Cu TOP 1 1 12.894 24.105 13.400 0.00 1.00 -ATOM 57 Cv TOP 1 1 12.894 24.105 16.750 0.00 1.00 -ATOM 58 Cw TOP 1 1 11.666 26.232 10.050 0.00 1.00 -ATOM 59 Cx TOP 1 1 11.666 26.232 13.400 0.00 1.00 -ATOM 60 Cy TOP 1 1 11.666 26.232 16.750 0.00 1.00 -ATOM 61 Cz TOP 1 1 10.438 28.359 10.050 0.00 1.00 -ATOM 62 C10 TOP 1 1 10.438 28.359 13.400 0.00 1.00 -ATOM 63 C11 TOP 1 1 10.438 28.359 16.750 0.00 1.00 -ATOM 64 C12 TOP 1 1 9.210 0.709 10.050 0.00 1.00 -ATOM 65 C13 TOP 1 1 9.210 0.709 13.400 0.00 1.00 -ATOM 66 C14 TOP 1 1 9.210 0.709 16.750 0.00 1.00 -ATOM 67 C15 TOP 1 1 7.982 2.836 10.050 0.00 1.00 -ATOM 68 C16 TOP 1 1 7.982 2.836 13.400 0.00 1.00 -ATOM 69 C17 TOP 1 1 7.982 2.836 16.750 0.00 1.00 -ATOM 70 C18 TOP 1 1 6.754 4.963 10.050 0.00 1.00 -ATOM 71 C19 TOP 1 1 6.754 4.963 13.400 0.00 1.00 -ATOM 72 C1A TOP 1 1 6.754 4.963 16.750 0.00 1.00 -ATOM 73 C1B TOP 1 1 5.526 7.090 10.050 0.00 1.00 -ATOM 74 C1C TOP 1 1 5.526 7.090 13.400 0.00 1.00 -ATOM 75 C1D TOP 1 1 5.526 7.090 16.750 0.00 1.00 -ATOM 76 C1E TOP 1 1 4.298 9.217 10.050 0.00 1.00 -ATOM 77 C1F TOP 1 1 4.298 9.217 13.400 0.00 1.00 -ATOM 78 C1G TOP 1 1 4.298 9.217 16.750 0.00 1.00 -ATOM 79 C1H TOP 1 1 3.070 11.344 10.050 0.00 1.00 -ATOM 80 C1I TOP 1 1 3.070 11.344 13.400 0.00 1.00 -ATOM 81 C1J TOP 1 1 3.070 11.344 16.750 0.00 1.00 -ATOM 82 C1K TOP 1 1 1.842 13.471 10.050 0.00 1.00 -ATOM 83 C1L TOP 1 1 1.842 13.471 13.400 0.00 1.00 -ATOM 84 C1M TOP 1 1 1.842 13.471 16.750 0.00 1.00 -ATOM 85 C1N TOP 1 1 20.262 15.597 10.050 0.00 1.00 -ATOM 86 C1O TOP 1 1 20.262 15.597 13.400 0.00 1.00 -ATOM 87 C1P TOP 1 1 20.262 15.597 16.750 0.00 1.00 -ATOM 88 C1Q TOP 1 1 19.034 17.724 10.050 0.00 1.00 -ATOM 89 C1R TOP 1 1 19.034 17.724 13.400 0.00 1.00 -ATOM 90 C1S TOP 1 1 19.034 17.724 16.750 0.00 1.00 -ATOM 91 C1T TOP 1 1 17.806 19.851 10.050 0.00 1.00 -ATOM 92 C1U TOP 1 1 17.806 19.851 13.400 0.00 1.00 -ATOM 93 C1V TOP 1 1 17.806 19.851 16.750 0.00 1.00 -ATOM 94 C1W TOP 1 1 16.578 21.978 10.050 0.00 1.00 -ATOM 95 C1X TOP 1 1 16.578 21.978 13.400 0.00 1.00 -ATOM 96 C1Y TOP 1 1 16.578 21.978 16.750 0.00 1.00 -ATOM 97 C1Z TOP 1 1 15.350 24.105 10.050 0.00 1.00 -ATOM 98 C1a TOP 1 1 15.350 24.105 13.400 0.00 1.00 -ATOM 99 C1b TOP 1 1 15.350 24.105 16.750 0.00 1.00 -ATOM 100 C1c TOP 1 1 14.122 26.232 10.050 0.00 1.00 -ATOM 101 C1d TOP 1 1 14.122 26.232 13.400 0.00 1.00 -ATOM 102 C1e TOP 1 1 14.122 26.232 16.750 0.00 1.00 -ATOM 103 C1f TOP 1 1 12.894 28.359 10.050 0.00 1.00 -ATOM 104 C1g TOP 1 1 12.894 28.359 13.400 0.00 1.00 -ATOM 105 C1h TOP 1 1 12.894 28.359 16.750 0.00 1.00 -ATOM 106 C1i TOP 1 1 11.666 0.709 10.050 0.00 1.00 -ATOM 107 C1j TOP 1 1 11.666 0.709 13.400 0.00 1.00 -ATOM 108 C1k TOP 1 1 11.666 0.709 16.750 0.00 1.00 -ATOM 109 C1l TOP 1 1 10.438 2.836 10.050 0.00 1.00 -ATOM 110 C1m TOP 1 1 10.438 2.836 13.400 0.00 1.00 -ATOM 111 C1n TOP 1 1 10.438 2.836 16.750 0.00 1.00 -ATOM 112 C1o TOP 1 1 9.210 4.963 10.050 0.00 1.00 -ATOM 113 C1p TOP 1 1 9.210 4.963 13.400 0.00 1.00 -ATOM 114 C1q TOP 1 1 9.210 4.963 16.750 0.00 1.00 -ATOM 115 C1r TOP 1 1 7.982 7.090 10.050 0.00 1.00 -ATOM 116 C1s TOP 1 1 7.982 7.090 13.400 0.00 1.00 -ATOM 117 C1t TOP 1 1 7.982 7.090 16.750 0.00 1.00 -ATOM 118 C1u TOP 1 1 6.754 9.217 10.050 0.00 1.00 -ATOM 119 C1v TOP 1 1 6.754 9.217 13.400 0.00 1.00 -ATOM 120 C1w TOP 1 1 6.754 9.217 16.750 0.00 1.00 -ATOM 121 C1x TOP 1 1 5.526 11.344 10.050 0.00 1.00 -ATOM 122 C1y TOP 1 1 5.526 11.344 13.400 0.00 1.00 -ATOM 123 C1z TOP 1 1 5.526 11.344 16.750 0.00 1.00 -ATOM 124 C20 TOP 1 1 4.298 13.471 10.050 0.00 1.00 -ATOM 125 C21 TOP 1 1 4.298 13.471 13.400 0.00 1.00 -ATOM 126 C22 TOP 1 1 4.298 13.471 16.750 0.00 1.00 -ATOM 127 C23 TOP 1 1 22.718 15.597 10.050 0.00 1.00 -ATOM 128 C24 TOP 1 1 22.718 15.597 13.400 0.00 1.00 -ATOM 129 C25 TOP 1 1 22.718 15.597 16.750 0.00 1.00 -ATOM 130 C26 TOP 1 1 21.490 17.724 10.050 0.00 1.00 -ATOM 131 C27 TOP 1 1 21.490 17.724 13.400 0.00 1.00 -ATOM 132 C28 TOP 1 1 21.490 17.724 16.750 0.00 1.00 -ATOM 133 C29 TOP 1 1 20.262 19.851 10.050 0.00 1.00 -ATOM 134 C2A TOP 1 1 20.262 19.851 13.400 0.00 1.00 -ATOM 135 C2B TOP 1 1 20.262 19.851 16.750 0.00 1.00 -ATOM 136 C2C TOP 1 1 19.034 21.978 10.050 0.00 1.00 -ATOM 137 C2D TOP 1 1 19.034 21.978 13.400 0.00 1.00 -ATOM 138 C2E TOP 1 1 19.034 21.978 16.750 0.00 1.00 -ATOM 139 C2F TOP 1 1 17.806 24.105 10.050 0.00 1.00 -ATOM 140 C2G TOP 1 1 17.806 24.105 13.400 0.00 1.00 -ATOM 141 C2H TOP 1 1 17.806 24.105 16.750 0.00 1.00 -ATOM 142 C2I TOP 1 1 16.578 26.232 10.050 0.00 1.00 -ATOM 143 C2J TOP 1 1 16.578 26.232 13.400 0.00 1.00 -ATOM 144 C2K TOP 1 1 16.578 26.232 16.750 0.00 1.00 -ATOM 145 C2L TOP 1 1 15.350 28.359 10.050 0.00 1.00 -ATOM 146 C2M TOP 1 1 15.350 28.359 13.400 0.00 1.00 -ATOM 147 C2N TOP 1 1 15.350 28.359 16.750 0.00 1.00 -ATOM 148 C2O TOP 1 1 14.122 0.709 10.050 0.00 1.00 -ATOM 149 C2P TOP 1 1 14.122 0.709 13.400 0.00 1.00 -ATOM 150 C2Q TOP 1 1 14.122 0.709 16.750 0.00 1.00 -ATOM 151 C2R TOP 1 1 12.894 2.836 10.050 0.00 1.00 -ATOM 152 C2S TOP 1 1 12.894 2.836 13.400 0.00 1.00 -ATOM 153 C2T TOP 1 1 12.894 2.836 16.750 0.00 1.00 -ATOM 154 C2U TOP 1 1 11.666 4.963 10.050 0.00 1.00 -ATOM 155 C2V TOP 1 1 11.666 4.963 13.400 0.00 1.00 -ATOM 156 C2W TOP 1 1 11.666 4.963 16.750 0.00 1.00 -ATOM 157 C2X TOP 1 1 10.438 7.090 10.050 0.00 1.00 -ATOM 158 C2Y TOP 1 1 10.438 7.090 13.400 0.00 1.00 -ATOM 159 C2Z TOP 1 1 10.438 7.090 16.750 0.00 1.00 -ATOM 160 C2a TOP 1 1 9.210 9.217 10.050 0.00 1.00 -ATOM 161 C2b TOP 1 1 9.210 9.217 13.400 0.00 1.00 -ATOM 162 C2c TOP 1 1 9.210 9.217 16.750 0.00 1.00 -ATOM 163 C2d TOP 1 1 7.982 11.344 10.050 0.00 1.00 -ATOM 164 C2e TOP 1 1 7.982 11.344 13.400 0.00 1.00 -ATOM 165 C2f TOP 1 1 7.982 11.344 16.750 0.00 1.00 -ATOM 166 C2g TOP 1 1 6.754 13.471 10.050 0.00 1.00 -ATOM 167 C2h TOP 1 1 6.754 13.471 13.400 0.00 1.00 -ATOM 168 C2i TOP 1 1 6.754 13.471 16.750 0.00 1.00 -ATOM 169 C2j TOP 1 1 25.174 15.597 10.050 0.00 1.00 -ATOM 170 C2k TOP 1 1 25.174 15.597 13.400 0.00 1.00 -ATOM 171 C2l TOP 1 1 25.174 15.597 16.750 0.00 1.00 -ATOM 172 C2m TOP 1 1 23.946 17.724 10.050 0.00 1.00 -ATOM 173 C2n TOP 1 1 23.946 17.724 13.400 0.00 1.00 -ATOM 174 C2o TOP 1 1 23.946 17.724 16.750 0.00 1.00 -ATOM 175 C2p TOP 1 1 22.718 19.851 10.050 0.00 1.00 -ATOM 176 C2q TOP 1 1 22.718 19.851 13.400 0.00 1.00 -ATOM 177 C2r TOP 1 1 22.718 19.851 16.750 0.00 1.00 -ATOM 178 C2s TOP 1 1 21.490 21.978 10.050 0.00 1.00 -ATOM 179 C2t TOP 1 1 21.490 21.978 13.400 0.00 1.00 -ATOM 180 C2u TOP 1 1 21.490 21.978 16.750 0.00 1.00 -ATOM 181 C2v TOP 1 1 20.262 24.105 10.050 0.00 1.00 -ATOM 182 C2w TOP 1 1 20.262 24.105 13.400 0.00 1.00 -ATOM 183 C2x TOP 1 1 20.262 24.105 16.750 0.00 1.00 -ATOM 184 C2y TOP 1 1 19.034 26.232 10.050 0.00 1.00 -ATOM 185 C2z TOP 1 1 19.034 26.232 13.400 0.00 1.00 -ATOM 186 C30 TOP 1 1 19.034 26.232 16.750 0.00 1.00 -ATOM 187 C31 TOP 1 1 17.806 28.359 10.050 0.00 1.00 -ATOM 188 C32 TOP 1 1 17.806 28.359 13.400 0.00 1.00 -ATOM 189 C33 TOP 1 1 17.806 28.359 16.750 0.00 1.00 -ATOM 190 C34 TOP 1 1 16.578 0.709 10.050 0.00 1.00 -ATOM 191 C35 TOP 1 1 16.578 0.709 13.400 0.00 1.00 -ATOM 192 C36 TOP 1 1 16.578 0.709 16.750 0.00 1.00 -ATOM 193 C37 TOP 1 1 15.350 2.836 10.050 0.00 1.00 -ATOM 194 C38 TOP 1 1 15.350 2.836 13.400 0.00 1.00 -ATOM 195 C39 TOP 1 1 15.350 2.836 16.750 0.00 1.00 -ATOM 196 C3A TOP 1 1 14.122 4.963 10.050 0.00 1.00 -ATOM 197 C3B TOP 1 1 14.122 4.963 13.400 0.00 1.00 -ATOM 198 C3C TOP 1 1 14.122 4.963 16.750 0.00 1.00 -ATOM 199 C3D TOP 1 1 12.894 7.090 10.050 0.00 1.00 -ATOM 200 C3E TOP 1 1 12.894 7.090 13.400 0.00 1.00 -ATOM 201 C3F TOP 1 1 12.894 7.090 16.750 0.00 1.00 -ATOM 202 C3G TOP 1 1 11.666 9.217 10.050 0.00 1.00 -ATOM 203 C3H TOP 1 1 11.666 9.217 13.400 0.00 1.00 -ATOM 204 C3I TOP 1 1 11.666 9.217 16.750 0.00 1.00 -ATOM 205 C3J TOP 1 1 10.438 11.344 10.050 0.00 1.00 -ATOM 206 C3K TOP 1 1 10.438 11.344 13.400 0.00 1.00 -ATOM 207 C3L TOP 1 1 10.438 11.344 16.750 0.00 1.00 -ATOM 208 C3M TOP 1 1 9.210 13.471 10.050 0.00 1.00 -ATOM 209 C3N TOP 1 1 9.210 13.471 13.400 0.00 1.00 -ATOM 210 C3O TOP 1 1 9.210 13.471 16.750 0.00 1.00 -ATOM 211 C3P TOP 1 1 27.630 15.597 10.050 0.00 1.00 -ATOM 212 C3Q TOP 1 1 27.630 15.597 13.400 0.00 1.00 -ATOM 213 C3R TOP 1 1 27.630 15.597 16.750 0.00 1.00 -ATOM 214 C3S TOP 1 1 26.402 17.724 10.050 0.00 1.00 -ATOM 215 C3T TOP 1 1 26.402 17.724 13.400 0.00 1.00 -ATOM 216 C3U TOP 1 1 26.402 17.724 16.750 0.00 1.00 -ATOM 217 C3V TOP 1 1 25.174 19.851 10.050 0.00 1.00 -ATOM 218 C3W TOP 1 1 25.174 19.851 13.400 0.00 1.00 -ATOM 219 C3X TOP 1 1 25.174 19.851 16.750 0.00 1.00 -ATOM 220 C3Y TOP 1 1 23.946 21.978 10.050 0.00 1.00 -ATOM 221 C3Z TOP 1 1 23.946 21.978 13.400 0.00 1.00 -ATOM 222 C3a TOP 1 1 23.946 21.978 16.750 0.00 1.00 -ATOM 223 C3b TOP 1 1 22.718 24.105 10.050 0.00 1.00 -ATOM 224 C3c TOP 1 1 22.718 24.105 13.400 0.00 1.00 -ATOM 225 C3d TOP 1 1 22.718 24.105 16.750 0.00 1.00 -ATOM 226 C3e TOP 1 1 21.490 26.232 10.050 0.00 1.00 -ATOM 227 C3f TOP 1 1 21.490 26.232 13.400 0.00 1.00 -ATOM 228 C3g TOP 1 1 21.490 26.232 16.750 0.00 1.00 -ATOM 229 C3h TOP 1 1 20.262 28.359 10.050 0.00 1.00 -ATOM 230 C3i TOP 1 1 20.262 28.359 13.400 0.00 1.00 -ATOM 231 C3j TOP 1 1 20.262 28.359 16.750 0.00 1.00 -ATOM 232 C3k TOP 1 1 19.034 0.709 10.050 0.00 1.00 -ATOM 233 C3l TOP 1 1 19.034 0.709 13.400 0.00 1.00 -ATOM 234 C3m TOP 1 1 19.034 0.709 16.750 0.00 1.00 -ATOM 235 C3n TOP 1 1 17.806 2.836 10.050 0.00 1.00 -ATOM 236 C3o TOP 1 1 17.806 2.836 13.400 0.00 1.00 -ATOM 237 C3p TOP 1 1 17.806 2.836 16.750 0.00 1.00 -ATOM 238 C3q TOP 1 1 16.578 4.963 10.050 0.00 1.00 -ATOM 239 C3r TOP 1 1 16.578 4.963 13.400 0.00 1.00 -ATOM 240 C3s TOP 1 1 16.578 4.963 16.750 0.00 1.00 -ATOM 241 C3t TOP 1 1 15.350 7.090 10.050 0.00 1.00 -ATOM 242 C3u TOP 1 1 15.350 7.090 13.400 0.00 1.00 -ATOM 243 C3v TOP 1 1 15.350 7.090 16.750 0.00 1.00 -ATOM 244 C3w TOP 1 1 14.122 9.217 10.050 0.00 1.00 -ATOM 245 C3x TOP 1 1 14.122 9.217 13.400 0.00 1.00 -ATOM 246 C3y TOP 1 1 14.122 9.217 16.750 0.00 1.00 -ATOM 247 C3z TOP 1 1 12.894 11.344 10.050 0.00 1.00 -ATOM 248 C40 TOP 1 1 12.894 11.344 13.400 0.00 1.00 -ATOM 249 C41 TOP 1 1 12.894 11.344 16.750 0.00 1.00 -ATOM 250 C42 TOP 1 1 11.666 13.471 10.050 0.00 1.00 -ATOM 251 C43 TOP 1 1 11.666 13.471 13.400 0.00 1.00 -ATOM 252 C44 TOP 1 1 11.666 13.471 16.750 0.00 1.00 -ATOM 253 C45 TOP 1 1 0.614 15.597 10.050 0.00 1.00 -ATOM 254 C46 TOP 1 1 0.614 15.597 13.400 0.00 1.00 -ATOM 255 C47 TOP 1 1 0.614 15.597 16.750 0.00 1.00 -ATOM 256 C48 TOP 1 1 28.858 17.724 10.050 0.00 1.00 -ATOM 257 C49 TOP 1 1 28.858 17.724 13.400 0.00 1.00 -ATOM 258 C4A TOP 1 1 28.858 17.724 16.750 0.00 1.00 -ATOM 259 C4B TOP 1 1 27.630 19.851 10.050 0.00 1.00 -ATOM 260 C4C TOP 1 1 27.630 19.851 13.400 0.00 1.00 -ATOM 261 C4D TOP 1 1 27.630 19.851 16.750 0.00 1.00 -ATOM 262 C4E TOP 1 1 26.402 21.978 10.050 0.00 1.00 -ATOM 263 C4F TOP 1 1 26.402 21.978 13.400 0.00 1.00 -ATOM 264 C4G TOP 1 1 26.402 21.978 16.750 0.00 1.00 -ATOM 265 C4H TOP 1 1 25.174 24.105 10.050 0.00 1.00 -ATOM 266 C4I TOP 1 1 25.174 24.105 13.400 0.00 1.00 -ATOM 267 C4J TOP 1 1 25.174 24.105 16.750 0.00 1.00 -ATOM 268 C4K TOP 1 1 23.946 26.232 10.050 0.00 1.00 -ATOM 269 C4L TOP 1 1 23.946 26.232 13.400 0.00 1.00 -ATOM 270 C4M TOP 1 1 23.946 26.232 16.750 0.00 1.00 -ATOM 271 C4N TOP 1 1 22.718 28.359 10.050 0.00 1.00 -ATOM 272 C4O TOP 1 1 22.718 28.359 13.400 0.00 1.00 -ATOM 273 C4P TOP 1 1 22.718 28.359 16.750 0.00 1.00 -ATOM 274 C4Q TOP 1 1 21.490 0.709 10.050 0.00 1.00 -ATOM 275 C4R TOP 1 1 21.490 0.709 13.400 0.00 1.00 -ATOM 276 C4S TOP 1 1 21.490 0.709 16.750 0.00 1.00 -ATOM 277 C4T TOP 1 1 20.262 2.836 10.050 0.00 1.00 -ATOM 278 C4U TOP 1 1 20.262 2.836 13.400 0.00 1.00 -ATOM 279 C4V TOP 1 1 20.262 2.836 16.750 0.00 1.00 -ATOM 280 C4W TOP 1 1 19.034 4.963 10.050 0.00 1.00 -ATOM 281 C4X TOP 1 1 19.034 4.963 13.400 0.00 1.00 -ATOM 282 C4Y TOP 1 1 19.034 4.963 16.750 0.00 1.00 -ATOM 283 C4Z TOP 1 1 17.806 7.090 10.050 0.00 1.00 -ATOM 284 C4a TOP 1 1 17.806 7.090 13.400 0.00 1.00 -ATOM 285 C4b TOP 1 1 17.806 7.090 16.750 0.00 1.00 -ATOM 286 C4c TOP 1 1 16.578 9.217 10.050 0.00 1.00 -ATOM 287 C4d TOP 1 1 16.578 9.217 13.400 0.00 1.00 -ATOM 288 C4e TOP 1 1 16.578 9.217 16.750 0.00 1.00 -ATOM 289 C4f TOP 1 1 15.350 11.344 10.050 0.00 1.00 -ATOM 290 C4g TOP 1 1 15.350 11.344 13.400 0.00 1.00 -ATOM 291 C4h TOP 1 1 15.350 11.344 16.750 0.00 1.00 -ATOM 292 C4i TOP 1 1 14.122 13.471 10.050 0.00 1.00 -ATOM 293 C4j TOP 1 1 14.122 13.471 13.400 0.00 1.00 -ATOM 294 C4k TOP 1 1 14.122 13.471 16.750 0.00 1.00 -ATOM 295 C4l TOP 1 1 3.070 15.597 10.050 0.00 1.00 -ATOM 296 C4m TOP 1 1 3.070 15.597 13.400 0.00 1.00 -ATOM 297 C4n TOP 1 1 3.070 15.597 16.750 0.00 1.00 -ATOM 298 C4o TOP 1 1 1.842 17.724 10.050 0.00 1.00 -ATOM 299 C4p TOP 1 1 1.842 17.724 13.400 0.00 1.00 -ATOM 300 C4q TOP 1 1 1.842 17.724 16.750 0.00 1.00 -ATOM 301 C4r TOP 1 1 0.614 19.851 10.050 0.00 1.00 -ATOM 302 C4s TOP 1 1 0.614 19.851 13.400 0.00 1.00 -ATOM 303 C4t TOP 1 1 0.614 19.851 16.750 0.00 1.00 -ATOM 304 C4u TOP 1 1 28.858 21.978 10.050 0.00 1.00 -ATOM 305 C4v TOP 1 1 28.858 21.978 13.400 0.00 1.00 -ATOM 306 C4w TOP 1 1 28.858 21.978 16.750 0.00 1.00 -ATOM 307 C4x TOP 1 1 27.630 24.105 10.050 0.00 1.00 -ATOM 308 C4y TOP 1 1 27.630 24.105 13.400 0.00 1.00 -ATOM 309 C4z TOP 1 1 27.630 24.105 16.750 0.00 1.00 -ATOM 310 C50 TOP 1 1 26.402 26.232 10.050 0.00 1.00 -ATOM 311 C51 TOP 1 1 26.402 26.232 13.400 0.00 1.00 -ATOM 312 C52 TOP 1 1 26.402 26.232 16.750 0.00 1.00 -ATOM 313 C53 TOP 1 1 25.174 28.359 10.050 0.00 1.00 -ATOM 314 C54 TOP 1 1 25.174 28.359 13.400 0.00 1.00 -ATOM 315 C55 TOP 1 1 25.174 28.359 16.750 0.00 1.00 -ATOM 316 C56 TOP 1 1 23.946 0.709 10.050 0.00 1.00 -ATOM 317 C57 TOP 1 1 23.946 0.709 13.400 0.00 1.00 -ATOM 318 C58 TOP 1 1 23.946 0.709 16.750 0.00 1.00 -ATOM 319 C59 TOP 1 1 22.718 2.836 10.050 0.00 1.00 -ATOM 320 C5A TOP 1 1 22.718 2.836 13.400 0.00 1.00 -ATOM 321 C5B TOP 1 1 22.718 2.836 16.750 0.00 1.00 -ATOM 322 C5C TOP 1 1 21.490 4.963 10.050 0.00 1.00 -ATOM 323 C5D TOP 1 1 21.490 4.963 13.400 0.00 1.00 -ATOM 324 C5E TOP 1 1 21.490 4.963 16.750 0.00 1.00 -ATOM 325 C5F TOP 1 1 20.262 7.090 10.050 0.00 1.00 -ATOM 326 C5G TOP 1 1 20.262 7.090 13.400 0.00 1.00 -ATOM 327 C5H TOP 1 1 20.262 7.090 16.750 0.00 1.00 -ATOM 328 C5I TOP 1 1 19.034 9.217 10.050 0.00 1.00 -ATOM 329 C5J TOP 1 1 19.034 9.217 13.400 0.00 1.00 -ATOM 330 C5K TOP 1 1 19.034 9.217 16.750 0.00 1.00 -ATOM 331 C5L TOP 1 1 17.806 11.344 10.050 0.00 1.00 -ATOM 332 C5M TOP 1 1 17.806 11.344 13.400 0.00 1.00 -ATOM 333 C5N TOP 1 1 17.806 11.344 16.750 0.00 1.00 -ATOM 334 C5O TOP 1 1 16.578 13.471 10.050 0.00 1.00 -ATOM 335 C5P TOP 1 1 16.578 13.471 13.400 0.00 1.00 -ATOM 336 C5Q TOP 1 1 16.578 13.471 16.750 0.00 1.00 -ATOM 337 C5R TOP 1 1 5.526 15.597 10.050 0.00 1.00 -ATOM 338 C5S TOP 1 1 5.526 15.597 13.400 0.00 1.00 -ATOM 339 C5T TOP 1 1 5.526 15.597 16.750 0.00 1.00 -ATOM 340 C5U TOP 1 1 4.298 17.724 10.050 0.00 1.00 -ATOM 341 C5V TOP 1 1 4.298 17.724 13.400 0.00 1.00 -ATOM 342 C5W TOP 1 1 4.298 17.724 16.750 0.00 1.00 -ATOM 343 C5X TOP 1 1 3.070 19.851 10.050 0.00 1.00 -ATOM 344 C5Y TOP 1 1 3.070 19.851 13.400 0.00 1.00 -ATOM 345 C5Z TOP 1 1 3.070 19.851 16.750 0.00 1.00 -ATOM 346 C5a TOP 1 1 1.842 21.978 10.050 0.00 1.00 -ATOM 347 C5b TOP 1 1 1.842 21.978 13.400 0.00 1.00 -ATOM 348 C5c TOP 1 1 1.842 21.978 16.750 0.00 1.00 -ATOM 349 C5d TOP 1 1 0.614 24.105 10.050 0.00 1.00 -ATOM 350 C5e TOP 1 1 0.614 24.105 13.400 0.00 1.00 -ATOM 351 C5f TOP 1 1 0.614 24.105 16.750 0.00 1.00 -ATOM 352 C5g TOP 1 1 28.858 26.232 10.050 0.00 1.00 -ATOM 353 C5h TOP 1 1 28.858 26.232 13.400 0.00 1.00 -ATOM 354 C5i TOP 1 1 28.858 26.232 16.750 0.00 1.00 -ATOM 355 C5j TOP 1 1 27.630 28.359 10.050 0.00 1.00 -ATOM 356 C5k TOP 1 1 27.630 28.359 13.400 0.00 1.00 -ATOM 357 C5l TOP 1 1 27.630 28.359 16.750 0.00 1.00 -ATOM 358 C5m TOP 1 1 26.402 0.709 10.050 0.00 1.00 -ATOM 359 C5n TOP 1 1 26.402 0.709 13.400 0.00 1.00 -ATOM 360 C5o TOP 1 1 26.402 0.709 16.750 0.00 1.00 -ATOM 361 C5p TOP 1 1 25.174 2.836 10.050 0.00 1.00 -ATOM 362 C5q TOP 1 1 25.174 2.836 13.400 0.00 1.00 -ATOM 363 C5r TOP 1 1 25.174 2.836 16.750 0.00 1.00 -ATOM 364 C5s TOP 1 1 23.946 4.963 10.050 0.00 1.00 -ATOM 365 C5t TOP 1 1 23.946 4.963 13.400 0.00 1.00 -ATOM 366 C5u TOP 1 1 23.946 4.963 16.750 0.00 1.00 -ATOM 367 C5v TOP 1 1 22.718 7.090 10.050 0.00 1.00 -ATOM 368 C5w TOP 1 1 22.718 7.090 13.400 0.00 1.00 -ATOM 369 C5x TOP 1 1 22.718 7.090 16.750 0.00 1.00 -ATOM 370 C5y TOP 1 1 21.490 9.217 10.050 0.00 1.00 -ATOM 371 C5z TOP 1 1 21.490 9.217 13.400 0.00 1.00 -ATOM 372 C60 TOP 1 1 21.490 9.217 16.750 0.00 1.00 -ATOM 373 C61 TOP 1 1 20.262 11.344 10.050 0.00 1.00 -ATOM 374 C62 TOP 1 1 20.262 11.344 13.400 0.00 1.00 -ATOM 375 C63 TOP 1 1 20.262 11.344 16.750 0.00 1.00 -ATOM 376 C64 TOP 1 1 19.034 13.471 10.050 0.00 1.00 -ATOM 377 C65 TOP 1 1 19.034 13.471 13.400 0.00 1.00 -ATOM 378 C66 TOP 1 1 19.034 13.471 16.750 0.00 1.00 -ATOM 379 C67 TOP 1 1 7.982 15.597 10.050 0.00 1.00 -ATOM 380 C68 TOP 1 1 7.982 15.597 13.400 0.00 1.00 -ATOM 381 C69 TOP 1 1 7.982 15.597 16.750 0.00 1.00 -ATOM 382 C6A TOP 1 1 6.754 17.724 10.050 0.00 1.00 -ATOM 383 C6B TOP 1 1 6.754 17.724 13.400 0.00 1.00 -ATOM 384 C6C TOP 1 1 6.754 17.724 16.750 0.00 1.00 -ATOM 385 C6D TOP 1 1 5.526 19.851 10.050 0.00 1.00 -ATOM 386 C6E TOP 1 1 5.526 19.851 13.400 0.00 1.00 -ATOM 387 C6F TOP 1 1 5.526 19.851 16.750 0.00 1.00 -ATOM 388 C6G TOP 1 1 4.298 21.978 10.050 0.00 1.00 -ATOM 389 C6H TOP 1 1 4.298 21.978 13.400 0.00 1.00 -ATOM 390 C6I TOP 1 1 4.298 21.978 16.750 0.00 1.00 -ATOM 391 C6J TOP 1 1 3.070 24.105 10.050 0.00 1.00 -ATOM 392 C6K TOP 1 1 3.070 24.105 13.400 0.00 1.00 -ATOM 393 C6L TOP 1 1 3.070 24.105 16.750 0.00 1.00 -ATOM 394 C6M TOP 1 1 1.842 26.232 10.050 0.00 1.00 -ATOM 395 C6N TOP 1 1 1.842 26.232 13.400 0.00 1.00 -ATOM 396 C6O TOP 1 1 1.842 26.232 16.750 0.00 1.00 -ATOM 397 C6P TOP 1 1 0.614 28.359 10.050 0.00 1.00 -ATOM 398 C6Q TOP 1 1 0.614 28.359 13.400 0.00 1.00 -ATOM 399 C6R TOP 1 1 0.614 28.359 16.750 0.00 1.00 -ATOM 400 C6S TOP 1 1 28.858 0.709 10.050 0.00 1.00 -ATOM 401 C6T TOP 1 1 28.858 0.709 13.400 0.00 1.00 -ATOM 402 C6U TOP 1 1 28.858 0.709 16.750 0.00 1.00 -ATOM 403 C6V TOP 1 1 27.630 2.836 10.050 0.00 1.00 -ATOM 404 C6W TOP 1 1 27.630 2.836 13.400 0.00 1.00 -ATOM 405 C6X TOP 1 1 27.630 2.836 16.750 0.00 1.00 -ATOM 406 C6Y TOP 1 1 26.402 4.963 10.050 0.00 1.00 -ATOM 407 C6Z TOP 1 1 26.402 4.963 13.400 0.00 1.00 -ATOM 408 C6a TOP 1 1 26.402 4.963 16.750 0.00 1.00 -ATOM 409 C6b TOP 1 1 25.174 7.090 10.050 0.00 1.00 -ATOM 410 C6c TOP 1 1 25.174 7.090 13.400 0.00 1.00 -ATOM 411 C6d TOP 1 1 25.174 7.090 16.750 0.00 1.00 -ATOM 412 C6e TOP 1 1 23.946 9.217 10.050 0.00 1.00 -ATOM 413 C6f TOP 1 1 23.946 9.217 13.400 0.00 1.00 -ATOM 414 C6g TOP 1 1 23.946 9.217 16.750 0.00 1.00 -ATOM 415 C6h TOP 1 1 22.718 11.344 10.050 0.00 1.00 -ATOM 416 C6i TOP 1 1 22.718 11.344 13.400 0.00 1.00 -ATOM 417 C6j TOP 1 1 22.718 11.344 16.750 0.00 1.00 -ATOM 418 C6k TOP 1 1 21.490 13.471 10.050 0.00 1.00 -ATOM 419 C6l TOP 1 1 21.490 13.471 13.400 0.00 1.00 -ATOM 420 C6m TOP 1 1 21.490 13.471 16.750 0.00 1.00 -ATOM 421 C6n TOP 1 1 10.438 15.597 10.050 0.00 1.00 -ATOM 422 C6o TOP 1 1 10.438 15.597 13.400 0.00 1.00 -ATOM 423 C6p TOP 1 1 10.438 15.597 16.750 0.00 1.00 -ATOM 424 C6q TOP 1 1 9.210 17.724 10.050 0.00 1.00 -ATOM 425 C6r TOP 1 1 9.210 17.724 13.400 0.00 1.00 -ATOM 426 C6s TOP 1 1 9.210 17.724 16.750 0.00 1.00 -ATOM 427 C6t TOP 1 1 7.982 19.851 10.050 0.00 1.00 -ATOM 428 C6u TOP 1 1 7.982 19.851 13.400 0.00 1.00 -ATOM 429 C6v TOP 1 1 7.982 19.851 16.750 0.00 1.00 -ATOM 430 C6w TOP 1 1 6.754 21.978 10.050 0.00 1.00 -ATOM 431 C6x TOP 1 1 6.754 21.978 13.400 0.00 1.00 -ATOM 432 C6y TOP 1 1 6.754 21.978 16.750 0.00 1.00 -ATOM 433 C6z TOP 1 1 5.526 24.105 10.050 0.00 1.00 -ATOM 434 C70 TOP 1 1 5.526 24.105 13.400 0.00 1.00 -ATOM 435 C71 TOP 1 1 5.526 24.105 16.750 0.00 1.00 -ATOM 436 C72 TOP 1 1 4.298 26.232 10.050 0.00 1.00 -ATOM 437 C73 TOP 1 1 4.298 26.232 13.400 0.00 1.00 -ATOM 438 C74 TOP 1 1 4.298 26.232 16.750 0.00 1.00 -ATOM 439 C75 TOP 1 1 3.070 28.359 10.050 0.00 1.00 -ATOM 440 C76 TOP 1 1 3.070 28.359 13.400 0.00 1.00 -ATOM 441 C77 TOP 1 1 3.070 28.359 16.750 0.00 1.00 -ATOM 442 C78 TOP 1 1 1.842 0.709 10.050 0.00 1.00 -ATOM 443 C79 TOP 1 1 1.842 0.709 13.400 0.00 1.00 -ATOM 444 C7A TOP 1 1 1.842 0.709 16.750 0.00 1.00 -ATOM 445 C7B TOP 1 1 0.614 2.836 10.050 0.00 1.00 -ATOM 446 C7C TOP 1 1 0.614 2.836 13.400 0.00 1.00 -ATOM 447 C7D TOP 1 1 0.614 2.836 16.750 0.00 1.00 -ATOM 448 C7E TOP 1 1 28.858 4.963 10.050 0.00 1.00 -ATOM 449 C7F TOP 1 1 28.858 4.963 13.400 0.00 1.00 -ATOM 450 C7G TOP 1 1 28.858 4.963 16.750 0.00 1.00 -ATOM 451 C7H TOP 1 1 27.630 7.090 10.050 0.00 1.00 -ATOM 452 C7I TOP 1 1 27.630 7.090 13.400 0.00 1.00 -ATOM 453 C7J TOP 1 1 27.630 7.090 16.750 0.00 1.00 -ATOM 454 C7K TOP 1 1 26.402 9.217 10.050 0.00 1.00 -ATOM 455 C7L TOP 1 1 26.402 9.217 13.400 0.00 1.00 -ATOM 456 C7M TOP 1 1 26.402 9.217 16.750 0.00 1.00 -ATOM 457 C7N TOP 1 1 25.174 11.344 10.050 0.00 1.00 -ATOM 458 C7O TOP 1 1 25.174 11.344 13.400 0.00 1.00 -ATOM 459 C7P TOP 1 1 25.174 11.344 16.750 0.00 1.00 -ATOM 460 C7Q TOP 1 1 23.946 13.471 10.050 0.00 1.00 -ATOM 461 C7R TOP 1 1 23.946 13.471 13.400 0.00 1.00 -ATOM 462 C7S TOP 1 1 23.946 13.471 16.750 0.00 1.00 -ATOM 463 C7T TOP 1 1 12.894 15.597 10.050 0.00 1.00 -ATOM 464 C7U TOP 1 1 12.894 15.597 13.400 0.00 1.00 -ATOM 465 C7V TOP 1 1 12.894 15.597 16.750 0.00 1.00 -ATOM 466 C7W TOP 1 1 11.666 17.724 10.050 0.00 1.00 -ATOM 467 C7X TOP 1 1 11.666 17.724 13.400 0.00 1.00 -ATOM 468 C7Y TOP 1 1 11.666 17.724 16.750 0.00 1.00 -ATOM 469 C7Z TOP 1 1 10.438 19.851 10.050 0.00 1.00 -ATOM 470 C7a TOP 1 1 10.438 19.851 13.400 0.00 1.00 -ATOM 471 C7b TOP 1 1 10.438 19.851 16.750 0.00 1.00 -ATOM 472 C7c TOP 1 1 9.210 21.978 10.050 0.00 1.00 -ATOM 473 C7d TOP 1 1 9.210 21.978 13.400 0.00 1.00 -ATOM 474 C7e TOP 1 1 9.210 21.978 16.750 0.00 1.00 -ATOM 475 C7f TOP 1 1 7.982 24.105 10.050 0.00 1.00 -ATOM 476 C7g TOP 1 1 7.982 24.105 13.400 0.00 1.00 -ATOM 477 C7h TOP 1 1 7.982 24.105 16.750 0.00 1.00 -ATOM 478 C7i TOP 1 1 6.754 26.232 10.050 0.00 1.00 -ATOM 479 C7j TOP 1 1 6.754 26.232 13.400 0.00 1.00 -ATOM 480 C7k TOP 1 1 6.754 26.232 16.750 0.00 1.00 -ATOM 481 C7l TOP 1 1 5.526 28.359 10.050 0.00 1.00 -ATOM 482 C7m TOP 1 1 5.526 28.359 13.400 0.00 1.00 -ATOM 483 C7n TOP 1 1 5.526 28.359 16.750 0.00 1.00 -ATOM 484 C7o TOP 1 1 4.298 0.709 10.050 0.00 1.00 -ATOM 485 C7p TOP 1 1 4.298 0.709 13.400 0.00 1.00 -ATOM 486 C7q TOP 1 1 4.298 0.709 16.750 0.00 1.00 -ATOM 487 C7r TOP 1 1 3.070 2.836 10.050 0.00 1.00 -ATOM 488 C7s TOP 1 1 3.070 2.836 13.400 0.00 1.00 -ATOM 489 C7t TOP 1 1 3.070 2.836 16.750 0.00 1.00 -ATOM 490 C7u TOP 1 1 1.842 4.963 10.050 0.00 1.00 -ATOM 491 C7v TOP 1 1 1.842 4.963 13.400 0.00 1.00 -ATOM 492 C7w TOP 1 1 1.842 4.963 16.750 0.00 1.00 -ATOM 493 C7x TOP 1 1 0.614 7.090 10.050 0.00 1.00 -ATOM 494 C7y TOP 1 1 0.614 7.090 13.400 0.00 1.00 -ATOM 495 C7z TOP 1 1 0.614 7.090 16.750 0.00 1.00 -ATOM 496 C80 TOP 1 1 28.858 9.217 10.050 0.00 1.00 -ATOM 497 C81 TOP 1 1 28.858 9.217 13.400 0.00 1.00 -ATOM 498 C82 TOP 1 1 28.858 9.217 16.750 0.00 1.00 -ATOM 499 C83 TOP 1 1 27.630 11.344 10.050 0.00 1.00 -ATOM 500 C84 TOP 1 1 27.630 11.344 13.400 0.00 1.00 -ATOM 501 C85 TOP 1 1 27.630 11.344 16.750 0.00 1.00 -ATOM 502 C86 TOP 1 1 26.402 13.471 10.050 0.00 1.00 -ATOM 503 C87 TOP 1 1 26.402 13.471 13.400 0.00 1.00 -ATOM 504 C88 TOP 1 1 26.402 13.471 16.750 0.00 1.00 -ATOM 505 C89 TOP 1 1 16.578 16.306 10.050 0.00 1.00 -ATOM 506 C8A TOP 1 1 16.578 16.306 13.400 0.00 1.00 -ATOM 507 C8B TOP 1 1 16.578 16.306 16.750 0.00 1.00 -ATOM 508 C8C TOP 1 1 15.350 18.433 10.050 0.00 1.00 -ATOM 509 C8D TOP 1 1 15.350 18.433 13.400 0.00 1.00 -ATOM 510 C8E TOP 1 1 15.350 18.433 16.750 0.00 1.00 -ATOM 511 C8F TOP 1 1 14.122 20.560 10.050 0.00 1.00 -ATOM 512 C8G TOP 1 1 14.122 20.560 13.400 0.00 1.00 -ATOM 513 C8H TOP 1 1 14.122 20.560 16.750 0.00 1.00 -ATOM 514 C8I TOP 1 1 12.894 22.687 10.050 0.00 1.00 -ATOM 515 C8J TOP 1 1 12.894 22.687 13.400 0.00 1.00 -ATOM 516 C8K TOP 1 1 12.894 22.687 16.750 0.00 1.00 -ATOM 517 C8L TOP 1 1 11.666 24.814 10.050 0.00 1.00 -ATOM 518 C8M TOP 1 1 11.666 24.814 13.400 0.00 1.00 -ATOM 519 C8N TOP 1 1 11.666 24.814 16.750 0.00 1.00 -ATOM 520 C8O TOP 1 1 10.438 26.941 10.050 0.00 1.00 -ATOM 521 C8P TOP 1 1 10.438 26.941 13.400 0.00 1.00 -ATOM 522 C8Q TOP 1 1 10.438 26.941 16.750 0.00 1.00 -ATOM 523 C8R TOP 1 1 9.210 29.068 10.050 0.00 1.00 -ATOM 524 C8S TOP 1 1 9.210 29.068 13.400 0.00 1.00 -ATOM 525 C8T TOP 1 1 9.210 29.068 16.750 0.00 1.00 -ATOM 526 C8U TOP 1 1 7.982 1.418 10.050 0.00 1.00 -ATOM 527 C8V TOP 1 1 7.982 1.418 13.400 0.00 1.00 -ATOM 528 C8W TOP 1 1 7.982 1.418 16.750 0.00 1.00 -ATOM 529 C8X TOP 1 1 6.754 3.545 10.050 0.00 1.00 -ATOM 530 C8Y TOP 1 1 6.754 3.545 13.400 0.00 1.00 -ATOM 531 C8Z TOP 1 1 6.754 3.545 16.750 0.00 1.00 -ATOM 532 C8a TOP 1 1 5.526 5.672 10.050 0.00 1.00 -ATOM 533 C8b TOP 1 1 5.526 5.672 13.400 0.00 1.00 -ATOM 534 C8c TOP 1 1 5.526 5.672 16.750 0.00 1.00 -ATOM 535 C8d TOP 1 1 4.298 7.799 10.050 0.00 1.00 -ATOM 536 C8e TOP 1 1 4.298 7.799 13.400 0.00 1.00 -ATOM 537 C8f TOP 1 1 4.298 7.799 16.750 0.00 1.00 -ATOM 538 C8g TOP 1 1 3.070 9.926 10.050 0.00 1.00 -ATOM 539 C8h TOP 1 1 3.070 9.926 13.400 0.00 1.00 -ATOM 540 C8i TOP 1 1 3.070 9.926 16.750 0.00 1.00 -ATOM 541 C8j TOP 1 1 1.842 12.053 10.050 0.00 1.00 -ATOM 542 C8k TOP 1 1 1.842 12.053 13.400 0.00 1.00 -ATOM 543 C8l TOP 1 1 1.842 12.053 16.750 0.00 1.00 -ATOM 544 C8m TOP 1 1 0.614 14.180 10.050 0.00 1.00 -ATOM 545 C8n TOP 1 1 0.614 14.180 13.400 0.00 1.00 -ATOM 546 C8o TOP 1 1 0.614 14.180 16.750 0.00 1.00 -ATOM 547 C8p TOP 1 1 19.034 16.306 10.050 0.00 1.00 -ATOM 548 C8q TOP 1 1 19.034 16.306 13.400 0.00 1.00 -ATOM 549 C8r TOP 1 1 19.034 16.306 16.750 0.00 1.00 -ATOM 550 C8s TOP 1 1 17.806 18.433 10.050 0.00 1.00 -ATOM 551 C8t TOP 1 1 17.806 18.433 13.400 0.00 1.00 -ATOM 552 C8u TOP 1 1 17.806 18.433 16.750 0.00 1.00 -ATOM 553 C8v TOP 1 1 16.578 20.560 10.050 0.00 1.00 -ATOM 554 C8w TOP 1 1 16.578 20.560 13.400 0.00 1.00 -ATOM 555 C8x TOP 1 1 16.578 20.560 16.750 0.00 1.00 -ATOM 556 C8y TOP 1 1 15.350 22.687 10.050 0.00 1.00 -ATOM 557 C8z TOP 1 1 15.350 22.687 13.400 0.00 1.00 -ATOM 558 C90 TOP 1 1 15.350 22.687 16.750 0.00 1.00 -ATOM 559 C91 TOP 1 1 14.122 24.814 10.050 0.00 1.00 -ATOM 560 C92 TOP 1 1 14.122 24.814 13.400 0.00 1.00 -ATOM 561 C93 TOP 1 1 14.122 24.814 16.750 0.00 1.00 -ATOM 562 C94 TOP 1 1 12.894 26.941 10.050 0.00 1.00 -ATOM 563 C95 TOP 1 1 12.894 26.941 13.400 0.00 1.00 -ATOM 564 C96 TOP 1 1 12.894 26.941 16.750 0.00 1.00 -ATOM 565 C97 TOP 1 1 11.666 29.068 10.050 0.00 1.00 -ATOM 566 C98 TOP 1 1 11.666 29.068 13.400 0.00 1.00 -ATOM 567 C99 TOP 1 1 11.666 29.068 16.750 0.00 1.00 -ATOM 568 C9A TOP 1 1 10.438 1.418 10.050 0.00 1.00 -ATOM 569 C9B TOP 1 1 10.438 1.418 13.400 0.00 1.00 -ATOM 570 C9C TOP 1 1 10.438 1.418 16.750 0.00 1.00 -ATOM 571 C9D TOP 1 1 9.210 3.545 10.050 0.00 1.00 -ATOM 572 C9E TOP 1 1 9.210 3.545 13.400 0.00 1.00 -ATOM 573 C9F TOP 1 1 9.210 3.545 16.750 0.00 1.00 -ATOM 574 C9G TOP 1 1 7.982 5.672 10.050 0.00 1.00 -ATOM 575 C9H TOP 1 1 7.982 5.672 13.400 0.00 1.00 -ATOM 576 C9I TOP 1 1 7.982 5.672 16.750 0.00 1.00 -ATOM 577 C9J TOP 1 1 6.754 7.799 10.050 0.00 1.00 -ATOM 578 C9K TOP 1 1 6.754 7.799 13.400 0.00 1.00 -ATOM 579 C9L TOP 1 1 6.754 7.799 16.750 0.00 1.00 -ATOM 580 C9M TOP 1 1 5.526 9.926 10.050 0.00 1.00 -ATOM 581 C9N TOP 1 1 5.526 9.926 13.400 0.00 1.00 -ATOM 582 C9O TOP 1 1 5.526 9.926 16.750 0.00 1.00 -ATOM 583 C9P TOP 1 1 4.298 12.053 10.050 0.00 1.00 -ATOM 584 C9Q TOP 1 1 4.298 12.053 13.400 0.00 1.00 -ATOM 585 C9R TOP 1 1 4.298 12.053 16.750 0.00 1.00 -ATOM 586 C9S TOP 1 1 3.070 14.180 10.050 0.00 1.00 -ATOM 587 C9T TOP 1 1 3.070 14.180 13.400 0.00 1.00 -ATOM 588 C9U TOP 1 1 3.070 14.180 16.750 0.00 1.00 -ATOM 589 C9V TOP 1 1 21.490 16.306 10.050 0.00 1.00 -ATOM 590 C9W TOP 1 1 21.490 16.306 13.400 0.00 1.00 -ATOM 591 C9X TOP 1 1 21.490 16.306 16.750 0.00 1.00 -ATOM 592 C9Y TOP 1 1 20.262 18.433 10.050 0.00 1.00 -ATOM 593 C9Z TOP 1 1 20.262 18.433 13.400 0.00 1.00 -ATOM 594 C9a TOP 1 1 20.262 18.433 16.750 0.00 1.00 -ATOM 595 C9b TOP 1 1 19.034 20.560 10.050 0.00 1.00 -ATOM 596 C9c TOP 1 1 19.034 20.560 13.400 0.00 1.00 -ATOM 597 C9d TOP 1 1 19.034 20.560 16.750 0.00 1.00 -ATOM 598 C9e TOP 1 1 17.806 22.687 10.050 0.00 1.00 -ATOM 599 C9f TOP 1 1 17.806 22.687 13.400 0.00 1.00 -ATOM 600 C9g TOP 1 1 17.806 22.687 16.750 0.00 1.00 -ATOM 601 C9h TOP 1 1 16.578 24.814 10.050 0.00 1.00 -ATOM 602 C9i TOP 1 1 16.578 24.814 13.400 0.00 1.00 -ATOM 603 C9j TOP 1 1 16.578 24.814 16.750 0.00 1.00 -ATOM 604 C9k TOP 1 1 15.350 26.941 10.050 0.00 1.00 -ATOM 605 C9l TOP 1 1 15.350 26.941 13.400 0.00 1.00 -ATOM 606 C9m TOP 1 1 15.350 26.941 16.750 0.00 1.00 -ATOM 607 C9n TOP 1 1 14.122 29.068 10.050 0.00 1.00 -ATOM 608 C9o TOP 1 1 14.122 29.068 13.400 0.00 1.00 -ATOM 609 C9p TOP 1 1 14.122 29.068 16.750 0.00 1.00 -ATOM 610 C9q TOP 1 1 12.894 1.418 10.050 0.00 1.00 -ATOM 611 C9r TOP 1 1 12.894 1.418 13.400 0.00 1.00 -ATOM 612 C9s TOP 1 1 12.894 1.418 16.750 0.00 1.00 -ATOM 613 C9t TOP 1 1 11.666 3.545 10.050 0.00 1.00 -ATOM 614 C9u TOP 1 1 11.666 3.545 13.400 0.00 1.00 -ATOM 615 C9v TOP 1 1 11.666 3.545 16.750 0.00 1.00 -ATOM 616 C9w TOP 1 1 10.438 5.672 10.050 0.00 1.00 -ATOM 617 C9x TOP 1 1 10.438 5.672 13.400 0.00 1.00 -ATOM 618 C9y TOP 1 1 10.438 5.672 16.750 0.00 1.00 -ATOM 619 C9z TOP 1 1 9.210 7.799 10.050 0.00 1.00 -ATOM 620 CA0 TOP 1 1 9.210 7.799 13.400 0.00 1.00 -ATOM 621 CA1 TOP 1 1 9.210 7.799 16.750 0.00 1.00 -ATOM 622 CA2 TOP 1 1 7.982 9.926 10.050 0.00 1.00 -ATOM 623 CA3 TOP 1 1 7.982 9.926 13.400 0.00 1.00 -ATOM 624 CA4 TOP 1 1 7.982 9.926 16.750 0.00 1.00 -ATOM 625 CA5 TOP 1 1 6.754 12.053 10.050 0.00 1.00 -ATOM 626 CA6 TOP 1 1 6.754 12.053 13.400 0.00 1.00 -ATOM 627 CA7 TOP 1 1 6.754 12.053 16.750 0.00 1.00 -ATOM 628 CA8 TOP 1 1 5.526 14.180 10.050 0.00 1.00 -ATOM 629 CA9 TOP 1 1 5.526 14.180 13.400 0.00 1.00 -ATOM 630 CAA TOP 1 1 5.526 14.180 16.750 0.00 1.00 -ATOM 631 CAB TOP 1 1 23.946 16.306 10.050 0.00 1.00 -ATOM 632 CAC TOP 1 1 23.946 16.306 13.400 0.00 1.00 -ATOM 633 CAD TOP 1 1 23.946 16.306 16.750 0.00 1.00 -ATOM 634 CAE TOP 1 1 22.718 18.433 10.050 0.00 1.00 -ATOM 635 CAF TOP 1 1 22.718 18.433 13.400 0.00 1.00 -ATOM 636 CAG TOP 1 1 22.718 18.433 16.750 0.00 1.00 -ATOM 637 CAH TOP 1 1 21.490 20.560 10.050 0.00 1.00 -ATOM 638 CAI TOP 1 1 21.490 20.560 13.400 0.00 1.00 -ATOM 639 CAJ TOP 1 1 21.490 20.560 16.750 0.00 1.00 -ATOM 640 CAK TOP 1 1 20.262 22.687 10.050 0.00 1.00 -ATOM 641 CAL TOP 1 1 20.262 22.687 13.400 0.00 1.00 -ATOM 642 CAM TOP 1 1 20.262 22.687 16.750 0.00 1.00 -ATOM 643 CAN TOP 1 1 19.034 24.814 10.050 0.00 1.00 -ATOM 644 CAO TOP 1 1 19.034 24.814 13.400 0.00 1.00 -ATOM 645 CAP TOP 1 1 19.034 24.814 16.750 0.00 1.00 -ATOM 646 CAQ TOP 1 1 17.806 26.941 10.050 0.00 1.00 -ATOM 647 CAR TOP 1 1 17.806 26.941 13.400 0.00 1.00 -ATOM 648 CAS TOP 1 1 17.806 26.941 16.750 0.00 1.00 -ATOM 649 CAT TOP 1 1 16.578 29.068 10.050 0.00 1.00 -ATOM 650 CAU TOP 1 1 16.578 29.068 13.400 0.00 1.00 -ATOM 651 CAV TOP 1 1 16.578 29.068 16.750 0.00 1.00 -ATOM 652 CAW TOP 1 1 15.350 1.418 10.050 0.00 1.00 -ATOM 653 CAX TOP 1 1 15.350 1.418 13.400 0.00 1.00 -ATOM 654 CAY TOP 1 1 15.350 1.418 16.750 0.00 1.00 -ATOM 655 CAZ TOP 1 1 14.122 3.545 10.050 0.00 1.00 -ATOM 656 CAa TOP 1 1 14.122 3.545 13.400 0.00 1.00 -ATOM 657 CAb TOP 1 1 14.122 3.545 16.750 0.00 1.00 -ATOM 658 CAc TOP 1 1 12.894 5.672 10.050 0.00 1.00 -ATOM 659 CAd TOP 1 1 12.894 5.672 13.400 0.00 1.00 -ATOM 660 CAe TOP 1 1 12.894 5.672 16.750 0.00 1.00 -ATOM 661 CAf TOP 1 1 11.666 7.799 10.050 0.00 1.00 -ATOM 662 CAg TOP 1 1 11.666 7.799 13.400 0.00 1.00 -ATOM 663 CAh TOP 1 1 11.666 7.799 16.750 0.00 1.00 -ATOM 664 CAi TOP 1 1 10.438 9.926 10.050 0.00 1.00 -ATOM 665 CAj TOP 1 1 10.438 9.926 13.400 0.00 1.00 -ATOM 666 CAk TOP 1 1 10.438 9.926 16.750 0.00 1.00 -ATOM 667 CAl TOP 1 1 9.210 12.053 10.050 0.00 1.00 -ATOM 668 CAm TOP 1 1 9.210 12.053 13.400 0.00 1.00 -ATOM 669 CAn TOP 1 1 9.210 12.053 16.750 0.00 1.00 -ATOM 670 CAo TOP 1 1 7.982 14.180 10.050 0.00 1.00 -ATOM 671 CAp TOP 1 1 7.982 14.180 13.400 0.00 1.00 -ATOM 672 CAq TOP 1 1 7.982 14.180 16.750 0.00 1.00 -ATOM 673 CAr TOP 1 1 26.402 16.306 10.050 0.00 1.00 -ATOM 674 CAs TOP 1 1 26.402 16.306 13.400 0.00 1.00 -ATOM 675 CAt TOP 1 1 26.402 16.306 16.750 0.00 1.00 -ATOM 676 CAu TOP 1 1 25.174 18.433 10.050 0.00 1.00 -ATOM 677 CAv TOP 1 1 25.174 18.433 13.400 0.00 1.00 -ATOM 678 CAw TOP 1 1 25.174 18.433 16.750 0.00 1.00 -ATOM 679 CAx TOP 1 1 23.946 20.560 10.050 0.00 1.00 -ATOM 680 CAy TOP 1 1 23.946 20.560 13.400 0.00 1.00 -ATOM 681 CAz TOP 1 1 23.946 20.560 16.750 0.00 1.00 -ATOM 682 CB0 TOP 1 1 22.718 22.687 10.050 0.00 1.00 -ATOM 683 CB1 TOP 1 1 22.718 22.687 13.400 0.00 1.00 -ATOM 684 CB2 TOP 1 1 22.718 22.687 16.750 0.00 1.00 -ATOM 685 CB3 TOP 1 1 21.490 24.814 10.050 0.00 1.00 -ATOM 686 CB4 TOP 1 1 21.490 24.814 13.400 0.00 1.00 -ATOM 687 CB5 TOP 1 1 21.490 24.814 16.750 0.00 1.00 -ATOM 688 CB6 TOP 1 1 20.262 26.941 10.050 0.00 1.00 -ATOM 689 CB7 TOP 1 1 20.262 26.941 13.400 0.00 1.00 -ATOM 690 CB8 TOP 1 1 20.262 26.941 16.750 0.00 1.00 -ATOM 691 CB9 TOP 1 1 19.034 29.068 10.050 0.00 1.00 -ATOM 692 CBA TOP 1 1 19.034 29.068 13.400 0.00 1.00 -ATOM 693 CBB TOP 1 1 19.034 29.068 16.750 0.00 1.00 -ATOM 694 CBC TOP 1 1 17.806 1.418 10.050 0.00 1.00 -ATOM 695 CBD TOP 1 1 17.806 1.418 13.400 0.00 1.00 -ATOM 696 CBE TOP 1 1 17.806 1.418 16.750 0.00 1.00 -ATOM 697 CBF TOP 1 1 16.578 3.545 10.050 0.00 1.00 -ATOM 698 CBG TOP 1 1 16.578 3.545 13.400 0.00 1.00 -ATOM 699 CBH TOP 1 1 16.578 3.545 16.750 0.00 1.00 -ATOM 700 CBI TOP 1 1 15.350 5.672 10.050 0.00 1.00 -ATOM 701 CBJ TOP 1 1 15.350 5.672 13.400 0.00 1.00 -ATOM 702 CBK TOP 1 1 15.350 5.672 16.750 0.00 1.00 -ATOM 703 CBL TOP 1 1 14.122 7.799 10.050 0.00 1.00 -ATOM 704 CBM TOP 1 1 14.122 7.799 13.400 0.00 1.00 -ATOM 705 CBN TOP 1 1 14.122 7.799 16.750 0.00 1.00 -ATOM 706 CBO TOP 1 1 12.894 9.926 10.050 0.00 1.00 -ATOM 707 CBP TOP 1 1 12.894 9.926 13.400 0.00 1.00 -ATOM 708 CBQ TOP 1 1 12.894 9.926 16.750 0.00 1.00 -ATOM 709 CBR TOP 1 1 11.666 12.053 10.050 0.00 1.00 -ATOM 710 CBS TOP 1 1 11.666 12.053 13.400 0.00 1.00 -ATOM 711 CBT TOP 1 1 11.666 12.053 16.750 0.00 1.00 -ATOM 712 CBU TOP 1 1 10.438 14.180 10.050 0.00 1.00 -ATOM 713 CBV TOP 1 1 10.438 14.180 13.400 0.00 1.00 -ATOM 714 CBW TOP 1 1 10.438 14.180 16.750 0.00 1.00 -ATOM 715 CBX TOP 1 1 28.858 16.306 10.050 0.00 1.00 -ATOM 716 CBY TOP 1 1 28.858 16.306 13.400 0.00 1.00 -ATOM 717 CBZ TOP 1 1 28.858 16.306 16.750 0.00 1.00 -ATOM 718 CBa TOP 1 1 27.630 18.433 10.050 0.00 1.00 -ATOM 719 CBb TOP 1 1 27.630 18.433 13.400 0.00 1.00 -ATOM 720 CBc TOP 1 1 27.630 18.433 16.750 0.00 1.00 -ATOM 721 CBd TOP 1 1 26.402 20.560 10.050 0.00 1.00 -ATOM 722 CBe TOP 1 1 26.402 20.560 13.400 0.00 1.00 -ATOM 723 CBf TOP 1 1 26.402 20.560 16.750 0.00 1.00 -ATOM 724 CBg TOP 1 1 25.174 22.687 10.050 0.00 1.00 -ATOM 725 CBh TOP 1 1 25.174 22.687 13.400 0.00 1.00 -ATOM 726 CBi TOP 1 1 25.174 22.687 16.750 0.00 1.00 -ATOM 727 CBj TOP 1 1 23.946 24.814 10.050 0.00 1.00 -ATOM 728 CBk TOP 1 1 23.946 24.814 13.400 0.00 1.00 -ATOM 729 CBl TOP 1 1 23.946 24.814 16.750 0.00 1.00 -ATOM 730 CBm TOP 1 1 22.718 26.941 10.050 0.00 1.00 -ATOM 731 CBn TOP 1 1 22.718 26.941 13.400 0.00 1.00 -ATOM 732 CBo TOP 1 1 22.718 26.941 16.750 0.00 1.00 -ATOM 733 CBp TOP 1 1 21.490 29.068 10.050 0.00 1.00 -ATOM 734 CBq TOP 1 1 21.490 29.068 13.400 0.00 1.00 -ATOM 735 CBr TOP 1 1 21.490 29.068 16.750 0.00 1.00 -ATOM 736 CBs TOP 1 1 20.262 1.418 10.050 0.00 1.00 -ATOM 737 CBt TOP 1 1 20.262 1.418 13.400 0.00 1.00 -ATOM 738 CBu TOP 1 1 20.262 1.418 16.750 0.00 1.00 -ATOM 739 CBv TOP 1 1 19.034 3.545 10.050 0.00 1.00 -ATOM 740 CBw TOP 1 1 19.034 3.545 13.400 0.00 1.00 -ATOM 741 CBx TOP 1 1 19.034 3.545 16.750 0.00 1.00 -ATOM 742 CBy TOP 1 1 17.806 5.672 10.050 0.00 1.00 -ATOM 743 CBz TOP 1 1 17.806 5.672 13.400 0.00 1.00 -ATOM 744 CC0 TOP 1 1 17.806 5.672 16.750 0.00 1.00 -ATOM 745 CC1 TOP 1 1 16.578 7.799 10.050 0.00 1.00 -ATOM 746 CC2 TOP 1 1 16.578 7.799 13.400 0.00 1.00 -ATOM 747 CC3 TOP 1 1 16.578 7.799 16.750 0.00 1.00 -ATOM 748 CC4 TOP 1 1 15.350 9.926 10.050 0.00 1.00 -ATOM 749 CC5 TOP 1 1 15.350 9.926 13.400 0.00 1.00 -ATOM 750 CC6 TOP 1 1 15.350 9.926 16.750 0.00 1.00 -ATOM 751 CC7 TOP 1 1 14.122 12.053 10.050 0.00 1.00 -ATOM 752 CC8 TOP 1 1 14.122 12.053 13.400 0.00 1.00 -ATOM 753 CC9 TOP 1 1 14.122 12.053 16.750 0.00 1.00 -ATOM 754 CCA TOP 1 1 12.894 14.180 10.050 0.00 1.00 -ATOM 755 CCB TOP 1 1 12.894 14.180 13.400 0.00 1.00 -ATOM 756 CCC TOP 1 1 12.894 14.180 16.750 0.00 1.00 -ATOM 757 CCD TOP 1 1 1.842 16.306 10.050 0.00 1.00 -ATOM 758 CCE TOP 1 1 1.842 16.306 13.400 0.00 1.00 -ATOM 759 CCF TOP 1 1 1.842 16.306 16.750 0.00 1.00 -ATOM 760 CCG TOP 1 1 0.614 18.433 10.050 0.00 1.00 -ATOM 761 CCH TOP 1 1 0.614 18.433 13.400 0.00 1.00 -ATOM 762 CCI TOP 1 1 0.614 18.433 16.750 0.00 1.00 -ATOM 763 CCJ TOP 1 1 28.858 20.560 10.050 0.00 1.00 -ATOM 764 CCK TOP 1 1 28.858 20.560 13.400 0.00 1.00 -ATOM 765 CCL TOP 1 1 28.858 20.560 16.750 0.00 1.00 -ATOM 766 CCM TOP 1 1 27.630 22.687 10.050 0.00 1.00 -ATOM 767 CCN TOP 1 1 27.630 22.687 13.400 0.00 1.00 -ATOM 768 CCO TOP 1 1 27.630 22.687 16.750 0.00 1.00 -ATOM 769 CCP TOP 1 1 26.402 24.814 10.050 0.00 1.00 -ATOM 770 CCQ TOP 1 1 26.402 24.814 13.400 0.00 1.00 -ATOM 771 CCR TOP 1 1 26.402 24.814 16.750 0.00 1.00 -ATOM 772 CCS TOP 1 1 25.174 26.941 10.050 0.00 1.00 -ATOM 773 CCT TOP 1 1 25.174 26.941 13.400 0.00 1.00 -ATOM 774 CCU TOP 1 1 25.174 26.941 16.750 0.00 1.00 -ATOM 775 CCV TOP 1 1 23.946 29.068 10.050 0.00 1.00 -ATOM 776 CCW TOP 1 1 23.946 29.068 13.400 0.00 1.00 -ATOM 777 CCX TOP 1 1 23.946 29.068 16.750 0.00 1.00 -ATOM 778 CCY TOP 1 1 22.718 1.418 10.050 0.00 1.00 -ATOM 779 CCZ TOP 1 1 22.718 1.418 13.400 0.00 1.00 -ATOM 780 CCa TOP 1 1 22.718 1.418 16.750 0.00 1.00 -ATOM 781 CCb TOP 1 1 21.490 3.545 10.050 0.00 1.00 -ATOM 782 CCc TOP 1 1 21.490 3.545 13.400 0.00 1.00 -ATOM 783 CCd TOP 1 1 21.490 3.545 16.750 0.00 1.00 -ATOM 784 CCe TOP 1 1 20.262 5.672 10.050 0.00 1.00 -ATOM 785 CCf TOP 1 1 20.262 5.672 13.400 0.00 1.00 -ATOM 786 CCg TOP 1 1 20.262 5.672 16.750 0.00 1.00 -ATOM 787 CCh TOP 1 1 19.034 7.799 10.050 0.00 1.00 -ATOM 788 CCi TOP 1 1 19.034 7.799 13.400 0.00 1.00 -ATOM 789 CCj TOP 1 1 19.034 7.799 16.750 0.00 1.00 -ATOM 790 CCk TOP 1 1 17.806 9.926 10.050 0.00 1.00 -ATOM 791 CCl TOP 1 1 17.806 9.926 13.400 0.00 1.00 -ATOM 792 CCm TOP 1 1 17.806 9.926 16.750 0.00 1.00 -ATOM 793 CCn TOP 1 1 16.578 12.053 10.050 0.00 1.00 -ATOM 794 CCo TOP 1 1 16.578 12.053 13.400 0.00 1.00 -ATOM 795 CCp TOP 1 1 16.578 12.053 16.750 0.00 1.00 -ATOM 796 CCq TOP 1 1 15.350 14.180 10.050 0.00 1.00 -ATOM 797 CCr TOP 1 1 15.350 14.180 13.400 0.00 1.00 -ATOM 798 CCs TOP 1 1 15.350 14.180 16.750 0.00 1.00 -ATOM 799 CCt TOP 1 1 4.298 16.306 10.050 0.00 1.00 -ATOM 800 CCu TOP 1 1 4.298 16.306 13.400 0.00 1.00 -ATOM 801 CCv TOP 1 1 4.298 16.306 16.750 0.00 1.00 -ATOM 802 CCw TOP 1 1 3.070 18.433 10.050 0.00 1.00 -ATOM 803 CCx TOP 1 1 3.070 18.433 13.400 0.00 1.00 -ATOM 804 CCy TOP 1 1 3.070 18.433 16.750 0.00 1.00 -ATOM 805 CCz TOP 1 1 1.842 20.560 10.050 0.00 1.00 -ATOM 806 CD0 TOP 1 1 1.842 20.560 13.400 0.00 1.00 -ATOM 807 CD1 TOP 1 1 1.842 20.560 16.750 0.00 1.00 -ATOM 808 CD2 TOP 1 1 0.614 22.687 10.050 0.00 1.00 -ATOM 809 CD3 TOP 1 1 0.614 22.687 13.400 0.00 1.00 -ATOM 810 CD4 TOP 1 1 0.614 22.687 16.750 0.00 1.00 -ATOM 811 CD5 TOP 1 1 28.858 24.814 10.050 0.00 1.00 -ATOM 812 CD6 TOP 1 1 28.858 24.814 13.400 0.00 1.00 -ATOM 813 CD7 TOP 1 1 28.858 24.814 16.750 0.00 1.00 -ATOM 814 CD8 TOP 1 1 27.630 26.941 10.050 0.00 1.00 -ATOM 815 CD9 TOP 1 1 27.630 26.941 13.400 0.00 1.00 -ATOM 816 CDA TOP 1 1 27.630 26.941 16.750 0.00 1.00 -ATOM 817 CDB TOP 1 1 26.402 29.068 10.050 0.00 1.00 -ATOM 818 CDC TOP 1 1 26.402 29.068 13.400 0.00 1.00 -ATOM 819 CDD TOP 1 1 26.402 29.068 16.750 0.00 1.00 -ATOM 820 CDE TOP 1 1 25.174 1.418 10.050 0.00 1.00 -ATOM 821 CDF TOP 1 1 25.174 1.418 13.400 0.00 1.00 -ATOM 822 CDG TOP 1 1 25.174 1.418 16.750 0.00 1.00 -ATOM 823 CDH TOP 1 1 23.946 3.545 10.050 0.00 1.00 -ATOM 824 CDI TOP 1 1 23.946 3.545 13.400 0.00 1.00 -ATOM 825 CDJ TOP 1 1 23.946 3.545 16.750 0.00 1.00 -ATOM 826 CDK TOP 1 1 22.718 5.672 10.050 0.00 1.00 -ATOM 827 CDL TOP 1 1 22.718 5.672 13.400 0.00 1.00 -ATOM 828 CDM TOP 1 1 22.718 5.672 16.750 0.00 1.00 -ATOM 829 CDN TOP 1 1 21.490 7.799 10.050 0.00 1.00 -ATOM 830 CDO TOP 1 1 21.490 7.799 13.400 0.00 1.00 -ATOM 831 CDP TOP 1 1 21.490 7.799 16.750 0.00 1.00 -ATOM 832 CDQ TOP 1 1 20.262 9.926 10.050 0.00 1.00 -ATOM 833 CDR TOP 1 1 20.262 9.926 13.400 0.00 1.00 -ATOM 834 CDS TOP 1 1 20.262 9.926 16.750 0.00 1.00 -ATOM 835 CDT TOP 1 1 19.034 12.053 10.050 0.00 1.00 -ATOM 836 CDU TOP 1 1 19.034 12.053 13.400 0.00 1.00 -ATOM 837 CDV TOP 1 1 19.034 12.053 16.750 0.00 1.00 -ATOM 838 CDW TOP 1 1 17.806 14.180 10.050 0.00 1.00 -ATOM 839 CDX TOP 1 1 17.806 14.180 13.400 0.00 1.00 -ATOM 840 CDY TOP 1 1 17.806 14.180 16.750 0.00 1.00 -ATOM 841 CDZ TOP 1 1 6.754 16.306 10.050 0.00 1.00 -ATOM 842 CDa TOP 1 1 6.754 16.306 13.400 0.00 1.00 -ATOM 843 CDb TOP 1 1 6.754 16.306 16.750 0.00 1.00 -ATOM 844 CDc TOP 1 1 5.526 18.433 10.050 0.00 1.00 -ATOM 845 CDd TOP 1 1 5.526 18.433 13.400 0.00 1.00 -ATOM 846 CDe TOP 1 1 5.526 18.433 16.750 0.00 1.00 -ATOM 847 CDf TOP 1 1 4.298 20.560 10.050 0.00 1.00 -ATOM 848 CDg TOP 1 1 4.298 20.560 13.400 0.00 1.00 -ATOM 849 CDh TOP 1 1 4.298 20.560 16.750 0.00 1.00 -ATOM 850 CDi TOP 1 1 3.070 22.687 10.050 0.00 1.00 -ATOM 851 CDj TOP 1 1 3.070 22.687 13.400 0.00 1.00 -ATOM 852 CDk TOP 1 1 3.070 22.687 16.750 0.00 1.00 -ATOM 853 CDl TOP 1 1 1.842 24.814 10.050 0.00 1.00 -ATOM 854 CDm TOP 1 1 1.842 24.814 13.400 0.00 1.00 -ATOM 855 CDn TOP 1 1 1.842 24.814 16.750 0.00 1.00 -ATOM 856 CDo TOP 1 1 0.614 26.941 10.050 0.00 1.00 -ATOM 857 CDp TOP 1 1 0.614 26.941 13.400 0.00 1.00 -ATOM 858 CDq TOP 1 1 0.614 26.941 16.750 0.00 1.00 -ATOM 859 CDr TOP 1 1 28.858 29.068 10.050 0.00 1.00 -ATOM 860 CDs TOP 1 1 28.858 29.068 13.400 0.00 1.00 -ATOM 861 CDt TOP 1 1 28.858 29.068 16.750 0.00 1.00 -ATOM 862 CDu TOP 1 1 27.630 1.418 10.050 0.00 1.00 -ATOM 863 CDv TOP 1 1 27.630 1.418 13.400 0.00 1.00 -ATOM 864 CDw TOP 1 1 27.630 1.418 16.750 0.00 1.00 -ATOM 865 CDx TOP 1 1 26.402 3.545 10.050 0.00 1.00 -ATOM 866 CDy TOP 1 1 26.402 3.545 13.400 0.00 1.00 -ATOM 867 CDz TOP 1 1 26.402 3.545 16.750 0.00 1.00 -ATOM 868 CE0 TOP 1 1 25.174 5.672 10.050 0.00 1.00 -ATOM 869 CE1 TOP 1 1 25.174 5.672 13.400 0.00 1.00 -ATOM 870 CE2 TOP 1 1 25.174 5.672 16.750 0.00 1.00 -ATOM 871 CE3 TOP 1 1 23.946 7.799 10.050 0.00 1.00 -ATOM 872 CE4 TOP 1 1 23.946 7.799 13.400 0.00 1.00 -ATOM 873 CE5 TOP 1 1 23.946 7.799 16.750 0.00 1.00 -ATOM 874 CE6 TOP 1 1 22.718 9.926 10.050 0.00 1.00 -ATOM 875 CE7 TOP 1 1 22.718 9.926 13.400 0.00 1.00 -ATOM 876 CE8 TOP 1 1 22.718 9.926 16.750 0.00 1.00 -ATOM 877 CE9 TOP 1 1 21.490 12.053 10.050 0.00 1.00 -ATOM 878 CEA TOP 1 1 21.490 12.053 13.400 0.00 1.00 -ATOM 879 CEB TOP 1 1 21.490 12.053 16.750 0.00 1.00 -ATOM 880 CEC TOP 1 1 20.262 14.180 10.050 0.00 1.00 -ATOM 881 CED TOP 1 1 20.262 14.180 13.400 0.00 1.00 -ATOM 882 CEE TOP 1 1 20.262 14.180 16.750 0.00 1.00 -ATOM 883 CEF TOP 1 1 9.210 16.306 10.050 0.00 1.00 -ATOM 884 CEG TOP 1 1 9.210 16.306 13.400 0.00 1.00 -ATOM 885 CEH TOP 1 1 9.210 16.306 16.750 0.00 1.00 -ATOM 886 CEI TOP 1 1 7.982 18.433 10.050 0.00 1.00 -ATOM 887 CEJ TOP 1 1 7.982 18.433 13.400 0.00 1.00 -ATOM 888 CEK TOP 1 1 7.982 18.433 16.750 0.00 1.00 -ATOM 889 CEL TOP 1 1 6.754 20.560 10.050 0.00 1.00 -ATOM 890 CEM TOP 1 1 6.754 20.560 13.400 0.00 1.00 -ATOM 891 CEN TOP 1 1 6.754 20.560 16.750 0.00 1.00 -ATOM 892 CEO TOP 1 1 5.526 22.687 10.050 0.00 1.00 -ATOM 893 CEP TOP 1 1 5.526 22.687 13.400 0.00 1.00 -ATOM 894 CEQ TOP 1 1 5.526 22.687 16.750 0.00 1.00 -ATOM 895 CER TOP 1 1 4.298 24.814 10.050 0.00 1.00 -ATOM 896 CES TOP 1 1 4.298 24.814 13.400 0.00 1.00 -ATOM 897 CET TOP 1 1 4.298 24.814 16.750 0.00 1.00 -ATOM 898 CEU TOP 1 1 3.070 26.941 10.050 0.00 1.00 -ATOM 899 CEV TOP 1 1 3.070 26.941 13.400 0.00 1.00 -ATOM 900 CEW TOP 1 1 3.070 26.941 16.750 0.00 1.00 -ATOM 901 CEX TOP 1 1 1.842 29.068 10.050 0.00 1.00 -ATOM 902 CEY TOP 1 1 1.842 29.068 13.400 0.00 1.00 -ATOM 903 CEZ TOP 1 1 1.842 29.068 16.750 0.00 1.00 -ATOM 904 CEa TOP 1 1 0.614 1.418 10.050 0.00 1.00 -ATOM 905 CEb TOP 1 1 0.614 1.418 13.400 0.00 1.00 -ATOM 906 CEc TOP 1 1 0.614 1.418 16.750 0.00 1.00 -ATOM 907 CEd TOP 1 1 28.858 3.545 10.050 0.00 1.00 -ATOM 908 CEe TOP 1 1 28.858 3.545 13.400 0.00 1.00 -ATOM 909 CEf TOP 1 1 28.858 3.545 16.750 0.00 1.00 -ATOM 910 CEg TOP 1 1 27.630 5.672 10.050 0.00 1.00 -ATOM 911 CEh TOP 1 1 27.630 5.672 13.400 0.00 1.00 -ATOM 912 CEi TOP 1 1 27.630 5.672 16.750 0.00 1.00 -ATOM 913 CEj TOP 1 1 26.402 7.799 10.050 0.00 1.00 -ATOM 914 CEk TOP 1 1 26.402 7.799 13.400 0.00 1.00 -ATOM 915 CEl TOP 1 1 26.402 7.799 16.750 0.00 1.00 -ATOM 916 CEm TOP 1 1 25.174 9.926 10.050 0.00 1.00 -ATOM 917 CEn TOP 1 1 25.174 9.926 13.400 0.00 1.00 -ATOM 918 CEo TOP 1 1 25.174 9.926 16.750 0.00 1.00 -ATOM 919 CEp TOP 1 1 23.946 12.053 10.050 0.00 1.00 -ATOM 920 CEq TOP 1 1 23.946 12.053 13.400 0.00 1.00 -ATOM 921 CEr TOP 1 1 23.946 12.053 16.750 0.00 1.00 -ATOM 922 CEs TOP 1 1 22.718 14.180 10.050 0.00 1.00 -ATOM 923 CEt TOP 1 1 22.718 14.180 13.400 0.00 1.00 -ATOM 924 CEu TOP 1 1 22.718 14.180 16.750 0.00 1.00 -ATOM 925 CEv TOP 1 1 11.666 16.306 10.050 0.00 1.00 -ATOM 926 CEw TOP 1 1 11.666 16.306 13.400 0.00 1.00 -ATOM 927 CEx TOP 1 1 11.666 16.306 16.750 0.00 1.00 -ATOM 928 CEy TOP 1 1 10.438 18.433 10.050 0.00 1.00 -ATOM 929 CEz TOP 1 1 10.438 18.433 13.400 0.00 1.00 -ATOM 930 CF0 TOP 1 1 10.438 18.433 16.750 0.00 1.00 -ATOM 931 CF1 TOP 1 1 9.210 20.560 10.050 0.00 1.00 -ATOM 932 CF2 TOP 1 1 9.210 20.560 13.400 0.00 1.00 -ATOM 933 CF3 TOP 1 1 9.210 20.560 16.750 0.00 1.00 -ATOM 934 CF4 TOP 1 1 7.982 22.687 10.050 0.00 1.00 -ATOM 935 CF5 TOP 1 1 7.982 22.687 13.400 0.00 1.00 -ATOM 936 CF6 TOP 1 1 7.982 22.687 16.750 0.00 1.00 -ATOM 937 CF7 TOP 1 1 6.754 24.814 10.050 0.00 1.00 -ATOM 938 CF8 TOP 1 1 6.754 24.814 13.400 0.00 1.00 -ATOM 939 CF9 TOP 1 1 6.754 24.814 16.750 0.00 1.00 -ATOM 940 CFA TOP 1 1 5.526 26.941 10.050 0.00 1.00 -ATOM 941 CFB TOP 1 1 5.526 26.941 13.400 0.00 1.00 -ATOM 942 CFC TOP 1 1 5.526 26.941 16.750 0.00 1.00 -ATOM 943 CFD TOP 1 1 4.298 29.068 10.050 0.00 1.00 -ATOM 944 CFE TOP 1 1 4.298 29.068 13.400 0.00 1.00 -ATOM 945 CFF TOP 1 1 4.298 29.068 16.750 0.00 1.00 -ATOM 946 CFG TOP 1 1 3.070 1.418 10.050 0.00 1.00 -ATOM 947 CFH TOP 1 1 3.070 1.418 13.400 0.00 1.00 -ATOM 948 CFI TOP 1 1 3.070 1.418 16.750 0.00 1.00 -ATOM 949 CFJ TOP 1 1 1.842 3.545 10.050 0.00 1.00 -ATOM 950 CFK TOP 1 1 1.842 3.545 13.400 0.00 1.00 -ATOM 951 CFL TOP 1 1 1.842 3.545 16.750 0.00 1.00 -ATOM 952 CFM TOP 1 1 0.614 5.672 10.050 0.00 1.00 -ATOM 953 CFN TOP 1 1 0.614 5.672 13.400 0.00 1.00 -ATOM 954 CFO TOP 1 1 0.614 5.672 16.750 0.00 1.00 -ATOM 955 CFP TOP 1 1 28.858 7.799 10.050 0.00 1.00 -ATOM 956 CFQ TOP 1 1 28.858 7.799 13.400 0.00 1.00 -ATOM 957 CFR TOP 1 1 28.858 7.799 16.750 0.00 1.00 -ATOM 958 CFS TOP 1 1 27.630 9.926 10.050 0.00 1.00 -ATOM 959 CFT TOP 1 1 27.630 9.926 13.400 0.00 1.00 -ATOM 960 CFU TOP 1 1 27.630 9.926 16.750 0.00 1.00 -ATOM 961 CFV TOP 1 1 26.402 12.053 10.050 0.00 1.00 -ATOM 962 CFW TOP 1 1 26.402 12.053 13.400 0.00 1.00 -ATOM 963 CFX TOP 1 1 26.402 12.053 16.750 0.00 1.00 -ATOM 964 CFY TOP 1 1 25.174 14.180 10.050 0.00 1.00 -ATOM 965 CFZ TOP 1 1 25.174 14.180 13.400 0.00 1.00 -ATOM 966 CFa TOP 1 1 25.174 14.180 16.750 0.00 1.00 -ATOM 967 CFb TOP 1 1 14.122 16.306 10.050 0.00 1.00 -ATOM 968 CFc TOP 1 1 14.122 16.306 13.400 0.00 1.00 -ATOM 969 CFd TOP 1 1 14.122 16.306 16.750 0.00 1.00 -ATOM 970 CFe TOP 1 1 12.894 18.433 10.050 0.00 1.00 -ATOM 971 CFf TOP 1 1 12.894 18.433 13.400 0.00 1.00 -ATOM 972 CFg TOP 1 1 12.894 18.433 16.750 0.00 1.00 -ATOM 973 CFh TOP 1 1 11.666 20.560 10.050 0.00 1.00 -ATOM 974 CFi TOP 1 1 11.666 20.560 13.400 0.00 1.00 -ATOM 975 CFj TOP 1 1 11.666 20.560 16.750 0.00 1.00 -ATOM 976 CFk TOP 1 1 10.438 22.687 10.050 0.00 1.00 -ATOM 977 CFl TOP 1 1 10.438 22.687 13.400 0.00 1.00 -ATOM 978 CFm TOP 1 1 10.438 22.687 16.750 0.00 1.00 -ATOM 979 CFn TOP 1 1 9.210 24.814 10.050 0.00 1.00 -ATOM 980 CFo TOP 1 1 9.210 24.814 13.400 0.00 1.00 -ATOM 981 CFp TOP 1 1 9.210 24.814 16.750 0.00 1.00 -ATOM 982 CFq TOP 1 1 7.982 26.941 10.050 0.00 1.00 -ATOM 983 CFr TOP 1 1 7.982 26.941 13.400 0.00 1.00 -ATOM 984 CFs TOP 1 1 7.982 26.941 16.750 0.00 1.00 -ATOM 985 CFt TOP 1 1 6.754 29.068 10.050 0.00 1.00 -ATOM 986 CFu TOP 1 1 6.754 29.068 13.400 0.00 1.00 -ATOM 987 CFv TOP 1 1 6.754 29.068 16.750 0.00 1.00 -ATOM 988 CFw TOP 1 1 5.526 1.418 10.050 0.00 1.00 -ATOM 989 CFx TOP 1 1 5.526 1.418 13.400 0.00 1.00 -ATOM 990 CFy TOP 1 1 5.526 1.418 16.750 0.00 1.00 -ATOM 991 CFz TOP 1 1 4.298 3.545 10.050 0.00 1.00 -ATOM 992 CG0 TOP 1 1 4.298 3.545 13.400 0.00 1.00 -ATOM 993 CG1 TOP 1 1 4.298 3.545 16.750 0.00 1.00 -ATOM 994 CG2 TOP 1 1 3.070 5.672 10.050 0.00 1.00 -ATOM 995 CG3 TOP 1 1 3.070 5.672 13.400 0.00 1.00 -ATOM 996 CG4 TOP 1 1 3.070 5.672 16.750 0.00 1.00 -ATOM 997 CG5 TOP 1 1 1.842 7.799 10.050 0.00 1.00 -ATOM 998 CG6 TOP 1 1 1.842 7.799 13.400 0.00 1.00 -ATOM 999 CG7 TOP 1 1 1.842 7.799 16.750 0.00 1.00 -ATOM 1000 CG8 TOP 1 1 0.614 9.926 10.050 0.00 1.00 -ATOM 1001 CG9 TOP 1 1 0.614 9.926 13.400 0.00 1.00 -ATOM 1002 CGA TOP 1 1 0.614 9.926 16.750 0.00 1.00 -ATOM 1003 CGB TOP 1 1 28.858 12.053 10.050 0.00 1.00 -ATOM 1004 CGC TOP 1 1 28.858 12.053 13.400 0.00 1.00 -ATOM 1005 CGD TOP 1 1 28.858 12.053 16.750 0.00 1.00 -ATOM 1006 CGE TOP 1 1 27.630 14.180 10.050 0.00 1.00 -ATOM 1007 CGF TOP 1 1 27.630 14.180 13.400 0.00 1.00 -ATOM 1008 CGG TOP 1 1 27.630 14.180 16.750 0.00 1.00 -ATOM 1009 C1 BOT 1 2 15.350 15.597 0.000 0.00 1.00 -ATOM 1010 C2 BOT 1 2 15.350 15.597 3.350 0.00 1.00 -ATOM 1011 C3 BOT 1 2 15.350 15.597 6.700 0.00 1.00 -ATOM 1012 C4 BOT 1 2 14.122 17.724 0.000 0.00 1.00 -ATOM 1013 C5 BOT 1 2 14.122 17.724 3.350 0.00 1.00 -ATOM 1014 C6 BOT 1 2 14.122 17.724 6.700 0.00 1.00 -ATOM 1015 C7 BOT 1 2 12.894 19.851 0.000 0.00 1.00 -ATOM 1016 C8 BOT 1 2 12.894 19.851 3.350 0.00 1.00 -ATOM 1017 C9 BOT 1 2 12.894 19.851 6.700 0.00 1.00 -ATOM 1018 CA BOT 1 2 11.666 21.978 0.000 0.00 1.00 -ATOM 1019 CB BOT 1 2 11.666 21.978 3.350 0.00 1.00 -ATOM 1020 CC BOT 1 2 11.666 21.978 6.700 0.00 1.00 -ATOM 1021 CD BOT 1 2 10.438 24.105 0.000 0.00 1.00 -ATOM 1022 CE BOT 1 2 10.438 24.105 3.350 0.00 1.00 -ATOM 1023 CF BOT 1 2 10.438 24.105 6.700 0.00 1.00 -ATOM 1024 CG BOT 1 2 9.210 26.232 0.000 0.00 1.00 -ATOM 1025 CH BOT 1 2 9.210 26.232 3.350 0.00 1.00 -ATOM 1026 CI BOT 1 2 9.210 26.232 6.700 0.00 1.00 -ATOM 1027 CJ BOT 1 2 7.982 28.359 0.000 0.00 1.00 -ATOM 1028 CK BOT 1 2 7.982 28.359 3.350 0.00 1.00 -ATOM 1029 CL BOT 1 2 7.982 28.359 6.700 0.00 1.00 -ATOM 1030 CM BOT 1 2 6.754 0.709 0.000 0.00 1.00 -ATOM 1031 CN BOT 1 2 6.754 0.709 3.350 0.00 1.00 -ATOM 1032 CO BOT 1 2 6.754 0.709 6.700 0.00 1.00 -ATOM 1033 CP BOT 1 2 5.526 2.836 0.000 0.00 1.00 -ATOM 1034 CQ BOT 1 2 5.526 2.836 3.350 0.00 1.00 -ATOM 1035 CR BOT 1 2 5.526 2.836 6.700 0.00 1.00 -ATOM 1036 CS BOT 1 2 4.298 4.963 0.000 0.00 1.00 -ATOM 1037 CT BOT 1 2 4.298 4.963 3.350 0.00 1.00 -ATOM 1038 CU BOT 1 2 4.298 4.963 6.700 0.00 1.00 -ATOM 1039 CV BOT 1 2 3.070 7.090 0.000 0.00 1.00 -ATOM 1040 CW BOT 1 2 3.070 7.090 3.350 0.00 1.00 -ATOM 1041 CX BOT 1 2 3.070 7.090 6.700 0.00 1.00 -ATOM 1042 CY BOT 1 2 1.842 9.217 0.000 0.00 1.00 -ATOM 1043 CZ BOT 1 2 1.842 9.217 3.350 0.00 1.00 -ATOM 1044 Ca BOT 1 2 1.842 9.217 6.700 0.00 1.00 -ATOM 1045 Cb BOT 1 2 0.614 11.344 0.000 0.00 1.00 -ATOM 1046 Cc BOT 1 2 0.614 11.344 3.350 0.00 1.00 -ATOM 1047 Cd BOT 1 2 0.614 11.344 6.700 0.00 1.00 -ATOM 1048 Ce BOT 1 2 28.858 13.471 0.000 0.00 1.00 -ATOM 1049 Cf BOT 1 2 28.858 13.471 3.350 0.00 1.00 -ATOM 1050 Cg BOT 1 2 28.858 13.471 6.700 0.00 1.00 -ATOM 1051 Ch BOT 1 2 17.806 15.597 0.000 0.00 1.00 -ATOM 1052 Ci BOT 1 2 17.806 15.597 3.350 0.00 1.00 -ATOM 1053 Cj BOT 1 2 17.806 15.597 6.700 0.00 1.00 -ATOM 1054 Ck BOT 1 2 16.578 17.724 0.000 0.00 1.00 -ATOM 1055 Cl BOT 1 2 16.578 17.724 3.350 0.00 1.00 -ATOM 1056 Cm BOT 1 2 16.578 17.724 6.700 0.00 1.00 -ATOM 1057 Cn BOT 1 2 15.350 19.851 0.000 0.00 1.00 -ATOM 1058 Co BOT 1 2 15.350 19.851 3.350 0.00 1.00 -ATOM 1059 Cp BOT 1 2 15.350 19.851 6.700 0.00 1.00 -ATOM 1060 Cq BOT 1 2 14.122 21.978 0.000 0.00 1.00 -ATOM 1061 Cr BOT 1 2 14.122 21.978 3.350 0.00 1.00 -ATOM 1062 Cs BOT 1 2 14.122 21.978 6.700 0.00 1.00 -ATOM 1063 Ct BOT 1 2 12.894 24.105 0.000 0.00 1.00 -ATOM 1064 Cu BOT 1 2 12.894 24.105 3.350 0.00 1.00 -ATOM 1065 Cv BOT 1 2 12.894 24.105 6.700 0.00 1.00 -ATOM 1066 Cw BOT 1 2 11.666 26.232 0.000 0.00 1.00 -ATOM 1067 Cx BOT 1 2 11.666 26.232 3.350 0.00 1.00 -ATOM 1068 Cy BOT 1 2 11.666 26.232 6.700 0.00 1.00 -ATOM 1069 Cz BOT 1 2 10.438 28.359 0.000 0.00 1.00 -ATOM 1070 C10 BOT 1 2 10.438 28.359 3.350 0.00 1.00 -ATOM 1071 C11 BOT 1 2 10.438 28.359 6.700 0.00 1.00 -ATOM 1072 C12 BOT 1 2 9.210 0.709 0.000 0.00 1.00 -ATOM 1073 C13 BOT 1 2 9.210 0.709 3.350 0.00 1.00 -ATOM 1074 C14 BOT 1 2 9.210 0.709 6.700 0.00 1.00 -ATOM 1075 C15 BOT 1 2 7.982 2.836 0.000 0.00 1.00 -ATOM 1076 C16 BOT 1 2 7.982 2.836 3.350 0.00 1.00 -ATOM 1077 C17 BOT 1 2 7.982 2.836 6.700 0.00 1.00 -ATOM 1078 C18 BOT 1 2 6.754 4.963 0.000 0.00 1.00 -ATOM 1079 C19 BOT 1 2 6.754 4.963 3.350 0.00 1.00 -ATOM 1080 C1A BOT 1 2 6.754 4.963 6.700 0.00 1.00 -ATOM 1081 C1B BOT 1 2 5.526 7.090 0.000 0.00 1.00 -ATOM 1082 C1C BOT 1 2 5.526 7.090 3.350 0.00 1.00 -ATOM 1083 C1D BOT 1 2 5.526 7.090 6.700 0.00 1.00 -ATOM 1084 C1E BOT 1 2 4.298 9.217 0.000 0.00 1.00 -ATOM 1085 C1F BOT 1 2 4.298 9.217 3.350 0.00 1.00 -ATOM 1086 C1G BOT 1 2 4.298 9.217 6.700 0.00 1.00 -ATOM 1087 C1H BOT 1 2 3.070 11.344 0.000 0.00 1.00 -ATOM 1088 C1I BOT 1 2 3.070 11.344 3.350 0.00 1.00 -ATOM 1089 C1J BOT 1 2 3.070 11.344 6.700 0.00 1.00 -ATOM 1090 C1K BOT 1 2 1.842 13.471 0.000 0.00 1.00 -ATOM 1091 C1L BOT 1 2 1.842 13.471 3.350 0.00 1.00 -ATOM 1092 C1M BOT 1 2 1.842 13.471 6.700 0.00 1.00 -ATOM 1093 C1N BOT 1 2 20.262 15.597 0.000 0.00 1.00 -ATOM 1094 C1O BOT 1 2 20.262 15.597 3.350 0.00 1.00 -ATOM 1095 C1P BOT 1 2 20.262 15.597 6.700 0.00 1.00 -ATOM 1096 C1Q BOT 1 2 19.034 17.724 0.000 0.00 1.00 -ATOM 1097 C1R BOT 1 2 19.034 17.724 3.350 0.00 1.00 -ATOM 1098 C1S BOT 1 2 19.034 17.724 6.700 0.00 1.00 -ATOM 1099 C1T BOT 1 2 17.806 19.851 0.000 0.00 1.00 -ATOM 1100 C1U BOT 1 2 17.806 19.851 3.350 0.00 1.00 -ATOM 1101 C1V BOT 1 2 17.806 19.851 6.700 0.00 1.00 -ATOM 1102 C1W BOT 1 2 16.578 21.978 0.000 0.00 1.00 -ATOM 1103 C1X BOT 1 2 16.578 21.978 3.350 0.00 1.00 -ATOM 1104 C1Y BOT 1 2 16.578 21.978 6.700 0.00 1.00 -ATOM 1105 C1Z BOT 1 2 15.350 24.105 0.000 0.00 1.00 -ATOM 1106 C1a BOT 1 2 15.350 24.105 3.350 0.00 1.00 -ATOM 1107 C1b BOT 1 2 15.350 24.105 6.700 0.00 1.00 -ATOM 1108 C1c BOT 1 2 14.122 26.232 0.000 0.00 1.00 -ATOM 1109 C1d BOT 1 2 14.122 26.232 3.350 0.00 1.00 -ATOM 1110 C1e BOT 1 2 14.122 26.232 6.700 0.00 1.00 -ATOM 1111 C1f BOT 1 2 12.894 28.359 0.000 0.00 1.00 -ATOM 1112 C1g BOT 1 2 12.894 28.359 3.350 0.00 1.00 -ATOM 1113 C1h BOT 1 2 12.894 28.359 6.700 0.00 1.00 -ATOM 1114 C1i BOT 1 2 11.666 0.709 0.000 0.00 1.00 -ATOM 1115 C1j BOT 1 2 11.666 0.709 3.350 0.00 1.00 -ATOM 1116 C1k BOT 1 2 11.666 0.709 6.700 0.00 1.00 -ATOM 1117 C1l BOT 1 2 10.438 2.836 0.000 0.00 1.00 -ATOM 1118 C1m BOT 1 2 10.438 2.836 3.350 0.00 1.00 -ATOM 1119 C1n BOT 1 2 10.438 2.836 6.700 0.00 1.00 -ATOM 1120 C1o BOT 1 2 9.210 4.963 0.000 0.00 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C28 BOT 1 2 21.490 17.724 6.700 0.00 1.00 -ATOM 1141 C29 BOT 1 2 20.262 19.851 0.000 0.00 1.00 -ATOM 1142 C2A BOT 1 2 20.262 19.851 3.350 0.00 1.00 -ATOM 1143 C2B BOT 1 2 20.262 19.851 6.700 0.00 1.00 -ATOM 1144 C2C BOT 1 2 19.034 21.978 0.000 0.00 1.00 -ATOM 1145 C2D BOT 1 2 19.034 21.978 3.350 0.00 1.00 -ATOM 1146 C2E BOT 1 2 19.034 21.978 6.700 0.00 1.00 -ATOM 1147 C2F BOT 1 2 17.806 24.105 0.000 0.00 1.00 -ATOM 1148 C2G BOT 1 2 17.806 24.105 3.350 0.00 1.00 -ATOM 1149 C2H BOT 1 2 17.806 24.105 6.700 0.00 1.00 -ATOM 1150 C2I BOT 1 2 16.578 26.232 0.000 0.00 1.00 -ATOM 1151 C2J BOT 1 2 16.578 26.232 3.350 0.00 1.00 -ATOM 1152 C2K BOT 1 2 16.578 26.232 6.700 0.00 1.00 -ATOM 1153 C2L BOT 1 2 15.350 28.359 0.000 0.00 1.00 -ATOM 1154 C2M BOT 1 2 15.350 28.359 3.350 0.00 1.00 -ATOM 1155 C2N BOT 1 2 15.350 28.359 6.700 0.00 1.00 -ATOM 1156 C2O BOT 1 2 14.122 0.709 0.000 0.00 1.00 -ATOM 1157 C2P BOT 1 2 14.122 0.709 3.350 0.00 1.00 -ATOM 1158 C2Q BOT 1 2 14.122 0.709 6.700 0.00 1.00 -ATOM 1159 C2R BOT 1 2 12.894 2.836 0.000 0.00 1.00 -ATOM 1160 C2S BOT 1 2 12.894 2.836 3.350 0.00 1.00 -ATOM 1161 C2T BOT 1 2 12.894 2.836 6.700 0.00 1.00 -ATOM 1162 C2U BOT 1 2 11.666 4.963 0.000 0.00 1.00 -ATOM 1163 C2V BOT 1 2 11.666 4.963 3.350 0.00 1.00 -ATOM 1164 C2W BOT 1 2 11.666 4.963 6.700 0.00 1.00 -ATOM 1165 C2X BOT 1 2 10.438 7.090 0.000 0.00 1.00 -ATOM 1166 C2Y BOT 1 2 10.438 7.090 3.350 0.00 1.00 -ATOM 1167 C2Z BOT 1 2 10.438 7.090 6.700 0.00 1.00 -ATOM 1168 C2a BOT 1 2 9.210 9.217 0.000 0.00 1.00 -ATOM 1169 C2b BOT 1 2 9.210 9.217 3.350 0.00 1.00 -ATOM 1170 C2c BOT 1 2 9.210 9.217 6.700 0.00 1.00 -ATOM 1171 C2d BOT 1 2 7.982 11.344 0.000 0.00 1.00 -ATOM 1172 C2e BOT 1 2 7.982 11.344 3.350 0.00 1.00 -ATOM 1173 C2f BOT 1 2 7.982 11.344 6.700 0.00 1.00 -ATOM 1174 C2g BOT 1 2 6.754 13.471 0.000 0.00 1.00 -ATOM 1175 C2h BOT 1 2 6.754 13.471 3.350 0.00 1.00 -ATOM 1176 C2i BOT 1 2 6.754 13.471 6.700 0.00 1.00 -ATOM 1177 C2j BOT 1 2 25.174 15.597 0.000 0.00 1.00 -ATOM 1178 C2k BOT 1 2 25.174 15.597 3.350 0.00 1.00 -ATOM 1179 C2l BOT 1 2 25.174 15.597 6.700 0.00 1.00 -ATOM 1180 C2m BOT 1 2 23.946 17.724 0.000 0.00 1.00 -ATOM 1181 C2n BOT 1 2 23.946 17.724 3.350 0.00 1.00 -ATOM 1182 C2o BOT 1 2 23.946 17.724 6.700 0.00 1.00 -ATOM 1183 C2p BOT 1 2 22.718 19.851 0.000 0.00 1.00 -ATOM 1184 C2q BOT 1 2 22.718 19.851 3.350 0.00 1.00 -ATOM 1185 C2r BOT 1 2 22.718 19.851 6.700 0.00 1.00 -ATOM 1186 C2s BOT 1 2 21.490 21.978 0.000 0.00 1.00 -ATOM 1187 C2t BOT 1 2 21.490 21.978 3.350 0.00 1.00 -ATOM 1188 C2u BOT 1 2 21.490 21.978 6.700 0.00 1.00 -ATOM 1189 C2v BOT 1 2 20.262 24.105 0.000 0.00 1.00 -ATOM 1190 C2w BOT 1 2 20.262 24.105 3.350 0.00 1.00 -ATOM 1191 C2x BOT 1 2 20.262 24.105 6.700 0.00 1.00 -ATOM 1192 C2y BOT 1 2 19.034 26.232 0.000 0.00 1.00 -ATOM 1193 C2z BOT 1 2 19.034 26.232 3.350 0.00 1.00 -ATOM 1194 C30 BOT 1 2 19.034 26.232 6.700 0.00 1.00 -ATOM 1195 C31 BOT 1 2 17.806 28.359 0.000 0.00 1.00 -ATOM 1196 C32 BOT 1 2 17.806 28.359 3.350 0.00 1.00 -ATOM 1197 C33 BOT 1 2 17.806 28.359 6.700 0.00 1.00 -ATOM 1198 C34 BOT 1 2 16.578 0.709 0.000 0.00 1.00 -ATOM 1199 C35 BOT 1 2 16.578 0.709 3.350 0.00 1.00 -ATOM 1200 C36 BOT 1 2 16.578 0.709 6.700 0.00 1.00 -ATOM 1201 C37 BOT 1 2 15.350 2.836 0.000 0.00 1.00 -ATOM 1202 C38 BOT 1 2 15.350 2.836 3.350 0.00 1.00 -ATOM 1203 C39 BOT 1 2 15.350 2.836 6.700 0.00 1.00 -ATOM 1204 C3A BOT 1 2 14.122 4.963 0.000 0.00 1.00 -ATOM 1205 C3B BOT 1 2 14.122 4.963 3.350 0.00 1.00 -ATOM 1206 C3C BOT 1 2 14.122 4.963 6.700 0.00 1.00 -ATOM 1207 C3D BOT 1 2 12.894 7.090 0.000 0.00 1.00 -ATOM 1208 C3E BOT 1 2 12.894 7.090 3.350 0.00 1.00 -ATOM 1209 C3F BOT 1 2 12.894 7.090 6.700 0.00 1.00 -ATOM 1210 C3G BOT 1 2 11.666 9.217 0.000 0.00 1.00 -ATOM 1211 C3H BOT 1 2 11.666 9.217 3.350 0.00 1.00 -ATOM 1212 C3I BOT 1 2 11.666 9.217 6.700 0.00 1.00 -ATOM 1213 C3J BOT 1 2 10.438 11.344 0.000 0.00 1.00 -ATOM 1214 C3K BOT 1 2 10.438 11.344 3.350 0.00 1.00 -ATOM 1215 C3L BOT 1 2 10.438 11.344 6.700 0.00 1.00 -ATOM 1216 C3M BOT 1 2 9.210 13.471 0.000 0.00 1.00 -ATOM 1217 C3N BOT 1 2 9.210 13.471 3.350 0.00 1.00 -ATOM 1218 C3O BOT 1 2 9.210 13.471 6.700 0.00 1.00 -ATOM 1219 C3P BOT 1 2 27.630 15.597 0.000 0.00 1.00 -ATOM 1220 C3Q BOT 1 2 27.630 15.597 3.350 0.00 1.00 -ATOM 1221 C3R BOT 1 2 27.630 15.597 6.700 0.00 1.00 -ATOM 1222 C3S BOT 1 2 26.402 17.724 0.000 0.00 1.00 -ATOM 1223 C3T BOT 1 2 26.402 17.724 3.350 0.00 1.00 -ATOM 1224 C3U BOT 1 2 26.402 17.724 6.700 0.00 1.00 -ATOM 1225 C3V BOT 1 2 25.174 19.851 0.000 0.00 1.00 -ATOM 1226 C3W BOT 1 2 25.174 19.851 3.350 0.00 1.00 -ATOM 1227 C3X BOT 1 2 25.174 19.851 6.700 0.00 1.00 -ATOM 1228 C3Y BOT 1 2 23.946 21.978 0.000 0.00 1.00 -ATOM 1229 C3Z BOT 1 2 23.946 21.978 3.350 0.00 1.00 -ATOM 1230 C3a BOT 1 2 23.946 21.978 6.700 0.00 1.00 -ATOM 1231 C3b BOT 1 2 22.718 24.105 0.000 0.00 1.00 -ATOM 1232 C3c BOT 1 2 22.718 24.105 3.350 0.00 1.00 -ATOM 1233 C3d BOT 1 2 22.718 24.105 6.700 0.00 1.00 -ATOM 1234 C3e BOT 1 2 21.490 26.232 0.000 0.00 1.00 -ATOM 1235 C3f BOT 1 2 21.490 26.232 3.350 0.00 1.00 -ATOM 1236 C3g BOT 1 2 21.490 26.232 6.700 0.00 1.00 -ATOM 1237 C3h BOT 1 2 20.262 28.359 0.000 0.00 1.00 -ATOM 1238 C3i BOT 1 2 20.262 28.359 3.350 0.00 1.00 -ATOM 1239 C3j BOT 1 2 20.262 28.359 6.700 0.00 1.00 -ATOM 1240 C3k BOT 1 2 19.034 0.709 0.000 0.00 1.00 -ATOM 1241 C3l BOT 1 2 19.034 0.709 3.350 0.00 1.00 -ATOM 1242 C3m BOT 1 2 19.034 0.709 6.700 0.00 1.00 -ATOM 1243 C3n BOT 1 2 17.806 2.836 0.000 0.00 1.00 -ATOM 1244 C3o BOT 1 2 17.806 2.836 3.350 0.00 1.00 -ATOM 1245 C3p BOT 1 2 17.806 2.836 6.700 0.00 1.00 -ATOM 1246 C3q BOT 1 2 16.578 4.963 0.000 0.00 1.00 -ATOM 1247 C3r BOT 1 2 16.578 4.963 3.350 0.00 1.00 -ATOM 1248 C3s BOT 1 2 16.578 4.963 6.700 0.00 1.00 -ATOM 1249 C3t BOT 1 2 15.350 7.090 0.000 0.00 1.00 -ATOM 1250 C3u BOT 1 2 15.350 7.090 3.350 0.00 1.00 -ATOM 1251 C3v BOT 1 2 15.350 7.090 6.700 0.00 1.00 -ATOM 1252 C3w BOT 1 2 14.122 9.217 0.000 0.00 1.00 -ATOM 1253 C3x BOT 1 2 14.122 9.217 3.350 0.00 1.00 -ATOM 1254 C3y BOT 1 2 14.122 9.217 6.700 0.00 1.00 -ATOM 1255 C3z BOT 1 2 12.894 11.344 0.000 0.00 1.00 -ATOM 1256 C40 BOT 1 2 12.894 11.344 3.350 0.00 1.00 -ATOM 1257 C41 BOT 1 2 12.894 11.344 6.700 0.00 1.00 -ATOM 1258 C42 BOT 1 2 11.666 13.471 0.000 0.00 1.00 -ATOM 1259 C43 BOT 1 2 11.666 13.471 3.350 0.00 1.00 -ATOM 1260 C44 BOT 1 2 11.666 13.471 6.700 0.00 1.00 -ATOM 1261 C45 BOT 1 2 0.614 15.597 0.000 0.00 1.00 -ATOM 1262 C46 BOT 1 2 0.614 15.597 3.350 0.00 1.00 -ATOM 1263 C47 BOT 1 2 0.614 15.597 6.700 0.00 1.00 -ATOM 1264 C48 BOT 1 2 28.858 17.724 0.000 0.00 1.00 -ATOM 1265 C49 BOT 1 2 28.858 17.724 3.350 0.00 1.00 -ATOM 1266 C4A BOT 1 2 28.858 17.724 6.700 0.00 1.00 -ATOM 1267 C4B BOT 1 2 27.630 19.851 0.000 0.00 1.00 -ATOM 1268 C4C BOT 1 2 27.630 19.851 3.350 0.00 1.00 -ATOM 1269 C4D BOT 1 2 27.630 19.851 6.700 0.00 1.00 -ATOM 1270 C4E BOT 1 2 26.402 21.978 0.000 0.00 1.00 -ATOM 1271 C4F BOT 1 2 26.402 21.978 3.350 0.00 1.00 -ATOM 1272 C4G BOT 1 2 26.402 21.978 6.700 0.00 1.00 -ATOM 1273 C4H BOT 1 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17.806 7.090 3.350 0.00 1.00 -ATOM 1293 C4b BOT 1 2 17.806 7.090 6.700 0.00 1.00 -ATOM 1294 C4c BOT 1 2 16.578 9.217 0.000 0.00 1.00 -ATOM 1295 C4d BOT 1 2 16.578 9.217 3.350 0.00 1.00 -ATOM 1296 C4e BOT 1 2 16.578 9.217 6.700 0.00 1.00 -ATOM 1297 C4f BOT 1 2 15.350 11.344 0.000 0.00 1.00 -ATOM 1298 C4g BOT 1 2 15.350 11.344 3.350 0.00 1.00 -ATOM 1299 C4h BOT 1 2 15.350 11.344 6.700 0.00 1.00 -ATOM 1300 C4i BOT 1 2 14.122 13.471 0.000 0.00 1.00 -ATOM 1301 C4j BOT 1 2 14.122 13.471 3.350 0.00 1.00 -ATOM 1302 C4k BOT 1 2 14.122 13.471 6.700 0.00 1.00 -ATOM 1303 C4l BOT 1 2 3.070 15.597 0.000 0.00 1.00 -ATOM 1304 C4m BOT 1 2 3.070 15.597 3.350 0.00 1.00 -ATOM 1305 C4n BOT 1 2 3.070 15.597 6.700 0.00 1.00 -ATOM 1306 C4o BOT 1 2 1.842 17.724 0.000 0.00 1.00 -ATOM 1307 C4p BOT 1 2 1.842 17.724 3.350 0.00 1.00 -ATOM 1308 C4q BOT 1 2 1.842 17.724 6.700 0.00 1.00 -ATOM 1309 C4r BOT 1 2 0.614 19.851 0.000 0.00 1.00 -ATOM 1310 C4s BOT 1 2 0.614 19.851 3.350 0.00 1.00 -ATOM 1311 C4t BOT 1 2 0.614 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3.350 0.00 1.00 -ATOM 1350 C5W BOT 1 2 4.298 17.724 6.700 0.00 1.00 -ATOM 1351 C5X BOT 1 2 3.070 19.851 0.000 0.00 1.00 -ATOM 1352 C5Y BOT 1 2 3.070 19.851 3.350 0.00 1.00 -ATOM 1353 C5Z BOT 1 2 3.070 19.851 6.700 0.00 1.00 -ATOM 1354 C5a BOT 1 2 1.842 21.978 0.000 0.00 1.00 -ATOM 1355 C5b BOT 1 2 1.842 21.978 3.350 0.00 1.00 -ATOM 1356 C5c BOT 1 2 1.842 21.978 6.700 0.00 1.00 -ATOM 1357 C5d BOT 1 2 0.614 24.105 0.000 0.00 1.00 -ATOM 1358 C5e BOT 1 2 0.614 24.105 3.350 0.00 1.00 -ATOM 1359 C5f BOT 1 2 0.614 24.105 6.700 0.00 1.00 -ATOM 1360 C5g BOT 1 2 28.858 26.232 0.000 0.00 1.00 -ATOM 1361 C5h BOT 1 2 28.858 26.232 3.350 0.00 1.00 -ATOM 1362 C5i BOT 1 2 28.858 26.232 6.700 0.00 1.00 -ATOM 1363 C5j BOT 1 2 27.630 28.359 0.000 0.00 1.00 -ATOM 1364 C5k BOT 1 2 27.630 28.359 3.350 0.00 1.00 -ATOM 1365 C5l BOT 1 2 27.630 28.359 6.700 0.00 1.00 -ATOM 1366 C5m BOT 1 2 26.402 0.709 0.000 0.00 1.00 -ATOM 1367 C5n BOT 1 2 26.402 0.709 3.350 0.00 1.00 -ATOM 1368 C5o BOT 1 2 26.402 0.709 6.700 0.00 1.00 -ATOM 1369 C5p BOT 1 2 25.174 2.836 0.000 0.00 1.00 -ATOM 1370 C5q BOT 1 2 25.174 2.836 3.350 0.00 1.00 -ATOM 1371 C5r BOT 1 2 25.174 2.836 6.700 0.00 1.00 -ATOM 1372 C5s BOT 1 2 23.946 4.963 0.000 0.00 1.00 -ATOM 1373 C5t BOT 1 2 23.946 4.963 3.350 0.00 1.00 -ATOM 1374 C5u BOT 1 2 23.946 4.963 6.700 0.00 1.00 -ATOM 1375 C5v BOT 1 2 22.718 7.090 0.000 0.00 1.00 -ATOM 1376 C5w BOT 1 2 22.718 7.090 3.350 0.00 1.00 -ATOM 1377 C5x BOT 1 2 22.718 7.090 6.700 0.00 1.00 -ATOM 1378 C5y BOT 1 2 21.490 9.217 0.000 0.00 1.00 -ATOM 1379 C5z BOT 1 2 21.490 9.217 3.350 0.00 1.00 -ATOM 1380 C60 BOT 1 2 21.490 9.217 6.700 0.00 1.00 -ATOM 1381 C61 BOT 1 2 20.262 11.344 0.000 0.00 1.00 -ATOM 1382 C62 BOT 1 2 20.262 11.344 3.350 0.00 1.00 -ATOM 1383 C63 BOT 1 2 20.262 11.344 6.700 0.00 1.00 -ATOM 1384 C64 BOT 1 2 19.034 13.471 0.000 0.00 1.00 -ATOM 1385 C65 BOT 1 2 19.034 13.471 3.350 0.00 1.00 -ATOM 1386 C66 BOT 1 2 19.034 13.471 6.700 0.00 1.00 -ATOM 1387 C67 BOT 1 2 7.982 15.597 0.000 0.00 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1.00 -ATOM 1522 C8I BOT 1 2 12.894 22.687 0.000 0.00 1.00 -ATOM 1523 C8J BOT 1 2 12.894 22.687 3.350 0.00 1.00 -ATOM 1524 C8K BOT 1 2 12.894 22.687 6.700 0.00 1.00 -ATOM 1525 C8L BOT 1 2 11.666 24.814 0.000 0.00 1.00 -ATOM 1526 C8M BOT 1 2 11.666 24.814 3.350 0.00 1.00 -ATOM 1527 C8N BOT 1 2 11.666 24.814 6.700 0.00 1.00 -ATOM 1528 C8O BOT 1 2 10.438 26.941 0.000 0.00 1.00 -ATOM 1529 C8P BOT 1 2 10.438 26.941 3.350 0.00 1.00 -ATOM 1530 C8Q BOT 1 2 10.438 26.941 6.700 0.00 1.00 -ATOM 1531 C8R BOT 1 2 9.210 29.068 0.000 0.00 1.00 -ATOM 1532 C8S BOT 1 2 9.210 29.068 3.350 0.00 1.00 -ATOM 1533 C8T BOT 1 2 9.210 29.068 6.700 0.00 1.00 -ATOM 1534 C8U BOT 1 2 7.982 1.418 0.000 0.00 1.00 -ATOM 1535 C8V BOT 1 2 7.982 1.418 3.350 0.00 1.00 -ATOM 1536 C8W BOT 1 2 7.982 1.418 6.700 0.00 1.00 -ATOM 1537 C8X BOT 1 2 6.754 3.545 0.000 0.00 1.00 -ATOM 1538 C8Y BOT 1 2 6.754 3.545 3.350 0.00 1.00 -ATOM 1539 C8Z BOT 1 2 6.754 3.545 6.700 0.00 1.00 -ATOM 1540 C8a BOT 1 2 5.526 5.672 0.000 0.00 1.00 -ATOM 1541 C8b BOT 1 2 5.526 5.672 3.350 0.00 1.00 -ATOM 1542 C8c BOT 1 2 5.526 5.672 6.700 0.00 1.00 -ATOM 1543 C8d BOT 1 2 4.298 7.799 0.000 0.00 1.00 -ATOM 1544 C8e BOT 1 2 4.298 7.799 3.350 0.00 1.00 -ATOM 1545 C8f BOT 1 2 4.298 7.799 6.700 0.00 1.00 -ATOM 1546 C8g BOT 1 2 3.070 9.926 0.000 0.00 1.00 -ATOM 1547 C8h BOT 1 2 3.070 9.926 3.350 0.00 1.00 -ATOM 1548 C8i BOT 1 2 3.070 9.926 6.700 0.00 1.00 -ATOM 1549 C8j BOT 1 2 1.842 12.053 0.000 0.00 1.00 -ATOM 1550 C8k BOT 1 2 1.842 12.053 3.350 0.00 1.00 -ATOM 1551 C8l BOT 1 2 1.842 12.053 6.700 0.00 1.00 -ATOM 1552 C8m BOT 1 2 0.614 14.180 0.000 0.00 1.00 -ATOM 1553 C8n BOT 1 2 0.614 14.180 3.350 0.00 1.00 -ATOM 1554 C8o BOT 1 2 0.614 14.180 6.700 0.00 1.00 -ATOM 1555 C8p BOT 1 2 19.034 16.306 0.000 0.00 1.00 -ATOM 1556 C8q BOT 1 2 19.034 16.306 3.350 0.00 1.00 -ATOM 1557 C8r BOT 1 2 19.034 16.306 6.700 0.00 1.00 -ATOM 1558 C8s BOT 1 2 17.806 18.433 0.000 0.00 1.00 -ATOM 1559 C8t BOT 1 2 17.806 18.433 3.350 0.00 1.00 -ATOM 1560 C8u BOT 1 2 17.806 18.433 6.700 0.00 1.00 -ATOM 1561 C8v BOT 1 2 16.578 20.560 0.000 0.00 1.00 -ATOM 1562 C8w BOT 1 2 16.578 20.560 3.350 0.00 1.00 -ATOM 1563 C8x BOT 1 2 16.578 20.560 6.700 0.00 1.00 -ATOM 1564 C8y BOT 1 2 15.350 22.687 0.000 0.00 1.00 -ATOM 1565 C8z BOT 1 2 15.350 22.687 3.350 0.00 1.00 -ATOM 1566 C90 BOT 1 2 15.350 22.687 6.700 0.00 1.00 -ATOM 1567 C91 BOT 1 2 14.122 24.814 0.000 0.00 1.00 -ATOM 1568 C92 BOT 1 2 14.122 24.814 3.350 0.00 1.00 -ATOM 1569 C93 BOT 1 2 14.122 24.814 6.700 0.00 1.00 -ATOM 1570 C94 BOT 1 2 12.894 26.941 0.000 0.00 1.00 -ATOM 1571 C95 BOT 1 2 12.894 26.941 3.350 0.00 1.00 -ATOM 1572 C96 BOT 1 2 12.894 26.941 6.700 0.00 1.00 -ATOM 1573 C97 BOT 1 2 11.666 29.068 0.000 0.00 1.00 -ATOM 1574 C98 BOT 1 2 11.666 29.068 3.350 0.00 1.00 -ATOM 1575 C99 BOT 1 2 11.666 29.068 6.700 0.00 1.00 -ATOM 1576 C9A BOT 1 2 10.438 1.418 0.000 0.00 1.00 -ATOM 1577 C9B BOT 1 2 10.438 1.418 3.350 0.00 1.00 -ATOM 1578 C9C BOT 1 2 10.438 1.418 6.700 0.00 1.00 -ATOM 1579 C9D BOT 1 2 9.210 3.545 0.000 0.00 1.00 -ATOM 1580 C9E BOT 1 2 9.210 3.545 3.350 0.00 1.00 -ATOM 1581 C9F BOT 1 2 9.210 3.545 6.700 0.00 1.00 -ATOM 1582 C9G BOT 1 2 7.982 5.672 0.000 0.00 1.00 -ATOM 1583 C9H BOT 1 2 7.982 5.672 3.350 0.00 1.00 -ATOM 1584 C9I BOT 1 2 7.982 5.672 6.700 0.00 1.00 -ATOM 1585 C9J BOT 1 2 6.754 7.799 0.000 0.00 1.00 -ATOM 1586 C9K BOT 1 2 6.754 7.799 3.350 0.00 1.00 -ATOM 1587 C9L BOT 1 2 6.754 7.799 6.700 0.00 1.00 -ATOM 1588 C9M BOT 1 2 5.526 9.926 0.000 0.00 1.00 -ATOM 1589 C9N BOT 1 2 5.526 9.926 3.350 0.00 1.00 -ATOM 1590 C9O BOT 1 2 5.526 9.926 6.700 0.00 1.00 -ATOM 1591 C9P BOT 1 2 4.298 12.053 0.000 0.00 1.00 -ATOM 1592 C9Q BOT 1 2 4.298 12.053 3.350 0.00 1.00 -ATOM 1593 C9R BOT 1 2 4.298 12.053 6.700 0.00 1.00 -ATOM 1594 C9S BOT 1 2 3.070 14.180 0.000 0.00 1.00 -ATOM 1595 C9T BOT 1 2 3.070 14.180 3.350 0.00 1.00 -ATOM 1596 C9U BOT 1 2 3.070 14.180 6.700 0.00 1.00 -ATOM 1597 C9V BOT 1 2 21.490 16.306 0.000 0.00 1.00 -ATOM 1598 C9W BOT 1 2 21.490 16.306 3.350 0.00 1.00 -ATOM 1599 C9X BOT 1 2 21.490 16.306 6.700 0.00 1.00 -ATOM 1600 C9Y BOT 1 2 20.262 18.433 0.000 0.00 1.00 -ATOM 1601 C9Z BOT 1 2 20.262 18.433 3.350 0.00 1.00 -ATOM 1602 C9a BOT 1 2 20.262 18.433 6.700 0.00 1.00 -ATOM 1603 C9b BOT 1 2 19.034 20.560 0.000 0.00 1.00 -ATOM 1604 C9c BOT 1 2 19.034 20.560 3.350 0.00 1.00 -ATOM 1605 C9d BOT 1 2 19.034 20.560 6.700 0.00 1.00 -ATOM 1606 C9e BOT 1 2 17.806 22.687 0.000 0.00 1.00 -ATOM 1607 C9f BOT 1 2 17.806 22.687 3.350 0.00 1.00 -ATOM 1608 C9g BOT 1 2 17.806 22.687 6.700 0.00 1.00 -ATOM 1609 C9h BOT 1 2 16.578 24.814 0.000 0.00 1.00 -ATOM 1610 C9i BOT 1 2 16.578 24.814 3.350 0.00 1.00 -ATOM 1611 C9j BOT 1 2 16.578 24.814 6.700 0.00 1.00 -ATOM 1612 C9k BOT 1 2 15.350 26.941 0.000 0.00 1.00 -ATOM 1613 C9l BOT 1 2 15.350 26.941 3.350 0.00 1.00 -ATOM 1614 C9m BOT 1 2 15.350 26.941 6.700 0.00 1.00 -ATOM 1615 C9n BOT 1 2 14.122 29.068 0.000 0.00 1.00 -ATOM 1616 C9o BOT 1 2 14.122 29.068 3.350 0.00 1.00 -ATOM 1617 C9p BOT 1 2 14.122 29.068 6.700 0.00 1.00 -ATOM 1618 C9q BOT 1 2 12.894 1.418 0.000 0.00 1.00 -ATOM 1619 C9r BOT 1 2 12.894 1.418 3.350 0.00 1.00 -ATOM 1620 C9s BOT 1 2 12.894 1.418 6.700 0.00 1.00 -ATOM 1621 C9t BOT 1 2 11.666 3.545 0.000 0.00 1.00 -ATOM 1622 C9u BOT 1 2 11.666 3.545 3.350 0.00 1.00 -ATOM 1623 C9v BOT 1 2 11.666 3.545 6.700 0.00 1.00 -ATOM 1624 C9w BOT 1 2 10.438 5.672 0.000 0.00 1.00 -ATOM 1625 C9x BOT 1 2 10.438 5.672 3.350 0.00 1.00 -ATOM 1626 C9y BOT 1 2 10.438 5.672 6.700 0.00 1.00 -ATOM 1627 C9z BOT 1 2 9.210 7.799 0.000 0.00 1.00 -ATOM 1628 CA0 BOT 1 2 9.210 7.799 3.350 0.00 1.00 -ATOM 1629 CA1 BOT 1 2 9.210 7.799 6.700 0.00 1.00 -ATOM 1630 CA2 BOT 1 2 7.982 9.926 0.000 0.00 1.00 -ATOM 1631 CA3 BOT 1 2 7.982 9.926 3.350 0.00 1.00 -ATOM 1632 CA4 BOT 1 2 7.982 9.926 6.700 0.00 1.00 -ATOM 1633 CA5 BOT 1 2 6.754 12.053 0.000 0.00 1.00 -ATOM 1634 CA6 BOT 1 2 6.754 12.053 3.350 0.00 1.00 -ATOM 1635 CA7 BOT 1 2 6.754 12.053 6.700 0.00 1.00 -ATOM 1636 CA8 BOT 1 2 5.526 14.180 0.000 0.00 1.00 -ATOM 1637 CA9 BOT 1 2 5.526 14.180 3.350 0.00 1.00 -ATOM 1638 CAA BOT 1 2 5.526 14.180 6.700 0.00 1.00 -ATOM 1639 CAB BOT 1 2 23.946 16.306 0.000 0.00 1.00 -ATOM 1640 CAC BOT 1 2 23.946 16.306 3.350 0.00 1.00 -ATOM 1641 CAD BOT 1 2 23.946 16.306 6.700 0.00 1.00 -ATOM 1642 CAE BOT 1 2 22.718 18.433 0.000 0.00 1.00 -ATOM 1643 CAF BOT 1 2 22.718 18.433 3.350 0.00 1.00 -ATOM 1644 CAG BOT 1 2 22.718 18.433 6.700 0.00 1.00 -ATOM 1645 CAH BOT 1 2 21.490 20.560 0.000 0.00 1.00 -ATOM 1646 CAI BOT 1 2 21.490 20.560 3.350 0.00 1.00 -ATOM 1647 CAJ BOT 1 2 21.490 20.560 6.700 0.00 1.00 -ATOM 1648 CAK BOT 1 2 20.262 22.687 0.000 0.00 1.00 -ATOM 1649 CAL BOT 1 2 20.262 22.687 3.350 0.00 1.00 -ATOM 1650 CAM BOT 1 2 20.262 22.687 6.700 0.00 1.00 -ATOM 1651 CAN BOT 1 2 19.034 24.814 0.000 0.00 1.00 -ATOM 1652 CAO BOT 1 2 19.034 24.814 3.350 0.00 1.00 -ATOM 1653 CAP BOT 1 2 19.034 24.814 6.700 0.00 1.00 -ATOM 1654 CAQ BOT 1 2 17.806 26.941 0.000 0.00 1.00 -ATOM 1655 CAR BOT 1 2 17.806 26.941 3.350 0.00 1.00 -ATOM 1656 CAS BOT 1 2 17.806 26.941 6.700 0.00 1.00 -ATOM 1657 CAT BOT 1 2 16.578 29.068 0.000 0.00 1.00 -ATOM 1658 CAU BOT 1 2 16.578 29.068 3.350 0.00 1.00 -ATOM 1659 CAV BOT 1 2 16.578 29.068 6.700 0.00 1.00 -ATOM 1660 CAW BOT 1 2 15.350 1.418 0.000 0.00 1.00 -ATOM 1661 CAX BOT 1 2 15.350 1.418 3.350 0.00 1.00 -ATOM 1662 CAY BOT 1 2 15.350 1.418 6.700 0.00 1.00 -ATOM 1663 CAZ BOT 1 2 14.122 3.545 0.000 0.00 1.00 -ATOM 1664 CAa BOT 1 2 14.122 3.545 3.350 0.00 1.00 -ATOM 1665 CAb BOT 1 2 14.122 3.545 6.700 0.00 1.00 -ATOM 1666 CAc BOT 1 2 12.894 5.672 0.000 0.00 1.00 -ATOM 1667 CAd BOT 1 2 12.894 5.672 3.350 0.00 1.00 -ATOM 1668 CAe BOT 1 2 12.894 5.672 6.700 0.00 1.00 -ATOM 1669 CAf BOT 1 2 11.666 7.799 0.000 0.00 1.00 -ATOM 1670 CAg BOT 1 2 11.666 7.799 3.350 0.00 1.00 -ATOM 1671 CAh BOT 1 2 11.666 7.799 6.700 0.00 1.00 -ATOM 1672 CAi BOT 1 2 10.438 9.926 0.000 0.00 1.00 -ATOM 1673 CAj BOT 1 2 10.438 9.926 3.350 0.00 1.00 -ATOM 1674 CAk BOT 1 2 10.438 9.926 6.700 0.00 1.00 -ATOM 1675 CAl BOT 1 2 9.210 12.053 0.000 0.00 1.00 -ATOM 1676 CAm BOT 1 2 9.210 12.053 3.350 0.00 1.00 -ATOM 1677 CAn BOT 1 2 9.210 12.053 6.700 0.00 1.00 -ATOM 1678 CAo BOT 1 2 7.982 14.180 0.000 0.00 1.00 -ATOM 1679 CAp BOT 1 2 7.982 14.180 3.350 0.00 1.00 -ATOM 1680 CAq BOT 1 2 7.982 14.180 6.700 0.00 1.00 -ATOM 1681 CAr BOT 1 2 26.402 16.306 0.000 0.00 1.00 -ATOM 1682 CAs BOT 1 2 26.402 16.306 3.350 0.00 1.00 -ATOM 1683 CAt BOT 1 2 26.402 16.306 6.700 0.00 1.00 -ATOM 1684 CAu BOT 1 2 25.174 18.433 0.000 0.00 1.00 -ATOM 1685 CAv BOT 1 2 25.174 18.433 3.350 0.00 1.00 -ATOM 1686 CAw BOT 1 2 25.174 18.433 6.700 0.00 1.00 -ATOM 1687 CAx BOT 1 2 23.946 20.560 0.000 0.00 1.00 -ATOM 1688 CAy BOT 1 2 23.946 20.560 3.350 0.00 1.00 -ATOM 1689 CAz BOT 1 2 23.946 20.560 6.700 0.00 1.00 -ATOM 1690 CB0 BOT 1 2 22.718 22.687 0.000 0.00 1.00 -ATOM 1691 CB1 BOT 1 2 22.718 22.687 3.350 0.00 1.00 -ATOM 1692 CB2 BOT 1 2 22.718 22.687 6.700 0.00 1.00 -ATOM 1693 CB3 BOT 1 2 21.490 24.814 0.000 0.00 1.00 -ATOM 1694 CB4 BOT 1 2 21.490 24.814 3.350 0.00 1.00 -ATOM 1695 CB5 BOT 1 2 21.490 24.814 6.700 0.00 1.00 -ATOM 1696 CB6 BOT 1 2 20.262 26.941 0.000 0.00 1.00 -ATOM 1697 CB7 BOT 1 2 20.262 26.941 3.350 0.00 1.00 -ATOM 1698 CB8 BOT 1 2 20.262 26.941 6.700 0.00 1.00 -ATOM 1699 CB9 BOT 1 2 19.034 29.068 0.000 0.00 1.00 -ATOM 1700 CBA BOT 1 2 19.034 29.068 3.350 0.00 1.00 -ATOM 1701 CBB BOT 1 2 19.034 29.068 6.700 0.00 1.00 -ATOM 1702 CBC BOT 1 2 17.806 1.418 0.000 0.00 1.00 -ATOM 1703 CBD BOT 1 2 17.806 1.418 3.350 0.00 1.00 -ATOM 1704 CBE BOT 1 2 17.806 1.418 6.700 0.00 1.00 -ATOM 1705 CBF BOT 1 2 16.578 3.545 0.000 0.00 1.00 -ATOM 1706 CBG BOT 1 2 16.578 3.545 3.350 0.00 1.00 -ATOM 1707 CBH BOT 1 2 16.578 3.545 6.700 0.00 1.00 -ATOM 1708 CBI BOT 1 2 15.350 5.672 0.000 0.00 1.00 -ATOM 1709 CBJ BOT 1 2 15.350 5.672 3.350 0.00 1.00 -ATOM 1710 CBK BOT 1 2 15.350 5.672 6.700 0.00 1.00 -ATOM 1711 CBL BOT 1 2 14.122 7.799 0.000 0.00 1.00 -ATOM 1712 CBM BOT 1 2 14.122 7.799 3.350 0.00 1.00 -ATOM 1713 CBN BOT 1 2 14.122 7.799 6.700 0.00 1.00 -ATOM 1714 CBO BOT 1 2 12.894 9.926 0.000 0.00 1.00 -ATOM 1715 CBP BOT 1 2 12.894 9.926 3.350 0.00 1.00 -ATOM 1716 CBQ BOT 1 2 12.894 9.926 6.700 0.00 1.00 -ATOM 1717 CBR BOT 1 2 11.666 12.053 0.000 0.00 1.00 -ATOM 1718 CBS BOT 1 2 11.666 12.053 3.350 0.00 1.00 -ATOM 1719 CBT BOT 1 2 11.666 12.053 6.700 0.00 1.00 -ATOM 1720 CBU BOT 1 2 10.438 14.180 0.000 0.00 1.00 -ATOM 1721 CBV BOT 1 2 10.438 14.180 3.350 0.00 1.00 -ATOM 1722 CBW BOT 1 2 10.438 14.180 6.700 0.00 1.00 -ATOM 1723 CBX BOT 1 2 28.858 16.306 0.000 0.00 1.00 -ATOM 1724 CBY BOT 1 2 28.858 16.306 3.350 0.00 1.00 -ATOM 1725 CBZ BOT 1 2 28.858 16.306 6.700 0.00 1.00 -ATOM 1726 CBa BOT 1 2 27.630 18.433 0.000 0.00 1.00 -ATOM 1727 CBb BOT 1 2 27.630 18.433 3.350 0.00 1.00 -ATOM 1728 CBc BOT 1 2 27.630 18.433 6.700 0.00 1.00 -ATOM 1729 CBd BOT 1 2 26.402 20.560 0.000 0.00 1.00 -ATOM 1730 CBe BOT 1 2 26.402 20.560 3.350 0.00 1.00 -ATOM 1731 CBf BOT 1 2 26.402 20.560 6.700 0.00 1.00 -ATOM 1732 CBg BOT 1 2 25.174 22.687 0.000 0.00 1.00 -ATOM 1733 CBh BOT 1 2 25.174 22.687 3.350 0.00 1.00 -ATOM 1734 CBi BOT 1 2 25.174 22.687 6.700 0.00 1.00 -ATOM 1735 CBj BOT 1 2 23.946 24.814 0.000 0.00 1.00 -ATOM 1736 CBk BOT 1 2 23.946 24.814 3.350 0.00 1.00 -ATOM 1737 CBl BOT 1 2 23.946 24.814 6.700 0.00 1.00 -ATOM 1738 CBm BOT 1 2 22.718 26.941 0.000 0.00 1.00 -ATOM 1739 CBn BOT 1 2 22.718 26.941 3.350 0.00 1.00 -ATOM 1740 CBo BOT 1 2 22.718 26.941 6.700 0.00 1.00 -ATOM 1741 CBp BOT 1 2 21.490 29.068 0.000 0.00 1.00 -ATOM 1742 CBq BOT 1 2 21.490 29.068 3.350 0.00 1.00 -ATOM 1743 CBr BOT 1 2 21.490 29.068 6.700 0.00 1.00 -ATOM 1744 CBs BOT 1 2 20.262 1.418 0.000 0.00 1.00 -ATOM 1745 CBt BOT 1 2 20.262 1.418 3.350 0.00 1.00 -ATOM 1746 CBu BOT 1 2 20.262 1.418 6.700 0.00 1.00 -ATOM 1747 CBv BOT 1 2 19.034 3.545 0.000 0.00 1.00 -ATOM 1748 CBw BOT 1 2 19.034 3.545 3.350 0.00 1.00 -ATOM 1749 CBx BOT 1 2 19.034 3.545 6.700 0.00 1.00 -ATOM 1750 CBy BOT 1 2 17.806 5.672 0.000 0.00 1.00 -ATOM 1751 CBz BOT 1 2 17.806 5.672 3.350 0.00 1.00 -ATOM 1752 CC0 BOT 1 2 17.806 5.672 6.700 0.00 1.00 -ATOM 1753 CC1 BOT 1 2 16.578 7.799 0.000 0.00 1.00 -ATOM 1754 CC2 BOT 1 2 16.578 7.799 3.350 0.00 1.00 -ATOM 1755 CC3 BOT 1 2 16.578 7.799 6.700 0.00 1.00 -ATOM 1756 CC4 BOT 1 2 15.350 9.926 0.000 0.00 1.00 -ATOM 1757 CC5 BOT 1 2 15.350 9.926 3.350 0.00 1.00 -ATOM 1758 CC6 BOT 1 2 15.350 9.926 6.700 0.00 1.00 -ATOM 1759 CC7 BOT 1 2 14.122 12.053 0.000 0.00 1.00 -ATOM 1760 CC8 BOT 1 2 14.122 12.053 3.350 0.00 1.00 -ATOM 1761 CC9 BOT 1 2 14.122 12.053 6.700 0.00 1.00 -ATOM 1762 CCA BOT 1 2 12.894 14.180 0.000 0.00 1.00 -ATOM 1763 CCB BOT 1 2 12.894 14.180 3.350 0.00 1.00 -ATOM 1764 CCC BOT 1 2 12.894 14.180 6.700 0.00 1.00 -ATOM 1765 CCD BOT 1 2 1.842 16.306 0.000 0.00 1.00 -ATOM 1766 CCE BOT 1 2 1.842 16.306 3.350 0.00 1.00 -ATOM 1767 CCF BOT 1 2 1.842 16.306 6.700 0.00 1.00 -ATOM 1768 CCG BOT 1 2 0.614 18.433 0.000 0.00 1.00 -ATOM 1769 CCH BOT 1 2 0.614 18.433 3.350 0.00 1.00 -ATOM 1770 CCI BOT 1 2 0.614 18.433 6.700 0.00 1.00 -ATOM 1771 CCJ BOT 1 2 28.858 20.560 0.000 0.00 1.00 -ATOM 1772 CCK BOT 1 2 28.858 20.560 3.350 0.00 1.00 -ATOM 1773 CCL BOT 1 2 28.858 20.560 6.700 0.00 1.00 -ATOM 1774 CCM BOT 1 2 27.630 22.687 0.000 0.00 1.00 -ATOM 1775 CCN BOT 1 2 27.630 22.687 3.350 0.00 1.00 -ATOM 1776 CCO BOT 1 2 27.630 22.687 6.700 0.00 1.00 -ATOM 1777 CCP BOT 1 2 26.402 24.814 0.000 0.00 1.00 -ATOM 1778 CCQ BOT 1 2 26.402 24.814 3.350 0.00 1.00 -ATOM 1779 CCR BOT 1 2 26.402 24.814 6.700 0.00 1.00 -ATOM 1780 CCS BOT 1 2 25.174 26.941 0.000 0.00 1.00 -ATOM 1781 CCT BOT 1 2 25.174 26.941 3.350 0.00 1.00 -ATOM 1782 CCU BOT 1 2 25.174 26.941 6.700 0.00 1.00 -ATOM 1783 CCV BOT 1 2 23.946 29.068 0.000 0.00 1.00 -ATOM 1784 CCW BOT 1 2 23.946 29.068 3.350 0.00 1.00 -ATOM 1785 CCX BOT 1 2 23.946 29.068 6.700 0.00 1.00 -ATOM 1786 CCY BOT 1 2 22.718 1.418 0.000 0.00 1.00 -ATOM 1787 CCZ BOT 1 2 22.718 1.418 3.350 0.00 1.00 -ATOM 1788 CCa BOT 1 2 22.718 1.418 6.700 0.00 1.00 -ATOM 1789 CCb BOT 1 2 21.490 3.545 0.000 0.00 1.00 -ATOM 1790 CCc BOT 1 2 21.490 3.545 3.350 0.00 1.00 -ATOM 1791 CCd BOT 1 2 21.490 3.545 6.700 0.00 1.00 -ATOM 1792 CCe BOT 1 2 20.262 5.672 0.000 0.00 1.00 -ATOM 1793 CCf BOT 1 2 20.262 5.672 3.350 0.00 1.00 -ATOM 1794 CCg BOT 1 2 20.262 5.672 6.700 0.00 1.00 -ATOM 1795 CCh BOT 1 2 19.034 7.799 0.000 0.00 1.00 -ATOM 1796 CCi BOT 1 2 19.034 7.799 3.350 0.00 1.00 -ATOM 1797 CCj BOT 1 2 19.034 7.799 6.700 0.00 1.00 -ATOM 1798 CCk BOT 1 2 17.806 9.926 0.000 0.00 1.00 -ATOM 1799 CCl BOT 1 2 17.806 9.926 3.350 0.00 1.00 -ATOM 1800 CCm BOT 1 2 17.806 9.926 6.700 0.00 1.00 -ATOM 1801 CCn BOT 1 2 16.578 12.053 0.000 0.00 1.00 -ATOM 1802 CCo BOT 1 2 16.578 12.053 3.350 0.00 1.00 -ATOM 1803 CCp BOT 1 2 16.578 12.053 6.700 0.00 1.00 -ATOM 1804 CCq BOT 1 2 15.350 14.180 0.000 0.00 1.00 -ATOM 1805 CCr BOT 1 2 15.350 14.180 3.350 0.00 1.00 -ATOM 1806 CCs BOT 1 2 15.350 14.180 6.700 0.00 1.00 -ATOM 1807 CCt BOT 1 2 4.298 16.306 0.000 0.00 1.00 -ATOM 1808 CCu BOT 1 2 4.298 16.306 3.350 0.00 1.00 -ATOM 1809 CCv BOT 1 2 4.298 16.306 6.700 0.00 1.00 -ATOM 1810 CCw BOT 1 2 3.070 18.433 0.000 0.00 1.00 -ATOM 1811 CCx BOT 1 2 3.070 18.433 3.350 0.00 1.00 -ATOM 1812 CCy BOT 1 2 3.070 18.433 6.700 0.00 1.00 -ATOM 1813 CCz BOT 1 2 1.842 20.560 0.000 0.00 1.00 -ATOM 1814 CD0 BOT 1 2 1.842 20.560 3.350 0.00 1.00 -ATOM 1815 CD1 BOT 1 2 1.842 20.560 6.700 0.00 1.00 -ATOM 1816 CD2 BOT 1 2 0.614 22.687 0.000 0.00 1.00 -ATOM 1817 CD3 BOT 1 2 0.614 22.687 3.350 0.00 1.00 -ATOM 1818 CD4 BOT 1 2 0.614 22.687 6.700 0.00 1.00 -ATOM 1819 CD5 BOT 1 2 28.858 24.814 0.000 0.00 1.00 -ATOM 1820 CD6 BOT 1 2 28.858 24.814 3.350 0.00 1.00 -ATOM 1821 CD7 BOT 1 2 28.858 24.814 6.700 0.00 1.00 -ATOM 1822 CD8 BOT 1 2 27.630 26.941 0.000 0.00 1.00 -ATOM 1823 CD9 BOT 1 2 27.630 26.941 3.350 0.00 1.00 -ATOM 1824 CDA BOT 1 2 27.630 26.941 6.700 0.00 1.00 -ATOM 1825 CDB BOT 1 2 26.402 29.068 0.000 0.00 1.00 -ATOM 1826 CDC BOT 1 2 26.402 29.068 3.350 0.00 1.00 -ATOM 1827 CDD BOT 1 2 26.402 29.068 6.700 0.00 1.00 -ATOM 1828 CDE BOT 1 2 25.174 1.418 0.000 0.00 1.00 -ATOM 1829 CDF BOT 1 2 25.174 1.418 3.350 0.00 1.00 -ATOM 1830 CDG BOT 1 2 25.174 1.418 6.700 0.00 1.00 -ATOM 1831 CDH BOT 1 2 23.946 3.545 0.000 0.00 1.00 -ATOM 1832 CDI BOT 1 2 23.946 3.545 3.350 0.00 1.00 -ATOM 1833 CDJ BOT 1 2 23.946 3.545 6.700 0.00 1.00 -ATOM 1834 CDK BOT 1 2 22.718 5.672 0.000 0.00 1.00 -ATOM 1835 CDL BOT 1 2 22.718 5.672 3.350 0.00 1.00 -ATOM 1836 CDM BOT 1 2 22.718 5.672 6.700 0.00 1.00 -ATOM 1837 CDN BOT 1 2 21.490 7.799 0.000 0.00 1.00 -ATOM 1838 CDO BOT 1 2 21.490 7.799 3.350 0.00 1.00 -ATOM 1839 CDP BOT 1 2 21.490 7.799 6.700 0.00 1.00 -ATOM 1840 CDQ BOT 1 2 20.262 9.926 0.000 0.00 1.00 -ATOM 1841 CDR BOT 1 2 20.262 9.926 3.350 0.00 1.00 -ATOM 1842 CDS BOT 1 2 20.262 9.926 6.700 0.00 1.00 -ATOM 1843 CDT BOT 1 2 19.034 12.053 0.000 0.00 1.00 -ATOM 1844 CDU BOT 1 2 19.034 12.053 3.350 0.00 1.00 -ATOM 1845 CDV BOT 1 2 19.034 12.053 6.700 0.00 1.00 -ATOM 1846 CDW BOT 1 2 17.806 14.180 0.000 0.00 1.00 -ATOM 1847 CDX BOT 1 2 17.806 14.180 3.350 0.00 1.00 -ATOM 1848 CDY BOT 1 2 17.806 14.180 6.700 0.00 1.00 -ATOM 1849 CDZ BOT 1 2 6.754 16.306 0.000 0.00 1.00 -ATOM 1850 CDa BOT 1 2 6.754 16.306 3.350 0.00 1.00 -ATOM 1851 CDb BOT 1 2 6.754 16.306 6.700 0.00 1.00 -ATOM 1852 CDc BOT 1 2 5.526 18.433 0.000 0.00 1.00 -ATOM 1853 CDd BOT 1 2 5.526 18.433 3.350 0.00 1.00 -ATOM 1854 CDe BOT 1 2 5.526 18.433 6.700 0.00 1.00 -ATOM 1855 CDf BOT 1 2 4.298 20.560 0.000 0.00 1.00 -ATOM 1856 CDg BOT 1 2 4.298 20.560 3.350 0.00 1.00 -ATOM 1857 CDh BOT 1 2 4.298 20.560 6.700 0.00 1.00 -ATOM 1858 CDi BOT 1 2 3.070 22.687 0.000 0.00 1.00 -ATOM 1859 CDj BOT 1 2 3.070 22.687 3.350 0.00 1.00 -ATOM 1860 CDk BOT 1 2 3.070 22.687 6.700 0.00 1.00 -ATOM 1861 CDl BOT 1 2 1.842 24.814 0.000 0.00 1.00 -ATOM 1862 CDm BOT 1 2 1.842 24.814 3.350 0.00 1.00 -ATOM 1863 CDn BOT 1 2 1.842 24.814 6.700 0.00 1.00 -ATOM 1864 CDo BOT 1 2 0.614 26.941 0.000 0.00 1.00 -ATOM 1865 CDp BOT 1 2 0.614 26.941 3.350 0.00 1.00 -ATOM 1866 CDq BOT 1 2 0.614 26.941 6.700 0.00 1.00 -ATOM 1867 CDr BOT 1 2 28.858 29.068 0.000 0.00 1.00 -ATOM 1868 CDs BOT 1 2 28.858 29.068 3.350 0.00 1.00 -ATOM 1869 CDt BOT 1 2 28.858 29.068 6.700 0.00 1.00 -ATOM 1870 CDu BOT 1 2 27.630 1.418 0.000 0.00 1.00 -ATOM 1871 CDv BOT 1 2 27.630 1.418 3.350 0.00 1.00 -ATOM 1872 CDw BOT 1 2 27.630 1.418 6.700 0.00 1.00 -ATOM 1873 CDx BOT 1 2 26.402 3.545 0.000 0.00 1.00 -ATOM 1874 CDy BOT 1 2 26.402 3.545 3.350 0.00 1.00 -ATOM 1875 CDz BOT 1 2 26.402 3.545 6.700 0.00 1.00 -ATOM 1876 CE0 BOT 1 2 25.174 5.672 0.000 0.00 1.00 -ATOM 1877 CE1 BOT 1 2 25.174 5.672 3.350 0.00 1.00 -ATOM 1878 CE2 BOT 1 2 25.174 5.672 6.700 0.00 1.00 -ATOM 1879 CE3 BOT 1 2 23.946 7.799 0.000 0.00 1.00 -ATOM 1880 CE4 BOT 1 2 23.946 7.799 3.350 0.00 1.00 -ATOM 1881 CE5 BOT 1 2 23.946 7.799 6.700 0.00 1.00 -ATOM 1882 CE6 BOT 1 2 22.718 9.926 0.000 0.00 1.00 -ATOM 1883 CE7 BOT 1 2 22.718 9.926 3.350 0.00 1.00 -ATOM 1884 CE8 BOT 1 2 22.718 9.926 6.700 0.00 1.00 -ATOM 1885 CE9 BOT 1 2 21.490 12.053 0.000 0.00 1.00 -ATOM 1886 CEA BOT 1 2 21.490 12.053 3.350 0.00 1.00 -ATOM 1887 CEB BOT 1 2 21.490 12.053 6.700 0.00 1.00 -ATOM 1888 CEC BOT 1 2 20.262 14.180 0.000 0.00 1.00 -ATOM 1889 CED BOT 1 2 20.262 14.180 3.350 0.00 1.00 -ATOM 1890 CEE BOT 1 2 20.262 14.180 6.700 0.00 1.00 -ATOM 1891 CEF BOT 1 2 9.210 16.306 0.000 0.00 1.00 -ATOM 1892 CEG BOT 1 2 9.210 16.306 3.350 0.00 1.00 -ATOM 1893 CEH BOT 1 2 9.210 16.306 6.700 0.00 1.00 -ATOM 1894 CEI BOT 1 2 7.982 18.433 0.000 0.00 1.00 -ATOM 1895 CEJ BOT 1 2 7.982 18.433 3.350 0.00 1.00 -ATOM 1896 CEK BOT 1 2 7.982 18.433 6.700 0.00 1.00 -ATOM 1897 CEL BOT 1 2 6.754 20.560 0.000 0.00 1.00 -ATOM 1898 CEM BOT 1 2 6.754 20.560 3.350 0.00 1.00 -ATOM 1899 CEN BOT 1 2 6.754 20.560 6.700 0.00 1.00 -ATOM 1900 CEO BOT 1 2 5.526 22.687 0.000 0.00 1.00 -ATOM 1901 CEP BOT 1 2 5.526 22.687 3.350 0.00 1.00 -ATOM 1902 CEQ BOT 1 2 5.526 22.687 6.700 0.00 1.00 -ATOM 1903 CER BOT 1 2 4.298 24.814 0.000 0.00 1.00 -ATOM 1904 CES BOT 1 2 4.298 24.814 3.350 0.00 1.00 -ATOM 1905 CET BOT 1 2 4.298 24.814 6.700 0.00 1.00 -ATOM 1906 CEU BOT 1 2 3.070 26.941 0.000 0.00 1.00 -ATOM 1907 CEV BOT 1 2 3.070 26.941 3.350 0.00 1.00 -ATOM 1908 CEW BOT 1 2 3.070 26.941 6.700 0.00 1.00 -ATOM 1909 CEX BOT 1 2 1.842 29.068 0.000 0.00 1.00 -ATOM 1910 CEY BOT 1 2 1.842 29.068 3.350 0.00 1.00 -ATOM 1911 CEZ BOT 1 2 1.842 29.068 6.700 0.00 1.00 -ATOM 1912 CEa BOT 1 2 0.614 1.418 0.000 0.00 1.00 -ATOM 1913 CEb BOT 1 2 0.614 1.418 3.350 0.00 1.00 -ATOM 1914 CEc BOT 1 2 0.614 1.418 6.700 0.00 1.00 -ATOM 1915 CEd BOT 1 2 28.858 3.545 0.000 0.00 1.00 -ATOM 1916 CEe BOT 1 2 28.858 3.545 3.350 0.00 1.00 -ATOM 1917 CEf BOT 1 2 28.858 3.545 6.700 0.00 1.00 -ATOM 1918 CEg BOT 1 2 27.630 5.672 0.000 0.00 1.00 -ATOM 1919 CEh BOT 1 2 27.630 5.672 3.350 0.00 1.00 -ATOM 1920 CEi BOT 1 2 27.630 5.672 6.700 0.00 1.00 -ATOM 1921 CEj BOT 1 2 26.402 7.799 0.000 0.00 1.00 -ATOM 1922 CEk BOT 1 2 26.402 7.799 3.350 0.00 1.00 -ATOM 1923 CEl BOT 1 2 26.402 7.799 6.700 0.00 1.00 -ATOM 1924 CEm BOT 1 2 25.174 9.926 0.000 0.00 1.00 -ATOM 1925 CEn BOT 1 2 25.174 9.926 3.350 0.00 1.00 -ATOM 1926 CEo BOT 1 2 25.174 9.926 6.700 0.00 1.00 -ATOM 1927 CEp BOT 1 2 23.946 12.053 0.000 0.00 1.00 -ATOM 1928 CEq BOT 1 2 23.946 12.053 3.350 0.00 1.00 -ATOM 1929 CEr BOT 1 2 23.946 12.053 6.700 0.00 1.00 -ATOM 1930 CEs BOT 1 2 22.718 14.180 0.000 0.00 1.00 -ATOM 1931 CEt BOT 1 2 22.718 14.180 3.350 0.00 1.00 -ATOM 1932 CEu BOT 1 2 22.718 14.180 6.700 0.00 1.00 -ATOM 1933 CEv BOT 1 2 11.666 16.306 0.000 0.00 1.00 -ATOM 1934 CEw BOT 1 2 11.666 16.306 3.350 0.00 1.00 -ATOM 1935 CEx BOT 1 2 11.666 16.306 6.700 0.00 1.00 -ATOM 1936 CEy BOT 1 2 10.438 18.433 0.000 0.00 1.00 -ATOM 1937 CEz BOT 1 2 10.438 18.433 3.350 0.00 1.00 -ATOM 1938 CF0 BOT 1 2 10.438 18.433 6.700 0.00 1.00 -ATOM 1939 CF1 BOT 1 2 9.210 20.560 0.000 0.00 1.00 -ATOM 1940 CF2 BOT 1 2 9.210 20.560 3.350 0.00 1.00 -ATOM 1941 CF3 BOT 1 2 9.210 20.560 6.700 0.00 1.00 -ATOM 1942 CF4 BOT 1 2 7.982 22.687 0.000 0.00 1.00 -ATOM 1943 CF5 BOT 1 2 7.982 22.687 3.350 0.00 1.00 -ATOM 1944 CF6 BOT 1 2 7.982 22.687 6.700 0.00 1.00 -ATOM 1945 CF7 BOT 1 2 6.754 24.814 0.000 0.00 1.00 -ATOM 1946 CF8 BOT 1 2 6.754 24.814 3.350 0.00 1.00 -ATOM 1947 CF9 BOT 1 2 6.754 24.814 6.700 0.00 1.00 -ATOM 1948 CFA BOT 1 2 5.526 26.941 0.000 0.00 1.00 -ATOM 1949 CFB BOT 1 2 5.526 26.941 3.350 0.00 1.00 -ATOM 1950 CFC BOT 1 2 5.526 26.941 6.700 0.00 1.00 -ATOM 1951 CFD BOT 1 2 4.298 29.068 0.000 0.00 1.00 -ATOM 1952 CFE BOT 1 2 4.298 29.068 3.350 0.00 1.00 -ATOM 1953 CFF BOT 1 2 4.298 29.068 6.700 0.00 1.00 -ATOM 1954 CFG BOT 1 2 3.070 1.418 0.000 0.00 1.00 -ATOM 1955 CFH BOT 1 2 3.070 1.418 3.350 0.00 1.00 -ATOM 1956 CFI BOT 1 2 3.070 1.418 6.700 0.00 1.00 -ATOM 1957 CFJ BOT 1 2 1.842 3.545 0.000 0.00 1.00 -ATOM 1958 CFK BOT 1 2 1.842 3.545 3.350 0.00 1.00 -ATOM 1959 CFL BOT 1 2 1.842 3.545 6.700 0.00 1.00 -ATOM 1960 CFM BOT 1 2 0.614 5.672 0.000 0.00 1.00 -ATOM 1961 CFN BOT 1 2 0.614 5.672 3.350 0.00 1.00 -ATOM 1962 CFO BOT 1 2 0.614 5.672 6.700 0.00 1.00 -ATOM 1963 CFP BOT 1 2 28.858 7.799 0.000 0.00 1.00 -ATOM 1964 CFQ BOT 1 2 28.858 7.799 3.350 0.00 1.00 -ATOM 1965 CFR BOT 1 2 28.858 7.799 6.700 0.00 1.00 -ATOM 1966 CFS BOT 1 2 27.630 9.926 0.000 0.00 1.00 -ATOM 1967 CFT BOT 1 2 27.630 9.926 3.350 0.00 1.00 -ATOM 1968 CFU BOT 1 2 27.630 9.926 6.700 0.00 1.00 -ATOM 1969 CFV BOT 1 2 26.402 12.053 0.000 0.00 1.00 -ATOM 1970 CFW BOT 1 2 26.402 12.053 3.350 0.00 1.00 -ATOM 1971 CFX BOT 1 2 26.402 12.053 6.700 0.00 1.00 -ATOM 1972 CFY BOT 1 2 25.174 14.180 0.000 0.00 1.00 -ATOM 1973 CFZ BOT 1 2 25.174 14.180 3.350 0.00 1.00 -ATOM 1974 CFa BOT 1 2 25.174 14.180 6.700 0.00 1.00 -ATOM 1975 CFb BOT 1 2 14.122 16.306 0.000 0.00 1.00 -ATOM 1976 CFc BOT 1 2 14.122 16.306 3.350 0.00 1.00 -ATOM 1977 CFd BOT 1 2 14.122 16.306 6.700 0.00 1.00 -ATOM 1978 CFe BOT 1 2 12.894 18.433 0.000 0.00 1.00 -ATOM 1979 CFf BOT 1 2 12.894 18.433 3.350 0.00 1.00 -ATOM 1980 CFg BOT 1 2 12.894 18.433 6.700 0.00 1.00 -ATOM 1981 CFh BOT 1 2 11.666 20.560 0.000 0.00 1.00 -ATOM 1982 CFi BOT 1 2 11.666 20.560 3.350 0.00 1.00 -ATOM 1983 CFj BOT 1 2 11.666 20.560 6.700 0.00 1.00 -ATOM 1984 CFk BOT 1 2 10.438 22.687 0.000 0.00 1.00 -ATOM 1985 CFl BOT 1 2 10.438 22.687 3.350 0.00 1.00 -ATOM 1986 CFm BOT 1 2 10.438 22.687 6.700 0.00 1.00 -ATOM 1987 CFn BOT 1 2 9.210 24.814 0.000 0.00 1.00 -ATOM 1988 CFo BOT 1 2 9.210 24.814 3.350 0.00 1.00 -ATOM 1989 CFp BOT 1 2 9.210 24.814 6.700 0.00 1.00 -ATOM 1990 CFq BOT 1 2 7.982 26.941 0.000 0.00 1.00 -ATOM 1991 CFr BOT 1 2 7.982 26.941 3.350 0.00 1.00 -ATOM 1992 CFs BOT 1 2 7.982 26.941 6.700 0.00 1.00 -ATOM 1993 CFt BOT 1 2 6.754 29.068 0.000 0.00 1.00 -ATOM 1994 CFu BOT 1 2 6.754 29.068 3.350 0.00 1.00 -ATOM 1995 CFv BOT 1 2 6.754 29.068 6.700 0.00 1.00 -ATOM 1996 CFw BOT 1 2 5.526 1.418 0.000 0.00 1.00 -ATOM 1997 CFx BOT 1 2 5.526 1.418 3.350 0.00 1.00 -ATOM 1998 CFy BOT 1 2 5.526 1.418 6.700 0.00 1.00 -ATOM 1999 CFz BOT 1 2 4.298 3.545 0.000 0.00 1.00 -ATOM 2000 CG0 BOT 1 2 4.298 3.545 3.350 0.00 1.00 -ATOM 2001 CG1 BOT 1 2 4.298 3.545 6.700 0.00 1.00 -ATOM 2002 CG2 BOT 1 2 3.070 5.672 0.000 0.00 1.00 -ATOM 2003 CG3 BOT 1 2 3.070 5.672 3.350 0.00 1.00 -ATOM 2004 CG4 BOT 1 2 3.070 5.672 6.700 0.00 1.00 -ATOM 2005 CG5 BOT 1 2 1.842 7.799 0.000 0.00 1.00 -ATOM 2006 CG6 BOT 1 2 1.842 7.799 3.350 0.00 1.00 -ATOM 2007 CG7 BOT 1 2 1.842 7.799 6.700 0.00 1.00 -ATOM 2008 CG8 BOT 1 2 0.614 9.926 0.000 0.00 1.00 -ATOM 2009 CG9 BOT 1 2 0.614 9.926 3.350 0.00 1.00 -ATOM 2010 CGA BOT 1 2 0.614 9.926 6.700 0.00 1.00 -ATOM 2011 CGB BOT 1 2 28.858 12.053 0.000 0.00 1.00 -ATOM 2012 CGC BOT 1 2 28.858 12.053 3.350 0.00 1.00 -ATOM 2013 CGD BOT 1 2 28.858 12.053 6.700 0.00 1.00 -ATOM 2014 CGE BOT 1 2 27.630 14.180 0.000 0.00 1.00 -ATOM 2015 CGF BOT 1 2 27.630 14.180 3.350 0.00 1.00 -ATOM 2016 CGG BOT 1 2 27.630 14.180 6.700 0.00 1.00 -ATOM 2017 O1 H2O 1 3 22.844 10.565 23.681 0.00 0.00 -ATOM 2018 H1 H2O 1 3 23.535 11.277 23.813 0.00 0.00 -ATOM 2019 H2 H2O 1 3 22.235 10.542 24.474 0.00 0.00 -ATOM 2020 O1 H2O 2 4 27.001 27.681 19.735 0.00 0.00 -ATOM 2021 H1 H2O 2 4 26.612 28.600 19.663 0.00 0.00 -ATOM 2022 H2 H2O 2 4 26.782 27.296 20.631 0.00 0.00 -ATOM 2023 O1 H2O 3 5 10.875 17.926 22.612 0.00 0.00 -ATOM 2024 H1 H2O 3 5 10.914 18.314 21.691 0.00 0.00 -ATOM 2025 H2 H2O 3 5 9.920 17.802 22.882 0.00 0.00 -ATOM 2026 O1 H2O 4 6 28.964 25.931 23.661 0.00 0.00 -ATOM 2027 H1 H2O 4 6 29.043 26.306 24.585 0.00 0.00 -ATOM 2028 H2 H2O 4 6 29.291 24.986 23.656 0.00 0.00 -ATOM 2029 O1 H2O 5 7 17.298 23.499 19.738 0.00 0.00 -ATOM 2030 H1 H2O 5 7 17.774 22.635 19.902 0.00 0.00 -ATOM 2031 H2 H2O 5 7 17.384 23.749 18.774 0.00 0.00 -ATOM 2032 O1 H2O 6 8 14.102 14.036 20.700 0.00 0.00 -ATOM 2033 H1 H2O 6 8 14.412 14.041 21.650 0.00 0.00 -ATOM 2034 H2 H2O 6 8 13.237 14.533 20.629 0.00 0.00 -ATOM 2035 O1 H2O 7 9 25.368 5.663 22.832 0.00 0.00 -ATOM 2036 H1 H2O 7 9 25.949 6.456 23.012 0.00 0.00 -ATOM 2037 H2 H2O 7 9 24.470 5.805 23.250 0.00 0.00 -ATOM 2038 O1 H2O 8 10 22.292 22.344 23.245 0.00 0.00 -ATOM 2039 H1 H2O 8 10 23.259 22.142 23.400 0.00 0.00 -ATOM 2040 H2 H2O 8 10 21.848 21.551 22.829 0.00 0.00 -ATOM 2041 O1 H2O 9 11 27.784 10.126 23.155 0.00 0.00 -ATOM 2042 H1 H2O 9 11 26.853 9.916 23.453 0.00 0.00 -ATOM 2043 H2 H2O 9 11 27.958 11.105 23.268 0.00 0.00 -ATOM 2044 O1 H2O 0 12 11.136 20.427 23.598 0.00 0.00 -ATOM 2045 H1 H2O 0 12 10.643 21.181 23.164 0.00 0.00 -ATOM 2046 H2 H2O 0 12 10.582 19.596 23.549 0.00 0.00 -ATOM 2047 O1 H2O 1 13 13.634 28.414 21.171 0.00 0.00 -ATOM 2048 H1 H2O 1 13 12.847 28.927 20.830 0.00 0.00 -ATOM 2049 H2 H2O 1 13 14.478 28.872 20.892 0.00 0.00 -ATOM 2050 O1 H2O 2 14 9.972 2.204 23.486 0.00 0.00 -ATOM 2051 H1 H2O 2 14 10.814 2.502 23.038 0.00 0.00 -ATOM 2052 H2 H2O 2 14 9.315 2.957 23.496 0.00 0.00 -ATOM 2053 O1 H2O 3 15 0.110 20.336 20.042 0.00 0.00 -ATOM 2054 H1 H2O 3 15 1.075 20.503 19.837 0.00 0.00 -ATOM 2055 H2 H2O 3 15 -0.067 19.352 20.033 0.00 0.00 -ATOM 2056 O1 H2O 4 16 27.363 7.279 23.651 0.00 0.00 -ATOM 2057 H1 H2O 4 16 28.230 7.734 23.852 0.00 0.00 -ATOM 2058 H2 H2O 4 16 26.610 7.813 24.035 0.00 0.00 -ATOM 2059 O1 H2O 5 17 18.471 25.730 23.008 0.00 0.00 -ATOM 2060 H1 H2O 5 17 19.374 25.309 23.094 0.00 0.00 -ATOM 2061 H2 H2O 5 17 17.765 25.038 23.160 0.00 0.00 -ATOM 2062 O1 H2O 6 18 0.610 7.901 20.792 0.00 0.00 -ATOM 2063 H1 H2O 6 18 1.141 8.284 21.549 0.00 0.00 -ATOM 2064 H2 H2O 6 18 -0.165 8.500 20.593 0.00 0.00 -ATOM 2065 O1 H2O 7 19 13.583 17.409 23.535 0.00 0.00 -ATOM 2066 H1 H2O 7 19 13.949 18.330 23.671 0.00 0.00 -ATOM 2067 H2 H2O 7 19 12.628 17.470 23.244 0.00 0.00 -ATOM 2068 O1 H2O 8 20 28.300 2.011 23.880 0.00 0.00 -ATOM 2069 H1 H2O 8 20 27.896 1.750 24.757 0.00 0.00 -ATOM 2070 H2 H2O 8 20 28.127 2.981 23.710 0.00 0.00 -ATOM 2071 O1 H2O 9 21 18.749 3.756 22.935 0.00 0.00 -ATOM 2072 H1 H2O 9 21 19.726 3.953 22.857 0.00 0.00 -ATOM 2073 H2 H2O 9 21 18.613 2.769 23.016 0.00 0.00 -ATOM 2074 O1 H2O 0 22 24.040 22.392 20.005 0.00 0.00 -ATOM 2075 H1 H2O 0 22 23.046 22.462 19.922 0.00 0.00 -ATOM 2076 H2 H2O 0 22 24.451 23.290 19.849 0.00 0.00 -ATOM 2077 O1 H2O 1 23 28.247 15.774 23.447 0.00 0.00 -ATOM 2078 H1 H2O 1 23 28.960 16.463 23.313 0.00 0.00 -ATOM 2079 H2 H2O 1 23 27.355 16.223 23.494 0.00 0.00 -ATOM 2080 O1 H2O 2 24 2.646 10.666 23.639 0.00 0.00 -ATOM 2081 H1 H2O 2 24 2.097 11.244 23.035 0.00 0.00 -ATOM 2082 H2 H2O 2 24 2.557 10.988 24.581 0.00 0.00 -ATOM 2083 O1 H2O 3 25 12.601 2.916 22.481 0.00 0.00 -ATOM 2084 H1 H2O 3 25 13.247 3.601 22.816 0.00 0.00 -ATOM 2085 H2 H2O 3 25 12.838 2.664 21.543 0.00 0.00 -ATOM 2086 O1 H2O 4 26 27.295 24.762 19.799 0.00 0.00 -ATOM 2087 H1 H2O 4 26 26.300 24.659 19.809 0.00 0.00 -ATOM 2088 H2 H2O 4 26 27.530 25.721 19.641 0.00 0.00 -ATOM 2089 O1 H2O 5 27 7.673 1.825 21.241 0.00 0.00 -ATOM 2090 H1 H2O 5 27 8.618 2.097 21.059 0.00 0.00 -ATOM 2091 H2 H2O 5 27 7.617 1.398 22.144 0.00 0.00 -ATOM 2092 O1 H2O 6 28 3.276 3.723 19.794 0.00 0.00 -ATOM 2093 H1 H2O 6 28 2.955 3.780 18.849 0.00 0.00 -ATOM 2094 H2 H2O 6 28 3.943 2.983 19.876 0.00 0.00 -ATOM 2095 O1 H2O 7 29 19.936 18.551 20.189 0.00 0.00 -ATOM 2096 H1 H2O 7 29 20.550 18.979 19.525 0.00 0.00 -ATOM 2097 H2 H2O 7 29 19.011 18.912 20.069 0.00 0.00 -ATOM 2098 O1 H2O 8 30 15.369 0.425 20.544 0.00 0.00 -ATOM 2099 H1 H2O 8 30 14.537 0.701 20.063 0.00 0.00 -ATOM 2100 H2 H2O 8 30 15.615 1.126 21.214 0.00 0.00 -ATOM 2101 O1 H2O 9 31 3.864 8.315 19.817 0.00 0.00 -ATOM 2102 H1 H2O 9 31 4.254 7.481 19.426 0.00 0.00 -ATOM 2103 H2 H2O 9 31 3.438 8.103 20.696 0.00 0.00 -ATOM 2104 O1 H2O 0 32 29.409 17.519 19.838 0.00 0.00 -ATOM 2105 H1 H2O 0 32 28.449 17.749 19.995 0.00 0.00 -ATOM 2106 H2 H2O 0 32 29.503 16.529 19.732 0.00 0.00 -ATOM 2107 O1 H2O 1 33 18.536 5.562 19.748 0.00 0.00 -ATOM 2108 H1 H2O 1 33 18.081 4.676 19.660 0.00 0.00 -ATOM 2109 H2 H2O 1 33 17.865 6.295 19.636 0.00 0.00 -ATOM 2110 O1 H2O 2 34 26.230 0.485 19.714 0.00 0.00 -ATOM 2111 H1 H2O 2 34 25.660 1.286 19.532 0.00 0.00 -ATOM 2112 H2 H2O 2 34 27.148 0.782 19.975 0.00 0.00 -ATOM 2113 O1 H2O 3 35 21.518 8.479 22.722 0.00 0.00 -ATOM 2114 H1 H2O 3 35 22.085 9.278 22.921 0.00 0.00 -ATOM 2115 H2 H2O 3 35 21.964 7.657 23.076 0.00 0.00 -ATOM 2116 O1 H2O 4 36 12.705 14.850 23.350 0.00 0.00 -ATOM 2117 H1 H2O 4 36 13.161 15.709 23.583 0.00 0.00 -ATOM 2118 H2 H2O 4 36 13.375 14.108 23.339 0.00 0.00 -ATOM 2119 O1 H2O 5 37 21.751 4.484 20.326 0.00 0.00 -ATOM 2120 H1 H2O 5 37 22.209 3.823 19.732 0.00 0.00 -ATOM 2121 H2 H2O 5 37 20.865 4.728 19.931 0.00 0.00 -ATOM 2122 O1 H2O 6 38 16.293 15.752 22.417 0.00 0.00 -ATOM 2123 H1 H2O 6 38 15.879 16.232 23.191 0.00 0.00 -ATOM 2124 H2 H2O 6 38 16.003 16.185 21.564 0.00 0.00 -ATOM 2125 O1 H2O 7 39 9.395 24.951 21.365 0.00 0.00 -ATOM 2126 H1 H2O 7 39 9.172 24.338 20.607 0.00 0.00 -ATOM 2127 H2 H2O 7 39 8.735 25.702 21.393 0.00 0.00 -ATOM 2128 O1 H2O 8 40 8.869 7.733 20.338 0.00 0.00 -ATOM 2129 H1 H2O 8 40 9.837 7.971 20.252 0.00 0.00 -ATOM 2130 H2 H2O 8 40 8.661 6.959 19.740 0.00 0.00 -ATOM 2131 O1 H2O 9 41 27.817 12.732 23.199 0.00 0.00 -ATOM 2132 H1 H2O 9 41 28.577 13.296 23.524 0.00 0.00 -ATOM 2133 H2 H2O 9 41 27.360 13.195 22.439 0.00 0.00 -ATOM 2134 O1 H2O 0 42 24.082 0.526 22.518 0.00 0.00 -ATOM 2135 H1 H2O 0 42 24.749 -0.186 22.301 0.00 0.00 -ATOM 2136 H2 H2O 0 42 24.556 1.327 22.884 0.00 0.00 -ATOM 2137 O1 H2O 1 43 19.007 22.366 23.063 0.00 0.00 -ATOM 2138 H1 H2O 1 43 19.753 23.007 23.245 0.00 0.00 -ATOM 2139 H2 H2O 1 43 19.122 21.551 23.631 0.00 0.00 -ATOM 2140 O1 H2O 2 44 28.677 5.785 19.628 0.00 0.00 -ATOM 2141 H1 H2O 2 44 29.075 6.608 20.035 0.00 0.00 -ATOM 2142 H2 H2O 2 44 27.710 5.945 19.431 0.00 0.00 -ATOM 2143 O1 H2O 3 45 4.464 19.058 23.298 0.00 0.00 -ATOM 2144 H1 H2O 3 45 3.680 19.495 22.857 0.00 0.00 -ATOM 2145 H2 H2O 3 45 4.286 18.079 23.400 0.00 0.00 -ATOM 2146 O1 H2O 4 46 20.254 27.596 19.851 0.00 0.00 -ATOM 2147 H1 H2O 4 46 20.780 28.038 19.124 0.00 0.00 -ATOM 2148 H2 H2O 4 46 19.321 27.955 19.853 0.00 0.00 -ATOM 2149 O1 H2O 5 47 29.119 20.571 22.887 0.00 0.00 -ATOM 2150 H1 H2O 5 47 28.919 20.669 21.912 0.00 0.00 -ATOM 2151 H2 H2O 5 47 28.285 20.313 23.374 0.00 0.00 -ATOM 2152 O1 H2O 6 48 5.518 7.240 22.869 0.00 0.00 -ATOM 2153 H1 H2O 6 48 5.893 7.987 22.321 0.00 0.00 -ATOM 2154 H2 H2O 6 48 6.206 6.930 23.525 0.00 0.00 -ATOM 2155 O1 H2O 7 49 24.995 19.698 19.745 0.00 0.00 -ATOM 2156 H1 H2O 7 49 24.339 19.185 20.299 0.00 0.00 -ATOM 2157 H2 H2O 7 49 24.715 20.657 19.701 0.00 0.00 -ATOM 2158 O1 H2O 8 50 12.506 26.894 23.088 0.00 0.00 -ATOM 2159 H1 H2O 8 50 12.933 27.001 22.190 0.00 0.00 -ATOM 2160 H2 H2O 8 50 12.223 27.790 23.432 0.00 0.00 -ATOM 2161 O1 H2O 9 51 13.650 7.150 22.654 0.00 0.00 -ATOM 2162 H1 H2O 9 51 13.699 7.805 21.900 0.00 0.00 -ATOM 2163 H2 H2O 9 51 12.735 7.174 23.057 0.00 0.00 -ATOM 2164 O1 H2O 0 52 26.581 19.620 23.742 0.00 0.00 -ATOM 2165 H1 H2O 0 52 25.870 20.206 23.352 0.00 0.00 -ATOM 2166 H2 H2O 0 52 26.796 19.929 24.669 0.00 0.00 -ATOM 2167 O1 H2O 1 53 18.597 19.749 23.661 0.00 0.00 -ATOM 2168 H1 H2O 1 53 19.314 19.060 23.560 0.00 0.00 -ATOM 2169 H2 H2O 1 53 17.769 19.439 23.194 0.00 0.00 -ATOM 2170 O1 H2O 2 54 0.409 8.796 23.781 0.00 0.00 -ATOM 2171 H1 H2O 2 54 1.186 9.403 23.951 0.00 0.00 -ATOM 2172 H2 H2O 2 54 -0.365 9.332 23.445 0.00 0.00 -ATOM 2173 O1 H2O 3 55 11.272 10.488 23.362 0.00 0.00 -ATOM 2174 H1 H2O 3 55 11.587 10.462 22.413 0.00 0.00 -ATOM 2175 H2 H2O 3 55 12.062 10.525 23.974 0.00 0.00 -ATOM 2176 O1 H2O 4 56 2.148 0.617 20.218 0.00 0.00 -ATOM 2177 H1 H2O 4 56 1.982 1.147 21.050 0.00 0.00 -ATOM 2178 H2 H2O 4 56 3.124 0.636 20.000 0.00 0.00 -ATOM 2179 O1 H2O 5 57 14.572 23.512 20.909 0.00 0.00 -ATOM 2180 H1 H2O 5 57 15.564 23.481 20.781 0.00 0.00 -ATOM 2181 H2 H2O 5 57 14.217 24.376 20.553 0.00 0.00 -ATOM 2182 O1 H2O 6 58 16.397 23.850 23.178 0.00 0.00 -ATOM 2183 H1 H2O 6 58 16.982 23.080 23.433 0.00 0.00 -ATOM 2184 H2 H2O 6 58 15.448 23.637 23.409 0.00 0.00 -ATOM 2185 O1 H2O 7 59 26.893 18.031 20.052 0.00 0.00 -ATOM 2186 H1 H2O 7 59 26.492 17.454 20.763 0.00 0.00 -ATOM 2187 H2 H2O 7 59 26.186 18.626 19.668 0.00 0.00 -ATOM 2188 O1 H2O 8 60 21.079 10.789 19.826 0.00 0.00 -ATOM 2189 H1 H2O 8 60 21.296 11.297 18.993 0.00 0.00 -ATOM 2190 H2 H2O 8 60 21.381 9.841 19.727 0.00 0.00 -ATOM 2191 O1 H2O 9 61 5.075 1.267 23.446 0.00 0.00 -ATOM 2192 H1 H2O 9 61 5.988 1.007 23.762 0.00 0.00 -ATOM 2193 H2 H2O 9 61 4.471 0.470 23.480 0.00 0.00 -ATOM 2194 O1 H2O 0 62 1.417 14.428 23.608 0.00 0.00 -ATOM 2195 H1 H2O 0 62 1.260 15.361 23.933 0.00 0.00 -ATOM 2196 H2 H2O 0 62 2.399 14.243 23.585 0.00 0.00 -ATOM 2197 O1 H2O 1 63 25.186 9.117 23.420 0.00 0.00 -ATOM 2198 H1 H2O 1 63 24.603 9.785 23.881 0.00 0.00 -ATOM 2199 H2 H2O 1 63 25.075 9.203 22.430 0.00 0.00 -ATOM 2200 O1 H2O 2 64 18.919 21.477 20.465 0.00 0.00 -ATOM 2201 H1 H2O 2 64 19.066 21.655 21.438 0.00 0.00 -ATOM 2202 H2 H2O 2 64 18.206 20.784 20.357 0.00 0.00 -ATOM 2203 O1 H2O 3 65 21.412 22.462 19.833 0.00 0.00 -ATOM 2204 H1 H2O 3 65 21.305 23.437 20.025 0.00 0.00 -ATOM 2205 H2 H2O 3 65 20.533 22.000 19.953 0.00 0.00 -ATOM 2206 O1 H2O 4 66 1.000 17.283 23.150 0.00 0.00 -ATOM 2207 H1 H2O 4 66 1.389 18.023 23.699 0.00 0.00 -ATOM 2208 H2 H2O 4 66 1.642 17.032 22.426 0.00 0.00 -ATOM 2209 O1 H2O 5 67 3.695 28.834 23.780 0.00 0.00 -ATOM 2210 H1 H2O 5 67 4.317 28.126 24.113 0.00 0.00 -ATOM 2211 H2 H2O 5 67 2.815 28.420 23.544 0.00 0.00 -ATOM 2212 O1 H2O 6 68 16.007 29.141 23.878 0.00 0.00 -ATOM 2213 H1 H2O 6 68 15.751 28.179 23.773 0.00 0.00 -ATOM 2214 H2 H2O 6 68 15.205 29.670 24.156 0.00 0.00 -ATOM 2215 O1 H2O 7 69 24.930 8.941 20.509 0.00 0.00 -ATOM 2216 H1 H2O 7 69 24.000 8.667 20.266 0.00 0.00 -ATOM 2217 H2 H2O 7 69 25.026 9.930 20.400 0.00 0.00 -ATOM 2218 O1 H2O 8 70 14.163 10.427 23.761 0.00 0.00 -ATOM 2219 H1 H2O 8 70 14.711 10.180 22.963 0.00 0.00 -ATOM 2220 H2 H2O 8 70 13.956 9.604 24.291 0.00 0.00 -ATOM 2221 O1 H2O 9 71 19.610 10.562 23.112 0.00 0.00 -ATOM 2222 H1 H2O 9 71 19.965 11.494 23.042 0.00 0.00 -ATOM 2223 H2 H2O 9 71 20.268 9.924 22.713 0.00 0.00 -ATOM 2224 O1 H2O 0 72 2.560 18.225 19.825 0.00 0.00 -ATOM 2225 H1 H2O 0 72 2.779 19.184 20.008 0.00 0.00 -ATOM 2226 H2 H2O 0 72 1.569 18.119 19.744 0.00 0.00 -ATOM 2227 O1 H2O 1 73 11.135 29.377 23.530 0.00 0.00 -ATOM 2228 H1 H2O 1 73 10.821 30.286 23.255 0.00 0.00 -ATOM 2229 H2 H2O 1 73 10.345 28.779 23.667 0.00 0.00 -ATOM 2230 O1 H2O 2 74 23.630 27.827 20.130 0.00 0.00 -ATOM 2231 H1 H2O 2 74 23.660 27.671 21.117 0.00 0.00 -ATOM 2232 H2 H2O 2 74 23.097 28.652 19.938 0.00 0.00 -ATOM 2233 O1 H2O 3 75 20.395 17.704 22.971 0.00 0.00 -ATOM 2234 H1 H2O 3 75 20.440 16.772 23.331 0.00 0.00 -ATOM 2235 H2 H2O 3 75 20.211 17.673 21.988 0.00 0.00 -ATOM 2236 O1 H2O 4 76 23.006 13.117 21.066 0.00 0.00 -ATOM 2237 H1 H2O 4 76 22.332 12.381 21.000 0.00 0.00 -ATOM 2238 H2 H2O 4 76 22.734 13.754 21.787 0.00 0.00 -ATOM 2239 O1 H2O 5 77 9.758 12.404 20.787 0.00 0.00 -ATOM 2240 H1 H2O 5 77 10.167 13.054 21.428 0.00 0.00 -ATOM 2241 H2 H2O 5 77 10.413 11.673 20.591 0.00 0.00 -ATOM 2242 O1 H2O 6 78 27.602 21.885 20.634 0.00 0.00 -ATOM 2243 H1 H2O 6 78 27.642 22.661 20.005 0.00 0.00 -ATOM 2244 H2 H2O 6 78 28.329 21.236 20.411 0.00 0.00 -ATOM 2245 O1 H2O 7 79 8.393 4.645 22.876 0.00 0.00 -ATOM 2246 H1 H2O 7 79 7.541 4.172 23.099 0.00 0.00 -ATOM 2247 H2 H2O 7 79 8.324 5.603 23.154 0.00 0.00 -ATOM 2248 O1 H2O 8 80 6.738 23.472 23.347 0.00 0.00 -ATOM 2249 H1 H2O 8 80 5.744 23.365 23.353 0.00 0.00 -ATOM 2250 H2 H2O 8 80 7.165 22.645 23.711 0.00 0.00 -ATOM 2251 O1 H2O 9 81 27.876 0.100 22.167 0.00 0.00 -ATOM 2252 H1 H2O 9 81 28.170 0.036 21.213 0.00 0.00 -ATOM 2253 H2 H2O 9 81 27.946 1.049 22.474 0.00 0.00 -ATOM 2254 O1 H2O 0 82 23.631 27.339 22.766 0.00 0.00 -ATOM 2255 H1 H2O 0 82 24.158 27.931 23.375 0.00 0.00 -ATOM 2256 H2 H2O 0 82 22.670 27.615 22.781 0.00 0.00 -ATOM 2257 O1 H2O 1 83 17.249 9.078 19.799 0.00 0.00 -ATOM 2258 H1 H2O 1 83 16.686 9.745 20.289 0.00 0.00 -ATOM 2259 H2 H2O 1 83 17.953 8.722 20.413 0.00 0.00 -ATOM 2260 O1 H2O 2 84 0.484 23.999 20.218 0.00 0.00 -ATOM 2261 H1 H2O 2 84 -0.378 24.397 19.903 0.00 0.00 -ATOM 2262 H2 H2O 2 84 0.318 23.458 21.043 0.00 0.00 -ATOM 2263 O1 H2O 3 85 27.960 2.720 20.196 0.00 0.00 -ATOM 2264 H1 H2O 3 85 27.634 3.528 19.704 0.00 0.00 -ATOM 2265 H2 H2O 3 85 28.908 2.863 20.480 0.00 0.00 -ATOM 2266 O1 H2O 4 86 9.995 2.507 19.853 0.00 0.00 -ATOM 2267 H1 H2O 4 86 10.065 3.505 19.843 0.00 0.00 -ATOM 2268 H2 H2O 4 86 9.570 2.194 19.003 0.00 0.00 -ATOM 2269 O1 H2O 5 87 29.119 29.444 19.646 0.00 0.00 -ATOM 2270 H1 H2O 5 87 28.762 28.530 19.455 0.00 0.00 -ATOM 2271 H2 H2O 5 87 30.117 29.431 19.589 0.00 0.00 -ATOM 2272 O1 H2O 6 88 18.915 14.904 22.828 0.00 0.00 -ATOM 2273 H1 H2O 6 88 19.435 15.161 22.014 0.00 0.00 -ATOM 2274 H2 H2O 6 88 17.974 15.230 22.740 0.00 0.00 -ATOM 2275 O1 H2O 7 89 22.613 15.513 20.019 0.00 0.00 -ATOM 2276 H1 H2O 7 89 21.701 15.607 19.619 0.00 0.00 -ATOM 2277 H2 H2O 7 89 22.792 14.550 20.219 0.00 0.00 -ATOM 2278 O1 H2O 8 90 6.746 12.612 20.532 0.00 0.00 -ATOM 2279 H1 H2O 8 90 6.175 11.880 20.162 0.00 0.00 -ATOM 2280 H2 H2O 8 90 7.707 12.338 20.492 0.00 0.00 -ATOM 2281 O1 H2O 9 91 7.455 20.350 20.443 0.00 0.00 -ATOM 2282 H1 H2O 9 91 7.779 19.455 20.139 0.00 0.00 -ATOM 2283 H2 H2O 9 91 6.539 20.258 20.834 0.00 0.00 -ATOM 2284 O1 H2O 0 92 0.302 14.716 19.736 0.00 0.00 -ATOM 2285 H1 H2O 0 92 -0.394 14.740 20.454 0.00 0.00 -ATOM 2286 H2 H2O 0 92 0.410 13.777 19.408 0.00 0.00 -ATOM 2287 O1 H2O 1 93 7.858 22.796 19.703 0.00 0.00 -ATOM 2288 H1 H2O 1 93 7.501 21.904 19.978 0.00 0.00 -ATOM 2289 H2 H2O 1 93 7.999 22.808 18.713 0.00 0.00 -ATOM 2290 O1 H2O 2 94 25.082 11.480 20.383 0.00 0.00 -ATOM 2291 H1 H2O 2 94 24.228 12.000 20.390 0.00 0.00 -ATOM 2292 H2 H2O 2 94 25.857 12.111 20.413 0.00 0.00 -ATOM 2293 O1 H2O 3 95 25.116 12.145 23.440 0.00 0.00 -ATOM 2294 H1 H2O 3 95 24.949 12.126 22.454 0.00 0.00 -ATOM 2295 H2 H2O 3 95 26.097 12.238 23.610 0.00 0.00 -ATOM 2296 O1 H2O 4 96 5.380 18.432 20.394 0.00 0.00 -ATOM 2297 H1 H2O 4 96 5.214 18.285 21.369 0.00 0.00 -ATOM 2298 H2 H2O 4 96 4.512 18.398 19.899 0.00 0.00 -ATOM 2299 O1 H2O 5 97 8.423 17.745 19.875 0.00 0.00 -ATOM 2300 H1 H2O 5 97 8.782 16.892 20.254 0.00 0.00 -ATOM 2301 H2 H2O 5 97 7.499 17.591 19.525 0.00 0.00 -ATOM 2302 O1 H2O 6 98 7.461 28.856 20.250 0.00 0.00 -ATOM 2303 H1 H2O 6 98 7.562 29.715 20.752 0.00 0.00 -ATOM 2304 H2 H2O 6 98 6.913 29.012 19.428 0.00 0.00 -ATOM 2305 O1 H2O 7 99 20.882 24.672 22.853 0.00 0.00 -ATOM 2306 H1 H2O 7 99 21.128 24.962 21.928 0.00 0.00 -ATOM 2307 H2 H2O 7 99 21.539 23.991 23.175 0.00 0.00 -ATOM 2308 O1 H2O 8 100 14.736 13.036 23.260 0.00 0.00 -ATOM 2309 H1 H2O 8 100 15.628 13.073 23.710 0.00 0.00 -ATOM 2310 H2 H2O 8 100 14.306 12.152 23.444 0.00 0.00 -ATOM 2311 O1 H2O 9 101 22.684 6.331 23.875 0.00 0.00 -ATOM 2312 H1 H2O 9 101 22.304 5.563 23.359 0.00 0.00 -ATOM 2313 H2 H2O 9 101 22.761 6.079 24.839 0.00 0.00 -ATOM 2314 O1 H2O 0 102 11.701 7.765 20.206 0.00 0.00 -ATOM 2315 H1 H2O 0 102 12.645 8.005 19.980 0.00 0.00 -ATOM 2316 H2 H2O 0 102 11.647 6.789 20.418 0.00 0.00 -ATOM 2317 O1 H2O 1 103 5.156 22.726 20.893 0.00 0.00 -ATOM 2318 H1 H2O 1 103 5.960 23.133 20.458 0.00 0.00 -ATOM 2319 H2 H2O 1 103 4.364 22.828 20.292 0.00 0.00 -ATOM 2320 O1 H2O 2 104 9.144 27.819 23.889 0.00 0.00 -ATOM 2321 H1 H2O 2 104 8.672 27.249 23.217 0.00 0.00 -ATOM 2322 H2 H2O 2 104 9.334 27.278 24.709 0.00 0.00 -ATOM 2323 O1 H2O 3 105 23.390 17.925 21.057 0.00 0.00 -ATOM 2324 H1 H2O 3 105 23.194 17.634 21.993 0.00 0.00 -ATOM 2325 H2 H2O 3 105 23.224 17.164 20.429 0.00 0.00 -ATOM 2326 O1 H2O 4 106 12.934 21.232 20.438 0.00 0.00 -ATOM 2327 H1 H2O 4 106 13.522 22.017 20.637 0.00 0.00 -ATOM 2328 H2 H2O 4 106 13.496 20.410 20.346 0.00 0.00 -ATOM 2329 O1 H2O 5 107 1.210 12.320 21.919 0.00 0.00 -ATOM 2330 H1 H2O 5 107 0.976 13.069 22.539 0.00 0.00 -ATOM 2331 H2 H2O 5 107 0.474 12.196 21.254 0.00 0.00 -ATOM 2332 O1 H2O 6 108 17.538 14.345 20.109 0.00 0.00 -ATOM 2333 H1 H2O 6 108 17.990 13.456 20.038 0.00 0.00 -ATOM 2334 H2 H2O 6 108 16.823 14.301 20.807 0.00 0.00 -ATOM 2335 O1 H2O 7 109 7.496 4.488 20.111 0.00 0.00 -ATOM 2336 H1 H2O 7 109 7.644 4.424 21.098 0.00 0.00 -ATOM 2337 H2 H2O 7 109 7.788 3.637 19.675 0.00 0.00 -ATOM 2338 O1 H2O 8 110 17.409 12.660 23.805 0.00 0.00 -ATOM 2339 H1 H2O 8 110 17.891 13.501 23.562 0.00 0.00 -ATOM 2340 H2 H2O 8 110 17.931 12.165 24.500 0.00 0.00 -ATOM 2341 O1 H2O 9 111 21.727 1.437 23.779 0.00 0.00 -ATOM 2342 H1 H2O 9 111 21.940 1.258 24.740 0.00 0.00 -ATOM 2343 H2 H2O 9 111 22.436 1.034 23.200 0.00 0.00 -ATOM 2344 O1 H2O 0 112 10.317 13.382 23.356 0.00 0.00 -ATOM 2345 H1 H2O 0 112 10.429 12.484 23.781 0.00 0.00 -ATOM 2346 H2 H2O 0 112 11.021 14.004 23.700 0.00 0.00 -ATOM 2347 O1 H2O 1 113 13.999 20.275 23.428 0.00 0.00 -ATOM 2348 H1 H2O 1 113 14.422 20.949 24.033 0.00 0.00 -ATOM 2349 H2 H2O 1 113 13.057 20.110 23.719 0.00 0.00 -ATOM 2350 O1 H2O 2 114 2.839 20.829 20.402 0.00 0.00 -ATOM 2351 H1 H2O 2 114 2.611 20.970 21.365 0.00 0.00 -ATOM 2352 H2 H2O 2 114 3.128 21.697 19.997 0.00 0.00 -ATOM 2353 O1 H2O 3 115 14.300 11.461 20.571 0.00 0.00 -ATOM 2354 H1 H2O 3 115 14.053 12.423 20.448 0.00 0.00 -ATOM 2355 H2 H2O 3 115 15.200 11.401 21.003 0.00 0.00 -ATOM 2356 O1 H2O 4 116 19.497 8.103 20.956 0.00 0.00 -ATOM 2357 H1 H2O 4 116 19.365 7.123 20.812 0.00 0.00 -ATOM 2358 H2 H2O 4 116 20.111 8.247 21.732 0.00 0.00 -ATOM 2359 O1 H2O 5 117 2.338 20.774 23.052 0.00 0.00 -ATOM 2360 H1 H2O 5 117 2.845 21.478 23.549 0.00 0.00 -ATOM 2361 H2 H2O 5 117 1.363 20.995 23.063 0.00 0.00 -ATOM 2362 O1 H2O 6 118 11.138 7.289 23.713 0.00 0.00 -ATOM 2363 H1 H2O 6 118 10.273 6.926 23.366 0.00 0.00 -ATOM 2364 H2 H2O 6 118 10.961 8.106 24.261 0.00 0.00 -ATOM 2365 O1 H2O 7 119 16.855 5.837 23.439 0.00 0.00 -ATOM 2366 H1 H2O 7 119 17.180 6.735 23.733 0.00 0.00 -ATOM 2367 H2 H2O 7 119 17.638 5.243 23.253 0.00 0.00 -ATOM 2368 O1 H2O 8 120 8.261 7.378 23.018 0.00 0.00 -ATOM 2369 H1 H2O 8 120 8.278 8.281 23.448 0.00 0.00 -ATOM 2370 H2 H2O 8 120 8.116 7.479 22.034 0.00 0.00 -ATOM 2371 O1 H2O 9 121 5.701 15.104 20.169 0.00 0.00 -ATOM 2372 H1 H2O 9 121 6.030 14.200 20.444 0.00 0.00 -ATOM 2373 H2 H2O 9 121 4.719 15.060 19.987 0.00 0.00 -ATOM 2374 O1 H2O 0 122 18.575 28.268 23.571 0.00 0.00 -ATOM 2375 H1 H2O 0 122 17.681 28.630 23.838 0.00 0.00 -ATOM 2376 H2 H2O 0 122 18.469 27.329 23.243 0.00 0.00 -ATOM 2377 O1 H2O 1 123 20.583 13.040 23.612 0.00 0.00 -ATOM 2378 H1 H2O 1 123 19.886 13.681 23.291 0.00 0.00 -ATOM 2379 H2 H2O 1 123 21.460 13.513 23.690 0.00 0.00 -ATOM 2380 O1 H2O 2 124 13.552 3.148 20.060 0.00 0.00 -ATOM 2381 H1 H2O 2 124 13.261 2.444 19.412 0.00 0.00 -ATOM 2382 H2 H2O 2 124 13.752 3.994 19.566 0.00 0.00 -ATOM 2383 O1 H2O 3 125 21.641 20.082 22.192 0.00 0.00 -ATOM 2384 H1 H2O 3 125 21.242 19.268 22.615 0.00 0.00 -ATOM 2385 H2 H2O 3 125 22.336 19.806 21.529 0.00 0.00 -ATOM 2386 O1 H2O 4 126 26.021 17.044 22.861 0.00 0.00 -ATOM 2387 H1 H2O 4 126 26.306 17.952 23.169 0.00 0.00 -ATOM 2388 H2 H2O 4 126 25.023 17.006 22.814 0.00 0.00 -ATOM 2389 O1 H2O 5 127 16.902 25.946 20.727 0.00 0.00 -ATOM 2390 H1 H2O 5 127 17.534 26.102 21.486 0.00 0.00 -ATOM 2391 H2 H2O 5 127 17.168 25.115 20.238 0.00 0.00 -ATOM 2392 O1 H2O 6 128 5.041 10.856 19.822 0.00 0.00 -ATOM 2393 H1 H2O 6 128 4.753 9.927 19.590 0.00 0.00 -ATOM 2394 H2 H2O 6 128 4.244 11.392 20.101 0.00 0.00 -ATOM 2395 O1 H2O 7 129 13.561 0.727 23.658 0.00 0.00 -ATOM 2396 H1 H2O 7 129 12.847 0.036 23.545 0.00 0.00 -ATOM 2397 H2 H2O 7 129 13.264 1.584 23.236 0.00 0.00 -ATOM 2398 O1 H2O 8 130 6.617 9.304 21.332 0.00 0.00 -ATOM 2399 H1 H2O 8 130 6.131 10.143 21.089 0.00 0.00 -ATOM 2400 H2 H2O 8 130 6.667 8.704 20.533 0.00 0.00 -ATOM 2401 O1 H2O 9 131 13.718 23.598 23.606 0.00 0.00 -ATOM 2402 H1 H2O 9 131 13.598 23.484 22.620 0.00 0.00 -ATOM 2403 H2 H2O 9 131 12.822 23.613 24.052 0.00 0.00 -ATOM 2404 O1 H2O 0 132 25.179 2.769 23.348 0.00 0.00 -ATOM 2405 H1 H2O 0 132 25.075 3.704 23.687 0.00 0.00 -ATOM 2406 H2 H2O 0 132 26.039 2.691 22.843 0.00 0.00 -ATOM 2407 O1 H2O 1 133 1.189 5.920 23.419 0.00 0.00 -ATOM 2408 H1 H2O 1 133 2.020 5.822 22.871 0.00 0.00 -ATOM 2409 H2 H2O 1 133 0.929 6.885 23.460 0.00 0.00 -ATOM 2410 O1 H2O 2 134 8.453 10.108 23.432 0.00 0.00 -ATOM 2411 H1 H2O 2 134 9.433 9.933 23.338 0.00 0.00 -ATOM 2412 H2 H2O 2 134 8.072 10.357 22.541 0.00 0.00 -ATOM 2413 O1 H2O 3 135 3.754 23.163 23.971 0.00 0.00 -ATOM 2414 H1 H2O 3 135 3.690 23.933 23.337 0.00 0.00 -ATOM 2415 H2 H2O 3 135 3.617 23.489 24.907 0.00 0.00 -ATOM 2416 O1 H2O 4 136 17.591 28.532 20.091 0.00 0.00 -ATOM 2417 H1 H2O 4 136 17.193 27.643 20.318 0.00 0.00 -ATOM 2418 H2 H2O 4 136 16.916 29.251 20.255 0.00 0.00 -ATOM 2419 O1 H2O 5 137 25.900 5.665 19.916 0.00 0.00 -ATOM 2420 H1 H2O 5 137 25.121 6.280 19.799 0.00 0.00 -ATOM 2421 H2 H2O 5 137 25.974 5.401 20.878 0.00 0.00 -ATOM 2422 O1 H2O 6 138 0.716 4.000 21.128 0.00 0.00 -ATOM 2423 H1 H2O 6 138 0.250 4.725 20.621 0.00 0.00 -ATOM 2424 H2 H2O 6 138 1.671 3.951 20.837 0.00 0.00 -ATOM 2425 O1 H2O 7 139 11.178 24.472 23.468 0.00 0.00 -ATOM 2426 H1 H2O 7 139 10.436 24.470 22.797 0.00 0.00 -ATOM 2427 H2 H2O 7 139 11.670 25.341 23.417 0.00 0.00 -ATOM 2428 O1 H2O 8 140 2.938 15.529 19.691 0.00 0.00 -ATOM 2429 H1 H2O 8 140 1.955 15.344 19.678 0.00 0.00 -ATOM 2430 H2 H2O 8 140 3.091 16.510 19.806 0.00 0.00 -ATOM 2431 O1 H2O 9 141 24.243 2.373 19.663 0.00 0.00 -ATOM 2432 H1 H2O 9 141 24.185 2.803 20.564 0.00 0.00 -ATOM 2433 H2 H2O 9 141 24.171 3.074 18.954 0.00 0.00 -ATOM 2434 O1 H2O 0 142 0.371 27.564 21.664 0.00 0.00 -ATOM 2435 H1 H2O 0 142 0.023 26.881 22.306 0.00 0.00 -ATOM 2436 H2 H2O 0 142 0.168 28.480 22.009 0.00 0.00 -ATOM 2437 O1 H2O 1 143 14.532 4.690 23.358 0.00 0.00 -ATOM 2438 H1 H2O 1 143 15.513 4.864 23.447 0.00 0.00 -ATOM 2439 H2 H2O 1 143 14.074 5.519 23.037 0.00 0.00 -ATOM 2440 O1 H2O 2 144 8.967 15.002 20.409 0.00 0.00 -ATOM 2441 H1 H2O 2 144 9.194 14.059 20.650 0.00 0.00 -ATOM 2442 H2 H2O 2 144 8.234 15.005 19.728 0.00 0.00 -ATOM 2443 O1 H2O 3 145 14.427 25.767 19.534 0.00 0.00 -ATOM 2444 H1 H2O 3 145 15.153 26.215 20.056 0.00 0.00 -ATOM 2445 H2 H2O 3 145 14.313 26.232 18.655 0.00 0.00 -ATOM 2446 O1 H2O 4 146 16.098 2.386 22.449 0.00 0.00 -ATOM 2447 H1 H2O 4 146 16.572 2.977 21.796 0.00 0.00 -ATOM 2448 H2 H2O 4 146 15.392 2.912 22.923 0.00 0.00 -ATOM 2449 O1 H2O 5 147 18.364 11.668 20.271 0.00 0.00 -ATOM 2450 H1 H2O 5 147 19.263 11.231 20.306 0.00 0.00 -ATOM 2451 H2 H2O 5 147 17.716 11.061 19.810 0.00 0.00 -ATOM 2452 O1 H2O 6 148 4.935 1.922 20.576 0.00 0.00 -ATOM 2453 H1 H2O 6 148 4.942 1.720 21.555 0.00 0.00 -ATOM 2454 H2 H2O 6 148 5.867 1.868 20.217 0.00 0.00 -ATOM 2455 O1 H2O 7 149 3.914 25.095 22.011 0.00 0.00 -ATOM 2456 H1 H2O 7 149 4.202 24.258 21.546 0.00 0.00 -ATOM 2457 H2 H2O 7 149 3.354 25.644 21.391 0.00 0.00 -ATOM 2458 O1 H2O 8 150 3.220 8.384 22.428 0.00 0.00 -ATOM 2459 H1 H2O 8 150 4.122 8.145 22.786 0.00 0.00 -ATOM 2460 H2 H2O 8 150 2.924 9.253 22.824 0.00 0.00 -ATOM 2461 O1 H2O 9 151 4.144 13.904 23.432 0.00 0.00 -ATOM 2462 H1 H2O 9 151 4.535 14.789 23.684 0.00 0.00 -ATOM 2463 H2 H2O 9 151 4.871 13.219 23.389 0.00 0.00 -ATOM 2464 O1 H2O 0 152 6.468 16.081 22.824 0.00 0.00 -ATOM 2465 H1 H2O 0 152 6.043 15.962 21.927 0.00 0.00 -ATOM 2466 H2 H2O 0 152 6.903 15.225 23.103 0.00 0.00 -ATOM 2467 O1 H2O 1 153 27.899 9.602 20.587 0.00 0.00 -ATOM 2468 H1 H2O 1 153 27.043 9.230 20.228 0.00 0.00 -ATOM 2469 H2 H2O 1 153 27.815 9.741 21.574 0.00 0.00 -ATOM 2470 O1 H2O 2 154 28.301 4.463 23.350 0.00 0.00 -ATOM 2471 H1 H2O 2 154 27.793 5.289 23.594 0.00 0.00 -ATOM 2472 H2 H2O 2 154 29.282 4.655 23.376 0.00 0.00 -ATOM 2473 O1 H2O 3 155 5.771 11.360 23.819 0.00 0.00 -ATOM 2474 H1 H2O 3 155 6.405 10.605 23.984 0.00 0.00 -ATOM 2475 H2 H2O 3 155 4.902 11.173 24.277 0.00 0.00 -ATOM 2476 O1 H2O 4 156 3.570 5.524 22.139 0.00 0.00 -ATOM 2477 H1 H2O 4 156 4.149 6.337 22.206 0.00 0.00 -ATOM 2478 H2 H2O 4 156 3.754 5.055 21.275 0.00 0.00 -ATOM 2479 O1 H2O 5 157 8.330 18.143 23.243 0.00 0.00 -ATOM 2480 H1 H2O 5 157 7.878 19.034 23.209 0.00 0.00 -ATOM 2481 H2 H2O 5 157 7.640 17.421 23.298 0.00 0.00 -ATOM 2482 O1 H2O 6 158 11.737 26.066 20.064 0.00 0.00 -ATOM 2483 H1 H2O 6 158 11.227 25.207 20.097 0.00 0.00 -ATOM 2484 H2 H2O 6 158 12.707 25.872 19.921 0.00 0.00 -ATOM 2485 O1 H2O 7 159 22.447 8.298 19.974 0.00 0.00 -ATOM 2486 H1 H2O 7 159 22.500 7.311 19.819 0.00 0.00 -ATOM 2487 H2 H2O 7 159 22.167 8.473 20.918 0.00 0.00 -ATOM 2488 O1 H2O 8 160 23.126 17.190 23.730 0.00 0.00 -ATOM 2489 H1 H2O 8 160 23.497 17.474 24.614 0.00 0.00 -ATOM 2490 H2 H2O 8 160 22.223 17.600 23.601 0.00 0.00 -ATOM 2491 O1 H2O 9 161 2.710 3.583 23.742 0.00 0.00 -ATOM 2492 H1 H2O 9 161 2.790 4.150 22.922 0.00 0.00 -ATOM 2493 H2 H2O 9 161 2.162 4.063 24.427 0.00 0.00 -ATOM 2494 O1 H2O 0 162 2.166 26.329 20.080 0.00 0.00 -ATOM 2495 H1 H2O 0 162 1.600 25.511 19.982 0.00 0.00 -ATOM 2496 H2 H2O 0 162 1.717 26.971 20.702 0.00 0.00 -ATOM 2497 O1 H2O 1 163 9.311 22.077 22.214 0.00 0.00 -ATOM 2498 H1 H2O 1 163 8.746 21.616 21.529 0.00 0.00 -ATOM 2499 H2 H2O 1 163 9.188 23.066 22.136 0.00 0.00 -ATOM 2500 O1 H2O 2 164 26.918 23.840 23.582 0.00 0.00 -ATOM 2501 H1 H2O 2 164 26.261 24.590 23.654 0.00 0.00 -ATOM 2502 H2 H2O 2 164 26.466 23.036 23.195 0.00 0.00 -ATOM 2503 O1 H2O 3 165 7.525 26.733 21.921 0.00 0.00 -ATOM 2504 H1 H2O 3 165 7.382 27.504 21.301 0.00 0.00 -ATOM 2505 H2 H2O 3 165 6.706 26.597 22.478 0.00 0.00 -ATOM 2506 O1 H2O 4 166 10.905 19.562 20.323 0.00 0.00 -ATOM 2507 H1 H2O 4 166 11.453 20.333 20.651 0.00 0.00 -ATOM 2508 H2 H2O 4 166 10.094 19.907 19.851 0.00 0.00 -ATOM 2509 O1 H2O 5 167 21.674 25.328 20.529 0.00 0.00 -ATOM 2510 H1 H2O 5 167 22.345 25.389 19.790 0.00 0.00 -ATOM 2511 H2 H2O 5 167 20.853 25.841 20.279 0.00 0.00 -ATOM 2512 O1 H2O 6 168 14.531 18.966 20.804 0.00 0.00 -ATOM 2513 H1 H2O 6 168 14.340 17.985 20.827 0.00 0.00 -ATOM 2514 H2 H2O 6 168 14.440 19.346 21.725 0.00 0.00 -ATOM 2515 O1 H2O 7 169 29.248 23.241 22.718 0.00 0.00 -ATOM 2516 H1 H2O 7 169 29.340 22.246 22.766 0.00 0.00 -ATOM 2517 H2 H2O 7 169 28.377 23.515 23.124 0.00 0.00 -ATOM 2518 O1 H2O 8 170 2.874 23.348 19.568 0.00 0.00 -ATOM 2519 H1 H2O 8 170 1.929 23.415 19.888 0.00 0.00 -ATOM 2520 H2 H2O 8 170 3.021 23.999 18.822 0.00 0.00 -ATOM 2521 O1 H2O 9 171 11.643 15.409 20.874 0.00 0.00 -ATOM 2522 H1 H2O 9 171 10.653 15.297 20.789 0.00 0.00 -ATOM 2523 H2 H2O 9 171 11.900 15.388 21.840 0.00 0.00 -ATOM 2524 O1 H2O 0 172 19.523 0.890 19.800 0.00 0.00 -ATOM 2525 H1 H2O 0 172 18.859 0.167 19.607 0.00 0.00 -ATOM 2526 H2 H2O 0 172 19.454 1.158 20.761 0.00 0.00 -ATOM 2527 O1 H2O 1 173 24.808 25.231 20.523 0.00 0.00 -ATOM 2528 H1 H2O 1 173 25.155 25.417 21.442 0.00 0.00 -ATOM 2529 H2 H2O 1 173 24.568 26.093 20.076 0.00 0.00 -ATOM 2530 O1 H2O 2 174 24.044 24.668 23.418 0.00 0.00 -ATOM 2531 H1 H2O 2 174 23.531 25.476 23.128 0.00 0.00 -ATOM 2532 H2 H2O 2 174 23.413 23.907 23.565 0.00 0.00 -ATOM 2533 O1 H2O 3 175 17.855 8.413 23.716 0.00 0.00 -ATOM 2534 H1 H2O 3 175 18.489 9.178 23.600 0.00 0.00 -ATOM 2535 H2 H2O 3 175 17.772 8.193 24.688 0.00 0.00 -ATOM 2536 O1 H2O 4 176 17.193 3.070 19.940 0.00 0.00 -ATOM 2537 H1 H2O 4 176 16.472 3.009 19.249 0.00 0.00 -ATOM 2538 H2 H2O 4 176 18.029 2.651 19.587 0.00 0.00 -ATOM 2539 O1 H2O 5 177 3.320 12.895 20.179 0.00 0.00 -ATOM 2540 H1 H2O 5 177 2.513 12.427 20.539 0.00 0.00 -ATOM 2541 H2 H2O 5 177 3.159 13.882 20.176 0.00 0.00 -ATOM 2542 O1 H2O 6 178 10.677 4.993 21.130 0.00 0.00 -ATOM 2543 H1 H2O 6 178 11.439 4.364 21.280 0.00 0.00 -ATOM 2544 H2 H2O 6 178 9.930 4.768 21.755 0.00 0.00 -ATOM 2545 O1 H2O 7 179 26.631 26.323 22.268 0.00 0.00 -ATOM 2546 H1 H2O 7 179 26.288 27.088 22.813 0.00 0.00 -ATOM 2547 H2 H2O 7 179 27.497 26.002 22.652 0.00 0.00 -ATOM 2548 O1 H2O 8 180 15.320 26.599 23.437 0.00 0.00 -ATOM 2549 H1 H2O 8 180 14.340 26.717 23.273 0.00 0.00 -ATOM 2550 H2 H2O 8 180 15.540 25.624 23.455 0.00 0.00 -ATOM 2551 O1 H2O 9 181 19.213 1.145 22.647 0.00 0.00 -ATOM 2552 H1 H2O 9 181 18.904 0.220 22.867 0.00 0.00 -ATOM 2553 H2 H2O 9 181 20.172 1.247 22.911 0.00 0.00 -ATOM 2554 O1 H2O 0 182 1.548 1.457 22.546 0.00 0.00 -ATOM 2555 H1 H2O 0 182 2.112 2.172 22.960 0.00 0.00 -ATOM 2556 H2 H2O 0 182 0.776 1.252 23.147 0.00 0.00 -ATOM 2557 O1 H2O 1 183 5.084 5.711 19.645 0.00 0.00 -ATOM 2558 H1 H2O 1 183 4.605 4.850 19.474 0.00 0.00 -ATOM 2559 H2 H2O 1 183 6.026 5.519 19.923 0.00 0.00 -ATOM 2560 O1 H2O 2 184 21.040 27.972 22.512 0.00 0.00 -ATOM 2561 H1 H2O 2 184 20.202 28.097 23.043 0.00 0.00 -ATOM 2562 H2 H2O 2 184 20.837 28.073 21.539 0.00 0.00 -ATOM 2563 O1 H2O 3 185 5.768 3.958 23.240 0.00 0.00 -ATOM 2564 H1 H2O 3 185 5.250 3.114 23.377 0.00 0.00 -ATOM 2565 H2 H2O 3 185 5.141 4.736 23.227 0.00 0.00 -ATOM 2566 O1 H2O 4 186 7.442 13.581 23.485 0.00 0.00 -ATOM 2567 H1 H2O 4 186 6.950 12.725 23.643 0.00 0.00 -ATOM 2568 H2 H2O 4 186 8.332 13.383 23.074 0.00 0.00 -ATOM 2569 O1 H2O 5 187 22.349 0.279 19.702 0.00 0.00 -ATOM 2570 H1 H2O 5 187 21.472 0.755 19.638 0.00 0.00 -ATOM 2571 H2 H2O 5 187 23.091 0.918 19.500 0.00 0.00 -ATOM 2572 O1 H2O 6 188 10.009 28.093 20.667 0.00 0.00 -ATOM 2573 H1 H2O 6 188 9.379 28.296 19.918 0.00 0.00 -ATOM 2574 H2 H2O 6 188 10.525 27.263 20.455 0.00 0.00 -ATOM 2575 O1 H2O 7 189 22.963 14.487 23.499 0.00 0.00 -ATOM 2576 H1 H2O 7 189 23.155 15.468 23.524 0.00 0.00 -ATOM 2577 H2 H2O 7 189 23.799 13.979 23.709 0.00 0.00 -ATOM 2578 O1 H2O 8 190 5.612 26.452 23.689 0.00 0.00 -ATOM 2579 H1 H2O 8 190 5.534 26.376 24.683 0.00 0.00 -ATOM 2580 H2 H2O 8 190 4.906 25.891 23.256 0.00 0.00 -ATOM 2581 O1 H2O 9 191 16.421 10.384 22.395 0.00 0.00 -ATOM 2582 H1 H2O 9 191 16.869 11.216 22.723 0.00 0.00 -ATOM 2583 H2 H2O 9 191 16.849 9.586 22.819 0.00 0.00 -ATOM 2584 O1 H2O 0 192 11.675 0.490 20.284 0.00 0.00 -ATOM 2585 H1 H2O 0 192 11.115 1.270 20.002 0.00 0.00 -ATOM 2586 H2 H2O 0 192 11.084 -0.294 20.472 0.00 0.00 -ATOM 2587 O1 H2O 1 193 25.519 21.613 22.244 0.00 0.00 -ATOM 2588 H1 H2O 1 193 26.380 21.533 21.741 0.00 0.00 -ATOM 2589 H2 H2O 1 193 24.821 22.011 21.650 0.00 0.00 -ATOM 2590 O1 H2O 2 194 14.259 8.569 20.133 0.00 0.00 -ATOM 2591 H1 H2O 2 194 14.206 9.534 19.876 0.00 0.00 -ATOM 2592 H2 H2O 2 194 15.189 8.234 19.982 0.00 0.00 -ATOM 2593 O1 H2O 3 195 6.998 20.491 23.621 0.00 0.00 -ATOM 2594 H1 H2O 3 195 7.175 20.455 24.604 0.00 0.00 -ATOM 2595 H2 H2O 3 195 6.128 20.040 23.422 0.00 0.00 -ATOM 2596 O1 H2O 4 196 21.585 4.209 22.871 0.00 0.00 -ATOM 2597 H1 H2O 4 196 21.756 4.176 21.887 0.00 0.00 -ATOM 2598 H2 H2O 4 196 21.567 3.279 23.238 0.00 0.00 -ATOM 2599 O1 H2O 5 197 26.961 13.341 20.659 0.00 0.00 -ATOM 2600 H1 H2O 5 197 26.890 14.287 20.343 0.00 0.00 -ATOM 2601 H2 H2O 5 197 27.725 12.891 20.197 0.00 0.00 -ATOM 2602 O1 H2O 6 198 19.634 15.956 20.326 0.00 0.00 -ATOM 2603 H1 H2O 6 198 19.472 16.866 19.945 0.00 0.00 -ATOM 2604 H2 H2O 6 198 18.840 15.375 20.150 0.00 0.00 -ATOM 2605 O1 H2O 7 199 26.120 28.451 23.712 0.00 0.00 -ATOM 2606 H1 H2O 7 199 25.976 28.839 24.622 0.00 0.00 -ATOM 2607 H2 H2O 7 199 26.944 28.848 23.307 0.00 0.00 -ATOM 2608 O1 H2O 8 200 7.656 0.670 23.721 0.00 0.00 -ATOM 2609 H1 H2O 8 200 8.231 1.323 24.215 0.00 0.00 -ATOM 2610 H2 H2O 8 200 7.926 -0.262 23.963 0.00 0.00 -ATOM 2611 O1 H2O 9 201 11.279 23.306 19.804 0.00 0.00 -ATOM 2612 H1 H2O 9 201 11.051 23.215 18.834 0.00 0.00 -ATOM 2613 H2 H2O 9 201 11.901 22.570 20.070 0.00 0.00 -ATOM 2614 O1 H2O 0 202 17.146 19.534 19.948 0.00 0.00 -ATOM 2615 H1 H2O 0 202 16.948 20.027 19.101 0.00 0.00 -ATOM 2616 H2 H2O 0 202 16.298 19.158 20.321 0.00 0.00 -ATOM 2617 O1 H2O 1 203 15.293 16.416 19.857 0.00 0.00 -ATOM 2618 H1 H2O 1 203 14.725 15.603 19.734 0.00 0.00 -ATOM 2619 H2 H2O 1 203 15.854 16.557 19.041 0.00 0.00 -ATOM 2620 O1 H2O 2 204 11.701 10.545 20.737 0.00 0.00 -ATOM 2621 H1 H2O 2 204 11.594 9.573 20.525 0.00 0.00 -ATOM 2622 H2 H2O 2 204 12.663 10.801 20.647 0.00 0.00 -ATOM 2623 O1 h2o 1 205 29.107 11.767 19.581 0.00 0.00 -ATOM 2624 H1 h2o 1 205 28.759 10.845 19.748 0.00 0.00 -ATOM 2625 H2 h2o 1 205 29.530 11.805 18.675 0.00 0.00 -ATOM 2626 O1 h2o 2 206 2.110 10.436 19.761 0.00 0.00 -ATOM 2627 H1 h2o 2 206 2.221 9.520 20.146 0.00 0.00 -ATOM 2628 H2 h2o 2 206 1.186 10.767 19.950 0.00 0.00 -ATOM 2629 O1 h2o 3 207 6.347 25.394 19.896 0.00 0.00 -ATOM 2630 H1 h2o 3 207 6.118 26.294 19.524 0.00 0.00 -ATOM 2631 H2 h2o 3 207 6.418 25.453 20.892 0.00 0.00 -ATOM 2632 O1 h2o 4 208 0.828 28.905 24.062 0.00 0.00 -ATOM 2633 H1 h2o 4 208 -0.147 28.697 24.150 0.00 0.00 -ATOM 2634 H2 h2o 4 208 1.240 28.959 24.972 0.00 0.00 -ATOM 2635 O1 h2o 5 209 15.812 5.966 20.599 0.00 0.00 -ATOM 2636 H1 h2o 5 209 16.168 5.665 21.484 0.00 0.00 -ATOM 2637 H2 h2o 5 209 15.088 6.640 20.742 0.00 0.00 -END diff --git a/simulations/NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf b/simulations/NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf deleted file mode 100644 index 94a5cf5..0000000 --- a/simulations/NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf +++ /dev/null @@ -1,2826 +0,0 @@ -PSF - - 2 !NTITLE - REMARKS Combined PSF produced by GOMC - REMARKS Contains Geometry data for molecules in ALL boxes in the system - - 2637 !NATOM - 1 TOP 1 TOP C1 2 0.000000 12.0108 0 - 2 TOP 1 TOP C2 2 0.000000 12.0108 0 - 3 TOP 1 TOP C3 2 0.000000 12.0108 0 - 4 TOP 1 TOP C4 2 0.000000 12.0108 0 - 5 TOP 1 TOP C5 2 0.000000 12.0108 0 - 6 TOP 1 TOP C6 2 0.000000 12.0108 0 - 7 TOP 1 TOP C7 2 0.000000 12.0108 0 - 8 TOP 1 TOP C8 2 0.000000 12.0108 0 - 9 TOP 1 TOP C9 2 0.000000 12.0108 0 - 10 TOP 1 TOP CA 2 0.000000 12.0108 0 - 11 TOP 1 TOP CB 2 0.000000 12.0108 0 - 12 TOP 1 TOP CC 2 0.000000 12.0108 0 - 13 TOP 1 TOP CD 2 0.000000 12.0108 0 - 14 TOP 1 TOP CE 2 0.000000 12.0108 0 - 15 TOP 1 TOP CF 2 0.000000 12.0108 0 - 16 TOP 1 TOP CG 2 0.000000 12.0108 0 - 17 TOP 1 TOP CH 2 0.000000 12.0108 0 - 18 TOP 1 TOP CI 2 0.000000 12.0108 0 - 19 TOP 1 TOP CJ 2 0.000000 12.0108 0 - 20 TOP 1 TOP CK 2 0.000000 12.0108 0 - 21 TOP 1 TOP CL 2 0.000000 12.0108 0 - 22 TOP 1 TOP CM 2 0.000000 12.0108 0 - 23 TOP 1 TOP CN 2 0.000000 12.0108 0 - 24 TOP 1 TOP CO 2 0.000000 12.0108 0 - 25 TOP 1 TOP CP 2 0.000000 12.0108 0 - 26 TOP 1 TOP CQ 2 0.000000 12.0108 0 - 27 TOP 1 TOP CR 2 0.000000 12.0108 0 - 28 TOP 1 TOP CS 2 0.000000 12.0108 0 - 29 TOP 1 TOP CT 2 0.000000 12.0108 0 - 30 TOP 1 TOP CU 2 0.000000 12.0108 0 - 31 TOP 1 TOP CV 2 0.000000 12.0108 0 - 32 TOP 1 TOP CW 2 0.000000 12.0108 0 - 33 TOP 1 TOP CX 2 0.000000 12.0108 0 - 34 TOP 1 TOP CY 2 0.000000 12.0108 0 - 35 TOP 1 TOP CZ 2 0.000000 12.0108 0 - 36 TOP 1 TOP Ca 2 0.000000 12.0108 0 - 37 TOP 1 TOP Cb 2 0.000000 12.0108 0 - 38 TOP 1 TOP Cc 2 0.000000 12.0108 0 - 39 TOP 1 TOP Cd 2 0.000000 12.0108 0 - 40 TOP 1 TOP Ce 2 0.000000 12.0108 0 - 41 TOP 1 TOP Cf 2 0.000000 12.0108 0 - 42 TOP 1 TOP Cg 2 0.000000 12.0108 0 - 43 TOP 1 TOP Ch 2 0.000000 12.0108 0 - 44 TOP 1 TOP Ci 2 0.000000 12.0108 0 - 45 TOP 1 TOP Cj 2 0.000000 12.0108 0 - 46 TOP 1 TOP Ck 2 0.000000 12.0108 0 - 47 TOP 1 TOP Cl 2 0.000000 12.0108 0 - 48 TOP 1 TOP Cm 2 0.000000 12.0108 0 - 49 TOP 1 TOP Cn 2 0.000000 12.0108 0 - 50 TOP 1 TOP Co 2 0.000000 12.0108 0 - 51 TOP 1 TOP Cp 2 0.000000 12.0108 0 - 52 TOP 1 TOP Cq 2 0.000000 12.0108 0 - 53 TOP 1 TOP Cr 2 0.000000 12.0108 0 - 54 TOP 1 TOP Cs 2 0.000000 12.0108 0 - 55 TOP 1 TOP Ct 2 0.000000 12.0108 0 - 56 TOP 1 TOP Cu 2 0.000000 12.0108 0 - 57 TOP 1 TOP Cv 2 0.000000 12.0108 0 - 58 TOP 1 TOP Cw 2 0.000000 12.0108 0 - 59 TOP 1 TOP Cx 2 0.000000 12.0108 0 - 60 TOP 1 TOP Cy 2 0.000000 12.0108 0 - 61 TOP 1 TOP Cz 2 0.000000 12.0108 0 - 62 TOP 1 TOP C10 2 0.000000 12.0108 0 - 63 TOP 1 TOP C11 2 0.000000 12.0108 0 - 64 TOP 1 TOP C12 2 0.000000 12.0108 0 - 65 TOP 1 TOP C13 2 0.000000 12.0108 0 - 66 TOP 1 TOP C14 2 0.000000 12.0108 0 - 67 TOP 1 TOP C15 2 0.000000 12.0108 0 - 68 TOP 1 TOP C16 2 0.000000 12.0108 0 - 69 TOP 1 TOP C17 2 0.000000 12.0108 0 - 70 TOP 1 TOP C18 2 0.000000 12.0108 0 - 71 TOP 1 TOP C19 2 0.000000 12.0108 0 - 72 TOP 1 TOP C1A 2 0.000000 12.0108 0 - 73 TOP 1 TOP C1B 2 0.000000 12.0108 0 - 74 TOP 1 TOP C1C 2 0.000000 12.0108 0 - 75 TOP 1 TOP C1D 2 0.000000 12.0108 0 - 76 TOP 1 TOP C1E 2 0.000000 12.0108 0 - 77 TOP 1 TOP C1F 2 0.000000 12.0108 0 - 78 TOP 1 TOP C1G 2 0.000000 12.0108 0 - 79 TOP 1 TOP C1H 2 0.000000 12.0108 0 - 80 TOP 1 TOP C1I 2 0.000000 12.0108 0 - 81 TOP 1 TOP C1J 2 0.000000 12.0108 0 - 82 TOP 1 TOP C1K 2 0.000000 12.0108 0 - 83 TOP 1 TOP C1L 2 0.000000 12.0108 0 - 84 TOP 1 TOP C1M 2 0.000000 12.0108 0 - 85 TOP 1 TOP C1N 2 0.000000 12.0108 0 - 86 TOP 1 TOP C1O 2 0.000000 12.0108 0 - 87 TOP 1 TOP C1P 2 0.000000 12.0108 0 - 88 TOP 1 TOP C1Q 2 0.000000 12.0108 0 - 89 TOP 1 TOP C1R 2 0.000000 12.0108 0 - 90 TOP 1 TOP C1S 2 0.000000 12.0108 0 - 91 TOP 1 TOP C1T 2 0.000000 12.0108 0 - 92 TOP 1 TOP C1U 2 0.000000 12.0108 0 - 93 TOP 1 TOP C1V 2 0.000000 12.0108 0 - 94 TOP 1 TOP C1W 2 0.000000 12.0108 0 - 95 TOP 1 TOP C1X 2 0.000000 12.0108 0 - 96 TOP 1 TOP C1Y 2 0.000000 12.0108 0 - 97 TOP 1 TOP C1Z 2 0.000000 12.0108 0 - 98 TOP 1 TOP C1a 2 0.000000 12.0108 0 - 99 TOP 1 TOP C1b 2 0.000000 12.0108 0 - 100 TOP 1 TOP C1c 2 0.000000 12.0108 0 - 101 TOP 1 TOP C1d 2 0.000000 12.0108 0 - 102 TOP 1 TOP C1e 2 0.000000 12.0108 0 - 103 TOP 1 TOP C1f 2 0.000000 12.0108 0 - 104 TOP 1 TOP C1g 2 0.000000 12.0108 0 - 105 TOP 1 TOP C1h 2 0.000000 12.0108 0 - 106 TOP 1 TOP C1i 2 0.000000 12.0108 0 - 107 TOP 1 TOP C1j 2 0.000000 12.0108 0 - 108 TOP 1 TOP C1k 2 0.000000 12.0108 0 - 109 TOP 1 TOP C1l 2 0.000000 12.0108 0 - 110 TOP 1 TOP C1m 2 0.000000 12.0108 0 - 111 TOP 1 TOP C1n 2 0.000000 12.0108 0 - 112 TOP 1 TOP C1o 2 0.000000 12.0108 0 - 113 TOP 1 TOP C1p 2 0.000000 12.0108 0 - 114 TOP 1 TOP C1q 2 0.000000 12.0108 0 - 115 TOP 1 TOP C1r 2 0.000000 12.0108 0 - 116 TOP 1 TOP C1s 2 0.000000 12.0108 0 - 117 TOP 1 TOP C1t 2 0.000000 12.0108 0 - 118 TOP 1 TOP C1u 2 0.000000 12.0108 0 - 119 TOP 1 TOP C1v 2 0.000000 12.0108 0 - 120 TOP 1 TOP C1w 2 0.000000 12.0108 0 - 121 TOP 1 TOP C1x 2 0.000000 12.0108 0 - 122 TOP 1 TOP C1y 2 0.000000 12.0108 0 - 123 TOP 1 TOP C1z 2 0.000000 12.0108 0 - 124 TOP 1 TOP C20 2 0.000000 12.0108 0 - 125 TOP 1 TOP C21 2 0.000000 12.0108 0 - 126 TOP 1 TOP C22 2 0.000000 12.0108 0 - 127 TOP 1 TOP C23 2 0.000000 12.0108 0 - 128 TOP 1 TOP C24 2 0.000000 12.0108 0 - 129 TOP 1 TOP C25 2 0.000000 12.0108 0 - 130 TOP 1 TOP C26 2 0.000000 12.0108 0 - 131 TOP 1 TOP C27 2 0.000000 12.0108 0 - 132 TOP 1 TOP C28 2 0.000000 12.0108 0 - 133 TOP 1 TOP C29 2 0.000000 12.0108 0 - 134 TOP 1 TOP C2A 2 0.000000 12.0108 0 - 135 TOP 1 TOP C2B 2 0.000000 12.0108 0 - 136 TOP 1 TOP C2C 2 0.000000 12.0108 0 - 137 TOP 1 TOP C2D 2 0.000000 12.0108 0 - 138 TOP 1 TOP C2E 2 0.000000 12.0108 0 - 139 TOP 1 TOP C2F 2 0.000000 12.0108 0 - 140 TOP 1 TOP C2G 2 0.000000 12.0108 0 - 141 TOP 1 TOP C2H 2 0.000000 12.0108 0 - 142 TOP 1 TOP C2I 2 0.000000 12.0108 0 - 143 TOP 1 TOP C2J 2 0.000000 12.0108 0 - 144 TOP 1 TOP C2K 2 0.000000 12.0108 0 - 145 TOP 1 TOP C2L 2 0.000000 12.0108 0 - 146 TOP 1 TOP C2M 2 0.000000 12.0108 0 - 147 TOP 1 TOP C2N 2 0.000000 12.0108 0 - 148 TOP 1 TOP C2O 2 0.000000 12.0108 0 - 149 TOP 1 TOP C2P 2 0.000000 12.0108 0 - 150 TOP 1 TOP C2Q 2 0.000000 12.0108 0 - 151 TOP 1 TOP C2R 2 0.000000 12.0108 0 - 152 TOP 1 TOP C2S 2 0.000000 12.0108 0 - 153 TOP 1 TOP C2T 2 0.000000 12.0108 0 - 154 TOP 1 TOP C2U 2 0.000000 12.0108 0 - 155 TOP 1 TOP C2V 2 0.000000 12.0108 0 - 156 TOP 1 TOP C2W 2 0.000000 12.0108 0 - 157 TOP 1 TOP C2X 2 0.000000 12.0108 0 - 158 TOP 1 TOP C2Y 2 0.000000 12.0108 0 - 159 TOP 1 TOP C2Z 2 0.000000 12.0108 0 - 160 TOP 1 TOP C2a 2 0.000000 12.0108 0 - 161 TOP 1 TOP C2b 2 0.000000 12.0108 0 - 162 TOP 1 TOP C2c 2 0.000000 12.0108 0 - 163 TOP 1 TOP C2d 2 0.000000 12.0108 0 - 164 TOP 1 TOP C2e 2 0.000000 12.0108 0 - 165 TOP 1 TOP C2f 2 0.000000 12.0108 0 - 166 TOP 1 TOP C2g 2 0.000000 12.0108 0 - 167 TOP 1 TOP C2h 2 0.000000 12.0108 0 - 168 TOP 1 TOP C2i 2 0.000000 12.0108 0 - 169 TOP 1 TOP C2j 2 0.000000 12.0108 0 - 170 TOP 1 TOP C2k 2 0.000000 12.0108 0 - 171 TOP 1 TOP C2l 2 0.000000 12.0108 0 - 172 TOP 1 TOP C2m 2 0.000000 12.0108 0 - 173 TOP 1 TOP C2n 2 0.000000 12.0108 0 - 174 TOP 1 TOP C2o 2 0.000000 12.0108 0 - 175 TOP 1 TOP C2p 2 0.000000 12.0108 0 - 176 TOP 1 TOP C2q 2 0.000000 12.0108 0 - 177 TOP 1 TOP C2r 2 0.000000 12.0108 0 - 178 TOP 1 TOP C2s 2 0.000000 12.0108 0 - 179 TOP 1 TOP C2t 2 0.000000 12.0108 0 - 180 TOP 1 TOP C2u 2 0.000000 12.0108 0 - 181 TOP 1 TOP C2v 2 0.000000 12.0108 0 - 182 TOP 1 TOP C2w 2 0.000000 12.0108 0 - 183 TOP 1 TOP C2x 2 0.000000 12.0108 0 - 184 TOP 1 TOP C2y 2 0.000000 12.0108 0 - 185 TOP 1 TOP C2z 2 0.000000 12.0108 0 - 186 TOP 1 TOP C30 2 0.000000 12.0108 0 - 187 TOP 1 TOP C31 2 0.000000 12.0108 0 - 188 TOP 1 TOP C32 2 0.000000 12.0108 0 - 189 TOP 1 TOP C33 2 0.000000 12.0108 0 - 190 TOP 1 TOP C34 2 0.000000 12.0108 0 - 191 TOP 1 TOP C35 2 0.000000 12.0108 0 - 192 TOP 1 TOP C36 2 0.000000 12.0108 0 - 193 TOP 1 TOP C37 2 0.000000 12.0108 0 - 194 TOP 1 TOP C38 2 0.000000 12.0108 0 - 195 TOP 1 TOP C39 2 0.000000 12.0108 0 - 196 TOP 1 TOP C3A 2 0.000000 12.0108 0 - 197 TOP 1 TOP C3B 2 0.000000 12.0108 0 - 198 TOP 1 TOP C3C 2 0.000000 12.0108 0 - 199 TOP 1 TOP C3D 2 0.000000 12.0108 0 - 200 TOP 1 TOP C3E 2 0.000000 12.0108 0 - 201 TOP 1 TOP C3F 2 0.000000 12.0108 0 - 202 TOP 1 TOP C3G 2 0.000000 12.0108 0 - 203 TOP 1 TOP C3H 2 0.000000 12.0108 0 - 204 TOP 1 TOP C3I 2 0.000000 12.0108 0 - 205 TOP 1 TOP C3J 2 0.000000 12.0108 0 - 206 TOP 1 TOP C3K 2 0.000000 12.0108 0 - 207 TOP 1 TOP C3L 2 0.000000 12.0108 0 - 208 TOP 1 TOP C3M 2 0.000000 12.0108 0 - 209 TOP 1 TOP C3N 2 0.000000 12.0108 0 - 210 TOP 1 TOP C3O 2 0.000000 12.0108 0 - 211 TOP 1 TOP C3P 2 0.000000 12.0108 0 - 212 TOP 1 TOP C3Q 2 0.000000 12.0108 0 - 213 TOP 1 TOP C3R 2 0.000000 12.0108 0 - 214 TOP 1 TOP C3S 2 0.000000 12.0108 0 - 215 TOP 1 TOP C3T 2 0.000000 12.0108 0 - 216 TOP 1 TOP C3U 2 0.000000 12.0108 0 - 217 TOP 1 TOP C3V 2 0.000000 12.0108 0 - 218 TOP 1 TOP C3W 2 0.000000 12.0108 0 - 219 TOP 1 TOP C3X 2 0.000000 12.0108 0 - 220 TOP 1 TOP C3Y 2 0.000000 12.0108 0 - 221 TOP 1 TOP C3Z 2 0.000000 12.0108 0 - 222 TOP 1 TOP C3a 2 0.000000 12.0108 0 - 223 TOP 1 TOP C3b 2 0.000000 12.0108 0 - 224 TOP 1 TOP C3c 2 0.000000 12.0108 0 - 225 TOP 1 TOP C3d 2 0.000000 12.0108 0 - 226 TOP 1 TOP C3e 2 0.000000 12.0108 0 - 227 TOP 1 TOP C3f 2 0.000000 12.0108 0 - 228 TOP 1 TOP C3g 2 0.000000 12.0108 0 - 229 TOP 1 TOP C3h 2 0.000000 12.0108 0 - 230 TOP 1 TOP C3i 2 0.000000 12.0108 0 - 231 TOP 1 TOP C3j 2 0.000000 12.0108 0 - 232 TOP 1 TOP C3k 2 0.000000 12.0108 0 - 233 TOP 1 TOP C3l 2 0.000000 12.0108 0 - 234 TOP 1 TOP C3m 2 0.000000 12.0108 0 - 235 TOP 1 TOP C3n 2 0.000000 12.0108 0 - 236 TOP 1 TOP C3o 2 0.000000 12.0108 0 - 237 TOP 1 TOP C3p 2 0.000000 12.0108 0 - 238 TOP 1 TOP C3q 2 0.000000 12.0108 0 - 239 TOP 1 TOP C3r 2 0.000000 12.0108 0 - 240 TOP 1 TOP C3s 2 0.000000 12.0108 0 - 241 TOP 1 TOP C3t 2 0.000000 12.0108 0 - 242 TOP 1 TOP C3u 2 0.000000 12.0108 0 - 243 TOP 1 TOP C3v 2 0.000000 12.0108 0 - 244 TOP 1 TOP C3w 2 0.000000 12.0108 0 - 245 TOP 1 TOP C3x 2 0.000000 12.0108 0 - 246 TOP 1 TOP C3y 2 0.000000 12.0108 0 - 247 TOP 1 TOP C3z 2 0.000000 12.0108 0 - 248 TOP 1 TOP C40 2 0.000000 12.0108 0 - 249 TOP 1 TOP C41 2 0.000000 12.0108 0 - 250 TOP 1 TOP C42 2 0.000000 12.0108 0 - 251 TOP 1 TOP C43 2 0.000000 12.0108 0 - 252 TOP 1 TOP C44 2 0.000000 12.0108 0 - 253 TOP 1 TOP C45 2 0.000000 12.0108 0 - 254 TOP 1 TOP C46 2 0.000000 12.0108 0 - 255 TOP 1 TOP C47 2 0.000000 12.0108 0 - 256 TOP 1 TOP C48 2 0.000000 12.0108 0 - 257 TOP 1 TOP C49 2 0.000000 12.0108 0 - 258 TOP 1 TOP C4A 2 0.000000 12.0108 0 - 259 TOP 1 TOP C4B 2 0.000000 12.0108 0 - 260 TOP 1 TOP C4C 2 0.000000 12.0108 0 - 261 TOP 1 TOP C4D 2 0.000000 12.0108 0 - 262 TOP 1 TOP C4E 2 0.000000 12.0108 0 - 263 TOP 1 TOP C4F 2 0.000000 12.0108 0 - 264 TOP 1 TOP C4G 2 0.000000 12.0108 0 - 265 TOP 1 TOP C4H 2 0.000000 12.0108 0 - 266 TOP 1 TOP C4I 2 0.000000 12.0108 0 - 267 TOP 1 TOP C4J 2 0.000000 12.0108 0 - 268 TOP 1 TOP C4K 2 0.000000 12.0108 0 - 269 TOP 1 TOP C4L 2 0.000000 12.0108 0 - 270 TOP 1 TOP C4M 2 0.000000 12.0108 0 - 271 TOP 1 TOP C4N 2 0.000000 12.0108 0 - 272 TOP 1 TOP C4O 2 0.000000 12.0108 0 - 273 TOP 1 TOP C4P 2 0.000000 12.0108 0 - 274 TOP 1 TOP C4Q 2 0.000000 12.0108 0 - 275 TOP 1 TOP C4R 2 0.000000 12.0108 0 - 276 TOP 1 TOP C4S 2 0.000000 12.0108 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45 H2O H1 4 0.423800 1.0079 0 - 2151 H2O 45 H2O H2 4 0.423800 1.0079 0 - 2152 H2O 46 H2O O1 6 -0.847600 15.9994 0 - 2153 H2O 46 H2O H1 4 0.423800 1.0079 0 - 2154 H2O 46 H2O H2 4 0.423800 1.0079 0 - 2155 H2O 47 H2O O1 6 -0.847600 15.9994 0 - 2156 H2O 47 H2O H1 4 0.423800 1.0079 0 - 2157 H2O 47 H2O H2 4 0.423800 1.0079 0 - 2158 H2O 48 H2O O1 6 -0.847600 15.9994 0 - 2159 H2O 48 H2O H1 4 0.423800 1.0079 0 - 2160 H2O 48 H2O H2 4 0.423800 1.0079 0 - 2161 H2O 49 H2O O1 6 -0.847600 15.9994 0 - 2162 H2O 49 H2O H1 4 0.423800 1.0079 0 - 2163 H2O 49 H2O H2 4 0.423800 1.0079 0 - 2164 H2O 50 H2O O1 6 -0.847600 15.9994 0 - 2165 H2O 50 H2O H1 4 0.423800 1.0079 0 - 2166 H2O 50 H2O H2 4 0.423800 1.0079 0 - 2167 H2O 51 H2O O1 6 -0.847600 15.9994 0 - 2168 H2O 51 H2O H1 4 0.423800 1.0079 0 - 2169 H2O 51 H2O H2 4 0.423800 1.0079 0 - 2170 H2O 52 H2O O1 6 -0.847600 15.9994 0 - 2171 H2O 52 H2O H1 4 0.423800 1.0079 0 - 2172 H2O 52 H2O H2 4 0.423800 1.0079 0 - 2173 H2O 53 H2O O1 6 -0.847600 15.9994 0 - 2174 H2O 53 H2O H1 4 0.423800 1.0079 0 - 2175 H2O 53 H2O H2 4 0.423800 1.0079 0 - 2176 H2O 54 H2O O1 6 -0.847600 15.9994 0 - 2177 H2O 54 H2O H1 4 0.423800 1.0079 0 - 2178 H2O 54 H2O H2 4 0.423800 1.0079 0 - 2179 H2O 55 H2O O1 6 -0.847600 15.9994 0 - 2180 H2O 55 H2O H1 4 0.423800 1.0079 0 - 2181 H2O 55 H2O H2 4 0.423800 1.0079 0 - 2182 H2O 56 H2O O1 6 -0.847600 15.9994 0 - 2183 H2O 56 H2O H1 4 0.423800 1.0079 0 - 2184 H2O 56 H2O H2 4 0.423800 1.0079 0 - 2185 H2O 57 H2O O1 6 -0.847600 15.9994 0 - 2186 H2O 57 H2O H1 4 0.423800 1.0079 0 - 2187 H2O 57 H2O H2 4 0.423800 1.0079 0 - 2188 H2O 58 H2O O1 6 -0.847600 15.9994 0 - 2189 H2O 58 H2O H1 4 0.423800 1.0079 0 - 2190 H2O 58 H2O H2 4 0.423800 1.0079 0 - 2191 H2O 59 H2O O1 6 -0.847600 15.9994 0 - 2192 H2O 59 H2O H1 4 0.423800 1.0079 0 - 2193 H2O 59 H2O H2 4 0.423800 1.0079 0 - 2194 H2O 60 H2O O1 6 -0.847600 15.9994 0 - 2195 H2O 60 H2O H1 4 0.423800 1.0079 0 - 2196 H2O 60 H2O H2 4 0.423800 1.0079 0 - 2197 H2O 61 H2O O1 6 -0.847600 15.9994 0 - 2198 H2O 61 H2O H1 4 0.423800 1.0079 0 - 2199 H2O 61 H2O H2 4 0.423800 1.0079 0 - 2200 H2O 62 H2O O1 6 -0.847600 15.9994 0 - 2201 H2O 62 H2O H1 4 0.423800 1.0079 0 - 2202 H2O 62 H2O H2 4 0.423800 1.0079 0 - 2203 H2O 63 H2O O1 6 -0.847600 15.9994 0 - 2204 H2O 63 H2O H1 4 0.423800 1.0079 0 - 2205 H2O 63 H2O H2 4 0.423800 1.0079 0 - 2206 H2O 64 H2O O1 6 -0.847600 15.9994 0 - 2207 H2O 64 H2O H1 4 0.423800 1.0079 0 - 2208 H2O 64 H2O H2 4 0.423800 1.0079 0 - 2209 H2O 65 H2O O1 6 -0.847600 15.9994 0 - 2210 H2O 65 H2O H1 4 0.423800 1.0079 0 - 2211 H2O 65 H2O H2 4 0.423800 1.0079 0 - 2212 H2O 66 H2O O1 6 -0.847600 15.9994 0 - 2213 H2O 66 H2O H1 4 0.423800 1.0079 0 - 2214 H2O 66 H2O H2 4 0.423800 1.0079 0 - 2215 H2O 67 H2O O1 6 -0.847600 15.9994 0 - 2216 H2O 67 H2O H1 4 0.423800 1.0079 0 - 2217 H2O 67 H2O H2 4 0.423800 1.0079 0 - 2218 H2O 68 H2O O1 6 -0.847600 15.9994 0 - 2219 H2O 68 H2O H1 4 0.423800 1.0079 0 - 2220 H2O 68 H2O H2 4 0.423800 1.0079 0 - 2221 H2O 69 H2O O1 6 -0.847600 15.9994 0 - 2222 H2O 69 H2O H1 4 0.423800 1.0079 0 - 2223 H2O 69 H2O H2 4 0.423800 1.0079 0 - 2224 H2O 70 H2O O1 6 -0.847600 15.9994 0 - 2225 H2O 70 H2O H1 4 0.423800 1.0079 0 - 2226 H2O 70 H2O H2 4 0.423800 1.0079 0 - 2227 H2O 71 H2O O1 6 -0.847600 15.9994 0 - 2228 H2O 71 H2O H1 4 0.423800 1.0079 0 - 2229 H2O 71 H2O H2 4 0.423800 1.0079 0 - 2230 H2O 72 H2O O1 6 -0.847600 15.9994 0 - 2231 H2O 72 H2O H1 4 0.423800 1.0079 0 - 2232 H2O 72 H2O H2 4 0.423800 1.0079 0 - 2233 H2O 73 H2O O1 6 -0.847600 15.9994 0 - 2234 H2O 73 H2O H1 4 0.423800 1.0079 0 - 2235 H2O 73 H2O H2 4 0.423800 1.0079 0 - 2236 H2O 74 H2O O1 6 -0.847600 15.9994 0 - 2237 H2O 74 H2O H1 4 0.423800 1.0079 0 - 2238 H2O 74 H2O H2 4 0.423800 1.0079 0 - 2239 H2O 75 H2O O1 6 -0.847600 15.9994 0 - 2240 H2O 75 H2O H1 4 0.423800 1.0079 0 - 2241 H2O 75 H2O H2 4 0.423800 1.0079 0 - 2242 H2O 76 H2O O1 6 -0.847600 15.9994 0 - 2243 H2O 76 H2O H1 4 0.423800 1.0079 0 - 2244 H2O 76 H2O H2 4 0.423800 1.0079 0 - 2245 H2O 77 H2O O1 6 -0.847600 15.9994 0 - 2246 H2O 77 H2O H1 4 0.423800 1.0079 0 - 2247 H2O 77 H2O H2 4 0.423800 1.0079 0 - 2248 H2O 78 H2O O1 6 -0.847600 15.9994 0 - 2249 H2O 78 H2O H1 4 0.423800 1.0079 0 - 2250 H2O 78 H2O H2 4 0.423800 1.0079 0 - 2251 H2O 79 H2O O1 6 -0.847600 15.9994 0 - 2252 H2O 79 H2O H1 4 0.423800 1.0079 0 - 2253 H2O 79 H2O H2 4 0.423800 1.0079 0 - 2254 H2O 80 H2O O1 6 -0.847600 15.9994 0 - 2255 H2O 80 H2O H1 4 0.423800 1.0079 0 - 2256 H2O 80 H2O H2 4 0.423800 1.0079 0 - 2257 H2O 81 H2O O1 6 -0.847600 15.9994 0 - 2258 H2O 81 H2O H1 4 0.423800 1.0079 0 - 2259 H2O 81 H2O H2 4 0.423800 1.0079 0 - 2260 H2O 82 H2O O1 6 -0.847600 15.9994 0 - 2261 H2O 82 H2O H1 4 0.423800 1.0079 0 - 2262 H2O 82 H2O H2 4 0.423800 1.0079 0 - 2263 H2O 83 H2O O1 6 -0.847600 15.9994 0 - 2264 H2O 83 H2O H1 4 0.423800 1.0079 0 - 2265 H2O 83 H2O H2 4 0.423800 1.0079 0 - 2266 H2O 84 H2O O1 6 -0.847600 15.9994 0 - 2267 H2O 84 H2O H1 4 0.423800 1.0079 0 - 2268 H2O 84 H2O H2 4 0.423800 1.0079 0 - 2269 H2O 85 H2O O1 6 -0.847600 15.9994 0 - 2270 H2O 85 H2O H1 4 0.423800 1.0079 0 - 2271 H2O 85 H2O H2 4 0.423800 1.0079 0 - 2272 H2O 86 H2O O1 6 -0.847600 15.9994 0 - 2273 H2O 86 H2O H1 4 0.423800 1.0079 0 - 2274 H2O 86 H2O H2 4 0.423800 1.0079 0 - 2275 H2O 87 H2O O1 6 -0.847600 15.9994 0 - 2276 H2O 87 H2O H1 4 0.423800 1.0079 0 - 2277 H2O 87 H2O H2 4 0.423800 1.0079 0 - 2278 H2O 88 H2O O1 6 -0.847600 15.9994 0 - 2279 H2O 88 H2O H1 4 0.423800 1.0079 0 - 2280 H2O 88 H2O H2 4 0.423800 1.0079 0 - 2281 H2O 89 H2O O1 6 -0.847600 15.9994 0 - 2282 H2O 89 H2O H1 4 0.423800 1.0079 0 - 2283 H2O 89 H2O H2 4 0.423800 1.0079 0 - 2284 H2O 90 H2O O1 6 -0.847600 15.9994 0 - 2285 H2O 90 H2O H1 4 0.423800 1.0079 0 - 2286 H2O 90 H2O H2 4 0.423800 1.0079 0 - 2287 H2O 91 H2O O1 6 -0.847600 15.9994 0 - 2288 H2O 91 H2O H1 4 0.423800 1.0079 0 - 2289 H2O 91 H2O H2 4 0.423800 1.0079 0 - 2290 H2O 92 H2O O1 6 -0.847600 15.9994 0 - 2291 H2O 92 H2O H1 4 0.423800 1.0079 0 - 2292 H2O 92 H2O H2 4 0.423800 1.0079 0 - 2293 H2O 93 H2O O1 6 -0.847600 15.9994 0 - 2294 H2O 93 H2O H1 4 0.423800 1.0079 0 - 2295 H2O 93 H2O H2 4 0.423800 1.0079 0 - 2296 H2O 94 H2O O1 6 -0.847600 15.9994 0 - 2297 H2O 94 H2O H1 4 0.423800 1.0079 0 - 2298 H2O 94 H2O H2 4 0.423800 1.0079 0 - 2299 H2O 95 H2O O1 6 -0.847600 15.9994 0 - 2300 H2O 95 H2O H1 4 0.423800 1.0079 0 - 2301 H2O 95 H2O H2 4 0.423800 1.0079 0 - 2302 H2O 96 H2O O1 6 -0.847600 15.9994 0 - 2303 H2O 96 H2O H1 4 0.423800 1.0079 0 - 2304 H2O 96 H2O H2 4 0.423800 1.0079 0 - 2305 H2O 97 H2O O1 6 -0.847600 15.9994 0 - 2306 H2O 97 H2O H1 4 0.423800 1.0079 0 - 2307 H2O 97 H2O H2 4 0.423800 1.0079 0 - 2308 H2O 98 H2O O1 6 -0.847600 15.9994 0 - 2309 H2O 98 H2O H1 4 0.423800 1.0079 0 - 2310 H2O 98 H2O H2 4 0.423800 1.0079 0 - 2311 H2O 99 H2O O1 6 -0.847600 15.9994 0 - 2312 H2O 99 H2O H1 4 0.423800 1.0079 0 - 2313 H2O 99 H2O H2 4 0.423800 1.0079 0 - 2314 H2O 100 H2O O1 6 -0.847600 15.9994 0 - 2315 H2O 100 H2O H1 4 0.423800 1.0079 0 - 2316 H2O 100 H2O H2 4 0.423800 1.0079 0 - 2317 H2O 101 H2O O1 6 -0.847600 15.9994 0 - 2318 H2O 101 H2O H1 4 0.423800 1.0079 0 - 2319 H2O 101 H2O H2 4 0.423800 1.0079 0 - 2320 H2O 102 H2O O1 6 -0.847600 15.9994 0 - 2321 H2O 102 H2O H1 4 0.423800 1.0079 0 - 2322 H2O 102 H2O H2 4 0.423800 1.0079 0 - 2323 H2O 103 H2O O1 6 -0.847600 15.9994 0 - 2324 H2O 103 H2O H1 4 0.423800 1.0079 0 - 2325 H2O 103 H2O H2 4 0.423800 1.0079 0 - 2326 H2O 104 H2O O1 6 -0.847600 15.9994 0 - 2327 H2O 104 H2O H1 4 0.423800 1.0079 0 - 2328 H2O 104 H2O H2 4 0.423800 1.0079 0 - 2329 H2O 105 H2O O1 6 -0.847600 15.9994 0 - 2330 H2O 105 H2O H1 4 0.423800 1.0079 0 - 2331 H2O 105 H2O H2 4 0.423800 1.0079 0 - 2332 H2O 106 H2O O1 6 -0.847600 15.9994 0 - 2333 H2O 106 H2O H1 4 0.423800 1.0079 0 - 2334 H2O 106 H2O H2 4 0.423800 1.0079 0 - 2335 H2O 107 H2O O1 6 -0.847600 15.9994 0 - 2336 H2O 107 H2O H1 4 0.423800 1.0079 0 - 2337 H2O 107 H2O H2 4 0.423800 1.0079 0 - 2338 H2O 108 H2O O1 6 -0.847600 15.9994 0 - 2339 H2O 108 H2O H1 4 0.423800 1.0079 0 - 2340 H2O 108 H2O H2 4 0.423800 1.0079 0 - 2341 H2O 109 H2O O1 6 -0.847600 15.9994 0 - 2342 H2O 109 H2O H1 4 0.423800 1.0079 0 - 2343 H2O 109 H2O H2 4 0.423800 1.0079 0 - 2344 H2O 110 H2O O1 6 -0.847600 15.9994 0 - 2345 H2O 110 H2O H1 4 0.423800 1.0079 0 - 2346 H2O 110 H2O H2 4 0.423800 1.0079 0 - 2347 H2O 111 H2O O1 6 -0.847600 15.9994 0 - 2348 H2O 111 H2O H1 4 0.423800 1.0079 0 - 2349 H2O 111 H2O H2 4 0.423800 1.0079 0 - 2350 H2O 112 H2O O1 6 -0.847600 15.9994 0 - 2351 H2O 112 H2O H1 4 0.423800 1.0079 0 - 2352 H2O 112 H2O H2 4 0.423800 1.0079 0 - 2353 H2O 113 H2O O1 6 -0.847600 15.9994 0 - 2354 H2O 113 H2O H1 4 0.423800 1.0079 0 - 2355 H2O 113 H2O H2 4 0.423800 1.0079 0 - 2356 H2O 114 H2O O1 6 -0.847600 15.9994 0 - 2357 H2O 114 H2O H1 4 0.423800 1.0079 0 - 2358 H2O 114 H2O H2 4 0.423800 1.0079 0 - 2359 H2O 115 H2O O1 6 -0.847600 15.9994 0 - 2360 H2O 115 H2O H1 4 0.423800 1.0079 0 - 2361 H2O 115 H2O H2 4 0.423800 1.0079 0 - 2362 H2O 116 H2O O1 6 -0.847600 15.9994 0 - 2363 H2O 116 H2O H1 4 0.423800 1.0079 0 - 2364 H2O 116 H2O H2 4 0.423800 1.0079 0 - 2365 H2O 117 H2O O1 6 -0.847600 15.9994 0 - 2366 H2O 117 H2O H1 4 0.423800 1.0079 0 - 2367 H2O 117 H2O H2 4 0.423800 1.0079 0 - 2368 H2O 118 H2O O1 6 -0.847600 15.9994 0 - 2369 H2O 118 H2O H1 4 0.423800 1.0079 0 - 2370 H2O 118 H2O H2 4 0.423800 1.0079 0 - 2371 H2O 119 H2O O1 6 -0.847600 15.9994 0 - 2372 H2O 119 H2O H1 4 0.423800 1.0079 0 - 2373 H2O 119 H2O H2 4 0.423800 1.0079 0 - 2374 H2O 120 H2O O1 6 -0.847600 15.9994 0 - 2375 H2O 120 H2O H1 4 0.423800 1.0079 0 - 2376 H2O 120 H2O H2 4 0.423800 1.0079 0 - 2377 H2O 121 H2O O1 6 -0.847600 15.9994 0 - 2378 H2O 121 H2O H1 4 0.423800 1.0079 0 - 2379 H2O 121 H2O H2 4 0.423800 1.0079 0 - 2380 H2O 122 H2O O1 6 -0.847600 15.9994 0 - 2381 H2O 122 H2O H1 4 0.423800 1.0079 0 - 2382 H2O 122 H2O H2 4 0.423800 1.0079 0 - 2383 H2O 123 H2O O1 6 -0.847600 15.9994 0 - 2384 H2O 123 H2O H1 4 0.423800 1.0079 0 - 2385 H2O 123 H2O H2 4 0.423800 1.0079 0 - 2386 H2O 124 H2O O1 6 -0.847600 15.9994 0 - 2387 H2O 124 H2O H1 4 0.423800 1.0079 0 - 2388 H2O 124 H2O H2 4 0.423800 1.0079 0 - 2389 H2O 125 H2O O1 6 -0.847600 15.9994 0 - 2390 H2O 125 H2O H1 4 0.423800 1.0079 0 - 2391 H2O 125 H2O H2 4 0.423800 1.0079 0 - 2392 H2O 126 H2O O1 6 -0.847600 15.9994 0 - 2393 H2O 126 H2O H1 4 0.423800 1.0079 0 - 2394 H2O 126 H2O H2 4 0.423800 1.0079 0 - 2395 H2O 127 H2O O1 6 -0.847600 15.9994 0 - 2396 H2O 127 H2O H1 4 0.423800 1.0079 0 - 2397 H2O 127 H2O H2 4 0.423800 1.0079 0 - 2398 H2O 128 H2O O1 6 -0.847600 15.9994 0 - 2399 H2O 128 H2O H1 4 0.423800 1.0079 0 - 2400 H2O 128 H2O H2 4 0.423800 1.0079 0 - 2401 H2O 129 H2O O1 6 -0.847600 15.9994 0 - 2402 H2O 129 H2O H1 4 0.423800 1.0079 0 - 2403 H2O 129 H2O H2 4 0.423800 1.0079 0 - 2404 H2O 130 H2O O1 6 -0.847600 15.9994 0 - 2405 H2O 130 H2O H1 4 0.423800 1.0079 0 - 2406 H2O 130 H2O H2 4 0.423800 1.0079 0 - 2407 H2O 131 H2O O1 6 -0.847600 15.9994 0 - 2408 H2O 131 H2O H1 4 0.423800 1.0079 0 - 2409 H2O 131 H2O H2 4 0.423800 1.0079 0 - 2410 H2O 132 H2O O1 6 -0.847600 15.9994 0 - 2411 H2O 132 H2O H1 4 0.423800 1.0079 0 - 2412 H2O 132 H2O H2 4 0.423800 1.0079 0 - 2413 H2O 133 H2O O1 6 -0.847600 15.9994 0 - 2414 H2O 133 H2O H1 4 0.423800 1.0079 0 - 2415 H2O 133 H2O H2 4 0.423800 1.0079 0 - 2416 H2O 134 H2O O1 6 -0.847600 15.9994 0 - 2417 H2O 134 H2O H1 4 0.423800 1.0079 0 - 2418 H2O 134 H2O H2 4 0.423800 1.0079 0 - 2419 H2O 135 H2O O1 6 -0.847600 15.9994 0 - 2420 H2O 135 H2O H1 4 0.423800 1.0079 0 - 2421 H2O 135 H2O H2 4 0.423800 1.0079 0 - 2422 H2O 136 H2O O1 6 -0.847600 15.9994 0 - 2423 H2O 136 H2O H1 4 0.423800 1.0079 0 - 2424 H2O 136 H2O H2 4 0.423800 1.0079 0 - 2425 H2O 137 H2O O1 6 -0.847600 15.9994 0 - 2426 H2O 137 H2O H1 4 0.423800 1.0079 0 - 2427 H2O 137 H2O H2 4 0.423800 1.0079 0 - 2428 H2O 138 H2O O1 6 -0.847600 15.9994 0 - 2429 H2O 138 H2O H1 4 0.423800 1.0079 0 - 2430 H2O 138 H2O H2 4 0.423800 1.0079 0 - 2431 H2O 139 H2O O1 6 -0.847600 15.9994 0 - 2432 H2O 139 H2O H1 4 0.423800 1.0079 0 - 2433 H2O 139 H2O H2 4 0.423800 1.0079 0 - 2434 H2O 140 H2O O1 6 -0.847600 15.9994 0 - 2435 H2O 140 H2O H1 4 0.423800 1.0079 0 - 2436 H2O 140 H2O H2 4 0.423800 1.0079 0 - 2437 H2O 141 H2O O1 6 -0.847600 15.9994 0 - 2438 H2O 141 H2O H1 4 0.423800 1.0079 0 - 2439 H2O 141 H2O H2 4 0.423800 1.0079 0 - 2440 H2O 142 H2O O1 6 -0.847600 15.9994 0 - 2441 H2O 142 H2O H1 4 0.423800 1.0079 0 - 2442 H2O 142 H2O H2 4 0.423800 1.0079 0 - 2443 H2O 143 H2O O1 6 -0.847600 15.9994 0 - 2444 H2O 143 H2O H1 4 0.423800 1.0079 0 - 2445 H2O 143 H2O H2 4 0.423800 1.0079 0 - 2446 H2O 144 H2O O1 6 -0.847600 15.9994 0 - 2447 H2O 144 H2O H1 4 0.423800 1.0079 0 - 2448 H2O 144 H2O H2 4 0.423800 1.0079 0 - 2449 H2O 145 H2O O1 6 -0.847600 15.9994 0 - 2450 H2O 145 H2O H1 4 0.423800 1.0079 0 - 2451 H2O 145 H2O H2 4 0.423800 1.0079 0 - 2452 H2O 146 H2O O1 6 -0.847600 15.9994 0 - 2453 H2O 146 H2O H1 4 0.423800 1.0079 0 - 2454 H2O 146 H2O H2 4 0.423800 1.0079 0 - 2455 H2O 147 H2O O1 6 -0.847600 15.9994 0 - 2456 H2O 147 H2O H1 4 0.423800 1.0079 0 - 2457 H2O 147 H2O H2 4 0.423800 1.0079 0 - 2458 H2O 148 H2O O1 6 -0.847600 15.9994 0 - 2459 H2O 148 H2O H1 4 0.423800 1.0079 0 - 2460 H2O 148 H2O H2 4 0.423800 1.0079 0 - 2461 H2O 149 H2O O1 6 -0.847600 15.9994 0 - 2462 H2O 149 H2O H1 4 0.423800 1.0079 0 - 2463 H2O 149 H2O H2 4 0.423800 1.0079 0 - 2464 H2O 150 H2O O1 6 -0.847600 15.9994 0 - 2465 H2O 150 H2O H1 4 0.423800 1.0079 0 - 2466 H2O 150 H2O H2 4 0.423800 1.0079 0 - 2467 H2O 151 H2O O1 6 -0.847600 15.9994 0 - 2468 H2O 151 H2O H1 4 0.423800 1.0079 0 - 2469 H2O 151 H2O H2 4 0.423800 1.0079 0 - 2470 H2O 152 H2O O1 6 -0.847600 15.9994 0 - 2471 H2O 152 H2O H1 4 0.423800 1.0079 0 - 2472 H2O 152 H2O H2 4 0.423800 1.0079 0 - 2473 H2O 153 H2O O1 6 -0.847600 15.9994 0 - 2474 H2O 153 H2O H1 4 0.423800 1.0079 0 - 2475 H2O 153 H2O H2 4 0.423800 1.0079 0 - 2476 H2O 154 H2O O1 6 -0.847600 15.9994 0 - 2477 H2O 154 H2O H1 4 0.423800 1.0079 0 - 2478 H2O 154 H2O H2 4 0.423800 1.0079 0 - 2479 H2O 155 H2O O1 6 -0.847600 15.9994 0 - 2480 H2O 155 H2O H1 4 0.423800 1.0079 0 - 2481 H2O 155 H2O H2 4 0.423800 1.0079 0 - 2482 H2O 156 H2O O1 6 -0.847600 15.9994 0 - 2483 H2O 156 H2O H1 4 0.423800 1.0079 0 - 2484 H2O 156 H2O H2 4 0.423800 1.0079 0 - 2485 H2O 157 H2O O1 6 -0.847600 15.9994 0 - 2486 H2O 157 H2O H1 4 0.423800 1.0079 0 - 2487 H2O 157 H2O H2 4 0.423800 1.0079 0 - 2488 H2O 158 H2O O1 6 -0.847600 15.9994 0 - 2489 H2O 158 H2O H1 4 0.423800 1.0079 0 - 2490 H2O 158 H2O H2 4 0.423800 1.0079 0 - 2491 H2O 159 H2O O1 6 -0.847600 15.9994 0 - 2492 H2O 159 H2O H1 4 0.423800 1.0079 0 - 2493 H2O 159 H2O H2 4 0.423800 1.0079 0 - 2494 H2O 160 H2O O1 6 -0.847600 15.9994 0 - 2495 H2O 160 H2O H1 4 0.423800 1.0079 0 - 2496 H2O 160 H2O H2 4 0.423800 1.0079 0 - 2497 H2O 161 H2O O1 6 -0.847600 15.9994 0 - 2498 H2O 161 H2O H1 4 0.423800 1.0079 0 - 2499 H2O 161 H2O H2 4 0.423800 1.0079 0 - 2500 H2O 162 H2O O1 6 -0.847600 15.9994 0 - 2501 H2O 162 H2O H1 4 0.423800 1.0079 0 - 2502 H2O 162 H2O H2 4 0.423800 1.0079 0 - 2503 H2O 163 H2O O1 6 -0.847600 15.9994 0 - 2504 H2O 163 H2O H1 4 0.423800 1.0079 0 - 2505 H2O 163 H2O H2 4 0.423800 1.0079 0 - 2506 H2O 164 H2O O1 6 -0.847600 15.9994 0 - 2507 H2O 164 H2O H1 4 0.423800 1.0079 0 - 2508 H2O 164 H2O H2 4 0.423800 1.0079 0 - 2509 H2O 165 H2O O1 6 -0.847600 15.9994 0 - 2510 H2O 165 H2O H1 4 0.423800 1.0079 0 - 2511 H2O 165 H2O H2 4 0.423800 1.0079 0 - 2512 H2O 166 H2O O1 6 -0.847600 15.9994 0 - 2513 H2O 166 H2O H1 4 0.423800 1.0079 0 - 2514 H2O 166 H2O H2 4 0.423800 1.0079 0 - 2515 H2O 167 H2O O1 6 -0.847600 15.9994 0 - 2516 H2O 167 H2O H1 4 0.423800 1.0079 0 - 2517 H2O 167 H2O H2 4 0.423800 1.0079 0 - 2518 H2O 168 H2O O1 6 -0.847600 15.9994 0 - 2519 H2O 168 H2O H1 4 0.423800 1.0079 0 - 2520 H2O 168 H2O H2 4 0.423800 1.0079 0 - 2521 H2O 169 H2O O1 6 -0.847600 15.9994 0 - 2522 H2O 169 H2O H1 4 0.423800 1.0079 0 - 2523 H2O 169 H2O H2 4 0.423800 1.0079 0 - 2524 H2O 170 H2O O1 6 -0.847600 15.9994 0 - 2525 H2O 170 H2O H1 4 0.423800 1.0079 0 - 2526 H2O 170 H2O H2 4 0.423800 1.0079 0 - 2527 H2O 171 H2O O1 6 -0.847600 15.9994 0 - 2528 H2O 171 H2O H1 4 0.423800 1.0079 0 - 2529 H2O 171 H2O H2 4 0.423800 1.0079 0 - 2530 H2O 172 H2O O1 6 -0.847600 15.9994 0 - 2531 H2O 172 H2O H1 4 0.423800 1.0079 0 - 2532 H2O 172 H2O H2 4 0.423800 1.0079 0 - 2533 H2O 173 H2O O1 6 -0.847600 15.9994 0 - 2534 H2O 173 H2O H1 4 0.423800 1.0079 0 - 2535 H2O 173 H2O H2 4 0.423800 1.0079 0 - 2536 H2O 174 H2O O1 6 -0.847600 15.9994 0 - 2537 H2O 174 H2O H1 4 0.423800 1.0079 0 - 2538 H2O 174 H2O H2 4 0.423800 1.0079 0 - 2539 H2O 175 H2O O1 6 -0.847600 15.9994 0 - 2540 H2O 175 H2O H1 4 0.423800 1.0079 0 - 2541 H2O 175 H2O H2 4 0.423800 1.0079 0 - 2542 H2O 176 H2O O1 6 -0.847600 15.9994 0 - 2543 H2O 176 H2O H1 4 0.423800 1.0079 0 - 2544 H2O 176 H2O H2 4 0.423800 1.0079 0 - 2545 H2O 177 H2O O1 6 -0.847600 15.9994 0 - 2546 H2O 177 H2O H1 4 0.423800 1.0079 0 - 2547 H2O 177 H2O H2 4 0.423800 1.0079 0 - 2548 H2O 178 H2O O1 6 -0.847600 15.9994 0 - 2549 H2O 178 H2O H1 4 0.423800 1.0079 0 - 2550 H2O 178 H2O H2 4 0.423800 1.0079 0 - 2551 H2O 179 H2O O1 6 -0.847600 15.9994 0 - 2552 H2O 179 H2O H1 4 0.423800 1.0079 0 - 2553 H2O 179 H2O H2 4 0.423800 1.0079 0 - 2554 H2O 180 H2O O1 6 -0.847600 15.9994 0 - 2555 H2O 180 H2O H1 4 0.423800 1.0079 0 - 2556 H2O 180 H2O H2 4 0.423800 1.0079 0 - 2557 H2O 181 H2O O1 6 -0.847600 15.9994 0 - 2558 H2O 181 H2O H1 4 0.423800 1.0079 0 - 2559 H2O 181 H2O H2 4 0.423800 1.0079 0 - 2560 H2O 182 H2O O1 6 -0.847600 15.9994 0 - 2561 H2O 182 H2O H1 4 0.423800 1.0079 0 - 2562 H2O 182 H2O H2 4 0.423800 1.0079 0 - 2563 H2O 183 H2O O1 6 -0.847600 15.9994 0 - 2564 H2O 183 H2O H1 4 0.423800 1.0079 0 - 2565 H2O 183 H2O H2 4 0.423800 1.0079 0 - 2566 H2O 184 H2O O1 6 -0.847600 15.9994 0 - 2567 H2O 184 H2O H1 4 0.423800 1.0079 0 - 2568 H2O 184 H2O H2 4 0.423800 1.0079 0 - 2569 H2O 185 H2O O1 6 -0.847600 15.9994 0 - 2570 H2O 185 H2O H1 4 0.423800 1.0079 0 - 2571 H2O 185 H2O H2 4 0.423800 1.0079 0 - 2572 H2O 186 H2O O1 6 -0.847600 15.9994 0 - 2573 H2O 186 H2O H1 4 0.423800 1.0079 0 - 2574 H2O 186 H2O H2 4 0.423800 1.0079 0 - 2575 H2O 187 H2O O1 6 -0.847600 15.9994 0 - 2576 H2O 187 H2O H1 4 0.423800 1.0079 0 - 2577 H2O 187 H2O H2 4 0.423800 1.0079 0 - 2578 H2O 188 H2O O1 6 -0.847600 15.9994 0 - 2579 H2O 188 H2O H1 4 0.423800 1.0079 0 - 2580 H2O 188 H2O H2 4 0.423800 1.0079 0 - 2581 H2O 189 H2O O1 6 -0.847600 15.9994 0 - 2582 H2O 189 H2O H1 4 0.423800 1.0079 0 - 2583 H2O 189 H2O H2 4 0.423800 1.0079 0 - 2584 H2O 190 H2O O1 6 -0.847600 15.9994 0 - 2585 H2O 190 H2O H1 4 0.423800 1.0079 0 - 2586 H2O 190 H2O H2 4 0.423800 1.0079 0 - 2587 H2O 191 H2O O1 6 -0.847600 15.9994 0 - 2588 H2O 191 H2O H1 4 0.423800 1.0079 0 - 2589 H2O 191 H2O H2 4 0.423800 1.0079 0 - 2590 H2O 192 H2O O1 6 -0.847600 15.9994 0 - 2591 H2O 192 H2O H1 4 0.423800 1.0079 0 - 2592 H2O 192 H2O H2 4 0.423800 1.0079 0 - 2593 H2O 193 H2O O1 6 -0.847600 15.9994 0 - 2594 H2O 193 H2O H1 4 0.423800 1.0079 0 - 2595 H2O 193 H2O H2 4 0.423800 1.0079 0 - 2596 H2O 194 H2O O1 6 -0.847600 15.9994 0 - 2597 H2O 194 H2O H1 4 0.423800 1.0079 0 - 2598 H2O 194 H2O H2 4 0.423800 1.0079 0 - 2599 H2O 195 H2O O1 6 -0.847600 15.9994 0 - 2600 H2O 195 H2O H1 4 0.423800 1.0079 0 - 2601 H2O 195 H2O H2 4 0.423800 1.0079 0 - 2602 H2O 196 H2O O1 6 -0.847600 15.9994 0 - 2603 H2O 196 H2O H1 4 0.423800 1.0079 0 - 2604 H2O 196 H2O H2 4 0.423800 1.0079 0 - 2605 H2O 197 H2O O1 6 -0.847600 15.9994 0 - 2606 H2O 197 H2O H1 4 0.423800 1.0079 0 - 2607 H2O 197 H2O H2 4 0.423800 1.0079 0 - 2608 H2O 198 H2O O1 6 -0.847600 15.9994 0 - 2609 H2O 198 H2O H1 4 0.423800 1.0079 0 - 2610 H2O 198 H2O H2 4 0.423800 1.0079 0 - 2611 H2O 199 H2O O1 6 -0.847600 15.9994 0 - 2612 H2O 199 H2O H1 4 0.423800 1.0079 0 - 2613 H2O 199 H2O H2 4 0.423800 1.0079 0 - 2614 H2O 200 H2O O1 6 -0.847600 15.9994 0 - 2615 H2O 200 H2O H1 4 0.423800 1.0079 0 - 2616 H2O 200 H2O H2 4 0.423800 1.0079 0 - 2617 H2O 201 H2O O1 6 -0.847600 15.9994 0 - 2618 H2O 201 H2O H1 4 0.423800 1.0079 0 - 2619 H2O 201 H2O H2 4 0.423800 1.0079 0 - 2620 H2O 202 H2O O1 6 -0.847600 15.9994 0 - 2621 H2O 202 H2O H1 4 0.423800 1.0079 0 - 2622 H2O 202 H2O H2 4 0.423800 1.0079 0 - 2623 h2o 1 h2o O1 5 -0.423800 15.9994 0 - 2624 h2o 1 h2o H1 3 0.211900 1.0079 0 - 2625 h2o 1 h2o H2 3 0.211900 1.0079 0 - 2626 h2o 2 h2o O1 5 -0.423800 15.9994 0 - 2627 h2o 2 h2o H1 3 0.211900 1.0079 0 - 2628 h2o 2 h2o H2 3 0.211900 1.0079 0 - 2629 h2o 3 h2o O1 5 -0.423800 15.9994 0 - 2630 h2o 3 h2o H1 3 0.211900 1.0079 0 - 2631 h2o 3 h2o H2 3 0.211900 1.0079 0 - 2632 h2o 4 h2o O1 5 -0.423800 15.9994 0 - 2633 h2o 4 h2o H1 3 0.211900 1.0079 0 - 2634 h2o 4 h2o H2 3 0.211900 1.0079 0 - 2635 h2o 5 h2o O1 5 -0.423800 15.9994 0 - 2636 h2o 5 h2o H1 3 0.211900 1.0079 0 - 2637 h2o 5 h2o H2 3 0.211900 1.0079 0 - - 414 !NBOND: bonds - 2017 2019 2017 2018 2020 2022 2020 2021 - 2023 2025 2023 2024 2026 2028 2026 2027 - 2029 2031 2029 2030 2032 2034 2032 2033 - 2035 2037 2035 2036 2038 2040 2038 2039 - 2041 2043 2041 2042 2044 2046 2044 2045 - 2047 2049 2047 2048 2050 2052 2050 2051 - 2053 2055 2053 2054 2056 2058 2056 2057 - 2059 2061 2059 2060 2062 2064 2062 2063 - 2065 2067 2065 2066 2068 2070 2068 2069 - 2071 2073 2071 2072 2074 2076 2074 2075 - 2077 2079 2077 2078 2080 2082 2080 2081 - 2083 2085 2083 2084 2086 2088 2086 2087 - 2089 2091 2089 2090 2092 2094 2092 2093 - 2095 2097 2095 2096 2098 2100 2098 2099 - 2101 2103 2101 2102 2104 2106 2104 2105 - 2107 2109 2107 2108 2110 2112 2110 2111 - 2113 2115 2113 2114 2116 2118 2116 2117 - 2119 2121 2119 2120 2122 2124 2122 2123 - 2125 2127 2125 2126 2128 2130 2128 2129 - 2131 2133 2131 2132 2134 2136 2134 2135 - 2137 2139 2137 2138 2140 2142 2140 2141 - 2143 2145 2143 2144 2146 2148 2146 2147 - 2149 2151 2149 2150 2152 2154 2152 2153 - 2155 2157 2155 2156 2158 2160 2158 2159 - 2161 2163 2161 2162 2164 2166 2164 2165 - 2167 2169 2167 2168 2170 2172 2170 2171 - 2173 2175 2173 2174 2176 2178 2176 2177 - 2179 2181 2179 2180 2182 2184 2182 2183 - 2185 2187 2185 2186 2188 2190 2188 2189 - 2191 2193 2191 2192 2194 2196 2194 2195 - 2197 2199 2197 2198 2200 2202 2200 2201 - 2203 2205 2203 2204 2206 2208 2206 2207 - 2209 2211 2209 2210 2212 2214 2212 2213 - 2215 2217 2215 2216 2218 2220 2218 2219 - 2221 2223 2221 2222 2224 2226 2224 2225 - 2227 2229 2227 2228 2230 2232 2230 2231 - 2233 2235 2233 2234 2236 2238 2236 2237 - 2239 2241 2239 2240 2242 2244 2242 2243 - 2245 2247 2245 2246 2248 2250 2248 2249 - 2251 2253 2251 2252 2254 2256 2254 2255 - 2257 2259 2257 2258 2260 2262 2260 2261 - 2263 2265 2263 2264 2266 2268 2266 2267 - 2269 2271 2269 2270 2272 2274 2272 2273 - 2275 2277 2275 2276 2278 2280 2278 2279 - 2281 2283 2281 2282 2284 2286 2284 2285 - 2287 2289 2287 2288 2290 2292 2290 2291 - 2293 2295 2293 2294 2296 2298 2296 2297 - 2299 2301 2299 2300 2302 2304 2302 2303 - 2305 2307 2305 2306 2308 2310 2308 2309 - 2311 2313 2311 2312 2314 2316 2314 2315 - 2317 2319 2317 2318 2320 2322 2320 2321 - 2323 2325 2323 2324 2326 2328 2326 2327 - 2329 2331 2329 2330 2332 2334 2332 2333 - 2335 2337 2335 2336 2338 2340 2338 2339 - 2341 2343 2341 2342 2344 2346 2344 2345 - 2347 2349 2347 2348 2350 2352 2350 2351 - 2353 2355 2353 2354 2356 2358 2356 2357 - 2359 2361 2359 2360 2362 2364 2362 2363 - 2365 2367 2365 2366 2368 2370 2368 2369 - 2371 2373 2371 2372 2374 2376 2374 2375 - 2377 2379 2377 2378 2380 2382 2380 2381 - 2383 2385 2383 2384 2386 2388 2386 2387 - 2389 2391 2389 2390 2392 2394 2392 2393 - 2395 2397 2395 2396 2398 2400 2398 2399 - 2401 2403 2401 2402 2404 2406 2404 2405 - 2407 2409 2407 2408 2410 2412 2410 2411 - 2413 2415 2413 2414 2416 2418 2416 2417 - 2419 2421 2419 2420 2422 2424 2422 2423 - 2425 2427 2425 2426 2428 2430 2428 2429 - 2431 2433 2431 2432 2434 2436 2434 2435 - 2437 2439 2437 2438 2440 2442 2440 2441 - 2443 2445 2443 2444 2446 2448 2446 2447 - 2449 2451 2449 2450 2452 2454 2452 2453 - 2455 2457 2455 2456 2458 2460 2458 2459 - 2461 2463 2461 2462 2464 2466 2464 2465 - 2467 2469 2467 2468 2470 2472 2470 2471 - 2473 2475 2473 2474 2476 2478 2476 2477 - 2479 2481 2479 2480 2482 2484 2482 2483 - 2485 2487 2485 2486 2488 2490 2488 2489 - 2491 2493 2491 2492 2494 2496 2494 2495 - 2497 2499 2497 2498 2500 2502 2500 2501 - 2503 2505 2503 2504 2506 2508 2506 2507 - 2509 2511 2509 2510 2512 2514 2512 2513 - 2515 2517 2515 2516 2518 2520 2518 2519 - 2521 2523 2521 2522 2524 2526 2524 2525 - 2527 2529 2527 2528 2530 2532 2530 2531 - 2533 2535 2533 2534 2536 2538 2536 2537 - 2539 2541 2539 2540 2542 2544 2542 2543 - 2545 2547 2545 2546 2548 2550 2548 2549 - 2551 2553 2551 2552 2554 2556 2554 2555 - 2557 2559 2557 2558 2560 2562 2560 2561 - 2563 2565 2563 2564 2566 2568 2566 2567 - 2569 2571 2569 2570 2572 2574 2572 2573 - 2575 2577 2575 2576 2578 2580 2578 2579 - 2581 2583 2581 2582 2584 2586 2584 2585 - 2587 2589 2587 2588 2590 2592 2590 2591 - 2593 2595 2593 2594 2596 2598 2596 2597 - 2599 2601 2599 2600 2602 2604 2602 2603 - 2605 2607 2605 2606 2608 2610 2608 2609 - 2611 2613 2611 2612 2614 2616 2614 2615 - 2617 2619 2617 2618 2620 2622 2620 2621 - 2624 2623 2625 2623 2627 2626 2628 2626 - 2630 2629 2631 2629 2633 2632 2634 2632 - 2636 2635 2637 2635 - - 207 !NTHETA: angles - 2018 2017 2019 2021 2020 2022 2024 2023 2025 - 2027 2026 2028 2030 2029 2031 2033 2032 2034 - 2036 2035 2037 2039 2038 2040 2042 2041 2043 - 2045 2044 2046 2048 2047 2049 2051 2050 2052 - 2054 2053 2055 2057 2056 2058 2060 2059 2061 - 2063 2062 2064 2066 2065 2067 2069 2068 2070 - 2072 2071 2073 2075 2074 2076 2078 2077 2079 - 2081 2080 2082 2084 2083 2085 2087 2086 2088 - 2090 2089 2091 2093 2092 2094 2096 2095 2097 - 2099 2098 2100 2102 2101 2103 2105 2104 2106 - 2108 2107 2109 2111 2110 2112 2114 2113 2115 - 2117 2116 2118 2120 2119 2121 2123 2122 2124 - 2126 2125 2127 2129 2128 2130 2132 2131 2133 - 2135 2134 2136 2138 2137 2139 2141 2140 2142 - 2144 2143 2145 2147 2146 2148 2150 2149 2151 - 2153 2152 2154 2156 2155 2157 2159 2158 2160 - 2162 2161 2163 2165 2164 2166 2168 2167 2169 - 2171 2170 2172 2174 2173 2175 2177 2176 2178 - 2180 2179 2181 2183 2182 2184 2186 2185 2187 - 2189 2188 2190 2192 2191 2193 2195 2194 2196 - 2198 2197 2199 2201 2200 2202 2204 2203 2205 - 2207 2206 2208 2210 2209 2211 2213 2212 2214 - 2216 2215 2217 2219 2218 2220 2222 2221 2223 - 2225 2224 2226 2228 2227 2229 2231 2230 2232 - 2234 2233 2235 2237 2236 2238 2240 2239 2241 - 2243 2242 2244 2246 2245 2247 2249 2248 2250 - 2252 2251 2253 2255 2254 2256 2258 2257 2259 - 2261 2260 2262 2264 2263 2265 2267 2266 2268 - 2270 2269 2271 2273 2272 2274 2276 2275 2277 - 2279 2278 2280 2282 2281 2283 2285 2284 2286 - 2288 2287 2289 2291 2290 2292 2294 2293 2295 - 2297 2296 2298 2300 2299 2301 2303 2302 2304 - 2306 2305 2307 2309 2308 2310 2312 2311 2313 - 2315 2314 2316 2318 2317 2319 2321 2320 2322 - 2324 2323 2325 2327 2326 2328 2330 2329 2331 - 2333 2332 2334 2336 2335 2337 2339 2338 2340 - 2342 2341 2343 2345 2344 2346 2348 2347 2349 - 2351 2350 2352 2354 2353 2355 2357 2356 2358 - 2360 2359 2361 2363 2362 2364 2366 2365 2367 - 2369 2368 2370 2372 2371 2373 2375 2374 2376 - 2378 2377 2379 2381 2380 2382 2384 2383 2385 - 2387 2386 2388 2390 2389 2391 2393 2392 2394 - 2396 2395 2397 2399 2398 2400 2402 2401 2403 - 2405 2404 2406 2408 2407 2409 2411 2410 2412 - 2414 2413 2415 2417 2416 2418 2420 2419 2421 - 2423 2422 2424 2426 2425 2427 2429 2428 2430 - 2432 2431 2433 2435 2434 2436 2438 2437 2439 - 2441 2440 2442 2444 2443 2445 2447 2446 2448 - 2450 2449 2451 2453 2452 2454 2456 2455 2457 - 2459 2458 2460 2462 2461 2463 2465 2464 2466 - 2468 2467 2469 2471 2470 2472 2474 2473 2475 - 2477 2476 2478 2480 2479 2481 2483 2482 2484 - 2486 2485 2487 2489 2488 2490 2492 2491 2493 - 2495 2494 2496 2498 2497 2499 2501 2500 2502 - 2504 2503 2505 2507 2506 2508 2510 2509 2511 - 2513 2512 2514 2516 2515 2517 2519 2518 2520 - 2522 2521 2523 2525 2524 2526 2528 2527 2529 - 2531 2530 2532 2534 2533 2535 2537 2536 2538 - 2540 2539 2541 2543 2542 2544 2546 2545 2547 - 2549 2548 2550 2552 2551 2553 2555 2554 2556 - 2558 2557 2559 2561 2560 2562 2564 2563 2565 - 2567 2566 2568 2570 2569 2571 2573 2572 2574 - 2576 2575 2577 2579 2578 2580 2582 2581 2583 - 2585 2584 2586 2588 2587 2589 2591 2590 2592 - 2594 2593 2595 2597 2596 2598 2600 2599 2601 - 2603 2602 2604 2606 2605 2607 2609 2608 2610 - 2612 2611 2613 2615 2614 2616 2618 2617 2619 - 2621 2620 2622 2624 2623 2625 2627 2626 2628 - 2630 2629 2631 2633 2632 2634 2636 2635 2637 - - - 0 !NPHI: dihedrals - - diff --git a/simulations/NVT/3x3x1.0nm_3-layer/gomc/wp_NVT_10A.sh b/simulations/NVT/3x3x1.0nm_3-layer/gomc/wp_NVT_10A.sh deleted file mode 100644 index b35c90a..0000000 --- a/simulations/NVT/3x3x1.0nm_3-layer/gomc/wp_NVT_10A.sh +++ /dev/null @@ -1,21 +0,0 @@ -#!/bin/bash - -#SBATCH --job-name 10A_NVT -#SBATCH -q primary -#SBATCH -N 1 -#SBATCH -n 8 -#SBATCH --mem=16G -#SBATCH --constraint=intel -#SBATCH --mail-type=ALL -#SBATCH --mail-user=bc118@wayne.edu -#SBATCH -o output_%j.out -#SBATCH -e errors_%j.err -#SBATCH -t 336:0:0 - -echo "Running on host" hostname -echo "Time is" date -module swap gnu7/7.3.0 intel/2019 - -cd /wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/NVT/3x3x1.0nm_3-layer/gomc - -/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_NVT +p8 slit_water_NVT.conf > slit_water_NVT.dat diff --git a/simulations/NVT/3x3x1.6nm_3-layer/gomc/Blk_Output_data_BOX_0.dat b/simulations/NVT/3x3x1.6nm_3-layer/gomc/Blk_Output_data_BOX_0.dat deleted file mode 100644 index 06c4e5c..0000000 --- a/simulations/NVT/3x3x1.6nm_3-layer/gomc/Blk_Output_data_BOX_0.dat +++ /dev/null @@ -1,11 +0,0 @@ -#STEPS TOT_EN EN_INTER EN_TC EN_INTRA(B) EN_INTRA(NB) EN_ELECT EN_REAL EN_RECIP TOTAL_VIR PRESSURE TOT_MOL TOT_DENS -1000000 1.21972905e+10 3.27409640e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -2.39271657e+06 -2.19420125e+06 1.57526866e+05 8.92682941e+07 1.43532414e+05 4.13000000e+02 1.82676200e+03 -2000000 1.21970910e+10 2.28071741e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -2.49290308e+06 -2.29866681e+06 1.61802424e+05 4.03928872e+06 7.05914455e+03 4.13000000e+02 1.82676200e+03 -3000000 1.21971042e+10 2.22518595e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -2.47414769e+06 -2.30155804e+06 1.83449049e+05 2.32030726e+06 4.30661896e+03 4.13000000e+02 1.82676200e+03 -4000000 1.21970997e+10 2.12675300e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -2.46882453e+06 -2.30502234e+06 1.92236515e+05 1.51547783e+06 3.01788276e+03 4.13000000e+02 1.82676200e+03 -5000000 1.21971059e+10 2.01508271e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -2.45140479e+06 -2.29875838e+06 2.03392284e+05 8.82461748e+05 2.00426336e+03 4.13000000e+02 1.82676200e+03 -6000000 1.21971226e+10 1.94799536e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -2.42803748e+06 -2.29206467e+06 2.20065891e+05 5.80113579e+05 1.52012721e+03 4.13000000e+02 1.82676200e+03 -7000000 1.21971195e+10 1.88143780e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -2.42444071e+06 -2.29464087e+06 2.26238858e+05 -6.22590477e+05 -4.05707238e+02 4.13000000e+02 1.82676200e+03 -8000000 1.21971217e+10 2.00442480e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -2.43458692e+06 -2.31584402e+06 2.37295805e+05 -6.59262357e+05 -4.64428225e+02 4.13000000e+02 1.82676200e+03 -9000000 1.21971367e+10 1.97940505e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -2.41707090e+06 -2.30942721e+06 2.48395005e+05 5.60229362e+05 1.48828753e+03 4.13000000e+02 1.82676200e+03 -10000000 1.21971525e+10 1.98853204e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -2.40213304e+06 -2.30600717e+06 2.59912822e+05 1.91454787e+06 3.65689519e+03 4.13000000e+02 1.82676200e+03 diff --git a/simulations/NVT/3x3x1.6nm_3-layer/gomc/Output_data_merged.psf b/simulations/NVT/3x3x1.6nm_3-layer/gomc/Output_data_merged.psf deleted file mode 100644 index 26d5036..0000000 --- a/simulations/NVT/3x3x1.6nm_3-layer/gomc/Output_data_merged.psf +++ /dev/null @@ -1,3608 +0,0 @@ -PSF - - 2 !NTITLE - REMARKS Combined PSF produced by GOMC - REMARKS Contains Geometry data for molecules in ALL boxes in the system - - 3249 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TOP 1 TOP Cq 2 0.000000 12.0108 0 - 53 TOP 1 TOP Cr 2 0.000000 12.0108 0 - 54 TOP 1 TOP Cs 2 0.000000 12.0108 0 - 55 TOP 1 TOP Ct 2 0.000000 12.0108 0 - 56 TOP 1 TOP Cu 2 0.000000 12.0108 0 - 57 TOP 1 TOP Cv 2 0.000000 12.0108 0 - 58 TOP 1 TOP Cw 2 0.000000 12.0108 0 - 59 TOP 1 TOP Cx 2 0.000000 12.0108 0 - 60 TOP 1 TOP Cy 2 0.000000 12.0108 0 - 61 TOP 1 TOP Cz 2 0.000000 12.0108 0 - 62 TOP 1 TOP C10 2 0.000000 12.0108 0 - 63 TOP 1 TOP C11 2 0.000000 12.0108 0 - 64 TOP 1 TOP C12 2 0.000000 12.0108 0 - 65 TOP 1 TOP C13 2 0.000000 12.0108 0 - 66 TOP 1 TOP C14 2 0.000000 12.0108 0 - 67 TOP 1 TOP C15 2 0.000000 12.0108 0 - 68 TOP 1 TOP C16 2 0.000000 12.0108 0 - 69 TOP 1 TOP C17 2 0.000000 12.0108 0 - 70 TOP 1 TOP C18 2 0.000000 12.0108 0 - 71 TOP 1 TOP C19 2 0.000000 12.0108 0 - 72 TOP 1 TOP C1A 2 0.000000 12.0108 0 - 73 TOP 1 TOP C1B 2 0.000000 12.0108 0 - 74 TOP 1 TOP C1C 2 0.000000 12.0108 0 - 75 TOP 1 TOP C1D 2 0.000000 12.0108 0 - 76 TOP 1 TOP C1E 2 0.000000 12.0108 0 - 77 TOP 1 TOP C1F 2 0.000000 12.0108 0 - 78 TOP 1 TOP C1G 2 0.000000 12.0108 0 - 79 TOP 1 TOP C1H 2 0.000000 12.0108 0 - 80 TOP 1 TOP C1I 2 0.000000 12.0108 0 - 81 TOP 1 TOP C1J 2 0.000000 12.0108 0 - 82 TOP 1 TOP C1K 2 0.000000 12.0108 0 - 83 TOP 1 TOP C1L 2 0.000000 12.0108 0 - 84 TOP 1 TOP C1M 2 0.000000 12.0108 0 - 85 TOP 1 TOP C1N 2 0.000000 12.0108 0 - 86 TOP 1 TOP C1O 2 0.000000 12.0108 0 - 87 TOP 1 TOP C1P 2 0.000000 12.0108 0 - 88 TOP 1 TOP C1Q 2 0.000000 12.0108 0 - 89 TOP 1 TOP C1R 2 0.000000 12.0108 0 - 90 TOP 1 TOP C1S 2 0.000000 12.0108 0 - 91 TOP 1 TOP C1T 2 0.000000 12.0108 0 - 92 TOP 1 TOP C1U 2 0.000000 12.0108 0 - 93 TOP 1 TOP C1V 2 0.000000 12.0108 0 - 94 TOP 1 TOP C1W 2 0.000000 12.0108 0 - 95 TOP 1 TOP C1X 2 0.000000 12.0108 0 - 96 TOP 1 TOP C1Y 2 0.000000 12.0108 0 - 97 TOP 1 TOP C1Z 2 0.000000 12.0108 0 - 98 TOP 1 TOP C1a 2 0.000000 12.0108 0 - 99 TOP 1 TOP C1b 2 0.000000 12.0108 0 - 100 TOP 1 TOP C1c 2 0.000000 12.0108 0 - 101 TOP 1 TOP C1d 2 0.000000 12.0108 0 - 102 TOP 1 TOP C1e 2 0.000000 12.0108 0 - 103 TOP 1 TOP C1f 2 0.000000 12.0108 0 - 104 TOP 1 TOP C1g 2 0.000000 12.0108 0 - 105 TOP 1 TOP C1h 2 0.000000 12.0108 0 - 106 TOP 1 TOP C1i 2 0.000000 12.0108 0 - 107 TOP 1 TOP C1j 2 0.000000 12.0108 0 - 108 TOP 1 TOP C1k 2 0.000000 12.0108 0 - 109 TOP 1 TOP C1l 2 0.000000 12.0108 0 - 110 TOP 1 TOP C1m 2 0.000000 12.0108 0 - 111 TOP 1 TOP C1n 2 0.000000 12.0108 0 - 112 TOP 1 TOP C1o 2 0.000000 12.0108 0 - 113 TOP 1 TOP C1p 2 0.000000 12.0108 0 - 114 TOP 1 TOP C1q 2 0.000000 12.0108 0 - 115 TOP 1 TOP C1r 2 0.000000 12.0108 0 - 116 TOP 1 TOP C1s 2 0.000000 12.0108 0 - 117 TOP 1 TOP C1t 2 0.000000 12.0108 0 - 118 TOP 1 TOP C1u 2 0.000000 12.0108 0 - 119 TOP 1 TOP C1v 2 0.000000 12.0108 0 - 120 TOP 1 TOP C1w 2 0.000000 12.0108 0 - 121 TOP 1 TOP C1x 2 0.000000 12.0108 0 - 122 TOP 1 TOP C1y 2 0.000000 12.0108 0 - 123 TOP 1 TOP C1z 2 0.000000 12.0108 0 - 124 TOP 1 TOP C20 2 0.000000 12.0108 0 - 125 TOP 1 TOP C21 2 0.000000 12.0108 0 - 126 TOP 1 TOP C22 2 0.000000 12.0108 0 - 127 TOP 1 TOP C23 2 0.000000 12.0108 0 - 128 TOP 1 TOP C24 2 0.000000 12.0108 0 - 129 TOP 1 TOP C25 2 0.000000 12.0108 0 - 130 TOP 1 TOP C26 2 0.000000 12.0108 0 - 131 TOP 1 TOP C27 2 0.000000 12.0108 0 - 132 TOP 1 TOP C28 2 0.000000 12.0108 0 - 133 TOP 1 TOP C29 2 0.000000 12.0108 0 - 134 TOP 1 TOP C2A 2 0.000000 12.0108 0 - 135 TOP 1 TOP C2B 2 0.000000 12.0108 0 - 136 TOP 1 TOP C2C 2 0.000000 12.0108 0 - 137 TOP 1 TOP C2D 2 0.000000 12.0108 0 - 138 TOP 1 TOP C2E 2 0.000000 12.0108 0 - 139 TOP 1 TOP C2F 2 0.000000 12.0108 0 - 140 TOP 1 TOP C2G 2 0.000000 12.0108 0 - 141 TOP 1 TOP C2H 2 0.000000 12.0108 0 - 142 TOP 1 TOP C2I 2 0.000000 12.0108 0 - 143 TOP 1 TOP C2J 2 0.000000 12.0108 0 - 144 TOP 1 TOP C2K 2 0.000000 12.0108 0 - 145 TOP 1 TOP C2L 2 0.000000 12.0108 0 - 146 TOP 1 TOP C2M 2 0.000000 12.0108 0 - 147 TOP 1 TOP C2N 2 0.000000 12.0108 0 - 148 TOP 1 TOP C2O 2 0.000000 12.0108 0 - 149 TOP 1 TOP C2P 2 0.000000 12.0108 0 - 150 TOP 1 TOP C2Q 2 0.000000 12.0108 0 - 151 TOP 1 TOP C2R 2 0.000000 12.0108 0 - 152 TOP 1 TOP C2S 2 0.000000 12.0108 0 - 153 TOP 1 TOP C2T 2 0.000000 12.0108 0 - 154 TOP 1 TOP C2U 2 0.000000 12.0108 0 - 155 TOP 1 TOP C2V 2 0.000000 12.0108 0 - 156 TOP 1 TOP C2W 2 0.000000 12.0108 0 - 157 TOP 1 TOP C2X 2 0.000000 12.0108 0 - 158 TOP 1 TOP C2Y 2 0.000000 12.0108 0 - 159 TOP 1 TOP C2Z 2 0.000000 12.0108 0 - 160 TOP 1 TOP C2a 2 0.000000 12.0108 0 - 161 TOP 1 TOP C2b 2 0.000000 12.0108 0 - 162 TOP 1 TOP C2c 2 0.000000 12.0108 0 - 163 TOP 1 TOP C2d 2 0.000000 12.0108 0 - 164 TOP 1 TOP C2e 2 0.000000 12.0108 0 - 165 TOP 1 TOP C2f 2 0.000000 12.0108 0 - 166 TOP 1 TOP C2g 2 0.000000 12.0108 0 - 167 TOP 1 TOP C2h 2 0.000000 12.0108 0 - 168 TOP 1 TOP C2i 2 0.000000 12.0108 0 - 169 TOP 1 TOP C2j 2 0.000000 12.0108 0 - 170 TOP 1 TOP C2k 2 0.000000 12.0108 0 - 171 TOP 1 TOP C2l 2 0.000000 12.0108 0 - 172 TOP 1 TOP C2m 2 0.000000 12.0108 0 - 173 TOP 1 TOP C2n 2 0.000000 12.0108 0 - 174 TOP 1 TOP C2o 2 0.000000 12.0108 0 - 175 TOP 1 TOP C2p 2 0.000000 12.0108 0 - 176 TOP 1 TOP C2q 2 0.000000 12.0108 0 - 177 TOP 1 TOP C2r 2 0.000000 12.0108 0 - 178 TOP 1 TOP C2s 2 0.000000 12.0108 0 - 179 TOP 1 TOP C2t 2 0.000000 12.0108 0 - 180 TOP 1 TOP C2u 2 0.000000 12.0108 0 - 181 TOP 1 TOP C2v 2 0.000000 12.0108 0 - 182 TOP 1 TOP C2w 2 0.000000 12.0108 0 - 183 TOP 1 TOP C2x 2 0.000000 12.0108 0 - 184 TOP 1 TOP C2y 2 0.000000 12.0108 0 - 185 TOP 1 TOP C2z 2 0.000000 12.0108 0 - 186 TOP 1 TOP C30 2 0.000000 12.0108 0 - 187 TOP 1 TOP C31 2 0.000000 12.0108 0 - 188 TOP 1 TOP C32 2 0.000000 12.0108 0 - 189 TOP 1 TOP C33 2 0.000000 12.0108 0 - 190 TOP 1 TOP C34 2 0.000000 12.0108 0 - 191 TOP 1 TOP C35 2 0.000000 12.0108 0 - 192 TOP 1 TOP C36 2 0.000000 12.0108 0 - 193 TOP 1 TOP C37 2 0.000000 12.0108 0 - 194 TOP 1 TOP C38 2 0.000000 12.0108 0 - 195 TOP 1 TOP C39 2 0.000000 12.0108 0 - 196 TOP 1 TOP C3A 2 0.000000 12.0108 0 - 197 TOP 1 TOP C3B 2 0.000000 12.0108 0 - 198 TOP 1 TOP C3C 2 0.000000 12.0108 0 - 199 TOP 1 TOP C3D 2 0.000000 12.0108 0 - 200 TOP 1 TOP C3E 2 0.000000 12.0108 0 - 201 TOP 1 TOP C3F 2 0.000000 12.0108 0 - 202 TOP 1 TOP C3G 2 0.000000 12.0108 0 - 203 TOP 1 TOP C3H 2 0.000000 12.0108 0 - 204 TOP 1 TOP C3I 2 0.000000 12.0108 0 - 205 TOP 1 TOP C3J 2 0.000000 12.0108 0 - 206 TOP 1 TOP C3K 2 0.000000 12.0108 0 - 207 TOP 1 TOP C3L 2 0.000000 12.0108 0 - 208 TOP 1 TOP C3M 2 0.000000 12.0108 0 - 209 TOP 1 TOP C3N 2 0.000000 12.0108 0 - 210 TOP 1 TOP C3O 2 0.000000 12.0108 0 - 211 TOP 1 TOP C3P 2 0.000000 12.0108 0 - 212 TOP 1 TOP C3Q 2 0.000000 12.0108 0 - 213 TOP 1 TOP C3R 2 0.000000 12.0108 0 - 214 TOP 1 TOP C3S 2 0.000000 12.0108 0 - 215 TOP 1 TOP C3T 2 0.000000 12.0108 0 - 216 TOP 1 TOP C3U 2 0.000000 12.0108 0 - 217 TOP 1 TOP C3V 2 0.000000 12.0108 0 - 218 TOP 1 TOP C3W 2 0.000000 12.0108 0 - 219 TOP 1 TOP C3X 2 0.000000 12.0108 0 - 220 TOP 1 TOP C3Y 2 0.000000 12.0108 0 - 221 TOP 1 TOP C3Z 2 0.000000 12.0108 0 - 222 TOP 1 TOP C3a 2 0.000000 12.0108 0 - 223 TOP 1 TOP C3b 2 0.000000 12.0108 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H2O 52 H2O O1 6 -0.847600 15.9994 0 - 2171 H2O 52 H2O H1 4 0.423800 1.0079 0 - 2172 H2O 52 H2O H2 4 0.423800 1.0079 0 - 2173 H2O 53 H2O O1 6 -0.847600 15.9994 0 - 2174 H2O 53 H2O H1 4 0.423800 1.0079 0 - 2175 H2O 53 H2O H2 4 0.423800 1.0079 0 - 2176 H2O 54 H2O O1 6 -0.847600 15.9994 0 - 2177 H2O 54 H2O H1 4 0.423800 1.0079 0 - 2178 H2O 54 H2O H2 4 0.423800 1.0079 0 - 2179 H2O 55 H2O O1 6 -0.847600 15.9994 0 - 2180 H2O 55 H2O H1 4 0.423800 1.0079 0 - 2181 H2O 55 H2O H2 4 0.423800 1.0079 0 - 2182 H2O 56 H2O O1 6 -0.847600 15.9994 0 - 2183 H2O 56 H2O H1 4 0.423800 1.0079 0 - 2184 H2O 56 H2O H2 4 0.423800 1.0079 0 - 2185 H2O 57 H2O O1 6 -0.847600 15.9994 0 - 2186 H2O 57 H2O H1 4 0.423800 1.0079 0 - 2187 H2O 57 H2O H2 4 0.423800 1.0079 0 - 2188 H2O 58 H2O O1 6 -0.847600 15.9994 0 - 2189 H2O 58 H2O H1 4 0.423800 1.0079 0 - 2190 H2O 58 H2O H2 4 0.423800 1.0079 0 - 2191 H2O 59 H2O O1 6 -0.847600 15.9994 0 - 2192 H2O 59 H2O H1 4 0.423800 1.0079 0 - 2193 H2O 59 H2O H2 4 0.423800 1.0079 0 - 2194 H2O 60 H2O O1 6 -0.847600 15.9994 0 - 2195 H2O 60 H2O H1 4 0.423800 1.0079 0 - 2196 H2O 60 H2O H2 4 0.423800 1.0079 0 - 2197 H2O 61 H2O O1 6 -0.847600 15.9994 0 - 2198 H2O 61 H2O H1 4 0.423800 1.0079 0 - 2199 H2O 61 H2O H2 4 0.423800 1.0079 0 - 2200 H2O 62 H2O O1 6 -0.847600 15.9994 0 - 2201 H2O 62 H2O H1 4 0.423800 1.0079 0 - 2202 H2O 62 H2O H2 4 0.423800 1.0079 0 - 2203 H2O 63 H2O O1 6 -0.847600 15.9994 0 - 2204 H2O 63 H2O H1 4 0.423800 1.0079 0 - 2205 H2O 63 H2O H2 4 0.423800 1.0079 0 - 2206 H2O 64 H2O O1 6 -0.847600 15.9994 0 - 2207 H2O 64 H2O H1 4 0.423800 1.0079 0 - 2208 H2O 64 H2O H2 4 0.423800 1.0079 0 - 2209 H2O 65 H2O O1 6 -0.847600 15.9994 0 - 2210 H2O 65 H2O H1 4 0.423800 1.0079 0 - 2211 H2O 65 H2O H2 4 0.423800 1.0079 0 - 2212 H2O 66 H2O O1 6 -0.847600 15.9994 0 - 2213 H2O 66 H2O H1 4 0.423800 1.0079 0 - 2214 H2O 66 H2O H2 4 0.423800 1.0079 0 - 2215 H2O 67 H2O O1 6 -0.847600 15.9994 0 - 2216 H2O 67 H2O H1 4 0.423800 1.0079 0 - 2217 H2O 67 H2O H2 4 0.423800 1.0079 0 - 2218 H2O 68 H2O O1 6 -0.847600 15.9994 0 - 2219 H2O 68 H2O H1 4 0.423800 1.0079 0 - 2220 H2O 68 H2O H2 4 0.423800 1.0079 0 - 2221 H2O 69 H2O O1 6 -0.847600 15.9994 0 - 2222 H2O 69 H2O H1 4 0.423800 1.0079 0 - 2223 H2O 69 H2O H2 4 0.423800 1.0079 0 - 2224 H2O 70 H2O O1 6 -0.847600 15.9994 0 - 2225 H2O 70 H2O H1 4 0.423800 1.0079 0 - 2226 H2O 70 H2O H2 4 0.423800 1.0079 0 - 2227 H2O 71 H2O O1 6 -0.847600 15.9994 0 - 2228 H2O 71 H2O H1 4 0.423800 1.0079 0 - 2229 H2O 71 H2O H2 4 0.423800 1.0079 0 - 2230 H2O 72 H2O O1 6 -0.847600 15.9994 0 - 2231 H2O 72 H2O H1 4 0.423800 1.0079 0 - 2232 H2O 72 H2O H2 4 0.423800 1.0079 0 - 2233 H2O 73 H2O O1 6 -0.847600 15.9994 0 - 2234 H2O 73 H2O H1 4 0.423800 1.0079 0 - 2235 H2O 73 H2O H2 4 0.423800 1.0079 0 - 2236 H2O 74 H2O O1 6 -0.847600 15.9994 0 - 2237 H2O 74 H2O H1 4 0.423800 1.0079 0 - 2238 H2O 74 H2O H2 4 0.423800 1.0079 0 - 2239 H2O 75 H2O O1 6 -0.847600 15.9994 0 - 2240 H2O 75 H2O H1 4 0.423800 1.0079 0 - 2241 H2O 75 H2O H2 4 0.423800 1.0079 0 - 2242 H2O 76 H2O O1 6 -0.847600 15.9994 0 - 2243 H2O 76 H2O H1 4 0.423800 1.0079 0 - 2244 H2O 76 H2O H2 4 0.423800 1.0079 0 - 2245 H2O 77 H2O O1 6 -0.847600 15.9994 0 - 2246 H2O 77 H2O H1 4 0.423800 1.0079 0 - 2247 H2O 77 H2O H2 4 0.423800 1.0079 0 - 2248 H2O 78 H2O O1 6 -0.847600 15.9994 0 - 2249 H2O 78 H2O H1 4 0.423800 1.0079 0 - 2250 H2O 78 H2O H2 4 0.423800 1.0079 0 - 2251 H2O 79 H2O O1 6 -0.847600 15.9994 0 - 2252 H2O 79 H2O H1 4 0.423800 1.0079 0 - 2253 H2O 79 H2O H2 4 0.423800 1.0079 0 - 2254 H2O 80 H2O O1 6 -0.847600 15.9994 0 - 2255 H2O 80 H2O H1 4 0.423800 1.0079 0 - 2256 H2O 80 H2O H2 4 0.423800 1.0079 0 - 2257 H2O 81 H2O O1 6 -0.847600 15.9994 0 - 2258 H2O 81 H2O H1 4 0.423800 1.0079 0 - 2259 H2O 81 H2O H2 4 0.423800 1.0079 0 - 2260 H2O 82 H2O O1 6 -0.847600 15.9994 0 - 2261 H2O 82 H2O H1 4 0.423800 1.0079 0 - 2262 H2O 82 H2O H2 4 0.423800 1.0079 0 - 2263 H2O 83 H2O O1 6 -0.847600 15.9994 0 - 2264 H2O 83 H2O H1 4 0.423800 1.0079 0 - 2265 H2O 83 H2O H2 4 0.423800 1.0079 0 - 2266 H2O 84 H2O O1 6 -0.847600 15.9994 0 - 2267 H2O 84 H2O H1 4 0.423800 1.0079 0 - 2268 H2O 84 H2O H2 4 0.423800 1.0079 0 - 2269 H2O 85 H2O O1 6 -0.847600 15.9994 0 - 2270 H2O 85 H2O H1 4 0.423800 1.0079 0 - 2271 H2O 85 H2O H2 4 0.423800 1.0079 0 - 2272 H2O 86 H2O O1 6 -0.847600 15.9994 0 - 2273 H2O 86 H2O H1 4 0.423800 1.0079 0 - 2274 H2O 86 H2O H2 4 0.423800 1.0079 0 - 2275 H2O 87 H2O O1 6 -0.847600 15.9994 0 - 2276 H2O 87 H2O H1 4 0.423800 1.0079 0 - 2277 H2O 87 H2O H2 4 0.423800 1.0079 0 - 2278 H2O 88 H2O O1 6 -0.847600 15.9994 0 - 2279 H2O 88 H2O H1 4 0.423800 1.0079 0 - 2280 H2O 88 H2O H2 4 0.423800 1.0079 0 - 2281 H2O 89 H2O O1 6 -0.847600 15.9994 0 - 2282 H2O 89 H2O H1 4 0.423800 1.0079 0 - 2283 H2O 89 H2O H2 4 0.423800 1.0079 0 - 2284 H2O 90 H2O O1 6 -0.847600 15.9994 0 - 2285 H2O 90 H2O H1 4 0.423800 1.0079 0 - 2286 H2O 90 H2O H2 4 0.423800 1.0079 0 - 2287 H2O 91 H2O O1 6 -0.847600 15.9994 0 - 2288 H2O 91 H2O H1 4 0.423800 1.0079 0 - 2289 H2O 91 H2O H2 4 0.423800 1.0079 0 - 2290 H2O 92 H2O O1 6 -0.847600 15.9994 0 - 2291 H2O 92 H2O H1 4 0.423800 1.0079 0 - 2292 H2O 92 H2O H2 4 0.423800 1.0079 0 - 2293 H2O 93 H2O O1 6 -0.847600 15.9994 0 - 2294 H2O 93 H2O H1 4 0.423800 1.0079 0 - 2295 H2O 93 H2O H2 4 0.423800 1.0079 0 - 2296 H2O 94 H2O O1 6 -0.847600 15.9994 0 - 2297 H2O 94 H2O H1 4 0.423800 1.0079 0 - 2298 H2O 94 H2O H2 4 0.423800 1.0079 0 - 2299 H2O 95 H2O O1 6 -0.847600 15.9994 0 - 2300 H2O 95 H2O H1 4 0.423800 1.0079 0 - 2301 H2O 95 H2O H2 4 0.423800 1.0079 0 - 2302 H2O 96 H2O O1 6 -0.847600 15.9994 0 - 2303 H2O 96 H2O H1 4 0.423800 1.0079 0 - 2304 H2O 96 H2O H2 4 0.423800 1.0079 0 - 2305 H2O 97 H2O O1 6 -0.847600 15.9994 0 - 2306 H2O 97 H2O H1 4 0.423800 1.0079 0 - 2307 H2O 97 H2O H2 4 0.423800 1.0079 0 - 2308 H2O 98 H2O O1 6 -0.847600 15.9994 0 - 2309 H2O 98 H2O H1 4 0.423800 1.0079 0 - 2310 H2O 98 H2O H2 4 0.423800 1.0079 0 - 2311 H2O 99 H2O O1 6 -0.847600 15.9994 0 - 2312 H2O 99 H2O H1 4 0.423800 1.0079 0 - 2313 H2O 99 H2O H2 4 0.423800 1.0079 0 - 2314 H2O 100 H2O O1 6 -0.847600 15.9994 0 - 2315 H2O 100 H2O H1 4 0.423800 1.0079 0 - 2316 H2O 100 H2O H2 4 0.423800 1.0079 0 - 2317 H2O 101 H2O O1 6 -0.847600 15.9994 0 - 2318 H2O 101 H2O H1 4 0.423800 1.0079 0 - 2319 H2O 101 H2O H2 4 0.423800 1.0079 0 - 2320 H2O 102 H2O O1 6 -0.847600 15.9994 0 - 2321 H2O 102 H2O H1 4 0.423800 1.0079 0 - 2322 H2O 102 H2O H2 4 0.423800 1.0079 0 - 2323 H2O 103 H2O O1 6 -0.847600 15.9994 0 - 2324 H2O 103 H2O H1 4 0.423800 1.0079 0 - 2325 H2O 103 H2O H2 4 0.423800 1.0079 0 - 2326 H2O 104 H2O O1 6 -0.847600 15.9994 0 - 2327 H2O 104 H2O H1 4 0.423800 1.0079 0 - 2328 H2O 104 H2O H2 4 0.423800 1.0079 0 - 2329 H2O 105 H2O O1 6 -0.847600 15.9994 0 - 2330 H2O 105 H2O H1 4 0.423800 1.0079 0 - 2331 H2O 105 H2O H2 4 0.423800 1.0079 0 - 2332 H2O 106 H2O O1 6 -0.847600 15.9994 0 - 2333 H2O 106 H2O H1 4 0.423800 1.0079 0 - 2334 H2O 106 H2O H2 4 0.423800 1.0079 0 - 2335 H2O 107 H2O O1 6 -0.847600 15.9994 0 - 2336 H2O 107 H2O H1 4 0.423800 1.0079 0 - 2337 H2O 107 H2O H2 4 0.423800 1.0079 0 - 2338 H2O 108 H2O O1 6 -0.847600 15.9994 0 - 2339 H2O 108 H2O H1 4 0.423800 1.0079 0 - 2340 H2O 108 H2O H2 4 0.423800 1.0079 0 - 2341 H2O 109 H2O O1 6 -0.847600 15.9994 0 - 2342 H2O 109 H2O H1 4 0.423800 1.0079 0 - 2343 H2O 109 H2O H2 4 0.423800 1.0079 0 - 2344 H2O 110 H2O O1 6 -0.847600 15.9994 0 - 2345 H2O 110 H2O H1 4 0.423800 1.0079 0 - 2346 H2O 110 H2O H2 4 0.423800 1.0079 0 - 2347 H2O 111 H2O O1 6 -0.847600 15.9994 0 - 2348 H2O 111 H2O H1 4 0.423800 1.0079 0 - 2349 H2O 111 H2O H2 4 0.423800 1.0079 0 - 2350 H2O 112 H2O O1 6 -0.847600 15.9994 0 - 2351 H2O 112 H2O H1 4 0.423800 1.0079 0 - 2352 H2O 112 H2O H2 4 0.423800 1.0079 0 - 2353 H2O 113 H2O O1 6 -0.847600 15.9994 0 - 2354 H2O 113 H2O H1 4 0.423800 1.0079 0 - 2355 H2O 113 H2O H2 4 0.423800 1.0079 0 - 2356 H2O 114 H2O O1 6 -0.847600 15.9994 0 - 2357 H2O 114 H2O H1 4 0.423800 1.0079 0 - 2358 H2O 114 H2O H2 4 0.423800 1.0079 0 - 2359 H2O 115 H2O O1 6 -0.847600 15.9994 0 - 2360 H2O 115 H2O H1 4 0.423800 1.0079 0 - 2361 H2O 115 H2O H2 4 0.423800 1.0079 0 - 2362 H2O 116 H2O O1 6 -0.847600 15.9994 0 - 2363 H2O 116 H2O H1 4 0.423800 1.0079 0 - 2364 H2O 116 H2O H2 4 0.423800 1.0079 0 - 2365 H2O 117 H2O O1 6 -0.847600 15.9994 0 - 2366 H2O 117 H2O H1 4 0.423800 1.0079 0 - 2367 H2O 117 H2O H2 4 0.423800 1.0079 0 - 2368 H2O 118 H2O O1 6 -0.847600 15.9994 0 - 2369 H2O 118 H2O H1 4 0.423800 1.0079 0 - 2370 H2O 118 H2O H2 4 0.423800 1.0079 0 - 2371 H2O 119 H2O O1 6 -0.847600 15.9994 0 - 2372 H2O 119 H2O H1 4 0.423800 1.0079 0 - 2373 H2O 119 H2O H2 4 0.423800 1.0079 0 - 2374 H2O 120 H2O O1 6 -0.847600 15.9994 0 - 2375 H2O 120 H2O H1 4 0.423800 1.0079 0 - 2376 H2O 120 H2O H2 4 0.423800 1.0079 0 - 2377 H2O 121 H2O O1 6 -0.847600 15.9994 0 - 2378 H2O 121 H2O H1 4 0.423800 1.0079 0 - 2379 H2O 121 H2O H2 4 0.423800 1.0079 0 - 2380 H2O 122 H2O O1 6 -0.847600 15.9994 0 - 2381 H2O 122 H2O H1 4 0.423800 1.0079 0 - 2382 H2O 122 H2O H2 4 0.423800 1.0079 0 - 2383 H2O 123 H2O O1 6 -0.847600 15.9994 0 - 2384 H2O 123 H2O H1 4 0.423800 1.0079 0 - 2385 H2O 123 H2O H2 4 0.423800 1.0079 0 - 2386 H2O 124 H2O O1 6 -0.847600 15.9994 0 - 2387 H2O 124 H2O H1 4 0.423800 1.0079 0 - 2388 H2O 124 H2O H2 4 0.423800 1.0079 0 - 2389 H2O 125 H2O O1 6 -0.847600 15.9994 0 - 2390 H2O 125 H2O H1 4 0.423800 1.0079 0 - 2391 H2O 125 H2O H2 4 0.423800 1.0079 0 - 2392 H2O 126 H2O O1 6 -0.847600 15.9994 0 - 2393 H2O 126 H2O H1 4 0.423800 1.0079 0 - 2394 H2O 126 H2O H2 4 0.423800 1.0079 0 - 2395 H2O 127 H2O O1 6 -0.847600 15.9994 0 - 2396 H2O 127 H2O H1 4 0.423800 1.0079 0 - 2397 H2O 127 H2O H2 4 0.423800 1.0079 0 - 2398 H2O 128 H2O O1 6 -0.847600 15.9994 0 - 2399 H2O 128 H2O H1 4 0.423800 1.0079 0 - 2400 H2O 128 H2O H2 4 0.423800 1.0079 0 - 2401 H2O 129 H2O O1 6 -0.847600 15.9994 0 - 2402 H2O 129 H2O H1 4 0.423800 1.0079 0 - 2403 H2O 129 H2O H2 4 0.423800 1.0079 0 - 2404 H2O 130 H2O O1 6 -0.847600 15.9994 0 - 2405 H2O 130 H2O H1 4 0.423800 1.0079 0 - 2406 H2O 130 H2O H2 4 0.423800 1.0079 0 - 2407 H2O 131 H2O O1 6 -0.847600 15.9994 0 - 2408 H2O 131 H2O H1 4 0.423800 1.0079 0 - 2409 H2O 131 H2O H2 4 0.423800 1.0079 0 - 2410 H2O 132 H2O O1 6 -0.847600 15.9994 0 - 2411 H2O 132 H2O H1 4 0.423800 1.0079 0 - 2412 H2O 132 H2O H2 4 0.423800 1.0079 0 - 2413 H2O 133 H2O O1 6 -0.847600 15.9994 0 - 2414 H2O 133 H2O H1 4 0.423800 1.0079 0 - 2415 H2O 133 H2O H2 4 0.423800 1.0079 0 - 2416 H2O 134 H2O O1 6 -0.847600 15.9994 0 - 2417 H2O 134 H2O H1 4 0.423800 1.0079 0 - 2418 H2O 134 H2O H2 4 0.423800 1.0079 0 - 2419 H2O 135 H2O O1 6 -0.847600 15.9994 0 - 2420 H2O 135 H2O H1 4 0.423800 1.0079 0 - 2421 H2O 135 H2O H2 4 0.423800 1.0079 0 - 2422 H2O 136 H2O O1 6 -0.847600 15.9994 0 - 2423 H2O 136 H2O H1 4 0.423800 1.0079 0 - 2424 H2O 136 H2O H2 4 0.423800 1.0079 0 - 2425 H2O 137 H2O O1 6 -0.847600 15.9994 0 - 2426 H2O 137 H2O H1 4 0.423800 1.0079 0 - 2427 H2O 137 H2O H2 4 0.423800 1.0079 0 - 2428 H2O 138 H2O O1 6 -0.847600 15.9994 0 - 2429 H2O 138 H2O H1 4 0.423800 1.0079 0 - 2430 H2O 138 H2O H2 4 0.423800 1.0079 0 - 2431 H2O 139 H2O O1 6 -0.847600 15.9994 0 - 2432 H2O 139 H2O H1 4 0.423800 1.0079 0 - 2433 H2O 139 H2O H2 4 0.423800 1.0079 0 - 2434 H2O 140 H2O O1 6 -0.847600 15.9994 0 - 2435 H2O 140 H2O H1 4 0.423800 1.0079 0 - 2436 H2O 140 H2O H2 4 0.423800 1.0079 0 - 2437 H2O 141 H2O O1 6 -0.847600 15.9994 0 - 2438 H2O 141 H2O H1 4 0.423800 1.0079 0 - 2439 H2O 141 H2O H2 4 0.423800 1.0079 0 - 2440 H2O 142 H2O O1 6 -0.847600 15.9994 0 - 2441 H2O 142 H2O H1 4 0.423800 1.0079 0 - 2442 H2O 142 H2O H2 4 0.423800 1.0079 0 - 2443 H2O 143 H2O O1 6 -0.847600 15.9994 0 - 2444 H2O 143 H2O H1 4 0.423800 1.0079 0 - 2445 H2O 143 H2O H2 4 0.423800 1.0079 0 - 2446 H2O 144 H2O O1 6 -0.847600 15.9994 0 - 2447 H2O 144 H2O H1 4 0.423800 1.0079 0 - 2448 H2O 144 H2O H2 4 0.423800 1.0079 0 - 2449 H2O 145 H2O O1 6 -0.847600 15.9994 0 - 2450 H2O 145 H2O H1 4 0.423800 1.0079 0 - 2451 H2O 145 H2O H2 4 0.423800 1.0079 0 - 2452 H2O 146 H2O O1 6 -0.847600 15.9994 0 - 2453 H2O 146 H2O H1 4 0.423800 1.0079 0 - 2454 H2O 146 H2O H2 4 0.423800 1.0079 0 - 2455 H2O 147 H2O O1 6 -0.847600 15.9994 0 - 2456 H2O 147 H2O H1 4 0.423800 1.0079 0 - 2457 H2O 147 H2O H2 4 0.423800 1.0079 0 - 2458 H2O 148 H2O O1 6 -0.847600 15.9994 0 - 2459 H2O 148 H2O H1 4 0.423800 1.0079 0 - 2460 H2O 148 H2O H2 4 0.423800 1.0079 0 - 2461 H2O 149 H2O O1 6 -0.847600 15.9994 0 - 2462 H2O 149 H2O H1 4 0.423800 1.0079 0 - 2463 H2O 149 H2O H2 4 0.423800 1.0079 0 - 2464 H2O 150 H2O O1 6 -0.847600 15.9994 0 - 2465 H2O 150 H2O H1 4 0.423800 1.0079 0 - 2466 H2O 150 H2O H2 4 0.423800 1.0079 0 - 2467 H2O 151 H2O O1 6 -0.847600 15.9994 0 - 2468 H2O 151 H2O H1 4 0.423800 1.0079 0 - 2469 H2O 151 H2O H2 4 0.423800 1.0079 0 - 2470 H2O 152 H2O O1 6 -0.847600 15.9994 0 - 2471 H2O 152 H2O H1 4 0.423800 1.0079 0 - 2472 H2O 152 H2O H2 4 0.423800 1.0079 0 - 2473 H2O 153 H2O O1 6 -0.847600 15.9994 0 - 2474 H2O 153 H2O H1 4 0.423800 1.0079 0 - 2475 H2O 153 H2O H2 4 0.423800 1.0079 0 - 2476 H2O 154 H2O O1 6 -0.847600 15.9994 0 - 2477 H2O 154 H2O H1 4 0.423800 1.0079 0 - 2478 H2O 154 H2O H2 4 0.423800 1.0079 0 - 2479 H2O 155 H2O O1 6 -0.847600 15.9994 0 - 2480 H2O 155 H2O H1 4 0.423800 1.0079 0 - 2481 H2O 155 H2O H2 4 0.423800 1.0079 0 - 2482 H2O 156 H2O O1 6 -0.847600 15.9994 0 - 2483 H2O 156 H2O H1 4 0.423800 1.0079 0 - 2484 H2O 156 H2O H2 4 0.423800 1.0079 0 - 2485 H2O 157 H2O O1 6 -0.847600 15.9994 0 - 2486 H2O 157 H2O H1 4 0.423800 1.0079 0 - 2487 H2O 157 H2O H2 4 0.423800 1.0079 0 - 2488 H2O 158 H2O O1 6 -0.847600 15.9994 0 - 2489 H2O 158 H2O H1 4 0.423800 1.0079 0 - 2490 H2O 158 H2O H2 4 0.423800 1.0079 0 - 2491 H2O 159 H2O O1 6 -0.847600 15.9994 0 - 2492 H2O 159 H2O H1 4 0.423800 1.0079 0 - 2493 H2O 159 H2O H2 4 0.423800 1.0079 0 - 2494 H2O 160 H2O O1 6 -0.847600 15.9994 0 - 2495 H2O 160 H2O H1 4 0.423800 1.0079 0 - 2496 H2O 160 H2O H2 4 0.423800 1.0079 0 - 2497 H2O 161 H2O O1 6 -0.847600 15.9994 0 - 2498 H2O 161 H2O H1 4 0.423800 1.0079 0 - 2499 H2O 161 H2O H2 4 0.423800 1.0079 0 - 2500 H2O 162 H2O O1 6 -0.847600 15.9994 0 - 2501 H2O 162 H2O H1 4 0.423800 1.0079 0 - 2502 H2O 162 H2O H2 4 0.423800 1.0079 0 - 2503 H2O 163 H2O O1 6 -0.847600 15.9994 0 - 2504 H2O 163 H2O H1 4 0.423800 1.0079 0 - 2505 H2O 163 H2O H2 4 0.423800 1.0079 0 - 2506 H2O 164 H2O O1 6 -0.847600 15.9994 0 - 2507 H2O 164 H2O H1 4 0.423800 1.0079 0 - 2508 H2O 164 H2O H2 4 0.423800 1.0079 0 - 2509 H2O 165 H2O O1 6 -0.847600 15.9994 0 - 2510 H2O 165 H2O H1 4 0.423800 1.0079 0 - 2511 H2O 165 H2O H2 4 0.423800 1.0079 0 - 2512 H2O 166 H2O O1 6 -0.847600 15.9994 0 - 2513 H2O 166 H2O H1 4 0.423800 1.0079 0 - 2514 H2O 166 H2O H2 4 0.423800 1.0079 0 - 2515 H2O 167 H2O O1 6 -0.847600 15.9994 0 - 2516 H2O 167 H2O H1 4 0.423800 1.0079 0 - 2517 H2O 167 H2O H2 4 0.423800 1.0079 0 - 2518 H2O 168 H2O O1 6 -0.847600 15.9994 0 - 2519 H2O 168 H2O H1 4 0.423800 1.0079 0 - 2520 H2O 168 H2O H2 4 0.423800 1.0079 0 - 2521 H2O 169 H2O O1 6 -0.847600 15.9994 0 - 2522 H2O 169 H2O H1 4 0.423800 1.0079 0 - 2523 H2O 169 H2O H2 4 0.423800 1.0079 0 - 2524 H2O 170 H2O O1 6 -0.847600 15.9994 0 - 2525 H2O 170 H2O H1 4 0.423800 1.0079 0 - 2526 H2O 170 H2O H2 4 0.423800 1.0079 0 - 2527 H2O 171 H2O O1 6 -0.847600 15.9994 0 - 2528 H2O 171 H2O H1 4 0.423800 1.0079 0 - 2529 H2O 171 H2O H2 4 0.423800 1.0079 0 - 2530 H2O 172 H2O O1 6 -0.847600 15.9994 0 - 2531 H2O 172 H2O H1 4 0.423800 1.0079 0 - 2532 H2O 172 H2O H2 4 0.423800 1.0079 0 - 2533 H2O 173 H2O O1 6 -0.847600 15.9994 0 - 2534 H2O 173 H2O H1 4 0.423800 1.0079 0 - 2535 H2O 173 H2O H2 4 0.423800 1.0079 0 - 2536 H2O 174 H2O O1 6 -0.847600 15.9994 0 - 2537 H2O 174 H2O H1 4 0.423800 1.0079 0 - 2538 H2O 174 H2O H2 4 0.423800 1.0079 0 - 2539 H2O 175 H2O O1 6 -0.847600 15.9994 0 - 2540 H2O 175 H2O H1 4 0.423800 1.0079 0 - 2541 H2O 175 H2O H2 4 0.423800 1.0079 0 - 2542 H2O 176 H2O O1 6 -0.847600 15.9994 0 - 2543 H2O 176 H2O H1 4 0.423800 1.0079 0 - 2544 H2O 176 H2O H2 4 0.423800 1.0079 0 - 2545 H2O 177 H2O O1 6 -0.847600 15.9994 0 - 2546 H2O 177 H2O H1 4 0.423800 1.0079 0 - 2547 H2O 177 H2O H2 4 0.423800 1.0079 0 - 2548 H2O 178 H2O O1 6 -0.847600 15.9994 0 - 2549 H2O 178 H2O H1 4 0.423800 1.0079 0 - 2550 H2O 178 H2O H2 4 0.423800 1.0079 0 - 2551 H2O 179 H2O O1 6 -0.847600 15.9994 0 - 2552 H2O 179 H2O H1 4 0.423800 1.0079 0 - 2553 H2O 179 H2O H2 4 0.423800 1.0079 0 - 2554 H2O 180 H2O O1 6 -0.847600 15.9994 0 - 2555 H2O 180 H2O H1 4 0.423800 1.0079 0 - 2556 H2O 180 H2O H2 4 0.423800 1.0079 0 - 2557 H2O 181 H2O O1 6 -0.847600 15.9994 0 - 2558 H2O 181 H2O H1 4 0.423800 1.0079 0 - 2559 H2O 181 H2O H2 4 0.423800 1.0079 0 - 2560 H2O 182 H2O O1 6 -0.847600 15.9994 0 - 2561 H2O 182 H2O H1 4 0.423800 1.0079 0 - 2562 H2O 182 H2O H2 4 0.423800 1.0079 0 - 2563 H2O 183 H2O O1 6 -0.847600 15.9994 0 - 2564 H2O 183 H2O H1 4 0.423800 1.0079 0 - 2565 H2O 183 H2O H2 4 0.423800 1.0079 0 - 2566 H2O 184 H2O O1 6 -0.847600 15.9994 0 - 2567 H2O 184 H2O H1 4 0.423800 1.0079 0 - 2568 H2O 184 H2O H2 4 0.423800 1.0079 0 - 2569 H2O 185 H2O O1 6 -0.847600 15.9994 0 - 2570 H2O 185 H2O H1 4 0.423800 1.0079 0 - 2571 H2O 185 H2O H2 4 0.423800 1.0079 0 - 2572 H2O 186 H2O O1 6 -0.847600 15.9994 0 - 2573 H2O 186 H2O H1 4 0.423800 1.0079 0 - 2574 H2O 186 H2O H2 4 0.423800 1.0079 0 - 2575 H2O 187 H2O O1 6 -0.847600 15.9994 0 - 2576 H2O 187 H2O H1 4 0.423800 1.0079 0 - 2577 H2O 187 H2O H2 4 0.423800 1.0079 0 - 2578 H2O 188 H2O O1 6 -0.847600 15.9994 0 - 2579 H2O 188 H2O H1 4 0.423800 1.0079 0 - 2580 H2O 188 H2O H2 4 0.423800 1.0079 0 - 2581 H2O 189 H2O O1 6 -0.847600 15.9994 0 - 2582 H2O 189 H2O H1 4 0.423800 1.0079 0 - 2583 H2O 189 H2O H2 4 0.423800 1.0079 0 - 2584 H2O 190 H2O O1 6 -0.847600 15.9994 0 - 2585 H2O 190 H2O H1 4 0.423800 1.0079 0 - 2586 H2O 190 H2O H2 4 0.423800 1.0079 0 - 2587 H2O 191 H2O O1 6 -0.847600 15.9994 0 - 2588 H2O 191 H2O H1 4 0.423800 1.0079 0 - 2589 H2O 191 H2O H2 4 0.423800 1.0079 0 - 2590 H2O 192 H2O O1 6 -0.847600 15.9994 0 - 2591 H2O 192 H2O H1 4 0.423800 1.0079 0 - 2592 H2O 192 H2O H2 4 0.423800 1.0079 0 - 2593 H2O 193 H2O O1 6 -0.847600 15.9994 0 - 2594 H2O 193 H2O H1 4 0.423800 1.0079 0 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H1 4 0.423800 1.0079 0 - 2619 H2O 201 H2O H2 4 0.423800 1.0079 0 - 2620 H2O 202 H2O O1 6 -0.847600 15.9994 0 - 2621 H2O 202 H2O H1 4 0.423800 1.0079 0 - 2622 H2O 202 H2O H2 4 0.423800 1.0079 0 - 2623 H2O 203 H2O O1 6 -0.847600 15.9994 0 - 2624 H2O 203 H2O H1 4 0.423800 1.0079 0 - 2625 H2O 203 H2O H2 4 0.423800 1.0079 0 - 2626 H2O 204 H2O O1 6 -0.847600 15.9994 0 - 2627 H2O 204 H2O H1 4 0.423800 1.0079 0 - 2628 H2O 204 H2O H2 4 0.423800 1.0079 0 - 2629 H2O 205 H2O O1 6 -0.847600 15.9994 0 - 2630 H2O 205 H2O H1 4 0.423800 1.0079 0 - 2631 H2O 205 H2O H2 4 0.423800 1.0079 0 - 2632 H2O 206 H2O O1 6 -0.847600 15.9994 0 - 2633 H2O 206 H2O H1 4 0.423800 1.0079 0 - 2634 H2O 206 H2O H2 4 0.423800 1.0079 0 - 2635 H2O 207 H2O O1 6 -0.847600 15.9994 0 - 2636 H2O 207 H2O H1 4 0.423800 1.0079 0 - 2637 H2O 207 H2O H2 4 0.423800 1.0079 0 - 2638 H2O 208 H2O O1 6 -0.847600 15.9994 0 - 2639 H2O 208 H2O H1 4 0.423800 1.0079 0 - 2640 H2O 208 H2O H2 4 0.423800 1.0079 0 - 2641 H2O 209 H2O O1 6 -0.847600 15.9994 0 - 2642 H2O 209 H2O H1 4 0.423800 1.0079 0 - 2643 H2O 209 H2O H2 4 0.423800 1.0079 0 - 2644 H2O 210 H2O O1 6 -0.847600 15.9994 0 - 2645 H2O 210 H2O H1 4 0.423800 1.0079 0 - 2646 H2O 210 H2O H2 4 0.423800 1.0079 0 - 2647 H2O 211 H2O O1 6 -0.847600 15.9994 0 - 2648 H2O 211 H2O H1 4 0.423800 1.0079 0 - 2649 H2O 211 H2O H2 4 0.423800 1.0079 0 - 2650 H2O 212 H2O O1 6 -0.847600 15.9994 0 - 2651 H2O 212 H2O H1 4 0.423800 1.0079 0 - 2652 H2O 212 H2O H2 4 0.423800 1.0079 0 - 2653 H2O 213 H2O O1 6 -0.847600 15.9994 0 - 2654 H2O 213 H2O H1 4 0.423800 1.0079 0 - 2655 H2O 213 H2O H2 4 0.423800 1.0079 0 - 2656 H2O 214 H2O O1 6 -0.847600 15.9994 0 - 2657 H2O 214 H2O H1 4 0.423800 1.0079 0 - 2658 H2O 214 H2O H2 4 0.423800 1.0079 0 - 2659 H2O 215 H2O O1 6 -0.847600 15.9994 0 - 2660 H2O 215 H2O H1 4 0.423800 1.0079 0 - 2661 H2O 215 H2O H2 4 0.423800 1.0079 0 - 2662 H2O 216 H2O O1 6 -0.847600 15.9994 0 - 2663 H2O 216 H2O H1 4 0.423800 1.0079 0 - 2664 H2O 216 H2O H2 4 0.423800 1.0079 0 - 2665 H2O 217 H2O O1 6 -0.847600 15.9994 0 - 2666 H2O 217 H2O H1 4 0.423800 1.0079 0 - 2667 H2O 217 H2O H2 4 0.423800 1.0079 0 - 2668 H2O 218 H2O O1 6 -0.847600 15.9994 0 - 2669 H2O 218 H2O H1 4 0.423800 1.0079 0 - 2670 H2O 218 H2O H2 4 0.423800 1.0079 0 - 2671 H2O 219 H2O O1 6 -0.847600 15.9994 0 - 2672 H2O 219 H2O H1 4 0.423800 1.0079 0 - 2673 H2O 219 H2O H2 4 0.423800 1.0079 0 - 2674 H2O 220 H2O O1 6 -0.847600 15.9994 0 - 2675 H2O 220 H2O H1 4 0.423800 1.0079 0 - 2676 H2O 220 H2O H2 4 0.423800 1.0079 0 - 2677 H2O 221 H2O O1 6 -0.847600 15.9994 0 - 2678 H2O 221 H2O H1 4 0.423800 1.0079 0 - 2679 H2O 221 H2O H2 4 0.423800 1.0079 0 - 2680 H2O 222 H2O O1 6 -0.847600 15.9994 0 - 2681 H2O 222 H2O H1 4 0.423800 1.0079 0 - 2682 H2O 222 H2O H2 4 0.423800 1.0079 0 - 2683 H2O 223 H2O O1 6 -0.847600 15.9994 0 - 2684 H2O 223 H2O H1 4 0.423800 1.0079 0 - 2685 H2O 223 H2O H2 4 0.423800 1.0079 0 - 2686 H2O 224 H2O O1 6 -0.847600 15.9994 0 - 2687 H2O 224 H2O H1 4 0.423800 1.0079 0 - 2688 H2O 224 H2O H2 4 0.423800 1.0079 0 - 2689 H2O 225 H2O O1 6 -0.847600 15.9994 0 - 2690 H2O 225 H2O H1 4 0.423800 1.0079 0 - 2691 H2O 225 H2O H2 4 0.423800 1.0079 0 - 2692 H2O 226 H2O O1 6 -0.847600 15.9994 0 - 2693 H2O 226 H2O H1 4 0.423800 1.0079 0 - 2694 H2O 226 H2O H2 4 0.423800 1.0079 0 - 2695 H2O 227 H2O O1 6 -0.847600 15.9994 0 - 2696 H2O 227 H2O H1 4 0.423800 1.0079 0 - 2697 H2O 227 H2O H2 4 0.423800 1.0079 0 - 2698 H2O 228 H2O O1 6 -0.847600 15.9994 0 - 2699 H2O 228 H2O H1 4 0.423800 1.0079 0 - 2700 H2O 228 H2O H2 4 0.423800 1.0079 0 - 2701 H2O 229 H2O O1 6 -0.847600 15.9994 0 - 2702 H2O 229 H2O H1 4 0.423800 1.0079 0 - 2703 H2O 229 H2O H2 4 0.423800 1.0079 0 - 2704 H2O 230 H2O O1 6 -0.847600 15.9994 0 - 2705 H2O 230 H2O H1 4 0.423800 1.0079 0 - 2706 H2O 230 H2O H2 4 0.423800 1.0079 0 - 2707 H2O 231 H2O O1 6 -0.847600 15.9994 0 - 2708 H2O 231 H2O H1 4 0.423800 1.0079 0 - 2709 H2O 231 H2O H2 4 0.423800 1.0079 0 - 2710 H2O 232 H2O O1 6 -0.847600 15.9994 0 - 2711 H2O 232 H2O H1 4 0.423800 1.0079 0 - 2712 H2O 232 H2O H2 4 0.423800 1.0079 0 - 2713 H2O 233 H2O O1 6 -0.847600 15.9994 0 - 2714 H2O 233 H2O H1 4 0.423800 1.0079 0 - 2715 H2O 233 H2O H2 4 0.423800 1.0079 0 - 2716 H2O 234 H2O O1 6 -0.847600 15.9994 0 - 2717 H2O 234 H2O H1 4 0.423800 1.0079 0 - 2718 H2O 234 H2O H2 4 0.423800 1.0079 0 - 2719 H2O 235 H2O O1 6 -0.847600 15.9994 0 - 2720 H2O 235 H2O H1 4 0.423800 1.0079 0 - 2721 H2O 235 H2O H2 4 0.423800 1.0079 0 - 2722 H2O 236 H2O O1 6 -0.847600 15.9994 0 - 2723 H2O 236 H2O H1 4 0.423800 1.0079 0 - 2724 H2O 236 H2O H2 4 0.423800 1.0079 0 - 2725 H2O 237 H2O O1 6 -0.847600 15.9994 0 - 2726 H2O 237 H2O H1 4 0.423800 1.0079 0 - 2727 H2O 237 H2O H2 4 0.423800 1.0079 0 - 2728 H2O 238 H2O O1 6 -0.847600 15.9994 0 - 2729 H2O 238 H2O H1 4 0.423800 1.0079 0 - 2730 H2O 238 H2O H2 4 0.423800 1.0079 0 - 2731 H2O 239 H2O O1 6 -0.847600 15.9994 0 - 2732 H2O 239 H2O H1 4 0.423800 1.0079 0 - 2733 H2O 239 H2O H2 4 0.423800 1.0079 0 - 2734 H2O 240 H2O O1 6 -0.847600 15.9994 0 - 2735 H2O 240 H2O H1 4 0.423800 1.0079 0 - 2736 H2O 240 H2O H2 4 0.423800 1.0079 0 - 2737 H2O 241 H2O O1 6 -0.847600 15.9994 0 - 2738 H2O 241 H2O H1 4 0.423800 1.0079 0 - 2739 H2O 241 H2O H2 4 0.423800 1.0079 0 - 2740 H2O 242 H2O O1 6 -0.847600 15.9994 0 - 2741 H2O 242 H2O H1 4 0.423800 1.0079 0 - 2742 H2O 242 H2O H2 4 0.423800 1.0079 0 - 2743 H2O 243 H2O O1 6 -0.847600 15.9994 0 - 2744 H2O 243 H2O H1 4 0.423800 1.0079 0 - 2745 H2O 243 H2O H2 4 0.423800 1.0079 0 - 2746 H2O 244 H2O O1 6 -0.847600 15.9994 0 - 2747 H2O 244 H2O H1 4 0.423800 1.0079 0 - 2748 H2O 244 H2O H2 4 0.423800 1.0079 0 - 2749 H2O 245 H2O O1 6 -0.847600 15.9994 0 - 2750 H2O 245 H2O H1 4 0.423800 1.0079 0 - 2751 H2O 245 H2O H2 4 0.423800 1.0079 0 - 2752 H2O 246 H2O O1 6 -0.847600 15.9994 0 - 2753 H2O 246 H2O H1 4 0.423800 1.0079 0 - 2754 H2O 246 H2O H2 4 0.423800 1.0079 0 - 2755 H2O 247 H2O O1 6 -0.847600 15.9994 0 - 2756 H2O 247 H2O H1 4 0.423800 1.0079 0 - 2757 H2O 247 H2O H2 4 0.423800 1.0079 0 - 2758 H2O 248 H2O O1 6 -0.847600 15.9994 0 - 2759 H2O 248 H2O H1 4 0.423800 1.0079 0 - 2760 H2O 248 H2O H2 4 0.423800 1.0079 0 - 2761 H2O 249 H2O O1 6 -0.847600 15.9994 0 - 2762 H2O 249 H2O H1 4 0.423800 1.0079 0 - 2763 H2O 249 H2O H2 4 0.423800 1.0079 0 - 2764 H2O 250 H2O O1 6 -0.847600 15.9994 0 - 2765 H2O 250 H2O H1 4 0.423800 1.0079 0 - 2766 H2O 250 H2O H2 4 0.423800 1.0079 0 - 2767 H2O 251 H2O O1 6 -0.847600 15.9994 0 - 2768 H2O 251 H2O H1 4 0.423800 1.0079 0 - 2769 H2O 251 H2O H2 4 0.423800 1.0079 0 - 2770 H2O 252 H2O O1 6 -0.847600 15.9994 0 - 2771 H2O 252 H2O H1 4 0.423800 1.0079 0 - 2772 H2O 252 H2O H2 4 0.423800 1.0079 0 - 2773 H2O 253 H2O O1 6 -0.847600 15.9994 0 - 2774 H2O 253 H2O H1 4 0.423800 1.0079 0 - 2775 H2O 253 H2O H2 4 0.423800 1.0079 0 - 2776 H2O 254 H2O O1 6 -0.847600 15.9994 0 - 2777 H2O 254 H2O H1 4 0.423800 1.0079 0 - 2778 H2O 254 H2O H2 4 0.423800 1.0079 0 - 2779 H2O 255 H2O O1 6 -0.847600 15.9994 0 - 2780 H2O 255 H2O H1 4 0.423800 1.0079 0 - 2781 H2O 255 H2O H2 4 0.423800 1.0079 0 - 2782 H2O 256 H2O O1 6 -0.847600 15.9994 0 - 2783 H2O 256 H2O H1 4 0.423800 1.0079 0 - 2784 H2O 256 H2O H2 4 0.423800 1.0079 0 - 2785 H2O 257 H2O O1 6 -0.847600 15.9994 0 - 2786 H2O 257 H2O H1 4 0.423800 1.0079 0 - 2787 H2O 257 H2O H2 4 0.423800 1.0079 0 - 2788 H2O 258 H2O O1 6 -0.847600 15.9994 0 - 2789 H2O 258 H2O H1 4 0.423800 1.0079 0 - 2790 H2O 258 H2O H2 4 0.423800 1.0079 0 - 2791 H2O 259 H2O O1 6 -0.847600 15.9994 0 - 2792 H2O 259 H2O H1 4 0.423800 1.0079 0 - 2793 H2O 259 H2O H2 4 0.423800 1.0079 0 - 2794 H2O 260 H2O O1 6 -0.847600 15.9994 0 - 2795 H2O 260 H2O H1 4 0.423800 1.0079 0 - 2796 H2O 260 H2O H2 4 0.423800 1.0079 0 - 2797 H2O 261 H2O O1 6 -0.847600 15.9994 0 - 2798 H2O 261 H2O H1 4 0.423800 1.0079 0 - 2799 H2O 261 H2O H2 4 0.423800 1.0079 0 - 2800 H2O 262 H2O O1 6 -0.847600 15.9994 0 - 2801 H2O 262 H2O H1 4 0.423800 1.0079 0 - 2802 H2O 262 H2O H2 4 0.423800 1.0079 0 - 2803 H2O 263 H2O O1 6 -0.847600 15.9994 0 - 2804 H2O 263 H2O H1 4 0.423800 1.0079 0 - 2805 H2O 263 H2O H2 4 0.423800 1.0079 0 - 2806 H2O 264 H2O O1 6 -0.847600 15.9994 0 - 2807 H2O 264 H2O H1 4 0.423800 1.0079 0 - 2808 H2O 264 H2O H2 4 0.423800 1.0079 0 - 2809 H2O 265 H2O O1 6 -0.847600 15.9994 0 - 2810 H2O 265 H2O H1 4 0.423800 1.0079 0 - 2811 H2O 265 H2O H2 4 0.423800 1.0079 0 - 2812 H2O 266 H2O O1 6 -0.847600 15.9994 0 - 2813 H2O 266 H2O H1 4 0.423800 1.0079 0 - 2814 H2O 266 H2O H2 4 0.423800 1.0079 0 - 2815 H2O 267 H2O O1 6 -0.847600 15.9994 0 - 2816 H2O 267 H2O H1 4 0.423800 1.0079 0 - 2817 H2O 267 H2O H2 4 0.423800 1.0079 0 - 2818 H2O 268 H2O O1 6 -0.847600 15.9994 0 - 2819 H2O 268 H2O H1 4 0.423800 1.0079 0 - 2820 H2O 268 H2O H2 4 0.423800 1.0079 0 - 2821 H2O 269 H2O O1 6 -0.847600 15.9994 0 - 2822 H2O 269 H2O H1 4 0.423800 1.0079 0 - 2823 H2O 269 H2O H2 4 0.423800 1.0079 0 - 2824 H2O 270 H2O O1 6 -0.847600 15.9994 0 - 2825 H2O 270 H2O H1 4 0.423800 1.0079 0 - 2826 H2O 270 H2O H2 4 0.423800 1.0079 0 - 2827 H2O 271 H2O O1 6 -0.847600 15.9994 0 - 2828 H2O 271 H2O H1 4 0.423800 1.0079 0 - 2829 H2O 271 H2O H2 4 0.423800 1.0079 0 - 2830 H2O 272 H2O O1 6 -0.847600 15.9994 0 - 2831 H2O 272 H2O H1 4 0.423800 1.0079 0 - 2832 H2O 272 H2O H2 4 0.423800 1.0079 0 - 2833 H2O 273 H2O O1 6 -0.847600 15.9994 0 - 2834 H2O 273 H2O H1 4 0.423800 1.0079 0 - 2835 H2O 273 H2O H2 4 0.423800 1.0079 0 - 2836 H2O 274 H2O O1 6 -0.847600 15.9994 0 - 2837 H2O 274 H2O H1 4 0.423800 1.0079 0 - 2838 H2O 274 H2O H2 4 0.423800 1.0079 0 - 2839 H2O 275 H2O O1 6 -0.847600 15.9994 0 - 2840 H2O 275 H2O H1 4 0.423800 1.0079 0 - 2841 H2O 275 H2O H2 4 0.423800 1.0079 0 - 2842 H2O 276 H2O O1 6 -0.847600 15.9994 0 - 2843 H2O 276 H2O H1 4 0.423800 1.0079 0 - 2844 H2O 276 H2O H2 4 0.423800 1.0079 0 - 2845 H2O 277 H2O O1 6 -0.847600 15.9994 0 - 2846 H2O 277 H2O H1 4 0.423800 1.0079 0 - 2847 H2O 277 H2O H2 4 0.423800 1.0079 0 - 2848 H2O 278 H2O O1 6 -0.847600 15.9994 0 - 2849 H2O 278 H2O H1 4 0.423800 1.0079 0 - 2850 H2O 278 H2O H2 4 0.423800 1.0079 0 - 2851 H2O 279 H2O O1 6 -0.847600 15.9994 0 - 2852 H2O 279 H2O H1 4 0.423800 1.0079 0 - 2853 H2O 279 H2O H2 4 0.423800 1.0079 0 - 2854 H2O 280 H2O O1 6 -0.847600 15.9994 0 - 2855 H2O 280 H2O H1 4 0.423800 1.0079 0 - 2856 H2O 280 H2O H2 4 0.423800 1.0079 0 - 2857 H2O 281 H2O O1 6 -0.847600 15.9994 0 - 2858 H2O 281 H2O H1 4 0.423800 1.0079 0 - 2859 H2O 281 H2O H2 4 0.423800 1.0079 0 - 2860 H2O 282 H2O O1 6 -0.847600 15.9994 0 - 2861 H2O 282 H2O H1 4 0.423800 1.0079 0 - 2862 H2O 282 H2O H2 4 0.423800 1.0079 0 - 2863 H2O 283 H2O O1 6 -0.847600 15.9994 0 - 2864 H2O 283 H2O H1 4 0.423800 1.0079 0 - 2865 H2O 283 H2O H2 4 0.423800 1.0079 0 - 2866 H2O 284 H2O O1 6 -0.847600 15.9994 0 - 2867 H2O 284 H2O H1 4 0.423800 1.0079 0 - 2868 H2O 284 H2O H2 4 0.423800 1.0079 0 - 2869 H2O 285 H2O O1 6 -0.847600 15.9994 0 - 2870 H2O 285 H2O H1 4 0.423800 1.0079 0 - 2871 H2O 285 H2O H2 4 0.423800 1.0079 0 - 2872 H2O 286 H2O O1 6 -0.847600 15.9994 0 - 2873 H2O 286 H2O H1 4 0.423800 1.0079 0 - 2874 H2O 286 H2O H2 4 0.423800 1.0079 0 - 2875 H2O 287 H2O O1 6 -0.847600 15.9994 0 - 2876 H2O 287 H2O H1 4 0.423800 1.0079 0 - 2877 H2O 287 H2O H2 4 0.423800 1.0079 0 - 2878 H2O 288 H2O O1 6 -0.847600 15.9994 0 - 2879 H2O 288 H2O H1 4 0.423800 1.0079 0 - 2880 H2O 288 H2O H2 4 0.423800 1.0079 0 - 2881 H2O 289 H2O O1 6 -0.847600 15.9994 0 - 2882 H2O 289 H2O H1 4 0.423800 1.0079 0 - 2883 H2O 289 H2O H2 4 0.423800 1.0079 0 - 2884 H2O 290 H2O O1 6 -0.847600 15.9994 0 - 2885 H2O 290 H2O H1 4 0.423800 1.0079 0 - 2886 H2O 290 H2O H2 4 0.423800 1.0079 0 - 2887 H2O 291 H2O O1 6 -0.847600 15.9994 0 - 2888 H2O 291 H2O H1 4 0.423800 1.0079 0 - 2889 H2O 291 H2O H2 4 0.423800 1.0079 0 - 2890 H2O 292 H2O O1 6 -0.847600 15.9994 0 - 2891 H2O 292 H2O H1 4 0.423800 1.0079 0 - 2892 H2O 292 H2O H2 4 0.423800 1.0079 0 - 2893 H2O 293 H2O O1 6 -0.847600 15.9994 0 - 2894 H2O 293 H2O H1 4 0.423800 1.0079 0 - 2895 H2O 293 H2O H2 4 0.423800 1.0079 0 - 2896 H2O 294 H2O O1 6 -0.847600 15.9994 0 - 2897 H2O 294 H2O H1 4 0.423800 1.0079 0 - 2898 H2O 294 H2O H2 4 0.423800 1.0079 0 - 2899 H2O 295 H2O O1 6 -0.847600 15.9994 0 - 2900 H2O 295 H2O H1 4 0.423800 1.0079 0 - 2901 H2O 295 H2O H2 4 0.423800 1.0079 0 - 2902 H2O 296 H2O O1 6 -0.847600 15.9994 0 - 2903 H2O 296 H2O H1 4 0.423800 1.0079 0 - 2904 H2O 296 H2O H2 4 0.423800 1.0079 0 - 2905 H2O 297 H2O O1 6 -0.847600 15.9994 0 - 2906 H2O 297 H2O H1 4 0.423800 1.0079 0 - 2907 H2O 297 H2O H2 4 0.423800 1.0079 0 - 2908 H2O 298 H2O O1 6 -0.847600 15.9994 0 - 2909 H2O 298 H2O H1 4 0.423800 1.0079 0 - 2910 H2O 298 H2O H2 4 0.423800 1.0079 0 - 2911 H2O 299 H2O O1 6 -0.847600 15.9994 0 - 2912 H2O 299 H2O H1 4 0.423800 1.0079 0 - 2913 H2O 299 H2O H2 4 0.423800 1.0079 0 - 2914 H2O 300 H2O O1 6 -0.847600 15.9994 0 - 2915 H2O 300 H2O H1 4 0.423800 1.0079 0 - 2916 H2O 300 H2O H2 4 0.423800 1.0079 0 - 2917 H2O 301 H2O O1 6 -0.847600 15.9994 0 - 2918 H2O 301 H2O H1 4 0.423800 1.0079 0 - 2919 H2O 301 H2O H2 4 0.423800 1.0079 0 - 2920 H2O 302 H2O O1 6 -0.847600 15.9994 0 - 2921 H2O 302 H2O H1 4 0.423800 1.0079 0 - 2922 H2O 302 H2O H2 4 0.423800 1.0079 0 - 2923 H2O 303 H2O O1 6 -0.847600 15.9994 0 - 2924 H2O 303 H2O H1 4 0.423800 1.0079 0 - 2925 H2O 303 H2O H2 4 0.423800 1.0079 0 - 2926 H2O 304 H2O O1 6 -0.847600 15.9994 0 - 2927 H2O 304 H2O H1 4 0.423800 1.0079 0 - 2928 H2O 304 H2O H2 4 0.423800 1.0079 0 - 2929 H2O 305 H2O O1 6 -0.847600 15.9994 0 - 2930 H2O 305 H2O H1 4 0.423800 1.0079 0 - 2931 H2O 305 H2O H2 4 0.423800 1.0079 0 - 2932 H2O 306 H2O O1 6 -0.847600 15.9994 0 - 2933 H2O 306 H2O H1 4 0.423800 1.0079 0 - 2934 H2O 306 H2O H2 4 0.423800 1.0079 0 - 2935 H2O 307 H2O O1 6 -0.847600 15.9994 0 - 2936 H2O 307 H2O H1 4 0.423800 1.0079 0 - 2937 H2O 307 H2O H2 4 0.423800 1.0079 0 - 2938 H2O 308 H2O O1 6 -0.847600 15.9994 0 - 2939 H2O 308 H2O H1 4 0.423800 1.0079 0 - 2940 H2O 308 H2O H2 4 0.423800 1.0079 0 - 2941 H2O 309 H2O O1 6 -0.847600 15.9994 0 - 2942 H2O 309 H2O H1 4 0.423800 1.0079 0 - 2943 H2O 309 H2O H2 4 0.423800 1.0079 0 - 2944 H2O 310 H2O O1 6 -0.847600 15.9994 0 - 2945 H2O 310 H2O H1 4 0.423800 1.0079 0 - 2946 H2O 310 H2O H2 4 0.423800 1.0079 0 - 2947 H2O 311 H2O O1 6 -0.847600 15.9994 0 - 2948 H2O 311 H2O H1 4 0.423800 1.0079 0 - 2949 H2O 311 H2O H2 4 0.423800 1.0079 0 - 2950 H2O 312 H2O O1 6 -0.847600 15.9994 0 - 2951 H2O 312 H2O H1 4 0.423800 1.0079 0 - 2952 H2O 312 H2O H2 4 0.423800 1.0079 0 - 2953 H2O 313 H2O O1 6 -0.847600 15.9994 0 - 2954 H2O 313 H2O H1 4 0.423800 1.0079 0 - 2955 H2O 313 H2O H2 4 0.423800 1.0079 0 - 2956 H2O 314 H2O O1 6 -0.847600 15.9994 0 - 2957 H2O 314 H2O H1 4 0.423800 1.0079 0 - 2958 H2O 314 H2O H2 4 0.423800 1.0079 0 - 2959 H2O 315 H2O O1 6 -0.847600 15.9994 0 - 2960 H2O 315 H2O H1 4 0.423800 1.0079 0 - 2961 H2O 315 H2O H2 4 0.423800 1.0079 0 - 2962 H2O 316 H2O O1 6 -0.847600 15.9994 0 - 2963 H2O 316 H2O H1 4 0.423800 1.0079 0 - 2964 H2O 316 H2O H2 4 0.423800 1.0079 0 - 2965 H2O 317 H2O O1 6 -0.847600 15.9994 0 - 2966 H2O 317 H2O H1 4 0.423800 1.0079 0 - 2967 H2O 317 H2O H2 4 0.423800 1.0079 0 - 2968 H2O 318 H2O O1 6 -0.847600 15.9994 0 - 2969 H2O 318 H2O H1 4 0.423800 1.0079 0 - 2970 H2O 318 H2O H2 4 0.423800 1.0079 0 - 2971 H2O 319 H2O O1 6 -0.847600 15.9994 0 - 2972 H2O 319 H2O H1 4 0.423800 1.0079 0 - 2973 H2O 319 H2O H2 4 0.423800 1.0079 0 - 2974 H2O 320 H2O O1 6 -0.847600 15.9994 0 - 2975 H2O 320 H2O H1 4 0.423800 1.0079 0 - 2976 H2O 320 H2O H2 4 0.423800 1.0079 0 - 2977 H2O 321 H2O O1 6 -0.847600 15.9994 0 - 2978 H2O 321 H2O H1 4 0.423800 1.0079 0 - 2979 H2O 321 H2O H2 4 0.423800 1.0079 0 - 2980 H2O 322 H2O O1 6 -0.847600 15.9994 0 - 2981 H2O 322 H2O H1 4 0.423800 1.0079 0 - 2982 H2O 322 H2O H2 4 0.423800 1.0079 0 - 2983 H2O 323 H2O O1 6 -0.847600 15.9994 0 - 2984 H2O 323 H2O H1 4 0.423800 1.0079 0 - 2985 H2O 323 H2O H2 4 0.423800 1.0079 0 - 2986 H2O 324 H2O O1 6 -0.847600 15.9994 0 - 2987 H2O 324 H2O H1 4 0.423800 1.0079 0 - 2988 H2O 324 H2O H2 4 0.423800 1.0079 0 - 2989 H2O 325 H2O O1 6 -0.847600 15.9994 0 - 2990 H2O 325 H2O H1 4 0.423800 1.0079 0 - 2991 H2O 325 H2O H2 4 0.423800 1.0079 0 - 2992 H2O 326 H2O O1 6 -0.847600 15.9994 0 - 2993 H2O 326 H2O H1 4 0.423800 1.0079 0 - 2994 H2O 326 H2O H2 4 0.423800 1.0079 0 - 2995 H2O 327 H2O O1 6 -0.847600 15.9994 0 - 2996 H2O 327 H2O H1 4 0.423800 1.0079 0 - 2997 H2O 327 H2O H2 4 0.423800 1.0079 0 - 2998 H2O 328 H2O O1 6 -0.847600 15.9994 0 - 2999 H2O 328 H2O H1 4 0.423800 1.0079 0 - 3000 H2O 328 H2O H2 4 0.423800 1.0079 0 - 3001 H2O 329 H2O O1 6 -0.847600 15.9994 0 - 3002 H2O 329 H2O H1 4 0.423800 1.0079 0 - 3003 H2O 329 H2O H2 4 0.423800 1.0079 0 - 3004 H2O 330 H2O O1 6 -0.847600 15.9994 0 - 3005 H2O 330 H2O H1 4 0.423800 1.0079 0 - 3006 H2O 330 H2O H2 4 0.423800 1.0079 0 - 3007 H2O 331 H2O O1 6 -0.847600 15.9994 0 - 3008 H2O 331 H2O H1 4 0.423800 1.0079 0 - 3009 H2O 331 H2O H2 4 0.423800 1.0079 0 - 3010 H2O 332 H2O O1 6 -0.847600 15.9994 0 - 3011 H2O 332 H2O H1 4 0.423800 1.0079 0 - 3012 H2O 332 H2O H2 4 0.423800 1.0079 0 - 3013 H2O 333 H2O O1 6 -0.847600 15.9994 0 - 3014 H2O 333 H2O H1 4 0.423800 1.0079 0 - 3015 H2O 333 H2O H2 4 0.423800 1.0079 0 - 3016 H2O 334 H2O O1 6 -0.847600 15.9994 0 - 3017 H2O 334 H2O H1 4 0.423800 1.0079 0 - 3018 H2O 334 H2O H2 4 0.423800 1.0079 0 - 3019 H2O 335 H2O O1 6 -0.847600 15.9994 0 - 3020 H2O 335 H2O H1 4 0.423800 1.0079 0 - 3021 H2O 335 H2O H2 4 0.423800 1.0079 0 - 3022 H2O 336 H2O O1 6 -0.847600 15.9994 0 - 3023 H2O 336 H2O H1 4 0.423800 1.0079 0 - 3024 H2O 336 H2O H2 4 0.423800 1.0079 0 - 3025 H2O 337 H2O O1 6 -0.847600 15.9994 0 - 3026 H2O 337 H2O H1 4 0.423800 1.0079 0 - 3027 H2O 337 H2O H2 4 0.423800 1.0079 0 - 3028 H2O 338 H2O O1 6 -0.847600 15.9994 0 - 3029 H2O 338 H2O H1 4 0.423800 1.0079 0 - 3030 H2O 338 H2O H2 4 0.423800 1.0079 0 - 3031 H2O 339 H2O O1 6 -0.847600 15.9994 0 - 3032 H2O 339 H2O H1 4 0.423800 1.0079 0 - 3033 H2O 339 H2O H2 4 0.423800 1.0079 0 - 3034 H2O 340 H2O O1 6 -0.847600 15.9994 0 - 3035 H2O 340 H2O H1 4 0.423800 1.0079 0 - 3036 H2O 340 H2O H2 4 0.423800 1.0079 0 - 3037 H2O 341 H2O O1 6 -0.847600 15.9994 0 - 3038 H2O 341 H2O H1 4 0.423800 1.0079 0 - 3039 H2O 341 H2O H2 4 0.423800 1.0079 0 - 3040 H2O 342 H2O O1 6 -0.847600 15.9994 0 - 3041 H2O 342 H2O H1 4 0.423800 1.0079 0 - 3042 H2O 342 H2O H2 4 0.423800 1.0079 0 - 3043 H2O 343 H2O O1 6 -0.847600 15.9994 0 - 3044 H2O 343 H2O H1 4 0.423800 1.0079 0 - 3045 H2O 343 H2O H2 4 0.423800 1.0079 0 - 3046 H2O 344 H2O O1 6 -0.847600 15.9994 0 - 3047 H2O 344 H2O H1 4 0.423800 1.0079 0 - 3048 H2O 344 H2O H2 4 0.423800 1.0079 0 - 3049 H2O 345 H2O O1 6 -0.847600 15.9994 0 - 3050 H2O 345 H2O H1 4 0.423800 1.0079 0 - 3051 H2O 345 H2O H2 4 0.423800 1.0079 0 - 3052 H2O 346 H2O O1 6 -0.847600 15.9994 0 - 3053 H2O 346 H2O H1 4 0.423800 1.0079 0 - 3054 H2O 346 H2O H2 4 0.423800 1.0079 0 - 3055 H2O 347 H2O O1 6 -0.847600 15.9994 0 - 3056 H2O 347 H2O H1 4 0.423800 1.0079 0 - 3057 H2O 347 H2O H2 4 0.423800 1.0079 0 - 3058 H2O 348 H2O O1 6 -0.847600 15.9994 0 - 3059 H2O 348 H2O H1 4 0.423800 1.0079 0 - 3060 H2O 348 H2O H2 4 0.423800 1.0079 0 - 3061 H2O 349 H2O O1 6 -0.847600 15.9994 0 - 3062 H2O 349 H2O H1 4 0.423800 1.0079 0 - 3063 H2O 349 H2O H2 4 0.423800 1.0079 0 - 3064 H2O 350 H2O O1 6 -0.847600 15.9994 0 - 3065 H2O 350 H2O H1 4 0.423800 1.0079 0 - 3066 H2O 350 H2O H2 4 0.423800 1.0079 0 - 3067 H2O 351 H2O O1 6 -0.847600 15.9994 0 - 3068 H2O 351 H2O H1 4 0.423800 1.0079 0 - 3069 H2O 351 H2O H2 4 0.423800 1.0079 0 - 3070 H2O 352 H2O O1 6 -0.847600 15.9994 0 - 3071 H2O 352 H2O H1 4 0.423800 1.0079 0 - 3072 H2O 352 H2O H2 4 0.423800 1.0079 0 - 3073 H2O 353 H2O O1 6 -0.847600 15.9994 0 - 3074 H2O 353 H2O H1 4 0.423800 1.0079 0 - 3075 H2O 353 H2O H2 4 0.423800 1.0079 0 - 3076 H2O 354 H2O O1 6 -0.847600 15.9994 0 - 3077 H2O 354 H2O H1 4 0.423800 1.0079 0 - 3078 H2O 354 H2O H2 4 0.423800 1.0079 0 - 3079 H2O 355 H2O O1 6 -0.847600 15.9994 0 - 3080 H2O 355 H2O H1 4 0.423800 1.0079 0 - 3081 H2O 355 H2O H2 4 0.423800 1.0079 0 - 3082 H2O 356 H2O O1 6 -0.847600 15.9994 0 - 3083 H2O 356 H2O H1 4 0.423800 1.0079 0 - 3084 H2O 356 H2O H2 4 0.423800 1.0079 0 - 3085 H2O 357 H2O O1 6 -0.847600 15.9994 0 - 3086 H2O 357 H2O H1 4 0.423800 1.0079 0 - 3087 H2O 357 H2O H2 4 0.423800 1.0079 0 - 3088 H2O 358 H2O O1 6 -0.847600 15.9994 0 - 3089 H2O 358 H2O H1 4 0.423800 1.0079 0 - 3090 H2O 358 H2O H2 4 0.423800 1.0079 0 - 3091 H2O 359 H2O O1 6 -0.847600 15.9994 0 - 3092 H2O 359 H2O H1 4 0.423800 1.0079 0 - 3093 H2O 359 H2O H2 4 0.423800 1.0079 0 - 3094 H2O 360 H2O O1 6 -0.847600 15.9994 0 - 3095 H2O 360 H2O H1 4 0.423800 1.0079 0 - 3096 H2O 360 H2O H2 4 0.423800 1.0079 0 - 3097 H2O 361 H2O O1 6 -0.847600 15.9994 0 - 3098 H2O 361 H2O H1 4 0.423800 1.0079 0 - 3099 H2O 361 H2O H2 4 0.423800 1.0079 0 - 3100 H2O 362 H2O O1 6 -0.847600 15.9994 0 - 3101 H2O 362 H2O H1 4 0.423800 1.0079 0 - 3102 H2O 362 H2O H2 4 0.423800 1.0079 0 - 3103 H2O 363 H2O O1 6 -0.847600 15.9994 0 - 3104 H2O 363 H2O H1 4 0.423800 1.0079 0 - 3105 H2O 363 H2O H2 4 0.423800 1.0079 0 - 3106 H2O 364 H2O O1 6 -0.847600 15.9994 0 - 3107 H2O 364 H2O H1 4 0.423800 1.0079 0 - 3108 H2O 364 H2O H2 4 0.423800 1.0079 0 - 3109 H2O 365 H2O O1 6 -0.847600 15.9994 0 - 3110 H2O 365 H2O H1 4 0.423800 1.0079 0 - 3111 H2O 365 H2O H2 4 0.423800 1.0079 0 - 3112 H2O 366 H2O O1 6 -0.847600 15.9994 0 - 3113 H2O 366 H2O H1 4 0.423800 1.0079 0 - 3114 H2O 366 H2O H2 4 0.423800 1.0079 0 - 3115 H2O 367 H2O O1 6 -0.847600 15.9994 0 - 3116 H2O 367 H2O H1 4 0.423800 1.0079 0 - 3117 H2O 367 H2O H2 4 0.423800 1.0079 0 - 3118 H2O 368 H2O O1 6 -0.847600 15.9994 0 - 3119 H2O 368 H2O H1 4 0.423800 1.0079 0 - 3120 H2O 368 H2O H2 4 0.423800 1.0079 0 - 3121 H2O 369 H2O O1 6 -0.847600 15.9994 0 - 3122 H2O 369 H2O H1 4 0.423800 1.0079 0 - 3123 H2O 369 H2O H2 4 0.423800 1.0079 0 - 3124 H2O 370 H2O O1 6 -0.847600 15.9994 0 - 3125 H2O 370 H2O H1 4 0.423800 1.0079 0 - 3126 H2O 370 H2O H2 4 0.423800 1.0079 0 - 3127 H2O 371 H2O O1 6 -0.847600 15.9994 0 - 3128 H2O 371 H2O H1 4 0.423800 1.0079 0 - 3129 H2O 371 H2O H2 4 0.423800 1.0079 0 - 3130 H2O 372 H2O O1 6 -0.847600 15.9994 0 - 3131 H2O 372 H2O H1 4 0.423800 1.0079 0 - 3132 H2O 372 H2O H2 4 0.423800 1.0079 0 - 3133 H2O 373 H2O O1 6 -0.847600 15.9994 0 - 3134 H2O 373 H2O H1 4 0.423800 1.0079 0 - 3135 H2O 373 H2O H2 4 0.423800 1.0079 0 - 3136 H2O 374 H2O O1 6 -0.847600 15.9994 0 - 3137 H2O 374 H2O H1 4 0.423800 1.0079 0 - 3138 H2O 374 H2O H2 4 0.423800 1.0079 0 - 3139 H2O 375 H2O O1 6 -0.847600 15.9994 0 - 3140 H2O 375 H2O H1 4 0.423800 1.0079 0 - 3141 H2O 375 H2O H2 4 0.423800 1.0079 0 - 3142 H2O 376 H2O O1 6 -0.847600 15.9994 0 - 3143 H2O 376 H2O H1 4 0.423800 1.0079 0 - 3144 H2O 376 H2O H2 4 0.423800 1.0079 0 - 3145 H2O 377 H2O O1 6 -0.847600 15.9994 0 - 3146 H2O 377 H2O H1 4 0.423800 1.0079 0 - 3147 H2O 377 H2O H2 4 0.423800 1.0079 0 - 3148 H2O 378 H2O O1 6 -0.847600 15.9994 0 - 3149 H2O 378 H2O H1 4 0.423800 1.0079 0 - 3150 H2O 378 H2O H2 4 0.423800 1.0079 0 - 3151 H2O 379 H2O O1 6 -0.847600 15.9994 0 - 3152 H2O 379 H2O H1 4 0.423800 1.0079 0 - 3153 H2O 379 H2O H2 4 0.423800 1.0079 0 - 3154 H2O 380 H2O O1 6 -0.847600 15.9994 0 - 3155 H2O 380 H2O H1 4 0.423800 1.0079 0 - 3156 H2O 380 H2O H2 4 0.423800 1.0079 0 - 3157 H2O 381 H2O O1 6 -0.847600 15.9994 0 - 3158 H2O 381 H2O H1 4 0.423800 1.0079 0 - 3159 H2O 381 H2O H2 4 0.423800 1.0079 0 - 3160 H2O 382 H2O O1 6 -0.847600 15.9994 0 - 3161 H2O 382 H2O H1 4 0.423800 1.0079 0 - 3162 H2O 382 H2O H2 4 0.423800 1.0079 0 - 3163 H2O 383 H2O O1 6 -0.847600 15.9994 0 - 3164 H2O 383 H2O H1 4 0.423800 1.0079 0 - 3165 H2O 383 H2O H2 4 0.423800 1.0079 0 - 3166 H2O 384 H2O O1 6 -0.847600 15.9994 0 - 3167 H2O 384 H2O H1 4 0.423800 1.0079 0 - 3168 H2O 384 H2O H2 4 0.423800 1.0079 0 - 3169 H2O 385 H2O O1 6 -0.847600 15.9994 0 - 3170 H2O 385 H2O H1 4 0.423800 1.0079 0 - 3171 H2O 385 H2O H2 4 0.423800 1.0079 0 - 3172 H2O 386 H2O O1 6 -0.847600 15.9994 0 - 3173 H2O 386 H2O H1 4 0.423800 1.0079 0 - 3174 H2O 386 H2O H2 4 0.423800 1.0079 0 - 3175 H2O 387 H2O O1 6 -0.847600 15.9994 0 - 3176 H2O 387 H2O H1 4 0.423800 1.0079 0 - 3177 H2O 387 H2O H2 4 0.423800 1.0079 0 - 3178 H2O 388 H2O O1 6 -0.847600 15.9994 0 - 3179 H2O 388 H2O H1 4 0.423800 1.0079 0 - 3180 H2O 388 H2O H2 4 0.423800 1.0079 0 - 3181 H2O 389 H2O O1 6 -0.847600 15.9994 0 - 3182 H2O 389 H2O H1 4 0.423800 1.0079 0 - 3183 H2O 389 H2O H2 4 0.423800 1.0079 0 - 3184 H2O 390 H2O O1 6 -0.847600 15.9994 0 - 3185 H2O 390 H2O H1 4 0.423800 1.0079 0 - 3186 H2O 390 H2O H2 4 0.423800 1.0079 0 - 3187 H2O 391 H2O O1 6 -0.847600 15.9994 0 - 3188 H2O 391 H2O H1 4 0.423800 1.0079 0 - 3189 H2O 391 H2O H2 4 0.423800 1.0079 0 - 3190 H2O 392 H2O O1 6 -0.847600 15.9994 0 - 3191 H2O 392 H2O H1 4 0.423800 1.0079 0 - 3192 H2O 392 H2O H2 4 0.423800 1.0079 0 - 3193 H2O 393 H2O O1 6 -0.847600 15.9994 0 - 3194 H2O 393 H2O H1 4 0.423800 1.0079 0 - 3195 H2O 393 H2O H2 4 0.423800 1.0079 0 - 3196 H2O 394 H2O O1 6 -0.847600 15.9994 0 - 3197 H2O 394 H2O H1 4 0.423800 1.0079 0 - 3198 H2O 394 H2O H2 4 0.423800 1.0079 0 - 3199 H2O 395 H2O O1 6 -0.847600 15.9994 0 - 3200 H2O 395 H2O H1 4 0.423800 1.0079 0 - 3201 H2O 395 H2O H2 4 0.423800 1.0079 0 - 3202 H2O 396 H2O O1 6 -0.847600 15.9994 0 - 3203 H2O 396 H2O H1 4 0.423800 1.0079 0 - 3204 H2O 396 H2O H2 4 0.423800 1.0079 0 - 3205 H2O 397 H2O O1 6 -0.847600 15.9994 0 - 3206 H2O 397 H2O H1 4 0.423800 1.0079 0 - 3207 H2O 397 H2O H2 4 0.423800 1.0079 0 - 3208 H2O 398 H2O O1 6 -0.847600 15.9994 0 - 3209 H2O 398 H2O H1 4 0.423800 1.0079 0 - 3210 H2O 398 H2O H2 4 0.423800 1.0079 0 - 3211 H2O 399 H2O O1 6 -0.847600 15.9994 0 - 3212 H2O 399 H2O H1 4 0.423800 1.0079 0 - 3213 H2O 399 H2O H2 4 0.423800 1.0079 0 - 3214 H2O 400 H2O O1 6 -0.847600 15.9994 0 - 3215 H2O 400 H2O H1 4 0.423800 1.0079 0 - 3216 H2O 400 H2O H2 4 0.423800 1.0079 0 - 3217 H2O 401 H2O O1 6 -0.847600 15.9994 0 - 3218 H2O 401 H2O H1 4 0.423800 1.0079 0 - 3219 H2O 401 H2O H2 4 0.423800 1.0079 0 - 3220 H2O 402 H2O O1 6 -0.847600 15.9994 0 - 3221 H2O 402 H2O H1 4 0.423800 1.0079 0 - 3222 H2O 402 H2O H2 4 0.423800 1.0079 0 - 3223 H2O 403 H2O O1 6 -0.847600 15.9994 0 - 3224 H2O 403 H2O H1 4 0.423800 1.0079 0 - 3225 H2O 403 H2O H2 4 0.423800 1.0079 0 - 3226 H2O 404 H2O O1 6 -0.847600 15.9994 0 - 3227 H2O 404 H2O H1 4 0.423800 1.0079 0 - 3228 H2O 404 H2O H2 4 0.423800 1.0079 0 - 3229 H2O 405 H2O O1 6 -0.847600 15.9994 0 - 3230 H2O 405 H2O H1 4 0.423800 1.0079 0 - 3231 H2O 405 H2O H2 4 0.423800 1.0079 0 - 3232 H2O 406 H2O O1 6 -0.847600 15.9994 0 - 3233 H2O 406 H2O H1 4 0.423800 1.0079 0 - 3234 H2O 406 H2O H2 4 0.423800 1.0079 0 - 3235 h2o 1 h2o O1 5 -0.423800 15.9994 0 - 3236 h2o 1 h2o H1 3 0.211900 1.0079 0 - 3237 h2o 1 h2o H2 3 0.211900 1.0079 0 - 3238 h2o 2 h2o O1 5 -0.423800 15.9994 0 - 3239 h2o 2 h2o H1 3 0.211900 1.0079 0 - 3240 h2o 2 h2o H2 3 0.211900 1.0079 0 - 3241 h2o 3 h2o O1 5 -0.423800 15.9994 0 - 3242 h2o 3 h2o H1 3 0.211900 1.0079 0 - 3243 h2o 3 h2o H2 3 0.211900 1.0079 0 - 3244 h2o 4 h2o O1 5 -0.423800 15.9994 0 - 3245 h2o 4 h2o H1 3 0.211900 1.0079 0 - 3246 h2o 4 h2o H2 3 0.211900 1.0079 0 - 3247 h2o 5 h2o O1 5 -0.423800 15.9994 0 - 3248 h2o 5 h2o H1 3 0.211900 1.0079 0 - 3249 h2o 5 h2o H2 3 0.211900 1.0079 0 - - 822 !NBOND: bonds - 2017 2018 2017 2019 2020 2021 2020 2022 - 2023 2024 2023 2025 2026 2027 2026 2028 - 2029 2030 2029 2031 2032 2033 2032 2034 - 2035 2036 2035 2037 2038 2039 2038 2040 - 2041 2042 2041 2043 2044 2045 2044 2046 - 2047 2048 2047 2049 2050 2051 2050 2052 - 2053 2054 2053 2055 2056 2057 2056 2058 - 2059 2060 2059 2061 2062 2063 2062 2064 - 2065 2066 2065 2067 2068 2069 2068 2070 - 2071 2072 2071 2073 2074 2075 2074 2076 - 2077 2078 2077 2079 2080 2081 2080 2082 - 2083 2084 2083 2085 2086 2087 2086 2088 - 2089 2090 2089 2091 2092 2093 2092 2094 - 2095 2096 2095 2097 2098 2099 2098 2100 - 2101 2102 2101 2103 2104 2105 2104 2106 - 2107 2108 2107 2109 2110 2111 2110 2112 - 2113 2114 2113 2115 2116 2117 2116 2118 - 2119 2120 2119 2121 2122 2123 2122 2124 - 2125 2126 2125 2127 2128 2129 2128 2130 - 2131 2132 2131 2133 2134 2135 2134 2136 - 2137 2138 2137 2139 2140 2141 2140 2142 - 2143 2144 2143 2145 2146 2147 2146 2148 - 2149 2150 2149 2151 2152 2153 2152 2154 - 2155 2156 2155 2157 2158 2159 2158 2160 - 2161 2162 2161 2163 2164 2165 2164 2166 - 2167 2168 2167 2169 2170 2171 2170 2172 - 2173 2174 2173 2175 2176 2177 2176 2178 - 2179 2180 2179 2181 2182 2183 2182 2184 - 2185 2186 2185 2187 2188 2189 2188 2190 - 2191 2192 2191 2193 2194 2195 2194 2196 - 2197 2198 2197 2199 2200 2201 2200 2202 - 2203 2204 2203 2205 2206 2207 2206 2208 - 2209 2210 2209 2211 2212 2213 2212 2214 - 2215 2216 2215 2217 2218 2219 2218 2220 - 2221 2222 2221 2223 2224 2225 2224 2226 - 2227 2228 2227 2229 2230 2231 2230 2232 - 2233 2234 2233 2235 2236 2237 2236 2238 - 2239 2240 2239 2241 2242 2243 2242 2244 - 2245 2246 2245 2247 2248 2249 2248 2250 - 2251 2252 2251 2253 2254 2255 2254 2256 - 2257 2258 2257 2259 2260 2261 2260 2262 - 2263 2264 2263 2265 2266 2267 2266 2268 - 2269 2270 2269 2271 2272 2273 2272 2274 - 2275 2276 2275 2277 2278 2279 2278 2280 - 2281 2282 2281 2283 2284 2285 2284 2286 - 2287 2288 2287 2289 2290 2291 2290 2292 - 2293 2294 2293 2295 2296 2297 2296 2298 - 2299 2300 2299 2301 2302 2303 2302 2304 - 2305 2306 2305 2307 2308 2309 2308 2310 - 2311 2312 2311 2313 2314 2315 2314 2316 - 2317 2318 2317 2319 2320 2321 2320 2322 - 2323 2324 2323 2325 2326 2327 2326 2328 - 2329 2330 2329 2331 2332 2333 2332 2334 - 2335 2336 2335 2337 2338 2339 2338 2340 - 2341 2342 2341 2343 2344 2345 2344 2346 - 2347 2348 2347 2349 2350 2351 2350 2352 - 2353 2354 2353 2355 2356 2357 2356 2358 - 2359 2360 2359 2361 2362 2363 2362 2364 - 2365 2366 2365 2367 2368 2369 2368 2370 - 2371 2372 2371 2373 2374 2375 2374 2376 - 2377 2378 2377 2379 2380 2381 2380 2382 - 2383 2384 2383 2385 2386 2387 2386 2388 - 2389 2390 2389 2391 2392 2393 2392 2394 - 2395 2396 2395 2397 2398 2399 2398 2400 - 2401 2402 2401 2403 2404 2405 2404 2406 - 2407 2408 2407 2409 2410 2411 2410 2412 - 2413 2414 2413 2415 2416 2417 2416 2418 - 2419 2420 2419 2421 2422 2423 2422 2424 - 2425 2426 2425 2427 2428 2429 2428 2430 - 2431 2432 2431 2433 2434 2435 2434 2436 - 2437 2438 2437 2439 2440 2441 2440 2442 - 2443 2444 2443 2445 2446 2447 2446 2448 - 2449 2450 2449 2451 2452 2453 2452 2454 - 2455 2456 2455 2457 2458 2459 2458 2460 - 2461 2462 2461 2463 2464 2465 2464 2466 - 2467 2468 2467 2469 2470 2471 2470 2472 - 2473 2474 2473 2475 2476 2477 2476 2478 - 2479 2480 2479 2481 2482 2483 2482 2484 - 2485 2486 2485 2487 2488 2489 2488 2490 - 2491 2492 2491 2493 2494 2495 2494 2496 - 2497 2498 2497 2499 2500 2501 2500 2502 - 2503 2504 2503 2505 2506 2507 2506 2508 - 2509 2510 2509 2511 2512 2513 2512 2514 - 2515 2516 2515 2517 2518 2519 2518 2520 - 2521 2522 2521 2523 2524 2525 2524 2526 - 2527 2528 2527 2529 2530 2531 2530 2532 - 2533 2534 2533 2535 2536 2537 2536 2538 - 2539 2540 2539 2541 2542 2543 2542 2544 - 2545 2546 2545 2547 2548 2549 2548 2550 - 2551 2552 2551 2553 2554 2555 2554 2556 - 2557 2558 2557 2559 2560 2561 2560 2562 - 2563 2564 2563 2565 2566 2567 2566 2568 - 2569 2570 2569 2571 2572 2573 2572 2574 - 2575 2576 2575 2577 2578 2579 2578 2580 - 2581 2582 2581 2583 2584 2585 2584 2586 - 2587 2588 2587 2589 2590 2591 2590 2592 - 2593 2594 2593 2595 2596 2597 2596 2598 - 2599 2600 2599 2601 2602 2603 2602 2604 - 2605 2606 2605 2607 2608 2609 2608 2610 - 2611 2612 2611 2613 2614 2615 2614 2616 - 2617 2618 2617 2619 2620 2621 2620 2622 - 2623 2624 2623 2625 2626 2627 2626 2628 - 2629 2630 2629 2631 2632 2633 2632 2634 - 2635 2636 2635 2637 2638 2639 2638 2640 - 2641 2642 2641 2643 2644 2645 2644 2646 - 2647 2648 2647 2649 2650 2651 2650 2652 - 2653 2654 2653 2655 2656 2657 2656 2658 - 2659 2660 2659 2661 2662 2663 2662 2664 - 2665 2666 2665 2667 2668 2669 2668 2670 - 2671 2672 2671 2673 2674 2675 2674 2676 - 2677 2678 2677 2679 2680 2681 2680 2682 - 2683 2684 2683 2685 2686 2687 2686 2688 - 2689 2690 2689 2691 2692 2693 2692 2694 - 2695 2696 2695 2697 2698 2699 2698 2700 - 2701 2702 2701 2703 2704 2705 2704 2706 - 2707 2708 2707 2709 2710 2711 2710 2712 - 2713 2714 2713 2715 2716 2717 2716 2718 - 2719 2720 2719 2721 2722 2723 2722 2724 - 2725 2726 2725 2727 2728 2729 2728 2730 - 2731 2732 2731 2733 2734 2735 2734 2736 - 2737 2738 2737 2739 2740 2741 2740 2742 - 2743 2744 2743 2745 2746 2747 2746 2748 - 2749 2750 2749 2751 2752 2753 2752 2754 - 2755 2756 2755 2757 2758 2759 2758 2760 - 2761 2762 2761 2763 2764 2765 2764 2766 - 2767 2768 2767 2769 2770 2771 2770 2772 - 2773 2774 2773 2775 2776 2777 2776 2778 - 2779 2780 2779 2781 2782 2783 2782 2784 - 2785 2786 2785 2787 2788 2789 2788 2790 - 2791 2792 2791 2793 2794 2795 2794 2796 - 2797 2798 2797 2799 2800 2801 2800 2802 - 2803 2804 2803 2805 2806 2807 2806 2808 - 2809 2810 2809 2811 2812 2813 2812 2814 - 2815 2816 2815 2817 2818 2819 2818 2820 - 2821 2822 2821 2823 2824 2825 2824 2826 - 2827 2828 2827 2829 2830 2831 2830 2832 - 2833 2834 2833 2835 2836 2837 2836 2838 - 2839 2840 2839 2841 2842 2843 2842 2844 - 2845 2846 2845 2847 2848 2849 2848 2850 - 2851 2852 2851 2853 2854 2855 2854 2856 - 2857 2858 2857 2859 2860 2861 2860 2862 - 2863 2864 2863 2865 2866 2867 2866 2868 - 2869 2870 2869 2871 2872 2873 2872 2874 - 2875 2876 2875 2877 2878 2879 2878 2880 - 2881 2882 2881 2883 2884 2885 2884 2886 - 2887 2888 2887 2889 2890 2891 2890 2892 - 2893 2894 2893 2895 2896 2897 2896 2898 - 2899 2900 2899 2901 2902 2903 2902 2904 - 2905 2906 2905 2907 2908 2909 2908 2910 - 2911 2912 2911 2913 2914 2915 2914 2916 - 2917 2918 2917 2919 2920 2921 2920 2922 - 2923 2924 2923 2925 2926 2927 2926 2928 - 2929 2930 2929 2931 2932 2933 2932 2934 - 2935 2936 2935 2937 2938 2939 2938 2940 - 2941 2942 2941 2943 2944 2945 2944 2946 - 2947 2948 2947 2949 2950 2951 2950 2952 - 2953 2954 2953 2955 2956 2957 2956 2958 - 2959 2960 2959 2961 2962 2963 2962 2964 - 2965 2966 2965 2967 2968 2969 2968 2970 - 2971 2972 2971 2973 2974 2975 2974 2976 - 2977 2978 2977 2979 2980 2981 2980 2982 - 2983 2984 2983 2985 2986 2987 2986 2988 - 2989 2990 2989 2991 2992 2993 2992 2994 - 2995 2996 2995 2997 2998 2999 2998 3000 - 3001 3002 3001 3003 3004 3005 3004 3006 - 3007 3008 3007 3009 3010 3011 3010 3012 - 3013 3014 3013 3015 3016 3017 3016 3018 - 3019 3020 3019 3021 3022 3023 3022 3024 - 3025 3026 3025 3027 3028 3029 3028 3030 - 3031 3032 3031 3033 3034 3035 3034 3036 - 3037 3038 3037 3039 3040 3041 3040 3042 - 3043 3044 3043 3045 3046 3047 3046 3048 - 3049 3050 3049 3051 3052 3053 3052 3054 - 3055 3056 3055 3057 3058 3059 3058 3060 - 3061 3062 3061 3063 3064 3065 3064 3066 - 3067 3068 3067 3069 3070 3071 3070 3072 - 3073 3074 3073 3075 3076 3077 3076 3078 - 3079 3080 3079 3081 3082 3083 3082 3084 - 3085 3086 3085 3087 3088 3089 3088 3090 - 3091 3092 3091 3093 3094 3095 3094 3096 - 3097 3098 3097 3099 3100 3101 3100 3102 - 3103 3104 3103 3105 3106 3107 3106 3108 - 3109 3110 3109 3111 3112 3113 3112 3114 - 3115 3116 3115 3117 3118 3119 3118 3120 - 3121 3122 3121 3123 3124 3125 3124 3126 - 3127 3128 3127 3129 3130 3131 3130 3132 - 3133 3134 3133 3135 3136 3137 3136 3138 - 3139 3140 3139 3141 3142 3143 3142 3144 - 3145 3146 3145 3147 3148 3149 3148 3150 - 3151 3152 3151 3153 3154 3155 3154 3156 - 3157 3158 3157 3159 3160 3161 3160 3162 - 3163 3164 3163 3165 3166 3167 3166 3168 - 3169 3170 3169 3171 3172 3173 3172 3174 - 3175 3176 3175 3177 3178 3179 3178 3180 - 3181 3182 3181 3183 3184 3185 3184 3186 - 3187 3188 3187 3189 3190 3191 3190 3192 - 3193 3194 3193 3195 3196 3197 3196 3198 - 3199 3200 3199 3201 3202 3203 3202 3204 - 3205 3206 3205 3207 3208 3209 3208 3210 - 3211 3212 3211 3213 3214 3215 3214 3216 - 3217 3218 3217 3219 3220 3221 3220 3222 - 3223 3224 3223 3225 3226 3227 3226 3228 - 3229 3230 3229 3231 3232 3233 3232 3234 - 3235 3236 3235 3237 3238 3239 3238 3240 - 3241 3242 3241 3243 3244 3245 3244 3246 - 3247 3248 3247 3249 - - 411 !NTHETA: angles - 2018 2017 2019 2021 2020 2022 2024 2023 2025 - 2027 2026 2028 2030 2029 2031 2033 2032 2034 - 2036 2035 2037 2039 2038 2040 2042 2041 2043 - 2045 2044 2046 2048 2047 2049 2051 2050 2052 - 2054 2053 2055 2057 2056 2058 2060 2059 2061 - 2063 2062 2064 2066 2065 2067 2069 2068 2070 - 2072 2071 2073 2075 2074 2076 2078 2077 2079 - 2081 2080 2082 2084 2083 2085 2087 2086 2088 - 2090 2089 2091 2093 2092 2094 2096 2095 2097 - 2099 2098 2100 2102 2101 2103 2105 2104 2106 - 2108 2107 2109 2111 2110 2112 2114 2113 2115 - 2117 2116 2118 2120 2119 2121 2123 2122 2124 - 2126 2125 2127 2129 2128 2130 2132 2131 2133 - 2135 2134 2136 2138 2137 2139 2141 2140 2142 - 2144 2143 2145 2147 2146 2148 2150 2149 2151 - 2153 2152 2154 2156 2155 2157 2159 2158 2160 - 2162 2161 2163 2165 2164 2166 2168 2167 2169 - 2171 2170 2172 2174 2173 2175 2177 2176 2178 - 2180 2179 2181 2183 2182 2184 2186 2185 2187 - 2189 2188 2190 2192 2191 2193 2195 2194 2196 - 2198 2197 2199 2201 2200 2202 2204 2203 2205 - 2207 2206 2208 2210 2209 2211 2213 2212 2214 - 2216 2215 2217 2219 2218 2220 2222 2221 2223 - 2225 2224 2226 2228 2227 2229 2231 2230 2232 - 2234 2233 2235 2237 2236 2238 2240 2239 2241 - 2243 2242 2244 2246 2245 2247 2249 2248 2250 - 2252 2251 2253 2255 2254 2256 2258 2257 2259 - 2261 2260 2262 2264 2263 2265 2267 2266 2268 - 2270 2269 2271 2273 2272 2274 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3229 3231 - 3233 3232 3234 3236 3235 3237 3239 3238 3240 - 3242 3241 3243 3245 3244 3246 3248 3247 3249 - - - 0 !NPHI: dihedrals - - diff --git a/simulations/NVT/3x3x1.6nm_3-layer/gomc/wp_NVT_16A.sh b/simulations/NVT/3x3x1.6nm_3-layer/gomc/wp_NVT_16A.sh deleted file mode 100644 index 4eccb6c..0000000 --- a/simulations/NVT/3x3x1.6nm_3-layer/gomc/wp_NVT_16A.sh +++ /dev/null @@ -1,21 +0,0 @@ -#!/bin/bash - -#SBATCH --job-name 16A_NVT -#SBATCH -q primary -#SBATCH -N 1 -#SBATCH -n 8 -#SBATCH --mem=16G -#SBATCH --constraint=intel -#SBATCH --mail-type=ALL -#SBATCH --mail-user=bc118@wayne.edu -#SBATCH -o output_%j.out -#SBATCH -e errors_%j.err -#SBATCH -t 336:0:0 - -echo "Running on host" hostname -echo "Time is" date -module swap gnu7/7.3.0 intel/2019 - -cd /wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/NVT/3x3x1.6nm_3-layer/gomc - -/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_NVT +p8 slit_water_NVT.conf > slit_water_NVT.dat diff --git a/simulations/NVT/3x3x2.0nm_3-layer/gomc/Blk_Output_data_BOX_0.dat b/simulations/NVT/3x3x2.0nm_3-layer/gomc/Blk_Output_data_BOX_0.dat deleted file mode 100644 index a8b5d17..0000000 --- a/simulations/NVT/3x3x2.0nm_3-layer/gomc/Blk_Output_data_BOX_0.dat +++ /dev/null @@ -1,11 +0,0 @@ -#STEPS TOT_EN EN_INTER EN_TC EN_INTRA(B) EN_INTRA(NB) EN_ELECT EN_REAL EN_RECIP TOTAL_VIR PRESSURE TOT_MOL TOT_DENS -1000000 1.21968462e+10 6.42838178e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -3.15242570e+06 -2.87630228e+06 1.92686843e+05 1.27307065e+08 1.82354501e+05 5.42000000e+02 1.74758554e+03 -2000000 1.21964893e+10 3.98783897e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -3.26533101e+06 -3.00642018e+06 2.09906243e+05 6.34880904e+06 9.75097961e+03 5.42000000e+02 1.74758554e+03 -3000000 1.21964479e+10 3.90197079e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -3.29811024e+06 -3.04166677e+06 2.12373604e+05 3.37060039e+06 5.50117213e+03 5.42000000e+02 1.74758554e+03 -4000000 1.21964191e+10 3.80905740e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -3.31764999e+06 -3.06780179e+06 2.18968871e+05 2.90719267e+06 4.83990430e+03 5.42000000e+02 1.74758554e+03 -5000000 1.21964283e+10 3.43982263e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -3.27147291e+06 -3.03012284e+06 2.27467004e+05 2.50520321e+06 4.26627833e+03 5.42000000e+02 1.74758554e+03 -6000000 1.21964429e+10 3.58288100e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -3.27123390e+06 -3.04612649e+06 2.43709665e+05 -1.33853579e+05 5.00429603e+02 5.42000000e+02 1.74758554e+03 -7000000 1.21964506e+10 3.70171282e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -3.27534800e+06 -3.06247161e+06 2.55940675e+05 -4.26184299e+05 8.32831151e+01 5.42000000e+02 1.74758554e+03 -8000000 1.21964420e+10 3.58275158e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -3.27213456e+06 -3.06711181e+06 2.63794325e+05 -2.08320493e+06 -2.28123177e+03 5.42000000e+02 1.74758554e+03 -9000000 1.21964569e+10 3.76577961e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -3.27548741e+06 -3.07707157e+06 2.70401227e+05 1.43522243e+06 2.73945035e+03 5.42000000e+02 1.74758554e+03 -10000000 1.21964645e+10 3.76208111e+05 0.00000000e+00 0.00000000e+00 1.21993558e+10 -3.26747700e+06 -3.07734145e+06 2.78681516e+05 2.54225899e+06 4.31915574e+03 5.42000000e+02 1.74758554e+03 diff --git a/simulations/NVT/3x3x2.0nm_3-layer/gomc/NVT_build/build_NVT_pore_3x3x2.0nm_3-layer.py b/simulations/NVT/3x3x2.0nm_3-layer/gomc/NVT_build/build_NVT_pore_3x3x2.0nm_3-layer.py deleted file mode 100644 index 551ba9e..0000000 --- a/simulations/NVT/3x3x2.0nm_3-layer/gomc/NVT_build/build_NVT_pore_3x3x2.0nm_3-layer.py +++ /dev/null @@ -1,104 +0,0 @@ -from mbuild.recipes.porebuilder import GraphenePore -import mbuild as mb -from foyer import Forcefield -import mbuild.formats.charmm_writer as mf_charmm - - -Water_res_name = 'H2O' -Fake_water_res_name = 'h2o' - -FF_file = '../../../../../mosdef_slitpore/ffxml/pore-spce.xml' -FF_file_fake_water = '../../../../../mosdef_slitpore/ffxml/FF_Fake_SPCE.xml' - - -water = mb.load('O', smiles=True) -water.name = Water_res_name -print('water.name = '+str(water.name)) - -water.energy_minimization(forcefield = FF_file , steps=10**9) - -Fake_water = mb.load('O', smiles=True) -Fake_water.name = Fake_water_res_name -Fake_water.energy_minimization(forcefield = FF_file_fake_water , steps=10**9) - - -FF_Graphene_pore_w_solvent_fake_water_Dict = {'H2O' : FF_file, 'h2o' : FF_file_fake_water , 'BOT': FF_file, 'TOP': FF_file} -residues_Graphene_pore_w_solvent_fake_water_List = [Fake_water.name, water.name, 'BOT', 'TOP'] -Fix_bonds_angles_fake_water_residues = [ water.name, Fake_water.name] - -Fix_Graphene_residue = [ 'BOT', 'TOP'] - - - -#************************************************************** -# builds water reservoir (start) -#************************************************************** - -box_reservior_w_fake_water = mb.fill_box(compound=[water,Fake_water],density=600, - box=[6,6,6], compound_ratio=[0.8,0.2]) -#************************************************************** -# builds water reservoir (end) -#************************************************************** - -#************************************************************** -# builds filled graphene slit for 20 Ang or 2nm (start) -#************************************************************** -# Create graphene system -pore_width_nm = 2.0 -No_sheets = 3 -sheet_spacing = 0.335 - -water_spacing_from_walls = 0.2 - -Total_waters_fake_water = 540 - -#for GOMC, currently we need to add the space at the end of the simulation -# this does not matter as we are using PBC's -empty_graphene_pore = GraphenePore( - pore_width=sheet_spacing , - pore_length=3.0, - pore_depth=3.0, - n_sheets=No_sheets, - slit_pore_dim=2 -) - -empty_graphene_pore_shifted = empty_graphene_pore - - -n_fake_waters = 5 -n_waters = Total_waters_fake_water - n_fake_waters - -z_shift= 0 - -#note the default spacing of 0.2 automatically accounted for in the water box packing (i.e. adding 0.2 nm for 1 wall is really 0.4 nm) -water_between_pores = mb.fill_box(compound=[water,Fake_water], n_compounds= [n_waters, n_fake_waters] , box=[3.0, 3.0, pore_width_nm - water_spacing_from_walls*1]) -water_between_pores.translate([0, 0, sheet_spacing*(2*No_sheets-1) + water_spacing_from_walls]) -water_between_pores.translate([ -water_between_pores.center[0], -water_between_pores.center[1], z_shift]) - -empty_graphene_pore.translate([ -empty_graphene_pore.center[0], -empty_graphene_pore.center[1], z_shift]) - -filled_pore = empty_graphene_pore -filled_pore.add(water_between_pores, inherit_periodicity=False) -filled_pore.translate([ -filled_pore.center[0], -filled_pore.center[1], 0]) -filled_pore.periodicity[2] = sheet_spacing*(2*No_sheets-1)+pore_width_nm - -mf_charmm.charmm_psf_psb_FF(filled_pore, - 'filled_pore_fake_water_3x3x2.0nm_3-layer', - structure_1 =None , - filename_1 = None, - GOMC_FF_filename ="GOMC_pore_fake_water_FF" , - forcefield_files= FF_Graphene_pore_w_solvent_fake_water_Dict , - residues= residues_Graphene_pore_w_solvent_fake_water_List , - Bead_to_atom_name_dict = None, - fix_residue = Fix_Graphene_residue, - fix_res_bonds_angles = Fix_bonds_angles_fake_water_residues, - reorder_res_in_pdb_psf = False - ) - - - -#************************************************************** -# builds filled graphene slit for 20 Ang or 2nm (end) -#************************************************************** - - diff --git a/simulations/NVT/3x3x2.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb b/simulations/NVT/3x3x2.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb deleted file mode 100644 index aab0e5b..0000000 --- a/simulations/NVT/3x3x2.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb +++ /dev/null @@ -1,3639 +0,0 @@ -REMARK GOMC 3.764 0.71405 0.000 10000000 -CRYST1 29.472 29.777 36.750 90.00 90.00 90.00 P 1 1 -ATOM 1 C1 TOP A 1 15.350 15.597 10.050 0.00 1.00 -ATOM 2 C2 TOP A 1 15.350 15.597 13.400 0.00 1.00 -ATOM 3 C3 TOP A 1 15.350 15.597 16.750 0.00 1.00 -ATOM 4 C4 TOP A 1 14.122 17.724 10.050 0.00 1.00 -ATOM 5 C5 TOP A 1 14.122 17.724 13.400 0.00 1.00 -ATOM 6 C6 TOP A 1 14.122 17.724 16.750 0.00 1.00 -ATOM 7 C7 TOP A 1 12.894 19.851 10.050 0.00 1.00 -ATOM 8 C8 TOP A 1 12.894 19.851 13.400 0.00 1.00 -ATOM 9 C9 TOP A 1 12.894 19.851 16.750 0.00 1.00 -ATOM 10 CA TOP A 1 11.666 21.978 10.050 0.00 1.00 -ATOM 11 CB TOP A 1 11.666 21.978 13.400 0.00 1.00 -ATOM 12 CC TOP A 1 11.666 21.978 16.750 0.00 1.00 -ATOM 13 CD TOP A 1 10.438 24.105 10.050 0.00 1.00 -ATOM 14 CE TOP A 1 10.438 24.105 13.400 0.00 1.00 -ATOM 15 CF TOP A 1 10.438 24.105 16.750 0.00 1.00 -ATOM 16 CG TOP A 1 9.210 26.232 10.050 0.00 1.00 -ATOM 17 CH TOP A 1 9.210 26.232 13.400 0.00 1.00 -ATOM 18 CI TOP A 1 9.210 26.232 16.750 0.00 1.00 -ATOM 19 CJ TOP A 1 7.982 28.359 10.050 0.00 1.00 -ATOM 20 CK TOP A 1 7.982 28.359 13.400 0.00 1.00 -ATOM 21 CL TOP A 1 7.982 28.359 16.750 0.00 1.00 -ATOM 22 CM TOP A 1 6.754 0.709 10.050 0.00 1.00 -ATOM 23 CN TOP A 1 6.754 0.709 13.400 0.00 1.00 -ATOM 24 CO TOP A 1 6.754 0.709 16.750 0.00 1.00 -ATOM 25 CP TOP A 1 5.526 2.836 10.050 0.00 1.00 -ATOM 26 CQ TOP A 1 5.526 2.836 13.400 0.00 1.00 -ATOM 27 CR TOP A 1 5.526 2.836 16.750 0.00 1.00 -ATOM 28 CS TOP A 1 4.298 4.963 10.050 0.00 1.00 -ATOM 29 CT TOP A 1 4.298 4.963 13.400 0.00 1.00 -ATOM 30 CU TOP A 1 4.298 4.963 16.750 0.00 1.00 -ATOM 31 CV TOP A 1 3.070 7.090 10.050 0.00 1.00 -ATOM 32 CW TOP A 1 3.070 7.090 13.400 0.00 1.00 -ATOM 33 CX TOP A 1 3.070 7.090 16.750 0.00 1.00 -ATOM 34 CY TOP A 1 1.842 9.217 10.050 0.00 1.00 -ATOM 35 CZ TOP A 1 1.842 9.217 13.400 0.00 1.00 -ATOM 36 Ca TOP A 1 1.842 9.217 16.750 0.00 1.00 -ATOM 37 Cb TOP A 1 0.614 11.344 10.050 0.00 1.00 -ATOM 38 Cc TOP A 1 0.614 11.344 13.400 0.00 1.00 -ATOM 39 Cd TOP A 1 0.614 11.344 16.750 0.00 1.00 -ATOM 40 Ce TOP A 1 28.858 13.471 10.050 0.00 1.00 -ATOM 41 Cf TOP A 1 28.858 13.471 13.400 0.00 1.00 -ATOM 42 Cg TOP A 1 28.858 13.471 16.750 0.00 1.00 -ATOM 43 Ch TOP A 1 17.806 15.597 10.050 0.00 1.00 -ATOM 44 Ci TOP A 1 17.806 15.597 13.400 0.00 1.00 -ATOM 45 Cj TOP A 1 17.806 15.597 16.750 0.00 1.00 -ATOM 46 Ck TOP A 1 16.578 17.724 10.050 0.00 1.00 -ATOM 47 Cl TOP A 1 16.578 17.724 13.400 0.00 1.00 -ATOM 48 Cm TOP A 1 16.578 17.724 16.750 0.00 1.00 -ATOM 49 Cn TOP A 1 15.350 19.851 10.050 0.00 1.00 -ATOM 50 Co TOP A 1 15.350 19.851 13.400 0.00 1.00 -ATOM 51 Cp TOP A 1 15.350 19.851 16.750 0.00 1.00 -ATOM 52 Cq TOP A 1 14.122 21.978 10.050 0.00 1.00 -ATOM 53 Cr TOP A 1 14.122 21.978 13.400 0.00 1.00 -ATOM 54 Cs TOP A 1 14.122 21.978 16.750 0.00 1.00 -ATOM 55 Ct TOP A 1 12.894 24.105 10.050 0.00 1.00 -ATOM 56 Cu TOP A 1 12.894 24.105 13.400 0.00 1.00 -ATOM 57 Cv TOP A 1 12.894 24.105 16.750 0.00 1.00 -ATOM 58 Cw TOP A 1 11.666 26.232 10.050 0.00 1.00 -ATOM 59 Cx TOP A 1 11.666 26.232 13.400 0.00 1.00 -ATOM 60 Cy TOP A 1 11.666 26.232 16.750 0.00 1.00 -ATOM 61 Cz TOP A 1 10.438 28.359 10.050 0.00 1.00 -ATOM 62 C10 TOP A 1 10.438 28.359 13.400 0.00 1.00 -ATOM 63 C11 TOP A 1 10.438 28.359 16.750 0.00 1.00 -ATOM 64 C12 TOP A 1 9.210 0.709 10.050 0.00 1.00 -ATOM 65 C13 TOP A 1 9.210 0.709 13.400 0.00 1.00 -ATOM 66 C14 TOP A 1 9.210 0.709 16.750 0.00 1.00 -ATOM 67 C15 TOP A 1 7.982 2.836 10.050 0.00 1.00 -ATOM 68 C16 TOP A 1 7.982 2.836 13.400 0.00 1.00 -ATOM 69 C17 TOP A 1 7.982 2.836 16.750 0.00 1.00 -ATOM 70 C18 TOP A 1 6.754 4.963 10.050 0.00 1.00 -ATOM 71 C19 TOP A 1 6.754 4.963 13.400 0.00 1.00 -ATOM 72 C1A TOP A 1 6.754 4.963 16.750 0.00 1.00 -ATOM 73 C1B TOP A 1 5.526 7.090 10.050 0.00 1.00 -ATOM 74 C1C TOP A 1 5.526 7.090 13.400 0.00 1.00 -ATOM 75 C1D TOP A 1 5.526 7.090 16.750 0.00 1.00 -ATOM 76 C1E TOP A 1 4.298 9.217 10.050 0.00 1.00 -ATOM 77 C1F TOP A 1 4.298 9.217 13.400 0.00 1.00 -ATOM 78 C1G TOP A 1 4.298 9.217 16.750 0.00 1.00 -ATOM 79 C1H TOP A 1 3.070 11.344 10.050 0.00 1.00 -ATOM 80 C1I TOP A 1 3.070 11.344 13.400 0.00 1.00 -ATOM 81 C1J TOP A 1 3.070 11.344 16.750 0.00 1.00 -ATOM 82 C1K TOP A 1 1.842 13.471 10.050 0.00 1.00 -ATOM 83 C1L TOP A 1 1.842 13.471 13.400 0.00 1.00 -ATOM 84 C1M TOP A 1 1.842 13.471 16.750 0.00 1.00 -ATOM 85 C1N TOP A 1 20.262 15.597 10.050 0.00 1.00 -ATOM 86 C1O TOP A 1 20.262 15.597 13.400 0.00 1.00 -ATOM 87 C1P TOP A 1 20.262 15.597 16.750 0.00 1.00 -ATOM 88 C1Q TOP A 1 19.034 17.724 10.050 0.00 1.00 -ATOM 89 C1R TOP A 1 19.034 17.724 13.400 0.00 1.00 -ATOM 90 C1S TOP A 1 19.034 17.724 16.750 0.00 1.00 -ATOM 91 C1T TOP A 1 17.806 19.851 10.050 0.00 1.00 -ATOM 92 C1U TOP A 1 17.806 19.851 13.400 0.00 1.00 -ATOM 93 C1V TOP A 1 17.806 19.851 16.750 0.00 1.00 -ATOM 94 C1W TOP A 1 16.578 21.978 10.050 0.00 1.00 -ATOM 95 C1X TOP A 1 16.578 21.978 13.400 0.00 1.00 -ATOM 96 C1Y TOP A 1 16.578 21.978 16.750 0.00 1.00 -ATOM 97 C1Z TOP A 1 15.350 24.105 10.050 0.00 1.00 -ATOM 98 C1a TOP A 1 15.350 24.105 13.400 0.00 1.00 -ATOM 99 C1b TOP A 1 15.350 24.105 16.750 0.00 1.00 -ATOM 100 C1c TOP A 1 14.122 26.232 10.050 0.00 1.00 -ATOM 101 C1d TOP A 1 14.122 26.232 13.400 0.00 1.00 -ATOM 102 C1e TOP A 1 14.122 26.232 16.750 0.00 1.00 -ATOM 103 C1f TOP A 1 12.894 28.359 10.050 0.00 1.00 -ATOM 104 C1g TOP A 1 12.894 28.359 13.400 0.00 1.00 -ATOM 105 C1h TOP A 1 12.894 28.359 16.750 0.00 1.00 -ATOM 106 C1i TOP A 1 11.666 0.709 10.050 0.00 1.00 -ATOM 107 C1j TOP A 1 11.666 0.709 13.400 0.00 1.00 -ATOM 108 C1k TOP A 1 11.666 0.709 16.750 0.00 1.00 -ATOM 109 C1l TOP A 1 10.438 2.836 10.050 0.00 1.00 -ATOM 110 C1m TOP A 1 10.438 2.836 13.400 0.00 1.00 -ATOM 111 C1n TOP A 1 10.438 2.836 16.750 0.00 1.00 -ATOM 112 C1o TOP A 1 9.210 4.963 10.050 0.00 1.00 -ATOM 113 C1p TOP A 1 9.210 4.963 13.400 0.00 1.00 -ATOM 114 C1q TOP A 1 9.210 4.963 16.750 0.00 1.00 -ATOM 115 C1r TOP A 1 7.982 7.090 10.050 0.00 1.00 -ATOM 116 C1s TOP A 1 7.982 7.090 13.400 0.00 1.00 -ATOM 117 C1t TOP A 1 7.982 7.090 16.750 0.00 1.00 -ATOM 118 C1u TOP A 1 6.754 9.217 10.050 0.00 1.00 -ATOM 119 C1v TOP A 1 6.754 9.217 13.400 0.00 1.00 -ATOM 120 C1w TOP A 1 6.754 9.217 16.750 0.00 1.00 -ATOM 121 C1x TOP A 1 5.526 11.344 10.050 0.00 1.00 -ATOM 122 C1y TOP A 1 5.526 11.344 13.400 0.00 1.00 -ATOM 123 C1z TOP A 1 5.526 11.344 16.750 0.00 1.00 -ATOM 124 C20 TOP A 1 4.298 13.471 10.050 0.00 1.00 -ATOM 125 C21 TOP A 1 4.298 13.471 13.400 0.00 1.00 -ATOM 126 C22 TOP A 1 4.298 13.471 16.750 0.00 1.00 -ATOM 127 C23 TOP A 1 22.718 15.597 10.050 0.00 1.00 -ATOM 128 C24 TOP A 1 22.718 15.597 13.400 0.00 1.00 -ATOM 129 C25 TOP A 1 22.718 15.597 16.750 0.00 1.00 -ATOM 130 C26 TOP A 1 21.490 17.724 10.050 0.00 1.00 -ATOM 131 C27 TOP A 1 21.490 17.724 13.400 0.00 1.00 -ATOM 132 C28 TOP A 1 21.490 17.724 16.750 0.00 1.00 -ATOM 133 C29 TOP A 1 20.262 19.851 10.050 0.00 1.00 -ATOM 134 C2A TOP A 1 20.262 19.851 13.400 0.00 1.00 -ATOM 135 C2B TOP A 1 20.262 19.851 16.750 0.00 1.00 -ATOM 136 C2C TOP A 1 19.034 21.978 10.050 0.00 1.00 -ATOM 137 C2D TOP A 1 19.034 21.978 13.400 0.00 1.00 -ATOM 138 C2E TOP A 1 19.034 21.978 16.750 0.00 1.00 -ATOM 139 C2F TOP A 1 17.806 24.105 10.050 0.00 1.00 -ATOM 140 C2G TOP A 1 17.806 24.105 13.400 0.00 1.00 -ATOM 141 C2H TOP A 1 17.806 24.105 16.750 0.00 1.00 -ATOM 142 C2I TOP A 1 16.578 26.232 10.050 0.00 1.00 -ATOM 143 C2J TOP A 1 16.578 26.232 13.400 0.00 1.00 -ATOM 144 C2K TOP A 1 16.578 26.232 16.750 0.00 1.00 -ATOM 145 C2L TOP A 1 15.350 28.359 10.050 0.00 1.00 -ATOM 146 C2M TOP A 1 15.350 28.359 13.400 0.00 1.00 -ATOM 147 C2N TOP A 1 15.350 28.359 16.750 0.00 1.00 -ATOM 148 C2O TOP A 1 14.122 0.709 10.050 0.00 1.00 -ATOM 149 C2P TOP A 1 14.122 0.709 13.400 0.00 1.00 -ATOM 150 C2Q TOP A 1 14.122 0.709 16.750 0.00 1.00 -ATOM 151 C2R TOP A 1 12.894 2.836 10.050 0.00 1.00 -ATOM 152 C2S TOP A 1 12.894 2.836 13.400 0.00 1.00 -ATOM 153 C2T TOP A 1 12.894 2.836 16.750 0.00 1.00 -ATOM 154 C2U TOP A 1 11.666 4.963 10.050 0.00 1.00 -ATOM 155 C2V TOP A 1 11.666 4.963 13.400 0.00 1.00 -ATOM 156 C2W TOP A 1 11.666 4.963 16.750 0.00 1.00 -ATOM 157 C2X TOP A 1 10.438 7.090 10.050 0.00 1.00 -ATOM 158 C2Y TOP A 1 10.438 7.090 13.400 0.00 1.00 -ATOM 159 C2Z TOP A 1 10.438 7.090 16.750 0.00 1.00 -ATOM 160 C2a TOP A 1 9.210 9.217 10.050 0.00 1.00 -ATOM 161 C2b TOP A 1 9.210 9.217 13.400 0.00 1.00 -ATOM 162 C2c TOP A 1 9.210 9.217 16.750 0.00 1.00 -ATOM 163 C2d TOP A 1 7.982 11.344 10.050 0.00 1.00 -ATOM 164 C2e TOP A 1 7.982 11.344 13.400 0.00 1.00 -ATOM 165 C2f TOP A 1 7.982 11.344 16.750 0.00 1.00 -ATOM 166 C2g TOP A 1 6.754 13.471 10.050 0.00 1.00 -ATOM 167 C2h TOP A 1 6.754 13.471 13.400 0.00 1.00 -ATOM 168 C2i TOP A 1 6.754 13.471 16.750 0.00 1.00 -ATOM 169 C2j TOP A 1 25.174 15.597 10.050 0.00 1.00 -ATOM 170 C2k TOP A 1 25.174 15.597 13.400 0.00 1.00 -ATOM 171 C2l TOP A 1 25.174 15.597 16.750 0.00 1.00 -ATOM 172 C2m TOP A 1 23.946 17.724 10.050 0.00 1.00 -ATOM 173 C2n TOP A 1 23.946 17.724 13.400 0.00 1.00 -ATOM 174 C2o TOP A 1 23.946 17.724 16.750 0.00 1.00 -ATOM 175 C2p TOP A 1 22.718 19.851 10.050 0.00 1.00 -ATOM 176 C2q TOP A 1 22.718 19.851 13.400 0.00 1.00 -ATOM 177 C2r TOP A 1 22.718 19.851 16.750 0.00 1.00 -ATOM 178 C2s TOP A 1 21.490 21.978 10.050 0.00 1.00 -ATOM 179 C2t TOP A 1 21.490 21.978 13.400 0.00 1.00 -ATOM 180 C2u TOP A 1 21.490 21.978 16.750 0.00 1.00 -ATOM 181 C2v TOP A 1 20.262 24.105 10.050 0.00 1.00 -ATOM 182 C2w TOP A 1 20.262 24.105 13.400 0.00 1.00 -ATOM 183 C2x TOP A 1 20.262 24.105 16.750 0.00 1.00 -ATOM 184 C2y TOP A 1 19.034 26.232 10.050 0.00 1.00 -ATOM 185 C2z TOP A 1 19.034 26.232 13.400 0.00 1.00 -ATOM 186 C30 TOP A 1 19.034 26.232 16.750 0.00 1.00 -ATOM 187 C31 TOP A 1 17.806 28.359 10.050 0.00 1.00 -ATOM 188 C32 TOP A 1 17.806 28.359 13.400 0.00 1.00 -ATOM 189 C33 TOP A 1 17.806 28.359 16.750 0.00 1.00 -ATOM 190 C34 TOP A 1 16.578 0.709 10.050 0.00 1.00 -ATOM 191 C35 TOP A 1 16.578 0.709 13.400 0.00 1.00 -ATOM 192 C36 TOP A 1 16.578 0.709 16.750 0.00 1.00 -ATOM 193 C37 TOP A 1 15.350 2.836 10.050 0.00 1.00 -ATOM 194 C38 TOP A 1 15.350 2.836 13.400 0.00 1.00 -ATOM 195 C39 TOP A 1 15.350 2.836 16.750 0.00 1.00 -ATOM 196 C3A TOP A 1 14.122 4.963 10.050 0.00 1.00 -ATOM 197 C3B TOP A 1 14.122 4.963 13.400 0.00 1.00 -ATOM 198 C3C TOP A 1 14.122 4.963 16.750 0.00 1.00 -ATOM 199 C3D TOP A 1 12.894 7.090 10.050 0.00 1.00 -ATOM 200 C3E TOP A 1 12.894 7.090 13.400 0.00 1.00 -ATOM 201 C3F TOP A 1 12.894 7.090 16.750 0.00 1.00 -ATOM 202 C3G TOP A 1 11.666 9.217 10.050 0.00 1.00 -ATOM 203 C3H TOP A 1 11.666 9.217 13.400 0.00 1.00 -ATOM 204 C3I TOP A 1 11.666 9.217 16.750 0.00 1.00 -ATOM 205 C3J TOP A 1 10.438 11.344 10.050 0.00 1.00 -ATOM 206 C3K TOP A 1 10.438 11.344 13.400 0.00 1.00 -ATOM 207 C3L TOP A 1 10.438 11.344 16.750 0.00 1.00 -ATOM 208 C3M TOP A 1 9.210 13.471 10.050 0.00 1.00 -ATOM 209 C3N TOP A 1 9.210 13.471 13.400 0.00 1.00 -ATOM 210 C3O TOP A 1 9.210 13.471 16.750 0.00 1.00 -ATOM 211 C3P TOP A 1 27.630 15.597 10.050 0.00 1.00 -ATOM 212 C3Q TOP A 1 27.630 15.597 13.400 0.00 1.00 -ATOM 213 C3R TOP A 1 27.630 15.597 16.750 0.00 1.00 -ATOM 214 C3S TOP A 1 26.402 17.724 10.050 0.00 1.00 -ATOM 215 C3T TOP A 1 26.402 17.724 13.400 0.00 1.00 -ATOM 216 C3U TOP A 1 26.402 17.724 16.750 0.00 1.00 -ATOM 217 C3V TOP A 1 25.174 19.851 10.050 0.00 1.00 -ATOM 218 C3W TOP A 1 25.174 19.851 13.400 0.00 1.00 -ATOM 219 C3X TOP A 1 25.174 19.851 16.750 0.00 1.00 -ATOM 220 C3Y TOP A 1 23.946 21.978 10.050 0.00 1.00 -ATOM 221 C3Z TOP A 1 23.946 21.978 13.400 0.00 1.00 -ATOM 222 C3a TOP A 1 23.946 21.978 16.750 0.00 1.00 -ATOM 223 C3b TOP A 1 22.718 24.105 10.050 0.00 1.00 -ATOM 224 C3c TOP A 1 22.718 24.105 13.400 0.00 1.00 -ATOM 225 C3d TOP A 1 22.718 24.105 16.750 0.00 1.00 -ATOM 226 C3e TOP A 1 21.490 26.232 10.050 0.00 1.00 -ATOM 227 C3f TOP A 1 21.490 26.232 13.400 0.00 1.00 -ATOM 228 C3g TOP A 1 21.490 26.232 16.750 0.00 1.00 -ATOM 229 C3h TOP A 1 20.262 28.359 10.050 0.00 1.00 -ATOM 230 C3i TOP A 1 20.262 28.359 13.400 0.00 1.00 -ATOM 231 C3j TOP A 1 20.262 28.359 16.750 0.00 1.00 -ATOM 232 C3k TOP A 1 19.034 0.709 10.050 0.00 1.00 -ATOM 233 C3l TOP A 1 19.034 0.709 13.400 0.00 1.00 -ATOM 234 C3m TOP A 1 19.034 0.709 16.750 0.00 1.00 -ATOM 235 C3n TOP A 1 17.806 2.836 10.050 0.00 1.00 -ATOM 236 C3o TOP A 1 17.806 2.836 13.400 0.00 1.00 -ATOM 237 C3p TOP A 1 17.806 2.836 16.750 0.00 1.00 -ATOM 238 C3q TOP A 1 16.578 4.963 10.050 0.00 1.00 -ATOM 239 C3r TOP A 1 16.578 4.963 13.400 0.00 1.00 -ATOM 240 C3s TOP A 1 16.578 4.963 16.750 0.00 1.00 -ATOM 241 C3t TOP A 1 15.350 7.090 10.050 0.00 1.00 -ATOM 242 C3u TOP A 1 15.350 7.090 13.400 0.00 1.00 -ATOM 243 C3v TOP A 1 15.350 7.090 16.750 0.00 1.00 -ATOM 244 C3w TOP A 1 14.122 9.217 10.050 0.00 1.00 -ATOM 245 C3x TOP A 1 14.122 9.217 13.400 0.00 1.00 -ATOM 246 C3y TOP A 1 14.122 9.217 16.750 0.00 1.00 -ATOM 247 C3z TOP A 1 12.894 11.344 10.050 0.00 1.00 -ATOM 248 C40 TOP A 1 12.894 11.344 13.400 0.00 1.00 -ATOM 249 C41 TOP A 1 12.894 11.344 16.750 0.00 1.00 -ATOM 250 C42 TOP A 1 11.666 13.471 10.050 0.00 1.00 -ATOM 251 C43 TOP A 1 11.666 13.471 13.400 0.00 1.00 -ATOM 252 C44 TOP A 1 11.666 13.471 16.750 0.00 1.00 -ATOM 253 C45 TOP A 1 0.614 15.597 10.050 0.00 1.00 -ATOM 254 C46 TOP A 1 0.614 15.597 13.400 0.00 1.00 -ATOM 255 C47 TOP A 1 0.614 15.597 16.750 0.00 1.00 -ATOM 256 C48 TOP A 1 28.858 17.724 10.050 0.00 1.00 -ATOM 257 C49 TOP A 1 28.858 17.724 13.400 0.00 1.00 -ATOM 258 C4A TOP A 1 28.858 17.724 16.750 0.00 1.00 -ATOM 259 C4B TOP A 1 27.630 19.851 10.050 0.00 1.00 -ATOM 260 C4C TOP A 1 27.630 19.851 13.400 0.00 1.00 -ATOM 261 C4D TOP A 1 27.630 19.851 16.750 0.00 1.00 -ATOM 262 C4E TOP A 1 26.402 21.978 10.050 0.00 1.00 -ATOM 263 C4F TOP A 1 26.402 21.978 13.400 0.00 1.00 -ATOM 264 C4G TOP A 1 26.402 21.978 16.750 0.00 1.00 -ATOM 265 C4H TOP A 1 25.174 24.105 10.050 0.00 1.00 -ATOM 266 C4I TOP A 1 25.174 24.105 13.400 0.00 1.00 -ATOM 267 C4J TOP A 1 25.174 24.105 16.750 0.00 1.00 -ATOM 268 C4K TOP A 1 23.946 26.232 10.050 0.00 1.00 -ATOM 269 C4L TOP A 1 23.946 26.232 13.400 0.00 1.00 -ATOM 270 C4M TOP A 1 23.946 26.232 16.750 0.00 1.00 -ATOM 271 C4N TOP A 1 22.718 28.359 10.050 0.00 1.00 -ATOM 272 C4O TOP A 1 22.718 28.359 13.400 0.00 1.00 -ATOM 273 C4P TOP A 1 22.718 28.359 16.750 0.00 1.00 -ATOM 274 C4Q TOP A 1 21.490 0.709 10.050 0.00 1.00 -ATOM 275 C4R TOP A 1 21.490 0.709 13.400 0.00 1.00 -ATOM 276 C4S TOP A 1 21.490 0.709 16.750 0.00 1.00 -ATOM 277 C4T TOP A 1 20.262 2.836 10.050 0.00 1.00 -ATOM 278 C4U TOP A 1 20.262 2.836 13.400 0.00 1.00 -ATOM 279 C4V TOP A 1 20.262 2.836 16.750 0.00 1.00 -ATOM 280 C4W TOP A 1 19.034 4.963 10.050 0.00 1.00 -ATOM 281 C4X TOP A 1 19.034 4.963 13.400 0.00 1.00 -ATOM 282 C4Y TOP A 1 19.034 4.963 16.750 0.00 1.00 -ATOM 283 C4Z TOP A 1 17.806 7.090 10.050 0.00 1.00 -ATOM 284 C4a TOP A 1 17.806 7.090 13.400 0.00 1.00 -ATOM 285 C4b TOP A 1 17.806 7.090 16.750 0.00 1.00 -ATOM 286 C4c TOP A 1 16.578 9.217 10.050 0.00 1.00 -ATOM 287 C4d TOP A 1 16.578 9.217 13.400 0.00 1.00 -ATOM 288 C4e TOP A 1 16.578 9.217 16.750 0.00 1.00 -ATOM 289 C4f TOP A 1 15.350 11.344 10.050 0.00 1.00 -ATOM 290 C4g TOP A 1 15.350 11.344 13.400 0.00 1.00 -ATOM 291 C4h TOP A 1 15.350 11.344 16.750 0.00 1.00 -ATOM 292 C4i TOP A 1 14.122 13.471 10.050 0.00 1.00 -ATOM 293 C4j TOP A 1 14.122 13.471 13.400 0.00 1.00 -ATOM 294 C4k TOP A 1 14.122 13.471 16.750 0.00 1.00 -ATOM 295 C4l TOP A 1 3.070 15.597 10.050 0.00 1.00 -ATOM 296 C4m TOP A 1 3.070 15.597 13.400 0.00 1.00 -ATOM 297 C4n TOP A 1 3.070 15.597 16.750 0.00 1.00 -ATOM 298 C4o TOP A 1 1.842 17.724 10.050 0.00 1.00 -ATOM 299 C4p TOP A 1 1.842 17.724 13.400 0.00 1.00 -ATOM 300 C4q TOP A 1 1.842 17.724 16.750 0.00 1.00 -ATOM 301 C4r TOP A 1 0.614 19.851 10.050 0.00 1.00 -ATOM 302 C4s TOP A 1 0.614 19.851 13.400 0.00 1.00 -ATOM 303 C4t TOP A 1 0.614 19.851 16.750 0.00 1.00 -ATOM 304 C4u TOP A 1 28.858 21.978 10.050 0.00 1.00 -ATOM 305 C4v TOP A 1 28.858 21.978 13.400 0.00 1.00 -ATOM 306 C4w TOP A 1 28.858 21.978 16.750 0.00 1.00 -ATOM 307 C4x TOP A 1 27.630 24.105 10.050 0.00 1.00 -ATOM 308 C4y TOP A 1 27.630 24.105 13.400 0.00 1.00 -ATOM 309 C4z TOP A 1 27.630 24.105 16.750 0.00 1.00 -ATOM 310 C50 TOP A 1 26.402 26.232 10.050 0.00 1.00 -ATOM 311 C51 TOP A 1 26.402 26.232 13.400 0.00 1.00 -ATOM 312 C52 TOP A 1 26.402 26.232 16.750 0.00 1.00 -ATOM 313 C53 TOP A 1 25.174 28.359 10.050 0.00 1.00 -ATOM 314 C54 TOP A 1 25.174 28.359 13.400 0.00 1.00 -ATOM 315 C55 TOP A 1 25.174 28.359 16.750 0.00 1.00 -ATOM 316 C56 TOP A 1 23.946 0.709 10.050 0.00 1.00 -ATOM 317 C57 TOP A 1 23.946 0.709 13.400 0.00 1.00 -ATOM 318 C58 TOP A 1 23.946 0.709 16.750 0.00 1.00 -ATOM 319 C59 TOP A 1 22.718 2.836 10.050 0.00 1.00 -ATOM 320 C5A TOP A 1 22.718 2.836 13.400 0.00 1.00 -ATOM 321 C5B TOP A 1 22.718 2.836 16.750 0.00 1.00 -ATOM 322 C5C TOP A 1 21.490 4.963 10.050 0.00 1.00 -ATOM 323 C5D TOP A 1 21.490 4.963 13.400 0.00 1.00 -ATOM 324 C5E TOP A 1 21.490 4.963 16.750 0.00 1.00 -ATOM 325 C5F TOP A 1 20.262 7.090 10.050 0.00 1.00 -ATOM 326 C5G TOP A 1 20.262 7.090 13.400 0.00 1.00 -ATOM 327 C5H TOP A 1 20.262 7.090 16.750 0.00 1.00 -ATOM 328 C5I TOP A 1 19.034 9.217 10.050 0.00 1.00 -ATOM 329 C5J TOP A 1 19.034 9.217 13.400 0.00 1.00 -ATOM 330 C5K TOP A 1 19.034 9.217 16.750 0.00 1.00 -ATOM 331 C5L TOP A 1 17.806 11.344 10.050 0.00 1.00 -ATOM 332 C5M TOP A 1 17.806 11.344 13.400 0.00 1.00 -ATOM 333 C5N TOP A 1 17.806 11.344 16.750 0.00 1.00 -ATOM 334 C5O TOP A 1 16.578 13.471 10.050 0.00 1.00 -ATOM 335 C5P TOP A 1 16.578 13.471 13.400 0.00 1.00 -ATOM 336 C5Q TOP A 1 16.578 13.471 16.750 0.00 1.00 -ATOM 337 C5R TOP A 1 5.526 15.597 10.050 0.00 1.00 -ATOM 338 C5S TOP A 1 5.526 15.597 13.400 0.00 1.00 -ATOM 339 C5T TOP A 1 5.526 15.597 16.750 0.00 1.00 -ATOM 340 C5U TOP A 1 4.298 17.724 10.050 0.00 1.00 -ATOM 341 C5V TOP A 1 4.298 17.724 13.400 0.00 1.00 -ATOM 342 C5W TOP A 1 4.298 17.724 16.750 0.00 1.00 -ATOM 343 C5X TOP A 1 3.070 19.851 10.050 0.00 1.00 -ATOM 344 C5Y TOP A 1 3.070 19.851 13.400 0.00 1.00 -ATOM 345 C5Z TOP A 1 3.070 19.851 16.750 0.00 1.00 -ATOM 346 C5a TOP A 1 1.842 21.978 10.050 0.00 1.00 -ATOM 347 C5b TOP A 1 1.842 21.978 13.400 0.00 1.00 -ATOM 348 C5c TOP A 1 1.842 21.978 16.750 0.00 1.00 -ATOM 349 C5d TOP A 1 0.614 24.105 10.050 0.00 1.00 -ATOM 350 C5e TOP A 1 0.614 24.105 13.400 0.00 1.00 -ATOM 351 C5f TOP A 1 0.614 24.105 16.750 0.00 1.00 -ATOM 352 C5g TOP A 1 28.858 26.232 10.050 0.00 1.00 -ATOM 353 C5h TOP A 1 28.858 26.232 13.400 0.00 1.00 -ATOM 354 C5i TOP A 1 28.858 26.232 16.750 0.00 1.00 -ATOM 355 C5j TOP A 1 27.630 28.359 10.050 0.00 1.00 -ATOM 356 C5k TOP A 1 27.630 28.359 13.400 0.00 1.00 -ATOM 357 C5l TOP A 1 27.630 28.359 16.750 0.00 1.00 -ATOM 358 C5m TOP A 1 26.402 0.709 10.050 0.00 1.00 -ATOM 359 C5n TOP A 1 26.402 0.709 13.400 0.00 1.00 -ATOM 360 C5o TOP A 1 26.402 0.709 16.750 0.00 1.00 -ATOM 361 C5p TOP A 1 25.174 2.836 10.050 0.00 1.00 -ATOM 362 C5q TOP A 1 25.174 2.836 13.400 0.00 1.00 -ATOM 363 C5r TOP A 1 25.174 2.836 16.750 0.00 1.00 -ATOM 364 C5s TOP A 1 23.946 4.963 10.050 0.00 1.00 -ATOM 365 C5t TOP A 1 23.946 4.963 13.400 0.00 1.00 -ATOM 366 C5u TOP A 1 23.946 4.963 16.750 0.00 1.00 -ATOM 367 C5v TOP A 1 22.718 7.090 10.050 0.00 1.00 -ATOM 368 C5w TOP A 1 22.718 7.090 13.400 0.00 1.00 -ATOM 369 C5x TOP A 1 22.718 7.090 16.750 0.00 1.00 -ATOM 370 C5y TOP A 1 21.490 9.217 10.050 0.00 1.00 -ATOM 371 C5z TOP A 1 21.490 9.217 13.400 0.00 1.00 -ATOM 372 C60 TOP A 1 21.490 9.217 16.750 0.00 1.00 -ATOM 373 C61 TOP A 1 20.262 11.344 10.050 0.00 1.00 -ATOM 374 C62 TOP A 1 20.262 11.344 13.400 0.00 1.00 -ATOM 375 C63 TOP A 1 20.262 11.344 16.750 0.00 1.00 -ATOM 376 C64 TOP A 1 19.034 13.471 10.050 0.00 1.00 -ATOM 377 C65 TOP A 1 19.034 13.471 13.400 0.00 1.00 -ATOM 378 C66 TOP A 1 19.034 13.471 16.750 0.00 1.00 -ATOM 379 C67 TOP A 1 7.982 15.597 10.050 0.00 1.00 -ATOM 380 C68 TOP A 1 7.982 15.597 13.400 0.00 1.00 -ATOM 381 C69 TOP A 1 7.982 15.597 16.750 0.00 1.00 -ATOM 382 C6A TOP A 1 6.754 17.724 10.050 0.00 1.00 -ATOM 383 C6B TOP A 1 6.754 17.724 13.400 0.00 1.00 -ATOM 384 C6C TOP A 1 6.754 17.724 16.750 0.00 1.00 -ATOM 385 C6D TOP A 1 5.526 19.851 10.050 0.00 1.00 -ATOM 386 C6E TOP A 1 5.526 19.851 13.400 0.00 1.00 -ATOM 387 C6F TOP A 1 5.526 19.851 16.750 0.00 1.00 -ATOM 388 C6G TOP A 1 4.298 21.978 10.050 0.00 1.00 -ATOM 389 C6H TOP A 1 4.298 21.978 13.400 0.00 1.00 -ATOM 390 C6I TOP A 1 4.298 21.978 16.750 0.00 1.00 -ATOM 391 C6J TOP A 1 3.070 24.105 10.050 0.00 1.00 -ATOM 392 C6K TOP A 1 3.070 24.105 13.400 0.00 1.00 -ATOM 393 C6L TOP A 1 3.070 24.105 16.750 0.00 1.00 -ATOM 394 C6M TOP A 1 1.842 26.232 10.050 0.00 1.00 -ATOM 395 C6N TOP A 1 1.842 26.232 13.400 0.00 1.00 -ATOM 396 C6O TOP A 1 1.842 26.232 16.750 0.00 1.00 -ATOM 397 C6P TOP A 1 0.614 28.359 10.050 0.00 1.00 -ATOM 398 C6Q TOP A 1 0.614 28.359 13.400 0.00 1.00 -ATOM 399 C6R TOP A 1 0.614 28.359 16.750 0.00 1.00 -ATOM 400 C6S TOP A 1 28.858 0.709 10.050 0.00 1.00 -ATOM 401 C6T TOP A 1 28.858 0.709 13.400 0.00 1.00 -ATOM 402 C6U TOP A 1 28.858 0.709 16.750 0.00 1.00 -ATOM 403 C6V TOP A 1 27.630 2.836 10.050 0.00 1.00 -ATOM 404 C6W TOP A 1 27.630 2.836 13.400 0.00 1.00 -ATOM 405 C6X TOP A 1 27.630 2.836 16.750 0.00 1.00 -ATOM 406 C6Y TOP A 1 26.402 4.963 10.050 0.00 1.00 -ATOM 407 C6Z TOP A 1 26.402 4.963 13.400 0.00 1.00 -ATOM 408 C6a TOP A 1 26.402 4.963 16.750 0.00 1.00 -ATOM 409 C6b TOP A 1 25.174 7.090 10.050 0.00 1.00 -ATOM 410 C6c TOP A 1 25.174 7.090 13.400 0.00 1.00 -ATOM 411 C6d TOP A 1 25.174 7.090 16.750 0.00 1.00 -ATOM 412 C6e TOP A 1 23.946 9.217 10.050 0.00 1.00 -ATOM 413 C6f TOP A 1 23.946 9.217 13.400 0.00 1.00 -ATOM 414 C6g TOP A 1 23.946 9.217 16.750 0.00 1.00 -ATOM 415 C6h TOP A 1 22.718 11.344 10.050 0.00 1.00 -ATOM 416 C6i TOP A 1 22.718 11.344 13.400 0.00 1.00 -ATOM 417 C6j TOP A 1 22.718 11.344 16.750 0.00 1.00 -ATOM 418 C6k TOP A 1 21.490 13.471 10.050 0.00 1.00 -ATOM 419 C6l TOP A 1 21.490 13.471 13.400 0.00 1.00 -ATOM 420 C6m TOP A 1 21.490 13.471 16.750 0.00 1.00 -ATOM 421 C6n TOP A 1 10.438 15.597 10.050 0.00 1.00 -ATOM 422 C6o TOP A 1 10.438 15.597 13.400 0.00 1.00 -ATOM 423 C6p TOP A 1 10.438 15.597 16.750 0.00 1.00 -ATOM 424 C6q TOP A 1 9.210 17.724 10.050 0.00 1.00 -ATOM 425 C6r TOP A 1 9.210 17.724 13.400 0.00 1.00 -ATOM 426 C6s TOP A 1 9.210 17.724 16.750 0.00 1.00 -ATOM 427 C6t TOP A 1 7.982 19.851 10.050 0.00 1.00 -ATOM 428 C6u TOP A 1 7.982 19.851 13.400 0.00 1.00 -ATOM 429 C6v TOP A 1 7.982 19.851 16.750 0.00 1.00 -ATOM 430 C6w TOP A 1 6.754 21.978 10.050 0.00 1.00 -ATOM 431 C6x TOP A 1 6.754 21.978 13.400 0.00 1.00 -ATOM 432 C6y TOP A 1 6.754 21.978 16.750 0.00 1.00 -ATOM 433 C6z TOP A 1 5.526 24.105 10.050 0.00 1.00 -ATOM 434 C70 TOP A 1 5.526 24.105 13.400 0.00 1.00 -ATOM 435 C71 TOP A 1 5.526 24.105 16.750 0.00 1.00 -ATOM 436 C72 TOP A 1 4.298 26.232 10.050 0.00 1.00 -ATOM 437 C73 TOP A 1 4.298 26.232 13.400 0.00 1.00 -ATOM 438 C74 TOP A 1 4.298 26.232 16.750 0.00 1.00 -ATOM 439 C75 TOP A 1 3.070 28.359 10.050 0.00 1.00 -ATOM 440 C76 TOP A 1 3.070 28.359 13.400 0.00 1.00 -ATOM 441 C77 TOP A 1 3.070 28.359 16.750 0.00 1.00 -ATOM 442 C78 TOP A 1 1.842 0.709 10.050 0.00 1.00 -ATOM 443 C79 TOP A 1 1.842 0.709 13.400 0.00 1.00 -ATOM 444 C7A TOP A 1 1.842 0.709 16.750 0.00 1.00 -ATOM 445 C7B TOP A 1 0.614 2.836 10.050 0.00 1.00 -ATOM 446 C7C TOP A 1 0.614 2.836 13.400 0.00 1.00 -ATOM 447 C7D TOP A 1 0.614 2.836 16.750 0.00 1.00 -ATOM 448 C7E TOP A 1 28.858 4.963 10.050 0.00 1.00 -ATOM 449 C7F TOP A 1 28.858 4.963 13.400 0.00 1.00 -ATOM 450 C7G TOP A 1 28.858 4.963 16.750 0.00 1.00 -ATOM 451 C7H TOP A 1 27.630 7.090 10.050 0.00 1.00 -ATOM 452 C7I TOP A 1 27.630 7.090 13.400 0.00 1.00 -ATOM 453 C7J TOP A 1 27.630 7.090 16.750 0.00 1.00 -ATOM 454 C7K TOP A 1 26.402 9.217 10.050 0.00 1.00 -ATOM 455 C7L TOP A 1 26.402 9.217 13.400 0.00 1.00 -ATOM 456 C7M TOP A 1 26.402 9.217 16.750 0.00 1.00 -ATOM 457 C7N TOP A 1 25.174 11.344 10.050 0.00 1.00 -ATOM 458 C7O TOP A 1 25.174 11.344 13.400 0.00 1.00 -ATOM 459 C7P TOP A 1 25.174 11.344 16.750 0.00 1.00 -ATOM 460 C7Q TOP A 1 23.946 13.471 10.050 0.00 1.00 -ATOM 461 C7R TOP A 1 23.946 13.471 13.400 0.00 1.00 -ATOM 462 C7S TOP A 1 23.946 13.471 16.750 0.00 1.00 -ATOM 463 C7T TOP A 1 12.894 15.597 10.050 0.00 1.00 -ATOM 464 C7U TOP A 1 12.894 15.597 13.400 0.00 1.00 -ATOM 465 C7V TOP A 1 12.894 15.597 16.750 0.00 1.00 -ATOM 466 C7W TOP A 1 11.666 17.724 10.050 0.00 1.00 -ATOM 467 C7X TOP A 1 11.666 17.724 13.400 0.00 1.00 -ATOM 468 C7Y TOP A 1 11.666 17.724 16.750 0.00 1.00 -ATOM 469 C7Z TOP A 1 10.438 19.851 10.050 0.00 1.00 -ATOM 470 C7a TOP A 1 10.438 19.851 13.400 0.00 1.00 -ATOM 471 C7b TOP A 1 10.438 19.851 16.750 0.00 1.00 -ATOM 472 C7c TOP A 1 9.210 21.978 10.050 0.00 1.00 -ATOM 473 C7d TOP A 1 9.210 21.978 13.400 0.00 1.00 -ATOM 474 C7e TOP A 1 9.210 21.978 16.750 0.00 1.00 -ATOM 475 C7f TOP A 1 7.982 24.105 10.050 0.00 1.00 -ATOM 476 C7g TOP A 1 7.982 24.105 13.400 0.00 1.00 -ATOM 477 C7h TOP A 1 7.982 24.105 16.750 0.00 1.00 -ATOM 478 C7i TOP A 1 6.754 26.232 10.050 0.00 1.00 -ATOM 479 C7j TOP A 1 6.754 26.232 13.400 0.00 1.00 -ATOM 480 C7k TOP A 1 6.754 26.232 16.750 0.00 1.00 -ATOM 481 C7l TOP A 1 5.526 28.359 10.050 0.00 1.00 -ATOM 482 C7m TOP A 1 5.526 28.359 13.400 0.00 1.00 -ATOM 483 C7n TOP A 1 5.526 28.359 16.750 0.00 1.00 -ATOM 484 C7o TOP A 1 4.298 0.709 10.050 0.00 1.00 -ATOM 485 C7p TOP A 1 4.298 0.709 13.400 0.00 1.00 -ATOM 486 C7q TOP A 1 4.298 0.709 16.750 0.00 1.00 -ATOM 487 C7r TOP A 1 3.070 2.836 10.050 0.00 1.00 -ATOM 488 C7s TOP A 1 3.070 2.836 13.400 0.00 1.00 -ATOM 489 C7t TOP A 1 3.070 2.836 16.750 0.00 1.00 -ATOM 490 C7u TOP A 1 1.842 4.963 10.050 0.00 1.00 -ATOM 491 C7v TOP A 1 1.842 4.963 13.400 0.00 1.00 -ATOM 492 C7w TOP A 1 1.842 4.963 16.750 0.00 1.00 -ATOM 493 C7x TOP A 1 0.614 7.090 10.050 0.00 1.00 -ATOM 494 C7y TOP A 1 0.614 7.090 13.400 0.00 1.00 -ATOM 495 C7z TOP A 1 0.614 7.090 16.750 0.00 1.00 -ATOM 496 C80 TOP A 1 28.858 9.217 10.050 0.00 1.00 -ATOM 497 C81 TOP A 1 28.858 9.217 13.400 0.00 1.00 -ATOM 498 C82 TOP A 1 28.858 9.217 16.750 0.00 1.00 -ATOM 499 C83 TOP A 1 27.630 11.344 10.050 0.00 1.00 -ATOM 500 C84 TOP A 1 27.630 11.344 13.400 0.00 1.00 -ATOM 501 C85 TOP A 1 27.630 11.344 16.750 0.00 1.00 -ATOM 502 C86 TOP A 1 26.402 13.471 10.050 0.00 1.00 -ATOM 503 C87 TOP A 1 26.402 13.471 13.400 0.00 1.00 -ATOM 504 C88 TOP A 1 26.402 13.471 16.750 0.00 1.00 -ATOM 505 C89 TOP A 1 16.578 16.306 10.050 0.00 1.00 -ATOM 506 C8A TOP A 1 16.578 16.306 13.400 0.00 1.00 -ATOM 507 C8B TOP A 1 16.578 16.306 16.750 0.00 1.00 -ATOM 508 C8C TOP A 1 15.350 18.433 10.050 0.00 1.00 -ATOM 509 C8D TOP A 1 15.350 18.433 13.400 0.00 1.00 -ATOM 510 C8E TOP A 1 15.350 18.433 16.750 0.00 1.00 -ATOM 511 C8F TOP A 1 14.122 20.560 10.050 0.00 1.00 -ATOM 512 C8G TOP A 1 14.122 20.560 13.400 0.00 1.00 -ATOM 513 C8H TOP A 1 14.122 20.560 16.750 0.00 1.00 -ATOM 514 C8I TOP A 1 12.894 22.687 10.050 0.00 1.00 -ATOM 515 C8J TOP A 1 12.894 22.687 13.400 0.00 1.00 -ATOM 516 C8K TOP A 1 12.894 22.687 16.750 0.00 1.00 -ATOM 517 C8L TOP A 1 11.666 24.814 10.050 0.00 1.00 -ATOM 518 C8M TOP A 1 11.666 24.814 13.400 0.00 1.00 -ATOM 519 C8N TOP A 1 11.666 24.814 16.750 0.00 1.00 -ATOM 520 C8O TOP A 1 10.438 26.941 10.050 0.00 1.00 -ATOM 521 C8P TOP A 1 10.438 26.941 13.400 0.00 1.00 -ATOM 522 C8Q TOP A 1 10.438 26.941 16.750 0.00 1.00 -ATOM 523 C8R TOP A 1 9.210 29.068 10.050 0.00 1.00 -ATOM 524 C8S TOP A 1 9.210 29.068 13.400 0.00 1.00 -ATOM 525 C8T TOP A 1 9.210 29.068 16.750 0.00 1.00 -ATOM 526 C8U TOP A 1 7.982 1.418 10.050 0.00 1.00 -ATOM 527 C8V TOP A 1 7.982 1.418 13.400 0.00 1.00 -ATOM 528 C8W TOP A 1 7.982 1.418 16.750 0.00 1.00 -ATOM 529 C8X TOP A 1 6.754 3.545 10.050 0.00 1.00 -ATOM 530 C8Y TOP A 1 6.754 3.545 13.400 0.00 1.00 -ATOM 531 C8Z TOP A 1 6.754 3.545 16.750 0.00 1.00 -ATOM 532 C8a TOP A 1 5.526 5.672 10.050 0.00 1.00 -ATOM 533 C8b TOP A 1 5.526 5.672 13.400 0.00 1.00 -ATOM 534 C8c TOP A 1 5.526 5.672 16.750 0.00 1.00 -ATOM 535 C8d TOP A 1 4.298 7.799 10.050 0.00 1.00 -ATOM 536 C8e TOP A 1 4.298 7.799 13.400 0.00 1.00 -ATOM 537 C8f TOP A 1 4.298 7.799 16.750 0.00 1.00 -ATOM 538 C8g TOP A 1 3.070 9.926 10.050 0.00 1.00 -ATOM 539 C8h TOP A 1 3.070 9.926 13.400 0.00 1.00 -ATOM 540 C8i TOP A 1 3.070 9.926 16.750 0.00 1.00 -ATOM 541 C8j TOP A 1 1.842 12.053 10.050 0.00 1.00 -ATOM 542 C8k TOP A 1 1.842 12.053 13.400 0.00 1.00 -ATOM 543 C8l TOP A 1 1.842 12.053 16.750 0.00 1.00 -ATOM 544 C8m TOP A 1 0.614 14.180 10.050 0.00 1.00 -ATOM 545 C8n TOP A 1 0.614 14.180 13.400 0.00 1.00 -ATOM 546 C8o TOP A 1 0.614 14.180 16.750 0.00 1.00 -ATOM 547 C8p TOP A 1 19.034 16.306 10.050 0.00 1.00 -ATOM 548 C8q TOP A 1 19.034 16.306 13.400 0.00 1.00 -ATOM 549 C8r TOP A 1 19.034 16.306 16.750 0.00 1.00 -ATOM 550 C8s TOP A 1 17.806 18.433 10.050 0.00 1.00 -ATOM 551 C8t TOP A 1 17.806 18.433 13.400 0.00 1.00 -ATOM 552 C8u TOP A 1 17.806 18.433 16.750 0.00 1.00 -ATOM 553 C8v TOP A 1 16.578 20.560 10.050 0.00 1.00 -ATOM 554 C8w TOP A 1 16.578 20.560 13.400 0.00 1.00 -ATOM 555 C8x TOP A 1 16.578 20.560 16.750 0.00 1.00 -ATOM 556 C8y TOP A 1 15.350 22.687 10.050 0.00 1.00 -ATOM 557 C8z TOP A 1 15.350 22.687 13.400 0.00 1.00 -ATOM 558 C90 TOP A 1 15.350 22.687 16.750 0.00 1.00 -ATOM 559 C91 TOP A 1 14.122 24.814 10.050 0.00 1.00 -ATOM 560 C92 TOP A 1 14.122 24.814 13.400 0.00 1.00 -ATOM 561 C93 TOP A 1 14.122 24.814 16.750 0.00 1.00 -ATOM 562 C94 TOP A 1 12.894 26.941 10.050 0.00 1.00 -ATOM 563 C95 TOP A 1 12.894 26.941 13.400 0.00 1.00 -ATOM 564 C96 TOP A 1 12.894 26.941 16.750 0.00 1.00 -ATOM 565 C97 TOP A 1 11.666 29.068 10.050 0.00 1.00 -ATOM 566 C98 TOP A 1 11.666 29.068 13.400 0.00 1.00 -ATOM 567 C99 TOP A 1 11.666 29.068 16.750 0.00 1.00 -ATOM 568 C9A TOP A 1 10.438 1.418 10.050 0.00 1.00 -ATOM 569 C9B TOP A 1 10.438 1.418 13.400 0.00 1.00 -ATOM 570 C9C TOP A 1 10.438 1.418 16.750 0.00 1.00 -ATOM 571 C9D TOP A 1 9.210 3.545 10.050 0.00 1.00 -ATOM 572 C9E TOP A 1 9.210 3.545 13.400 0.00 1.00 -ATOM 573 C9F TOP A 1 9.210 3.545 16.750 0.00 1.00 -ATOM 574 C9G TOP A 1 7.982 5.672 10.050 0.00 1.00 -ATOM 575 C9H TOP A 1 7.982 5.672 13.400 0.00 1.00 -ATOM 576 C9I TOP A 1 7.982 5.672 16.750 0.00 1.00 -ATOM 577 C9J TOP A 1 6.754 7.799 10.050 0.00 1.00 -ATOM 578 C9K TOP A 1 6.754 7.799 13.400 0.00 1.00 -ATOM 579 C9L TOP A 1 6.754 7.799 16.750 0.00 1.00 -ATOM 580 C9M TOP A 1 5.526 9.926 10.050 0.00 1.00 -ATOM 581 C9N TOP A 1 5.526 9.926 13.400 0.00 1.00 -ATOM 582 C9O TOP A 1 5.526 9.926 16.750 0.00 1.00 -ATOM 583 C9P TOP A 1 4.298 12.053 10.050 0.00 1.00 -ATOM 584 C9Q TOP A 1 4.298 12.053 13.400 0.00 1.00 -ATOM 585 C9R TOP A 1 4.298 12.053 16.750 0.00 1.00 -ATOM 586 C9S TOP A 1 3.070 14.180 10.050 0.00 1.00 -ATOM 587 C9T TOP A 1 3.070 14.180 13.400 0.00 1.00 -ATOM 588 C9U TOP A 1 3.070 14.180 16.750 0.00 1.00 -ATOM 589 C9V TOP A 1 21.490 16.306 10.050 0.00 1.00 -ATOM 590 C9W TOP A 1 21.490 16.306 13.400 0.00 1.00 -ATOM 591 C9X TOP A 1 21.490 16.306 16.750 0.00 1.00 -ATOM 592 C9Y TOP A 1 20.262 18.433 10.050 0.00 1.00 -ATOM 593 C9Z TOP A 1 20.262 18.433 13.400 0.00 1.00 -ATOM 594 C9a TOP A 1 20.262 18.433 16.750 0.00 1.00 -ATOM 595 C9b TOP A 1 19.034 20.560 10.050 0.00 1.00 -ATOM 596 C9c TOP A 1 19.034 20.560 13.400 0.00 1.00 -ATOM 597 C9d TOP A 1 19.034 20.560 16.750 0.00 1.00 -ATOM 598 C9e TOP A 1 17.806 22.687 10.050 0.00 1.00 -ATOM 599 C9f TOP A 1 17.806 22.687 13.400 0.00 1.00 -ATOM 600 C9g TOP A 1 17.806 22.687 16.750 0.00 1.00 -ATOM 601 C9h TOP A 1 16.578 24.814 10.050 0.00 1.00 -ATOM 602 C9i TOP A 1 16.578 24.814 13.400 0.00 1.00 -ATOM 603 C9j TOP A 1 16.578 24.814 16.750 0.00 1.00 -ATOM 604 C9k TOP A 1 15.350 26.941 10.050 0.00 1.00 -ATOM 605 C9l TOP A 1 15.350 26.941 13.400 0.00 1.00 -ATOM 606 C9m TOP A 1 15.350 26.941 16.750 0.00 1.00 -ATOM 607 C9n TOP A 1 14.122 29.068 10.050 0.00 1.00 -ATOM 608 C9o TOP A 1 14.122 29.068 13.400 0.00 1.00 -ATOM 609 C9p TOP A 1 14.122 29.068 16.750 0.00 1.00 -ATOM 610 C9q TOP A 1 12.894 1.418 10.050 0.00 1.00 -ATOM 611 C9r TOP A 1 12.894 1.418 13.400 0.00 1.00 -ATOM 612 C9s TOP A 1 12.894 1.418 16.750 0.00 1.00 -ATOM 613 C9t TOP A 1 11.666 3.545 10.050 0.00 1.00 -ATOM 614 C9u TOP A 1 11.666 3.545 13.400 0.00 1.00 -ATOM 615 C9v TOP A 1 11.666 3.545 16.750 0.00 1.00 -ATOM 616 C9w TOP A 1 10.438 5.672 10.050 0.00 1.00 -ATOM 617 C9x TOP A 1 10.438 5.672 13.400 0.00 1.00 -ATOM 618 C9y TOP A 1 10.438 5.672 16.750 0.00 1.00 -ATOM 619 C9z TOP A 1 9.210 7.799 10.050 0.00 1.00 -ATOM 620 CA0 TOP A 1 9.210 7.799 13.400 0.00 1.00 -ATOM 621 CA1 TOP A 1 9.210 7.799 16.750 0.00 1.00 -ATOM 622 CA2 TOP A 1 7.982 9.926 10.050 0.00 1.00 -ATOM 623 CA3 TOP A 1 7.982 9.926 13.400 0.00 1.00 -ATOM 624 CA4 TOP A 1 7.982 9.926 16.750 0.00 1.00 -ATOM 625 CA5 TOP A 1 6.754 12.053 10.050 0.00 1.00 -ATOM 626 CA6 TOP A 1 6.754 12.053 13.400 0.00 1.00 -ATOM 627 CA7 TOP A 1 6.754 12.053 16.750 0.00 1.00 -ATOM 628 CA8 TOP A 1 5.526 14.180 10.050 0.00 1.00 -ATOM 629 CA9 TOP A 1 5.526 14.180 13.400 0.00 1.00 -ATOM 630 CAA TOP A 1 5.526 14.180 16.750 0.00 1.00 -ATOM 631 CAB TOP A 1 23.946 16.306 10.050 0.00 1.00 -ATOM 632 CAC TOP A 1 23.946 16.306 13.400 0.00 1.00 -ATOM 633 CAD TOP A 1 23.946 16.306 16.750 0.00 1.00 -ATOM 634 CAE TOP A 1 22.718 18.433 10.050 0.00 1.00 -ATOM 635 CAF TOP A 1 22.718 18.433 13.400 0.00 1.00 -ATOM 636 CAG TOP A 1 22.718 18.433 16.750 0.00 1.00 -ATOM 637 CAH TOP A 1 21.490 20.560 10.050 0.00 1.00 -ATOM 638 CAI TOP A 1 21.490 20.560 13.400 0.00 1.00 -ATOM 639 CAJ TOP A 1 21.490 20.560 16.750 0.00 1.00 -ATOM 640 CAK TOP A 1 20.262 22.687 10.050 0.00 1.00 -ATOM 641 CAL TOP A 1 20.262 22.687 13.400 0.00 1.00 -ATOM 642 CAM TOP A 1 20.262 22.687 16.750 0.00 1.00 -ATOM 643 CAN TOP A 1 19.034 24.814 10.050 0.00 1.00 -ATOM 644 CAO TOP A 1 19.034 24.814 13.400 0.00 1.00 -ATOM 645 CAP TOP A 1 19.034 24.814 16.750 0.00 1.00 -ATOM 646 CAQ TOP A 1 17.806 26.941 10.050 0.00 1.00 -ATOM 647 CAR TOP A 1 17.806 26.941 13.400 0.00 1.00 -ATOM 648 CAS TOP A 1 17.806 26.941 16.750 0.00 1.00 -ATOM 649 CAT TOP A 1 16.578 29.068 10.050 0.00 1.00 -ATOM 650 CAU TOP A 1 16.578 29.068 13.400 0.00 1.00 -ATOM 651 CAV TOP A 1 16.578 29.068 16.750 0.00 1.00 -ATOM 652 CAW TOP A 1 15.350 1.418 10.050 0.00 1.00 -ATOM 653 CAX TOP A 1 15.350 1.418 13.400 0.00 1.00 -ATOM 654 CAY TOP A 1 15.350 1.418 16.750 0.00 1.00 -ATOM 655 CAZ TOP A 1 14.122 3.545 10.050 0.00 1.00 -ATOM 656 CAa TOP A 1 14.122 3.545 13.400 0.00 1.00 -ATOM 657 CAb TOP A 1 14.122 3.545 16.750 0.00 1.00 -ATOM 658 CAc TOP A 1 12.894 5.672 10.050 0.00 1.00 -ATOM 659 CAd TOP A 1 12.894 5.672 13.400 0.00 1.00 -ATOM 660 CAe TOP A 1 12.894 5.672 16.750 0.00 1.00 -ATOM 661 CAf TOP A 1 11.666 7.799 10.050 0.00 1.00 -ATOM 662 CAg TOP A 1 11.666 7.799 13.400 0.00 1.00 -ATOM 663 CAh TOP A 1 11.666 7.799 16.750 0.00 1.00 -ATOM 664 CAi TOP A 1 10.438 9.926 10.050 0.00 1.00 -ATOM 665 CAj TOP A 1 10.438 9.926 13.400 0.00 1.00 -ATOM 666 CAk TOP A 1 10.438 9.926 16.750 0.00 1.00 -ATOM 667 CAl TOP A 1 9.210 12.053 10.050 0.00 1.00 -ATOM 668 CAm TOP A 1 9.210 12.053 13.400 0.00 1.00 -ATOM 669 CAn TOP A 1 9.210 12.053 16.750 0.00 1.00 -ATOM 670 CAo TOP A 1 7.982 14.180 10.050 0.00 1.00 -ATOM 671 CAp TOP A 1 7.982 14.180 13.400 0.00 1.00 -ATOM 672 CAq TOP A 1 7.982 14.180 16.750 0.00 1.00 -ATOM 673 CAr TOP A 1 26.402 16.306 10.050 0.00 1.00 -ATOM 674 CAs TOP A 1 26.402 16.306 13.400 0.00 1.00 -ATOM 675 CAt TOP A 1 26.402 16.306 16.750 0.00 1.00 -ATOM 676 CAu TOP A 1 25.174 18.433 10.050 0.00 1.00 -ATOM 677 CAv TOP A 1 25.174 18.433 13.400 0.00 1.00 -ATOM 678 CAw TOP A 1 25.174 18.433 16.750 0.00 1.00 -ATOM 679 CAx TOP A 1 23.946 20.560 10.050 0.00 1.00 -ATOM 680 CAy TOP A 1 23.946 20.560 13.400 0.00 1.00 -ATOM 681 CAz TOP A 1 23.946 20.560 16.750 0.00 1.00 -ATOM 682 CB0 TOP A 1 22.718 22.687 10.050 0.00 1.00 -ATOM 683 CB1 TOP A 1 22.718 22.687 13.400 0.00 1.00 -ATOM 684 CB2 TOP A 1 22.718 22.687 16.750 0.00 1.00 -ATOM 685 CB3 TOP A 1 21.490 24.814 10.050 0.00 1.00 -ATOM 686 CB4 TOP A 1 21.490 24.814 13.400 0.00 1.00 -ATOM 687 CB5 TOP A 1 21.490 24.814 16.750 0.00 1.00 -ATOM 688 CB6 TOP A 1 20.262 26.941 10.050 0.00 1.00 -ATOM 689 CB7 TOP A 1 20.262 26.941 13.400 0.00 1.00 -ATOM 690 CB8 TOP A 1 20.262 26.941 16.750 0.00 1.00 -ATOM 691 CB9 TOP A 1 19.034 29.068 10.050 0.00 1.00 -ATOM 692 CBA TOP A 1 19.034 29.068 13.400 0.00 1.00 -ATOM 693 CBB TOP A 1 19.034 29.068 16.750 0.00 1.00 -ATOM 694 CBC TOP A 1 17.806 1.418 10.050 0.00 1.00 -ATOM 695 CBD TOP A 1 17.806 1.418 13.400 0.00 1.00 -ATOM 696 CBE TOP A 1 17.806 1.418 16.750 0.00 1.00 -ATOM 697 CBF TOP A 1 16.578 3.545 10.050 0.00 1.00 -ATOM 698 CBG TOP A 1 16.578 3.545 13.400 0.00 1.00 -ATOM 699 CBH TOP A 1 16.578 3.545 16.750 0.00 1.00 -ATOM 700 CBI TOP A 1 15.350 5.672 10.050 0.00 1.00 -ATOM 701 CBJ TOP A 1 15.350 5.672 13.400 0.00 1.00 -ATOM 702 CBK TOP A 1 15.350 5.672 16.750 0.00 1.00 -ATOM 703 CBL TOP A 1 14.122 7.799 10.050 0.00 1.00 -ATOM 704 CBM TOP A 1 14.122 7.799 13.400 0.00 1.00 -ATOM 705 CBN TOP A 1 14.122 7.799 16.750 0.00 1.00 -ATOM 706 CBO TOP A 1 12.894 9.926 10.050 0.00 1.00 -ATOM 707 CBP TOP A 1 12.894 9.926 13.400 0.00 1.00 -ATOM 708 CBQ TOP A 1 12.894 9.926 16.750 0.00 1.00 -ATOM 709 CBR TOP A 1 11.666 12.053 10.050 0.00 1.00 -ATOM 710 CBS TOP A 1 11.666 12.053 13.400 0.00 1.00 -ATOM 711 CBT TOP A 1 11.666 12.053 16.750 0.00 1.00 -ATOM 712 CBU TOP A 1 10.438 14.180 10.050 0.00 1.00 -ATOM 713 CBV TOP A 1 10.438 14.180 13.400 0.00 1.00 -ATOM 714 CBW TOP A 1 10.438 14.180 16.750 0.00 1.00 -ATOM 715 CBX TOP A 1 28.858 16.306 10.050 0.00 1.00 -ATOM 716 CBY TOP A 1 28.858 16.306 13.400 0.00 1.00 -ATOM 717 CBZ TOP A 1 28.858 16.306 16.750 0.00 1.00 -ATOM 718 CBa TOP A 1 27.630 18.433 10.050 0.00 1.00 -ATOM 719 CBb TOP A 1 27.630 18.433 13.400 0.00 1.00 -ATOM 720 CBc TOP A 1 27.630 18.433 16.750 0.00 1.00 -ATOM 721 CBd TOP A 1 26.402 20.560 10.050 0.00 1.00 -ATOM 722 CBe TOP A 1 26.402 20.560 13.400 0.00 1.00 -ATOM 723 CBf TOP A 1 26.402 20.560 16.750 0.00 1.00 -ATOM 724 CBg TOP A 1 25.174 22.687 10.050 0.00 1.00 -ATOM 725 CBh TOP A 1 25.174 22.687 13.400 0.00 1.00 -ATOM 726 CBi TOP A 1 25.174 22.687 16.750 0.00 1.00 -ATOM 727 CBj TOP A 1 23.946 24.814 10.050 0.00 1.00 -ATOM 728 CBk TOP A 1 23.946 24.814 13.400 0.00 1.00 -ATOM 729 CBl TOP A 1 23.946 24.814 16.750 0.00 1.00 -ATOM 730 CBm TOP A 1 22.718 26.941 10.050 0.00 1.00 -ATOM 731 CBn TOP A 1 22.718 26.941 13.400 0.00 1.00 -ATOM 732 CBo TOP A 1 22.718 26.941 16.750 0.00 1.00 -ATOM 733 CBp TOP A 1 21.490 29.068 10.050 0.00 1.00 -ATOM 734 CBq TOP A 1 21.490 29.068 13.400 0.00 1.00 -ATOM 735 CBr TOP A 1 21.490 29.068 16.750 0.00 1.00 -ATOM 736 CBs TOP A 1 20.262 1.418 10.050 0.00 1.00 -ATOM 737 CBt TOP A 1 20.262 1.418 13.400 0.00 1.00 -ATOM 738 CBu TOP A 1 20.262 1.418 16.750 0.00 1.00 -ATOM 739 CBv TOP A 1 19.034 3.545 10.050 0.00 1.00 -ATOM 740 CBw TOP A 1 19.034 3.545 13.400 0.00 1.00 -ATOM 741 CBx TOP A 1 19.034 3.545 16.750 0.00 1.00 -ATOM 742 CBy TOP A 1 17.806 5.672 10.050 0.00 1.00 -ATOM 743 CBz TOP A 1 17.806 5.672 13.400 0.00 1.00 -ATOM 744 CC0 TOP A 1 17.806 5.672 16.750 0.00 1.00 -ATOM 745 CC1 TOP A 1 16.578 7.799 10.050 0.00 1.00 -ATOM 746 CC2 TOP A 1 16.578 7.799 13.400 0.00 1.00 -ATOM 747 CC3 TOP A 1 16.578 7.799 16.750 0.00 1.00 -ATOM 748 CC4 TOP A 1 15.350 9.926 10.050 0.00 1.00 -ATOM 749 CC5 TOP A 1 15.350 9.926 13.400 0.00 1.00 -ATOM 750 CC6 TOP A 1 15.350 9.926 16.750 0.00 1.00 -ATOM 751 CC7 TOP A 1 14.122 12.053 10.050 0.00 1.00 -ATOM 752 CC8 TOP A 1 14.122 12.053 13.400 0.00 1.00 -ATOM 753 CC9 TOP A 1 14.122 12.053 16.750 0.00 1.00 -ATOM 754 CCA TOP A 1 12.894 14.180 10.050 0.00 1.00 -ATOM 755 CCB TOP A 1 12.894 14.180 13.400 0.00 1.00 -ATOM 756 CCC TOP A 1 12.894 14.180 16.750 0.00 1.00 -ATOM 757 CCD TOP A 1 1.842 16.306 10.050 0.00 1.00 -ATOM 758 CCE TOP A 1 1.842 16.306 13.400 0.00 1.00 -ATOM 759 CCF TOP A 1 1.842 16.306 16.750 0.00 1.00 -ATOM 760 CCG TOP A 1 0.614 18.433 10.050 0.00 1.00 -ATOM 761 CCH TOP A 1 0.614 18.433 13.400 0.00 1.00 -ATOM 762 CCI TOP A 1 0.614 18.433 16.750 0.00 1.00 -ATOM 763 CCJ TOP A 1 28.858 20.560 10.050 0.00 1.00 -ATOM 764 CCK TOP A 1 28.858 20.560 13.400 0.00 1.00 -ATOM 765 CCL TOP A 1 28.858 20.560 16.750 0.00 1.00 -ATOM 766 CCM TOP A 1 27.630 22.687 10.050 0.00 1.00 -ATOM 767 CCN TOP A 1 27.630 22.687 13.400 0.00 1.00 -ATOM 768 CCO TOP A 1 27.630 22.687 16.750 0.00 1.00 -ATOM 769 CCP TOP A 1 26.402 24.814 10.050 0.00 1.00 -ATOM 770 CCQ TOP A 1 26.402 24.814 13.400 0.00 1.00 -ATOM 771 CCR TOP A 1 26.402 24.814 16.750 0.00 1.00 -ATOM 772 CCS TOP A 1 25.174 26.941 10.050 0.00 1.00 -ATOM 773 CCT TOP A 1 25.174 26.941 13.400 0.00 1.00 -ATOM 774 CCU TOP A 1 25.174 26.941 16.750 0.00 1.00 -ATOM 775 CCV TOP A 1 23.946 29.068 10.050 0.00 1.00 -ATOM 776 CCW TOP A 1 23.946 29.068 13.400 0.00 1.00 -ATOM 777 CCX TOP A 1 23.946 29.068 16.750 0.00 1.00 -ATOM 778 CCY TOP A 1 22.718 1.418 10.050 0.00 1.00 -ATOM 779 CCZ TOP A 1 22.718 1.418 13.400 0.00 1.00 -ATOM 780 CCa TOP A 1 22.718 1.418 16.750 0.00 1.00 -ATOM 781 CCb TOP A 1 21.490 3.545 10.050 0.00 1.00 -ATOM 782 CCc TOP A 1 21.490 3.545 13.400 0.00 1.00 -ATOM 783 CCd TOP A 1 21.490 3.545 16.750 0.00 1.00 -ATOM 784 CCe TOP A 1 20.262 5.672 10.050 0.00 1.00 -ATOM 785 CCf TOP A 1 20.262 5.672 13.400 0.00 1.00 -ATOM 786 CCg TOP A 1 20.262 5.672 16.750 0.00 1.00 -ATOM 787 CCh TOP A 1 19.034 7.799 10.050 0.00 1.00 -ATOM 788 CCi TOP A 1 19.034 7.799 13.400 0.00 1.00 -ATOM 789 CCj TOP A 1 19.034 7.799 16.750 0.00 1.00 -ATOM 790 CCk TOP A 1 17.806 9.926 10.050 0.00 1.00 -ATOM 791 CCl TOP A 1 17.806 9.926 13.400 0.00 1.00 -ATOM 792 CCm TOP A 1 17.806 9.926 16.750 0.00 1.00 -ATOM 793 CCn TOP A 1 16.578 12.053 10.050 0.00 1.00 -ATOM 794 CCo TOP A 1 16.578 12.053 13.400 0.00 1.00 -ATOM 795 CCp TOP A 1 16.578 12.053 16.750 0.00 1.00 -ATOM 796 CCq TOP A 1 15.350 14.180 10.050 0.00 1.00 -ATOM 797 CCr TOP A 1 15.350 14.180 13.400 0.00 1.00 -ATOM 798 CCs TOP A 1 15.350 14.180 16.750 0.00 1.00 -ATOM 799 CCt TOP A 1 4.298 16.306 10.050 0.00 1.00 -ATOM 800 CCu TOP A 1 4.298 16.306 13.400 0.00 1.00 -ATOM 801 CCv TOP A 1 4.298 16.306 16.750 0.00 1.00 -ATOM 802 CCw TOP A 1 3.070 18.433 10.050 0.00 1.00 -ATOM 803 CCx TOP A 1 3.070 18.433 13.400 0.00 1.00 -ATOM 804 CCy TOP A 1 3.070 18.433 16.750 0.00 1.00 -ATOM 805 CCz TOP A 1 1.842 20.560 10.050 0.00 1.00 -ATOM 806 CD0 TOP A 1 1.842 20.560 13.400 0.00 1.00 -ATOM 807 CD1 TOP A 1 1.842 20.560 16.750 0.00 1.00 -ATOM 808 CD2 TOP A 1 0.614 22.687 10.050 0.00 1.00 -ATOM 809 CD3 TOP A 1 0.614 22.687 13.400 0.00 1.00 -ATOM 810 CD4 TOP A 1 0.614 22.687 16.750 0.00 1.00 -ATOM 811 CD5 TOP A 1 28.858 24.814 10.050 0.00 1.00 -ATOM 812 CD6 TOP A 1 28.858 24.814 13.400 0.00 1.00 -ATOM 813 CD7 TOP A 1 28.858 24.814 16.750 0.00 1.00 -ATOM 814 CD8 TOP A 1 27.630 26.941 10.050 0.00 1.00 -ATOM 815 CD9 TOP A 1 27.630 26.941 13.400 0.00 1.00 -ATOM 816 CDA TOP A 1 27.630 26.941 16.750 0.00 1.00 -ATOM 817 CDB TOP A 1 26.402 29.068 10.050 0.00 1.00 -ATOM 818 CDC TOP A 1 26.402 29.068 13.400 0.00 1.00 -ATOM 819 CDD TOP A 1 26.402 29.068 16.750 0.00 1.00 -ATOM 820 CDE TOP A 1 25.174 1.418 10.050 0.00 1.00 -ATOM 821 CDF TOP A 1 25.174 1.418 13.400 0.00 1.00 -ATOM 822 CDG TOP A 1 25.174 1.418 16.750 0.00 1.00 -ATOM 823 CDH TOP A 1 23.946 3.545 10.050 0.00 1.00 -ATOM 824 CDI TOP A 1 23.946 3.545 13.400 0.00 1.00 -ATOM 825 CDJ TOP A 1 23.946 3.545 16.750 0.00 1.00 -ATOM 826 CDK TOP A 1 22.718 5.672 10.050 0.00 1.00 -ATOM 827 CDL TOP A 1 22.718 5.672 13.400 0.00 1.00 -ATOM 828 CDM TOP A 1 22.718 5.672 16.750 0.00 1.00 -ATOM 829 CDN TOP A 1 21.490 7.799 10.050 0.00 1.00 -ATOM 830 CDO TOP A 1 21.490 7.799 13.400 0.00 1.00 -ATOM 831 CDP TOP A 1 21.490 7.799 16.750 0.00 1.00 -ATOM 832 CDQ TOP A 1 20.262 9.926 10.050 0.00 1.00 -ATOM 833 CDR TOP A 1 20.262 9.926 13.400 0.00 1.00 -ATOM 834 CDS TOP A 1 20.262 9.926 16.750 0.00 1.00 -ATOM 835 CDT TOP A 1 19.034 12.053 10.050 0.00 1.00 -ATOM 836 CDU TOP A 1 19.034 12.053 13.400 0.00 1.00 -ATOM 837 CDV TOP A 1 19.034 12.053 16.750 0.00 1.00 -ATOM 838 CDW TOP A 1 17.806 14.180 10.050 0.00 1.00 -ATOM 839 CDX TOP A 1 17.806 14.180 13.400 0.00 1.00 -ATOM 840 CDY TOP A 1 17.806 14.180 16.750 0.00 1.00 -ATOM 841 CDZ TOP A 1 6.754 16.306 10.050 0.00 1.00 -ATOM 842 CDa TOP A 1 6.754 16.306 13.400 0.00 1.00 -ATOM 843 CDb TOP A 1 6.754 16.306 16.750 0.00 1.00 -ATOM 844 CDc TOP A 1 5.526 18.433 10.050 0.00 1.00 -ATOM 845 CDd TOP A 1 5.526 18.433 13.400 0.00 1.00 -ATOM 846 CDe TOP A 1 5.526 18.433 16.750 0.00 1.00 -ATOM 847 CDf TOP A 1 4.298 20.560 10.050 0.00 1.00 -ATOM 848 CDg TOP A 1 4.298 20.560 13.400 0.00 1.00 -ATOM 849 CDh TOP A 1 4.298 20.560 16.750 0.00 1.00 -ATOM 850 CDi TOP A 1 3.070 22.687 10.050 0.00 1.00 -ATOM 851 CDj TOP A 1 3.070 22.687 13.400 0.00 1.00 -ATOM 852 CDk TOP A 1 3.070 22.687 16.750 0.00 1.00 -ATOM 853 CDl TOP A 1 1.842 24.814 10.050 0.00 1.00 -ATOM 854 CDm TOP A 1 1.842 24.814 13.400 0.00 1.00 -ATOM 855 CDn TOP A 1 1.842 24.814 16.750 0.00 1.00 -ATOM 856 CDo TOP A 1 0.614 26.941 10.050 0.00 1.00 -ATOM 857 CDp TOP A 1 0.614 26.941 13.400 0.00 1.00 -ATOM 858 CDq TOP A 1 0.614 26.941 16.750 0.00 1.00 -ATOM 859 CDr TOP A 1 28.858 29.068 10.050 0.00 1.00 -ATOM 860 CDs TOP A 1 28.858 29.068 13.400 0.00 1.00 -ATOM 861 CDt TOP A 1 28.858 29.068 16.750 0.00 1.00 -ATOM 862 CDu TOP A 1 27.630 1.418 10.050 0.00 1.00 -ATOM 863 CDv TOP A 1 27.630 1.418 13.400 0.00 1.00 -ATOM 864 CDw TOP A 1 27.630 1.418 16.750 0.00 1.00 -ATOM 865 CDx TOP A 1 26.402 3.545 10.050 0.00 1.00 -ATOM 866 CDy TOP A 1 26.402 3.545 13.400 0.00 1.00 -ATOM 867 CDz TOP A 1 26.402 3.545 16.750 0.00 1.00 -ATOM 868 CE0 TOP A 1 25.174 5.672 10.050 0.00 1.00 -ATOM 869 CE1 TOP A 1 25.174 5.672 13.400 0.00 1.00 -ATOM 870 CE2 TOP A 1 25.174 5.672 16.750 0.00 1.00 -ATOM 871 CE3 TOP A 1 23.946 7.799 10.050 0.00 1.00 -ATOM 872 CE4 TOP A 1 23.946 7.799 13.400 0.00 1.00 -ATOM 873 CE5 TOP A 1 23.946 7.799 16.750 0.00 1.00 -ATOM 874 CE6 TOP A 1 22.718 9.926 10.050 0.00 1.00 -ATOM 875 CE7 TOP A 1 22.718 9.926 13.400 0.00 1.00 -ATOM 876 CE8 TOP A 1 22.718 9.926 16.750 0.00 1.00 -ATOM 877 CE9 TOP A 1 21.490 12.053 10.050 0.00 1.00 -ATOM 878 CEA TOP A 1 21.490 12.053 13.400 0.00 1.00 -ATOM 879 CEB TOP A 1 21.490 12.053 16.750 0.00 1.00 -ATOM 880 CEC TOP A 1 20.262 14.180 10.050 0.00 1.00 -ATOM 881 CED TOP A 1 20.262 14.180 13.400 0.00 1.00 -ATOM 882 CEE TOP A 1 20.262 14.180 16.750 0.00 1.00 -ATOM 883 CEF TOP A 1 9.210 16.306 10.050 0.00 1.00 -ATOM 884 CEG TOP A 1 9.210 16.306 13.400 0.00 1.00 -ATOM 885 CEH TOP A 1 9.210 16.306 16.750 0.00 1.00 -ATOM 886 CEI TOP A 1 7.982 18.433 10.050 0.00 1.00 -ATOM 887 CEJ TOP A 1 7.982 18.433 13.400 0.00 1.00 -ATOM 888 CEK TOP A 1 7.982 18.433 16.750 0.00 1.00 -ATOM 889 CEL TOP A 1 6.754 20.560 10.050 0.00 1.00 -ATOM 890 CEM TOP A 1 6.754 20.560 13.400 0.00 1.00 -ATOM 891 CEN TOP A 1 6.754 20.560 16.750 0.00 1.00 -ATOM 892 CEO TOP A 1 5.526 22.687 10.050 0.00 1.00 -ATOM 893 CEP TOP A 1 5.526 22.687 13.400 0.00 1.00 -ATOM 894 CEQ TOP A 1 5.526 22.687 16.750 0.00 1.00 -ATOM 895 CER TOP A 1 4.298 24.814 10.050 0.00 1.00 -ATOM 896 CES TOP A 1 4.298 24.814 13.400 0.00 1.00 -ATOM 897 CET TOP A 1 4.298 24.814 16.750 0.00 1.00 -ATOM 898 CEU TOP A 1 3.070 26.941 10.050 0.00 1.00 -ATOM 899 CEV TOP A 1 3.070 26.941 13.400 0.00 1.00 -ATOM 900 CEW TOP A 1 3.070 26.941 16.750 0.00 1.00 -ATOM 901 CEX TOP A 1 1.842 29.068 10.050 0.00 1.00 -ATOM 902 CEY TOP A 1 1.842 29.068 13.400 0.00 1.00 -ATOM 903 CEZ TOP A 1 1.842 29.068 16.750 0.00 1.00 -ATOM 904 CEa TOP A 1 0.614 1.418 10.050 0.00 1.00 -ATOM 905 CEb TOP A 1 0.614 1.418 13.400 0.00 1.00 -ATOM 906 CEc TOP A 1 0.614 1.418 16.750 0.00 1.00 -ATOM 907 CEd TOP A 1 28.858 3.545 10.050 0.00 1.00 -ATOM 908 CEe TOP A 1 28.858 3.545 13.400 0.00 1.00 -ATOM 909 CEf TOP A 1 28.858 3.545 16.750 0.00 1.00 -ATOM 910 CEg TOP A 1 27.630 5.672 10.050 0.00 1.00 -ATOM 911 CEh TOP A 1 27.630 5.672 13.400 0.00 1.00 -ATOM 912 CEi TOP A 1 27.630 5.672 16.750 0.00 1.00 -ATOM 913 CEj TOP A 1 26.402 7.799 10.050 0.00 1.00 -ATOM 914 CEk TOP A 1 26.402 7.799 13.400 0.00 1.00 -ATOM 915 CEl TOP A 1 26.402 7.799 16.750 0.00 1.00 -ATOM 916 CEm TOP A 1 25.174 9.926 10.050 0.00 1.00 -ATOM 917 CEn TOP A 1 25.174 9.926 13.400 0.00 1.00 -ATOM 918 CEo TOP A 1 25.174 9.926 16.750 0.00 1.00 -ATOM 919 CEp TOP A 1 23.946 12.053 10.050 0.00 1.00 -ATOM 920 CEq TOP A 1 23.946 12.053 13.400 0.00 1.00 -ATOM 921 CEr TOP A 1 23.946 12.053 16.750 0.00 1.00 -ATOM 922 CEs TOP A 1 22.718 14.180 10.050 0.00 1.00 -ATOM 923 CEt TOP A 1 22.718 14.180 13.400 0.00 1.00 -ATOM 924 CEu TOP A 1 22.718 14.180 16.750 0.00 1.00 -ATOM 925 CEv TOP A 1 11.666 16.306 10.050 0.00 1.00 -ATOM 926 CEw TOP A 1 11.666 16.306 13.400 0.00 1.00 -ATOM 927 CEx TOP A 1 11.666 16.306 16.750 0.00 1.00 -ATOM 928 CEy TOP A 1 10.438 18.433 10.050 0.00 1.00 -ATOM 929 CEz TOP A 1 10.438 18.433 13.400 0.00 1.00 -ATOM 930 CF0 TOP A 1 10.438 18.433 16.750 0.00 1.00 -ATOM 931 CF1 TOP A 1 9.210 20.560 10.050 0.00 1.00 -ATOM 932 CF2 TOP A 1 9.210 20.560 13.400 0.00 1.00 -ATOM 933 CF3 TOP A 1 9.210 20.560 16.750 0.00 1.00 -ATOM 934 CF4 TOP A 1 7.982 22.687 10.050 0.00 1.00 -ATOM 935 CF5 TOP A 1 7.982 22.687 13.400 0.00 1.00 -ATOM 936 CF6 TOP A 1 7.982 22.687 16.750 0.00 1.00 -ATOM 937 CF7 TOP A 1 6.754 24.814 10.050 0.00 1.00 -ATOM 938 CF8 TOP A 1 6.754 24.814 13.400 0.00 1.00 -ATOM 939 CF9 TOP A 1 6.754 24.814 16.750 0.00 1.00 -ATOM 940 CFA TOP A 1 5.526 26.941 10.050 0.00 1.00 -ATOM 941 CFB TOP A 1 5.526 26.941 13.400 0.00 1.00 -ATOM 942 CFC TOP A 1 5.526 26.941 16.750 0.00 1.00 -ATOM 943 CFD TOP A 1 4.298 29.068 10.050 0.00 1.00 -ATOM 944 CFE TOP A 1 4.298 29.068 13.400 0.00 1.00 -ATOM 945 CFF TOP A 1 4.298 29.068 16.750 0.00 1.00 -ATOM 946 CFG TOP A 1 3.070 1.418 10.050 0.00 1.00 -ATOM 947 CFH TOP A 1 3.070 1.418 13.400 0.00 1.00 -ATOM 948 CFI TOP A 1 3.070 1.418 16.750 0.00 1.00 -ATOM 949 CFJ TOP A 1 1.842 3.545 10.050 0.00 1.00 -ATOM 950 CFK TOP A 1 1.842 3.545 13.400 0.00 1.00 -ATOM 951 CFL TOP A 1 1.842 3.545 16.750 0.00 1.00 -ATOM 952 CFM TOP A 1 0.614 5.672 10.050 0.00 1.00 -ATOM 953 CFN TOP A 1 0.614 5.672 13.400 0.00 1.00 -ATOM 954 CFO TOP A 1 0.614 5.672 16.750 0.00 1.00 -ATOM 955 CFP TOP A 1 28.858 7.799 10.050 0.00 1.00 -ATOM 956 CFQ TOP A 1 28.858 7.799 13.400 0.00 1.00 -ATOM 957 CFR TOP A 1 28.858 7.799 16.750 0.00 1.00 -ATOM 958 CFS TOP A 1 27.630 9.926 10.050 0.00 1.00 -ATOM 959 CFT TOP A 1 27.630 9.926 13.400 0.00 1.00 -ATOM 960 CFU TOP A 1 27.630 9.926 16.750 0.00 1.00 -ATOM 961 CFV TOP A 1 26.402 12.053 10.050 0.00 1.00 -ATOM 962 CFW TOP A 1 26.402 12.053 13.400 0.00 1.00 -ATOM 963 CFX TOP A 1 26.402 12.053 16.750 0.00 1.00 -ATOM 964 CFY TOP A 1 25.174 14.180 10.050 0.00 1.00 -ATOM 965 CFZ TOP A 1 25.174 14.180 13.400 0.00 1.00 -ATOM 966 CFa TOP A 1 25.174 14.180 16.750 0.00 1.00 -ATOM 967 CFb TOP A 1 14.122 16.306 10.050 0.00 1.00 -ATOM 968 CFc TOP A 1 14.122 16.306 13.400 0.00 1.00 -ATOM 969 CFd TOP A 1 14.122 16.306 16.750 0.00 1.00 -ATOM 970 CFe TOP A 1 12.894 18.433 10.050 0.00 1.00 -ATOM 971 CFf TOP A 1 12.894 18.433 13.400 0.00 1.00 -ATOM 972 CFg TOP A 1 12.894 18.433 16.750 0.00 1.00 -ATOM 973 CFh TOP A 1 11.666 20.560 10.050 0.00 1.00 -ATOM 974 CFi TOP A 1 11.666 20.560 13.400 0.00 1.00 -ATOM 975 CFj TOP A 1 11.666 20.560 16.750 0.00 1.00 -ATOM 976 CFk TOP A 1 10.438 22.687 10.050 0.00 1.00 -ATOM 977 CFl TOP A 1 10.438 22.687 13.400 0.00 1.00 -ATOM 978 CFm TOP A 1 10.438 22.687 16.750 0.00 1.00 -ATOM 979 CFn TOP A 1 9.210 24.814 10.050 0.00 1.00 -ATOM 980 CFo TOP A 1 9.210 24.814 13.400 0.00 1.00 -ATOM 981 CFp TOP A 1 9.210 24.814 16.750 0.00 1.00 -ATOM 982 CFq TOP A 1 7.982 26.941 10.050 0.00 1.00 -ATOM 983 CFr TOP A 1 7.982 26.941 13.400 0.00 1.00 -ATOM 984 CFs TOP A 1 7.982 26.941 16.750 0.00 1.00 -ATOM 985 CFt TOP A 1 6.754 29.068 10.050 0.00 1.00 -ATOM 986 CFu TOP A 1 6.754 29.068 13.400 0.00 1.00 -ATOM 987 CFv TOP A 1 6.754 29.068 16.750 0.00 1.00 -ATOM 988 CFw TOP A 1 5.526 1.418 10.050 0.00 1.00 -ATOM 989 CFx TOP A 1 5.526 1.418 13.400 0.00 1.00 -ATOM 990 CFy TOP A 1 5.526 1.418 16.750 0.00 1.00 -ATOM 991 CFz TOP A 1 4.298 3.545 10.050 0.00 1.00 -ATOM 992 CG0 TOP A 1 4.298 3.545 13.400 0.00 1.00 -ATOM 993 CG1 TOP A 1 4.298 3.545 16.750 0.00 1.00 -ATOM 994 CG2 TOP A 1 3.070 5.672 10.050 0.00 1.00 -ATOM 995 CG3 TOP A 1 3.070 5.672 13.400 0.00 1.00 -ATOM 996 CG4 TOP A 1 3.070 5.672 16.750 0.00 1.00 -ATOM 997 CG5 TOP A 1 1.842 7.799 10.050 0.00 1.00 -ATOM 998 CG6 TOP A 1 1.842 7.799 13.400 0.00 1.00 -ATOM 999 CG7 TOP A 1 1.842 7.799 16.750 0.00 1.00 -ATOM 1000 CG8 TOP A 1 0.614 9.926 10.050 0.00 1.00 -ATOM 1001 CG9 TOP A 1 0.614 9.926 13.400 0.00 1.00 -ATOM 1002 CGA TOP A 1 0.614 9.926 16.750 0.00 1.00 -ATOM 1003 CGB TOP A 1 28.858 12.053 10.050 0.00 1.00 -ATOM 1004 CGC TOP A 1 28.858 12.053 13.400 0.00 1.00 -ATOM 1005 CGD TOP A 1 28.858 12.053 16.750 0.00 1.00 -ATOM 1006 CGE TOP A 1 27.630 14.180 10.050 0.00 1.00 -ATOM 1007 CGF TOP A 1 27.630 14.180 13.400 0.00 1.00 -ATOM 1008 CGG TOP A 1 27.630 14.180 16.750 0.00 1.00 -ATOM 1009 C1 BOT B 1 15.350 15.597 0.000 0.00 1.00 -ATOM 1010 C2 BOT B 1 15.350 15.597 3.350 0.00 1.00 -ATOM 1011 C3 BOT B 1 15.350 15.597 6.700 0.00 1.00 -ATOM 1012 C4 BOT B 1 14.122 17.724 0.000 0.00 1.00 -ATOM 1013 C5 BOT B 1 14.122 17.724 3.350 0.00 1.00 -ATOM 1014 C6 BOT B 1 14.122 17.724 6.700 0.00 1.00 -ATOM 1015 C7 BOT B 1 12.894 19.851 0.000 0.00 1.00 -ATOM 1016 C8 BOT B 1 12.894 19.851 3.350 0.00 1.00 -ATOM 1017 C9 BOT B 1 12.894 19.851 6.700 0.00 1.00 -ATOM 1018 CA BOT B 1 11.666 21.978 0.000 0.00 1.00 -ATOM 1019 CB BOT B 1 11.666 21.978 3.350 0.00 1.00 -ATOM 1020 CC BOT B 1 11.666 21.978 6.700 0.00 1.00 -ATOM 1021 CD BOT B 1 10.438 24.105 0.000 0.00 1.00 -ATOM 1022 CE BOT B 1 10.438 24.105 3.350 0.00 1.00 -ATOM 1023 CF BOT B 1 10.438 24.105 6.700 0.00 1.00 -ATOM 1024 CG BOT B 1 9.210 26.232 0.000 0.00 1.00 -ATOM 1025 CH BOT B 1 9.210 26.232 3.350 0.00 1.00 -ATOM 1026 CI BOT B 1 9.210 26.232 6.700 0.00 1.00 -ATOM 1027 CJ BOT B 1 7.982 28.359 0.000 0.00 1.00 -ATOM 1028 CK BOT B 1 7.982 28.359 3.350 0.00 1.00 -ATOM 1029 CL BOT B 1 7.982 28.359 6.700 0.00 1.00 -ATOM 1030 CM BOT B 1 6.754 0.709 0.000 0.00 1.00 -ATOM 1031 CN BOT B 1 6.754 0.709 3.350 0.00 1.00 -ATOM 1032 CO BOT B 1 6.754 0.709 6.700 0.00 1.00 -ATOM 1033 CP BOT B 1 5.526 2.836 0.000 0.00 1.00 -ATOM 1034 CQ BOT B 1 5.526 2.836 3.350 0.00 1.00 -ATOM 1035 CR BOT B 1 5.526 2.836 6.700 0.00 1.00 -ATOM 1036 CS BOT B 1 4.298 4.963 0.000 0.00 1.00 -ATOM 1037 CT BOT B 1 4.298 4.963 3.350 0.00 1.00 -ATOM 1038 CU BOT B 1 4.298 4.963 6.700 0.00 1.00 -ATOM 1039 CV BOT B 1 3.070 7.090 0.000 0.00 1.00 -ATOM 1040 CW BOT B 1 3.070 7.090 3.350 0.00 1.00 -ATOM 1041 CX BOT B 1 3.070 7.090 6.700 0.00 1.00 -ATOM 1042 CY BOT B 1 1.842 9.217 0.000 0.00 1.00 -ATOM 1043 CZ BOT B 1 1.842 9.217 3.350 0.00 1.00 -ATOM 1044 Ca BOT B 1 1.842 9.217 6.700 0.00 1.00 -ATOM 1045 Cb BOT B 1 0.614 11.344 0.000 0.00 1.00 -ATOM 1046 Cc BOT B 1 0.614 11.344 3.350 0.00 1.00 -ATOM 1047 Cd BOT B 1 0.614 11.344 6.700 0.00 1.00 -ATOM 1048 Ce BOT B 1 28.858 13.471 0.000 0.00 1.00 -ATOM 1049 Cf BOT B 1 28.858 13.471 3.350 0.00 1.00 -ATOM 1050 Cg BOT B 1 28.858 13.471 6.700 0.00 1.00 -ATOM 1051 Ch BOT B 1 17.806 15.597 0.000 0.00 1.00 -ATOM 1052 Ci BOT B 1 17.806 15.597 3.350 0.00 1.00 -ATOM 1053 Cj BOT B 1 17.806 15.597 6.700 0.00 1.00 -ATOM 1054 Ck BOT B 1 16.578 17.724 0.000 0.00 1.00 -ATOM 1055 Cl BOT B 1 16.578 17.724 3.350 0.00 1.00 -ATOM 1056 Cm BOT B 1 16.578 17.724 6.700 0.00 1.00 -ATOM 1057 Cn BOT B 1 15.350 19.851 0.000 0.00 1.00 -ATOM 1058 Co BOT B 1 15.350 19.851 3.350 0.00 1.00 -ATOM 1059 Cp BOT B 1 15.350 19.851 6.700 0.00 1.00 -ATOM 1060 Cq BOT B 1 14.122 21.978 0.000 0.00 1.00 -ATOM 1061 Cr BOT B 1 14.122 21.978 3.350 0.00 1.00 -ATOM 1062 Cs BOT B 1 14.122 21.978 6.700 0.00 1.00 -ATOM 1063 Ct BOT B 1 12.894 24.105 0.000 0.00 1.00 -ATOM 1064 Cu BOT B 1 12.894 24.105 3.350 0.00 1.00 -ATOM 1065 Cv BOT B 1 12.894 24.105 6.700 0.00 1.00 -ATOM 1066 Cw BOT B 1 11.666 26.232 0.000 0.00 1.00 -ATOM 1067 Cx BOT B 1 11.666 26.232 3.350 0.00 1.00 -ATOM 1068 Cy BOT B 1 11.666 26.232 6.700 0.00 1.00 -ATOM 1069 Cz BOT B 1 10.438 28.359 0.000 0.00 1.00 -ATOM 1070 C10 BOT B 1 10.438 28.359 3.350 0.00 1.00 -ATOM 1071 C11 BOT B 1 10.438 28.359 6.700 0.00 1.00 -ATOM 1072 C12 BOT B 1 9.210 0.709 0.000 0.00 1.00 -ATOM 1073 C13 BOT B 1 9.210 0.709 3.350 0.00 1.00 -ATOM 1074 C14 BOT B 1 9.210 0.709 6.700 0.00 1.00 -ATOM 1075 C15 BOT B 1 7.982 2.836 0.000 0.00 1.00 -ATOM 1076 C16 BOT B 1 7.982 2.836 3.350 0.00 1.00 -ATOM 1077 C17 BOT B 1 7.982 2.836 6.700 0.00 1.00 -ATOM 1078 C18 BOT B 1 6.754 4.963 0.000 0.00 1.00 -ATOM 1079 C19 BOT B 1 6.754 4.963 3.350 0.00 1.00 -ATOM 1080 C1A BOT B 1 6.754 4.963 6.700 0.00 1.00 -ATOM 1081 C1B BOT B 1 5.526 7.090 0.000 0.00 1.00 -ATOM 1082 C1C BOT B 1 5.526 7.090 3.350 0.00 1.00 -ATOM 1083 C1D BOT B 1 5.526 7.090 6.700 0.00 1.00 -ATOM 1084 C1E BOT B 1 4.298 9.217 0.000 0.00 1.00 -ATOM 1085 C1F BOT B 1 4.298 9.217 3.350 0.00 1.00 -ATOM 1086 C1G BOT B 1 4.298 9.217 6.700 0.00 1.00 -ATOM 1087 C1H BOT B 1 3.070 11.344 0.000 0.00 1.00 -ATOM 1088 C1I BOT B 1 3.070 11.344 3.350 0.00 1.00 -ATOM 1089 C1J BOT B 1 3.070 11.344 6.700 0.00 1.00 -ATOM 1090 C1K BOT B 1 1.842 13.471 0.000 0.00 1.00 -ATOM 1091 C1L BOT B 1 1.842 13.471 3.350 0.00 1.00 -ATOM 1092 C1M BOT B 1 1.842 13.471 6.700 0.00 1.00 -ATOM 1093 C1N BOT B 1 20.262 15.597 0.000 0.00 1.00 -ATOM 1094 C1O BOT B 1 20.262 15.597 3.350 0.00 1.00 -ATOM 1095 C1P BOT B 1 20.262 15.597 6.700 0.00 1.00 -ATOM 1096 C1Q BOT B 1 19.034 17.724 0.000 0.00 1.00 -ATOM 1097 C1R BOT B 1 19.034 17.724 3.350 0.00 1.00 -ATOM 1098 C1S BOT B 1 19.034 17.724 6.700 0.00 1.00 -ATOM 1099 C1T BOT B 1 17.806 19.851 0.000 0.00 1.00 -ATOM 1100 C1U BOT B 1 17.806 19.851 3.350 0.00 1.00 -ATOM 1101 C1V BOT B 1 17.806 19.851 6.700 0.00 1.00 -ATOM 1102 C1W BOT B 1 16.578 21.978 0.000 0.00 1.00 -ATOM 1103 C1X BOT B 1 16.578 21.978 3.350 0.00 1.00 -ATOM 1104 C1Y BOT B 1 16.578 21.978 6.700 0.00 1.00 -ATOM 1105 C1Z BOT B 1 15.350 24.105 0.000 0.00 1.00 -ATOM 1106 C1a BOT B 1 15.350 24.105 3.350 0.00 1.00 -ATOM 1107 C1b BOT B 1 15.350 24.105 6.700 0.00 1.00 -ATOM 1108 C1c BOT B 1 14.122 26.232 0.000 0.00 1.00 -ATOM 1109 C1d BOT B 1 14.122 26.232 3.350 0.00 1.00 -ATOM 1110 C1e BOT B 1 14.122 26.232 6.700 0.00 1.00 -ATOM 1111 C1f BOT B 1 12.894 28.359 0.000 0.00 1.00 -ATOM 1112 C1g BOT B 1 12.894 28.359 3.350 0.00 1.00 -ATOM 1113 C1h BOT B 1 12.894 28.359 6.700 0.00 1.00 -ATOM 1114 C1i BOT B 1 11.666 0.709 0.000 0.00 1.00 -ATOM 1115 C1j BOT B 1 11.666 0.709 3.350 0.00 1.00 -ATOM 1116 C1k BOT B 1 11.666 0.709 6.700 0.00 1.00 -ATOM 1117 C1l BOT B 1 10.438 2.836 0.000 0.00 1.00 -ATOM 1118 C1m BOT B 1 10.438 2.836 3.350 0.00 1.00 -ATOM 1119 C1n BOT B 1 10.438 2.836 6.700 0.00 1.00 -ATOM 1120 C1o BOT B 1 9.210 4.963 0.000 0.00 1.00 -ATOM 1121 C1p BOT B 1 9.210 4.963 3.350 0.00 1.00 -ATOM 1122 C1q BOT B 1 9.210 4.963 6.700 0.00 1.00 -ATOM 1123 C1r BOT B 1 7.982 7.090 0.000 0.00 1.00 -ATOM 1124 C1s BOT B 1 7.982 7.090 3.350 0.00 1.00 -ATOM 1125 C1t BOT B 1 7.982 7.090 6.700 0.00 1.00 -ATOM 1126 C1u BOT B 1 6.754 9.217 0.000 0.00 1.00 -ATOM 1127 C1v BOT B 1 6.754 9.217 3.350 0.00 1.00 -ATOM 1128 C1w BOT B 1 6.754 9.217 6.700 0.00 1.00 -ATOM 1129 C1x BOT B 1 5.526 11.344 0.000 0.00 1.00 -ATOM 1130 C1y BOT B 1 5.526 11.344 3.350 0.00 1.00 -ATOM 1131 C1z BOT B 1 5.526 11.344 6.700 0.00 1.00 -ATOM 1132 C20 BOT B 1 4.298 13.471 0.000 0.00 1.00 -ATOM 1133 C21 BOT B 1 4.298 13.471 3.350 0.00 1.00 -ATOM 1134 C22 BOT B 1 4.298 13.471 6.700 0.00 1.00 -ATOM 1135 C23 BOT B 1 22.718 15.597 0.000 0.00 1.00 -ATOM 1136 C24 BOT B 1 22.718 15.597 3.350 0.00 1.00 -ATOM 1137 C25 BOT B 1 22.718 15.597 6.700 0.00 1.00 -ATOM 1138 C26 BOT B 1 21.490 17.724 0.000 0.00 1.00 -ATOM 1139 C27 BOT B 1 21.490 17.724 3.350 0.00 1.00 -ATOM 1140 C28 BOT B 1 21.490 17.724 6.700 0.00 1.00 -ATOM 1141 C29 BOT B 1 20.262 19.851 0.000 0.00 1.00 -ATOM 1142 C2A BOT B 1 20.262 19.851 3.350 0.00 1.00 -ATOM 1143 C2B BOT B 1 20.262 19.851 6.700 0.00 1.00 -ATOM 1144 C2C BOT B 1 19.034 21.978 0.000 0.00 1.00 -ATOM 1145 C2D BOT B 1 19.034 21.978 3.350 0.00 1.00 -ATOM 1146 C2E BOT B 1 19.034 21.978 6.700 0.00 1.00 -ATOM 1147 C2F BOT B 1 17.806 24.105 0.000 0.00 1.00 -ATOM 1148 C2G BOT B 1 17.806 24.105 3.350 0.00 1.00 -ATOM 1149 C2H BOT B 1 17.806 24.105 6.700 0.00 1.00 -ATOM 1150 C2I BOT B 1 16.578 26.232 0.000 0.00 1.00 -ATOM 1151 C2J BOT B 1 16.578 26.232 3.350 0.00 1.00 -ATOM 1152 C2K BOT B 1 16.578 26.232 6.700 0.00 1.00 -ATOM 1153 C2L BOT B 1 15.350 28.359 0.000 0.00 1.00 -ATOM 1154 C2M BOT B 1 15.350 28.359 3.350 0.00 1.00 -ATOM 1155 C2N BOT B 1 15.350 28.359 6.700 0.00 1.00 -ATOM 1156 C2O BOT B 1 14.122 0.709 0.000 0.00 1.00 -ATOM 1157 C2P BOT B 1 14.122 0.709 3.350 0.00 1.00 -ATOM 1158 C2Q BOT B 1 14.122 0.709 6.700 0.00 1.00 -ATOM 1159 C2R BOT B 1 12.894 2.836 0.000 0.00 1.00 -ATOM 1160 C2S BOT B 1 12.894 2.836 3.350 0.00 1.00 -ATOM 1161 C2T BOT B 1 12.894 2.836 6.700 0.00 1.00 -ATOM 1162 C2U BOT B 1 11.666 4.963 0.000 0.00 1.00 -ATOM 1163 C2V BOT B 1 11.666 4.963 3.350 0.00 1.00 -ATOM 1164 C2W BOT B 1 11.666 4.963 6.700 0.00 1.00 -ATOM 1165 C2X BOT B 1 10.438 7.090 0.000 0.00 1.00 -ATOM 1166 C2Y BOT B 1 10.438 7.090 3.350 0.00 1.00 -ATOM 1167 C2Z BOT B 1 10.438 7.090 6.700 0.00 1.00 -ATOM 1168 C2a BOT B 1 9.210 9.217 0.000 0.00 1.00 -ATOM 1169 C2b BOT B 1 9.210 9.217 3.350 0.00 1.00 -ATOM 1170 C2c BOT B 1 9.210 9.217 6.700 0.00 1.00 -ATOM 1171 C2d BOT B 1 7.982 11.344 0.000 0.00 1.00 -ATOM 1172 C2e BOT B 1 7.982 11.344 3.350 0.00 1.00 -ATOM 1173 C2f BOT B 1 7.982 11.344 6.700 0.00 1.00 -ATOM 1174 C2g BOT B 1 6.754 13.471 0.000 0.00 1.00 -ATOM 1175 C2h BOT B 1 6.754 13.471 3.350 0.00 1.00 -ATOM 1176 C2i BOT B 1 6.754 13.471 6.700 0.00 1.00 -ATOM 1177 C2j BOT B 1 25.174 15.597 0.000 0.00 1.00 -ATOM 1178 C2k BOT B 1 25.174 15.597 3.350 0.00 1.00 -ATOM 1179 C2l BOT B 1 25.174 15.597 6.700 0.00 1.00 -ATOM 1180 C2m BOT B 1 23.946 17.724 0.000 0.00 1.00 -ATOM 1181 C2n BOT B 1 23.946 17.724 3.350 0.00 1.00 -ATOM 1182 C2o BOT B 1 23.946 17.724 6.700 0.00 1.00 -ATOM 1183 C2p BOT B 1 22.718 19.851 0.000 0.00 1.00 -ATOM 1184 C2q BOT B 1 22.718 19.851 3.350 0.00 1.00 -ATOM 1185 C2r BOT B 1 22.718 19.851 6.700 0.00 1.00 -ATOM 1186 C2s BOT B 1 21.490 21.978 0.000 0.00 1.00 -ATOM 1187 C2t BOT B 1 21.490 21.978 3.350 0.00 1.00 -ATOM 1188 C2u BOT B 1 21.490 21.978 6.700 0.00 1.00 -ATOM 1189 C2v BOT B 1 20.262 24.105 0.000 0.00 1.00 -ATOM 1190 C2w BOT B 1 20.262 24.105 3.350 0.00 1.00 -ATOM 1191 C2x BOT B 1 20.262 24.105 6.700 0.00 1.00 -ATOM 1192 C2y BOT B 1 19.034 26.232 0.000 0.00 1.00 -ATOM 1193 C2z BOT B 1 19.034 26.232 3.350 0.00 1.00 -ATOM 1194 C30 BOT B 1 19.034 26.232 6.700 0.00 1.00 -ATOM 1195 C31 BOT B 1 17.806 28.359 0.000 0.00 1.00 -ATOM 1196 C32 BOT B 1 17.806 28.359 3.350 0.00 1.00 -ATOM 1197 C33 BOT B 1 17.806 28.359 6.700 0.00 1.00 -ATOM 1198 C34 BOT B 1 16.578 0.709 0.000 0.00 1.00 -ATOM 1199 C35 BOT B 1 16.578 0.709 3.350 0.00 1.00 -ATOM 1200 C36 BOT B 1 16.578 0.709 6.700 0.00 1.00 -ATOM 1201 C37 BOT B 1 15.350 2.836 0.000 0.00 1.00 -ATOM 1202 C38 BOT B 1 15.350 2.836 3.350 0.00 1.00 -ATOM 1203 C39 BOT B 1 15.350 2.836 6.700 0.00 1.00 -ATOM 1204 C3A BOT B 1 14.122 4.963 0.000 0.00 1.00 -ATOM 1205 C3B BOT B 1 14.122 4.963 3.350 0.00 1.00 -ATOM 1206 C3C BOT B 1 14.122 4.963 6.700 0.00 1.00 -ATOM 1207 C3D BOT B 1 12.894 7.090 0.000 0.00 1.00 -ATOM 1208 C3E BOT B 1 12.894 7.090 3.350 0.00 1.00 -ATOM 1209 C3F BOT B 1 12.894 7.090 6.700 0.00 1.00 -ATOM 1210 C3G BOT B 1 11.666 9.217 0.000 0.00 1.00 -ATOM 1211 C3H BOT B 1 11.666 9.217 3.350 0.00 1.00 -ATOM 1212 C3I BOT B 1 11.666 9.217 6.700 0.00 1.00 -ATOM 1213 C3J BOT B 1 10.438 11.344 0.000 0.00 1.00 -ATOM 1214 C3K BOT B 1 10.438 11.344 3.350 0.00 1.00 -ATOM 1215 C3L BOT B 1 10.438 11.344 6.700 0.00 1.00 -ATOM 1216 C3M BOT B 1 9.210 13.471 0.000 0.00 1.00 -ATOM 1217 C3N BOT B 1 9.210 13.471 3.350 0.00 1.00 -ATOM 1218 C3O BOT B 1 9.210 13.471 6.700 0.00 1.00 -ATOM 1219 C3P BOT B 1 27.630 15.597 0.000 0.00 1.00 -ATOM 1220 C3Q BOT B 1 27.630 15.597 3.350 0.00 1.00 -ATOM 1221 C3R BOT B 1 27.630 15.597 6.700 0.00 1.00 -ATOM 1222 C3S BOT B 1 26.402 17.724 0.000 0.00 1.00 -ATOM 1223 C3T BOT B 1 26.402 17.724 3.350 0.00 1.00 -ATOM 1224 C3U BOT B 1 26.402 17.724 6.700 0.00 1.00 -ATOM 1225 C3V BOT B 1 25.174 19.851 0.000 0.00 1.00 -ATOM 1226 C3W BOT B 1 25.174 19.851 3.350 0.00 1.00 -ATOM 1227 C3X BOT B 1 25.174 19.851 6.700 0.00 1.00 -ATOM 1228 C3Y BOT B 1 23.946 21.978 0.000 0.00 1.00 -ATOM 1229 C3Z BOT B 1 23.946 21.978 3.350 0.00 1.00 -ATOM 1230 C3a BOT B 1 23.946 21.978 6.700 0.00 1.00 -ATOM 1231 C3b BOT B 1 22.718 24.105 0.000 0.00 1.00 -ATOM 1232 C3c BOT B 1 22.718 24.105 3.350 0.00 1.00 -ATOM 1233 C3d BOT B 1 22.718 24.105 6.700 0.00 1.00 -ATOM 1234 C3e BOT B 1 21.490 26.232 0.000 0.00 1.00 -ATOM 1235 C3f BOT B 1 21.490 26.232 3.350 0.00 1.00 -ATOM 1236 C3g BOT B 1 21.490 26.232 6.700 0.00 1.00 -ATOM 1237 C3h BOT B 1 20.262 28.359 0.000 0.00 1.00 -ATOM 1238 C3i BOT B 1 20.262 28.359 3.350 0.00 1.00 -ATOM 1239 C3j BOT B 1 20.262 28.359 6.700 0.00 1.00 -ATOM 1240 C3k BOT B 1 19.034 0.709 0.000 0.00 1.00 -ATOM 1241 C3l BOT B 1 19.034 0.709 3.350 0.00 1.00 -ATOM 1242 C3m BOT B 1 19.034 0.709 6.700 0.00 1.00 -ATOM 1243 C3n BOT B 1 17.806 2.836 0.000 0.00 1.00 -ATOM 1244 C3o BOT B 1 17.806 2.836 3.350 0.00 1.00 -ATOM 1245 C3p BOT B 1 17.806 2.836 6.700 0.00 1.00 -ATOM 1246 C3q BOT B 1 16.578 4.963 0.000 0.00 1.00 -ATOM 1247 C3r BOT B 1 16.578 4.963 3.350 0.00 1.00 -ATOM 1248 C3s BOT B 1 16.578 4.963 6.700 0.00 1.00 -ATOM 1249 C3t BOT B 1 15.350 7.090 0.000 0.00 1.00 -ATOM 1250 C3u BOT B 1 15.350 7.090 3.350 0.00 1.00 -ATOM 1251 C3v BOT B 1 15.350 7.090 6.700 0.00 1.00 -ATOM 1252 C3w BOT B 1 14.122 9.217 0.000 0.00 1.00 -ATOM 1253 C3x BOT B 1 14.122 9.217 3.350 0.00 1.00 -ATOM 1254 C3y BOT B 1 14.122 9.217 6.700 0.00 1.00 -ATOM 1255 C3z BOT B 1 12.894 11.344 0.000 0.00 1.00 -ATOM 1256 C40 BOT B 1 12.894 11.344 3.350 0.00 1.00 -ATOM 1257 C41 BOT B 1 12.894 11.344 6.700 0.00 1.00 -ATOM 1258 C42 BOT B 1 11.666 13.471 0.000 0.00 1.00 -ATOM 1259 C43 BOT B 1 11.666 13.471 3.350 0.00 1.00 -ATOM 1260 C44 BOT B 1 11.666 13.471 6.700 0.00 1.00 -ATOM 1261 C45 BOT B 1 0.614 15.597 0.000 0.00 1.00 -ATOM 1262 C46 BOT B 1 0.614 15.597 3.350 0.00 1.00 -ATOM 1263 C47 BOT B 1 0.614 15.597 6.700 0.00 1.00 -ATOM 1264 C48 BOT B 1 28.858 17.724 0.000 0.00 1.00 -ATOM 1265 C49 BOT B 1 28.858 17.724 3.350 0.00 1.00 -ATOM 1266 C4A BOT B 1 28.858 17.724 6.700 0.00 1.00 -ATOM 1267 C4B BOT B 1 27.630 19.851 0.000 0.00 1.00 -ATOM 1268 C4C BOT B 1 27.630 19.851 3.350 0.00 1.00 -ATOM 1269 C4D BOT B 1 27.630 19.851 6.700 0.00 1.00 -ATOM 1270 C4E BOT B 1 26.402 21.978 0.000 0.00 1.00 -ATOM 1271 C4F BOT B 1 26.402 21.978 3.350 0.00 1.00 -ATOM 1272 C4G BOT B 1 26.402 21.978 6.700 0.00 1.00 -ATOM 1273 C4H BOT B 1 25.174 24.105 0.000 0.00 1.00 -ATOM 1274 C4I BOT B 1 25.174 24.105 3.350 0.00 1.00 -ATOM 1275 C4J BOT B 1 25.174 24.105 6.700 0.00 1.00 -ATOM 1276 C4K BOT B 1 23.946 26.232 0.000 0.00 1.00 -ATOM 1277 C4L BOT B 1 23.946 26.232 3.350 0.00 1.00 -ATOM 1278 C4M BOT B 1 23.946 26.232 6.700 0.00 1.00 -ATOM 1279 C4N BOT B 1 22.718 28.359 0.000 0.00 1.00 -ATOM 1280 C4O BOT B 1 22.718 28.359 3.350 0.00 1.00 -ATOM 1281 C4P BOT B 1 22.718 28.359 6.700 0.00 1.00 -ATOM 1282 C4Q BOT B 1 21.490 0.709 0.000 0.00 1.00 -ATOM 1283 C4R BOT B 1 21.490 0.709 3.350 0.00 1.00 -ATOM 1284 C4S BOT B 1 21.490 0.709 6.700 0.00 1.00 -ATOM 1285 C4T BOT B 1 20.262 2.836 0.000 0.00 1.00 -ATOM 1286 C4U BOT B 1 20.262 2.836 3.350 0.00 1.00 -ATOM 1287 C4V BOT B 1 20.262 2.836 6.700 0.00 1.00 -ATOM 1288 C4W BOT B 1 19.034 4.963 0.000 0.00 1.00 -ATOM 1289 C4X BOT B 1 19.034 4.963 3.350 0.00 1.00 -ATOM 1290 C4Y BOT B 1 19.034 4.963 6.700 0.00 1.00 -ATOM 1291 C4Z BOT B 1 17.806 7.090 0.000 0.00 1.00 -ATOM 1292 C4a BOT B 1 17.806 7.090 3.350 0.00 1.00 -ATOM 1293 C4b BOT B 1 17.806 7.090 6.700 0.00 1.00 -ATOM 1294 C4c BOT B 1 16.578 9.217 0.000 0.00 1.00 -ATOM 1295 C4d BOT B 1 16.578 9.217 3.350 0.00 1.00 -ATOM 1296 C4e BOT B 1 16.578 9.217 6.700 0.00 1.00 -ATOM 1297 C4f BOT B 1 15.350 11.344 0.000 0.00 1.00 -ATOM 1298 C4g BOT B 1 15.350 11.344 3.350 0.00 1.00 -ATOM 1299 C4h BOT B 1 15.350 11.344 6.700 0.00 1.00 -ATOM 1300 C4i BOT B 1 14.122 13.471 0.000 0.00 1.00 -ATOM 1301 C4j BOT B 1 14.122 13.471 3.350 0.00 1.00 -ATOM 1302 C4k BOT B 1 14.122 13.471 6.700 0.00 1.00 -ATOM 1303 C4l BOT B 1 3.070 15.597 0.000 0.00 1.00 -ATOM 1304 C4m BOT B 1 3.070 15.597 3.350 0.00 1.00 -ATOM 1305 C4n BOT B 1 3.070 15.597 6.700 0.00 1.00 -ATOM 1306 C4o BOT B 1 1.842 17.724 0.000 0.00 1.00 -ATOM 1307 C4p BOT B 1 1.842 17.724 3.350 0.00 1.00 -ATOM 1308 C4q BOT B 1 1.842 17.724 6.700 0.00 1.00 -ATOM 1309 C4r BOT B 1 0.614 19.851 0.000 0.00 1.00 -ATOM 1310 C4s BOT B 1 0.614 19.851 3.350 0.00 1.00 -ATOM 1311 C4t BOT B 1 0.614 19.851 6.700 0.00 1.00 -ATOM 1312 C4u BOT B 1 28.858 21.978 0.000 0.00 1.00 -ATOM 1313 C4v BOT B 1 28.858 21.978 3.350 0.00 1.00 -ATOM 1314 C4w BOT B 1 28.858 21.978 6.700 0.00 1.00 -ATOM 1315 C4x BOT B 1 27.630 24.105 0.000 0.00 1.00 -ATOM 1316 C4y BOT B 1 27.630 24.105 3.350 0.00 1.00 -ATOM 1317 C4z BOT B 1 27.630 24.105 6.700 0.00 1.00 -ATOM 1318 C50 BOT B 1 26.402 26.232 0.000 0.00 1.00 -ATOM 1319 C51 BOT B 1 26.402 26.232 3.350 0.00 1.00 -ATOM 1320 C52 BOT B 1 26.402 26.232 6.700 0.00 1.00 -ATOM 1321 C53 BOT B 1 25.174 28.359 0.000 0.00 1.00 -ATOM 1322 C54 BOT B 1 25.174 28.359 3.350 0.00 1.00 -ATOM 1323 C55 BOT B 1 25.174 28.359 6.700 0.00 1.00 -ATOM 1324 C56 BOT B 1 23.946 0.709 0.000 0.00 1.00 -ATOM 1325 C57 BOT B 1 23.946 0.709 3.350 0.00 1.00 -ATOM 1326 C58 BOT B 1 23.946 0.709 6.700 0.00 1.00 -ATOM 1327 C59 BOT B 1 22.718 2.836 0.000 0.00 1.00 -ATOM 1328 C5A BOT B 1 22.718 2.836 3.350 0.00 1.00 -ATOM 1329 C5B BOT B 1 22.718 2.836 6.700 0.00 1.00 -ATOM 1330 C5C BOT B 1 21.490 4.963 0.000 0.00 1.00 -ATOM 1331 C5D BOT B 1 21.490 4.963 3.350 0.00 1.00 -ATOM 1332 C5E BOT B 1 21.490 4.963 6.700 0.00 1.00 -ATOM 1333 C5F BOT B 1 20.262 7.090 0.000 0.00 1.00 -ATOM 1334 C5G BOT B 1 20.262 7.090 3.350 0.00 1.00 -ATOM 1335 C5H BOT B 1 20.262 7.090 6.700 0.00 1.00 -ATOM 1336 C5I BOT B 1 19.034 9.217 0.000 0.00 1.00 -ATOM 1337 C5J BOT B 1 19.034 9.217 3.350 0.00 1.00 -ATOM 1338 C5K BOT B 1 19.034 9.217 6.700 0.00 1.00 -ATOM 1339 C5L BOT B 1 17.806 11.344 0.000 0.00 1.00 -ATOM 1340 C5M BOT B 1 17.806 11.344 3.350 0.00 1.00 -ATOM 1341 C5N BOT B 1 17.806 11.344 6.700 0.00 1.00 -ATOM 1342 C5O BOT B 1 16.578 13.471 0.000 0.00 1.00 -ATOM 1343 C5P BOT B 1 16.578 13.471 3.350 0.00 1.00 -ATOM 1344 C5Q BOT B 1 16.578 13.471 6.700 0.00 1.00 -ATOM 1345 C5R BOT B 1 5.526 15.597 0.000 0.00 1.00 -ATOM 1346 C5S BOT B 1 5.526 15.597 3.350 0.00 1.00 -ATOM 1347 C5T BOT B 1 5.526 15.597 6.700 0.00 1.00 -ATOM 1348 C5U BOT B 1 4.298 17.724 0.000 0.00 1.00 -ATOM 1349 C5V BOT B 1 4.298 17.724 3.350 0.00 1.00 -ATOM 1350 C5W BOT B 1 4.298 17.724 6.700 0.00 1.00 -ATOM 1351 C5X BOT B 1 3.070 19.851 0.000 0.00 1.00 -ATOM 1352 C5Y BOT B 1 3.070 19.851 3.350 0.00 1.00 -ATOM 1353 C5Z BOT B 1 3.070 19.851 6.700 0.00 1.00 -ATOM 1354 C5a BOT B 1 1.842 21.978 0.000 0.00 1.00 -ATOM 1355 C5b BOT B 1 1.842 21.978 3.350 0.00 1.00 -ATOM 1356 C5c BOT B 1 1.842 21.978 6.700 0.00 1.00 -ATOM 1357 C5d BOT B 1 0.614 24.105 0.000 0.00 1.00 -ATOM 1358 C5e BOT B 1 0.614 24.105 3.350 0.00 1.00 -ATOM 1359 C5f BOT B 1 0.614 24.105 6.700 0.00 1.00 -ATOM 1360 C5g BOT B 1 28.858 26.232 0.000 0.00 1.00 -ATOM 1361 C5h BOT B 1 28.858 26.232 3.350 0.00 1.00 -ATOM 1362 C5i BOT B 1 28.858 26.232 6.700 0.00 1.00 -ATOM 1363 C5j BOT B 1 27.630 28.359 0.000 0.00 1.00 -ATOM 1364 C5k BOT B 1 27.630 28.359 3.350 0.00 1.00 -ATOM 1365 C5l BOT B 1 27.630 28.359 6.700 0.00 1.00 -ATOM 1366 C5m BOT B 1 26.402 0.709 0.000 0.00 1.00 -ATOM 1367 C5n BOT B 1 26.402 0.709 3.350 0.00 1.00 -ATOM 1368 C5o BOT B 1 26.402 0.709 6.700 0.00 1.00 -ATOM 1369 C5p BOT B 1 25.174 2.836 0.000 0.00 1.00 -ATOM 1370 C5q BOT B 1 25.174 2.836 3.350 0.00 1.00 -ATOM 1371 C5r BOT B 1 25.174 2.836 6.700 0.00 1.00 -ATOM 1372 C5s BOT B 1 23.946 4.963 0.000 0.00 1.00 -ATOM 1373 C5t BOT B 1 23.946 4.963 3.350 0.00 1.00 -ATOM 1374 C5u BOT B 1 23.946 4.963 6.700 0.00 1.00 -ATOM 1375 C5v BOT B 1 22.718 7.090 0.000 0.00 1.00 -ATOM 1376 C5w BOT B 1 22.718 7.090 3.350 0.00 1.00 -ATOM 1377 C5x BOT B 1 22.718 7.090 6.700 0.00 1.00 -ATOM 1378 C5y BOT B 1 21.490 9.217 0.000 0.00 1.00 -ATOM 1379 C5z BOT B 1 21.490 9.217 3.350 0.00 1.00 -ATOM 1380 C60 BOT B 1 21.490 9.217 6.700 0.00 1.00 -ATOM 1381 C61 BOT B 1 20.262 11.344 0.000 0.00 1.00 -ATOM 1382 C62 BOT B 1 20.262 11.344 3.350 0.00 1.00 -ATOM 1383 C63 BOT B 1 20.262 11.344 6.700 0.00 1.00 -ATOM 1384 C64 BOT B 1 19.034 13.471 0.000 0.00 1.00 -ATOM 1385 C65 BOT B 1 19.034 13.471 3.350 0.00 1.00 -ATOM 1386 C66 BOT B 1 19.034 13.471 6.700 0.00 1.00 -ATOM 1387 C67 BOT B 1 7.982 15.597 0.000 0.00 1.00 -ATOM 1388 C68 BOT B 1 7.982 15.597 3.350 0.00 1.00 -ATOM 1389 C69 BOT B 1 7.982 15.597 6.700 0.00 1.00 -ATOM 1390 C6A BOT B 1 6.754 17.724 0.000 0.00 1.00 -ATOM 1391 C6B BOT B 1 6.754 17.724 3.350 0.00 1.00 -ATOM 1392 C6C BOT B 1 6.754 17.724 6.700 0.00 1.00 -ATOM 1393 C6D BOT B 1 5.526 19.851 0.000 0.00 1.00 -ATOM 1394 C6E BOT B 1 5.526 19.851 3.350 0.00 1.00 -ATOM 1395 C6F BOT B 1 5.526 19.851 6.700 0.00 1.00 -ATOM 1396 C6G BOT B 1 4.298 21.978 0.000 0.00 1.00 -ATOM 1397 C6H BOT B 1 4.298 21.978 3.350 0.00 1.00 -ATOM 1398 C6I BOT B 1 4.298 21.978 6.700 0.00 1.00 -ATOM 1399 C6J BOT B 1 3.070 24.105 0.000 0.00 1.00 -ATOM 1400 C6K BOT B 1 3.070 24.105 3.350 0.00 1.00 -ATOM 1401 C6L BOT B 1 3.070 24.105 6.700 0.00 1.00 -ATOM 1402 C6M BOT B 1 1.842 26.232 0.000 0.00 1.00 -ATOM 1403 C6N BOT B 1 1.842 26.232 3.350 0.00 1.00 -ATOM 1404 C6O BOT B 1 1.842 26.232 6.700 0.00 1.00 -ATOM 1405 C6P BOT B 1 0.614 28.359 0.000 0.00 1.00 -ATOM 1406 C6Q BOT B 1 0.614 28.359 3.350 0.00 1.00 -ATOM 1407 C6R BOT B 1 0.614 28.359 6.700 0.00 1.00 -ATOM 1408 C6S BOT B 1 28.858 0.709 0.000 0.00 1.00 -ATOM 1409 C6T BOT B 1 28.858 0.709 3.350 0.00 1.00 -ATOM 1410 C6U BOT B 1 28.858 0.709 6.700 0.00 1.00 -ATOM 1411 C6V BOT B 1 27.630 2.836 0.000 0.00 1.00 -ATOM 1412 C6W BOT B 1 27.630 2.836 3.350 0.00 1.00 -ATOM 1413 C6X BOT B 1 27.630 2.836 6.700 0.00 1.00 -ATOM 1414 C6Y BOT B 1 26.402 4.963 0.000 0.00 1.00 -ATOM 1415 C6Z BOT B 1 26.402 4.963 3.350 0.00 1.00 -ATOM 1416 C6a BOT B 1 26.402 4.963 6.700 0.00 1.00 -ATOM 1417 C6b BOT B 1 25.174 7.090 0.000 0.00 1.00 -ATOM 1418 C6c BOT B 1 25.174 7.090 3.350 0.00 1.00 -ATOM 1419 C6d BOT B 1 25.174 7.090 6.700 0.00 1.00 -ATOM 1420 C6e BOT B 1 23.946 9.217 0.000 0.00 1.00 -ATOM 1421 C6f BOT B 1 23.946 9.217 3.350 0.00 1.00 -ATOM 1422 C6g BOT B 1 23.946 9.217 6.700 0.00 1.00 -ATOM 1423 C6h BOT B 1 22.718 11.344 0.000 0.00 1.00 -ATOM 1424 C6i BOT B 1 22.718 11.344 3.350 0.00 1.00 -ATOM 1425 C6j BOT B 1 22.718 11.344 6.700 0.00 1.00 -ATOM 1426 C6k BOT B 1 21.490 13.471 0.000 0.00 1.00 -ATOM 1427 C6l BOT B 1 21.490 13.471 3.350 0.00 1.00 -ATOM 1428 C6m BOT B 1 21.490 13.471 6.700 0.00 1.00 -ATOM 1429 C6n BOT B 1 10.438 15.597 0.000 0.00 1.00 -ATOM 1430 C6o BOT B 1 10.438 15.597 3.350 0.00 1.00 -ATOM 1431 C6p BOT B 1 10.438 15.597 6.700 0.00 1.00 -ATOM 1432 C6q BOT B 1 9.210 17.724 0.000 0.00 1.00 -ATOM 1433 C6r BOT B 1 9.210 17.724 3.350 0.00 1.00 -ATOM 1434 C6s BOT B 1 9.210 17.724 6.700 0.00 1.00 -ATOM 1435 C6t BOT B 1 7.982 19.851 0.000 0.00 1.00 -ATOM 1436 C6u BOT B 1 7.982 19.851 3.350 0.00 1.00 -ATOM 1437 C6v BOT B 1 7.982 19.851 6.700 0.00 1.00 -ATOM 1438 C6w BOT B 1 6.754 21.978 0.000 0.00 1.00 -ATOM 1439 C6x BOT B 1 6.754 21.978 3.350 0.00 1.00 -ATOM 1440 C6y BOT B 1 6.754 21.978 6.700 0.00 1.00 -ATOM 1441 C6z BOT B 1 5.526 24.105 0.000 0.00 1.00 -ATOM 1442 C70 BOT B 1 5.526 24.105 3.350 0.00 1.00 -ATOM 1443 C71 BOT B 1 5.526 24.105 6.700 0.00 1.00 -ATOM 1444 C72 BOT B 1 4.298 26.232 0.000 0.00 1.00 -ATOM 1445 C73 BOT B 1 4.298 26.232 3.350 0.00 1.00 -ATOM 1446 C74 BOT B 1 4.298 26.232 6.700 0.00 1.00 -ATOM 1447 C75 BOT B 1 3.070 28.359 0.000 0.00 1.00 -ATOM 1448 C76 BOT B 1 3.070 28.359 3.350 0.00 1.00 -ATOM 1449 C77 BOT B 1 3.070 28.359 6.700 0.00 1.00 -ATOM 1450 C78 BOT B 1 1.842 0.709 0.000 0.00 1.00 -ATOM 1451 C79 BOT B 1 1.842 0.709 3.350 0.00 1.00 -ATOM 1452 C7A BOT B 1 1.842 0.709 6.700 0.00 1.00 -ATOM 1453 C7B BOT B 1 0.614 2.836 0.000 0.00 1.00 -ATOM 1454 C7C BOT B 1 0.614 2.836 3.350 0.00 1.00 -ATOM 1455 C7D BOT B 1 0.614 2.836 6.700 0.00 1.00 -ATOM 1456 C7E BOT B 1 28.858 4.963 0.000 0.00 1.00 -ATOM 1457 C7F BOT B 1 28.858 4.963 3.350 0.00 1.00 -ATOM 1458 C7G BOT B 1 28.858 4.963 6.700 0.00 1.00 -ATOM 1459 C7H BOT B 1 27.630 7.090 0.000 0.00 1.00 -ATOM 1460 C7I BOT B 1 27.630 7.090 3.350 0.00 1.00 -ATOM 1461 C7J BOT B 1 27.630 7.090 6.700 0.00 1.00 -ATOM 1462 C7K BOT B 1 26.402 9.217 0.000 0.00 1.00 -ATOM 1463 C7L BOT B 1 26.402 9.217 3.350 0.00 1.00 -ATOM 1464 C7M BOT B 1 26.402 9.217 6.700 0.00 1.00 -ATOM 1465 C7N BOT B 1 25.174 11.344 0.000 0.00 1.00 -ATOM 1466 C7O BOT B 1 25.174 11.344 3.350 0.00 1.00 -ATOM 1467 C7P BOT B 1 25.174 11.344 6.700 0.00 1.00 -ATOM 1468 C7Q BOT B 1 23.946 13.471 0.000 0.00 1.00 -ATOM 1469 C7R BOT B 1 23.946 13.471 3.350 0.00 1.00 -ATOM 1470 C7S BOT B 1 23.946 13.471 6.700 0.00 1.00 -ATOM 1471 C7T BOT B 1 12.894 15.597 0.000 0.00 1.00 -ATOM 1472 C7U BOT B 1 12.894 15.597 3.350 0.00 1.00 -ATOM 1473 C7V BOT B 1 12.894 15.597 6.700 0.00 1.00 -ATOM 1474 C7W BOT B 1 11.666 17.724 0.000 0.00 1.00 -ATOM 1475 C7X BOT B 1 11.666 17.724 3.350 0.00 1.00 -ATOM 1476 C7Y BOT B 1 11.666 17.724 6.700 0.00 1.00 -ATOM 1477 C7Z BOT B 1 10.438 19.851 0.000 0.00 1.00 -ATOM 1478 C7a BOT B 1 10.438 19.851 3.350 0.00 1.00 -ATOM 1479 C7b BOT B 1 10.438 19.851 6.700 0.00 1.00 -ATOM 1480 C7c BOT B 1 9.210 21.978 0.000 0.00 1.00 -ATOM 1481 C7d BOT B 1 9.210 21.978 3.350 0.00 1.00 -ATOM 1482 C7e BOT B 1 9.210 21.978 6.700 0.00 1.00 -ATOM 1483 C7f BOT B 1 7.982 24.105 0.000 0.00 1.00 -ATOM 1484 C7g BOT B 1 7.982 24.105 3.350 0.00 1.00 -ATOM 1485 C7h BOT B 1 7.982 24.105 6.700 0.00 1.00 -ATOM 1486 C7i BOT B 1 6.754 26.232 0.000 0.00 1.00 -ATOM 1487 C7j BOT B 1 6.754 26.232 3.350 0.00 1.00 -ATOM 1488 C7k BOT B 1 6.754 26.232 6.700 0.00 1.00 -ATOM 1489 C7l BOT B 1 5.526 28.359 0.000 0.00 1.00 -ATOM 1490 C7m BOT B 1 5.526 28.359 3.350 0.00 1.00 -ATOM 1491 C7n BOT B 1 5.526 28.359 6.700 0.00 1.00 -ATOM 1492 C7o BOT B 1 4.298 0.709 0.000 0.00 1.00 -ATOM 1493 C7p BOT B 1 4.298 0.709 3.350 0.00 1.00 -ATOM 1494 C7q BOT B 1 4.298 0.709 6.700 0.00 1.00 -ATOM 1495 C7r BOT B 1 3.070 2.836 0.000 0.00 1.00 -ATOM 1496 C7s BOT B 1 3.070 2.836 3.350 0.00 1.00 -ATOM 1497 C7t BOT B 1 3.070 2.836 6.700 0.00 1.00 -ATOM 1498 C7u BOT B 1 1.842 4.963 0.000 0.00 1.00 -ATOM 1499 C7v BOT B 1 1.842 4.963 3.350 0.00 1.00 -ATOM 1500 C7w BOT B 1 1.842 4.963 6.700 0.00 1.00 -ATOM 1501 C7x BOT B 1 0.614 7.090 0.000 0.00 1.00 -ATOM 1502 C7y BOT B 1 0.614 7.090 3.350 0.00 1.00 -ATOM 1503 C7z BOT B 1 0.614 7.090 6.700 0.00 1.00 -ATOM 1504 C80 BOT B 1 28.858 9.217 0.000 0.00 1.00 -ATOM 1505 C81 BOT B 1 28.858 9.217 3.350 0.00 1.00 -ATOM 1506 C82 BOT B 1 28.858 9.217 6.700 0.00 1.00 -ATOM 1507 C83 BOT B 1 27.630 11.344 0.000 0.00 1.00 -ATOM 1508 C84 BOT B 1 27.630 11.344 3.350 0.00 1.00 -ATOM 1509 C85 BOT B 1 27.630 11.344 6.700 0.00 1.00 -ATOM 1510 C86 BOT B 1 26.402 13.471 0.000 0.00 1.00 -ATOM 1511 C87 BOT B 1 26.402 13.471 3.350 0.00 1.00 -ATOM 1512 C88 BOT B 1 26.402 13.471 6.700 0.00 1.00 -ATOM 1513 C89 BOT B 1 16.578 16.306 0.000 0.00 1.00 -ATOM 1514 C8A BOT B 1 16.578 16.306 3.350 0.00 1.00 -ATOM 1515 C8B BOT B 1 16.578 16.306 6.700 0.00 1.00 -ATOM 1516 C8C BOT B 1 15.350 18.433 0.000 0.00 1.00 -ATOM 1517 C8D BOT B 1 15.350 18.433 3.350 0.00 1.00 -ATOM 1518 C8E BOT B 1 15.350 18.433 6.700 0.00 1.00 -ATOM 1519 C8F BOT B 1 14.122 20.560 0.000 0.00 1.00 -ATOM 1520 C8G BOT B 1 14.122 20.560 3.350 0.00 1.00 -ATOM 1521 C8H BOT B 1 14.122 20.560 6.700 0.00 1.00 -ATOM 1522 C8I BOT B 1 12.894 22.687 0.000 0.00 1.00 -ATOM 1523 C8J BOT B 1 12.894 22.687 3.350 0.00 1.00 -ATOM 1524 C8K BOT B 1 12.894 22.687 6.700 0.00 1.00 -ATOM 1525 C8L BOT B 1 11.666 24.814 0.000 0.00 1.00 -ATOM 1526 C8M BOT B 1 11.666 24.814 3.350 0.00 1.00 -ATOM 1527 C8N BOT B 1 11.666 24.814 6.700 0.00 1.00 -ATOM 1528 C8O BOT B 1 10.438 26.941 0.000 0.00 1.00 -ATOM 1529 C8P BOT B 1 10.438 26.941 3.350 0.00 1.00 -ATOM 1530 C8Q BOT B 1 10.438 26.941 6.700 0.00 1.00 -ATOM 1531 C8R BOT B 1 9.210 29.068 0.000 0.00 1.00 -ATOM 1532 C8S BOT B 1 9.210 29.068 3.350 0.00 1.00 -ATOM 1533 C8T BOT B 1 9.210 29.068 6.700 0.00 1.00 -ATOM 1534 C8U BOT B 1 7.982 1.418 0.000 0.00 1.00 -ATOM 1535 C8V BOT B 1 7.982 1.418 3.350 0.00 1.00 -ATOM 1536 C8W BOT B 1 7.982 1.418 6.700 0.00 1.00 -ATOM 1537 C8X BOT B 1 6.754 3.545 0.000 0.00 1.00 -ATOM 1538 C8Y BOT B 1 6.754 3.545 3.350 0.00 1.00 -ATOM 1539 C8Z BOT B 1 6.754 3.545 6.700 0.00 1.00 -ATOM 1540 C8a BOT B 1 5.526 5.672 0.000 0.00 1.00 -ATOM 1541 C8b BOT B 1 5.526 5.672 3.350 0.00 1.00 -ATOM 1542 C8c BOT B 1 5.526 5.672 6.700 0.00 1.00 -ATOM 1543 C8d BOT B 1 4.298 7.799 0.000 0.00 1.00 -ATOM 1544 C8e BOT B 1 4.298 7.799 3.350 0.00 1.00 -ATOM 1545 C8f BOT B 1 4.298 7.799 6.700 0.00 1.00 -ATOM 1546 C8g BOT B 1 3.070 9.926 0.000 0.00 1.00 -ATOM 1547 C8h BOT B 1 3.070 9.926 3.350 0.00 1.00 -ATOM 1548 C8i BOT B 1 3.070 9.926 6.700 0.00 1.00 -ATOM 1549 C8j BOT B 1 1.842 12.053 0.000 0.00 1.00 -ATOM 1550 C8k BOT B 1 1.842 12.053 3.350 0.00 1.00 -ATOM 1551 C8l BOT B 1 1.842 12.053 6.700 0.00 1.00 -ATOM 1552 C8m BOT B 1 0.614 14.180 0.000 0.00 1.00 -ATOM 1553 C8n BOT B 1 0.614 14.180 3.350 0.00 1.00 -ATOM 1554 C8o BOT B 1 0.614 14.180 6.700 0.00 1.00 -ATOM 1555 C8p BOT B 1 19.034 16.306 0.000 0.00 1.00 -ATOM 1556 C8q BOT B 1 19.034 16.306 3.350 0.00 1.00 -ATOM 1557 C8r BOT B 1 19.034 16.306 6.700 0.00 1.00 -ATOM 1558 C8s BOT B 1 17.806 18.433 0.000 0.00 1.00 -ATOM 1559 C8t BOT B 1 17.806 18.433 3.350 0.00 1.00 -ATOM 1560 C8u BOT B 1 17.806 18.433 6.700 0.00 1.00 -ATOM 1561 C8v BOT B 1 16.578 20.560 0.000 0.00 1.00 -ATOM 1562 C8w BOT B 1 16.578 20.560 3.350 0.00 1.00 -ATOM 1563 C8x BOT B 1 16.578 20.560 6.700 0.00 1.00 -ATOM 1564 C8y BOT B 1 15.350 22.687 0.000 0.00 1.00 -ATOM 1565 C8z BOT B 1 15.350 22.687 3.350 0.00 1.00 -ATOM 1566 C90 BOT B 1 15.350 22.687 6.700 0.00 1.00 -ATOM 1567 C91 BOT B 1 14.122 24.814 0.000 0.00 1.00 -ATOM 1568 C92 BOT B 1 14.122 24.814 3.350 0.00 1.00 -ATOM 1569 C93 BOT B 1 14.122 24.814 6.700 0.00 1.00 -ATOM 1570 C94 BOT B 1 12.894 26.941 0.000 0.00 1.00 -ATOM 1571 C95 BOT B 1 12.894 26.941 3.350 0.00 1.00 -ATOM 1572 C96 BOT B 1 12.894 26.941 6.700 0.00 1.00 -ATOM 1573 C97 BOT B 1 11.666 29.068 0.000 0.00 1.00 -ATOM 1574 C98 BOT B 1 11.666 29.068 3.350 0.00 1.00 -ATOM 1575 C99 BOT B 1 11.666 29.068 6.700 0.00 1.00 -ATOM 1576 C9A BOT B 1 10.438 1.418 0.000 0.00 1.00 -ATOM 1577 C9B BOT B 1 10.438 1.418 3.350 0.00 1.00 -ATOM 1578 C9C BOT B 1 10.438 1.418 6.700 0.00 1.00 -ATOM 1579 C9D BOT B 1 9.210 3.545 0.000 0.00 1.00 -ATOM 1580 C9E BOT B 1 9.210 3.545 3.350 0.00 1.00 -ATOM 1581 C9F BOT B 1 9.210 3.545 6.700 0.00 1.00 -ATOM 1582 C9G BOT B 1 7.982 5.672 0.000 0.00 1.00 -ATOM 1583 C9H BOT B 1 7.982 5.672 3.350 0.00 1.00 -ATOM 1584 C9I BOT B 1 7.982 5.672 6.700 0.00 1.00 -ATOM 1585 C9J BOT B 1 6.754 7.799 0.000 0.00 1.00 -ATOM 1586 C9K BOT B 1 6.754 7.799 3.350 0.00 1.00 -ATOM 1587 C9L BOT B 1 6.754 7.799 6.700 0.00 1.00 -ATOM 1588 C9M BOT B 1 5.526 9.926 0.000 0.00 1.00 -ATOM 1589 C9N BOT B 1 5.526 9.926 3.350 0.00 1.00 -ATOM 1590 C9O BOT B 1 5.526 9.926 6.700 0.00 1.00 -ATOM 1591 C9P BOT B 1 4.298 12.053 0.000 0.00 1.00 -ATOM 1592 C9Q BOT B 1 4.298 12.053 3.350 0.00 1.00 -ATOM 1593 C9R BOT B 1 4.298 12.053 6.700 0.00 1.00 -ATOM 1594 C9S BOT B 1 3.070 14.180 0.000 0.00 1.00 -ATOM 1595 C9T BOT B 1 3.070 14.180 3.350 0.00 1.00 -ATOM 1596 C9U BOT B 1 3.070 14.180 6.700 0.00 1.00 -ATOM 1597 C9V BOT B 1 21.490 16.306 0.000 0.00 1.00 -ATOM 1598 C9W BOT B 1 21.490 16.306 3.350 0.00 1.00 -ATOM 1599 C9X BOT B 1 21.490 16.306 6.700 0.00 1.00 -ATOM 1600 C9Y BOT B 1 20.262 18.433 0.000 0.00 1.00 -ATOM 1601 C9Z BOT B 1 20.262 18.433 3.350 0.00 1.00 -ATOM 1602 C9a BOT B 1 20.262 18.433 6.700 0.00 1.00 -ATOM 1603 C9b BOT B 1 19.034 20.560 0.000 0.00 1.00 -ATOM 1604 C9c BOT B 1 19.034 20.560 3.350 0.00 1.00 -ATOM 1605 C9d BOT B 1 19.034 20.560 6.700 0.00 1.00 -ATOM 1606 C9e BOT B 1 17.806 22.687 0.000 0.00 1.00 -ATOM 1607 C9f BOT B 1 17.806 22.687 3.350 0.00 1.00 -ATOM 1608 C9g BOT B 1 17.806 22.687 6.700 0.00 1.00 -ATOM 1609 C9h BOT B 1 16.578 24.814 0.000 0.00 1.00 -ATOM 1610 C9i BOT B 1 16.578 24.814 3.350 0.00 1.00 -ATOM 1611 C9j BOT B 1 16.578 24.814 6.700 0.00 1.00 -ATOM 1612 C9k BOT B 1 15.350 26.941 0.000 0.00 1.00 -ATOM 1613 C9l BOT B 1 15.350 26.941 3.350 0.00 1.00 -ATOM 1614 C9m BOT B 1 15.350 26.941 6.700 0.00 1.00 -ATOM 1615 C9n BOT B 1 14.122 29.068 0.000 0.00 1.00 -ATOM 1616 C9o BOT B 1 14.122 29.068 3.350 0.00 1.00 -ATOM 1617 C9p BOT B 1 14.122 29.068 6.700 0.00 1.00 -ATOM 1618 C9q BOT B 1 12.894 1.418 0.000 0.00 1.00 -ATOM 1619 C9r BOT B 1 12.894 1.418 3.350 0.00 1.00 -ATOM 1620 C9s BOT B 1 12.894 1.418 6.700 0.00 1.00 -ATOM 1621 C9t BOT B 1 11.666 3.545 0.000 0.00 1.00 -ATOM 1622 C9u BOT B 1 11.666 3.545 3.350 0.00 1.00 -ATOM 1623 C9v BOT B 1 11.666 3.545 6.700 0.00 1.00 -ATOM 1624 C9w BOT B 1 10.438 5.672 0.000 0.00 1.00 -ATOM 1625 C9x BOT B 1 10.438 5.672 3.350 0.00 1.00 -ATOM 1626 C9y BOT B 1 10.438 5.672 6.700 0.00 1.00 -ATOM 1627 C9z BOT B 1 9.210 7.799 0.000 0.00 1.00 -ATOM 1628 CA0 BOT B 1 9.210 7.799 3.350 0.00 1.00 -ATOM 1629 CA1 BOT B 1 9.210 7.799 6.700 0.00 1.00 -ATOM 1630 CA2 BOT B 1 7.982 9.926 0.000 0.00 1.00 -ATOM 1631 CA3 BOT B 1 7.982 9.926 3.350 0.00 1.00 -ATOM 1632 CA4 BOT B 1 7.982 9.926 6.700 0.00 1.00 -ATOM 1633 CA5 BOT B 1 6.754 12.053 0.000 0.00 1.00 -ATOM 1634 CA6 BOT B 1 6.754 12.053 3.350 0.00 1.00 -ATOM 1635 CA7 BOT B 1 6.754 12.053 6.700 0.00 1.00 -ATOM 1636 CA8 BOT B 1 5.526 14.180 0.000 0.00 1.00 -ATOM 1637 CA9 BOT B 1 5.526 14.180 3.350 0.00 1.00 -ATOM 1638 CAA BOT B 1 5.526 14.180 6.700 0.00 1.00 -ATOM 1639 CAB BOT B 1 23.946 16.306 0.000 0.00 1.00 -ATOM 1640 CAC BOT B 1 23.946 16.306 3.350 0.00 1.00 -ATOM 1641 CAD BOT B 1 23.946 16.306 6.700 0.00 1.00 -ATOM 1642 CAE BOT B 1 22.718 18.433 0.000 0.00 1.00 -ATOM 1643 CAF BOT B 1 22.718 18.433 3.350 0.00 1.00 -ATOM 1644 CAG BOT B 1 22.718 18.433 6.700 0.00 1.00 -ATOM 1645 CAH BOT B 1 21.490 20.560 0.000 0.00 1.00 -ATOM 1646 CAI BOT B 1 21.490 20.560 3.350 0.00 1.00 -ATOM 1647 CAJ BOT B 1 21.490 20.560 6.700 0.00 1.00 -ATOM 1648 CAK BOT B 1 20.262 22.687 0.000 0.00 1.00 -ATOM 1649 CAL BOT B 1 20.262 22.687 3.350 0.00 1.00 -ATOM 1650 CAM BOT B 1 20.262 22.687 6.700 0.00 1.00 -ATOM 1651 CAN BOT B 1 19.034 24.814 0.000 0.00 1.00 -ATOM 1652 CAO BOT B 1 19.034 24.814 3.350 0.00 1.00 -ATOM 1653 CAP BOT B 1 19.034 24.814 6.700 0.00 1.00 -ATOM 1654 CAQ BOT B 1 17.806 26.941 0.000 0.00 1.00 -ATOM 1655 CAR BOT B 1 17.806 26.941 3.350 0.00 1.00 -ATOM 1656 CAS BOT B 1 17.806 26.941 6.700 0.00 1.00 -ATOM 1657 CAT BOT B 1 16.578 29.068 0.000 0.00 1.00 -ATOM 1658 CAU BOT B 1 16.578 29.068 3.350 0.00 1.00 -ATOM 1659 CAV BOT B 1 16.578 29.068 6.700 0.00 1.00 -ATOM 1660 CAW BOT B 1 15.350 1.418 0.000 0.00 1.00 -ATOM 1661 CAX BOT B 1 15.350 1.418 3.350 0.00 1.00 -ATOM 1662 CAY BOT B 1 15.350 1.418 6.700 0.00 1.00 -ATOM 1663 CAZ BOT B 1 14.122 3.545 0.000 0.00 1.00 -ATOM 1664 CAa BOT B 1 14.122 3.545 3.350 0.00 1.00 -ATOM 1665 CAb BOT B 1 14.122 3.545 6.700 0.00 1.00 -ATOM 1666 CAc BOT B 1 12.894 5.672 0.000 0.00 1.00 -ATOM 1667 CAd BOT B 1 12.894 5.672 3.350 0.00 1.00 -ATOM 1668 CAe BOT B 1 12.894 5.672 6.700 0.00 1.00 -ATOM 1669 CAf BOT B 1 11.666 7.799 0.000 0.00 1.00 -ATOM 1670 CAg BOT B 1 11.666 7.799 3.350 0.00 1.00 -ATOM 1671 CAh BOT B 1 11.666 7.799 6.700 0.00 1.00 -ATOM 1672 CAi BOT B 1 10.438 9.926 0.000 0.00 1.00 -ATOM 1673 CAj BOT B 1 10.438 9.926 3.350 0.00 1.00 -ATOM 1674 CAk BOT B 1 10.438 9.926 6.700 0.00 1.00 -ATOM 1675 CAl BOT B 1 9.210 12.053 0.000 0.00 1.00 -ATOM 1676 CAm BOT B 1 9.210 12.053 3.350 0.00 1.00 -ATOM 1677 CAn BOT B 1 9.210 12.053 6.700 0.00 1.00 -ATOM 1678 CAo BOT B 1 7.982 14.180 0.000 0.00 1.00 -ATOM 1679 CAp BOT B 1 7.982 14.180 3.350 0.00 1.00 -ATOM 1680 CAq BOT B 1 7.982 14.180 6.700 0.00 1.00 -ATOM 1681 CAr BOT B 1 26.402 16.306 0.000 0.00 1.00 -ATOM 1682 CAs BOT B 1 26.402 16.306 3.350 0.00 1.00 -ATOM 1683 CAt BOT B 1 26.402 16.306 6.700 0.00 1.00 -ATOM 1684 CAu BOT B 1 25.174 18.433 0.000 0.00 1.00 -ATOM 1685 CAv BOT B 1 25.174 18.433 3.350 0.00 1.00 -ATOM 1686 CAw BOT B 1 25.174 18.433 6.700 0.00 1.00 -ATOM 1687 CAx BOT B 1 23.946 20.560 0.000 0.00 1.00 -ATOM 1688 CAy BOT B 1 23.946 20.560 3.350 0.00 1.00 -ATOM 1689 CAz BOT B 1 23.946 20.560 6.700 0.00 1.00 -ATOM 1690 CB0 BOT B 1 22.718 22.687 0.000 0.00 1.00 -ATOM 1691 CB1 BOT B 1 22.718 22.687 3.350 0.00 1.00 -ATOM 1692 CB2 BOT B 1 22.718 22.687 6.700 0.00 1.00 -ATOM 1693 CB3 BOT B 1 21.490 24.814 0.000 0.00 1.00 -ATOM 1694 CB4 BOT B 1 21.490 24.814 3.350 0.00 1.00 -ATOM 1695 CB5 BOT B 1 21.490 24.814 6.700 0.00 1.00 -ATOM 1696 CB6 BOT B 1 20.262 26.941 0.000 0.00 1.00 -ATOM 1697 CB7 BOT B 1 20.262 26.941 3.350 0.00 1.00 -ATOM 1698 CB8 BOT B 1 20.262 26.941 6.700 0.00 1.00 -ATOM 1699 CB9 BOT B 1 19.034 29.068 0.000 0.00 1.00 -ATOM 1700 CBA BOT B 1 19.034 29.068 3.350 0.00 1.00 -ATOM 1701 CBB BOT B 1 19.034 29.068 6.700 0.00 1.00 -ATOM 1702 CBC BOT B 1 17.806 1.418 0.000 0.00 1.00 -ATOM 1703 CBD BOT B 1 17.806 1.418 3.350 0.00 1.00 -ATOM 1704 CBE BOT B 1 17.806 1.418 6.700 0.00 1.00 -ATOM 1705 CBF BOT B 1 16.578 3.545 0.000 0.00 1.00 -ATOM 1706 CBG BOT B 1 16.578 3.545 3.350 0.00 1.00 -ATOM 1707 CBH BOT B 1 16.578 3.545 6.700 0.00 1.00 -ATOM 1708 CBI BOT B 1 15.350 5.672 0.000 0.00 1.00 -ATOM 1709 CBJ BOT B 1 15.350 5.672 3.350 0.00 1.00 -ATOM 1710 CBK BOT B 1 15.350 5.672 6.700 0.00 1.00 -ATOM 1711 CBL BOT B 1 14.122 7.799 0.000 0.00 1.00 -ATOM 1712 CBM BOT B 1 14.122 7.799 3.350 0.00 1.00 -ATOM 1713 CBN BOT B 1 14.122 7.799 6.700 0.00 1.00 -ATOM 1714 CBO BOT B 1 12.894 9.926 0.000 0.00 1.00 -ATOM 1715 CBP BOT B 1 12.894 9.926 3.350 0.00 1.00 -ATOM 1716 CBQ BOT B 1 12.894 9.926 6.700 0.00 1.00 -ATOM 1717 CBR BOT B 1 11.666 12.053 0.000 0.00 1.00 -ATOM 1718 CBS BOT B 1 11.666 12.053 3.350 0.00 1.00 -ATOM 1719 CBT BOT B 1 11.666 12.053 6.700 0.00 1.00 -ATOM 1720 CBU BOT B 1 10.438 14.180 0.000 0.00 1.00 -ATOM 1721 CBV BOT B 1 10.438 14.180 3.350 0.00 1.00 -ATOM 1722 CBW BOT B 1 10.438 14.180 6.700 0.00 1.00 -ATOM 1723 CBX BOT B 1 28.858 16.306 0.000 0.00 1.00 -ATOM 1724 CBY BOT B 1 28.858 16.306 3.350 0.00 1.00 -ATOM 1725 CBZ BOT B 1 28.858 16.306 6.700 0.00 1.00 -ATOM 1726 CBa BOT B 1 27.630 18.433 0.000 0.00 1.00 -ATOM 1727 CBb BOT B 1 27.630 18.433 3.350 0.00 1.00 -ATOM 1728 CBc BOT B 1 27.630 18.433 6.700 0.00 1.00 -ATOM 1729 CBd BOT B 1 26.402 20.560 0.000 0.00 1.00 -ATOM 1730 CBe BOT B 1 26.402 20.560 3.350 0.00 1.00 -ATOM 1731 CBf BOT B 1 26.402 20.560 6.700 0.00 1.00 -ATOM 1732 CBg BOT B 1 25.174 22.687 0.000 0.00 1.00 -ATOM 1733 CBh BOT B 1 25.174 22.687 3.350 0.00 1.00 -ATOM 1734 CBi BOT B 1 25.174 22.687 6.700 0.00 1.00 -ATOM 1735 CBj BOT B 1 23.946 24.814 0.000 0.00 1.00 -ATOM 1736 CBk BOT B 1 23.946 24.814 3.350 0.00 1.00 -ATOM 1737 CBl BOT B 1 23.946 24.814 6.700 0.00 1.00 -ATOM 1738 CBm BOT B 1 22.718 26.941 0.000 0.00 1.00 -ATOM 1739 CBn BOT B 1 22.718 26.941 3.350 0.00 1.00 -ATOM 1740 CBo BOT B 1 22.718 26.941 6.700 0.00 1.00 -ATOM 1741 CBp BOT B 1 21.490 29.068 0.000 0.00 1.00 -ATOM 1742 CBq BOT B 1 21.490 29.068 3.350 0.00 1.00 -ATOM 1743 CBr BOT B 1 21.490 29.068 6.700 0.00 1.00 -ATOM 1744 CBs BOT B 1 20.262 1.418 0.000 0.00 1.00 -ATOM 1745 CBt BOT B 1 20.262 1.418 3.350 0.00 1.00 -ATOM 1746 CBu BOT B 1 20.262 1.418 6.700 0.00 1.00 -ATOM 1747 CBv BOT B 1 19.034 3.545 0.000 0.00 1.00 -ATOM 1748 CBw BOT B 1 19.034 3.545 3.350 0.00 1.00 -ATOM 1749 CBx BOT B 1 19.034 3.545 6.700 0.00 1.00 -ATOM 1750 CBy BOT B 1 17.806 5.672 0.000 0.00 1.00 -ATOM 1751 CBz BOT B 1 17.806 5.672 3.350 0.00 1.00 -ATOM 1752 CC0 BOT B 1 17.806 5.672 6.700 0.00 1.00 -ATOM 1753 CC1 BOT B 1 16.578 7.799 0.000 0.00 1.00 -ATOM 1754 CC2 BOT B 1 16.578 7.799 3.350 0.00 1.00 -ATOM 1755 CC3 BOT B 1 16.578 7.799 6.700 0.00 1.00 -ATOM 1756 CC4 BOT B 1 15.350 9.926 0.000 0.00 1.00 -ATOM 1757 CC5 BOT B 1 15.350 9.926 3.350 0.00 1.00 -ATOM 1758 CC6 BOT B 1 15.350 9.926 6.700 0.00 1.00 -ATOM 1759 CC7 BOT B 1 14.122 12.053 0.000 0.00 1.00 -ATOM 1760 CC8 BOT B 1 14.122 12.053 3.350 0.00 1.00 -ATOM 1761 CC9 BOT B 1 14.122 12.053 6.700 0.00 1.00 -ATOM 1762 CCA BOT B 1 12.894 14.180 0.000 0.00 1.00 -ATOM 1763 CCB BOT B 1 12.894 14.180 3.350 0.00 1.00 -ATOM 1764 CCC BOT B 1 12.894 14.180 6.700 0.00 1.00 -ATOM 1765 CCD BOT B 1 1.842 16.306 0.000 0.00 1.00 -ATOM 1766 CCE BOT B 1 1.842 16.306 3.350 0.00 1.00 -ATOM 1767 CCF BOT B 1 1.842 16.306 6.700 0.00 1.00 -ATOM 1768 CCG BOT B 1 0.614 18.433 0.000 0.00 1.00 -ATOM 1769 CCH BOT B 1 0.614 18.433 3.350 0.00 1.00 -ATOM 1770 CCI BOT B 1 0.614 18.433 6.700 0.00 1.00 -ATOM 1771 CCJ BOT B 1 28.858 20.560 0.000 0.00 1.00 -ATOM 1772 CCK BOT B 1 28.858 20.560 3.350 0.00 1.00 -ATOM 1773 CCL BOT B 1 28.858 20.560 6.700 0.00 1.00 -ATOM 1774 CCM BOT B 1 27.630 22.687 0.000 0.00 1.00 -ATOM 1775 CCN BOT B 1 27.630 22.687 3.350 0.00 1.00 -ATOM 1776 CCO BOT B 1 27.630 22.687 6.700 0.00 1.00 -ATOM 1777 CCP BOT B 1 26.402 24.814 0.000 0.00 1.00 -ATOM 1778 CCQ BOT B 1 26.402 24.814 3.350 0.00 1.00 -ATOM 1779 CCR BOT B 1 26.402 24.814 6.700 0.00 1.00 -ATOM 1780 CCS BOT B 1 25.174 26.941 0.000 0.00 1.00 -ATOM 1781 CCT BOT B 1 25.174 26.941 3.350 0.00 1.00 -ATOM 1782 CCU BOT B 1 25.174 26.941 6.700 0.00 1.00 -ATOM 1783 CCV BOT B 1 23.946 29.068 0.000 0.00 1.00 -ATOM 1784 CCW BOT B 1 23.946 29.068 3.350 0.00 1.00 -ATOM 1785 CCX BOT B 1 23.946 29.068 6.700 0.00 1.00 -ATOM 1786 CCY BOT B 1 22.718 1.418 0.000 0.00 1.00 -ATOM 1787 CCZ BOT B 1 22.718 1.418 3.350 0.00 1.00 -ATOM 1788 CCa BOT B 1 22.718 1.418 6.700 0.00 1.00 -ATOM 1789 CCb BOT B 1 21.490 3.545 0.000 0.00 1.00 -ATOM 1790 CCc BOT B 1 21.490 3.545 3.350 0.00 1.00 -ATOM 1791 CCd BOT B 1 21.490 3.545 6.700 0.00 1.00 -ATOM 1792 CCe BOT B 1 20.262 5.672 0.000 0.00 1.00 -ATOM 1793 CCf BOT B 1 20.262 5.672 3.350 0.00 1.00 -ATOM 1794 CCg BOT B 1 20.262 5.672 6.700 0.00 1.00 -ATOM 1795 CCh BOT B 1 19.034 7.799 0.000 0.00 1.00 -ATOM 1796 CCi BOT B 1 19.034 7.799 3.350 0.00 1.00 -ATOM 1797 CCj BOT B 1 19.034 7.799 6.700 0.00 1.00 -ATOM 1798 CCk BOT B 1 17.806 9.926 0.000 0.00 1.00 -ATOM 1799 CCl BOT B 1 17.806 9.926 3.350 0.00 1.00 -ATOM 1800 CCm BOT B 1 17.806 9.926 6.700 0.00 1.00 -ATOM 1801 CCn BOT B 1 16.578 12.053 0.000 0.00 1.00 -ATOM 1802 CCo BOT B 1 16.578 12.053 3.350 0.00 1.00 -ATOM 1803 CCp BOT B 1 16.578 12.053 6.700 0.00 1.00 -ATOM 1804 CCq BOT B 1 15.350 14.180 0.000 0.00 1.00 -ATOM 1805 CCr BOT B 1 15.350 14.180 3.350 0.00 1.00 -ATOM 1806 CCs BOT B 1 15.350 14.180 6.700 0.00 1.00 -ATOM 1807 CCt BOT B 1 4.298 16.306 0.000 0.00 1.00 -ATOM 1808 CCu BOT B 1 4.298 16.306 3.350 0.00 1.00 -ATOM 1809 CCv BOT B 1 4.298 16.306 6.700 0.00 1.00 -ATOM 1810 CCw BOT B 1 3.070 18.433 0.000 0.00 1.00 -ATOM 1811 CCx BOT B 1 3.070 18.433 3.350 0.00 1.00 -ATOM 1812 CCy BOT B 1 3.070 18.433 6.700 0.00 1.00 -ATOM 1813 CCz BOT B 1 1.842 20.560 0.000 0.00 1.00 -ATOM 1814 CD0 BOT B 1 1.842 20.560 3.350 0.00 1.00 -ATOM 1815 CD1 BOT B 1 1.842 20.560 6.700 0.00 1.00 -ATOM 1816 CD2 BOT B 1 0.614 22.687 0.000 0.00 1.00 -ATOM 1817 CD3 BOT B 1 0.614 22.687 3.350 0.00 1.00 -ATOM 1818 CD4 BOT B 1 0.614 22.687 6.700 0.00 1.00 -ATOM 1819 CD5 BOT B 1 28.858 24.814 0.000 0.00 1.00 -ATOM 1820 CD6 BOT B 1 28.858 24.814 3.350 0.00 1.00 -ATOM 1821 CD7 BOT B 1 28.858 24.814 6.700 0.00 1.00 -ATOM 1822 CD8 BOT B 1 27.630 26.941 0.000 0.00 1.00 -ATOM 1823 CD9 BOT B 1 27.630 26.941 3.350 0.00 1.00 -ATOM 1824 CDA BOT B 1 27.630 26.941 6.700 0.00 1.00 -ATOM 1825 CDB BOT B 1 26.402 29.068 0.000 0.00 1.00 -ATOM 1826 CDC BOT B 1 26.402 29.068 3.350 0.00 1.00 -ATOM 1827 CDD BOT B 1 26.402 29.068 6.700 0.00 1.00 -ATOM 1828 CDE BOT B 1 25.174 1.418 0.000 0.00 1.00 -ATOM 1829 CDF BOT B 1 25.174 1.418 3.350 0.00 1.00 -ATOM 1830 CDG BOT B 1 25.174 1.418 6.700 0.00 1.00 -ATOM 1831 CDH BOT B 1 23.946 3.545 0.000 0.00 1.00 -ATOM 1832 CDI BOT B 1 23.946 3.545 3.350 0.00 1.00 -ATOM 1833 CDJ BOT B 1 23.946 3.545 6.700 0.00 1.00 -ATOM 1834 CDK BOT B 1 22.718 5.672 0.000 0.00 1.00 -ATOM 1835 CDL BOT B 1 22.718 5.672 3.350 0.00 1.00 -ATOM 1836 CDM BOT B 1 22.718 5.672 6.700 0.00 1.00 -ATOM 1837 CDN BOT B 1 21.490 7.799 0.000 0.00 1.00 -ATOM 1838 CDO BOT B 1 21.490 7.799 3.350 0.00 1.00 -ATOM 1839 CDP BOT B 1 21.490 7.799 6.700 0.00 1.00 -ATOM 1840 CDQ BOT B 1 20.262 9.926 0.000 0.00 1.00 -ATOM 1841 CDR BOT B 1 20.262 9.926 3.350 0.00 1.00 -ATOM 1842 CDS BOT B 1 20.262 9.926 6.700 0.00 1.00 -ATOM 1843 CDT BOT B 1 19.034 12.053 0.000 0.00 1.00 -ATOM 1844 CDU BOT B 1 19.034 12.053 3.350 0.00 1.00 -ATOM 1845 CDV BOT B 1 19.034 12.053 6.700 0.00 1.00 -ATOM 1846 CDW BOT B 1 17.806 14.180 0.000 0.00 1.00 -ATOM 1847 CDX BOT B 1 17.806 14.180 3.350 0.00 1.00 -ATOM 1848 CDY BOT B 1 17.806 14.180 6.700 0.00 1.00 -ATOM 1849 CDZ BOT B 1 6.754 16.306 0.000 0.00 1.00 -ATOM 1850 CDa BOT B 1 6.754 16.306 3.350 0.00 1.00 -ATOM 1851 CDb BOT B 1 6.754 16.306 6.700 0.00 1.00 -ATOM 1852 CDc BOT B 1 5.526 18.433 0.000 0.00 1.00 -ATOM 1853 CDd BOT B 1 5.526 18.433 3.350 0.00 1.00 -ATOM 1854 CDe BOT B 1 5.526 18.433 6.700 0.00 1.00 -ATOM 1855 CDf BOT B 1 4.298 20.560 0.000 0.00 1.00 -ATOM 1856 CDg BOT B 1 4.298 20.560 3.350 0.00 1.00 -ATOM 1857 CDh BOT B 1 4.298 20.560 6.700 0.00 1.00 -ATOM 1858 CDi BOT B 1 3.070 22.687 0.000 0.00 1.00 -ATOM 1859 CDj BOT B 1 3.070 22.687 3.350 0.00 1.00 -ATOM 1860 CDk BOT B 1 3.070 22.687 6.700 0.00 1.00 -ATOM 1861 CDl BOT B 1 1.842 24.814 0.000 0.00 1.00 -ATOM 1862 CDm BOT B 1 1.842 24.814 3.350 0.00 1.00 -ATOM 1863 CDn BOT B 1 1.842 24.814 6.700 0.00 1.00 -ATOM 1864 CDo BOT B 1 0.614 26.941 0.000 0.00 1.00 -ATOM 1865 CDp BOT B 1 0.614 26.941 3.350 0.00 1.00 -ATOM 1866 CDq BOT B 1 0.614 26.941 6.700 0.00 1.00 -ATOM 1867 CDr BOT B 1 28.858 29.068 0.000 0.00 1.00 -ATOM 1868 CDs BOT B 1 28.858 29.068 3.350 0.00 1.00 -ATOM 1869 CDt BOT B 1 28.858 29.068 6.700 0.00 1.00 -ATOM 1870 CDu BOT B 1 27.630 1.418 0.000 0.00 1.00 -ATOM 1871 CDv BOT B 1 27.630 1.418 3.350 0.00 1.00 -ATOM 1872 CDw BOT B 1 27.630 1.418 6.700 0.00 1.00 -ATOM 1873 CDx BOT B 1 26.402 3.545 0.000 0.00 1.00 -ATOM 1874 CDy BOT B 1 26.402 3.545 3.350 0.00 1.00 -ATOM 1875 CDz BOT B 1 26.402 3.545 6.700 0.00 1.00 -ATOM 1876 CE0 BOT B 1 25.174 5.672 0.000 0.00 1.00 -ATOM 1877 CE1 BOT B 1 25.174 5.672 3.350 0.00 1.00 -ATOM 1878 CE2 BOT B 1 25.174 5.672 6.700 0.00 1.00 -ATOM 1879 CE3 BOT B 1 23.946 7.799 0.000 0.00 1.00 -ATOM 1880 CE4 BOT B 1 23.946 7.799 3.350 0.00 1.00 -ATOM 1881 CE5 BOT B 1 23.946 7.799 6.700 0.00 1.00 -ATOM 1882 CE6 BOT B 1 22.718 9.926 0.000 0.00 1.00 -ATOM 1883 CE7 BOT B 1 22.718 9.926 3.350 0.00 1.00 -ATOM 1884 CE8 BOT B 1 22.718 9.926 6.700 0.00 1.00 -ATOM 1885 CE9 BOT B 1 21.490 12.053 0.000 0.00 1.00 -ATOM 1886 CEA BOT B 1 21.490 12.053 3.350 0.00 1.00 -ATOM 1887 CEB BOT B 1 21.490 12.053 6.700 0.00 1.00 -ATOM 1888 CEC BOT B 1 20.262 14.180 0.000 0.00 1.00 -ATOM 1889 CED BOT B 1 20.262 14.180 3.350 0.00 1.00 -ATOM 1890 CEE BOT B 1 20.262 14.180 6.700 0.00 1.00 -ATOM 1891 CEF BOT B 1 9.210 16.306 0.000 0.00 1.00 -ATOM 1892 CEG BOT B 1 9.210 16.306 3.350 0.00 1.00 -ATOM 1893 CEH BOT B 1 9.210 16.306 6.700 0.00 1.00 -ATOM 1894 CEI BOT B 1 7.982 18.433 0.000 0.00 1.00 -ATOM 1895 CEJ BOT B 1 7.982 18.433 3.350 0.00 1.00 -ATOM 1896 CEK BOT B 1 7.982 18.433 6.700 0.00 1.00 -ATOM 1897 CEL BOT B 1 6.754 20.560 0.000 0.00 1.00 -ATOM 1898 CEM BOT B 1 6.754 20.560 3.350 0.00 1.00 -ATOM 1899 CEN BOT B 1 6.754 20.560 6.700 0.00 1.00 -ATOM 1900 CEO BOT B 1 5.526 22.687 0.000 0.00 1.00 -ATOM 1901 CEP BOT B 1 5.526 22.687 3.350 0.00 1.00 -ATOM 1902 CEQ BOT B 1 5.526 22.687 6.700 0.00 1.00 -ATOM 1903 CER BOT B 1 4.298 24.814 0.000 0.00 1.00 -ATOM 1904 CES BOT B 1 4.298 24.814 3.350 0.00 1.00 -ATOM 1905 CET BOT B 1 4.298 24.814 6.700 0.00 1.00 -ATOM 1906 CEU BOT B 1 3.070 26.941 0.000 0.00 1.00 -ATOM 1907 CEV BOT B 1 3.070 26.941 3.350 0.00 1.00 -ATOM 1908 CEW BOT B 1 3.070 26.941 6.700 0.00 1.00 -ATOM 1909 CEX BOT B 1 1.842 29.068 0.000 0.00 1.00 -ATOM 1910 CEY BOT B 1 1.842 29.068 3.350 0.00 1.00 -ATOM 1911 CEZ BOT B 1 1.842 29.068 6.700 0.00 1.00 -ATOM 1912 CEa BOT B 1 0.614 1.418 0.000 0.00 1.00 -ATOM 1913 CEb BOT B 1 0.614 1.418 3.350 0.00 1.00 -ATOM 1914 CEc BOT B 1 0.614 1.418 6.700 0.00 1.00 -ATOM 1915 CEd BOT B 1 28.858 3.545 0.000 0.00 1.00 -ATOM 1916 CEe BOT B 1 28.858 3.545 3.350 0.00 1.00 -ATOM 1917 CEf BOT B 1 28.858 3.545 6.700 0.00 1.00 -ATOM 1918 CEg BOT B 1 27.630 5.672 0.000 0.00 1.00 -ATOM 1919 CEh BOT B 1 27.630 5.672 3.350 0.00 1.00 -ATOM 1920 CEi BOT B 1 27.630 5.672 6.700 0.00 1.00 -ATOM 1921 CEj BOT B 1 26.402 7.799 0.000 0.00 1.00 -ATOM 1922 CEk BOT B 1 26.402 7.799 3.350 0.00 1.00 -ATOM 1923 CEl BOT B 1 26.402 7.799 6.700 0.00 1.00 -ATOM 1924 CEm BOT B 1 25.174 9.926 0.000 0.00 1.00 -ATOM 1925 CEn BOT B 1 25.174 9.926 3.350 0.00 1.00 -ATOM 1926 CEo BOT B 1 25.174 9.926 6.700 0.00 1.00 -ATOM 1927 CEp BOT B 1 23.946 12.053 0.000 0.00 1.00 -ATOM 1928 CEq BOT B 1 23.946 12.053 3.350 0.00 1.00 -ATOM 1929 CEr BOT B 1 23.946 12.053 6.700 0.00 1.00 -ATOM 1930 CEs BOT B 1 22.718 14.180 0.000 0.00 1.00 -ATOM 1931 CEt BOT B 1 22.718 14.180 3.350 0.00 1.00 -ATOM 1932 CEu BOT B 1 22.718 14.180 6.700 0.00 1.00 -ATOM 1933 CEv BOT B 1 11.666 16.306 0.000 0.00 1.00 -ATOM 1934 CEw BOT B 1 11.666 16.306 3.350 0.00 1.00 -ATOM 1935 CEx BOT B 1 11.666 16.306 6.700 0.00 1.00 -ATOM 1936 CEy BOT B 1 10.438 18.433 0.000 0.00 1.00 -ATOM 1937 CEz BOT B 1 10.438 18.433 3.350 0.00 1.00 -ATOM 1938 CF0 BOT B 1 10.438 18.433 6.700 0.00 1.00 -ATOM 1939 CF1 BOT B 1 9.210 20.560 0.000 0.00 1.00 -ATOM 1940 CF2 BOT B 1 9.210 20.560 3.350 0.00 1.00 -ATOM 1941 CF3 BOT B 1 9.210 20.560 6.700 0.00 1.00 -ATOM 1942 CF4 BOT B 1 7.982 22.687 0.000 0.00 1.00 -ATOM 1943 CF5 BOT B 1 7.982 22.687 3.350 0.00 1.00 -ATOM 1944 CF6 BOT B 1 7.982 22.687 6.700 0.00 1.00 -ATOM 1945 CF7 BOT B 1 6.754 24.814 0.000 0.00 1.00 -ATOM 1946 CF8 BOT B 1 6.754 24.814 3.350 0.00 1.00 -ATOM 1947 CF9 BOT B 1 6.754 24.814 6.700 0.00 1.00 -ATOM 1948 CFA BOT B 1 5.526 26.941 0.000 0.00 1.00 -ATOM 1949 CFB BOT B 1 5.526 26.941 3.350 0.00 1.00 -ATOM 1950 CFC BOT B 1 5.526 26.941 6.700 0.00 1.00 -ATOM 1951 CFD BOT B 1 4.298 29.068 0.000 0.00 1.00 -ATOM 1952 CFE BOT B 1 4.298 29.068 3.350 0.00 1.00 -ATOM 1953 CFF BOT B 1 4.298 29.068 6.700 0.00 1.00 -ATOM 1954 CFG BOT B 1 3.070 1.418 0.000 0.00 1.00 -ATOM 1955 CFH BOT B 1 3.070 1.418 3.350 0.00 1.00 -ATOM 1956 CFI BOT B 1 3.070 1.418 6.700 0.00 1.00 -ATOM 1957 CFJ BOT B 1 1.842 3.545 0.000 0.00 1.00 -ATOM 1958 CFK BOT B 1 1.842 3.545 3.350 0.00 1.00 -ATOM 1959 CFL BOT B 1 1.842 3.545 6.700 0.00 1.00 -ATOM 1960 CFM BOT B 1 0.614 5.672 0.000 0.00 1.00 -ATOM 1961 CFN BOT B 1 0.614 5.672 3.350 0.00 1.00 -ATOM 1962 CFO BOT B 1 0.614 5.672 6.700 0.00 1.00 -ATOM 1963 CFP BOT B 1 28.858 7.799 0.000 0.00 1.00 -ATOM 1964 CFQ BOT B 1 28.858 7.799 3.350 0.00 1.00 -ATOM 1965 CFR BOT B 1 28.858 7.799 6.700 0.00 1.00 -ATOM 1966 CFS BOT B 1 27.630 9.926 0.000 0.00 1.00 -ATOM 1967 CFT BOT B 1 27.630 9.926 3.350 0.00 1.00 -ATOM 1968 CFU BOT B 1 27.630 9.926 6.700 0.00 1.00 -ATOM 1969 CFV BOT B 1 26.402 12.053 0.000 0.00 1.00 -ATOM 1970 CFW BOT B 1 26.402 12.053 3.350 0.00 1.00 -ATOM 1971 CFX BOT B 1 26.402 12.053 6.700 0.00 1.00 -ATOM 1972 CFY BOT B 1 25.174 14.180 0.000 0.00 1.00 -ATOM 1973 CFZ BOT B 1 25.174 14.180 3.350 0.00 1.00 -ATOM 1974 CFa BOT B 1 25.174 14.180 6.700 0.00 1.00 -ATOM 1975 CFb BOT B 1 14.122 16.306 0.000 0.00 1.00 -ATOM 1976 CFc BOT B 1 14.122 16.306 3.350 0.00 1.00 -ATOM 1977 CFd BOT B 1 14.122 16.306 6.700 0.00 1.00 -ATOM 1978 CFe BOT B 1 12.894 18.433 0.000 0.00 1.00 -ATOM 1979 CFf BOT B 1 12.894 18.433 3.350 0.00 1.00 -ATOM 1980 CFg BOT B 1 12.894 18.433 6.700 0.00 1.00 -ATOM 1981 CFh BOT B 1 11.666 20.560 0.000 0.00 1.00 -ATOM 1982 CFi BOT B 1 11.666 20.560 3.350 0.00 1.00 -ATOM 1983 CFj BOT B 1 11.666 20.560 6.700 0.00 1.00 -ATOM 1984 CFk BOT B 1 10.438 22.687 0.000 0.00 1.00 -ATOM 1985 CFl BOT B 1 10.438 22.687 3.350 0.00 1.00 -ATOM 1986 CFm BOT B 1 10.438 22.687 6.700 0.00 1.00 -ATOM 1987 CFn BOT B 1 9.210 24.814 0.000 0.00 1.00 -ATOM 1988 CFo BOT B 1 9.210 24.814 3.350 0.00 1.00 -ATOM 1989 CFp BOT B 1 9.210 24.814 6.700 0.00 1.00 -ATOM 1990 CFq BOT B 1 7.982 26.941 0.000 0.00 1.00 -ATOM 1991 CFr BOT B 1 7.982 26.941 3.350 0.00 1.00 -ATOM 1992 CFs BOT B 1 7.982 26.941 6.700 0.00 1.00 -ATOM 1993 CFt BOT B 1 6.754 29.068 0.000 0.00 1.00 -ATOM 1994 CFu BOT B 1 6.754 29.068 3.350 0.00 1.00 -ATOM 1995 CFv BOT B 1 6.754 29.068 6.700 0.00 1.00 -ATOM 1996 CFw BOT B 1 5.526 1.418 0.000 0.00 1.00 -ATOM 1997 CFx BOT B 1 5.526 1.418 3.350 0.00 1.00 -ATOM 1998 CFy BOT B 1 5.526 1.418 6.700 0.00 1.00 -ATOM 1999 CFz BOT B 1 4.298 3.545 0.000 0.00 1.00 -ATOM 2000 CG0 BOT B 1 4.298 3.545 3.350 0.00 1.00 -ATOM 2001 CG1 BOT B 1 4.298 3.545 6.700 0.00 1.00 -ATOM 2002 CG2 BOT B 1 3.070 5.672 0.000 0.00 1.00 -ATOM 2003 CG3 BOT B 1 3.070 5.672 3.350 0.00 1.00 -ATOM 2004 CG4 BOT B 1 3.070 5.672 6.700 0.00 1.00 -ATOM 2005 CG5 BOT B 1 1.842 7.799 0.000 0.00 1.00 -ATOM 2006 CG6 BOT B 1 1.842 7.799 3.350 0.00 1.00 -ATOM 2007 CG7 BOT B 1 1.842 7.799 6.700 0.00 1.00 -ATOM 2008 CG8 BOT B 1 0.614 9.926 0.000 0.00 1.00 -ATOM 2009 CG9 BOT B 1 0.614 9.926 3.350 0.00 1.00 -ATOM 2010 CGA BOT B 1 0.614 9.926 6.700 0.00 1.00 -ATOM 2011 CGB BOT B 1 28.858 12.053 0.000 0.00 1.00 -ATOM 2012 CGC BOT B 1 28.858 12.053 3.350 0.00 1.00 -ATOM 2013 CGD BOT B 1 28.858 12.053 6.700 0.00 1.00 -ATOM 2014 CGE BOT B 1 27.630 14.180 0.000 0.00 1.00 -ATOM 2015 CGF BOT B 1 27.630 14.180 3.350 0.00 1.00 -ATOM 2016 CGG BOT B 1 27.630 14.180 6.700 0.00 1.00 -ATOM 2017 O1 H2O C 1 -0.110 19.001 27.982 0.00 0.00 -ATOM 2018 H1 H2O C 1 0.257 18.849 28.899 0.00 0.00 -ATOM 2019 H2 H2O C 1 0.561 19.500 27.432 0.00 0.00 -ATOM 2020 O1 H2O C 2 15.112 19.350 22.128 0.00 0.00 -ATOM 2021 H1 H2O C 2 14.720 20.264 22.239 0.00 0.00 -ATOM 2022 H2 H2O C 2 15.637 19.112 22.946 0.00 0.00 -ATOM 2023 O1 H2O C 3 9.626 20.037 26.036 0.00 0.00 -ATOM 2024 H1 H2O C 3 9.270 20.580 25.275 0.00 0.00 -ATOM 2025 H2 H2O C 3 9.085 19.201 26.131 0.00 0.00 -ATOM 2026 O1 H2O C 4 19.567 4.658 24.410 0.00 0.00 -ATOM 2027 H1 H2O C 4 19.747 3.675 24.433 0.00 0.00 -ATOM 2028 H2 H2O C 4 19.546 5.015 25.344 0.00 0.00 -ATOM 2029 O1 H2O C 5 0.772 3.237 26.892 0.00 0.00 -ATOM 2030 H1 H2O C 5 -0.100 2.764 27.020 0.00 0.00 -ATOM 2031 H2 H2O C 5 0.700 4.170 27.243 0.00 0.00 -ATOM 2032 O1 H2O C 6 19.381 12.722 26.461 0.00 0.00 -ATOM 2033 H1 H2O C 6 19.649 12.398 25.554 0.00 0.00 -ATOM 2034 H2 H2O C 6 18.383 12.724 26.533 0.00 0.00 -ATOM 2035 O1 H2O C 7 28.233 17.027 19.739 0.00 0.00 -ATOM 2036 H1 H2O C 7 27.850 16.136 19.980 0.00 0.00 -ATOM 2037 H2 H2O C 7 27.803 17.737 20.297 0.00 0.00 -ATOM 2038 O1 H2O C 8 2.775 2.063 20.477 0.00 0.00 -ATOM 2039 H1 H2O C 8 1.825 1.880 20.224 0.00 0.00 -ATOM 2040 H2 H2O C 8 3.128 2.817 19.923 0.00 0.00 -ATOM 2041 O1 H2O C 9 11.987 22.266 24.003 0.00 0.00 -ATOM 2042 H1 H2O C 9 12.112 22.406 24.985 0.00 0.00 -ATOM 2043 H2 H2O C 9 12.516 22.948 23.499 0.00 0.00 -ATOM 2044 O1 H2O C 10 14.934 6.744 28.126 0.00 0.00 -ATOM 2045 H1 H2O C 10 13.966 6.727 27.876 0.00 0.00 -ATOM 2046 H2 H2O C 10 15.494 6.721 27.298 0.00 0.00 -ATOM 2047 O1 H2O C 11 1.207 9.282 21.724 0.00 0.00 -ATOM 2048 H1 H2O C 11 2.115 9.189 22.132 0.00 0.00 -ATOM 2049 H2 H2O C 11 1.125 10.181 21.293 0.00 0.00 -ATOM 2050 O1 H2O C 12 20.472 22.309 32.476 0.00 0.00 -ATOM 2051 H1 H2O C 12 20.685 21.441 32.924 0.00 0.00 -ATOM 2052 H2 H2O C 12 21.303 22.687 32.067 0.00 0.00 -ATOM 2053 O1 H2O C 13 28.337 9.887 25.110 0.00 0.00 -ATOM 2054 H1 H2O C 13 29.102 10.509 25.277 0.00 0.00 -ATOM 2055 H2 H2O C 13 28.687 8.964 24.948 0.00 0.00 -ATOM 2056 O1 H2O C 14 20.154 19.998 23.628 0.00 0.00 -ATOM 2057 H1 H2O C 14 19.356 20.594 23.714 0.00 0.00 -ATOM 2058 H2 H2O C 14 19.900 19.064 23.880 0.00 0.00 -ATOM 2059 O1 H2O C 15 17.649 21.620 23.181 0.00 0.00 -ATOM 2060 H1 H2O C 15 17.444 20.662 23.381 0.00 0.00 -ATOM 2061 H2 H2O C 15 16.985 21.972 22.521 0.00 0.00 -ATOM 2062 O1 H2O C 16 1.942 21.365 33.907 0.00 0.00 -ATOM 2063 H1 H2O C 16 1.379 21.246 33.090 0.00 0.00 -ATOM 2064 H2 H2O C 16 2.449 20.522 34.088 0.00 0.00 -ATOM 2065 O1 H2O C 17 8.376 24.450 23.405 0.00 0.00 -ATOM 2066 H1 H2O C 17 9.217 24.883 23.081 0.00 0.00 -ATOM 2067 H2 H2O C 17 8.520 23.464 23.491 0.00 0.00 -ATOM 2068 O1 H2O C 18 15.485 25.516 28.631 0.00 0.00 -ATOM 2069 H1 H2O C 18 14.983 25.356 29.480 0.00 0.00 -ATOM 2070 H2 H2O C 18 16.299 24.935 28.610 0.00 0.00 -ATOM 2071 O1 H2O C 19 5.663 17.256 29.225 0.00 0.00 -ATOM 2072 H1 H2O C 19 5.479 17.683 28.340 0.00 0.00 -ATOM 2073 H2 H2O C 19 4.874 16.707 29.501 0.00 0.00 -ATOM 2074 O1 H2O C 20 26.761 7.712 33.517 0.00 0.00 -ATOM 2075 H1 H2O C 20 27.457 7.159 33.975 0.00 0.00 -ATOM 2076 H2 H2O C 20 26.801 7.550 32.531 0.00 0.00 -ATOM 2077 O1 H2O C 21 22.151 2.843 22.149 0.00 0.00 -ATOM 2078 H1 H2O C 21 21.159 2.906 22.257 0.00 0.00 -ATOM 2079 H2 H2O C 21 22.448 3.465 21.425 0.00 0.00 -ATOM 2080 O1 H2O C 22 23.683 1.464 23.916 0.00 0.00 -ATOM 2081 H1 H2O C 22 24.582 1.315 23.503 0.00 0.00 -ATOM 2082 H2 H2O C 22 23.046 1.790 23.219 0.00 0.00 -ATOM 2083 O1 H2O C 23 16.658 21.561 27.773 0.00 0.00 -ATOM 2084 H1 H2O C 23 17.468 21.115 28.153 0.00 0.00 -ATOM 2085 H2 H2O C 23 15.882 21.423 28.388 0.00 0.00 -ATOM 2086 O1 H2O C 24 21.604 6.093 23.045 0.00 0.00 -ATOM 2087 H1 H2O C 24 21.136 5.210 23.060 0.00 0.00 -ATOM 2088 H2 H2O C 24 20.929 6.829 23.086 0.00 0.00 -ATOM 2089 O1 H2O C 25 5.125 22.043 27.487 0.00 0.00 -ATOM 2090 H1 H2O C 25 5.587 21.281 27.941 0.00 0.00 -ATOM 2091 H2 H2O C 25 4.617 22.576 28.164 0.00 0.00 -ATOM 2092 O1 H2O C 26 14.432 11.383 25.466 0.00 0.00 -ATOM 2093 H1 H2O C 26 15.049 10.629 25.691 0.00 0.00 -ATOM 2094 H2 H2O C 26 14.513 11.601 24.494 0.00 0.00 -ATOM 2095 O1 H2O C 27 7.934 3.273 20.006 0.00 0.00 -ATOM 2096 H1 H2O C 27 7.732 2.354 20.344 0.00 0.00 -ATOM 2097 H2 H2O C 27 7.081 3.781 19.891 0.00 0.00 -ATOM 2098 O1 H2O C 28 16.398 15.260 20.549 0.00 0.00 -ATOM 2099 H1 H2O C 28 16.027 14.467 20.065 0.00 0.00 -ATOM 2100 H2 H2O C 28 15.743 16.015 20.503 0.00 0.00 -ATOM 2101 O1 H2O C 29 20.273 22.166 20.062 0.00 0.00 -ATOM 2102 H1 H2O C 29 19.868 21.291 19.797 0.00 0.00 -ATOM 2103 H2 H2O C 29 19.570 22.878 20.041 0.00 0.00 -ATOM 2104 O1 H2O C 30 16.866 9.507 29.245 0.00 0.00 -ATOM 2105 H1 H2O C 30 17.180 10.427 29.481 0.00 0.00 -ATOM 2106 H2 H2O C 30 17.649 8.886 29.215 0.00 0.00 -ATOM 2107 O1 H2O C 31 23.650 10.451 20.215 0.00 0.00 -ATOM 2108 H1 H2O C 31 23.511 11.421 20.016 0.00 0.00 -ATOM 2109 H2 H2O C 31 23.758 10.325 21.201 0.00 0.00 -ATOM 2110 O1 H2O C 32 19.093 14.071 22.594 0.00 0.00 -ATOM 2111 H1 H2O C 32 19.251 14.307 21.635 0.00 0.00 -ATOM 2112 H2 H2O C 32 18.236 14.485 22.902 0.00 0.00 -ATOM 2113 O1 H2O C 33 24.143 1.510 30.570 0.00 0.00 -ATOM 2114 H1 H2O C 33 23.722 1.296 31.452 0.00 0.00 -ATOM 2115 H2 H2O C 33 24.994 2.013 30.720 0.00 0.00 -ATOM 2116 O1 H2O C 34 28.458 20.227 23.991 0.00 0.00 -ATOM 2117 H1 H2O C 34 28.151 20.869 23.288 0.00 0.00 -ATOM 2118 H2 H2O C 34 29.146 19.614 23.604 0.00 0.00 -ATOM 2119 O1 H2O C 35 11.754 7.216 20.539 0.00 0.00 -ATOM 2120 H1 H2O C 35 11.567 8.033 21.084 0.00 0.00 -ATOM 2121 H2 H2O C 35 10.957 6.613 20.557 0.00 0.00 -ATOM 2122 O1 H2O C 36 14.931 0.509 29.809 0.00 0.00 -ATOM 2123 H1 H2O C 36 14.794 -0.330 29.282 0.00 0.00 -ATOM 2124 H2 H2O C 36 14.345 1.232 29.444 0.00 0.00 -ATOM 2125 O1 H2O C 37 10.982 13.095 33.345 0.00 0.00 -ATOM 2126 H1 H2O C 37 11.857 13.563 33.467 0.00 0.00 -ATOM 2127 H2 H2O C 37 11.069 12.413 32.619 0.00 0.00 -ATOM 2128 O1 H2O C 38 29.835 16.757 26.792 0.00 0.00 -ATOM 2129 H1 H2O C 38 29.381 17.549 27.201 0.00 0.00 -ATOM 2130 H2 H2O C 38 29.148 16.143 26.403 0.00 0.00 -ATOM 2131 O1 H2O C 39 18.825 4.759 30.507 0.00 0.00 -ATOM 2132 H1 H2O C 39 17.984 4.222 30.571 0.00 0.00 -ATOM 2133 H2 H2O C 39 19.566 4.177 30.172 0.00 0.00 -ATOM 2134 O1 H2O C 40 23.600 26.949 22.466 0.00 0.00 -ATOM 2135 H1 H2O C 40 24.257 27.351 23.103 0.00 0.00 -ATOM 2136 H2 H2O C 40 22.861 26.513 22.979 0.00 0.00 -ATOM 2137 O1 H2O C 41 18.533 9.586 25.158 0.00 0.00 -ATOM 2138 H1 H2O C 41 18.479 10.416 24.603 0.00 0.00 -ATOM 2139 H2 H2O C 41 17.659 9.437 25.621 0.00 0.00 -ATOM 2140 O1 H2O C 42 27.839 7.977 28.197 0.00 0.00 -ATOM 2141 H1 H2O C 42 27.038 7.984 27.598 0.00 0.00 -ATOM 2142 H2 H2O C 42 28.008 8.902 28.538 0.00 0.00 -ATOM 2143 O1 H2O C 43 5.792 10.110 25.287 0.00 0.00 -ATOM 2144 H1 H2O C 43 4.828 10.302 25.104 0.00 0.00 -ATOM 2145 H2 H2O C 43 5.864 9.359 25.943 0.00 0.00 -ATOM 2146 O1 H2O C 44 2.539 16.338 28.064 0.00 0.00 -ATOM 2147 H1 H2O C 44 3.312 16.338 27.430 0.00 0.00 -ATOM 2148 H2 H2O C 44 1.707 16.597 27.574 0.00 0.00 -ATOM 2149 O1 H2O C 45 6.509 18.508 21.752 0.00 0.00 -ATOM 2150 H1 H2O C 45 7.389 18.978 21.821 0.00 0.00 -ATOM 2151 H2 H2O C 45 5.869 18.899 22.413 0.00 0.00 -ATOM 2152 O1 H2O C 46 5.273 9.835 19.989 0.00 0.00 -ATOM 2153 H1 H2O C 46 6.266 9.922 19.905 0.00 0.00 -ATOM 2154 H2 H2O C 46 4.865 10.744 20.074 0.00 0.00 -ATOM 2155 O1 H2O C 47 14.745 27.960 22.804 0.00 0.00 -ATOM 2156 H1 H2O C 47 15.219 27.284 23.368 0.00 0.00 -ATOM 2157 H2 H2O C 47 14.932 27.779 21.838 0.00 0.00 -ATOM 2158 O1 H2O C 48 22.682 16.933 19.897 0.00 0.00 -ATOM 2159 H1 H2O C 48 23.320 16.652 19.180 0.00 0.00 -ATOM 2160 H2 H2O C 48 22.621 17.931 19.917 0.00 0.00 -ATOM 2161 O1 H2O C 49 9.463 1.228 27.016 0.00 0.00 -ATOM 2162 H1 H2O C 49 9.807 2.099 27.368 0.00 0.00 -ATOM 2163 H2 H2O C 49 8.504 1.118 27.277 0.00 0.00 -ATOM 2164 O1 H2O C 50 11.508 6.330 27.309 0.00 0.00 -ATOM 2165 H1 H2O C 50 10.807 6.015 26.669 0.00 0.00 -ATOM 2166 H2 H2O C 50 11.958 7.142 26.938 0.00 0.00 -ATOM 2167 O1 H2O C 51 14.628 5.640 23.257 0.00 0.00 -ATOM 2168 H1 H2O C 51 15.621 5.525 23.260 0.00 0.00 -ATOM 2169 H2 H2O C 51 14.310 5.771 22.318 0.00 0.00 -ATOM 2170 O1 H2O C 52 12.421 0.778 33.538 0.00 0.00 -ATOM 2171 H1 H2O C 52 11.842 -0.037 33.510 0.00 0.00 -ATOM 2172 H2 H2O C 52 11.869 1.585 33.329 0.00 0.00 -ATOM 2173 O1 H2O C 53 25.831 12.310 33.454 0.00 0.00 -ATOM 2174 H1 H2O C 53 25.663 12.016 34.395 0.00 0.00 -ATOM 2175 H2 H2O C 53 25.148 12.991 33.191 0.00 0.00 -ATOM 2176 O1 H2O C 54 2.298 14.030 19.865 0.00 0.00 -ATOM 2177 H1 H2O C 54 2.040 14.966 19.623 0.00 0.00 -ATOM 2178 H2 H2O C 54 1.513 13.561 20.269 0.00 0.00 -ATOM 2179 O1 H2O C 55 22.904 5.362 29.703 0.00 0.00 -ATOM 2180 H1 H2O C 55 23.625 4.988 29.119 0.00 0.00 -ATOM 2181 H2 H2O C 55 22.141 4.717 29.746 0.00 0.00 -ATOM 2182 O1 H2O C 56 9.255 26.278 33.657 0.00 0.00 -ATOM 2183 H1 H2O C 56 8.337 26.451 34.014 0.00 0.00 -ATOM 2184 H2 H2O C 56 9.275 25.385 33.208 0.00 0.00 -ATOM 2185 O1 H2O C 57 9.049 23.967 32.636 0.00 0.00 -ATOM 2186 H1 H2O C 57 8.236 24.006 32.054 0.00 0.00 -ATOM 2187 H2 H2O C 57 8.990 23.171 33.238 0.00 0.00 -ATOM 2188 O1 H2O C 58 5.122 21.352 32.258 0.00 0.00 -ATOM 2189 H1 H2O C 58 4.260 21.845 32.139 0.00 0.00 -ATOM 2190 H2 H2O C 58 5.096 20.503 31.730 0.00 0.00 -ATOM 2191 O1 H2O C 59 16.330 6.353 25.742 0.00 0.00 -ATOM 2192 H1 H2O C 59 17.146 6.301 26.318 0.00 0.00 -ATOM 2193 H2 H2O C 59 15.873 5.464 25.730 0.00 0.00 -ATOM 2194 O1 H2O C 60 13.117 25.682 26.914 0.00 0.00 -ATOM 2195 H1 H2O C 60 13.950 25.910 27.418 0.00 0.00 -ATOM 2196 H2 H2O C 60 12.994 26.329 26.162 0.00 0.00 -ATOM 2197 O1 H2O C 61 26.439 19.055 20.060 0.00 0.00 -ATOM 2198 H1 H2O C 61 26.275 18.369 19.351 0.00 0.00 -ATOM 2199 H2 H2O C 61 25.566 19.337 20.460 0.00 0.00 -ATOM 2200 O1 H2O C 62 2.134 4.907 33.406 0.00 0.00 -ATOM 2201 H1 H2O C 62 2.066 4.963 32.410 0.00 0.00 -ATOM 2202 H2 H2O C 62 1.436 5.491 33.821 0.00 0.00 -ATOM 2203 O1 H2O C 63 14.305 16.520 23.350 0.00 0.00 -ATOM 2204 H1 H2O C 63 14.300 16.862 22.410 0.00 0.00 -ATOM 2205 H2 H2O C 63 13.651 17.040 23.898 0.00 0.00 -ATOM 2206 O1 H2O C 64 3.999 14.106 33.470 0.00 0.00 -ATOM 2207 H1 H2O C 64 4.914 13.714 33.573 0.00 0.00 -ATOM 2208 H2 H2O C 64 4.076 15.070 33.216 0.00 0.00 -ATOM 2209 O1 H2O C 65 7.288 0.485 19.918 0.00 0.00 -ATOM 2210 H1 H2O C 65 7.675 0.820 19.060 0.00 0.00 -ATOM 2211 H2 H2O C 65 7.988 -0.016 20.427 0.00 0.00 -ATOM 2212 O1 H2O C 66 15.873 22.539 25.330 0.00 0.00 -ATOM 2213 H1 H2O C 66 16.180 21.953 24.580 0.00 0.00 -ATOM 2214 H2 H2O C 66 16.229 22.185 26.195 0.00 0.00 -ATOM 2215 O1 H2O C 67 8.073 12.430 28.946 0.00 0.00 -ATOM 2216 H1 H2O C 67 7.653 13.139 29.514 0.00 0.00 -ATOM 2217 H2 H2O C 67 7.699 12.480 28.020 0.00 0.00 -ATOM 2218 O1 H2O C 68 5.534 28.239 23.030 0.00 0.00 -ATOM 2219 H1 H2O C 68 4.942 27.956 23.784 0.00 0.00 -ATOM 2220 H2 H2O C 68 5.317 29.180 22.771 0.00 0.00 -ATOM 2221 O1 H2O C 69 11.780 7.980 29.315 0.00 0.00 -ATOM 2222 H1 H2O C 69 11.482 7.550 28.463 0.00 0.00 -ATOM 2223 H2 H2O C 69 11.009 8.033 29.950 0.00 0.00 -ATOM 2224 O1 H2O C 70 23.294 1.051 28.014 0.00 0.00 -ATOM 2225 H1 H2O C 70 23.969 1.280 28.715 0.00 0.00 -ATOM 2226 H2 H2O C 70 22.813 1.880 27.730 0.00 0.00 -ATOM 2227 O1 H2O C 71 17.624 1.903 33.763 0.00 0.00 -ATOM 2228 H1 H2O C 71 18.297 1.362 34.267 0.00 0.00 -ATOM 2229 H2 H2O C 71 16.755 1.408 33.731 0.00 0.00 -ATOM 2230 O1 H2O C 72 14.620 20.731 29.298 0.00 0.00 -ATOM 2231 H1 H2O C 72 13.996 20.016 28.982 0.00 0.00 -ATOM 2232 H2 H2O C 72 14.148 21.319 29.956 0.00 0.00 -ATOM 2233 O1 H2O C 73 10.188 28.632 25.647 0.00 0.00 -ATOM 2234 H1 H2O C 73 10.003 29.570 25.941 0.00 0.00 -ATOM 2235 H2 H2O C 73 9.474 28.026 25.998 0.00 0.00 -ATOM 2236 O1 H2O C 74 0.201 4.833 30.410 0.00 0.00 -ATOM 2237 H1 H2O C 74 0.770 4.014 30.483 0.00 0.00 -ATOM 2238 H2 H2O C 74 -0.530 4.793 31.091 0.00 0.00 -ATOM 2239 O1 H2O C 75 9.546 5.632 20.623 0.00 0.00 -ATOM 2240 H1 H2O C 75 8.822 6.282 20.853 0.00 0.00 -ATOM 2241 H2 H2O C 75 9.138 4.796 20.257 0.00 0.00 -ATOM 2242 O1 H2O C 76 20.494 14.552 30.602 0.00 0.00 -ATOM 2243 H1 H2O C 76 20.211 15.246 31.263 0.00 0.00 -ATOM 2244 H2 H2O C 76 21.171 13.947 31.022 0.00 0.00 -ATOM 2245 O1 H2O C 77 10.407 1.686 20.185 0.00 0.00 -ATOM 2246 H1 H2O C 77 11.373 1.809 19.957 0.00 0.00 -ATOM 2247 H2 H2O C 77 9.922 2.552 20.060 0.00 0.00 -ATOM 2248 O1 H2O C 78 10.326 4.960 33.815 0.00 0.00 -ATOM 2249 H1 H2O C 78 10.116 4.022 33.539 0.00 0.00 -ATOM 2250 H2 H2O C 78 11.311 5.118 33.738 0.00 0.00 -ATOM 2251 O1 H2O C 79 15.219 12.630 20.278 0.00 0.00 -ATOM 2252 H1 H2O C 79 14.400 13.195 20.378 0.00 0.00 -ATOM 2253 H2 H2O C 79 14.950 11.675 20.151 0.00 0.00 -ATOM 2254 O1 H2O C 80 20.165 26.003 19.886 0.00 0.00 -ATOM 2255 H1 H2O C 80 20.339 25.502 20.734 0.00 0.00 -ATOM 2256 H2 H2O C 80 21.016 26.085 19.367 0.00 0.00 -ATOM 2257 O1 H2O C 81 8.239 9.029 31.032 0.00 0.00 -ATOM 2258 H1 H2O C 81 7.745 8.457 31.687 0.00 0.00 -ATOM 2259 H2 H2O C 81 8.439 8.496 30.209 0.00 0.00 -ATOM 2260 O1 H2O C 82 25.884 29.448 33.300 0.00 0.00 -ATOM 2261 H1 H2O C 82 25.842 28.589 33.809 0.00 0.00 -ATOM 2262 H2 H2O C 82 25.055 29.979 33.472 0.00 0.00 -ATOM 2263 O1 H2O C 83 20.831 3.095 30.147 0.00 0.00 -ATOM 2264 H1 H2O C 83 20.500 2.413 30.799 0.00 0.00 -ATOM 2265 H2 H2O C 83 20.852 2.696 29.230 0.00 0.00 -ATOM 2266 O1 H2O C 84 10.314 24.532 25.773 0.00 0.00 -ATOM 2267 H1 H2O C 84 10.867 23.795 26.161 0.00 0.00 -ATOM 2268 H2 H2O C 84 10.710 24.823 24.902 0.00 0.00 -ATOM 2269 O1 H2O C 85 23.905 19.424 33.737 0.00 0.00 -ATOM 2270 H1 H2O C 85 24.283 18.655 34.252 0.00 0.00 -ATOM 2271 H2 H2O C 85 24.419 19.541 32.888 0.00 0.00 -ATOM 2272 O1 H2O C 86 21.608 10.316 33.817 0.00 0.00 -ATOM 2273 H1 H2O C 86 20.988 9.531 33.829 0.00 0.00 -ATOM 2274 H2 H2O C 86 22.542 9.999 33.654 0.00 0.00 -ATOM 2275 O1 H2O C 87 3.205 10.936 24.277 0.00 0.00 -ATOM 2276 H1 H2O C 87 3.658 10.224 23.741 0.00 0.00 -ATOM 2277 H2 H2O C 87 3.088 11.754 23.713 0.00 0.00 -ATOM 2278 O1 H2O C 88 28.758 3.245 22.787 0.00 0.00 -ATOM 2279 H1 H2O C 88 28.978 3.521 21.852 0.00 0.00 -ATOM 2280 H2 H2O C 88 28.657 2.251 22.826 0.00 0.00 -ATOM 2281 O1 H2O C 89 0.490 6.092 23.434 0.00 0.00 -ATOM 2282 H1 H2O C 89 0.679 6.536 22.558 0.00 0.00 -ATOM 2283 H2 H2O C 89 1.066 5.280 23.528 0.00 0.00 -ATOM 2284 O1 H2O C 90 5.035 9.590 30.197 0.00 0.00 -ATOM 2285 H1 H2O C 90 4.587 10.080 29.449 0.00 0.00 -ATOM 2286 H2 H2O C 90 6.024 9.589 30.049 0.00 0.00 -ATOM 2287 O1 H2O C 91 22.336 17.841 23.522 0.00 0.00 -ATOM 2288 H1 H2O C 91 23.076 17.786 22.852 0.00 0.00 -ATOM 2289 H2 H2O C 91 21.476 17.563 23.094 0.00 0.00 -ATOM 2290 O1 H2O C 92 10.396 2.436 32.744 0.00 0.00 -ATOM 2291 H1 H2O C 92 9.406 2.382 32.873 0.00 0.00 -ATOM 2292 H2 H2O C 92 10.618 2.254 31.787 0.00 0.00 -ATOM 2293 O1 H2O C 93 28.091 8.522 21.867 0.00 0.00 -ATOM 2294 H1 H2O C 93 27.527 8.984 21.183 0.00 0.00 -ATOM 2295 H2 H2O C 93 28.997 8.945 21.892 0.00 0.00 -ATOM 2296 O1 H2O C 94 28.469 27.819 22.525 0.00 0.00 -ATOM 2297 H1 H2O C 94 27.549 27.731 22.904 0.00 0.00 -ATOM 2298 H2 H2O C 94 28.931 26.933 22.558 0.00 0.00 -ATOM 2299 O1 H2O C 95 28.470 6.976 19.623 0.00 0.00 -ATOM 2300 H1 H2O C 95 28.362 7.533 20.446 0.00 0.00 -ATOM 2301 H2 H2O C 95 28.610 6.020 19.882 0.00 0.00 -ATOM 2302 O1 H2O C 96 20.200 8.178 33.513 0.00 0.00 -ATOM 2303 H1 H2O C 96 20.698 7.457 33.031 0.00 0.00 -ATOM 2304 H2 H2O C 96 19.228 7.946 33.547 0.00 0.00 -ATOM 2305 O1 H2O C 97 28.104 1.604 27.360 0.00 0.00 -ATOM 2306 H1 H2O C 97 27.498 2.176 26.806 0.00 0.00 -ATOM 2307 H2 H2O C 97 28.618 0.988 26.764 0.00 0.00 -ATOM 2308 O1 H2O C 98 12.167 12.119 30.154 0.00 0.00 -ATOM 2309 H1 H2O C 98 12.119 11.928 29.174 0.00 0.00 -ATOM 2310 H2 H2O C 98 11.725 11.377 30.659 0.00 0.00 -ATOM 2311 O1 H2O C 99 16.080 0.737 19.964 0.00 0.00 -ATOM 2312 H1 H2O C 99 17.054 0.781 19.740 0.00 0.00 -ATOM 2313 H2 H2O C 99 15.776 -0.215 19.943 0.00 0.00 -ATOM 2314 O1 H2O C 100 14.766 21.902 22.413 0.00 0.00 -ATOM 2315 H1 H2O C 100 14.240 22.547 22.968 0.00 0.00 -ATOM 2316 H2 H2O C 100 15.136 22.375 21.613 0.00 0.00 -ATOM 2317 O1 H2O C 101 21.591 6.137 32.130 0.00 0.00 -ATOM 2318 H1 H2O C 101 21.801 6.033 31.158 0.00 0.00 -ATOM 2319 H2 H2O C 101 22.434 6.323 32.635 0.00 0.00 -ATOM 2320 O1 H2O C 102 19.820 20.301 26.900 0.00 0.00 -ATOM 2321 H1 H2O C 102 20.426 20.784 27.532 0.00 0.00 -ATOM 2322 H2 H2O C 102 19.820 20.769 26.016 0.00 0.00 -ATOM 2323 O1 H2O C 103 24.937 13.447 28.415 0.00 0.00 -ATOM 2324 H1 H2O C 103 24.167 12.829 28.256 0.00 0.00 -ATOM 2325 H2 H2O C 103 25.736 13.120 27.909 0.00 0.00 -ATOM 2326 O1 H2O C 104 2.780 18.218 25.246 0.00 0.00 -ATOM 2327 H1 H2O C 104 3.669 18.397 25.667 0.00 0.00 -ATOM 2328 H2 H2O C 104 2.271 17.564 25.805 0.00 0.00 -ATOM 2329 O1 H2O C 105 27.577 16.065 23.068 0.00 0.00 -ATOM 2330 H1 H2O C 105 27.604 16.354 24.025 0.00 0.00 -ATOM 2331 H2 H2O C 105 28.384 15.510 22.866 0.00 0.00 -ATOM 2332 O1 H2O C 106 28.004 26.881 25.726 0.00 0.00 -ATOM 2333 H1 H2O C 106 28.218 26.459 26.607 0.00 0.00 -ATOM 2334 H2 H2O C 106 27.012 26.918 25.605 0.00 0.00 -ATOM 2335 O1 H2O C 107 15.902 22.635 19.919 0.00 0.00 -ATOM 2336 H1 H2O C 107 15.961 21.905 19.238 0.00 0.00 -ATOM 2337 H2 H2O C 107 16.755 23.158 19.921 0.00 0.00 -ATOM 2338 O1 H2O C 108 11.439 8.663 22.771 0.00 0.00 -ATOM 2339 H1 H2O C 108 10.820 8.873 23.528 0.00 0.00 -ATOM 2340 H2 H2O C 108 12.248 8.193 23.123 0.00 0.00 -ATOM 2341 O1 H2O C 109 6.558 4.721 23.049 0.00 0.00 -ATOM 2342 H1 H2O C 109 6.868 3.772 23.095 0.00 0.00 -ATOM 2343 H2 H2O C 109 6.802 5.194 23.896 0.00 0.00 -ATOM 2344 O1 H2O C 110 7.662 21.547 33.130 0.00 0.00 -ATOM 2345 H1 H2O C 110 7.569 20.586 33.389 0.00 0.00 -ATOM 2346 H2 H2O C 110 6.758 21.973 33.100 0.00 0.00 -ATOM 2347 O1 H2O C 111 26.280 7.905 30.792 0.00 0.00 -ATOM 2348 H1 H2O C 111 25.650 8.658 30.979 0.00 0.00 -ATOM 2349 H2 H2O C 111 25.856 7.268 30.148 0.00 0.00 -ATOM 2350 O1 H2O C 112 5.184 2.075 24.259 0.00 0.00 -ATOM 2351 H1 H2O C 112 5.139 1.920 23.272 0.00 0.00 -ATOM 2352 H2 H2O C 112 4.417 1.614 24.705 0.00 0.00 -ATOM 2353 O1 H2O C 113 11.685 12.671 23.530 0.00 0.00 -ATOM 2354 H1 H2O C 113 12.567 13.103 23.723 0.00 0.00 -ATOM 2355 H2 H2O C 113 11.697 12.289 22.606 0.00 0.00 -ATOM 2356 O1 H2O C 114 16.508 19.260 33.712 0.00 0.00 -ATOM 2357 H1 H2O C 114 17.182 19.715 34.293 0.00 0.00 -ATOM 2358 H2 H2O C 114 16.510 19.684 32.806 0.00 0.00 -ATOM 2359 O1 H2O C 115 7.212 6.966 21.224 0.00 0.00 -ATOM 2360 H1 H2O C 115 7.012 6.380 22.009 0.00 0.00 -ATOM 2361 H2 H2O C 115 6.367 7.148 20.720 0.00 0.00 -ATOM 2362 O1 H2O C 116 27.487 21.476 33.903 0.00 0.00 -ATOM 2363 H1 H2O C 116 28.173 22.173 33.694 0.00 0.00 -ATOM 2364 H2 H2O C 116 26.751 21.884 34.443 0.00 0.00 -ATOM 2365 O1 H2O C 117 1.790 22.761 24.687 0.00 0.00 -ATOM 2366 H1 H2O C 117 1.702 21.986 25.313 0.00 0.00 -ATOM 2367 H2 H2O C 117 0.908 23.224 24.604 0.00 0.00 -ATOM 2368 O1 H2O C 118 4.845 10.275 33.618 0.00 0.00 -ATOM 2369 H1 H2O C 118 5.594 10.168 32.965 0.00 0.00 -ATOM 2370 H2 H2O C 118 4.983 11.111 34.149 0.00 0.00 -ATOM 2371 O1 H2O C 119 11.497 26.976 19.550 0.00 0.00 -ATOM 2372 H1 H2O C 119 11.504 27.071 18.554 0.00 0.00 -ATOM 2373 H2 H2O C 119 11.949 27.767 19.963 0.00 0.00 -ATOM 2374 O1 H2O C 120 28.880 23.693 23.744 0.00 0.00 -ATOM 2375 H1 H2O C 120 28.315 22.999 23.298 0.00 0.00 -ATOM 2376 H2 H2O C 120 28.591 23.796 24.696 0.00 0.00 -ATOM 2377 O1 H2O C 121 26.567 18.948 27.561 0.00 0.00 -ATOM 2378 H1 H2O C 121 26.044 18.343 28.161 0.00 0.00 -ATOM 2379 H2 H2O C 121 27.509 19.013 27.891 0.00 0.00 -ATOM 2380 O1 H2O C 122 23.267 22.223 33.140 0.00 0.00 -ATOM 2381 H1 H2O C 122 23.392 21.275 33.433 0.00 0.00 -ATOM 2382 H2 H2O C 122 24.092 22.748 33.350 0.00 0.00 -ATOM 2383 O1 H2O C 123 9.294 11.422 26.239 0.00 0.00 -ATOM 2384 H1 H2O C 123 9.798 11.911 26.950 0.00 0.00 -ATOM 2385 H2 H2O C 123 8.480 11.945 25.987 0.00 0.00 -ATOM 2386 O1 H2O C 124 12.646 27.594 25.243 0.00 0.00 -ATOM 2387 H1 H2O C 124 13.129 28.209 24.619 0.00 0.00 -ATOM 2388 H2 H2O C 124 11.767 27.998 25.496 0.00 0.00 -ATOM 2389 O1 H2O C 125 19.697 25.471 26.249 0.00 0.00 -ATOM 2390 H1 H2O C 125 19.937 25.465 25.278 0.00 0.00 -ATOM 2391 H2 H2O C 125 20.457 25.850 26.777 0.00 0.00 -ATOM 2392 O1 H2O C 126 4.477 4.239 27.406 0.00 0.00 -ATOM 2393 H1 H2O C 126 3.914 4.182 28.230 0.00 0.00 -ATOM 2394 H2 H2O C 126 4.956 3.372 27.269 0.00 0.00 -ATOM 2395 O1 H2O C 127 10.683 14.463 29.798 0.00 0.00 -ATOM 2396 H1 H2O C 127 11.131 13.578 29.921 0.00 0.00 -ATOM 2397 H2 H2O C 127 9.691 14.335 29.779 0.00 0.00 -ATOM 2398 O1 H2O C 128 18.827 0.643 19.755 0.00 0.00 -ATOM 2399 H1 H2O C 128 18.569 1.206 20.541 0.00 0.00 -ATOM 2400 H2 H2O C 128 19.538 1.111 19.231 0.00 0.00 -ATOM 2401 O1 H2O C 129 15.363 2.150 22.111 0.00 0.00 -ATOM 2402 H1 H2O C 129 15.145 3.067 21.776 0.00 0.00 -ATOM 2403 H2 H2O C 129 15.744 1.604 21.365 0.00 0.00 -ATOM 2404 O1 H2O C 130 21.274 2.109 19.568 0.00 0.00 -ATOM 2405 H1 H2O C 130 21.622 1.209 19.831 0.00 0.00 -ATOM 2406 H2 H2O C 130 22.038 2.748 19.475 0.00 0.00 -ATOM 2407 O1 H2O C 131 14.031 25.507 31.181 0.00 0.00 -ATOM 2408 H1 H2O C 131 13.096 25.798 31.384 0.00 0.00 -ATOM 2409 H2 H2O C 131 14.588 25.572 32.010 0.00 0.00 -ATOM 2410 O1 H2O C 132 19.287 14.178 33.549 0.00 0.00 -ATOM 2411 H1 H2O C 132 18.448 14.686 33.354 0.00 0.00 -ATOM 2412 H2 H2O C 132 20.063 14.809 33.565 0.00 0.00 -ATOM 2413 O1 H2O C 133 3.296 3.959 29.751 0.00 0.00 -ATOM 2414 H1 H2O C 133 4.051 3.597 30.297 0.00 0.00 -ATOM 2415 H2 H2O C 133 2.462 3.445 29.954 0.00 0.00 -ATOM 2416 O1 H2O C 134 21.933 22.258 24.924 0.00 0.00 -ATOM 2417 H1 H2O C 134 20.974 22.172 25.193 0.00 0.00 -ATOM 2418 H2 H2O C 134 22.380 21.366 24.996 0.00 0.00 -ATOM 2419 O1 H2O C 135 20.788 16.543 26.014 0.00 0.00 -ATOM 2420 H1 H2O C 135 21.436 15.792 26.143 0.00 0.00 -ATOM 2421 H2 H2O C 135 21.269 17.416 26.099 0.00 0.00 -ATOM 2422 O1 H2O C 136 7.634 8.245 24.132 0.00 0.00 -ATOM 2423 H1 H2O C 136 6.890 8.737 24.585 0.00 0.00 -ATOM 2424 H2 H2O C 136 8.126 8.870 23.526 0.00 0.00 -ATOM 2425 O1 H2O C 137 -0.088 29.351 25.765 0.00 0.00 -ATOM 2426 H1 H2O C 137 -0.610 28.516 25.593 0.00 0.00 -ATOM 2427 H2 H2O C 137 0.744 29.344 25.210 0.00 0.00 -ATOM 2428 O1 H2O C 138 21.984 21.352 21.916 0.00 0.00 -ATOM 2429 H1 H2O C 138 21.434 20.981 22.664 0.00 0.00 -ATOM 2430 H2 H2O C 138 21.383 21.767 21.233 0.00 0.00 -ATOM 2431 O1 H2O C 139 3.713 15.651 30.404 0.00 0.00 -ATOM 2432 H1 H2O C 139 2.991 15.489 31.077 0.00 0.00 -ATOM 2433 H2 H2O C 139 3.302 15.786 29.502 0.00 0.00 -ATOM 2434 O1 H2O C 140 27.196 2.251 33.653 0.00 0.00 -ATOM 2435 H1 H2O C 140 26.809 1.343 33.818 0.00 0.00 -ATOM 2436 H2 H2O C 140 27.090 2.487 32.687 0.00 0.00 -ATOM 2437 O1 H2O C 141 27.179 18.508 30.969 0.00 0.00 -ATOM 2438 H1 H2O C 141 28.010 18.210 31.438 0.00 0.00 -ATOM 2439 H2 H2O C 141 26.674 17.709 30.644 0.00 0.00 -ATOM 2440 O1 H2O C 142 6.229 6.318 29.354 0.00 0.00 -ATOM 2441 H1 H2O C 142 7.198 6.469 29.552 0.00 0.00 -ATOM 2442 H2 H2O C 142 6.022 5.343 29.432 0.00 0.00 -ATOM 2443 O1 H2O C 143 17.409 8.541 32.975 0.00 0.00 -ATOM 2444 H1 H2O C 143 17.776 9.471 32.940 0.00 0.00 -ATOM 2445 H2 H2O C 143 17.723 8.028 32.176 0.00 0.00 -ATOM 2446 O1 H2O C 144 17.698 11.931 20.577 0.00 0.00 -ATOM 2447 H1 H2O C 144 17.677 11.004 20.203 0.00 0.00 -ATOM 2448 H2 H2O C 144 16.801 12.357 20.464 0.00 0.00 -ATOM 2449 O1 H2O C 145 7.148 16.290 19.726 0.00 0.00 -ATOM 2450 H1 H2O C 145 6.650 16.906 20.335 0.00 0.00 -ATOM 2451 H2 H2O C 145 6.690 16.256 18.838 0.00 0.00 -ATOM 2452 O1 H2O C 146 10.367 22.447 19.675 0.00 0.00 -ATOM 2453 H1 H2O C 146 9.382 22.404 19.845 0.00 0.00 -ATOM 2454 H2 H2O C 146 10.572 22.018 18.795 0.00 0.00 -ATOM 2455 O1 H2O C 147 6.279 8.176 27.412 0.00 0.00 -ATOM 2456 H1 H2O C 147 7.011 8.799 27.687 0.00 0.00 -ATOM 2457 H2 H2O C 147 6.207 7.432 28.076 0.00 0.00 -ATOM 2458 O1 H2O C 148 26.804 12.218 26.888 0.00 0.00 -ATOM 2459 H1 H2O C 148 27.460 12.697 26.305 0.00 0.00 -ATOM 2460 H2 H2O C 148 26.464 11.408 26.412 0.00 0.00 -ATOM 2461 O1 H2O C 149 5.423 4.382 20.128 0.00 0.00 -ATOM 2462 H1 H2O C 149 4.569 4.091 20.560 0.00 0.00 -ATOM 2463 H2 H2O C 149 5.525 5.372 20.225 0.00 0.00 -ATOM 2464 O1 H2O C 150 18.633 27.761 23.951 0.00 0.00 -ATOM 2465 H1 H2O C 150 19.568 27.702 24.300 0.00 0.00 -ATOM 2466 H2 H2O C 150 18.005 27.344 24.607 0.00 0.00 -ATOM 2467 O1 H2O C 151 28.570 1.464 29.978 0.00 0.00 -ATOM 2468 H1 H2O C 151 29.382 1.997 30.215 0.00 0.00 -ATOM 2469 H2 H2O C 151 28.332 1.626 29.020 0.00 0.00 -ATOM 2470 O1 H2O C 152 19.339 19.586 20.141 0.00 0.00 -ATOM 2471 H1 H2O C 152 18.347 19.644 20.030 0.00 0.00 -ATOM 2472 H2 H2O C 152 19.564 18.807 20.726 0.00 0.00 -ATOM 2473 O1 H2O C 153 23.817 23.635 26.676 0.00 0.00 -ATOM 2474 H1 H2O C 153 23.760 24.606 26.443 0.00 0.00 -ATOM 2475 H2 H2O C 153 23.041 23.150 26.272 0.00 0.00 -ATOM 2476 O1 H2O C 154 10.612 5.274 30.990 0.00 0.00 -ATOM 2477 H1 H2O C 154 9.737 4.812 30.850 0.00 0.00 -ATOM 2478 H2 H2O C 154 10.813 5.319 31.969 0.00 0.00 -ATOM 2479 O1 H2O C 155 21.305 26.609 28.250 0.00 0.00 -ATOM 2480 H1 H2O C 155 21.130 27.558 28.512 0.00 0.00 -ATOM 2481 H2 H2O C 155 21.416 26.051 29.072 0.00 0.00 -ATOM 2482 O1 H2O C 156 1.221 11.358 20.161 0.00 0.00 -ATOM 2483 H1 H2O C 156 1.883 11.110 19.454 0.00 0.00 -ATOM 2484 H2 H2O C 156 0.294 11.234 19.807 0.00 0.00 -ATOM 2485 O1 H2O C 157 16.450 27.327 25.720 0.00 0.00 -ATOM 2486 H1 H2O C 157 16.001 28.085 25.247 0.00 0.00 -ATOM 2487 H2 H2O C 157 17.202 27.679 26.276 0.00 0.00 -ATOM 2488 O1 H2O C 158 25.604 16.908 29.267 0.00 0.00 -ATOM 2489 H1 H2O C 158 26.293 16.313 28.853 0.00 0.00 -ATOM 2490 H2 H2O C 158 24.699 16.498 29.154 0.00 0.00 -ATOM 2491 O1 H2O C 159 0.731 25.707 22.512 0.00 0.00 -ATOM 2492 H1 H2O C 159 1.693 25.658 22.781 0.00 0.00 -ATOM 2493 H2 H2O C 159 0.229 24.948 22.927 0.00 0.00 -ATOM 2494 O1 H2O C 160 4.760 7.051 19.963 0.00 0.00 -ATOM 2495 H1 H2O C 160 3.897 6.631 19.683 0.00 0.00 -ATOM 2496 H2 H2O C 160 4.836 7.961 19.556 0.00 0.00 -ATOM 2497 O1 H2O C 161 14.982 12.024 33.369 0.00 0.00 -ATOM 2498 H1 H2O C 161 14.987 11.049 33.147 0.00 0.00 -ATOM 2499 H2 H2O C 161 14.123 12.258 33.823 0.00 0.00 -ATOM 2500 O1 H2O C 162 16.718 12.861 25.919 0.00 0.00 -ATOM 2501 H1 H2O C 162 15.913 12.276 25.822 0.00 0.00 -ATOM 2502 H2 H2O C 162 16.470 13.691 26.419 0.00 0.00 -ATOM 2503 O1 H2O C 163 24.805 4.836 27.610 0.00 0.00 -ATOM 2504 H1 H2O C 163 24.381 4.296 26.883 0.00 0.00 -ATOM 2505 H2 H2O C 163 24.928 5.778 27.298 0.00 0.00 -ATOM 2506 O1 H2O C 164 18.781 17.291 24.206 0.00 0.00 -ATOM 2507 H1 H2O C 164 18.134 16.585 23.915 0.00 0.00 -ATOM 2508 H2 H2O C 164 19.522 16.869 24.727 0.00 0.00 -ATOM 2509 O1 H2O C 165 16.735 19.082 24.162 0.00 0.00 -ATOM 2510 H1 H2O C 165 16.691 19.198 25.154 0.00 0.00 -ATOM 2511 H2 H2O C 165 17.251 18.253 23.946 0.00 0.00 -ATOM 2512 O1 H2O C 166 1.923 25.434 32.973 0.00 0.00 -ATOM 2513 H1 H2O C 166 1.205 25.601 33.649 0.00 0.00 -ATOM 2514 H2 H2O C 166 2.663 26.095 33.102 0.00 0.00 -ATOM 2515 O1 H2O C 167 17.254 25.222 22.412 0.00 0.00 -ATOM 2516 H1 H2O C 167 17.718 26.105 22.330 0.00 0.00 -ATOM 2517 H2 H2O C 167 16.797 25.166 23.299 0.00 0.00 -ATOM 2518 O1 H2O C 168 2.712 9.150 32.583 0.00 0.00 -ATOM 2519 H1 H2O C 168 2.622 9.191 31.588 0.00 0.00 -ATOM 2520 H2 H2O C 168 3.503 9.691 32.869 0.00 0.00 -ATOM 2521 O1 H2O C 169 7.646 23.754 26.595 0.00 0.00 -ATOM 2522 H1 H2O C 169 6.920 23.183 26.210 0.00 0.00 -ATOM 2523 H2 H2O C 169 8.409 23.802 25.951 0.00 0.00 -ATOM 2524 O1 H2O C 170 23.226 7.762 19.752 0.00 0.00 -ATOM 2525 H1 H2O C 170 23.448 8.736 19.728 0.00 0.00 -ATOM 2526 H2 H2O C 170 24.069 7.230 19.840 0.00 0.00 -ATOM 2527 O1 H2O C 171 0.487 9.601 27.783 0.00 0.00 -ATOM 2528 H1 H2O C 171 -0.242 10.121 28.228 0.00 0.00 -ATOM 2529 H2 H2O C 171 0.234 9.420 26.832 0.00 0.00 -ATOM 2530 O1 H2O C 172 19.231 1.412 31.620 0.00 0.00 -ATOM 2531 H1 H2O C 172 19.838 0.649 31.844 0.00 0.00 -ATOM 2532 H2 H2O C 172 18.803 1.753 32.457 0.00 0.00 -ATOM 2533 O1 H2O C 173 19.383 22.701 25.001 0.00 0.00 -ATOM 2534 H1 H2O C 173 19.153 23.493 25.566 0.00 0.00 -ATOM 2535 H2 H2O C 173 18.712 22.610 24.265 0.00 0.00 -ATOM 2536 O1 H2O C 174 1.652 28.626 20.309 0.00 0.00 -ATOM 2537 H1 H2O C 174 2.185 28.025 19.713 0.00 0.00 -ATOM 2538 H2 H2O C 174 2.259 29.300 20.730 0.00 0.00 -ATOM 2539 O1 H2O C 175 7.182 3.151 26.305 0.00 0.00 -ATOM 2540 H1 H2O C 175 6.720 2.693 25.545 0.00 0.00 -ATOM 2541 H2 H2O C 175 7.022 4.136 26.247 0.00 0.00 -ATOM 2542 O1 H2O C 176 0.170 22.989 19.689 0.00 0.00 -ATOM 2543 H1 H2O C 176 -0.064 22.026 19.823 0.00 0.00 -ATOM 2544 H2 H2O C 176 1.164 23.085 19.636 0.00 0.00 -ATOM 2545 O1 H2O C 177 18.773 16.521 31.209 0.00 0.00 -ATOM 2546 H1 H2O C 177 18.417 15.669 31.594 0.00 0.00 -ATOM 2547 H2 H2O C 177 18.099 16.909 30.580 0.00 0.00 -ATOM 2548 O1 H2O C 178 21.974 25.184 23.861 0.00 0.00 -ATOM 2549 H1 H2O C 178 21.302 24.933 23.164 0.00 0.00 -ATOM 2550 H2 H2O C 178 22.315 24.358 24.309 0.00 0.00 -ATOM 2551 O1 H2O C 179 9.776 17.516 32.668 0.00 0.00 -ATOM 2552 H1 H2O C 179 10.219 18.238 33.199 0.00 0.00 -ATOM 2553 H2 H2O C 179 9.051 17.913 32.106 0.00 0.00 -ATOM 2554 O1 H2O C 180 5.406 26.717 30.857 0.00 0.00 -ATOM 2555 H1 H2O C 180 4.529 26.810 31.329 0.00 0.00 -ATOM 2556 H2 H2O C 180 5.499 27.448 30.181 0.00 0.00 -ATOM 2557 O1 H2O C 181 7.718 10.751 33.204 0.00 0.00 -ATOM 2558 H1 H2O C 181 7.730 10.400 32.268 0.00 0.00 -ATOM 2559 H2 H2O C 181 8.641 10.709 33.587 0.00 0.00 -ATOM 2560 O1 H2O C 182 22.004 19.587 20.015 0.00 0.00 -ATOM 2561 H1 H2O C 182 21.080 19.404 19.679 0.00 0.00 -ATOM 2562 H2 H2O C 182 21.956 20.189 20.812 0.00 0.00 -ATOM 2563 O1 H2O C 183 14.033 9.541 28.354 0.00 0.00 -ATOM 2564 H1 H2O C 183 13.383 9.084 28.960 0.00 0.00 -ATOM 2565 H2 H2O C 183 14.918 9.621 28.812 0.00 0.00 -ATOM 2566 O1 H2O C 184 11.736 8.741 33.250 0.00 0.00 -ATOM 2567 H1 H2O C 184 12.298 8.163 32.658 0.00 0.00 -ATOM 2568 H2 H2O C 184 10.833 8.326 33.360 0.00 0.00 -ATOM 2569 O1 H2O C 185 26.411 5.152 29.805 0.00 0.00 -ATOM 2570 H1 H2O C 185 26.868 5.980 30.127 0.00 0.00 -ATOM 2571 H2 H2O C 185 26.180 5.252 28.837 0.00 0.00 -ATOM 2572 O1 H2O C 186 13.776 21.860 31.685 0.00 0.00 -ATOM 2573 H1 H2O C 186 13.551 21.559 32.612 0.00 0.00 -ATOM 2574 H2 H2O C 186 13.131 22.568 31.399 0.00 0.00 -ATOM 2575 O1 H2O C 187 24.422 20.417 26.343 0.00 0.00 -ATOM 2576 H1 H2O C 187 25.081 19.847 26.832 0.00 0.00 -ATOM 2577 H2 H2O C 187 24.342 21.303 26.801 0.00 0.00 -ATOM 2578 O1 H2O C 188 3.290 1.577 26.192 0.00 0.00 -ATOM 2579 H1 H2O C 188 2.881 2.488 26.255 0.00 0.00 -ATOM 2580 H2 H2O C 188 3.997 1.480 26.893 0.00 0.00 -ATOM 2581 O1 H2O C 189 25.423 27.762 24.258 0.00 0.00 -ATOM 2582 H1 H2O C 189 25.545 28.337 25.067 0.00 0.00 -ATOM 2583 H2 H2O C 189 25.660 26.817 24.483 0.00 0.00 -ATOM 2584 O1 H2O C 190 6.881 13.319 33.364 0.00 0.00 -ATOM 2585 H1 H2O C 190 7.173 12.364 33.303 0.00 0.00 -ATOM 2586 H2 H2O C 190 7.648 13.883 33.668 0.00 0.00 -ATOM 2587 O1 H2O C 191 18.507 5.189 27.122 0.00 0.00 -ATOM 2588 H1 H2O C 191 19.465 5.449 27.245 0.00 0.00 -ATOM 2589 H2 H2O C 191 18.425 4.193 27.155 0.00 0.00 -ATOM 2590 O1 H2O C 192 22.798 14.296 26.196 0.00 0.00 -ATOM 2591 H1 H2O C 192 22.382 13.480 25.794 0.00 0.00 -ATOM 2592 H2 H2O C 192 23.329 14.777 25.498 0.00 0.00 -ATOM 2593 O1 H2O C 193 15.161 3.802 25.905 0.00 0.00 -ATOM 2594 H1 H2O C 193 14.242 3.968 25.548 0.00 0.00 -ATOM 2595 H2 H2O C 193 15.096 3.353 26.797 0.00 0.00 -ATOM 2596 O1 H2O C 194 13.241 17.572 28.936 0.00 0.00 -ATOM 2597 H1 H2O C 194 12.530 17.945 28.340 0.00 0.00 -ATOM 2598 H2 H2O C 194 13.513 16.668 28.606 0.00 0.00 -ATOM 2599 O1 H2O C 195 4.403 23.533 25.419 0.00 0.00 -ATOM 2600 H1 H2O C 195 3.470 23.363 25.102 0.00 0.00 -ATOM 2601 H2 H2O C 195 4.594 22.960 26.216 0.00 0.00 -ATOM 2602 O1 H2O C 196 2.215 21.801 27.930 0.00 0.00 -ATOM 2603 H1 H2O C 196 1.610 22.517 28.280 0.00 0.00 -ATOM 2604 H2 H2O C 196 1.884 21.493 27.038 0.00 0.00 -ATOM 2605 O1 H2O C 197 4.277 16.746 33.029 0.00 0.00 -ATOM 2606 H1 H2O C 197 4.776 17.019 33.851 0.00 0.00 -ATOM 2607 H2 H2O C 197 4.908 16.316 32.383 0.00 0.00 -ATOM 2608 O1 H2O C 198 9.113 14.956 33.240 0.00 0.00 -ATOM 2609 H1 H2O C 198 9.959 14.424 33.290 0.00 0.00 -ATOM 2610 H2 H2O C 198 9.335 15.929 33.185 0.00 0.00 -ATOM 2611 O1 H2O C 199 1.168 14.935 31.283 0.00 0.00 -ATOM 2612 H1 H2O C 199 1.183 14.433 32.148 0.00 0.00 -ATOM 2613 H2 H2O C 199 1.050 14.292 30.526 0.00 0.00 -ATOM 2614 O1 H2O C 200 6.021 12.099 22.490 0.00 0.00 -ATOM 2615 H1 H2O C 200 6.817 11.525 22.679 0.00 0.00 -ATOM 2616 H2 H2O C 200 5.895 12.751 23.238 0.00 0.00 -ATOM 2617 O1 H2O C 201 16.103 9.734 22.746 0.00 0.00 -ATOM 2618 H1 H2O C 201 16.437 10.533 23.245 0.00 0.00 -ATOM 2619 H2 H2O C 201 16.862 9.303 22.259 0.00 0.00 -ATOM 2620 O1 H2O C 202 8.387 2.575 24.113 0.00 0.00 -ATOM 2621 H1 H2O C 202 8.384 2.561 25.113 0.00 0.00 -ATOM 2622 H2 H2O C 202 8.060 1.695 23.767 0.00 0.00 -ATOM 2623 O1 H2O C 203 25.493 4.320 33.903 0.00 0.00 -ATOM 2624 H1 H2O C 203 24.877 3.986 33.190 0.00 0.00 -ATOM 2625 H2 H2O C 203 26.160 3.609 34.128 0.00 0.00 -ATOM 2626 O1 H2O C 204 -0.140 6.894 33.909 0.00 0.00 -ATOM 2627 H1 H2O C 204 0.271 7.376 34.683 0.00 0.00 -ATOM 2628 H2 H2O C 204 -0.006 7.428 33.075 0.00 0.00 -ATOM 2629 O1 H2O C 205 3.349 28.447 27.529 0.00 0.00 -ATOM 2630 H1 H2O C 205 4.099 28.942 27.970 0.00 0.00 -ATOM 2631 H2 H2O C 205 2.485 28.912 27.721 0.00 0.00 -ATOM 2632 O1 H2O C 206 9.877 16.104 22.760 0.00 0.00 -ATOM 2633 H1 H2O C 206 10.536 16.856 22.729 0.00 0.00 -ATOM 2634 H2 H2O C 206 9.539 15.919 21.837 0.00 0.00 -ATOM 2635 O1 H2O C 207 29.145 23.517 33.797 0.00 0.00 -ATOM 2636 H1 H2O C 207 30.098 23.309 33.579 0.00 0.00 -ATOM 2637 H2 H2O C 207 28.906 24.413 33.422 0.00 0.00 -ATOM 2638 O1 H2O C 208 23.988 14.252 32.961 0.00 0.00 -ATOM 2639 H1 H2O C 208 24.033 15.058 32.371 0.00 0.00 -ATOM 2640 H2 H2O C 208 23.039 13.942 33.028 0.00 0.00 -ATOM 2641 O1 H2O C 209 16.830 15.601 23.433 0.00 0.00 -ATOM 2642 H1 H2O C 209 16.600 15.432 22.475 0.00 0.00 -ATOM 2643 H2 H2O C 209 16.292 16.372 23.773 0.00 0.00 -ATOM 2644 O1 H2O C 210 10.434 10.526 31.787 0.00 0.00 -ATOM 2645 H1 H2O C 210 11.017 9.977 32.386 0.00 0.00 -ATOM 2646 H2 H2O C 210 9.661 9.974 31.476 0.00 0.00 -ATOM 2647 O1 H2O C 211 22.344 18.780 25.957 0.00 0.00 -ATOM 2648 H1 H2O C 211 23.197 19.282 26.103 0.00 0.00 -ATOM 2649 H2 H2O C 211 22.356 18.359 25.051 0.00 0.00 -ATOM 2650 O1 H2O C 212 25.411 9.986 25.905 0.00 0.00 -ATOM 2651 H1 H2O C 212 25.097 10.437 25.069 0.00 0.00 -ATOM 2652 H2 H2O C 212 26.319 9.595 25.751 0.00 0.00 -ATOM 2653 O1 H2O C 213 10.634 20.485 33.301 0.00 0.00 -ATOM 2654 H1 H2O C 213 10.419 21.254 33.903 0.00 0.00 -ATOM 2655 H2 H2O C 213 11.545 20.135 33.520 0.00 0.00 -ATOM 2656 O1 H2O C 214 23.465 8.029 28.616 0.00 0.00 -ATOM 2657 H1 H2O C 214 23.274 7.106 28.950 0.00 0.00 -ATOM 2658 H2 H2O C 214 24.125 7.982 27.866 0.00 0.00 -ATOM 2659 O1 H2O C 215 25.640 7.214 26.522 0.00 0.00 -ATOM 2660 H1 H2O C 215 26.434 7.119 25.922 0.00 0.00 -ATOM 2661 H2 H2O C 215 24.930 7.741 26.055 0.00 0.00 -ATOM 2662 O1 H2O C 216 17.310 12.110 30.094 0.00 0.00 -ATOM 2663 H1 H2O C 216 16.352 12.363 30.226 0.00 0.00 -ATOM 2664 H2 H2O C 216 17.798 12.868 29.660 0.00 0.00 -ATOM 2665 O1 H2O C 217 21.097 19.873 33.726 0.00 0.00 -ATOM 2666 H1 H2O C 217 20.474 19.121 33.944 0.00 0.00 -ATOM 2667 H2 H2O C 217 22.020 19.639 34.032 0.00 0.00 -ATOM 2668 O1 H2O C 218 4.421 12.241 20.160 0.00 0.00 -ATOM 2669 H1 H2O C 218 3.871 13.020 19.860 0.00 0.00 -ATOM 2670 H2 H2O C 218 5.045 12.534 20.886 0.00 0.00 -ATOM 2671 O1 H2O C 219 28.161 15.614 30.351 0.00 0.00 -ATOM 2672 H1 H2O C 219 29.140 15.740 30.510 0.00 0.00 -ATOM 2673 H2 H2O C 219 27.666 15.737 31.211 0.00 0.00 -ATOM 2674 O1 H2O C 220 3.341 16.841 22.345 0.00 0.00 -ATOM 2675 H1 H2O C 220 2.722 16.826 21.560 0.00 0.00 -ATOM 2676 H2 H2O C 220 3.777 17.738 22.409 0.00 0.00 -ATOM 2677 O1 H2O C 221 15.632 15.672 30.653 0.00 0.00 -ATOM 2678 H1 H2O C 221 16.207 16.215 30.040 0.00 0.00 -ATOM 2679 H2 H2O C 221 15.056 15.058 30.113 0.00 0.00 -ATOM 2680 O1 H2O C 222 21.733 12.908 33.233 0.00 0.00 -ATOM 2681 H1 H2O C 222 21.799 12.004 33.655 0.00 0.00 -ATOM 2682 H2 H2O C 222 20.833 13.299 33.423 0.00 0.00 -ATOM 2683 O1 H2O C 223 25.482 12.756 23.260 0.00 0.00 -ATOM 2684 H1 H2O C 223 25.177 13.406 23.957 0.00 0.00 -ATOM 2685 H2 H2O C 223 25.668 13.245 22.408 0.00 0.00 -ATOM 2686 O1 H2O C 224 13.456 14.478 33.484 0.00 0.00 -ATOM 2687 H1 H2O C 224 12.875 15.053 32.908 0.00 0.00 -ATOM 2688 H2 H2O C 224 13.917 15.047 34.165 0.00 0.00 -ATOM 2689 O1 H2O C 225 5.757 22.422 23.054 0.00 0.00 -ATOM 2690 H1 H2O C 225 6.518 21.776 23.113 0.00 0.00 -ATOM 2691 H2 H2O C 225 4.961 22.043 23.527 0.00 0.00 -ATOM 2692 O1 H2O C 226 7.669 22.528 20.119 0.00 0.00 -ATOM 2693 H1 H2O C 226 6.750 22.133 20.088 0.00 0.00 -ATOM 2694 H2 H2O C 226 7.604 23.525 20.067 0.00 0.00 -ATOM 2695 O1 H2O C 227 22.748 19.066 28.720 0.00 0.00 -ATOM 2696 H1 H2O C 227 22.027 18.609 29.240 0.00 0.00 -ATOM 2697 H2 H2O C 227 22.599 18.918 27.742 0.00 0.00 -ATOM 2698 O1 H2O C 228 12.656 13.665 26.284 0.00 0.00 -ATOM 2699 H1 H2O C 228 13.178 13.633 25.432 0.00 0.00 -ATOM 2700 H2 H2O C 228 11.744 14.032 26.102 0.00 0.00 -ATOM 2701 O1 H2O C 229 26.959 26.327 19.622 0.00 0.00 -ATOM 2702 H1 H2O C 229 27.529 27.121 19.410 0.00 0.00 -ATOM 2703 H2 H2O C 229 26.881 26.228 20.614 0.00 0.00 -ATOM 2704 O1 H2O C 230 13.439 7.490 31.451 0.00 0.00 -ATOM 2705 H1 H2O C 230 14.322 7.076 31.231 0.00 0.00 -ATOM 2706 H2 H2O C 230 12.789 7.300 30.716 0.00 0.00 -ATOM 2707 O1 H2O C 231 27.786 23.878 26.261 0.00 0.00 -ATOM 2708 H1 H2O C 231 28.012 24.351 27.113 0.00 0.00 -ATOM 2709 H2 H2O C 231 27.740 22.893 26.430 0.00 0.00 -ATOM 2710 O1 H2O C 232 17.050 17.462 29.361 0.00 0.00 -ATOM 2711 H1 H2O C 232 17.795 17.573 28.703 0.00 0.00 -ATOM 2712 H2 H2O C 232 16.938 18.307 29.884 0.00 0.00 -ATOM 2713 O1 H2O C 233 14.638 3.327 33.139 0.00 0.00 -ATOM 2714 H1 H2O C 233 15.130 2.979 32.341 0.00 0.00 -ATOM 2715 H2 H2O C 233 13.934 2.670 33.410 0.00 0.00 -ATOM 2716 O1 H2O C 234 16.408 19.776 19.743 0.00 0.00 -ATOM 2717 H1 H2O C 234 16.143 18.919 19.300 0.00 0.00 -ATOM 2718 H2 H2O C 234 15.891 19.886 20.592 0.00 0.00 -ATOM 2719 O1 H2O C 235 19.614 4.376 33.394 0.00 0.00 -ATOM 2720 H1 H2O C 235 20.218 4.904 32.797 0.00 0.00 -ATOM 2721 H2 H2O C 235 18.685 4.744 33.339 0.00 0.00 -ATOM 2722 O1 H2O C 236 23.243 27.429 30.238 0.00 0.00 -ATOM 2723 H1 H2O C 236 22.762 26.566 30.395 0.00 0.00 -ATOM 2724 H2 H2O C 236 22.653 28.192 30.502 0.00 0.00 -ATOM 2725 O1 H2O C 237 2.623 13.059 22.695 0.00 0.00 -ATOM 2726 H1 H2O C 237 2.810 12.509 21.882 0.00 0.00 -ATOM 2727 H2 H2O C 237 3.344 13.742 22.809 0.00 0.00 -ATOM 2728 O1 H2O C 238 25.288 26.762 33.511 0.00 0.00 -ATOM 2729 H1 H2O C 238 24.812 26.673 32.636 0.00 0.00 -ATOM 2730 H2 H2O C 238 24.677 26.486 34.253 0.00 0.00 -ATOM 2731 O1 H2O C 239 7.899 4.214 31.299 0.00 0.00 -ATOM 2732 H1 H2O C 239 7.711 3.837 32.206 0.00 0.00 -ATOM 2733 H2 H2O C 239 7.556 5.152 31.251 0.00 0.00 -ATOM 2734 O1 H2O C 240 1.052 18.430 22.941 0.00 0.00 -ATOM 2735 H1 H2O C 240 1.323 18.762 22.038 0.00 0.00 -ATOM 2736 H2 H2O C 240 1.823 18.515 23.573 0.00 0.00 -ATOM 2737 O1 H2O C 241 13.571 24.336 23.223 0.00 0.00 -ATOM 2738 H1 H2O C 241 14.401 24.600 23.714 0.00 0.00 -ATOM 2739 H2 H2O C 241 13.446 24.937 22.433 0.00 0.00 -ATOM 2740 O1 H2O C 242 21.107 5.685 27.288 0.00 0.00 -ATOM 2741 H1 H2O C 242 21.920 5.985 26.789 0.00 0.00 -ATOM 2742 H2 H2O C 242 21.253 4.759 27.637 0.00 0.00 -ATOM 2743 O1 H2O C 243 20.920 -0.071 28.274 0.00 0.00 -ATOM 2744 H1 H2O C 243 21.827 0.350 28.243 0.00 0.00 -ATOM 2745 H2 H2O C 243 20.603 -0.111 29.221 0.00 0.00 -ATOM 2746 O1 H2O C 244 7.035 6.125 25.439 0.00 0.00 -ATOM 2747 H1 H2O C 244 6.533 6.381 26.266 0.00 0.00 -ATOM 2748 H2 H2O C 244 7.291 6.951 24.936 0.00 0.00 -ATOM 2749 O1 H2O C 245 23.414 3.655 32.491 0.00 0.00 -ATOM 2750 H1 H2O C 245 23.476 3.593 31.495 0.00 0.00 -ATOM 2751 H2 H2O C 245 22.533 3.289 32.793 0.00 0.00 -ATOM 2752 O1 H2O C 246 13.084 5.477 33.327 0.00 0.00 -ATOM 2753 H1 H2O C 246 13.662 4.664 33.397 0.00 0.00 -ATOM 2754 H2 H2O C 246 13.588 6.206 32.865 0.00 0.00 -ATOM 2755 O1 H2O C 247 6.866 19.073 33.659 0.00 0.00 -ATOM 2756 H1 H2O C 247 6.863 18.185 33.199 0.00 0.00 -ATOM 2757 H2 H2O C 247 6.094 19.123 34.292 0.00 0.00 -ATOM 2758 O1 H2O C 248 27.952 10.385 33.695 0.00 0.00 -ATOM 2759 H1 H2O C 248 27.038 10.790 33.672 0.00 0.00 -ATOM 2760 H2 H2O C 248 27.876 9.396 33.816 0.00 0.00 -ATOM 2761 O1 H2O C 249 24.152 19.232 21.821 0.00 0.00 -ATOM 2762 H1 H2O C 249 23.684 19.612 21.023 0.00 0.00 -ATOM 2763 H2 H2O C 249 24.294 19.952 22.499 0.00 0.00 -ATOM 2764 O1 H2O C 250 11.802 19.791 27.593 0.00 0.00 -ATOM 2765 H1 H2O C 250 11.954 20.507 28.274 0.00 0.00 -ATOM 2766 H2 H2O C 250 10.962 19.987 27.086 0.00 0.00 -ATOM 2767 O1 H2O C 251 20.257 24.189 21.939 0.00 0.00 -ATOM 2768 H1 H2O C 251 20.224 23.234 22.235 0.00 0.00 -ATOM 2769 H2 H2O C 251 19.434 24.663 22.251 0.00 0.00 -ATOM 2770 O1 H2O C 252 6.804 12.706 25.997 0.00 0.00 -ATOM 2771 H1 H2O C 252 6.500 11.978 25.382 0.00 0.00 -ATOM 2772 H2 H2O C 252 6.007 13.192 26.357 0.00 0.00 -ATOM 2773 O1 H2O C 253 25.562 6.300 19.755 0.00 0.00 -ATOM 2774 H1 H2O C 253 25.893 6.969 20.421 0.00 0.00 -ATOM 2775 H2 H2O C 253 26.251 5.585 19.630 0.00 0.00 -ATOM 2776 O1 H2O C 254 1.404 13.789 33.751 0.00 0.00 -ATOM 2777 H1 H2O C 254 2.399 13.895 33.737 0.00 0.00 -ATOM 2778 H2 H2O C 254 1.173 12.817 33.783 0.00 0.00 -ATOM 2779 O1 H2O C 255 16.359 1.838 24.660 0.00 0.00 -ATOM 2780 H1 H2O C 255 16.001 2.626 25.160 0.00 0.00 -ATOM 2781 H2 H2O C 255 16.037 1.869 23.714 0.00 0.00 -ATOM 2782 O1 H2O C 256 19.194 15.225 19.991 0.00 0.00 -ATOM 2783 H1 H2O C 256 18.242 15.475 19.817 0.00 0.00 -ATOM 2784 H2 H2O C 256 19.472 14.505 19.355 0.00 0.00 -ATOM 2785 O1 H2O C 257 21.452 15.858 33.620 0.00 0.00 -ATOM 2786 H1 H2O C 257 21.273 16.830 33.465 0.00 0.00 -ATOM 2787 H2 H2O C 257 22.429 15.677 33.500 0.00 0.00 -ATOM 2788 O1 H2O C 258 13.250 0.290 22.795 0.00 0.00 -ATOM 2789 H1 H2O C 258 13.804 -0.528 22.952 0.00 0.00 -ATOM 2790 H2 H2O C 258 13.835 1.100 22.830 0.00 0.00 -ATOM 2791 O1 H2O C 259 3.406 12.178 31.718 0.00 0.00 -ATOM 2792 H1 H2O C 259 3.333 12.890 32.415 0.00 0.00 -ATOM 2793 H2 H2O C 259 4.282 12.265 31.243 0.00 0.00 -ATOM 2794 O1 H2O C 260 3.044 25.615 23.647 0.00 0.00 -ATOM 2795 H1 H2O C 260 3.793 25.116 23.212 0.00 0.00 -ATOM 2796 H2 H2O C 260 3.416 26.363 24.197 0.00 0.00 -ATOM 2797 O1 H2O C 261 0.332 25.733 19.807 0.00 0.00 -ATOM 2798 H1 H2O C 261 0.304 24.744 19.665 0.00 0.00 -ATOM 2799 H2 H2O C 261 0.750 25.931 20.693 0.00 0.00 -ATOM 2800 O1 H2O C 262 1.685 7.281 19.838 0.00 0.00 -ATOM 2801 H1 H2O C 262 1.715 8.127 20.371 0.00 0.00 -ATOM 2802 H2 H2O C 262 0.767 7.157 19.461 0.00 0.00 -ATOM 2803 O1 H2O C 263 21.214 9.224 25.875 0.00 0.00 -ATOM 2804 H1 H2O C 263 20.253 9.500 25.904 0.00 0.00 -ATOM 2805 H2 H2O C 263 21.775 9.920 26.323 0.00 0.00 -ATOM 2806 O1 H2O C 264 26.521 4.455 22.279 0.00 0.00 -ATOM 2807 H1 H2O C 264 26.186 3.911 21.509 0.00 0.00 -ATOM 2808 H2 H2O C 264 27.296 3.988 22.704 0.00 0.00 -ATOM 2809 O1 H2O C 265 3.827 8.868 22.129 0.00 0.00 -ATOM 2810 H1 H2O C 265 4.390 9.100 21.336 0.00 0.00 -ATOM 2811 H2 H2O C 265 4.122 7.988 22.501 0.00 0.00 -ATOM 2812 O1 H2O C 266 26.125 9.465 20.001 0.00 0.00 -ATOM 2813 H1 H2O C 266 25.212 9.871 19.959 0.00 0.00 -ATOM 2814 H2 H2O C 266 26.806 10.148 19.737 0.00 0.00 -ATOM 2815 O1 H2O C 267 5.800 20.227 29.372 0.00 0.00 -ATOM 2816 H1 H2O C 267 5.745 19.229 29.372 0.00 0.00 -ATOM 2817 H2 H2O C 267 6.397 20.528 30.115 0.00 0.00 -ATOM 2818 O1 H2O C 268 7.367 29.890 33.110 0.00 0.00 -ATOM 2819 H1 H2O C 268 7.080 28.943 33.256 0.00 0.00 -ATOM 2820 H2 H2O C 268 7.190 30.148 32.160 0.00 0.00 -ATOM 2821 O1 H2O C 269 8.319 21.215 30.677 0.00 0.00 -ATOM 2822 H1 H2O C 269 8.410 22.112 30.245 0.00 0.00 -ATOM 2823 H2 H2O C 269 8.446 21.306 31.665 0.00 0.00 -ATOM 2824 O1 H2O C 270 6.197 28.317 28.704 0.00 0.00 -ATOM 2825 H1 H2O C 270 6.336 27.346 28.509 0.00 0.00 -ATOM 2826 H2 H2O C 270 6.748 28.866 28.076 0.00 0.00 -ATOM 2827 O1 H2O C 271 10.088 14.659 24.722 0.00 0.00 -ATOM 2828 H1 H2O C 271 9.949 15.338 24.001 0.00 0.00 -ATOM 2829 H2 H2O C 271 10.505 13.838 24.330 0.00 0.00 -ATOM 2830 O1 H2O C 272 3.478 15.316 25.699 0.00 0.00 -ATOM 2831 H1 H2O C 272 4.114 15.252 24.930 0.00 0.00 -ATOM 2832 H2 H2O C 272 2.540 15.339 25.354 0.00 0.00 -ATOM 2833 O1 H2O C 273 9.600 29.008 20.738 0.00 0.00 -ATOM 2834 H1 H2O C 273 9.868 28.655 21.634 0.00 0.00 -ATOM 2835 H2 H2O C 273 10.066 29.877 20.569 0.00 0.00 -ATOM 2836 O1 H2O C 274 15.949 8.972 26.072 0.00 0.00 -ATOM 2837 H1 H2O C 274 15.857 9.000 27.067 0.00 0.00 -ATOM 2838 H2 H2O C 274 15.987 8.020 25.768 0.00 0.00 -ATOM 2839 O1 H2O C 275 16.853 6.660 20.505 0.00 0.00 -ATOM 2840 H1 H2O C 275 16.656 6.138 21.335 0.00 0.00 -ATOM 2841 H2 H2O C 275 16.014 6.766 19.971 0.00 0.00 -ATOM 2842 O1 H2O C 276 15.294 27.476 20.310 0.00 0.00 -ATOM 2843 H1 H2O C 276 14.924 26.556 20.182 0.00 0.00 -ATOM 2844 H2 H2O C 276 16.274 27.473 20.108 0.00 0.00 -ATOM 2845 O1 H2O C 277 17.916 11.775 23.653 0.00 0.00 -ATOM 2846 H1 H2O C 277 17.396 12.341 24.293 0.00 0.00 -ATOM 2847 H2 H2O C 277 18.407 12.364 23.011 0.00 0.00 -ATOM 2848 O1 H2O C 278 11.853 16.044 31.802 0.00 0.00 -ATOM 2849 H1 H2O C 278 11.418 15.411 31.162 0.00 0.00 -ATOM 2850 H2 H2O C 278 11.170 16.683 32.156 0.00 0.00 -ATOM 2851 O1 H2O C 279 8.811 6.682 29.410 0.00 0.00 -ATOM 2852 H1 H2O C 279 8.976 6.778 28.428 0.00 0.00 -ATOM 2853 H2 H2O C 279 9.665 6.437 29.869 0.00 0.00 -ATOM 2854 O1 H2O C 280 7.872 15.155 26.167 0.00 0.00 -ATOM 2855 H1 H2O C 280 7.235 14.389 26.081 0.00 0.00 -ATOM 2856 H2 H2O C 280 8.766 14.887 25.809 0.00 0.00 -ATOM 2857 O1 H2O C 281 13.082 19.709 33.628 0.00 0.00 -ATOM 2858 H1 H2O C 281 13.572 19.479 34.469 0.00 0.00 -ATOM 2859 H2 H2O C 281 13.479 19.204 32.862 0.00 0.00 -ATOM 2860 O1 H2O C 282 18.925 25.046 30.884 0.00 0.00 -ATOM 2861 H1 H2O C 282 19.813 25.237 30.466 0.00 0.00 -ATOM 2862 H2 H2O C 282 18.620 24.132 30.616 0.00 0.00 -ATOM 2863 O1 H2O C 283 1.346 17.952 30.066 0.00 0.00 -ATOM 2864 H1 H2O C 283 1.715 17.326 30.753 0.00 0.00 -ATOM 2865 H2 H2O C 283 2.084 18.260 29.466 0.00 0.00 -ATOM 2866 O1 H2O C 284 0.994 11.416 25.658 0.00 0.00 -ATOM 2867 H1 H2O C 284 1.777 11.213 25.070 0.00 0.00 -ATOM 2868 H2 H2O C 284 1.200 11.133 26.595 0.00 0.00 -ATOM 2869 O1 H2O C 285 6.055 27.734 20.082 0.00 0.00 -ATOM 2870 H1 H2O C 285 5.658 27.860 20.991 0.00 0.00 -ATOM 2871 H2 H2O C 285 6.383 28.614 19.736 0.00 0.00 -ATOM 2872 O1 H2O C 286 20.994 29.421 22.449 0.00 0.00 -ATOM 2873 H1 H2O C 286 20.252 30.042 22.699 0.00 0.00 -ATOM 2874 H2 H2O C 286 20.990 28.632 23.064 0.00 0.00 -ATOM 2875 O1 H2O C 287 21.898 12.039 24.762 0.00 0.00 -ATOM 2876 H1 H2O C 287 22.089 12.754 24.090 0.00 0.00 -ATOM 2877 H2 H2O C 287 21.666 11.189 24.289 0.00 0.00 -ATOM 2878 O1 H2O C 288 26.821 24.336 31.267 0.00 0.00 -ATOM 2879 H1 H2O C 288 26.620 24.905 30.470 0.00 0.00 -ATOM 2880 H2 H2O C 288 27.571 24.745 31.788 0.00 0.00 -ATOM 2881 O1 H2O C 289 6.993 0.562 30.500 0.00 0.00 -ATOM 2882 H1 H2O C 289 6.507 -0.038 29.865 0.00 0.00 -ATOM 2883 H2 H2O C 289 7.329 1.366 30.010 0.00 0.00 -ATOM 2884 O1 H2O C 290 14.072 15.139 28.084 0.00 0.00 -ATOM 2885 H1 H2O C 290 13.485 14.737 27.380 0.00 0.00 -ATOM 2886 H2 H2O C 290 15.007 15.212 27.736 0.00 0.00 -ATOM 2887 O1 H2O C 291 6.300 25.493 28.354 0.00 0.00 -ATOM 2888 H1 H2O C 291 6.552 24.796 27.683 0.00 0.00 -ATOM 2889 H2 H2O C 291 5.581 25.137 28.951 0.00 0.00 -ATOM 2890 O1 H2O C 292 22.687 13.187 20.218 0.00 0.00 -ATOM 2891 H1 H2O C 292 22.424 13.347 19.267 0.00 0.00 -ATOM 2892 H2 H2O C 292 23.649 13.431 20.344 0.00 0.00 -ATOM 2893 O1 H2O C 293 29.140 13.670 25.822 0.00 0.00 -ATOM 2894 H1 H2O C 293 29.373 14.351 25.128 0.00 0.00 -ATOM 2895 H2 H2O C 293 29.617 12.814 25.620 0.00 0.00 -ATOM 2896 O1 H2O C 294 22.013 24.957 30.736 0.00 0.00 -ATOM 2897 H1 H2O C 294 22.014 25.023 31.734 0.00 0.00 -ATOM 2898 H2 H2O C 294 22.769 24.373 30.440 0.00 0.00 -ATOM 2899 O1 H2O C 295 15.770 19.004 26.931 0.00 0.00 -ATOM 2900 H1 H2O C 295 16.104 18.349 27.609 0.00 0.00 -ATOM 2901 H2 H2O C 295 15.968 19.934 27.240 0.00 0.00 -ATOM 2902 O1 H2O C 296 6.807 29.479 26.305 0.00 0.00 -ATOM 2903 H1 H2O C 296 6.778 28.484 26.208 0.00 0.00 -ATOM 2904 H2 H2O C 296 5.917 29.810 26.620 0.00 0.00 -ATOM 2905 O1 H2O C 297 27.444 6.046 24.345 0.00 0.00 -ATOM 2906 H1 H2O C 297 28.357 6.119 23.942 0.00 0.00 -ATOM 2907 H2 H2O C 297 26.834 5.578 23.705 0.00 0.00 -ATOM 2908 O1 H2O C 298 29.238 28.028 29.312 0.00 0.00 -ATOM 2909 H1 H2O C 298 28.703 28.384 30.078 0.00 0.00 -ATOM 2910 H2 H2O C 298 29.516 28.785 28.720 0.00 0.00 -ATOM 2911 O1 H2O C 299 20.444 17.046 21.372 0.00 0.00 -ATOM 2912 H1 H2O C 299 21.370 17.065 20.994 0.00 0.00 -ATOM 2913 H2 H2O C 299 19.901 16.360 20.887 0.00 0.00 -ATOM 2914 O1 H2O C 300 11.597 26.619 31.923 0.00 0.00 -ATOM 2915 H1 H2O C 300 10.812 26.362 32.487 0.00 0.00 -ATOM 2916 H2 H2O C 300 11.460 27.542 31.562 0.00 0.00 -ATOM 2917 O1 H2O C 301 13.121 18.296 25.596 0.00 0.00 -ATOM 2918 H1 H2O C 301 14.085 18.230 25.853 0.00 0.00 -ATOM 2919 H2 H2O C 301 12.761 19.186 25.876 0.00 0.00 -ATOM 2920 O1 H2O C 302 21.300 27.656 24.709 0.00 0.00 -ATOM 2921 H1 H2O C 302 21.857 28.326 25.199 0.00 0.00 -ATOM 2922 H2 H2O C 302 21.800 26.793 24.639 0.00 0.00 -ATOM 2923 O1 H2O C 303 19.755 29.560 33.734 0.00 0.00 -ATOM 2924 H1 H2O C 303 20.532 28.946 33.602 0.00 0.00 -ATOM 2925 H2 H2O C 303 18.911 29.025 33.784 0.00 0.00 -ATOM 2926 O1 H2O C 304 2.268 29.395 24.559 0.00 0.00 -ATOM 2927 H1 H2O C 304 2.695 30.271 24.782 0.00 0.00 -ATOM 2928 H2 H2O C 304 2.952 28.668 24.610 0.00 0.00 -ATOM 2929 O1 H2O C 305 11.151 16.649 26.629 0.00 0.00 -ATOM 2930 H1 H2O C 305 10.693 16.115 25.918 0.00 0.00 -ATOM 2931 H2 H2O C 305 11.895 17.177 26.221 0.00 0.00 -ATOM 2932 O1 H2O C 306 24.015 16.783 31.989 0.00 0.00 -ATOM 2933 H1 H2O C 306 24.991 16.719 32.196 0.00 0.00 -ATOM 2934 H2 H2O C 306 23.878 17.408 31.220 0.00 0.00 -ATOM 2935 O1 H2O C 307 9.542 -0.333 30.823 0.00 0.00 -ATOM 2936 H1 H2O C 307 8.578 -0.121 30.662 0.00 0.00 -ATOM 2937 H2 H2O C 307 10.094 0.486 30.667 0.00 0.00 -ATOM 2938 O1 H2O C 308 5.271 0.948 21.611 0.00 0.00 -ATOM 2939 H1 H2O C 308 5.964 0.834 20.898 0.00 0.00 -ATOM 2940 H2 H2O C 308 4.432 1.310 21.206 0.00 0.00 -ATOM 2941 O1 H2O C 309 14.784 28.283 28.159 0.00 0.00 -ATOM 2942 H1 H2O C 309 15.091 27.383 28.469 0.00 0.00 -ATOM 2943 H2 H2O C 309 15.001 28.393 27.189 0.00 0.00 -ATOM 2944 O1 H2O C 310 2.821 25.766 27.896 0.00 0.00 -ATOM 2945 H1 H2O C 310 3.133 26.715 27.935 0.00 0.00 -ATOM 2946 H2 H2O C 310 1.925 25.727 27.453 0.00 0.00 -ATOM 2947 O1 H2O C 311 15.104 -0.099 32.642 0.00 0.00 -ATOM 2948 H1 H2O C 311 14.558 0.505 33.222 0.00 0.00 -ATOM 2949 H2 H2O C 311 14.816 0.004 31.690 0.00 0.00 -ATOM 2950 O1 H2O C 312 21.693 25.150 33.559 0.00 0.00 -ATOM 2951 H1 H2O C 312 21.728 24.202 33.876 0.00 0.00 -ATOM 2952 H2 H2O C 312 20.767 25.507 33.678 0.00 0.00 -ATOM 2953 O1 H2O C 313 12.771 3.758 24.630 0.00 0.00 -ATOM 2954 H1 H2O C 313 11.948 3.590 24.087 0.00 0.00 -ATOM 2955 H2 H2O C 313 13.334 4.449 24.175 0.00 0.00 -ATOM 2956 O1 H2O C 314 6.617 7.948 32.960 0.00 0.00 -ATOM 2957 H1 H2O C 314 6.686 8.669 33.649 0.00 0.00 -ATOM 2958 H2 H2O C 314 5.730 7.493 33.042 0.00 0.00 -ATOM 2959 O1 H2O C 315 17.413 28.341 33.261 0.00 0.00 -ATOM 2960 H1 H2O C 315 16.632 28.965 33.301 0.00 0.00 -ATOM 2961 H2 H2O C 315 17.652 28.167 32.306 0.00 0.00 -ATOM 2962 O1 H2O C 316 17.489 19.970 30.004 0.00 0.00 -ATOM 2963 H1 H2O C 316 16.797 20.495 30.499 0.00 0.00 -ATOM 2964 H2 H2O C 316 18.381 20.105 30.434 0.00 0.00 -ATOM 2965 O1 H2O C 317 2.184 27.449 30.395 0.00 0.00 -ATOM 2966 H1 H2O C 317 1.340 27.526 29.863 0.00 0.00 -ATOM 2967 H2 H2O C 317 1.967 27.482 31.370 0.00 0.00 -ATOM 2968 O1 H2O C 318 0.198 6.024 28.058 0.00 0.00 -ATOM 2969 H1 H2O C 318 -0.548 6.682 28.160 0.00 0.00 -ATOM 2970 H2 H2O C 318 0.358 5.564 28.931 0.00 0.00 -ATOM 2971 O1 H2O C 319 24.636 22.992 22.876 0.00 0.00 -ATOM 2972 H1 H2O C 319 24.497 22.062 23.218 0.00 0.00 -ATOM 2973 H2 H2O C 319 23.858 23.258 22.308 0.00 0.00 -ATOM 2974 O1 H2O C 320 -0.058 4.234 20.045 0.00 0.00 -ATOM 2975 H1 H2O C 320 -0.094 3.255 19.845 0.00 0.00 -ATOM 2976 H2 H2O C 320 0.893 4.512 20.179 0.00 0.00 -ATOM 2977 O1 H2O C 321 27.715 21.112 26.535 0.00 0.00 -ATOM 2978 H1 H2O C 321 27.276 20.403 27.088 0.00 0.00 -ATOM 2979 H2 H2O C 321 27.825 20.782 25.597 0.00 0.00 -ATOM 2980 O1 H2O C 322 1.970 4.273 24.754 0.00 0.00 -ATOM 2981 H1 H2O C 322 2.593 4.927 25.184 0.00 0.00 -ATOM 2982 H2 H2O C 322 1.397 3.849 25.455 0.00 0.00 -ATOM 2983 O1 H2O C 323 14.134 18.475 31.438 0.00 0.00 -ATOM 2984 H1 H2O C 323 13.726 17.866 30.758 0.00 0.00 -ATOM 2985 H2 H2O C 323 14.787 19.086 30.990 0.00 0.00 -ATOM 2986 O1 H2O C 324 28.104 10.886 29.174 0.00 0.00 -ATOM 2987 H1 H2O C 324 27.893 11.240 30.085 0.00 0.00 -ATOM 2988 H2 H2O C 324 27.777 11.530 28.482 0.00 0.00 -ATOM 2989 O1 H2O C 325 25.114 14.197 20.604 0.00 0.00 -ATOM 2990 H1 H2O C 325 24.883 15.085 20.999 0.00 0.00 -ATOM 2991 H2 H2O C 325 26.024 14.242 20.191 0.00 0.00 -ATOM 2992 O1 H2O C 326 17.504 0.279 29.671 0.00 0.00 -ATOM 2993 H1 H2O C 326 18.055 0.682 30.402 0.00 0.00 -ATOM 2994 H2 H2O C 326 16.554 0.573 29.769 0.00 0.00 -ATOM 2995 O1 H2O C 327 28.302 26.152 33.220 0.00 0.00 -ATOM 2996 H1 H2O C 327 27.347 26.448 33.234 0.00 0.00 -ATOM 2997 H2 H2O C 327 28.891 26.932 33.010 0.00 0.00 -ATOM 2998 O1 H2O C 328 28.192 14.249 33.966 0.00 0.00 -ATOM 2999 H1 H2O C 328 28.005 13.795 34.838 0.00 0.00 -ATOM 3000 H2 H2O C 328 29.180 14.286 33.816 0.00 0.00 -ATOM 3001 O1 H2O C 329 23.283 26.387 26.538 0.00 0.00 -ATOM 3002 H1 H2O C 329 23.461 27.324 26.240 0.00 0.00 -ATOM 3003 H2 H2O C 329 22.653 26.398 27.315 0.00 0.00 -ATOM 3004 O1 H2O C 330 19.382 7.608 23.524 0.00 0.00 -ATOM 3005 H1 H2O C 330 19.179 8.441 24.039 0.00 0.00 -ATOM 3006 H2 H2O C 330 18.559 7.043 23.467 0.00 0.00 -ATOM 3007 O1 H2O C 331 9.601 15.342 20.042 0.00 0.00 -ATOM 3008 H1 H2O C 331 8.607 15.420 19.961 0.00 0.00 -ATOM 3009 H2 H2O C 331 9.883 14.413 19.804 0.00 0.00 -ATOM 3010 O1 H2O C 332 12.013 21.966 29.180 0.00 0.00 -ATOM 3011 H1 H2O C 332 11.448 22.391 29.888 0.00 0.00 -ATOM 3012 H2 H2O C 332 12.140 22.608 28.425 0.00 0.00 -ATOM 3013 O1 H2O C 333 25.780 25.695 29.166 0.00 0.00 -ATOM 3014 H1 H2O C 333 25.466 26.635 29.033 0.00 0.00 -ATOM 3015 H2 H2O C 333 25.009 25.123 29.445 0.00 0.00 -ATOM 3016 O1 H2O C 334 3.039 8.467 26.674 0.00 0.00 -ATOM 3017 H1 H2O C 334 2.044 8.517 26.587 0.00 0.00 -ATOM 3018 H2 H2O C 334 3.368 9.256 27.193 0.00 0.00 -ATOM 3019 O1 H2O C 335 10.812 2.874 23.131 0.00 0.00 -ATOM 3020 H1 H2O C 335 9.867 2.720 23.419 0.00 0.00 -ATOM 3021 H2 H2O C 335 10.965 2.440 22.243 0.00 0.00 -ATOM 3022 O1 H2O C 336 14.127 2.720 28.212 0.00 0.00 -ATOM 3023 H1 H2O C 336 13.753 2.128 27.499 0.00 0.00 -ATOM 3024 H2 H2O C 336 13.404 3.311 28.569 0.00 0.00 -ATOM 3025 O1 H2O C 337 5.299 18.605 26.855 0.00 0.00 -ATOM 3026 H1 H2O C 337 5.067 19.557 26.657 0.00 0.00 -ATOM 3027 H2 H2O C 337 6.145 18.362 26.381 0.00 0.00 -ATOM 3028 O1 H2O C 338 21.583 10.004 23.062 0.00 0.00 -ATOM 3029 H1 H2O C 338 20.990 9.238 23.308 0.00 0.00 -ATOM 3030 H2 H2O C 338 21.239 10.437 22.228 0.00 0.00 -ATOM 3031 O1 H2O C 339 2.415 22.061 22.057 0.00 0.00 -ATOM 3032 H1 H2O C 339 2.522 22.954 21.620 0.00 0.00 -ATOM 3033 H2 H2O C 339 2.042 22.183 22.977 0.00 0.00 -ATOM 3034 O1 H2O C 340 28.215 21.720 30.175 0.00 0.00 -ATOM 3035 H1 H2O C 340 27.492 22.243 30.626 0.00 0.00 -ATOM 3036 H2 H2O C 340 28.692 22.306 29.521 0.00 0.00 -ATOM 3037 O1 H2O C 341 8.853 26.997 29.298 0.00 0.00 -ATOM 3038 H1 H2O C 341 7.921 26.794 29.598 0.00 0.00 -ATOM 3039 H2 H2O C 341 9.251 27.692 29.896 0.00 0.00 -ATOM 3040 O1 H2O C 342 12.856 8.331 26.278 0.00 0.00 -ATOM 3041 H1 H2O C 342 13.334 8.068 25.440 0.00 0.00 -ATOM 3042 H2 H2O C 342 13.480 8.840 26.871 0.00 0.00 -ATOM 3043 O1 H2O C 343 28.391 28.626 20.018 0.00 0.00 -ATOM 3044 H1 H2O C 343 28.251 28.373 20.975 0.00 0.00 -ATOM 3045 H2 H2O C 343 29.347 28.885 19.877 0.00 0.00 -ATOM 3046 O1 H2O C 344 2.188 19.558 20.691 0.00 0.00 -ATOM 3047 H1 H2O C 344 3.099 19.178 20.530 0.00 0.00 -ATOM 3048 H2 H2O C 344 2.269 20.522 20.945 0.00 0.00 -ATOM 3049 O1 H2O C 345 1.121 11.182 33.573 0.00 0.00 -ATOM 3050 H1 H2O C 345 0.199 10.867 33.799 0.00 0.00 -ATOM 3051 H2 H2O C 345 1.713 10.391 33.418 0.00 0.00 -ATOM 3052 O1 H2O C 346 11.256 23.755 31.127 0.00 0.00 -ATOM 3053 H1 H2O C 346 11.245 24.466 30.424 0.00 0.00 -ATOM 3054 H2 H2O C 346 10.436 23.834 31.694 0.00 0.00 -ATOM 3055 O1 H2O C 347 9.760 17.715 28.939 0.00 0.00 -ATOM 3056 H1 H2O C 347 10.606 17.972 29.407 0.00 0.00 -ATOM 3057 H2 H2O C 347 9.977 17.352 28.033 0.00 0.00 -ATOM 3058 O1 H2O C 348 26.005 24.959 24.636 0.00 0.00 -ATOM 3059 H1 H2O C 348 26.569 24.664 25.407 0.00 0.00 -ATOM 3060 H2 H2O C 348 25.531 24.169 24.247 0.00 0.00 -ATOM 3061 O1 H2O C 349 11.577 18.143 22.776 0.00 0.00 -ATOM 3062 H1 H2O C 349 11.524 19.035 22.327 0.00 0.00 -ATOM 3063 H2 H2O C 349 11.498 18.263 23.765 0.00 0.00 -ATOM 3064 O1 H2O C 350 7.706 2.777 33.615 0.00 0.00 -ATOM 3065 H1 H2O C 350 7.628 1.800 33.419 0.00 0.00 -ATOM 3066 H2 H2O C 350 7.625 2.927 34.601 0.00 0.00 -ATOM 3067 O1 H2O C 351 17.651 3.482 20.154 0.00 0.00 -ATOM 3068 H1 H2O C 351 18.053 3.196 19.283 0.00 0.00 -ATOM 3069 H2 H2O C 351 16.712 3.791 20.002 0.00 0.00 -ATOM 3070 O1 H2O C 352 12.811 23.078 26.680 0.00 0.00 -ATOM 3071 H1 H2O C 352 13.690 22.617 26.800 0.00 0.00 -ATOM 3072 H2 H2O C 352 12.963 24.057 26.551 0.00 0.00 -ATOM 3073 O1 H2O C 353 16.563 15.515 27.023 0.00 0.00 -ATOM 3074 H1 H2O C 353 17.345 15.141 27.523 0.00 0.00 -ATOM 3075 H2 H2O C 353 16.875 15.891 26.151 0.00 0.00 -ATOM 3076 O1 H2O C 354 25.040 16.765 22.356 0.00 0.00 -ATOM 3077 H1 H2O C 354 24.775 17.690 22.081 0.00 0.00 -ATOM 3078 H2 H2O C 354 26.009 16.755 22.600 0.00 0.00 -ATOM 3079 O1 H2O C 355 8.699 10.571 22.736 0.00 0.00 -ATOM 3080 H1 H2O C 355 9.489 11.138 22.966 0.00 0.00 -ATOM 3081 H2 H2O C 355 8.550 10.593 21.747 0.00 0.00 -ATOM 3082 O1 H2O C 356 4.409 6.427 23.188 0.00 0.00 -ATOM 3083 H1 H2O C 356 5.162 5.789 23.032 0.00 0.00 -ATOM 3084 H2 H2O C 356 4.065 6.317 24.121 0.00 0.00 -ATOM 3085 O1 H2O C 357 4.156 19.480 22.756 0.00 0.00 -ATOM 3086 H1 H2O C 357 3.513 20.175 22.434 0.00 0.00 -ATOM 3087 H2 H2O C 357 4.143 19.452 23.755 0.00 0.00 -ATOM 3088 O1 H2O C 358 11.771 10.844 21.335 0.00 0.00 -ATOM 3089 H1 H2O C 358 11.487 10.049 21.870 0.00 0.00 -ATOM 3090 H2 H2O C 358 12.603 10.623 20.826 0.00 0.00 -ATOM 3091 O1 H2O C 359 9.292 7.613 33.709 0.00 0.00 -ATOM 3092 H1 H2O C 359 9.598 6.668 33.825 0.00 0.00 -ATOM 3093 H2 H2O C 359 8.346 7.619 33.383 0.00 0.00 -ATOM 3094 O1 H2O C 360 27.952 11.585 22.887 0.00 0.00 -ATOM 3095 H1 H2O C 360 28.210 10.847 23.511 0.00 0.00 -ATOM 3096 H2 H2O C 360 27.015 11.875 23.084 0.00 0.00 -ATOM 3097 O1 H2O C 361 16.955 5.216 33.524 0.00 0.00 -ATOM 3098 H1 H2O C 361 16.598 6.148 33.589 0.00 0.00 -ATOM 3099 H2 H2O C 361 16.208 4.564 33.654 0.00 0.00 -ATOM 3100 O1 H2O C 362 8.986 21.831 24.121 0.00 0.00 -ATOM 3101 H1 H2O C 362 9.921 22.140 24.295 0.00 0.00 -ATOM 3102 H2 H2O C 362 8.950 21.355 23.243 0.00 0.00 -ATOM 3103 O1 H2O C 363 21.362 2.374 33.647 0.00 0.00 -ATOM 3104 H1 H2O C 363 20.755 3.167 33.609 0.00 0.00 -ATOM 3105 H2 H2O C 363 20.826 1.553 33.843 0.00 0.00 -ATOM 3106 O1 H2O C 364 22.895 7.262 25.472 0.00 0.00 -ATOM 3107 H1 H2O C 364 22.184 7.964 25.478 0.00 0.00 -ATOM 3108 H2 H2O C 364 23.227 7.130 24.538 0.00 0.00 -ATOM 3109 O1 H2O C 365 19.005 25.911 33.621 0.00 0.00 -ATOM 3110 H1 H2O C 365 18.859 25.465 32.738 0.00 0.00 -ATOM 3111 H2 H2O C 365 18.747 26.875 33.555 0.00 0.00 -ATOM 3112 O1 H2O C 366 17.963 23.216 33.347 0.00 0.00 -ATOM 3113 H1 H2O C 366 18.785 22.877 32.891 0.00 0.00 -ATOM 3114 H2 H2O C 366 18.220 23.679 34.196 0.00 0.00 -ATOM 3115 O1 H2O C 367 5.993 13.056 30.804 0.00 0.00 -ATOM 3116 H1 H2O C 367 6.469 12.200 30.602 0.00 0.00 -ATOM 3117 H2 H2O C 367 6.479 13.545 31.528 0.00 0.00 -ATOM 3118 O1 H2O C 368 10.949 28.513 22.946 0.00 0.00 -ATOM 3119 H1 H2O C 368 11.453 29.376 22.927 0.00 0.00 -ATOM 3120 H2 H2O C 368 10.298 28.524 23.705 0.00 0.00 -ATOM 3121 O1 H2O C 369 21.194 2.875 27.275 0.00 0.00 -ATOM 3122 H1 H2O C 369 20.312 2.629 26.873 0.00 0.00 -ATOM 3123 H2 H2O C 369 21.777 3.285 26.573 0.00 0.00 -ATOM 3124 O1 H2O C 370 23.914 23.527 29.733 0.00 0.00 -ATOM 3125 H1 H2O C 370 23.917 23.703 28.749 0.00 0.00 -ATOM 3126 H2 H2O C 370 24.221 22.590 29.905 0.00 0.00 -ATOM 3127 O1 H2O C 371 19.050 17.733 27.685 0.00 0.00 -ATOM 3128 H1 H2O C 371 19.460 17.185 26.956 0.00 0.00 -ATOM 3129 H2 H2O C 371 19.257 18.699 27.533 0.00 0.00 -ATOM 3130 O1 H2O C 372 4.133 23.871 29.134 0.00 0.00 -ATOM 3131 H1 H2O C 372 3.565 24.522 28.630 0.00 0.00 -ATOM 3132 H2 H2O C 372 3.641 23.558 29.946 0.00 0.00 -ATOM 3133 O1 H2O C 373 4.673 18.808 19.715 0.00 0.00 -ATOM 3134 H1 H2O C 373 5.463 18.831 20.328 0.00 0.00 -ATOM 3135 H2 H2O C 373 4.978 18.597 18.787 0.00 0.00 -ATOM 3136 O1 H2O C 374 15.607 25.104 24.724 0.00 0.00 -ATOM 3137 H1 H2O C 374 15.988 25.848 25.273 0.00 0.00 -ATOM 3138 H2 H2O C 374 15.569 24.269 25.273 0.00 0.00 -ATOM 3139 O1 H2O C 375 23.063 3.540 25.623 0.00 0.00 -ATOM 3140 H1 H2O C 375 23.038 2.604 25.269 0.00 0.00 -ATOM 3141 H2 H2O C 375 23.527 4.132 24.964 0.00 0.00 -ATOM 3142 O1 H2O C 376 27.052 23.675 19.791 0.00 0.00 -ATOM 3143 H1 H2O C 376 27.208 24.627 19.527 0.00 0.00 -ATOM 3144 H2 H2O C 376 27.918 23.176 19.763 0.00 0.00 -ATOM 3145 O1 H2O C 377 25.558 10.754 30.976 0.00 0.00 -ATOM 3146 H1 H2O C 377 25.108 10.658 30.088 0.00 0.00 -ATOM 3147 H2 H2O C 377 26.083 11.605 30.993 0.00 0.00 -ATOM 3148 O1 H2O C 378 25.442 28.661 29.161 0.00 0.00 -ATOM 3149 H1 H2O C 378 26.133 28.854 29.858 0.00 0.00 -ATOM 3150 H2 H2O C 378 24.596 28.363 29.604 0.00 0.00 -ATOM 3151 O1 H2O C 379 7.616 25.322 20.458 0.00 0.00 -ATOM 3152 H1 H2O C 379 7.365 26.113 19.900 0.00 0.00 -ATOM 3153 H2 H2O C 379 8.405 25.553 21.028 0.00 0.00 -ATOM 3154 O1 H2O C 380 11.847 11.439 27.579 0.00 0.00 -ATOM 3155 H1 H2O C 380 12.250 12.148 27.001 0.00 0.00 -ATOM 3156 H2 H2O C 380 12.444 10.637 27.589 0.00 0.00 -ATOM 3157 O1 H2O C 381 7.164 16.143 23.024 0.00 0.00 -ATOM 3158 H1 H2O C 381 8.163 16.118 23.040 0.00 0.00 -ATOM 3159 H2 H2O C 381 6.859 16.939 22.502 0.00 0.00 -ATOM 3160 O1 H2O C 382 17.623 11.684 33.440 0.00 0.00 -ATOM 3161 H1 H2O C 382 16.747 12.080 33.164 0.00 0.00 -ATOM 3162 H2 H2O C 382 18.311 12.407 33.502 0.00 0.00 -ATOM 3163 O1 H2O C 383 17.896 9.048 20.839 0.00 0.00 -ATOM 3164 H1 H2O C 383 18.804 8.745 21.126 0.00 0.00 -ATOM 3165 H2 H2O C 383 17.358 8.258 20.546 0.00 0.00 -ATOM 3166 O1 H2O C 384 3.581 6.095 25.744 0.00 0.00 -ATOM 3167 H1 H2O C 384 3.589 7.036 26.081 0.00 0.00 -ATOM 3168 H2 H2O C 384 3.829 5.473 26.487 0.00 0.00 -ATOM 3169 O1 H2O C 385 23.357 0.653 33.103 0.00 0.00 -ATOM 3170 H1 H2O C 385 23.035 -0.269 32.887 0.00 0.00 -ATOM 3171 H2 H2O C 385 22.621 1.169 33.541 0.00 0.00 -ATOM 3172 O1 H2O C 386 28.705 18.456 33.371 0.00 0.00 -ATOM 3173 H1 H2O C 386 28.456 19.174 34.021 0.00 0.00 -ATOM 3174 H2 H2O C 386 29.701 18.380 33.323 0.00 0.00 -ATOM 3175 O1 H2O C 387 5.067 2.643 31.022 0.00 0.00 -ATOM 3176 H1 H2O C 387 6.024 2.589 30.737 0.00 0.00 -ATOM 3177 H2 H2O C 387 4.966 2.236 31.930 0.00 0.00 -ATOM 3178 O1 H2O C 388 4.734 13.868 27.389 0.00 0.00 -ATOM 3179 H1 H2O C 388 4.106 14.353 26.780 0.00 0.00 -ATOM 3180 H2 H2O C 388 4.502 14.074 28.340 0.00 0.00 -ATOM 3181 O1 H2O C 389 7.938 15.556 29.727 0.00 0.00 -ATOM 3182 H1 H2O C 389 7.074 16.056 29.790 0.00 0.00 -ATOM 3183 H2 H2O C 389 8.607 16.109 29.230 0.00 0.00 -ATOM 3184 O1 H2O C 390 27.222 12.774 31.145 0.00 0.00 -ATOM 3185 H1 H2O C 390 26.930 12.792 32.101 0.00 0.00 -ATOM 3186 H2 H2O C 390 27.438 13.703 30.845 0.00 0.00 -ATOM 3187 O1 H2O C 391 28.951 8.100 31.471 0.00 0.00 -ATOM 3188 H1 H2O C 391 29.688 8.305 30.828 0.00 0.00 -ATOM 3189 H2 H2O C 391 28.159 8.676 31.266 0.00 0.00 -ATOM 3190 O1 H2O C 392 6.224 25.520 25.034 0.00 0.00 -ATOM 3191 H1 H2O C 392 7.052 25.120 24.640 0.00 0.00 -ATOM 3192 H2 H2O C 392 5.542 24.802 25.175 0.00 0.00 -ATOM 3193 O1 H2O C 393 4.135 7.139 33.466 0.00 0.00 -ATOM 3194 H1 H2O C 393 3.720 8.026 33.269 0.00 0.00 -ATOM 3195 H2 H2O C 393 3.423 6.437 33.501 0.00 0.00 -ATOM 3196 O1 H2O C 394 3.688 23.516 33.906 0.00 0.00 -ATOM 3197 H1 H2O C 394 2.972 24.088 33.507 0.00 0.00 -ATOM 3198 H2 H2O C 394 3.272 22.825 34.497 0.00 0.00 -ATOM 3199 O1 H2O C 395 11.546 24.650 20.768 0.00 0.00 -ATOM 3200 H1 H2O C 395 11.083 23.847 20.392 0.00 0.00 -ATOM 3201 H2 H2O C 395 11.343 25.448 20.201 0.00 0.00 -ATOM 3202 O1 H2O C 396 19.917 8.751 28.673 0.00 0.00 -ATOM 3203 H1 H2O C 396 20.265 9.605 28.286 0.00 0.00 -ATOM 3204 H2 H2O C 396 19.557 8.175 27.939 0.00 0.00 -ATOM 3205 O1 H2O C 397 20.010 20.692 30.470 0.00 0.00 -ATOM 3206 H1 H2O C 397 20.542 21.082 29.719 0.00 0.00 -ATOM 3207 H2 H2O C 397 19.962 21.350 31.221 0.00 0.00 -ATOM 3208 O1 H2O C 398 25.167 7.622 22.630 0.00 0.00 -ATOM 3209 H1 H2O C 398 24.743 8.527 22.660 0.00 0.00 -ATOM 3210 H2 H2O C 398 26.162 7.719 22.645 0.00 0.00 -ATOM 3211 O1 H2O C 399 8.302 27.029 26.619 0.00 0.00 -ATOM 3212 H1 H2O C 399 8.586 27.185 27.565 0.00 0.00 -ATOM 3213 H2 H2O C 399 8.329 26.049 26.421 0.00 0.00 -ATOM 3214 O1 H2O C 400 19.428 2.968 21.940 0.00 0.00 -ATOM 3215 H1 H2O C 400 18.775 3.309 21.264 0.00 0.00 -ATOM 3216 H2 H2O C 400 19.065 2.138 22.364 0.00 0.00 -ATOM 3217 O1 H2O C 401 0.943 14.129 28.390 0.00 0.00 -ATOM 3218 H1 H2O C 401 0.548 13.746 27.555 0.00 0.00 -ATOM 3219 H2 H2O C 401 1.626 14.819 28.150 0.00 0.00 -ATOM 3220 O1 H2O C 402 7.256 2.763 29.048 0.00 0.00 -ATOM 3221 H1 H2O C 402 7.356 3.004 28.083 0.00 0.00 -ATOM 3222 H2 H2O C 402 7.719 3.448 29.612 0.00 0.00 -ATOM 3223 O1 H2O C 403 22.857 12.432 30.065 0.00 0.00 -ATOM 3224 H1 H2O C 403 23.836 12.572 29.914 0.00 0.00 -ATOM 3225 H2 H2O C 403 22.654 12.521 31.040 0.00 0.00 -ATOM 3226 O1 H2O C 404 16.441 21.271 31.970 0.00 0.00 -ATOM 3227 H1 H2O C 404 15.620 21.796 31.746 0.00 0.00 -ATOM 3228 H2 H2O C 404 17.094 21.860 32.447 0.00 0.00 -ATOM 3229 O1 H2O C 405 2.966 20.051 29.616 0.00 0.00 -ATOM 3230 H1 H2O C 405 2.648 20.741 28.965 0.00 0.00 -ATOM 3231 H2 H2O C 405 3.948 19.907 29.496 0.00 0.00 -ATOM 3232 O1 H2O C 406 22.643 4.474 20.174 0.00 0.00 -ATOM 3233 H1 H2O C 406 23.169 5.313 20.037 0.00 0.00 -ATOM 3234 H2 H2O C 406 21.690 4.632 19.916 0.00 0.00 -ATOM 3235 O1 H2O C 407 4.748 4.294 33.781 0.00 0.00 -ATOM 3236 H1 H2O C 407 4.991 5.248 33.604 0.00 0.00 -ATOM 3237 H2 H2O C 407 3.753 4.205 33.820 0.00 0.00 -ATOM 3238 O1 H2O C 408 15.660 4.129 30.336 0.00 0.00 -ATOM 3239 H1 H2O C 408 15.743 5.124 30.288 0.00 0.00 -ATOM 3240 H2 H2O C 408 14.815 3.843 29.883 0.00 0.00 -ATOM 3241 O1 H2O C 409 8.820 23.382 28.920 0.00 0.00 -ATOM 3242 H1 H2O C 409 9.581 24.026 28.841 0.00 0.00 -ATOM 3243 H2 H2O C 409 8.391 23.261 28.025 0.00 0.00 -ATOM 3244 O1 H2O C 410 4.737 21.433 20.380 0.00 0.00 -ATOM 3245 H1 H2O C 410 4.680 21.599 21.365 0.00 0.00 -ATOM 3246 H2 H2O C 410 4.733 20.448 20.207 0.00 0.00 -ATOM 3247 O1 H2O C 411 15.838 24.880 33.349 0.00 0.00 -ATOM 3248 H1 H2O C 411 15.847 25.569 34.073 0.00 0.00 -ATOM 3249 H2 H2O C 411 16.606 24.252 33.476 0.00 0.00 -ATOM 3250 O1 H2O C 412 27.335 3.866 26.295 0.00 0.00 -ATOM 3251 H1 H2O C 412 27.551 4.210 25.381 0.00 0.00 -ATOM 3252 H2 H2O C 412 26.477 4.273 26.610 0.00 0.00 -ATOM 3253 O1 H2O C 413 11.603 20.520 21.739 0.00 0.00 -ATOM 3254 H1 H2O C 413 11.795 21.078 22.545 0.00 0.00 -ATOM 3255 H2 H2O C 413 11.863 21.023 20.915 0.00 0.00 -ATOM 3256 O1 H2O C 414 25.713 20.216 32.038 0.00 0.00 -ATOM 3257 H1 H2O C 414 26.317 20.613 32.728 0.00 0.00 -ATOM 3258 H2 H2O C 414 26.228 19.569 31.476 0.00 0.00 -ATOM 3259 O1 H2O C 415 -0.103 13.802 22.483 0.00 0.00 -ATOM 3260 H1 H2O C 415 -0.657 12.984 22.636 0.00 0.00 -ATOM 3261 H2 H2O C 415 0.847 13.612 22.731 0.00 0.00 -ATOM 3262 O1 H2O C 416 23.670 27.226 19.954 0.00 0.00 -ATOM 3263 H1 H2O C 416 24.013 26.490 19.370 0.00 0.00 -ATOM 3264 H2 H2O C 416 23.650 26.915 20.904 0.00 0.00 -ATOM 3265 O1 H2O C 417 2.044 18.284 33.005 0.00 0.00 -ATOM 3266 H1 H2O C 417 2.045 18.973 32.281 0.00 0.00 -ATOM 3267 H2 H2O C 417 2.860 17.713 32.924 0.00 0.00 -ATOM 3268 O1 H2O C 418 18.326 28.618 27.346 0.00 0.00 -ATOM 3269 H1 H2O C 418 19.318 28.674 27.466 0.00 0.00 -ATOM 3270 H2 H2O C 418 17.879 29.266 27.962 0.00 0.00 -ATOM 3271 O1 H2O C 419 0.644 2.578 33.456 0.00 0.00 -ATOM 3272 H1 H2O C 419 -0.332 2.770 33.349 0.00 0.00 -ATOM 3273 H2 H2O C 419 1.070 3.310 33.988 0.00 0.00 -ATOM 3274 O1 H2O C 420 22.142 29.409 20.128 0.00 0.00 -ATOM 3275 H1 H2O C 420 22.766 28.627 20.114 0.00 0.00 -ATOM 3276 H2 H2O C 420 21.602 29.389 20.969 0.00 0.00 -ATOM 3277 O1 H2O C 421 0.259 23.537 28.982 0.00 0.00 -ATOM 3278 H1 H2O C 421 -0.036 24.341 28.466 0.00 0.00 -ATOM 3279 H2 H2O C 421 0.866 23.821 29.724 0.00 0.00 -ATOM 3280 O1 H2O C 422 24.588 20.970 29.591 0.00 0.00 -ATOM 3281 H1 H2O C 422 23.998 20.221 29.289 0.00 0.00 -ATOM 3282 H2 H2O C 422 24.873 20.809 30.536 0.00 0.00 -ATOM 3283 O1 H2O C 423 28.150 25.751 28.251 0.00 0.00 -ATOM 3284 H1 H2O C 423 27.276 25.561 28.699 0.00 0.00 -ATOM 3285 H2 H2O C 423 28.575 26.551 28.674 0.00 0.00 -ATOM 3286 O1 H2O C 424 14.396 24.965 19.958 0.00 0.00 -ATOM 3287 H1 H2O C 424 13.416 24.788 20.043 0.00 0.00 -ATOM 3288 H2 H2O C 424 14.874 24.109 19.762 0.00 0.00 -ATOM 3289 O1 H2O C 425 15.878 6.798 30.541 0.00 0.00 -ATOM 3290 H1 H2O C 425 15.620 6.997 29.596 0.00 0.00 -ATOM 3291 H2 H2O C 425 16.861 6.943 30.656 0.00 0.00 -ATOM 3292 O1 H2O C 426 28.820 20.462 19.874 0.00 0.00 -ATOM 3293 H1 H2O C 426 29.577 19.855 20.116 0.00 0.00 -ATOM 3294 H2 H2O C 426 27.954 19.972 19.973 0.00 0.00 -ATOM 3295 O1 H2O C 427 13.121 28.967 20.409 0.00 0.00 -ATOM 3296 H1 H2O C 427 13.147 29.264 21.364 0.00 0.00 -ATOM 3297 H2 H2O C 427 13.820 28.267 20.259 0.00 0.00 -ATOM 3298 O1 H2O C 428 23.277 15.680 28.886 0.00 0.00 -ATOM 3299 H1 H2O C 428 23.658 14.903 28.383 0.00 0.00 -ATOM 3300 H2 H2O C 428 22.295 15.541 29.019 0.00 0.00 -ATOM 3301 O1 H2O C 429 23.693 6.674 33.468 0.00 0.00 -ATOM 3302 H1 H2O C 429 24.229 5.846 33.630 0.00 0.00 -ATOM 3303 H2 H2O C 429 24.223 7.475 33.746 0.00 0.00 -ATOM 3304 O1 H2O C 430 21.297 11.098 27.971 0.00 0.00 -ATOM 3305 H1 H2O C 430 20.612 11.797 27.766 0.00 0.00 -ATOM 3306 H2 H2O C 430 22.026 11.499 28.525 0.00 0.00 -ATOM 3307 O1 H2O C 431 6.934 16.622 32.479 0.00 0.00 -ATOM 3308 H1 H2O C 431 7.220 17.220 31.730 0.00 0.00 -ATOM 3309 H2 H2O C 431 7.677 15.990 32.702 0.00 0.00 -ATOM 3310 O1 H2O C 432 12.460 4.482 29.209 0.00 0.00 -ATOM 3311 H1 H2O C 432 11.856 4.589 30.000 0.00 0.00 -ATOM 3312 H2 H2O C 432 12.247 5.184 28.530 0.00 0.00 -ATOM 3313 O1 H2O C 433 27.821 14.250 20.093 0.00 0.00 -ATOM 3314 H1 H2O C 433 28.376 14.154 20.919 0.00 0.00 -ATOM 3315 H2 H2O C 433 28.401 14.556 19.337 0.00 0.00 -ATOM 3316 O1 H2O C 434 21.043 22.264 28.536 0.00 0.00 -ATOM 3317 H1 H2O C 434 21.856 22.296 29.119 0.00 0.00 -ATOM 3318 H2 H2O C 434 20.745 23.196 28.329 0.00 0.00 -ATOM 3319 O1 H2O C 435 23.062 29.320 25.745 0.00 0.00 -ATOM 3320 H1 H2O C 435 23.004 29.595 26.705 0.00 0.00 -ATOM 3321 H2 H2O C 435 23.354 30.100 25.192 0.00 0.00 -ATOM 3322 O1 H2O C 436 -0.089 0.542 22.752 0.00 0.00 -ATOM 3323 H1 H2O C 436 0.786 0.693 23.212 0.00 0.00 -ATOM 3324 H2 H2O C 436 -0.334 -0.426 22.812 0.00 0.00 -ATOM 3325 O1 H2O C 437 17.972 24.201 19.869 0.00 0.00 -ATOM 3326 H1 H2O C 437 18.631 24.812 19.429 0.00 0.00 -ATOM 3327 H2 H2O C 437 17.742 24.557 20.775 0.00 0.00 -ATOM 3328 O1 H2O C 438 1.265 15.679 24.173 0.00 0.00 -ATOM 3329 H1 H2O C 438 1.232 16.678 24.150 0.00 0.00 -ATOM 3330 H2 H2O C 438 1.390 15.328 23.245 0.00 0.00 -ATOM 3331 O1 H2O C 439 20.761 29.021 30.967 0.00 0.00 -ATOM 3332 H1 H2O C 439 21.241 28.660 31.767 0.00 0.00 -ATOM 3333 H2 H2O C 439 19.960 28.454 30.776 0.00 0.00 -ATOM 3334 O1 H2O C 440 17.702 24.195 28.256 0.00 0.00 -ATOM 3335 H1 H2O C 440 18.267 24.611 27.543 0.00 0.00 -ATOM 3336 H2 H2O C 440 17.793 23.200 28.216 0.00 0.00 -ATOM 3337 O1 H2O C 441 25.828 29.968 22.623 0.00 0.00 -ATOM 3338 H1 H2O C 441 25.749 29.874 21.631 0.00 0.00 -ATOM 3339 H2 H2O C 441 25.434 29.163 23.067 0.00 0.00 -ATOM 3340 O1 H2O C 442 8.839 20.151 21.955 0.00 0.00 -ATOM 3341 H1 H2O C 442 8.467 20.952 21.485 0.00 0.00 -ATOM 3342 H2 H2O C 442 9.802 20.037 21.708 0.00 0.00 -ATOM 3343 O1 H2O C 443 19.835 10.296 31.079 0.00 0.00 -ATOM 3344 H1 H2O C 443 19.008 10.836 31.230 0.00 0.00 -ATOM 3345 H2 H2O C 443 19.791 9.864 30.178 0.00 0.00 -ATOM 3346 O1 H2O C 444 26.461 25.618 22.129 0.00 0.00 -ATOM 3347 H1 H2O C 444 26.520 24.690 21.760 0.00 0.00 -ATOM 3348 H2 H2O C 444 26.173 25.579 23.086 0.00 0.00 -ATOM 3349 O1 H2O C 445 2.196 2.101 23.366 0.00 0.00 -ATOM 3350 H1 H2O C 445 2.077 2.210 22.379 0.00 0.00 -ATOM 3351 H2 H2O C 445 2.062 2.983 23.817 0.00 0.00 -ATOM 3352 O1 H2O C 446 13.903 8.051 23.902 0.00 0.00 -ATOM 3353 H1 H2O C 446 14.302 7.214 23.526 0.00 0.00 -ATOM 3354 H2 H2O C 446 14.569 8.795 23.839 0.00 0.00 -ATOM 3355 O1 H2O C 447 2.212 0.412 33.419 0.00 0.00 -ATOM 3356 H1 H2O C 447 1.553 1.162 33.481 0.00 0.00 -ATOM 3357 H2 H2O C 447 3.128 0.754 33.628 0.00 0.00 -ATOM 3358 O1 H2O C 448 19.206 17.817 33.693 0.00 0.00 -ATOM 3359 H1 H2O C 448 18.332 18.084 34.099 0.00 0.00 -ATOM 3360 H2 H2O C 448 19.047 17.438 32.781 0.00 0.00 -ATOM 3361 O1 H2O C 449 14.878 9.142 33.047 0.00 0.00 -ATOM 3362 H1 H2O C 449 15.837 8.876 33.150 0.00 0.00 -ATOM 3363 H2 H2O C 449 14.431 8.533 32.392 0.00 0.00 -ATOM 3364 O1 H2O C 450 22.336 9.296 31.112 0.00 0.00 -ATOM 3365 H1 H2O C 450 21.503 9.849 31.097 0.00 0.00 -ATOM 3366 H2 H2O C 450 22.557 9.001 30.182 0.00 0.00 -ATOM 3367 O1 H2O C 451 1.593 16.769 19.898 0.00 0.00 -ATOM 3368 H1 H2O C 451 0.623 16.738 19.659 0.00 0.00 -ATOM 3369 H2 H2O C 451 1.953 17.684 19.714 0.00 0.00 -ATOM 3370 O1 H2O C 452 18.299 27.727 30.813 0.00 0.00 -ATOM 3371 H1 H2O C 452 17.563 28.265 30.403 0.00 0.00 -ATOM 3372 H2 H2O C 452 18.130 26.754 30.653 0.00 0.00 -ATOM 3373 O1 H2O C 453 20.690 8.403 20.802 0.00 0.00 -ATOM 3374 H1 H2O C 453 20.641 9.354 20.500 0.00 0.00 -ATOM 3375 H2 H2O C 453 21.499 7.968 20.406 0.00 0.00 -ATOM 3376 O1 H2O C 454 2.089 23.512 31.105 0.00 0.00 -ATOM 3377 H1 H2O C 454 1.251 22.995 31.280 0.00 0.00 -ATOM 3378 H2 H2O C 454 2.144 24.283 31.740 0.00 0.00 -ATOM 3379 O1 H2O C 455 24.068 9.552 33.223 0.00 0.00 -ATOM 3380 H1 H2O C 455 24.997 9.788 32.939 0.00 0.00 -ATOM 3381 H2 H2O C 455 23.519 9.332 32.417 0.00 0.00 -ATOM 3382 O1 H2O C 456 20.811 18.136 30.635 0.00 0.00 -ATOM 3383 H1 H2O C 456 20.403 19.042 30.526 0.00 0.00 -ATOM 3384 H2 H2O C 456 20.138 17.512 31.032 0.00 0.00 -ATOM 3385 O1 H2O C 457 8.079 29.767 23.678 0.00 0.00 -ATOM 3386 H1 H2O C 457 8.014 29.676 24.672 0.00 0.00 -ATOM 3387 H2 H2O C 457 7.384 29.194 23.244 0.00 0.00 -ATOM 3388 O1 H2O C 458 24.882 21.933 19.942 0.00 0.00 -ATOM 3389 H1 H2O C 458 24.104 22.555 19.856 0.00 0.00 -ATOM 3390 H2 H2O C 458 25.721 22.410 19.681 0.00 0.00 -ATOM 3391 O1 H2O C 459 2.489 5.154 21.351 0.00 0.00 -ATOM 3392 H1 H2O C 459 2.942 5.676 22.075 0.00 0.00 -ATOM 3393 H2 H2O C 459 1.998 5.781 20.746 0.00 0.00 -ATOM 3394 O1 H2O C 460 18.478 0.618 23.232 0.00 0.00 -ATOM 3395 H1 H2O C 460 18.558 -0.369 23.372 0.00 0.00 -ATOM 3396 H2 H2O C 460 17.802 0.990 23.866 0.00 0.00 -ATOM 3397 O1 H2O C 461 3.484 29.931 30.365 0.00 0.00 -ATOM 3398 H1 H2O C 461 3.096 29.012 30.295 0.00 0.00 -ATOM 3399 H2 H2O C 461 4.062 29.988 31.179 0.00 0.00 -ATOM 3400 O1 H2O C 462 3.508 6.844 29.654 0.00 0.00 -ATOM 3401 H1 H2O C 462 4.487 6.999 29.525 0.00 0.00 -ATOM 3402 H2 H2O C 462 3.318 5.863 29.613 0.00 0.00 -ATOM 3403 O1 H2O C 463 8.072 18.599 30.807 0.00 0.00 -ATOM 3404 H1 H2O C 463 8.416 19.533 30.912 0.00 0.00 -ATOM 3405 H2 H2O C 463 8.494 18.177 30.004 0.00 0.00 -ATOM 3406 O1 H2O C 464 4.252 27.462 25.252 0.00 0.00 -ATOM 3407 H1 H2O C 464 5.176 27.138 25.456 0.00 0.00 -ATOM 3408 H2 H2O C 464 3.847 27.856 26.077 0.00 0.00 -ATOM 3409 O1 H2O C 465 5.277 24.740 22.217 0.00 0.00 -ATOM 3410 H1 H2O C 465 5.344 23.851 22.670 0.00 0.00 -ATOM 3411 H2 H2O C 465 6.193 25.064 21.983 0.00 0.00 -ATOM 3412 O1 H2O C 466 26.489 2.769 31.015 0.00 0.00 -ATOM 3413 H1 H2O C 466 26.347 3.716 30.726 0.00 0.00 -ATOM 3414 H2 H2O C 466 27.374 2.447 30.680 0.00 0.00 -ATOM 3415 O1 H2O C 467 3.082 23.406 19.696 0.00 0.00 -ATOM 3416 H1 H2O C 467 3.354 24.279 19.292 0.00 0.00 -ATOM 3417 H2 H2O C 467 3.872 22.795 19.734 0.00 0.00 -ATOM 3418 O1 H2O C 468 14.537 10.050 20.566 0.00 0.00 -ATOM 3419 H1 H2O C 468 14.574 9.088 20.296 0.00 0.00 -ATOM 3420 H2 H2O C 468 14.901 10.151 21.492 0.00 0.00 -ATOM 3421 O1 H2O C 469 27.325 21.963 22.138 0.00 0.00 -ATOM 3422 H1 H2O C 469 26.370 22.196 22.323 0.00 0.00 -ATOM 3423 H2 H2O C 469 27.611 22.388 21.280 0.00 0.00 -ATOM 3424 O1 H2O C 470 25.527 23.600 33.483 0.00 0.00 -ATOM 3425 H1 H2O C 470 25.736 24.450 33.966 0.00 0.00 -ATOM 3426 H2 H2O C 470 25.880 23.653 32.549 0.00 0.00 -ATOM 3427 O1 H2O C 471 1.382 20.361 25.966 0.00 0.00 -ATOM 3428 H1 H2O C 471 0.556 20.130 25.451 0.00 0.00 -ATOM 3429 H2 H2O C 471 2.100 19.696 25.760 0.00 0.00 -ATOM 3430 O1 H2O C 472 6.920 24.351 30.957 0.00 0.00 -ATOM 3431 H1 H2O C 472 6.510 25.237 30.741 0.00 0.00 -ATOM 3432 H2 H2O C 472 7.350 23.974 30.137 0.00 0.00 -ATOM 3433 O1 H2O C 473 0.449 7.641 25.699 0.00 0.00 -ATOM 3434 H1 H2O C 473 0.558 7.085 26.523 0.00 0.00 -ATOM 3435 H2 H2O C 473 0.547 7.062 24.890 0.00 0.00 -ATOM 3436 O1 H2O C 474 0.794 20.663 31.564 0.00 0.00 -ATOM 3437 H1 H2O C 474 1.545 20.453 30.938 0.00 0.00 -ATOM 3438 H2 H2O C 474 0.100 21.201 31.086 0.00 0.00 -ATOM 3439 O1 H2O C 475 25.277 20.492 23.778 0.00 0.00 -ATOM 3440 H1 H2O C 475 26.275 20.523 23.735 0.00 0.00 -ATOM 3441 H2 H2O C 475 24.987 20.414 24.732 0.00 0.00 -ATOM 3442 O1 H2O C 476 14.227 6.919 19.675 0.00 0.00 -ATOM 3443 H1 H2O C 476 13.351 7.087 20.127 0.00 0.00 -ATOM 3444 H2 H2O C 476 14.171 7.211 18.720 0.00 0.00 -ATOM 3445 O1 H2O C 477 22.109 13.931 22.896 0.00 0.00 -ATOM 3446 H1 H2O C 477 22.312 13.472 22.031 0.00 0.00 -ATOM 3447 H2 H2O C 477 21.127 14.109 22.957 0.00 0.00 -ATOM 3448 O1 H2O C 478 6.448 26.829 33.437 0.00 0.00 -ATOM 3449 H1 H2O C 478 6.580 27.092 32.481 0.00 0.00 -ATOM 3450 H2 H2O C 478 6.125 25.884 33.481 0.00 0.00 -ATOM 3451 O1 H2O C 479 20.258 11.177 20.880 0.00 0.00 -ATOM 3452 H1 H2O C 479 20.896 11.671 20.289 0.00 0.00 -ATOM 3453 H2 H2O C 479 19.326 11.492 20.702 0.00 0.00 -ATOM 3454 O1 H2O C 480 12.886 14.104 20.482 0.00 0.00 -ATOM 3455 H1 H2O C 480 13.044 15.073 20.294 0.00 0.00 -ATOM 3456 H2 H2O C 480 11.923 13.962 20.715 0.00 0.00 -ATOM 3457 O1 H2O C 481 18.588 14.188 28.528 0.00 0.00 -ATOM 3458 H1 H2O C 481 19.353 14.335 29.156 0.00 0.00 -ATOM 3459 H2 H2O C 481 18.892 13.627 27.758 0.00 0.00 -ATOM 3460 O1 H2O C 482 27.131 16.872 25.501 0.00 0.00 -ATOM 3461 H1 H2O C 482 27.132 17.861 25.652 0.00 0.00 -ATOM 3462 H2 H2O C 482 27.072 16.401 26.381 0.00 0.00 -ATOM 3463 O1 H2O C 483 26.819 16.344 32.800 0.00 0.00 -ATOM 3464 H1 H2O C 483 27.228 17.239 32.977 0.00 0.00 -ATOM 3465 H2 H2O C 483 27.273 15.653 33.361 0.00 0.00 -ATOM 3466 O1 H2O C 484 26.130 29.340 26.527 0.00 0.00 -ATOM 3467 H1 H2O C 484 26.790 30.086 26.617 0.00 0.00 -ATOM 3468 H2 H2O C 484 25.597 29.262 27.369 0.00 0.00 -ATOM 3469 O1 H2O C 485 25.257 2.785 20.743 0.00 0.00 -ATOM 3470 H1 H2O C 485 24.341 3.047 20.439 0.00 0.00 -ATOM 3471 H2 H2O C 485 25.421 1.825 20.517 0.00 0.00 -ATOM 3472 O1 H2O C 486 18.597 7.471 30.696 0.00 0.00 -ATOM 3473 H1 H2O C 486 19.363 8.086 30.509 0.00 0.00 -ATOM 3474 H2 H2O C 486 18.869 6.529 30.498 0.00 0.00 -ATOM 3475 O1 H2O C 487 8.043 9.468 20.170 0.00 0.00 -ATOM 3476 H1 H2O C 487 8.910 9.664 19.713 0.00 0.00 -ATOM 3477 H2 H2O C 487 8.070 8.546 20.556 0.00 0.00 -ATOM 3478 O1 H2O C 488 14.785 -0.255 25.574 0.00 0.00 -ATOM 3479 H1 H2O C 488 15.349 0.508 25.258 0.00 0.00 -ATOM 3480 H2 H2O C 488 13.903 0.092 25.893 0.00 0.00 -ATOM 3481 O1 H2O C 489 10.356 28.822 33.549 0.00 0.00 -ATOM 3482 H1 H2O C 489 9.930 28.063 34.042 0.00 0.00 -ATOM 3483 H2 H2O C 489 9.669 29.279 32.983 0.00 0.00 -ATOM 3484 O1 H2O C 490 12.327 1.331 26.357 0.00 0.00 -ATOM 3485 H1 H2O C 490 11.526 0.965 26.831 0.00 0.00 -ATOM 3486 H2 H2O C 490 12.038 2.030 25.704 0.00 0.00 -ATOM 3487 O1 H2O C 491 12.951 2.026 19.932 0.00 0.00 -ATOM 3488 H1 H2O C 491 13.264 1.863 18.996 0.00 0.00 -ATOM 3489 H2 H2O C 491 13.003 1.175 20.454 0.00 0.00 -ATOM 3490 O1 H2O C 492 24.291 10.265 22.921 0.00 0.00 -ATOM 3491 H1 H2O C 492 24.634 11.203 22.983 0.00 0.00 -ATOM 3492 H2 H2O C 492 23.343 10.236 23.238 0.00 0.00 -ATOM 3493 O1 H2O C 493 10.546 5.860 23.424 0.00 0.00 -ATOM 3494 H1 H2O C 493 10.501 6.631 22.789 0.00 0.00 -ATOM 3495 H2 H2O C 493 10.690 5.014 22.910 0.00 0.00 -ATOM 3496 O1 H2O C 494 4.726 14.815 23.357 0.00 0.00 -ATOM 3497 H1 H2O C 494 5.676 15.042 23.141 0.00 0.00 -ATOM 3498 H2 H2O C 494 4.133 15.573 23.084 0.00 0.00 -ATOM 3499 O1 H2O C 495 21.766 28.003 33.218 0.00 0.00 -ATOM 3500 H1 H2O C 495 22.047 28.204 34.157 0.00 0.00 -ATOM 3501 H2 H2O C 495 21.821 27.017 33.059 0.00 0.00 -ATOM 3502 O1 H2O C 496 1.725 8.828 30.008 0.00 0.00 -ATOM 3503 H1 H2O C 496 2.327 8.042 29.867 0.00 0.00 -ATOM 3504 H2 H2O C 496 1.476 9.220 29.122 0.00 0.00 -ATOM 3505 O1 H2O C 497 18.003 27.712 20.015 0.00 0.00 -ATOM 3506 H1 H2O C 497 18.285 28.589 19.626 0.00 0.00 -ATOM 3507 H2 H2O C 497 18.734 27.041 19.888 0.00 0.00 -ATOM 3508 O1 H2O C 498 15.193 16.701 33.626 0.00 0.00 -ATOM 3509 H1 H2O C 498 14.876 16.616 32.682 0.00 0.00 -ATOM 3510 H2 H2O C 498 15.632 17.590 33.752 0.00 0.00 -ATOM 3511 O1 H2O C 499 24.523 15.390 24.498 0.00 0.00 -ATOM 3512 H1 H2O C 499 25.217 15.871 25.035 0.00 0.00 -ATOM 3513 H2 H2O C 499 24.476 15.788 23.582 0.00 0.00 -ATOM 3514 O1 H2O C 500 10.841 1.864 29.989 0.00 0.00 -ATOM 3515 H1 H2O C 500 10.363 2.347 29.256 0.00 0.00 -ATOM 3516 H2 H2O C 500 11.572 1.305 29.598 0.00 0.00 -ATOM 3517 O1 H2O C 501 14.215 13.918 23.995 0.00 0.00 -ATOM 3518 H1 H2O C 501 15.175 13.635 23.993 0.00 0.00 -ATOM 3519 H2 H2O C 501 14.155 14.895 23.789 0.00 0.00 -ATOM 3520 O1 H2O C 502 10.082 3.707 27.752 0.00 0.00 -ATOM 3521 H1 H2O C 502 10.925 4.088 28.133 0.00 0.00 -ATOM 3522 H2 H2O C 502 9.638 4.391 27.173 0.00 0.00 -ATOM 3523 O1 H2O C 503 22.559 23.945 20.441 0.00 0.00 -ATOM 3524 H1 H2O C 503 21.991 23.134 20.301 0.00 0.00 -ATOM 3525 H2 H2O C 503 22.228 24.450 21.239 0.00 0.00 -ATOM 3526 O1 H2O C 504 16.925 14.887 32.733 0.00 0.00 -ATOM 3527 H1 H2O C 504 16.287 14.804 31.968 0.00 0.00 -ATOM 3528 H2 H2O C 504 16.556 15.526 33.408 0.00 0.00 -ATOM 3529 O1 H2O C 505 1.503 2.250 30.614 0.00 0.00 -ATOM 3530 H1 H2O C 505 1.382 2.379 31.598 0.00 0.00 -ATOM 3531 H2 H2O C 505 2.160 1.514 30.452 0.00 0.00 -ATOM 3532 O1 H2O C 506 14.451 4.177 20.642 0.00 0.00 -ATOM 3533 H1 H2O C 506 13.827 3.408 20.501 0.00 0.00 -ATOM 3534 H2 H2O C 506 14.316 4.852 19.917 0.00 0.00 -ATOM 3535 O1 H2O C 507 11.958 16.840 20.553 0.00 0.00 -ATOM 3536 H1 H2O C 507 11.974 17.222 21.477 0.00 0.00 -ATOM 3537 H2 H2O C 507 11.030 16.540 20.333 0.00 0.00 -ATOM 3538 O1 H2O C 508 27.409 1.473 24.570 0.00 0.00 -ATOM 3539 H1 H2O C 508 26.580 1.265 24.051 0.00 0.00 -ATOM 3540 H2 H2O C 508 28.183 0.981 24.173 0.00 0.00 -ATOM 3541 O1 H2O C 509 24.435 10.443 28.515 0.00 0.00 -ATOM 3542 H1 H2O C 509 24.603 10.520 27.533 0.00 0.00 -ATOM 3543 H2 H2O C 509 23.959 9.585 28.706 0.00 0.00 -ATOM 3544 O1 H2O C 510 18.669 2.518 26.212 0.00 0.00 -ATOM 3545 H1 H2O C 510 18.028 2.540 25.444 0.00 0.00 -ATOM 3546 H2 H2O C 510 18.373 1.830 26.874 0.00 0.00 -ATOM 3547 O1 H2O C 511 17.325 5.724 23.199 0.00 0.00 -ATOM 3548 H1 H2O C 511 16.973 5.932 24.112 0.00 0.00 -ATOM 3549 H2 H2O C 511 18.123 5.127 23.278 0.00 0.00 -ATOM 3550 O1 H2O C 512 5.063 1.242 28.094 0.00 0.00 -ATOM 3551 H1 H2O C 512 4.500 1.138 28.914 0.00 0.00 -ATOM 3552 H2 H2O C 512 5.955 1.617 28.348 0.00 0.00 -ATOM 3553 O1 H2O C 513 3.668 10.698 28.177 0.00 0.00 -ATOM 3554 H1 H2O C 513 2.849 11.167 28.506 0.00 0.00 -ATOM 3555 H2 H2O C 513 4.224 11.334 27.641 0.00 0.00 -ATOM 3556 O1 H2O C 514 8.055 17.810 25.789 0.00 0.00 -ATOM 3557 H1 H2O C 514 7.734 18.131 24.898 0.00 0.00 -ATOM 3558 H2 H2O C 514 7.868 16.832 25.879 0.00 0.00 -ATOM 3559 O1 H2O C 515 27.877 11.375 19.763 0.00 0.00 -ATOM 3560 H1 H2O C 515 27.541 12.311 19.659 0.00 0.00 -ATOM 3561 H2 H2O C 515 27.967 11.158 20.735 0.00 0.00 -ATOM 3562 O1 H2O C 516 6.010 24.278 33.519 0.00 0.00 -ATOM 3563 H1 H2O C 516 6.141 24.232 32.529 0.00 0.00 -ATOM 3564 H2 H2O C 516 5.053 24.089 33.738 0.00 0.00 -ATOM 3565 O1 H2O C 517 3.632 27.615 33.217 0.00 0.00 -ATOM 3566 H1 H2O C 517 4.183 27.352 34.009 0.00 0.00 -ATOM 3567 H2 H2O C 517 3.267 28.535 33.357 0.00 0.00 -ATOM 3568 O1 H2O C 518 10.321 9.377 25.206 0.00 0.00 -ATOM 3569 H1 H2O C 518 9.865 10.130 25.679 0.00 0.00 -ATOM 3570 H2 H2O C 518 11.161 9.137 25.693 0.00 0.00 -ATOM 3571 O1 H2O C 519 9.541 5.390 25.706 0.00 0.00 -ATOM 3572 H1 H2O C 519 10.054 5.481 24.853 0.00 0.00 -ATOM 3573 H2 H2O C 519 8.632 5.791 25.593 0.00 0.00 -ATOM 3574 O1 H2O C 520 10.817 25.261 28.890 0.00 0.00 -ATOM 3575 H1 H2O C 520 11.443 25.561 28.170 0.00 0.00 -ATOM 3576 H2 H2O C 520 10.250 26.031 29.181 0.00 0.00 -ATOM 3577 O1 H2O C 521 27.400 15.385 27.900 0.00 0.00 -ATOM 3578 H1 H2O C 521 27.980 15.413 28.714 0.00 0.00 -ATOM 3579 H2 H2O C 521 27.163 14.435 27.692 0.00 0.00 -ATOM 3580 O1 H2O C 522 27.979 4.798 32.641 0.00 0.00 -ATOM 3581 H1 H2O C 522 28.386 5.530 33.188 0.00 0.00 -ATOM 3582 H2 H2O C 522 27.020 4.681 32.900 0.00 0.00 -ATOM 3583 O1 H2O C 523 24.322 5.123 23.588 0.00 0.00 -ATOM 3584 H1 H2O C 523 25.035 4.754 22.992 0.00 0.00 -ATOM 3585 H2 H2O C 523 23.891 5.910 23.146 0.00 0.00 -ATOM 3586 O1 H2O C 524 4.866 1.293 33.672 0.00 0.00 -ATOM 3587 H1 H2O C 524 5.718 0.829 33.916 0.00 0.00 -ATOM 3588 H2 H2O C 524 5.033 2.276 33.595 0.00 0.00 -ATOM 3589 O1 H2O C 525 19.902 5.897 20.004 0.00 0.00 -ATOM 3590 H1 H2O C 525 18.903 5.904 20.032 0.00 0.00 -ATOM 3591 H2 H2O C 525 20.249 6.798 20.265 0.00 0.00 -ATOM 3592 O1 H2O C 526 27.487 29.134 31.245 0.00 0.00 -ATOM 3593 H1 H2O C 526 26.778 29.262 31.939 0.00 0.00 -ATOM 3594 H2 H2O C 526 27.896 30.019 31.020 0.00 0.00 -ATOM 3595 O1 H2O C 527 10.469 12.637 19.607 0.00 0.00 -ATOM 3596 H1 H2O C 527 10.855 12.018 20.291 0.00 0.00 -ATOM 3597 H2 H2O C 527 10.028 12.103 18.885 0.00 0.00 -ATOM 3598 O1 H2O C 528 1.198 25.968 25.779 0.00 0.00 -ATOM 3599 H1 H2O C 528 1.849 26.000 25.021 0.00 0.00 -ATOM 3600 H2 H2O C 528 0.328 26.365 25.488 0.00 0.00 -ATOM 3601 O1 H2O C 529 25.622 29.666 19.705 0.00 0.00 -ATOM 3602 H1 H2O C 529 26.559 29.331 19.601 0.00 0.00 -ATOM 3603 H2 H2O C 529 24.983 28.903 19.609 0.00 0.00 -ATOM 3604 O1 H2O C 530 14.618 17.330 20.204 0.00 0.00 -ATOM 3605 H1 H2O C 530 14.836 18.131 20.762 0.00 0.00 -ATOM 3606 H2 H2O C 530 13.626 17.213 20.162 0.00 0.00 -ATOM 3607 O1 H2O C 531 10.722 25.900 23.136 0.00 0.00 -ATOM 3608 H1 H2O C 531 10.921 26.879 23.096 0.00 0.00 -ATOM 3609 H2 H2O C 531 11.234 25.426 22.420 0.00 0.00 -ATOM 3610 O1 H2O C 532 29.521 1.441 20.185 0.00 0.00 -ATOM 3611 H1 H2O C 532 28.813 1.048 19.598 0.00 0.00 -ATOM 3612 H2 H2O C 532 29.466 1.029 21.095 0.00 0.00 -ATOM 3613 O1 H2O C 533 14.737 12.892 30.846 0.00 0.00 -ATOM 3614 H1 H2O C 533 14.810 12.695 31.824 0.00 0.00 -ATOM 3615 H2 H2O C 533 13.787 12.778 30.553 0.00 0.00 -ATOM 3616 O1 H2O C 534 0.476 28.202 32.659 0.00 0.00 -ATOM 3617 H1 H2O C 534 1.123 28.906 32.952 0.00 0.00 -ATOM 3618 H2 H2O C 534 -0.303 28.634 32.203 0.00 0.00 -ATOM 3619 O1 H2O C 535 4.087 25.940 20.053 0.00 0.00 -ATOM 3620 H1 H2O C 535 4.851 26.584 20.012 0.00 0.00 -ATOM 3621 H2 H2O C 535 4.256 25.267 20.773 0.00 0.00 -ATOM 3622 O1 h2o D 1 4.785 15.250 20.417 0.00 0.00 -ATOM 3623 H1 h2o D 1 4.407 15.957 19.819 0.00 0.00 -ATOM 3624 H2 h2o D 1 5.123 15.672 21.258 0.00 0.00 -ATOM 3625 O1 h2o D 2 9.008 9.314 28.241 0.00 0.00 -ATOM 3626 H1 h2o D 2 8.399 9.794 28.873 0.00 0.00 -ATOM 3627 H2 h2o D 2 9.005 9.780 27.356 0.00 0.00 -ATOM 3628 O1 h2o D 3 7.124 19.552 24.107 0.00 0.00 -ATOM 3629 H1 h2o D 3 7.547 20.285 24.640 0.00 0.00 -ATOM 3630 H2 h2o D 3 7.461 19.587 23.166 0.00 0.00 -ATOM 3631 O1 h2o D 4 1.179 0.027 28.075 0.00 0.00 -ATOM 3632 H1 h2o D 4 1.033 0.943 28.449 0.00 0.00 -ATOM 3633 H2 h2o D 4 0.751 -0.037 27.174 0.00 0.00 -ATOM 3634 O1 h2o D 5 14.226 27.068 33.684 0.00 0.00 -ATOM 3635 H1 h2o D 5 13.497 27.615 34.097 0.00 0.00 -ATOM 3636 H2 h2o D 5 14.748 27.635 33.047 0.00 0.00 -END diff --git a/simulations/NVT/3x3x2.0nm_3-layer/gomc/Output_data_merged.psf b/simulations/NVT/3x3x2.0nm_3-layer/gomc/Output_data_merged.psf deleted file mode 100644 index a9df224..0000000 --- a/simulations/NVT/3x3x2.0nm_3-layer/gomc/Output_data_merged.psf +++ /dev/null @@ -1,4103 +0,0 @@ -PSF - - 2 !NTITLE - REMARKS Combined PSF produced by GOMC - REMARKS Contains Geometry data for molecules in ALL boxes in the system - - 3636 !NATOM - 1 TOP 1 TOP C1 2 0.000000 12.0108 0 - 2 TOP 1 TOP C2 2 0.000000 12.0108 0 - 3 TOP 1 TOP C3 2 0.000000 12.0108 0 - 4 TOP 1 TOP C4 2 0.000000 12.0108 0 - 5 TOP 1 TOP C5 2 0.000000 12.0108 0 - 6 TOP 1 TOP C6 2 0.000000 12.0108 0 - 7 TOP 1 TOP C7 2 0.000000 12.0108 0 - 8 TOP 1 TOP C8 2 0.000000 12.0108 0 - 9 TOP 1 TOP C9 2 0.000000 12.0108 0 - 10 TOP 1 TOP CA 2 0.000000 12.0108 0 - 11 TOP 1 TOP CB 2 0.000000 12.0108 0 - 12 TOP 1 TOP CC 2 0.000000 12.0108 0 - 13 TOP 1 TOP CD 2 0.000000 12.0108 0 - 14 TOP 1 TOP CE 2 0.000000 12.0108 0 - 15 TOP 1 TOP CF 2 0.000000 12.0108 0 - 16 TOP 1 TOP CG 2 0.000000 12.0108 0 - 17 TOP 1 TOP CH 2 0.000000 12.0108 0 - 18 TOP 1 TOP CI 2 0.000000 12.0108 0 - 19 TOP 1 TOP CJ 2 0.000000 12.0108 0 - 20 TOP 1 TOP CK 2 0.000000 12.0108 0 - 21 TOP 1 TOP CL 2 0.000000 12.0108 0 - 22 TOP 1 TOP CM 2 0.000000 12.0108 0 - 23 TOP 1 TOP CN 2 0.000000 12.0108 0 - 24 TOP 1 TOP CO 2 0.000000 12.0108 0 - 25 TOP 1 TOP CP 2 0.000000 12.0108 0 - 26 TOP 1 TOP CQ 2 0.000000 12.0108 0 - 27 TOP 1 TOP CR 2 0.000000 12.0108 0 - 28 TOP 1 TOP CS 2 0.000000 12.0108 0 - 29 TOP 1 TOP CT 2 0.000000 12.0108 0 - 30 TOP 1 TOP CU 2 0.000000 12.0108 0 - 31 TOP 1 TOP CV 2 0.000000 12.0108 0 - 32 TOP 1 TOP CW 2 0.000000 12.0108 0 - 33 TOP 1 TOP CX 2 0.000000 12.0108 0 - 34 TOP 1 TOP CY 2 0.000000 12.0108 0 - 35 TOP 1 TOP CZ 2 0.000000 12.0108 0 - 36 TOP 1 TOP Ca 2 0.000000 12.0108 0 - 37 TOP 1 TOP Cb 2 0.000000 12.0108 0 - 38 TOP 1 TOP Cc 2 0.000000 12.0108 0 - 39 TOP 1 TOP Cd 2 0.000000 12.0108 0 - 40 TOP 1 TOP Ce 2 0.000000 12.0108 0 - 41 TOP 1 TOP Cf 2 0.000000 12.0108 0 - 42 TOP 1 TOP Cg 2 0.000000 12.0108 0 - 43 TOP 1 TOP Ch 2 0.000000 12.0108 0 - 44 TOP 1 TOP Ci 2 0.000000 12.0108 0 - 45 TOP 1 TOP Cj 2 0.000000 12.0108 0 - 46 TOP 1 TOP Ck 2 0.000000 12.0108 0 - 47 TOP 1 TOP Cl 2 0.000000 12.0108 0 - 48 TOP 1 TOP Cm 2 0.000000 12.0108 0 - 49 TOP 1 TOP Cn 2 0.000000 12.0108 0 - 50 TOP 1 TOP Co 2 0.000000 12.0108 0 - 51 TOP 1 TOP Cp 2 0.000000 12.0108 0 - 52 TOP 1 TOP Cq 2 0.000000 12.0108 0 - 53 TOP 1 TOP Cr 2 0.000000 12.0108 0 - 54 TOP 1 TOP Cs 2 0.000000 12.0108 0 - 55 TOP 1 TOP Ct 2 0.000000 12.0108 0 - 56 TOP 1 TOP Cu 2 0.000000 12.0108 0 - 57 TOP 1 TOP Cv 2 0.000000 12.0108 0 - 58 TOP 1 TOP Cw 2 0.000000 12.0108 0 - 59 TOP 1 TOP Cx 2 0.000000 12.0108 0 - 60 TOP 1 TOP Cy 2 0.000000 12.0108 0 - 61 TOP 1 TOP Cz 2 0.000000 12.0108 0 - 62 TOP 1 TOP C10 2 0.000000 12.0108 0 - 63 TOP 1 TOP C11 2 0.000000 12.0108 0 - 64 TOP 1 TOP C12 2 0.000000 12.0108 0 - 65 TOP 1 TOP C13 2 0.000000 12.0108 0 - 66 TOP 1 TOP C14 2 0.000000 12.0108 0 - 67 TOP 1 TOP C15 2 0.000000 12.0108 0 - 68 TOP 1 TOP C16 2 0.000000 12.0108 0 - 69 TOP 1 TOP C17 2 0.000000 12.0108 0 - 70 TOP 1 TOP C18 2 0.000000 12.0108 0 - 71 TOP 1 TOP C19 2 0.000000 12.0108 0 - 72 TOP 1 TOP C1A 2 0.000000 12.0108 0 - 73 TOP 1 TOP C1B 2 0.000000 12.0108 0 - 74 TOP 1 TOP C1C 2 0.000000 12.0108 0 - 75 TOP 1 TOP C1D 2 0.000000 12.0108 0 - 76 TOP 1 TOP C1E 2 0.000000 12.0108 0 - 77 TOP 1 TOP C1F 2 0.000000 12.0108 0 - 78 TOP 1 TOP C1G 2 0.000000 12.0108 0 - 79 TOP 1 TOP C1H 2 0.000000 12.0108 0 - 80 TOP 1 TOP C1I 2 0.000000 12.0108 0 - 81 TOP 1 TOP C1J 2 0.000000 12.0108 0 - 82 TOP 1 TOP C1K 2 0.000000 12.0108 0 - 83 TOP 1 TOP C1L 2 0.000000 12.0108 0 - 84 TOP 1 TOP C1M 2 0.000000 12.0108 0 - 85 TOP 1 TOP C1N 2 0.000000 12.0108 0 - 86 TOP 1 TOP C1O 2 0.000000 12.0108 0 - 87 TOP 1 TOP C1P 2 0.000000 12.0108 0 - 88 TOP 1 TOP C1Q 2 0.000000 12.0108 0 - 89 TOP 1 TOP C1R 2 0.000000 12.0108 0 - 90 TOP 1 TOP C1S 2 0.000000 12.0108 0 - 91 TOP 1 TOP C1T 2 0.000000 12.0108 0 - 92 TOP 1 TOP C1U 2 0.000000 12.0108 0 - 93 TOP 1 TOP C1V 2 0.000000 12.0108 0 - 94 TOP 1 TOP C1W 2 0.000000 12.0108 0 - 95 TOP 1 TOP C1X 2 0.000000 12.0108 0 - 96 TOP 1 TOP C1Y 2 0.000000 12.0108 0 - 97 TOP 1 TOP C1Z 2 0.000000 12.0108 0 - 98 TOP 1 TOP C1a 2 0.000000 12.0108 0 - 99 TOP 1 TOP C1b 2 0.000000 12.0108 0 - 100 TOP 1 TOP C1c 2 0.000000 12.0108 0 - 101 TOP 1 TOP C1d 2 0.000000 12.0108 0 - 102 TOP 1 TOP C1e 2 0.000000 12.0108 0 - 103 TOP 1 TOP C1f 2 0.000000 12.0108 0 - 104 TOP 1 TOP C1g 2 0.000000 12.0108 0 - 105 TOP 1 TOP C1h 2 0.000000 12.0108 0 - 106 TOP 1 TOP C1i 2 0.000000 12.0108 0 - 107 TOP 1 TOP C1j 2 0.000000 12.0108 0 - 108 TOP 1 TOP C1k 2 0.000000 12.0108 0 - 109 TOP 1 TOP C1l 2 0.000000 12.0108 0 - 110 TOP 1 TOP C1m 2 0.000000 12.0108 0 - 111 TOP 1 TOP C1n 2 0.000000 12.0108 0 - 112 TOP 1 TOP C1o 2 0.000000 12.0108 0 - 113 TOP 1 TOP C1p 2 0.000000 12.0108 0 - 114 TOP 1 TOP C1q 2 0.000000 12.0108 0 - 115 TOP 1 TOP C1r 2 0.000000 12.0108 0 - 116 TOP 1 TOP C1s 2 0.000000 12.0108 0 - 117 TOP 1 TOP C1t 2 0.000000 12.0108 0 - 118 TOP 1 TOP C1u 2 0.000000 12.0108 0 - 119 TOP 1 TOP C1v 2 0.000000 12.0108 0 - 120 TOP 1 TOP C1w 2 0.000000 12.0108 0 - 121 TOP 1 TOP C1x 2 0.000000 12.0108 0 - 122 TOP 1 TOP C1y 2 0.000000 12.0108 0 - 123 TOP 1 TOP C1z 2 0.000000 12.0108 0 - 124 TOP 1 TOP C20 2 0.000000 12.0108 0 - 125 TOP 1 TOP C21 2 0.000000 12.0108 0 - 126 TOP 1 TOP C22 2 0.000000 12.0108 0 - 127 TOP 1 TOP C23 2 0.000000 12.0108 0 - 128 TOP 1 TOP C24 2 0.000000 12.0108 0 - 129 TOP 1 TOP C25 2 0.000000 12.0108 0 - 130 TOP 1 TOP C26 2 0.000000 12.0108 0 - 131 TOP 1 TOP C27 2 0.000000 12.0108 0 - 132 TOP 1 TOP C28 2 0.000000 12.0108 0 - 133 TOP 1 TOP C29 2 0.000000 12.0108 0 - 134 TOP 1 TOP C2A 2 0.000000 12.0108 0 - 135 TOP 1 TOP C2B 2 0.000000 12.0108 0 - 136 TOP 1 TOP C2C 2 0.000000 12.0108 0 - 137 TOP 1 TOP C2D 2 0.000000 12.0108 0 - 138 TOP 1 TOP C2E 2 0.000000 12.0108 0 - 139 TOP 1 TOP C2F 2 0.000000 12.0108 0 - 140 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8 H2O H1 4 0.423800 1.0079 0 - 2040 H2O 8 H2O H2 4 0.423800 1.0079 0 - 2041 H2O 9 H2O O1 6 -0.847600 15.9994 0 - 2042 H2O 9 H2O H1 4 0.423800 1.0079 0 - 2043 H2O 9 H2O H2 4 0.423800 1.0079 0 - 2044 H2O 10 H2O O1 6 -0.847600 15.9994 0 - 2045 H2O 10 H2O H1 4 0.423800 1.0079 0 - 2046 H2O 10 H2O H2 4 0.423800 1.0079 0 - 2047 H2O 11 H2O O1 6 -0.847600 15.9994 0 - 2048 H2O 11 H2O H1 4 0.423800 1.0079 0 - 2049 H2O 11 H2O H2 4 0.423800 1.0079 0 - 2050 H2O 12 H2O O1 6 -0.847600 15.9994 0 - 2051 H2O 12 H2O H1 4 0.423800 1.0079 0 - 2052 H2O 12 H2O H2 4 0.423800 1.0079 0 - 2053 H2O 13 H2O O1 6 -0.847600 15.9994 0 - 2054 H2O 13 H2O H1 4 0.423800 1.0079 0 - 2055 H2O 13 H2O H2 4 0.423800 1.0079 0 - 2056 H2O 14 H2O O1 6 -0.847600 15.9994 0 - 2057 H2O 14 H2O H1 4 0.423800 1.0079 0 - 2058 H2O 14 H2O H2 4 0.423800 1.0079 0 - 2059 H2O 15 H2O O1 6 -0.847600 15.9994 0 - 2060 H2O 15 H2O H1 4 0.423800 1.0079 0 - 2061 H2O 15 H2O H2 4 0.423800 1.0079 0 - 2062 H2O 16 H2O O1 6 -0.847600 15.9994 0 - 2063 H2O 16 H2O H1 4 0.423800 1.0079 0 - 2064 H2O 16 H2O H2 4 0.423800 1.0079 0 - 2065 H2O 17 H2O O1 6 -0.847600 15.9994 0 - 2066 H2O 17 H2O H1 4 0.423800 1.0079 0 - 2067 H2O 17 H2O H2 4 0.423800 1.0079 0 - 2068 H2O 18 H2O O1 6 -0.847600 15.9994 0 - 2069 H2O 18 H2O H1 4 0.423800 1.0079 0 - 2070 H2O 18 H2O H2 4 0.423800 1.0079 0 - 2071 H2O 19 H2O O1 6 -0.847600 15.9994 0 - 2072 H2O 19 H2O H1 4 0.423800 1.0079 0 - 2073 H2O 19 H2O H2 4 0.423800 1.0079 0 - 2074 H2O 20 H2O O1 6 -0.847600 15.9994 0 - 2075 H2O 20 H2O H1 4 0.423800 1.0079 0 - 2076 H2O 20 H2O H2 4 0.423800 1.0079 0 - 2077 H2O 21 H2O O1 6 -0.847600 15.9994 0 - 2078 H2O 21 H2O H1 4 0.423800 1.0079 0 - 2079 H2O 21 H2O H2 4 0.423800 1.0079 0 - 2080 H2O 22 H2O O1 6 -0.847600 15.9994 0 - 2081 H2O 22 H2O H1 4 0.423800 1.0079 0 - 2082 H2O 22 H2O H2 4 0.423800 1.0079 0 - 2083 H2O 23 H2O O1 6 -0.847600 15.9994 0 - 2084 H2O 23 H2O H1 4 0.423800 1.0079 0 - 2085 H2O 23 H2O H2 4 0.423800 1.0079 0 - 2086 H2O 24 H2O O1 6 -0.847600 15.9994 0 - 2087 H2O 24 H2O H1 4 0.423800 1.0079 0 - 2088 H2O 24 H2O H2 4 0.423800 1.0079 0 - 2089 H2O 25 H2O O1 6 -0.847600 15.9994 0 - 2090 H2O 25 H2O H1 4 0.423800 1.0079 0 - 2091 H2O 25 H2O H2 4 0.423800 1.0079 0 - 2092 H2O 26 H2O O1 6 -0.847600 15.9994 0 - 2093 H2O 26 H2O H1 4 0.423800 1.0079 0 - 2094 H2O 26 H2O H2 4 0.423800 1.0079 0 - 2095 H2O 27 H2O O1 6 -0.847600 15.9994 0 - 2096 H2O 27 H2O H1 4 0.423800 1.0079 0 - 2097 H2O 27 H2O H2 4 0.423800 1.0079 0 - 2098 H2O 28 H2O O1 6 -0.847600 15.9994 0 - 2099 H2O 28 H2O H1 4 0.423800 1.0079 0 - 2100 H2O 28 H2O H2 4 0.423800 1.0079 0 - 2101 H2O 29 H2O O1 6 -0.847600 15.9994 0 - 2102 H2O 29 H2O H1 4 0.423800 1.0079 0 - 2103 H2O 29 H2O H2 4 0.423800 1.0079 0 - 2104 H2O 30 H2O O1 6 -0.847600 15.9994 0 - 2105 H2O 30 H2O H1 4 0.423800 1.0079 0 - 2106 H2O 30 H2O H2 4 0.423800 1.0079 0 - 2107 H2O 31 H2O O1 6 -0.847600 15.9994 0 - 2108 H2O 31 H2O H1 4 0.423800 1.0079 0 - 2109 H2O 31 H2O H2 4 0.423800 1.0079 0 - 2110 H2O 32 H2O O1 6 -0.847600 15.9994 0 - 2111 H2O 32 H2O H1 4 0.423800 1.0079 0 - 2112 H2O 32 H2O H2 4 0.423800 1.0079 0 - 2113 H2O 33 H2O O1 6 -0.847600 15.9994 0 - 2114 H2O 33 H2O H1 4 0.423800 1.0079 0 - 2115 H2O 33 H2O H2 4 0.423800 1.0079 0 - 2116 H2O 34 H2O O1 6 -0.847600 15.9994 0 - 2117 H2O 34 H2O H1 4 0.423800 1.0079 0 - 2118 H2O 34 H2O H2 4 0.423800 1.0079 0 - 2119 H2O 35 H2O O1 6 -0.847600 15.9994 0 - 2120 H2O 35 H2O H1 4 0.423800 1.0079 0 - 2121 H2O 35 H2O H2 4 0.423800 1.0079 0 - 2122 H2O 36 H2O O1 6 -0.847600 15.9994 0 - 2123 H2O 36 H2O H1 4 0.423800 1.0079 0 - 2124 H2O 36 H2O H2 4 0.423800 1.0079 0 - 2125 H2O 37 H2O O1 6 -0.847600 15.9994 0 - 2126 H2O 37 H2O H1 4 0.423800 1.0079 0 - 2127 H2O 37 H2O H2 4 0.423800 1.0079 0 - 2128 H2O 38 H2O O1 6 -0.847600 15.9994 0 - 2129 H2O 38 H2O H1 4 0.423800 1.0079 0 - 2130 H2O 38 H2O H2 4 0.423800 1.0079 0 - 2131 H2O 39 H2O O1 6 -0.847600 15.9994 0 - 2132 H2O 39 H2O H1 4 0.423800 1.0079 0 - 2133 H2O 39 H2O H2 4 0.423800 1.0079 0 - 2134 H2O 40 H2O O1 6 -0.847600 15.9994 0 - 2135 H2O 40 H2O H1 4 0.423800 1.0079 0 - 2136 H2O 40 H2O H2 4 0.423800 1.0079 0 - 2137 H2O 41 H2O O1 6 -0.847600 15.9994 0 - 2138 H2O 41 H2O H1 4 0.423800 1.0079 0 - 2139 H2O 41 H2O H2 4 0.423800 1.0079 0 - 2140 H2O 42 H2O O1 6 -0.847600 15.9994 0 - 2141 H2O 42 H2O H1 4 0.423800 1.0079 0 - 2142 H2O 42 H2O H2 4 0.423800 1.0079 0 - 2143 H2O 43 H2O O1 6 -0.847600 15.9994 0 - 2144 H2O 43 H2O H1 4 0.423800 1.0079 0 - 2145 H2O 43 H2O H2 4 0.423800 1.0079 0 - 2146 H2O 44 H2O O1 6 -0.847600 15.9994 0 - 2147 H2O 44 H2O H1 4 0.423800 1.0079 0 - 2148 H2O 44 H2O H2 4 0.423800 1.0079 0 - 2149 H2O 45 H2O O1 6 -0.847600 15.9994 0 - 2150 H2O 45 H2O H1 4 0.423800 1.0079 0 - 2151 H2O 45 H2O H2 4 0.423800 1.0079 0 - 2152 H2O 46 H2O O1 6 -0.847600 15.9994 0 - 2153 H2O 46 H2O H1 4 0.423800 1.0079 0 - 2154 H2O 46 H2O H2 4 0.423800 1.0079 0 - 2155 H2O 47 H2O O1 6 -0.847600 15.9994 0 - 2156 H2O 47 H2O H1 4 0.423800 1.0079 0 - 2157 H2O 47 H2O H2 4 0.423800 1.0079 0 - 2158 H2O 48 H2O O1 6 -0.847600 15.9994 0 - 2159 H2O 48 H2O H1 4 0.423800 1.0079 0 - 2160 H2O 48 H2O H2 4 0.423800 1.0079 0 - 2161 H2O 49 H2O O1 6 -0.847600 15.9994 0 - 2162 H2O 49 H2O H1 4 0.423800 1.0079 0 - 2163 H2O 49 H2O H2 4 0.423800 1.0079 0 - 2164 H2O 50 H2O O1 6 -0.847600 15.9994 0 - 2165 H2O 50 H2O H1 4 0.423800 1.0079 0 - 2166 H2O 50 H2O H2 4 0.423800 1.0079 0 - 2167 H2O 51 H2O O1 6 -0.847600 15.9994 0 - 2168 H2O 51 H2O H1 4 0.423800 1.0079 0 - 2169 H2O 51 H2O H2 4 0.423800 1.0079 0 - 2170 H2O 52 H2O O1 6 -0.847600 15.9994 0 - 2171 H2O 52 H2O H1 4 0.423800 1.0079 0 - 2172 H2O 52 H2O H2 4 0.423800 1.0079 0 - 2173 H2O 53 H2O O1 6 -0.847600 15.9994 0 - 2174 H2O 53 H2O H1 4 0.423800 1.0079 0 - 2175 H2O 53 H2O H2 4 0.423800 1.0079 0 - 2176 H2O 54 H2O O1 6 -0.847600 15.9994 0 - 2177 H2O 54 H2O H1 4 0.423800 1.0079 0 - 2178 H2O 54 H2O H2 4 0.423800 1.0079 0 - 2179 H2O 55 H2O O1 6 -0.847600 15.9994 0 - 2180 H2O 55 H2O H1 4 0.423800 1.0079 0 - 2181 H2O 55 H2O H2 4 0.423800 1.0079 0 - 2182 H2O 56 H2O O1 6 -0.847600 15.9994 0 - 2183 H2O 56 H2O H1 4 0.423800 1.0079 0 - 2184 H2O 56 H2O H2 4 0.423800 1.0079 0 - 2185 H2O 57 H2O O1 6 -0.847600 15.9994 0 - 2186 H2O 57 H2O H1 4 0.423800 1.0079 0 - 2187 H2O 57 H2O H2 4 0.423800 1.0079 0 - 2188 H2O 58 H2O O1 6 -0.847600 15.9994 0 - 2189 H2O 58 H2O H1 4 0.423800 1.0079 0 - 2190 H2O 58 H2O H2 4 0.423800 1.0079 0 - 2191 H2O 59 H2O O1 6 -0.847600 15.9994 0 - 2192 H2O 59 H2O H1 4 0.423800 1.0079 0 - 2193 H2O 59 H2O H2 4 0.423800 1.0079 0 - 2194 H2O 60 H2O O1 6 -0.847600 15.9994 0 - 2195 H2O 60 H2O H1 4 0.423800 1.0079 0 - 2196 H2O 60 H2O H2 4 0.423800 1.0079 0 - 2197 H2O 61 H2O O1 6 -0.847600 15.9994 0 - 2198 H2O 61 H2O H1 4 0.423800 1.0079 0 - 2199 H2O 61 H2O H2 4 0.423800 1.0079 0 - 2200 H2O 62 H2O O1 6 -0.847600 15.9994 0 - 2201 H2O 62 H2O H1 4 0.423800 1.0079 0 - 2202 H2O 62 H2O H2 4 0.423800 1.0079 0 - 2203 H2O 63 H2O O1 6 -0.847600 15.9994 0 - 2204 H2O 63 H2O H1 4 0.423800 1.0079 0 - 2205 H2O 63 H2O H2 4 0.423800 1.0079 0 - 2206 H2O 64 H2O O1 6 -0.847600 15.9994 0 - 2207 H2O 64 H2O H1 4 0.423800 1.0079 0 - 2208 H2O 64 H2O H2 4 0.423800 1.0079 0 - 2209 H2O 65 H2O O1 6 -0.847600 15.9994 0 - 2210 H2O 65 H2O H1 4 0.423800 1.0079 0 - 2211 H2O 65 H2O H2 4 0.423800 1.0079 0 - 2212 H2O 66 H2O O1 6 -0.847600 15.9994 0 - 2213 H2O 66 H2O H1 4 0.423800 1.0079 0 - 2214 H2O 66 H2O H2 4 0.423800 1.0079 0 - 2215 H2O 67 H2O O1 6 -0.847600 15.9994 0 - 2216 H2O 67 H2O H1 4 0.423800 1.0079 0 - 2217 H2O 67 H2O H2 4 0.423800 1.0079 0 - 2218 H2O 68 H2O O1 6 -0.847600 15.9994 0 - 2219 H2O 68 H2O H1 4 0.423800 1.0079 0 - 2220 H2O 68 H2O H2 4 0.423800 1.0079 0 - 2221 H2O 69 H2O O1 6 -0.847600 15.9994 0 - 2222 H2O 69 H2O H1 4 0.423800 1.0079 0 - 2223 H2O 69 H2O H2 4 0.423800 1.0079 0 - 2224 H2O 70 H2O O1 6 -0.847600 15.9994 0 - 2225 H2O 70 H2O H1 4 0.423800 1.0079 0 - 2226 H2O 70 H2O H2 4 0.423800 1.0079 0 - 2227 H2O 71 H2O O1 6 -0.847600 15.9994 0 - 2228 H2O 71 H2O H1 4 0.423800 1.0079 0 - 2229 H2O 71 H2O H2 4 0.423800 1.0079 0 - 2230 H2O 72 H2O O1 6 -0.847600 15.9994 0 - 2231 H2O 72 H2O H1 4 0.423800 1.0079 0 - 2232 H2O 72 H2O H2 4 0.423800 1.0079 0 - 2233 H2O 73 H2O O1 6 -0.847600 15.9994 0 - 2234 H2O 73 H2O H1 4 0.423800 1.0079 0 - 2235 H2O 73 H2O H2 4 0.423800 1.0079 0 - 2236 H2O 74 H2O O1 6 -0.847600 15.9994 0 - 2237 H2O 74 H2O H1 4 0.423800 1.0079 0 - 2238 H2O 74 H2O H2 4 0.423800 1.0079 0 - 2239 H2O 75 H2O O1 6 -0.847600 15.9994 0 - 2240 H2O 75 H2O H1 4 0.423800 1.0079 0 - 2241 H2O 75 H2O H2 4 0.423800 1.0079 0 - 2242 H2O 76 H2O O1 6 -0.847600 15.9994 0 - 2243 H2O 76 H2O H1 4 0.423800 1.0079 0 - 2244 H2O 76 H2O H2 4 0.423800 1.0079 0 - 2245 H2O 77 H2O O1 6 -0.847600 15.9994 0 - 2246 H2O 77 H2O H1 4 0.423800 1.0079 0 - 2247 H2O 77 H2O H2 4 0.423800 1.0079 0 - 2248 H2O 78 H2O O1 6 -0.847600 15.9994 0 - 2249 H2O 78 H2O H1 4 0.423800 1.0079 0 - 2250 H2O 78 H2O H2 4 0.423800 1.0079 0 - 2251 H2O 79 H2O O1 6 -0.847600 15.9994 0 - 2252 H2O 79 H2O H1 4 0.423800 1.0079 0 - 2253 H2O 79 H2O H2 4 0.423800 1.0079 0 - 2254 H2O 80 H2O O1 6 -0.847600 15.9994 0 - 2255 H2O 80 H2O H1 4 0.423800 1.0079 0 - 2256 H2O 80 H2O H2 4 0.423800 1.0079 0 - 2257 H2O 81 H2O O1 6 -0.847600 15.9994 0 - 2258 H2O 81 H2O H1 4 0.423800 1.0079 0 - 2259 H2O 81 H2O H2 4 0.423800 1.0079 0 - 2260 H2O 82 H2O O1 6 -0.847600 15.9994 0 - 2261 H2O 82 H2O H1 4 0.423800 1.0079 0 - 2262 H2O 82 H2O H2 4 0.423800 1.0079 0 - 2263 H2O 83 H2O O1 6 -0.847600 15.9994 0 - 2264 H2O 83 H2O H1 4 0.423800 1.0079 0 - 2265 H2O 83 H2O H2 4 0.423800 1.0079 0 - 2266 H2O 84 H2O O1 6 -0.847600 15.9994 0 - 2267 H2O 84 H2O H1 4 0.423800 1.0079 0 - 2268 H2O 84 H2O H2 4 0.423800 1.0079 0 - 2269 H2O 85 H2O O1 6 -0.847600 15.9994 0 - 2270 H2O 85 H2O H1 4 0.423800 1.0079 0 - 2271 H2O 85 H2O H2 4 0.423800 1.0079 0 - 2272 H2O 86 H2O O1 6 -0.847600 15.9994 0 - 2273 H2O 86 H2O H1 4 0.423800 1.0079 0 - 2274 H2O 86 H2O H2 4 0.423800 1.0079 0 - 2275 H2O 87 H2O O1 6 -0.847600 15.9994 0 - 2276 H2O 87 H2O H1 4 0.423800 1.0079 0 - 2277 H2O 87 H2O H2 4 0.423800 1.0079 0 - 2278 H2O 88 H2O O1 6 -0.847600 15.9994 0 - 2279 H2O 88 H2O H1 4 0.423800 1.0079 0 - 2280 H2O 88 H2O H2 4 0.423800 1.0079 0 - 2281 H2O 89 H2O O1 6 -0.847600 15.9994 0 - 2282 H2O 89 H2O H1 4 0.423800 1.0079 0 - 2283 H2O 89 H2O H2 4 0.423800 1.0079 0 - 2284 H2O 90 H2O O1 6 -0.847600 15.9994 0 - 2285 H2O 90 H2O H1 4 0.423800 1.0079 0 - 2286 H2O 90 H2O H2 4 0.423800 1.0079 0 - 2287 H2O 91 H2O O1 6 -0.847600 15.9994 0 - 2288 H2O 91 H2O H1 4 0.423800 1.0079 0 - 2289 H2O 91 H2O H2 4 0.423800 1.0079 0 - 2290 H2O 92 H2O O1 6 -0.847600 15.9994 0 - 2291 H2O 92 H2O H1 4 0.423800 1.0079 0 - 2292 H2O 92 H2O H2 4 0.423800 1.0079 0 - 2293 H2O 93 H2O O1 6 -0.847600 15.9994 0 - 2294 H2O 93 H2O H1 4 0.423800 1.0079 0 - 2295 H2O 93 H2O H2 4 0.423800 1.0079 0 - 2296 H2O 94 H2O O1 6 -0.847600 15.9994 0 - 2297 H2O 94 H2O H1 4 0.423800 1.0079 0 - 2298 H2O 94 H2O H2 4 0.423800 1.0079 0 - 2299 H2O 95 H2O O1 6 -0.847600 15.9994 0 - 2300 H2O 95 H2O H1 4 0.423800 1.0079 0 - 2301 H2O 95 H2O H2 4 0.423800 1.0079 0 - 2302 H2O 96 H2O O1 6 -0.847600 15.9994 0 - 2303 H2O 96 H2O H1 4 0.423800 1.0079 0 - 2304 H2O 96 H2O H2 4 0.423800 1.0079 0 - 2305 H2O 97 H2O O1 6 -0.847600 15.9994 0 - 2306 H2O 97 H2O H1 4 0.423800 1.0079 0 - 2307 H2O 97 H2O H2 4 0.423800 1.0079 0 - 2308 H2O 98 H2O O1 6 -0.847600 15.9994 0 - 2309 H2O 98 H2O H1 4 0.423800 1.0079 0 - 2310 H2O 98 H2O H2 4 0.423800 1.0079 0 - 2311 H2O 99 H2O O1 6 -0.847600 15.9994 0 - 2312 H2O 99 H2O H1 4 0.423800 1.0079 0 - 2313 H2O 99 H2O H2 4 0.423800 1.0079 0 - 2314 H2O 100 H2O O1 6 -0.847600 15.9994 0 - 2315 H2O 100 H2O H1 4 0.423800 1.0079 0 - 2316 H2O 100 H2O H2 4 0.423800 1.0079 0 - 2317 H2O 101 H2O O1 6 -0.847600 15.9994 0 - 2318 H2O 101 H2O H1 4 0.423800 1.0079 0 - 2319 H2O 101 H2O H2 4 0.423800 1.0079 0 - 2320 H2O 102 H2O O1 6 -0.847600 15.9994 0 - 2321 H2O 102 H2O H1 4 0.423800 1.0079 0 - 2322 H2O 102 H2O H2 4 0.423800 1.0079 0 - 2323 H2O 103 H2O O1 6 -0.847600 15.9994 0 - 2324 H2O 103 H2O H1 4 0.423800 1.0079 0 - 2325 H2O 103 H2O H2 4 0.423800 1.0079 0 - 2326 H2O 104 H2O O1 6 -0.847600 15.9994 0 - 2327 H2O 104 H2O H1 4 0.423800 1.0079 0 - 2328 H2O 104 H2O H2 4 0.423800 1.0079 0 - 2329 H2O 105 H2O O1 6 -0.847600 15.9994 0 - 2330 H2O 105 H2O H1 4 0.423800 1.0079 0 - 2331 H2O 105 H2O H2 4 0.423800 1.0079 0 - 2332 H2O 106 H2O O1 6 -0.847600 15.9994 0 - 2333 H2O 106 H2O H1 4 0.423800 1.0079 0 - 2334 H2O 106 H2O H2 4 0.423800 1.0079 0 - 2335 H2O 107 H2O O1 6 -0.847600 15.9994 0 - 2336 H2O 107 H2O H1 4 0.423800 1.0079 0 - 2337 H2O 107 H2O H2 4 0.423800 1.0079 0 - 2338 H2O 108 H2O O1 6 -0.847600 15.9994 0 - 2339 H2O 108 H2O H1 4 0.423800 1.0079 0 - 2340 H2O 108 H2O H2 4 0.423800 1.0079 0 - 2341 H2O 109 H2O O1 6 -0.847600 15.9994 0 - 2342 H2O 109 H2O H1 4 0.423800 1.0079 0 - 2343 H2O 109 H2O H2 4 0.423800 1.0079 0 - 2344 H2O 110 H2O O1 6 -0.847600 15.9994 0 - 2345 H2O 110 H2O H1 4 0.423800 1.0079 0 - 2346 H2O 110 H2O H2 4 0.423800 1.0079 0 - 2347 H2O 111 H2O O1 6 -0.847600 15.9994 0 - 2348 H2O 111 H2O H1 4 0.423800 1.0079 0 - 2349 H2O 111 H2O H2 4 0.423800 1.0079 0 - 2350 H2O 112 H2O O1 6 -0.847600 15.9994 0 - 2351 H2O 112 H2O H1 4 0.423800 1.0079 0 - 2352 H2O 112 H2O H2 4 0.423800 1.0079 0 - 2353 H2O 113 H2O O1 6 -0.847600 15.9994 0 - 2354 H2O 113 H2O H1 4 0.423800 1.0079 0 - 2355 H2O 113 H2O H2 4 0.423800 1.0079 0 - 2356 H2O 114 H2O O1 6 -0.847600 15.9994 0 - 2357 H2O 114 H2O H1 4 0.423800 1.0079 0 - 2358 H2O 114 H2O H2 4 0.423800 1.0079 0 - 2359 H2O 115 H2O O1 6 -0.847600 15.9994 0 - 2360 H2O 115 H2O H1 4 0.423800 1.0079 0 - 2361 H2O 115 H2O H2 4 0.423800 1.0079 0 - 2362 H2O 116 H2O O1 6 -0.847600 15.9994 0 - 2363 H2O 116 H2O H1 4 0.423800 1.0079 0 - 2364 H2O 116 H2O H2 4 0.423800 1.0079 0 - 2365 H2O 117 H2O O1 6 -0.847600 15.9994 0 - 2366 H2O 117 H2O H1 4 0.423800 1.0079 0 - 2367 H2O 117 H2O H2 4 0.423800 1.0079 0 - 2368 H2O 118 H2O O1 6 -0.847600 15.9994 0 - 2369 H2O 118 H2O H1 4 0.423800 1.0079 0 - 2370 H2O 118 H2O H2 4 0.423800 1.0079 0 - 2371 H2O 119 H2O O1 6 -0.847600 15.9994 0 - 2372 H2O 119 H2O H1 4 0.423800 1.0079 0 - 2373 H2O 119 H2O H2 4 0.423800 1.0079 0 - 2374 H2O 120 H2O O1 6 -0.847600 15.9994 0 - 2375 H2O 120 H2O H1 4 0.423800 1.0079 0 - 2376 H2O 120 H2O H2 4 0.423800 1.0079 0 - 2377 H2O 121 H2O O1 6 -0.847600 15.9994 0 - 2378 H2O 121 H2O H1 4 0.423800 1.0079 0 - 2379 H2O 121 H2O H2 4 0.423800 1.0079 0 - 2380 H2O 122 H2O O1 6 -0.847600 15.9994 0 - 2381 H2O 122 H2O H1 4 0.423800 1.0079 0 - 2382 H2O 122 H2O H2 4 0.423800 1.0079 0 - 2383 H2O 123 H2O O1 6 -0.847600 15.9994 0 - 2384 H2O 123 H2O H1 4 0.423800 1.0079 0 - 2385 H2O 123 H2O H2 4 0.423800 1.0079 0 - 2386 H2O 124 H2O O1 6 -0.847600 15.9994 0 - 2387 H2O 124 H2O H1 4 0.423800 1.0079 0 - 2388 H2O 124 H2O H2 4 0.423800 1.0079 0 - 2389 H2O 125 H2O O1 6 -0.847600 15.9994 0 - 2390 H2O 125 H2O H1 4 0.423800 1.0079 0 - 2391 H2O 125 H2O H2 4 0.423800 1.0079 0 - 2392 H2O 126 H2O O1 6 -0.847600 15.9994 0 - 2393 H2O 126 H2O H1 4 0.423800 1.0079 0 - 2394 H2O 126 H2O H2 4 0.423800 1.0079 0 - 2395 H2O 127 H2O O1 6 -0.847600 15.9994 0 - 2396 H2O 127 H2O H1 4 0.423800 1.0079 0 - 2397 H2O 127 H2O H2 4 0.423800 1.0079 0 - 2398 H2O 128 H2O O1 6 -0.847600 15.9994 0 - 2399 H2O 128 H2O H1 4 0.423800 1.0079 0 - 2400 H2O 128 H2O H2 4 0.423800 1.0079 0 - 2401 H2O 129 H2O O1 6 -0.847600 15.9994 0 - 2402 H2O 129 H2O H1 4 0.423800 1.0079 0 - 2403 H2O 129 H2O H2 4 0.423800 1.0079 0 - 2404 H2O 130 H2O O1 6 -0.847600 15.9994 0 - 2405 H2O 130 H2O H1 4 0.423800 1.0079 0 - 2406 H2O 130 H2O H2 4 0.423800 1.0079 0 - 2407 H2O 131 H2O O1 6 -0.847600 15.9994 0 - 2408 H2O 131 H2O H1 4 0.423800 1.0079 0 - 2409 H2O 131 H2O H2 4 0.423800 1.0079 0 - 2410 H2O 132 H2O O1 6 -0.847600 15.9994 0 - 2411 H2O 132 H2O H1 4 0.423800 1.0079 0 - 2412 H2O 132 H2O H2 4 0.423800 1.0079 0 - 2413 H2O 133 H2O O1 6 -0.847600 15.9994 0 - 2414 H2O 133 H2O H1 4 0.423800 1.0079 0 - 2415 H2O 133 H2O H2 4 0.423800 1.0079 0 - 2416 H2O 134 H2O O1 6 -0.847600 15.9994 0 - 2417 H2O 134 H2O H1 4 0.423800 1.0079 0 - 2418 H2O 134 H2O H2 4 0.423800 1.0079 0 - 2419 H2O 135 H2O O1 6 -0.847600 15.9994 0 - 2420 H2O 135 H2O H1 4 0.423800 1.0079 0 - 2421 H2O 135 H2O H2 4 0.423800 1.0079 0 - 2422 H2O 136 H2O O1 6 -0.847600 15.9994 0 - 2423 H2O 136 H2O H1 4 0.423800 1.0079 0 - 2424 H2O 136 H2O H2 4 0.423800 1.0079 0 - 2425 H2O 137 H2O O1 6 -0.847600 15.9994 0 - 2426 H2O 137 H2O H1 4 0.423800 1.0079 0 - 2427 H2O 137 H2O H2 4 0.423800 1.0079 0 - 2428 H2O 138 H2O O1 6 -0.847600 15.9994 0 - 2429 H2O 138 H2O H1 4 0.423800 1.0079 0 - 2430 H2O 138 H2O H2 4 0.423800 1.0079 0 - 2431 H2O 139 H2O O1 6 -0.847600 15.9994 0 - 2432 H2O 139 H2O H1 4 0.423800 1.0079 0 - 2433 H2O 139 H2O H2 4 0.423800 1.0079 0 - 2434 H2O 140 H2O O1 6 -0.847600 15.9994 0 - 2435 H2O 140 H2O H1 4 0.423800 1.0079 0 - 2436 H2O 140 H2O H2 4 0.423800 1.0079 0 - 2437 H2O 141 H2O O1 6 -0.847600 15.9994 0 - 2438 H2O 141 H2O H1 4 0.423800 1.0079 0 - 2439 H2O 141 H2O H2 4 0.423800 1.0079 0 - 2440 H2O 142 H2O O1 6 -0.847600 15.9994 0 - 2441 H2O 142 H2O H1 4 0.423800 1.0079 0 - 2442 H2O 142 H2O H2 4 0.423800 1.0079 0 - 2443 H2O 143 H2O O1 6 -0.847600 15.9994 0 - 2444 H2O 143 H2O H1 4 0.423800 1.0079 0 - 2445 H2O 143 H2O H2 4 0.423800 1.0079 0 - 2446 H2O 144 H2O O1 6 -0.847600 15.9994 0 - 2447 H2O 144 H2O H1 4 0.423800 1.0079 0 - 2448 H2O 144 H2O H2 4 0.423800 1.0079 0 - 2449 H2O 145 H2O O1 6 -0.847600 15.9994 0 - 2450 H2O 145 H2O H1 4 0.423800 1.0079 0 - 2451 H2O 145 H2O H2 4 0.423800 1.0079 0 - 2452 H2O 146 H2O O1 6 -0.847600 15.9994 0 - 2453 H2O 146 H2O H1 4 0.423800 1.0079 0 - 2454 H2O 146 H2O H2 4 0.423800 1.0079 0 - 2455 H2O 147 H2O O1 6 -0.847600 15.9994 0 - 2456 H2O 147 H2O H1 4 0.423800 1.0079 0 - 2457 H2O 147 H2O H2 4 0.423800 1.0079 0 - 2458 H2O 148 H2O O1 6 -0.847600 15.9994 0 - 2459 H2O 148 H2O H1 4 0.423800 1.0079 0 - 2460 H2O 148 H2O H2 4 0.423800 1.0079 0 - 2461 H2O 149 H2O O1 6 -0.847600 15.9994 0 - 2462 H2O 149 H2O H1 4 0.423800 1.0079 0 - 2463 H2O 149 H2O H2 4 0.423800 1.0079 0 - 2464 H2O 150 H2O O1 6 -0.847600 15.9994 0 - 2465 H2O 150 H2O H1 4 0.423800 1.0079 0 - 2466 H2O 150 H2O H2 4 0.423800 1.0079 0 - 2467 H2O 151 H2O O1 6 -0.847600 15.9994 0 - 2468 H2O 151 H2O H1 4 0.423800 1.0079 0 - 2469 H2O 151 H2O H2 4 0.423800 1.0079 0 - 2470 H2O 152 H2O O1 6 -0.847600 15.9994 0 - 2471 H2O 152 H2O H1 4 0.423800 1.0079 0 - 2472 H2O 152 H2O H2 4 0.423800 1.0079 0 - 2473 H2O 153 H2O O1 6 -0.847600 15.9994 0 - 2474 H2O 153 H2O H1 4 0.423800 1.0079 0 - 2475 H2O 153 H2O H2 4 0.423800 1.0079 0 - 2476 H2O 154 H2O O1 6 -0.847600 15.9994 0 - 2477 H2O 154 H2O H1 4 0.423800 1.0079 0 - 2478 H2O 154 H2O H2 4 0.423800 1.0079 0 - 2479 H2O 155 H2O O1 6 -0.847600 15.9994 0 - 2480 H2O 155 H2O H1 4 0.423800 1.0079 0 - 2481 H2O 155 H2O H2 4 0.423800 1.0079 0 - 2482 H2O 156 H2O O1 6 -0.847600 15.9994 0 - 2483 H2O 156 H2O H1 4 0.423800 1.0079 0 - 2484 H2O 156 H2O H2 4 0.423800 1.0079 0 - 2485 H2O 157 H2O O1 6 -0.847600 15.9994 0 - 2486 H2O 157 H2O H1 4 0.423800 1.0079 0 - 2487 H2O 157 H2O H2 4 0.423800 1.0079 0 - 2488 H2O 158 H2O O1 6 -0.847600 15.9994 0 - 2489 H2O 158 H2O H1 4 0.423800 1.0079 0 - 2490 H2O 158 H2O H2 4 0.423800 1.0079 0 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H2 4 0.423800 1.0079 0 - 2515 H2O 167 H2O O1 6 -0.847600 15.9994 0 - 2516 H2O 167 H2O H1 4 0.423800 1.0079 0 - 2517 H2O 167 H2O H2 4 0.423800 1.0079 0 - 2518 H2O 168 H2O O1 6 -0.847600 15.9994 0 - 2519 H2O 168 H2O H1 4 0.423800 1.0079 0 - 2520 H2O 168 H2O H2 4 0.423800 1.0079 0 - 2521 H2O 169 H2O O1 6 -0.847600 15.9994 0 - 2522 H2O 169 H2O H1 4 0.423800 1.0079 0 - 2523 H2O 169 H2O H2 4 0.423800 1.0079 0 - 2524 H2O 170 H2O O1 6 -0.847600 15.9994 0 - 2525 H2O 170 H2O H1 4 0.423800 1.0079 0 - 2526 H2O 170 H2O H2 4 0.423800 1.0079 0 - 2527 H2O 171 H2O O1 6 -0.847600 15.9994 0 - 2528 H2O 171 H2O H1 4 0.423800 1.0079 0 - 2529 H2O 171 H2O H2 4 0.423800 1.0079 0 - 2530 H2O 172 H2O O1 6 -0.847600 15.9994 0 - 2531 H2O 172 H2O H1 4 0.423800 1.0079 0 - 2532 H2O 172 H2O H2 4 0.423800 1.0079 0 - 2533 H2O 173 H2O O1 6 -0.847600 15.9994 0 - 2534 H2O 173 H2O H1 4 0.423800 1.0079 0 - 2535 H2O 173 H2O H2 4 0.423800 1.0079 0 - 2536 H2O 174 H2O O1 6 -0.847600 15.9994 0 - 2537 H2O 174 H2O H1 4 0.423800 1.0079 0 - 2538 H2O 174 H2O H2 4 0.423800 1.0079 0 - 2539 H2O 175 H2O O1 6 -0.847600 15.9994 0 - 2540 H2O 175 H2O H1 4 0.423800 1.0079 0 - 2541 H2O 175 H2O H2 4 0.423800 1.0079 0 - 2542 H2O 176 H2O O1 6 -0.847600 15.9994 0 - 2543 H2O 176 H2O H1 4 0.423800 1.0079 0 - 2544 H2O 176 H2O H2 4 0.423800 1.0079 0 - 2545 H2O 177 H2O O1 6 -0.847600 15.9994 0 - 2546 H2O 177 H2O H1 4 0.423800 1.0079 0 - 2547 H2O 177 H2O H2 4 0.423800 1.0079 0 - 2548 H2O 178 H2O O1 6 -0.847600 15.9994 0 - 2549 H2O 178 H2O H1 4 0.423800 1.0079 0 - 2550 H2O 178 H2O H2 4 0.423800 1.0079 0 - 2551 H2O 179 H2O O1 6 -0.847600 15.9994 0 - 2552 H2O 179 H2O H1 4 0.423800 1.0079 0 - 2553 H2O 179 H2O H2 4 0.423800 1.0079 0 - 2554 H2O 180 H2O O1 6 -0.847600 15.9994 0 - 2555 H2O 180 H2O H1 4 0.423800 1.0079 0 - 2556 H2O 180 H2O H2 4 0.423800 1.0079 0 - 2557 H2O 181 H2O O1 6 -0.847600 15.9994 0 - 2558 H2O 181 H2O H1 4 0.423800 1.0079 0 - 2559 H2O 181 H2O H2 4 0.423800 1.0079 0 - 2560 H2O 182 H2O O1 6 -0.847600 15.9994 0 - 2561 H2O 182 H2O H1 4 0.423800 1.0079 0 - 2562 H2O 182 H2O H2 4 0.423800 1.0079 0 - 2563 H2O 183 H2O O1 6 -0.847600 15.9994 0 - 2564 H2O 183 H2O H1 4 0.423800 1.0079 0 - 2565 H2O 183 H2O H2 4 0.423800 1.0079 0 - 2566 H2O 184 H2O O1 6 -0.847600 15.9994 0 - 2567 H2O 184 H2O H1 4 0.423800 1.0079 0 - 2568 H2O 184 H2O H2 4 0.423800 1.0079 0 - 2569 H2O 185 H2O O1 6 -0.847600 15.9994 0 - 2570 H2O 185 H2O H1 4 0.423800 1.0079 0 - 2571 H2O 185 H2O H2 4 0.423800 1.0079 0 - 2572 H2O 186 H2O O1 6 -0.847600 15.9994 0 - 2573 H2O 186 H2O H1 4 0.423800 1.0079 0 - 2574 H2O 186 H2O H2 4 0.423800 1.0079 0 - 2575 H2O 187 H2O O1 6 -0.847600 15.9994 0 - 2576 H2O 187 H2O H1 4 0.423800 1.0079 0 - 2577 H2O 187 H2O H2 4 0.423800 1.0079 0 - 2578 H2O 188 H2O O1 6 -0.847600 15.9994 0 - 2579 H2O 188 H2O H1 4 0.423800 1.0079 0 - 2580 H2O 188 H2O H2 4 0.423800 1.0079 0 - 2581 H2O 189 H2O O1 6 -0.847600 15.9994 0 - 2582 H2O 189 H2O H1 4 0.423800 1.0079 0 - 2583 H2O 189 H2O H2 4 0.423800 1.0079 0 - 2584 H2O 190 H2O O1 6 -0.847600 15.9994 0 - 2585 H2O 190 H2O H1 4 0.423800 1.0079 0 - 2586 H2O 190 H2O H2 4 0.423800 1.0079 0 - 2587 H2O 191 H2O O1 6 -0.847600 15.9994 0 - 2588 H2O 191 H2O H1 4 0.423800 1.0079 0 - 2589 H2O 191 H2O H2 4 0.423800 1.0079 0 - 2590 H2O 192 H2O O1 6 -0.847600 15.9994 0 - 2591 H2O 192 H2O H1 4 0.423800 1.0079 0 - 2592 H2O 192 H2O H2 4 0.423800 1.0079 0 - 2593 H2O 193 H2O O1 6 -0.847600 15.9994 0 - 2594 H2O 193 H2O H1 4 0.423800 1.0079 0 - 2595 H2O 193 H2O H2 4 0.423800 1.0079 0 - 2596 H2O 194 H2O O1 6 -0.847600 15.9994 0 - 2597 H2O 194 H2O H1 4 0.423800 1.0079 0 - 2598 H2O 194 H2O H2 4 0.423800 1.0079 0 - 2599 H2O 195 H2O O1 6 -0.847600 15.9994 0 - 2600 H2O 195 H2O H1 4 0.423800 1.0079 0 - 2601 H2O 195 H2O H2 4 0.423800 1.0079 0 - 2602 H2O 196 H2O O1 6 -0.847600 15.9994 0 - 2603 H2O 196 H2O H1 4 0.423800 1.0079 0 - 2604 H2O 196 H2O H2 4 0.423800 1.0079 0 - 2605 H2O 197 H2O O1 6 -0.847600 15.9994 0 - 2606 H2O 197 H2O H1 4 0.423800 1.0079 0 - 2607 H2O 197 H2O H2 4 0.423800 1.0079 0 - 2608 H2O 198 H2O O1 6 -0.847600 15.9994 0 - 2609 H2O 198 H2O H1 4 0.423800 1.0079 0 - 2610 H2O 198 H2O H2 4 0.423800 1.0079 0 - 2611 H2O 199 H2O O1 6 -0.847600 15.9994 0 - 2612 H2O 199 H2O H1 4 0.423800 1.0079 0 - 2613 H2O 199 H2O H2 4 0.423800 1.0079 0 - 2614 H2O 200 H2O O1 6 -0.847600 15.9994 0 - 2615 H2O 200 H2O H1 4 0.423800 1.0079 0 - 2616 H2O 200 H2O H2 4 0.423800 1.0079 0 - 2617 H2O 201 H2O O1 6 -0.847600 15.9994 0 - 2618 H2O 201 H2O H1 4 0.423800 1.0079 0 - 2619 H2O 201 H2O H2 4 0.423800 1.0079 0 - 2620 H2O 202 H2O O1 6 -0.847600 15.9994 0 - 2621 H2O 202 H2O H1 4 0.423800 1.0079 0 - 2622 H2O 202 H2O H2 4 0.423800 1.0079 0 - 2623 H2O 203 H2O O1 6 -0.847600 15.9994 0 - 2624 H2O 203 H2O H1 4 0.423800 1.0079 0 - 2625 H2O 203 H2O H2 4 0.423800 1.0079 0 - 2626 H2O 204 H2O O1 6 -0.847600 15.9994 0 - 2627 H2O 204 H2O H1 4 0.423800 1.0079 0 - 2628 H2O 204 H2O H2 4 0.423800 1.0079 0 - 2629 H2O 205 H2O O1 6 -0.847600 15.9994 0 - 2630 H2O 205 H2O H1 4 0.423800 1.0079 0 - 2631 H2O 205 H2O H2 4 0.423800 1.0079 0 - 2632 H2O 206 H2O O1 6 -0.847600 15.9994 0 - 2633 H2O 206 H2O H1 4 0.423800 1.0079 0 - 2634 H2O 206 H2O H2 4 0.423800 1.0079 0 - 2635 H2O 207 H2O O1 6 -0.847600 15.9994 0 - 2636 H2O 207 H2O H1 4 0.423800 1.0079 0 - 2637 H2O 207 H2O H2 4 0.423800 1.0079 0 - 2638 H2O 208 H2O O1 6 -0.847600 15.9994 0 - 2639 H2O 208 H2O H1 4 0.423800 1.0079 0 - 2640 H2O 208 H2O H2 4 0.423800 1.0079 0 - 2641 H2O 209 H2O O1 6 -0.847600 15.9994 0 - 2642 H2O 209 H2O H1 4 0.423800 1.0079 0 - 2643 H2O 209 H2O H2 4 0.423800 1.0079 0 - 2644 H2O 210 H2O O1 6 -0.847600 15.9994 0 - 2645 H2O 210 H2O H1 4 0.423800 1.0079 0 - 2646 H2O 210 H2O H2 4 0.423800 1.0079 0 - 2647 H2O 211 H2O O1 6 -0.847600 15.9994 0 - 2648 H2O 211 H2O H1 4 0.423800 1.0079 0 - 2649 H2O 211 H2O H2 4 0.423800 1.0079 0 - 2650 H2O 212 H2O O1 6 -0.847600 15.9994 0 - 2651 H2O 212 H2O H1 4 0.423800 1.0079 0 - 2652 H2O 212 H2O H2 4 0.423800 1.0079 0 - 2653 H2O 213 H2O O1 6 -0.847600 15.9994 0 - 2654 H2O 213 H2O H1 4 0.423800 1.0079 0 - 2655 H2O 213 H2O H2 4 0.423800 1.0079 0 - 2656 H2O 214 H2O O1 6 -0.847600 15.9994 0 - 2657 H2O 214 H2O H1 4 0.423800 1.0079 0 - 2658 H2O 214 H2O H2 4 0.423800 1.0079 0 - 2659 H2O 215 H2O O1 6 -0.847600 15.9994 0 - 2660 H2O 215 H2O H1 4 0.423800 1.0079 0 - 2661 H2O 215 H2O H2 4 0.423800 1.0079 0 - 2662 H2O 216 H2O O1 6 -0.847600 15.9994 0 - 2663 H2O 216 H2O H1 4 0.423800 1.0079 0 - 2664 H2O 216 H2O H2 4 0.423800 1.0079 0 - 2665 H2O 217 H2O O1 6 -0.847600 15.9994 0 - 2666 H2O 217 H2O H1 4 0.423800 1.0079 0 - 2667 H2O 217 H2O H2 4 0.423800 1.0079 0 - 2668 H2O 218 H2O O1 6 -0.847600 15.9994 0 - 2669 H2O 218 H2O H1 4 0.423800 1.0079 0 - 2670 H2O 218 H2O H2 4 0.423800 1.0079 0 - 2671 H2O 219 H2O O1 6 -0.847600 15.9994 0 - 2672 H2O 219 H2O H1 4 0.423800 1.0079 0 - 2673 H2O 219 H2O H2 4 0.423800 1.0079 0 - 2674 H2O 220 H2O O1 6 -0.847600 15.9994 0 - 2675 H2O 220 H2O H1 4 0.423800 1.0079 0 - 2676 H2O 220 H2O H2 4 0.423800 1.0079 0 - 2677 H2O 221 H2O O1 6 -0.847600 15.9994 0 - 2678 H2O 221 H2O H1 4 0.423800 1.0079 0 - 2679 H2O 221 H2O H2 4 0.423800 1.0079 0 - 2680 H2O 222 H2O O1 6 -0.847600 15.9994 0 - 2681 H2O 222 H2O H1 4 0.423800 1.0079 0 - 2682 H2O 222 H2O H2 4 0.423800 1.0079 0 - 2683 H2O 223 H2O O1 6 -0.847600 15.9994 0 - 2684 H2O 223 H2O H1 4 0.423800 1.0079 0 - 2685 H2O 223 H2O H2 4 0.423800 1.0079 0 - 2686 H2O 224 H2O O1 6 -0.847600 15.9994 0 - 2687 H2O 224 H2O H1 4 0.423800 1.0079 0 - 2688 H2O 224 H2O H2 4 0.423800 1.0079 0 - 2689 H2O 225 H2O O1 6 -0.847600 15.9994 0 - 2690 H2O 225 H2O H1 4 0.423800 1.0079 0 - 2691 H2O 225 H2O H2 4 0.423800 1.0079 0 - 2692 H2O 226 H2O O1 6 -0.847600 15.9994 0 - 2693 H2O 226 H2O H1 4 0.423800 1.0079 0 - 2694 H2O 226 H2O H2 4 0.423800 1.0079 0 - 2695 H2O 227 H2O O1 6 -0.847600 15.9994 0 - 2696 H2O 227 H2O H1 4 0.423800 1.0079 0 - 2697 H2O 227 H2O H2 4 0.423800 1.0079 0 - 2698 H2O 228 H2O O1 6 -0.847600 15.9994 0 - 2699 H2O 228 H2O H1 4 0.423800 1.0079 0 - 2700 H2O 228 H2O H2 4 0.423800 1.0079 0 - 2701 H2O 229 H2O O1 6 -0.847600 15.9994 0 - 2702 H2O 229 H2O H1 4 0.423800 1.0079 0 - 2703 H2O 229 H2O H2 4 0.423800 1.0079 0 - 2704 H2O 230 H2O O1 6 -0.847600 15.9994 0 - 2705 H2O 230 H2O H1 4 0.423800 1.0079 0 - 2706 H2O 230 H2O H2 4 0.423800 1.0079 0 - 2707 H2O 231 H2O O1 6 -0.847600 15.9994 0 - 2708 H2O 231 H2O H1 4 0.423800 1.0079 0 - 2709 H2O 231 H2O H2 4 0.423800 1.0079 0 - 2710 H2O 232 H2O O1 6 -0.847600 15.9994 0 - 2711 H2O 232 H2O H1 4 0.423800 1.0079 0 - 2712 H2O 232 H2O H2 4 0.423800 1.0079 0 - 2713 H2O 233 H2O O1 6 -0.847600 15.9994 0 - 2714 H2O 233 H2O H1 4 0.423800 1.0079 0 - 2715 H2O 233 H2O H2 4 0.423800 1.0079 0 - 2716 H2O 234 H2O O1 6 -0.847600 15.9994 0 - 2717 H2O 234 H2O H1 4 0.423800 1.0079 0 - 2718 H2O 234 H2O H2 4 0.423800 1.0079 0 - 2719 H2O 235 H2O O1 6 -0.847600 15.9994 0 - 2720 H2O 235 H2O H1 4 0.423800 1.0079 0 - 2721 H2O 235 H2O H2 4 0.423800 1.0079 0 - 2722 H2O 236 H2O O1 6 -0.847600 15.9994 0 - 2723 H2O 236 H2O H1 4 0.423800 1.0079 0 - 2724 H2O 236 H2O H2 4 0.423800 1.0079 0 - 2725 H2O 237 H2O O1 6 -0.847600 15.9994 0 - 2726 H2O 237 H2O H1 4 0.423800 1.0079 0 - 2727 H2O 237 H2O H2 4 0.423800 1.0079 0 - 2728 H2O 238 H2O O1 6 -0.847600 15.9994 0 - 2729 H2O 238 H2O H1 4 0.423800 1.0079 0 - 2730 H2O 238 H2O H2 4 0.423800 1.0079 0 - 2731 H2O 239 H2O O1 6 -0.847600 15.9994 0 - 2732 H2O 239 H2O H1 4 0.423800 1.0079 0 - 2733 H2O 239 H2O H2 4 0.423800 1.0079 0 - 2734 H2O 240 H2O O1 6 -0.847600 15.9994 0 - 2735 H2O 240 H2O H1 4 0.423800 1.0079 0 - 2736 H2O 240 H2O H2 4 0.423800 1.0079 0 - 2737 H2O 241 H2O O1 6 -0.847600 15.9994 0 - 2738 H2O 241 H2O H1 4 0.423800 1.0079 0 - 2739 H2O 241 H2O H2 4 0.423800 1.0079 0 - 2740 H2O 242 H2O O1 6 -0.847600 15.9994 0 - 2741 H2O 242 H2O H1 4 0.423800 1.0079 0 - 2742 H2O 242 H2O H2 4 0.423800 1.0079 0 - 2743 H2O 243 H2O O1 6 -0.847600 15.9994 0 - 2744 H2O 243 H2O H1 4 0.423800 1.0079 0 - 2745 H2O 243 H2O H2 4 0.423800 1.0079 0 - 2746 H2O 244 H2O O1 6 -0.847600 15.9994 0 - 2747 H2O 244 H2O H1 4 0.423800 1.0079 0 - 2748 H2O 244 H2O H2 4 0.423800 1.0079 0 - 2749 H2O 245 H2O O1 6 -0.847600 15.9994 0 - 2750 H2O 245 H2O H1 4 0.423800 1.0079 0 - 2751 H2O 245 H2O H2 4 0.423800 1.0079 0 - 2752 H2O 246 H2O O1 6 -0.847600 15.9994 0 - 2753 H2O 246 H2O H1 4 0.423800 1.0079 0 - 2754 H2O 246 H2O H2 4 0.423800 1.0079 0 - 2755 H2O 247 H2O O1 6 -0.847600 15.9994 0 - 2756 H2O 247 H2O H1 4 0.423800 1.0079 0 - 2757 H2O 247 H2O H2 4 0.423800 1.0079 0 - 2758 H2O 248 H2O O1 6 -0.847600 15.9994 0 - 2759 H2O 248 H2O H1 4 0.423800 1.0079 0 - 2760 H2O 248 H2O H2 4 0.423800 1.0079 0 - 2761 H2O 249 H2O O1 6 -0.847600 15.9994 0 - 2762 H2O 249 H2O H1 4 0.423800 1.0079 0 - 2763 H2O 249 H2O H2 4 0.423800 1.0079 0 - 2764 H2O 250 H2O O1 6 -0.847600 15.9994 0 - 2765 H2O 250 H2O H1 4 0.423800 1.0079 0 - 2766 H2O 250 H2O H2 4 0.423800 1.0079 0 - 2767 H2O 251 H2O O1 6 -0.847600 15.9994 0 - 2768 H2O 251 H2O H1 4 0.423800 1.0079 0 - 2769 H2O 251 H2O H2 4 0.423800 1.0079 0 - 2770 H2O 252 H2O O1 6 -0.847600 15.9994 0 - 2771 H2O 252 H2O H1 4 0.423800 1.0079 0 - 2772 H2O 252 H2O H2 4 0.423800 1.0079 0 - 2773 H2O 253 H2O O1 6 -0.847600 15.9994 0 - 2774 H2O 253 H2O H1 4 0.423800 1.0079 0 - 2775 H2O 253 H2O H2 4 0.423800 1.0079 0 - 2776 H2O 254 H2O O1 6 -0.847600 15.9994 0 - 2777 H2O 254 H2O H1 4 0.423800 1.0079 0 - 2778 H2O 254 H2O H2 4 0.423800 1.0079 0 - 2779 H2O 255 H2O O1 6 -0.847600 15.9994 0 - 2780 H2O 255 H2O H1 4 0.423800 1.0079 0 - 2781 H2O 255 H2O H2 4 0.423800 1.0079 0 - 2782 H2O 256 H2O O1 6 -0.847600 15.9994 0 - 2783 H2O 256 H2O H1 4 0.423800 1.0079 0 - 2784 H2O 256 H2O H2 4 0.423800 1.0079 0 - 2785 H2O 257 H2O O1 6 -0.847600 15.9994 0 - 2786 H2O 257 H2O H1 4 0.423800 1.0079 0 - 2787 H2O 257 H2O H2 4 0.423800 1.0079 0 - 2788 H2O 258 H2O O1 6 -0.847600 15.9994 0 - 2789 H2O 258 H2O H1 4 0.423800 1.0079 0 - 2790 H2O 258 H2O H2 4 0.423800 1.0079 0 - 2791 H2O 259 H2O O1 6 -0.847600 15.9994 0 - 2792 H2O 259 H2O H1 4 0.423800 1.0079 0 - 2793 H2O 259 H2O H2 4 0.423800 1.0079 0 - 2794 H2O 260 H2O O1 6 -0.847600 15.9994 0 - 2795 H2O 260 H2O H1 4 0.423800 1.0079 0 - 2796 H2O 260 H2O H2 4 0.423800 1.0079 0 - 2797 H2O 261 H2O O1 6 -0.847600 15.9994 0 - 2798 H2O 261 H2O H1 4 0.423800 1.0079 0 - 2799 H2O 261 H2O H2 4 0.423800 1.0079 0 - 2800 H2O 262 H2O O1 6 -0.847600 15.9994 0 - 2801 H2O 262 H2O H1 4 0.423800 1.0079 0 - 2802 H2O 262 H2O H2 4 0.423800 1.0079 0 - 2803 H2O 263 H2O O1 6 -0.847600 15.9994 0 - 2804 H2O 263 H2O H1 4 0.423800 1.0079 0 - 2805 H2O 263 H2O H2 4 0.423800 1.0079 0 - 2806 H2O 264 H2O O1 6 -0.847600 15.9994 0 - 2807 H2O 264 H2O H1 4 0.423800 1.0079 0 - 2808 H2O 264 H2O H2 4 0.423800 1.0079 0 - 2809 H2O 265 H2O O1 6 -0.847600 15.9994 0 - 2810 H2O 265 H2O H1 4 0.423800 1.0079 0 - 2811 H2O 265 H2O H2 4 0.423800 1.0079 0 - 2812 H2O 266 H2O O1 6 -0.847600 15.9994 0 - 2813 H2O 266 H2O H1 4 0.423800 1.0079 0 - 2814 H2O 266 H2O H2 4 0.423800 1.0079 0 - 2815 H2O 267 H2O O1 6 -0.847600 15.9994 0 - 2816 H2O 267 H2O H1 4 0.423800 1.0079 0 - 2817 H2O 267 H2O H2 4 0.423800 1.0079 0 - 2818 H2O 268 H2O O1 6 -0.847600 15.9994 0 - 2819 H2O 268 H2O H1 4 0.423800 1.0079 0 - 2820 H2O 268 H2O H2 4 0.423800 1.0079 0 - 2821 H2O 269 H2O O1 6 -0.847600 15.9994 0 - 2822 H2O 269 H2O H1 4 0.423800 1.0079 0 - 2823 H2O 269 H2O H2 4 0.423800 1.0079 0 - 2824 H2O 270 H2O O1 6 -0.847600 15.9994 0 - 2825 H2O 270 H2O H1 4 0.423800 1.0079 0 - 2826 H2O 270 H2O H2 4 0.423800 1.0079 0 - 2827 H2O 271 H2O O1 6 -0.847600 15.9994 0 - 2828 H2O 271 H2O H1 4 0.423800 1.0079 0 - 2829 H2O 271 H2O H2 4 0.423800 1.0079 0 - 2830 H2O 272 H2O O1 6 -0.847600 15.9994 0 - 2831 H2O 272 H2O H1 4 0.423800 1.0079 0 - 2832 H2O 272 H2O H2 4 0.423800 1.0079 0 - 2833 H2O 273 H2O O1 6 -0.847600 15.9994 0 - 2834 H2O 273 H2O H1 4 0.423800 1.0079 0 - 2835 H2O 273 H2O H2 4 0.423800 1.0079 0 - 2836 H2O 274 H2O O1 6 -0.847600 15.9994 0 - 2837 H2O 274 H2O H1 4 0.423800 1.0079 0 - 2838 H2O 274 H2O H2 4 0.423800 1.0079 0 - 2839 H2O 275 H2O O1 6 -0.847600 15.9994 0 - 2840 H2O 275 H2O H1 4 0.423800 1.0079 0 - 2841 H2O 275 H2O H2 4 0.423800 1.0079 0 - 2842 H2O 276 H2O O1 6 -0.847600 15.9994 0 - 2843 H2O 276 H2O H1 4 0.423800 1.0079 0 - 2844 H2O 276 H2O H2 4 0.423800 1.0079 0 - 2845 H2O 277 H2O O1 6 -0.847600 15.9994 0 - 2846 H2O 277 H2O H1 4 0.423800 1.0079 0 - 2847 H2O 277 H2O H2 4 0.423800 1.0079 0 - 2848 H2O 278 H2O O1 6 -0.847600 15.9994 0 - 2849 H2O 278 H2O H1 4 0.423800 1.0079 0 - 2850 H2O 278 H2O H2 4 0.423800 1.0079 0 - 2851 H2O 279 H2O O1 6 -0.847600 15.9994 0 - 2852 H2O 279 H2O H1 4 0.423800 1.0079 0 - 2853 H2O 279 H2O H2 4 0.423800 1.0079 0 - 2854 H2O 280 H2O O1 6 -0.847600 15.9994 0 - 2855 H2O 280 H2O H1 4 0.423800 1.0079 0 - 2856 H2O 280 H2O H2 4 0.423800 1.0079 0 - 2857 H2O 281 H2O O1 6 -0.847600 15.9994 0 - 2858 H2O 281 H2O H1 4 0.423800 1.0079 0 - 2859 H2O 281 H2O H2 4 0.423800 1.0079 0 - 2860 H2O 282 H2O O1 6 -0.847600 15.9994 0 - 2861 H2O 282 H2O H1 4 0.423800 1.0079 0 - 2862 H2O 282 H2O H2 4 0.423800 1.0079 0 - 2863 H2O 283 H2O O1 6 -0.847600 15.9994 0 - 2864 H2O 283 H2O H1 4 0.423800 1.0079 0 - 2865 H2O 283 H2O H2 4 0.423800 1.0079 0 - 2866 H2O 284 H2O O1 6 -0.847600 15.9994 0 - 2867 H2O 284 H2O H1 4 0.423800 1.0079 0 - 2868 H2O 284 H2O H2 4 0.423800 1.0079 0 - 2869 H2O 285 H2O O1 6 -0.847600 15.9994 0 - 2870 H2O 285 H2O H1 4 0.423800 1.0079 0 - 2871 H2O 285 H2O H2 4 0.423800 1.0079 0 - 2872 H2O 286 H2O O1 6 -0.847600 15.9994 0 - 2873 H2O 286 H2O H1 4 0.423800 1.0079 0 - 2874 H2O 286 H2O H2 4 0.423800 1.0079 0 - 2875 H2O 287 H2O O1 6 -0.847600 15.9994 0 - 2876 H2O 287 H2O H1 4 0.423800 1.0079 0 - 2877 H2O 287 H2O H2 4 0.423800 1.0079 0 - 2878 H2O 288 H2O O1 6 -0.847600 15.9994 0 - 2879 H2O 288 H2O H1 4 0.423800 1.0079 0 - 2880 H2O 288 H2O H2 4 0.423800 1.0079 0 - 2881 H2O 289 H2O O1 6 -0.847600 15.9994 0 - 2882 H2O 289 H2O H1 4 0.423800 1.0079 0 - 2883 H2O 289 H2O H2 4 0.423800 1.0079 0 - 2884 H2O 290 H2O O1 6 -0.847600 15.9994 0 - 2885 H2O 290 H2O H1 4 0.423800 1.0079 0 - 2886 H2O 290 H2O H2 4 0.423800 1.0079 0 - 2887 H2O 291 H2O O1 6 -0.847600 15.9994 0 - 2888 H2O 291 H2O H1 4 0.423800 1.0079 0 - 2889 H2O 291 H2O H2 4 0.423800 1.0079 0 - 2890 H2O 292 H2O O1 6 -0.847600 15.9994 0 - 2891 H2O 292 H2O H1 4 0.423800 1.0079 0 - 2892 H2O 292 H2O H2 4 0.423800 1.0079 0 - 2893 H2O 293 H2O O1 6 -0.847600 15.9994 0 - 2894 H2O 293 H2O H1 4 0.423800 1.0079 0 - 2895 H2O 293 H2O H2 4 0.423800 1.0079 0 - 2896 H2O 294 H2O O1 6 -0.847600 15.9994 0 - 2897 H2O 294 H2O H1 4 0.423800 1.0079 0 - 2898 H2O 294 H2O H2 4 0.423800 1.0079 0 - 2899 H2O 295 H2O O1 6 -0.847600 15.9994 0 - 2900 H2O 295 H2O H1 4 0.423800 1.0079 0 - 2901 H2O 295 H2O H2 4 0.423800 1.0079 0 - 2902 H2O 296 H2O O1 6 -0.847600 15.9994 0 - 2903 H2O 296 H2O H1 4 0.423800 1.0079 0 - 2904 H2O 296 H2O H2 4 0.423800 1.0079 0 - 2905 H2O 297 H2O O1 6 -0.847600 15.9994 0 - 2906 H2O 297 H2O H1 4 0.423800 1.0079 0 - 2907 H2O 297 H2O H2 4 0.423800 1.0079 0 - 2908 H2O 298 H2O O1 6 -0.847600 15.9994 0 - 2909 H2O 298 H2O H1 4 0.423800 1.0079 0 - 2910 H2O 298 H2O H2 4 0.423800 1.0079 0 - 2911 H2O 299 H2O O1 6 -0.847600 15.9994 0 - 2912 H2O 299 H2O H1 4 0.423800 1.0079 0 - 2913 H2O 299 H2O H2 4 0.423800 1.0079 0 - 2914 H2O 300 H2O O1 6 -0.847600 15.9994 0 - 2915 H2O 300 H2O H1 4 0.423800 1.0079 0 - 2916 H2O 300 H2O H2 4 0.423800 1.0079 0 - 2917 H2O 301 H2O O1 6 -0.847600 15.9994 0 - 2918 H2O 301 H2O H1 4 0.423800 1.0079 0 - 2919 H2O 301 H2O H2 4 0.423800 1.0079 0 - 2920 H2O 302 H2O O1 6 -0.847600 15.9994 0 - 2921 H2O 302 H2O H1 4 0.423800 1.0079 0 - 2922 H2O 302 H2O H2 4 0.423800 1.0079 0 - 2923 H2O 303 H2O O1 6 -0.847600 15.9994 0 - 2924 H2O 303 H2O H1 4 0.423800 1.0079 0 - 2925 H2O 303 H2O H2 4 0.423800 1.0079 0 - 2926 H2O 304 H2O O1 6 -0.847600 15.9994 0 - 2927 H2O 304 H2O H1 4 0.423800 1.0079 0 - 2928 H2O 304 H2O H2 4 0.423800 1.0079 0 - 2929 H2O 305 H2O O1 6 -0.847600 15.9994 0 - 2930 H2O 305 H2O H1 4 0.423800 1.0079 0 - 2931 H2O 305 H2O H2 4 0.423800 1.0079 0 - 2932 H2O 306 H2O O1 6 -0.847600 15.9994 0 - 2933 H2O 306 H2O H1 4 0.423800 1.0079 0 - 2934 H2O 306 H2O H2 4 0.423800 1.0079 0 - 2935 H2O 307 H2O O1 6 -0.847600 15.9994 0 - 2936 H2O 307 H2O H1 4 0.423800 1.0079 0 - 2937 H2O 307 H2O H2 4 0.423800 1.0079 0 - 2938 H2O 308 H2O O1 6 -0.847600 15.9994 0 - 2939 H2O 308 H2O H1 4 0.423800 1.0079 0 - 2940 H2O 308 H2O H2 4 0.423800 1.0079 0 - 2941 H2O 309 H2O O1 6 -0.847600 15.9994 0 - 2942 H2O 309 H2O H1 4 0.423800 1.0079 0 - 2943 H2O 309 H2O H2 4 0.423800 1.0079 0 - 2944 H2O 310 H2O O1 6 -0.847600 15.9994 0 - 2945 H2O 310 H2O H1 4 0.423800 1.0079 0 - 2946 H2O 310 H2O H2 4 0.423800 1.0079 0 - 2947 H2O 311 H2O O1 6 -0.847600 15.9994 0 - 2948 H2O 311 H2O H1 4 0.423800 1.0079 0 - 2949 H2O 311 H2O H2 4 0.423800 1.0079 0 - 2950 H2O 312 H2O O1 6 -0.847600 15.9994 0 - 2951 H2O 312 H2O H1 4 0.423800 1.0079 0 - 2952 H2O 312 H2O H2 4 0.423800 1.0079 0 - 2953 H2O 313 H2O O1 6 -0.847600 15.9994 0 - 2954 H2O 313 H2O H1 4 0.423800 1.0079 0 - 2955 H2O 313 H2O H2 4 0.423800 1.0079 0 - 2956 H2O 314 H2O O1 6 -0.847600 15.9994 0 - 2957 H2O 314 H2O H1 4 0.423800 1.0079 0 - 2958 H2O 314 H2O H2 4 0.423800 1.0079 0 - 2959 H2O 315 H2O O1 6 -0.847600 15.9994 0 - 2960 H2O 315 H2O H1 4 0.423800 1.0079 0 - 2961 H2O 315 H2O H2 4 0.423800 1.0079 0 - 2962 H2O 316 H2O O1 6 -0.847600 15.9994 0 - 2963 H2O 316 H2O H1 4 0.423800 1.0079 0 - 2964 H2O 316 H2O H2 4 0.423800 1.0079 0 - 2965 H2O 317 H2O O1 6 -0.847600 15.9994 0 - 2966 H2O 317 H2O H1 4 0.423800 1.0079 0 - 2967 H2O 317 H2O H2 4 0.423800 1.0079 0 - 2968 H2O 318 H2O O1 6 -0.847600 15.9994 0 - 2969 H2O 318 H2O H1 4 0.423800 1.0079 0 - 2970 H2O 318 H2O H2 4 0.423800 1.0079 0 - 2971 H2O 319 H2O O1 6 -0.847600 15.9994 0 - 2972 H2O 319 H2O H1 4 0.423800 1.0079 0 - 2973 H2O 319 H2O H2 4 0.423800 1.0079 0 - 2974 H2O 320 H2O O1 6 -0.847600 15.9994 0 - 2975 H2O 320 H2O H1 4 0.423800 1.0079 0 - 2976 H2O 320 H2O H2 4 0.423800 1.0079 0 - 2977 H2O 321 H2O O1 6 -0.847600 15.9994 0 - 2978 H2O 321 H2O H1 4 0.423800 1.0079 0 - 2979 H2O 321 H2O H2 4 0.423800 1.0079 0 - 2980 H2O 322 H2O O1 6 -0.847600 15.9994 0 - 2981 H2O 322 H2O H1 4 0.423800 1.0079 0 - 2982 H2O 322 H2O H2 4 0.423800 1.0079 0 - 2983 H2O 323 H2O O1 6 -0.847600 15.9994 0 - 2984 H2O 323 H2O H1 4 0.423800 1.0079 0 - 2985 H2O 323 H2O H2 4 0.423800 1.0079 0 - 2986 H2O 324 H2O O1 6 -0.847600 15.9994 0 - 2987 H2O 324 H2O H1 4 0.423800 1.0079 0 - 2988 H2O 324 H2O H2 4 0.423800 1.0079 0 - 2989 H2O 325 H2O O1 6 -0.847600 15.9994 0 - 2990 H2O 325 H2O H1 4 0.423800 1.0079 0 - 2991 H2O 325 H2O H2 4 0.423800 1.0079 0 - 2992 H2O 326 H2O O1 6 -0.847600 15.9994 0 - 2993 H2O 326 H2O H1 4 0.423800 1.0079 0 - 2994 H2O 326 H2O H2 4 0.423800 1.0079 0 - 2995 H2O 327 H2O O1 6 -0.847600 15.9994 0 - 2996 H2O 327 H2O H1 4 0.423800 1.0079 0 - 2997 H2O 327 H2O H2 4 0.423800 1.0079 0 - 2998 H2O 328 H2O O1 6 -0.847600 15.9994 0 - 2999 H2O 328 H2O H1 4 0.423800 1.0079 0 - 3000 H2O 328 H2O H2 4 0.423800 1.0079 0 - 3001 H2O 329 H2O O1 6 -0.847600 15.9994 0 - 3002 H2O 329 H2O H1 4 0.423800 1.0079 0 - 3003 H2O 329 H2O H2 4 0.423800 1.0079 0 - 3004 H2O 330 H2O O1 6 -0.847600 15.9994 0 - 3005 H2O 330 H2O H1 4 0.423800 1.0079 0 - 3006 H2O 330 H2O H2 4 0.423800 1.0079 0 - 3007 H2O 331 H2O O1 6 -0.847600 15.9994 0 - 3008 H2O 331 H2O H1 4 0.423800 1.0079 0 - 3009 H2O 331 H2O H2 4 0.423800 1.0079 0 - 3010 H2O 332 H2O O1 6 -0.847600 15.9994 0 - 3011 H2O 332 H2O H1 4 0.423800 1.0079 0 - 3012 H2O 332 H2O H2 4 0.423800 1.0079 0 - 3013 H2O 333 H2O O1 6 -0.847600 15.9994 0 - 3014 H2O 333 H2O H1 4 0.423800 1.0079 0 - 3015 H2O 333 H2O H2 4 0.423800 1.0079 0 - 3016 H2O 334 H2O O1 6 -0.847600 15.9994 0 - 3017 H2O 334 H2O H1 4 0.423800 1.0079 0 - 3018 H2O 334 H2O H2 4 0.423800 1.0079 0 - 3019 H2O 335 H2O O1 6 -0.847600 15.9994 0 - 3020 H2O 335 H2O H1 4 0.423800 1.0079 0 - 3021 H2O 335 H2O H2 4 0.423800 1.0079 0 - 3022 H2O 336 H2O O1 6 -0.847600 15.9994 0 - 3023 H2O 336 H2O H1 4 0.423800 1.0079 0 - 3024 H2O 336 H2O H2 4 0.423800 1.0079 0 - 3025 H2O 337 H2O O1 6 -0.847600 15.9994 0 - 3026 H2O 337 H2O H1 4 0.423800 1.0079 0 - 3027 H2O 337 H2O H2 4 0.423800 1.0079 0 - 3028 H2O 338 H2O O1 6 -0.847600 15.9994 0 - 3029 H2O 338 H2O H1 4 0.423800 1.0079 0 - 3030 H2O 338 H2O H2 4 0.423800 1.0079 0 - 3031 H2O 339 H2O O1 6 -0.847600 15.9994 0 - 3032 H2O 339 H2O H1 4 0.423800 1.0079 0 - 3033 H2O 339 H2O H2 4 0.423800 1.0079 0 - 3034 H2O 340 H2O O1 6 -0.847600 15.9994 0 - 3035 H2O 340 H2O H1 4 0.423800 1.0079 0 - 3036 H2O 340 H2O H2 4 0.423800 1.0079 0 - 3037 H2O 341 H2O O1 6 -0.847600 15.9994 0 - 3038 H2O 341 H2O H1 4 0.423800 1.0079 0 - 3039 H2O 341 H2O H2 4 0.423800 1.0079 0 - 3040 H2O 342 H2O O1 6 -0.847600 15.9994 0 - 3041 H2O 342 H2O H1 4 0.423800 1.0079 0 - 3042 H2O 342 H2O H2 4 0.423800 1.0079 0 - 3043 H2O 343 H2O O1 6 -0.847600 15.9994 0 - 3044 H2O 343 H2O H1 4 0.423800 1.0079 0 - 3045 H2O 343 H2O H2 4 0.423800 1.0079 0 - 3046 H2O 344 H2O O1 6 -0.847600 15.9994 0 - 3047 H2O 344 H2O H1 4 0.423800 1.0079 0 - 3048 H2O 344 H2O H2 4 0.423800 1.0079 0 - 3049 H2O 345 H2O O1 6 -0.847600 15.9994 0 - 3050 H2O 345 H2O H1 4 0.423800 1.0079 0 - 3051 H2O 345 H2O H2 4 0.423800 1.0079 0 - 3052 H2O 346 H2O O1 6 -0.847600 15.9994 0 - 3053 H2O 346 H2O H1 4 0.423800 1.0079 0 - 3054 H2O 346 H2O H2 4 0.423800 1.0079 0 - 3055 H2O 347 H2O O1 6 -0.847600 15.9994 0 - 3056 H2O 347 H2O H1 4 0.423800 1.0079 0 - 3057 H2O 347 H2O H2 4 0.423800 1.0079 0 - 3058 H2O 348 H2O O1 6 -0.847600 15.9994 0 - 3059 H2O 348 H2O H1 4 0.423800 1.0079 0 - 3060 H2O 348 H2O H2 4 0.423800 1.0079 0 - 3061 H2O 349 H2O O1 6 -0.847600 15.9994 0 - 3062 H2O 349 H2O H1 4 0.423800 1.0079 0 - 3063 H2O 349 H2O H2 4 0.423800 1.0079 0 - 3064 H2O 350 H2O O1 6 -0.847600 15.9994 0 - 3065 H2O 350 H2O H1 4 0.423800 1.0079 0 - 3066 H2O 350 H2O H2 4 0.423800 1.0079 0 - 3067 H2O 351 H2O O1 6 -0.847600 15.9994 0 - 3068 H2O 351 H2O H1 4 0.423800 1.0079 0 - 3069 H2O 351 H2O H2 4 0.423800 1.0079 0 - 3070 H2O 352 H2O O1 6 -0.847600 15.9994 0 - 3071 H2O 352 H2O H1 4 0.423800 1.0079 0 - 3072 H2O 352 H2O H2 4 0.423800 1.0079 0 - 3073 H2O 353 H2O O1 6 -0.847600 15.9994 0 - 3074 H2O 353 H2O H1 4 0.423800 1.0079 0 - 3075 H2O 353 H2O H2 4 0.423800 1.0079 0 - 3076 H2O 354 H2O O1 6 -0.847600 15.9994 0 - 3077 H2O 354 H2O H1 4 0.423800 1.0079 0 - 3078 H2O 354 H2O H2 4 0.423800 1.0079 0 - 3079 H2O 355 H2O O1 6 -0.847600 15.9994 0 - 3080 H2O 355 H2O H1 4 0.423800 1.0079 0 - 3081 H2O 355 H2O H2 4 0.423800 1.0079 0 - 3082 H2O 356 H2O O1 6 -0.847600 15.9994 0 - 3083 H2O 356 H2O H1 4 0.423800 1.0079 0 - 3084 H2O 356 H2O H2 4 0.423800 1.0079 0 - 3085 H2O 357 H2O O1 6 -0.847600 15.9994 0 - 3086 H2O 357 H2O H1 4 0.423800 1.0079 0 - 3087 H2O 357 H2O H2 4 0.423800 1.0079 0 - 3088 H2O 358 H2O O1 6 -0.847600 15.9994 0 - 3089 H2O 358 H2O H1 4 0.423800 1.0079 0 - 3090 H2O 358 H2O H2 4 0.423800 1.0079 0 - 3091 H2O 359 H2O O1 6 -0.847600 15.9994 0 - 3092 H2O 359 H2O H1 4 0.423800 1.0079 0 - 3093 H2O 359 H2O H2 4 0.423800 1.0079 0 - 3094 H2O 360 H2O O1 6 -0.847600 15.9994 0 - 3095 H2O 360 H2O H1 4 0.423800 1.0079 0 - 3096 H2O 360 H2O H2 4 0.423800 1.0079 0 - 3097 H2O 361 H2O O1 6 -0.847600 15.9994 0 - 3098 H2O 361 H2O H1 4 0.423800 1.0079 0 - 3099 H2O 361 H2O H2 4 0.423800 1.0079 0 - 3100 H2O 362 H2O O1 6 -0.847600 15.9994 0 - 3101 H2O 362 H2O H1 4 0.423800 1.0079 0 - 3102 H2O 362 H2O H2 4 0.423800 1.0079 0 - 3103 H2O 363 H2O O1 6 -0.847600 15.9994 0 - 3104 H2O 363 H2O H1 4 0.423800 1.0079 0 - 3105 H2O 363 H2O H2 4 0.423800 1.0079 0 - 3106 H2O 364 H2O O1 6 -0.847600 15.9994 0 - 3107 H2O 364 H2O H1 4 0.423800 1.0079 0 - 3108 H2O 364 H2O H2 4 0.423800 1.0079 0 - 3109 H2O 365 H2O O1 6 -0.847600 15.9994 0 - 3110 H2O 365 H2O H1 4 0.423800 1.0079 0 - 3111 H2O 365 H2O H2 4 0.423800 1.0079 0 - 3112 H2O 366 H2O O1 6 -0.847600 15.9994 0 - 3113 H2O 366 H2O H1 4 0.423800 1.0079 0 - 3114 H2O 366 H2O H2 4 0.423800 1.0079 0 - 3115 H2O 367 H2O O1 6 -0.847600 15.9994 0 - 3116 H2O 367 H2O H1 4 0.423800 1.0079 0 - 3117 H2O 367 H2O H2 4 0.423800 1.0079 0 - 3118 H2O 368 H2O O1 6 -0.847600 15.9994 0 - 3119 H2O 368 H2O H1 4 0.423800 1.0079 0 - 3120 H2O 368 H2O H2 4 0.423800 1.0079 0 - 3121 H2O 369 H2O O1 6 -0.847600 15.9994 0 - 3122 H2O 369 H2O H1 4 0.423800 1.0079 0 - 3123 H2O 369 H2O H2 4 0.423800 1.0079 0 - 3124 H2O 370 H2O O1 6 -0.847600 15.9994 0 - 3125 H2O 370 H2O H1 4 0.423800 1.0079 0 - 3126 H2O 370 H2O H2 4 0.423800 1.0079 0 - 3127 H2O 371 H2O O1 6 -0.847600 15.9994 0 - 3128 H2O 371 H2O H1 4 0.423800 1.0079 0 - 3129 H2O 371 H2O H2 4 0.423800 1.0079 0 - 3130 H2O 372 H2O O1 6 -0.847600 15.9994 0 - 3131 H2O 372 H2O H1 4 0.423800 1.0079 0 - 3132 H2O 372 H2O H2 4 0.423800 1.0079 0 - 3133 H2O 373 H2O O1 6 -0.847600 15.9994 0 - 3134 H2O 373 H2O H1 4 0.423800 1.0079 0 - 3135 H2O 373 H2O H2 4 0.423800 1.0079 0 - 3136 H2O 374 H2O O1 6 -0.847600 15.9994 0 - 3137 H2O 374 H2O H1 4 0.423800 1.0079 0 - 3138 H2O 374 H2O H2 4 0.423800 1.0079 0 - 3139 H2O 375 H2O O1 6 -0.847600 15.9994 0 - 3140 H2O 375 H2O H1 4 0.423800 1.0079 0 - 3141 H2O 375 H2O H2 4 0.423800 1.0079 0 - 3142 H2O 376 H2O O1 6 -0.847600 15.9994 0 - 3143 H2O 376 H2O H1 4 0.423800 1.0079 0 - 3144 H2O 376 H2O H2 4 0.423800 1.0079 0 - 3145 H2O 377 H2O O1 6 -0.847600 15.9994 0 - 3146 H2O 377 H2O H1 4 0.423800 1.0079 0 - 3147 H2O 377 H2O H2 4 0.423800 1.0079 0 - 3148 H2O 378 H2O O1 6 -0.847600 15.9994 0 - 3149 H2O 378 H2O H1 4 0.423800 1.0079 0 - 3150 H2O 378 H2O H2 4 0.423800 1.0079 0 - 3151 H2O 379 H2O O1 6 -0.847600 15.9994 0 - 3152 H2O 379 H2O H1 4 0.423800 1.0079 0 - 3153 H2O 379 H2O H2 4 0.423800 1.0079 0 - 3154 H2O 380 H2O O1 6 -0.847600 15.9994 0 - 3155 H2O 380 H2O H1 4 0.423800 1.0079 0 - 3156 H2O 380 H2O H2 4 0.423800 1.0079 0 - 3157 H2O 381 H2O O1 6 -0.847600 15.9994 0 - 3158 H2O 381 H2O H1 4 0.423800 1.0079 0 - 3159 H2O 381 H2O H2 4 0.423800 1.0079 0 - 3160 H2O 382 H2O O1 6 -0.847600 15.9994 0 - 3161 H2O 382 H2O H1 4 0.423800 1.0079 0 - 3162 H2O 382 H2O H2 4 0.423800 1.0079 0 - 3163 H2O 383 H2O O1 6 -0.847600 15.9994 0 - 3164 H2O 383 H2O H1 4 0.423800 1.0079 0 - 3165 H2O 383 H2O H2 4 0.423800 1.0079 0 - 3166 H2O 384 H2O O1 6 -0.847600 15.9994 0 - 3167 H2O 384 H2O H1 4 0.423800 1.0079 0 - 3168 H2O 384 H2O H2 4 0.423800 1.0079 0 - 3169 H2O 385 H2O O1 6 -0.847600 15.9994 0 - 3170 H2O 385 H2O H1 4 0.423800 1.0079 0 - 3171 H2O 385 H2O H2 4 0.423800 1.0079 0 - 3172 H2O 386 H2O O1 6 -0.847600 15.9994 0 - 3173 H2O 386 H2O H1 4 0.423800 1.0079 0 - 3174 H2O 386 H2O H2 4 0.423800 1.0079 0 - 3175 H2O 387 H2O O1 6 -0.847600 15.9994 0 - 3176 H2O 387 H2O H1 4 0.423800 1.0079 0 - 3177 H2O 387 H2O H2 4 0.423800 1.0079 0 - 3178 H2O 388 H2O O1 6 -0.847600 15.9994 0 - 3179 H2O 388 H2O H1 4 0.423800 1.0079 0 - 3180 H2O 388 H2O H2 4 0.423800 1.0079 0 - 3181 H2O 389 H2O O1 6 -0.847600 15.9994 0 - 3182 H2O 389 H2O H1 4 0.423800 1.0079 0 - 3183 H2O 389 H2O H2 4 0.423800 1.0079 0 - 3184 H2O 390 H2O O1 6 -0.847600 15.9994 0 - 3185 H2O 390 H2O H1 4 0.423800 1.0079 0 - 3186 H2O 390 H2O H2 4 0.423800 1.0079 0 - 3187 H2O 391 H2O O1 6 -0.847600 15.9994 0 - 3188 H2O 391 H2O H1 4 0.423800 1.0079 0 - 3189 H2O 391 H2O H2 4 0.423800 1.0079 0 - 3190 H2O 392 H2O O1 6 -0.847600 15.9994 0 - 3191 H2O 392 H2O H1 4 0.423800 1.0079 0 - 3192 H2O 392 H2O H2 4 0.423800 1.0079 0 - 3193 H2O 393 H2O O1 6 -0.847600 15.9994 0 - 3194 H2O 393 H2O H1 4 0.423800 1.0079 0 - 3195 H2O 393 H2O H2 4 0.423800 1.0079 0 - 3196 H2O 394 H2O O1 6 -0.847600 15.9994 0 - 3197 H2O 394 H2O H1 4 0.423800 1.0079 0 - 3198 H2O 394 H2O H2 4 0.423800 1.0079 0 - 3199 H2O 395 H2O O1 6 -0.847600 15.9994 0 - 3200 H2O 395 H2O H1 4 0.423800 1.0079 0 - 3201 H2O 395 H2O H2 4 0.423800 1.0079 0 - 3202 H2O 396 H2O O1 6 -0.847600 15.9994 0 - 3203 H2O 396 H2O H1 4 0.423800 1.0079 0 - 3204 H2O 396 H2O H2 4 0.423800 1.0079 0 - 3205 H2O 397 H2O O1 6 -0.847600 15.9994 0 - 3206 H2O 397 H2O H1 4 0.423800 1.0079 0 - 3207 H2O 397 H2O H2 4 0.423800 1.0079 0 - 3208 H2O 398 H2O O1 6 -0.847600 15.9994 0 - 3209 H2O 398 H2O H1 4 0.423800 1.0079 0 - 3210 H2O 398 H2O H2 4 0.423800 1.0079 0 - 3211 H2O 399 H2O O1 6 -0.847600 15.9994 0 - 3212 H2O 399 H2O H1 4 0.423800 1.0079 0 - 3213 H2O 399 H2O H2 4 0.423800 1.0079 0 - 3214 H2O 400 H2O O1 6 -0.847600 15.9994 0 - 3215 H2O 400 H2O H1 4 0.423800 1.0079 0 - 3216 H2O 400 H2O H2 4 0.423800 1.0079 0 - 3217 H2O 401 H2O O1 6 -0.847600 15.9994 0 - 3218 H2O 401 H2O H1 4 0.423800 1.0079 0 - 3219 H2O 401 H2O H2 4 0.423800 1.0079 0 - 3220 H2O 402 H2O O1 6 -0.847600 15.9994 0 - 3221 H2O 402 H2O H1 4 0.423800 1.0079 0 - 3222 H2O 402 H2O H2 4 0.423800 1.0079 0 - 3223 H2O 403 H2O O1 6 -0.847600 15.9994 0 - 3224 H2O 403 H2O H1 4 0.423800 1.0079 0 - 3225 H2O 403 H2O H2 4 0.423800 1.0079 0 - 3226 H2O 404 H2O O1 6 -0.847600 15.9994 0 - 3227 H2O 404 H2O H1 4 0.423800 1.0079 0 - 3228 H2O 404 H2O H2 4 0.423800 1.0079 0 - 3229 H2O 405 H2O O1 6 -0.847600 15.9994 0 - 3230 H2O 405 H2O H1 4 0.423800 1.0079 0 - 3231 H2O 405 H2O H2 4 0.423800 1.0079 0 - 3232 H2O 406 H2O O1 6 -0.847600 15.9994 0 - 3233 H2O 406 H2O H1 4 0.423800 1.0079 0 - 3234 H2O 406 H2O H2 4 0.423800 1.0079 0 - 3235 H2O 407 H2O O1 6 -0.847600 15.9994 0 - 3236 H2O 407 H2O H1 4 0.423800 1.0079 0 - 3237 H2O 407 H2O H2 4 0.423800 1.0079 0 - 3238 H2O 408 H2O O1 6 -0.847600 15.9994 0 - 3239 H2O 408 H2O H1 4 0.423800 1.0079 0 - 3240 H2O 408 H2O H2 4 0.423800 1.0079 0 - 3241 H2O 409 H2O O1 6 -0.847600 15.9994 0 - 3242 H2O 409 H2O H1 4 0.423800 1.0079 0 - 3243 H2O 409 H2O H2 4 0.423800 1.0079 0 - 3244 H2O 410 H2O O1 6 -0.847600 15.9994 0 - 3245 H2O 410 H2O H1 4 0.423800 1.0079 0 - 3246 H2O 410 H2O H2 4 0.423800 1.0079 0 - 3247 H2O 411 H2O O1 6 -0.847600 15.9994 0 - 3248 H2O 411 H2O H1 4 0.423800 1.0079 0 - 3249 H2O 411 H2O H2 4 0.423800 1.0079 0 - 3250 H2O 412 H2O O1 6 -0.847600 15.9994 0 - 3251 H2O 412 H2O H1 4 0.423800 1.0079 0 - 3252 H2O 412 H2O H2 4 0.423800 1.0079 0 - 3253 H2O 413 H2O O1 6 -0.847600 15.9994 0 - 3254 H2O 413 H2O H1 4 0.423800 1.0079 0 - 3255 H2O 413 H2O H2 4 0.423800 1.0079 0 - 3256 H2O 414 H2O O1 6 -0.847600 15.9994 0 - 3257 H2O 414 H2O H1 4 0.423800 1.0079 0 - 3258 H2O 414 H2O H2 4 0.423800 1.0079 0 - 3259 H2O 415 H2O O1 6 -0.847600 15.9994 0 - 3260 H2O 415 H2O H1 4 0.423800 1.0079 0 - 3261 H2O 415 H2O H2 4 0.423800 1.0079 0 - 3262 H2O 416 H2O O1 6 -0.847600 15.9994 0 - 3263 H2O 416 H2O H1 4 0.423800 1.0079 0 - 3264 H2O 416 H2O H2 4 0.423800 1.0079 0 - 3265 H2O 417 H2O O1 6 -0.847600 15.9994 0 - 3266 H2O 417 H2O H1 4 0.423800 1.0079 0 - 3267 H2O 417 H2O H2 4 0.423800 1.0079 0 - 3268 H2O 418 H2O O1 6 -0.847600 15.9994 0 - 3269 H2O 418 H2O H1 4 0.423800 1.0079 0 - 3270 H2O 418 H2O H2 4 0.423800 1.0079 0 - 3271 H2O 419 H2O O1 6 -0.847600 15.9994 0 - 3272 H2O 419 H2O H1 4 0.423800 1.0079 0 - 3273 H2O 419 H2O H2 4 0.423800 1.0079 0 - 3274 H2O 420 H2O O1 6 -0.847600 15.9994 0 - 3275 H2O 420 H2O H1 4 0.423800 1.0079 0 - 3276 H2O 420 H2O H2 4 0.423800 1.0079 0 - 3277 H2O 421 H2O O1 6 -0.847600 15.9994 0 - 3278 H2O 421 H2O H1 4 0.423800 1.0079 0 - 3279 H2O 421 H2O H2 4 0.423800 1.0079 0 - 3280 H2O 422 H2O O1 6 -0.847600 15.9994 0 - 3281 H2O 422 H2O H1 4 0.423800 1.0079 0 - 3282 H2O 422 H2O H2 4 0.423800 1.0079 0 - 3283 H2O 423 H2O O1 6 -0.847600 15.9994 0 - 3284 H2O 423 H2O H1 4 0.423800 1.0079 0 - 3285 H2O 423 H2O H2 4 0.423800 1.0079 0 - 3286 H2O 424 H2O O1 6 -0.847600 15.9994 0 - 3287 H2O 424 H2O H1 4 0.423800 1.0079 0 - 3288 H2O 424 H2O H2 4 0.423800 1.0079 0 - 3289 H2O 425 H2O O1 6 -0.847600 15.9994 0 - 3290 H2O 425 H2O H1 4 0.423800 1.0079 0 - 3291 H2O 425 H2O H2 4 0.423800 1.0079 0 - 3292 H2O 426 H2O O1 6 -0.847600 15.9994 0 - 3293 H2O 426 H2O H1 4 0.423800 1.0079 0 - 3294 H2O 426 H2O H2 4 0.423800 1.0079 0 - 3295 H2O 427 H2O O1 6 -0.847600 15.9994 0 - 3296 H2O 427 H2O H1 4 0.423800 1.0079 0 - 3297 H2O 427 H2O H2 4 0.423800 1.0079 0 - 3298 H2O 428 H2O O1 6 -0.847600 15.9994 0 - 3299 H2O 428 H2O H1 4 0.423800 1.0079 0 - 3300 H2O 428 H2O H2 4 0.423800 1.0079 0 - 3301 H2O 429 H2O O1 6 -0.847600 15.9994 0 - 3302 H2O 429 H2O H1 4 0.423800 1.0079 0 - 3303 H2O 429 H2O H2 4 0.423800 1.0079 0 - 3304 H2O 430 H2O O1 6 -0.847600 15.9994 0 - 3305 H2O 430 H2O H1 4 0.423800 1.0079 0 - 3306 H2O 430 H2O H2 4 0.423800 1.0079 0 - 3307 H2O 431 H2O O1 6 -0.847600 15.9994 0 - 3308 H2O 431 H2O H1 4 0.423800 1.0079 0 - 3309 H2O 431 H2O H2 4 0.423800 1.0079 0 - 3310 H2O 432 H2O O1 6 -0.847600 15.9994 0 - 3311 H2O 432 H2O H1 4 0.423800 1.0079 0 - 3312 H2O 432 H2O H2 4 0.423800 1.0079 0 - 3313 H2O 433 H2O O1 6 -0.847600 15.9994 0 - 3314 H2O 433 H2O H1 4 0.423800 1.0079 0 - 3315 H2O 433 H2O H2 4 0.423800 1.0079 0 - 3316 H2O 434 H2O O1 6 -0.847600 15.9994 0 - 3317 H2O 434 H2O H1 4 0.423800 1.0079 0 - 3318 H2O 434 H2O H2 4 0.423800 1.0079 0 - 3319 H2O 435 H2O O1 6 -0.847600 15.9994 0 - 3320 H2O 435 H2O H1 4 0.423800 1.0079 0 - 3321 H2O 435 H2O H2 4 0.423800 1.0079 0 - 3322 H2O 436 H2O O1 6 -0.847600 15.9994 0 - 3323 H2O 436 H2O H1 4 0.423800 1.0079 0 - 3324 H2O 436 H2O H2 4 0.423800 1.0079 0 - 3325 H2O 437 H2O O1 6 -0.847600 15.9994 0 - 3326 H2O 437 H2O H1 4 0.423800 1.0079 0 - 3327 H2O 437 H2O H2 4 0.423800 1.0079 0 - 3328 H2O 438 H2O O1 6 -0.847600 15.9994 0 - 3329 H2O 438 H2O H1 4 0.423800 1.0079 0 - 3330 H2O 438 H2O H2 4 0.423800 1.0079 0 - 3331 H2O 439 H2O O1 6 -0.847600 15.9994 0 - 3332 H2O 439 H2O H1 4 0.423800 1.0079 0 - 3333 H2O 439 H2O H2 4 0.423800 1.0079 0 - 3334 H2O 440 H2O O1 6 -0.847600 15.9994 0 - 3335 H2O 440 H2O H1 4 0.423800 1.0079 0 - 3336 H2O 440 H2O H2 4 0.423800 1.0079 0 - 3337 H2O 441 H2O O1 6 -0.847600 15.9994 0 - 3338 H2O 441 H2O H1 4 0.423800 1.0079 0 - 3339 H2O 441 H2O H2 4 0.423800 1.0079 0 - 3340 H2O 442 H2O O1 6 -0.847600 15.9994 0 - 3341 H2O 442 H2O H1 4 0.423800 1.0079 0 - 3342 H2O 442 H2O H2 4 0.423800 1.0079 0 - 3343 H2O 443 H2O O1 6 -0.847600 15.9994 0 - 3344 H2O 443 H2O H1 4 0.423800 1.0079 0 - 3345 H2O 443 H2O H2 4 0.423800 1.0079 0 - 3346 H2O 444 H2O O1 6 -0.847600 15.9994 0 - 3347 H2O 444 H2O H1 4 0.423800 1.0079 0 - 3348 H2O 444 H2O H2 4 0.423800 1.0079 0 - 3349 H2O 445 H2O O1 6 -0.847600 15.9994 0 - 3350 H2O 445 H2O H1 4 0.423800 1.0079 0 - 3351 H2O 445 H2O H2 4 0.423800 1.0079 0 - 3352 H2O 446 H2O O1 6 -0.847600 15.9994 0 - 3353 H2O 446 H2O H1 4 0.423800 1.0079 0 - 3354 H2O 446 H2O H2 4 0.423800 1.0079 0 - 3355 H2O 447 H2O O1 6 -0.847600 15.9994 0 - 3356 H2O 447 H2O H1 4 0.423800 1.0079 0 - 3357 H2O 447 H2O H2 4 0.423800 1.0079 0 - 3358 H2O 448 H2O O1 6 -0.847600 15.9994 0 - 3359 H2O 448 H2O H1 4 0.423800 1.0079 0 - 3360 H2O 448 H2O H2 4 0.423800 1.0079 0 - 3361 H2O 449 H2O O1 6 -0.847600 15.9994 0 - 3362 H2O 449 H2O H1 4 0.423800 1.0079 0 - 3363 H2O 449 H2O H2 4 0.423800 1.0079 0 - 3364 H2O 450 H2O O1 6 -0.847600 15.9994 0 - 3365 H2O 450 H2O H1 4 0.423800 1.0079 0 - 3366 H2O 450 H2O H2 4 0.423800 1.0079 0 - 3367 H2O 451 H2O O1 6 -0.847600 15.9994 0 - 3368 H2O 451 H2O H1 4 0.423800 1.0079 0 - 3369 H2O 451 H2O H2 4 0.423800 1.0079 0 - 3370 H2O 452 H2O O1 6 -0.847600 15.9994 0 - 3371 H2O 452 H2O H1 4 0.423800 1.0079 0 - 3372 H2O 452 H2O H2 4 0.423800 1.0079 0 - 3373 H2O 453 H2O O1 6 -0.847600 15.9994 0 - 3374 H2O 453 H2O H1 4 0.423800 1.0079 0 - 3375 H2O 453 H2O H2 4 0.423800 1.0079 0 - 3376 H2O 454 H2O O1 6 -0.847600 15.9994 0 - 3377 H2O 454 H2O H1 4 0.423800 1.0079 0 - 3378 H2O 454 H2O H2 4 0.423800 1.0079 0 - 3379 H2O 455 H2O O1 6 -0.847600 15.9994 0 - 3380 H2O 455 H2O H1 4 0.423800 1.0079 0 - 3381 H2O 455 H2O H2 4 0.423800 1.0079 0 - 3382 H2O 456 H2O O1 6 -0.847600 15.9994 0 - 3383 H2O 456 H2O H1 4 0.423800 1.0079 0 - 3384 H2O 456 H2O H2 4 0.423800 1.0079 0 - 3385 H2O 457 H2O O1 6 -0.847600 15.9994 0 - 3386 H2O 457 H2O H1 4 0.423800 1.0079 0 - 3387 H2O 457 H2O H2 4 0.423800 1.0079 0 - 3388 H2O 458 H2O O1 6 -0.847600 15.9994 0 - 3389 H2O 458 H2O H1 4 0.423800 1.0079 0 - 3390 H2O 458 H2O H2 4 0.423800 1.0079 0 - 3391 H2O 459 H2O O1 6 -0.847600 15.9994 0 - 3392 H2O 459 H2O H1 4 0.423800 1.0079 0 - 3393 H2O 459 H2O H2 4 0.423800 1.0079 0 - 3394 H2O 460 H2O O1 6 -0.847600 15.9994 0 - 3395 H2O 460 H2O H1 4 0.423800 1.0079 0 - 3396 H2O 460 H2O H2 4 0.423800 1.0079 0 - 3397 H2O 461 H2O O1 6 -0.847600 15.9994 0 - 3398 H2O 461 H2O H1 4 0.423800 1.0079 0 - 3399 H2O 461 H2O H2 4 0.423800 1.0079 0 - 3400 H2O 462 H2O O1 6 -0.847600 15.9994 0 - 3401 H2O 462 H2O H1 4 0.423800 1.0079 0 - 3402 H2O 462 H2O H2 4 0.423800 1.0079 0 - 3403 H2O 463 H2O O1 6 -0.847600 15.9994 0 - 3404 H2O 463 H2O H1 4 0.423800 1.0079 0 - 3405 H2O 463 H2O H2 4 0.423800 1.0079 0 - 3406 H2O 464 H2O O1 6 -0.847600 15.9994 0 - 3407 H2O 464 H2O H1 4 0.423800 1.0079 0 - 3408 H2O 464 H2O H2 4 0.423800 1.0079 0 - 3409 H2O 465 H2O O1 6 -0.847600 15.9994 0 - 3410 H2O 465 H2O H1 4 0.423800 1.0079 0 - 3411 H2O 465 H2O H2 4 0.423800 1.0079 0 - 3412 H2O 466 H2O O1 6 -0.847600 15.9994 0 - 3413 H2O 466 H2O H1 4 0.423800 1.0079 0 - 3414 H2O 466 H2O H2 4 0.423800 1.0079 0 - 3415 H2O 467 H2O O1 6 -0.847600 15.9994 0 - 3416 H2O 467 H2O H1 4 0.423800 1.0079 0 - 3417 H2O 467 H2O H2 4 0.423800 1.0079 0 - 3418 H2O 468 H2O O1 6 -0.847600 15.9994 0 - 3419 H2O 468 H2O H1 4 0.423800 1.0079 0 - 3420 H2O 468 H2O H2 4 0.423800 1.0079 0 - 3421 H2O 469 H2O O1 6 -0.847600 15.9994 0 - 3422 H2O 469 H2O H1 4 0.423800 1.0079 0 - 3423 H2O 469 H2O H2 4 0.423800 1.0079 0 - 3424 H2O 470 H2O O1 6 -0.847600 15.9994 0 - 3425 H2O 470 H2O H1 4 0.423800 1.0079 0 - 3426 H2O 470 H2O H2 4 0.423800 1.0079 0 - 3427 H2O 471 H2O O1 6 -0.847600 15.9994 0 - 3428 H2O 471 H2O H1 4 0.423800 1.0079 0 - 3429 H2O 471 H2O H2 4 0.423800 1.0079 0 - 3430 H2O 472 H2O O1 6 -0.847600 15.9994 0 - 3431 H2O 472 H2O H1 4 0.423800 1.0079 0 - 3432 H2O 472 H2O H2 4 0.423800 1.0079 0 - 3433 H2O 473 H2O O1 6 -0.847600 15.9994 0 - 3434 H2O 473 H2O H1 4 0.423800 1.0079 0 - 3435 H2O 473 H2O H2 4 0.423800 1.0079 0 - 3436 H2O 474 H2O O1 6 -0.847600 15.9994 0 - 3437 H2O 474 H2O H1 4 0.423800 1.0079 0 - 3438 H2O 474 H2O H2 4 0.423800 1.0079 0 - 3439 H2O 475 H2O O1 6 -0.847600 15.9994 0 - 3440 H2O 475 H2O H1 4 0.423800 1.0079 0 - 3441 H2O 475 H2O H2 4 0.423800 1.0079 0 - 3442 H2O 476 H2O O1 6 -0.847600 15.9994 0 - 3443 H2O 476 H2O H1 4 0.423800 1.0079 0 - 3444 H2O 476 H2O H2 4 0.423800 1.0079 0 - 3445 H2O 477 H2O O1 6 -0.847600 15.9994 0 - 3446 H2O 477 H2O H1 4 0.423800 1.0079 0 - 3447 H2O 477 H2O H2 4 0.423800 1.0079 0 - 3448 H2O 478 H2O O1 6 -0.847600 15.9994 0 - 3449 H2O 478 H2O H1 4 0.423800 1.0079 0 - 3450 H2O 478 H2O H2 4 0.423800 1.0079 0 - 3451 H2O 479 H2O O1 6 -0.847600 15.9994 0 - 3452 H2O 479 H2O H1 4 0.423800 1.0079 0 - 3453 H2O 479 H2O H2 4 0.423800 1.0079 0 - 3454 H2O 480 H2O O1 6 -0.847600 15.9994 0 - 3455 H2O 480 H2O H1 4 0.423800 1.0079 0 - 3456 H2O 480 H2O H2 4 0.423800 1.0079 0 - 3457 H2O 481 H2O O1 6 -0.847600 15.9994 0 - 3458 H2O 481 H2O H1 4 0.423800 1.0079 0 - 3459 H2O 481 H2O H2 4 0.423800 1.0079 0 - 3460 H2O 482 H2O O1 6 -0.847600 15.9994 0 - 3461 H2O 482 H2O H1 4 0.423800 1.0079 0 - 3462 H2O 482 H2O H2 4 0.423800 1.0079 0 - 3463 H2O 483 H2O O1 6 -0.847600 15.9994 0 - 3464 H2O 483 H2O H1 4 0.423800 1.0079 0 - 3465 H2O 483 H2O H2 4 0.423800 1.0079 0 - 3466 H2O 484 H2O O1 6 -0.847600 15.9994 0 - 3467 H2O 484 H2O H1 4 0.423800 1.0079 0 - 3468 H2O 484 H2O H2 4 0.423800 1.0079 0 - 3469 H2O 485 H2O O1 6 -0.847600 15.9994 0 - 3470 H2O 485 H2O H1 4 0.423800 1.0079 0 - 3471 H2O 485 H2O H2 4 0.423800 1.0079 0 - 3472 H2O 486 H2O O1 6 -0.847600 15.9994 0 - 3473 H2O 486 H2O H1 4 0.423800 1.0079 0 - 3474 H2O 486 H2O H2 4 0.423800 1.0079 0 - 3475 H2O 487 H2O O1 6 -0.847600 15.9994 0 - 3476 H2O 487 H2O H1 4 0.423800 1.0079 0 - 3477 H2O 487 H2O H2 4 0.423800 1.0079 0 - 3478 H2O 488 H2O O1 6 -0.847600 15.9994 0 - 3479 H2O 488 H2O H1 4 0.423800 1.0079 0 - 3480 H2O 488 H2O H2 4 0.423800 1.0079 0 - 3481 H2O 489 H2O O1 6 -0.847600 15.9994 0 - 3482 H2O 489 H2O H1 4 0.423800 1.0079 0 - 3483 H2O 489 H2O H2 4 0.423800 1.0079 0 - 3484 H2O 490 H2O O1 6 -0.847600 15.9994 0 - 3485 H2O 490 H2O H1 4 0.423800 1.0079 0 - 3486 H2O 490 H2O H2 4 0.423800 1.0079 0 - 3487 H2O 491 H2O O1 6 -0.847600 15.9994 0 - 3488 H2O 491 H2O H1 4 0.423800 1.0079 0 - 3489 H2O 491 H2O H2 4 0.423800 1.0079 0 - 3490 H2O 492 H2O O1 6 -0.847600 15.9994 0 - 3491 H2O 492 H2O H1 4 0.423800 1.0079 0 - 3492 H2O 492 H2O H2 4 0.423800 1.0079 0 - 3493 H2O 493 H2O O1 6 -0.847600 15.9994 0 - 3494 H2O 493 H2O H1 4 0.423800 1.0079 0 - 3495 H2O 493 H2O H2 4 0.423800 1.0079 0 - 3496 H2O 494 H2O O1 6 -0.847600 15.9994 0 - 3497 H2O 494 H2O H1 4 0.423800 1.0079 0 - 3498 H2O 494 H2O H2 4 0.423800 1.0079 0 - 3499 H2O 495 H2O O1 6 -0.847600 15.9994 0 - 3500 H2O 495 H2O H1 4 0.423800 1.0079 0 - 3501 H2O 495 H2O H2 4 0.423800 1.0079 0 - 3502 H2O 496 H2O O1 6 -0.847600 15.9994 0 - 3503 H2O 496 H2O H1 4 0.423800 1.0079 0 - 3504 H2O 496 H2O H2 4 0.423800 1.0079 0 - 3505 H2O 497 H2O O1 6 -0.847600 15.9994 0 - 3506 H2O 497 H2O H1 4 0.423800 1.0079 0 - 3507 H2O 497 H2O H2 4 0.423800 1.0079 0 - 3508 H2O 498 H2O O1 6 -0.847600 15.9994 0 - 3509 H2O 498 H2O H1 4 0.423800 1.0079 0 - 3510 H2O 498 H2O H2 4 0.423800 1.0079 0 - 3511 H2O 499 H2O O1 6 -0.847600 15.9994 0 - 3512 H2O 499 H2O H1 4 0.423800 1.0079 0 - 3513 H2O 499 H2O H2 4 0.423800 1.0079 0 - 3514 H2O 500 H2O O1 6 -0.847600 15.9994 0 - 3515 H2O 500 H2O H1 4 0.423800 1.0079 0 - 3516 H2O 500 H2O H2 4 0.423800 1.0079 0 - 3517 H2O 501 H2O O1 6 -0.847600 15.9994 0 - 3518 H2O 501 H2O H1 4 0.423800 1.0079 0 - 3519 H2O 501 H2O H2 4 0.423800 1.0079 0 - 3520 H2O 502 H2O O1 6 -0.847600 15.9994 0 - 3521 H2O 502 H2O H1 4 0.423800 1.0079 0 - 3522 H2O 502 H2O H2 4 0.423800 1.0079 0 - 3523 H2O 503 H2O O1 6 -0.847600 15.9994 0 - 3524 H2O 503 H2O H1 4 0.423800 1.0079 0 - 3525 H2O 503 H2O H2 4 0.423800 1.0079 0 - 3526 H2O 504 H2O O1 6 -0.847600 15.9994 0 - 3527 H2O 504 H2O H1 4 0.423800 1.0079 0 - 3528 H2O 504 H2O H2 4 0.423800 1.0079 0 - 3529 H2O 505 H2O O1 6 -0.847600 15.9994 0 - 3530 H2O 505 H2O H1 4 0.423800 1.0079 0 - 3531 H2O 505 H2O H2 4 0.423800 1.0079 0 - 3532 H2O 506 H2O O1 6 -0.847600 15.9994 0 - 3533 H2O 506 H2O H1 4 0.423800 1.0079 0 - 3534 H2O 506 H2O H2 4 0.423800 1.0079 0 - 3535 H2O 507 H2O O1 6 -0.847600 15.9994 0 - 3536 H2O 507 H2O H1 4 0.423800 1.0079 0 - 3537 H2O 507 H2O H2 4 0.423800 1.0079 0 - 3538 H2O 508 H2O O1 6 -0.847600 15.9994 0 - 3539 H2O 508 H2O H1 4 0.423800 1.0079 0 - 3540 H2O 508 H2O H2 4 0.423800 1.0079 0 - 3541 H2O 509 H2O O1 6 -0.847600 15.9994 0 - 3542 H2O 509 H2O H1 4 0.423800 1.0079 0 - 3543 H2O 509 H2O H2 4 0.423800 1.0079 0 - 3544 H2O 510 H2O O1 6 -0.847600 15.9994 0 - 3545 H2O 510 H2O H1 4 0.423800 1.0079 0 - 3546 H2O 510 H2O H2 4 0.423800 1.0079 0 - 3547 H2O 511 H2O O1 6 -0.847600 15.9994 0 - 3548 H2O 511 H2O H1 4 0.423800 1.0079 0 - 3549 H2O 511 H2O H2 4 0.423800 1.0079 0 - 3550 H2O 512 H2O O1 6 -0.847600 15.9994 0 - 3551 H2O 512 H2O H1 4 0.423800 1.0079 0 - 3552 H2O 512 H2O H2 4 0.423800 1.0079 0 - 3553 H2O 513 H2O O1 6 -0.847600 15.9994 0 - 3554 H2O 513 H2O H1 4 0.423800 1.0079 0 - 3555 H2O 513 H2O H2 4 0.423800 1.0079 0 - 3556 H2O 514 H2O O1 6 -0.847600 15.9994 0 - 3557 H2O 514 H2O H1 4 0.423800 1.0079 0 - 3558 H2O 514 H2O H2 4 0.423800 1.0079 0 - 3559 H2O 515 H2O O1 6 -0.847600 15.9994 0 - 3560 H2O 515 H2O H1 4 0.423800 1.0079 0 - 3561 H2O 515 H2O H2 4 0.423800 1.0079 0 - 3562 H2O 516 H2O O1 6 -0.847600 15.9994 0 - 3563 H2O 516 H2O H1 4 0.423800 1.0079 0 - 3564 H2O 516 H2O H2 4 0.423800 1.0079 0 - 3565 H2O 517 H2O O1 6 -0.847600 15.9994 0 - 3566 H2O 517 H2O H1 4 0.423800 1.0079 0 - 3567 H2O 517 H2O H2 4 0.423800 1.0079 0 - 3568 H2O 518 H2O O1 6 -0.847600 15.9994 0 - 3569 H2O 518 H2O H1 4 0.423800 1.0079 0 - 3570 H2O 518 H2O H2 4 0.423800 1.0079 0 - 3571 H2O 519 H2O O1 6 -0.847600 15.9994 0 - 3572 H2O 519 H2O H1 4 0.423800 1.0079 0 - 3573 H2O 519 H2O H2 4 0.423800 1.0079 0 - 3574 H2O 520 H2O O1 6 -0.847600 15.9994 0 - 3575 H2O 520 H2O H1 4 0.423800 1.0079 0 - 3576 H2O 520 H2O H2 4 0.423800 1.0079 0 - 3577 H2O 521 H2O O1 6 -0.847600 15.9994 0 - 3578 H2O 521 H2O H1 4 0.423800 1.0079 0 - 3579 H2O 521 H2O H2 4 0.423800 1.0079 0 - 3580 H2O 522 H2O O1 6 -0.847600 15.9994 0 - 3581 H2O 522 H2O H1 4 0.423800 1.0079 0 - 3582 H2O 522 H2O H2 4 0.423800 1.0079 0 - 3583 H2O 523 H2O O1 6 -0.847600 15.9994 0 - 3584 H2O 523 H2O H1 4 0.423800 1.0079 0 - 3585 H2O 523 H2O H2 4 0.423800 1.0079 0 - 3586 H2O 524 H2O O1 6 -0.847600 15.9994 0 - 3587 H2O 524 H2O H1 4 0.423800 1.0079 0 - 3588 H2O 524 H2O H2 4 0.423800 1.0079 0 - 3589 H2O 525 H2O O1 6 -0.847600 15.9994 0 - 3590 H2O 525 H2O H1 4 0.423800 1.0079 0 - 3591 H2O 525 H2O H2 4 0.423800 1.0079 0 - 3592 H2O 526 H2O O1 6 -0.847600 15.9994 0 - 3593 H2O 526 H2O H1 4 0.423800 1.0079 0 - 3594 H2O 526 H2O H2 4 0.423800 1.0079 0 - 3595 H2O 527 H2O O1 6 -0.847600 15.9994 0 - 3596 H2O 527 H2O H1 4 0.423800 1.0079 0 - 3597 H2O 527 H2O H2 4 0.423800 1.0079 0 - 3598 H2O 528 H2O O1 6 -0.847600 15.9994 0 - 3599 H2O 528 H2O H1 4 0.423800 1.0079 0 - 3600 H2O 528 H2O H2 4 0.423800 1.0079 0 - 3601 H2O 529 H2O O1 6 -0.847600 15.9994 0 - 3602 H2O 529 H2O H1 4 0.423800 1.0079 0 - 3603 H2O 529 H2O H2 4 0.423800 1.0079 0 - 3604 H2O 530 H2O O1 6 -0.847600 15.9994 0 - 3605 H2O 530 H2O H1 4 0.423800 1.0079 0 - 3606 H2O 530 H2O H2 4 0.423800 1.0079 0 - 3607 H2O 531 H2O O1 6 -0.847600 15.9994 0 - 3608 H2O 531 H2O H1 4 0.423800 1.0079 0 - 3609 H2O 531 H2O H2 4 0.423800 1.0079 0 - 3610 H2O 532 H2O O1 6 -0.847600 15.9994 0 - 3611 H2O 532 H2O H1 4 0.423800 1.0079 0 - 3612 H2O 532 H2O H2 4 0.423800 1.0079 0 - 3613 H2O 533 H2O O1 6 -0.847600 15.9994 0 - 3614 H2O 533 H2O H1 4 0.423800 1.0079 0 - 3615 H2O 533 H2O H2 4 0.423800 1.0079 0 - 3616 H2O 534 H2O O1 6 -0.847600 15.9994 0 - 3617 H2O 534 H2O H1 4 0.423800 1.0079 0 - 3618 H2O 534 H2O H2 4 0.423800 1.0079 0 - 3619 H2O 535 H2O O1 6 -0.847600 15.9994 0 - 3620 H2O 535 H2O H1 4 0.423800 1.0079 0 - 3621 H2O 535 H2O H2 4 0.423800 1.0079 0 - 3622 h2o 1 h2o O1 5 -0.423800 15.9994 0 - 3623 h2o 1 h2o H1 3 0.211900 1.0079 0 - 3624 h2o 1 h2o H2 3 0.211900 1.0079 0 - 3625 h2o 2 h2o O1 5 -0.423800 15.9994 0 - 3626 h2o 2 h2o H1 3 0.211900 1.0079 0 - 3627 h2o 2 h2o H2 3 0.211900 1.0079 0 - 3628 h2o 3 h2o O1 5 -0.423800 15.9994 0 - 3629 h2o 3 h2o H1 3 0.211900 1.0079 0 - 3630 h2o 3 h2o H2 3 0.211900 1.0079 0 - 3631 h2o 4 h2o O1 5 -0.423800 15.9994 0 - 3632 h2o 4 h2o H1 3 0.211900 1.0079 0 - 3633 h2o 4 h2o H2 3 0.211900 1.0079 0 - 3634 h2o 5 h2o O1 5 -0.423800 15.9994 0 - 3635 h2o 5 h2o H1 3 0.211900 1.0079 0 - 3636 h2o 5 h2o H2 3 0.211900 1.0079 0 - - 1080 !NBOND: bonds - 2017 2018 2017 2019 2020 2021 2020 2022 - 2023 2024 2023 2025 2026 2027 2026 2028 - 2029 2030 2029 2031 2032 2033 2032 2034 - 2035 2036 2035 2037 2038 2039 2038 2040 - 2041 2042 2041 2043 2044 2045 2044 2046 - 2047 2048 2047 2049 2050 2051 2050 2052 - 2053 2054 2053 2055 2056 2057 2056 2058 - 2059 2060 2059 2061 2062 2063 2062 2064 - 2065 2066 2065 2067 2068 2069 2068 2070 - 2071 2072 2071 2073 2074 2075 2074 2076 - 2077 2078 2077 2079 2080 2081 2080 2082 - 2083 2084 2083 2085 2086 2087 2086 2088 - 2089 2090 2089 2091 2092 2093 2092 2094 - 2095 2096 2095 2097 2098 2099 2098 2100 - 2101 2102 2101 2103 2104 2105 2104 2106 - 2107 2108 2107 2109 2110 2111 2110 2112 - 2113 2114 2113 2115 2116 2117 2116 2118 - 2119 2120 2119 2121 2122 2123 2122 2124 - 2125 2126 2125 2127 2128 2129 2128 2130 - 2131 2132 2131 2133 2134 2135 2134 2136 - 2137 2138 2137 2139 2140 2141 2140 2142 - 2143 2144 2143 2145 2146 2147 2146 2148 - 2149 2150 2149 2151 2152 2153 2152 2154 - 2155 2156 2155 2157 2158 2159 2158 2160 - 2161 2162 2161 2163 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2305 2307 2308 2309 2308 2310 - 2311 2312 2311 2313 2314 2315 2314 2316 - 2317 2318 2317 2319 2320 2321 2320 2322 - 2323 2324 2323 2325 2326 2327 2326 2328 - 2329 2330 2329 2331 2332 2333 2332 2334 - 2335 2336 2335 2337 2338 2339 2338 2340 - 2341 2342 2341 2343 2344 2345 2344 2346 - 2347 2348 2347 2349 2350 2351 2350 2352 - 2353 2354 2353 2355 2356 2357 2356 2358 - 2359 2360 2359 2361 2362 2363 2362 2364 - 2365 2366 2365 2367 2368 2369 2368 2370 - 2371 2372 2371 2373 2374 2375 2374 2376 - 2377 2378 2377 2379 2380 2381 2380 2382 - 2383 2384 2383 2385 2386 2387 2386 2388 - 2389 2390 2389 2391 2392 2393 2392 2394 - 2395 2396 2395 2397 2398 2399 2398 2400 - 2401 2402 2401 2403 2404 2405 2404 2406 - 2407 2408 2407 2409 2410 2411 2410 2412 - 2413 2414 2413 2415 2416 2417 2416 2418 - 2419 2420 2419 2421 2422 2423 2422 2424 - 2425 2426 2425 2427 2428 2429 2428 2430 - 2431 2432 2431 2433 2434 2435 2434 2436 - 2437 2438 2437 2439 2440 2441 2440 2442 - 2443 2444 2443 2445 2446 2447 2446 2448 - 2449 2450 2449 2451 2452 2453 2452 2454 - 2455 2456 2455 2457 2458 2459 2458 2460 - 2461 2462 2461 2463 2464 2465 2464 2466 - 2467 2468 2467 2469 2470 2471 2470 2472 - 2473 2474 2473 2475 2476 2477 2476 2478 - 2479 2480 2479 2481 2482 2483 2482 2484 - 2485 2486 2485 2487 2488 2489 2488 2490 - 2491 2492 2491 2493 2494 2495 2494 2496 - 2497 2498 2497 2499 2500 2501 2500 2502 - 2503 2504 2503 2505 2506 2507 2506 2508 - 2509 2510 2509 2511 2512 2513 2512 2514 - 2515 2516 2515 2517 2518 2519 2518 2520 - 2521 2522 2521 2523 2524 2525 2524 2526 - 2527 2528 2527 2529 2530 2531 2530 2532 - 2533 2534 2533 2535 2536 2537 2536 2538 - 2539 2540 2539 2541 2542 2543 2542 2544 - 2545 2546 2545 2547 2548 2549 2548 2550 - 2551 2552 2551 2553 2554 2555 2554 2556 - 2557 2558 2557 2559 2560 2561 2560 2562 - 2563 2564 2563 2565 2566 2567 2566 2568 - 2569 2570 2569 2571 2572 2573 2572 2574 - 2575 2576 2575 2577 2578 2579 2578 2580 - 2581 2582 2581 2583 2584 2585 2584 2586 - 2587 2588 2587 2589 2590 2591 2590 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2735 2734 2736 - 2737 2738 2737 2739 2740 2741 2740 2742 - 2743 2744 2743 2745 2746 2747 2746 2748 - 2749 2750 2749 2751 2752 2753 2752 2754 - 2755 2756 2755 2757 2758 2759 2758 2760 - 2761 2762 2761 2763 2764 2765 2764 2766 - 2767 2768 2767 2769 2770 2771 2770 2772 - 2773 2774 2773 2775 2776 2777 2776 2778 - 2779 2780 2779 2781 2782 2783 2782 2784 - 2785 2786 2785 2787 2788 2789 2788 2790 - 2791 2792 2791 2793 2794 2795 2794 2796 - 2797 2798 2797 2799 2800 2801 2800 2802 - 2803 2804 2803 2805 2806 2807 2806 2808 - 2809 2810 2809 2811 2812 2813 2812 2814 - 2815 2816 2815 2817 2818 2819 2818 2820 - 2821 2822 2821 2823 2824 2825 2824 2826 - 2827 2828 2827 2829 2830 2831 2830 2832 - 2833 2834 2833 2835 2836 2837 2836 2838 - 2839 2840 2839 2841 2842 2843 2842 2844 - 2845 2846 2845 2847 2848 2849 2848 2850 - 2851 2852 2851 2853 2854 2855 2854 2856 - 2857 2858 2857 2859 2860 2861 2860 2862 - 2863 2864 2863 2865 2866 2867 2866 2868 - 2869 2870 2869 2871 2872 2873 2872 2874 - 2875 2876 2875 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- 3163 3164 3163 3165 3166 3167 3166 3168 - 3169 3170 3169 3171 3172 3173 3172 3174 - 3175 3176 3175 3177 3178 3179 3178 3180 - 3181 3182 3181 3183 3184 3185 3184 3186 - 3187 3188 3187 3189 3190 3191 3190 3192 - 3193 3194 3193 3195 3196 3197 3196 3198 - 3199 3200 3199 3201 3202 3203 3202 3204 - 3205 3206 3205 3207 3208 3209 3208 3210 - 3211 3212 3211 3213 3214 3215 3214 3216 - 3217 3218 3217 3219 3220 3221 3220 3222 - 3223 3224 3223 3225 3226 3227 3226 3228 - 3229 3230 3229 3231 3232 3233 3232 3234 - 3235 3236 3235 3237 3238 3239 3238 3240 - 3241 3242 3241 3243 3244 3245 3244 3246 - 3247 3248 3247 3249 3250 3251 3250 3252 - 3253 3254 3253 3255 3256 3257 3256 3258 - 3259 3260 3259 3261 3262 3263 3262 3264 - 3265 3266 3265 3267 3268 3269 3268 3270 - 3271 3272 3271 3273 3274 3275 3274 3276 - 3277 3278 3277 3279 3280 3281 3280 3282 - 3283 3284 3283 3285 3286 3287 3286 3288 - 3289 3290 3289 3291 3292 3293 3292 3294 - 3295 3296 3295 3297 3298 3299 3298 3300 - 3301 3302 3301 3303 3304 3305 3304 3306 - 3307 3308 3307 3309 3310 3311 3310 3312 - 3313 3314 3313 3315 3316 3317 3316 3318 - 3319 3320 3319 3321 3322 3323 3322 3324 - 3325 3326 3325 3327 3328 3329 3328 3330 - 3331 3332 3331 3333 3334 3335 3334 3336 - 3337 3338 3337 3339 3340 3341 3340 3342 - 3343 3344 3343 3345 3346 3347 3346 3348 - 3349 3350 3349 3351 3352 3353 3352 3354 - 3355 3356 3355 3357 3358 3359 3358 3360 - 3361 3362 3361 3363 3364 3365 3364 3366 - 3367 3368 3367 3369 3370 3371 3370 3372 - 3373 3374 3373 3375 3376 3377 3376 3378 - 3379 3380 3379 3381 3382 3383 3382 3384 - 3385 3386 3385 3387 3388 3389 3388 3390 - 3391 3392 3391 3393 3394 3395 3394 3396 - 3397 3398 3397 3399 3400 3401 3400 3402 - 3403 3404 3403 3405 3406 3407 3406 3408 - 3409 3410 3409 3411 3412 3413 3412 3414 - 3415 3416 3415 3417 3418 3419 3418 3420 - 3421 3422 3421 3423 3424 3425 3424 3426 - 3427 3428 3427 3429 3430 3431 3430 3432 - 3433 3434 3433 3435 3436 3437 3436 3438 - 3439 3440 3439 3441 3442 3443 3442 3444 - 3445 3446 3445 3447 3448 3449 3448 3450 - 3451 3452 3451 3453 3454 3455 3454 3456 - 3457 3458 3457 3459 3460 3461 3460 3462 - 3463 3464 3463 3465 3466 3467 3466 3468 - 3469 3470 3469 3471 3472 3473 3472 3474 - 3475 3476 3475 3477 3478 3479 3478 3480 - 3481 3482 3481 3483 3484 3485 3484 3486 - 3487 3488 3487 3489 3490 3491 3490 3492 - 3493 3494 3493 3495 3496 3497 3496 3498 - 3499 3500 3499 3501 3502 3503 3502 3504 - 3505 3506 3505 3507 3508 3509 3508 3510 - 3511 3512 3511 3513 3514 3515 3514 3516 - 3517 3518 3517 3519 3520 3521 3520 3522 - 3523 3524 3523 3525 3526 3527 3526 3528 - 3529 3530 3529 3531 3532 3533 3532 3534 - 3535 3536 3535 3537 3538 3539 3538 3540 - 3541 3542 3541 3543 3544 3545 3544 3546 - 3547 3548 3547 3549 3550 3551 3550 3552 - 3553 3554 3553 3555 3556 3557 3556 3558 - 3559 3560 3559 3561 3562 3563 3562 3564 - 3565 3566 3565 3567 3568 3569 3568 3570 - 3571 3572 3571 3573 3574 3575 3574 3576 - 3577 3578 3577 3579 3580 3581 3580 3582 - 3583 3584 3583 3585 3586 3587 3586 3588 - 3589 3590 3589 3591 3592 3593 3592 3594 - 3595 3596 3595 3597 3598 3599 3598 3600 - 3601 3602 3601 3603 3604 3605 3604 3606 - 3607 3608 3607 3609 3610 3611 3610 3612 - 3613 3614 3613 3615 3616 3617 3616 3618 - 3619 3620 3619 3621 3622 3624 3622 3623 - 3625 3627 3625 3626 3628 3630 3628 3629 - 3631 3633 3631 3632 3634 3636 3634 3635 - - - 540 !NTHETA: angles - 2018 2017 2019 2021 2020 2022 2024 2023 2025 - 2027 2026 2028 2030 2029 2031 2033 2032 2034 - 2036 2035 2037 2039 2038 2040 2042 2041 2043 - 2045 2044 2046 2048 2047 2049 2051 2050 2052 - 2054 2053 2055 2057 2056 2058 2060 2059 2061 - 2063 2062 2064 2066 2065 2067 2069 2068 2070 - 2072 2071 2073 2075 2074 2076 2078 2077 2079 - 2081 2080 2082 2084 2083 2085 2087 2086 2088 - 2090 2089 2091 2093 2092 2094 2096 2095 2097 - 2099 2098 2100 2102 2101 2103 2105 2104 2106 - 2108 2107 2109 2111 2110 2112 2114 2113 2115 - 2117 2116 2118 2120 2119 2121 2123 2122 2124 - 2126 2125 2127 2129 2128 2130 2132 2131 2133 - 2135 2134 2136 2138 2137 2139 2141 2140 2142 - 2144 2143 2145 2147 2146 2148 2150 2149 2151 - 2153 2152 2154 2156 2155 2157 2159 2158 2160 - 2162 2161 2163 2165 2164 2166 2168 2167 2169 - 2171 2170 2172 2174 2173 2175 2177 2176 2178 - 2180 2179 2181 2183 2182 2184 2186 2185 2187 - 2189 2188 2190 2192 2191 2193 2195 2194 2196 - 2198 2197 2199 2201 2200 2202 2204 2203 2205 - 2207 2206 2208 2210 2209 2211 2213 2212 2214 - 2216 2215 2217 2219 2218 2220 2222 2221 2223 - 2225 2224 2226 2228 2227 2229 2231 2230 2232 - 2234 2233 2235 2237 2236 2238 2240 2239 2241 - 2243 2242 2244 2246 2245 2247 2249 2248 2250 - 2252 2251 2253 2255 2254 2256 2258 2257 2259 - 2261 2260 2262 2264 2263 2265 2267 2266 2268 - 2270 2269 2271 2273 2272 2274 2276 2275 2277 - 2279 2278 2280 2282 2281 2283 2285 2284 2286 - 2288 2287 2289 2291 2290 2292 2294 2293 2295 - 2297 2296 2298 2300 2299 2301 2303 2302 2304 - 2306 2305 2307 2309 2308 2310 2312 2311 2313 - 2315 2314 2316 2318 2317 2319 2321 2320 2322 - 2324 2323 2325 2327 2326 2328 2330 2329 2331 - 2333 2332 2334 2336 2335 2337 2339 2338 2340 - 2342 2341 2343 2345 2344 2346 2348 2347 2349 - 2351 2350 2352 2354 2353 2355 2357 2356 2358 - 2360 2359 2361 2363 2362 2364 2366 2365 2367 - 2369 2368 2370 2372 2371 2373 2375 2374 2376 - 2378 2377 2379 2381 2380 2382 2384 2383 2385 - 2387 2386 2388 2390 2389 2391 2393 2392 2394 - 2396 2395 2397 2399 2398 2400 2402 2401 2403 - 2405 2404 2406 2408 2407 2409 2411 2410 2412 - 2414 2413 2415 2417 2416 2418 2420 2419 2421 - 2423 2422 2424 2426 2425 2427 2429 2428 2430 - 2432 2431 2433 2435 2434 2436 2438 2437 2439 - 2441 2440 2442 2444 2443 2445 2447 2446 2448 - 2450 2449 2451 2453 2452 2454 2456 2455 2457 - 2459 2458 2460 2462 2461 2463 2465 2464 2466 - 2468 2467 2469 2471 2470 2472 2474 2473 2475 - 2477 2476 2478 2480 2479 2481 2483 2482 2484 - 2486 2485 2487 2489 2488 2490 2492 2491 2493 - 2495 2494 2496 2498 2497 2499 2501 2500 2502 - 2504 2503 2505 2507 2506 2508 2510 2509 2511 - 2513 2512 2514 2516 2515 2517 2519 2518 2520 - 2522 2521 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100644 index 651f812..0000000 --- a/simulations/NVT/3x3x2.0nm_3-layer/gomc/wp_NVT_20A.sh +++ /dev/null @@ -1,21 +0,0 @@ -#!/bin/bash - -#SBATCH --job-name 20A_NVT -#SBATCH -q primary -#SBATCH -N 1 -#SBATCH -n 8 -#SBATCH --mem=16G -#SBATCH --constraint=intel -#SBATCH --mail-type=ALL -#SBATCH --mail-user=bc118@wayne.edu -#SBATCH -o output_%j.out -#SBATCH -e errors_%j.err -#SBATCH -t 336:0:0 - -echo "Running on host" hostname -echo "Time is" date -module swap gnu7/7.3.0 intel/2019 - -cd /wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/NVT/3x3x2.0nm_3-layer/gomc - -/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_NVT +p8 slit_water_NVT.conf > slit_water_NVT.dat diff --git a/simulations/Plot_ads_des/E_vs_P_div_Psat.pdf b/simulations/Plot_ads_des/E_vs_P_div_Psat.pdf index 3dbe44b..472ed9d 100644 Binary files a/simulations/Plot_ads_des/E_vs_P_div_Psat.pdf and b/simulations/Plot_ads_des/E_vs_P_div_Psat.pdf differ diff --git a/simulations/Plot_ads_des/Plot_ads_des_data.py b/simulations/Plot_ads_des/Plot_ads_des_data.py index c561abd..2cf2b1f 100755 --- a/simulations/Plot_ads_des/Plot_ads_des_data.py +++ b/simulations/Plot_ads_des/Plot_ads_des_data.py @@ -30,7 +30,7 @@ usecols=[0,1], index_col=False) Psat_data = pd.DataFrame(Psat_data) -print(Psat_data) + Psat_SPEC_data_bar = Psat_data.loc[:,'Avg_Pvap_bar'] Psat_SPEC_data_bar = list(Psat_SPEC_data_bar)[0] @@ -88,7 +88,7 @@ calc_data_10A_ads_Gubbins = pd.read_csv(calc_data_reading_name_10A_ads_Gubbins, sep=',') calc_data_10A_ads_Gubbins_df = pd.DataFrame(calc_data_10A_ads_Gubbins) -print(calc_data_10A_ads_Gubbins_df ) + calc_data_16A_ads_Gubbins = pd.read_csv(calc_data_reading_name_16A_ads_Gubbins, sep=',') calc_data_16A_ads_Gubbins_df = pd.DataFrame(calc_data_16A_ads_Gubbins) @@ -154,7 +154,7 @@ calc_data_reading_name_10A_des_Cass = '../desorption/3x3x1.0nm_3-layer/cassandra/analysis/results.csv' calc_data_reading_name_16A_des_Cass = '../desorption/3x3x1.6nm_3-layer/cassandra/analysis/results.csv' -calc_reading_name_pressure_Cass = '../bulk-water/cassandra/analysis/results_nd.csv' +calc_reading_name_pressure_Cass = '../bulk-water/cassandra/analysis/results.csv' calc_data_10A_ads_Cass = pd.read_csv(calc_data_reading_name_10A_ads_Cass, sep=',', index_col=0) calc_data_10A_ads_Cass_df = pd.DataFrame(calc_data_10A_ads_Cass) @@ -184,7 +184,7 @@ mu_kJ_per_mol_Cass = calc_data_pressure_Cass_df.loc[:, 'mu-cassandra_kJmol' ].tolist() -Avg_pressure_bar_Cass = calc_data_pressure_Cass_df.loc[:, 'press_bar' ].tolist() +Avg_pressure_bar_Cass = calc_data_pressure_Cass_df.loc[:, 'pressure_bar' ].tolist() mu_kJ_per_mol_and_P_dict = {} @@ -343,112 +343,6 @@ P_div_Po_16A_des_Cass_list, Avg_of_E_per_area_16A_des_Cass_list, Std_Dev_E_per_area_16A_des_Cass_list = [ list(tuple) for tuple in tuples] -# original Cassandra organization -""" - -Avg_of_E_per_area_10A_ads_Cass_list = [] -mu_kJ_per_mol_10A_ads_Cass_list = [] -P_div_Po_10A_ads_Cass_list = [] -Avg_mu_kJ_per_mol_10A_ads_Cass_list = [] -Std_Dev_E_per_area_10A_ads_Cass_list = [] -for i in range(0, No_runs_per_set_10A_ads_Cass): - Average_of_mu_list = [] - Average_of_E_per_area_list_iteration = [] - for j in range(0, No_independant_run_sets_per_10A_ads_Cass): - evaluate_iteration = i + j * int(No_runs_per_set_10A_ads_Cass) - Average_of_mu_list.append(mu_kJ_per_mol_10A_ads_Cass[evaluate_iteration]) - Average_of_E_per_area_list_iteration.append(Avg_E_No_water_per_nm_sq_10A_ads_Cass[evaluate_iteration]) - - Avg_of_E_per_area_10A_ads_Cass_list.append(np.mean(Average_of_E_per_area_list_iteration)) - Avg_mu_kJ_per_mol_10A_ads_Cass_list.append(np.mean(Average_of_mu_list)) - Calc_P_div_Po = np.mean(np.exp(mu_kJ_per_mol_10A_ads_Cass[i] * slope_Cass + intercept_Cass)) / Psat_at_298K - P_div_Po_10A_ads_Cass_list.append(Calc_P_div_Po) - Std_Dev_E_per_area_10A_ads_Cass_list.append(np.std(Average_of_E_per_area_list_iteration, ddof=1)) - - -zipped_lists = zip(P_div_Po_10A_ads_Cass_list, Avg_of_E_per_area_10A_ads_Cass_list, Std_Dev_E_per_area_10A_ads_Cass_list) -sorted_pairs = sorted(zipped_lists) -tuples = zip(*sorted_pairs) -P_div_Po_10A_ads_Cass_list, Avg_of_E_per_area_10A_ads_Cass_list, Std_Dev_E_per_area_10A_ads_Cass_list = [ list(tuple) for tuple in tuples] - - -Avg_of_E_per_area_16A_ads_Cass_list = [] -mu_kJ_per_mol_16A_ads_Cass_list = [] -P_div_Po_16A_ads_Cass_list = [] -Avg_mu_kJ_per_mol_16A_ads_Cass_list = [] -Std_Dev_E_per_area_16A_ads_Cass_list = [] -for i in range(0, No_runs_per_set_16A_ads_Cass): - Average_of_mu_list = [] - Average_of_E_per_area_list_iteration = [] - for j in range(0, No_independant_run_sets_per_16A_ads_Cass): - evaluate_iteration = i + j * int(No_runs_per_set_16A_ads_Cass) - Average_of_mu_list.append(mu_kJ_per_mol_16A_ads_Cass[evaluate_iteration]) - Average_of_E_per_area_list_iteration.append(Avg_E_No_water_per_nm_sq_16A_ads_Cass[evaluate_iteration]) - - Avg_of_E_per_area_16A_ads_Cass_list.append(np.mean(Average_of_E_per_area_list_iteration)) - Avg_mu_kJ_per_mol_16A_ads_Cass_list.append(np.mean(Average_of_mu_list)) - Calc_P_div_Po = np.mean(np.exp(mu_kJ_per_mol_16A_ads_Cass[i] * slope_Cass + intercept_Cass)) / Psat_at_298K - P_div_Po_16A_ads_Cass_list.append(Calc_P_div_Po) - Std_Dev_E_per_area_16A_ads_Cass_list.append(np.std(Average_of_E_per_area_list_iteration, ddof=1)) - - -zipped_lists = zip(P_div_Po_16A_ads_Cass_list, Avg_of_E_per_area_16A_ads_Cass_list, Std_Dev_E_per_area_16A_ads_Cass_list) -sorted_pairs = sorted(zipped_lists) -tuples = zip(*sorted_pairs) -P_div_Po_16A_ads_Cass_list, Avg_of_E_per_area_16A_ads_Cass_list, Std_Dev_E_per_area_16A_ads_Cass_list = [ list(tuple) for tuple in tuples] - - -Avg_of_E_per_area_10A_des_Cass_list = [] -mu_kJ_per_mol_10A_des_Cass_list = [] -P_div_Po_10A_des_Cass_list = [] -Avg_mu_kJ_per_mol_10A_des_Cass_list = [] -Std_Dev_E_per_area_10A_des_Cass_list = [] -for i in range(0, No_runs_per_set_10A_des_Cass): - Average_of_mu_list = [] - Average_of_E_per_area_list_iteration = [] - for j in range(0, No_independant_run_sets_per_10A_des_Cass): - evaluate_iteration = i + j * int(No_runs_per_set_10A_des_Cass) - Average_of_mu_list.append(mu_kJ_per_mol_10A_des_Cass[evaluate_iteration]) - Average_of_E_per_area_list_iteration.append(Avg_E_No_water_per_nm_sq_10A_des_Cass[evaluate_iteration]) - - Avg_of_E_per_area_10A_des_Cass_list.append(np.mean(Average_of_E_per_area_list_iteration)) - Avg_mu_kJ_per_mol_10A_des_Cass_list.append(np.mean(Average_of_mu_list)) - Calc_P_div_Po = np.mean(np.exp(mu_kJ_per_mol_10A_des_Cass[i] * slope_Cass + intercept_Cass)) / Psat_at_298K - P_div_Po_10A_des_Cass_list.append(Calc_P_div_Po) - Std_Dev_E_per_area_10A_des_Cass_list.append(np.std(Average_of_E_per_area_list_iteration, ddof=1)) - - -zipped_lists = zip(P_div_Po_10A_des_Cass_list, Avg_of_E_per_area_10A_des_Cass_list, Std_Dev_E_per_area_10A_des_Cass_list) -sorted_pairs = sorted(zipped_lists) -tuples = zip(*sorted_pairs) -P_div_Po_10A_des_Cass_list, Avg_of_E_per_area_10A_des_Cass_list, Std_Dev_E_per_area_10A_des_Cass_list = [ list(tuple) for tuple in tuples] - - -Avg_of_E_per_area_16A_des_Cass_list = [] -mu_kJ_per_mol_16A_des_Cass_list = [] -P_div_Po_16A_des_Cass_list = [] -Avg_mu_kJ_per_mol_16A_des_Cass_list = [] -Std_Dev_E_per_area_16A_des_Cass_list = [] -for i in range(0, No_runs_per_set_16A_des_Cass): - Average_of_mu_list = [] - Average_of_E_per_area_list_iteration = [] - for j in range(0, No_independant_run_sets_per_16A_des_Cass): - evaluate_iteration = i + j * int(No_runs_per_set_16A_des_Cass) - Average_of_mu_list.append(mu_kJ_per_mol_16A_des_Cass[evaluate_iteration]) - Average_of_E_per_area_list_iteration.append(Avg_E_No_water_per_nm_sq_16A_des_Cass[evaluate_iteration]) - - Avg_of_E_per_area_16A_des_Cass_list.append(np.mean(Average_of_E_per_area_list_iteration)) - Avg_mu_kJ_per_mol_16A_des_Cass_list.append(np.mean(Average_of_mu_list)) - Calc_P_div_Po = np.mean(np.exp(mu_kJ_per_mol_16A_des_Cass[i] * slope_Cass + intercept_Cass)) / Psat_at_298K - P_div_Po_16A_des_Cass_list.append(Calc_P_div_Po) - Std_Dev_E_per_area_16A_des_Cass_list.append(np.std(Average_of_E_per_area_list_iteration, ddof=1)) - - -zipped_lists = zip(P_div_Po_16A_des_Cass_list, Avg_of_E_per_area_16A_des_Cass_list, Std_Dev_E_per_area_16A_des_Cass_list) -sorted_pairs = sorted(zipped_lists) -tuples = zip(*sorted_pairs) -P_div_Po_16A_des_Cass_list, Avg_of_E_per_area_16A_des_Cass_list, Std_Dev_E_per_area_16A_des_Cass_list = [ list(tuple) for tuple in tuples] -""" #**************************************** #Plot Number 1 (start) @@ -550,7 +444,7 @@ ax1[1].grid() -plt.show() +#plt.show() fig1.savefig(E_vs_P_Psat_saving_name) #**************************************** #Plot Number 1 (end) diff --git a/simulations/Plot_ads_des/README.md b/simulations/Plot_ads_des/README.md new file mode 100644 index 0000000..12b3121 --- /dev/null +++ b/simulations/Plot_ads_des/README.md @@ -0,0 +1,21 @@ +## Plot the adsorption and desorption data for Cassandra, GOMC, and the rescaled Striolo data (see reference 1) + +### Plot the adsorption and desorption data for the 3x3x1.0nm and 3x3x1.6nm pores +Note: Both the GOMC and Cassandra analysis output files must be available for the plot to work without modifying the code. + +### Step 1 : Activate the conda environment +1) Open a terminal window and activate the conda environment +* conda activate slitpore37 + + +### Step 2 : build the coordinate, topology, and force field files (PDB, PSF, and FF (.inp)) +1) Change the terminal window directory to thePlot_ads_des directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/Plot_ads_des). Assuming you are in the simulations/Plot_ads_des directory (to mosdef_slitpore/mosdef_slitpore/simulations/Plot_ads_des), not action is required. + +2) Run the python build script +* python Plot_ads_des_data.py + + + +## References: + +(1) Striolo A, Chialvo AA, Cummings PT, Gubbins KE. Water adsorption in carbon-slitnanopores. Langmuir. 2003;19(20):8583–8591 diff --git a/simulations/Plot_ads_des/orig data/E_vs_P_div_Psat.pdf b/simulations/Plot_ads_des/orig data/E_vs_P_div_Psat.pdf new file mode 100644 index 0000000..3dbe44b Binary files /dev/null and b/simulations/Plot_ads_des/orig data/E_vs_P_div_Psat.pdf differ diff --git a/simulations/Plot_ads_des/orig/Plot_ads_des_data.py b/simulations/Plot_ads_des/orig/Plot_ads_des_data.py new file mode 100755 index 0000000..c561abd --- /dev/null +++ b/simulations/Plot_ads_des/orig/Plot_ads_des_data.py @@ -0,0 +1,559 @@ +import numpy as np +import matplotlib.pyplot as plt +import csv as csv +import pandas as pd +import matplotlib.ticker as ticker +from matplotlib import rcParams +rcParams['font.family'] = 'sans-serif' +rcParams['font.sans-serif'] = ['Arial'] +from scipy.stats import linregress +import seaborn as sns +from matplotlib.colors import ListedColormap + + +sns.color_palette("deep",2) + +E_vs_P_Psat_saving_name = "E_vs_P_div_Psat.pdf" + +axis_Label_font_size = 22 +legend_font_size = 16 +axis_number_font_size = 18 + +PointSizes = 8 +ConnectionLineSizes = 2 +Reg_Density_Linestyle = '--' #'-' = solid, '--' = dashed, ':'= dotted +Critical_Density_Linestyle = None + + +Psat_data_file = '../Psat_SPCE_298K/gomc/analysis/SPCE_Pvap_at_298K_df.csv' +Psat_data = pd.read_csv(Psat_data_file, sep=',', header=0, na_values='NaN', + usecols=[0,1], index_col=False) + +Psat_data = pd.DataFrame(Psat_data) +print(Psat_data) + +Psat_SPEC_data_bar = Psat_data.loc[:,'Avg_Pvap_bar'] +Psat_SPEC_data_bar = list(Psat_SPEC_data_bar)[0] +print('Psat_SPEC_data_bar = '+str(Psat_SPEC_data_bar)) +Psat_at_298K = Psat_SPEC_data_bar + +#************** +# P vs T plot ranges (start) +#************* +Psat_div_Po_min = 0.001 +Psat_div_Po_max = 30 + +E_per_nm_sq_10A_min = -1.9 +E_per_nm_sq_10A_max = 17 +E_per_nm_sq_10A_step = 5 + +E_per_nm_sq_16A_min = -4.8 +E_per_nm_sq_16A_max = 34 +E_per_nm_sq_16A_step = 10 + +#************** +# P vs T plot ranges (end) +#************* + +Chemical_name = 'grapene_water' + +flatui = ["#9b59b6", "#3498db", "#95a5a6", "#e74c3c", "#34495e", "#2ecc71"] +my_cmap = ListedColormap(sns.color_palette(flatui).as_hex()) +WSU_color = '#ff7f0e' +NDU_color = '#1f77b4' + + +#******************************** +# Cassandra variables (start) +#******************************** +No_independant_run_sets_per_10A_ads_Cass = 3 # interger only +No_independant_run_sets_per_16A_ads_Cass = 3 # interger only +No_independant_run_sets_per_10A_des_Cass = 3 # interger only +No_independant_run_sets_per_16A_des_Cass = 3 # interger only + +#******************************** +# Cassandra variables (end) +#******************************** + + +#******************************** +# File importing (start) +#******************************** +#import Gubbins rescaled data +calc_data_reading_name_10A_ads_Gubbins = 'Gubbins_extracted_data/10_ads_rescaled.csv' +calc_data_reading_name_16A_ads_Gubbins = 'Gubbins_extracted_data/16_ads_rescaled.csv' + +calc_data_reading_name_10A_des_Gubbins = 'Gubbins_extracted_data/10_des_rescaled.csv' +calc_data_reading_name_16A_des_Gubbins = 'Gubbins_extracted_data/16_des_rescaled.csv' + +calc_data_10A_ads_Gubbins = pd.read_csv(calc_data_reading_name_10A_ads_Gubbins, sep=',') +calc_data_10A_ads_Gubbins_df = pd.DataFrame(calc_data_10A_ads_Gubbins) +print(calc_data_10A_ads_Gubbins_df ) +calc_data_16A_ads_Gubbins = pd.read_csv(calc_data_reading_name_16A_ads_Gubbins, sep=',') +calc_data_16A_ads_Gubbins_df = pd.DataFrame(calc_data_16A_ads_Gubbins) + +calc_data_10A_des_Gubbins = pd.read_csv(calc_data_reading_name_10A_des_Gubbins, sep=',') +calc_data_10A_des_Gubbins_df = pd.DataFrame(calc_data_10A_des_Gubbins) + +calc_data_16A_des_Gubbins = pd.read_csv(calc_data_reading_name_16A_des_Gubbins, sep=',') +calc_data_16A_des_Gubbins_df = pd.DataFrame(calc_data_16A_des_Gubbins) + +Psat_ratio_10A_ads_Gubbins = calc_data_10A_ads_Gubbins_df.loc[:, 'P_div_Po' ].tolist() +Psat_ratio_16A_ads_Gubbins = calc_data_16A_ads_Gubbins_df.loc[:, 'P_div_Po' ].tolist() +Psat_ratio_10A_des_Gubbins = calc_data_10A_des_Gubbins_df.loc[:, 'P_div_Po' ].tolist() +Psat_ratio_16A_des_Gubbins = calc_data_16A_des_Gubbins_df.loc[:, 'P_div_Po' ].tolist() + + +Avg_E_No_water_per_nm_sq_10A_ads_Gubbins = calc_data_10A_ads_Gubbins_df.loc[:, 'nmols_per_nm^2' ].tolist() +Avg_E_No_water_per_nm_sq_16A_ads_Gubbins = calc_data_16A_ads_Gubbins_df.loc[:, 'nmols_per_nm^2' ].tolist() +Avg_E_No_water_per_nm_sq_10A_des_Gubbins = calc_data_10A_des_Gubbins_df.loc[:, 'nmols_per_nm^2' ].tolist() +Avg_E_No_water_per_nm_sq_16A_des_Gubbins = calc_data_16A_des_Gubbins_df.loc[:, 'nmols_per_nm^2' ].tolist() + + +#import GOMC data + +calc_data_reading_name_10A_ads = '../adsorption/3x3x1.0nm_3-layer/gomc/analysis/adsorption_10A_slit_df.txt' +calc_data_reading_name_16A_ads = '../adsorption/3x3x1.6nm_3-layer/gomc/analysis/adsorption_16A_slit_df.txt' + +calc_data_reading_name_10A_des = '../desorption/3x3x1.0nm_3-layer/gomc/analysis/desorption_10A_slit_df.txt' +calc_data_reading_name_16A_des = '../desorption/3x3x1.6nm_3-layer/gomc/analysis/desorption_16A_slit_df.txt' + +calc_data_10A_ads = pd.read_csv(calc_data_reading_name_10A_ads, sep='\s+', index_col=0) +calc_data_10A_ads_df = pd.DataFrame(calc_data_10A_ads) + +calc_data_16A_ads = pd.read_csv(calc_data_reading_name_16A_ads, sep='\s+', index_col=0) +calc_data_16A_ads_df = pd.DataFrame(calc_data_16A_ads) + +calc_data_10A_des = pd.read_csv(calc_data_reading_name_10A_des, sep='\s+', index_col=0) +calc_data_10A_des_df = pd.DataFrame(calc_data_10A_des) + +calc_data_16A_des = pd.read_csv(calc_data_reading_name_16A_des, sep='\s+', index_col=0) +calc_data_16A_des_df = pd.DataFrame(calc_data_16A_des) + +Psat_ratio_10A_ads = calc_data_10A_ads_df.loc[:, 'Psat_ratio' ].tolist() +Psat_ratio_16A_ads = calc_data_16A_ads_df.loc[:, 'Psat_ratio' ].tolist() +Psat_ratio_10A_des = calc_data_10A_des_df.loc[:, 'Psat_ratio' ].tolist() +Psat_ratio_16A_des = calc_data_16A_des_df.loc[:, 'Psat_ratio' ].tolist() + + +Avg_E_No_water_per_nm_sq_10A_ads = calc_data_10A_ads_df.loc[:, 'Avg_E_No_water_per_nm_sq' ].tolist() +Avg_E_No_water_per_nm_sq_16A_ads = calc_data_16A_ads_df.loc[:, 'Avg_E_No_water_per_nm_sq' ].tolist() +Avg_E_No_water_per_nm_sq_10A_des = calc_data_10A_des_df.loc[:, 'Avg_E_No_water_per_nm_sq' ].tolist() +Avg_E_No_water_per_nm_sq_16A_des = calc_data_16A_des_df.loc[:, 'Avg_E_No_water_per_nm_sq' ].tolist() + +StdDev_E_No_water_per_nm_sq_10A_ads = calc_data_10A_ads_df.loc[:, 'StdDev_E_No_water_per_nm_sq' ].tolist() +StdDev_E_No_water_per_nm_sq_16A_ads = calc_data_16A_ads_df.loc[:, 'StdDev_E_No_water_per_nm_sq' ].tolist() +StdDev_E_No_water_per_nm_sq_10A_des = calc_data_10A_des_df.loc[:, 'StdDev_E_No_water_per_nm_sq' ].tolist() +StdDev_E_No_water_per_nm_sq_16A_des = calc_data_16A_des_df.loc[:, 'StdDev_E_No_water_per_nm_sq' ].tolist() + + +#import Cassandra data +calc_data_reading_name_10A_ads_Cass = '../adsorption/3x3x1.0nm_3-layer/cassandra/analysis/results.csv' +calc_data_reading_name_16A_ads_Cass = '../adsorption/3x3x1.6nm_3-layer/cassandra/analysis/results.csv' + +calc_data_reading_name_10A_des_Cass = '../desorption/3x3x1.0nm_3-layer/cassandra/analysis/results.csv' +calc_data_reading_name_16A_des_Cass = '../desorption/3x3x1.6nm_3-layer/cassandra/analysis/results.csv' + +calc_reading_name_pressure_Cass = '../bulk-water/cassandra/analysis/results_nd.csv' + +calc_data_10A_ads_Cass = pd.read_csv(calc_data_reading_name_10A_ads_Cass, sep=',', index_col=0) +calc_data_10A_ads_Cass_df = pd.DataFrame(calc_data_10A_ads_Cass) + +calc_data_16A_ads_Cass = pd.read_csv(calc_data_reading_name_16A_ads_Cass, sep=',', index_col=0) +calc_data_16A_ads_Cass_df = pd.DataFrame(calc_data_16A_ads_Cass) + +calc_data_10A_des_Cass = pd.read_csv(calc_data_reading_name_10A_des_Cass, sep=',', index_col=0) +calc_data_10A_des_Cass_df = pd.DataFrame(calc_data_10A_des_Cass) + +calc_data_16A_des_Cass = pd.read_csv(calc_data_reading_name_16A_des_Cass, sep=',', index_col=0) +calc_data_16A_des_Cass_df = pd.DataFrame(calc_data_16A_des_Cass) + +calc_data_pressure_Cass = pd.read_csv(calc_reading_name_pressure_Cass, sep=',', index_col=0) +calc_data_pressure_Cass_df = pd.DataFrame(calc_data_pressure_Cass) + + +mu_kJ_per_mol_10A_ads_Cass = calc_data_10A_ads_Cass_df.loc[:, 'mu-cassandra_kJmol' ].tolist() +mu_kJ_per_mol_16A_ads_Cass = calc_data_16A_ads_Cass_df.loc[:, 'mu-cassandra_kJmol' ].tolist() +mu_kJ_per_mol_10A_des_Cass = calc_data_10A_des_Cass_df.loc[:, 'mu-cassandra_kJmol' ].tolist() +mu_kJ_per_mol_16A_des_Cass = calc_data_16A_des_Cass_df.loc[:, 'mu-cassandra_kJmol' ].tolist() + +Avg_E_No_water_per_nm_sq_10A_ads_Cass = calc_data_10A_ads_Cass_df.loc[:, 'nmols_per_nm^2' ].tolist() +Avg_E_No_water_per_nm_sq_16A_ads_Cass = calc_data_16A_ads_Cass_df.loc[:, 'nmols_per_nm^2' ].tolist() +Avg_E_No_water_per_nm_sq_10A_des_Cass = calc_data_10A_des_Cass_df.loc[:, 'nmols_per_nm^2' ].tolist() +Avg_E_No_water_per_nm_sq_16A_des_Cass = calc_data_16A_des_Cass_df.loc[:, 'nmols_per_nm^2' ].tolist() + + +mu_kJ_per_mol_Cass = calc_data_pressure_Cass_df.loc[:, 'mu-cassandra_kJmol' ].tolist() +Avg_pressure_bar_Cass = calc_data_pressure_Cass_df.loc[:, 'press_bar' ].tolist() + +mu_kJ_per_mol_and_P_dict = {} + +for i in range(0, len(mu_kJ_per_mol_Cass)): + P_iteration = Avg_pressure_bar_Cass[i] + mu_kJ_per_mol_Cass_iteration = mu_kJ_per_mol_Cass[i] + mu_kJ_per_mol_and_P_dict.update({mu_kJ_per_mol_Cass_iteration : P_iteration}) + + +slope_Cass, intercept_Cass, r_value_Cass, p_value_Cass, stderr_Cass = linregress(list(mu_kJ_per_mol_and_P_dict.keys()), + y = np.log(list(mu_kJ_per_mol_and_P_dict.values()))) + +No_runs_per_set_10A_ads_Cass = int( len(mu_kJ_per_mol_10A_ads_Cass) / No_independant_run_sets_per_10A_ads_Cass ) +No_runs_per_set_16A_ads_Cass = int( len(mu_kJ_per_mol_16A_ads_Cass) / No_independant_run_sets_per_16A_ads_Cass ) +No_runs_per_set_10A_des_Cass = int( len(mu_kJ_per_mol_10A_des_Cass) / No_independant_run_sets_per_10A_des_Cass ) +No_runs_per_set_16A_des_Cass = int( len(mu_kJ_per_mol_16A_des_Cass) / No_independant_run_sets_per_16A_des_Cass ) + + +# new Cassandra organization +Avg_of_E_per_area_10A_ads_Cass_list = [] +mu_kJ_per_mol_10A_ads_Cass_list = [] +P_div_Po_10A_ads_Cass_list = [] +Avg_mu_kJ_per_mol_10A_ads_Cass_list = [] +Std_Dev_E_per_area_10A_ads_Cass_list = [] + +mu_kJ_per_mol_10A_ads_Cass_unique_list = [] +for k in range(0, len(mu_kJ_per_mol_10A_ads_Cass)): + if mu_kJ_per_mol_10A_ads_Cass[k] not in mu_kJ_per_mol_10A_ads_Cass_unique_list: + mu_kJ_per_mol_10A_ads_Cass_unique_list.append(mu_kJ_per_mol_10A_ads_Cass[k]) + + +for i in range(0, No_runs_per_set_10A_ads_Cass): + Average_of_mu_list_iteration = [] + Average_of_E_per_area_list_iteration = [] + for j in range(0, No_independant_run_sets_per_10A_ads_Cass): + iteration_line = i*No_independant_run_sets_per_10A_ads_Cass +j + Average_of_mu_list_iteration.append(mu_kJ_per_mol_10A_ads_Cass[iteration_line]) + Average_of_E_per_area_list_iteration.append(Avg_E_No_water_per_nm_sq_10A_ads_Cass[iteration_line]) + + Avg_of_E_per_area_10A_ads_Cass_list.append(np.mean(Average_of_E_per_area_list_iteration)) + Avg_mu_kJ_per_mol_10A_ads_Cass_list.append(np.mean(Average_of_mu_list_iteration)) + Calc_P_div_Po = np.mean(np.exp(Avg_mu_kJ_per_mol_10A_ads_Cass_list[i] * slope_Cass + intercept_Cass)) / Psat_at_298K + P_div_Po_10A_ads_Cass_list.append(Calc_P_div_Po) + Std_Dev_E_per_area_10A_ads_Cass_list.append(np.std(Average_of_E_per_area_list_iteration, ddof=1)) + + + +zipped_lists = zip(P_div_Po_10A_ads_Cass_list, Avg_of_E_per_area_10A_ads_Cass_list, Std_Dev_E_per_area_10A_ads_Cass_list) +sorted_pairs = sorted(zipped_lists) +tuples = zip(*sorted_pairs) +P_div_Po_10A_ads_Cass_list, Avg_of_E_per_area_10A_ads_Cass_list, Std_Dev_E_per_area_10A_ads_Cass_list = [ list(tuple) for tuple in tuples] + + + + +Avg_of_E_per_area_10A_des_Cass_list = [] +mu_kJ_per_mol_10A_des_Cass_list = [] +P_div_Po_10A_des_Cass_list = [] +Avg_mu_kJ_per_mol_10A_des_Cass_list = [] +Std_Dev_E_per_area_10A_des_Cass_list = [] + +mu_kJ_per_mol_10A_des_Cass_unique_list = [] +for k in range(0, len(mu_kJ_per_mol_10A_des_Cass)): + if mu_kJ_per_mol_10A_des_Cass[k] not in mu_kJ_per_mol_10A_des_Cass_unique_list: + mu_kJ_per_mol_10A_des_Cass_unique_list.append(mu_kJ_per_mol_10A_des_Cass[k]) + + +for i in range(0, No_runs_per_set_10A_des_Cass): + Average_of_mu_list_iteration = [] + Average_of_E_per_area_list_iteration = [] + for j in range(0, No_independant_run_sets_per_10A_des_Cass): + iteration_line = i*No_independant_run_sets_per_10A_des_Cass +j + Average_of_mu_list_iteration.append(mu_kJ_per_mol_10A_des_Cass[iteration_line]) + Average_of_E_per_area_list_iteration.append(Avg_E_No_water_per_nm_sq_10A_des_Cass[iteration_line]) + + Avg_of_E_per_area_10A_des_Cass_list.append(np.mean(Average_of_E_per_area_list_iteration)) + Avg_mu_kJ_per_mol_10A_des_Cass_list.append(np.mean(Average_of_mu_list_iteration)) + Calc_P_div_Po = np.mean(np.exp(Avg_mu_kJ_per_mol_10A_des_Cass_list[i] * slope_Cass + intercept_Cass)) / Psat_at_298K + P_div_Po_10A_des_Cass_list.append(Calc_P_div_Po) + Std_Dev_E_per_area_10A_des_Cass_list.append(np.std(Average_of_E_per_area_list_iteration, ddof=1)) + + +zipped_lists = zip(P_div_Po_10A_des_Cass_list, Avg_of_E_per_area_10A_des_Cass_list, Std_Dev_E_per_area_10A_des_Cass_list) +sorted_pairs = sorted(zipped_lists) +tuples = zip(*sorted_pairs) +P_div_Po_10A_des_Cass_list, Avg_of_E_per_area_10A_des_Cass_list, Std_Dev_E_per_area_10A_des_Cass_list = [ list(tuple) for tuple in tuples] + + + +Avg_of_E_per_area_16A_ads_Cass_list = [] +mu_kJ_per_mol_16A_ads_Cass_list = [] +P_div_Po_16A_ads_Cass_list = [] +Avg_mu_kJ_per_mol_16A_ads_Cass_list = [] +Std_Dev_E_per_area_16A_ads_Cass_list = [] + +mu_kJ_per_mol_16A_ads_Cass_unique_list = [] +for k in range(0, len(mu_kJ_per_mol_16A_ads_Cass)): + if mu_kJ_per_mol_16A_ads_Cass[k] not in mu_kJ_per_mol_16A_ads_Cass_unique_list: + mu_kJ_per_mol_16A_ads_Cass_unique_list.append(mu_kJ_per_mol_16A_ads_Cass[k]) + + +for i in range(0, No_runs_per_set_16A_ads_Cass): + Average_of_mu_list_iteration = [] + Average_of_E_per_area_list_iteration = [] + for j in range(0, No_independant_run_sets_per_16A_ads_Cass): + iteration_line = i*No_independant_run_sets_per_16A_ads_Cass +j + Average_of_mu_list_iteration.append(mu_kJ_per_mol_16A_ads_Cass[iteration_line]) + Average_of_E_per_area_list_iteration.append(Avg_E_No_water_per_nm_sq_16A_ads_Cass[iteration_line]) + + Avg_of_E_per_area_16A_ads_Cass_list.append(np.mean(Average_of_E_per_area_list_iteration)) + Avg_mu_kJ_per_mol_16A_ads_Cass_list.append(np.mean(Average_of_mu_list_iteration)) + Calc_P_div_Po = np.mean(np.exp(Avg_mu_kJ_per_mol_16A_ads_Cass_list[i] * slope_Cass + intercept_Cass)) / Psat_at_298K + P_div_Po_16A_ads_Cass_list.append(Calc_P_div_Po) + Std_Dev_E_per_area_16A_ads_Cass_list.append(np.std(Average_of_E_per_area_list_iteration, ddof=1)) + + +zipped_lists = zip(P_div_Po_16A_ads_Cass_list, Avg_of_E_per_area_16A_ads_Cass_list, Std_Dev_E_per_area_16A_ads_Cass_list) +sorted_pairs = sorted(zipped_lists) +tuples = zip(*sorted_pairs) +P_div_Po_16A_ads_Cass_list, Avg_of_E_per_area_16A_ads_Cass_list, Std_Dev_E_per_area_16A_ads_Cass_list = [ list(tuple) for tuple in tuples] + + + + +Avg_of_E_per_area_16A_des_Cass_list = [] +mu_kJ_per_mol_16A_des_Cass_list = [] +P_div_Po_16A_des_Cass_list = [] +Avg_mu_kJ_per_mol_16A_des_Cass_list = [] +Std_Dev_E_per_area_16A_des_Cass_list = [] + +mu_kJ_per_mol_16A_des_Cass_unique_list = [] +for k in range(0, len(mu_kJ_per_mol_16A_des_Cass)): + if mu_kJ_per_mol_16A_des_Cass[k] not in mu_kJ_per_mol_16A_des_Cass_unique_list: + mu_kJ_per_mol_16A_des_Cass_unique_list.append(mu_kJ_per_mol_16A_des_Cass[k]) + + +for i in range(0, No_runs_per_set_16A_des_Cass): + Average_of_mu_list_iteration = [] + Average_of_E_per_area_list_iteration = [] + for j in range(0, No_independant_run_sets_per_16A_des_Cass): + iteration_line = i*No_independant_run_sets_per_16A_des_Cass +j + Average_of_mu_list_iteration.append(mu_kJ_per_mol_16A_des_Cass[iteration_line]) + Average_of_E_per_area_list_iteration.append(Avg_E_No_water_per_nm_sq_16A_des_Cass[iteration_line]) + + Avg_of_E_per_area_16A_des_Cass_list.append(np.mean(Average_of_E_per_area_list_iteration)) + Avg_mu_kJ_per_mol_16A_des_Cass_list.append(np.mean(Average_of_mu_list_iteration)) + Calc_P_div_Po = np.mean(np.exp(Avg_mu_kJ_per_mol_16A_des_Cass_list[i] * slope_Cass + intercept_Cass)) / Psat_at_298K + P_div_Po_16A_des_Cass_list.append(Calc_P_div_Po) + Std_Dev_E_per_area_16A_des_Cass_list.append(np.std(Average_of_E_per_area_list_iteration, ddof=1)) + + + +zipped_lists = zip(P_div_Po_16A_des_Cass_list, Avg_of_E_per_area_16A_des_Cass_list, Std_Dev_E_per_area_16A_des_Cass_list) +sorted_pairs = sorted(zipped_lists) +tuples = zip(*sorted_pairs) +P_div_Po_16A_des_Cass_list, Avg_of_E_per_area_16A_des_Cass_list, Std_Dev_E_per_area_16A_des_Cass_list = [ list(tuple) for tuple in tuples] + + +# original Cassandra organization +""" + +Avg_of_E_per_area_10A_ads_Cass_list = [] +mu_kJ_per_mol_10A_ads_Cass_list = [] +P_div_Po_10A_ads_Cass_list = [] +Avg_mu_kJ_per_mol_10A_ads_Cass_list = [] +Std_Dev_E_per_area_10A_ads_Cass_list = [] +for i in range(0, No_runs_per_set_10A_ads_Cass): + Average_of_mu_list = [] + Average_of_E_per_area_list_iteration = [] + for j in range(0, No_independant_run_sets_per_10A_ads_Cass): + evaluate_iteration = i + j * int(No_runs_per_set_10A_ads_Cass) + Average_of_mu_list.append(mu_kJ_per_mol_10A_ads_Cass[evaluate_iteration]) + Average_of_E_per_area_list_iteration.append(Avg_E_No_water_per_nm_sq_10A_ads_Cass[evaluate_iteration]) + + Avg_of_E_per_area_10A_ads_Cass_list.append(np.mean(Average_of_E_per_area_list_iteration)) + Avg_mu_kJ_per_mol_10A_ads_Cass_list.append(np.mean(Average_of_mu_list)) + Calc_P_div_Po = np.mean(np.exp(mu_kJ_per_mol_10A_ads_Cass[i] * slope_Cass + intercept_Cass)) / Psat_at_298K + P_div_Po_10A_ads_Cass_list.append(Calc_P_div_Po) + Std_Dev_E_per_area_10A_ads_Cass_list.append(np.std(Average_of_E_per_area_list_iteration, ddof=1)) + + +zipped_lists = zip(P_div_Po_10A_ads_Cass_list, Avg_of_E_per_area_10A_ads_Cass_list, Std_Dev_E_per_area_10A_ads_Cass_list) +sorted_pairs = sorted(zipped_lists) +tuples = zip(*sorted_pairs) +P_div_Po_10A_ads_Cass_list, Avg_of_E_per_area_10A_ads_Cass_list, Std_Dev_E_per_area_10A_ads_Cass_list = [ list(tuple) for tuple in tuples] + + +Avg_of_E_per_area_16A_ads_Cass_list = [] +mu_kJ_per_mol_16A_ads_Cass_list = [] +P_div_Po_16A_ads_Cass_list = [] +Avg_mu_kJ_per_mol_16A_ads_Cass_list = [] +Std_Dev_E_per_area_16A_ads_Cass_list = [] +for i in range(0, No_runs_per_set_16A_ads_Cass): + Average_of_mu_list = [] + Average_of_E_per_area_list_iteration = [] + for j in range(0, No_independant_run_sets_per_16A_ads_Cass): + evaluate_iteration = i + j * int(No_runs_per_set_16A_ads_Cass) + Average_of_mu_list.append(mu_kJ_per_mol_16A_ads_Cass[evaluate_iteration]) + Average_of_E_per_area_list_iteration.append(Avg_E_No_water_per_nm_sq_16A_ads_Cass[evaluate_iteration]) + + Avg_of_E_per_area_16A_ads_Cass_list.append(np.mean(Average_of_E_per_area_list_iteration)) + Avg_mu_kJ_per_mol_16A_ads_Cass_list.append(np.mean(Average_of_mu_list)) + Calc_P_div_Po = np.mean(np.exp(mu_kJ_per_mol_16A_ads_Cass[i] * slope_Cass + intercept_Cass)) / Psat_at_298K + P_div_Po_16A_ads_Cass_list.append(Calc_P_div_Po) + Std_Dev_E_per_area_16A_ads_Cass_list.append(np.std(Average_of_E_per_area_list_iteration, ddof=1)) + + +zipped_lists = zip(P_div_Po_16A_ads_Cass_list, Avg_of_E_per_area_16A_ads_Cass_list, Std_Dev_E_per_area_16A_ads_Cass_list) +sorted_pairs = sorted(zipped_lists) +tuples = zip(*sorted_pairs) +P_div_Po_16A_ads_Cass_list, Avg_of_E_per_area_16A_ads_Cass_list, Std_Dev_E_per_area_16A_ads_Cass_list = [ list(tuple) for tuple in tuples] + + +Avg_of_E_per_area_10A_des_Cass_list = [] +mu_kJ_per_mol_10A_des_Cass_list = [] +P_div_Po_10A_des_Cass_list = [] +Avg_mu_kJ_per_mol_10A_des_Cass_list = [] +Std_Dev_E_per_area_10A_des_Cass_list = [] +for i in range(0, No_runs_per_set_10A_des_Cass): + Average_of_mu_list = [] + Average_of_E_per_area_list_iteration = [] + for j in range(0, No_independant_run_sets_per_10A_des_Cass): + evaluate_iteration = i + j * int(No_runs_per_set_10A_des_Cass) + Average_of_mu_list.append(mu_kJ_per_mol_10A_des_Cass[evaluate_iteration]) + Average_of_E_per_area_list_iteration.append(Avg_E_No_water_per_nm_sq_10A_des_Cass[evaluate_iteration]) + + Avg_of_E_per_area_10A_des_Cass_list.append(np.mean(Average_of_E_per_area_list_iteration)) + Avg_mu_kJ_per_mol_10A_des_Cass_list.append(np.mean(Average_of_mu_list)) + Calc_P_div_Po = np.mean(np.exp(mu_kJ_per_mol_10A_des_Cass[i] * slope_Cass + intercept_Cass)) / Psat_at_298K + P_div_Po_10A_des_Cass_list.append(Calc_P_div_Po) + Std_Dev_E_per_area_10A_des_Cass_list.append(np.std(Average_of_E_per_area_list_iteration, ddof=1)) + + +zipped_lists = zip(P_div_Po_10A_des_Cass_list, Avg_of_E_per_area_10A_des_Cass_list, Std_Dev_E_per_area_10A_des_Cass_list) +sorted_pairs = sorted(zipped_lists) +tuples = zip(*sorted_pairs) +P_div_Po_10A_des_Cass_list, Avg_of_E_per_area_10A_des_Cass_list, Std_Dev_E_per_area_10A_des_Cass_list = [ list(tuple) for tuple in tuples] + + +Avg_of_E_per_area_16A_des_Cass_list = [] +mu_kJ_per_mol_16A_des_Cass_list = [] +P_div_Po_16A_des_Cass_list = [] +Avg_mu_kJ_per_mol_16A_des_Cass_list = [] +Std_Dev_E_per_area_16A_des_Cass_list = [] +for i in range(0, No_runs_per_set_16A_des_Cass): + Average_of_mu_list = [] + Average_of_E_per_area_list_iteration = [] + for j in range(0, No_independant_run_sets_per_16A_des_Cass): + evaluate_iteration = i + j * int(No_runs_per_set_16A_des_Cass) + Average_of_mu_list.append(mu_kJ_per_mol_16A_des_Cass[evaluate_iteration]) + Average_of_E_per_area_list_iteration.append(Avg_E_No_water_per_nm_sq_16A_des_Cass[evaluate_iteration]) + + Avg_of_E_per_area_16A_des_Cass_list.append(np.mean(Average_of_E_per_area_list_iteration)) + Avg_mu_kJ_per_mol_16A_des_Cass_list.append(np.mean(Average_of_mu_list)) + Calc_P_div_Po = np.mean(np.exp(mu_kJ_per_mol_16A_des_Cass[i] * slope_Cass + intercept_Cass)) / Psat_at_298K + P_div_Po_16A_des_Cass_list.append(Calc_P_div_Po) + Std_Dev_E_per_area_16A_des_Cass_list.append(np.std(Average_of_E_per_area_list_iteration, ddof=1)) + + +zipped_lists = zip(P_div_Po_16A_des_Cass_list, Avg_of_E_per_area_16A_des_Cass_list, Std_Dev_E_per_area_16A_des_Cass_list) +sorted_pairs = sorted(zipped_lists) +tuples = zip(*sorted_pairs) +P_div_Po_16A_des_Cass_list, Avg_of_E_per_area_16A_des_Cass_list, Std_Dev_E_per_area_16A_des_Cass_list = [ list(tuple) for tuple in tuples] +""" + +#**************************************** +#Plot Number 1 (start) +#**************************************** + +fig1, ax1 = plt.subplots(2, 1, sharex=True) + +plt.xlabel('$P/P_{sat}$', fontname="Arial", fontsize=axis_Label_font_size) +plt.ylabel(' $\u03BE$ (No. waters / nm$^2$)', fontname="Arial", fontsize=axis_Label_font_size) + +ax1[0].set_xticks(np.arange(0, 100, 10)) +ax1[1].set_xticks(np.arange(0, 100, 10)) +ax1[0].set_yticks(np.arange(-200, 200, E_per_nm_sq_10A_step)) +ax1[1].set_yticks(np.arange(-200, 200, E_per_nm_sq_16A_step)) +ax1[0].xaxis.set_major_locator(ticker.LogLocator(base=10.0, numticks=5)) +ax1[1].xaxis.set_major_locator(ticker.LogLocator(base=10.0, numticks=5)) + +WSU_color = '#ff7f0e' +NDU_color = '#1f77b4' + +ax1[0].errorbar(P_div_Po_10A_ads_Cass_list, Avg_of_E_per_area_10A_ads_Cass_list, Std_Dev_E_per_area_10A_ads_Cass_list , + color=NDU_color , marker='D', linestyle='-' , markersize=PointSizes+2, linewidth=ConnectionLineSizes, + fillstyle='full', label= "Cassandra - adsorb", ecolor='k', capsize=4, capthick=2 + , alpha=0.9) #label=File_label_No1 +ax1[0].errorbar(P_div_Po_10A_des_Cass_list, Avg_of_E_per_area_10A_des_Cass_list, Std_Dev_E_per_area_10A_des_Cass_list, + color=NDU_color, marker='D', linestyle='--' , markersize=PointSizes+2, linewidth=ConnectionLineSizes, + fillstyle='none', label= "Cassandra - desorb", ecolor='dimgrey', capsize=4, capthick=2 + , alpha=0.7) + +mu_kJ_per_mol_16A_des_Cass = calc_data_16A_des_Cass_df.loc[:, 'mu-cassandra_kJmol' ].tolist() + +Avg_E_No_water_per_nm_sq_10A_ads_Cass = calc_data_10A_ads_Cass_df.loc[:, 'nmols_per_nm^2' ].tolist() + +ax1[0].errorbar(Psat_ratio_10A_ads, Avg_E_No_water_per_nm_sq_10A_ads, StdDev_E_No_water_per_nm_sq_10A_ads, + color=WSU_color , marker='o', linestyle='-' , markersize=PointSizes, linewidth=ConnectionLineSizes, + fillstyle='full', label= "GOMC - adsorb", ecolor='k', capsize=0.5, capthick=1 + , alpha=0.9) +ax1[0].errorbar(Psat_ratio_10A_des, Avg_E_No_water_per_nm_sq_10A_des, StdDev_E_No_water_per_nm_sq_10A_des, + color=WSU_color , marker='o', linestyle='--' , markersize=PointSizes, linewidth=ConnectionLineSizes, + fillstyle='none', label= "GOMC - desorb", ecolor='dimgrey', capsize=0.5, capthick=1 + , alpha=0.7) + +ax1[1].errorbar(P_div_Po_16A_ads_Cass_list, Avg_of_E_per_area_16A_ads_Cass_list, Std_Dev_E_per_area_16A_ads_Cass_list, + color=NDU_color , marker='D', linestyle='-' , markersize=PointSizes+2, linewidth=ConnectionLineSizes, + fillstyle='full', ecolor='k', capsize=4, capthick=2 + , alpha=0.9) +ax1[1].errorbar(P_div_Po_16A_des_Cass_list, Avg_of_E_per_area_16A_des_Cass_list, Std_Dev_E_per_area_16A_des_Cass_list, + color=NDU_color, marker='D', linestyle='--' , markersize=PointSizes+2, linewidth=ConnectionLineSizes, + fillstyle='none', ecolor='dimgrey', capsize=4, capthick=2 + , alpha=0.7) + +ax1[1].errorbar(Psat_ratio_16A_ads, Avg_E_No_water_per_nm_sq_16A_ads, StdDev_E_No_water_per_nm_sq_16A_ads, + color=WSU_color , marker='o', linestyle='-' , markersize=PointSizes, linewidth=ConnectionLineSizes, + fillstyle='full', ecolor='k', capsize=0.5, capthick=1 + , alpha=0.9) +ax1[1].errorbar(Psat_ratio_16A_des, Avg_E_No_water_per_nm_sq_16A_des, StdDev_E_No_water_per_nm_sq_16A_des, + color=WSU_color , marker='o', linestyle='--' , markersize=PointSizes, linewidth=ConnectionLineSizes, + fillstyle='none', ecolor='dimgrey', capsize=0.5, capthick=1 + , alpha=0.7) + + +ax1[0].plot(Psat_ratio_10A_ads_Gubbins, Avg_E_No_water_per_nm_sq_10A_ads_Gubbins, + color='darkred', marker='s', linestyle='-' , markersize=PointSizes+2, linewidth=ConnectionLineSizes, + fillstyle='full', label= "Striolo - adsorb", alpha=0.5) +ax1[0].plot(Psat_ratio_10A_des_Gubbins, Avg_E_No_water_per_nm_sq_10A_des_Gubbins, + color='darkred', marker='s', linestyle='--' , markersize=PointSizes+2, linewidth=ConnectionLineSizes, + fillstyle='none', label= "Striolo - desorb", alpha=0.5) + +ax1[1].plot(Psat_ratio_16A_ads_Gubbins, Avg_E_No_water_per_nm_sq_16A_ads_Gubbins, + color='darkred', marker='s', linestyle='-' , markersize=PointSizes+2, linewidth=ConnectionLineSizes, + fillstyle='full', label= "Striolo - adsorb", alpha=0.5) +ax1[1].plot(Psat_ratio_16A_des_Gubbins, Avg_E_No_water_per_nm_sq_16A_des_Gubbins, + color='darkred', marker='s', linestyle='--' , markersize=PointSizes+2, linewidth=ConnectionLineSizes, + fillstyle='none', label= "Striolo - desorb", alpha=0.5) + +ax1[0].tick_params(axis='both', which='minor', length=2, width=1, labelsize=axis_number_font_size, top=True, right=True, direction='in') +ax1[1].tick_params(axis='both', which='minor', length=2, width=1, labelsize=axis_number_font_size, top=True, right=True, direction='in') + +ax1[0].tick_params(axis='both', which='major', length=4, width=2, labelsize=axis_number_font_size, top=True, right=True, direction='in') +ax1[1].tick_params(axis='both', which='major', length=4, width=2, labelsize=axis_number_font_size, top=True, right=True, direction='in') + +ax1[0].legend(ncol=2,loc='upper left', fontsize=legend_font_size, prop={'family':'Arial','size': legend_font_size}, framealpha=1,bbox_to_anchor=(-0.22, 2.05)) + +ax1[0].text(0.0020, 6.1, "1.0 nm slit", fontsize=legend_font_size) +ax1[1].text(0.0020, 12.2, "1.6 nm slit", fontsize=legend_font_size) + +plt.tight_layout() # centers layout nice for final paper + +plt.gcf().subplots_adjust(left=None, bottom=None, right=None, top=0.70, wspace=None, hspace=None) # moves plot so x label not cutoff + +plt.xscale("log") +fig1.subplots_adjust(hspace=0) + +plt.xlim(Psat_div_Po_min, Psat_div_Po_max) # set plot range on x axis +ax1[0].set_ylim(E_per_nm_sq_10A_min, E_per_nm_sq_10A_max) # set plot range on y axis +ax1[1].set_ylim(E_per_nm_sq_16A_min, E_per_nm_sq_16A_max) # set plot range on y axis + +ax1[0].grid() +ax1[1].grid() + + +plt.show() +fig1.savefig(E_vs_P_Psat_saving_name) +#**************************************** +#Plot Number 1 (end) +#**************************************** + + diff --git a/simulations/Psat_SPCE_298K/gomc/README.md b/simulations/Psat_SPCE_298K/gomc/README.md new file mode 100644 index 0000000..c79b197 --- /dev/null +++ b/simulations/Psat_SPCE_298K/gomc/README.md @@ -0,0 +1,122 @@ + +## Instructions to build and run the GOMC saturation pressure (Psat) simulations for SPC/E water at 298K: + +### GOMC saturation pressure (Psat) simulations (GEMC-NVT) +The GOMC simulations in this folder simulate the saturation pressure (Psat) of water. The instructions recreating these simulations are provided below. +Note: These simulations do require a liquid water box stabilization step, but are listed as optional since they are already simulated and provided. These simulations provide the saturation pressure (Psat) of water, which normalizes the data for the rest of the simulations. +* Part 1 (optional) : Create a stabilized water box as a starting point for the GOMC saturation pressure (Psat) simulations +* Part 2 : GOMC saturation pressure (Psat) simulations (GEMC-NVT) + + + +## Part 1 (optional) : Create a stabilized water box as a starting point for the GOMC saturation pressure (Psat) simulations + +### Step 1 : Activate the conda environment +1) Open a terminal window and activate the conda environment +* conda activate slitpore37 + + +### Step 2 : build the coordinate, topology, and force field files (PDB, PSF, and FF (.inp)) +1) Change the terminal window directory to the build_liq_vap_boxes directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/Psat_SPCE_298K/gomc/build_liq_vap_boxes). Assuming you are in the Psat_SPCE_298K gomc directory (mosdef_slitpore/mosdef_slitpore/simulations/Psat_SPCE_298K/gomc). +* cd build_liq_vap_boxes + +2) Run the python build script +* python GEMC_NVT_Psat_water_298K.py + + +### Step 3 : Run the GOMC simulations +Note: There is only 1 simulation to run. + +1) Change the terminal window directory to the set1 directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/Psat_SPCE_298K/gomc/equilb_liq_box/NPT). +* cd ../equilb_liq_box/NPT + +2) Obtaining the explicit path, "full_path_to_GOMC_bin_folder". See the Additional Information Section, Process #2 below. +Note: For a laptop or Desktop, Process #1 in the Additional Information Section can also be used so the "full_path_to_GOMC_bin_folder" does not need to be specified, but it will need to be done every time you open a terminal window + +3) Run the GOMC code. These instructions are only for running on a laptop or desktop. If you are submitting these runs to an HPC system, you will need to provide your own submissions scripts since none are provided. If available, use 2 to 8 cores (i.e., +p2 to +p8) for these simulations. +Run the code using the CPU: +* "full_path_to_GOMC_bin_folder"/GOMC_CPU_NPT +p2 liquid_water_NPT.conf > out.dat + +Alternatively, Run the code using the CPU/GPU: +* "full_path_to_GOMC_bin_folder"/GOMC_GPU_NPT +p2 liquid_water_NPT.conf > out.dat + + +### Step 4 : Analyze the data +No analysis is required since this is just an equilibriated starting point for Part 2. + + + +## Part 2 : GOMC saturation pressure (Psat) simulations (GEMC-NVT) + +### Step 1 : Activate the conda environment +1) Open a terminal window and activate the conda environment +* conda activate slitpore37 + + +### Step 2 : build the coordinate, topology, and force field files (PDB, PSF, and FF (.inp)) +1) Change the terminal window directory to the build_liq_vap_boxes directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/Psat_SPCE_298K/gomc/build_liq_vap_boxes). Assuming you are in the Psat_SPCE_298K gomc directory (mosdef_slitpore/mosdef_slitpore/simulations/Psat_SPCE_298K/gomc). +* cd build_liq_vap_boxes + +2) Run the python build script +* python GEMC_NVT_Psat_water_298K.py + + +### Step 3 : Run the GOMC simulations +Note: The process is detailed for set1 below, which is the only set for these simulations. + +1) Change the terminal window directory to the set1 directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/Psat_SPCE_298K/gomc/set1/1r1). +* cd ../set1 + +2) Obtaining the explicit path, "full_path_to_GOMC_bin_folder". See the Additional Information Section, Process #2 below. +Note: For a laptop or Desktop, Process #1 in the Additional Information Section can also be used so the "full_path_to_GOMC_bin_folder" does not need to be specified, but it will need to be done every time you open a terminal window + +3) Run the GOMC code. This will need to be done for each set and the 5 runs per set (1r1, 1r2, 1r3, 1r4, and 1r5). +The instructions below only show the process for set1's 1r1 folder or run. These instructions are only for running on a laptop or desktop. If you are submitting these runs to an HPC system, you will need to provide your own submissions scripts since none are provided. If available, use 2 to 8 cores (i.e., +p2 to +p8) for these simulations. +* cd 1r1 +Run the code using the CPU: +* "full_path_to_GOMC_bin_folder"/GOMC_CPU_GEMC +p2 water_GEMC_NVT_298K.conf > out.dat + +Alternatively, Run the code using the CPU/GPU: +* "full_path_to_GOMC_bin_folder"/GOMC_GPU_GEMC +p2 water_GEMC_NVT_298K.conf > out.dat + + + +### Step 4 : Analyze the data +Change the directory to the analysis folder (mosdef_slitpore/mosdef_slitpore/simulations/Psat_SPCE_298K/gomc/analysis). This can be done from the last step or from the main folder (mosdef_slitpore/mosdef_slitpore/simulations/Psat_SPCE_298K/gomc). The analyis files will be printed in this analysis folder. +Option 1: from the last step +* cd ../../analysis +Option 2: from the main folder +* cd analysis +Run the two (2) python analysis scripts +* python Data_analysis.py + + + + + + + +## Additional Information: + +### Process 1 : Obtaining the a temporary path to the GOMC executable file (only works while you have that terminal window open) +How to set a temporary GOMC file path once GOMC is compiled +Note: the below would need to be completed every time you open a new terminal window. +Open a new terminal window and change the directory to the GOMC directory/folder, then run: +* ls ./bin +Add the GOMC bin folder to our path, so the executable file can be called without the full path infront of it (i.e., by GOMC_CPU_GCMC, GOMC_CPU_GEMC, or GOMC_CPU_NVT) +* LOC_GOMC="$(pwd)/bin" +* export PATH="${LOC_GOMC}:$PATH" + + +### Process 2 : Obtaining the explicit path, "full_path_to_GOMC_bin_folder", to the GOMC executable using the 'pwd' command, assuming you are already in the GOMC directory. +Open a new terminal window and change the directory to the GOMC directory/folder, then run: +* cd bin +The output in the terminal window after running the pwd command is the "full_path_to_GOMC_bin_folder" . +* pwd + +Note: For the examples below, the quotes ("") in the "full_path_to_GOMC_bin_folder" are to specify that this is not the acutal folder name. Therefore, do not enter the quotes ("") in the "full_path_to_GOMC_bin_folder", just enter full_path_to_GOMC_bin_folder +* Example 1: (GCMC executable path with executable file): "full_path_to_GOMC_bin_folder"/GOMC_CPU_GCMC ; + +* Example 2: (general GOMC executable path with executable file) : "full_path_to_GOMC_bin_folder"/GOMC_XXX_aaaa + +* Example 3: (terminal code to run GOMC with Y cores from the directory containing the in.conf file) : "full_path_to_GOMC_bin_folder"/GOMC_XXX_aaaa +pY in.conf > out.dat diff --git a/simulations/Psat_SPCE_298K/gomc/Generate_liq_vap_boxes/.ipynb_checkpoints/Example_GOMC_TraPPE-checkpoint.ipynb b/simulations/Psat_SPCE_298K/gomc/build_liq_vap_boxes/.ipynb_checkpoints/Example_GOMC_TraPPE-checkpoint.ipynb similarity index 100% rename from simulations/Psat_SPCE_298K/gomc/Generate_liq_vap_boxes/.ipynb_checkpoints/Example_GOMC_TraPPE-checkpoint.ipynb rename to simulations/Psat_SPCE_298K/gomc/build_liq_vap_boxes/.ipynb_checkpoints/Example_GOMC_TraPPE-checkpoint.ipynb diff --git a/simulations/Psat_SPCE_298K/gomc/Generate_liq_vap_boxes/GEMC_NVT_Psat_water_298K.py b/simulations/Psat_SPCE_298K/gomc/build_liq_vap_boxes/GEMC_NVT_Psat_water_298K.py similarity index 87% rename from simulations/Psat_SPCE_298K/gomc/Generate_liq_vap_boxes/GEMC_NVT_Psat_water_298K.py rename to simulations/Psat_SPCE_298K/gomc/build_liq_vap_boxes/GEMC_NVT_Psat_water_298K.py index 61d8b06..11fc577 100644 --- a/simulations/Psat_SPCE_298K/gomc/Generate_liq_vap_boxes/GEMC_NVT_Psat_water_298K.py +++ b/simulations/Psat_SPCE_298K/gomc/build_liq_vap_boxes/GEMC_NVT_Psat_water_298K.py @@ -1,13 +1,15 @@ import mbuild as mb from foyer import Forcefield -import mbuild.formats.charmm_writer as mf_charmm +import sys +sys.path.append('../../../../') +from mosdef_slitpore.utils import charmm_writer as mf_charmm Water_res_name = 'H2O' FF_file_water = '../../../../mosdef_slitpore/ffxml/pore-spce.xml' water = mb.load('O', smiles=True) water.name = Water_res_name -water.energy_minimization(forcefield = FF_file_water , steps=10**9) +water.energy_minimize(forcefield = FF_file_water , steps=10**9) FF_Dict = {water.name: FF_file_water } @@ -38,7 +40,7 @@ 'Box_0_liq_water_30A_L_cubed_box', structure_1 = water_box_vap , filename_1 = 'Box_1_vap_water_600A_L_cubed_box', - GOMC_FF_filename ="GOMC_water_FF" , + FF_filename ="GOMC_water_FF" , forcefield_files = FF_Dict, residues= residues_List , Bead_to_atom_name_dict = None, diff --git a/simulations/Psat_SPCE_298K/gomc/equilb_liq_box/NPT/Output_data_merged.psf b/simulations/Psat_SPCE_298K/gomc/equilb_liq_box/NPT/Output_data_merged.psf index f6c26de..a884e95 100644 --- a/simulations/Psat_SPCE_298K/gomc/equilb_liq_box/NPT/Output_data_merged.psf +++ b/simulations/Psat_SPCE_298K/gomc/equilb_liq_box/NPT/Output_data_merged.psf @@ -5,2577 +5,2577 @@ PSF REMARKS Contains Geometry data for molecules in ALL boxes in the system 2571 !NATOM - 1 H2O 1 H2O O1 2 -0.847600 15.9994 0 - 2 H2O 1 H2O H1 1 0.423800 1.0079 0 - 3 H2O 1 H2O H2 1 0.423800 1.0079 0 - 4 H2O 2 H2O O1 2 -0.847600 15.9994 0 - 5 H2O 2 H2O H1 1 0.423800 1.0079 0 - 6 H2O 2 H2O H2 1 0.423800 1.0079 0 - 7 H2O 3 H2O O1 2 -0.847600 15.9994 0 - 8 H2O 3 H2O H1 1 0.423800 1.0079 0 - 9 H2O 3 H2O H2 1 0.423800 1.0079 0 - 10 H2O 4 H2O O1 2 -0.847600 15.9994 0 - 11 H2O 4 H2O H1 1 0.423800 1.0079 0 - 12 H2O 4 H2O H2 1 0.423800 1.0079 0 - 13 H2O 5 H2O O1 2 -0.847600 15.9994 0 - 14 H2O 5 H2O H1 1 0.423800 1.0079 0 - 15 H2O 5 H2O H2 1 0.423800 1.0079 0 - 16 H2O 6 H2O O1 2 -0.847600 15.9994 0 - 17 H2O 6 H2O H1 1 0.423800 1.0079 0 - 18 H2O 6 H2O H2 1 0.423800 1.0079 0 - 19 H2O 7 H2O O1 2 -0.847600 15.9994 0 - 20 H2O 7 H2O H1 1 0.423800 1.0079 0 - 21 H2O 7 H2O H2 1 0.423800 1.0079 0 - 22 H2O 8 H2O O1 2 -0.847600 15.9994 0 - 23 H2O 8 H2O H1 1 0.423800 1.0079 0 - 24 H2O 8 H2O H2 1 0.423800 1.0079 0 - 25 H2O 9 H2O O1 2 -0.847600 15.9994 0 - 26 H2O 9 H2O H1 1 0.423800 1.0079 0 - 27 H2O 9 H2O H2 1 0.423800 1.0079 0 - 28 H2O 10 H2O O1 2 -0.847600 15.9994 0 - 29 H2O 10 H2O H1 1 0.423800 1.0079 0 - 30 H2O 10 H2O H2 1 0.423800 1.0079 0 - 31 H2O 11 H2O O1 2 -0.847600 15.9994 0 - 32 H2O 11 H2O H1 1 0.423800 1.0079 0 - 33 H2O 11 H2O H2 1 0.423800 1.0079 0 - 34 H2O 12 H2O O1 2 -0.847600 15.9994 0 - 35 H2O 12 H2O H1 1 0.423800 1.0079 0 - 36 H2O 12 H2O H2 1 0.423800 1.0079 0 - 37 H2O 13 H2O O1 2 -0.847600 15.9994 0 - 38 H2O 13 H2O H1 1 0.423800 1.0079 0 - 39 H2O 13 H2O H2 1 0.423800 1.0079 0 - 40 H2O 14 H2O O1 2 -0.847600 15.9994 0 - 41 H2O 14 H2O H1 1 0.423800 1.0079 0 - 42 H2O 14 H2O H2 1 0.423800 1.0079 0 - 43 H2O 15 H2O O1 2 -0.847600 15.9994 0 - 44 H2O 15 H2O H1 1 0.423800 1.0079 0 - 45 H2O 15 H2O H2 1 0.423800 1.0079 0 - 46 H2O 16 H2O O1 2 -0.847600 15.9994 0 - 47 H2O 16 H2O H1 1 0.423800 1.0079 0 - 48 H2O 16 H2O H2 1 0.423800 1.0079 0 - 49 H2O 17 H2O O1 2 -0.847600 15.9994 0 - 50 H2O 17 H2O H1 1 0.423800 1.0079 0 - 51 H2O 17 H2O H2 1 0.423800 1.0079 0 - 52 H2O 18 H2O O1 2 -0.847600 15.9994 0 - 53 H2O 18 H2O H1 1 0.423800 1.0079 0 - 54 H2O 18 H2O H2 1 0.423800 1.0079 0 - 55 H2O 19 H2O O1 2 -0.847600 15.9994 0 - 56 H2O 19 H2O H1 1 0.423800 1.0079 0 - 57 H2O 19 H2O H2 1 0.423800 1.0079 0 - 58 H2O 20 H2O O1 2 -0.847600 15.9994 0 - 59 H2O 20 H2O H1 1 0.423800 1.0079 0 - 60 H2O 20 H2O H2 1 0.423800 1.0079 0 - 61 H2O 21 H2O O1 2 -0.847600 15.9994 0 - 62 H2O 21 H2O H1 1 0.423800 1.0079 0 - 63 H2O 21 H2O H2 1 0.423800 1.0079 0 - 64 H2O 22 H2O O1 2 -0.847600 15.9994 0 - 65 H2O 22 H2O H1 1 0.423800 1.0079 0 - 66 H2O 22 H2O H2 1 0.423800 1.0079 0 - 67 H2O 23 H2O O1 2 -0.847600 15.9994 0 - 68 H2O 23 H2O H1 1 0.423800 1.0079 0 - 69 H2O 23 H2O H2 1 0.423800 1.0079 0 - 70 H2O 24 H2O O1 2 -0.847600 15.9994 0 - 71 H2O 24 H2O H1 1 0.423800 1.0079 0 - 72 H2O 24 H2O H2 1 0.423800 1.0079 0 - 73 H2O 25 H2O O1 2 -0.847600 15.9994 0 - 74 H2O 25 H2O H1 1 0.423800 1.0079 0 - 75 H2O 25 H2O H2 1 0.423800 1.0079 0 - 76 H2O 26 H2O O1 2 -0.847600 15.9994 0 - 77 H2O 26 H2O H1 1 0.423800 1.0079 0 - 78 H2O 26 H2O H2 1 0.423800 1.0079 0 - 79 H2O 27 H2O O1 2 -0.847600 15.9994 0 - 80 H2O 27 H2O H1 1 0.423800 1.0079 0 - 81 H2O 27 H2O H2 1 0.423800 1.0079 0 - 82 H2O 28 H2O O1 2 -0.847600 15.9994 0 - 83 H2O 28 H2O H1 1 0.423800 1.0079 0 - 84 H2O 28 H2O H2 1 0.423800 1.0079 0 - 85 H2O 29 H2O O1 2 -0.847600 15.9994 0 - 86 H2O 29 H2O H1 1 0.423800 1.0079 0 - 87 H2O 29 H2O H2 1 0.423800 1.0079 0 - 88 H2O 30 H2O O1 2 -0.847600 15.9994 0 - 89 H2O 30 H2O H1 1 0.423800 1.0079 0 - 90 H2O 30 H2O H2 1 0.423800 1.0079 0 - 91 H2O 31 H2O O1 2 -0.847600 15.9994 0 - 92 H2O 31 H2O H1 1 0.423800 1.0079 0 - 93 H2O 31 H2O H2 1 0.423800 1.0079 0 - 94 H2O 32 H2O O1 2 -0.847600 15.9994 0 - 95 H2O 32 H2O H1 1 0.423800 1.0079 0 - 96 H2O 32 H2O H2 1 0.423800 1.0079 0 - 97 H2O 33 H2O O1 2 -0.847600 15.9994 0 - 98 H2O 33 H2O H1 1 0.423800 1.0079 0 - 99 H2O 33 H2O H2 1 0.423800 1.0079 0 - 100 H2O 34 H2O O1 2 -0.847600 15.9994 0 - 101 H2O 34 H2O H1 1 0.423800 1.0079 0 - 102 H2O 34 H2O H2 1 0.423800 1.0079 0 - 103 H2O 35 H2O O1 2 -0.847600 15.9994 0 - 104 H2O 35 H2O H1 1 0.423800 1.0079 0 - 105 H2O 35 H2O H2 1 0.423800 1.0079 0 - 106 H2O 36 H2O O1 2 -0.847600 15.9994 0 - 107 H2O 36 H2O H1 1 0.423800 1.0079 0 - 108 H2O 36 H2O H2 1 0.423800 1.0079 0 - 109 H2O 37 H2O O1 2 -0.847600 15.9994 0 - 110 H2O 37 H2O H1 1 0.423800 1.0079 0 - 111 H2O 37 H2O H2 1 0.423800 1.0079 0 - 112 H2O 38 H2O O1 2 -0.847600 15.9994 0 - 113 H2O 38 H2O H1 1 0.423800 1.0079 0 - 114 H2O 38 H2O H2 1 0.423800 1.0079 0 - 115 H2O 39 H2O O1 2 -0.847600 15.9994 0 - 116 H2O 39 H2O H1 1 0.423800 1.0079 0 - 117 H2O 39 H2O H2 1 0.423800 1.0079 0 - 118 H2O 40 H2O O1 2 -0.847600 15.9994 0 - 119 H2O 40 H2O H1 1 0.423800 1.0079 0 - 120 H2O 40 H2O H2 1 0.423800 1.0079 0 - 121 H2O 41 H2O O1 2 -0.847600 15.9994 0 - 122 H2O 41 H2O H1 1 0.423800 1.0079 0 - 123 H2O 41 H2O H2 1 0.423800 1.0079 0 - 124 H2O 42 H2O O1 2 -0.847600 15.9994 0 - 125 H2O 42 H2O H1 1 0.423800 1.0079 0 - 126 H2O 42 H2O H2 1 0.423800 1.0079 0 - 127 H2O 43 H2O O1 2 -0.847600 15.9994 0 - 128 H2O 43 H2O H1 1 0.423800 1.0079 0 - 129 H2O 43 H2O H2 1 0.423800 1.0079 0 - 130 H2O 44 H2O O1 2 -0.847600 15.9994 0 - 131 H2O 44 H2O H1 1 0.423800 1.0079 0 - 132 H2O 44 H2O H2 1 0.423800 1.0079 0 - 133 H2O 45 H2O O1 2 -0.847600 15.9994 0 - 134 H2O 45 H2O H1 1 0.423800 1.0079 0 - 135 H2O 45 H2O H2 1 0.423800 1.0079 0 - 136 H2O 46 H2O O1 2 -0.847600 15.9994 0 - 137 H2O 46 H2O H1 1 0.423800 1.0079 0 - 138 H2O 46 H2O H2 1 0.423800 1.0079 0 - 139 H2O 47 H2O O1 2 -0.847600 15.9994 0 - 140 H2O 47 H2O H1 1 0.423800 1.0079 0 - 141 H2O 47 H2O H2 1 0.423800 1.0079 0 - 142 H2O 48 H2O O1 2 -0.847600 15.9994 0 - 143 H2O 48 H2O H1 1 0.423800 1.0079 0 - 144 H2O 48 H2O H2 1 0.423800 1.0079 0 - 145 H2O 49 H2O O1 2 -0.847600 15.9994 0 - 146 H2O 49 H2O H1 1 0.423800 1.0079 0 - 147 H2O 49 H2O H2 1 0.423800 1.0079 0 - 148 H2O 50 H2O O1 2 -0.847600 15.9994 0 - 149 H2O 50 H2O H1 1 0.423800 1.0079 0 - 150 H2O 50 H2O H2 1 0.423800 1.0079 0 - 151 H2O 51 H2O O1 2 -0.847600 15.9994 0 - 152 H2O 51 H2O H1 1 0.423800 1.0079 0 - 153 H2O 51 H2O H2 1 0.423800 1.0079 0 - 154 H2O 52 H2O O1 2 -0.847600 15.9994 0 - 155 H2O 52 H2O H1 1 0.423800 1.0079 0 - 156 H2O 52 H2O H2 1 0.423800 1.0079 0 - 157 H2O 53 H2O O1 2 -0.847600 15.9994 0 - 158 H2O 53 H2O H1 1 0.423800 1.0079 0 - 159 H2O 53 H2O H2 1 0.423800 1.0079 0 - 160 H2O 54 H2O O1 2 -0.847600 15.9994 0 - 161 H2O 54 H2O H1 1 0.423800 1.0079 0 - 162 H2O 54 H2O H2 1 0.423800 1.0079 0 - 163 H2O 55 H2O O1 2 -0.847600 15.9994 0 - 164 H2O 55 H2O H1 1 0.423800 1.0079 0 - 165 H2O 55 H2O H2 1 0.423800 1.0079 0 - 166 H2O 56 H2O O1 2 -0.847600 15.9994 0 - 167 H2O 56 H2O H1 1 0.423800 1.0079 0 - 168 H2O 56 H2O H2 1 0.423800 1.0079 0 - 169 H2O 57 H2O O1 2 -0.847600 15.9994 0 - 170 H2O 57 H2O H1 1 0.423800 1.0079 0 - 171 H2O 57 H2O H2 1 0.423800 1.0079 0 - 172 H2O 58 H2O O1 2 -0.847600 15.9994 0 - 173 H2O 58 H2O H1 1 0.423800 1.0079 0 - 174 H2O 58 H2O H2 1 0.423800 1.0079 0 - 175 H2O 59 H2O O1 2 -0.847600 15.9994 0 - 176 H2O 59 H2O H1 1 0.423800 1.0079 0 - 177 H2O 59 H2O H2 1 0.423800 1.0079 0 - 178 H2O 60 H2O O1 2 -0.847600 15.9994 0 - 179 H2O 60 H2O H1 1 0.423800 1.0079 0 - 180 H2O 60 H2O H2 1 0.423800 1.0079 0 - 181 H2O 61 H2O O1 2 -0.847600 15.9994 0 - 182 H2O 61 H2O H1 1 0.423800 1.0079 0 - 183 H2O 61 H2O H2 1 0.423800 1.0079 0 - 184 H2O 62 H2O O1 2 -0.847600 15.9994 0 - 185 H2O 62 H2O H1 1 0.423800 1.0079 0 - 186 H2O 62 H2O H2 1 0.423800 1.0079 0 - 187 H2O 63 H2O O1 2 -0.847600 15.9994 0 - 188 H2O 63 H2O H1 1 0.423800 1.0079 0 - 189 H2O 63 H2O H2 1 0.423800 1.0079 0 - 190 H2O 64 H2O O1 2 -0.847600 15.9994 0 - 191 H2O 64 H2O H1 1 0.423800 1.0079 0 - 192 H2O 64 H2O H2 1 0.423800 1.0079 0 - 193 H2O 65 H2O O1 2 -0.847600 15.9994 0 - 194 H2O 65 H2O H1 1 0.423800 1.0079 0 - 195 H2O 65 H2O H2 1 0.423800 1.0079 0 - 196 H2O 66 H2O O1 2 -0.847600 15.9994 0 - 197 H2O 66 H2O H1 1 0.423800 1.0079 0 - 198 H2O 66 H2O H2 1 0.423800 1.0079 0 - 199 H2O 67 H2O O1 2 -0.847600 15.9994 0 - 200 H2O 67 H2O H1 1 0.423800 1.0079 0 - 201 H2O 67 H2O H2 1 0.423800 1.0079 0 - 202 H2O 68 H2O O1 2 -0.847600 15.9994 0 - 203 H2O 68 H2O H1 1 0.423800 1.0079 0 - 204 H2O 68 H2O H2 1 0.423800 1.0079 0 - 205 H2O 69 H2O O1 2 -0.847600 15.9994 0 - 206 H2O 69 H2O H1 1 0.423800 1.0079 0 - 207 H2O 69 H2O H2 1 0.423800 1.0079 0 - 208 H2O 70 H2O O1 2 -0.847600 15.9994 0 - 209 H2O 70 H2O H1 1 0.423800 1.0079 0 - 210 H2O 70 H2O H2 1 0.423800 1.0079 0 - 211 H2O 71 H2O O1 2 -0.847600 15.9994 0 - 212 H2O 71 H2O H1 1 0.423800 1.0079 0 - 213 H2O 71 H2O H2 1 0.423800 1.0079 0 - 214 H2O 72 H2O O1 2 -0.847600 15.9994 0 - 215 H2O 72 H2O H1 1 0.423800 1.0079 0 - 216 H2O 72 H2O H2 1 0.423800 1.0079 0 - 217 H2O 73 H2O O1 2 -0.847600 15.9994 0 - 218 H2O 73 H2O H1 1 0.423800 1.0079 0 - 219 H2O 73 H2O H2 1 0.423800 1.0079 0 - 220 H2O 74 H2O O1 2 -0.847600 15.9994 0 - 221 H2O 74 H2O H1 1 0.423800 1.0079 0 - 222 H2O 74 H2O H2 1 0.423800 1.0079 0 - 223 H2O 75 H2O O1 2 -0.847600 15.9994 0 - 224 H2O 75 H2O H1 1 0.423800 1.0079 0 - 225 H2O 75 H2O H2 1 0.423800 1.0079 0 - 226 H2O 76 H2O O1 2 -0.847600 15.9994 0 - 227 H2O 76 H2O H1 1 0.423800 1.0079 0 - 228 H2O 76 H2O H2 1 0.423800 1.0079 0 - 229 H2O 77 H2O O1 2 -0.847600 15.9994 0 - 230 H2O 77 H2O H1 1 0.423800 1.0079 0 - 231 H2O 77 H2O H2 1 0.423800 1.0079 0 - 232 H2O 78 H2O O1 2 -0.847600 15.9994 0 - 233 H2O 78 H2O H1 1 0.423800 1.0079 0 - 234 H2O 78 H2O H2 1 0.423800 1.0079 0 - 235 H2O 79 H2O O1 2 -0.847600 15.9994 0 - 236 H2O 79 H2O H1 1 0.423800 1.0079 0 - 237 H2O 79 H2O H2 1 0.423800 1.0079 0 - 238 H2O 80 H2O O1 2 -0.847600 15.9994 0 - 239 H2O 80 H2O H1 1 0.423800 1.0079 0 - 240 H2O 80 H2O H2 1 0.423800 1.0079 0 - 241 H2O 81 H2O O1 2 -0.847600 15.9994 0 - 242 H2O 81 H2O H1 1 0.423800 1.0079 0 - 243 H2O 81 H2O H2 1 0.423800 1.0079 0 - 244 H2O 82 H2O O1 2 -0.847600 15.9994 0 - 245 H2O 82 H2O H1 1 0.423800 1.0079 0 - 246 H2O 82 H2O H2 1 0.423800 1.0079 0 - 247 H2O 83 H2O O1 2 -0.847600 15.9994 0 - 248 H2O 83 H2O H1 1 0.423800 1.0079 0 - 249 H2O 83 H2O H2 1 0.423800 1.0079 0 - 250 H2O 84 H2O O1 2 -0.847600 15.9994 0 - 251 H2O 84 H2O H1 1 0.423800 1.0079 0 - 252 H2O 84 H2O H2 1 0.423800 1.0079 0 - 253 H2O 85 H2O O1 2 -0.847600 15.9994 0 - 254 H2O 85 H2O H1 1 0.423800 1.0079 0 - 255 H2O 85 H2O H2 1 0.423800 1.0079 0 - 256 H2O 86 H2O O1 2 -0.847600 15.9994 0 - 257 H2O 86 H2O H1 1 0.423800 1.0079 0 - 258 H2O 86 H2O H2 1 0.423800 1.0079 0 - 259 H2O 87 H2O O1 2 -0.847600 15.9994 0 - 260 H2O 87 H2O H1 1 0.423800 1.0079 0 - 261 H2O 87 H2O H2 1 0.423800 1.0079 0 - 262 H2O 88 H2O O1 2 -0.847600 15.9994 0 - 263 H2O 88 H2O H1 1 0.423800 1.0079 0 - 264 H2O 88 H2O H2 1 0.423800 1.0079 0 - 265 H2O 89 H2O O1 2 -0.847600 15.9994 0 - 266 H2O 89 H2O H1 1 0.423800 1.0079 0 - 267 H2O 89 H2O H2 1 0.423800 1.0079 0 - 268 H2O 90 H2O O1 2 -0.847600 15.9994 0 - 269 H2O 90 H2O H1 1 0.423800 1.0079 0 - 270 H2O 90 H2O H2 1 0.423800 1.0079 0 - 271 H2O 91 H2O O1 2 -0.847600 15.9994 0 - 272 H2O 91 H2O H1 1 0.423800 1.0079 0 - 273 H2O 91 H2O H2 1 0.423800 1.0079 0 - 274 H2O 92 H2O O1 2 -0.847600 15.9994 0 - 275 H2O 92 H2O H1 1 0.423800 1.0079 0 - 276 H2O 92 H2O H2 1 0.423800 1.0079 0 - 277 H2O 93 H2O O1 2 -0.847600 15.9994 0 - 278 H2O 93 H2O H1 1 0.423800 1.0079 0 - 279 H2O 93 H2O H2 1 0.423800 1.0079 0 - 280 H2O 94 H2O O1 2 -0.847600 15.9994 0 - 281 H2O 94 H2O H1 1 0.423800 1.0079 0 - 282 H2O 94 H2O H2 1 0.423800 1.0079 0 - 283 H2O 95 H2O O1 2 -0.847600 15.9994 0 - 284 H2O 95 H2O H1 1 0.423800 1.0079 0 - 285 H2O 95 H2O H2 1 0.423800 1.0079 0 - 286 H2O 96 H2O O1 2 -0.847600 15.9994 0 - 287 H2O 96 H2O H1 1 0.423800 1.0079 0 - 288 H2O 96 H2O H2 1 0.423800 1.0079 0 - 289 H2O 97 H2O O1 2 -0.847600 15.9994 0 - 290 H2O 97 H2O H1 1 0.423800 1.0079 0 - 291 H2O 97 H2O H2 1 0.423800 1.0079 0 - 292 H2O 98 H2O O1 2 -0.847600 15.9994 0 - 293 H2O 98 H2O H1 1 0.423800 1.0079 0 - 294 H2O 98 H2O H2 1 0.423800 1.0079 0 - 295 H2O 99 H2O O1 2 -0.847600 15.9994 0 - 296 H2O 99 H2O H1 1 0.423800 1.0079 0 - 297 H2O 99 H2O H2 1 0.423800 1.0079 0 - 298 H2O 100 H2O O1 2 -0.847600 15.9994 0 - 299 H2O 100 H2O H1 1 0.423800 1.0079 0 - 300 H2O 100 H2O H2 1 0.423800 1.0079 0 - 301 H2O 101 H2O O1 2 -0.847600 15.9994 0 - 302 H2O 101 H2O H1 1 0.423800 1.0079 0 - 303 H2O 101 H2O H2 1 0.423800 1.0079 0 - 304 H2O 102 H2O O1 2 -0.847600 15.9994 0 - 305 H2O 102 H2O H1 1 0.423800 1.0079 0 - 306 H2O 102 H2O H2 1 0.423800 1.0079 0 - 307 H2O 103 H2O O1 2 -0.847600 15.9994 0 - 308 H2O 103 H2O H1 1 0.423800 1.0079 0 - 309 H2O 103 H2O H2 1 0.423800 1.0079 0 - 310 H2O 104 H2O O1 2 -0.847600 15.9994 0 - 311 H2O 104 H2O H1 1 0.423800 1.0079 0 - 312 H2O 104 H2O H2 1 0.423800 1.0079 0 - 313 H2O 105 H2O O1 2 -0.847600 15.9994 0 - 314 H2O 105 H2O H1 1 0.423800 1.0079 0 - 315 H2O 105 H2O H2 1 0.423800 1.0079 0 - 316 H2O 106 H2O O1 2 -0.847600 15.9994 0 - 317 H2O 106 H2O H1 1 0.423800 1.0079 0 - 318 H2O 106 H2O H2 1 0.423800 1.0079 0 - 319 H2O 107 H2O O1 2 -0.847600 15.9994 0 - 320 H2O 107 H2O H1 1 0.423800 1.0079 0 - 321 H2O 107 H2O H2 1 0.423800 1.0079 0 - 322 H2O 108 H2O O1 2 -0.847600 15.9994 0 - 323 H2O 108 H2O H1 1 0.423800 1.0079 0 - 324 H2O 108 H2O H2 1 0.423800 1.0079 0 - 325 H2O 109 H2O O1 2 -0.847600 15.9994 0 - 326 H2O 109 H2O H1 1 0.423800 1.0079 0 - 327 H2O 109 H2O H2 1 0.423800 1.0079 0 - 328 H2O 110 H2O O1 2 -0.847600 15.9994 0 - 329 H2O 110 H2O H1 1 0.423800 1.0079 0 - 330 H2O 110 H2O H2 1 0.423800 1.0079 0 - 331 H2O 111 H2O O1 2 -0.847600 15.9994 0 - 332 H2O 111 H2O H1 1 0.423800 1.0079 0 - 333 H2O 111 H2O H2 1 0.423800 1.0079 0 - 334 H2O 112 H2O O1 2 -0.847600 15.9994 0 - 335 H2O 112 H2O H1 1 0.423800 1.0079 0 - 336 H2O 112 H2O H2 1 0.423800 1.0079 0 - 337 H2O 113 H2O O1 2 -0.847600 15.9994 0 - 338 H2O 113 H2O H1 1 0.423800 1.0079 0 - 339 H2O 113 H2O H2 1 0.423800 1.0079 0 - 340 H2O 114 H2O O1 2 -0.847600 15.9994 0 - 341 H2O 114 H2O H1 1 0.423800 1.0079 0 - 342 H2O 114 H2O H2 1 0.423800 1.0079 0 - 343 H2O 115 H2O O1 2 -0.847600 15.9994 0 - 344 H2O 115 H2O H1 1 0.423800 1.0079 0 - 345 H2O 115 H2O H2 1 0.423800 1.0079 0 - 346 H2O 116 H2O O1 2 -0.847600 15.9994 0 - 347 H2O 116 H2O H1 1 0.423800 1.0079 0 - 348 H2O 116 H2O H2 1 0.423800 1.0079 0 - 349 H2O 117 H2O O1 2 -0.847600 15.9994 0 - 350 H2O 117 H2O H1 1 0.423800 1.0079 0 - 351 H2O 117 H2O H2 1 0.423800 1.0079 0 - 352 H2O 118 H2O O1 2 -0.847600 15.9994 0 - 353 H2O 118 H2O H1 1 0.423800 1.0079 0 - 354 H2O 118 H2O H2 1 0.423800 1.0079 0 - 355 H2O 119 H2O O1 2 -0.847600 15.9994 0 - 356 H2O 119 H2O H1 1 0.423800 1.0079 0 - 357 H2O 119 H2O H2 1 0.423800 1.0079 0 - 358 H2O 120 H2O O1 2 -0.847600 15.9994 0 - 359 H2O 120 H2O H1 1 0.423800 1.0079 0 - 360 H2O 120 H2O H2 1 0.423800 1.0079 0 - 361 H2O 121 H2O O1 2 -0.847600 15.9994 0 - 362 H2O 121 H2O H1 1 0.423800 1.0079 0 - 363 H2O 121 H2O H2 1 0.423800 1.0079 0 - 364 H2O 122 H2O O1 2 -0.847600 15.9994 0 - 365 H2O 122 H2O H1 1 0.423800 1.0079 0 - 366 H2O 122 H2O H2 1 0.423800 1.0079 0 - 367 H2O 123 H2O O1 2 -0.847600 15.9994 0 - 368 H2O 123 H2O H1 1 0.423800 1.0079 0 - 369 H2O 123 H2O H2 1 0.423800 1.0079 0 - 370 H2O 124 H2O O1 2 -0.847600 15.9994 0 - 371 H2O 124 H2O H1 1 0.423800 1.0079 0 - 372 H2O 124 H2O H2 1 0.423800 1.0079 0 - 373 H2O 125 H2O O1 2 -0.847600 15.9994 0 - 374 H2O 125 H2O H1 1 0.423800 1.0079 0 - 375 H2O 125 H2O H2 1 0.423800 1.0079 0 - 376 H2O 126 H2O O1 2 -0.847600 15.9994 0 - 377 H2O 126 H2O H1 1 0.423800 1.0079 0 - 378 H2O 126 H2O H2 1 0.423800 1.0079 0 - 379 H2O 127 H2O O1 2 -0.847600 15.9994 0 - 380 H2O 127 H2O H1 1 0.423800 1.0079 0 - 381 H2O 127 H2O H2 1 0.423800 1.0079 0 - 382 H2O 128 H2O O1 2 -0.847600 15.9994 0 - 383 H2O 128 H2O H1 1 0.423800 1.0079 0 - 384 H2O 128 H2O H2 1 0.423800 1.0079 0 - 385 H2O 129 H2O O1 2 -0.847600 15.9994 0 - 386 H2O 129 H2O H1 1 0.423800 1.0079 0 - 387 H2O 129 H2O H2 1 0.423800 1.0079 0 - 388 H2O 130 H2O O1 2 -0.847600 15.9994 0 - 389 H2O 130 H2O H1 1 0.423800 1.0079 0 - 390 H2O 130 H2O H2 1 0.423800 1.0079 0 - 391 H2O 131 H2O O1 2 -0.847600 15.9994 0 - 392 H2O 131 H2O H1 1 0.423800 1.0079 0 - 393 H2O 131 H2O H2 1 0.423800 1.0079 0 - 394 H2O 132 H2O O1 2 -0.847600 15.9994 0 - 395 H2O 132 H2O H1 1 0.423800 1.0079 0 - 396 H2O 132 H2O H2 1 0.423800 1.0079 0 - 397 H2O 133 H2O O1 2 -0.847600 15.9994 0 - 398 H2O 133 H2O H1 1 0.423800 1.0079 0 - 399 H2O 133 H2O H2 1 0.423800 1.0079 0 - 400 H2O 134 H2O O1 2 -0.847600 15.9994 0 - 401 H2O 134 H2O H1 1 0.423800 1.0079 0 - 402 H2O 134 H2O H2 1 0.423800 1.0079 0 - 403 H2O 135 H2O O1 2 -0.847600 15.9994 0 - 404 H2O 135 H2O H1 1 0.423800 1.0079 0 - 405 H2O 135 H2O H2 1 0.423800 1.0079 0 - 406 H2O 136 H2O O1 2 -0.847600 15.9994 0 - 407 H2O 136 H2O H1 1 0.423800 1.0079 0 - 408 H2O 136 H2O H2 1 0.423800 1.0079 0 - 409 H2O 137 H2O O1 2 -0.847600 15.9994 0 - 410 H2O 137 H2O H1 1 0.423800 1.0079 0 - 411 H2O 137 H2O H2 1 0.423800 1.0079 0 - 412 H2O 138 H2O O1 2 -0.847600 15.9994 0 - 413 H2O 138 H2O H1 1 0.423800 1.0079 0 - 414 H2O 138 H2O H2 1 0.423800 1.0079 0 - 415 H2O 139 H2O O1 2 -0.847600 15.9994 0 - 416 H2O 139 H2O H1 1 0.423800 1.0079 0 - 417 H2O 139 H2O H2 1 0.423800 1.0079 0 - 418 H2O 140 H2O O1 2 -0.847600 15.9994 0 - 419 H2O 140 H2O H1 1 0.423800 1.0079 0 - 420 H2O 140 H2O H2 1 0.423800 1.0079 0 - 421 H2O 141 H2O O1 2 -0.847600 15.9994 0 - 422 H2O 141 H2O H1 1 0.423800 1.0079 0 - 423 H2O 141 H2O H2 1 0.423800 1.0079 0 - 424 H2O 142 H2O O1 2 -0.847600 15.9994 0 - 425 H2O 142 H2O H1 1 0.423800 1.0079 0 - 426 H2O 142 H2O H2 1 0.423800 1.0079 0 - 427 H2O 143 H2O O1 2 -0.847600 15.9994 0 - 428 H2O 143 H2O H1 1 0.423800 1.0079 0 - 429 H2O 143 H2O H2 1 0.423800 1.0079 0 - 430 H2O 144 H2O O1 2 -0.847600 15.9994 0 - 431 H2O 144 H2O H1 1 0.423800 1.0079 0 - 432 H2O 144 H2O H2 1 0.423800 1.0079 0 - 433 H2O 145 H2O O1 2 -0.847600 15.9994 0 - 434 H2O 145 H2O H1 1 0.423800 1.0079 0 - 435 H2O 145 H2O H2 1 0.423800 1.0079 0 - 436 H2O 146 H2O O1 2 -0.847600 15.9994 0 - 437 H2O 146 H2O H1 1 0.423800 1.0079 0 - 438 H2O 146 H2O H2 1 0.423800 1.0079 0 - 439 H2O 147 H2O O1 2 -0.847600 15.9994 0 - 440 H2O 147 H2O H1 1 0.423800 1.0079 0 - 441 H2O 147 H2O H2 1 0.423800 1.0079 0 - 442 H2O 148 H2O O1 2 -0.847600 15.9994 0 - 443 H2O 148 H2O H1 1 0.423800 1.0079 0 - 444 H2O 148 H2O H2 1 0.423800 1.0079 0 - 445 H2O 149 H2O O1 2 -0.847600 15.9994 0 - 446 H2O 149 H2O H1 1 0.423800 1.0079 0 - 447 H2O 149 H2O H2 1 0.423800 1.0079 0 - 448 H2O 150 H2O O1 2 -0.847600 15.9994 0 - 449 H2O 150 H2O H1 1 0.423800 1.0079 0 - 450 H2O 150 H2O H2 1 0.423800 1.0079 0 - 451 H2O 151 H2O O1 2 -0.847600 15.9994 0 - 452 H2O 151 H2O H1 1 0.423800 1.0079 0 - 453 H2O 151 H2O H2 1 0.423800 1.0079 0 - 454 H2O 152 H2O O1 2 -0.847600 15.9994 0 - 455 H2O 152 H2O H1 1 0.423800 1.0079 0 - 456 H2O 152 H2O H2 1 0.423800 1.0079 0 - 457 H2O 153 H2O O1 2 -0.847600 15.9994 0 - 458 H2O 153 H2O H1 1 0.423800 1.0079 0 - 459 H2O 153 H2O H2 1 0.423800 1.0079 0 - 460 H2O 154 H2O O1 2 -0.847600 15.9994 0 - 461 H2O 154 H2O H1 1 0.423800 1.0079 0 - 462 H2O 154 H2O H2 1 0.423800 1.0079 0 - 463 H2O 155 H2O O1 2 -0.847600 15.9994 0 - 464 H2O 155 H2O H1 1 0.423800 1.0079 0 - 465 H2O 155 H2O H2 1 0.423800 1.0079 0 - 466 H2O 156 H2O O1 2 -0.847600 15.9994 0 - 467 H2O 156 H2O H1 1 0.423800 1.0079 0 - 468 H2O 156 H2O H2 1 0.423800 1.0079 0 - 469 H2O 157 H2O O1 2 -0.847600 15.9994 0 - 470 H2O 157 H2O H1 1 0.423800 1.0079 0 - 471 H2O 157 H2O H2 1 0.423800 1.0079 0 - 472 H2O 158 H2O O1 2 -0.847600 15.9994 0 - 473 H2O 158 H2O H1 1 0.423800 1.0079 0 - 474 H2O 158 H2O H2 1 0.423800 1.0079 0 - 475 H2O 159 H2O O1 2 -0.847600 15.9994 0 - 476 H2O 159 H2O H1 1 0.423800 1.0079 0 - 477 H2O 159 H2O H2 1 0.423800 1.0079 0 - 478 H2O 160 H2O O1 2 -0.847600 15.9994 0 - 479 H2O 160 H2O H1 1 0.423800 1.0079 0 - 480 H2O 160 H2O H2 1 0.423800 1.0079 0 - 481 H2O 161 H2O O1 2 -0.847600 15.9994 0 - 482 H2O 161 H2O H1 1 0.423800 1.0079 0 - 483 H2O 161 H2O H2 1 0.423800 1.0079 0 - 484 H2O 162 H2O O1 2 -0.847600 15.9994 0 - 485 H2O 162 H2O H1 1 0.423800 1.0079 0 - 486 H2O 162 H2O H2 1 0.423800 1.0079 0 - 487 H2O 163 H2O O1 2 -0.847600 15.9994 0 - 488 H2O 163 H2O H1 1 0.423800 1.0079 0 - 489 H2O 163 H2O H2 1 0.423800 1.0079 0 - 490 H2O 164 H2O O1 2 -0.847600 15.9994 0 - 491 H2O 164 H2O H1 1 0.423800 1.0079 0 - 492 H2O 164 H2O H2 1 0.423800 1.0079 0 - 493 H2O 165 H2O O1 2 -0.847600 15.9994 0 - 494 H2O 165 H2O H1 1 0.423800 1.0079 0 - 495 H2O 165 H2O H2 1 0.423800 1.0079 0 - 496 H2O 166 H2O O1 2 -0.847600 15.9994 0 - 497 H2O 166 H2O H1 1 0.423800 1.0079 0 - 498 H2O 166 H2O H2 1 0.423800 1.0079 0 - 499 H2O 167 H2O O1 2 -0.847600 15.9994 0 - 500 H2O 167 H2O H1 1 0.423800 1.0079 0 - 501 H2O 167 H2O H2 1 0.423800 1.0079 0 - 502 H2O 168 H2O O1 2 -0.847600 15.9994 0 - 503 H2O 168 H2O H1 1 0.423800 1.0079 0 - 504 H2O 168 H2O H2 1 0.423800 1.0079 0 - 505 H2O 169 H2O O1 2 -0.847600 15.9994 0 - 506 H2O 169 H2O H1 1 0.423800 1.0079 0 - 507 H2O 169 H2O H2 1 0.423800 1.0079 0 - 508 H2O 170 H2O O1 2 -0.847600 15.9994 0 - 509 H2O 170 H2O H1 1 0.423800 1.0079 0 - 510 H2O 170 H2O H2 1 0.423800 1.0079 0 - 511 H2O 171 H2O O1 2 -0.847600 15.9994 0 - 512 H2O 171 H2O H1 1 0.423800 1.0079 0 - 513 H2O 171 H2O H2 1 0.423800 1.0079 0 - 514 H2O 172 H2O O1 2 -0.847600 15.9994 0 - 515 H2O 172 H2O H1 1 0.423800 1.0079 0 - 516 H2O 172 H2O H2 1 0.423800 1.0079 0 - 517 H2O 173 H2O O1 2 -0.847600 15.9994 0 - 518 H2O 173 H2O H1 1 0.423800 1.0079 0 - 519 H2O 173 H2O H2 1 0.423800 1.0079 0 - 520 H2O 174 H2O O1 2 -0.847600 15.9994 0 - 521 H2O 174 H2O H1 1 0.423800 1.0079 0 - 522 H2O 174 H2O H2 1 0.423800 1.0079 0 - 523 H2O 175 H2O O1 2 -0.847600 15.9994 0 - 524 H2O 175 H2O H1 1 0.423800 1.0079 0 - 525 H2O 175 H2O H2 1 0.423800 1.0079 0 - 526 H2O 176 H2O O1 2 -0.847600 15.9994 0 - 527 H2O 176 H2O H1 1 0.423800 1.0079 0 - 528 H2O 176 H2O H2 1 0.423800 1.0079 0 - 529 H2O 177 H2O O1 2 -0.847600 15.9994 0 - 530 H2O 177 H2O H1 1 0.423800 1.0079 0 - 531 H2O 177 H2O H2 1 0.423800 1.0079 0 - 532 H2O 178 H2O O1 2 -0.847600 15.9994 0 - 533 H2O 178 H2O H1 1 0.423800 1.0079 0 - 534 H2O 178 H2O H2 1 0.423800 1.0079 0 - 535 H2O 179 H2O O1 2 -0.847600 15.9994 0 - 536 H2O 179 H2O H1 1 0.423800 1.0079 0 - 537 H2O 179 H2O H2 1 0.423800 1.0079 0 - 538 H2O 180 H2O O1 2 -0.847600 15.9994 0 - 539 H2O 180 H2O H1 1 0.423800 1.0079 0 - 540 H2O 180 H2O H2 1 0.423800 1.0079 0 - 541 H2O 181 H2O O1 2 -0.847600 15.9994 0 - 542 H2O 181 H2O H1 1 0.423800 1.0079 0 - 543 H2O 181 H2O H2 1 0.423800 1.0079 0 - 544 H2O 182 H2O O1 2 -0.847600 15.9994 0 - 545 H2O 182 H2O H1 1 0.423800 1.0079 0 - 546 H2O 182 H2O H2 1 0.423800 1.0079 0 - 547 H2O 183 H2O O1 2 -0.847600 15.9994 0 - 548 H2O 183 H2O H1 1 0.423800 1.0079 0 - 549 H2O 183 H2O H2 1 0.423800 1.0079 0 - 550 H2O 184 H2O O1 2 -0.847600 15.9994 0 - 551 H2O 184 H2O H1 1 0.423800 1.0079 0 - 552 H2O 184 H2O H2 1 0.423800 1.0079 0 - 553 H2O 185 H2O O1 2 -0.847600 15.9994 0 - 554 H2O 185 H2O H1 1 0.423800 1.0079 0 - 555 H2O 185 H2O H2 1 0.423800 1.0079 0 - 556 H2O 186 H2O O1 2 -0.847600 15.9994 0 - 557 H2O 186 H2O H1 1 0.423800 1.0079 0 - 558 H2O 186 H2O H2 1 0.423800 1.0079 0 - 559 H2O 187 H2O O1 2 -0.847600 15.9994 0 - 560 H2O 187 H2O H1 1 0.423800 1.0079 0 - 561 H2O 187 H2O H2 1 0.423800 1.0079 0 - 562 H2O 188 H2O O1 2 -0.847600 15.9994 0 - 563 H2O 188 H2O H1 1 0.423800 1.0079 0 - 564 H2O 188 H2O H2 1 0.423800 1.0079 0 - 565 H2O 189 H2O O1 2 -0.847600 15.9994 0 - 566 H2O 189 H2O H1 1 0.423800 1.0079 0 - 567 H2O 189 H2O H2 1 0.423800 1.0079 0 - 568 H2O 190 H2O O1 2 -0.847600 15.9994 0 - 569 H2O 190 H2O H1 1 0.423800 1.0079 0 - 570 H2O 190 H2O H2 1 0.423800 1.0079 0 - 571 H2O 191 H2O O1 2 -0.847600 15.9994 0 - 572 H2O 191 H2O H1 1 0.423800 1.0079 0 - 573 H2O 191 H2O H2 1 0.423800 1.0079 0 - 574 H2O 192 H2O O1 2 -0.847600 15.9994 0 - 575 H2O 192 H2O H1 1 0.423800 1.0079 0 - 576 H2O 192 H2O H2 1 0.423800 1.0079 0 - 577 H2O 193 H2O O1 2 -0.847600 15.9994 0 - 578 H2O 193 H2O H1 1 0.423800 1.0079 0 - 579 H2O 193 H2O H2 1 0.423800 1.0079 0 - 580 H2O 194 H2O O1 2 -0.847600 15.9994 0 - 581 H2O 194 H2O H1 1 0.423800 1.0079 0 - 582 H2O 194 H2O H2 1 0.423800 1.0079 0 - 583 H2O 195 H2O O1 2 -0.847600 15.9994 0 - 584 H2O 195 H2O H1 1 0.423800 1.0079 0 - 585 H2O 195 H2O H2 1 0.423800 1.0079 0 - 586 H2O 196 H2O O1 2 -0.847600 15.9994 0 - 587 H2O 196 H2O H1 1 0.423800 1.0079 0 - 588 H2O 196 H2O H2 1 0.423800 1.0079 0 - 589 H2O 197 H2O O1 2 -0.847600 15.9994 0 - 590 H2O 197 H2O H1 1 0.423800 1.0079 0 - 591 H2O 197 H2O H2 1 0.423800 1.0079 0 - 592 H2O 198 H2O O1 2 -0.847600 15.9994 0 - 593 H2O 198 H2O H1 1 0.423800 1.0079 0 - 594 H2O 198 H2O H2 1 0.423800 1.0079 0 - 595 H2O 199 H2O O1 2 -0.847600 15.9994 0 - 596 H2O 199 H2O H1 1 0.423800 1.0079 0 - 597 H2O 199 H2O H2 1 0.423800 1.0079 0 - 598 H2O 200 H2O O1 2 -0.847600 15.9994 0 - 599 H2O 200 H2O H1 1 0.423800 1.0079 0 - 600 H2O 200 H2O H2 1 0.423800 1.0079 0 - 601 H2O 201 H2O O1 2 -0.847600 15.9994 0 - 602 H2O 201 H2O H1 1 0.423800 1.0079 0 - 603 H2O 201 H2O H2 1 0.423800 1.0079 0 - 604 H2O 202 H2O O1 2 -0.847600 15.9994 0 - 605 H2O 202 H2O H1 1 0.423800 1.0079 0 - 606 H2O 202 H2O H2 1 0.423800 1.0079 0 - 607 H2O 203 H2O O1 2 -0.847600 15.9994 0 - 608 H2O 203 H2O H1 1 0.423800 1.0079 0 - 609 H2O 203 H2O H2 1 0.423800 1.0079 0 - 610 H2O 204 H2O O1 2 -0.847600 15.9994 0 - 611 H2O 204 H2O H1 1 0.423800 1.0079 0 - 612 H2O 204 H2O H2 1 0.423800 1.0079 0 - 613 H2O 205 H2O O1 2 -0.847600 15.9994 0 - 614 H2O 205 H2O H1 1 0.423800 1.0079 0 - 615 H2O 205 H2O H2 1 0.423800 1.0079 0 - 616 H2O 206 H2O O1 2 -0.847600 15.9994 0 - 617 H2O 206 H2O H1 1 0.423800 1.0079 0 - 618 H2O 206 H2O H2 1 0.423800 1.0079 0 - 619 H2O 207 H2O O1 2 -0.847600 15.9994 0 - 620 H2O 207 H2O H1 1 0.423800 1.0079 0 - 621 H2O 207 H2O H2 1 0.423800 1.0079 0 - 622 H2O 208 H2O O1 2 -0.847600 15.9994 0 - 623 H2O 208 H2O H1 1 0.423800 1.0079 0 - 624 H2O 208 H2O H2 1 0.423800 1.0079 0 - 625 H2O 209 H2O O1 2 -0.847600 15.9994 0 - 626 H2O 209 H2O H1 1 0.423800 1.0079 0 - 627 H2O 209 H2O H2 1 0.423800 1.0079 0 - 628 H2O 210 H2O O1 2 -0.847600 15.9994 0 - 629 H2O 210 H2O H1 1 0.423800 1.0079 0 - 630 H2O 210 H2O H2 1 0.423800 1.0079 0 - 631 H2O 211 H2O O1 2 -0.847600 15.9994 0 - 632 H2O 211 H2O H1 1 0.423800 1.0079 0 - 633 H2O 211 H2O H2 1 0.423800 1.0079 0 - 634 H2O 212 H2O O1 2 -0.847600 15.9994 0 - 635 H2O 212 H2O H1 1 0.423800 1.0079 0 - 636 H2O 212 H2O H2 1 0.423800 1.0079 0 - 637 H2O 213 H2O O1 2 -0.847600 15.9994 0 - 638 H2O 213 H2O H1 1 0.423800 1.0079 0 - 639 H2O 213 H2O H2 1 0.423800 1.0079 0 - 640 H2O 214 H2O O1 2 -0.847600 15.9994 0 - 641 H2O 214 H2O H1 1 0.423800 1.0079 0 - 642 H2O 214 H2O H2 1 0.423800 1.0079 0 - 643 H2O 215 H2O O1 2 -0.847600 15.9994 0 - 644 H2O 215 H2O H1 1 0.423800 1.0079 0 - 645 H2O 215 H2O H2 1 0.423800 1.0079 0 - 646 H2O 216 H2O O1 2 -0.847600 15.9994 0 - 647 H2O 216 H2O H1 1 0.423800 1.0079 0 - 648 H2O 216 H2O H2 1 0.423800 1.0079 0 - 649 H2O 217 H2O O1 2 -0.847600 15.9994 0 - 650 H2O 217 H2O H1 1 0.423800 1.0079 0 - 651 H2O 217 H2O H2 1 0.423800 1.0079 0 - 652 H2O 218 H2O O1 2 -0.847600 15.9994 0 - 653 H2O 218 H2O H1 1 0.423800 1.0079 0 - 654 H2O 218 H2O H2 1 0.423800 1.0079 0 - 655 H2O 219 H2O O1 2 -0.847600 15.9994 0 - 656 H2O 219 H2O H1 1 0.423800 1.0079 0 - 657 H2O 219 H2O H2 1 0.423800 1.0079 0 - 658 H2O 220 H2O O1 2 -0.847600 15.9994 0 - 659 H2O 220 H2O H1 1 0.423800 1.0079 0 - 660 H2O 220 H2O H2 1 0.423800 1.0079 0 - 661 H2O 221 H2O O1 2 -0.847600 15.9994 0 - 662 H2O 221 H2O H1 1 0.423800 1.0079 0 - 663 H2O 221 H2O H2 1 0.423800 1.0079 0 - 664 H2O 222 H2O O1 2 -0.847600 15.9994 0 - 665 H2O 222 H2O H1 1 0.423800 1.0079 0 - 666 H2O 222 H2O H2 1 0.423800 1.0079 0 - 667 H2O 223 H2O O1 2 -0.847600 15.9994 0 - 668 H2O 223 H2O H1 1 0.423800 1.0079 0 - 669 H2O 223 H2O H2 1 0.423800 1.0079 0 - 670 H2O 224 H2O O1 2 -0.847600 15.9994 0 - 671 H2O 224 H2O H1 1 0.423800 1.0079 0 - 672 H2O 224 H2O H2 1 0.423800 1.0079 0 - 673 H2O 225 H2O O1 2 -0.847600 15.9994 0 - 674 H2O 225 H2O H1 1 0.423800 1.0079 0 - 675 H2O 225 H2O H2 1 0.423800 1.0079 0 - 676 H2O 226 H2O O1 2 -0.847600 15.9994 0 - 677 H2O 226 H2O H1 1 0.423800 1.0079 0 - 678 H2O 226 H2O H2 1 0.423800 1.0079 0 - 679 H2O 227 H2O O1 2 -0.847600 15.9994 0 - 680 H2O 227 H2O H1 1 0.423800 1.0079 0 - 681 H2O 227 H2O H2 1 0.423800 1.0079 0 - 682 H2O 228 H2O O1 2 -0.847600 15.9994 0 - 683 H2O 228 H2O H1 1 0.423800 1.0079 0 - 684 H2O 228 H2O H2 1 0.423800 1.0079 0 - 685 H2O 229 H2O O1 2 -0.847600 15.9994 0 - 686 H2O 229 H2O H1 1 0.423800 1.0079 0 - 687 H2O 229 H2O H2 1 0.423800 1.0079 0 - 688 H2O 230 H2O O1 2 -0.847600 15.9994 0 - 689 H2O 230 H2O H1 1 0.423800 1.0079 0 - 690 H2O 230 H2O H2 1 0.423800 1.0079 0 - 691 H2O 231 H2O O1 2 -0.847600 15.9994 0 - 692 H2O 231 H2O H1 1 0.423800 1.0079 0 - 693 H2O 231 H2O H2 1 0.423800 1.0079 0 - 694 H2O 232 H2O O1 2 -0.847600 15.9994 0 - 695 H2O 232 H2O H1 1 0.423800 1.0079 0 - 696 H2O 232 H2O H2 1 0.423800 1.0079 0 - 697 H2O 233 H2O O1 2 -0.847600 15.9994 0 - 698 H2O 233 H2O H1 1 0.423800 1.0079 0 - 699 H2O 233 H2O H2 1 0.423800 1.0079 0 - 700 H2O 234 H2O O1 2 -0.847600 15.9994 0 - 701 H2O 234 H2O H1 1 0.423800 1.0079 0 - 702 H2O 234 H2O H2 1 0.423800 1.0079 0 - 703 H2O 235 H2O O1 2 -0.847600 15.9994 0 - 704 H2O 235 H2O H1 1 0.423800 1.0079 0 - 705 H2O 235 H2O H2 1 0.423800 1.0079 0 - 706 H2O 236 H2O O1 2 -0.847600 15.9994 0 - 707 H2O 236 H2O H1 1 0.423800 1.0079 0 - 708 H2O 236 H2O H2 1 0.423800 1.0079 0 - 709 H2O 237 H2O O1 2 -0.847600 15.9994 0 - 710 H2O 237 H2O H1 1 0.423800 1.0079 0 - 711 H2O 237 H2O H2 1 0.423800 1.0079 0 - 712 H2O 238 H2O O1 2 -0.847600 15.9994 0 - 713 H2O 238 H2O H1 1 0.423800 1.0079 0 - 714 H2O 238 H2O H2 1 0.423800 1.0079 0 - 715 H2O 239 H2O O1 2 -0.847600 15.9994 0 - 716 H2O 239 H2O H1 1 0.423800 1.0079 0 - 717 H2O 239 H2O H2 1 0.423800 1.0079 0 - 718 H2O 240 H2O O1 2 -0.847600 15.9994 0 - 719 H2O 240 H2O H1 1 0.423800 1.0079 0 - 720 H2O 240 H2O H2 1 0.423800 1.0079 0 - 721 H2O 241 H2O O1 2 -0.847600 15.9994 0 - 722 H2O 241 H2O H1 1 0.423800 1.0079 0 - 723 H2O 241 H2O H2 1 0.423800 1.0079 0 - 724 H2O 242 H2O O1 2 -0.847600 15.9994 0 - 725 H2O 242 H2O H1 1 0.423800 1.0079 0 - 726 H2O 242 H2O H2 1 0.423800 1.0079 0 - 727 H2O 243 H2O O1 2 -0.847600 15.9994 0 - 728 H2O 243 H2O H1 1 0.423800 1.0079 0 - 729 H2O 243 H2O H2 1 0.423800 1.0079 0 - 730 H2O 244 H2O O1 2 -0.847600 15.9994 0 - 731 H2O 244 H2O H1 1 0.423800 1.0079 0 - 732 H2O 244 H2O H2 1 0.423800 1.0079 0 - 733 H2O 245 H2O O1 2 -0.847600 15.9994 0 - 734 H2O 245 H2O H1 1 0.423800 1.0079 0 - 735 H2O 245 H2O H2 1 0.423800 1.0079 0 - 736 H2O 246 H2O O1 2 -0.847600 15.9994 0 - 737 H2O 246 H2O H1 1 0.423800 1.0079 0 - 738 H2O 246 H2O H2 1 0.423800 1.0079 0 - 739 H2O 247 H2O O1 2 -0.847600 15.9994 0 - 740 H2O 247 H2O H1 1 0.423800 1.0079 0 - 741 H2O 247 H2O H2 1 0.423800 1.0079 0 - 742 H2O 248 H2O O1 2 -0.847600 15.9994 0 - 743 H2O 248 H2O H1 1 0.423800 1.0079 0 - 744 H2O 248 H2O H2 1 0.423800 1.0079 0 - 745 H2O 249 H2O O1 2 -0.847600 15.9994 0 - 746 H2O 249 H2O H1 1 0.423800 1.0079 0 - 747 H2O 249 H2O H2 1 0.423800 1.0079 0 - 748 H2O 250 H2O O1 2 -0.847600 15.9994 0 - 749 H2O 250 H2O H1 1 0.423800 1.0079 0 - 750 H2O 250 H2O H2 1 0.423800 1.0079 0 - 751 H2O 251 H2O O1 2 -0.847600 15.9994 0 - 752 H2O 251 H2O H1 1 0.423800 1.0079 0 - 753 H2O 251 H2O H2 1 0.423800 1.0079 0 - 754 H2O 252 H2O O1 2 -0.847600 15.9994 0 - 755 H2O 252 H2O H1 1 0.423800 1.0079 0 - 756 H2O 252 H2O H2 1 0.423800 1.0079 0 - 757 H2O 253 H2O O1 2 -0.847600 15.9994 0 - 758 H2O 253 H2O H1 1 0.423800 1.0079 0 - 759 H2O 253 H2O H2 1 0.423800 1.0079 0 - 760 H2O 254 H2O O1 2 -0.847600 15.9994 0 - 761 H2O 254 H2O H1 1 0.423800 1.0079 0 - 762 H2O 254 H2O H2 1 0.423800 1.0079 0 - 763 H2O 255 H2O O1 2 -0.847600 15.9994 0 - 764 H2O 255 H2O H1 1 0.423800 1.0079 0 - 765 H2O 255 H2O H2 1 0.423800 1.0079 0 - 766 H2O 256 H2O O1 2 -0.847600 15.9994 0 - 767 H2O 256 H2O H1 1 0.423800 1.0079 0 - 768 H2O 256 H2O H2 1 0.423800 1.0079 0 - 769 H2O 257 H2O O1 2 -0.847600 15.9994 0 - 770 H2O 257 H2O H1 1 0.423800 1.0079 0 - 771 H2O 257 H2O H2 1 0.423800 1.0079 0 - 772 H2O 258 H2O O1 2 -0.847600 15.9994 0 - 773 H2O 258 H2O H1 1 0.423800 1.0079 0 - 774 H2O 258 H2O H2 1 0.423800 1.0079 0 - 775 H2O 259 H2O O1 2 -0.847600 15.9994 0 - 776 H2O 259 H2O H1 1 0.423800 1.0079 0 - 777 H2O 259 H2O H2 1 0.423800 1.0079 0 - 778 H2O 260 H2O O1 2 -0.847600 15.9994 0 - 779 H2O 260 H2O H1 1 0.423800 1.0079 0 - 780 H2O 260 H2O H2 1 0.423800 1.0079 0 - 781 H2O 261 H2O O1 2 -0.847600 15.9994 0 - 782 H2O 261 H2O H1 1 0.423800 1.0079 0 - 783 H2O 261 H2O H2 1 0.423800 1.0079 0 - 784 H2O 262 H2O O1 2 -0.847600 15.9994 0 - 785 H2O 262 H2O H1 1 0.423800 1.0079 0 - 786 H2O 262 H2O H2 1 0.423800 1.0079 0 - 787 H2O 263 H2O O1 2 -0.847600 15.9994 0 - 788 H2O 263 H2O H1 1 0.423800 1.0079 0 - 789 H2O 263 H2O H2 1 0.423800 1.0079 0 - 790 H2O 264 H2O O1 2 -0.847600 15.9994 0 - 791 H2O 264 H2O H1 1 0.423800 1.0079 0 - 792 H2O 264 H2O H2 1 0.423800 1.0079 0 - 793 H2O 265 H2O O1 2 -0.847600 15.9994 0 - 794 H2O 265 H2O H1 1 0.423800 1.0079 0 - 795 H2O 265 H2O H2 1 0.423800 1.0079 0 - 796 H2O 266 H2O O1 2 -0.847600 15.9994 0 - 797 H2O 266 H2O H1 1 0.423800 1.0079 0 - 798 H2O 266 H2O H2 1 0.423800 1.0079 0 - 799 H2O 267 H2O O1 2 -0.847600 15.9994 0 - 800 H2O 267 H2O H1 1 0.423800 1.0079 0 - 801 H2O 267 H2O H2 1 0.423800 1.0079 0 - 802 H2O 268 H2O O1 2 -0.847600 15.9994 0 - 803 H2O 268 H2O H1 1 0.423800 1.0079 0 - 804 H2O 268 H2O H2 1 0.423800 1.0079 0 - 805 H2O 269 H2O O1 2 -0.847600 15.9994 0 - 806 H2O 269 H2O H1 1 0.423800 1.0079 0 - 807 H2O 269 H2O H2 1 0.423800 1.0079 0 - 808 H2O 270 H2O O1 2 -0.847600 15.9994 0 - 809 H2O 270 H2O H1 1 0.423800 1.0079 0 - 810 H2O 270 H2O H2 1 0.423800 1.0079 0 - 811 H2O 271 H2O O1 2 -0.847600 15.9994 0 - 812 H2O 271 H2O H1 1 0.423800 1.0079 0 - 813 H2O 271 H2O H2 1 0.423800 1.0079 0 - 814 H2O 272 H2O O1 2 -0.847600 15.9994 0 - 815 H2O 272 H2O H1 1 0.423800 1.0079 0 - 816 H2O 272 H2O H2 1 0.423800 1.0079 0 - 817 H2O 273 H2O O1 2 -0.847600 15.9994 0 - 818 H2O 273 H2O H1 1 0.423800 1.0079 0 - 819 H2O 273 H2O H2 1 0.423800 1.0079 0 - 820 H2O 274 H2O O1 2 -0.847600 15.9994 0 - 821 H2O 274 H2O H1 1 0.423800 1.0079 0 - 822 H2O 274 H2O H2 1 0.423800 1.0079 0 - 823 H2O 275 H2O O1 2 -0.847600 15.9994 0 - 824 H2O 275 H2O H1 1 0.423800 1.0079 0 - 825 H2O 275 H2O H2 1 0.423800 1.0079 0 - 826 H2O 276 H2O O1 2 -0.847600 15.9994 0 - 827 H2O 276 H2O H1 1 0.423800 1.0079 0 - 828 H2O 276 H2O H2 1 0.423800 1.0079 0 - 829 H2O 277 H2O O1 2 -0.847600 15.9994 0 - 830 H2O 277 H2O H1 1 0.423800 1.0079 0 - 831 H2O 277 H2O H2 1 0.423800 1.0079 0 - 832 H2O 278 H2O O1 2 -0.847600 15.9994 0 - 833 H2O 278 H2O H1 1 0.423800 1.0079 0 - 834 H2O 278 H2O H2 1 0.423800 1.0079 0 - 835 H2O 279 H2O O1 2 -0.847600 15.9994 0 - 836 H2O 279 H2O H1 1 0.423800 1.0079 0 - 837 H2O 279 H2O H2 1 0.423800 1.0079 0 - 838 H2O 280 H2O O1 2 -0.847600 15.9994 0 - 839 H2O 280 H2O H1 1 0.423800 1.0079 0 - 840 H2O 280 H2O H2 1 0.423800 1.0079 0 - 841 H2O 281 H2O O1 2 -0.847600 15.9994 0 - 842 H2O 281 H2O H1 1 0.423800 1.0079 0 - 843 H2O 281 H2O H2 1 0.423800 1.0079 0 - 844 H2O 282 H2O O1 2 -0.847600 15.9994 0 - 845 H2O 282 H2O H1 1 0.423800 1.0079 0 - 846 H2O 282 H2O H2 1 0.423800 1.0079 0 - 847 H2O 283 H2O O1 2 -0.847600 15.9994 0 - 848 H2O 283 H2O H1 1 0.423800 1.0079 0 - 849 H2O 283 H2O H2 1 0.423800 1.0079 0 - 850 H2O 284 H2O O1 2 -0.847600 15.9994 0 - 851 H2O 284 H2O H1 1 0.423800 1.0079 0 - 852 H2O 284 H2O H2 1 0.423800 1.0079 0 - 853 H2O 285 H2O O1 2 -0.847600 15.9994 0 - 854 H2O 285 H2O H1 1 0.423800 1.0079 0 - 855 H2O 285 H2O H2 1 0.423800 1.0079 0 - 856 H2O 286 H2O O1 2 -0.847600 15.9994 0 - 857 H2O 286 H2O H1 1 0.423800 1.0079 0 - 858 H2O 286 H2O H2 1 0.423800 1.0079 0 - 859 H2O 287 H2O O1 2 -0.847600 15.9994 0 - 860 H2O 287 H2O H1 1 0.423800 1.0079 0 - 861 H2O 287 H2O H2 1 0.423800 1.0079 0 - 862 H2O 288 H2O O1 2 -0.847600 15.9994 0 - 863 H2O 288 H2O H1 1 0.423800 1.0079 0 - 864 H2O 288 H2O H2 1 0.423800 1.0079 0 - 865 H2O 289 H2O O1 2 -0.847600 15.9994 0 - 866 H2O 289 H2O H1 1 0.423800 1.0079 0 - 867 H2O 289 H2O H2 1 0.423800 1.0079 0 - 868 H2O 290 H2O O1 2 -0.847600 15.9994 0 - 869 H2O 290 H2O H1 1 0.423800 1.0079 0 - 870 H2O 290 H2O H2 1 0.423800 1.0079 0 - 871 H2O 291 H2O O1 2 -0.847600 15.9994 0 - 872 H2O 291 H2O H1 1 0.423800 1.0079 0 - 873 H2O 291 H2O H2 1 0.423800 1.0079 0 - 874 H2O 292 H2O O1 2 -0.847600 15.9994 0 - 875 H2O 292 H2O H1 1 0.423800 1.0079 0 - 876 H2O 292 H2O H2 1 0.423800 1.0079 0 - 877 H2O 293 H2O O1 2 -0.847600 15.9994 0 - 878 H2O 293 H2O H1 1 0.423800 1.0079 0 - 879 H2O 293 H2O H2 1 0.423800 1.0079 0 - 880 H2O 294 H2O O1 2 -0.847600 15.9994 0 - 881 H2O 294 H2O H1 1 0.423800 1.0079 0 - 882 H2O 294 H2O H2 1 0.423800 1.0079 0 - 883 H2O 295 H2O O1 2 -0.847600 15.9994 0 - 884 H2O 295 H2O H1 1 0.423800 1.0079 0 - 885 H2O 295 H2O H2 1 0.423800 1.0079 0 - 886 H2O 296 H2O O1 2 -0.847600 15.9994 0 - 887 H2O 296 H2O H1 1 0.423800 1.0079 0 - 888 H2O 296 H2O H2 1 0.423800 1.0079 0 - 889 H2O 297 H2O O1 2 -0.847600 15.9994 0 - 890 H2O 297 H2O H1 1 0.423800 1.0079 0 - 891 H2O 297 H2O H2 1 0.423800 1.0079 0 - 892 H2O 298 H2O O1 2 -0.847600 15.9994 0 - 893 H2O 298 H2O H1 1 0.423800 1.0079 0 - 894 H2O 298 H2O H2 1 0.423800 1.0079 0 - 895 H2O 299 H2O O1 2 -0.847600 15.9994 0 - 896 H2O 299 H2O H1 1 0.423800 1.0079 0 - 897 H2O 299 H2O H2 1 0.423800 1.0079 0 - 898 H2O 300 H2O O1 2 -0.847600 15.9994 0 - 899 H2O 300 H2O H1 1 0.423800 1.0079 0 - 900 H2O 300 H2O H2 1 0.423800 1.0079 0 - 901 H2O 301 H2O O1 2 -0.847600 15.9994 0 - 902 H2O 301 H2O H1 1 0.423800 1.0079 0 - 903 H2O 301 H2O H2 1 0.423800 1.0079 0 - 904 H2O 302 H2O O1 2 -0.847600 15.9994 0 - 905 H2O 302 H2O H1 1 0.423800 1.0079 0 - 906 H2O 302 H2O H2 1 0.423800 1.0079 0 - 907 H2O 303 H2O O1 2 -0.847600 15.9994 0 - 908 H2O 303 H2O H1 1 0.423800 1.0079 0 - 909 H2O 303 H2O H2 1 0.423800 1.0079 0 - 910 H2O 304 H2O O1 2 -0.847600 15.9994 0 - 911 H2O 304 H2O H1 1 0.423800 1.0079 0 - 912 H2O 304 H2O H2 1 0.423800 1.0079 0 - 913 H2O 305 H2O O1 2 -0.847600 15.9994 0 - 914 H2O 305 H2O H1 1 0.423800 1.0079 0 - 915 H2O 305 H2O H2 1 0.423800 1.0079 0 - 916 H2O 306 H2O O1 2 -0.847600 15.9994 0 - 917 H2O 306 H2O H1 1 0.423800 1.0079 0 - 918 H2O 306 H2O H2 1 0.423800 1.0079 0 - 919 H2O 307 H2O O1 2 -0.847600 15.9994 0 - 920 H2O 307 H2O H1 1 0.423800 1.0079 0 - 921 H2O 307 H2O H2 1 0.423800 1.0079 0 - 922 H2O 308 H2O O1 2 -0.847600 15.9994 0 - 923 H2O 308 H2O H1 1 0.423800 1.0079 0 - 924 H2O 308 H2O H2 1 0.423800 1.0079 0 - 925 H2O 309 H2O O1 2 -0.847600 15.9994 0 - 926 H2O 309 H2O H1 1 0.423800 1.0079 0 - 927 H2O 309 H2O H2 1 0.423800 1.0079 0 - 928 H2O 310 H2O O1 2 -0.847600 15.9994 0 - 929 H2O 310 H2O H1 1 0.423800 1.0079 0 - 930 H2O 310 H2O H2 1 0.423800 1.0079 0 - 931 H2O 311 H2O O1 2 -0.847600 15.9994 0 - 932 H2O 311 H2O H1 1 0.423800 1.0079 0 - 933 H2O 311 H2O H2 1 0.423800 1.0079 0 - 934 H2O 312 H2O O1 2 -0.847600 15.9994 0 - 935 H2O 312 H2O H1 1 0.423800 1.0079 0 - 936 H2O 312 H2O H2 1 0.423800 1.0079 0 - 937 H2O 313 H2O O1 2 -0.847600 15.9994 0 - 938 H2O 313 H2O H1 1 0.423800 1.0079 0 - 939 H2O 313 H2O H2 1 0.423800 1.0079 0 - 940 H2O 314 H2O O1 2 -0.847600 15.9994 0 - 941 H2O 314 H2O H1 1 0.423800 1.0079 0 - 942 H2O 314 H2O H2 1 0.423800 1.0079 0 - 943 H2O 315 H2O O1 2 -0.847600 15.9994 0 - 944 H2O 315 H2O H1 1 0.423800 1.0079 0 - 945 H2O 315 H2O H2 1 0.423800 1.0079 0 - 946 H2O 316 H2O O1 2 -0.847600 15.9994 0 - 947 H2O 316 H2O H1 1 0.423800 1.0079 0 - 948 H2O 316 H2O H2 1 0.423800 1.0079 0 - 949 H2O 317 H2O O1 2 -0.847600 15.9994 0 - 950 H2O 317 H2O H1 1 0.423800 1.0079 0 - 951 H2O 317 H2O H2 1 0.423800 1.0079 0 - 952 H2O 318 H2O O1 2 -0.847600 15.9994 0 - 953 H2O 318 H2O H1 1 0.423800 1.0079 0 - 954 H2O 318 H2O H2 1 0.423800 1.0079 0 - 955 H2O 319 H2O O1 2 -0.847600 15.9994 0 - 956 H2O 319 H2O H1 1 0.423800 1.0079 0 - 957 H2O 319 H2O H2 1 0.423800 1.0079 0 - 958 H2O 320 H2O O1 2 -0.847600 15.9994 0 - 959 H2O 320 H2O H1 1 0.423800 1.0079 0 - 960 H2O 320 H2O H2 1 0.423800 1.0079 0 - 961 H2O 321 H2O O1 2 -0.847600 15.9994 0 - 962 H2O 321 H2O H1 1 0.423800 1.0079 0 - 963 H2O 321 H2O H2 1 0.423800 1.0079 0 - 964 H2O 322 H2O O1 2 -0.847600 15.9994 0 - 965 H2O 322 H2O H1 1 0.423800 1.0079 0 - 966 H2O 322 H2O H2 1 0.423800 1.0079 0 - 967 H2O 323 H2O O1 2 -0.847600 15.9994 0 - 968 H2O 323 H2O H1 1 0.423800 1.0079 0 - 969 H2O 323 H2O H2 1 0.423800 1.0079 0 - 970 H2O 324 H2O O1 2 -0.847600 15.9994 0 - 971 H2O 324 H2O H1 1 0.423800 1.0079 0 - 972 H2O 324 H2O H2 1 0.423800 1.0079 0 - 973 H2O 325 H2O O1 2 -0.847600 15.9994 0 - 974 H2O 325 H2O H1 1 0.423800 1.0079 0 - 975 H2O 325 H2O H2 1 0.423800 1.0079 0 - 976 H2O 326 H2O O1 2 -0.847600 15.9994 0 - 977 H2O 326 H2O H1 1 0.423800 1.0079 0 - 978 H2O 326 H2O H2 1 0.423800 1.0079 0 - 979 H2O 327 H2O O1 2 -0.847600 15.9994 0 - 980 H2O 327 H2O H1 1 0.423800 1.0079 0 - 981 H2O 327 H2O H2 1 0.423800 1.0079 0 - 982 H2O 328 H2O O1 2 -0.847600 15.9994 0 - 983 H2O 328 H2O H1 1 0.423800 1.0079 0 - 984 H2O 328 H2O H2 1 0.423800 1.0079 0 - 985 H2O 329 H2O O1 2 -0.847600 15.9994 0 - 986 H2O 329 H2O H1 1 0.423800 1.0079 0 - 987 H2O 329 H2O H2 1 0.423800 1.0079 0 - 988 H2O 330 H2O O1 2 -0.847600 15.9994 0 - 989 H2O 330 H2O H1 1 0.423800 1.0079 0 - 990 H2O 330 H2O H2 1 0.423800 1.0079 0 - 991 H2O 331 H2O O1 2 -0.847600 15.9994 0 - 992 H2O 331 H2O H1 1 0.423800 1.0079 0 - 993 H2O 331 H2O H2 1 0.423800 1.0079 0 - 994 H2O 332 H2O O1 2 -0.847600 15.9994 0 - 995 H2O 332 H2O H1 1 0.423800 1.0079 0 - 996 H2O 332 H2O H2 1 0.423800 1.0079 0 - 997 H2O 333 H2O O1 2 -0.847600 15.9994 0 - 998 H2O 333 H2O H1 1 0.423800 1.0079 0 - 999 H2O 333 H2O H2 1 0.423800 1.0079 0 - 1000 H2O 334 H2O O1 2 -0.847600 15.9994 0 - 1001 H2O 334 H2O H1 1 0.423800 1.0079 0 - 1002 H2O 334 H2O H2 1 0.423800 1.0079 0 - 1003 H2O 335 H2O O1 2 -0.847600 15.9994 0 - 1004 H2O 335 H2O H1 1 0.423800 1.0079 0 - 1005 H2O 335 H2O H2 1 0.423800 1.0079 0 - 1006 H2O 336 H2O O1 2 -0.847600 15.9994 0 - 1007 H2O 336 H2O H1 1 0.423800 1.0079 0 - 1008 H2O 336 H2O H2 1 0.423800 1.0079 0 - 1009 H2O 337 H2O O1 2 -0.847600 15.9994 0 - 1010 H2O 337 H2O H1 1 0.423800 1.0079 0 - 1011 H2O 337 H2O H2 1 0.423800 1.0079 0 - 1012 H2O 338 H2O O1 2 -0.847600 15.9994 0 - 1013 H2O 338 H2O H1 1 0.423800 1.0079 0 - 1014 H2O 338 H2O H2 1 0.423800 1.0079 0 - 1015 H2O 339 H2O O1 2 -0.847600 15.9994 0 - 1016 H2O 339 H2O H1 1 0.423800 1.0079 0 - 1017 H2O 339 H2O H2 1 0.423800 1.0079 0 - 1018 H2O 340 H2O O1 2 -0.847600 15.9994 0 - 1019 H2O 340 H2O H1 1 0.423800 1.0079 0 - 1020 H2O 340 H2O H2 1 0.423800 1.0079 0 - 1021 H2O 341 H2O O1 2 -0.847600 15.9994 0 - 1022 H2O 341 H2O H1 1 0.423800 1.0079 0 - 1023 H2O 341 H2O H2 1 0.423800 1.0079 0 - 1024 H2O 342 H2O O1 2 -0.847600 15.9994 0 - 1025 H2O 342 H2O H1 1 0.423800 1.0079 0 - 1026 H2O 342 H2O H2 1 0.423800 1.0079 0 - 1027 H2O 343 H2O O1 2 -0.847600 15.9994 0 - 1028 H2O 343 H2O H1 1 0.423800 1.0079 0 - 1029 H2O 343 H2O H2 1 0.423800 1.0079 0 - 1030 H2O 344 H2O O1 2 -0.847600 15.9994 0 - 1031 H2O 344 H2O H1 1 0.423800 1.0079 0 - 1032 H2O 344 H2O H2 1 0.423800 1.0079 0 - 1033 H2O 345 H2O O1 2 -0.847600 15.9994 0 - 1034 H2O 345 H2O H1 1 0.423800 1.0079 0 - 1035 H2O 345 H2O H2 1 0.423800 1.0079 0 - 1036 H2O 346 H2O O1 2 -0.847600 15.9994 0 - 1037 H2O 346 H2O H1 1 0.423800 1.0079 0 - 1038 H2O 346 H2O H2 1 0.423800 1.0079 0 - 1039 H2O 347 H2O O1 2 -0.847600 15.9994 0 - 1040 H2O 347 H2O H1 1 0.423800 1.0079 0 - 1041 H2O 347 H2O H2 1 0.423800 1.0079 0 - 1042 H2O 348 H2O O1 2 -0.847600 15.9994 0 - 1043 H2O 348 H2O H1 1 0.423800 1.0079 0 - 1044 H2O 348 H2O H2 1 0.423800 1.0079 0 - 1045 H2O 349 H2O O1 2 -0.847600 15.9994 0 - 1046 H2O 349 H2O H1 1 0.423800 1.0079 0 - 1047 H2O 349 H2O H2 1 0.423800 1.0079 0 - 1048 H2O 350 H2O O1 2 -0.847600 15.9994 0 - 1049 H2O 350 H2O H1 1 0.423800 1.0079 0 - 1050 H2O 350 H2O H2 1 0.423800 1.0079 0 - 1051 H2O 351 H2O O1 2 -0.847600 15.9994 0 - 1052 H2O 351 H2O H1 1 0.423800 1.0079 0 - 1053 H2O 351 H2O H2 1 0.423800 1.0079 0 - 1054 H2O 352 H2O O1 2 -0.847600 15.9994 0 - 1055 H2O 352 H2O H1 1 0.423800 1.0079 0 - 1056 H2O 352 H2O H2 1 0.423800 1.0079 0 - 1057 H2O 353 H2O O1 2 -0.847600 15.9994 0 - 1058 H2O 353 H2O H1 1 0.423800 1.0079 0 - 1059 H2O 353 H2O H2 1 0.423800 1.0079 0 - 1060 H2O 354 H2O O1 2 -0.847600 15.9994 0 - 1061 H2O 354 H2O H1 1 0.423800 1.0079 0 - 1062 H2O 354 H2O H2 1 0.423800 1.0079 0 - 1063 H2O 355 H2O O1 2 -0.847600 15.9994 0 - 1064 H2O 355 H2O H1 1 0.423800 1.0079 0 - 1065 H2O 355 H2O H2 1 0.423800 1.0079 0 - 1066 H2O 356 H2O O1 2 -0.847600 15.9994 0 - 1067 H2O 356 H2O H1 1 0.423800 1.0079 0 - 1068 H2O 356 H2O H2 1 0.423800 1.0079 0 - 1069 H2O 357 H2O O1 2 -0.847600 15.9994 0 - 1070 H2O 357 H2O H1 1 0.423800 1.0079 0 - 1071 H2O 357 H2O H2 1 0.423800 1.0079 0 - 1072 H2O 358 H2O O1 2 -0.847600 15.9994 0 - 1073 H2O 358 H2O H1 1 0.423800 1.0079 0 - 1074 H2O 358 H2O H2 1 0.423800 1.0079 0 - 1075 H2O 359 H2O O1 2 -0.847600 15.9994 0 - 1076 H2O 359 H2O H1 1 0.423800 1.0079 0 - 1077 H2O 359 H2O H2 1 0.423800 1.0079 0 - 1078 H2O 360 H2O O1 2 -0.847600 15.9994 0 - 1079 H2O 360 H2O H1 1 0.423800 1.0079 0 - 1080 H2O 360 H2O H2 1 0.423800 1.0079 0 - 1081 H2O 361 H2O O1 2 -0.847600 15.9994 0 - 1082 H2O 361 H2O H1 1 0.423800 1.0079 0 - 1083 H2O 361 H2O H2 1 0.423800 1.0079 0 - 1084 H2O 362 H2O O1 2 -0.847600 15.9994 0 - 1085 H2O 362 H2O H1 1 0.423800 1.0079 0 - 1086 H2O 362 H2O H2 1 0.423800 1.0079 0 - 1087 H2O 363 H2O O1 2 -0.847600 15.9994 0 - 1088 H2O 363 H2O H1 1 0.423800 1.0079 0 - 1089 H2O 363 H2O H2 1 0.423800 1.0079 0 - 1090 H2O 364 H2O O1 2 -0.847600 15.9994 0 - 1091 H2O 364 H2O H1 1 0.423800 1.0079 0 - 1092 H2O 364 H2O H2 1 0.423800 1.0079 0 - 1093 H2O 365 H2O O1 2 -0.847600 15.9994 0 - 1094 H2O 365 H2O H1 1 0.423800 1.0079 0 - 1095 H2O 365 H2O H2 1 0.423800 1.0079 0 - 1096 H2O 366 H2O O1 2 -0.847600 15.9994 0 - 1097 H2O 366 H2O H1 1 0.423800 1.0079 0 - 1098 H2O 366 H2O H2 1 0.423800 1.0079 0 - 1099 H2O 367 H2O O1 2 -0.847600 15.9994 0 - 1100 H2O 367 H2O H1 1 0.423800 1.0079 0 - 1101 H2O 367 H2O H2 1 0.423800 1.0079 0 - 1102 H2O 368 H2O O1 2 -0.847600 15.9994 0 - 1103 H2O 368 H2O H1 1 0.423800 1.0079 0 - 1104 H2O 368 H2O H2 1 0.423800 1.0079 0 - 1105 H2O 369 H2O O1 2 -0.847600 15.9994 0 - 1106 H2O 369 H2O H1 1 0.423800 1.0079 0 - 1107 H2O 369 H2O H2 1 0.423800 1.0079 0 - 1108 H2O 370 H2O O1 2 -0.847600 15.9994 0 - 1109 H2O 370 H2O H1 1 0.423800 1.0079 0 - 1110 H2O 370 H2O H2 1 0.423800 1.0079 0 - 1111 H2O 371 H2O O1 2 -0.847600 15.9994 0 - 1112 H2O 371 H2O H1 1 0.423800 1.0079 0 - 1113 H2O 371 H2O H2 1 0.423800 1.0079 0 - 1114 H2O 372 H2O O1 2 -0.847600 15.9994 0 - 1115 H2O 372 H2O H1 1 0.423800 1.0079 0 - 1116 H2O 372 H2O H2 1 0.423800 1.0079 0 - 1117 H2O 373 H2O O1 2 -0.847600 15.9994 0 - 1118 H2O 373 H2O H1 1 0.423800 1.0079 0 - 1119 H2O 373 H2O H2 1 0.423800 1.0079 0 - 1120 H2O 374 H2O O1 2 -0.847600 15.9994 0 - 1121 H2O 374 H2O H1 1 0.423800 1.0079 0 - 1122 H2O 374 H2O H2 1 0.423800 1.0079 0 - 1123 H2O 375 H2O O1 2 -0.847600 15.9994 0 - 1124 H2O 375 H2O H1 1 0.423800 1.0079 0 - 1125 H2O 375 H2O H2 1 0.423800 1.0079 0 - 1126 H2O 376 H2O O1 2 -0.847600 15.9994 0 - 1127 H2O 376 H2O H1 1 0.423800 1.0079 0 - 1128 H2O 376 H2O H2 1 0.423800 1.0079 0 - 1129 H2O 377 H2O O1 2 -0.847600 15.9994 0 - 1130 H2O 377 H2O H1 1 0.423800 1.0079 0 - 1131 H2O 377 H2O H2 1 0.423800 1.0079 0 - 1132 H2O 378 H2O O1 2 -0.847600 15.9994 0 - 1133 H2O 378 H2O H1 1 0.423800 1.0079 0 - 1134 H2O 378 H2O H2 1 0.423800 1.0079 0 - 1135 H2O 379 H2O O1 2 -0.847600 15.9994 0 - 1136 H2O 379 H2O H1 1 0.423800 1.0079 0 - 1137 H2O 379 H2O H2 1 0.423800 1.0079 0 - 1138 H2O 380 H2O O1 2 -0.847600 15.9994 0 - 1139 H2O 380 H2O H1 1 0.423800 1.0079 0 - 1140 H2O 380 H2O H2 1 0.423800 1.0079 0 - 1141 H2O 381 H2O O1 2 -0.847600 15.9994 0 - 1142 H2O 381 H2O H1 1 0.423800 1.0079 0 - 1143 H2O 381 H2O H2 1 0.423800 1.0079 0 - 1144 H2O 382 H2O O1 2 -0.847600 15.9994 0 - 1145 H2O 382 H2O H1 1 0.423800 1.0079 0 - 1146 H2O 382 H2O H2 1 0.423800 1.0079 0 - 1147 H2O 383 H2O O1 2 -0.847600 15.9994 0 - 1148 H2O 383 H2O H1 1 0.423800 1.0079 0 - 1149 H2O 383 H2O H2 1 0.423800 1.0079 0 - 1150 H2O 384 H2O O1 2 -0.847600 15.9994 0 - 1151 H2O 384 H2O H1 1 0.423800 1.0079 0 - 1152 H2O 384 H2O H2 1 0.423800 1.0079 0 - 1153 H2O 385 H2O O1 2 -0.847600 15.9994 0 - 1154 H2O 385 H2O H1 1 0.423800 1.0079 0 - 1155 H2O 385 H2O H2 1 0.423800 1.0079 0 - 1156 H2O 386 H2O O1 2 -0.847600 15.9994 0 - 1157 H2O 386 H2O H1 1 0.423800 1.0079 0 - 1158 H2O 386 H2O H2 1 0.423800 1.0079 0 - 1159 H2O 387 H2O O1 2 -0.847600 15.9994 0 - 1160 H2O 387 H2O H1 1 0.423800 1.0079 0 - 1161 H2O 387 H2O H2 1 0.423800 1.0079 0 - 1162 H2O 388 H2O O1 2 -0.847600 15.9994 0 - 1163 H2O 388 H2O H1 1 0.423800 1.0079 0 - 1164 H2O 388 H2O H2 1 0.423800 1.0079 0 - 1165 H2O 389 H2O O1 2 -0.847600 15.9994 0 - 1166 H2O 389 H2O H1 1 0.423800 1.0079 0 - 1167 H2O 389 H2O H2 1 0.423800 1.0079 0 - 1168 H2O 390 H2O O1 2 -0.847600 15.9994 0 - 1169 H2O 390 H2O H1 1 0.423800 1.0079 0 - 1170 H2O 390 H2O H2 1 0.423800 1.0079 0 - 1171 H2O 391 H2O O1 2 -0.847600 15.9994 0 - 1172 H2O 391 H2O H1 1 0.423800 1.0079 0 - 1173 H2O 391 H2O H2 1 0.423800 1.0079 0 - 1174 H2O 392 H2O O1 2 -0.847600 15.9994 0 - 1175 H2O 392 H2O H1 1 0.423800 1.0079 0 - 1176 H2O 392 H2O H2 1 0.423800 1.0079 0 - 1177 H2O 393 H2O O1 2 -0.847600 15.9994 0 - 1178 H2O 393 H2O H1 1 0.423800 1.0079 0 - 1179 H2O 393 H2O H2 1 0.423800 1.0079 0 - 1180 H2O 394 H2O O1 2 -0.847600 15.9994 0 - 1181 H2O 394 H2O H1 1 0.423800 1.0079 0 - 1182 H2O 394 H2O H2 1 0.423800 1.0079 0 - 1183 H2O 395 H2O O1 2 -0.847600 15.9994 0 - 1184 H2O 395 H2O H1 1 0.423800 1.0079 0 - 1185 H2O 395 H2O H2 1 0.423800 1.0079 0 - 1186 H2O 396 H2O O1 2 -0.847600 15.9994 0 - 1187 H2O 396 H2O H1 1 0.423800 1.0079 0 - 1188 H2O 396 H2O H2 1 0.423800 1.0079 0 - 1189 H2O 397 H2O O1 2 -0.847600 15.9994 0 - 1190 H2O 397 H2O H1 1 0.423800 1.0079 0 - 1191 H2O 397 H2O H2 1 0.423800 1.0079 0 - 1192 H2O 398 H2O O1 2 -0.847600 15.9994 0 - 1193 H2O 398 H2O H1 1 0.423800 1.0079 0 - 1194 H2O 398 H2O H2 1 0.423800 1.0079 0 - 1195 H2O 399 H2O O1 2 -0.847600 15.9994 0 - 1196 H2O 399 H2O H1 1 0.423800 1.0079 0 - 1197 H2O 399 H2O H2 1 0.423800 1.0079 0 - 1198 H2O 400 H2O O1 2 -0.847600 15.9994 0 - 1199 H2O 400 H2O H1 1 0.423800 1.0079 0 - 1200 H2O 400 H2O H2 1 0.423800 1.0079 0 - 1201 H2O 401 H2O O1 2 -0.847600 15.9994 0 - 1202 H2O 401 H2O H1 1 0.423800 1.0079 0 - 1203 H2O 401 H2O H2 1 0.423800 1.0079 0 - 1204 H2O 402 H2O O1 2 -0.847600 15.9994 0 - 1205 H2O 402 H2O H1 1 0.423800 1.0079 0 - 1206 H2O 402 H2O H2 1 0.423800 1.0079 0 - 1207 H2O 403 H2O O1 2 -0.847600 15.9994 0 - 1208 H2O 403 H2O H1 1 0.423800 1.0079 0 - 1209 H2O 403 H2O H2 1 0.423800 1.0079 0 - 1210 H2O 404 H2O O1 2 -0.847600 15.9994 0 - 1211 H2O 404 H2O H1 1 0.423800 1.0079 0 - 1212 H2O 404 H2O H2 1 0.423800 1.0079 0 - 1213 H2O 405 H2O O1 2 -0.847600 15.9994 0 - 1214 H2O 405 H2O H1 1 0.423800 1.0079 0 - 1215 H2O 405 H2O H2 1 0.423800 1.0079 0 - 1216 H2O 406 H2O O1 2 -0.847600 15.9994 0 - 1217 H2O 406 H2O H1 1 0.423800 1.0079 0 - 1218 H2O 406 H2O H2 1 0.423800 1.0079 0 - 1219 H2O 407 H2O O1 2 -0.847600 15.9994 0 - 1220 H2O 407 H2O H1 1 0.423800 1.0079 0 - 1221 H2O 407 H2O H2 1 0.423800 1.0079 0 - 1222 H2O 408 H2O O1 2 -0.847600 15.9994 0 - 1223 H2O 408 H2O H1 1 0.423800 1.0079 0 - 1224 H2O 408 H2O H2 1 0.423800 1.0079 0 - 1225 H2O 409 H2O O1 2 -0.847600 15.9994 0 - 1226 H2O 409 H2O H1 1 0.423800 1.0079 0 - 1227 H2O 409 H2O H2 1 0.423800 1.0079 0 - 1228 H2O 410 H2O O1 2 -0.847600 15.9994 0 - 1229 H2O 410 H2O H1 1 0.423800 1.0079 0 - 1230 H2O 410 H2O H2 1 0.423800 1.0079 0 - 1231 H2O 411 H2O O1 2 -0.847600 15.9994 0 - 1232 H2O 411 H2O H1 1 0.423800 1.0079 0 - 1233 H2O 411 H2O H2 1 0.423800 1.0079 0 - 1234 H2O 412 H2O O1 2 -0.847600 15.9994 0 - 1235 H2O 412 H2O H1 1 0.423800 1.0079 0 - 1236 H2O 412 H2O H2 1 0.423800 1.0079 0 - 1237 H2O 413 H2O O1 2 -0.847600 15.9994 0 - 1238 H2O 413 H2O H1 1 0.423800 1.0079 0 - 1239 H2O 413 H2O H2 1 0.423800 1.0079 0 - 1240 H2O 414 H2O O1 2 -0.847600 15.9994 0 - 1241 H2O 414 H2O H1 1 0.423800 1.0079 0 - 1242 H2O 414 H2O H2 1 0.423800 1.0079 0 - 1243 H2O 415 H2O O1 2 -0.847600 15.9994 0 - 1244 H2O 415 H2O H1 1 0.423800 1.0079 0 - 1245 H2O 415 H2O H2 1 0.423800 1.0079 0 - 1246 H2O 416 H2O O1 2 -0.847600 15.9994 0 - 1247 H2O 416 H2O H1 1 0.423800 1.0079 0 - 1248 H2O 416 H2O H2 1 0.423800 1.0079 0 - 1249 H2O 417 H2O O1 2 -0.847600 15.9994 0 - 1250 H2O 417 H2O H1 1 0.423800 1.0079 0 - 1251 H2O 417 H2O H2 1 0.423800 1.0079 0 - 1252 H2O 418 H2O O1 2 -0.847600 15.9994 0 - 1253 H2O 418 H2O H1 1 0.423800 1.0079 0 - 1254 H2O 418 H2O H2 1 0.423800 1.0079 0 - 1255 H2O 419 H2O O1 2 -0.847600 15.9994 0 - 1256 H2O 419 H2O H1 1 0.423800 1.0079 0 - 1257 H2O 419 H2O H2 1 0.423800 1.0079 0 - 1258 H2O 420 H2O O1 2 -0.847600 15.9994 0 - 1259 H2O 420 H2O H1 1 0.423800 1.0079 0 - 1260 H2O 420 H2O H2 1 0.423800 1.0079 0 - 1261 H2O 421 H2O O1 2 -0.847600 15.9994 0 - 1262 H2O 421 H2O H1 1 0.423800 1.0079 0 - 1263 H2O 421 H2O H2 1 0.423800 1.0079 0 - 1264 H2O 422 H2O O1 2 -0.847600 15.9994 0 - 1265 H2O 422 H2O H1 1 0.423800 1.0079 0 - 1266 H2O 422 H2O H2 1 0.423800 1.0079 0 - 1267 H2O 423 H2O O1 2 -0.847600 15.9994 0 - 1268 H2O 423 H2O H1 1 0.423800 1.0079 0 - 1269 H2O 423 H2O H2 1 0.423800 1.0079 0 - 1270 H2O 424 H2O O1 2 -0.847600 15.9994 0 - 1271 H2O 424 H2O H1 1 0.423800 1.0079 0 - 1272 H2O 424 H2O H2 1 0.423800 1.0079 0 - 1273 H2O 425 H2O O1 2 -0.847600 15.9994 0 - 1274 H2O 425 H2O H1 1 0.423800 1.0079 0 - 1275 H2O 425 H2O H2 1 0.423800 1.0079 0 - 1276 H2O 426 H2O O1 2 -0.847600 15.9994 0 - 1277 H2O 426 H2O H1 1 0.423800 1.0079 0 - 1278 H2O 426 H2O H2 1 0.423800 1.0079 0 - 1279 H2O 427 H2O O1 2 -0.847600 15.9994 0 - 1280 H2O 427 H2O H1 1 0.423800 1.0079 0 - 1281 H2O 427 H2O H2 1 0.423800 1.0079 0 - 1282 H2O 428 H2O O1 2 -0.847600 15.9994 0 - 1283 H2O 428 H2O H1 1 0.423800 1.0079 0 - 1284 H2O 428 H2O H2 1 0.423800 1.0079 0 - 1285 H2O 429 H2O O1 2 -0.847600 15.9994 0 - 1286 H2O 429 H2O H1 1 0.423800 1.0079 0 - 1287 H2O 429 H2O H2 1 0.423800 1.0079 0 - 1288 H2O 430 H2O O1 2 -0.847600 15.9994 0 - 1289 H2O 430 H2O H1 1 0.423800 1.0079 0 - 1290 H2O 430 H2O H2 1 0.423800 1.0079 0 - 1291 H2O 431 H2O O1 2 -0.847600 15.9994 0 - 1292 H2O 431 H2O H1 1 0.423800 1.0079 0 - 1293 H2O 431 H2O H2 1 0.423800 1.0079 0 - 1294 H2O 432 H2O O1 2 -0.847600 15.9994 0 - 1295 H2O 432 H2O H1 1 0.423800 1.0079 0 - 1296 H2O 432 H2O H2 1 0.423800 1.0079 0 - 1297 H2O 433 H2O O1 2 -0.847600 15.9994 0 - 1298 H2O 433 H2O H1 1 0.423800 1.0079 0 - 1299 H2O 433 H2O H2 1 0.423800 1.0079 0 - 1300 H2O 434 H2O O1 2 -0.847600 15.9994 0 - 1301 H2O 434 H2O H1 1 0.423800 1.0079 0 - 1302 H2O 434 H2O H2 1 0.423800 1.0079 0 - 1303 H2O 435 H2O O1 2 -0.847600 15.9994 0 - 1304 H2O 435 H2O H1 1 0.423800 1.0079 0 - 1305 H2O 435 H2O H2 1 0.423800 1.0079 0 - 1306 H2O 436 H2O O1 2 -0.847600 15.9994 0 - 1307 H2O 436 H2O H1 1 0.423800 1.0079 0 - 1308 H2O 436 H2O H2 1 0.423800 1.0079 0 - 1309 H2O 437 H2O O1 2 -0.847600 15.9994 0 - 1310 H2O 437 H2O H1 1 0.423800 1.0079 0 - 1311 H2O 437 H2O H2 1 0.423800 1.0079 0 - 1312 H2O 438 H2O O1 2 -0.847600 15.9994 0 - 1313 H2O 438 H2O H1 1 0.423800 1.0079 0 - 1314 H2O 438 H2O H2 1 0.423800 1.0079 0 - 1315 H2O 439 H2O O1 2 -0.847600 15.9994 0 - 1316 H2O 439 H2O H1 1 0.423800 1.0079 0 - 1317 H2O 439 H2O H2 1 0.423800 1.0079 0 - 1318 H2O 440 H2O O1 2 -0.847600 15.9994 0 - 1319 H2O 440 H2O H1 1 0.423800 1.0079 0 - 1320 H2O 440 H2O H2 1 0.423800 1.0079 0 - 1321 H2O 441 H2O O1 2 -0.847600 15.9994 0 - 1322 H2O 441 H2O H1 1 0.423800 1.0079 0 - 1323 H2O 441 H2O H2 1 0.423800 1.0079 0 - 1324 H2O 442 H2O O1 2 -0.847600 15.9994 0 - 1325 H2O 442 H2O H1 1 0.423800 1.0079 0 - 1326 H2O 442 H2O H2 1 0.423800 1.0079 0 - 1327 H2O 443 H2O O1 2 -0.847600 15.9994 0 - 1328 H2O 443 H2O H1 1 0.423800 1.0079 0 - 1329 H2O 443 H2O H2 1 0.423800 1.0079 0 - 1330 H2O 444 H2O O1 2 -0.847600 15.9994 0 - 1331 H2O 444 H2O H1 1 0.423800 1.0079 0 - 1332 H2O 444 H2O H2 1 0.423800 1.0079 0 - 1333 H2O 445 H2O O1 2 -0.847600 15.9994 0 - 1334 H2O 445 H2O H1 1 0.423800 1.0079 0 - 1335 H2O 445 H2O H2 1 0.423800 1.0079 0 - 1336 H2O 446 H2O O1 2 -0.847600 15.9994 0 - 1337 H2O 446 H2O H1 1 0.423800 1.0079 0 - 1338 H2O 446 H2O H2 1 0.423800 1.0079 0 - 1339 H2O 447 H2O O1 2 -0.847600 15.9994 0 - 1340 H2O 447 H2O H1 1 0.423800 1.0079 0 - 1341 H2O 447 H2O H2 1 0.423800 1.0079 0 - 1342 H2O 448 H2O O1 2 -0.847600 15.9994 0 - 1343 H2O 448 H2O H1 1 0.423800 1.0079 0 - 1344 H2O 448 H2O H2 1 0.423800 1.0079 0 - 1345 H2O 449 H2O O1 2 -0.847600 15.9994 0 - 1346 H2O 449 H2O H1 1 0.423800 1.0079 0 - 1347 H2O 449 H2O H2 1 0.423800 1.0079 0 - 1348 H2O 450 H2O O1 2 -0.847600 15.9994 0 - 1349 H2O 450 H2O H1 1 0.423800 1.0079 0 - 1350 H2O 450 H2O H2 1 0.423800 1.0079 0 - 1351 H2O 451 H2O O1 2 -0.847600 15.9994 0 - 1352 H2O 451 H2O H1 1 0.423800 1.0079 0 - 1353 H2O 451 H2O H2 1 0.423800 1.0079 0 - 1354 H2O 452 H2O O1 2 -0.847600 15.9994 0 - 1355 H2O 452 H2O H1 1 0.423800 1.0079 0 - 1356 H2O 452 H2O H2 1 0.423800 1.0079 0 - 1357 H2O 453 H2O O1 2 -0.847600 15.9994 0 - 1358 H2O 453 H2O H1 1 0.423800 1.0079 0 - 1359 H2O 453 H2O H2 1 0.423800 1.0079 0 - 1360 H2O 454 H2O O1 2 -0.847600 15.9994 0 - 1361 H2O 454 H2O H1 1 0.423800 1.0079 0 - 1362 H2O 454 H2O H2 1 0.423800 1.0079 0 - 1363 H2O 455 H2O O1 2 -0.847600 15.9994 0 - 1364 H2O 455 H2O H1 1 0.423800 1.0079 0 - 1365 H2O 455 H2O H2 1 0.423800 1.0079 0 - 1366 H2O 456 H2O O1 2 -0.847600 15.9994 0 - 1367 H2O 456 H2O H1 1 0.423800 1.0079 0 - 1368 H2O 456 H2O H2 1 0.423800 1.0079 0 - 1369 H2O 457 H2O O1 2 -0.847600 15.9994 0 - 1370 H2O 457 H2O H1 1 0.423800 1.0079 0 - 1371 H2O 457 H2O H2 1 0.423800 1.0079 0 - 1372 H2O 458 H2O O1 2 -0.847600 15.9994 0 - 1373 H2O 458 H2O H1 1 0.423800 1.0079 0 - 1374 H2O 458 H2O H2 1 0.423800 1.0079 0 - 1375 H2O 459 H2O O1 2 -0.847600 15.9994 0 - 1376 H2O 459 H2O H1 1 0.423800 1.0079 0 - 1377 H2O 459 H2O H2 1 0.423800 1.0079 0 - 1378 H2O 460 H2O O1 2 -0.847600 15.9994 0 - 1379 H2O 460 H2O H1 1 0.423800 1.0079 0 - 1380 H2O 460 H2O H2 1 0.423800 1.0079 0 - 1381 H2O 461 H2O O1 2 -0.847600 15.9994 0 - 1382 H2O 461 H2O H1 1 0.423800 1.0079 0 - 1383 H2O 461 H2O H2 1 0.423800 1.0079 0 - 1384 H2O 462 H2O O1 2 -0.847600 15.9994 0 - 1385 H2O 462 H2O H1 1 0.423800 1.0079 0 - 1386 H2O 462 H2O H2 1 0.423800 1.0079 0 - 1387 H2O 463 H2O O1 2 -0.847600 15.9994 0 - 1388 H2O 463 H2O H1 1 0.423800 1.0079 0 - 1389 H2O 463 H2O H2 1 0.423800 1.0079 0 - 1390 H2O 464 H2O O1 2 -0.847600 15.9994 0 - 1391 H2O 464 H2O H1 1 0.423800 1.0079 0 - 1392 H2O 464 H2O H2 1 0.423800 1.0079 0 - 1393 H2O 465 H2O O1 2 -0.847600 15.9994 0 - 1394 H2O 465 H2O H1 1 0.423800 1.0079 0 - 1395 H2O 465 H2O H2 1 0.423800 1.0079 0 - 1396 H2O 466 H2O O1 2 -0.847600 15.9994 0 - 1397 H2O 466 H2O H1 1 0.423800 1.0079 0 - 1398 H2O 466 H2O H2 1 0.423800 1.0079 0 - 1399 H2O 467 H2O O1 2 -0.847600 15.9994 0 - 1400 H2O 467 H2O H1 1 0.423800 1.0079 0 - 1401 H2O 467 H2O H2 1 0.423800 1.0079 0 - 1402 H2O 468 H2O O1 2 -0.847600 15.9994 0 - 1403 H2O 468 H2O H1 1 0.423800 1.0079 0 - 1404 H2O 468 H2O H2 1 0.423800 1.0079 0 - 1405 H2O 469 H2O O1 2 -0.847600 15.9994 0 - 1406 H2O 469 H2O H1 1 0.423800 1.0079 0 - 1407 H2O 469 H2O H2 1 0.423800 1.0079 0 - 1408 H2O 470 H2O O1 2 -0.847600 15.9994 0 - 1409 H2O 470 H2O H1 1 0.423800 1.0079 0 - 1410 H2O 470 H2O H2 1 0.423800 1.0079 0 - 1411 H2O 471 H2O O1 2 -0.847600 15.9994 0 - 1412 H2O 471 H2O H1 1 0.423800 1.0079 0 - 1413 H2O 471 H2O H2 1 0.423800 1.0079 0 - 1414 H2O 472 H2O O1 2 -0.847600 15.9994 0 - 1415 H2O 472 H2O H1 1 0.423800 1.0079 0 - 1416 H2O 472 H2O H2 1 0.423800 1.0079 0 - 1417 H2O 473 H2O O1 2 -0.847600 15.9994 0 - 1418 H2O 473 H2O H1 1 0.423800 1.0079 0 - 1419 H2O 473 H2O H2 1 0.423800 1.0079 0 - 1420 H2O 474 H2O O1 2 -0.847600 15.9994 0 - 1421 H2O 474 H2O H1 1 0.423800 1.0079 0 - 1422 H2O 474 H2O H2 1 0.423800 1.0079 0 - 1423 H2O 475 H2O O1 2 -0.847600 15.9994 0 - 1424 H2O 475 H2O H1 1 0.423800 1.0079 0 - 1425 H2O 475 H2O H2 1 0.423800 1.0079 0 - 1426 H2O 476 H2O O1 2 -0.847600 15.9994 0 - 1427 H2O 476 H2O H1 1 0.423800 1.0079 0 - 1428 H2O 476 H2O H2 1 0.423800 1.0079 0 - 1429 H2O 477 H2O O1 2 -0.847600 15.9994 0 - 1430 H2O 477 H2O H1 1 0.423800 1.0079 0 - 1431 H2O 477 H2O H2 1 0.423800 1.0079 0 - 1432 H2O 478 H2O O1 2 -0.847600 15.9994 0 - 1433 H2O 478 H2O H1 1 0.423800 1.0079 0 - 1434 H2O 478 H2O H2 1 0.423800 1.0079 0 - 1435 H2O 479 H2O O1 2 -0.847600 15.9994 0 - 1436 H2O 479 H2O H1 1 0.423800 1.0079 0 - 1437 H2O 479 H2O H2 1 0.423800 1.0079 0 - 1438 H2O 480 H2O O1 2 -0.847600 15.9994 0 - 1439 H2O 480 H2O H1 1 0.423800 1.0079 0 - 1440 H2O 480 H2O H2 1 0.423800 1.0079 0 - 1441 H2O 481 H2O O1 2 -0.847600 15.9994 0 - 1442 H2O 481 H2O H1 1 0.423800 1.0079 0 - 1443 H2O 481 H2O H2 1 0.423800 1.0079 0 - 1444 H2O 482 H2O O1 2 -0.847600 15.9994 0 - 1445 H2O 482 H2O H1 1 0.423800 1.0079 0 - 1446 H2O 482 H2O H2 1 0.423800 1.0079 0 - 1447 H2O 483 H2O O1 2 -0.847600 15.9994 0 - 1448 H2O 483 H2O H1 1 0.423800 1.0079 0 - 1449 H2O 483 H2O H2 1 0.423800 1.0079 0 - 1450 H2O 484 H2O O1 2 -0.847600 15.9994 0 - 1451 H2O 484 H2O H1 1 0.423800 1.0079 0 - 1452 H2O 484 H2O H2 1 0.423800 1.0079 0 - 1453 H2O 485 H2O O1 2 -0.847600 15.9994 0 - 1454 H2O 485 H2O H1 1 0.423800 1.0079 0 - 1455 H2O 485 H2O H2 1 0.423800 1.0079 0 - 1456 H2O 486 H2O O1 2 -0.847600 15.9994 0 - 1457 H2O 486 H2O H1 1 0.423800 1.0079 0 - 1458 H2O 486 H2O H2 1 0.423800 1.0079 0 - 1459 H2O 487 H2O O1 2 -0.847600 15.9994 0 - 1460 H2O 487 H2O H1 1 0.423800 1.0079 0 - 1461 H2O 487 H2O H2 1 0.423800 1.0079 0 - 1462 H2O 488 H2O O1 2 -0.847600 15.9994 0 - 1463 H2O 488 H2O H1 1 0.423800 1.0079 0 - 1464 H2O 488 H2O H2 1 0.423800 1.0079 0 - 1465 H2O 489 H2O O1 2 -0.847600 15.9994 0 - 1466 H2O 489 H2O H1 1 0.423800 1.0079 0 - 1467 H2O 489 H2O H2 1 0.423800 1.0079 0 - 1468 H2O 490 H2O O1 2 -0.847600 15.9994 0 - 1469 H2O 490 H2O H1 1 0.423800 1.0079 0 - 1470 H2O 490 H2O H2 1 0.423800 1.0079 0 - 1471 H2O 491 H2O O1 2 -0.847600 15.9994 0 - 1472 H2O 491 H2O H1 1 0.423800 1.0079 0 - 1473 H2O 491 H2O H2 1 0.423800 1.0079 0 - 1474 H2O 492 H2O O1 2 -0.847600 15.9994 0 - 1475 H2O 492 H2O H1 1 0.423800 1.0079 0 - 1476 H2O 492 H2O H2 1 0.423800 1.0079 0 - 1477 H2O 493 H2O O1 2 -0.847600 15.9994 0 - 1478 H2O 493 H2O H1 1 0.423800 1.0079 0 - 1479 H2O 493 H2O H2 1 0.423800 1.0079 0 - 1480 H2O 494 H2O O1 2 -0.847600 15.9994 0 - 1481 H2O 494 H2O H1 1 0.423800 1.0079 0 - 1482 H2O 494 H2O H2 1 0.423800 1.0079 0 - 1483 H2O 495 H2O O1 2 -0.847600 15.9994 0 - 1484 H2O 495 H2O H1 1 0.423800 1.0079 0 - 1485 H2O 495 H2O H2 1 0.423800 1.0079 0 - 1486 H2O 496 H2O O1 2 -0.847600 15.9994 0 - 1487 H2O 496 H2O H1 1 0.423800 1.0079 0 - 1488 H2O 496 H2O H2 1 0.423800 1.0079 0 - 1489 H2O 497 H2O O1 2 -0.847600 15.9994 0 - 1490 H2O 497 H2O H1 1 0.423800 1.0079 0 - 1491 H2O 497 H2O H2 1 0.423800 1.0079 0 - 1492 H2O 498 H2O O1 2 -0.847600 15.9994 0 - 1493 H2O 498 H2O H1 1 0.423800 1.0079 0 - 1494 H2O 498 H2O H2 1 0.423800 1.0079 0 - 1495 H2O 499 H2O O1 2 -0.847600 15.9994 0 - 1496 H2O 499 H2O H1 1 0.423800 1.0079 0 - 1497 H2O 499 H2O H2 1 0.423800 1.0079 0 - 1498 H2O 500 H2O O1 2 -0.847600 15.9994 0 - 1499 H2O 500 H2O H1 1 0.423800 1.0079 0 - 1500 H2O 500 H2O H2 1 0.423800 1.0079 0 - 1501 H2O 501 H2O O1 2 -0.847600 15.9994 0 - 1502 H2O 501 H2O H1 1 0.423800 1.0079 0 - 1503 H2O 501 H2O H2 1 0.423800 1.0079 0 - 1504 H2O 502 H2O O1 2 -0.847600 15.9994 0 - 1505 H2O 502 H2O H1 1 0.423800 1.0079 0 - 1506 H2O 502 H2O H2 1 0.423800 1.0079 0 - 1507 H2O 503 H2O O1 2 -0.847600 15.9994 0 - 1508 H2O 503 H2O H1 1 0.423800 1.0079 0 - 1509 H2O 503 H2O H2 1 0.423800 1.0079 0 - 1510 H2O 504 H2O O1 2 -0.847600 15.9994 0 - 1511 H2O 504 H2O H1 1 0.423800 1.0079 0 - 1512 H2O 504 H2O H2 1 0.423800 1.0079 0 - 1513 H2O 505 H2O O1 2 -0.847600 15.9994 0 - 1514 H2O 505 H2O H1 1 0.423800 1.0079 0 - 1515 H2O 505 H2O H2 1 0.423800 1.0079 0 - 1516 H2O 506 H2O O1 2 -0.847600 15.9994 0 - 1517 H2O 506 H2O H1 1 0.423800 1.0079 0 - 1518 H2O 506 H2O H2 1 0.423800 1.0079 0 - 1519 H2O 507 H2O O1 2 -0.847600 15.9994 0 - 1520 H2O 507 H2O H1 1 0.423800 1.0079 0 - 1521 H2O 507 H2O H2 1 0.423800 1.0079 0 - 1522 H2O 508 H2O O1 2 -0.847600 15.9994 0 - 1523 H2O 508 H2O H1 1 0.423800 1.0079 0 - 1524 H2O 508 H2O H2 1 0.423800 1.0079 0 - 1525 H2O 509 H2O O1 2 -0.847600 15.9994 0 - 1526 H2O 509 H2O H1 1 0.423800 1.0079 0 - 1527 H2O 509 H2O H2 1 0.423800 1.0079 0 - 1528 H2O 510 H2O O1 2 -0.847600 15.9994 0 - 1529 H2O 510 H2O H1 1 0.423800 1.0079 0 - 1530 H2O 510 H2O H2 1 0.423800 1.0079 0 - 1531 H2O 511 H2O O1 2 -0.847600 15.9994 0 - 1532 H2O 511 H2O H1 1 0.423800 1.0079 0 - 1533 H2O 511 H2O H2 1 0.423800 1.0079 0 - 1534 H2O 512 H2O O1 2 -0.847600 15.9994 0 - 1535 H2O 512 H2O H1 1 0.423800 1.0079 0 - 1536 H2O 512 H2O H2 1 0.423800 1.0079 0 - 1537 H2O 513 H2O O1 2 -0.847600 15.9994 0 - 1538 H2O 513 H2O H1 1 0.423800 1.0079 0 - 1539 H2O 513 H2O H2 1 0.423800 1.0079 0 - 1540 H2O 514 H2O O1 2 -0.847600 15.9994 0 - 1541 H2O 514 H2O H1 1 0.423800 1.0079 0 - 1542 H2O 514 H2O H2 1 0.423800 1.0079 0 - 1543 H2O 515 H2O O1 2 -0.847600 15.9994 0 - 1544 H2O 515 H2O H1 1 0.423800 1.0079 0 - 1545 H2O 515 H2O H2 1 0.423800 1.0079 0 - 1546 H2O 516 H2O O1 2 -0.847600 15.9994 0 - 1547 H2O 516 H2O H1 1 0.423800 1.0079 0 - 1548 H2O 516 H2O H2 1 0.423800 1.0079 0 - 1549 H2O 517 H2O O1 2 -0.847600 15.9994 0 - 1550 H2O 517 H2O H1 1 0.423800 1.0079 0 - 1551 H2O 517 H2O H2 1 0.423800 1.0079 0 - 1552 H2O 518 H2O O1 2 -0.847600 15.9994 0 - 1553 H2O 518 H2O H1 1 0.423800 1.0079 0 - 1554 H2O 518 H2O H2 1 0.423800 1.0079 0 - 1555 H2O 519 H2O O1 2 -0.847600 15.9994 0 - 1556 H2O 519 H2O H1 1 0.423800 1.0079 0 - 1557 H2O 519 H2O H2 1 0.423800 1.0079 0 - 1558 H2O 520 H2O O1 2 -0.847600 15.9994 0 - 1559 H2O 520 H2O H1 1 0.423800 1.0079 0 - 1560 H2O 520 H2O H2 1 0.423800 1.0079 0 - 1561 H2O 521 H2O O1 2 -0.847600 15.9994 0 - 1562 H2O 521 H2O H1 1 0.423800 1.0079 0 - 1563 H2O 521 H2O H2 1 0.423800 1.0079 0 - 1564 H2O 522 H2O O1 2 -0.847600 15.9994 0 - 1565 H2O 522 H2O H1 1 0.423800 1.0079 0 - 1566 H2O 522 H2O H2 1 0.423800 1.0079 0 - 1567 H2O 523 H2O O1 2 -0.847600 15.9994 0 - 1568 H2O 523 H2O H1 1 0.423800 1.0079 0 - 1569 H2O 523 H2O H2 1 0.423800 1.0079 0 - 1570 H2O 524 H2O O1 2 -0.847600 15.9994 0 - 1571 H2O 524 H2O H1 1 0.423800 1.0079 0 - 1572 H2O 524 H2O H2 1 0.423800 1.0079 0 - 1573 H2O 525 H2O O1 2 -0.847600 15.9994 0 - 1574 H2O 525 H2O H1 1 0.423800 1.0079 0 - 1575 H2O 525 H2O H2 1 0.423800 1.0079 0 - 1576 H2O 526 H2O O1 2 -0.847600 15.9994 0 - 1577 H2O 526 H2O H1 1 0.423800 1.0079 0 - 1578 H2O 526 H2O H2 1 0.423800 1.0079 0 - 1579 H2O 527 H2O O1 2 -0.847600 15.9994 0 - 1580 H2O 527 H2O H1 1 0.423800 1.0079 0 - 1581 H2O 527 H2O H2 1 0.423800 1.0079 0 - 1582 H2O 528 H2O O1 2 -0.847600 15.9994 0 - 1583 H2O 528 H2O H1 1 0.423800 1.0079 0 - 1584 H2O 528 H2O H2 1 0.423800 1.0079 0 - 1585 H2O 529 H2O O1 2 -0.847600 15.9994 0 - 1586 H2O 529 H2O H1 1 0.423800 1.0079 0 - 1587 H2O 529 H2O H2 1 0.423800 1.0079 0 - 1588 H2O 530 H2O O1 2 -0.847600 15.9994 0 - 1589 H2O 530 H2O H1 1 0.423800 1.0079 0 - 1590 H2O 530 H2O H2 1 0.423800 1.0079 0 - 1591 H2O 531 H2O O1 2 -0.847600 15.9994 0 - 1592 H2O 531 H2O H1 1 0.423800 1.0079 0 - 1593 H2O 531 H2O H2 1 0.423800 1.0079 0 - 1594 H2O 532 H2O O1 2 -0.847600 15.9994 0 - 1595 H2O 532 H2O H1 1 0.423800 1.0079 0 - 1596 H2O 532 H2O H2 1 0.423800 1.0079 0 - 1597 H2O 533 H2O O1 2 -0.847600 15.9994 0 - 1598 H2O 533 H2O H1 1 0.423800 1.0079 0 - 1599 H2O 533 H2O H2 1 0.423800 1.0079 0 - 1600 H2O 534 H2O O1 2 -0.847600 15.9994 0 - 1601 H2O 534 H2O H1 1 0.423800 1.0079 0 - 1602 H2O 534 H2O H2 1 0.423800 1.0079 0 - 1603 H2O 535 H2O O1 2 -0.847600 15.9994 0 - 1604 H2O 535 H2O H1 1 0.423800 1.0079 0 - 1605 H2O 535 H2O H2 1 0.423800 1.0079 0 - 1606 H2O 536 H2O O1 2 -0.847600 15.9994 0 - 1607 H2O 536 H2O H1 1 0.423800 1.0079 0 - 1608 H2O 536 H2O H2 1 0.423800 1.0079 0 - 1609 H2O 537 H2O O1 2 -0.847600 15.9994 0 - 1610 H2O 537 H2O H1 1 0.423800 1.0079 0 - 1611 H2O 537 H2O H2 1 0.423800 1.0079 0 - 1612 H2O 538 H2O O1 2 -0.847600 15.9994 0 - 1613 H2O 538 H2O H1 1 0.423800 1.0079 0 - 1614 H2O 538 H2O H2 1 0.423800 1.0079 0 - 1615 H2O 539 H2O O1 2 -0.847600 15.9994 0 - 1616 H2O 539 H2O H1 1 0.423800 1.0079 0 - 1617 H2O 539 H2O H2 1 0.423800 1.0079 0 - 1618 H2O 540 H2O O1 2 -0.847600 15.9994 0 - 1619 H2O 540 H2O H1 1 0.423800 1.0079 0 - 1620 H2O 540 H2O H2 1 0.423800 1.0079 0 - 1621 H2O 541 H2O O1 2 -0.847600 15.9994 0 - 1622 H2O 541 H2O H1 1 0.423800 1.0079 0 - 1623 H2O 541 H2O H2 1 0.423800 1.0079 0 - 1624 H2O 542 H2O O1 2 -0.847600 15.9994 0 - 1625 H2O 542 H2O H1 1 0.423800 1.0079 0 - 1626 H2O 542 H2O H2 1 0.423800 1.0079 0 - 1627 H2O 543 H2O O1 2 -0.847600 15.9994 0 - 1628 H2O 543 H2O H1 1 0.423800 1.0079 0 - 1629 H2O 543 H2O H2 1 0.423800 1.0079 0 - 1630 H2O 544 H2O O1 2 -0.847600 15.9994 0 - 1631 H2O 544 H2O H1 1 0.423800 1.0079 0 - 1632 H2O 544 H2O H2 1 0.423800 1.0079 0 - 1633 H2O 545 H2O O1 2 -0.847600 15.9994 0 - 1634 H2O 545 H2O H1 1 0.423800 1.0079 0 - 1635 H2O 545 H2O H2 1 0.423800 1.0079 0 - 1636 H2O 546 H2O O1 2 -0.847600 15.9994 0 - 1637 H2O 546 H2O H1 1 0.423800 1.0079 0 - 1638 H2O 546 H2O H2 1 0.423800 1.0079 0 - 1639 H2O 547 H2O O1 2 -0.847600 15.9994 0 - 1640 H2O 547 H2O H1 1 0.423800 1.0079 0 - 1641 H2O 547 H2O H2 1 0.423800 1.0079 0 - 1642 H2O 548 H2O O1 2 -0.847600 15.9994 0 - 1643 H2O 548 H2O H1 1 0.423800 1.0079 0 - 1644 H2O 548 H2O H2 1 0.423800 1.0079 0 - 1645 H2O 549 H2O O1 2 -0.847600 15.9994 0 - 1646 H2O 549 H2O H1 1 0.423800 1.0079 0 - 1647 H2O 549 H2O H2 1 0.423800 1.0079 0 - 1648 H2O 550 H2O O1 2 -0.847600 15.9994 0 - 1649 H2O 550 H2O H1 1 0.423800 1.0079 0 - 1650 H2O 550 H2O H2 1 0.423800 1.0079 0 - 1651 H2O 551 H2O O1 2 -0.847600 15.9994 0 - 1652 H2O 551 H2O H1 1 0.423800 1.0079 0 - 1653 H2O 551 H2O H2 1 0.423800 1.0079 0 - 1654 H2O 552 H2O O1 2 -0.847600 15.9994 0 - 1655 H2O 552 H2O H1 1 0.423800 1.0079 0 - 1656 H2O 552 H2O H2 1 0.423800 1.0079 0 - 1657 H2O 553 H2O O1 2 -0.847600 15.9994 0 - 1658 H2O 553 H2O H1 1 0.423800 1.0079 0 - 1659 H2O 553 H2O H2 1 0.423800 1.0079 0 - 1660 H2O 554 H2O O1 2 -0.847600 15.9994 0 - 1661 H2O 554 H2O H1 1 0.423800 1.0079 0 - 1662 H2O 554 H2O H2 1 0.423800 1.0079 0 - 1663 H2O 555 H2O O1 2 -0.847600 15.9994 0 - 1664 H2O 555 H2O H1 1 0.423800 1.0079 0 - 1665 H2O 555 H2O H2 1 0.423800 1.0079 0 - 1666 H2O 556 H2O O1 2 -0.847600 15.9994 0 - 1667 H2O 556 H2O H1 1 0.423800 1.0079 0 - 1668 H2O 556 H2O H2 1 0.423800 1.0079 0 - 1669 H2O 557 H2O O1 2 -0.847600 15.9994 0 - 1670 H2O 557 H2O H1 1 0.423800 1.0079 0 - 1671 H2O 557 H2O H2 1 0.423800 1.0079 0 - 1672 H2O 558 H2O O1 2 -0.847600 15.9994 0 - 1673 H2O 558 H2O H1 1 0.423800 1.0079 0 - 1674 H2O 558 H2O H2 1 0.423800 1.0079 0 - 1675 H2O 559 H2O O1 2 -0.847600 15.9994 0 - 1676 H2O 559 H2O H1 1 0.423800 1.0079 0 - 1677 H2O 559 H2O H2 1 0.423800 1.0079 0 - 1678 H2O 560 H2O O1 2 -0.847600 15.9994 0 - 1679 H2O 560 H2O H1 1 0.423800 1.0079 0 - 1680 H2O 560 H2O H2 1 0.423800 1.0079 0 - 1681 H2O 561 H2O O1 2 -0.847600 15.9994 0 - 1682 H2O 561 H2O H1 1 0.423800 1.0079 0 - 1683 H2O 561 H2O H2 1 0.423800 1.0079 0 - 1684 H2O 562 H2O O1 2 -0.847600 15.9994 0 - 1685 H2O 562 H2O H1 1 0.423800 1.0079 0 - 1686 H2O 562 H2O H2 1 0.423800 1.0079 0 - 1687 H2O 563 H2O O1 2 -0.847600 15.9994 0 - 1688 H2O 563 H2O H1 1 0.423800 1.0079 0 - 1689 H2O 563 H2O H2 1 0.423800 1.0079 0 - 1690 H2O 564 H2O O1 2 -0.847600 15.9994 0 - 1691 H2O 564 H2O H1 1 0.423800 1.0079 0 - 1692 H2O 564 H2O H2 1 0.423800 1.0079 0 - 1693 H2O 565 H2O O1 2 -0.847600 15.9994 0 - 1694 H2O 565 H2O H1 1 0.423800 1.0079 0 - 1695 H2O 565 H2O H2 1 0.423800 1.0079 0 - 1696 H2O 566 H2O O1 2 -0.847600 15.9994 0 - 1697 H2O 566 H2O H1 1 0.423800 1.0079 0 - 1698 H2O 566 H2O H2 1 0.423800 1.0079 0 - 1699 H2O 567 H2O O1 2 -0.847600 15.9994 0 - 1700 H2O 567 H2O H1 1 0.423800 1.0079 0 - 1701 H2O 567 H2O H2 1 0.423800 1.0079 0 - 1702 H2O 568 H2O O1 2 -0.847600 15.9994 0 - 1703 H2O 568 H2O H1 1 0.423800 1.0079 0 - 1704 H2O 568 H2O H2 1 0.423800 1.0079 0 - 1705 H2O 569 H2O O1 2 -0.847600 15.9994 0 - 1706 H2O 569 H2O H1 1 0.423800 1.0079 0 - 1707 H2O 569 H2O H2 1 0.423800 1.0079 0 - 1708 H2O 570 H2O O1 2 -0.847600 15.9994 0 - 1709 H2O 570 H2O H1 1 0.423800 1.0079 0 - 1710 H2O 570 H2O H2 1 0.423800 1.0079 0 - 1711 H2O 571 H2O O1 2 -0.847600 15.9994 0 - 1712 H2O 571 H2O H1 1 0.423800 1.0079 0 - 1713 H2O 571 H2O H2 1 0.423800 1.0079 0 - 1714 H2O 572 H2O O1 2 -0.847600 15.9994 0 - 1715 H2O 572 H2O H1 1 0.423800 1.0079 0 - 1716 H2O 572 H2O H2 1 0.423800 1.0079 0 - 1717 H2O 573 H2O O1 2 -0.847600 15.9994 0 - 1718 H2O 573 H2O H1 1 0.423800 1.0079 0 - 1719 H2O 573 H2O H2 1 0.423800 1.0079 0 - 1720 H2O 574 H2O O1 2 -0.847600 15.9994 0 - 1721 H2O 574 H2O H1 1 0.423800 1.0079 0 - 1722 H2O 574 H2O H2 1 0.423800 1.0079 0 - 1723 H2O 575 H2O O1 2 -0.847600 15.9994 0 - 1724 H2O 575 H2O H1 1 0.423800 1.0079 0 - 1725 H2O 575 H2O H2 1 0.423800 1.0079 0 - 1726 H2O 576 H2O O1 2 -0.847600 15.9994 0 - 1727 H2O 576 H2O H1 1 0.423800 1.0079 0 - 1728 H2O 576 H2O H2 1 0.423800 1.0079 0 - 1729 H2O 577 H2O O1 2 -0.847600 15.9994 0 - 1730 H2O 577 H2O H1 1 0.423800 1.0079 0 - 1731 H2O 577 H2O H2 1 0.423800 1.0079 0 - 1732 H2O 578 H2O O1 2 -0.847600 15.9994 0 - 1733 H2O 578 H2O H1 1 0.423800 1.0079 0 - 1734 H2O 578 H2O H2 1 0.423800 1.0079 0 - 1735 H2O 579 H2O O1 2 -0.847600 15.9994 0 - 1736 H2O 579 H2O H1 1 0.423800 1.0079 0 - 1737 H2O 579 H2O H2 1 0.423800 1.0079 0 - 1738 H2O 580 H2O O1 2 -0.847600 15.9994 0 - 1739 H2O 580 H2O H1 1 0.423800 1.0079 0 - 1740 H2O 580 H2O H2 1 0.423800 1.0079 0 - 1741 H2O 581 H2O O1 2 -0.847600 15.9994 0 - 1742 H2O 581 H2O H1 1 0.423800 1.0079 0 - 1743 H2O 581 H2O H2 1 0.423800 1.0079 0 - 1744 H2O 582 H2O O1 2 -0.847600 15.9994 0 - 1745 H2O 582 H2O H1 1 0.423800 1.0079 0 - 1746 H2O 582 H2O H2 1 0.423800 1.0079 0 - 1747 H2O 583 H2O O1 2 -0.847600 15.9994 0 - 1748 H2O 583 H2O H1 1 0.423800 1.0079 0 - 1749 H2O 583 H2O H2 1 0.423800 1.0079 0 - 1750 H2O 584 H2O O1 2 -0.847600 15.9994 0 - 1751 H2O 584 H2O H1 1 0.423800 1.0079 0 - 1752 H2O 584 H2O H2 1 0.423800 1.0079 0 - 1753 H2O 585 H2O O1 2 -0.847600 15.9994 0 - 1754 H2O 585 H2O H1 1 0.423800 1.0079 0 - 1755 H2O 585 H2O H2 1 0.423800 1.0079 0 - 1756 H2O 586 H2O O1 2 -0.847600 15.9994 0 - 1757 H2O 586 H2O H1 1 0.423800 1.0079 0 - 1758 H2O 586 H2O H2 1 0.423800 1.0079 0 - 1759 H2O 587 H2O O1 2 -0.847600 15.9994 0 - 1760 H2O 587 H2O H1 1 0.423800 1.0079 0 - 1761 H2O 587 H2O H2 1 0.423800 1.0079 0 - 1762 H2O 588 H2O O1 2 -0.847600 15.9994 0 - 1763 H2O 588 H2O H1 1 0.423800 1.0079 0 - 1764 H2O 588 H2O H2 1 0.423800 1.0079 0 - 1765 H2O 589 H2O O1 2 -0.847600 15.9994 0 - 1766 H2O 589 H2O H1 1 0.423800 1.0079 0 - 1767 H2O 589 H2O H2 1 0.423800 1.0079 0 - 1768 H2O 590 H2O O1 2 -0.847600 15.9994 0 - 1769 H2O 590 H2O H1 1 0.423800 1.0079 0 - 1770 H2O 590 H2O H2 1 0.423800 1.0079 0 - 1771 H2O 591 H2O O1 2 -0.847600 15.9994 0 - 1772 H2O 591 H2O H1 1 0.423800 1.0079 0 - 1773 H2O 591 H2O H2 1 0.423800 1.0079 0 - 1774 H2O 592 H2O O1 2 -0.847600 15.9994 0 - 1775 H2O 592 H2O H1 1 0.423800 1.0079 0 - 1776 H2O 592 H2O H2 1 0.423800 1.0079 0 - 1777 H2O 593 H2O O1 2 -0.847600 15.9994 0 - 1778 H2O 593 H2O H1 1 0.423800 1.0079 0 - 1779 H2O 593 H2O H2 1 0.423800 1.0079 0 - 1780 H2O 594 H2O O1 2 -0.847600 15.9994 0 - 1781 H2O 594 H2O H1 1 0.423800 1.0079 0 - 1782 H2O 594 H2O H2 1 0.423800 1.0079 0 - 1783 H2O 595 H2O O1 2 -0.847600 15.9994 0 - 1784 H2O 595 H2O H1 1 0.423800 1.0079 0 - 1785 H2O 595 H2O H2 1 0.423800 1.0079 0 - 1786 H2O 596 H2O O1 2 -0.847600 15.9994 0 - 1787 H2O 596 H2O H1 1 0.423800 1.0079 0 - 1788 H2O 596 H2O H2 1 0.423800 1.0079 0 - 1789 H2O 597 H2O O1 2 -0.847600 15.9994 0 - 1790 H2O 597 H2O H1 1 0.423800 1.0079 0 - 1791 H2O 597 H2O H2 1 0.423800 1.0079 0 - 1792 H2O 598 H2O O1 2 -0.847600 15.9994 0 - 1793 H2O 598 H2O H1 1 0.423800 1.0079 0 - 1794 H2O 598 H2O H2 1 0.423800 1.0079 0 - 1795 H2O 599 H2O O1 2 -0.847600 15.9994 0 - 1796 H2O 599 H2O H1 1 0.423800 1.0079 0 - 1797 H2O 599 H2O H2 1 0.423800 1.0079 0 - 1798 H2O 600 H2O O1 2 -0.847600 15.9994 0 - 1799 H2O 600 H2O H1 1 0.423800 1.0079 0 - 1800 H2O 600 H2O H2 1 0.423800 1.0079 0 - 1801 H2O 601 H2O O1 2 -0.847600 15.9994 0 - 1802 H2O 601 H2O H1 1 0.423800 1.0079 0 - 1803 H2O 601 H2O H2 1 0.423800 1.0079 0 - 1804 H2O 602 H2O O1 2 -0.847600 15.9994 0 - 1805 H2O 602 H2O H1 1 0.423800 1.0079 0 - 1806 H2O 602 H2O H2 1 0.423800 1.0079 0 - 1807 H2O 603 H2O O1 2 -0.847600 15.9994 0 - 1808 H2O 603 H2O H1 1 0.423800 1.0079 0 - 1809 H2O 603 H2O H2 1 0.423800 1.0079 0 - 1810 H2O 604 H2O O1 2 -0.847600 15.9994 0 - 1811 H2O 604 H2O H1 1 0.423800 1.0079 0 - 1812 H2O 604 H2O H2 1 0.423800 1.0079 0 - 1813 H2O 605 H2O O1 2 -0.847600 15.9994 0 - 1814 H2O 605 H2O H1 1 0.423800 1.0079 0 - 1815 H2O 605 H2O H2 1 0.423800 1.0079 0 - 1816 H2O 606 H2O O1 2 -0.847600 15.9994 0 - 1817 H2O 606 H2O H1 1 0.423800 1.0079 0 - 1818 H2O 606 H2O H2 1 0.423800 1.0079 0 - 1819 H2O 607 H2O O1 2 -0.847600 15.9994 0 - 1820 H2O 607 H2O H1 1 0.423800 1.0079 0 - 1821 H2O 607 H2O H2 1 0.423800 1.0079 0 - 1822 H2O 608 H2O O1 2 -0.847600 15.9994 0 - 1823 H2O 608 H2O H1 1 0.423800 1.0079 0 - 1824 H2O 608 H2O H2 1 0.423800 1.0079 0 - 1825 H2O 609 H2O O1 2 -0.847600 15.9994 0 - 1826 H2O 609 H2O H1 1 0.423800 1.0079 0 - 1827 H2O 609 H2O H2 1 0.423800 1.0079 0 - 1828 H2O 610 H2O O1 2 -0.847600 15.9994 0 - 1829 H2O 610 H2O H1 1 0.423800 1.0079 0 - 1830 H2O 610 H2O H2 1 0.423800 1.0079 0 - 1831 H2O 611 H2O O1 2 -0.847600 15.9994 0 - 1832 H2O 611 H2O H1 1 0.423800 1.0079 0 - 1833 H2O 611 H2O H2 1 0.423800 1.0079 0 - 1834 H2O 612 H2O O1 2 -0.847600 15.9994 0 - 1835 H2O 612 H2O H1 1 0.423800 1.0079 0 - 1836 H2O 612 H2O H2 1 0.423800 1.0079 0 - 1837 H2O 613 H2O O1 2 -0.847600 15.9994 0 - 1838 H2O 613 H2O H1 1 0.423800 1.0079 0 - 1839 H2O 613 H2O H2 1 0.423800 1.0079 0 - 1840 H2O 614 H2O O1 2 -0.847600 15.9994 0 - 1841 H2O 614 H2O H1 1 0.423800 1.0079 0 - 1842 H2O 614 H2O H2 1 0.423800 1.0079 0 - 1843 H2O 615 H2O O1 2 -0.847600 15.9994 0 - 1844 H2O 615 H2O H1 1 0.423800 1.0079 0 - 1845 H2O 615 H2O H2 1 0.423800 1.0079 0 - 1846 H2O 616 H2O O1 2 -0.847600 15.9994 0 - 1847 H2O 616 H2O H1 1 0.423800 1.0079 0 - 1848 H2O 616 H2O H2 1 0.423800 1.0079 0 - 1849 H2O 617 H2O O1 2 -0.847600 15.9994 0 - 1850 H2O 617 H2O H1 1 0.423800 1.0079 0 - 1851 H2O 617 H2O H2 1 0.423800 1.0079 0 - 1852 H2O 618 H2O O1 2 -0.847600 15.9994 0 - 1853 H2O 618 H2O H1 1 0.423800 1.0079 0 - 1854 H2O 618 H2O H2 1 0.423800 1.0079 0 - 1855 H2O 619 H2O O1 2 -0.847600 15.9994 0 - 1856 H2O 619 H2O H1 1 0.423800 1.0079 0 - 1857 H2O 619 H2O H2 1 0.423800 1.0079 0 - 1858 H2O 620 H2O O1 2 -0.847600 15.9994 0 - 1859 H2O 620 H2O H1 1 0.423800 1.0079 0 - 1860 H2O 620 H2O H2 1 0.423800 1.0079 0 - 1861 H2O 621 H2O O1 2 -0.847600 15.9994 0 - 1862 H2O 621 H2O H1 1 0.423800 1.0079 0 - 1863 H2O 621 H2O H2 1 0.423800 1.0079 0 - 1864 H2O 622 H2O O1 2 -0.847600 15.9994 0 - 1865 H2O 622 H2O H1 1 0.423800 1.0079 0 - 1866 H2O 622 H2O H2 1 0.423800 1.0079 0 - 1867 H2O 623 H2O O1 2 -0.847600 15.9994 0 - 1868 H2O 623 H2O H1 1 0.423800 1.0079 0 - 1869 H2O 623 H2O H2 1 0.423800 1.0079 0 - 1870 H2O 624 H2O O1 2 -0.847600 15.9994 0 - 1871 H2O 624 H2O H1 1 0.423800 1.0079 0 - 1872 H2O 624 H2O H2 1 0.423800 1.0079 0 - 1873 H2O 625 H2O O1 2 -0.847600 15.9994 0 - 1874 H2O 625 H2O H1 1 0.423800 1.0079 0 - 1875 H2O 625 H2O H2 1 0.423800 1.0079 0 - 1876 H2O 626 H2O O1 2 -0.847600 15.9994 0 - 1877 H2O 626 H2O H1 1 0.423800 1.0079 0 - 1878 H2O 626 H2O H2 1 0.423800 1.0079 0 - 1879 H2O 627 H2O O1 2 -0.847600 15.9994 0 - 1880 H2O 627 H2O H1 1 0.423800 1.0079 0 - 1881 H2O 627 H2O H2 1 0.423800 1.0079 0 - 1882 H2O 628 H2O O1 2 -0.847600 15.9994 0 - 1883 H2O 628 H2O H1 1 0.423800 1.0079 0 - 1884 H2O 628 H2O H2 1 0.423800 1.0079 0 - 1885 H2O 629 H2O O1 2 -0.847600 15.9994 0 - 1886 H2O 629 H2O H1 1 0.423800 1.0079 0 - 1887 H2O 629 H2O H2 1 0.423800 1.0079 0 - 1888 H2O 630 H2O O1 2 -0.847600 15.9994 0 - 1889 H2O 630 H2O H1 1 0.423800 1.0079 0 - 1890 H2O 630 H2O H2 1 0.423800 1.0079 0 - 1891 H2O 631 H2O O1 2 -0.847600 15.9994 0 - 1892 H2O 631 H2O H1 1 0.423800 1.0079 0 - 1893 H2O 631 H2O H2 1 0.423800 1.0079 0 - 1894 H2O 632 H2O O1 2 -0.847600 15.9994 0 - 1895 H2O 632 H2O H1 1 0.423800 1.0079 0 - 1896 H2O 632 H2O H2 1 0.423800 1.0079 0 - 1897 H2O 633 H2O O1 2 -0.847600 15.9994 0 - 1898 H2O 633 H2O H1 1 0.423800 1.0079 0 - 1899 H2O 633 H2O H2 1 0.423800 1.0079 0 - 1900 H2O 634 H2O O1 2 -0.847600 15.9994 0 - 1901 H2O 634 H2O H1 1 0.423800 1.0079 0 - 1902 H2O 634 H2O H2 1 0.423800 1.0079 0 - 1903 H2O 635 H2O O1 2 -0.847600 15.9994 0 - 1904 H2O 635 H2O H1 1 0.423800 1.0079 0 - 1905 H2O 635 H2O H2 1 0.423800 1.0079 0 - 1906 H2O 636 H2O O1 2 -0.847600 15.9994 0 - 1907 H2O 636 H2O H1 1 0.423800 1.0079 0 - 1908 H2O 636 H2O H2 1 0.423800 1.0079 0 - 1909 H2O 637 H2O O1 2 -0.847600 15.9994 0 - 1910 H2O 637 H2O H1 1 0.423800 1.0079 0 - 1911 H2O 637 H2O H2 1 0.423800 1.0079 0 - 1912 H2O 638 H2O O1 2 -0.847600 15.9994 0 - 1913 H2O 638 H2O H1 1 0.423800 1.0079 0 - 1914 H2O 638 H2O H2 1 0.423800 1.0079 0 - 1915 H2O 639 H2O O1 2 -0.847600 15.9994 0 - 1916 H2O 639 H2O H1 1 0.423800 1.0079 0 - 1917 H2O 639 H2O H2 1 0.423800 1.0079 0 - 1918 H2O 640 H2O O1 2 -0.847600 15.9994 0 - 1919 H2O 640 H2O H1 1 0.423800 1.0079 0 - 1920 H2O 640 H2O H2 1 0.423800 1.0079 0 - 1921 H2O 641 H2O O1 2 -0.847600 15.9994 0 - 1922 H2O 641 H2O H1 1 0.423800 1.0079 0 - 1923 H2O 641 H2O H2 1 0.423800 1.0079 0 - 1924 H2O 642 H2O O1 2 -0.847600 15.9994 0 - 1925 H2O 642 H2O H1 1 0.423800 1.0079 0 - 1926 H2O 642 H2O H2 1 0.423800 1.0079 0 - 1927 H2O 643 H2O O1 2 -0.847600 15.9994 0 - 1928 H2O 643 H2O H1 1 0.423800 1.0079 0 - 1929 H2O 643 H2O H2 1 0.423800 1.0079 0 - 1930 H2O 644 H2O O1 2 -0.847600 15.9994 0 - 1931 H2O 644 H2O H1 1 0.423800 1.0079 0 - 1932 H2O 644 H2O H2 1 0.423800 1.0079 0 - 1933 H2O 645 H2O O1 2 -0.847600 15.9994 0 - 1934 H2O 645 H2O H1 1 0.423800 1.0079 0 - 1935 H2O 645 H2O H2 1 0.423800 1.0079 0 - 1936 H2O 646 H2O O1 2 -0.847600 15.9994 0 - 1937 H2O 646 H2O H1 1 0.423800 1.0079 0 - 1938 H2O 646 H2O H2 1 0.423800 1.0079 0 - 1939 H2O 647 H2O O1 2 -0.847600 15.9994 0 - 1940 H2O 647 H2O H1 1 0.423800 1.0079 0 - 1941 H2O 647 H2O H2 1 0.423800 1.0079 0 - 1942 H2O 648 H2O O1 2 -0.847600 15.9994 0 - 1943 H2O 648 H2O H1 1 0.423800 1.0079 0 - 1944 H2O 648 H2O H2 1 0.423800 1.0079 0 - 1945 H2O 649 H2O O1 2 -0.847600 15.9994 0 - 1946 H2O 649 H2O H1 1 0.423800 1.0079 0 - 1947 H2O 649 H2O H2 1 0.423800 1.0079 0 - 1948 H2O 650 H2O O1 2 -0.847600 15.9994 0 - 1949 H2O 650 H2O H1 1 0.423800 1.0079 0 - 1950 H2O 650 H2O H2 1 0.423800 1.0079 0 - 1951 H2O 651 H2O O1 2 -0.847600 15.9994 0 - 1952 H2O 651 H2O H1 1 0.423800 1.0079 0 - 1953 H2O 651 H2O H2 1 0.423800 1.0079 0 - 1954 H2O 652 H2O O1 2 -0.847600 15.9994 0 - 1955 H2O 652 H2O H1 1 0.423800 1.0079 0 - 1956 H2O 652 H2O H2 1 0.423800 1.0079 0 - 1957 H2O 653 H2O O1 2 -0.847600 15.9994 0 - 1958 H2O 653 H2O H1 1 0.423800 1.0079 0 - 1959 H2O 653 H2O H2 1 0.423800 1.0079 0 - 1960 H2O 654 H2O O1 2 -0.847600 15.9994 0 - 1961 H2O 654 H2O H1 1 0.423800 1.0079 0 - 1962 H2O 654 H2O H2 1 0.423800 1.0079 0 - 1963 H2O 655 H2O O1 2 -0.847600 15.9994 0 - 1964 H2O 655 H2O H1 1 0.423800 1.0079 0 - 1965 H2O 655 H2O H2 1 0.423800 1.0079 0 - 1966 H2O 656 H2O O1 2 -0.847600 15.9994 0 - 1967 H2O 656 H2O H1 1 0.423800 1.0079 0 - 1968 H2O 656 H2O H2 1 0.423800 1.0079 0 - 1969 H2O 657 H2O O1 2 -0.847600 15.9994 0 - 1970 H2O 657 H2O H1 1 0.423800 1.0079 0 - 1971 H2O 657 H2O H2 1 0.423800 1.0079 0 - 1972 H2O 658 H2O O1 2 -0.847600 15.9994 0 - 1973 H2O 658 H2O H1 1 0.423800 1.0079 0 - 1974 H2O 658 H2O H2 1 0.423800 1.0079 0 - 1975 H2O 659 H2O O1 2 -0.847600 15.9994 0 - 1976 H2O 659 H2O H1 1 0.423800 1.0079 0 - 1977 H2O 659 H2O H2 1 0.423800 1.0079 0 - 1978 H2O 660 H2O O1 2 -0.847600 15.9994 0 - 1979 H2O 660 H2O H1 1 0.423800 1.0079 0 - 1980 H2O 660 H2O H2 1 0.423800 1.0079 0 - 1981 H2O 661 H2O O1 2 -0.847600 15.9994 0 - 1982 H2O 661 H2O H1 1 0.423800 1.0079 0 - 1983 H2O 661 H2O H2 1 0.423800 1.0079 0 - 1984 H2O 662 H2O O1 2 -0.847600 15.9994 0 - 1985 H2O 662 H2O H1 1 0.423800 1.0079 0 - 1986 H2O 662 H2O H2 1 0.423800 1.0079 0 - 1987 H2O 663 H2O O1 2 -0.847600 15.9994 0 - 1988 H2O 663 H2O H1 1 0.423800 1.0079 0 - 1989 H2O 663 H2O H2 1 0.423800 1.0079 0 - 1990 H2O 664 H2O O1 2 -0.847600 15.9994 0 - 1991 H2O 664 H2O H1 1 0.423800 1.0079 0 - 1992 H2O 664 H2O H2 1 0.423800 1.0079 0 - 1993 H2O 665 H2O O1 2 -0.847600 15.9994 0 - 1994 H2O 665 H2O H1 1 0.423800 1.0079 0 - 1995 H2O 665 H2O H2 1 0.423800 1.0079 0 - 1996 H2O 666 H2O O1 2 -0.847600 15.9994 0 - 1997 H2O 666 H2O H1 1 0.423800 1.0079 0 - 1998 H2O 666 H2O H2 1 0.423800 1.0079 0 - 1999 H2O 667 H2O O1 2 -0.847600 15.9994 0 - 2000 H2O 667 H2O H1 1 0.423800 1.0079 0 - 2001 H2O 667 H2O H2 1 0.423800 1.0079 0 - 2002 H2O 668 H2O O1 2 -0.847600 15.9994 0 - 2003 H2O 668 H2O H1 1 0.423800 1.0079 0 - 2004 H2O 668 H2O H2 1 0.423800 1.0079 0 - 2005 H2O 669 H2O O1 2 -0.847600 15.9994 0 - 2006 H2O 669 H2O H1 1 0.423800 1.0079 0 - 2007 H2O 669 H2O H2 1 0.423800 1.0079 0 - 2008 H2O 670 H2O O1 2 -0.847600 15.9994 0 - 2009 H2O 670 H2O H1 1 0.423800 1.0079 0 - 2010 H2O 670 H2O H2 1 0.423800 1.0079 0 - 2011 H2O 671 H2O O1 2 -0.847600 15.9994 0 - 2012 H2O 671 H2O H1 1 0.423800 1.0079 0 - 2013 H2O 671 H2O H2 1 0.423800 1.0079 0 - 2014 H2O 672 H2O O1 2 -0.847600 15.9994 0 - 2015 H2O 672 H2O H1 1 0.423800 1.0079 0 - 2016 H2O 672 H2O H2 1 0.423800 1.0079 0 - 2017 H2O 673 H2O O1 2 -0.847600 15.9994 0 - 2018 H2O 673 H2O H1 1 0.423800 1.0079 0 - 2019 H2O 673 H2O H2 1 0.423800 1.0079 0 - 2020 H2O 674 H2O O1 2 -0.847600 15.9994 0 - 2021 H2O 674 H2O H1 1 0.423800 1.0079 0 - 2022 H2O 674 H2O H2 1 0.423800 1.0079 0 - 2023 H2O 675 H2O O1 2 -0.847600 15.9994 0 - 2024 H2O 675 H2O H1 1 0.423800 1.0079 0 - 2025 H2O 675 H2O H2 1 0.423800 1.0079 0 - 2026 H2O 676 H2O O1 2 -0.847600 15.9994 0 - 2027 H2O 676 H2O H1 1 0.423800 1.0079 0 - 2028 H2O 676 H2O H2 1 0.423800 1.0079 0 - 2029 H2O 677 H2O O1 2 -0.847600 15.9994 0 - 2030 H2O 677 H2O H1 1 0.423800 1.0079 0 - 2031 H2O 677 H2O H2 1 0.423800 1.0079 0 - 2032 H2O 678 H2O O1 2 -0.847600 15.9994 0 - 2033 H2O 678 H2O H1 1 0.423800 1.0079 0 - 2034 H2O 678 H2O H2 1 0.423800 1.0079 0 - 2035 H2O 679 H2O O1 2 -0.847600 15.9994 0 - 2036 H2O 679 H2O H1 1 0.423800 1.0079 0 - 2037 H2O 679 H2O H2 1 0.423800 1.0079 0 - 2038 H2O 680 H2O O1 2 -0.847600 15.9994 0 - 2039 H2O 680 H2O H1 1 0.423800 1.0079 0 - 2040 H2O 680 H2O H2 1 0.423800 1.0079 0 - 2041 H2O 681 H2O O1 2 -0.847600 15.9994 0 - 2042 H2O 681 H2O H1 1 0.423800 1.0079 0 - 2043 H2O 681 H2O H2 1 0.423800 1.0079 0 - 2044 H2O 682 H2O O1 2 -0.847600 15.9994 0 - 2045 H2O 682 H2O H1 1 0.423800 1.0079 0 - 2046 H2O 682 H2O H2 1 0.423800 1.0079 0 - 2047 H2O 683 H2O O1 2 -0.847600 15.9994 0 - 2048 H2O 683 H2O H1 1 0.423800 1.0079 0 - 2049 H2O 683 H2O H2 1 0.423800 1.0079 0 - 2050 H2O 684 H2O O1 2 -0.847600 15.9994 0 - 2051 H2O 684 H2O H1 1 0.423800 1.0079 0 - 2052 H2O 684 H2O H2 1 0.423800 1.0079 0 - 2053 H2O 685 H2O O1 2 -0.847600 15.9994 0 - 2054 H2O 685 H2O H1 1 0.423800 1.0079 0 - 2055 H2O 685 H2O H2 1 0.423800 1.0079 0 - 2056 H2O 686 H2O O1 2 -0.847600 15.9994 0 - 2057 H2O 686 H2O H1 1 0.423800 1.0079 0 - 2058 H2O 686 H2O H2 1 0.423800 1.0079 0 - 2059 H2O 687 H2O O1 2 -0.847600 15.9994 0 - 2060 H2O 687 H2O H1 1 0.423800 1.0079 0 - 2061 H2O 687 H2O H2 1 0.423800 1.0079 0 - 2062 H2O 688 H2O O1 2 -0.847600 15.9994 0 - 2063 H2O 688 H2O H1 1 0.423800 1.0079 0 - 2064 H2O 688 H2O H2 1 0.423800 1.0079 0 - 2065 H2O 689 H2O O1 2 -0.847600 15.9994 0 - 2066 H2O 689 H2O H1 1 0.423800 1.0079 0 - 2067 H2O 689 H2O H2 1 0.423800 1.0079 0 - 2068 H2O 690 H2O O1 2 -0.847600 15.9994 0 - 2069 H2O 690 H2O H1 1 0.423800 1.0079 0 - 2070 H2O 690 H2O H2 1 0.423800 1.0079 0 - 2071 H2O 691 H2O O1 2 -0.847600 15.9994 0 - 2072 H2O 691 H2O H1 1 0.423800 1.0079 0 - 2073 H2O 691 H2O H2 1 0.423800 1.0079 0 - 2074 H2O 692 H2O O1 2 -0.847600 15.9994 0 - 2075 H2O 692 H2O H1 1 0.423800 1.0079 0 - 2076 H2O 692 H2O H2 1 0.423800 1.0079 0 - 2077 H2O 693 H2O O1 2 -0.847600 15.9994 0 - 2078 H2O 693 H2O H1 1 0.423800 1.0079 0 - 2079 H2O 693 H2O H2 1 0.423800 1.0079 0 - 2080 H2O 694 H2O O1 2 -0.847600 15.9994 0 - 2081 H2O 694 H2O H1 1 0.423800 1.0079 0 - 2082 H2O 694 H2O H2 1 0.423800 1.0079 0 - 2083 H2O 695 H2O O1 2 -0.847600 15.9994 0 - 2084 H2O 695 H2O H1 1 0.423800 1.0079 0 - 2085 H2O 695 H2O H2 1 0.423800 1.0079 0 - 2086 H2O 696 H2O O1 2 -0.847600 15.9994 0 - 2087 H2O 696 H2O H1 1 0.423800 1.0079 0 - 2088 H2O 696 H2O H2 1 0.423800 1.0079 0 - 2089 H2O 697 H2O O1 2 -0.847600 15.9994 0 - 2090 H2O 697 H2O H1 1 0.423800 1.0079 0 - 2091 H2O 697 H2O H2 1 0.423800 1.0079 0 - 2092 H2O 698 H2O O1 2 -0.847600 15.9994 0 - 2093 H2O 698 H2O H1 1 0.423800 1.0079 0 - 2094 H2O 698 H2O H2 1 0.423800 1.0079 0 - 2095 H2O 699 H2O O1 2 -0.847600 15.9994 0 - 2096 H2O 699 H2O H1 1 0.423800 1.0079 0 - 2097 H2O 699 H2O H2 1 0.423800 1.0079 0 - 2098 H2O 700 H2O O1 2 -0.847600 15.9994 0 - 2099 H2O 700 H2O H1 1 0.423800 1.0079 0 - 2100 H2O 700 H2O H2 1 0.423800 1.0079 0 - 2101 H2O 701 H2O O1 2 -0.847600 15.9994 0 - 2102 H2O 701 H2O H1 1 0.423800 1.0079 0 - 2103 H2O 701 H2O H2 1 0.423800 1.0079 0 - 2104 H2O 702 H2O O1 2 -0.847600 15.9994 0 - 2105 H2O 702 H2O H1 1 0.423800 1.0079 0 - 2106 H2O 702 H2O H2 1 0.423800 1.0079 0 - 2107 H2O 703 H2O O1 2 -0.847600 15.9994 0 - 2108 H2O 703 H2O H1 1 0.423800 1.0079 0 - 2109 H2O 703 H2O H2 1 0.423800 1.0079 0 - 2110 H2O 704 H2O O1 2 -0.847600 15.9994 0 - 2111 H2O 704 H2O H1 1 0.423800 1.0079 0 - 2112 H2O 704 H2O H2 1 0.423800 1.0079 0 - 2113 H2O 705 H2O O1 2 -0.847600 15.9994 0 - 2114 H2O 705 H2O H1 1 0.423800 1.0079 0 - 2115 H2O 705 H2O H2 1 0.423800 1.0079 0 - 2116 H2O 706 H2O O1 2 -0.847600 15.9994 0 - 2117 H2O 706 H2O H1 1 0.423800 1.0079 0 - 2118 H2O 706 H2O H2 1 0.423800 1.0079 0 - 2119 H2O 707 H2O O1 2 -0.847600 15.9994 0 - 2120 H2O 707 H2O H1 1 0.423800 1.0079 0 - 2121 H2O 707 H2O H2 1 0.423800 1.0079 0 - 2122 H2O 708 H2O O1 2 -0.847600 15.9994 0 - 2123 H2O 708 H2O H1 1 0.423800 1.0079 0 - 2124 H2O 708 H2O H2 1 0.423800 1.0079 0 - 2125 H2O 709 H2O O1 2 -0.847600 15.9994 0 - 2126 H2O 709 H2O H1 1 0.423800 1.0079 0 - 2127 H2O 709 H2O H2 1 0.423800 1.0079 0 - 2128 H2O 710 H2O O1 2 -0.847600 15.9994 0 - 2129 H2O 710 H2O H1 1 0.423800 1.0079 0 - 2130 H2O 710 H2O H2 1 0.423800 1.0079 0 - 2131 H2O 711 H2O O1 2 -0.847600 15.9994 0 - 2132 H2O 711 H2O H1 1 0.423800 1.0079 0 - 2133 H2O 711 H2O H2 1 0.423800 1.0079 0 - 2134 H2O 712 H2O O1 2 -0.847600 15.9994 0 - 2135 H2O 712 H2O H1 1 0.423800 1.0079 0 - 2136 H2O 712 H2O H2 1 0.423800 1.0079 0 - 2137 H2O 713 H2O O1 2 -0.847600 15.9994 0 - 2138 H2O 713 H2O H1 1 0.423800 1.0079 0 - 2139 H2O 713 H2O H2 1 0.423800 1.0079 0 - 2140 H2O 714 H2O O1 2 -0.847600 15.9994 0 - 2141 H2O 714 H2O H1 1 0.423800 1.0079 0 - 2142 H2O 714 H2O H2 1 0.423800 1.0079 0 - 2143 H2O 715 H2O O1 2 -0.847600 15.9994 0 - 2144 H2O 715 H2O H1 1 0.423800 1.0079 0 - 2145 H2O 715 H2O H2 1 0.423800 1.0079 0 - 2146 H2O 716 H2O O1 2 -0.847600 15.9994 0 - 2147 H2O 716 H2O H1 1 0.423800 1.0079 0 - 2148 H2O 716 H2O H2 1 0.423800 1.0079 0 - 2149 H2O 717 H2O O1 2 -0.847600 15.9994 0 - 2150 H2O 717 H2O H1 1 0.423800 1.0079 0 - 2151 H2O 717 H2O H2 1 0.423800 1.0079 0 - 2152 H2O 718 H2O O1 2 -0.847600 15.9994 0 - 2153 H2O 718 H2O H1 1 0.423800 1.0079 0 - 2154 H2O 718 H2O H2 1 0.423800 1.0079 0 - 2155 H2O 719 H2O O1 2 -0.847600 15.9994 0 - 2156 H2O 719 H2O H1 1 0.423800 1.0079 0 - 2157 H2O 719 H2O H2 1 0.423800 1.0079 0 - 2158 H2O 720 H2O O1 2 -0.847600 15.9994 0 - 2159 H2O 720 H2O H1 1 0.423800 1.0079 0 - 2160 H2O 720 H2O H2 1 0.423800 1.0079 0 - 2161 H2O 721 H2O O1 2 -0.847600 15.9994 0 - 2162 H2O 721 H2O H1 1 0.423800 1.0079 0 - 2163 H2O 721 H2O H2 1 0.423800 1.0079 0 - 2164 H2O 722 H2O O1 2 -0.847600 15.9994 0 - 2165 H2O 722 H2O H1 1 0.423800 1.0079 0 - 2166 H2O 722 H2O H2 1 0.423800 1.0079 0 - 2167 H2O 723 H2O O1 2 -0.847600 15.9994 0 - 2168 H2O 723 H2O H1 1 0.423800 1.0079 0 - 2169 H2O 723 H2O H2 1 0.423800 1.0079 0 - 2170 H2O 724 H2O O1 2 -0.847600 15.9994 0 - 2171 H2O 724 H2O H1 1 0.423800 1.0079 0 - 2172 H2O 724 H2O H2 1 0.423800 1.0079 0 - 2173 H2O 725 H2O O1 2 -0.847600 15.9994 0 - 2174 H2O 725 H2O H1 1 0.423800 1.0079 0 - 2175 H2O 725 H2O H2 1 0.423800 1.0079 0 - 2176 H2O 726 H2O O1 2 -0.847600 15.9994 0 - 2177 H2O 726 H2O H1 1 0.423800 1.0079 0 - 2178 H2O 726 H2O H2 1 0.423800 1.0079 0 - 2179 H2O 727 H2O O1 2 -0.847600 15.9994 0 - 2180 H2O 727 H2O H1 1 0.423800 1.0079 0 - 2181 H2O 727 H2O H2 1 0.423800 1.0079 0 - 2182 H2O 728 H2O O1 2 -0.847600 15.9994 0 - 2183 H2O 728 H2O H1 1 0.423800 1.0079 0 - 2184 H2O 728 H2O H2 1 0.423800 1.0079 0 - 2185 H2O 729 H2O O1 2 -0.847600 15.9994 0 - 2186 H2O 729 H2O H1 1 0.423800 1.0079 0 - 2187 H2O 729 H2O H2 1 0.423800 1.0079 0 - 2188 H2O 730 H2O O1 2 -0.847600 15.9994 0 - 2189 H2O 730 H2O H1 1 0.423800 1.0079 0 - 2190 H2O 730 H2O H2 1 0.423800 1.0079 0 - 2191 H2O 731 H2O O1 2 -0.847600 15.9994 0 - 2192 H2O 731 H2O H1 1 0.423800 1.0079 0 - 2193 H2O 731 H2O H2 1 0.423800 1.0079 0 - 2194 H2O 732 H2O O1 2 -0.847600 15.9994 0 - 2195 H2O 732 H2O H1 1 0.423800 1.0079 0 - 2196 H2O 732 H2O H2 1 0.423800 1.0079 0 - 2197 H2O 733 H2O O1 2 -0.847600 15.9994 0 - 2198 H2O 733 H2O H1 1 0.423800 1.0079 0 - 2199 H2O 733 H2O H2 1 0.423800 1.0079 0 - 2200 H2O 734 H2O O1 2 -0.847600 15.9994 0 - 2201 H2O 734 H2O H1 1 0.423800 1.0079 0 - 2202 H2O 734 H2O H2 1 0.423800 1.0079 0 - 2203 H2O 735 H2O O1 2 -0.847600 15.9994 0 - 2204 H2O 735 H2O H1 1 0.423800 1.0079 0 - 2205 H2O 735 H2O H2 1 0.423800 1.0079 0 - 2206 H2O 736 H2O O1 2 -0.847600 15.9994 0 - 2207 H2O 736 H2O H1 1 0.423800 1.0079 0 - 2208 H2O 736 H2O H2 1 0.423800 1.0079 0 - 2209 H2O 737 H2O O1 2 -0.847600 15.9994 0 - 2210 H2O 737 H2O H1 1 0.423800 1.0079 0 - 2211 H2O 737 H2O H2 1 0.423800 1.0079 0 - 2212 H2O 738 H2O O1 2 -0.847600 15.9994 0 - 2213 H2O 738 H2O H1 1 0.423800 1.0079 0 - 2214 H2O 738 H2O H2 1 0.423800 1.0079 0 - 2215 H2O 739 H2O O1 2 -0.847600 15.9994 0 - 2216 H2O 739 H2O H1 1 0.423800 1.0079 0 - 2217 H2O 739 H2O H2 1 0.423800 1.0079 0 - 2218 H2O 740 H2O O1 2 -0.847600 15.9994 0 - 2219 H2O 740 H2O H1 1 0.423800 1.0079 0 - 2220 H2O 740 H2O H2 1 0.423800 1.0079 0 - 2221 H2O 741 H2O O1 2 -0.847600 15.9994 0 - 2222 H2O 741 H2O H1 1 0.423800 1.0079 0 - 2223 H2O 741 H2O H2 1 0.423800 1.0079 0 - 2224 H2O 742 H2O O1 2 -0.847600 15.9994 0 - 2225 H2O 742 H2O H1 1 0.423800 1.0079 0 - 2226 H2O 742 H2O H2 1 0.423800 1.0079 0 - 2227 H2O 743 H2O O1 2 -0.847600 15.9994 0 - 2228 H2O 743 H2O H1 1 0.423800 1.0079 0 - 2229 H2O 743 H2O H2 1 0.423800 1.0079 0 - 2230 H2O 744 H2O O1 2 -0.847600 15.9994 0 - 2231 H2O 744 H2O H1 1 0.423800 1.0079 0 - 2232 H2O 744 H2O H2 1 0.423800 1.0079 0 - 2233 H2O 745 H2O O1 2 -0.847600 15.9994 0 - 2234 H2O 745 H2O H1 1 0.423800 1.0079 0 - 2235 H2O 745 H2O H2 1 0.423800 1.0079 0 - 2236 H2O 746 H2O O1 2 -0.847600 15.9994 0 - 2237 H2O 746 H2O H1 1 0.423800 1.0079 0 - 2238 H2O 746 H2O H2 1 0.423800 1.0079 0 - 2239 H2O 747 H2O O1 2 -0.847600 15.9994 0 - 2240 H2O 747 H2O H1 1 0.423800 1.0079 0 - 2241 H2O 747 H2O H2 1 0.423800 1.0079 0 - 2242 H2O 748 H2O O1 2 -0.847600 15.9994 0 - 2243 H2O 748 H2O H1 1 0.423800 1.0079 0 - 2244 H2O 748 H2O H2 1 0.423800 1.0079 0 - 2245 H2O 749 H2O O1 2 -0.847600 15.9994 0 - 2246 H2O 749 H2O H1 1 0.423800 1.0079 0 - 2247 H2O 749 H2O H2 1 0.423800 1.0079 0 - 2248 H2O 750 H2O O1 2 -0.847600 15.9994 0 - 2249 H2O 750 H2O H1 1 0.423800 1.0079 0 - 2250 H2O 750 H2O H2 1 0.423800 1.0079 0 - 2251 H2O 751 H2O O1 2 -0.847600 15.9994 0 - 2252 H2O 751 H2O H1 1 0.423800 1.0079 0 - 2253 H2O 751 H2O H2 1 0.423800 1.0079 0 - 2254 H2O 752 H2O O1 2 -0.847600 15.9994 0 - 2255 H2O 752 H2O H1 1 0.423800 1.0079 0 - 2256 H2O 752 H2O H2 1 0.423800 1.0079 0 - 2257 H2O 753 H2O O1 2 -0.847600 15.9994 0 - 2258 H2O 753 H2O H1 1 0.423800 1.0079 0 - 2259 H2O 753 H2O H2 1 0.423800 1.0079 0 - 2260 H2O 754 H2O O1 2 -0.847600 15.9994 0 - 2261 H2O 754 H2O H1 1 0.423800 1.0079 0 - 2262 H2O 754 H2O H2 1 0.423800 1.0079 0 - 2263 H2O 755 H2O O1 2 -0.847600 15.9994 0 - 2264 H2O 755 H2O H1 1 0.423800 1.0079 0 - 2265 H2O 755 H2O H2 1 0.423800 1.0079 0 - 2266 H2O 756 H2O O1 2 -0.847600 15.9994 0 - 2267 H2O 756 H2O H1 1 0.423800 1.0079 0 - 2268 H2O 756 H2O H2 1 0.423800 1.0079 0 - 2269 H2O 757 H2O O1 2 -0.847600 15.9994 0 - 2270 H2O 757 H2O H1 1 0.423800 1.0079 0 - 2271 H2O 757 H2O H2 1 0.423800 1.0079 0 - 2272 H2O 758 H2O O1 2 -0.847600 15.9994 0 - 2273 H2O 758 H2O H1 1 0.423800 1.0079 0 - 2274 H2O 758 H2O H2 1 0.423800 1.0079 0 - 2275 H2O 759 H2O O1 2 -0.847600 15.9994 0 - 2276 H2O 759 H2O H1 1 0.423800 1.0079 0 - 2277 H2O 759 H2O H2 1 0.423800 1.0079 0 - 2278 H2O 760 H2O O1 2 -0.847600 15.9994 0 - 2279 H2O 760 H2O H1 1 0.423800 1.0079 0 - 2280 H2O 760 H2O H2 1 0.423800 1.0079 0 - 2281 H2O 761 H2O O1 2 -0.847600 15.9994 0 - 2282 H2O 761 H2O H1 1 0.423800 1.0079 0 - 2283 H2O 761 H2O H2 1 0.423800 1.0079 0 - 2284 H2O 762 H2O O1 2 -0.847600 15.9994 0 - 2285 H2O 762 H2O H1 1 0.423800 1.0079 0 - 2286 H2O 762 H2O H2 1 0.423800 1.0079 0 - 2287 H2O 763 H2O O1 2 -0.847600 15.9994 0 - 2288 H2O 763 H2O H1 1 0.423800 1.0079 0 - 2289 H2O 763 H2O H2 1 0.423800 1.0079 0 - 2290 H2O 764 H2O O1 2 -0.847600 15.9994 0 - 2291 H2O 764 H2O H1 1 0.423800 1.0079 0 - 2292 H2O 764 H2O H2 1 0.423800 1.0079 0 - 2293 H2O 765 H2O O1 2 -0.847600 15.9994 0 - 2294 H2O 765 H2O H1 1 0.423800 1.0079 0 - 2295 H2O 765 H2O H2 1 0.423800 1.0079 0 - 2296 H2O 766 H2O O1 2 -0.847600 15.9994 0 - 2297 H2O 766 H2O H1 1 0.423800 1.0079 0 - 2298 H2O 766 H2O H2 1 0.423800 1.0079 0 - 2299 H2O 767 H2O O1 2 -0.847600 15.9994 0 - 2300 H2O 767 H2O H1 1 0.423800 1.0079 0 - 2301 H2O 767 H2O H2 1 0.423800 1.0079 0 - 2302 H2O 768 H2O O1 2 -0.847600 15.9994 0 - 2303 H2O 768 H2O H1 1 0.423800 1.0079 0 - 2304 H2O 768 H2O H2 1 0.423800 1.0079 0 - 2305 H2O 769 H2O O1 2 -0.847600 15.9994 0 - 2306 H2O 769 H2O H1 1 0.423800 1.0079 0 - 2307 H2O 769 H2O H2 1 0.423800 1.0079 0 - 2308 H2O 770 H2O O1 2 -0.847600 15.9994 0 - 2309 H2O 770 H2O H1 1 0.423800 1.0079 0 - 2310 H2O 770 H2O H2 1 0.423800 1.0079 0 - 2311 H2O 771 H2O O1 2 -0.847600 15.9994 0 - 2312 H2O 771 H2O H1 1 0.423800 1.0079 0 - 2313 H2O 771 H2O H2 1 0.423800 1.0079 0 - 2314 H2O 772 H2O O1 2 -0.847600 15.9994 0 - 2315 H2O 772 H2O H1 1 0.423800 1.0079 0 - 2316 H2O 772 H2O H2 1 0.423800 1.0079 0 - 2317 H2O 773 H2O O1 2 -0.847600 15.9994 0 - 2318 H2O 773 H2O H1 1 0.423800 1.0079 0 - 2319 H2O 773 H2O H2 1 0.423800 1.0079 0 - 2320 H2O 774 H2O O1 2 -0.847600 15.9994 0 - 2321 H2O 774 H2O H1 1 0.423800 1.0079 0 - 2322 H2O 774 H2O H2 1 0.423800 1.0079 0 - 2323 H2O 775 H2O O1 2 -0.847600 15.9994 0 - 2324 H2O 775 H2O H1 1 0.423800 1.0079 0 - 2325 H2O 775 H2O H2 1 0.423800 1.0079 0 - 2326 H2O 776 H2O O1 2 -0.847600 15.9994 0 - 2327 H2O 776 H2O H1 1 0.423800 1.0079 0 - 2328 H2O 776 H2O H2 1 0.423800 1.0079 0 - 2329 H2O 777 H2O O1 2 -0.847600 15.9994 0 - 2330 H2O 777 H2O H1 1 0.423800 1.0079 0 - 2331 H2O 777 H2O H2 1 0.423800 1.0079 0 - 2332 H2O 778 H2O O1 2 -0.847600 15.9994 0 - 2333 H2O 778 H2O H1 1 0.423800 1.0079 0 - 2334 H2O 778 H2O H2 1 0.423800 1.0079 0 - 2335 H2O 779 H2O O1 2 -0.847600 15.9994 0 - 2336 H2O 779 H2O H1 1 0.423800 1.0079 0 - 2337 H2O 779 H2O H2 1 0.423800 1.0079 0 - 2338 H2O 780 H2O O1 2 -0.847600 15.9994 0 - 2339 H2O 780 H2O H1 1 0.423800 1.0079 0 - 2340 H2O 780 H2O H2 1 0.423800 1.0079 0 - 2341 H2O 781 H2O O1 2 -0.847600 15.9994 0 - 2342 H2O 781 H2O H1 1 0.423800 1.0079 0 - 2343 H2O 781 H2O H2 1 0.423800 1.0079 0 - 2344 H2O 782 H2O O1 2 -0.847600 15.9994 0 - 2345 H2O 782 H2O H1 1 0.423800 1.0079 0 - 2346 H2O 782 H2O H2 1 0.423800 1.0079 0 - 2347 H2O 783 H2O O1 2 -0.847600 15.9994 0 - 2348 H2O 783 H2O H1 1 0.423800 1.0079 0 - 2349 H2O 783 H2O H2 1 0.423800 1.0079 0 - 2350 H2O 784 H2O O1 2 -0.847600 15.9994 0 - 2351 H2O 784 H2O H1 1 0.423800 1.0079 0 - 2352 H2O 784 H2O H2 1 0.423800 1.0079 0 - 2353 H2O 785 H2O O1 2 -0.847600 15.9994 0 - 2354 H2O 785 H2O H1 1 0.423800 1.0079 0 - 2355 H2O 785 H2O H2 1 0.423800 1.0079 0 - 2356 H2O 786 H2O O1 2 -0.847600 15.9994 0 - 2357 H2O 786 H2O H1 1 0.423800 1.0079 0 - 2358 H2O 786 H2O H2 1 0.423800 1.0079 0 - 2359 H2O 787 H2O O1 2 -0.847600 15.9994 0 - 2360 H2O 787 H2O H1 1 0.423800 1.0079 0 - 2361 H2O 787 H2O H2 1 0.423800 1.0079 0 - 2362 H2O 788 H2O O1 2 -0.847600 15.9994 0 - 2363 H2O 788 H2O H1 1 0.423800 1.0079 0 - 2364 H2O 788 H2O H2 1 0.423800 1.0079 0 - 2365 H2O 789 H2O O1 2 -0.847600 15.9994 0 - 2366 H2O 789 H2O H1 1 0.423800 1.0079 0 - 2367 H2O 789 H2O H2 1 0.423800 1.0079 0 - 2368 H2O 790 H2O O1 2 -0.847600 15.9994 0 - 2369 H2O 790 H2O H1 1 0.423800 1.0079 0 - 2370 H2O 790 H2O H2 1 0.423800 1.0079 0 - 2371 H2O 791 H2O O1 2 -0.847600 15.9994 0 - 2372 H2O 791 H2O H1 1 0.423800 1.0079 0 - 2373 H2O 791 H2O H2 1 0.423800 1.0079 0 - 2374 H2O 792 H2O O1 2 -0.847600 15.9994 0 - 2375 H2O 792 H2O H1 1 0.423800 1.0079 0 - 2376 H2O 792 H2O H2 1 0.423800 1.0079 0 - 2377 H2O 793 H2O O1 2 -0.847600 15.9994 0 - 2378 H2O 793 H2O H1 1 0.423800 1.0079 0 - 2379 H2O 793 H2O H2 1 0.423800 1.0079 0 - 2380 H2O 794 H2O O1 2 -0.847600 15.9994 0 - 2381 H2O 794 H2O H1 1 0.423800 1.0079 0 - 2382 H2O 794 H2O H2 1 0.423800 1.0079 0 - 2383 H2O 795 H2O O1 2 -0.847600 15.9994 0 - 2384 H2O 795 H2O H1 1 0.423800 1.0079 0 - 2385 H2O 795 H2O H2 1 0.423800 1.0079 0 - 2386 H2O 796 H2O O1 2 -0.847600 15.9994 0 - 2387 H2O 796 H2O H1 1 0.423800 1.0079 0 - 2388 H2O 796 H2O H2 1 0.423800 1.0079 0 - 2389 H2O 797 H2O O1 2 -0.847600 15.9994 0 - 2390 H2O 797 H2O H1 1 0.423800 1.0079 0 - 2391 H2O 797 H2O H2 1 0.423800 1.0079 0 - 2392 H2O 798 H2O O1 2 -0.847600 15.9994 0 - 2393 H2O 798 H2O H1 1 0.423800 1.0079 0 - 2394 H2O 798 H2O H2 1 0.423800 1.0079 0 - 2395 H2O 799 H2O O1 2 -0.847600 15.9994 0 - 2396 H2O 799 H2O H1 1 0.423800 1.0079 0 - 2397 H2O 799 H2O H2 1 0.423800 1.0079 0 - 2398 H2O 800 H2O O1 2 -0.847600 15.9994 0 - 2399 H2O 800 H2O H1 1 0.423800 1.0079 0 - 2400 H2O 800 H2O H2 1 0.423800 1.0079 0 - 2401 H2O 801 H2O O1 2 -0.847600 15.9994 0 - 2402 H2O 801 H2O H1 1 0.423800 1.0079 0 - 2403 H2O 801 H2O H2 1 0.423800 1.0079 0 - 2404 H2O 802 H2O O1 2 -0.847600 15.9994 0 - 2405 H2O 802 H2O H1 1 0.423800 1.0079 0 - 2406 H2O 802 H2O H2 1 0.423800 1.0079 0 - 2407 H2O 803 H2O O1 2 -0.847600 15.9994 0 - 2408 H2O 803 H2O H1 1 0.423800 1.0079 0 - 2409 H2O 803 H2O H2 1 0.423800 1.0079 0 - 2410 H2O 804 H2O O1 2 -0.847600 15.9994 0 - 2411 H2O 804 H2O H1 1 0.423800 1.0079 0 - 2412 H2O 804 H2O H2 1 0.423800 1.0079 0 - 2413 H2O 805 H2O O1 2 -0.847600 15.9994 0 - 2414 H2O 805 H2O H1 1 0.423800 1.0079 0 - 2415 H2O 805 H2O H2 1 0.423800 1.0079 0 - 2416 H2O 806 H2O O1 2 -0.847600 15.9994 0 - 2417 H2O 806 H2O H1 1 0.423800 1.0079 0 - 2418 H2O 806 H2O H2 1 0.423800 1.0079 0 - 2419 H2O 807 H2O O1 2 -0.847600 15.9994 0 - 2420 H2O 807 H2O H1 1 0.423800 1.0079 0 - 2421 H2O 807 H2O H2 1 0.423800 1.0079 0 - 2422 H2O 808 H2O O1 2 -0.847600 15.9994 0 - 2423 H2O 808 H2O H1 1 0.423800 1.0079 0 - 2424 H2O 808 H2O H2 1 0.423800 1.0079 0 - 2425 H2O 809 H2O O1 2 -0.847600 15.9994 0 - 2426 H2O 809 H2O H1 1 0.423800 1.0079 0 - 2427 H2O 809 H2O H2 1 0.423800 1.0079 0 - 2428 H2O 810 H2O O1 2 -0.847600 15.9994 0 - 2429 H2O 810 H2O H1 1 0.423800 1.0079 0 - 2430 H2O 810 H2O H2 1 0.423800 1.0079 0 - 2431 H2O 811 H2O O1 2 -0.847600 15.9994 0 - 2432 H2O 811 H2O H1 1 0.423800 1.0079 0 - 2433 H2O 811 H2O H2 1 0.423800 1.0079 0 - 2434 H2O 812 H2O O1 2 -0.847600 15.9994 0 - 2435 H2O 812 H2O H1 1 0.423800 1.0079 0 - 2436 H2O 812 H2O H2 1 0.423800 1.0079 0 - 2437 H2O 813 H2O O1 2 -0.847600 15.9994 0 - 2438 H2O 813 H2O H1 1 0.423800 1.0079 0 - 2439 H2O 813 H2O H2 1 0.423800 1.0079 0 - 2440 H2O 814 H2O O1 2 -0.847600 15.9994 0 - 2441 H2O 814 H2O H1 1 0.423800 1.0079 0 - 2442 H2O 814 H2O H2 1 0.423800 1.0079 0 - 2443 H2O 815 H2O O1 2 -0.847600 15.9994 0 - 2444 H2O 815 H2O H1 1 0.423800 1.0079 0 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1.0079 0 + 2413 H2O 805 H2O O1 B -0.847600 15.9994 0 + 2414 H2O 805 H2O H1 A 0.423800 1.0079 0 + 2415 H2O 805 H2O H2 A 0.423800 1.0079 0 + 2416 H2O 806 H2O O1 B -0.847600 15.9994 0 + 2417 H2O 806 H2O H1 A 0.423800 1.0079 0 + 2418 H2O 806 H2O H2 A 0.423800 1.0079 0 + 2419 H2O 807 H2O O1 B -0.847600 15.9994 0 + 2420 H2O 807 H2O H1 A 0.423800 1.0079 0 + 2421 H2O 807 H2O H2 A 0.423800 1.0079 0 + 2422 H2O 808 H2O O1 B -0.847600 15.9994 0 + 2423 H2O 808 H2O H1 A 0.423800 1.0079 0 + 2424 H2O 808 H2O H2 A 0.423800 1.0079 0 + 2425 H2O 809 H2O O1 B -0.847600 15.9994 0 + 2426 H2O 809 H2O H1 A 0.423800 1.0079 0 + 2427 H2O 809 H2O H2 A 0.423800 1.0079 0 + 2428 H2O 810 H2O O1 B -0.847600 15.9994 0 + 2429 H2O 810 H2O H1 A 0.423800 1.0079 0 + 2430 H2O 810 H2O H2 A 0.423800 1.0079 0 + 2431 H2O 811 H2O O1 B -0.847600 15.9994 0 + 2432 H2O 811 H2O H1 A 0.423800 1.0079 0 + 2433 H2O 811 H2O H2 A 0.423800 1.0079 0 + 2434 H2O 812 H2O O1 B -0.847600 15.9994 0 + 2435 H2O 812 H2O H1 A 0.423800 1.0079 0 + 2436 H2O 812 H2O H2 A 0.423800 1.0079 0 + 2437 H2O 813 H2O O1 B -0.847600 15.9994 0 + 2438 H2O 813 H2O H1 A 0.423800 1.0079 0 + 2439 H2O 813 H2O H2 A 0.423800 1.0079 0 + 2440 H2O 814 H2O O1 B -0.847600 15.9994 0 + 2441 H2O 814 H2O H1 A 0.423800 1.0079 0 + 2442 H2O 814 H2O H2 A 0.423800 1.0079 0 + 2443 H2O 815 H2O O1 B -0.847600 15.9994 0 + 2444 H2O 815 H2O H1 A 0.423800 1.0079 0 + 2445 H2O 815 H2O H2 A 0.423800 1.0079 0 + 2446 H2O 816 H2O O1 B -0.847600 15.9994 0 + 2447 H2O 816 H2O H1 A 0.423800 1.0079 0 + 2448 H2O 816 H2O H2 A 0.423800 1.0079 0 + 2449 H2O 817 H2O O1 B -0.847600 15.9994 0 + 2450 H2O 817 H2O H1 A 0.423800 1.0079 0 + 2451 H2O 817 H2O H2 A 0.423800 1.0079 0 + 2452 H2O 818 H2O O1 B -0.847600 15.9994 0 + 2453 H2O 818 H2O H1 A 0.423800 1.0079 0 + 2454 H2O 818 H2O H2 A 0.423800 1.0079 0 + 2455 H2O 819 H2O O1 B -0.847600 15.9994 0 + 2456 H2O 819 H2O H1 A 0.423800 1.0079 0 + 2457 H2O 819 H2O H2 A 0.423800 1.0079 0 + 2458 H2O 820 H2O O1 B -0.847600 15.9994 0 + 2459 H2O 820 H2O H1 A 0.423800 1.0079 0 + 2460 H2O 820 H2O H2 A 0.423800 1.0079 0 + 2461 H2O 821 H2O O1 B -0.847600 15.9994 0 + 2462 H2O 821 H2O H1 A 0.423800 1.0079 0 + 2463 H2O 821 H2O H2 A 0.423800 1.0079 0 + 2464 H2O 822 H2O O1 B -0.847600 15.9994 0 + 2465 H2O 822 H2O H1 A 0.423800 1.0079 0 + 2466 H2O 822 H2O H2 A 0.423800 1.0079 0 + 2467 H2O 823 H2O O1 B -0.847600 15.9994 0 + 2468 H2O 823 H2O H1 A 0.423800 1.0079 0 + 2469 H2O 823 H2O H2 A 0.423800 1.0079 0 + 2470 H2O 824 H2O O1 B -0.847600 15.9994 0 + 2471 H2O 824 H2O H1 A 0.423800 1.0079 0 + 2472 H2O 824 H2O H2 A 0.423800 1.0079 0 + 2473 H2O 825 H2O O1 B -0.847600 15.9994 0 + 2474 H2O 825 H2O H1 A 0.423800 1.0079 0 + 2475 H2O 825 H2O H2 A 0.423800 1.0079 0 + 2476 H2O 826 H2O O1 B -0.847600 15.9994 0 + 2477 H2O 826 H2O H1 A 0.423800 1.0079 0 + 2478 H2O 826 H2O H2 A 0.423800 1.0079 0 + 2479 H2O 827 H2O O1 B -0.847600 15.9994 0 + 2480 H2O 827 H2O H1 A 0.423800 1.0079 0 + 2481 H2O 827 H2O H2 A 0.423800 1.0079 0 + 2482 H2O 828 H2O O1 B -0.847600 15.9994 0 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O1 B -0.847600 15.9994 0 + 2507 H2O 836 H2O H1 A 0.423800 1.0079 0 + 2508 H2O 836 H2O H2 A 0.423800 1.0079 0 + 2509 H2O 837 H2O O1 B -0.847600 15.9994 0 + 2510 H2O 837 H2O H1 A 0.423800 1.0079 0 + 2511 H2O 837 H2O H2 A 0.423800 1.0079 0 + 2512 H2O 838 H2O O1 B -0.847600 15.9994 0 + 2513 H2O 838 H2O H1 A 0.423800 1.0079 0 + 2514 H2O 838 H2O H2 A 0.423800 1.0079 0 + 2515 H2O 839 H2O O1 B -0.847600 15.9994 0 + 2516 H2O 839 H2O H1 A 0.423800 1.0079 0 + 2517 H2O 839 H2O H2 A 0.423800 1.0079 0 + 2518 H2O 840 H2O O1 B -0.847600 15.9994 0 + 2519 H2O 840 H2O H1 A 0.423800 1.0079 0 + 2520 H2O 840 H2O H2 A 0.423800 1.0079 0 + 2521 H2O 841 H2O O1 B -0.847600 15.9994 0 + 2522 H2O 841 H2O H1 A 0.423800 1.0079 0 + 2523 H2O 841 H2O H2 A 0.423800 1.0079 0 + 2524 H2O 842 H2O O1 B -0.847600 15.9994 0 + 2525 H2O 842 H2O H1 A 0.423800 1.0079 0 + 2526 H2O 842 H2O H2 A 0.423800 1.0079 0 + 2527 H2O 843 H2O O1 B -0.847600 15.9994 0 + 2528 H2O 843 H2O H1 A 0.423800 1.0079 0 + 2529 H2O 843 H2O H2 A 0.423800 1.0079 0 + 2530 H2O 844 H2O O1 B -0.847600 15.9994 0 + 2531 H2O 844 H2O H1 A 0.423800 1.0079 0 + 2532 H2O 844 H2O H2 A 0.423800 1.0079 0 + 2533 H2O 845 H2O O1 B -0.847600 15.9994 0 + 2534 H2O 845 H2O H1 A 0.423800 1.0079 0 + 2535 H2O 845 H2O H2 A 0.423800 1.0079 0 + 2536 H2O 846 H2O O1 B -0.847600 15.9994 0 + 2537 H2O 846 H2O H1 A 0.423800 1.0079 0 + 2538 H2O 846 H2O H2 A 0.423800 1.0079 0 + 2539 H2O 847 H2O O1 B -0.847600 15.9994 0 + 2540 H2O 847 H2O H1 A 0.423800 1.0079 0 + 2541 H2O 847 H2O H2 A 0.423800 1.0079 0 + 2542 H2O 848 H2O O1 B -0.847600 15.9994 0 + 2543 H2O 848 H2O H1 A 0.423800 1.0079 0 + 2544 H2O 848 H2O H2 A 0.423800 1.0079 0 + 2545 H2O 849 H2O O1 B -0.847600 15.9994 0 + 2546 H2O 849 H2O H1 A 0.423800 1.0079 0 + 2547 H2O 849 H2O H2 A 0.423800 1.0079 0 + 2548 H2O 850 H2O O1 B -0.847600 15.9994 0 + 2549 H2O 850 H2O H1 A 0.423800 1.0079 0 + 2550 H2O 850 H2O H2 A 0.423800 1.0079 0 + 2551 H2O 851 H2O O1 B -0.847600 15.9994 0 + 2552 H2O 851 H2O H1 A 0.423800 1.0079 0 + 2553 H2O 851 H2O H2 A 0.423800 1.0079 0 + 2554 H2O 852 H2O O1 B -0.847600 15.9994 0 + 2555 H2O 852 H2O H1 A 0.423800 1.0079 0 + 2556 H2O 852 H2O H2 A 0.423800 1.0079 0 + 2557 H2O 853 H2O O1 B -0.847600 15.9994 0 + 2558 H2O 853 H2O H1 A 0.423800 1.0079 0 + 2559 H2O 853 H2O H2 A 0.423800 1.0079 0 + 2560 H2O 854 H2O O1 B -0.847600 15.9994 0 + 2561 H2O 854 H2O H1 A 0.423800 1.0079 0 + 2562 H2O 854 H2O H2 A 0.423800 1.0079 0 + 2563 H2O 855 H2O O1 B -0.847600 15.9994 0 + 2564 H2O 855 H2O H1 A 0.423800 1.0079 0 + 2565 H2O 855 H2O H2 A 0.423800 1.0079 0 + 2566 H2O 856 H2O O1 B -0.847600 15.9994 0 + 2567 H2O 856 H2O H1 A 0.423800 1.0079 0 + 2568 H2O 856 H2O H2 A 0.423800 1.0079 0 + 2569 H2O 857 H2O O1 B -0.847600 15.9994 0 + 2570 H2O 857 H2O H1 A 0.423800 1.0079 0 + 2571 H2O 857 H2O H2 A 0.423800 1.0079 0 1714 !NBOND: bonds 1 3 1 2 4 6 4 5 diff --git a/simulations/Psat_SPCE_298K/gomc/equilb_liq_box/NPT/Psat_NPT_equilb.sh b/simulations/Psat_SPCE_298K/gomc/equilb_liq_box/NPT/Psat_NPT_equilb.sh deleted file mode 100644 index f61da6c..0000000 --- a/simulations/Psat_SPCE_298K/gomc/equilb_liq_box/NPT/Psat_NPT_equilb.sh +++ /dev/null @@ -1,23 +0,0 @@ -#!/bin/bash - -#SBATCH --job-name Psat_NPT_equilb -#SBATCH -q primary -#SBATCH -N 1 -#SBATCH -n 16 -#SBATCH --mem=16G -#SBATCH --constraint=intel -#SBATCH --mail-type=ALL -#SBATCH --mail-user=bc118@wayne.edu -#SBATCH -o output_%j.out -#SBATCH -e errors_%j.err -#SBATCH -t 336:0:0 - -echo "Running on host" hostname -echo "Time is" date -module swap gnu7/7.3.0 intel/2019 - -echo "Time is" date - -cd /wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/Psat_SPCE_298K/gomc/equilb_liq_box/NPT - -/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_NPT +p16 liquid_water_NPT.conf > liquid_water_NPT.dat diff --git a/simulations/Psat_SPCE_298K/gomc/equilb_liq_box/NPT/liquid_water_NPT.conf b/simulations/Psat_SPCE_298K/gomc/equilb_liq_box/NPT/liquid_water_NPT.conf index 9e26533..45c23d9 100644 --- a/simulations/Psat_SPCE_298K/gomc/equilb_liq_box/NPT/liquid_water_NPT.conf +++ b/simulations/Psat_SPCE_298K/gomc/equilb_liq_box/NPT/liquid_water_NPT.conf @@ -21,17 +21,17 @@ PRNG RANDOM #################################### ParaTypeCHARMM true -Parameters ../../Generate_liq_vap_boxes/GOMC_water_FF.inp +Parameters ../../build_liq_vap_boxes/GOMC_water_FF.inp #################################### # INPUT PDB FILES #################################### -Coordinates 0 ../../Generate_liq_vap_boxes/Box_0_liq_water_30A_L_cubed_box.pdb +Coordinates 0 ../../build_liq_vap_boxes/Box_0_liq_water_30A_L_cubed_box.pdb #################################### # INPUT PSF FILES #################################### -Structure 0 ../../Generate_liq_vap_boxes/Box_0_liq_water_30A_L_cubed_box.psf +Structure 0 ../../build_liq_vap_boxes/Box_0_liq_water_30A_L_cubed_box.psf diff --git a/simulations/Psat_SPCE_298K/gomc/set1/1r1/Psat_1r1.sh b/simulations/Psat_SPCE_298K/gomc/set1/1r1/Psat_1r1.sh deleted file mode 100644 index 29471b4..0000000 --- a/simulations/Psat_SPCE_298K/gomc/set1/1r1/Psat_1r1.sh +++ /dev/null @@ -1,23 +0,0 @@ -#!/bin/bash - -#SBATCH --job-name Psat_1r1 -#SBATCH -q primary -#SBATCH -N 1 -#SBATCH -n 16 -#SBATCH --mem=16G -#SBATCH --constraint=intel -#SBATCH --mail-type=ALL -#SBATCH --mail-user=bc118@wayne.edu -#SBATCH -o output_%j.out -#SBATCH -e errors_%j.err -#SBATCH -t 336:0:0 - -echo "Running on host" hostname -echo "Time is" date -module swap gnu7/7.3.0 intel/2019 - -echo "Time is" date - -cd /wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/Psat_SPCE_298K/set1/1r1 - -/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GEMC +p16 water_GEMC_NVT_298K.conf > water_GEMC_NVT_298K.dat diff --git a/simulations/Psat_SPCE_298K/gomc/set1/1r1/water_GEMC_NVT_298K.conf b/simulations/Psat_SPCE_298K/gomc/set1/1r1/water_GEMC_NVT_298K.conf index bb4cf65..b25c071 100644 --- a/simulations/Psat_SPCE_298K/gomc/set1/1r1/water_GEMC_NVT_298K.conf +++ b/simulations/Psat_SPCE_298K/gomc/set1/1r1/water_GEMC_NVT_298K.conf @@ -21,18 +21,18 @@ PRNG RANDOM #################################### ParaTypeCHARMM true -Parameters ../../Generate_liq_vap_boxes/GOMC_water_fake_water_FF.inp +Parameters ../../build_liq_vap_boxes/GOMC_water_FF.inp #################################### # INPUT PDB FILES #################################### Coordinates 0 ../../equilb_liq_box/NPT/Output_data_BOX_0_restart.pdb -Coordinates 1 ../../Generate_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.pdb +Coordinates 1 ../../build_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.pdb #################################### # INPUT PSF FILES #################################### Structure 0 ../../equilb_liq_box/NPT/Output_data_merged.psf -Structure 1 ../../Generate_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.psf +Structure 1 ../../build_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.psf diff --git a/simulations/Psat_SPCE_298K/gomc/set1/1r2/Psat_1r2.sh b/simulations/Psat_SPCE_298K/gomc/set1/1r2/Psat_1r2.sh deleted file mode 100644 index ad7824e..0000000 --- a/simulations/Psat_SPCE_298K/gomc/set1/1r2/Psat_1r2.sh +++ /dev/null @@ -1,23 +0,0 @@ -#!/bin/bash - -#SBATCH --job-name Psat_1r2 -#SBATCH -q primary -#SBATCH -N 1 -#SBATCH -n 16 -#SBATCH --mem=16G -#SBATCH --constraint=intel -#SBATCH --mail-type=ALL -#SBATCH --mail-user=bc118@wayne.edu -#SBATCH -o output_%j.out -#SBATCH -e errors_%j.err -#SBATCH -t 336:0:0 - -echo "Running on host" hostname -echo "Time is" date -module swap gnu7/7.3.0 intel/2019 - -echo "Time is" date - -cd /wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/Psat_SPCE_298K/set1/1r2 - -/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GEMC +p16 water_GEMC_NVT_298K.conf > water_GEMC_NVT_298K.dat diff --git a/simulations/Psat_SPCE_298K/gomc/set1/1r2/water_GEMC_NVT_298K.conf b/simulations/Psat_SPCE_298K/gomc/set1/1r2/water_GEMC_NVT_298K.conf index bb4cf65..b25c071 100644 --- a/simulations/Psat_SPCE_298K/gomc/set1/1r2/water_GEMC_NVT_298K.conf +++ b/simulations/Psat_SPCE_298K/gomc/set1/1r2/water_GEMC_NVT_298K.conf @@ -21,18 +21,18 @@ PRNG RANDOM #################################### ParaTypeCHARMM true -Parameters ../../Generate_liq_vap_boxes/GOMC_water_fake_water_FF.inp +Parameters ../../build_liq_vap_boxes/GOMC_water_FF.inp #################################### # INPUT PDB FILES #################################### Coordinates 0 ../../equilb_liq_box/NPT/Output_data_BOX_0_restart.pdb -Coordinates 1 ../../Generate_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.pdb +Coordinates 1 ../../build_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.pdb #################################### # INPUT PSF FILES #################################### Structure 0 ../../equilb_liq_box/NPT/Output_data_merged.psf -Structure 1 ../../Generate_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.psf +Structure 1 ../../build_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.psf diff --git a/simulations/Psat_SPCE_298K/gomc/set1/1r3/Psat_1r3.sh b/simulations/Psat_SPCE_298K/gomc/set1/1r3/Psat_1r3.sh deleted file mode 100644 index 18c40b8..0000000 --- a/simulations/Psat_SPCE_298K/gomc/set1/1r3/Psat_1r3.sh +++ /dev/null @@ -1,23 +0,0 @@ -#!/bin/bash - -#SBATCH --job-name Psat_1r3 -#SBATCH -q primary -#SBATCH -N 1 -#SBATCH -n 16 -#SBATCH --mem=16G -#SBATCH --constraint=intel -#SBATCH --mail-type=ALL -#SBATCH --mail-user=bc118@wayne.edu -#SBATCH -o output_%j.out -#SBATCH -e errors_%j.err -#SBATCH -t 336:0:0 - -echo "Running on host" hostname -echo "Time is" date -module swap gnu7/7.3.0 intel/2019 - -echo "Time is" date - -cd /wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/Psat_SPCE_298K/set1/1r3 - -/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GEMC +p16 water_GEMC_NVT_298K.conf > water_GEMC_NVT_298K.dat diff --git a/simulations/Psat_SPCE_298K/gomc/set1/1r3/water_GEMC_NVT_298K.conf b/simulations/Psat_SPCE_298K/gomc/set1/1r3/water_GEMC_NVT_298K.conf index bb4cf65..b25c071 100644 --- a/simulations/Psat_SPCE_298K/gomc/set1/1r3/water_GEMC_NVT_298K.conf +++ b/simulations/Psat_SPCE_298K/gomc/set1/1r3/water_GEMC_NVT_298K.conf @@ -21,18 +21,18 @@ PRNG RANDOM #################################### ParaTypeCHARMM true -Parameters ../../Generate_liq_vap_boxes/GOMC_water_fake_water_FF.inp +Parameters ../../build_liq_vap_boxes/GOMC_water_FF.inp #################################### # INPUT PDB FILES #################################### Coordinates 0 ../../equilb_liq_box/NPT/Output_data_BOX_0_restart.pdb -Coordinates 1 ../../Generate_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.pdb +Coordinates 1 ../../build_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.pdb #################################### # INPUT PSF FILES #################################### Structure 0 ../../equilb_liq_box/NPT/Output_data_merged.psf -Structure 1 ../../Generate_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.psf +Structure 1 ../../build_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.psf diff --git a/simulations/Psat_SPCE_298K/gomc/set1/1r4/Psat_1r4.sh b/simulations/Psat_SPCE_298K/gomc/set1/1r4/Psat_1r4.sh deleted file mode 100644 index e2de8ab..0000000 --- a/simulations/Psat_SPCE_298K/gomc/set1/1r4/Psat_1r4.sh +++ /dev/null @@ -1,23 +0,0 @@ -#!/bin/bash - -#SBATCH --job-name Psat_1r4 -#SBATCH -q primary -#SBATCH -N 1 -#SBATCH -n 16 -#SBATCH --mem=16G -#SBATCH --constraint=intel -#SBATCH --mail-type=ALL -#SBATCH --mail-user=bc118@wayne.edu -#SBATCH -o output_%j.out -#SBATCH -e errors_%j.err -#SBATCH -t 336:0:0 - -echo "Running on host" hostname -echo "Time is" date -module swap gnu7/7.3.0 intel/2019 - -echo "Time is" date - -cd /wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/Psat_SPCE_298K/set1/1r4 - -/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GEMC +p16 water_GEMC_NVT_298K.conf > water_GEMC_NVT_298K.dat diff --git a/simulations/Psat_SPCE_298K/gomc/set1/1r5/Psat_1r5.sh b/simulations/Psat_SPCE_298K/gomc/set1/1r5/Psat_1r5.sh deleted file mode 100644 index 68d7db3..0000000 --- a/simulations/Psat_SPCE_298K/gomc/set1/1r5/Psat_1r5.sh +++ /dev/null @@ -1,23 +0,0 @@ -#!/bin/bash - -#SBATCH --job-name Psat_1r5 -#SBATCH -q primary -#SBATCH -N 1 -#SBATCH -n 16 -#SBATCH --mem=16G -#SBATCH --constraint=intel -#SBATCH --mail-type=ALL -#SBATCH --mail-user=bc118@wayne.edu -#SBATCH -o output_%j.out -#SBATCH -e errors_%j.err -#SBATCH -t 336:0:0 - -echo "Running on host" hostname -echo "Time is" date -module swap gnu7/7.3.0 intel/2019 - -echo "Time is" date - -cd /wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/Psat_SPCE_298K/set1/1r5 - -/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GEMC +p16 water_GEMC_NVT_298K.conf > water_GEMC_NVT_298K.dat diff --git a/simulations/Psat_SPCE_298K/gomc/set1/1r5/water_GEMC_NVT_298K.conf b/simulations/Psat_SPCE_298K/gomc/set1/1r5/water_GEMC_NVT_298K.conf index bb4cf65..b25c071 100644 --- a/simulations/Psat_SPCE_298K/gomc/set1/1r5/water_GEMC_NVT_298K.conf +++ b/simulations/Psat_SPCE_298K/gomc/set1/1r5/water_GEMC_NVT_298K.conf @@ -21,18 +21,18 @@ PRNG RANDOM #################################### ParaTypeCHARMM true -Parameters ../../Generate_liq_vap_boxes/GOMC_water_fake_water_FF.inp +Parameters ../../build_liq_vap_boxes/GOMC_water_FF.inp #################################### # INPUT PDB FILES #################################### Coordinates 0 ../../equilb_liq_box/NPT/Output_data_BOX_0_restart.pdb -Coordinates 1 ../../Generate_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.pdb +Coordinates 1 ../../build_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.pdb #################################### # INPUT PSF FILES #################################### Structure 0 ../../equilb_liq_box/NPT/Output_data_merged.psf -Structure 1 ../../Generate_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.psf +Structure 1 ../../build_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.psf diff --git a/simulations/README.md b/simulations/README.md new file mode 100644 index 0000000..f35bf38 --- /dev/null +++ b/simulations/README.md @@ -0,0 +1,7 @@ +### The order in which to run the GOMC simulations is as follows: +* bulk-water +* Psat_SPCE_298K +* adsorption +* desorption +* nvt-pore +* Plot_ads_des (This is not a simulation, but plotting for the GOMC and Cassandra adsorption and desorption simulations) diff --git a/simulations/ads_equilb_pdb_psf_FF/gomc/build_Graphene_water.py b/simulations/ads_equilb_pdb_psf_FF/gomc/build_Graphene_water.py deleted file mode 100644 index 7ca5d0f..0000000 --- a/simulations/ads_equilb_pdb_psf_FF/gomc/build_Graphene_water.py +++ /dev/null @@ -1,212 +0,0 @@ -from mbuild.recipes.porebuilder import GraphenePore -import mbuild as mb -from foyer import Forcefield -import mbuild.formats.charmm_writer as mf_charmm - - -Water_res_name = 'H2O' -Fake_water_res_name = 'h2o' - -FF_file = '../../../mosdef_slitpore/ffxml/pore-spce.xml' -FF_file_fake_water = '../../../mosdef_slitpore/ffxml/FF_Fake_SPCE.xml' - - -water = mb.load('O', smiles=True) -water.name = Water_res_name -water.energy_minimize(forcefield = FF_file , steps=10**9) - -Fake_water = mb.load('O', smiles=True) -Fake_water.name = Fake_water_res_name -Fake_water.energy_minimize(forcefield = FF_file_fake_water , steps=10**9) - -FF_Graphene_pore_w_solvent_Dict = {'H2O' : FF_file, 'BOT' : FF_file, 'TOP' : FF_file} -residues_Graphene_pore_w_solvent_List = [ water.name, 'BOT', 'TOP'] -Fix_bonds_angles_residues = [ water.name] - -FF_Graphene_pore_w_solvent_fake_water_Dict = {'H2O' : FF_file, 'h2o' : FF_file_fake_water , 'BOT': FF_file, 'TOP': FF_file} -residues_Graphene_pore_w_solvent_fake_water_List = [Fake_water.name, water.name, 'BOT', 'TOP'] -Fix_bonds_angles_fake_water_residues = [ water.name, Fake_water.name] - -Fix_Graphene_residue = [ 'BOT', 'TOP'] - -#************************************************************** -# builds water reservoir (start) -#************************************************************** - - -box_reservior = mb.fill_box(compound=[water,water],density=600, - box=[6,6,6], compound_ratio=[0.8,0.2]) - -box_reservior_w_fake_water = mb.fill_box(compound=[water,Fake_water],density=600, - box=[6,6,6], compound_ratio=[0.8,0.2]) - -#************************************************************** -# builds water reservoir (end) -#************************************************************** - -#************************************************************** -# builds empty graphene slit for 10 Ang or 1nm (start) -#************************************************************** -# Create graphene system -pore_width_nm = 1.0 -No_sheets = 3 -sheet_spacing = 0.335 -#for GOMC, currently we need to add the space at the end of the simulation -# this does not matter as we are using PBC's -graphene = GraphenePore( - pore_width=sheet_spacing , - pore_length=3.0, - pore_depth=3.0, - n_sheets=No_sheets, - slit_pore_dim=2 -) - - -# Translate to centered at-graphene.center[0], -graphene.center[1],0 and make box larger in z -graphene.translate([ -graphene.center[0], -graphene.center[1],0]) -graphene.periodicity[2] = sheet_spacing*(2*No_sheets-1)+pore_width_nm - - - -mf_charmm.charmm_psf_psb_FF(graphene, - 'pore_3x3x1.0nm_3-layer', - structure_1 = box_reservior, - filename_1 = 'GOMC_reservior_box', - GOMC_FF_filename ="GOMC_pore_water_FF" , - forcefield_files= FF_Graphene_pore_w_solvent_Dict , - residues=residues_Graphene_pore_w_solvent_List , - Bead_to_atom_name_dict = None, - fix_residue = Fix_Graphene_residue, - fix_res_bonds_angles = Fix_bonds_angles_residues, - reorder_res_in_pdb_psf = False - ) - -mf_charmm.charmm_psf_psb_FF(graphene, - 'pore_3x3x1.0nm_3-layer', - structure_1 = box_reservior_w_fake_water, - filename_1 = 'GOMC_reservior_fake_water_box', - GOMC_FF_filename ="GOMC_pore_fake_water_FF" , - forcefield_files= FF_Graphene_pore_w_solvent_fake_water_Dict , - residues=residues_Graphene_pore_w_solvent_fake_water_List , - Bead_to_atom_name_dict = None, - fix_residue = Fix_Graphene_residue, - fix_res_bonds_angles = Fix_bonds_angles_fake_water_residues, - reorder_res_in_pdb_psf = False - ) - - -#************************************************************** -# builds empty graphene slit for 10 Ang or 1nm (end) -#************************************************************** - - -#************************************************************** -# builds empty graphene slit for 16 Ang or 1nm (start) -#************************************************************** -# Create graphene system -pore_width_nm = 1.6 -No_sheets = 3 -sheet_spacing = 0.335 -#for GOMC, currently we need to add the space at the end of the simulation -# this does not matter as we are using PBC's -graphene = GraphenePore( - pore_width=sheet_spacing , - pore_length=3.0, - pore_depth=3.0, - n_sheets=No_sheets, - slit_pore_dim=2 -) - - -# Translate to centered at-graphene.center[0], -graphene.center[1],0 and make box larger in z -graphene.translate([ -graphene.center[0], -graphene.center[1],0]) -graphene.periodicity[2] = sheet_spacing*(2*No_sheets-1)+pore_width_nm - - - -mf_charmm.charmm_psf_psb_FF(graphene, - 'pore_3x3x1.6nm_3-layer', - structure_1 = box_reservior, - filename_1 = 'GOMC_reservior_box', - GOMC_FF_filename ="GOMC_pore_water_FF" , - forcefield_files= FF_Graphene_pore_w_solvent_Dict , - residues=residues_Graphene_pore_w_solvent_List , - Bead_to_atom_name_dict = None, - fix_residue = Fix_Graphene_residue, - fix_res_bonds_angles = Fix_bonds_angles_residues, - reorder_res_in_pdb_psf = False - ) - -mf_charmm.charmm_psf_psb_FF(graphene, - 'pore_3x3x1.6nm_3-layer', - structure_1 = box_reservior_w_fake_water, - filename_1 = 'GOMC_reservior_fake_water_box', - GOMC_FF_filename ="GOMC_pore_fake_water_FF" , - forcefield_files= FF_Graphene_pore_w_solvent_fake_water_Dict , - residues=residues_Graphene_pore_w_solvent_fake_water_List , - Bead_to_atom_name_dict = None, - fix_residue = Fix_Graphene_residue, - fix_res_bonds_angles = Fix_bonds_angles_fake_water_residues, - reorder_res_in_pdb_psf = False - ) - - -#************************************************************** -# builds empty graphene slit for 16 Ang or 1nm (end) -#************************************************************** - - -#************************************************************** -# builds empty graphene slit for 20 Ang or 1nm (start) -#************************************************************** -# Create graphene system -pore_width_nm = 2.0 -No_sheets = 3 -sheet_spacing = 0.335 -#for GOMC, currently we need to add the space at the end of the simulation -# this does not matter as we are using PBC's -graphene = GraphenePore( - pore_width=sheet_spacing , - pore_length=3.0, - pore_depth=3.0, - n_sheets=No_sheets, - slit_pore_dim=2 -) - - -# Translate to centered at-graphene.center[0], -graphene.center[1],0 and make box larger in z -graphene.translate([ -graphene.center[0], -graphene.center[1],0]) -graphene.periodicity[2] = sheet_spacing*(2*No_sheets-1)+pore_width_nm - - - -mf_charmm.charmm_psf_psb_FF(graphene, - 'pore_3x3x2.0nm_3-layer', - structure_1 = box_reservior, - filename_1 = 'GOMC_reservior_box', - GOMC_FF_filename ="GOMC_pore_water_FF" , - forcefield_files= FF_Graphene_pore_w_solvent_Dict , - residues=residues_Graphene_pore_w_solvent_List , - Bead_to_atom_name_dict = None, - fix_residue = Fix_Graphene_residue, - fix_res_bonds_angles = Fix_bonds_angles_residues, - reorder_res_in_pdb_psf = False - ) - -mf_charmm.charmm_psf_psb_FF(graphene, - 'pore_3x3x2.0nm_3-layer', - structure_1 = box_reservior_w_fake_water, - filename_1 = 'GOMC_reservior_fake_water_box', - GOMC_FF_filename ="GOMC_pore_fake_water_FF" , - forcefield_files= FF_Graphene_pore_w_solvent_fake_water_Dict , - residues=residues_Graphene_pore_w_solvent_fake_water_List , - Bead_to_atom_name_dict = None, - fix_residue = Fix_Graphene_residue, - fix_res_bonds_angles = Fix_bonds_angles_fake_water_residues, - reorder_res_in_pdb_psf = False - ) - - -#************************************************************** -# builds empty graphene slit for 20 Ang or 1nm (end) -#************************************************************** diff --git a/simulations/adsorption/3x3x1.0nm_3-layer/gomc/README.md b/simulations/adsorption/3x3x1.0nm_3-layer/gomc/README.md new file mode 100644 index 0000000..499fec2 --- /dev/null +++ b/simulations/adsorption/3x3x1.0nm_3-layer/gomc/README.md @@ -0,0 +1,93 @@ + +## Instructions to build and run the GOMC 3x3x1nm pore adsorption simulations: + +### GOMC adsorption runs in the 3x3x1nm pore +The GOMC simulations in this folder simulate water adsorption into 3x3x1nm pore. The instructions recreating these simulations are provided below. + +Note: These simulations do not require any setup simulations, as the simulations are all started directly. + +### Step 1 : Activate the conda environment +1) Open a terminal window and activate the conda environment +* conda activate slitpore37 + + +### Step 2 : build the coordinate, topology, and force field files (PDB, PSF, and FF (.inp)) +1) Change the terminal window directory to the build_ads_system directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/adsorption/3x3x1.0nm_3-layer/gomc/build_ads_system). Assuming you are in the adsorption gomc directory (mosdef_slitpore/mosdef_slitpore/simulations/adsorption/3x3x1.0nm_3-layer/gomc). +* cd build_ads_system + +2) Run the python build script +* python build_Graphene_water.py + + +### Step 3 : create the GOMC configuration files (.conf, and Slurm submission script (if needed)) +Note: The process is detailed for set 1 below. The process will need to be repeated for set 2, set 3, set 4, and set 5. This is done by replacing set1 with set2, set3, set4, or set5. + +1) Change the terminal window directory to the set1 directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set1). +* cd ../set1 + +2) Obtaining the explicit path, "full_path_to_GOMC_bin_folder". See the Additional Information Section, Process #2 below. +Note: For a laptop or Desktop, Process #1 in the Additional Information Section can also be used so the "full_path_to_GOMC_bin_folder" does not need to be specified, but it will need to be done every time you open a terminal window + +3) Modify the python script for your system (ONLY if are running this on an HPC using Slurm). If you are using HPC submission script other than Slurm, you will need to make your own HPC submission scripts. +Open the python file simbuild.py and change the following variables as needed. +Note: For the examples below, the quotes ("") in the "full_path_to_GOMC_bin_folder" are to specify that it is not the acutal folder name. Therefore, do not enter the quotes ("") in the "full_path_to_GOMC_bin_folder", just enter full_path_to_GOMC_bin_folder +* explicit_path_to_GOMC_executable_string = "full_path_to_GOMC_bin_folder" +* CPU_or_GPU = enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) +* module_load_command_1 = Add your HPC specific module command here as a string or set as None +* module_load_command_2 = Add your HPC specific module command here as a string or set as None +* module_load_command_3 = Add your HPC specific module command here as a string or set as None + +4) Run the python build script simbuild.py +* python simbuild.py + +5) Run the GOMC code. This will need to be done for each set and the 8 runs per set (1r1, 1r2, 1r3, 1r4, 1r5, 1r6, 1r7, and 1r8). +The instructions below only show the process for set1's 1r1 folder or run. These instructions are only for running on a laptop or desktop. If you are submitting these runs to an HPC system, you will need to use the slurm's bash scripts (example: wp_10_1.sh), or use your specific HPC system submission format, and follow the HPC systems specific submission process. +See the Additional Information Section, Process #2, for more information on this GOMC run commands. Also, the HPC submission scripts (example: wp_10_1.sh) will have the suggested amount of cores to utilized (see the +p2 values). +* cd 1r1 +Run the code using the CPU: +* "full_path_to_GOMC_bin_folder"/GOMC_CPU_GCMC +p2 in.conf > out.dat + +Alternatively, Run the code using the CPU/GPU: +* "full_path_to_GOMC_bin_folder"/GOMC_GPU_GCMC +p2 in.conf > out.dat + + + +### Step 4 : Analyze the data +Change the directory to the analysis folder (mosdef_slitpore/mosdef_slitpore/simulations/adsorption/3x3x1.0nm_3-layer/gomc/analysis). This can be done from the last step or from the main folder (mosdef_slitpore/mosdef_slitpore/simulations/adsorption/3x3x1.0nm_3-layer/gomc). The analyis files will be printed in this analysis folder. +Option 1: from the last step +* cd ../../analysis +Option 2: from the main folder +* cd analysis +Run the python analysis script +* python Data_analysis.py + + + + + + + +## Additional Information: + +### Process 1 : Obtaining the a temporary path to the GOMC executable file (only works while you have that terminal window open) +How to set a temporary GOMC file path once GOMC is compiled +Note: the below would need to be completed every time you open a new terminal window. +Open a new terminal window and change the directory to the GOMC directory/folder, then run: +* ls ./bin +Add the GOMC bin folder to our path, so the executable file can be called without the full path infront of it (i.e., by GOMC_CPU_GCMC, GOMC_CPU_GEMC, or GOMC_CPU_NVT) +* LOC_GOMC="$(pwd)/bin" +* export PATH="${LOC_GOMC}:$PATH" + + +### Process 2 : Obtaining the explicit path, "full_path_to_GOMC_bin_folder", to the GOMC executable using the 'pwd' command, assuming you are already in the GOMC directory. +Open a new terminal window and change the directory to the GOMC directory/folder, then run: +* cd bin +The output in the terminal window after running the pwd command is the "full_path_to_GOMC_bin_folder" . +* pwd + +Note: For the examples below, the quotes ("") in the "full_path_to_GOMC_bin_folder" are to specify that this is not the acutal folder name. Therefore, do not enter the quotes ("") in the "full_path_to_GOMC_bin_folder", just enter full_path_to_GOMC_bin_folder +* Example 1: (GCMC executable path with executable file): "full_path_to_GOMC_bin_folder"/GOMC_CPU_GCMC ; + +* Example 2: (general GOMC executable path with executable file) : "full_path_to_GOMC_bin_folder"/GOMC_XXX_aaaa + +* Example 3: (terminal code to run GOMC with Y cores from the directory containing the in.conf file) : "full_path_to_GOMC_bin_folder"/GOMC_XXX_aaaa +pY in.conf > out.dat diff --git a/simulations/adsorption/3x3x1.0nm_3-layer/gomc/build_ads_system/build_Graphene_water.py b/simulations/adsorption/3x3x1.0nm_3-layer/gomc/build_ads_system/build_Graphene_water.py new file mode 100644 index 0000000..1f8b890 --- /dev/null +++ b/simulations/adsorption/3x3x1.0nm_3-layer/gomc/build_ads_system/build_Graphene_water.py @@ -0,0 +1,102 @@ +from mbuild import recipes +import mbuild as mb +from foyer import Forcefield +import sys +sys.path.append('../../../../../') +from mosdef_slitpore.utils import charmm_writer as mf_charmm + +Water_res_name = 'H2O' +Fake_water_res_name = 'h2o' + +FF_file = '../../../../../mosdef_slitpore/ffxml/pore-spce.xml' +FF_file_fake_water = '../../../../../mosdef_slitpore/ffxml/FF_Fake_SPCE.xml' + + +water = mb.load('O', smiles=True) +water.name = Water_res_name +water.energy_minimize(forcefield = FF_file , steps=10**9) + +Fake_water = mb.load('O', smiles=True) +Fake_water.name = Fake_water_res_name +Fake_water.energy_minimize(forcefield = FF_file_fake_water , steps=10**9) + +FF_Graphene_pore_w_solvent_Dict = {'H2O' : FF_file, 'BOT' : FF_file, 'TOP' : FF_file} +residues_Graphene_pore_w_solvent_List = [ water.name, 'BOT', 'TOP'] +Fix_bonds_angles_residues = [ water.name] + +FF_Graphene_pore_w_solvent_fake_water_Dict = {'H2O' : FF_file, 'h2o' : FF_file_fake_water , 'BOT': FF_file, 'TOP': FF_file} +residues_Graphene_pore_w_solvent_fake_water_List = [Fake_water.name, water.name, 'BOT', 'TOP'] +Fix_bonds_angles_fake_water_residues = [ water.name, Fake_water.name] + +Fix_Graphene_residue = [ 'BOT', 'TOP'] + +#************************************************************** +# builds water reservoir (start) +#************************************************************** + + +box_reservior = mb.fill_box(compound=[water,water],density=600, + box=[6,6,6], compound_ratio=[0.8,0.2]) + +box_reservior_w_fake_water = mb.fill_box(compound=[water,Fake_water],density=600, + box=[6,6,6], compound_ratio=[0.8,0.2]) + +#************************************************************** +# builds water reservoir (end) +#************************************************************** + +#************************************************************** +# builds empty graphene slit for 10 Ang or 1nm (start) +#************************************************************** +# Create graphene system +pore_width_nm = 1.0 +No_sheets = 3 +sheet_spacing = 0.335 +#for GOMC, currently we need to add the space at the end of the simulation +# this does not matter as we are using PBC's +graphene =recipes.GraphenePore( + pore_width=sheet_spacing , + pore_length=3.0, + pore_depth=3.0, + n_sheets=No_sheets, + slit_pore_dim=2 +) + + +# Translate to centered at-graphene.center[0], -graphene.center[1],0 and make box larger in z +graphene.translate([ -graphene.center[0], -graphene.center[1],0]) +graphene.periodicity[2] = sheet_spacing*(2*No_sheets-1)+pore_width_nm + + + +mf_charmm.charmm_psf_psb_FF(graphene, + 'pore_3x3x1.0nm_3-layer', + structure_1 = box_reservior, + filename_1 = 'GOMC_reservior_box', + FF_filename ="GOMC_pore_water_FF" , + forcefield_files= FF_Graphene_pore_w_solvent_Dict , + residues=residues_Graphene_pore_w_solvent_List , + Bead_to_atom_name_dict = None, + fix_residue = Fix_Graphene_residue, + fix_res_bonds_angles = Fix_bonds_angles_residues, + reorder_res_in_pdb_psf = False + ) + +mf_charmm.charmm_psf_psb_FF(graphene, + 'pore_3x3x1.0nm_3-layer', + structure_1 = box_reservior_w_fake_water, + filename_1 = 'GOMC_reservior_fake_water_box', + FF_filename ="GOMC_pore_fake_water_FF" , + forcefield_files= FF_Graphene_pore_w_solvent_fake_water_Dict , + residues=residues_Graphene_pore_w_solvent_fake_water_List , + Bead_to_atom_name_dict = None, + fix_residue = Fix_Graphene_residue, + fix_res_bonds_angles = Fix_bonds_angles_fake_water_residues, + reorder_res_in_pdb_psf = False + ) + + +#************************************************************** +# builds empty graphene slit for 10 Ang or 1nm (end) +#************************************************************** + diff --git a/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set1/simbuild.py b/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set1/simbuild.py index f39cbf2..70ef85a 100644 --- a/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set1/simbuild.py +++ b/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set1/simbuild.py @@ -5,7 +5,9 @@ from shutil import copytree import numpy as np - +#********************************************************* +# data to change if needed (start) +#********************************************************* explicit_path_to_GOMC_executable_string = None # if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you @@ -14,6 +16,18 @@ # or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. # explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string + +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string + +#********************************************************* +# data to change if needed (end) +#********************************************************* + def write_slurm(file_out, task, Ncores,server_run_directory, newdir): # SLURM boilerplate @@ -32,10 +46,10 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): Line_13 = 'echo "Running on host" hostname' Line_14 = 'echo "Time is" date' - Line_15 = "module swap gnu7/7.3.0 intel/2019" - goto_directory = os.getcwd() - #goto_directory = server_run_directory + + #goto_directory = os.getcwd() + goto_directory = server_run_directory file = open(file_out, 'w') file.write(intro+"\n\n") @@ -44,26 +58,49 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") file.write(slurm + Line_6 + "\n") - file.write(slurm+Line_7 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + file.write(slurm+Line_8 + "\n") file.write(slurm+Line_10 + "\n") file.write(slurm+Line_11 + "\n") file.write(slurm + Line_12 + "\n\n") file.write(Line_13 + "\n") - file.write(Line_14 + "\n") - file.write(Line_15 + "\n\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 -executable_file = 'GOMC_CPU_GCMC' -if explicit_path_to_GOMC_executable_string != None: +if explicit_path_to_GOMC_executable_string != None : if isinstance(explicit_path_to_GOMC_executable_string,str): if explicit_path_to_GOMC_executable_string[-1] == '/': length = len(explicit_path_to_GOMC_executable_string)-1 @@ -78,13 +115,15 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): else: prog = executable_file -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#server_run_directory = '/wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc_no_fake_water/set1' goto_directory = os.getcwd() server_run_directory = goto_directory + + + + job_name='wp_10' -parameters='../../../../../ads_equilb_pdb_psf_FF/gomc/GOMC_pore_fake_water_FF.inp' +parameters='../../build_ads_system/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_10' RSF='false' #init_pdb=[" ", " "] @@ -117,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../ads_equilb_pdb_psf_FF/gomc/pore_3x3x1.0nm_3-layer.pdb', '../../../../../ads_equilb_pdb_psf_FF/gomc/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../ads_equilb_pdb_psf_FF/gomc/pore_3x3x1.0nm_3-layer.psf', '../../../../../ads_equilb_pdb_psf_FF/gomc/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_ads_system/pore_3x3x1.0nm_3-layer.pdb', '../../build_ads_system/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_ads_system/pore_3x3x1.0nm_3-layer.psf', '../../build_ads_system/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../NVT/3x3x1.6nm_3-layer/gomc/NVT_build/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf', '../../../../..//NVT/3x3x1.6nm_3-layer/gomc/NVT_build/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../NVT/3x3x1.0nm_3-layer/Output_data_BOX_0_restart.pdb', '../../NVT/3x3x1.0nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../NVT/3x3x1.0nm_3-layer/Output_data_merged.psf', '../../NVT/3x3x1.0nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') diff --git a/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set2/simbuild.py b/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set2/simbuild.py index 5d3988b..70ef85a 100644 --- a/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set2/simbuild.py +++ b/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set2/simbuild.py @@ -5,58 +5,125 @@ from shutil import copytree import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - NCPU = Ncores - NTASK = 2 +#********************************************************* +# data to change if needed (end) +#********************************************************* - slurm = "#PBS" +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate + + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 + + +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') + +else: + prog = executable_file + +goto_directory = os.getcwd() +server_run_directory = goto_directory + -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set2' job_name='wp_10' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters='../../build_ads_system/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_10' RSF='false' #init_pdb=[" ", " "] @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_ads_system/pore_3x3x1.0nm_3-layer.pdb', '../../build_ads_system/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_ads_system/pore_3x3x1.0nm_3-layer.psf', '../../build_ads_system/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../NVT/3x3x1.0nm_3-layer/Output_data_BOX_0_restart.pdb', '../../NVT/3x3x1.0nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../NVT/3x3x1.0nm_3-layer/Output_data_merged.psf', '../../NVT/3x3x1.0nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -178,12 +245,12 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p4 in.conf > out'+str(runs[irun])+'a.dat' Ncores = 4 elif phase[irun] == 'b': - task = prog + ' +p4 in.conf > out' + str(runs[irun]) + 'a.dat' - Ncores = 4 + task = prog + ' +p8 in.conf > out' + str(runs[irun]) + 'a.dat' + Ncores = 8 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') @@ -195,3 +262,4 @@ def write_slurm(file_out, task, Ncores,server_run_directory): + diff --git a/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set3/simbuild.py b/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set3/simbuild.py index 517dfa6..70ef85a 100644 --- a/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set3/simbuild.py +++ b/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set3/simbuild.py @@ -5,58 +5,125 @@ from shutil import copytree import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - NCPU = Ncores - NTASK = 2 +#********************************************************* +# data to change if needed (end) +#********************************************************* - slurm = "#PBS" +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate + + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 + + +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') + +else: + prog = executable_file + +goto_directory = os.getcwd() +server_run_directory = goto_directory + -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set3' job_name='wp_10' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters='../../build_ads_system/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_10' RSF='false' #init_pdb=[" ", " "] @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_ads_system/pore_3x3x1.0nm_3-layer.pdb', '../../build_ads_system/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_ads_system/pore_3x3x1.0nm_3-layer.psf', '../../build_ads_system/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../NVT/3x3x1.0nm_3-layer/Output_data_BOX_0_restart.pdb', '../../NVT/3x3x1.0nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../NVT/3x3x1.0nm_3-layer/Output_data_merged.psf', '../../NVT/3x3x1.0nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -178,12 +245,12 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p4 in.conf > out'+str(runs[irun])+'a.dat' Ncores = 4 elif phase[irun] == 'b': - task = prog + ' +p4 in.conf > out' + str(runs[irun]) + 'a.dat' - Ncores = 4 + task = prog + ' +p8 in.conf > out' + str(runs[irun]) + 'a.dat' + Ncores = 8 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') @@ -195,3 +262,4 @@ def write_slurm(file_out, task, Ncores,server_run_directory): + diff --git a/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set4/simbuild.py b/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set4/simbuild.py index da0afcd..70ef85a 100644 --- a/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set4/simbuild.py +++ b/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set4/simbuild.py @@ -5,58 +5,125 @@ from shutil import copytree import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - NCPU = Ncores - NTASK = 2 +#********************************************************* +# data to change if needed (end) +#********************************************************* - slurm = "#PBS" +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate + + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 + + +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') + +else: + prog = executable_file + +goto_directory = os.getcwd() +server_run_directory = goto_directory + -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set4' job_name='wp_10' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters='../../build_ads_system/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_10' RSF='false' #init_pdb=[" ", " "] @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_ads_system/pore_3x3x1.0nm_3-layer.pdb', '../../build_ads_system/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_ads_system/pore_3x3x1.0nm_3-layer.psf', '../../build_ads_system/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../NVT/3x3x1.0nm_3-layer/Output_data_BOX_0_restart.pdb', '../../NVT/3x3x1.0nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../NVT/3x3x1.0nm_3-layer/Output_data_merged.psf', '../../NVT/3x3x1.0nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -178,12 +245,12 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p4 in.conf > out'+str(runs[irun])+'a.dat' Ncores = 4 elif phase[irun] == 'b': - task = prog + ' +p4 in.conf > out' + str(runs[irun]) + 'a.dat' - Ncores = 4 + task = prog + ' +p8 in.conf > out' + str(runs[irun]) + 'a.dat' + Ncores = 8 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') @@ -195,3 +262,4 @@ def write_slurm(file_out, task, Ncores,server_run_directory): + diff --git a/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set5/simbuild.py b/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set5/simbuild.py index da14f79..70ef85a 100644 --- a/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set5/simbuild.py +++ b/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set5/simbuild.py @@ -5,58 +5,125 @@ from shutil import copytree import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - NCPU = Ncores - NTASK = 2 +#********************************************************* +# data to change if needed (end) +#********************************************************* - slurm = "#PBS" +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate + + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 + + +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') + +else: + prog = executable_file + +goto_directory = os.getcwd() +server_run_directory = goto_directory + -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/adsorption/3x3x1.0nm_3-layer/gomc/set5' job_name='wp_10' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters='../../build_ads_system/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_10' RSF='false' #init_pdb=[" ", " "] @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_ads_system/pore_3x3x1.0nm_3-layer.pdb', '../../build_ads_system/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_ads_system/pore_3x3x1.0nm_3-layer.psf', '../../build_ads_system/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../NVT/3x3x1.0nm_3-layer/Output_data_BOX_0_restart.pdb', '../../NVT/3x3x1.0nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../NVT/3x3x1.0nm_3-layer/Output_data_merged.psf', '../../NVT/3x3x1.0nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -178,12 +245,12 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p4 in.conf > out'+str(runs[irun])+'a.dat' Ncores = 4 elif phase[irun] == 'b': - task = prog + ' +p4 in.conf > out' + str(runs[irun]) + 'a.dat' - Ncores = 4 + task = prog + ' +p8 in.conf > out' + str(runs[irun]) + 'a.dat' + Ncores = 8 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') @@ -195,3 +262,4 @@ def write_slurm(file_out, task, Ncores,server_run_directory): + diff --git a/simulations/adsorption/3x3x1.6nm_3-layer/gomc/README.md b/simulations/adsorption/3x3x1.6nm_3-layer/gomc/README.md new file mode 100644 index 0000000..79176b6 --- /dev/null +++ b/simulations/adsorption/3x3x1.6nm_3-layer/gomc/README.md @@ -0,0 +1,92 @@ + +## Instructions to build and run the GOMC 3x3x1.6nm pore adsorption simulations: + +### GOMC adsorption runs in the 3x3x1.6nm pore +The GOMC simulations in this folder simulate water adsorption into 3x3x1.6nm pore. The instructions recreating these simulations are provided below. + +Note: These simulations do not require any setup simulations, as the simulations are all started directly. + +### Step 1 : Activate the conda environment +1) Open a terminal window and activate the conda environment +* conda activate slitpore37 + + +### Step 2 : build the coordinate, topology, and force field files (PDB, PSF, and FF (.inp)) +1) Change the terminal window directory to the build_ads_system directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/adsorption/3x3x1.6nm_3-layer/gomc/build_ads_system). Assuming you are in the adsorption gomc directory (mosdef_slitpore/mosdef_slitpore/simulations/adsorption/3x3x1.6nm_3-layer/gomc). +* cd build_ads_system + +2) Run the python build script +* python build_Graphene_water.py + + +### Step 3 : create the GOMC configuration files (.conf, and Slurm submission script (if needed)) +Note: The process is detailed for set 1 below. The process will need to be repeated for set 2, set 3, set 4, and set 5. This is done by replacing set1 with set2, set3, set4, or set5. + +1) Change the terminal window directory to the set1 directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set1). +* cd ../set1 + +2) Obtaining the explicit path, "full_path_to_GOMC_bin_folder". See the Additional Information Section, Process #2 below. +Note: For a laptop or Desktop, Process #1 in the Additional Information Section can also be used so the "full_path_to_GOMC_bin_folder" does not need to be specified, but it will need to be done every time you open a terminal window + +3) Modify the python script for your system (ONLY if are running this on an HPC using Slurm). If you are using HPC submission script other than Slurm, you will need to make your own HPC submission scripts. +Open the python file simbuild.py and change the following variables as needed. +Note: For the examples below, the quotes ("") in the "full_path_to_GOMC_bin_folder" are to specify that it is not the acutal folder name. Therefore, do not enter the quotes ("") in the "full_path_to_GOMC_bin_folder", just enter full_path_to_GOMC_bin_folder +* explicit_path_to_GOMC_executable_string = "full_path_to_GOMC_bin_folder" +* CPU_or_GPU = enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) +* module_load_command_1 = Add your HPC specific module command here as a string or set as None +* module_load_command_2 = Add your HPC specific module command here as a string or set as None +* module_load_command_3 = Add your HPC specific module command here as a string or set as None + +4) Run the python build script simbuild.py +* python simbuild.py + +5) Run the GOMC code. This will need to be done for each set and the 8 runs per set (1r1, 1r2, 1r3, 1r4, 1r5, 1r6, 1r7, and 1r8). +The instructions below only show the process for set1's 1r1 folder or run. These instructions are only for running on a laptop or desktop. If you are submitting these runs to an HPC system, you will need to use the slurm's bash scripts (example: wp_10_1.sh), or use your specific HPC system submission format, and follow the HPC systems specific submission process. +See the Additional Information Section, Process #2, for more information on this GOMC run commands. Also, the HPC submission scripts (example: wp_10_1.sh) will have the suggested amount of cores to utilized (see the +p2 values). +* cd 1r1 +Run the code using the CPU: +* "full_path_to_GOMC_bin_folder"/GOMC_CPU_GCMC +p2 in.conf > out.dat + +Alternatively, Run the code using the CPU/GPU: +* "full_path_to_GOMC_bin_folder"/GOMC_GPU_GCMC +p2 in.conf > out.dat + + + +### Step 4 : Analyze the data +Change the directory to the analysis folder (mosdef_slitpore/mosdef_slitpore/simulations/adsorption/3x3x1.6nm_3-layer/gomc/analysis). This can be done from the last step or from the main folder (mosdef_slitpore/mosdef_slitpore/simulations/adsorption/3x3x1.6nm_3-layer/gomc). The analyis files will be printed in this analysis folder. +Option 1: from the last step +* cd ../../analysis +Option 2: from the main folder +* cd analysis +Run the python analysis script +* python Data_analysis.py + + + + + + +## Additional Information: + +### Process 1 : Obtaining the a temporary path to the GOMC executable file (only works while you have that terminal window open) +How to set a temporary GOMC file path once GOMC is compiled +Note: the below would need to be completed every time you open a new terminal window. +Open a new terminal window and change the directory to the GOMC directory/folder, then run: +* ls ./bin +Add the GOMC bin folder to our path, so the executable file can be called without the full path infront of it (i.e., by GOMC_CPU_GCMC, GOMC_CPU_GEMC, or GOMC_CPU_NVT) +* LOC_GOMC="$(pwd)/bin" +* export PATH="${LOC_GOMC}:$PATH" + + +### Process 2 : Obtaining the explicit path, "full_path_to_GOMC_bin_folder", to the GOMC executable using the 'pwd' command, assuming you are already in the GOMC directory. +Open a new terminal window and change the directory to the GOMC directory/folder, then run: +* cd bin +The output in the terminal window after running the pwd command is the "full_path_to_GOMC_bin_folder" . +* pwd + +Note: For the examples below, the quotes ("") in the "full_path_to_GOMC_bin_folder" are to specify that this is not the acutal folder name. Therefore, do not enter the quotes ("") in the "full_path_to_GOMC_bin_folder", just enter full_path_to_GOMC_bin_folder +* Example 1: (GCMC executable path with executable file): "full_path_to_GOMC_bin_folder"/GOMC_CPU_GCMC ; + +* Example 2: (general GOMC executable path with executable file) : "full_path_to_GOMC_bin_folder"/GOMC_XXX_aaaa + +* Example 3: (terminal code to run GOMC with Y cores from the directory containing the in.conf file) : "full_path_to_GOMC_bin_folder"/GOMC_XXX_aaaa +pY in.conf > out.dat diff --git a/simulations/adsorption/3x3x1.6nm_3-layer/gomc/build_ads_system/build_Graphene_water.py b/simulations/adsorption/3x3x1.6nm_3-layer/gomc/build_ads_system/build_Graphene_water.py new file mode 100644 index 0000000..a8b6cd7 --- /dev/null +++ b/simulations/adsorption/3x3x1.6nm_3-layer/gomc/build_ads_system/build_Graphene_water.py @@ -0,0 +1,105 @@ +from mbuild import recipes +import mbuild as mb +from foyer import Forcefield +import sys +sys.path.append('../../../../../') +from mosdef_slitpore.utils import charmm_writer as mf_charmm + + +Water_res_name = 'H2O' +Fake_water_res_name = 'h2o' + +FF_file = '../../../../../mosdef_slitpore/ffxml/pore-spce.xml' +FF_file_fake_water = '../../../../../mosdef_slitpore/ffxml/FF_Fake_SPCE.xml' + + +water = mb.load('O', smiles=True) +water.name = Water_res_name +water.energy_minimize(forcefield = FF_file , steps=10**9) + +Fake_water = mb.load('O', smiles=True) +Fake_water.name = Fake_water_res_name +Fake_water.energy_minimize(forcefield = FF_file_fake_water , steps=10**9) + +FF_Graphene_pore_w_solvent_Dict = {'H2O' : FF_file, 'BOT' : FF_file, 'TOP' : FF_file} +residues_Graphene_pore_w_solvent_List = [ water.name, 'BOT', 'TOP'] +Fix_bonds_angles_residues = [ water.name] + +FF_Graphene_pore_w_solvent_fake_water_Dict = {'H2O' : FF_file, 'h2o' : FF_file_fake_water , 'BOT': FF_file, 'TOP': FF_file} +residues_Graphene_pore_w_solvent_fake_water_List = [Fake_water.name, water.name, 'BOT', 'TOP'] +Fix_bonds_angles_fake_water_residues = [ water.name, Fake_water.name] + +Fix_Graphene_residue = [ 'BOT', 'TOP'] + +#************************************************************** +# builds water reservoir (start) +#************************************************************** + + +box_reservior = mb.fill_box(compound=[water,water],density=600, + box=[6,6,6], compound_ratio=[0.8,0.2]) + +box_reservior_w_fake_water = mb.fill_box(compound=[water,Fake_water],density=600, + box=[6,6,6], compound_ratio=[0.8,0.2]) + +#************************************************************** +# builds water reservoir (end) +#************************************************************** + + +#************************************************************** +# builds empty graphene slit for 16 Ang or 1nm (start) +#************************************************************** +# Create graphene system +pore_width_nm = 1.6 +No_sheets = 3 +sheet_spacing = 0.335 +#for GOMC, currently we need to add the space at the end of the simulation +# this does not matter as we are using PBC's +graphene =recipes.GraphenePore( + pore_width=sheet_spacing , + pore_length=3.0, + pore_depth=3.0, + n_sheets=No_sheets, + slit_pore_dim=2 +) + + +# Translate to centered at-graphene.center[0], -graphene.center[1],0 and make box larger in z +graphene.translate([ -graphene.center[0], -graphene.center[1],0]) +graphene.periodicity[2] = sheet_spacing*(2*No_sheets-1)+pore_width_nm + + + +mf_charmm.charmm_psf_psb_FF(graphene, + 'pore_3x3x1.6nm_3-layer', + structure_1 = box_reservior, + filename_1 = 'GOMC_reservior_box', + FF_filename ="GOMC_pore_water_FF" , + forcefield_files= FF_Graphene_pore_w_solvent_Dict , + residues=residues_Graphene_pore_w_solvent_List , + Bead_to_atom_name_dict = None, + fix_residue = Fix_Graphene_residue, + fix_res_bonds_angles = Fix_bonds_angles_residues, + reorder_res_in_pdb_psf = False + ) + +mf_charmm.charmm_psf_psb_FF(graphene, + 'pore_3x3x1.6nm_3-layer', + structure_1 = box_reservior_w_fake_water, + filename_1 = 'GOMC_reservior_fake_water_box', + FF_filename ="GOMC_pore_fake_water_FF" , + forcefield_files= FF_Graphene_pore_w_solvent_fake_water_Dict , + residues=residues_Graphene_pore_w_solvent_fake_water_List , + Bead_to_atom_name_dict = None, + fix_residue = Fix_Graphene_residue, + fix_res_bonds_angles = Fix_bonds_angles_fake_water_residues, + reorder_res_in_pdb_psf = False + ) + + +#************************************************************** +# builds empty graphene slit for 16 Ang or 1nm (end) +#************************************************************** + + diff --git a/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set1/simbuild.py b/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set1/simbuild.py index 026713e..ab6f69d 100644 --- a/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set1/simbuild.py +++ b/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set1/simbuild.py @@ -5,58 +5,125 @@ from shutil import copytree import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - NCPU = Ncores - NTASK = 2 +#********************************************************* +# data to change if needed (end) +#********************************************************* - slurm = "#PBS" +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate + + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + + + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 + + +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') +else: + prog = executable_file +goto_directory = os.getcwd() +server_run_directory = goto_directory -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set1' job_name='wp_16' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters='../../build_ads_system/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_16' RSF='false' #init_pdb=[" ", " "] @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_ads_system/pore_3x3x1.6nm_3-layer.pdb', '../../build_ads_system/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_ads_system/pore_3x3x1.6nm_3-layer.psf', '../../build_ads_system/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../NVT/3x3x1.6nm_3-layer/Output_data_BOX_0_restart.pdb', '../../NVT/3x3x1.6nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../NVT/3x3x1.6nm_3-layer/Output_data_merged.psf', '../../NVT/3x3x1.6nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -176,9 +243,9 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p2 in.conf > out' + str(runs[irun]) + 'a.dat' Ncores = 2 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') diff --git a/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set2/simbuild.py b/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set2/simbuild.py index 099de59..ab6f69d 100644 --- a/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set2/simbuild.py +++ b/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set2/simbuild.py @@ -5,58 +5,125 @@ from shutil import copytree import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - NCPU = Ncores - NTASK = 2 +#********************************************************* +# data to change if needed (end) +#********************************************************* - slurm = "#PBS" +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate + + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + + + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 + + +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') +else: + prog = executable_file +goto_directory = os.getcwd() +server_run_directory = goto_directory -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set2' job_name='wp_16' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters='../../build_ads_system/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_16' RSF='false' #init_pdb=[" ", " "] @@ -66,8 +133,8 @@ def write_slurm(file_out, task, Ncores,server_run_directory): resname = ['H2O','h2o','TOP', 'BOT'] runs = [1, 2, 3, 4, 5, 6, 7, 8] temp = [298, 298, 298, 298, 298, 298, 298, 298] -mus1 = [ -5573, -5212, -4852, -4491, -4130, -4040, -3950, -3769] -mus2 = [ -10000000, -10000000, -10000000, -10000000, -10000000, -1400, -1300, -1000 ] +mus1 = [-5212, -4852, -4491, -4130, -4085, -4040, -3950, -3769] +mus2 = [ -10000000, -2500, -1800, -1500, -1500, -1500, -1500, -1000 ] mus3 = [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] phase= ['v', 'v', 'v', 'v', 'v', 'l', 'l', 'l'] restart=[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_ads_system/pore_3x3x1.6nm_3-layer.pdb', '../../build_ads_system/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_ads_system/pore_3x3x1.6nm_3-layer.psf', '../../build_ads_system/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../NVT/3x3x1.6nm_3-layer/Output_data_BOX_0_restart.pdb', '../../NVT/3x3x1.6nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../NVT/3x3x1.6nm_3-layer/Output_data_merged.psf', '../../NVT/3x3x1.6nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -176,9 +243,9 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p2 in.conf > out' + str(runs[irun]) + 'a.dat' Ncores = 2 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') diff --git a/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set3/simbuild.py b/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set3/simbuild.py index dd75219..ab6f69d 100644 --- a/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set3/simbuild.py +++ b/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set3/simbuild.py @@ -5,58 +5,125 @@ from shutil import copytree import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - NCPU = Ncores - NTASK = 2 +#********************************************************* +# data to change if needed (end) +#********************************************************* - slurm = "#PBS" +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate + + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + + + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 + + +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') +else: + prog = executable_file +goto_directory = os.getcwd() +server_run_directory = goto_directory -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set3' job_name='wp_16' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters='../../build_ads_system/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_16' RSF='false' #init_pdb=[" ", " "] @@ -66,8 +133,8 @@ def write_slurm(file_out, task, Ncores,server_run_directory): resname = ['H2O','h2o','TOP', 'BOT'] runs = [1, 2, 3, 4, 5, 6, 7, 8] temp = [298, 298, 298, 298, 298, 298, 298, 298] -mus1 = [ -5573, -5212, -4852, -4491, -4130, -4040, -3950, -3769] -mus2 = [ -10000000, -10000000, -10000000, -10000000, -10000000, -1400, -1300, -1000 ] +mus1 = [-5212, -4852, -4491, -4130, -4085, -4040, -3950, -3769] +mus2 = [ -10000000, -2500, -1800, -1500, -1500, -1500, -1500, -1000 ] mus3 = [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] phase= ['v', 'v', 'v', 'v', 'v', 'l', 'l', 'l'] restart=[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_ads_system/pore_3x3x1.6nm_3-layer.pdb', '../../build_ads_system/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_ads_system/pore_3x3x1.6nm_3-layer.psf', '../../build_ads_system/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../NVT/3x3x1.6nm_3-layer/Output_data_BOX_0_restart.pdb', '../../NVT/3x3x1.6nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../NVT/3x3x1.6nm_3-layer/Output_data_merged.psf', '../../NVT/3x3x1.6nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -176,9 +243,9 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p2 in.conf > out' + str(runs[irun]) + 'a.dat' Ncores = 2 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') diff --git a/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set4/simbuild.py b/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set4/simbuild.py index b53838f..ab6f69d 100644 --- a/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set4/simbuild.py +++ b/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set4/simbuild.py @@ -5,58 +5,125 @@ from shutil import copytree import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - NCPU = Ncores - NTASK = 2 +#********************************************************* +# data to change if needed (end) +#********************************************************* - slurm = "#PBS" +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate + + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + + + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 + + +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') +else: + prog = executable_file +goto_directory = os.getcwd() +server_run_directory = goto_directory -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set4' job_name='wp_16' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters='../../build_ads_system/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_16' RSF='false' #init_pdb=[" ", " "] @@ -66,8 +133,8 @@ def write_slurm(file_out, task, Ncores,server_run_directory): resname = ['H2O','h2o','TOP', 'BOT'] runs = [1, 2, 3, 4, 5, 6, 7, 8] temp = [298, 298, 298, 298, 298, 298, 298, 298] -mus1 = [ -5573, -5212, -4852, -4491, -4130, -4040, -3950, -3769] -mus2 = [ -10000000, -10000000, -10000000, -10000000, -10000000, -1400, -1300, -1000 ] +mus1 = [-5212, -4852, -4491, -4130, -4085, -4040, -3950, -3769] +mus2 = [ -10000000, -2500, -1800, -1500, -1500, -1500, -1500, -1000 ] mus3 = [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] phase= ['v', 'v', 'v', 'v', 'v', 'l', 'l', 'l'] restart=[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_ads_system/pore_3x3x1.6nm_3-layer.pdb', '../../build_ads_system/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_ads_system/pore_3x3x1.6nm_3-layer.psf', '../../build_ads_system/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../NVT/3x3x1.6nm_3-layer/Output_data_BOX_0_restart.pdb', '../../NVT/3x3x1.6nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../NVT/3x3x1.6nm_3-layer/Output_data_merged.psf', '../../NVT/3x3x1.6nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -176,9 +243,9 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p2 in.conf > out' + str(runs[irun]) + 'a.dat' Ncores = 2 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') diff --git a/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set5/simbuild.py b/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set5/simbuild.py index e1dac65..ab6f69d 100644 --- a/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set5/simbuild.py +++ b/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set5/simbuild.py @@ -5,58 +5,125 @@ from shutil import copytree import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - NCPU = Ncores - NTASK = 2 +#********************************************************* +# data to change if needed (end) +#********************************************************* - slurm = "#PBS" +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate + + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + + + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 + + +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') +else: + prog = executable_file +goto_directory = os.getcwd() +server_run_directory = goto_directory -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/adsorption/3x3x1.6nm_3-layer/gomc/set5' job_name='wp_16' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters='../../build_ads_system/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_16' RSF='false' #init_pdb=[" ", " "] @@ -66,8 +133,8 @@ def write_slurm(file_out, task, Ncores,server_run_directory): resname = ['H2O','h2o','TOP', 'BOT'] runs = [1, 2, 3, 4, 5, 6, 7, 8] temp = [298, 298, 298, 298, 298, 298, 298, 298] -mus1 = [ -5573, -5212, -4852, -4491, -4130, -4040, -3950, -3769] -mus2 = [ -10000000, -10000000, -10000000, -10000000, -10000000, -1400, -1300, -1000 ] +mus1 = [-5212, -4852, -4491, -4130, -4085, -4040, -3950, -3769] +mus2 = [ -10000000, -2500, -1800, -1500, -1500, -1500, -1500, -1000 ] mus3 = [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] phase= ['v', 'v', 'v', 'v', 'v', 'l', 'l', 'l'] restart=[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_ads_system/pore_3x3x1.6nm_3-layer.pdb', '../../build_ads_system/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_ads_system/pore_3x3x1.6nm_3-layer.psf', '../../build_ads_system/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../NVT/3x3x1.6nm_3-layer/Output_data_BOX_0_restart.pdb', '../../NVT/3x3x1.6nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../NVT/3x3x1.6nm_3-layer/Output_data_merged.psf', '../../NVT/3x3x1.6nm_3-layer/NVT_build/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -176,9 +243,9 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p2 in.conf > out' + str(runs[irun]) + 'a.dat' Ncores = 2 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') diff --git a/simulations/bulk-water/gomc/README.md b/simulations/bulk-water/gomc/README.md new file mode 100644 index 0000000..ebb25cc --- /dev/null +++ b/simulations/bulk-water/gomc/README.md @@ -0,0 +1,147 @@ + +## Instructions to build and run the GOMC bulk water simulations: + +### GOMC bulk water simulations +The GOMC simulations in this folder simulate the bulk water properties. These simulations are used determine the pressure divided by the saturation pressure (P/Psat), so the simulation's data can be translated to the experimental data by utilizing the experimental Psat. The simulations also determine the the chemical potenial vs. pressure in the simulations, and are used to approximate the Striolo data (see reference (1) and the highest_mu_and_rho_for_vap folder). +The instructions for recreating these simulations are provided below. There are 2 parts to these bulk water simulations, which are: +* Part 1: The newly simulated saturation pressure (P/Psat), and chemical potenial vs. pressure data (mu vs. P) -- everything but the Striolo data (see reference (1) and Part 2) +* Part 2: Obtaining the critical data for rescaling of the Striolo data (Optional) -- (see Reference (1) and the highest_mu_and_rho_for_vap folder for the maximum mu before water condenses to a liquid) + +Note: These simulations do not require any setup simulations, as the simulations are all started directly. +Note: Part 1's simulation data will be used later for setting up simulations and in their analysis. + +## Part 1: The newly simulated saturation pressure (P/Psat), and chemical potenial vs. pressure data (mu vs. P) simulations + +### Step 1 : Activate the conda environment +1) Open a terminal window and activate the conda environment +* conda activate slitpore37 + + +### Step 2 : build the coordinate, topology, and force field files (PDB, PSF, and FF (.inp)) +1) Change the terminal window directory to the build_reservior directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/bulk-water/gomc/build_liq_vap_boxes). Assuming you are in the main bulk-water gomc directory (mosdef_slitpore/simulations/bulk-water/gomc). +* cd build_liq_vap_boxes + +2) Run the python build script +* python build_GOMC_water_Pvap_vs_ChemPot.py + + +### Step 3 : create the GOMC configuration files (.conf, and Slurm submission script (if needed)) +Note: The process is detailed for set 1 below. The process will need to be repeated for set 2, set 3, set 4, and set 5. This is done by replacing set1 with set2, set3, set4, or set5. + +1) Change the terminal window directory to the set1 directory (i.e., to mosdef_slitpore/simulations/bulk-water/gomc/set1). +* cd ../set1 + +2) Obtaining the explicit path, "full_path_to_GOMC_bin_folder". See the Additional Information Section, Process #2 below. +Note: For a laptop or Desktop, Process #1 in the Additional Information Section can also be used so the "full_path_to_GOMC_bin_folder" does not need to be specified, but it will need to be done every time you open a terminal window + +3) Modify the python script for your system (ONLY if are running this on an HPC using Slurm). If you are using HPC submission script other than Slurm, you will need to make your own HPC submission scripts. +Open the python file simbuild.py and change the following variables as needed. +Note: For the examples below, the quotes ("") in the "full_path_to_GOMC_bin_folder" are to specify that it is not the acutal folder name. Therefore, do not enter the quotes ("") in the "full_path_to_GOMC_bin_folder", just enter full_path_to_GOMC_bin_folder +* explicit_path_to_GOMC_executable_string = "full_path_to_GOMC_bin_folder" +* CPU_or_GPU = enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) +* module_load_command_1 = Add your HPC specific module command here as a string or set as None +* module_load_command_2 = Add your HPC specific module command here as a string or set as None +* module_load_command_3 = Add your HPC specific module command here as a string or set as None + +4) Run the python build script simbuild.py +* python simbuild.py + +5) Run the GOMC code. This will need to be done for each set and the 8 runs per set (1r1, 1r2, 1r3, 1r4, 1r5, 1r6, 1r7, and 1r8). +The instructions below only show the process for set1's 1r1 folder or run. These instructions are only for running on a laptop or desktop. If you are submitting these runs to an HPC system, you will need to use the slurm's bash scripts (example: SPCE_Pvap_1.sh), or use your specific HPC system submission format, and follow the HPC systems specific submission process. +See the Additional Information Section, Process #2, for more information on this GOMC run commands. Also, the HPC submission scripts (example: SPCE_Pvap_1.sh) will have the suggested amount of cores to utilized (see the +p2 values). +* cd 1r1 +Run the code using the CPU: +* "full_path_to_GOMC_bin_folder"/GOMC_CPU_GCMC +p2 in.conf > out.dat + +Alternatively, Run the code using the CPU/GPU: +* "full_path_to_GOMC_bin_folder"/GOMC_GPU_GCMC +p2 in.conf > out.dat + + + +### Step 4 : Analyze the data +Change the directory to the analysis folder (mosdef_slitpore/mosdef_slitpore/simulations/bulk-water/gomc/analysis). This can be done from the last step or from the main folder (mosdef_slitpore/simulations/bulk-water/gomc). The analyis files will be printed in this analysis folder. +Option 1: from the last step +* cd ../../analysis +Option 2: from the main folder +* cd analysis +Run the python analysis script +* python Data_analysis.py +To compare the results of pressure with the ideal gas law run the following plotting script +* python Plot_pure_comp_data.py + + + + + + + +## Part 2: Obtaining the critical data for rescaling of the Striolo data (Optional)-- (see Reference (1) and the highest_mu_and_rho_for_vap folder for the maximum mu before water condenses to a liquid) +Note: Part 1's steps 1 and 2 must be completed before Part 2 is started, as Part 2 uses the coordinate, topology, and force field files (PDB, PSF, and FF (.inp)) from Part 1. + +### Step 1 : Activate the conda environment +1) Open a terminal window and activate the conda environment +* conda activate slitpore37 + +### Step 2 : Run the simulations from the configuration files (Slurm submission script not available ) +Note: The process is detailed for set1 below, which is the only set in these simulations. + +1) Change the terminal window directory to the set1 directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/bulk-water/gomc/highest_mu_and_rho_for_vap/u_n_3889/set1). This is assuming that you are currently in the main bulk-water gomc directory (i.e., mosdef_slitpore/mosdef_slitpore/simulations/bulk-water/gomc) +* cd highest_mu_and_rho_for_vap/u_n_3889/set1 + +2) Obtaining the explicit path, "full_path_to_GOMC_bin_folder". See the Additional Information Section, Process #2 below. +Note: For a laptop or Desktop, Process #1 in the Additional Information Section can also be used so the "full_path_to_GOMC_bin_folder" does not need to be specified, but it will need to be done every time you open a terminal window + +3) Run the GOMC code. This will need to be done for each set and the 8 runs per set (1r1, 1r2, 1r3, 1r4, 1r5, 1r6, 1r7, and 1r8). +The instructions below only show the process for set1's 1r1 folder or run. These instructions are only for running on a laptop or desktop. If you are submitting these runs to an HPC system, you will need to write your own HPC submission scripts with your specific HPC system submission format. +See the Additional Information Section, Process #2, for more information on this GOMC run commands. +* cd 1r1 +Run the code using the CPU: +* "full_path_to_GOMC_bin_folder"/GOMC_CPU_GCMC +p1 water_GCMC.conf > out.dat + +Alternatively, Run the code using the CPU/GPU: +* "full_path_to_GOMC_bin_folder"/GOMC_GPU_GCMC +p1 water_GCMC.conf > out.dat + +### Step 3 : Analyze the data +Change the directory to the analysis folder (mosdef_slitpore/simulations/bulk-water/gomc/highest_mu_and_rho_for_vap/u_n_3889/analysis). This can be done from the last step or from the main folder (mosdef_slitpore/simulations/bulk-water/gomc) +Option 1: from the last step +* cd ../../analysis +Option 2: from the main folder +* cd highest_mu_and_rho_for_vap/u_n_3889/analysis +Run the python analysis script +* python Data_analysis.py +To analyze the results of open the SPCE_Rho_o_and_P_o_at_298K_df.csv or SPCE_Rho_o_and_P_o_at_298K_df.txt files, and confirm that the densities are all in the gas phase with a minimal standard devations for the 5 runs. If all simulations are in the gas phase with a minimal standard devations, then the desired result was obtained. More advanced users can change the chemical potential of water in the .conf files, testing when the chemical potenial is to high and the water condenses. + + + + + +## Additional Information: + +### Process 1 : Obtaining the a temporary path to the GOMC executable file (only works while you have that terminal window open) +How to set a temporary GOMC file path once GOMC is compiled +Note: the below would need to be completed every time you open a new terminal window. +Open a new terminal window and change the directory to the GOMC directory/folder, then run: +* ls ./bin +Add the GOMC bin folder to our path, so the executable file can be called without the full path infront of it (i.e., by GOMC_CPU_GCMC, GOMC_CPU_GEMC, or GOMC_CPU_NVT) +* LOC_GOMC="$(pwd)/bin" +* export PATH="${LOC_GOMC}:$PATH" + + +### Process 2 : Obtaining the explicit path, "full_path_to_GOMC_bin_folder", to the GOMC executable using the 'pwd' command, assuming you are already in the GOMC directory. +Open a new terminal window and change the directory to the GOMC directory/folder, then run: +* cd bin +The output in the terminal window after running the pwd command is the "full_path_to_GOMC_bin_folder" . +* pwd + +Note: For the examples below, the quotes ("") in the "full_path_to_GOMC_bin_folder" are to specify that this is not the acutal folder name. Therefore, do not enter the quotes ("") in the "full_path_to_GOMC_bin_folder", just enter full_path_to_GOMC_bin_folder +* Example 1: (GCMC executable path with executable file): "full_path_to_GOMC_bin_folder"/GOMC_CPU_GCMC ; + +* Example 2: (general GOMC executable path with executable file) : "full_path_to_GOMC_bin_folder"/GOMC_XXX_aaaa + +* Example 3: (terminal code to run GOMC with Y cores from the directory containing the in.conf file) : "full_path_to_GOMC_bin_folder"/GOMC_XXX_aaaa +pY in.conf > out.dat + + + +## References: + +(1) Striolo A, Chialvo AA, Cummings PT, Gubbins KE. Water adsorption in carbon-slitnanopores. Langmuir. 2003;19(20):8583–8591 diff --git a/simulations/bulk-water/gomc/analysis/Plot_pure_comp_data.py b/simulations/bulk-water/gomc/analysis/Plot_pure_comp_data.py index f71c530..e30debd 100755 --- a/simulations/bulk-water/gomc/analysis/Plot_pure_comp_data.py +++ b/simulations/bulk-water/gomc/analysis/Plot_pure_comp_data.py @@ -122,11 +122,11 @@ frame1.set_facecolor('0.90') plt.legend(ncol=1,loc='upper left', fontsize=legend_font_size, prop={'family':'Arial','size': legend_font_size}) -plt.show() -plt.show() + +#plt.show() fig1.savefig(P_vs_ChemPot_saving_name) #**************************************** #Plot Number 1 P vs T) (end) diff --git a/simulations/bulk-water/gomc/analysis/Pvap_vs_Antoine_data_water.pdf b/simulations/bulk-water/gomc/analysis/Pvap_vs_Antoine_data_water.pdf index 6e14ce5..29e7e4c 100644 Binary files a/simulations/bulk-water/gomc/analysis/Pvap_vs_Antoine_data_water.pdf and b/simulations/bulk-water/gomc/analysis/Pvap_vs_Antoine_data_water.pdf differ diff --git a/simulations/bulk-water/gomc/build_liq_vap_boxes/build_GOMC_water_Pvap_vs_ChemPot.py b/simulations/bulk-water/gomc/build_liq_vap_boxes/build_GOMC_water_Pvap_vs_ChemPot.py index 8e67a3e..7cd7156 100644 --- a/simulations/bulk-water/gomc/build_liq_vap_boxes/build_GOMC_water_Pvap_vs_ChemPot.py +++ b/simulations/bulk-water/gomc/build_liq_vap_boxes/build_GOMC_water_Pvap_vs_ChemPot.py @@ -1,6 +1,8 @@ import mbuild as mb from foyer import Forcefield -import mbuild.formats.charmm_writer as mf_charmm +import sys +sys.path.append('../../../../') +from mosdef_slitpore.utils import charmm_writer as mf_charmm filename_box_info = 'Water_Pvap_vs_Chempot' # no extention @@ -9,7 +11,7 @@ water = mb.load('O', smiles=True) water.name = Water_res_name -water.energy_minimization(forcefield = FF_file , steps=10**9) +water.energy_minimize(forcefield = FF_file , steps=10**9) Molecule_Type_List_BC = [water] residues_Water_box_List = [water.name] @@ -21,7 +23,7 @@ filename_box_info+'_reservior', structure_1 = None, filename_1 = None, - GOMC_FF_filename =filename_box_info , + FF_filename =filename_box_info , forcefield_files= FF_file , residues= residues_Water_box_List , Bead_to_atom_name_dict = None, @@ -40,7 +42,7 @@ 'Water_boxes_for_test_box_25A', structure_1 = None, filename_1 = None, - GOMC_FF_filename =None , + FF_filename =None , forcefield_files= FF_file , residues= [] , Bead_to_atom_name_dict = None, @@ -58,7 +60,7 @@ 'Water_boxes_for_test_box_30A', structure_1 = None, filename_1 = None, - GOMC_FF_filename =None , + FF_filename =None , forcefield_files= FF_file , residues= [] , Bead_to_atom_name_dict = None, @@ -76,7 +78,7 @@ 'Water_boxes_for_test_box_60A', structure_1 = None, filename_1 = None, - GOMC_FF_filename =None , + FF_filename =None , forcefield_files= FF_file , residues= [] , Bead_to_atom_name_dict = None, @@ -94,7 +96,7 @@ 'Water_boxes_for_test_box_100A', structure_1 = None, filename_1 = None, - GOMC_FF_filename =None , + FF_filename =None , forcefield_files= FF_file , residues= [] , Bead_to_atom_name_dict = None, @@ -113,7 +115,7 @@ 'Water_boxes_for_test_box_200A', structure_1 = None, filename_1 = None, - GOMC_FF_filename =None , + FF_filename =None , forcefield_files= FF_file , residues= [] , Bead_to_atom_name_dict = None, @@ -131,7 +133,7 @@ 'Water_boxes_for_test_box_300A', structure_1 = None, filename_1 = None, - GOMC_FF_filename =None , + FF_filename =None , forcefield_files= FF_file , residues= [] , Bead_to_atom_name_dict = None, @@ -149,7 +151,7 @@ 'Water_boxes_for_test_box_400A', structure_1 = None, filename_1 = None, - GOMC_FF_filename =None , + FF_filename =None , forcefield_files= FF_file , residues= [] , Bead_to_atom_name_dict = None, @@ -167,7 +169,7 @@ 'Water_boxes_for_test_box_500A', structure_1 = None, filename_1 = None, - GOMC_FF_filename =None , + FF_filename =None , forcefield_files= FF_file , residues= [] , Bead_to_atom_name_dict = None, @@ -185,7 +187,7 @@ 'Water_boxes_for_test_box_600A', structure_1 = None, filename_1 = None, - GOMC_FF_filename =None , + FF_filename =None , forcefield_files= FF_file , residues= [] , Bead_to_atom_name_dict = None, @@ -203,7 +205,7 @@ 'Water_boxes_for_test_box_800A', structure_1 = None, filename_1 = None, - GOMC_FF_filename =None , + FF_filename =None , forcefield_files= FF_file , residues= [] , Bead_to_atom_name_dict = None, @@ -221,7 +223,7 @@ 'Water_boxes_for_test_box_1000A', structure_1 = None, filename_1 = None, - GOMC_FF_filename =None , + FF_filename =None , forcefield_files= FF_file , residues= [] , Bead_to_atom_name_dict = None, @@ -239,7 +241,7 @@ 'Water_boxes_for_test_box_1500A', structure_1 = None, filename_1 = None, - GOMC_FF_filename =None , + FF_filename =None , forcefield_files= FF_file , residues= [] , Bead_to_atom_name_dict = None, @@ -257,7 +259,7 @@ 'Water_boxes_for_test_box_2000A', structure_1 = None, filename_1 = None, - GOMC_FF_filename =None , + FF_filename =None , forcefield_files= FF_file , residues= [] , Bead_to_atom_name_dict = None, @@ -275,7 +277,7 @@ 'Water_boxes_for_test_box_3000A', structure_1 = None, filename_1 = None, - GOMC_FF_filename =None , + FF_filename =None , forcefield_files= FF_file , residues= [] , Bead_to_atom_name_dict = None, @@ -293,7 +295,7 @@ 'Water_boxes_for_test_box_4000A', structure_1 = None, filename_1 = None, - GOMC_FF_filename =None , + FF_filename =None , forcefield_files= FF_file , residues= [] , Bead_to_atom_name_dict = None, @@ -311,7 +313,7 @@ 'Water_boxes_for_test_box_5000A', structure_1 = None, filename_1 = None, - GOMC_FF_filename =None , + FF_filename =None , forcefield_files= FF_file , residues= [] , Bead_to_atom_name_dict = None, diff --git a/simulations/bulk-water/gomc/set1/simbuild.py b/simulations/bulk-water/gomc/set1/simbuild.py index e64bd6f..6464cb9 100644 --- a/simulations/bulk-water/gomc/set1/simbuild.py +++ b/simulations/bulk-water/gomc/set1/simbuild.py @@ -5,6 +5,10 @@ from shutil import copytree import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* + explicit_path_to_GOMC_executable_string = None # if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you #open a new terminal window per the install GOMC section @@ -12,6 +16,18 @@ # or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. # explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string + +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string + +#********************************************************* +# data to change if needed (end) +#********************************************************* + def write_slurm(file_out, task, Ncores,server_run_directory, newdir): # SLURM boilerplate @@ -30,7 +46,7 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): Line_13 = 'echo "Running on host" hostname' Line_14 = 'echo "Time is" date' - Line_15 = "module swap gnu7/7.3.0 intel/2019" + #goto_directory = os.getcwd() goto_directory = server_run_directory @@ -42,26 +58,49 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") file.write(slurm + Line_6 + "\n") - file.write(slurm+Line_7 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + file.write(slurm+Line_8 + "\n") file.write(slurm+Line_10 + "\n") file.write(slurm+Line_11 + "\n") file.write(slurm + Line_12 + "\n\n") file.write(Line_13 + "\n") - file.write(Line_14 + "\n") - file.write(Line_15 + "\n\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 -executable_file = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -if explicit_path_to_GOMC_executable_string != None: +if explicit_path_to_GOMC_executable_string != None : if isinstance(explicit_path_to_GOMC_executable_string,str): if explicit_path_to_GOMC_executable_string[-1] == '/': length = len(explicit_path_to_GOMC_executable_string)-1 @@ -76,11 +115,12 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): else: prog = executable_file -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = '/wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/bulk-water/gomc/set1' +goto_directory = os.getcwd() +server_run_directory = goto_directory + + + -#goto_directory = os.getcwd() -#server_run_directory = goto_directory job_name='SPCE_Pvap' parameters='../../build_liq_vap_boxes/Water_Pvap_vs_Chempot.inp' outputname = 'SPCE_Pvap' diff --git a/simulations/bulk-water/gomc/set2/simbuild.py b/simulations/bulk-water/gomc/set2/simbuild.py index bb7a334..6464cb9 100644 --- a/simulations/bulk-water/gomc/set2/simbuild.py +++ b/simulations/bulk-water/gomc/set2/simbuild.py @@ -5,6 +5,10 @@ from shutil import copytree import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* + explicit_path_to_GOMC_executable_string = None # if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you #open a new terminal window per the install GOMC section @@ -12,6 +16,18 @@ # or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. # explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string + +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string + +#********************************************************* +# data to change if needed (end) +#********************************************************* + def write_slurm(file_out, task, Ncores,server_run_directory, newdir): # SLURM boilerplate @@ -30,7 +46,7 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): Line_13 = 'echo "Running on host" hostname' Line_14 = 'echo "Time is" date' - Line_15 = "module swap gnu7/7.3.0 intel/2019" + #goto_directory = os.getcwd() goto_directory = server_run_directory @@ -42,26 +58,49 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") file.write(slurm + Line_6 + "\n") - file.write(slurm+Line_7 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + file.write(slurm+Line_8 + "\n") file.write(slurm+Line_10 + "\n") file.write(slurm+Line_11 + "\n") file.write(slurm + Line_12 + "\n\n") file.write(Line_13 + "\n") - file.write(Line_14 + "\n") - file.write(Line_15 + "\n\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 -executable_file = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -if explicit_path_to_GOMC_executable_string != None: +if explicit_path_to_GOMC_executable_string != None : if isinstance(explicit_path_to_GOMC_executable_string,str): if explicit_path_to_GOMC_executable_string[-1] == '/': length = len(explicit_path_to_GOMC_executable_string)-1 @@ -76,11 +115,12 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): else: prog = executable_file -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = '/wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/bulk-water/gomc/set2' +goto_directory = os.getcwd() +server_run_directory = goto_directory + + + -#goto_directory = os.getcwd() -#server_run_directory = goto_directory job_name='SPCE_Pvap' parameters='../../build_liq_vap_boxes/Water_Pvap_vs_Chempot.inp' outputname = 'SPCE_Pvap' diff --git a/simulations/bulk-water/gomc/set3/simbuild.py b/simulations/bulk-water/gomc/set3/simbuild.py index d40991b..6464cb9 100644 --- a/simulations/bulk-water/gomc/set3/simbuild.py +++ b/simulations/bulk-water/gomc/set3/simbuild.py @@ -5,6 +5,10 @@ from shutil import copytree import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* + explicit_path_to_GOMC_executable_string = None # if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you #open a new terminal window per the install GOMC section @@ -12,6 +16,18 @@ # or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. # explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string + +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string + +#********************************************************* +# data to change if needed (end) +#********************************************************* + def write_slurm(file_out, task, Ncores,server_run_directory, newdir): # SLURM boilerplate @@ -30,7 +46,7 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): Line_13 = 'echo "Running on host" hostname' Line_14 = 'echo "Time is" date' - Line_15 = "module swap gnu7/7.3.0 intel/2019" + #goto_directory = os.getcwd() goto_directory = server_run_directory @@ -42,26 +58,49 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") file.write(slurm + Line_6 + "\n") - file.write(slurm+Line_7 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + file.write(slurm+Line_8 + "\n") file.write(slurm+Line_10 + "\n") file.write(slurm+Line_11 + "\n") file.write(slurm + Line_12 + "\n\n") file.write(Line_13 + "\n") - file.write(Line_14 + "\n") - file.write(Line_15 + "\n\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 -executable_file = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -if explicit_path_to_GOMC_executable_string != None: +if explicit_path_to_GOMC_executable_string != None : if isinstance(explicit_path_to_GOMC_executable_string,str): if explicit_path_to_GOMC_executable_string[-1] == '/': length = len(explicit_path_to_GOMC_executable_string)-1 @@ -76,11 +115,12 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): else: prog = executable_file -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = '/wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/bulk-water/gomc/set3' +goto_directory = os.getcwd() +server_run_directory = goto_directory + + + -#goto_directory = os.getcwd() -#server_run_directory = goto_directory job_name='SPCE_Pvap' parameters='../../build_liq_vap_boxes/Water_Pvap_vs_Chempot.inp' outputname = 'SPCE_Pvap' diff --git a/simulations/bulk-water/gomc/set4/simbuild.py b/simulations/bulk-water/gomc/set4/simbuild.py index be6d5cb..6464cb9 100644 --- a/simulations/bulk-water/gomc/set4/simbuild.py +++ b/simulations/bulk-water/gomc/set4/simbuild.py @@ -5,6 +5,10 @@ from shutil import copytree import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* + explicit_path_to_GOMC_executable_string = None # if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you #open a new terminal window per the install GOMC section @@ -12,6 +16,18 @@ # or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. # explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string + +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string + +#********************************************************* +# data to change if needed (end) +#********************************************************* + def write_slurm(file_out, task, Ncores,server_run_directory, newdir): # SLURM boilerplate @@ -30,7 +46,7 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): Line_13 = 'echo "Running on host" hostname' Line_14 = 'echo "Time is" date' - Line_15 = "module swap gnu7/7.3.0 intel/2019" + #goto_directory = os.getcwd() goto_directory = server_run_directory @@ -42,26 +58,49 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") file.write(slurm + Line_6 + "\n") - file.write(slurm+Line_7 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + file.write(slurm+Line_8 + "\n") file.write(slurm+Line_10 + "\n") file.write(slurm+Line_11 + "\n") file.write(slurm + Line_12 + "\n\n") file.write(Line_13 + "\n") - file.write(Line_14 + "\n") - file.write(Line_15 + "\n\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 -executable_file = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -if explicit_path_to_GOMC_executable_string != None: +if explicit_path_to_GOMC_executable_string != None : if isinstance(explicit_path_to_GOMC_executable_string,str): if explicit_path_to_GOMC_executable_string[-1] == '/': length = len(explicit_path_to_GOMC_executable_string)-1 @@ -76,11 +115,12 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): else: prog = executable_file -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = '/wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/bulk-water/gomc/set4' +goto_directory = os.getcwd() +server_run_directory = goto_directory + + + -#goto_directory = os.getcwd() -#server_run_directory = goto_directory job_name='SPCE_Pvap' parameters='../../build_liq_vap_boxes/Water_Pvap_vs_Chempot.inp' outputname = 'SPCE_Pvap' diff --git a/simulations/bulk-water/gomc/set5/simbuild.py b/simulations/bulk-water/gomc/set5/simbuild.py index de2298c..6464cb9 100644 --- a/simulations/bulk-water/gomc/set5/simbuild.py +++ b/simulations/bulk-water/gomc/set5/simbuild.py @@ -5,6 +5,10 @@ from shutil import copytree import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* + explicit_path_to_GOMC_executable_string = None # if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you #open a new terminal window per the install GOMC section @@ -12,6 +16,18 @@ # or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. # explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string + +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string + +#********************************************************* +# data to change if needed (end) +#********************************************************* + def write_slurm(file_out, task, Ncores,server_run_directory, newdir): # SLURM boilerplate @@ -30,7 +46,7 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): Line_13 = 'echo "Running on host" hostname' Line_14 = 'echo "Time is" date' - Line_15 = "module swap gnu7/7.3.0 intel/2019" + #goto_directory = os.getcwd() goto_directory = server_run_directory @@ -42,26 +58,49 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") file.write(slurm + Line_6 + "\n") - file.write(slurm+Line_7 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + file.write(slurm+Line_8 + "\n") file.write(slurm+Line_10 + "\n") file.write(slurm+Line_11 + "\n") file.write(slurm + Line_12 + "\n\n") file.write(Line_13 + "\n") - file.write(Line_14 + "\n") - file.write(Line_15 + "\n\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 -executable_file = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -if explicit_path_to_GOMC_executable_string != None: +if explicit_path_to_GOMC_executable_string != None : if isinstance(explicit_path_to_GOMC_executable_string,str): if explicit_path_to_GOMC_executable_string[-1] == '/': length = len(explicit_path_to_GOMC_executable_string)-1 @@ -76,11 +115,12 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): else: prog = executable_file -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = '/wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/bulk-water/gomc/set5' +goto_directory = os.getcwd() +server_run_directory = goto_directory + + + -#goto_directory = os.getcwd() -#server_run_directory = goto_directory job_name='SPCE_Pvap' parameters='../../build_liq_vap_boxes/Water_Pvap_vs_Chempot.inp' outputname = 'SPCE_Pvap' diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/README.md b/simulations/desorption/3x3x1.0nm_3-layer/gomc/README.md new file mode 100644 index 0000000..9db7946 --- /dev/null +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/README.md @@ -0,0 +1,173 @@ +## Instructions to build and run the GOMC 3x3x1.0nm pore desorption simulations: + +### GOMC desorption runs in the 3x3x1.0nm pore +The GOMC simulations in this folder simulate water desorption into 3x3x1.0nm pore. The instructions recreating these simulations are provided below. + +Note: These simulations require setup simulations, as simulations need to start with the pores filled at a high pressure divided by the saturation pressure (P/Psat). These setup simulations are listed as optional since the endpoints from the required setup simulations are provided. However, the instructions for the two (2) setup simulations are provided as optional simulations for the user. The simulations for desorption are as follows: +* Part 1 (optional): Simulations to determine the number of waters in the graphene pore at a high chemical potential (see the setup_high_P_div_Po directory). +* Part 2 (optional): Stabilizing the determined the number of waters in the graphene pore from Part 1 via NVT simulations (see the setup_run_NVT directory). +* Part 3 : Desorption simulations starting from a high number of waters in the graphene pore (i.e., starting from the end of Part 2's simulations)). + + + +## Part 1 (optional): Simulations to determine the number of waters in the graphene pore at a high chemical potential (see the setup_high_P_div_Po directory). +Note: This simulation's data uses the average number of waters in the graphene pore for Part 2. +Note: Part 2 can be simulated without simulating Part 1. + +### Step 1 : Activate the conda environment +1) Open a terminal window and activate the conda environment +* conda activate slitpore37 + + +### Step 2 : build the coordinate, topology, and force field files (PDB, PSF, and FF (.inp)) +1) Change the terminal window directory to the build_ads_system directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/build_ads_system). Assuming you are in the adsorptoin gomc directory (mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc). +* cd build_reservior + +2) Run the python build script +* python build_Graphene_water.py + + +### Step 3 : Run the simulation from the configuration file (Slurm submission script not available ) +1) Change the terminal window directory to the u_n_3769 directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_high_P_div_Po/u_n_3769). This is assuming that you are currently in the build_reservior directory (i.e., mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/build_reservior) +* cd ../setup_high_P_div_Po/u_n_3769 + +2) Run the GOMC code. There is only 1 simulation to run, which is used as the starting point for the 3x3x1.0nm_3-layer desorption simulations. +See the Additional Information Section, Process #2, for more information on this GOMC run commands and how to obtain the "full_path_to_GOMC_bin_folder" path. If available, use 2 to 8 cores (i.e., +p2 to +p8) for these simulations. +* cd 1r1 +Run the code using the CPU: +* "full_path_to_GOMC_bin_folder"/GOMC_CPU_GCMC +p1 slit_water_GCMC.conf > out.dat + +Alternatively, Run the code using the CPU/GPU: +* "full_path_to_GOMC_bin_folder"/GOMC_GPU_GCMC +p1 slit_water_GCMC.conf > out.dat + + +### Step 4 : Analyze the data +There is no built-in analysis code. However, to get an answer, the user can analyze the total number of waters in the Blk_Output_data_BOX_0.dat file, generated in the same directory as the slit_water_GCMC.conf file (see Step 3). + + + + + +## Part 2 (optional): Stabilizing the determined the number of waters in the graphene pore from Part 1 via NVT simulations (see the setup_run_NVT directory). +Note: This simulation stabilizes the number of waters in the graphene pore, determined in Part 1. The stabilization is done by building a new single simulation box and running an NVT simulation. The endpoint of this NVT simulation is used as a starting point for Part 3. +Note: Part 3 can be simulated without simulating Part 1 and/or 2. + +### Step 1 : Activate the conda environment +1) Open a terminal window and activate the conda environment +* conda activate slitpore37 + + +### Step 2 : build the coordinate, topology, and force field files (PDB, PSF, and FF (.inp)) +1) Change the terminal window directory to the NVT_build directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_run_NVT/NVT_build). Assuming you are in the main desorption gomc directory (mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc). +* cd setup_run_NVT/NVT_build + +2) Run the python build script +* python build_NVT_pore_3x3x1.0nm_3-layer.py + + +### Step 3 : Run the simulations from the configuration files (Slurm submission script not available ) +1) Change the terminal window directory to the setup_run_NVT directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_run_NVT). This is assuming that you are currently in the NVT_build directory (i.e., mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_run_NVT/NVT_build) +* cd ../ + +2) Run the GOMC code. There is only 1 simulation to run, which is used as the starting point for the 3x3x1.0nm_3-layer desorption simulations. +See the Additional Information Section, Process #2, for more information on this GOMC run commands and how to obtain the "full_path_to_GOMC_bin_folder" path. If available, use 2 to 8 cores (i.e., +p2 to +p8) for these simulations. + +Run the code using the CPU: +* "full_path_to_GOMC_bin_folder"/GOMC_CPU_NVT +p2 slit_water_NVT.conf > out.dat + +Alternatively, Run the code using the CPU/GPU: +* "full_path_to_GOMC_bin_folder"/GOMC_GPU_NVT +p2 slit_water_NVT.conf > out.dat + + +### Step 4 : Analyze the data +There is no analysis for this NVT simulation, as it is just a starting point for simulations in Part 3. + + + + + + +## Part 3: Desorption simulations starting from a high number of waters in the graphene pore (i.e., starting the end of Part 2's simulations) + +### Step 1 : Activate the conda environment +1) Open a terminal window and activate the conda environment +* conda activate slitpore37 + + +### Step 2 : build the coordinate, topology, and force field files (PDB, PSF, and FF (.inp)) +1) Change the terminal window directory to the build_reservior directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/build_reservior). Assuming you are in the main desorption gomc directory (mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc). +* cd build_reservior + +2) Run the python build script +* python build_Graphene_water.py + + +### Step 3 : create the GOMC configuration files (.conf, and Slurm submission script (if needed)) +Note: The process is detailed for set 1 below. The process will need to be repeated for set 2, set 3, set 4, and set 5. This is done by replacing set1 with set2, set3, set4, or set5. + +1) Change the terminal window directory to the set1 directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1). +* cd ../set1 + +2) Obtaining the explicit path, "full_path_to_GOMC_bin_folder". See the Additional Information Section, Process #2 below. +Note: For a laptop or Desktop, Process #1 in the Additional Information Section can also be used so the "full_path_to_GOMC_bin_folder" does not need to be specified, but it will need to be done every time you open a terminal window + +3) Modify the python script for your system (ONLY if are running this on an HPC using Slurm). If you are using HPC submission script other than Slurm, you will need to make your own HPC submission scripts. +Open the python file simbuild.py and change the following variables as needed. +Note: For the examples below, the quotes ("") in the "full_path_to_GOMC_bin_folder" are to specify that it is not the acutal folder name. Therefore, do not enter the quotes ("") in the "full_path_to_GOMC_bin_folder", just enter full_path_to_GOMC_bin_folder +* explicit_path_to_GOMC_executable_string = "full_path_to_GOMC_bin_folder" +* CPU_or_GPU = enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) +* module_load_command_1 = Add your HPC specific module command here as a string or set as None +* module_load_command_2 = Add your HPC specific module command here as a string or set as None +* module_load_command_3 = Add your HPC specific module command here as a string or set as None + +4) Run the python build script simbuild.py +* python simbuild.py + +5) Run the GOMC code. This will need to be done for each set and the 8 runs per set (1r1, 1r2, 1r3, 1r4, 1r5, 1r6, 1r7, and 1r8). +The instructions below only show the process for set1's 1r1 folder or run. These instructions are only for running on a laptop or desktop. If you are submitting these runs to an HPC system, you will need to use the slurm's bash scripts (example: wp_10_1.sh), or use your specific HPC system submission format, and follow the HPC systems specific submission process. +See the Additional Information Section, Process #2, for more information on this GOMC run commands. Also, the HPC submission scripts (example: wp_10_1.sh) will have the suggested amount of cores to utilized (see the +p2 values). +* cd 1r1 +Run the code using the CPU: +* "full_path_to_GOMC_bin_folder"/GOMC_CPU_GCMC +p2 in.conf > out.dat + +Alternatively, Run the code using the CPU/GPU: +* "full_path_to_GOMC_bin_folder"/GOMC_GPU_GCMC +p2 in.conf > out.dat + + +### Step 4 : Analyze the data +Change the directory to the analysis folder (mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/analysis). This can be done from the last step or from the main folder (mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc). The analyis files will be printed in this analysis folder. +Option 1: from the last step +* cd ../../analysis +Option 2: from the main folder +* cd analysis +Run the python analysis script +* python Data_analysis.py + + + + + +## Additional Information: + +### +How to set a temporary GOMC file path once GOMC is compiled +Note: the below would need to be completed every time you open a new terminal window. +Open a new terminal window and change the directory to the GOMC directory/folder, then run: +* ls ./bin +Add the GOMC bin folder to our path, so the executable file can be called without the full path infront of it (i.e., by GOMC_CPU_GCMC, GOMC_CPU_GEMC, or GOMC_CPU_NVT) +* LOC_GOMC="$(pwd)/bin" +* export PATH="${LOC_GOMC}:$PATH" + + +### Process 2 : Obtaining the explicit path, "full_path_to_GOMC_bin_folder", to the GOMC executable using the 'pwd' command, assuming you are already in the GOMC directory. +Open a new terminal window and change the directory to the GOMC directory/folder, then run: +* cd bin +The output in the terminal window after running the pwd command is the "full_path_to_GOMC_bin_folder" . +* pwd + +Note: For the examples below, the quotes ("") in the "full_path_to_GOMC_bin_folder" are to specify that this is not the acutal folder name. Therefore, do not enter the quotes ("") in the "full_path_to_GOMC_bin_folder", just enter full_path_to_GOMC_bin_folder +* Example 1: (GCMC executable path with executable file): "full_path_to_GOMC_bin_folder"/GOMC_CPU_GCMC ; + +* Example 2: (general GOMC executable path with executable file) : "full_path_to_GOMC_bin_folder"/GOMC_XXX_aaaa + +* Example 3: (terminal code to run GOMC with Y cores from the directory containing the in.conf file) : "full_path_to_GOMC_bin_folder"/GOMC_XXX_aaaa +pY in.conf > out.dat diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/build_reservior/build_Graphene_water.py b/simulations/desorption/3x3x1.0nm_3-layer/gomc/build_reservior/build_Graphene_water.py new file mode 100644 index 0000000..28a8237 --- /dev/null +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/build_reservior/build_Graphene_water.py @@ -0,0 +1,103 @@ +from mbuild import recipes +import mbuild as mb +from foyer import Forcefield +import sys +sys.path.append('../../../../../') +from mosdef_slitpore.utils import charmm_writer as mf_charmm + + +Water_res_name = 'H2O' +Fake_water_res_name = 'h2o' + +FF_file = '../../../../../mosdef_slitpore/ffxml/pore-spce.xml' +FF_file_fake_water = '../../../../../mosdef_slitpore/ffxml/FF_Fake_SPCE.xml' + + +water = mb.load('O', smiles=True) +water.name = Water_res_name +water.energy_minimize(forcefield = FF_file , steps=10**9) + +Fake_water = mb.load('O', smiles=True) +Fake_water.name = Fake_water_res_name +Fake_water.energy_minimize(forcefield = FF_file_fake_water , steps=10**9) + +FF_Graphene_pore_w_solvent_Dict = {'H2O' : FF_file, 'BOT' : FF_file, 'TOP' : FF_file} +residues_Graphene_pore_w_solvent_List = [ water.name, 'BOT', 'TOP'] +Fix_bonds_angles_residues = [ water.name] + +FF_Graphene_pore_w_solvent_fake_water_Dict = {'H2O' : FF_file, 'h2o' : FF_file_fake_water , 'BOT': FF_file, 'TOP': FF_file} +residues_Graphene_pore_w_solvent_fake_water_List = [Fake_water.name, water.name, 'BOT', 'TOP'] +Fix_bonds_angles_fake_water_residues = [ water.name, Fake_water.name] + +Fix_Graphene_residue = [ 'BOT', 'TOP'] + +#************************************************************** +# builds water reservoir (start) +#************************************************************** + + +box_reservior = mb.fill_box(compound=[water,water],density=600, + box=[6,6,6], compound_ratio=[0.8,0.2]) + +box_reservior_w_fake_water = mb.fill_box(compound=[water,Fake_water],density=600, + box=[6,6,6], compound_ratio=[0.8,0.2]) + +#************************************************************** +# builds water reservoir (end) +#************************************************************** + +#************************************************************** +# builds empty graphene slit for 10 Ang or 1nm (start) +#************************************************************** +# Create graphene system +pore_width_nm = 1.0 +No_sheets = 3 +sheet_spacing = 0.335 +#for GOMC, currently we need to add the space at the end of the simulation +# this does not matter as we are using PBC's +graphene =recipes.GraphenePore( + pore_width=sheet_spacing , + pore_length=3.0, + pore_depth=3.0, + n_sheets=No_sheets, + slit_pore_dim=2 +) + + +# Translate to centered at-graphene.center[0], -graphene.center[1],0 and make box larger in z +graphene.translate([ -graphene.center[0], -graphene.center[1],0]) +graphene.periodicity[2] = sheet_spacing*(2*No_sheets-1)+pore_width_nm + + + +mf_charmm.charmm_psf_psb_FF(graphene, + 'pore_3x3x1.0nm_3-layer', + structure_1 = box_reservior, + filename_1 = 'GOMC_reservior_box', + FF_filename ="GOMC_pore_water_FF" , + forcefield_files= FF_Graphene_pore_w_solvent_Dict , + residues=residues_Graphene_pore_w_solvent_List , + Bead_to_atom_name_dict = None, + fix_residue = Fix_Graphene_residue, + fix_res_bonds_angles = Fix_bonds_angles_residues, + reorder_res_in_pdb_psf = False + ) + +mf_charmm.charmm_psf_psb_FF(graphene, + 'pore_3x3x1.0nm_3-layer', + structure_1 = box_reservior_w_fake_water, + filename_1 = 'GOMC_reservior_fake_water_box', + FF_filename ="GOMC_pore_fake_water_FF" , + forcefield_files= FF_Graphene_pore_w_solvent_fake_water_Dict , + residues=residues_Graphene_pore_w_solvent_fake_water_List , + Bead_to_atom_name_dict = None, + fix_residue = Fix_Graphene_residue, + fix_res_bonds_angles = Fix_bonds_angles_fake_water_residues, + reorder_res_in_pdb_psf = False + ) + + +#************************************************************** +# builds empty graphene slit for 10 Ang or 1nm (end) +#************************************************************** + diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r1/in.conf b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r1/in.conf new file mode 100644 index 0000000..696305f --- /dev/null +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r1/in.conf @@ -0,0 +1,164 @@ +######################## +## Init File +## +## IMPROVEMENTS +## - Compacts inputs into one line +## - Suggestion: edit inline with (insert key) +## +## To-Do +## (make editor + XML version) +######################## + +############################################################################ +# ========-------------------- INPUT --------------------------=========== +############################################################################ + +######################### +# enable, step +######################### +Restart False + +#################################### +# kind {RESTART, RANDOM, INTSEED} +#################################### +PRNG RANDOM + +#################################### +# FORCE FIELD +#################################### +ParaTypeCHARMM true +Parameters ../../build_reservior/GOMC_pore_fake_water_FF.inp + +#################################### +# INPUT PDB FILES +#################################### +Coordinates 0 ../../setup_run_NVT/Output_data_BOX_0_restart.pdb +Coordinates 1 ../../build_reservior/GOMC_reservior_fake_water_box.pdb + + +#################################### +# INPUT PSF FILES +#################################### +Structure 0 ../../setup_run_NVT/Output_data_merged.psf +Structure 1 ../../build_reservior/GOMC_reservior_fake_water_box.psf + + +############################################################################ +# =======--------------------- SYSTEM --------------------------=========== +############################################################################ + +################################## +# GEMC TYPE (DEFULT IS NVT_GEMC) +################################## + + +############################# +# SIMULATION CONDITIONS +############################# +Temperature 298 +ChemPot H2O -5934 +ChemPot h2o -10000000 +ChemPot TOP 0 +ChemPot BOT 0 +Potential VDW +LRC false +Rcut 9 +Exclude 1-4 + +############################# +# ELECTROSTATIC +############################# +ElectroStatic true +Ewald true +CachedFourier false +Tolerance 0.00001 +RcutColoumb 0 9 +#1-4scaling 1.0 + +############################### +# PR5000000URE CALCULATION +################################ +PressureCalc false + +################################ +# STEPS +################################ +RunSteps 150000000 +EqSteps 5000000 +AdjSteps 1000 + +################################ +# MOVE FREQUENCY +################################ +DisFreq 0.15 +RotFreq 0.15 +SwapFreq 0.5 +RegrowthFreq 0.2 +MEMC-2Freq 0.0 + +############################### +# MEMC PARAMETERS +############################### +ExchangeVolumeDim 1.0 1.0 1.0 +ExchangeRatio 1 +ExchangeLargeKind H2O +ExchangeSmallKind h2o +LargeKindBackBone O1 H1 +SmallKindBackBone O1 H1 + +################################ +# BOX DIMENSION #, X, Y, Z +################################ +CellBasisVector1 0 29.472 0.0 0.0 +CellBasisVector2 0 0.0 29.777 0.0 +CellBasisVector3 0 0.0 0.0 26.75 + +CellBasisVector1 1 60 0.0 0.0 +CellBasisVector2 1 0.0 60 0.0 +CellBasisVector3 1 0.0 0.0 60 + +############################## +# CBMC TRIALS +############################## +CBMC_First 3 +CBMC_Nth 2 +CBMC_Ang 50 +CBMC_Dih 1 + + +############################################################################ +# =======-------------------- OUTPUT --------------------------=========== +############################################################################ + +########################## +# statistics filename add +########################## +OutputName SPCE_PORE_10 + +##################################### +# enable, frequency +##################################### +CoordinatesFreq true 10000000 +RestartFreq true 1000000 +ConsoleFreq true 10000 +BlockAverageFreq true 100000 +HistogramFreq true 100000 + + +################################ +# OutHistSettings +################################ +DistName dis +HistName his +RunNumber 1 +RunLetter a +SampleFreq 500 + +################################## +# enable: blk avg., fluct. +################################## +OutEnergy true true +OutPressure false false +OutMolNum true true +OutDensity true true + diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r1/wp_10_1.sh b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r1/wp_10_1.sh new file mode 100644 index 0000000..68dd9c3 --- /dev/null +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r1/wp_10_1.sh @@ -0,0 +1,22 @@ +#!/bin/bash + +#SBATCH --job-name 1r1 +#SBATCH -q primary +#SBATCH -N 1 +#SBATCH -n 2 +#SBATCH --mem=16G +#SBATCH --constraint=intel +#SBATCH --mail-type=ALL +#SBATCH -o output_%j.out +#SBATCH -e errors_%j.err +#SBATCH -t 336:0:0 + +echo "Running on host" hostname +echo "Time is" date + +module swap gnu7/7.3.0 intel/2019 + + +cd /home/brad/Programs/GIT_repositories/mosdef_slitpore_built_for_testing/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r1 + +GOMC_CPU_GCMC +p2 in.conf > out1a.dat diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r2/in.conf b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r2/in.conf new file mode 100644 index 0000000..f4bc01b --- /dev/null +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r2/in.conf @@ -0,0 +1,164 @@ +######################## +## Init File +## +## IMPROVEMENTS +## - Compacts inputs into one line +## - Suggestion: edit inline with (insert key) +## +## To-Do +## (make editor + XML version) +######################## + +############################################################################ +# ========-------------------- INPUT --------------------------=========== +############################################################################ + +######################### +# enable, step +######################### +Restart False + +#################################### +# kind {RESTART, RANDOM, INTSEED} +#################################### +PRNG RANDOM + +#################################### +# FORCE FIELD +#################################### +ParaTypeCHARMM true +Parameters ../../build_reservior/GOMC_pore_fake_water_FF.inp + +#################################### +# INPUT PDB FILES +#################################### +Coordinates 0 ../../setup_run_NVT/Output_data_BOX_0_restart.pdb +Coordinates 1 ../../build_reservior/GOMC_reservior_fake_water_box.pdb + + +#################################### +# INPUT PSF FILES +#################################### +Structure 0 ../../setup_run_NVT/Output_data_merged.psf +Structure 1 ../../build_reservior/GOMC_reservior_fake_water_box.psf + + +############################################################################ +# =======--------------------- SYSTEM --------------------------=========== +############################################################################ + +################################## +# GEMC TYPE (DEFULT IS NVT_GEMC) +################################## + + +############################# +# SIMULATION CONDITIONS +############################# +Temperature 298 +ChemPot H2O -5573 +ChemPot h2o -10000000 +ChemPot TOP 0 +ChemPot BOT 0 +Potential VDW +LRC false +Rcut 9 +Exclude 1-4 + +############################# +# ELECTROSTATIC +############################# +ElectroStatic true +Ewald true +CachedFourier false +Tolerance 0.00001 +RcutColoumb 0 9 +#1-4scaling 1.0 + +############################### +# PR5000000URE CALCULATION +################################ +PressureCalc false + +################################ +# STEPS +################################ +RunSteps 150000000 +EqSteps 5000000 +AdjSteps 1000 + +################################ +# MOVE FREQUENCY +################################ +DisFreq 0.15 +RotFreq 0.15 +SwapFreq 0.5 +RegrowthFreq 0.2 +MEMC-2Freq 0.0 + +############################### +# MEMC PARAMETERS +############################### +ExchangeVolumeDim 1.0 1.0 1.0 +ExchangeRatio 1 +ExchangeLargeKind H2O +ExchangeSmallKind h2o +LargeKindBackBone O1 H1 +SmallKindBackBone O1 H1 + +################################ +# BOX DIMENSION #, X, Y, Z +################################ +CellBasisVector1 0 29.472 0.0 0.0 +CellBasisVector2 0 0.0 29.777 0.0 +CellBasisVector3 0 0.0 0.0 26.75 + +CellBasisVector1 1 60 0.0 0.0 +CellBasisVector2 1 0.0 60 0.0 +CellBasisVector3 1 0.0 0.0 60 + +############################## +# CBMC TRIALS +############################## +CBMC_First 3 +CBMC_Nth 2 +CBMC_Ang 50 +CBMC_Dih 1 + + +############################################################################ +# =======-------------------- OUTPUT --------------------------=========== +############################################################################ + +########################## +# statistics filename add +########################## +OutputName SPCE_PORE_10 + +##################################### +# enable, frequency +##################################### +CoordinatesFreq true 10000000 +RestartFreq true 1000000 +ConsoleFreq true 10000 +BlockAverageFreq true 100000 +HistogramFreq true 100000 + + +################################ +# OutHistSettings +################################ +DistName dis +HistName his +RunNumber 2 +RunLetter a +SampleFreq 500 + +################################## +# enable: blk avg., fluct. +################################## +OutEnergy true true +OutPressure false false +OutMolNum true true +OutDensity true true + diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r2/wp_10_2.sh b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r2/wp_10_2.sh new file mode 100644 index 0000000..aa9e30c --- /dev/null +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r2/wp_10_2.sh @@ -0,0 +1,22 @@ +#!/bin/bash + +#SBATCH --job-name 1r2 +#SBATCH -q primary +#SBATCH -N 1 +#SBATCH -n 2 +#SBATCH --mem=16G +#SBATCH --constraint=intel +#SBATCH --mail-type=ALL +#SBATCH -o output_%j.out +#SBATCH -e errors_%j.err +#SBATCH -t 336:0:0 + +echo "Running on host" hostname +echo "Time is" date + +module swap gnu7/7.3.0 intel/2019 + + +cd /home/brad/Programs/GIT_repositories/mosdef_slitpore_built_for_testing/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r2 + +GOMC_CPU_GCMC +p2 in.conf > out2a.dat diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r3/in.conf b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r3/in.conf new file mode 100644 index 0000000..3627f52 --- /dev/null +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r3/in.conf @@ -0,0 +1,164 @@ +######################## +## Init File +## +## IMPROVEMENTS +## - Compacts inputs into one line +## - Suggestion: edit inline with (insert key) +## +## To-Do +## (make editor + XML version) +######################## + +############################################################################ +# ========-------------------- INPUT --------------------------=========== +############################################################################ + +######################### +# enable, step +######################### +Restart False + +#################################### +# kind {RESTART, RANDOM, INTSEED} +#################################### +PRNG RANDOM + +#################################### +# FORCE FIELD +#################################### +ParaTypeCHARMM true +Parameters ../../build_reservior/GOMC_pore_fake_water_FF.inp + +#################################### +# INPUT PDB FILES +#################################### +Coordinates 0 ../../setup_run_NVT/Output_data_BOX_0_restart.pdb +Coordinates 1 ../../build_reservior/GOMC_reservior_fake_water_box.pdb + + +#################################### +# INPUT PSF FILES +#################################### +Structure 0 ../../setup_run_NVT/Output_data_merged.psf +Structure 1 ../../build_reservior/GOMC_reservior_fake_water_box.psf + + +############################################################################ +# =======--------------------- SYSTEM --------------------------=========== +############################################################################ + +################################## +# GEMC TYPE (DEFULT IS NVT_GEMC) +################################## + + +############################# +# SIMULATION CONDITIONS +############################# +Temperature 298 +ChemPot H2O -4972 +ChemPot h2o -10000000 +ChemPot TOP 0 +ChemPot BOT 0 +Potential VDW +LRC false +Rcut 9 +Exclude 1-4 + +############################# +# ELECTROSTATIC +############################# +ElectroStatic true +Ewald true +CachedFourier false +Tolerance 0.00001 +RcutColoumb 0 9 +#1-4scaling 1.0 + +############################### +# PR5000000URE CALCULATION +################################ +PressureCalc false + +################################ +# STEPS +################################ +RunSteps 150000000 +EqSteps 5000000 +AdjSteps 1000 + +################################ +# MOVE FREQUENCY +################################ +DisFreq 0.15 +RotFreq 0.15 +SwapFreq 0.5 +RegrowthFreq 0.2 +MEMC-2Freq 0.0 + +############################### +# MEMC PARAMETERS +############################### +ExchangeVolumeDim 1.0 1.0 1.0 +ExchangeRatio 1 +ExchangeLargeKind H2O +ExchangeSmallKind h2o +LargeKindBackBone O1 H1 +SmallKindBackBone O1 H1 + +################################ +# BOX DIMENSION #, X, Y, Z +################################ +CellBasisVector1 0 29.472 0.0 0.0 +CellBasisVector2 0 0.0 29.777 0.0 +CellBasisVector3 0 0.0 0.0 26.75 + +CellBasisVector1 1 60 0.0 0.0 +CellBasisVector2 1 0.0 60 0.0 +CellBasisVector3 1 0.0 0.0 60 + +############################## +# CBMC TRIALS +############################## +CBMC_First 3 +CBMC_Nth 2 +CBMC_Ang 50 +CBMC_Dih 1 + + +############################################################################ +# =======-------------------- OUTPUT --------------------------=========== +############################################################################ + +########################## +# statistics filename add +########################## +OutputName SPCE_PORE_10 + +##################################### +# enable, frequency +##################################### +CoordinatesFreq true 10000000 +RestartFreq true 1000000 +ConsoleFreq true 10000 +BlockAverageFreq true 100000 +HistogramFreq true 100000 + + +################################ +# OutHistSettings +################################ +DistName dis +HistName his +RunNumber 3 +RunLetter a +SampleFreq 500 + +################################## +# enable: blk avg., fluct. +################################## +OutEnergy true true +OutPressure false false +OutMolNum true true +OutDensity true true + diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r3/wp_10_3.sh b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r3/wp_10_3.sh new file mode 100644 index 0000000..35a5eda --- /dev/null +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r3/wp_10_3.sh @@ -0,0 +1,22 @@ +#!/bin/bash + +#SBATCH --job-name 1r3 +#SBATCH -q primary +#SBATCH -N 1 +#SBATCH -n 2 +#SBATCH --mem=16G +#SBATCH --constraint=intel +#SBATCH --mail-type=ALL +#SBATCH -o output_%j.out +#SBATCH -e errors_%j.err +#SBATCH -t 336:0:0 + +echo "Running on host" hostname +echo "Time is" date + +module swap gnu7/7.3.0 intel/2019 + + +cd /home/brad/Programs/GIT_repositories/mosdef_slitpore_built_for_testing/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r3 + +GOMC_CPU_GCMC +p2 in.conf > out3a.dat diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r4/in.conf b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r4/in.conf new file mode 100644 index 0000000..5633baa --- /dev/null +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r4/in.conf @@ -0,0 +1,164 @@ +######################## +## Init File +## +## IMPROVEMENTS +## - Compacts inputs into one line +## - Suggestion: edit inline with (insert key) +## +## To-Do +## (make editor + XML version) +######################## + +############################################################################ +# ========-------------------- INPUT --------------------------=========== +############################################################################ + +######################### +# enable, step +######################### +Restart False + +#################################### +# kind {RESTART, RANDOM, INTSEED} +#################################### +PRNG RANDOM + +#################################### +# FORCE FIELD +#################################### +ParaTypeCHARMM true +Parameters ../../build_reservior/GOMC_pore_fake_water_FF.inp + +#################################### +# INPUT PDB FILES +#################################### +Coordinates 0 ../../setup_run_NVT/Output_data_BOX_0_restart.pdb +Coordinates 1 ../../build_reservior/GOMC_reservior_fake_water_box.pdb + + +#################################### +# INPUT PSF FILES +#################################### +Structure 0 ../../setup_run_NVT/Output_data_merged.psf +Structure 1 ../../build_reservior/GOMC_reservior_fake_water_box.psf + + +############################################################################ +# =======--------------------- SYSTEM --------------------------=========== +############################################################################ + +################################## +# GEMC TYPE (DEFULT IS NVT_GEMC) +################################## + + +############################# +# SIMULATION CONDITIONS +############################# +Temperature 298 +ChemPot H2O -4852 +ChemPot h2o -10000000 +ChemPot TOP 0 +ChemPot BOT 0 +Potential VDW +LRC false +Rcut 9 +Exclude 1-4 + +############################# +# ELECTROSTATIC +############################# +ElectroStatic true +Ewald true +CachedFourier false +Tolerance 0.00001 +RcutColoumb 0 9 +#1-4scaling 1.0 + +############################### +# PR5000000URE CALCULATION +################################ +PressureCalc false + +################################ +# STEPS +################################ +RunSteps 150000000 +EqSteps 5000000 +AdjSteps 1000 + +################################ +# MOVE FREQUENCY +################################ +DisFreq 0.15 +RotFreq 0.15 +SwapFreq 0.5 +RegrowthFreq 0.2 +MEMC-2Freq 0.0 + +############################### +# MEMC PARAMETERS +############################### +ExchangeVolumeDim 1.0 1.0 1.0 +ExchangeRatio 1 +ExchangeLargeKind H2O +ExchangeSmallKind h2o +LargeKindBackBone O1 H1 +SmallKindBackBone O1 H1 + +################################ +# BOX DIMENSION #, X, Y, Z +################################ +CellBasisVector1 0 29.472 0.0 0.0 +CellBasisVector2 0 0.0 29.777 0.0 +CellBasisVector3 0 0.0 0.0 26.75 + +CellBasisVector1 1 60 0.0 0.0 +CellBasisVector2 1 0.0 60 0.0 +CellBasisVector3 1 0.0 0.0 60 + +############################## +# CBMC TRIALS +############################## +CBMC_First 3 +CBMC_Nth 2 +CBMC_Ang 50 +CBMC_Dih 1 + + +############################################################################ +# =======-------------------- OUTPUT --------------------------=========== +############################################################################ + +########################## +# statistics filename add +########################## +OutputName SPCE_PORE_10 + +##################################### +# enable, frequency +##################################### +CoordinatesFreq true 10000000 +RestartFreq true 1000000 +ConsoleFreq true 10000 +BlockAverageFreq true 100000 +HistogramFreq true 100000 + + +################################ +# OutHistSettings +################################ +DistName dis +HistName his +RunNumber 4 +RunLetter a +SampleFreq 500 + +################################## +# enable: blk avg., fluct. +################################## +OutEnergy true true +OutPressure false false +OutMolNum true true +OutDensity true true + diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r4/wp_10_4.sh b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r4/wp_10_4.sh new file mode 100644 index 0000000..0f3b2cb --- /dev/null +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r4/wp_10_4.sh @@ -0,0 +1,22 @@ +#!/bin/bash + +#SBATCH --job-name 1r4 +#SBATCH -q primary +#SBATCH -N 1 +#SBATCH -n 2 +#SBATCH --mem=16G +#SBATCH --constraint=intel +#SBATCH --mail-type=ALL +#SBATCH -o output_%j.out +#SBATCH -e errors_%j.err +#SBATCH -t 336:0:0 + +echo "Running on host" hostname +echo "Time is" date + +module swap gnu7/7.3.0 intel/2019 + + +cd /home/brad/Programs/GIT_repositories/mosdef_slitpore_built_for_testing/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r4 + +GOMC_CPU_GCMC +p2 in.conf > out4a.dat diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r5/in.conf b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r5/in.conf new file mode 100644 index 0000000..d9922e6 --- /dev/null +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r5/in.conf @@ -0,0 +1,164 @@ +######################## +## Init File +## +## IMPROVEMENTS +## - Compacts inputs into one line +## - Suggestion: edit inline with (insert key) +## +## To-Do +## (make editor + XML version) +######################## + +############################################################################ +# ========-------------------- INPUT --------------------------=========== +############################################################################ + +######################### +# enable, step +######################### +Restart False + +#################################### +# kind {RESTART, RANDOM, INTSEED} +#################################### +PRNG RANDOM + +#################################### +# FORCE FIELD +#################################### +ParaTypeCHARMM true +Parameters ../../build_reservior/GOMC_pore_fake_water_FF.inp + +#################################### +# INPUT PDB FILES +#################################### +Coordinates 0 ../../setup_run_NVT/Output_data_BOX_0_restart.pdb +Coordinates 1 ../../build_reservior/GOMC_reservior_fake_water_box.pdb + + +#################################### +# INPUT PSF FILES +#################################### +Structure 0 ../../setup_run_NVT/Output_data_merged.psf +Structure 1 ../../build_reservior/GOMC_reservior_fake_water_box.psf + + +############################################################################ +# =======--------------------- SYSTEM --------------------------=========== +############################################################################ + +################################## +# GEMC TYPE (DEFULT IS NVT_GEMC) +################################## + + +############################# +# SIMULATION CONDITIONS +############################# +Temperature 298 +ChemPot H2O -4731 +ChemPot h2o -10000000 +ChemPot TOP 0 +ChemPot BOT 0 +Potential VDW +LRC false +Rcut 9 +Exclude 1-4 + +############################# +# ELECTROSTATIC +############################# +ElectroStatic true +Ewald true +CachedFourier false +Tolerance 0.00001 +RcutColoumb 0 9 +#1-4scaling 1.0 + +############################### +# PR5000000URE CALCULATION +################################ +PressureCalc false + +################################ +# STEPS +################################ +RunSteps 150000000 +EqSteps 5000000 +AdjSteps 1000 + +################################ +# MOVE FREQUENCY +################################ +DisFreq 0.15 +RotFreq 0.15 +SwapFreq 0.5 +RegrowthFreq 0.2 +MEMC-2Freq 0.0 + +############################### +# MEMC PARAMETERS +############################### +ExchangeVolumeDim 1.0 1.0 1.0 +ExchangeRatio 1 +ExchangeLargeKind H2O +ExchangeSmallKind h2o +LargeKindBackBone O1 H1 +SmallKindBackBone O1 H1 + +################################ +# BOX DIMENSION #, X, Y, Z +################################ +CellBasisVector1 0 29.472 0.0 0.0 +CellBasisVector2 0 0.0 29.777 0.0 +CellBasisVector3 0 0.0 0.0 26.75 + +CellBasisVector1 1 60 0.0 0.0 +CellBasisVector2 1 0.0 60 0.0 +CellBasisVector3 1 0.0 0.0 60 + +############################## +# CBMC TRIALS +############################## +CBMC_First 3 +CBMC_Nth 2 +CBMC_Ang 50 +CBMC_Dih 1 + + +############################################################################ +# =======-------------------- OUTPUT --------------------------=========== +############################################################################ + +########################## +# statistics filename add +########################## +OutputName SPCE_PORE_10 + +##################################### +# enable, frequency +##################################### +CoordinatesFreq true 10000000 +RestartFreq true 1000000 +ConsoleFreq true 10000 +BlockAverageFreq true 100000 +HistogramFreq true 100000 + + +################################ +# OutHistSettings +################################ +DistName dis +HistName his +RunNumber 5 +RunLetter a +SampleFreq 500 + +################################## +# enable: blk avg., fluct. +################################## +OutEnergy true true +OutPressure false false +OutMolNum true true +OutDensity true true + diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r5/wp_10_5.sh b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r5/wp_10_5.sh new file mode 100644 index 0000000..820b41e --- /dev/null +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r5/wp_10_5.sh @@ -0,0 +1,22 @@ +#!/bin/bash + +#SBATCH --job-name 1r5 +#SBATCH -q primary +#SBATCH -N 1 +#SBATCH -n 2 +#SBATCH --mem=16G +#SBATCH --constraint=intel +#SBATCH --mail-type=ALL +#SBATCH -o output_%j.out +#SBATCH -e errors_%j.err +#SBATCH -t 336:0:0 + +echo "Running on host" hostname +echo "Time is" date + +module swap gnu7/7.3.0 intel/2019 + + +cd /home/brad/Programs/GIT_repositories/mosdef_slitpore_built_for_testing/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r5 + +GOMC_CPU_GCMC +p2 in.conf > out5a.dat diff --git a/simulations/Psat_SPCE_298K/gomc/set1/1r4/water_GEMC_NVT_298K.conf b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r6/in.conf similarity index 59% rename from simulations/Psat_SPCE_298K/gomc/set1/1r4/water_GEMC_NVT_298K.conf rename to simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r6/in.conf index bb4cf65..998bb0c 100644 --- a/simulations/Psat_SPCE_298K/gomc/set1/1r4/water_GEMC_NVT_298K.conf +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r6/in.conf @@ -1,5 +1,12 @@ ######################## -#Control file for Graphene-water adsorption in graphene slit +## Init File +## +## IMPROVEMENTS +## - Compacts inputs into one line +## - Suggestion: edit inline with (insert key) +## +## To-Do +## (make editor + XML version) ######################## ############################################################################ @@ -9,120 +16,114 @@ ######################### # enable, step ######################### -Restart false +Restart False #################################### # kind {RESTART, RANDOM, INTSEED} #################################### -PRNG RANDOM +PRNG RANDOM #################################### # FORCE FIELD #################################### ParaTypeCHARMM true +Parameters ../../build_reservior/GOMC_pore_fake_water_FF.inp -Parameters ../../Generate_liq_vap_boxes/GOMC_water_fake_water_FF.inp #################################### # INPUT PDB FILES #################################### -Coordinates 0 ../../equilb_liq_box/NPT/Output_data_BOX_0_restart.pdb -Coordinates 1 ../../Generate_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.pdb +Coordinates 0 ../../setup_run_NVT/Output_data_BOX_0_restart.pdb +Coordinates 1 ../../build_reservior/GOMC_reservior_fake_water_box.pdb + #################################### # INPUT PSF FILES #################################### -Structure 0 ../../equilb_liq_box/NPT/Output_data_merged.psf -Structure 1 ../../Generate_liq_vap_boxes/Box_1_vap_water_600A_L_cubed_box.psf - +Structure 0 ../../setup_run_NVT/Output_data_merged.psf +Structure 1 ../../build_reservior/GOMC_reservior_fake_water_box.psf ############################################################################ # =======--------------------- SYSTEM --------------------------=========== ############################################################################ + ################################## # GEMC TYPE (DEFULT IS NVT_GEMC) ################################## -GEMC NVT + ############################# -# SIMULATION CONDITION +# SIMULATION CONDITIONS ############################# Temperature 298 +ChemPot H2O -4611 +ChemPot h2o -2000 +ChemPot TOP 0 +ChemPot BOT 0 Potential VDW LRC false Rcut 9 -RcutLow 1.2 -Exclude 1-4 +Exclude 1-4 ############################# # ELECTROSTATIC ############################# -Ewald true ElectroStatic true +Ewald true CachedFourier false -Tolerance 0.00001 -1-4scaling false - -RcutCoulomb 0 9 -RcutCoulomb 1 120 +Tolerance 0.00001 +RcutColoumb 0 9 +#1-4scaling 1.0 ############################### -# PRESSURE CALCULATION -################################ -PressureCalc true 5000 +# PR5000000URE CALCULATION +################################ +PressureCalc false ################################ # STEPS ################################ -RunSteps 60000000 -EqSteps 10000000 -AdjSteps 1000 - +RunSteps 50000000 +EqSteps 5000000 +AdjSteps 1000 ################################ # MOVE FREQUENCY ################################ - -VolFreq 0.01 -MultiParticleFreq 0.02 -DisFreq 0.17 -RotFreq 0.20 -RegrowthFreq 0.20 -#IntraMEMC-2Freq 0.10 -IntraSwapFreq 0.20 -#MEMC-2Freq 0.20 -SwapFreq 0.20 +DisFreq 0.15 +RotFreq 0.15 +SwapFreq 0.4 +RegrowthFreq 0.1 +MEMC-2Freq 0.2 ############################### -# MEMC PARAMETER +# MEMC PARAMETERS ############################### ExchangeVolumeDim 1.0 1.0 1.0 -ExchangeRatio 1 -ExchangeLargeKind H2O -ExchangeSmallKind h2o -LargeKindBackBone O1 H1 -SmallKindBackBone O1 H1 +ExchangeRatio 1 +ExchangeLargeKind H2O +ExchangeSmallKind h2o +LargeKindBackBone O1 H1 +SmallKindBackBone O1 H1 ################################ # BOX DIMENSION #, X, Y, Z ################################ -CellBasisVector1 0 31.798 0.00 0.00 -CellBasisVector2 0 0.00 31.798 0.00 -CellBasisVector3 0 0.00 0.00 31.798 - -CellBasisVector1 1 600.0 0.00 0.00 -CellBasisVector2 1 0.00 600.0 0.00 -CellBasisVector3 1 0.00 0.00 600.0 - +CellBasisVector1 0 29.472 0.0 0.0 +CellBasisVector2 0 0.0 29.777 0.0 +CellBasisVector3 0 0.0 0.0 26.75 +CellBasisVector1 1 60 0.0 0.0 +CellBasisVector2 1 0.0 60 0.0 +CellBasisVector3 1 0.0 0.0 60 ############################## # CBMC TRIALS ############################## -CBMC_First 16 +CBMC_First 16 CBMC_Nth 8 -CBMC_Ang 100 -CBMC_Dih 100 +CBMC_Ang 50 +CBMC_Dih 1 ############################################################################ @@ -132,24 +133,24 @@ CBMC_Dih 100 ########################## # statistics filename add ########################## -OutputName Output_data +OutputName SPCE_PORE_10 ##################################### # enable, frequency ##################################### -RestartFreq true 1000000 -CheckpointFreq true 1000000 -CoordinatesFreq true 100000 -ConsoleFreq true 5000 -BlockAverageFreq true 5000 -HistogramFreq true 5000 +CoordinatesFreq true 10000000 +RestartFreq true 1000000 +ConsoleFreq true 10000 +BlockAverageFreq true 100000 +HistogramFreq true 100000 + ################################ # OutHistSettings ################################ DistName dis HistName his -RunNumber 1 +RunNumber 6 RunLetter a SampleFreq 500 @@ -157,9 +158,7 @@ SampleFreq 500 # enable: blk avg., fluct. ################################## OutEnergy true true -OutPressure true true +OutPressure false false OutMolNum true true -OutDensity true true -OutVolume true true -OutSurfaceTention false false +OutDensity true true diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r6/wp_10_6.sh b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r6/wp_10_6.sh new file mode 100644 index 0000000..8010ff4 --- /dev/null +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r6/wp_10_6.sh @@ -0,0 +1,22 @@ +#!/bin/bash + +#SBATCH --job-name 1r6 +#SBATCH -q primary +#SBATCH -N 1 +#SBATCH -n 4 +#SBATCH --mem=16G +#SBATCH --constraint=intel +#SBATCH --mail-type=ALL +#SBATCH -o output_%j.out +#SBATCH -e errors_%j.err +#SBATCH -t 336:0:0 + +echo "Running on host" hostname +echo "Time is" date + +module swap gnu7/7.3.0 intel/2019 + + +cd /home/brad/Programs/GIT_repositories/mosdef_slitpore_built_for_testing/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r6 + +GOMC_CPU_GCMC +p4 in.conf > out6a.dat diff --git a/simulations/NVT/3x3x2.0nm_3-layer/gomc/slit_water_NVT.conf b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r7/in.conf similarity index 59% rename from simulations/NVT/3x3x2.0nm_3-layer/gomc/slit_water_NVT.conf rename to simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r7/in.conf index 8659f49..678b550 100644 --- a/simulations/NVT/3x3x2.0nm_3-layer/gomc/slit_water_NVT.conf +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r7/in.conf @@ -1,5 +1,12 @@ ######################## -#Control file for Graphene-water adsorption in graphene slit +## Init File +## +## IMPROVEMENTS +## - Compacts inputs into one line +## - Suggestion: edit inline with (insert key) +## +## To-Do +## (make editor + XML version) ######################## ############################################################################ @@ -9,110 +16,114 @@ ######################### # enable, step ######################### -Restart true +Restart False #################################### # kind {RESTART, RANDOM, INTSEED} #################################### -PRNG RANDOM +PRNG RANDOM #################################### # FORCE FIELD #################################### ParaTypeCHARMM true +Parameters ../../build_reservior/GOMC_pore_fake_water_FF.inp -Parameters NVT_build/GOMC_pore_fake_water_FF.inp #################################### # INPUT PDB FILES #################################### +Coordinates 0 ../../setup_run_NVT/Output_data_BOX_0_restart.pdb +Coordinates 1 ../../build_reservior/GOMC_reservior_fake_water_box.pdb + -Coordinates 0 NVT_build/filled_pore_fake_water_3x3x2.0nm_3-layer.pdb #################################### # INPUT PSF FILES #################################### - -Structure 0 NVT_build/filled_pore_fake_water_3x3x2.0nm_3-layer.psf - - +Structure 0 ../../setup_run_NVT/Output_data_merged.psf +Structure 1 ../../build_reservior/GOMC_reservior_fake_water_box.psf ############################################################################ # =======--------------------- SYSTEM --------------------------=========== ############################################################################ + ################################## # GEMC TYPE (DEFULT IS NVT_GEMC) ################################## + ############################# -# SIMULATION CONDITION +# SIMULATION CONDITIONS ############################# -Temperature 298 +Temperature 298 +ChemPot H2O -4491 +ChemPot h2o -1800 +ChemPot TOP 0 +ChemPot BOT 0 Potential VDW LRC false Rcut 9 -Exclude 1-4 +Exclude 1-4 ############################# # ELECTROSTATIC ############################# -Ewald true ElectroStatic true +Ewald true CachedFourier false Tolerance 0.00001 -1-4scaling 1.0 - -RcutCoulomb 0 9 - +RcutColoumb 0 9 +#1-4scaling 1.0 ############################### -# PRESSURE CALCULATION -################################ -PressureCalc true 1000000 +# PR5000000URE CALCULATION +################################ +PressureCalc false ################################ # STEPS ################################ -RunSteps 10000000 -EqSteps 1000000 -AdjSteps 1000 +RunSteps 50000000 +EqSteps 5000000 +AdjSteps 1000 ################################ # MOVE FREQUENCY ################################ - DisFreq 0.15 -RotFreq 0.15 -IntraMEMC-2Freq 0.35 -RegrowthFreq 0.35 - +RotFreq 0.15 +SwapFreq 0.4 +RegrowthFreq 0.1 +MEMC-2Freq 0.2 ############################### -# MEMC PARAMETER +# MEMC PARAMETERS ############################### ExchangeVolumeDim 1.0 1.0 1.0 -ExchangeRatio 1 1 -ExchangeLargeKind H2O h2o -ExchangeSmallKind h2o H2O -LargeKindBackBone O1 H1 O1 H1 -SmallKindBackBone O1 H1 O1 H1 +ExchangeRatio 1 +ExchangeLargeKind H2O +ExchangeSmallKind h2o +LargeKindBackBone O1 H1 +SmallKindBackBone O1 H1 ################################ # BOX DIMENSION #, X, Y, Z ################################ -CellBasisVector1 0 29.472 0.00 0.00 #29.472 -CellBasisVector2 0 0.00 29.777 0.00 #29.777 -CellBasisVector3 0 0.00 0.00 36.750 # = 36.750 - - +CellBasisVector1 0 29.472 0.0 0.0 +CellBasisVector2 0 0.0 29.777 0.0 +CellBasisVector3 0 0.0 0.0 26.75 +CellBasisVector1 1 60 0.0 0.0 +CellBasisVector2 1 0.0 60 0.0 +CellBasisVector3 1 0.0 0.0 60 ############################## # CBMC TRIALS ############################## -CBMC_First 16 +CBMC_First 16 CBMC_Nth 8 -CBMC_Ang 100 -CBMC_Dih 100 +CBMC_Ang 50 +CBMC_Dih 1 ############################################################################ @@ -122,26 +133,32 @@ CBMC_Dih 100 ########################## # statistics filename add ########################## -OutputName Output_data +OutputName SPCE_PORE_10 ##################################### # enable, frequency ##################################### -RestartFreq true 1000000 -CheckpointFreq true 1000000 -CoordinatesFreq true 1000000 -ConsoleFreq true 200000 -BlockAverageFreq true 1000000 -HistogramFreq true 200000 +CoordinatesFreq true 10000000 +RestartFreq true 1000000 +ConsoleFreq true 10000 +BlockAverageFreq true 100000 +HistogramFreq true 100000 + +################################ +# OutHistSettings +################################ +DistName dis +HistName his +RunNumber 7 +RunLetter a +SampleFreq 500 ################################## # enable: blk avg., fluct. ################################## OutEnergy true true -OutPressure true true +OutPressure false false OutMolNum true true -OutDensity true true -OutVolume true true -OutSurfaceTention false false +OutDensity true true diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r7/wp_10_7.sh b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r7/wp_10_7.sh new file mode 100644 index 0000000..06bd0c6 --- /dev/null +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r7/wp_10_7.sh @@ -0,0 +1,22 @@ +#!/bin/bash + +#SBATCH --job-name 1r7 +#SBATCH -q primary +#SBATCH -N 1 +#SBATCH -n 4 +#SBATCH --mem=16G +#SBATCH --constraint=intel +#SBATCH --mail-type=ALL +#SBATCH -o output_%j.out +#SBATCH -e errors_%j.err +#SBATCH -t 336:0:0 + +echo "Running on host" hostname +echo "Time is" date + +module swap gnu7/7.3.0 intel/2019 + + +cd /home/brad/Programs/GIT_repositories/mosdef_slitpore_built_for_testing/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r7 + +GOMC_CPU_GCMC +p4 in.conf > out7a.dat diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r8/in.conf b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r8/in.conf new file mode 100644 index 0000000..058d695 --- /dev/null +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r8/in.conf @@ -0,0 +1,164 @@ +######################## +## Init File +## +## IMPROVEMENTS +## - Compacts inputs into one line +## - Suggestion: edit inline with (insert key) +## +## To-Do +## (make editor + XML version) +######################## + +############################################################################ +# ========-------------------- INPUT --------------------------=========== +############################################################################ + +######################### +# enable, step +######################### +Restart False + +#################################### +# kind {RESTART, RANDOM, INTSEED} +#################################### +PRNG RANDOM + +#################################### +# FORCE FIELD +#################################### +ParaTypeCHARMM true +Parameters ../../build_reservior/GOMC_pore_fake_water_FF.inp + +#################################### +# INPUT PDB FILES +#################################### +Coordinates 0 ../../setup_run_NVT/Output_data_BOX_0_restart.pdb +Coordinates 1 ../../build_reservior/GOMC_reservior_fake_water_box.pdb + + +#################################### +# INPUT PSF FILES +#################################### +Structure 0 ../../setup_run_NVT/Output_data_merged.psf +Structure 1 ../../build_reservior/GOMC_reservior_fake_water_box.psf + + +############################################################################ +# =======--------------------- SYSTEM --------------------------=========== +############################################################################ + +################################## +# GEMC TYPE (DEFULT IS NVT_GEMC) +################################## + + +############################# +# SIMULATION CONDITIONS +############################# +Temperature 298 +ChemPot H2O -4130 +ChemPot h2o -1500 +ChemPot TOP 0 +ChemPot BOT 0 +Potential VDW +LRC false +Rcut 9 +Exclude 1-4 + +############################# +# ELECTROSTATIC +############################# +ElectroStatic true +Ewald true +CachedFourier false +Tolerance 0.00001 +RcutColoumb 0 9 +#1-4scaling 1.0 + +############################### +# PR5000000URE CALCULATION +################################ +PressureCalc false + +################################ +# STEPS +################################ +RunSteps 50000000 +EqSteps 5000000 +AdjSteps 1000 + +################################ +# MOVE FREQUENCY +################################ +DisFreq 0.15 +RotFreq 0.15 +SwapFreq 0.4 +RegrowthFreq 0.1 +MEMC-2Freq 0.2 + +############################### +# MEMC PARAMETERS +############################### +ExchangeVolumeDim 1.0 1.0 1.0 +ExchangeRatio 1 +ExchangeLargeKind H2O +ExchangeSmallKind h2o +LargeKindBackBone O1 H1 +SmallKindBackBone O1 H1 + +################################ +# BOX DIMENSION #, X, Y, Z +################################ +CellBasisVector1 0 29.472 0.0 0.0 +CellBasisVector2 0 0.0 29.777 0.0 +CellBasisVector3 0 0.0 0.0 26.75 + +CellBasisVector1 1 60 0.0 0.0 +CellBasisVector2 1 0.0 60 0.0 +CellBasisVector3 1 0.0 0.0 60 + +############################## +# CBMC TRIALS +############################## +CBMC_First 16 +CBMC_Nth 8 +CBMC_Ang 50 +CBMC_Dih 1 + + +############################################################################ +# =======-------------------- OUTPUT --------------------------=========== +############################################################################ + +########################## +# statistics filename add +########################## +OutputName SPCE_PORE_10 + +##################################### +# enable, frequency +##################################### +CoordinatesFreq true 10000000 +RestartFreq true 1000000 +ConsoleFreq true 10000 +BlockAverageFreq true 100000 +HistogramFreq true 100000 + + +################################ +# OutHistSettings +################################ +DistName dis +HistName his +RunNumber 8 +RunLetter a +SampleFreq 500 + +################################## +# enable: blk avg., fluct. +################################## +OutEnergy true true +OutPressure false false +OutMolNum true true +OutDensity true true + diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r8/wp_10_8.sh b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r8/wp_10_8.sh new file mode 100644 index 0000000..a641463 --- /dev/null +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r8/wp_10_8.sh @@ -0,0 +1,22 @@ +#!/bin/bash + +#SBATCH --job-name 1r8 +#SBATCH -q primary +#SBATCH -N 1 +#SBATCH -n 4 +#SBATCH --mem=16G +#SBATCH --constraint=intel +#SBATCH --mail-type=ALL +#SBATCH -o output_%j.out +#SBATCH -e errors_%j.err +#SBATCH -t 336:0:0 + +echo "Running on host" hostname +echo "Time is" date + +module swap gnu7/7.3.0 intel/2019 + + +cd /home/brad/Programs/GIT_repositories/mosdef_slitpore_built_for_testing/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/1r8 + +GOMC_CPU_GCMC +p4 in.conf > out8a.dat diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/simbuild.py b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/simbuild.py index 7493b78..eebf368 100644 --- a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/simbuild.py +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1/simbuild.py @@ -7,56 +7,123 @@ -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +#********************************************************* +# data to change if needed (start) +#********************************************************* + +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' + +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string - NCPU = Ncores - NTASK = 2 +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - slurm = "#PBS" +#********************************************************* +# data to change if needed (end) +#********************************************************* + +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate + + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + + + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') +else: + prog = executable_file +goto_directory = os.getcwd() +server_run_directory = goto_directory -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/set1' job_name='wp_10' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters= '../../build_reservior/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_10' RSF='false' #init_pdb=[" ", " "] @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_reservior/pore_3x3x1.0nm_3-layer.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_reservior/pore_3x3x1.0nm_3-layer.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../setup_run_NVT/Output_data_BOX_0_restart.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../setup_run_NVT/Output_data_merged.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -176,9 +243,9 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p2 in.conf > out' + str(runs[irun]) + 'a.dat' Ncores = 2 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set2/simbuild.py b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set2/simbuild.py index 377177a..eebf368 100644 --- a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set2/simbuild.py +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set2/simbuild.py @@ -7,56 +7,123 @@ -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +#********************************************************* +# data to change if needed (start) +#********************************************************* + +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' + +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string - NCPU = Ncores - NTASK = 2 +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - slurm = "#PBS" +#********************************************************* +# data to change if needed (end) +#********************************************************* + +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate + + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + + + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') +else: + prog = executable_file +goto_directory = os.getcwd() +server_run_directory = goto_directory -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/set2' job_name='wp_10' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters= '../../build_reservior/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_10' RSF='false' #init_pdb=[" ", " "] @@ -66,10 +133,10 @@ def write_slurm(file_out, task, Ncores,server_run_directory): resname = ['H2O','h2o','TOP', 'BOT'] runs = [1, 2, 3, 4, 5, 6, 7, 8] temp = [298, 298, 298, 298, 298, 298, 298, 298] -mus1 = [-5934, -5573, -4972, -4852, -4731, -4611, -4491, -4130] -mus2 = [-10000000, -10000000, -10000000, -2000, -1900, -1800, -1600, -1300] #[-10000000, -10000000, -10000000, -2300, -1900, -1800, ( -1700~to low, 1500~8), -1300] +mus1 = [-5934, -5573, -4972, -4852, -4731, -4611, -4491, -4130] +mus2 = [-10000000, -10000000, -10000000, -10000000, -10000000, -2000, -1800, -1500] mus3 = [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] -phase= ['v', 'v', 'v', 'l', 'l', 'l', 'l', 'l'] +phase= ['v', 'v', 'v', 'v', 'v', 'l', 'l', 'l'] restart=[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] adsorption_or_desorption = 'des' # 'ads' or 'des' @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_reservior/pore_3x3x1.0nm_3-layer.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_reservior/pore_3x3x1.0nm_3-layer.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../setup_run_NVT/Output_data_BOX_0_restart.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../setup_run_NVT/Output_data_merged.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -176,9 +243,9 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p2 in.conf > out' + str(runs[irun]) + 'a.dat' Ncores = 2 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set3/simbuild.py b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set3/simbuild.py index 96fa301..eebf368 100644 --- a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set3/simbuild.py +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set3/simbuild.py @@ -7,56 +7,123 @@ -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +#********************************************************* +# data to change if needed (start) +#********************************************************* + +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' + +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string - NCPU = Ncores - NTASK = 2 +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - slurm = "#PBS" +#********************************************************* +# data to change if needed (end) +#********************************************************* + +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate + + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + + + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') +else: + prog = executable_file +goto_directory = os.getcwd() +server_run_directory = goto_directory -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/set3' job_name='wp_10' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters= '../../build_reservior/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_10' RSF='false' #init_pdb=[" ", " "] @@ -66,10 +133,10 @@ def write_slurm(file_out, task, Ncores,server_run_directory): resname = ['H2O','h2o','TOP', 'BOT'] runs = [1, 2, 3, 4, 5, 6, 7, 8] temp = [298, 298, 298, 298, 298, 298, 298, 298] -mus1 = [-5934, -5573, -4972, -4852, -4731, -4611, -4491, -4130] -mus2 = [-10000000, -10000000, -10000000, -2000, -1900, -1800, -1600, -1300] #[-10000000, -10000000, -10000000, -2300, -1900, -1800, ( -1700~to low, 1500~8), -1300] +mus1 = [-5934, -5573, -4972, -4852, -4731, -4611, -4491, -4130] +mus2 = [-10000000, -10000000, -10000000, -10000000, -10000000, -2000, -1800, -1500] mus3 = [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] -phase= ['v', 'v', 'v', 'l', 'l', 'l', 'l', 'l'] +phase= ['v', 'v', 'v', 'v', 'v', 'l', 'l', 'l'] restart=[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] adsorption_or_desorption = 'des' # 'ads' or 'des' @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_reservior/pore_3x3x1.0nm_3-layer.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_reservior/pore_3x3x1.0nm_3-layer.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../setup_run_NVT/Output_data_BOX_0_restart.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../setup_run_NVT/Output_data_merged.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -176,9 +243,9 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p2 in.conf > out' + str(runs[irun]) + 'a.dat' Ncores = 2 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set4/simbuild.py b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set4/simbuild.py index 5ad454f..eebf368 100644 --- a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set4/simbuild.py +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set4/simbuild.py @@ -7,56 +7,123 @@ -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +#********************************************************* +# data to change if needed (start) +#********************************************************* + +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' + +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string - NCPU = Ncores - NTASK = 2 +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - slurm = "#PBS" +#********************************************************* +# data to change if needed (end) +#********************************************************* + +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate + + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + + + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') +else: + prog = executable_file +goto_directory = os.getcwd() +server_run_directory = goto_directory -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/set4' job_name='wp_10' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters= '../../build_reservior/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_10' RSF='false' #init_pdb=[" ", " "] @@ -66,10 +133,10 @@ def write_slurm(file_out, task, Ncores,server_run_directory): resname = ['H2O','h2o','TOP', 'BOT'] runs = [1, 2, 3, 4, 5, 6, 7, 8] temp = [298, 298, 298, 298, 298, 298, 298, 298] -mus1 = [-5934, -5573, -4972, -4852, -4731, -4611, -4491, -4130] -mus2 = [-10000000, -10000000, -10000000, -2000, -1900, -1800, -1600, -1300] #[-10000000, -10000000, -10000000, -2300, -1900, -1800, ( -1700~to low, 1500~8), -1300] +mus1 = [-5934, -5573, -4972, -4852, -4731, -4611, -4491, -4130] +mus2 = [-10000000, -10000000, -10000000, -10000000, -10000000, -2000, -1800, -1500] mus3 = [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] -phase= ['v', 'v', 'v', 'l', 'l', 'l', 'l', 'l'] +phase= ['v', 'v', 'v', 'v', 'v', 'l', 'l', 'l'] restart=[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] adsorption_or_desorption = 'des' # 'ads' or 'des' @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_reservior/pore_3x3x1.0nm_3-layer.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_reservior/pore_3x3x1.0nm_3-layer.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../setup_run_NVT/Output_data_BOX_0_restart.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../setup_run_NVT/Output_data_merged.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -176,9 +243,9 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p2 in.conf > out' + str(runs[irun]) + 'a.dat' Ncores = 2 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set5/simbuild.py b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set5/simbuild.py index 287d2fd..eebf368 100644 --- a/simulations/desorption/3x3x1.0nm_3-layer/gomc/set5/simbuild.py +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/set5/simbuild.py @@ -7,56 +7,123 @@ -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +#********************************************************* +# data to change if needed (start) +#********************************************************* + +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' + +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string - NCPU = Ncores - NTASK = 2 +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - slurm = "#PBS" +#********************************************************* +# data to change if needed (end) +#********************************************************* + +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate + + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + + + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') +else: + prog = executable_file +goto_directory = os.getcwd() +server_run_directory = goto_directory -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/desorption/3x3x1.0nm_3-layer/gomc/set5' job_name='wp_10' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters= '../../build_reservior/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_10' RSF='false' #init_pdb=[" ", " "] @@ -66,10 +133,10 @@ def write_slurm(file_out, task, Ncores,server_run_directory): resname = ['H2O','h2o','TOP', 'BOT'] runs = [1, 2, 3, 4, 5, 6, 7, 8] temp = [298, 298, 298, 298, 298, 298, 298, 298] -mus1 = [-5934, -5573, -4972, -4852, -4731, -4611, -4491, -4130] -mus2 = [-10000000, -10000000, -10000000, -2000, -1900, -1800, -1600, -1300] #[-10000000, -10000000, -10000000, -2300, -1900, -1800, ( -1700~to low, 1500~8), -1300] +mus1 = [-5934, -5573, -4972, -4852, -4731, -4611, -4491, -4130] +mus2 = [-10000000, -10000000, -10000000, -10000000, -10000000, -2000, -1800, -1500] mus3 = [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] -phase= ['v', 'v', 'v', 'l', 'l', 'l', 'l', 'l'] +phase= ['v', 'v', 'v', 'v', 'v', 'l', 'l', 'l'] restart=[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] adsorption_or_desorption = 'des' # 'ads' or 'des' @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.0nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_reservior/pore_3x3x1.0nm_3-layer.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_reservior/pore_3x3x1.0nm_3-layer.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.0nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../setup_run_NVT/Output_data_BOX_0_restart.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../setup_run_NVT/Output_data_merged.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -176,9 +243,9 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p2 in.conf > out' + str(runs[irun]) + 'a.dat' Ncores = 2 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') diff --git a/simulations/equilb_boxes/3x3x1.0nm_3-layer/gomc/u_n_3769/slit_water_GCMC.conf b/simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_high_P_div_Po/u_n_3769/slit_water_GCMC.conf similarity index 91% rename from simulations/equilb_boxes/3x3x1.0nm_3-layer/gomc/u_n_3769/slit_water_GCMC.conf rename to simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_high_P_div_Po/u_n_3769/slit_water_GCMC.conf index fc2cb19..95148fb 100644 --- a/simulations/equilb_boxes/3x3x1.0nm_3-layer/gomc/u_n_3769/slit_water_GCMC.conf +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_high_P_div_Po/u_n_3769/slit_water_GCMC.conf @@ -21,19 +21,19 @@ PRNG RANDOM #################################### ParaTypeCHARMM true -Parameters ../../../../ads_equilb_pdb_psf_FF/gomc/GOMC_pore_water_FF.inp +Parameters ../../build_reservior/GOMC_pore_water_FF.inp #################################### # INPUT PDB FILES #################################### -Coordinates 0 ../../../../ads_equilb_pdb_psf_FF/gomc/pore_3x3x1.0nm_3-layer.pdb -Coordinates 1 ../../../../ads_equilb_pdb_psf_FF/gomc/GOMC_reservior_box.pdb +Coordinates 0 ../../build_reservior/pore_3x3x1.0nm_3-layer.pdb +Coordinates 1 ../../build_reservior/GOMC_reservior_box.pdb #################################### # INPUT PSF FILES #################################### -Structure 0 ../../../../ads_equilb_pdb_psf_FF/gomc/pore_3x3x1.0nm_3-layer.psf -Structure 1 ../../../../ads_equilb_pdb_psf_FF/gomc/GOMC_reservior_box.psf +Structure 0 ../../build_reservior/pore_3x3x1.0nm_3-layer.psf +Structure 1 ../../build_reservior/GOMC_reservior_box.psf diff --git a/simulations/NVT/3x3x1.0nm_3-layer/gomc/Blk_Output_data_BOX_0.dat b/simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_run_NVT/Blk_Output_data_BOX_0.dat similarity index 100% rename from simulations/NVT/3x3x1.0nm_3-layer/gomc/Blk_Output_data_BOX_0.dat rename to simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_run_NVT/Blk_Output_data_BOX_0.dat diff --git a/simulations/NVT/3x3x1.0nm_3-layer/gomc/NVT_build/build_NVT_pore_3x3x1.0nm_3-layer.py b/simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_run_NVT/NVT_build/build_NVT_pore_3x3x1.0nm_3-layer.py similarity index 76% rename from simulations/NVT/3x3x1.0nm_3-layer/gomc/NVT_build/build_NVT_pore_3x3x1.0nm_3-layer.py rename to simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_run_NVT/NVT_build/build_NVT_pore_3x3x1.0nm_3-layer.py index 3b72c29..148c341 100644 --- a/simulations/NVT/3x3x1.0nm_3-layer/gomc/NVT_build/build_NVT_pore_3x3x1.0nm_3-layer.py +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_run_NVT/NVT_build/build_NVT_pore_3x3x1.0nm_3-layer.py @@ -1,14 +1,16 @@ -from mbuild.recipes.porebuilder import GraphenePore +from mbuild import recipes import mbuild as mb from foyer import Forcefield -import mbuild.formats.charmm_writer as mf_charmm +import sys +sys.path.append('../../../../../../') +from mosdef_slitpore.utils import charmm_writer as mf_charmm Water_res_name = 'H2O' Fake_water_res_name = 'h2o' -FF_file = '../../../../../mosdef_slitpore/ffxml/pore-spce.xml' -FF_file_fake_water = '../../../../../mosdef_slitpore/ffxml/FF_Fake_SPCE.xml' +FF_file = '../../../../../../mosdef_slitpore/ffxml/pore-spce.xml' +FF_file_fake_water = '../../../../../../mosdef_slitpore/ffxml/FF_Fake_SPCE.xml' @@ -16,11 +18,11 @@ water.name = Water_res_name print('water.name = '+str(water.name)) -water.energy_minimization(forcefield = FF_file , steps=10**9) +water.energy_minimize(forcefield = FF_file , steps=10**9) Fake_water = mb.load('O', smiles=True) Fake_water.name = Fake_water_res_name -Fake_water.energy_minimization(forcefield = FF_file_fake_water , steps=10**9) +Fake_water.energy_minimize(forcefield = FF_file_fake_water , steps=10**9) FF_Graphene_pore_w_solvent_fake_water_Dict = {'H2O' : FF_file, 'h2o' : FF_file_fake_water , 'BOT': FF_file, 'TOP': FF_file} @@ -56,7 +58,7 @@ #for GOMC, currently we need to add the space at the end of the simulation # this does not matter as we are using PBC's -empty_graphene_pore = GraphenePore( +empty_graphene_pore =recipes.GraphenePore( pore_width=sheet_spacing , pore_length=3.0, pore_depth=3.0, @@ -86,13 +88,13 @@ mf_charmm.charmm_psf_psb_FF(filled_pore, - 'filled_pore_fake_water_3x3x1.0nm_3-layer', - structure_1 =box_reservior_w_fake_water , - filename_1 = 'GOMC_reservior_fake_water_box', - GOMC_FF_filename ="GOMC_pore_fake_water_FF" , - forcefield_files= FF_Graphene_pore_w_solvent_fake_water_Dict , - residues= residues_Graphene_pore_w_solvent_fake_water_List , - Bead_to_atom_name_dict = None, + 'filled_pore_fake_water_3x3x1.0nm_3-layer', + structure_1 =box_reservior_w_fake_water , + filename_1 = 'GOMC_reservior_fake_water_box', + FF_filename ="GOMC_pore_fake_water_FF" , + forcefield_files= FF_Graphene_pore_w_solvent_fake_water_Dict , + residues= residues_Graphene_pore_w_solvent_fake_water_List , + Bead_to_atom_name_dict = None, fix_residue = Fix_Graphene_residue, fix_res_bonds_angles = Fix_bonds_angles_fake_water_residues, reorder_res_in_pdb_psf = False diff --git a/simulations/NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb b/simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_run_NVT/Output_data_BOX_0_restart.pdb similarity index 100% rename from simulations/NVT/3x3x1.0nm_3-layer/gomc/Output_data_BOX_0_restart.pdb rename to simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_run_NVT/Output_data_BOX_0_restart.pdb diff --git a/simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_run_NVT/Output_data_merged.psf b/simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_run_NVT/Output_data_merged.psf new file mode 100644 index 0000000..08f48f0 --- /dev/null +++ b/simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_run_NVT/Output_data_merged.psf @@ -0,0 +1,2826 @@ +PSF + + 2 !NTITLE + REMARKS Combined PSF produced by GOMC + REMARKS Contains Geometry data for molecules in ALL boxes in the system + + 2637 !NATOM + 1 TOP 1 TOP C1 B 0.000000 12.0108 0 + 2 TOP 1 TOP C2 B 0.000000 12.0108 0 + 3 TOP 1 TOP C3 B 0.000000 12.0108 0 + 4 TOP 1 TOP C4 B 0.000000 12.0108 0 + 5 TOP 1 TOP C5 B 0.000000 12.0108 0 + 6 TOP 1 TOP C6 B 0.000000 12.0108 0 + 7 TOP 1 TOP C7 B 0.000000 12.0108 0 + 8 TOP 1 TOP C8 B 0.000000 12.0108 0 + 9 TOP 1 TOP C9 B 0.000000 12.0108 0 + 10 TOP 1 TOP CA B 0.000000 12.0108 0 + 11 TOP 1 TOP CB B 0.000000 12.0108 0 + 12 TOP 1 TOP CC B 0.000000 12.0108 0 + 13 TOP 1 TOP CD B 0.000000 12.0108 0 + 14 TOP 1 TOP CE B 0.000000 12.0108 0 + 15 TOP 1 TOP CF B 0.000000 12.0108 0 + 16 TOP 1 TOP CG B 0.000000 12.0108 0 + 17 TOP 1 TOP CH B 0.000000 12.0108 0 + 18 TOP 1 TOP CI B 0.000000 12.0108 0 + 19 TOP 1 TOP CJ B 0.000000 12.0108 0 + 20 TOP 1 TOP CK B 0.000000 12.0108 0 + 21 TOP 1 TOP CL B 0.000000 12.0108 0 + 22 TOP 1 TOP CM B 0.000000 12.0108 0 + 23 TOP 1 TOP CN B 0.000000 12.0108 0 + 24 TOP 1 TOP CO B 0.000000 12.0108 0 + 25 TOP 1 TOP CP B 0.000000 12.0108 0 + 26 TOP 1 TOP CQ B 0.000000 12.0108 0 + 27 TOP 1 TOP CR B 0.000000 12.0108 0 + 28 TOP 1 TOP CS B 0.000000 12.0108 0 + 29 TOP 1 TOP CT B 0.000000 12.0108 0 + 30 TOP 1 TOP CU B 0.000000 12.0108 0 + 31 TOP 1 TOP CV B 0.000000 12.0108 0 + 32 TOP 1 TOP CW B 0.000000 12.0108 0 + 33 TOP 1 TOP CX B 0.000000 12.0108 0 + 34 TOP 1 TOP CY B 0.000000 12.0108 0 + 35 TOP 1 TOP CZ B 0.000000 12.0108 0 + 36 TOP 1 TOP Ca B 0.000000 12.0108 0 + 37 TOP 1 TOP Cb B 0.000000 12.0108 0 + 38 TOP 1 TOP Cc B 0.000000 12.0108 0 + 39 TOP 1 TOP Cd B 0.000000 12.0108 0 + 40 TOP 1 TOP Ce B 0.000000 12.0108 0 + 41 TOP 1 TOP Cf B 0.000000 12.0108 0 + 42 TOP 1 TOP Cg B 0.000000 12.0108 0 + 43 TOP 1 TOP Ch B 0.000000 12.0108 0 + 44 TOP 1 TOP Ci B 0.000000 12.0108 0 + 45 TOP 1 TOP Cj B 0.000000 12.0108 0 + 46 TOP 1 TOP Ck B 0.000000 12.0108 0 + 47 TOP 1 TOP Cl B 0.000000 12.0108 0 + 48 TOP 1 TOP Cm B 0.000000 12.0108 0 + 49 TOP 1 TOP Cn B 0.000000 12.0108 0 + 50 TOP 1 TOP Co B 0.000000 12.0108 0 + 51 TOP 1 TOP Cp B 0.000000 12.0108 0 + 52 TOP 1 TOP Cq B 0.000000 12.0108 0 + 53 TOP 1 TOP Cr B 0.000000 12.0108 0 + 54 TOP 1 TOP Cs B 0.000000 12.0108 0 + 55 TOP 1 TOP Ct B 0.000000 12.0108 0 + 56 TOP 1 TOP Cu B 0.000000 12.0108 0 + 57 TOP 1 TOP Cv B 0.000000 12.0108 0 + 58 TOP 1 TOP Cw B 0.000000 12.0108 0 + 59 TOP 1 TOP Cx B 0.000000 12.0108 0 + 60 TOP 1 TOP Cy B 0.000000 12.0108 0 + 61 TOP 1 TOP Cz B 0.000000 12.0108 0 + 62 TOP 1 TOP C10 B 0.000000 12.0108 0 + 63 TOP 1 TOP C11 B 0.000000 12.0108 0 + 64 TOP 1 TOP C12 B 0.000000 12.0108 0 + 65 TOP 1 TOP C13 B 0.000000 12.0108 0 + 66 TOP 1 TOP C14 B 0.000000 12.0108 0 + 67 TOP 1 TOP C15 B 0.000000 12.0108 0 + 68 TOP 1 TOP C16 B 0.000000 12.0108 0 + 69 TOP 1 TOP C17 B 0.000000 12.0108 0 + 70 TOP 1 TOP C18 B 0.000000 12.0108 0 + 71 TOP 1 TOP C19 B 0.000000 12.0108 0 + 72 TOP 1 TOP C1A B 0.000000 12.0108 0 + 73 TOP 1 TOP C1B B 0.000000 12.0108 0 + 74 TOP 1 TOP C1C B 0.000000 12.0108 0 + 75 TOP 1 TOP C1D B 0.000000 12.0108 0 + 76 TOP 1 TOP C1E B 0.000000 12.0108 0 + 77 TOP 1 TOP C1F B 0.000000 12.0108 0 + 78 TOP 1 TOP C1G B 0.000000 12.0108 0 + 79 TOP 1 TOP C1H B 0.000000 12.0108 0 + 80 TOP 1 TOP C1I B 0.000000 12.0108 0 + 81 TOP 1 TOP C1J B 0.000000 12.0108 0 + 82 TOP 1 TOP C1K B 0.000000 12.0108 0 + 83 TOP 1 TOP C1L B 0.000000 12.0108 0 + 84 TOP 1 TOP C1M B 0.000000 12.0108 0 + 85 TOP 1 TOP C1N B 0.000000 12.0108 0 + 86 TOP 1 TOP C1O B 0.000000 12.0108 0 + 87 TOP 1 TOP C1P B 0.000000 12.0108 0 + 88 TOP 1 TOP C1Q B 0.000000 12.0108 0 + 89 TOP 1 TOP C1R B 0.000000 12.0108 0 + 90 TOP 1 TOP C1S B 0.000000 12.0108 0 + 91 TOP 1 TOP C1T B 0.000000 12.0108 0 + 92 TOP 1 TOP C1U B 0.000000 12.0108 0 + 93 TOP 1 TOP C1V B 0.000000 12.0108 0 + 94 TOP 1 TOP C1W B 0.000000 12.0108 0 + 95 TOP 1 TOP C1X B 0.000000 12.0108 0 + 96 TOP 1 TOP C1Y B 0.000000 12.0108 0 + 97 TOP 1 TOP C1Z B 0.000000 12.0108 0 + 98 TOP 1 TOP C1a B 0.000000 12.0108 0 + 99 TOP 1 TOP C1b B 0.000000 12.0108 0 + 100 TOP 1 TOP C1c B 0.000000 12.0108 0 + 101 TOP 1 TOP C1d B 0.000000 12.0108 0 + 102 TOP 1 TOP C1e B 0.000000 12.0108 0 + 103 TOP 1 TOP C1f B 0.000000 12.0108 0 + 104 TOP 1 TOP C1g B 0.000000 12.0108 0 + 105 TOP 1 TOP C1h B 0.000000 12.0108 0 + 106 TOP 1 TOP C1i B 0.000000 12.0108 0 + 107 TOP 1 TOP C1j B 0.000000 12.0108 0 + 108 TOP 1 TOP C1k B 0.000000 12.0108 0 + 109 TOP 1 TOP C1l B 0.000000 12.0108 0 + 110 TOP 1 TOP C1m B 0.000000 12.0108 0 + 111 TOP 1 TOP C1n B 0.000000 12.0108 0 + 112 TOP 1 TOP C1o B 0.000000 12.0108 0 + 113 TOP 1 TOP C1p B 0.000000 12.0108 0 + 114 TOP 1 TOP C1q B 0.000000 12.0108 0 + 115 TOP 1 TOP C1r B 0.000000 12.0108 0 + 116 TOP 1 TOP C1s B 0.000000 12.0108 0 + 117 TOP 1 TOP C1t B 0.000000 12.0108 0 + 118 TOP 1 TOP C1u B 0.000000 12.0108 0 + 119 TOP 1 TOP C1v B 0.000000 12.0108 0 + 120 TOP 1 TOP C1w B 0.000000 12.0108 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simulations/desorption/3x3x1.0nm_3-layer/gomc/setup_run_NVT/slit_water_NVT.conf diff --git a/simulations/desorption/3x3x1.6nm_3-layer/gomc/README.md b/simulations/desorption/3x3x1.6nm_3-layer/gomc/README.md new file mode 100644 index 0000000..437cb43 --- /dev/null +++ b/simulations/desorption/3x3x1.6nm_3-layer/gomc/README.md @@ -0,0 +1,173 @@ +## Instructions to build and run the GOMC 3x3x1.6nm pore desorption simulations: + +### GOMC desorption runs in the 3x3x1.6nm pore +The GOMC simulations in this folder simulate water desorption into 3x3x1.6nm pore. The instructions recreating these simulations are provided below. + +Note: These simulations require setup simulations, as simulations need to start with the pores filled at a high pressure divided by the saturation pressure (P/Psat). These setup simulations are listed as optional since the endpoints from the required setup simulations are provided. However, the instructions for the two (2) setup simulations are provided as optional simulations for the user. The simulations for desorption are as follows: +* Part 1 (optional): Simulations to determine the number of waters in the graphene pore at a high chemical potential (see the setup_high_P_div_Po directory). +* Part 2 (optional): Stabilizing the determined the number of waters in the graphene pore from Part 1 via NVT simulations (see the setup_run_NVT directory). +* Part 3 : Desorption simulations starting from a high number of waters in the graphene pore (i.e., starting from the end of Part 2's simulations)). + + + +## Part 1 (optional): Simulations to determine the number of waters in the graphene pore at a high chemical potential (see the setup_high_P_div_Po directory). +Note: This simulation's data uses the average number of waters in the graphene pore for Part 2. +Note: Part 2 can be simulated without simulating Part 1. + +### Step 1 : Activate the conda environment +1) Open a terminal window and activate the conda environment +* conda activate slitpore37 + + +### Step 2 : build the coordinate, topology, and force field files (PDB, PSF, and FF (.inp)) +1) Change the terminal window directory to the build_ads_system directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc/build_ads_system). Assuming you are in the adsorptoin gomc directory (mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc). +* cd build_reservior + +2) Run the python build script +* python build_Graphene_water.py + + +### Step 3 : Run the simulation from the configuration file (Slurm submission script not available ) +1) Change the terminal window directory to the u_n_3769 directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc/setup_high_P_div_Po/u_n_3769). This is assuming that you are currently in the build_reservior directory (i.e., mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc/build_reservior) +* cd ../setup_high_P_div_Po/u_n_3769 + +2) Run the GOMC code. There is only 1 simulation to run, which is used as the starting point for the 3x3x1.6nm_3-layer desorption simulations. +See the Additional Information Section, Process #2, for more information on this GOMC run commands and how to obtain the "full_path_to_GOMC_bin_folder" path. If available, use 2 to 8 cores (i.e., +p2 to +p8) for these simulations. +* cd 1r1 +Run the code using the CPU: +* "full_path_to_GOMC_bin_folder"/GOMC_CPU_GCMC +p1 slit_water_GCMC.conf > out.dat + +Alternatively, Run the code using the CPU/GPU: +* "full_path_to_GOMC_bin_folder"/GOMC_GPU_GCMC +p1 slit_water_GCMC.conf > out.dat + + +### Step 4 : Analyze the data +There is no built-in analysis code. However, to get an answer, the user can analyze the total number of waters in the Blk_Output_data_BOX_0.dat file, generated in the same directory as the slit_water_GCMC.conf file (see Step 3). + + + + + +## Part 2 (optional): Stabilizing the determined the number of waters in the graphene pore from Part 1 via NVT simulations (see the setup_run_NVT directory). +Note: This simulation stabilizes the number of waters in the graphene pore, determined in Part 1. The stabilization is done by building a new single simulation box and running an NVT simulation. The endpoint of this NVT simulation is used as a starting point for Part 3. +Note: Part 3 can be simulated without simulating Part 1 and/or 2. + +### Step 1 : Activate the conda environment +1) Open a terminal window and activate the conda environment +* conda activate slitpore37 + + +### Step 2 : build the coordinate, topology, and force field files (PDB, PSF, and FF (.inp)) +1) Change the terminal window directory to the NVT_build directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc/setup_run_NVT/NVT_build). Assuming you are in the main desorption gomc directory (mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc). +* cd setup_run_NVT/NVT_build + +2) Run the python build script +* python build_NVT_pore_3x3x1.6nm_3-layer.py + + +### Step 3 : Run the simulations from the configuration files (Slurm submission script not available ) +1) Change the terminal window directory to the setup_run_NVT directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc/setup_run_NVT). This is assuming that you are currently in the NVT_build directory (i.e., mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc/setup_run_NVT/NVT_build) +* cd ../ + +2) Run the GOMC code. There is only 1 simulation to run, which is used as the starting point for the 3x3x1.6nm_3-layer desorption simulations. +See the Additional Information Section, Process #2, for more information on this GOMC run commands and how to obtain the "full_path_to_GOMC_bin_folder" path. If available, use 2 to 8 cores (i.e., +p2 to +p8) for these simulations. + +Run the code using the CPU: +* "full_path_to_GOMC_bin_folder"/GOMC_CPU_NVT +p2 slit_water_NVT.conf > out.dat + +Alternatively, Run the code using the CPU/GPU: +* "full_path_to_GOMC_bin_folder"/GOMC_GPU_NVT +p2 slit_water_NVT.conf > out.dat + + +### Step 4 : Analyze the data +There is no analysis for this NVT simulation, as it is just a starting point for simulations in Part 3. + + + + + + +## Part 3: Desorption simulations starting from a high number of waters in the graphene pore (i.e., starting the end of Part 2's simulations) + +### Step 1 : Activate the conda environment +1) Open a terminal window and activate the conda environment +* conda activate slitpore37 + + +### Step 2 : build the coordinate, topology, and force field files (PDB, PSF, and FF (.inp)) +1) Change the terminal window directory to the build_reservior directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc/build_reservior). Assuming you are in the main desorption gomc directory (mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc). +* cd build_reservior + +2) Run the python build script +* python build_Graphene_water.py + + +### Step 3 : create the GOMC configuration files (.conf, and Slurm submission script (if needed)) +Note: The process is detailed for set 1 below. The process will need to be repeated for set 2, set 3, set 4, and set 5. This is done by replacing set1 with set2, set3, set4, or set5. + +1) Change the terminal window directory to the set1 directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc/set1). +* cd ../set1 + +2) Obtaining the explicit path, "full_path_to_GOMC_bin_folder". See the Additional Information Section, Process #2 below. +Note: For a laptop or Desktop, Process #1 in the Additional Information Section can also be used so the "full_path_to_GOMC_bin_folder" does not need to be specified, but it will need to be done every time you open a terminal window + +3) Modify the python script for your system (ONLY if are running this on an HPC using Slurm). If you are using HPC submission script other than Slurm, you will need to make your own HPC submission scripts. +Open the python file simbuild.py and change the following variables as needed. +Note: For the examples below, the quotes ("") in the "full_path_to_GOMC_bin_folder" are to specify that it is not the acutal folder name. Therefore, do not enter the quotes ("") in the "full_path_to_GOMC_bin_folder", just enter full_path_to_GOMC_bin_folder +* explicit_path_to_GOMC_executable_string = "full_path_to_GOMC_bin_folder" +* CPU_or_GPU = enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) +* module_load_command_1 = Add your HPC specific module command here as a string or set as None +* module_load_command_2 = Add your HPC specific module command here as a string or set as None +* module_load_command_3 = Add your HPC specific module command here as a string or set as None + +4) Run the python build script simbuild.py +* python simbuild.py + +5) Run the GOMC code. This will need to be done for each set and the 8 runs per set (1r1, 1r2, 1r3, 1r4, 1r5, 1r6, 1r7, and 1r8). +The instructions below only show the process for set1's 1r1 folder or run. These instructions are only for running on a laptop or desktop. If you are submitting these runs to an HPC system, you will need to use the slurm's bash scripts (example: wp_16_1.sh), or use your specific HPC system submission format, and follow the HPC systems specific submission process. +See the Additional Information Section, Process #2, for more information on this GOMC run commands. Also, the HPC submission scripts (example: wp_16_1.sh) will have the suggested amount of cores to utilized (see the +p2 values). +* cd 1r1 +Run the code using the CPU: +* "full_path_to_GOMC_bin_folder"/GOMC_CPU_GCMC +p2 in.conf > out.dat + +Alternatively, Run the code using the CPU/GPU: +* "full_path_to_GOMC_bin_folder"/GOMC_GPU_GCMC +p2 in.conf > out.dat + + +### Step 4 : Analyze the data +Change the directory to the analysis folder (mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc/analysis). This can be done from the last step or from the main folder (mosdef_slitpore/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc). The analyis files will be printed in this analysis folder. +Option 1: from the last step +* cd ../../analysis +Option 2: from the main folder +* cd analysis +Run the python analysis script +* python Data_analysis.py + + + + + +## Additional Information: + +### +How to set a temporary GOMC file path once GOMC is compiled +Note: the below would need to be completed every time you open a new terminal window. +Open a new terminal window and change the directory to the GOMC directory/folder, then run: +* ls ./bin +Add the GOMC bin folder to our path, so the executable file can be called without the full path infront of it (i.e., by GOMC_CPU_GCMC, GOMC_CPU_GEMC, or GOMC_CPU_NVT) +* LOC_GOMC="$(pwd)/bin" +* export PATH="${LOC_GOMC}:$PATH" + + +### Process 2 : Obtaining the explicit path, "full_path_to_GOMC_bin_folder", to the GOMC executable using the 'pwd' command, assuming you are already in the GOMC directory. +Open a new terminal window and change the directory to the GOMC directory/folder, then run: +* cd bin +The output in the terminal window after running the pwd command is the "full_path_to_GOMC_bin_folder" . +* pwd + +Note: For the examples below, the quotes ("") in the "full_path_to_GOMC_bin_folder" are to specify that this is not the acutal folder name. Therefore, do not enter the quotes ("") in the "full_path_to_GOMC_bin_folder", just enter full_path_to_GOMC_bin_folder +* Example 1: (GCMC executable path with executable file): "full_path_to_GOMC_bin_folder"/GOMC_CPU_GCMC ; + +* Example 2: (general GOMC executable path with executable file) : "full_path_to_GOMC_bin_folder"/GOMC_XXX_aaaa + +* Example 3: (terminal code to run GOMC with Y cores from the directory containing the in.conf file) : "full_path_to_GOMC_bin_folder"/GOMC_XXX_aaaa +pY in.conf > out.dat diff --git a/simulations/desorption/3x3x1.6nm_3-layer/gomc/build_reservior/build_Graphene_water.py b/simulations/desorption/3x3x1.6nm_3-layer/gomc/build_reservior/build_Graphene_water.py new file mode 100644 index 0000000..a8b6cd7 --- /dev/null +++ b/simulations/desorption/3x3x1.6nm_3-layer/gomc/build_reservior/build_Graphene_water.py @@ -0,0 +1,105 @@ +from mbuild import recipes +import mbuild as mb +from foyer import Forcefield +import sys +sys.path.append('../../../../../') +from mosdef_slitpore.utils import charmm_writer as mf_charmm + + +Water_res_name = 'H2O' +Fake_water_res_name = 'h2o' + +FF_file = '../../../../../mosdef_slitpore/ffxml/pore-spce.xml' +FF_file_fake_water = '../../../../../mosdef_slitpore/ffxml/FF_Fake_SPCE.xml' + + +water = mb.load('O', smiles=True) +water.name = Water_res_name +water.energy_minimize(forcefield = FF_file , steps=10**9) + +Fake_water = mb.load('O', smiles=True) +Fake_water.name = Fake_water_res_name +Fake_water.energy_minimize(forcefield = FF_file_fake_water , steps=10**9) + +FF_Graphene_pore_w_solvent_Dict = {'H2O' : FF_file, 'BOT' : FF_file, 'TOP' : FF_file} +residues_Graphene_pore_w_solvent_List = [ water.name, 'BOT', 'TOP'] +Fix_bonds_angles_residues = [ water.name] + +FF_Graphene_pore_w_solvent_fake_water_Dict = {'H2O' : FF_file, 'h2o' : FF_file_fake_water , 'BOT': FF_file, 'TOP': FF_file} +residues_Graphene_pore_w_solvent_fake_water_List = [Fake_water.name, water.name, 'BOT', 'TOP'] +Fix_bonds_angles_fake_water_residues = [ water.name, Fake_water.name] + +Fix_Graphene_residue = [ 'BOT', 'TOP'] + +#************************************************************** +# builds water reservoir (start) +#************************************************************** + + +box_reservior = mb.fill_box(compound=[water,water],density=600, + box=[6,6,6], compound_ratio=[0.8,0.2]) + +box_reservior_w_fake_water = mb.fill_box(compound=[water,Fake_water],density=600, + box=[6,6,6], compound_ratio=[0.8,0.2]) + +#************************************************************** +# builds water reservoir (end) +#************************************************************** + + +#************************************************************** +# builds empty graphene slit for 16 Ang or 1nm (start) +#************************************************************** +# Create graphene system +pore_width_nm = 1.6 +No_sheets = 3 +sheet_spacing = 0.335 +#for GOMC, currently we need to add the space at the end of the simulation +# this does not matter as we are using PBC's +graphene =recipes.GraphenePore( + pore_width=sheet_spacing , + pore_length=3.0, + pore_depth=3.0, + n_sheets=No_sheets, + slit_pore_dim=2 +) + + +# Translate to centered at-graphene.center[0], -graphene.center[1],0 and make box larger in z +graphene.translate([ -graphene.center[0], -graphene.center[1],0]) +graphene.periodicity[2] = sheet_spacing*(2*No_sheets-1)+pore_width_nm + + + +mf_charmm.charmm_psf_psb_FF(graphene, + 'pore_3x3x1.6nm_3-layer', + structure_1 = box_reservior, + filename_1 = 'GOMC_reservior_box', + FF_filename ="GOMC_pore_water_FF" , + forcefield_files= FF_Graphene_pore_w_solvent_Dict , + residues=residues_Graphene_pore_w_solvent_List , + Bead_to_atom_name_dict = None, + fix_residue = Fix_Graphene_residue, + fix_res_bonds_angles = Fix_bonds_angles_residues, + reorder_res_in_pdb_psf = False + ) + +mf_charmm.charmm_psf_psb_FF(graphene, + 'pore_3x3x1.6nm_3-layer', + structure_1 = box_reservior_w_fake_water, + filename_1 = 'GOMC_reservior_fake_water_box', + FF_filename ="GOMC_pore_fake_water_FF" , + forcefield_files= FF_Graphene_pore_w_solvent_fake_water_Dict , + residues=residues_Graphene_pore_w_solvent_fake_water_List , + Bead_to_atom_name_dict = None, + fix_residue = Fix_Graphene_residue, + fix_res_bonds_angles = Fix_bonds_angles_fake_water_residues, + reorder_res_in_pdb_psf = False + ) + + +#************************************************************** +# builds empty graphene slit for 16 Ang or 1nm (end) +#************************************************************** + + diff --git a/simulations/desorption/3x3x1.6nm_3-layer/gomc/set1/simbuild.py b/simulations/desorption/3x3x1.6nm_3-layer/gomc/set1/simbuild.py index a0618b7..95835cf 100644 --- a/simulations/desorption/3x3x1.6nm_3-layer/gomc/set1/simbuild.py +++ b/simulations/desorption/3x3x1.6nm_3-layer/gomc/set1/simbuild.py @@ -6,57 +6,124 @@ import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' + +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - NCPU = Ncores - NTASK = 2 +#********************************************************* +# data to change if needed (end) +#********************************************************* + +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate - slurm = "#PBS" + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 + + +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') + +else: + prog = executable_file + +goto_directory = os.getcwd() +server_run_directory = goto_directory -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc/set1' job_name='wp_16' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters = '../../build_reservior/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_16' RSF='false' #init_pdb=[" ", " "] @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_reservior/pore_3x3x1.6nm_3-layer.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_reservior/pore_3x3x1.6nm_3-layer.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.6nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.6nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../setup_run_NVT/Output_data_BOX_0_restart.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../setup_run_NVT/Output_data_merged.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -176,9 +243,9 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p2 in.conf > out' + str(runs[irun]) + 'a.dat' Ncores = 2 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') diff --git a/simulations/desorption/3x3x1.6nm_3-layer/gomc/set2/simbuild.py b/simulations/desorption/3x3x1.6nm_3-layer/gomc/set2/simbuild.py index 911ee96..95835cf 100644 --- a/simulations/desorption/3x3x1.6nm_3-layer/gomc/set2/simbuild.py +++ b/simulations/desorption/3x3x1.6nm_3-layer/gomc/set2/simbuild.py @@ -6,57 +6,124 @@ import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' + +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - NCPU = Ncores - NTASK = 2 +#********************************************************* +# data to change if needed (end) +#********************************************************* + +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate - slurm = "#PBS" + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 + + +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') + +else: + prog = executable_file + +goto_directory = os.getcwd() +server_run_directory = goto_directory -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc/set2' job_name='wp_16' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters = '../../build_reservior/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_16' RSF='false' #init_pdb=[" ", " "] @@ -66,8 +133,8 @@ def write_slurm(file_out, task, Ncores,server_run_directory): resname = ['H2O','h2o','TOP', 'BOT'] runs = [1, 2, 3, 4, 5, 6, 7, 8] temp = [298, 298, 298, 298, 298, 298, 298, 298] -mus1 = [ -5573, -5092, -4972, -4852, -4731, -4611, -4491, -4130] -mus2 = [ -10000000, -10000000, -10000000, -2200, -2100, -2000, -1800, -1500] # [ -10000000, -10000000, -10000000, -2200, (-2500 =~1.5, -2300~2.7), (-2300 =~1.5. -2000 ~4.3), (-2100 =~1.5, -1800~4.3), (-1800 =~1.5, -1500~3.8) ] +mus1 = [ -5573, -5092, -4972, -4852, -4731, -4611, -4491, -4130] +mus2 = [ -10000000, -10000000, -10000000, -2500, -2500, -2500, -1600, -1500] mus3 = [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] phase= ['v', 'v', 'v', 'l','l', 'l', 'l', 'l'] restart=[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_reservior/pore_3x3x1.6nm_3-layer.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_reservior/pore_3x3x1.6nm_3-layer.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.6nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.6nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../setup_run_NVT/Output_data_BOX_0_restart.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../setup_run_NVT/Output_data_merged.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -176,9 +243,9 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p2 in.conf > out' + str(runs[irun]) + 'a.dat' Ncores = 2 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') diff --git a/simulations/desorption/3x3x1.6nm_3-layer/gomc/set3/simbuild.py b/simulations/desorption/3x3x1.6nm_3-layer/gomc/set3/simbuild.py index ffc71bc..95835cf 100644 --- a/simulations/desorption/3x3x1.6nm_3-layer/gomc/set3/simbuild.py +++ b/simulations/desorption/3x3x1.6nm_3-layer/gomc/set3/simbuild.py @@ -6,57 +6,124 @@ import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' + +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - NCPU = Ncores - NTASK = 2 +#********************************************************* +# data to change if needed (end) +#********************************************************* + +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate - slurm = "#PBS" + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 + + +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') + +else: + prog = executable_file + +goto_directory = os.getcwd() +server_run_directory = goto_directory -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc/set3' job_name='wp_16' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters = '../../build_reservior/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_16' RSF='false' #init_pdb=[" ", " "] @@ -66,8 +133,8 @@ def write_slurm(file_out, task, Ncores,server_run_directory): resname = ['H2O','h2o','TOP', 'BOT'] runs = [1, 2, 3, 4, 5, 6, 7, 8] temp = [298, 298, 298, 298, 298, 298, 298, 298] -mus1 = [ -5573, -5092, -4972, -4852, -4731, -4611, -4491, -4130] -mus2 = [ -10000000, -10000000, -10000000, -2200, -2100, -2000, -1800, -1500] # [ -10000000, -10000000, -10000000, -2200, (-2500 =~1.5, -2300~2.7), (-2300 =~1.5. -2000 ~4.3), (-2100 =~1.5, -1800~4.3), (-1800 =~1.5, -1500~3.8) ] +mus1 = [ -5573, -5092, -4972, -4852, -4731, -4611, -4491, -4130] +mus2 = [ -10000000, -10000000, -10000000, -2500, -2500, -2500, -1600, -1500] mus3 = [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] phase= ['v', 'v', 'v', 'l','l', 'l', 'l', 'l'] restart=[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_reservior/pore_3x3x1.6nm_3-layer.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_reservior/pore_3x3x1.6nm_3-layer.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.6nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.6nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../setup_run_NVT/Output_data_BOX_0_restart.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../setup_run_NVT/Output_data_merged.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -176,9 +243,9 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p2 in.conf > out' + str(runs[irun]) + 'a.dat' Ncores = 2 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') diff --git a/simulations/desorption/3x3x1.6nm_3-layer/gomc/set4/simbuild.py b/simulations/desorption/3x3x1.6nm_3-layer/gomc/set4/simbuild.py index 26fc8f7..95835cf 100644 --- a/simulations/desorption/3x3x1.6nm_3-layer/gomc/set4/simbuild.py +++ b/simulations/desorption/3x3x1.6nm_3-layer/gomc/set4/simbuild.py @@ -6,57 +6,124 @@ import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' + +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - NCPU = Ncores - NTASK = 2 +#********************************************************* +# data to change if needed (end) +#********************************************************* + +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate - slurm = "#PBS" + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 + + +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') + +else: + prog = executable_file + +goto_directory = os.getcwd() +server_run_directory = goto_directory -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc/set4' job_name='wp_16' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters = '../../build_reservior/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_16' RSF='false' #init_pdb=[" ", " "] @@ -66,8 +133,8 @@ def write_slurm(file_out, task, Ncores,server_run_directory): resname = ['H2O','h2o','TOP', 'BOT'] runs = [1, 2, 3, 4, 5, 6, 7, 8] temp = [298, 298, 298, 298, 298, 298, 298, 298] -mus1 = [ -5573, -5092, -4972, -4852, -4731, -4611, -4491, -4130] -mus2 = [ -10000000, -10000000, -10000000, -2200, -2100, -2000, -1800, -1500] # [ -10000000, -10000000, -10000000, -2200, (-2500 =~1.5, -2300~2.7), (-2300 =~1.5. -2000 ~4.3), (-2100 =~1.5, -1800~4.3), (-1800 =~1.5, -1500~3.8) ] +mus1 = [ -5573, -5092, -4972, -4852, -4731, -4611, -4491, -4130] +mus2 = [ -10000000, -10000000, -10000000, -2500, -2500, -2500, -1600, -1500] mus3 = [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] phase= ['v', 'v', 'v', 'l','l', 'l', 'l', 'l'] restart=[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_reservior/pore_3x3x1.6nm_3-layer.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_reservior/pore_3x3x1.6nm_3-layer.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.6nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.6nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../setup_run_NVT/Output_data_BOX_0_restart.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../setup_run_NVT/Output_data_merged.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -176,9 +243,9 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p2 in.conf > out' + str(runs[irun]) + 'a.dat' Ncores = 2 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') diff --git a/simulations/desorption/3x3x1.6nm_3-layer/gomc/set5/simbuild.py b/simulations/desorption/3x3x1.6nm_3-layer/gomc/set5/simbuild.py index 19adc43..95835cf 100644 --- a/simulations/desorption/3x3x1.6nm_3-layer/gomc/set5/simbuild.py +++ b/simulations/desorption/3x3x1.6nm_3-layer/gomc/set5/simbuild.py @@ -6,57 +6,124 @@ import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* -def write_slurm(file_out, task, Ncores,server_run_directory): - # SLURM boilerplate +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' + +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string - NCPU = Ncores - NTASK = 2 +#********************************************************* +# data to change if needed (end) +#********************************************************* + +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate - slurm = "#PBS" + slurm = "#SBATCH" intro = "#!/bin/bash" - Line_2 = ' -l select=1:ncpus='+str(NCPU)+':mem=16gb:cpu_type=Intel' - Line_3 = " -j oe" - Line_4 = " -m aeb" - Line_5 = " -M bc118@wayne.edu" - Line_6 = " -r y" - - Line_7 = 'echo "Running on host" hostname' - Line_8 = 'echo "Time is" date' - Line_9 = "module swap gnu7/7.3.0 intel/2019" + Line_2 = ' --job-name '+str(newdir) + Line_3 = ' -q primary ' + Line_4 = " -N 1" + Line_5 = " -n "+str(Ncores) + Line_6 = " --mem=16G" + Line_7 = " --constraint=intel" + Line_8 = ' --mail-type=ALL' + Line_10 = " -o output_%j.out" + Line_11 = " -e errors_%j.err" + Line_12 = " -t 336:0:0" + + Line_13 = 'echo "Running on host" hostname' + Line_14 = 'echo "Time is" date' + + #goto_directory = os.getcwd() goto_directory = server_run_directory file = open(file_out, 'w') - file.write(intro+"\n") + file.write(intro+"\n\n") file.write(slurm+Line_2+"\n") file.write(slurm+Line_3+"\n") file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") - file.write(slurm + Line_6 + "\n\n") - file.write(Line_7 + "\n") - file.write(Line_8 + "\n") - file.write(Line_9 + "\n\n") - file.write(Line_8 + "\n\n") + file.write(slurm + Line_6 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + + file.write(slurm+Line_8 + "\n") + file.write(slurm+Line_10 + "\n") + file.write(slurm+Line_11 + "\n") + file.write(slurm + Line_12 + "\n\n") + file.write(Line_13 + "\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_GCMC' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 + + +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') + +else: + prog = executable_file + +goto_directory = os.getcwd() +server_run_directory = goto_directory -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = 'Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/desorption/3x3x1.6nm_3-layer/gomc/set5' job_name='wp_16' -parameters='../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_pore_fake_water_FF.inp' +parameters = '../../build_reservior/GOMC_pore_fake_water_FF.inp' outputname = 'SPCE_PORE_16' RSF='false' #init_pdb=[" ", " "] @@ -66,8 +133,8 @@ def write_slurm(file_out, task, Ncores,server_run_directory): resname = ['H2O','h2o','TOP', 'BOT'] runs = [1, 2, 3, 4, 5, 6, 7, 8] temp = [298, 298, 298, 298, 298, 298, 298, 298] -mus1 = [ -5573, -5092, -4972, -4852, -4731, -4611, -4491, -4130] -mus2 = [ -10000000, -10000000, -10000000, -2200, -2100, -2000, -1800, -1500] # [ -10000000, -10000000, -10000000, -2200, (-2500 =~1.5, -2300~2.7), (-2300 =~1.5. -2000 ~4.3), (-2100 =~1.5, -1800~4.3), (-1800 =~1.5, -1500~3.8) ] +mus1 = [ -5573, -5092, -4972, -4852, -4731, -4611, -4491, -4130] +mus2 = [ -10000000, -10000000, -10000000, -2500, -2500, -2500, -1600, -1500] mus3 = [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] phase= ['v', 'v', 'v', 'l','l', 'l', 'l', 'l'] restart=[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] @@ -89,11 +156,11 @@ def write_slurm(file_out, task, Ncores,server_run_directory): if restart[irun] == 0: RSF='False' if adsorption_or_desorption == 'ads' : - pdb_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/pore_3x3x1.6nm_3-layer.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../build_reservior/pore_3x3x1.6nm_3-layer.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../build_reservior/pore_3x3x1.6nm_3-layer.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] elif adsorption_or_desorption == 'des': - pdb_name = ['../../../../../NVT/3x3x1.6nm_3-layer/gomc/Output_data_BOX_0_restart.pdb', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.pdb'] - psf_name = ['../../../../../NVT/3x3x1.6nm_3-layer/gomc/Output_data_merged.psf', '../../../../../gomc_pdb_psf_FF/Grapene_Water_builder/GOMC_reservior_fake_water_box.psf'] + pdb_name = ['../../setup_run_NVT/Output_data_BOX_0_restart.pdb', '../../build_reservior/GOMC_reservior_fake_water_box.pdb'] + psf_name = ['../../setup_run_NVT/Output_data_merged.psf', '../../build_reservior/GOMC_reservior_fake_water_box.psf'] else: print('pick a desorption or adsorption') @@ -176,9 +243,9 @@ def write_slurm(file_out, task, Ncores,server_run_directory): task = prog + ' +p2 in.conf > out' + str(runs[irun]) + 'a.dat' Ncores = 2 # write slurm script - file_sim = job_name+'_'+str(irun+1)+'.txt' + file_sim = job_name+'_'+str(irun+1)+'.sh' server_run_directory_print = server_run_directory +'/'+ str(newdir) - write_slurm(file_sim, task, Ncores, server_run_directory_print) + write_slurm(file_sim, task, Ncores, server_run_directory_print, newdir) os.chdir('..') diff --git a/simulations/equilb_boxes/3x3x1.6nm_3-layer/gomc/u_n_3769/slit_water_GCMC.conf b/simulations/desorption/3x3x1.6nm_3-layer/gomc/setup_high_P_div_Po/u_n_3769/slit_water_GCMC.conf similarity index 91% rename from simulations/equilb_boxes/3x3x1.6nm_3-layer/gomc/u_n_3769/slit_water_GCMC.conf rename to simulations/desorption/3x3x1.6nm_3-layer/gomc/setup_high_P_div_Po/u_n_3769/slit_water_GCMC.conf index b57be06..2f336cd 100644 --- a/simulations/equilb_boxes/3x3x1.6nm_3-layer/gomc/u_n_3769/slit_water_GCMC.conf +++ b/simulations/desorption/3x3x1.6nm_3-layer/gomc/setup_high_P_div_Po/u_n_3769/slit_water_GCMC.conf @@ -21,19 +21,19 @@ PRNG RANDOM #################################### ParaTypeCHARMM true -Parameters ../../../../ads_equilb_pdb_psf_FF/gomc/GOMC_pore_water_FF.inp +Parameters ../../build_reservior/GOMC_pore_water_FF.inp #################################### # INPUT PDB FILES #################################### -Coordinates 0 ../../../../ads_equilb_pdb_psf_FF/gomc/pore_3x3x1.6nm_3-layer.pdb -Coordinates 1 ../../../../ads_equilb_pdb_psf_FF/gomc/GOMC_reservior_box.pdb +Coordinates 0 ../../build_reservior/pore_3x3x1.6nm_3-layer.pdb +Coordinates 1 ../../build_reservior/GOMC_reservior_box.pdb #################################### # INPUT PSF FILES #################################### -Structure 0 ../../../../ads_equilb_pdb_psf_FF/gomc/pore_3x3x1.6nm_3-layer.psf -Structure 1 ../../../../ads_equilb_pdb_psf_FF/gomc/GOMC_reservior_box.psf +Structure 0 ../../build_reservior/pore_3x3x1.6nm_3-layer.psf +Structure 1 ../../build_reservior/GOMC_reservior_box.psf diff --git a/simulations/NVT/3x3x1.6nm_3-layer/gomc/NVT_build/build_NVT_pore_3x3x1.6nm_3-layer.py b/simulations/desorption/3x3x1.6nm_3-layer/gomc/setup_run_NVT/NVT_build/build_NVT_pore_3x3x1.6nm_3-layer.py similarity index 76% rename from simulations/NVT/3x3x1.6nm_3-layer/gomc/NVT_build/build_NVT_pore_3x3x1.6nm_3-layer.py rename to simulations/desorption/3x3x1.6nm_3-layer/gomc/setup_run_NVT/NVT_build/build_NVT_pore_3x3x1.6nm_3-layer.py index b6159f1..307926e 100644 --- a/simulations/NVT/3x3x1.6nm_3-layer/gomc/NVT_build/build_NVT_pore_3x3x1.6nm_3-layer.py +++ b/simulations/desorption/3x3x1.6nm_3-layer/gomc/setup_run_NVT/NVT_build/build_NVT_pore_3x3x1.6nm_3-layer.py @@ -1,26 +1,28 @@ -from mbuild.recipes.porebuilder import GraphenePore +from mbuild import recipes import mbuild as mb from foyer import Forcefield -import mbuild.formats.charmm_writer as mf_charmm +import sys +sys.path.append('../../../../../../') +from mosdef_slitpore.utils import charmm_writer as mf_charmm Water_res_name = 'H2O' Fake_water_res_name = 'h2o' -FF_file = '../../../../../mosdef_slitpore/ffxml/pore-spce.xml' -FF_file_fake_water = '../../../../../mosdef_slitpore/ffxml/FF_Fake_SPCE.xml' +FF_file = '../../../../../../mosdef_slitpore/ffxml/pore-spce.xml' +FF_file_fake_water = '../../../../../../mosdef_slitpore/ffxml/FF_Fake_SPCE.xml' water = mb.load('O', smiles=True) water.name = Water_res_name print('water.name = '+str(water.name)) -water.energy_minimization(forcefield = FF_file , steps=10**9) +water.energy_minimize(forcefield = FF_file , steps=10**9) Fake_water = mb.load('O', smiles=True) Fake_water.name = Fake_water_res_name -Fake_water.energy_minimization(forcefield = FF_file_fake_water , steps=10**9) +Fake_water.energy_minimize(forcefield = FF_file_fake_water , steps=10**9) FF_Graphene_pore_w_solvent_fake_water_Dict = {'H2O' : FF_file, 'h2o' : FF_file_fake_water , 'BOT': FF_file, 'TOP': FF_file} @@ -56,7 +58,7 @@ #for GOMC, currently we need to add the space at the end of the simulation # this does not matter as we are using PBC's -empty_graphene_pore = GraphenePore( +empty_graphene_pore =recipes.GraphenePore( pore_width=sheet_spacing , pore_length=3.0, pore_depth=3.0, @@ -86,13 +88,13 @@ mf_charmm.charmm_psf_psb_FF(filled_pore, - 'filled_pore_fake_water_3x3x1.6nm_3-layer', - structure_1 =box_reservior_w_fake_water , - filename_1 = 'GOMC_reservior_fake_water_box', - GOMC_FF_filename ="GOMC_pore_fake_water_FF" , - forcefield_files= FF_Graphene_pore_w_solvent_fake_water_Dict , - residues= residues_Graphene_pore_w_solvent_fake_water_List , - Bead_to_atom_name_dict = None, + 'filled_pore_fake_water_3x3x1.6nm_3-layer', + structure_1 =box_reservior_w_fake_water , + filename_1 = 'GOMC_reservior_fake_water_box', + FF_filename ="GOMC_pore_fake_water_FF" , + forcefield_files= FF_Graphene_pore_w_solvent_fake_water_Dict , + residues= residues_Graphene_pore_w_solvent_fake_water_List , + Bead_to_atom_name_dict = None, fix_residue = Fix_Graphene_residue, fix_res_bonds_angles = Fix_bonds_angles_fake_water_residues, reorder_res_in_pdb_psf = False diff --git a/simulations/NVT/3x3x1.6nm_3-layer/gomc/Output_data_BOX_0_restart.pdb b/simulations/desorption/3x3x1.6nm_3-layer/gomc/setup_run_NVT/Output_data_BOX_0_restart.pdb similarity index 100% rename from simulations/NVT/3x3x1.6nm_3-layer/gomc/Output_data_BOX_0_restart.pdb rename to simulations/desorption/3x3x1.6nm_3-layer/gomc/setup_run_NVT/Output_data_BOX_0_restart.pdb diff --git a/simulations/desorption/3x3x1.6nm_3-layer/gomc/setup_run_NVT/Output_data_merged.psf b/simulations/desorption/3x3x1.6nm_3-layer/gomc/setup_run_NVT/Output_data_merged.psf new file mode 100644 index 0000000..6478eab --- /dev/null +++ b/simulations/desorption/3x3x1.6nm_3-layer/gomc/setup_run_NVT/Output_data_merged.psf @@ -0,0 +1,3608 @@ +PSF + + 2 !NTITLE + REMARKS Combined PSF produced by GOMC + REMARKS Contains Geometry data for molecules in ALL boxes in the system + + 3249 !NATOM + 1 TOP 1 TOP C1 B 0.000000 12.0108 0 + 2 TOP 1 TOP C2 B 0.000000 12.0108 0 + 3 TOP 1 TOP C3 B 0.000000 12.0108 0 + 4 TOP 1 TOP C4 B 0.000000 12.0108 0 + 5 TOP 1 TOP C5 B 0.000000 12.0108 0 + 6 TOP 1 TOP C6 B 0.000000 12.0108 0 + 7 TOP 1 TOP C7 B 0.000000 12.0108 0 + 8 TOP 1 TOP C8 B 0.000000 12.0108 0 + 9 TOP 1 TOP C9 B 0.000000 12.0108 0 + 10 TOP 1 TOP CA B 0.000000 12.0108 0 + 11 TOP 1 TOP CB B 0.000000 12.0108 0 + 12 TOP 1 TOP CC B 0.000000 12.0108 0 + 13 TOP 1 TOP CD B 0.000000 12.0108 0 + 14 TOP 1 TOP CE B 0.000000 12.0108 0 + 15 TOP 1 TOP CF B 0.000000 12.0108 0 + 16 TOP 1 TOP CG B 0.000000 12.0108 0 + 17 TOP 1 TOP CH B 0.000000 12.0108 0 + 18 TOP 1 TOP CI B 0.000000 12.0108 0 + 19 TOP 1 TOP CJ B 0.000000 12.0108 0 + 20 TOP 1 TOP CK B 0.000000 12.0108 0 + 21 TOP 1 TOP CL B 0.000000 12.0108 0 + 22 TOP 1 TOP CM B 0.000000 12.0108 0 + 23 TOP 1 TOP CN B 0.000000 12.0108 0 + 24 TOP 1 TOP CO B 0.000000 12.0108 0 + 25 TOP 1 TOP CP B 0.000000 12.0108 0 + 26 TOP 1 TOP CQ B 0.000000 12.0108 0 + 27 TOP 1 TOP CR B 0.000000 12.0108 0 + 28 TOP 1 TOP CS B 0.000000 12.0108 0 + 29 TOP 1 TOP CT B 0.000000 12.0108 0 + 30 TOP 1 TOP CU B 0.000000 12.0108 0 + 31 TOP 1 TOP CV B 0.000000 12.0108 0 + 32 TOP 1 TOP CW B 0.000000 12.0108 0 + 33 TOP 1 TOP CX B 0.000000 12.0108 0 + 34 TOP 1 TOP CY B 0.000000 12.0108 0 + 35 TOP 1 TOP CZ B 0.000000 12.0108 0 + 36 TOP 1 TOP Ca B 0.000000 12.0108 0 + 37 TOP 1 TOP Cb B 0.000000 12.0108 0 + 38 TOP 1 TOP Cc B 0.000000 12.0108 0 + 39 TOP 1 TOP Cd B 0.000000 12.0108 0 + 40 TOP 1 TOP Ce B 0.000000 12.0108 0 + 41 TOP 1 TOP Cf B 0.000000 12.0108 0 + 42 TOP 1 TOP Cg B 0.000000 12.0108 0 + 43 TOP 1 TOP Ch B 0.000000 12.0108 0 + 44 TOP 1 TOP Ci B 0.000000 12.0108 0 + 45 TOP 1 TOP Cj B 0.000000 12.0108 0 + 46 TOP 1 TOP Ck B 0.000000 12.0108 0 + 47 TOP 1 TOP Cl B 0.000000 12.0108 0 + 48 TOP 1 TOP Cm B 0.000000 12.0108 0 + 49 TOP 1 TOP Cn B 0.000000 12.0108 0 + 50 TOP 1 TOP Co B 0.000000 12.0108 0 + 51 TOP 1 TOP Cp B 0.000000 12.0108 0 + 52 TOP 1 TOP Cq B 0.000000 12.0108 0 + 53 TOP 1 TOP Cr B 0.000000 12.0108 0 + 54 TOP 1 TOP Cs B 0.000000 12.0108 0 + 55 TOP 1 TOP Ct B 0.000000 12.0108 0 + 56 TOP 1 TOP Cu B 0.000000 12.0108 0 + 57 TOP 1 TOP Cv B 0.000000 12.0108 0 + 58 TOP 1 TOP Cw B 0.000000 12.0108 0 + 59 TOP 1 TOP Cx B 0.000000 12.0108 0 + 60 TOP 1 TOP Cy B 0.000000 12.0108 0 + 61 TOP 1 TOP Cz B 0.000000 12.0108 0 + 62 TOP 1 TOP C10 B 0.000000 12.0108 0 + 63 TOP 1 TOP C11 B 0.000000 12.0108 0 + 64 TOP 1 TOP C12 B 0.000000 12.0108 0 + 65 TOP 1 TOP C13 B 0.000000 12.0108 0 + 66 TOP 1 TOP C14 B 0.000000 12.0108 0 + 67 TOP 1 TOP C15 B 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C2H B 0.000000 12.0108 0 + 142 TOP 1 TOP C2I B 0.000000 12.0108 0 + 143 TOP 1 TOP C2J B 0.000000 12.0108 0 + 144 TOP 1 TOP C2K B 0.000000 12.0108 0 + 145 TOP 1 TOP C2L B 0.000000 12.0108 0 + 146 TOP 1 TOP C2M B 0.000000 12.0108 0 + 147 TOP 1 TOP C2N B 0.000000 12.0108 0 + 148 TOP 1 TOP C2O B 0.000000 12.0108 0 + 149 TOP 1 TOP C2P B 0.000000 12.0108 0 + 150 TOP 1 TOP C2Q B 0.000000 12.0108 0 + 151 TOP 1 TOP C2R B 0.000000 12.0108 0 + 152 TOP 1 TOP C2S B 0.000000 12.0108 0 + 153 TOP 1 TOP C2T B 0.000000 12.0108 0 + 154 TOP 1 TOP C2U B 0.000000 12.0108 0 + 155 TOP 1 TOP C2V B 0.000000 12.0108 0 + 156 TOP 1 TOP C2W B 0.000000 12.0108 0 + 157 TOP 1 TOP C2X B 0.000000 12.0108 0 + 158 TOP 1 TOP C2Y B 0.000000 12.0108 0 + 159 TOP 1 TOP C2Z B 0.000000 12.0108 0 + 160 TOP 1 TOP C2a B 0.000000 12.0108 0 + 161 TOP 1 TOP C2b B 0.000000 12.0108 0 + 162 TOP 1 TOP C2c B 0.000000 12.0108 0 + 163 TOP 1 TOP C2d B 0.000000 12.0108 0 + 164 TOP 1 TOP C2e B 0.000000 12.0108 0 + 165 TOP 1 TOP C2f B 0.000000 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b/simulations/equilb_boxes/3x3x1.0nm_3-layer/gomc/u_n_3769/Output_data_BOX_0_restart.pdb deleted file mode 100644 index 8cc6703..0000000 --- a/simulations/equilb_boxes/3x3x1.0nm_3-layer/gomc/u_n_3769/Output_data_BOX_0_restart.pdb +++ /dev/null @@ -1,2604 +0,0 @@ -REMARK GOMC 4.512 0.66352 0.000 50000000 -CRYST1 29.472 29.777 26.750 90.00 90.00 90.00 P 1 1 -ATOM 1 C1 TOP A 1 15.350 15.597 10.050 0.00 1.00 -ATOM 2 C2 TOP A 1 15.350 15.597 13.400 0.00 1.00 -ATOM 3 C3 TOP A 1 15.350 15.597 16.750 0.00 1.00 -ATOM 4 C4 TOP A 1 14.122 17.724 10.050 0.00 1.00 -ATOM 5 C5 TOP A 1 14.122 17.724 13.400 0.00 1.00 -ATOM 6 C6 TOP A 1 14.122 17.724 16.750 0.00 1.00 -ATOM 7 C7 TOP A 1 12.894 19.851 10.050 0.00 1.00 -ATOM 8 C8 TOP A 1 12.894 19.851 13.400 0.00 1.00 -ATOM 9 C9 TOP A 1 12.894 19.851 16.750 0.00 1.00 -ATOM 10 CA TOP A 1 11.666 21.978 10.050 0.00 1.00 -ATOM 11 CB TOP A 1 11.666 21.978 13.400 0.00 1.00 -ATOM 12 CC TOP A 1 11.666 21.978 16.750 0.00 1.00 -ATOM 13 CD TOP A 1 10.438 24.105 10.050 0.00 1.00 -ATOM 14 CE TOP A 1 10.438 24.105 13.400 0.00 1.00 -ATOM 15 CF TOP A 1 10.438 24.105 16.750 0.00 1.00 -ATOM 16 CG TOP A 1 9.210 26.232 10.050 0.00 1.00 -ATOM 17 CH TOP A 1 9.210 26.232 13.400 0.00 1.00 -ATOM 18 CI TOP A 1 9.210 26.232 16.750 0.00 1.00 -ATOM 19 CJ TOP A 1 7.982 28.359 10.050 0.00 1.00 -ATOM 20 CK TOP A 1 7.982 28.359 13.400 0.00 1.00 -ATOM 21 CL TOP A 1 7.982 28.359 16.750 0.00 1.00 -ATOM 22 CM TOP A 1 6.754 0.709 10.050 0.00 1.00 -ATOM 23 CN TOP A 1 6.754 0.709 13.400 0.00 1.00 -ATOM 24 CO TOP A 1 6.754 0.709 16.750 0.00 1.00 -ATOM 25 CP TOP A 1 5.526 2.836 10.050 0.00 1.00 -ATOM 26 CQ TOP A 1 5.526 2.836 13.400 0.00 1.00 -ATOM 27 CR TOP A 1 5.526 2.836 16.750 0.00 1.00 -ATOM 28 CS TOP A 1 4.298 4.963 10.050 0.00 1.00 -ATOM 29 CT TOP A 1 4.298 4.963 13.400 0.00 1.00 -ATOM 30 CU TOP A 1 4.298 4.963 16.750 0.00 1.00 -ATOM 31 CV TOP A 1 3.070 7.090 10.050 0.00 1.00 -ATOM 32 CW TOP A 1 3.070 7.090 13.400 0.00 1.00 -ATOM 33 CX TOP A 1 3.070 7.090 16.750 0.00 1.00 -ATOM 34 CY TOP A 1 1.842 9.217 10.050 0.00 1.00 -ATOM 35 CZ TOP A 1 1.842 9.217 13.400 0.00 1.00 -ATOM 36 Ca TOP A 1 1.842 9.217 16.750 0.00 1.00 -ATOM 37 Cb TOP A 1 0.614 11.344 10.050 0.00 1.00 -ATOM 38 Cc TOP A 1 0.614 11.344 13.400 0.00 1.00 -ATOM 39 Cd TOP A 1 0.614 11.344 16.750 0.00 1.00 -ATOM 40 Ce TOP A 1 28.858 13.471 10.050 0.00 1.00 -ATOM 41 Cf TOP A 1 28.858 13.471 13.400 0.00 1.00 -ATOM 42 Cg TOP A 1 28.858 13.471 16.750 0.00 1.00 -ATOM 43 Ch TOP A 1 17.806 15.597 10.050 0.00 1.00 -ATOM 44 Ci TOP A 1 17.806 15.597 13.400 0.00 1.00 -ATOM 45 Cj TOP A 1 17.806 15.597 16.750 0.00 1.00 -ATOM 46 Ck TOP A 1 16.578 17.724 10.050 0.00 1.00 -ATOM 47 Cl TOP A 1 16.578 17.724 13.400 0.00 1.00 -ATOM 48 Cm TOP A 1 16.578 17.724 16.750 0.00 1.00 -ATOM 49 Cn TOP A 1 15.350 19.851 10.050 0.00 1.00 -ATOM 50 Co TOP A 1 15.350 19.851 13.400 0.00 1.00 -ATOM 51 Cp TOP A 1 15.350 19.851 16.750 0.00 1.00 -ATOM 52 Cq TOP A 1 14.122 21.978 10.050 0.00 1.00 -ATOM 53 Cr TOP A 1 14.122 21.978 13.400 0.00 1.00 -ATOM 54 Cs TOP A 1 14.122 21.978 16.750 0.00 1.00 -ATOM 55 Ct TOP A 1 12.894 24.105 10.050 0.00 1.00 -ATOM 56 Cu TOP A 1 12.894 24.105 13.400 0.00 1.00 -ATOM 57 Cv TOP A 1 12.894 24.105 16.750 0.00 1.00 -ATOM 58 Cw TOP A 1 11.666 26.232 10.050 0.00 1.00 -ATOM 59 Cx TOP A 1 11.666 26.232 13.400 0.00 1.00 -ATOM 60 Cy TOP A 1 11.666 26.232 16.750 0.00 1.00 -ATOM 61 Cz TOP A 1 10.438 28.359 10.050 0.00 1.00 -ATOM 62 C10 TOP A 1 10.438 28.359 13.400 0.00 1.00 -ATOM 63 C11 TOP A 1 10.438 28.359 16.750 0.00 1.00 -ATOM 64 C12 TOP A 1 9.210 0.709 10.050 0.00 1.00 -ATOM 65 C13 TOP A 1 9.210 0.709 13.400 0.00 1.00 -ATOM 66 C14 TOP A 1 9.210 0.709 16.750 0.00 1.00 -ATOM 67 C15 TOP A 1 7.982 2.836 10.050 0.00 1.00 -ATOM 68 C16 TOP A 1 7.982 2.836 13.400 0.00 1.00 -ATOM 69 C17 TOP A 1 7.982 2.836 16.750 0.00 1.00 -ATOM 70 C18 TOP A 1 6.754 4.963 10.050 0.00 1.00 -ATOM 71 C19 TOP A 1 6.754 4.963 13.400 0.00 1.00 -ATOM 72 C1A TOP A 1 6.754 4.963 16.750 0.00 1.00 -ATOM 73 C1B TOP A 1 5.526 7.090 10.050 0.00 1.00 -ATOM 74 C1C TOP A 1 5.526 7.090 13.400 0.00 1.00 -ATOM 75 C1D TOP A 1 5.526 7.090 16.750 0.00 1.00 -ATOM 76 C1E TOP A 1 4.298 9.217 10.050 0.00 1.00 -ATOM 77 C1F TOP A 1 4.298 9.217 13.400 0.00 1.00 -ATOM 78 C1G TOP A 1 4.298 9.217 16.750 0.00 1.00 -ATOM 79 C1H TOP A 1 3.070 11.344 10.050 0.00 1.00 -ATOM 80 C1I TOP A 1 3.070 11.344 13.400 0.00 1.00 -ATOM 81 C1J TOP A 1 3.070 11.344 16.750 0.00 1.00 -ATOM 82 C1K TOP A 1 1.842 13.471 10.050 0.00 1.00 -ATOM 83 C1L TOP A 1 1.842 13.471 13.400 0.00 1.00 -ATOM 84 C1M TOP A 1 1.842 13.471 16.750 0.00 1.00 -ATOM 85 C1N TOP A 1 20.262 15.597 10.050 0.00 1.00 -ATOM 86 C1O TOP A 1 20.262 15.597 13.400 0.00 1.00 -ATOM 87 C1P TOP A 1 20.262 15.597 16.750 0.00 1.00 -ATOM 88 C1Q TOP A 1 19.034 17.724 10.050 0.00 1.00 -ATOM 89 C1R TOP A 1 19.034 17.724 13.400 0.00 1.00 -ATOM 90 C1S TOP A 1 19.034 17.724 16.750 0.00 1.00 -ATOM 91 C1T TOP A 1 17.806 19.851 10.050 0.00 1.00 -ATOM 92 C1U TOP A 1 17.806 19.851 13.400 0.00 1.00 -ATOM 93 C1V TOP A 1 17.806 19.851 16.750 0.00 1.00 -ATOM 94 C1W TOP A 1 16.578 21.978 10.050 0.00 1.00 -ATOM 95 C1X TOP A 1 16.578 21.978 13.400 0.00 1.00 -ATOM 96 C1Y TOP A 1 16.578 21.978 16.750 0.00 1.00 -ATOM 97 C1Z TOP A 1 15.350 24.105 10.050 0.00 1.00 -ATOM 98 C1a TOP A 1 15.350 24.105 13.400 0.00 1.00 -ATOM 99 C1b TOP A 1 15.350 24.105 16.750 0.00 1.00 -ATOM 100 C1c TOP A 1 14.122 26.232 10.050 0.00 1.00 -ATOM 101 C1d TOP A 1 14.122 26.232 13.400 0.00 1.00 -ATOM 102 C1e TOP A 1 14.122 26.232 16.750 0.00 1.00 -ATOM 103 C1f TOP A 1 12.894 28.359 10.050 0.00 1.00 -ATOM 104 C1g TOP A 1 12.894 28.359 13.400 0.00 1.00 -ATOM 105 C1h TOP A 1 12.894 28.359 16.750 0.00 1.00 -ATOM 106 C1i TOP A 1 11.666 0.709 10.050 0.00 1.00 -ATOM 107 C1j TOP A 1 11.666 0.709 13.400 0.00 1.00 -ATOM 108 C1k TOP A 1 11.666 0.709 16.750 0.00 1.00 -ATOM 109 C1l TOP A 1 10.438 2.836 10.050 0.00 1.00 -ATOM 110 C1m TOP A 1 10.438 2.836 13.400 0.00 1.00 -ATOM 111 C1n TOP A 1 10.438 2.836 16.750 0.00 1.00 -ATOM 112 C1o TOP A 1 9.210 4.963 10.050 0.00 1.00 -ATOM 113 C1p TOP A 1 9.210 4.963 13.400 0.00 1.00 -ATOM 114 C1q TOP A 1 9.210 4.963 16.750 0.00 1.00 -ATOM 115 C1r TOP A 1 7.982 7.090 10.050 0.00 1.00 -ATOM 116 C1s TOP A 1 7.982 7.090 13.400 0.00 1.00 -ATOM 117 C1t TOP A 1 7.982 7.090 16.750 0.00 1.00 -ATOM 118 C1u TOP A 1 6.754 9.217 10.050 0.00 1.00 -ATOM 119 C1v TOP A 1 6.754 9.217 13.400 0.00 1.00 -ATOM 120 C1w TOP A 1 6.754 9.217 16.750 0.00 1.00 -ATOM 121 C1x TOP A 1 5.526 11.344 10.050 0.00 1.00 -ATOM 122 C1y TOP A 1 5.526 11.344 13.400 0.00 1.00 -ATOM 123 C1z TOP A 1 5.526 11.344 16.750 0.00 1.00 -ATOM 124 C20 TOP A 1 4.298 13.471 10.050 0.00 1.00 -ATOM 125 C21 TOP A 1 4.298 13.471 13.400 0.00 1.00 -ATOM 126 C22 TOP A 1 4.298 13.471 16.750 0.00 1.00 -ATOM 127 C23 TOP A 1 22.718 15.597 10.050 0.00 1.00 -ATOM 128 C24 TOP A 1 22.718 15.597 13.400 0.00 1.00 -ATOM 129 C25 TOP A 1 22.718 15.597 16.750 0.00 1.00 -ATOM 130 C26 TOP A 1 21.490 17.724 10.050 0.00 1.00 -ATOM 131 C27 TOP A 1 21.490 17.724 13.400 0.00 1.00 -ATOM 132 C28 TOP A 1 21.490 17.724 16.750 0.00 1.00 -ATOM 133 C29 TOP A 1 20.262 19.851 10.050 0.00 1.00 -ATOM 134 C2A TOP A 1 20.262 19.851 13.400 0.00 1.00 -ATOM 135 C2B TOP A 1 20.262 19.851 16.750 0.00 1.00 -ATOM 136 C2C TOP A 1 19.034 21.978 10.050 0.00 1.00 -ATOM 137 C2D TOP A 1 19.034 21.978 13.400 0.00 1.00 -ATOM 138 C2E TOP A 1 19.034 21.978 16.750 0.00 1.00 -ATOM 139 C2F TOP A 1 17.806 24.105 10.050 0.00 1.00 -ATOM 140 C2G TOP A 1 17.806 24.105 13.400 0.00 1.00 -ATOM 141 C2H TOP A 1 17.806 24.105 16.750 0.00 1.00 -ATOM 142 C2I TOP A 1 16.578 26.232 10.050 0.00 1.00 -ATOM 143 C2J TOP A 1 16.578 26.232 13.400 0.00 1.00 -ATOM 144 C2K TOP A 1 16.578 26.232 16.750 0.00 1.00 -ATOM 145 C2L TOP A 1 15.350 28.359 10.050 0.00 1.00 -ATOM 146 C2M TOP A 1 15.350 28.359 13.400 0.00 1.00 -ATOM 147 C2N TOP A 1 15.350 28.359 16.750 0.00 1.00 -ATOM 148 C2O TOP A 1 14.122 0.709 10.050 0.00 1.00 -ATOM 149 C2P TOP A 1 14.122 0.709 13.400 0.00 1.00 -ATOM 150 C2Q TOP A 1 14.122 0.709 16.750 0.00 1.00 -ATOM 151 C2R TOP A 1 12.894 2.836 10.050 0.00 1.00 -ATOM 152 C2S TOP A 1 12.894 2.836 13.400 0.00 1.00 -ATOM 153 C2T TOP A 1 12.894 2.836 16.750 0.00 1.00 -ATOM 154 C2U TOP A 1 11.666 4.963 10.050 0.00 1.00 -ATOM 155 C2V TOP A 1 11.666 4.963 13.400 0.00 1.00 -ATOM 156 C2W TOP A 1 11.666 4.963 16.750 0.00 1.00 -ATOM 157 C2X TOP A 1 10.438 7.090 10.050 0.00 1.00 -ATOM 158 C2Y TOP A 1 10.438 7.090 13.400 0.00 1.00 -ATOM 159 C2Z TOP A 1 10.438 7.090 16.750 0.00 1.00 -ATOM 160 C2a TOP A 1 9.210 9.217 10.050 0.00 1.00 -ATOM 161 C2b TOP A 1 9.210 9.217 13.400 0.00 1.00 -ATOM 162 C2c TOP A 1 9.210 9.217 16.750 0.00 1.00 -ATOM 163 C2d TOP A 1 7.982 11.344 10.050 0.00 1.00 -ATOM 164 C2e TOP A 1 7.982 11.344 13.400 0.00 1.00 -ATOM 165 C2f TOP A 1 7.982 11.344 16.750 0.00 1.00 -ATOM 166 C2g TOP A 1 6.754 13.471 10.050 0.00 1.00 -ATOM 167 C2h TOP A 1 6.754 13.471 13.400 0.00 1.00 -ATOM 168 C2i TOP A 1 6.754 13.471 16.750 0.00 1.00 -ATOM 169 C2j TOP A 1 25.174 15.597 10.050 0.00 1.00 -ATOM 170 C2k TOP A 1 25.174 15.597 13.400 0.00 1.00 -ATOM 171 C2l TOP A 1 25.174 15.597 16.750 0.00 1.00 -ATOM 172 C2m TOP A 1 23.946 17.724 10.050 0.00 1.00 -ATOM 173 C2n TOP A 1 23.946 17.724 13.400 0.00 1.00 -ATOM 174 C2o TOP A 1 23.946 17.724 16.750 0.00 1.00 -ATOM 175 C2p TOP A 1 22.718 19.851 10.050 0.00 1.00 -ATOM 176 C2q TOP A 1 22.718 19.851 13.400 0.00 1.00 -ATOM 177 C2r TOP A 1 22.718 19.851 16.750 0.00 1.00 -ATOM 178 C2s TOP A 1 21.490 21.978 10.050 0.00 1.00 -ATOM 179 C2t TOP A 1 21.490 21.978 13.400 0.00 1.00 -ATOM 180 C2u TOP A 1 21.490 21.978 16.750 0.00 1.00 -ATOM 181 C2v TOP A 1 20.262 24.105 10.050 0.00 1.00 -ATOM 182 C2w TOP A 1 20.262 24.105 13.400 0.00 1.00 -ATOM 183 C2x TOP A 1 20.262 24.105 16.750 0.00 1.00 -ATOM 184 C2y TOP A 1 19.034 26.232 10.050 0.00 1.00 -ATOM 185 C2z TOP A 1 19.034 26.232 13.400 0.00 1.00 -ATOM 186 C30 TOP A 1 19.034 26.232 16.750 0.00 1.00 -ATOM 187 C31 TOP A 1 17.806 28.359 10.050 0.00 1.00 -ATOM 188 C32 TOP A 1 17.806 28.359 13.400 0.00 1.00 -ATOM 189 C33 TOP A 1 17.806 28.359 16.750 0.00 1.00 -ATOM 190 C34 TOP A 1 16.578 0.709 10.050 0.00 1.00 -ATOM 191 C35 TOP A 1 16.578 0.709 13.400 0.00 1.00 -ATOM 192 C36 TOP A 1 16.578 0.709 16.750 0.00 1.00 -ATOM 193 C37 TOP A 1 15.350 2.836 10.050 0.00 1.00 -ATOM 194 C38 TOP A 1 15.350 2.836 13.400 0.00 1.00 -ATOM 195 C39 TOP A 1 15.350 2.836 16.750 0.00 1.00 -ATOM 196 C3A TOP A 1 14.122 4.963 10.050 0.00 1.00 -ATOM 197 C3B TOP A 1 14.122 4.963 13.400 0.00 1.00 -ATOM 198 C3C TOP A 1 14.122 4.963 16.750 0.00 1.00 -ATOM 199 C3D TOP A 1 12.894 7.090 10.050 0.00 1.00 -ATOM 200 C3E TOP A 1 12.894 7.090 13.400 0.00 1.00 -ATOM 201 C3F TOP A 1 12.894 7.090 16.750 0.00 1.00 -ATOM 202 C3G TOP A 1 11.666 9.217 10.050 0.00 1.00 -ATOM 203 C3H TOP A 1 11.666 9.217 13.400 0.00 1.00 -ATOM 204 C3I TOP A 1 11.666 9.217 16.750 0.00 1.00 -ATOM 205 C3J TOP A 1 10.438 11.344 10.050 0.00 1.00 -ATOM 206 C3K TOP A 1 10.438 11.344 13.400 0.00 1.00 -ATOM 207 C3L TOP A 1 10.438 11.344 16.750 0.00 1.00 -ATOM 208 C3M TOP A 1 9.210 13.471 10.050 0.00 1.00 -ATOM 209 C3N TOP A 1 9.210 13.471 13.400 0.00 1.00 -ATOM 210 C3O TOP A 1 9.210 13.471 16.750 0.00 1.00 -ATOM 211 C3P TOP A 1 27.630 15.597 10.050 0.00 1.00 -ATOM 212 C3Q TOP A 1 27.630 15.597 13.400 0.00 1.00 -ATOM 213 C3R TOP A 1 27.630 15.597 16.750 0.00 1.00 -ATOM 214 C3S TOP A 1 26.402 17.724 10.050 0.00 1.00 -ATOM 215 C3T TOP A 1 26.402 17.724 13.400 0.00 1.00 -ATOM 216 C3U TOP A 1 26.402 17.724 16.750 0.00 1.00 -ATOM 217 C3V TOP A 1 25.174 19.851 10.050 0.00 1.00 -ATOM 218 C3W TOP A 1 25.174 19.851 13.400 0.00 1.00 -ATOM 219 C3X TOP A 1 25.174 19.851 16.750 0.00 1.00 -ATOM 220 C3Y TOP A 1 23.946 21.978 10.050 0.00 1.00 -ATOM 221 C3Z TOP A 1 23.946 21.978 13.400 0.00 1.00 -ATOM 222 C3a TOP A 1 23.946 21.978 16.750 0.00 1.00 -ATOM 223 C3b TOP A 1 22.718 24.105 10.050 0.00 1.00 -ATOM 224 C3c TOP A 1 22.718 24.105 13.400 0.00 1.00 -ATOM 225 C3d TOP A 1 22.718 24.105 16.750 0.00 1.00 -ATOM 226 C3e TOP A 1 21.490 26.232 10.050 0.00 1.00 -ATOM 227 C3f TOP A 1 21.490 26.232 13.400 0.00 1.00 -ATOM 228 C3g TOP A 1 21.490 26.232 16.750 0.00 1.00 -ATOM 229 C3h TOP A 1 20.262 28.359 10.050 0.00 1.00 -ATOM 230 C3i TOP A 1 20.262 28.359 13.400 0.00 1.00 -ATOM 231 C3j TOP A 1 20.262 28.359 16.750 0.00 1.00 -ATOM 232 C3k TOP A 1 19.034 0.709 10.050 0.00 1.00 -ATOM 233 C3l TOP A 1 19.034 0.709 13.400 0.00 1.00 -ATOM 234 C3m TOP A 1 19.034 0.709 16.750 0.00 1.00 -ATOM 235 C3n TOP A 1 17.806 2.836 10.050 0.00 1.00 -ATOM 236 C3o TOP A 1 17.806 2.836 13.400 0.00 1.00 -ATOM 237 C3p TOP A 1 17.806 2.836 16.750 0.00 1.00 -ATOM 238 C3q TOP A 1 16.578 4.963 10.050 0.00 1.00 -ATOM 239 C3r TOP A 1 16.578 4.963 13.400 0.00 1.00 -ATOM 240 C3s TOP A 1 16.578 4.963 16.750 0.00 1.00 -ATOM 241 C3t TOP A 1 15.350 7.090 10.050 0.00 1.00 -ATOM 242 C3u TOP A 1 15.350 7.090 13.400 0.00 1.00 -ATOM 243 C3v TOP A 1 15.350 7.090 16.750 0.00 1.00 -ATOM 244 C3w TOP A 1 14.122 9.217 10.050 0.00 1.00 -ATOM 245 C3x TOP A 1 14.122 9.217 13.400 0.00 1.00 -ATOM 246 C3y TOP A 1 14.122 9.217 16.750 0.00 1.00 -ATOM 247 C3z TOP A 1 12.894 11.344 10.050 0.00 1.00 -ATOM 248 C40 TOP A 1 12.894 11.344 13.400 0.00 1.00 -ATOM 249 C41 TOP A 1 12.894 11.344 16.750 0.00 1.00 -ATOM 250 C42 TOP A 1 11.666 13.471 10.050 0.00 1.00 -ATOM 251 C43 TOP A 1 11.666 13.471 13.400 0.00 1.00 -ATOM 252 C44 TOP A 1 11.666 13.471 16.750 0.00 1.00 -ATOM 253 C45 TOP A 1 0.614 15.597 10.050 0.00 1.00 -ATOM 254 C46 TOP A 1 0.614 15.597 13.400 0.00 1.00 -ATOM 255 C47 TOP A 1 0.614 15.597 16.750 0.00 1.00 -ATOM 256 C48 TOP A 1 28.858 17.724 10.050 0.00 1.00 -ATOM 257 C49 TOP A 1 28.858 17.724 13.400 0.00 1.00 -ATOM 258 C4A TOP A 1 28.858 17.724 16.750 0.00 1.00 -ATOM 259 C4B TOP A 1 27.630 19.851 10.050 0.00 1.00 -ATOM 260 C4C TOP A 1 27.630 19.851 13.400 0.00 1.00 -ATOM 261 C4D TOP A 1 27.630 19.851 16.750 0.00 1.00 -ATOM 262 C4E TOP A 1 26.402 21.978 10.050 0.00 1.00 -ATOM 263 C4F TOP A 1 26.402 21.978 13.400 0.00 1.00 -ATOM 264 C4G TOP A 1 26.402 21.978 16.750 0.00 1.00 -ATOM 265 C4H TOP A 1 25.174 24.105 10.050 0.00 1.00 -ATOM 266 C4I TOP A 1 25.174 24.105 13.400 0.00 1.00 -ATOM 267 C4J TOP A 1 25.174 24.105 16.750 0.00 1.00 -ATOM 268 C4K TOP A 1 23.946 26.232 10.050 0.00 1.00 -ATOM 269 C4L TOP A 1 23.946 26.232 13.400 0.00 1.00 -ATOM 270 C4M TOP A 1 23.946 26.232 16.750 0.00 1.00 -ATOM 271 C4N TOP A 1 22.718 28.359 10.050 0.00 1.00 -ATOM 272 C4O TOP A 1 22.718 28.359 13.400 0.00 1.00 -ATOM 273 C4P TOP A 1 22.718 28.359 16.750 0.00 1.00 -ATOM 274 C4Q TOP A 1 21.490 0.709 10.050 0.00 1.00 -ATOM 275 C4R TOP A 1 21.490 0.709 13.400 0.00 1.00 -ATOM 276 C4S TOP A 1 21.490 0.709 16.750 0.00 1.00 -ATOM 277 C4T TOP A 1 20.262 2.836 10.050 0.00 1.00 -ATOM 278 C4U TOP A 1 20.262 2.836 13.400 0.00 1.00 -ATOM 279 C4V TOP A 1 20.262 2.836 16.750 0.00 1.00 -ATOM 280 C4W TOP A 1 19.034 4.963 10.050 0.00 1.00 -ATOM 281 C4X TOP A 1 19.034 4.963 13.400 0.00 1.00 -ATOM 282 C4Y TOP A 1 19.034 4.963 16.750 0.00 1.00 -ATOM 283 C4Z TOP A 1 17.806 7.090 10.050 0.00 1.00 -ATOM 284 C4a TOP A 1 17.806 7.090 13.400 0.00 1.00 -ATOM 285 C4b TOP A 1 17.806 7.090 16.750 0.00 1.00 -ATOM 286 C4c TOP A 1 16.578 9.217 10.050 0.00 1.00 -ATOM 287 C4d TOP A 1 16.578 9.217 13.400 0.00 1.00 -ATOM 288 C4e TOP A 1 16.578 9.217 16.750 0.00 1.00 -ATOM 289 C4f TOP A 1 15.350 11.344 10.050 0.00 1.00 -ATOM 290 C4g TOP A 1 15.350 11.344 13.400 0.00 1.00 -ATOM 291 C4h TOP A 1 15.350 11.344 16.750 0.00 1.00 -ATOM 292 C4i TOP A 1 14.122 13.471 10.050 0.00 1.00 -ATOM 293 C4j TOP A 1 14.122 13.471 13.400 0.00 1.00 -ATOM 294 C4k TOP A 1 14.122 13.471 16.750 0.00 1.00 -ATOM 295 C4l TOP A 1 3.070 15.597 10.050 0.00 1.00 -ATOM 296 C4m TOP A 1 3.070 15.597 13.400 0.00 1.00 -ATOM 297 C4n TOP A 1 3.070 15.597 16.750 0.00 1.00 -ATOM 298 C4o TOP A 1 1.842 17.724 10.050 0.00 1.00 -ATOM 299 C4p TOP A 1 1.842 17.724 13.400 0.00 1.00 -ATOM 300 C4q TOP A 1 1.842 17.724 16.750 0.00 1.00 -ATOM 301 C4r TOP A 1 0.614 19.851 10.050 0.00 1.00 -ATOM 302 C4s TOP A 1 0.614 19.851 13.400 0.00 1.00 -ATOM 303 C4t TOP A 1 0.614 19.851 16.750 0.00 1.00 -ATOM 304 C4u TOP A 1 28.858 21.978 10.050 0.00 1.00 -ATOM 305 C4v TOP A 1 28.858 21.978 13.400 0.00 1.00 -ATOM 306 C4w TOP A 1 28.858 21.978 16.750 0.00 1.00 -ATOM 307 C4x TOP A 1 27.630 24.105 10.050 0.00 1.00 -ATOM 308 C4y TOP A 1 27.630 24.105 13.400 0.00 1.00 -ATOM 309 C4z TOP A 1 27.630 24.105 16.750 0.00 1.00 -ATOM 310 C50 TOP A 1 26.402 26.232 10.050 0.00 1.00 -ATOM 311 C51 TOP A 1 26.402 26.232 13.400 0.00 1.00 -ATOM 312 C52 TOP A 1 26.402 26.232 16.750 0.00 1.00 -ATOM 313 C53 TOP A 1 25.174 28.359 10.050 0.00 1.00 -ATOM 314 C54 TOP A 1 25.174 28.359 13.400 0.00 1.00 -ATOM 315 C55 TOP A 1 25.174 28.359 16.750 0.00 1.00 -ATOM 316 C56 TOP A 1 23.946 0.709 10.050 0.00 1.00 -ATOM 317 C57 TOP A 1 23.946 0.709 13.400 0.00 1.00 -ATOM 318 C58 TOP A 1 23.946 0.709 16.750 0.00 1.00 -ATOM 319 C59 TOP A 1 22.718 2.836 10.050 0.00 1.00 -ATOM 320 C5A TOP A 1 22.718 2.836 13.400 0.00 1.00 -ATOM 321 C5B TOP A 1 22.718 2.836 16.750 0.00 1.00 -ATOM 322 C5C TOP A 1 21.490 4.963 10.050 0.00 1.00 -ATOM 323 C5D TOP A 1 21.490 4.963 13.400 0.00 1.00 -ATOM 324 C5E TOP A 1 21.490 4.963 16.750 0.00 1.00 -ATOM 325 C5F TOP A 1 20.262 7.090 10.050 0.00 1.00 -ATOM 326 C5G TOP A 1 20.262 7.090 13.400 0.00 1.00 -ATOM 327 C5H TOP A 1 20.262 7.090 16.750 0.00 1.00 -ATOM 328 C5I TOP A 1 19.034 9.217 10.050 0.00 1.00 -ATOM 329 C5J TOP A 1 19.034 9.217 13.400 0.00 1.00 -ATOM 330 C5K TOP A 1 19.034 9.217 16.750 0.00 1.00 -ATOM 331 C5L TOP A 1 17.806 11.344 10.050 0.00 1.00 -ATOM 332 C5M TOP A 1 17.806 11.344 13.400 0.00 1.00 -ATOM 333 C5N TOP A 1 17.806 11.344 16.750 0.00 1.00 -ATOM 334 C5O TOP A 1 16.578 13.471 10.050 0.00 1.00 -ATOM 335 C5P TOP A 1 16.578 13.471 13.400 0.00 1.00 -ATOM 336 C5Q TOP A 1 16.578 13.471 16.750 0.00 1.00 -ATOM 337 C5R TOP A 1 5.526 15.597 10.050 0.00 1.00 -ATOM 338 C5S TOP A 1 5.526 15.597 13.400 0.00 1.00 -ATOM 339 C5T TOP A 1 5.526 15.597 16.750 0.00 1.00 -ATOM 340 C5U TOP A 1 4.298 17.724 10.050 0.00 1.00 -ATOM 341 C5V TOP A 1 4.298 17.724 13.400 0.00 1.00 -ATOM 342 C5W TOP A 1 4.298 17.724 16.750 0.00 1.00 -ATOM 343 C5X TOP A 1 3.070 19.851 10.050 0.00 1.00 -ATOM 344 C5Y TOP A 1 3.070 19.851 13.400 0.00 1.00 -ATOM 345 C5Z TOP A 1 3.070 19.851 16.750 0.00 1.00 -ATOM 346 C5a TOP A 1 1.842 21.978 10.050 0.00 1.00 -ATOM 347 C5b TOP A 1 1.842 21.978 13.400 0.00 1.00 -ATOM 348 C5c TOP A 1 1.842 21.978 16.750 0.00 1.00 -ATOM 349 C5d TOP A 1 0.614 24.105 10.050 0.00 1.00 -ATOM 350 C5e TOP A 1 0.614 24.105 13.400 0.00 1.00 -ATOM 351 C5f TOP A 1 0.614 24.105 16.750 0.00 1.00 -ATOM 352 C5g TOP A 1 28.858 26.232 10.050 0.00 1.00 -ATOM 353 C5h TOP A 1 28.858 26.232 13.400 0.00 1.00 -ATOM 354 C5i TOP A 1 28.858 26.232 16.750 0.00 1.00 -ATOM 355 C5j TOP A 1 27.630 28.359 10.050 0.00 1.00 -ATOM 356 C5k TOP A 1 27.630 28.359 13.400 0.00 1.00 -ATOM 357 C5l TOP A 1 27.630 28.359 16.750 0.00 1.00 -ATOM 358 C5m TOP A 1 26.402 0.709 10.050 0.00 1.00 -ATOM 359 C5n TOP A 1 26.402 0.709 13.400 0.00 1.00 -ATOM 360 C5o TOP A 1 26.402 0.709 16.750 0.00 1.00 -ATOM 361 C5p TOP A 1 25.174 2.836 10.050 0.00 1.00 -ATOM 362 C5q TOP A 1 25.174 2.836 13.400 0.00 1.00 -ATOM 363 C5r TOP A 1 25.174 2.836 16.750 0.00 1.00 -ATOM 364 C5s TOP A 1 23.946 4.963 10.050 0.00 1.00 -ATOM 365 C5t TOP A 1 23.946 4.963 13.400 0.00 1.00 -ATOM 366 C5u TOP A 1 23.946 4.963 16.750 0.00 1.00 -ATOM 367 C5v TOP A 1 22.718 7.090 10.050 0.00 1.00 -ATOM 368 C5w TOP A 1 22.718 7.090 13.400 0.00 1.00 -ATOM 369 C5x TOP A 1 22.718 7.090 16.750 0.00 1.00 -ATOM 370 C5y TOP A 1 21.490 9.217 10.050 0.00 1.00 -ATOM 371 C5z TOP A 1 21.490 9.217 13.400 0.00 1.00 -ATOM 372 C60 TOP A 1 21.490 9.217 16.750 0.00 1.00 -ATOM 373 C61 TOP A 1 20.262 11.344 10.050 0.00 1.00 -ATOM 374 C62 TOP A 1 20.262 11.344 13.400 0.00 1.00 -ATOM 375 C63 TOP A 1 20.262 11.344 16.750 0.00 1.00 -ATOM 376 C64 TOP A 1 19.034 13.471 10.050 0.00 1.00 -ATOM 377 C65 TOP A 1 19.034 13.471 13.400 0.00 1.00 -ATOM 378 C66 TOP A 1 19.034 13.471 16.750 0.00 1.00 -ATOM 379 C67 TOP A 1 7.982 15.597 10.050 0.00 1.00 -ATOM 380 C68 TOP A 1 7.982 15.597 13.400 0.00 1.00 -ATOM 381 C69 TOP A 1 7.982 15.597 16.750 0.00 1.00 -ATOM 382 C6A TOP A 1 6.754 17.724 10.050 0.00 1.00 -ATOM 383 C6B TOP A 1 6.754 17.724 13.400 0.00 1.00 -ATOM 384 C6C TOP A 1 6.754 17.724 16.750 0.00 1.00 -ATOM 385 C6D TOP A 1 5.526 19.851 10.050 0.00 1.00 -ATOM 386 C6E TOP A 1 5.526 19.851 13.400 0.00 1.00 -ATOM 387 C6F TOP A 1 5.526 19.851 16.750 0.00 1.00 -ATOM 388 C6G TOP A 1 4.298 21.978 10.050 0.00 1.00 -ATOM 389 C6H TOP A 1 4.298 21.978 13.400 0.00 1.00 -ATOM 390 C6I TOP A 1 4.298 21.978 16.750 0.00 1.00 -ATOM 391 C6J TOP A 1 3.070 24.105 10.050 0.00 1.00 -ATOM 392 C6K TOP A 1 3.070 24.105 13.400 0.00 1.00 -ATOM 393 C6L TOP A 1 3.070 24.105 16.750 0.00 1.00 -ATOM 394 C6M TOP A 1 1.842 26.232 10.050 0.00 1.00 -ATOM 395 C6N TOP A 1 1.842 26.232 13.400 0.00 1.00 -ATOM 396 C6O TOP A 1 1.842 26.232 16.750 0.00 1.00 -ATOM 397 C6P TOP A 1 0.614 28.359 10.050 0.00 1.00 -ATOM 398 C6Q TOP A 1 0.614 28.359 13.400 0.00 1.00 -ATOM 399 C6R TOP A 1 0.614 28.359 16.750 0.00 1.00 -ATOM 400 C6S TOP A 1 28.858 0.709 10.050 0.00 1.00 -ATOM 401 C6T TOP A 1 28.858 0.709 13.400 0.00 1.00 -ATOM 402 C6U TOP A 1 28.858 0.709 16.750 0.00 1.00 -ATOM 403 C6V TOP A 1 27.630 2.836 10.050 0.00 1.00 -ATOM 404 C6W TOP A 1 27.630 2.836 13.400 0.00 1.00 -ATOM 405 C6X TOP A 1 27.630 2.836 16.750 0.00 1.00 -ATOM 406 C6Y TOP A 1 26.402 4.963 10.050 0.00 1.00 -ATOM 407 C6Z TOP A 1 26.402 4.963 13.400 0.00 1.00 -ATOM 408 C6a TOP A 1 26.402 4.963 16.750 0.00 1.00 -ATOM 409 C6b TOP A 1 25.174 7.090 10.050 0.00 1.00 -ATOM 410 C6c TOP A 1 25.174 7.090 13.400 0.00 1.00 -ATOM 411 C6d TOP A 1 25.174 7.090 16.750 0.00 1.00 -ATOM 412 C6e TOP A 1 23.946 9.217 10.050 0.00 1.00 -ATOM 413 C6f TOP A 1 23.946 9.217 13.400 0.00 1.00 -ATOM 414 C6g TOP A 1 23.946 9.217 16.750 0.00 1.00 -ATOM 415 C6h TOP A 1 22.718 11.344 10.050 0.00 1.00 -ATOM 416 C6i TOP A 1 22.718 11.344 13.400 0.00 1.00 -ATOM 417 C6j TOP A 1 22.718 11.344 16.750 0.00 1.00 -ATOM 418 C6k TOP A 1 21.490 13.471 10.050 0.00 1.00 -ATOM 419 C6l TOP A 1 21.490 13.471 13.400 0.00 1.00 -ATOM 420 C6m TOP A 1 21.490 13.471 16.750 0.00 1.00 -ATOM 421 C6n TOP A 1 10.438 15.597 10.050 0.00 1.00 -ATOM 422 C6o TOP A 1 10.438 15.597 13.400 0.00 1.00 -ATOM 423 C6p TOP A 1 10.438 15.597 16.750 0.00 1.00 -ATOM 424 C6q TOP A 1 9.210 17.724 10.050 0.00 1.00 -ATOM 425 C6r TOP A 1 9.210 17.724 13.400 0.00 1.00 -ATOM 426 C6s TOP A 1 9.210 17.724 16.750 0.00 1.00 -ATOM 427 C6t TOP A 1 7.982 19.851 10.050 0.00 1.00 -ATOM 428 C6u TOP A 1 7.982 19.851 13.400 0.00 1.00 -ATOM 429 C6v TOP A 1 7.982 19.851 16.750 0.00 1.00 -ATOM 430 C6w TOP A 1 6.754 21.978 10.050 0.00 1.00 -ATOM 431 C6x TOP A 1 6.754 21.978 13.400 0.00 1.00 -ATOM 432 C6y TOP A 1 6.754 21.978 16.750 0.00 1.00 -ATOM 433 C6z TOP A 1 5.526 24.105 10.050 0.00 1.00 -ATOM 434 C70 TOP A 1 5.526 24.105 13.400 0.00 1.00 -ATOM 435 C71 TOP A 1 5.526 24.105 16.750 0.00 1.00 -ATOM 436 C72 TOP A 1 4.298 26.232 10.050 0.00 1.00 -ATOM 437 C73 TOP A 1 4.298 26.232 13.400 0.00 1.00 -ATOM 438 C74 TOP A 1 4.298 26.232 16.750 0.00 1.00 -ATOM 439 C75 TOP A 1 3.070 28.359 10.050 0.00 1.00 -ATOM 440 C76 TOP A 1 3.070 28.359 13.400 0.00 1.00 -ATOM 441 C77 TOP A 1 3.070 28.359 16.750 0.00 1.00 -ATOM 442 C78 TOP A 1 1.842 0.709 10.050 0.00 1.00 -ATOM 443 C79 TOP A 1 1.842 0.709 13.400 0.00 1.00 -ATOM 444 C7A TOP A 1 1.842 0.709 16.750 0.00 1.00 -ATOM 445 C7B TOP A 1 0.614 2.836 10.050 0.00 1.00 -ATOM 446 C7C TOP A 1 0.614 2.836 13.400 0.00 1.00 -ATOM 447 C7D TOP A 1 0.614 2.836 16.750 0.00 1.00 -ATOM 448 C7E TOP A 1 28.858 4.963 10.050 0.00 1.00 -ATOM 449 C7F TOP A 1 28.858 4.963 13.400 0.00 1.00 -ATOM 450 C7G TOP A 1 28.858 4.963 16.750 0.00 1.00 -ATOM 451 C7H TOP A 1 27.630 7.090 10.050 0.00 1.00 -ATOM 452 C7I TOP A 1 27.630 7.090 13.400 0.00 1.00 -ATOM 453 C7J TOP A 1 27.630 7.090 16.750 0.00 1.00 -ATOM 454 C7K TOP A 1 26.402 9.217 10.050 0.00 1.00 -ATOM 455 C7L TOP A 1 26.402 9.217 13.400 0.00 1.00 -ATOM 456 C7M TOP A 1 26.402 9.217 16.750 0.00 1.00 -ATOM 457 C7N TOP A 1 25.174 11.344 10.050 0.00 1.00 -ATOM 458 C7O TOP A 1 25.174 11.344 13.400 0.00 1.00 -ATOM 459 C7P TOP A 1 25.174 11.344 16.750 0.00 1.00 -ATOM 460 C7Q TOP A 1 23.946 13.471 10.050 0.00 1.00 -ATOM 461 C7R TOP A 1 23.946 13.471 13.400 0.00 1.00 -ATOM 462 C7S TOP A 1 23.946 13.471 16.750 0.00 1.00 -ATOM 463 C7T TOP A 1 12.894 15.597 10.050 0.00 1.00 -ATOM 464 C7U TOP A 1 12.894 15.597 13.400 0.00 1.00 -ATOM 465 C7V TOP A 1 12.894 15.597 16.750 0.00 1.00 -ATOM 466 C7W TOP A 1 11.666 17.724 10.050 0.00 1.00 -ATOM 467 C7X TOP A 1 11.666 17.724 13.400 0.00 1.00 -ATOM 468 C7Y TOP A 1 11.666 17.724 16.750 0.00 1.00 -ATOM 469 C7Z TOP A 1 10.438 19.851 10.050 0.00 1.00 -ATOM 470 C7a TOP A 1 10.438 19.851 13.400 0.00 1.00 -ATOM 471 C7b TOP A 1 10.438 19.851 16.750 0.00 1.00 -ATOM 472 C7c TOP A 1 9.210 21.978 10.050 0.00 1.00 -ATOM 473 C7d TOP A 1 9.210 21.978 13.400 0.00 1.00 -ATOM 474 C7e TOP A 1 9.210 21.978 16.750 0.00 1.00 -ATOM 475 C7f TOP A 1 7.982 24.105 10.050 0.00 1.00 -ATOM 476 C7g TOP A 1 7.982 24.105 13.400 0.00 1.00 -ATOM 477 C7h TOP A 1 7.982 24.105 16.750 0.00 1.00 -ATOM 478 C7i TOP A 1 6.754 26.232 10.050 0.00 1.00 -ATOM 479 C7j TOP A 1 6.754 26.232 13.400 0.00 1.00 -ATOM 480 C7k TOP A 1 6.754 26.232 16.750 0.00 1.00 -ATOM 481 C7l TOP A 1 5.526 28.359 10.050 0.00 1.00 -ATOM 482 C7m TOP A 1 5.526 28.359 13.400 0.00 1.00 -ATOM 483 C7n TOP A 1 5.526 28.359 16.750 0.00 1.00 -ATOM 484 C7o TOP A 1 4.298 0.709 10.050 0.00 1.00 -ATOM 485 C7p TOP A 1 4.298 0.709 13.400 0.00 1.00 -ATOM 486 C7q TOP A 1 4.298 0.709 16.750 0.00 1.00 -ATOM 487 C7r TOP A 1 3.070 2.836 10.050 0.00 1.00 -ATOM 488 C7s TOP A 1 3.070 2.836 13.400 0.00 1.00 -ATOM 489 C7t TOP A 1 3.070 2.836 16.750 0.00 1.00 -ATOM 490 C7u TOP A 1 1.842 4.963 10.050 0.00 1.00 -ATOM 491 C7v TOP A 1 1.842 4.963 13.400 0.00 1.00 -ATOM 492 C7w TOP A 1 1.842 4.963 16.750 0.00 1.00 -ATOM 493 C7x TOP A 1 0.614 7.090 10.050 0.00 1.00 -ATOM 494 C7y TOP A 1 0.614 7.090 13.400 0.00 1.00 -ATOM 495 C7z TOP A 1 0.614 7.090 16.750 0.00 1.00 -ATOM 496 C80 TOP A 1 28.858 9.217 10.050 0.00 1.00 -ATOM 497 C81 TOP A 1 28.858 9.217 13.400 0.00 1.00 -ATOM 498 C82 TOP A 1 28.858 9.217 16.750 0.00 1.00 -ATOM 499 C83 TOP A 1 27.630 11.344 10.050 0.00 1.00 -ATOM 500 C84 TOP A 1 27.630 11.344 13.400 0.00 1.00 -ATOM 501 C85 TOP A 1 27.630 11.344 16.750 0.00 1.00 -ATOM 502 C86 TOP A 1 26.402 13.471 10.050 0.00 1.00 -ATOM 503 C87 TOP A 1 26.402 13.471 13.400 0.00 1.00 -ATOM 504 C88 TOP A 1 26.402 13.471 16.750 0.00 1.00 -ATOM 505 C89 TOP A 1 16.578 16.306 10.050 0.00 1.00 -ATOM 506 C8A TOP A 1 16.578 16.306 13.400 0.00 1.00 -ATOM 507 C8B TOP A 1 16.578 16.306 16.750 0.00 1.00 -ATOM 508 C8C TOP A 1 15.350 18.433 10.050 0.00 1.00 -ATOM 509 C8D TOP A 1 15.350 18.433 13.400 0.00 1.00 -ATOM 510 C8E TOP A 1 15.350 18.433 16.750 0.00 1.00 -ATOM 511 C8F TOP A 1 14.122 20.560 10.050 0.00 1.00 -ATOM 512 C8G TOP A 1 14.122 20.560 13.400 0.00 1.00 -ATOM 513 C8H TOP A 1 14.122 20.560 16.750 0.00 1.00 -ATOM 514 C8I TOP A 1 12.894 22.687 10.050 0.00 1.00 -ATOM 515 C8J TOP A 1 12.894 22.687 13.400 0.00 1.00 -ATOM 516 C8K TOP A 1 12.894 22.687 16.750 0.00 1.00 -ATOM 517 C8L TOP A 1 11.666 24.814 10.050 0.00 1.00 -ATOM 518 C8M TOP A 1 11.666 24.814 13.400 0.00 1.00 -ATOM 519 C8N TOP A 1 11.666 24.814 16.750 0.00 1.00 -ATOM 520 C8O TOP A 1 10.438 26.941 10.050 0.00 1.00 -ATOM 521 C8P TOP A 1 10.438 26.941 13.400 0.00 1.00 -ATOM 522 C8Q TOP A 1 10.438 26.941 16.750 0.00 1.00 -ATOM 523 C8R TOP A 1 9.210 29.068 10.050 0.00 1.00 -ATOM 524 C8S TOP A 1 9.210 29.068 13.400 0.00 1.00 -ATOM 525 C8T TOP A 1 9.210 29.068 16.750 0.00 1.00 -ATOM 526 C8U TOP A 1 7.982 1.418 10.050 0.00 1.00 -ATOM 527 C8V TOP A 1 7.982 1.418 13.400 0.00 1.00 -ATOM 528 C8W TOP A 1 7.982 1.418 16.750 0.00 1.00 -ATOM 529 C8X TOP A 1 6.754 3.545 10.050 0.00 1.00 -ATOM 530 C8Y TOP A 1 6.754 3.545 13.400 0.00 1.00 -ATOM 531 C8Z TOP A 1 6.754 3.545 16.750 0.00 1.00 -ATOM 532 C8a TOP A 1 5.526 5.672 10.050 0.00 1.00 -ATOM 533 C8b TOP A 1 5.526 5.672 13.400 0.00 1.00 -ATOM 534 C8c TOP A 1 5.526 5.672 16.750 0.00 1.00 -ATOM 535 C8d TOP A 1 4.298 7.799 10.050 0.00 1.00 -ATOM 536 C8e TOP A 1 4.298 7.799 13.400 0.00 1.00 -ATOM 537 C8f TOP A 1 4.298 7.799 16.750 0.00 1.00 -ATOM 538 C8g TOP A 1 3.070 9.926 10.050 0.00 1.00 -ATOM 539 C8h TOP A 1 3.070 9.926 13.400 0.00 1.00 -ATOM 540 C8i TOP A 1 3.070 9.926 16.750 0.00 1.00 -ATOM 541 C8j TOP A 1 1.842 12.053 10.050 0.00 1.00 -ATOM 542 C8k TOP A 1 1.842 12.053 13.400 0.00 1.00 -ATOM 543 C8l TOP A 1 1.842 12.053 16.750 0.00 1.00 -ATOM 544 C8m TOP A 1 0.614 14.180 10.050 0.00 1.00 -ATOM 545 C8n TOP A 1 0.614 14.180 13.400 0.00 1.00 -ATOM 546 C8o TOP A 1 0.614 14.180 16.750 0.00 1.00 -ATOM 547 C8p TOP A 1 19.034 16.306 10.050 0.00 1.00 -ATOM 548 C8q TOP A 1 19.034 16.306 13.400 0.00 1.00 -ATOM 549 C8r TOP A 1 19.034 16.306 16.750 0.00 1.00 -ATOM 550 C8s TOP A 1 17.806 18.433 10.050 0.00 1.00 -ATOM 551 C8t TOP A 1 17.806 18.433 13.400 0.00 1.00 -ATOM 552 C8u TOP A 1 17.806 18.433 16.750 0.00 1.00 -ATOM 553 C8v TOP A 1 16.578 20.560 10.050 0.00 1.00 -ATOM 554 C8w TOP A 1 16.578 20.560 13.400 0.00 1.00 -ATOM 555 C8x TOP A 1 16.578 20.560 16.750 0.00 1.00 -ATOM 556 C8y TOP A 1 15.350 22.687 10.050 0.00 1.00 -ATOM 557 C8z TOP A 1 15.350 22.687 13.400 0.00 1.00 -ATOM 558 C90 TOP A 1 15.350 22.687 16.750 0.00 1.00 -ATOM 559 C91 TOP A 1 14.122 24.814 10.050 0.00 1.00 -ATOM 560 C92 TOP A 1 14.122 24.814 13.400 0.00 1.00 -ATOM 561 C93 TOP A 1 14.122 24.814 16.750 0.00 1.00 -ATOM 562 C94 TOP A 1 12.894 26.941 10.050 0.00 1.00 -ATOM 563 C95 TOP A 1 12.894 26.941 13.400 0.00 1.00 -ATOM 564 C96 TOP A 1 12.894 26.941 16.750 0.00 1.00 -ATOM 565 C97 TOP A 1 11.666 29.068 10.050 0.00 1.00 -ATOM 566 C98 TOP A 1 11.666 29.068 13.400 0.00 1.00 -ATOM 567 C99 TOP A 1 11.666 29.068 16.750 0.00 1.00 -ATOM 568 C9A TOP A 1 10.438 1.418 10.050 0.00 1.00 -ATOM 569 C9B TOP A 1 10.438 1.418 13.400 0.00 1.00 -ATOM 570 C9C TOP A 1 10.438 1.418 16.750 0.00 1.00 -ATOM 571 C9D TOP A 1 9.210 3.545 10.050 0.00 1.00 -ATOM 572 C9E TOP A 1 9.210 3.545 13.400 0.00 1.00 -ATOM 573 C9F TOP A 1 9.210 3.545 16.750 0.00 1.00 -ATOM 574 C9G TOP A 1 7.982 5.672 10.050 0.00 1.00 -ATOM 575 C9H TOP A 1 7.982 5.672 13.400 0.00 1.00 -ATOM 576 C9I TOP A 1 7.982 5.672 16.750 0.00 1.00 -ATOM 577 C9J TOP A 1 6.754 7.799 10.050 0.00 1.00 -ATOM 578 C9K TOP A 1 6.754 7.799 13.400 0.00 1.00 -ATOM 579 C9L TOP A 1 6.754 7.799 16.750 0.00 1.00 -ATOM 580 C9M TOP A 1 5.526 9.926 10.050 0.00 1.00 -ATOM 581 C9N TOP A 1 5.526 9.926 13.400 0.00 1.00 -ATOM 582 C9O TOP A 1 5.526 9.926 16.750 0.00 1.00 -ATOM 583 C9P TOP A 1 4.298 12.053 10.050 0.00 1.00 -ATOM 584 C9Q TOP A 1 4.298 12.053 13.400 0.00 1.00 -ATOM 585 C9R TOP A 1 4.298 12.053 16.750 0.00 1.00 -ATOM 586 C9S TOP A 1 3.070 14.180 10.050 0.00 1.00 -ATOM 587 C9T TOP A 1 3.070 14.180 13.400 0.00 1.00 -ATOM 588 C9U TOP A 1 3.070 14.180 16.750 0.00 1.00 -ATOM 589 C9V TOP A 1 21.490 16.306 10.050 0.00 1.00 -ATOM 590 C9W TOP A 1 21.490 16.306 13.400 0.00 1.00 -ATOM 591 C9X TOP A 1 21.490 16.306 16.750 0.00 1.00 -ATOM 592 C9Y TOP A 1 20.262 18.433 10.050 0.00 1.00 -ATOM 593 C9Z TOP A 1 20.262 18.433 13.400 0.00 1.00 -ATOM 594 C9a TOP A 1 20.262 18.433 16.750 0.00 1.00 -ATOM 595 C9b TOP A 1 19.034 20.560 10.050 0.00 1.00 -ATOM 596 C9c TOP A 1 19.034 20.560 13.400 0.00 1.00 -ATOM 597 C9d TOP A 1 19.034 20.560 16.750 0.00 1.00 -ATOM 598 C9e TOP A 1 17.806 22.687 10.050 0.00 1.00 -ATOM 599 C9f TOP A 1 17.806 22.687 13.400 0.00 1.00 -ATOM 600 C9g TOP A 1 17.806 22.687 16.750 0.00 1.00 -ATOM 601 C9h TOP A 1 16.578 24.814 10.050 0.00 1.00 -ATOM 602 C9i TOP A 1 16.578 24.814 13.400 0.00 1.00 -ATOM 603 C9j TOP A 1 16.578 24.814 16.750 0.00 1.00 -ATOM 604 C9k TOP A 1 15.350 26.941 10.050 0.00 1.00 -ATOM 605 C9l TOP A 1 15.350 26.941 13.400 0.00 1.00 -ATOM 606 C9m TOP A 1 15.350 26.941 16.750 0.00 1.00 -ATOM 607 C9n TOP A 1 14.122 29.068 10.050 0.00 1.00 -ATOM 608 C9o TOP A 1 14.122 29.068 13.400 0.00 1.00 -ATOM 609 C9p TOP A 1 14.122 29.068 16.750 0.00 1.00 -ATOM 610 C9q TOP A 1 12.894 1.418 10.050 0.00 1.00 -ATOM 611 C9r TOP A 1 12.894 1.418 13.400 0.00 1.00 -ATOM 612 C9s TOP A 1 12.894 1.418 16.750 0.00 1.00 -ATOM 613 C9t TOP A 1 11.666 3.545 10.050 0.00 1.00 -ATOM 614 C9u TOP A 1 11.666 3.545 13.400 0.00 1.00 -ATOM 615 C9v TOP A 1 11.666 3.545 16.750 0.00 1.00 -ATOM 616 C9w TOP A 1 10.438 5.672 10.050 0.00 1.00 -ATOM 617 C9x TOP A 1 10.438 5.672 13.400 0.00 1.00 -ATOM 618 C9y TOP A 1 10.438 5.672 16.750 0.00 1.00 -ATOM 619 C9z TOP A 1 9.210 7.799 10.050 0.00 1.00 -ATOM 620 CA0 TOP A 1 9.210 7.799 13.400 0.00 1.00 -ATOM 621 CA1 TOP A 1 9.210 7.799 16.750 0.00 1.00 -ATOM 622 CA2 TOP A 1 7.982 9.926 10.050 0.00 1.00 -ATOM 623 CA3 TOP A 1 7.982 9.926 13.400 0.00 1.00 -ATOM 624 CA4 TOP A 1 7.982 9.926 16.750 0.00 1.00 -ATOM 625 CA5 TOP A 1 6.754 12.053 10.050 0.00 1.00 -ATOM 626 CA6 TOP A 1 6.754 12.053 13.400 0.00 1.00 -ATOM 627 CA7 TOP A 1 6.754 12.053 16.750 0.00 1.00 -ATOM 628 CA8 TOP A 1 5.526 14.180 10.050 0.00 1.00 -ATOM 629 CA9 TOP A 1 5.526 14.180 13.400 0.00 1.00 -ATOM 630 CAA TOP A 1 5.526 14.180 16.750 0.00 1.00 -ATOM 631 CAB TOP A 1 23.946 16.306 10.050 0.00 1.00 -ATOM 632 CAC TOP A 1 23.946 16.306 13.400 0.00 1.00 -ATOM 633 CAD TOP A 1 23.946 16.306 16.750 0.00 1.00 -ATOM 634 CAE TOP A 1 22.718 18.433 10.050 0.00 1.00 -ATOM 635 CAF TOP A 1 22.718 18.433 13.400 0.00 1.00 -ATOM 636 CAG TOP A 1 22.718 18.433 16.750 0.00 1.00 -ATOM 637 CAH TOP A 1 21.490 20.560 10.050 0.00 1.00 -ATOM 638 CAI TOP A 1 21.490 20.560 13.400 0.00 1.00 -ATOM 639 CAJ TOP A 1 21.490 20.560 16.750 0.00 1.00 -ATOM 640 CAK TOP A 1 20.262 22.687 10.050 0.00 1.00 -ATOM 641 CAL TOP A 1 20.262 22.687 13.400 0.00 1.00 -ATOM 642 CAM TOP A 1 20.262 22.687 16.750 0.00 1.00 -ATOM 643 CAN TOP A 1 19.034 24.814 10.050 0.00 1.00 -ATOM 644 CAO TOP A 1 19.034 24.814 13.400 0.00 1.00 -ATOM 645 CAP TOP A 1 19.034 24.814 16.750 0.00 1.00 -ATOM 646 CAQ TOP A 1 17.806 26.941 10.050 0.00 1.00 -ATOM 647 CAR TOP A 1 17.806 26.941 13.400 0.00 1.00 -ATOM 648 CAS TOP A 1 17.806 26.941 16.750 0.00 1.00 -ATOM 649 CAT TOP A 1 16.578 29.068 10.050 0.00 1.00 -ATOM 650 CAU TOP A 1 16.578 29.068 13.400 0.00 1.00 -ATOM 651 CAV TOP A 1 16.578 29.068 16.750 0.00 1.00 -ATOM 652 CAW TOP A 1 15.350 1.418 10.050 0.00 1.00 -ATOM 653 CAX TOP A 1 15.350 1.418 13.400 0.00 1.00 -ATOM 654 CAY TOP A 1 15.350 1.418 16.750 0.00 1.00 -ATOM 655 CAZ TOP A 1 14.122 3.545 10.050 0.00 1.00 -ATOM 656 CAa TOP A 1 14.122 3.545 13.400 0.00 1.00 -ATOM 657 CAb TOP A 1 14.122 3.545 16.750 0.00 1.00 -ATOM 658 CAc TOP A 1 12.894 5.672 10.050 0.00 1.00 -ATOM 659 CAd TOP A 1 12.894 5.672 13.400 0.00 1.00 -ATOM 660 CAe TOP A 1 12.894 5.672 16.750 0.00 1.00 -ATOM 661 CAf TOP A 1 11.666 7.799 10.050 0.00 1.00 -ATOM 662 CAg TOP A 1 11.666 7.799 13.400 0.00 1.00 -ATOM 663 CAh TOP A 1 11.666 7.799 16.750 0.00 1.00 -ATOM 664 CAi TOP A 1 10.438 9.926 10.050 0.00 1.00 -ATOM 665 CAj TOP A 1 10.438 9.926 13.400 0.00 1.00 -ATOM 666 CAk TOP A 1 10.438 9.926 16.750 0.00 1.00 -ATOM 667 CAl TOP A 1 9.210 12.053 10.050 0.00 1.00 -ATOM 668 CAm TOP A 1 9.210 12.053 13.400 0.00 1.00 -ATOM 669 CAn TOP A 1 9.210 12.053 16.750 0.00 1.00 -ATOM 670 CAo TOP A 1 7.982 14.180 10.050 0.00 1.00 -ATOM 671 CAp TOP A 1 7.982 14.180 13.400 0.00 1.00 -ATOM 672 CAq TOP A 1 7.982 14.180 16.750 0.00 1.00 -ATOM 673 CAr TOP A 1 26.402 16.306 10.050 0.00 1.00 -ATOM 674 CAs TOP A 1 26.402 16.306 13.400 0.00 1.00 -ATOM 675 CAt TOP A 1 26.402 16.306 16.750 0.00 1.00 -ATOM 676 CAu TOP A 1 25.174 18.433 10.050 0.00 1.00 -ATOM 677 CAv TOP A 1 25.174 18.433 13.400 0.00 1.00 -ATOM 678 CAw TOP A 1 25.174 18.433 16.750 0.00 1.00 -ATOM 679 CAx TOP A 1 23.946 20.560 10.050 0.00 1.00 -ATOM 680 CAy TOP A 1 23.946 20.560 13.400 0.00 1.00 -ATOM 681 CAz TOP A 1 23.946 20.560 16.750 0.00 1.00 -ATOM 682 CB0 TOP A 1 22.718 22.687 10.050 0.00 1.00 -ATOM 683 CB1 TOP A 1 22.718 22.687 13.400 0.00 1.00 -ATOM 684 CB2 TOP A 1 22.718 22.687 16.750 0.00 1.00 -ATOM 685 CB3 TOP A 1 21.490 24.814 10.050 0.00 1.00 -ATOM 686 CB4 TOP A 1 21.490 24.814 13.400 0.00 1.00 -ATOM 687 CB5 TOP A 1 21.490 24.814 16.750 0.00 1.00 -ATOM 688 CB6 TOP A 1 20.262 26.941 10.050 0.00 1.00 -ATOM 689 CB7 TOP A 1 20.262 26.941 13.400 0.00 1.00 -ATOM 690 CB8 TOP A 1 20.262 26.941 16.750 0.00 1.00 -ATOM 691 CB9 TOP A 1 19.034 29.068 10.050 0.00 1.00 -ATOM 692 CBA TOP A 1 19.034 29.068 13.400 0.00 1.00 -ATOM 693 CBB TOP A 1 19.034 29.068 16.750 0.00 1.00 -ATOM 694 CBC TOP A 1 17.806 1.418 10.050 0.00 1.00 -ATOM 695 CBD TOP A 1 17.806 1.418 13.400 0.00 1.00 -ATOM 696 CBE TOP A 1 17.806 1.418 16.750 0.00 1.00 -ATOM 697 CBF TOP A 1 16.578 3.545 10.050 0.00 1.00 -ATOM 698 CBG TOP A 1 16.578 3.545 13.400 0.00 1.00 -ATOM 699 CBH TOP A 1 16.578 3.545 16.750 0.00 1.00 -ATOM 700 CBI TOP A 1 15.350 5.672 10.050 0.00 1.00 -ATOM 701 CBJ TOP A 1 15.350 5.672 13.400 0.00 1.00 -ATOM 702 CBK TOP A 1 15.350 5.672 16.750 0.00 1.00 -ATOM 703 CBL TOP A 1 14.122 7.799 10.050 0.00 1.00 -ATOM 704 CBM TOP A 1 14.122 7.799 13.400 0.00 1.00 -ATOM 705 CBN TOP A 1 14.122 7.799 16.750 0.00 1.00 -ATOM 706 CBO TOP A 1 12.894 9.926 10.050 0.00 1.00 -ATOM 707 CBP TOP A 1 12.894 9.926 13.400 0.00 1.00 -ATOM 708 CBQ TOP A 1 12.894 9.926 16.750 0.00 1.00 -ATOM 709 CBR TOP A 1 11.666 12.053 10.050 0.00 1.00 -ATOM 710 CBS TOP A 1 11.666 12.053 13.400 0.00 1.00 -ATOM 711 CBT TOP A 1 11.666 12.053 16.750 0.00 1.00 -ATOM 712 CBU TOP A 1 10.438 14.180 10.050 0.00 1.00 -ATOM 713 CBV TOP A 1 10.438 14.180 13.400 0.00 1.00 -ATOM 714 CBW TOP A 1 10.438 14.180 16.750 0.00 1.00 -ATOM 715 CBX TOP A 1 28.858 16.306 10.050 0.00 1.00 -ATOM 716 CBY TOP A 1 28.858 16.306 13.400 0.00 1.00 -ATOM 717 CBZ TOP A 1 28.858 16.306 16.750 0.00 1.00 -ATOM 718 CBa TOP A 1 27.630 18.433 10.050 0.00 1.00 -ATOM 719 CBb TOP A 1 27.630 18.433 13.400 0.00 1.00 -ATOM 720 CBc TOP A 1 27.630 18.433 16.750 0.00 1.00 -ATOM 721 CBd TOP A 1 26.402 20.560 10.050 0.00 1.00 -ATOM 722 CBe TOP A 1 26.402 20.560 13.400 0.00 1.00 -ATOM 723 CBf TOP A 1 26.402 20.560 16.750 0.00 1.00 -ATOM 724 CBg TOP A 1 25.174 22.687 10.050 0.00 1.00 -ATOM 725 CBh TOP A 1 25.174 22.687 13.400 0.00 1.00 -ATOM 726 CBi TOP A 1 25.174 22.687 16.750 0.00 1.00 -ATOM 727 CBj TOP A 1 23.946 24.814 10.050 0.00 1.00 -ATOM 728 CBk TOP A 1 23.946 24.814 13.400 0.00 1.00 -ATOM 729 CBl TOP A 1 23.946 24.814 16.750 0.00 1.00 -ATOM 730 CBm TOP A 1 22.718 26.941 10.050 0.00 1.00 -ATOM 731 CBn TOP A 1 22.718 26.941 13.400 0.00 1.00 -ATOM 732 CBo TOP A 1 22.718 26.941 16.750 0.00 1.00 -ATOM 733 CBp TOP A 1 21.490 29.068 10.050 0.00 1.00 -ATOM 734 CBq TOP A 1 21.490 29.068 13.400 0.00 1.00 -ATOM 735 CBr TOP A 1 21.490 29.068 16.750 0.00 1.00 -ATOM 736 CBs TOP A 1 20.262 1.418 10.050 0.00 1.00 -ATOM 737 CBt TOP A 1 20.262 1.418 13.400 0.00 1.00 -ATOM 738 CBu TOP A 1 20.262 1.418 16.750 0.00 1.00 -ATOM 739 CBv TOP A 1 19.034 3.545 10.050 0.00 1.00 -ATOM 740 CBw TOP A 1 19.034 3.545 13.400 0.00 1.00 -ATOM 741 CBx TOP A 1 19.034 3.545 16.750 0.00 1.00 -ATOM 742 CBy TOP A 1 17.806 5.672 10.050 0.00 1.00 -ATOM 743 CBz TOP A 1 17.806 5.672 13.400 0.00 1.00 -ATOM 744 CC0 TOP A 1 17.806 5.672 16.750 0.00 1.00 -ATOM 745 CC1 TOP A 1 16.578 7.799 10.050 0.00 1.00 -ATOM 746 CC2 TOP A 1 16.578 7.799 13.400 0.00 1.00 -ATOM 747 CC3 TOP A 1 16.578 7.799 16.750 0.00 1.00 -ATOM 748 CC4 TOP A 1 15.350 9.926 10.050 0.00 1.00 -ATOM 749 CC5 TOP A 1 15.350 9.926 13.400 0.00 1.00 -ATOM 750 CC6 TOP A 1 15.350 9.926 16.750 0.00 1.00 -ATOM 751 CC7 TOP A 1 14.122 12.053 10.050 0.00 1.00 -ATOM 752 CC8 TOP A 1 14.122 12.053 13.400 0.00 1.00 -ATOM 753 CC9 TOP A 1 14.122 12.053 16.750 0.00 1.00 -ATOM 754 CCA TOP A 1 12.894 14.180 10.050 0.00 1.00 -ATOM 755 CCB TOP A 1 12.894 14.180 13.400 0.00 1.00 -ATOM 756 CCC TOP A 1 12.894 14.180 16.750 0.00 1.00 -ATOM 757 CCD TOP A 1 1.842 16.306 10.050 0.00 1.00 -ATOM 758 CCE TOP A 1 1.842 16.306 13.400 0.00 1.00 -ATOM 759 CCF TOP A 1 1.842 16.306 16.750 0.00 1.00 -ATOM 760 CCG TOP A 1 0.614 18.433 10.050 0.00 1.00 -ATOM 761 CCH TOP A 1 0.614 18.433 13.400 0.00 1.00 -ATOM 762 CCI TOP A 1 0.614 18.433 16.750 0.00 1.00 -ATOM 763 CCJ TOP A 1 28.858 20.560 10.050 0.00 1.00 -ATOM 764 CCK TOP A 1 28.858 20.560 13.400 0.00 1.00 -ATOM 765 CCL TOP A 1 28.858 20.560 16.750 0.00 1.00 -ATOM 766 CCM TOP A 1 27.630 22.687 10.050 0.00 1.00 -ATOM 767 CCN TOP A 1 27.630 22.687 13.400 0.00 1.00 -ATOM 768 CCO TOP A 1 27.630 22.687 16.750 0.00 1.00 -ATOM 769 CCP TOP A 1 26.402 24.814 10.050 0.00 1.00 -ATOM 770 CCQ TOP A 1 26.402 24.814 13.400 0.00 1.00 -ATOM 771 CCR TOP A 1 26.402 24.814 16.750 0.00 1.00 -ATOM 772 CCS TOP A 1 25.174 26.941 10.050 0.00 1.00 -ATOM 773 CCT TOP A 1 25.174 26.941 13.400 0.00 1.00 -ATOM 774 CCU TOP A 1 25.174 26.941 16.750 0.00 1.00 -ATOM 775 CCV TOP A 1 23.946 29.068 10.050 0.00 1.00 -ATOM 776 CCW TOP A 1 23.946 29.068 13.400 0.00 1.00 -ATOM 777 CCX TOP A 1 23.946 29.068 16.750 0.00 1.00 -ATOM 778 CCY TOP A 1 22.718 1.418 10.050 0.00 1.00 -ATOM 779 CCZ TOP A 1 22.718 1.418 13.400 0.00 1.00 -ATOM 780 CCa TOP A 1 22.718 1.418 16.750 0.00 1.00 -ATOM 781 CCb TOP A 1 21.490 3.545 10.050 0.00 1.00 -ATOM 782 CCc TOP A 1 21.490 3.545 13.400 0.00 1.00 -ATOM 783 CCd TOP A 1 21.490 3.545 16.750 0.00 1.00 -ATOM 784 CCe TOP A 1 20.262 5.672 10.050 0.00 1.00 -ATOM 785 CCf TOP A 1 20.262 5.672 13.400 0.00 1.00 -ATOM 786 CCg TOP A 1 20.262 5.672 16.750 0.00 1.00 -ATOM 787 CCh TOP A 1 19.034 7.799 10.050 0.00 1.00 -ATOM 788 CCi TOP A 1 19.034 7.799 13.400 0.00 1.00 -ATOM 789 CCj TOP A 1 19.034 7.799 16.750 0.00 1.00 -ATOM 790 CCk TOP A 1 17.806 9.926 10.050 0.00 1.00 -ATOM 791 CCl TOP A 1 17.806 9.926 13.400 0.00 1.00 -ATOM 792 CCm TOP A 1 17.806 9.926 16.750 0.00 1.00 -ATOM 793 CCn TOP A 1 16.578 12.053 10.050 0.00 1.00 -ATOM 794 CCo TOP A 1 16.578 12.053 13.400 0.00 1.00 -ATOM 795 CCp TOP A 1 16.578 12.053 16.750 0.00 1.00 -ATOM 796 CCq TOP A 1 15.350 14.180 10.050 0.00 1.00 -ATOM 797 CCr TOP A 1 15.350 14.180 13.400 0.00 1.00 -ATOM 798 CCs TOP A 1 15.350 14.180 16.750 0.00 1.00 -ATOM 799 CCt TOP A 1 4.298 16.306 10.050 0.00 1.00 -ATOM 800 CCu TOP A 1 4.298 16.306 13.400 0.00 1.00 -ATOM 801 CCv TOP A 1 4.298 16.306 16.750 0.00 1.00 -ATOM 802 CCw TOP A 1 3.070 18.433 10.050 0.00 1.00 -ATOM 803 CCx TOP A 1 3.070 18.433 13.400 0.00 1.00 -ATOM 804 CCy TOP A 1 3.070 18.433 16.750 0.00 1.00 -ATOM 805 CCz TOP A 1 1.842 20.560 10.050 0.00 1.00 -ATOM 806 CD0 TOP A 1 1.842 20.560 13.400 0.00 1.00 -ATOM 807 CD1 TOP A 1 1.842 20.560 16.750 0.00 1.00 -ATOM 808 CD2 TOP A 1 0.614 22.687 10.050 0.00 1.00 -ATOM 809 CD3 TOP A 1 0.614 22.687 13.400 0.00 1.00 -ATOM 810 CD4 TOP A 1 0.614 22.687 16.750 0.00 1.00 -ATOM 811 CD5 TOP A 1 28.858 24.814 10.050 0.00 1.00 -ATOM 812 CD6 TOP A 1 28.858 24.814 13.400 0.00 1.00 -ATOM 813 CD7 TOP A 1 28.858 24.814 16.750 0.00 1.00 -ATOM 814 CD8 TOP A 1 27.630 26.941 10.050 0.00 1.00 -ATOM 815 CD9 TOP A 1 27.630 26.941 13.400 0.00 1.00 -ATOM 816 CDA TOP A 1 27.630 26.941 16.750 0.00 1.00 -ATOM 817 CDB TOP A 1 26.402 29.068 10.050 0.00 1.00 -ATOM 818 CDC TOP A 1 26.402 29.068 13.400 0.00 1.00 -ATOM 819 CDD TOP A 1 26.402 29.068 16.750 0.00 1.00 -ATOM 820 CDE TOP A 1 25.174 1.418 10.050 0.00 1.00 -ATOM 821 CDF TOP A 1 25.174 1.418 13.400 0.00 1.00 -ATOM 822 CDG TOP A 1 25.174 1.418 16.750 0.00 1.00 -ATOM 823 CDH TOP A 1 23.946 3.545 10.050 0.00 1.00 -ATOM 824 CDI TOP A 1 23.946 3.545 13.400 0.00 1.00 -ATOM 825 CDJ TOP A 1 23.946 3.545 16.750 0.00 1.00 -ATOM 826 CDK TOP A 1 22.718 5.672 10.050 0.00 1.00 -ATOM 827 CDL TOP A 1 22.718 5.672 13.400 0.00 1.00 -ATOM 828 CDM TOP A 1 22.718 5.672 16.750 0.00 1.00 -ATOM 829 CDN TOP A 1 21.490 7.799 10.050 0.00 1.00 -ATOM 830 CDO TOP A 1 21.490 7.799 13.400 0.00 1.00 -ATOM 831 CDP TOP A 1 21.490 7.799 16.750 0.00 1.00 -ATOM 832 CDQ TOP A 1 20.262 9.926 10.050 0.00 1.00 -ATOM 833 CDR TOP A 1 20.262 9.926 13.400 0.00 1.00 -ATOM 834 CDS TOP A 1 20.262 9.926 16.750 0.00 1.00 -ATOM 835 CDT TOP A 1 19.034 12.053 10.050 0.00 1.00 -ATOM 836 CDU TOP A 1 19.034 12.053 13.400 0.00 1.00 -ATOM 837 CDV TOP A 1 19.034 12.053 16.750 0.00 1.00 -ATOM 838 CDW TOP A 1 17.806 14.180 10.050 0.00 1.00 -ATOM 839 CDX TOP A 1 17.806 14.180 13.400 0.00 1.00 -ATOM 840 CDY TOP A 1 17.806 14.180 16.750 0.00 1.00 -ATOM 841 CDZ TOP A 1 6.754 16.306 10.050 0.00 1.00 -ATOM 842 CDa TOP A 1 6.754 16.306 13.400 0.00 1.00 -ATOM 843 CDb TOP A 1 6.754 16.306 16.750 0.00 1.00 -ATOM 844 CDc TOP A 1 5.526 18.433 10.050 0.00 1.00 -ATOM 845 CDd TOP A 1 5.526 18.433 13.400 0.00 1.00 -ATOM 846 CDe TOP A 1 5.526 18.433 16.750 0.00 1.00 -ATOM 847 CDf TOP A 1 4.298 20.560 10.050 0.00 1.00 -ATOM 848 CDg TOP A 1 4.298 20.560 13.400 0.00 1.00 -ATOM 849 CDh TOP A 1 4.298 20.560 16.750 0.00 1.00 -ATOM 850 CDi TOP A 1 3.070 22.687 10.050 0.00 1.00 -ATOM 851 CDj TOP A 1 3.070 22.687 13.400 0.00 1.00 -ATOM 852 CDk TOP A 1 3.070 22.687 16.750 0.00 1.00 -ATOM 853 CDl TOP A 1 1.842 24.814 10.050 0.00 1.00 -ATOM 854 CDm TOP A 1 1.842 24.814 13.400 0.00 1.00 -ATOM 855 CDn TOP A 1 1.842 24.814 16.750 0.00 1.00 -ATOM 856 CDo TOP A 1 0.614 26.941 10.050 0.00 1.00 -ATOM 857 CDp TOP A 1 0.614 26.941 13.400 0.00 1.00 -ATOM 858 CDq TOP A 1 0.614 26.941 16.750 0.00 1.00 -ATOM 859 CDr TOP A 1 28.858 29.068 10.050 0.00 1.00 -ATOM 860 CDs TOP A 1 28.858 29.068 13.400 0.00 1.00 -ATOM 861 CDt TOP A 1 28.858 29.068 16.750 0.00 1.00 -ATOM 862 CDu TOP A 1 27.630 1.418 10.050 0.00 1.00 -ATOM 863 CDv TOP A 1 27.630 1.418 13.400 0.00 1.00 -ATOM 864 CDw TOP A 1 27.630 1.418 16.750 0.00 1.00 -ATOM 865 CDx TOP A 1 26.402 3.545 10.050 0.00 1.00 -ATOM 866 CDy TOP A 1 26.402 3.545 13.400 0.00 1.00 -ATOM 867 CDz TOP A 1 26.402 3.545 16.750 0.00 1.00 -ATOM 868 CE0 TOP A 1 25.174 5.672 10.050 0.00 1.00 -ATOM 869 CE1 TOP A 1 25.174 5.672 13.400 0.00 1.00 -ATOM 870 CE2 TOP A 1 25.174 5.672 16.750 0.00 1.00 -ATOM 871 CE3 TOP A 1 23.946 7.799 10.050 0.00 1.00 -ATOM 872 CE4 TOP A 1 23.946 7.799 13.400 0.00 1.00 -ATOM 873 CE5 TOP A 1 23.946 7.799 16.750 0.00 1.00 -ATOM 874 CE6 TOP A 1 22.718 9.926 10.050 0.00 1.00 -ATOM 875 CE7 TOP A 1 22.718 9.926 13.400 0.00 1.00 -ATOM 876 CE8 TOP A 1 22.718 9.926 16.750 0.00 1.00 -ATOM 877 CE9 TOP A 1 21.490 12.053 10.050 0.00 1.00 -ATOM 878 CEA TOP A 1 21.490 12.053 13.400 0.00 1.00 -ATOM 879 CEB TOP A 1 21.490 12.053 16.750 0.00 1.00 -ATOM 880 CEC TOP A 1 20.262 14.180 10.050 0.00 1.00 -ATOM 881 CED TOP A 1 20.262 14.180 13.400 0.00 1.00 -ATOM 882 CEE TOP A 1 20.262 14.180 16.750 0.00 1.00 -ATOM 883 CEF TOP A 1 9.210 16.306 10.050 0.00 1.00 -ATOM 884 CEG TOP A 1 9.210 16.306 13.400 0.00 1.00 -ATOM 885 CEH TOP A 1 9.210 16.306 16.750 0.00 1.00 -ATOM 886 CEI TOP A 1 7.982 18.433 10.050 0.00 1.00 -ATOM 887 CEJ TOP A 1 7.982 18.433 13.400 0.00 1.00 -ATOM 888 CEK TOP A 1 7.982 18.433 16.750 0.00 1.00 -ATOM 889 CEL TOP A 1 6.754 20.560 10.050 0.00 1.00 -ATOM 890 CEM TOP A 1 6.754 20.560 13.400 0.00 1.00 -ATOM 891 CEN TOP A 1 6.754 20.560 16.750 0.00 1.00 -ATOM 892 CEO TOP A 1 5.526 22.687 10.050 0.00 1.00 -ATOM 893 CEP TOP A 1 5.526 22.687 13.400 0.00 1.00 -ATOM 894 CEQ TOP A 1 5.526 22.687 16.750 0.00 1.00 -ATOM 895 CER TOP A 1 4.298 24.814 10.050 0.00 1.00 -ATOM 896 CES TOP A 1 4.298 24.814 13.400 0.00 1.00 -ATOM 897 CET TOP A 1 4.298 24.814 16.750 0.00 1.00 -ATOM 898 CEU TOP A 1 3.070 26.941 10.050 0.00 1.00 -ATOM 899 CEV TOP A 1 3.070 26.941 13.400 0.00 1.00 -ATOM 900 CEW TOP A 1 3.070 26.941 16.750 0.00 1.00 -ATOM 901 CEX TOP A 1 1.842 29.068 10.050 0.00 1.00 -ATOM 902 CEY TOP A 1 1.842 29.068 13.400 0.00 1.00 -ATOM 903 CEZ TOP A 1 1.842 29.068 16.750 0.00 1.00 -ATOM 904 CEa TOP A 1 0.614 1.418 10.050 0.00 1.00 -ATOM 905 CEb TOP A 1 0.614 1.418 13.400 0.00 1.00 -ATOM 906 CEc TOP A 1 0.614 1.418 16.750 0.00 1.00 -ATOM 907 CEd TOP A 1 28.858 3.545 10.050 0.00 1.00 -ATOM 908 CEe TOP A 1 28.858 3.545 13.400 0.00 1.00 -ATOM 909 CEf TOP A 1 28.858 3.545 16.750 0.00 1.00 -ATOM 910 CEg TOP A 1 27.630 5.672 10.050 0.00 1.00 -ATOM 911 CEh TOP A 1 27.630 5.672 13.400 0.00 1.00 -ATOM 912 CEi TOP A 1 27.630 5.672 16.750 0.00 1.00 -ATOM 913 CEj TOP A 1 26.402 7.799 10.050 0.00 1.00 -ATOM 914 CEk TOP A 1 26.402 7.799 13.400 0.00 1.00 -ATOM 915 CEl TOP A 1 26.402 7.799 16.750 0.00 1.00 -ATOM 916 CEm TOP A 1 25.174 9.926 10.050 0.00 1.00 -ATOM 917 CEn TOP A 1 25.174 9.926 13.400 0.00 1.00 -ATOM 918 CEo TOP A 1 25.174 9.926 16.750 0.00 1.00 -ATOM 919 CEp TOP A 1 23.946 12.053 10.050 0.00 1.00 -ATOM 920 CEq TOP A 1 23.946 12.053 13.400 0.00 1.00 -ATOM 921 CEr TOP A 1 23.946 12.053 16.750 0.00 1.00 -ATOM 922 CEs TOP A 1 22.718 14.180 10.050 0.00 1.00 -ATOM 923 CEt TOP A 1 22.718 14.180 13.400 0.00 1.00 -ATOM 924 CEu TOP A 1 22.718 14.180 16.750 0.00 1.00 -ATOM 925 CEv TOP A 1 11.666 16.306 10.050 0.00 1.00 -ATOM 926 CEw TOP A 1 11.666 16.306 13.400 0.00 1.00 -ATOM 927 CEx TOP A 1 11.666 16.306 16.750 0.00 1.00 -ATOM 928 CEy TOP A 1 10.438 18.433 10.050 0.00 1.00 -ATOM 929 CEz TOP A 1 10.438 18.433 13.400 0.00 1.00 -ATOM 930 CF0 TOP A 1 10.438 18.433 16.750 0.00 1.00 -ATOM 931 CF1 TOP A 1 9.210 20.560 10.050 0.00 1.00 -ATOM 932 CF2 TOP A 1 9.210 20.560 13.400 0.00 1.00 -ATOM 933 CF3 TOP A 1 9.210 20.560 16.750 0.00 1.00 -ATOM 934 CF4 TOP A 1 7.982 22.687 10.050 0.00 1.00 -ATOM 935 CF5 TOP A 1 7.982 22.687 13.400 0.00 1.00 -ATOM 936 CF6 TOP A 1 7.982 22.687 16.750 0.00 1.00 -ATOM 937 CF7 TOP A 1 6.754 24.814 10.050 0.00 1.00 -ATOM 938 CF8 TOP A 1 6.754 24.814 13.400 0.00 1.00 -ATOM 939 CF9 TOP A 1 6.754 24.814 16.750 0.00 1.00 -ATOM 940 CFA TOP A 1 5.526 26.941 10.050 0.00 1.00 -ATOM 941 CFB TOP A 1 5.526 26.941 13.400 0.00 1.00 -ATOM 942 CFC TOP A 1 5.526 26.941 16.750 0.00 1.00 -ATOM 943 CFD TOP A 1 4.298 29.068 10.050 0.00 1.00 -ATOM 944 CFE TOP A 1 4.298 29.068 13.400 0.00 1.00 -ATOM 945 CFF TOP A 1 4.298 29.068 16.750 0.00 1.00 -ATOM 946 CFG TOP A 1 3.070 1.418 10.050 0.00 1.00 -ATOM 947 CFH TOP A 1 3.070 1.418 13.400 0.00 1.00 -ATOM 948 CFI TOP A 1 3.070 1.418 16.750 0.00 1.00 -ATOM 949 CFJ TOP A 1 1.842 3.545 10.050 0.00 1.00 -ATOM 950 CFK TOP A 1 1.842 3.545 13.400 0.00 1.00 -ATOM 951 CFL TOP A 1 1.842 3.545 16.750 0.00 1.00 -ATOM 952 CFM TOP A 1 0.614 5.672 10.050 0.00 1.00 -ATOM 953 CFN TOP A 1 0.614 5.672 13.400 0.00 1.00 -ATOM 954 CFO TOP A 1 0.614 5.672 16.750 0.00 1.00 -ATOM 955 CFP TOP A 1 28.858 7.799 10.050 0.00 1.00 -ATOM 956 CFQ TOP A 1 28.858 7.799 13.400 0.00 1.00 -ATOM 957 CFR TOP A 1 28.858 7.799 16.750 0.00 1.00 -ATOM 958 CFS TOP A 1 27.630 9.926 10.050 0.00 1.00 -ATOM 959 CFT TOP A 1 27.630 9.926 13.400 0.00 1.00 -ATOM 960 CFU TOP A 1 27.630 9.926 16.750 0.00 1.00 -ATOM 961 CFV TOP A 1 26.402 12.053 10.050 0.00 1.00 -ATOM 962 CFW TOP A 1 26.402 12.053 13.400 0.00 1.00 -ATOM 963 CFX TOP A 1 26.402 12.053 16.750 0.00 1.00 -ATOM 964 CFY TOP A 1 25.174 14.180 10.050 0.00 1.00 -ATOM 965 CFZ TOP A 1 25.174 14.180 13.400 0.00 1.00 -ATOM 966 CFa TOP A 1 25.174 14.180 16.750 0.00 1.00 -ATOM 967 CFb TOP A 1 14.122 16.306 10.050 0.00 1.00 -ATOM 968 CFc TOP A 1 14.122 16.306 13.400 0.00 1.00 -ATOM 969 CFd TOP A 1 14.122 16.306 16.750 0.00 1.00 -ATOM 970 CFe TOP A 1 12.894 18.433 10.050 0.00 1.00 -ATOM 971 CFf TOP A 1 12.894 18.433 13.400 0.00 1.00 -ATOM 972 CFg TOP A 1 12.894 18.433 16.750 0.00 1.00 -ATOM 973 CFh TOP A 1 11.666 20.560 10.050 0.00 1.00 -ATOM 974 CFi TOP A 1 11.666 20.560 13.400 0.00 1.00 -ATOM 975 CFj TOP A 1 11.666 20.560 16.750 0.00 1.00 -ATOM 976 CFk TOP A 1 10.438 22.687 10.050 0.00 1.00 -ATOM 977 CFl TOP A 1 10.438 22.687 13.400 0.00 1.00 -ATOM 978 CFm TOP A 1 10.438 22.687 16.750 0.00 1.00 -ATOM 979 CFn TOP A 1 9.210 24.814 10.050 0.00 1.00 -ATOM 980 CFo TOP A 1 9.210 24.814 13.400 0.00 1.00 -ATOM 981 CFp TOP A 1 9.210 24.814 16.750 0.00 1.00 -ATOM 982 CFq TOP A 1 7.982 26.941 10.050 0.00 1.00 -ATOM 983 CFr TOP A 1 7.982 26.941 13.400 0.00 1.00 -ATOM 984 CFs TOP A 1 7.982 26.941 16.750 0.00 1.00 -ATOM 985 CFt TOP A 1 6.754 29.068 10.050 0.00 1.00 -ATOM 986 CFu TOP A 1 6.754 29.068 13.400 0.00 1.00 -ATOM 987 CFv TOP A 1 6.754 29.068 16.750 0.00 1.00 -ATOM 988 CFw TOP A 1 5.526 1.418 10.050 0.00 1.00 -ATOM 989 CFx TOP A 1 5.526 1.418 13.400 0.00 1.00 -ATOM 990 CFy TOP A 1 5.526 1.418 16.750 0.00 1.00 -ATOM 991 CFz TOP A 1 4.298 3.545 10.050 0.00 1.00 -ATOM 992 CG0 TOP A 1 4.298 3.545 13.400 0.00 1.00 -ATOM 993 CG1 TOP A 1 4.298 3.545 16.750 0.00 1.00 -ATOM 994 CG2 TOP A 1 3.070 5.672 10.050 0.00 1.00 -ATOM 995 CG3 TOP A 1 3.070 5.672 13.400 0.00 1.00 -ATOM 996 CG4 TOP A 1 3.070 5.672 16.750 0.00 1.00 -ATOM 997 CG5 TOP A 1 1.842 7.799 10.050 0.00 1.00 -ATOM 998 CG6 TOP A 1 1.842 7.799 13.400 0.00 1.00 -ATOM 999 CG7 TOP A 1 1.842 7.799 16.750 0.00 1.00 -ATOM 1000 CG8 TOP A 1 0.614 9.926 10.050 0.00 1.00 -ATOM 1001 CG9 TOP A 1 0.614 9.926 13.400 0.00 1.00 -ATOM 1002 CGA TOP A 1 0.614 9.926 16.750 0.00 1.00 -ATOM 1003 CGB TOP A 1 28.858 12.053 10.050 0.00 1.00 -ATOM 1004 CGC TOP A 1 28.858 12.053 13.400 0.00 1.00 -ATOM 1005 CGD TOP A 1 28.858 12.053 16.750 0.00 1.00 -ATOM 1006 CGE TOP A 1 27.630 14.180 10.050 0.00 1.00 -ATOM 1007 CGF TOP A 1 27.630 14.180 13.400 0.00 1.00 -ATOM 1008 CGG TOP A 1 27.630 14.180 16.750 0.00 1.00 -ATOM 1009 C1 BOT B 1 15.350 15.597 0.000 0.00 1.00 -ATOM 1010 C2 BOT B 1 15.350 15.597 3.350 0.00 1.00 -ATOM 1011 C3 BOT B 1 15.350 15.597 6.700 0.00 1.00 -ATOM 1012 C4 BOT B 1 14.122 17.724 0.000 0.00 1.00 -ATOM 1013 C5 BOT B 1 14.122 17.724 3.350 0.00 1.00 -ATOM 1014 C6 BOT B 1 14.122 17.724 6.700 0.00 1.00 -ATOM 1015 C7 BOT B 1 12.894 19.851 0.000 0.00 1.00 -ATOM 1016 C8 BOT B 1 12.894 19.851 3.350 0.00 1.00 -ATOM 1017 C9 BOT B 1 12.894 19.851 6.700 0.00 1.00 -ATOM 1018 CA BOT B 1 11.666 21.978 0.000 0.00 1.00 -ATOM 1019 CB BOT B 1 11.666 21.978 3.350 0.00 1.00 -ATOM 1020 CC BOT B 1 11.666 21.978 6.700 0.00 1.00 -ATOM 1021 CD BOT B 1 10.438 24.105 0.000 0.00 1.00 -ATOM 1022 CE BOT B 1 10.438 24.105 3.350 0.00 1.00 -ATOM 1023 CF BOT B 1 10.438 24.105 6.700 0.00 1.00 -ATOM 1024 CG BOT B 1 9.210 26.232 0.000 0.00 1.00 -ATOM 1025 CH BOT B 1 9.210 26.232 3.350 0.00 1.00 -ATOM 1026 CI BOT B 1 9.210 26.232 6.700 0.00 1.00 -ATOM 1027 CJ BOT B 1 7.982 28.359 0.000 0.00 1.00 -ATOM 1028 CK BOT B 1 7.982 28.359 3.350 0.00 1.00 -ATOM 1029 CL BOT B 1 7.982 28.359 6.700 0.00 1.00 -ATOM 1030 CM BOT B 1 6.754 0.709 0.000 0.00 1.00 -ATOM 1031 CN BOT B 1 6.754 0.709 3.350 0.00 1.00 -ATOM 1032 CO BOT B 1 6.754 0.709 6.700 0.00 1.00 -ATOM 1033 CP BOT B 1 5.526 2.836 0.000 0.00 1.00 -ATOM 1034 CQ BOT B 1 5.526 2.836 3.350 0.00 1.00 -ATOM 1035 CR BOT B 1 5.526 2.836 6.700 0.00 1.00 -ATOM 1036 CS BOT B 1 4.298 4.963 0.000 0.00 1.00 -ATOM 1037 CT BOT B 1 4.298 4.963 3.350 0.00 1.00 -ATOM 1038 CU BOT B 1 4.298 4.963 6.700 0.00 1.00 -ATOM 1039 CV BOT B 1 3.070 7.090 0.000 0.00 1.00 -ATOM 1040 CW BOT B 1 3.070 7.090 3.350 0.00 1.00 -ATOM 1041 CX BOT B 1 3.070 7.090 6.700 0.00 1.00 -ATOM 1042 CY BOT B 1 1.842 9.217 0.000 0.00 1.00 -ATOM 1043 CZ BOT B 1 1.842 9.217 3.350 0.00 1.00 -ATOM 1044 Ca BOT B 1 1.842 9.217 6.700 0.00 1.00 -ATOM 1045 Cb BOT B 1 0.614 11.344 0.000 0.00 1.00 -ATOM 1046 Cc BOT B 1 0.614 11.344 3.350 0.00 1.00 -ATOM 1047 Cd BOT B 1 0.614 11.344 6.700 0.00 1.00 -ATOM 1048 Ce BOT B 1 28.858 13.471 0.000 0.00 1.00 -ATOM 1049 Cf BOT B 1 28.858 13.471 3.350 0.00 1.00 -ATOM 1050 Cg BOT B 1 28.858 13.471 6.700 0.00 1.00 -ATOM 1051 Ch BOT B 1 17.806 15.597 0.000 0.00 1.00 -ATOM 1052 Ci BOT B 1 17.806 15.597 3.350 0.00 1.00 -ATOM 1053 Cj BOT B 1 17.806 15.597 6.700 0.00 1.00 -ATOM 1054 Ck BOT B 1 16.578 17.724 0.000 0.00 1.00 -ATOM 1055 Cl BOT B 1 16.578 17.724 3.350 0.00 1.00 -ATOM 1056 Cm BOT B 1 16.578 17.724 6.700 0.00 1.00 -ATOM 1057 Cn BOT B 1 15.350 19.851 0.000 0.00 1.00 -ATOM 1058 Co BOT B 1 15.350 19.851 3.350 0.00 1.00 -ATOM 1059 Cp BOT B 1 15.350 19.851 6.700 0.00 1.00 -ATOM 1060 Cq BOT B 1 14.122 21.978 0.000 0.00 1.00 -ATOM 1061 Cr BOT B 1 14.122 21.978 3.350 0.00 1.00 -ATOM 1062 Cs BOT B 1 14.122 21.978 6.700 0.00 1.00 -ATOM 1063 Ct BOT B 1 12.894 24.105 0.000 0.00 1.00 -ATOM 1064 Cu BOT B 1 12.894 24.105 3.350 0.00 1.00 -ATOM 1065 Cv BOT B 1 12.894 24.105 6.700 0.00 1.00 -ATOM 1066 Cw BOT B 1 11.666 26.232 0.000 0.00 1.00 -ATOM 1067 Cx BOT B 1 11.666 26.232 3.350 0.00 1.00 -ATOM 1068 Cy BOT B 1 11.666 26.232 6.700 0.00 1.00 -ATOM 1069 Cz BOT B 1 10.438 28.359 0.000 0.00 1.00 -ATOM 1070 C10 BOT B 1 10.438 28.359 3.350 0.00 1.00 -ATOM 1071 C11 BOT B 1 10.438 28.359 6.700 0.00 1.00 -ATOM 1072 C12 BOT B 1 9.210 0.709 0.000 0.00 1.00 -ATOM 1073 C13 BOT B 1 9.210 0.709 3.350 0.00 1.00 -ATOM 1074 C14 BOT B 1 9.210 0.709 6.700 0.00 1.00 -ATOM 1075 C15 BOT B 1 7.982 2.836 0.000 0.00 1.00 -ATOM 1076 C16 BOT B 1 7.982 2.836 3.350 0.00 1.00 -ATOM 1077 C17 BOT B 1 7.982 2.836 6.700 0.00 1.00 -ATOM 1078 C18 BOT B 1 6.754 4.963 0.000 0.00 1.00 -ATOM 1079 C19 BOT B 1 6.754 4.963 3.350 0.00 1.00 -ATOM 1080 C1A BOT B 1 6.754 4.963 6.700 0.00 1.00 -ATOM 1081 C1B BOT B 1 5.526 7.090 0.000 0.00 1.00 -ATOM 1082 C1C BOT B 1 5.526 7.090 3.350 0.00 1.00 -ATOM 1083 C1D BOT B 1 5.526 7.090 6.700 0.00 1.00 -ATOM 1084 C1E BOT B 1 4.298 9.217 0.000 0.00 1.00 -ATOM 1085 C1F BOT B 1 4.298 9.217 3.350 0.00 1.00 -ATOM 1086 C1G BOT B 1 4.298 9.217 6.700 0.00 1.00 -ATOM 1087 C1H BOT B 1 3.070 11.344 0.000 0.00 1.00 -ATOM 1088 C1I BOT B 1 3.070 11.344 3.350 0.00 1.00 -ATOM 1089 C1J BOT B 1 3.070 11.344 6.700 0.00 1.00 -ATOM 1090 C1K BOT B 1 1.842 13.471 0.000 0.00 1.00 -ATOM 1091 C1L BOT B 1 1.842 13.471 3.350 0.00 1.00 -ATOM 1092 C1M BOT B 1 1.842 13.471 6.700 0.00 1.00 -ATOM 1093 C1N BOT B 1 20.262 15.597 0.000 0.00 1.00 -ATOM 1094 C1O BOT B 1 20.262 15.597 3.350 0.00 1.00 -ATOM 1095 C1P BOT B 1 20.262 15.597 6.700 0.00 1.00 -ATOM 1096 C1Q BOT B 1 19.034 17.724 0.000 0.00 1.00 -ATOM 1097 C1R BOT B 1 19.034 17.724 3.350 0.00 1.00 -ATOM 1098 C1S BOT B 1 19.034 17.724 6.700 0.00 1.00 -ATOM 1099 C1T BOT B 1 17.806 19.851 0.000 0.00 1.00 -ATOM 1100 C1U BOT B 1 17.806 19.851 3.350 0.00 1.00 -ATOM 1101 C1V BOT B 1 17.806 19.851 6.700 0.00 1.00 -ATOM 1102 C1W BOT B 1 16.578 21.978 0.000 0.00 1.00 -ATOM 1103 C1X BOT B 1 16.578 21.978 3.350 0.00 1.00 -ATOM 1104 C1Y BOT B 1 16.578 21.978 6.700 0.00 1.00 -ATOM 1105 C1Z BOT B 1 15.350 24.105 0.000 0.00 1.00 -ATOM 1106 C1a BOT B 1 15.350 24.105 3.350 0.00 1.00 -ATOM 1107 C1b BOT B 1 15.350 24.105 6.700 0.00 1.00 -ATOM 1108 C1c BOT B 1 14.122 26.232 0.000 0.00 1.00 -ATOM 1109 C1d BOT B 1 14.122 26.232 3.350 0.00 1.00 -ATOM 1110 C1e BOT B 1 14.122 26.232 6.700 0.00 1.00 -ATOM 1111 C1f BOT B 1 12.894 28.359 0.000 0.00 1.00 -ATOM 1112 C1g BOT B 1 12.894 28.359 3.350 0.00 1.00 -ATOM 1113 C1h BOT B 1 12.894 28.359 6.700 0.00 1.00 -ATOM 1114 C1i BOT B 1 11.666 0.709 0.000 0.00 1.00 -ATOM 1115 C1j BOT B 1 11.666 0.709 3.350 0.00 1.00 -ATOM 1116 C1k BOT B 1 11.666 0.709 6.700 0.00 1.00 -ATOM 1117 C1l BOT B 1 10.438 2.836 0.000 0.00 1.00 -ATOM 1118 C1m BOT B 1 10.438 2.836 3.350 0.00 1.00 -ATOM 1119 C1n BOT B 1 10.438 2.836 6.700 0.00 1.00 -ATOM 1120 C1o BOT B 1 9.210 4.963 0.000 0.00 1.00 -ATOM 1121 C1p BOT B 1 9.210 4.963 3.350 0.00 1.00 -ATOM 1122 C1q BOT B 1 9.210 4.963 6.700 0.00 1.00 -ATOM 1123 C1r BOT B 1 7.982 7.090 0.000 0.00 1.00 -ATOM 1124 C1s BOT B 1 7.982 7.090 3.350 0.00 1.00 -ATOM 1125 C1t BOT B 1 7.982 7.090 6.700 0.00 1.00 -ATOM 1126 C1u BOT B 1 6.754 9.217 0.000 0.00 1.00 -ATOM 1127 C1v BOT B 1 6.754 9.217 3.350 0.00 1.00 -ATOM 1128 C1w BOT B 1 6.754 9.217 6.700 0.00 1.00 -ATOM 1129 C1x BOT B 1 5.526 11.344 0.000 0.00 1.00 -ATOM 1130 C1y BOT B 1 5.526 11.344 3.350 0.00 1.00 -ATOM 1131 C1z BOT B 1 5.526 11.344 6.700 0.00 1.00 -ATOM 1132 C20 BOT B 1 4.298 13.471 0.000 0.00 1.00 -ATOM 1133 C21 BOT B 1 4.298 13.471 3.350 0.00 1.00 -ATOM 1134 C22 BOT B 1 4.298 13.471 6.700 0.00 1.00 -ATOM 1135 C23 BOT B 1 22.718 15.597 0.000 0.00 1.00 -ATOM 1136 C24 BOT B 1 22.718 15.597 3.350 0.00 1.00 -ATOM 1137 C25 BOT B 1 22.718 15.597 6.700 0.00 1.00 -ATOM 1138 C26 BOT B 1 21.490 17.724 0.000 0.00 1.00 -ATOM 1139 C27 BOT B 1 21.490 17.724 3.350 0.00 1.00 -ATOM 1140 C28 BOT B 1 21.490 17.724 6.700 0.00 1.00 -ATOM 1141 C29 BOT B 1 20.262 19.851 0.000 0.00 1.00 -ATOM 1142 C2A BOT B 1 20.262 19.851 3.350 0.00 1.00 -ATOM 1143 C2B BOT B 1 20.262 19.851 6.700 0.00 1.00 -ATOM 1144 C2C BOT B 1 19.034 21.978 0.000 0.00 1.00 -ATOM 1145 C2D BOT B 1 19.034 21.978 3.350 0.00 1.00 -ATOM 1146 C2E BOT B 1 19.034 21.978 6.700 0.00 1.00 -ATOM 1147 C2F BOT B 1 17.806 24.105 0.000 0.00 1.00 -ATOM 1148 C2G BOT B 1 17.806 24.105 3.350 0.00 1.00 -ATOM 1149 C2H BOT B 1 17.806 24.105 6.700 0.00 1.00 -ATOM 1150 C2I BOT B 1 16.578 26.232 0.000 0.00 1.00 -ATOM 1151 C2J BOT B 1 16.578 26.232 3.350 0.00 1.00 -ATOM 1152 C2K BOT B 1 16.578 26.232 6.700 0.00 1.00 -ATOM 1153 C2L BOT B 1 15.350 28.359 0.000 0.00 1.00 -ATOM 1154 C2M BOT B 1 15.350 28.359 3.350 0.00 1.00 -ATOM 1155 C2N BOT B 1 15.350 28.359 6.700 0.00 1.00 -ATOM 1156 C2O BOT B 1 14.122 0.709 0.000 0.00 1.00 -ATOM 1157 C2P BOT B 1 14.122 0.709 3.350 0.00 1.00 -ATOM 1158 C2Q BOT B 1 14.122 0.709 6.700 0.00 1.00 -ATOM 1159 C2R BOT B 1 12.894 2.836 0.000 0.00 1.00 -ATOM 1160 C2S BOT B 1 12.894 2.836 3.350 0.00 1.00 -ATOM 1161 C2T BOT B 1 12.894 2.836 6.700 0.00 1.00 -ATOM 1162 C2U BOT B 1 11.666 4.963 0.000 0.00 1.00 -ATOM 1163 C2V BOT B 1 11.666 4.963 3.350 0.00 1.00 -ATOM 1164 C2W BOT B 1 11.666 4.963 6.700 0.00 1.00 -ATOM 1165 C2X BOT B 1 10.438 7.090 0.000 0.00 1.00 -ATOM 1166 C2Y BOT B 1 10.438 7.090 3.350 0.00 1.00 -ATOM 1167 C2Z BOT B 1 10.438 7.090 6.700 0.00 1.00 -ATOM 1168 C2a BOT B 1 9.210 9.217 0.000 0.00 1.00 -ATOM 1169 C2b BOT B 1 9.210 9.217 3.350 0.00 1.00 -ATOM 1170 C2c BOT B 1 9.210 9.217 6.700 0.00 1.00 -ATOM 1171 C2d BOT B 1 7.982 11.344 0.000 0.00 1.00 -ATOM 1172 C2e BOT B 1 7.982 11.344 3.350 0.00 1.00 -ATOM 1173 C2f BOT B 1 7.982 11.344 6.700 0.00 1.00 -ATOM 1174 C2g BOT B 1 6.754 13.471 0.000 0.00 1.00 -ATOM 1175 C2h BOT B 1 6.754 13.471 3.350 0.00 1.00 -ATOM 1176 C2i BOT B 1 6.754 13.471 6.700 0.00 1.00 -ATOM 1177 C2j BOT B 1 25.174 15.597 0.000 0.00 1.00 -ATOM 1178 C2k BOT B 1 25.174 15.597 3.350 0.00 1.00 -ATOM 1179 C2l BOT B 1 25.174 15.597 6.700 0.00 1.00 -ATOM 1180 C2m BOT B 1 23.946 17.724 0.000 0.00 1.00 -ATOM 1181 C2n BOT B 1 23.946 17.724 3.350 0.00 1.00 -ATOM 1182 C2o BOT B 1 23.946 17.724 6.700 0.00 1.00 -ATOM 1183 C2p BOT B 1 22.718 19.851 0.000 0.00 1.00 -ATOM 1184 C2q BOT B 1 22.718 19.851 3.350 0.00 1.00 -ATOM 1185 C2r BOT B 1 22.718 19.851 6.700 0.00 1.00 -ATOM 1186 C2s BOT B 1 21.490 21.978 0.000 0.00 1.00 -ATOM 1187 C2t BOT B 1 21.490 21.978 3.350 0.00 1.00 -ATOM 1188 C2u BOT B 1 21.490 21.978 6.700 0.00 1.00 -ATOM 1189 C2v BOT B 1 20.262 24.105 0.000 0.00 1.00 -ATOM 1190 C2w BOT B 1 20.262 24.105 3.350 0.00 1.00 -ATOM 1191 C2x BOT B 1 20.262 24.105 6.700 0.00 1.00 -ATOM 1192 C2y BOT B 1 19.034 26.232 0.000 0.00 1.00 -ATOM 1193 C2z BOT B 1 19.034 26.232 3.350 0.00 1.00 -ATOM 1194 C30 BOT B 1 19.034 26.232 6.700 0.00 1.00 -ATOM 1195 C31 BOT B 1 17.806 28.359 0.000 0.00 1.00 -ATOM 1196 C32 BOT B 1 17.806 28.359 3.350 0.00 1.00 -ATOM 1197 C33 BOT B 1 17.806 28.359 6.700 0.00 1.00 -ATOM 1198 C34 BOT B 1 16.578 0.709 0.000 0.00 1.00 -ATOM 1199 C35 BOT B 1 16.578 0.709 3.350 0.00 1.00 -ATOM 1200 C36 BOT B 1 16.578 0.709 6.700 0.00 1.00 -ATOM 1201 C37 BOT B 1 15.350 2.836 0.000 0.00 1.00 -ATOM 1202 C38 BOT B 1 15.350 2.836 3.350 0.00 1.00 -ATOM 1203 C39 BOT B 1 15.350 2.836 6.700 0.00 1.00 -ATOM 1204 C3A BOT B 1 14.122 4.963 0.000 0.00 1.00 -ATOM 1205 C3B BOT B 1 14.122 4.963 3.350 0.00 1.00 -ATOM 1206 C3C BOT B 1 14.122 4.963 6.700 0.00 1.00 -ATOM 1207 C3D BOT B 1 12.894 7.090 0.000 0.00 1.00 -ATOM 1208 C3E BOT B 1 12.894 7.090 3.350 0.00 1.00 -ATOM 1209 C3F BOT B 1 12.894 7.090 6.700 0.00 1.00 -ATOM 1210 C3G BOT B 1 11.666 9.217 0.000 0.00 1.00 -ATOM 1211 C3H BOT B 1 11.666 9.217 3.350 0.00 1.00 -ATOM 1212 C3I BOT B 1 11.666 9.217 6.700 0.00 1.00 -ATOM 1213 C3J BOT B 1 10.438 11.344 0.000 0.00 1.00 -ATOM 1214 C3K BOT B 1 10.438 11.344 3.350 0.00 1.00 -ATOM 1215 C3L BOT B 1 10.438 11.344 6.700 0.00 1.00 -ATOM 1216 C3M BOT B 1 9.210 13.471 0.000 0.00 1.00 -ATOM 1217 C3N BOT B 1 9.210 13.471 3.350 0.00 1.00 -ATOM 1218 C3O BOT B 1 9.210 13.471 6.700 0.00 1.00 -ATOM 1219 C3P BOT B 1 27.630 15.597 0.000 0.00 1.00 -ATOM 1220 C3Q BOT B 1 27.630 15.597 3.350 0.00 1.00 -ATOM 1221 C3R BOT B 1 27.630 15.597 6.700 0.00 1.00 -ATOM 1222 C3S BOT B 1 26.402 17.724 0.000 0.00 1.00 -ATOM 1223 C3T BOT B 1 26.402 17.724 3.350 0.00 1.00 -ATOM 1224 C3U BOT B 1 26.402 17.724 6.700 0.00 1.00 -ATOM 1225 C3V BOT B 1 25.174 19.851 0.000 0.00 1.00 -ATOM 1226 C3W BOT B 1 25.174 19.851 3.350 0.00 1.00 -ATOM 1227 C3X BOT B 1 25.174 19.851 6.700 0.00 1.00 -ATOM 1228 C3Y BOT B 1 23.946 21.978 0.000 0.00 1.00 -ATOM 1229 C3Z BOT B 1 23.946 21.978 3.350 0.00 1.00 -ATOM 1230 C3a BOT B 1 23.946 21.978 6.700 0.00 1.00 -ATOM 1231 C3b BOT B 1 22.718 24.105 0.000 0.00 1.00 -ATOM 1232 C3c BOT B 1 22.718 24.105 3.350 0.00 1.00 -ATOM 1233 C3d BOT B 1 22.718 24.105 6.700 0.00 1.00 -ATOM 1234 C3e BOT B 1 21.490 26.232 0.000 0.00 1.00 -ATOM 1235 C3f BOT B 1 21.490 26.232 3.350 0.00 1.00 -ATOM 1236 C3g BOT B 1 21.490 26.232 6.700 0.00 1.00 -ATOM 1237 C3h BOT B 1 20.262 28.359 0.000 0.00 1.00 -ATOM 1238 C3i BOT B 1 20.262 28.359 3.350 0.00 1.00 -ATOM 1239 C3j BOT B 1 20.262 28.359 6.700 0.00 1.00 -ATOM 1240 C3k BOT B 1 19.034 0.709 0.000 0.00 1.00 -ATOM 1241 C3l BOT B 1 19.034 0.709 3.350 0.00 1.00 -ATOM 1242 C3m BOT B 1 19.034 0.709 6.700 0.00 1.00 -ATOM 1243 C3n BOT B 1 17.806 2.836 0.000 0.00 1.00 -ATOM 1244 C3o BOT B 1 17.806 2.836 3.350 0.00 1.00 -ATOM 1245 C3p BOT B 1 17.806 2.836 6.700 0.00 1.00 -ATOM 1246 C3q BOT B 1 16.578 4.963 0.000 0.00 1.00 -ATOM 1247 C3r BOT B 1 16.578 4.963 3.350 0.00 1.00 -ATOM 1248 C3s BOT B 1 16.578 4.963 6.700 0.00 1.00 -ATOM 1249 C3t BOT B 1 15.350 7.090 0.000 0.00 1.00 -ATOM 1250 C3u BOT B 1 15.350 7.090 3.350 0.00 1.00 -ATOM 1251 C3v BOT B 1 15.350 7.090 6.700 0.00 1.00 -ATOM 1252 C3w BOT B 1 14.122 9.217 0.000 0.00 1.00 -ATOM 1253 C3x BOT B 1 14.122 9.217 3.350 0.00 1.00 -ATOM 1254 C3y BOT B 1 14.122 9.217 6.700 0.00 1.00 -ATOM 1255 C3z BOT B 1 12.894 11.344 0.000 0.00 1.00 -ATOM 1256 C40 BOT B 1 12.894 11.344 3.350 0.00 1.00 -ATOM 1257 C41 BOT B 1 12.894 11.344 6.700 0.00 1.00 -ATOM 1258 C42 BOT B 1 11.666 13.471 0.000 0.00 1.00 -ATOM 1259 C43 BOT B 1 11.666 13.471 3.350 0.00 1.00 -ATOM 1260 C44 BOT B 1 11.666 13.471 6.700 0.00 1.00 -ATOM 1261 C45 BOT B 1 0.614 15.597 0.000 0.00 1.00 -ATOM 1262 C46 BOT B 1 0.614 15.597 3.350 0.00 1.00 -ATOM 1263 C47 BOT B 1 0.614 15.597 6.700 0.00 1.00 -ATOM 1264 C48 BOT B 1 28.858 17.724 0.000 0.00 1.00 -ATOM 1265 C49 BOT B 1 28.858 17.724 3.350 0.00 1.00 -ATOM 1266 C4A BOT B 1 28.858 17.724 6.700 0.00 1.00 -ATOM 1267 C4B BOT B 1 27.630 19.851 0.000 0.00 1.00 -ATOM 1268 C4C BOT B 1 27.630 19.851 3.350 0.00 1.00 -ATOM 1269 C4D BOT B 1 27.630 19.851 6.700 0.00 1.00 -ATOM 1270 C4E BOT B 1 26.402 21.978 0.000 0.00 1.00 -ATOM 1271 C4F BOT B 1 26.402 21.978 3.350 0.00 1.00 -ATOM 1272 C4G BOT B 1 26.402 21.978 6.700 0.00 1.00 -ATOM 1273 C4H BOT B 1 25.174 24.105 0.000 0.00 1.00 -ATOM 1274 C4I BOT B 1 25.174 24.105 3.350 0.00 1.00 -ATOM 1275 C4J BOT B 1 25.174 24.105 6.700 0.00 1.00 -ATOM 1276 C4K BOT B 1 23.946 26.232 0.000 0.00 1.00 -ATOM 1277 C4L BOT B 1 23.946 26.232 3.350 0.00 1.00 -ATOM 1278 C4M BOT B 1 23.946 26.232 6.700 0.00 1.00 -ATOM 1279 C4N BOT B 1 22.718 28.359 0.000 0.00 1.00 -ATOM 1280 C4O BOT B 1 22.718 28.359 3.350 0.00 1.00 -ATOM 1281 C4P BOT B 1 22.718 28.359 6.700 0.00 1.00 -ATOM 1282 C4Q BOT B 1 21.490 0.709 0.000 0.00 1.00 -ATOM 1283 C4R BOT B 1 21.490 0.709 3.350 0.00 1.00 -ATOM 1284 C4S BOT B 1 21.490 0.709 6.700 0.00 1.00 -ATOM 1285 C4T BOT B 1 20.262 2.836 0.000 0.00 1.00 -ATOM 1286 C4U BOT B 1 20.262 2.836 3.350 0.00 1.00 -ATOM 1287 C4V BOT B 1 20.262 2.836 6.700 0.00 1.00 -ATOM 1288 C4W BOT B 1 19.034 4.963 0.000 0.00 1.00 -ATOM 1289 C4X BOT B 1 19.034 4.963 3.350 0.00 1.00 -ATOM 1290 C4Y BOT B 1 19.034 4.963 6.700 0.00 1.00 -ATOM 1291 C4Z BOT B 1 17.806 7.090 0.000 0.00 1.00 -ATOM 1292 C4a BOT B 1 17.806 7.090 3.350 0.00 1.00 -ATOM 1293 C4b BOT B 1 17.806 7.090 6.700 0.00 1.00 -ATOM 1294 C4c BOT B 1 16.578 9.217 0.000 0.00 1.00 -ATOM 1295 C4d BOT B 1 16.578 9.217 3.350 0.00 1.00 -ATOM 1296 C4e BOT B 1 16.578 9.217 6.700 0.00 1.00 -ATOM 1297 C4f BOT B 1 15.350 11.344 0.000 0.00 1.00 -ATOM 1298 C4g BOT B 1 15.350 11.344 3.350 0.00 1.00 -ATOM 1299 C4h BOT B 1 15.350 11.344 6.700 0.00 1.00 -ATOM 1300 C4i BOT B 1 14.122 13.471 0.000 0.00 1.00 -ATOM 1301 C4j BOT B 1 14.122 13.471 3.350 0.00 1.00 -ATOM 1302 C4k BOT B 1 14.122 13.471 6.700 0.00 1.00 -ATOM 1303 C4l BOT B 1 3.070 15.597 0.000 0.00 1.00 -ATOM 1304 C4m BOT B 1 3.070 15.597 3.350 0.00 1.00 -ATOM 1305 C4n BOT B 1 3.070 15.597 6.700 0.00 1.00 -ATOM 1306 C4o BOT B 1 1.842 17.724 0.000 0.00 1.00 -ATOM 1307 C4p BOT B 1 1.842 17.724 3.350 0.00 1.00 -ATOM 1308 C4q BOT B 1 1.842 17.724 6.700 0.00 1.00 -ATOM 1309 C4r BOT B 1 0.614 19.851 0.000 0.00 1.00 -ATOM 1310 C4s BOT B 1 0.614 19.851 3.350 0.00 1.00 -ATOM 1311 C4t BOT B 1 0.614 19.851 6.700 0.00 1.00 -ATOM 1312 C4u BOT B 1 28.858 21.978 0.000 0.00 1.00 -ATOM 1313 C4v BOT B 1 28.858 21.978 3.350 0.00 1.00 -ATOM 1314 C4w BOT B 1 28.858 21.978 6.700 0.00 1.00 -ATOM 1315 C4x BOT B 1 27.630 24.105 0.000 0.00 1.00 -ATOM 1316 C4y BOT B 1 27.630 24.105 3.350 0.00 1.00 -ATOM 1317 C4z BOT B 1 27.630 24.105 6.700 0.00 1.00 -ATOM 1318 C50 BOT B 1 26.402 26.232 0.000 0.00 1.00 -ATOM 1319 C51 BOT B 1 26.402 26.232 3.350 0.00 1.00 -ATOM 1320 C52 BOT B 1 26.402 26.232 6.700 0.00 1.00 -ATOM 1321 C53 BOT B 1 25.174 28.359 0.000 0.00 1.00 -ATOM 1322 C54 BOT B 1 25.174 28.359 3.350 0.00 1.00 -ATOM 1323 C55 BOT B 1 25.174 28.359 6.700 0.00 1.00 -ATOM 1324 C56 BOT B 1 23.946 0.709 0.000 0.00 1.00 -ATOM 1325 C57 BOT B 1 23.946 0.709 3.350 0.00 1.00 -ATOM 1326 C58 BOT B 1 23.946 0.709 6.700 0.00 1.00 -ATOM 1327 C59 BOT B 1 22.718 2.836 0.000 0.00 1.00 -ATOM 1328 C5A BOT B 1 22.718 2.836 3.350 0.00 1.00 -ATOM 1329 C5B BOT B 1 22.718 2.836 6.700 0.00 1.00 -ATOM 1330 C5C BOT B 1 21.490 4.963 0.000 0.00 1.00 -ATOM 1331 C5D BOT B 1 21.490 4.963 3.350 0.00 1.00 -ATOM 1332 C5E BOT B 1 21.490 4.963 6.700 0.00 1.00 -ATOM 1333 C5F BOT B 1 20.262 7.090 0.000 0.00 1.00 -ATOM 1334 C5G BOT B 1 20.262 7.090 3.350 0.00 1.00 -ATOM 1335 C5H BOT B 1 20.262 7.090 6.700 0.00 1.00 -ATOM 1336 C5I BOT B 1 19.034 9.217 0.000 0.00 1.00 -ATOM 1337 C5J BOT B 1 19.034 9.217 3.350 0.00 1.00 -ATOM 1338 C5K BOT B 1 19.034 9.217 6.700 0.00 1.00 -ATOM 1339 C5L BOT B 1 17.806 11.344 0.000 0.00 1.00 -ATOM 1340 C5M BOT B 1 17.806 11.344 3.350 0.00 1.00 -ATOM 1341 C5N BOT B 1 17.806 11.344 6.700 0.00 1.00 -ATOM 1342 C5O BOT B 1 16.578 13.471 0.000 0.00 1.00 -ATOM 1343 C5P BOT B 1 16.578 13.471 3.350 0.00 1.00 -ATOM 1344 C5Q BOT B 1 16.578 13.471 6.700 0.00 1.00 -ATOM 1345 C5R BOT B 1 5.526 15.597 0.000 0.00 1.00 -ATOM 1346 C5S BOT B 1 5.526 15.597 3.350 0.00 1.00 -ATOM 1347 C5T BOT B 1 5.526 15.597 6.700 0.00 1.00 -ATOM 1348 C5U BOT B 1 4.298 17.724 0.000 0.00 1.00 -ATOM 1349 C5V BOT B 1 4.298 17.724 3.350 0.00 1.00 -ATOM 1350 C5W BOT B 1 4.298 17.724 6.700 0.00 1.00 -ATOM 1351 C5X BOT B 1 3.070 19.851 0.000 0.00 1.00 -ATOM 1352 C5Y BOT B 1 3.070 19.851 3.350 0.00 1.00 -ATOM 1353 C5Z BOT B 1 3.070 19.851 6.700 0.00 1.00 -ATOM 1354 C5a BOT B 1 1.842 21.978 0.000 0.00 1.00 -ATOM 1355 C5b BOT B 1 1.842 21.978 3.350 0.00 1.00 -ATOM 1356 C5c BOT B 1 1.842 21.978 6.700 0.00 1.00 -ATOM 1357 C5d BOT B 1 0.614 24.105 0.000 0.00 1.00 -ATOM 1358 C5e BOT B 1 0.614 24.105 3.350 0.00 1.00 -ATOM 1359 C5f BOT B 1 0.614 24.105 6.700 0.00 1.00 -ATOM 1360 C5g BOT B 1 28.858 26.232 0.000 0.00 1.00 -ATOM 1361 C5h BOT B 1 28.858 26.232 3.350 0.00 1.00 -ATOM 1362 C5i BOT B 1 28.858 26.232 6.700 0.00 1.00 -ATOM 1363 C5j BOT B 1 27.630 28.359 0.000 0.00 1.00 -ATOM 1364 C5k BOT B 1 27.630 28.359 3.350 0.00 1.00 -ATOM 1365 C5l BOT B 1 27.630 28.359 6.700 0.00 1.00 -ATOM 1366 C5m BOT B 1 26.402 0.709 0.000 0.00 1.00 -ATOM 1367 C5n BOT B 1 26.402 0.709 3.350 0.00 1.00 -ATOM 1368 C5o BOT B 1 26.402 0.709 6.700 0.00 1.00 -ATOM 1369 C5p BOT B 1 25.174 2.836 0.000 0.00 1.00 -ATOM 1370 C5q BOT B 1 25.174 2.836 3.350 0.00 1.00 -ATOM 1371 C5r BOT B 1 25.174 2.836 6.700 0.00 1.00 -ATOM 1372 C5s BOT B 1 23.946 4.963 0.000 0.00 1.00 -ATOM 1373 C5t BOT B 1 23.946 4.963 3.350 0.00 1.00 -ATOM 1374 C5u BOT B 1 23.946 4.963 6.700 0.00 1.00 -ATOM 1375 C5v BOT B 1 22.718 7.090 0.000 0.00 1.00 -ATOM 1376 C5w BOT B 1 22.718 7.090 3.350 0.00 1.00 -ATOM 1377 C5x BOT B 1 22.718 7.090 6.700 0.00 1.00 -ATOM 1378 C5y BOT B 1 21.490 9.217 0.000 0.00 1.00 -ATOM 1379 C5z BOT B 1 21.490 9.217 3.350 0.00 1.00 -ATOM 1380 C60 BOT B 1 21.490 9.217 6.700 0.00 1.00 -ATOM 1381 C61 BOT B 1 20.262 11.344 0.000 0.00 1.00 -ATOM 1382 C62 BOT B 1 20.262 11.344 3.350 0.00 1.00 -ATOM 1383 C63 BOT B 1 20.262 11.344 6.700 0.00 1.00 -ATOM 1384 C64 BOT B 1 19.034 13.471 0.000 0.00 1.00 -ATOM 1385 C65 BOT B 1 19.034 13.471 3.350 0.00 1.00 -ATOM 1386 C66 BOT B 1 19.034 13.471 6.700 0.00 1.00 -ATOM 1387 C67 BOT B 1 7.982 15.597 0.000 0.00 1.00 -ATOM 1388 C68 BOT B 1 7.982 15.597 3.350 0.00 1.00 -ATOM 1389 C69 BOT B 1 7.982 15.597 6.700 0.00 1.00 -ATOM 1390 C6A BOT B 1 6.754 17.724 0.000 0.00 1.00 -ATOM 1391 C6B BOT B 1 6.754 17.724 3.350 0.00 1.00 -ATOM 1392 C6C BOT B 1 6.754 17.724 6.700 0.00 1.00 -ATOM 1393 C6D BOT B 1 5.526 19.851 0.000 0.00 1.00 -ATOM 1394 C6E BOT B 1 5.526 19.851 3.350 0.00 1.00 -ATOM 1395 C6F BOT B 1 5.526 19.851 6.700 0.00 1.00 -ATOM 1396 C6G BOT B 1 4.298 21.978 0.000 0.00 1.00 -ATOM 1397 C6H BOT B 1 4.298 21.978 3.350 0.00 1.00 -ATOM 1398 C6I BOT B 1 4.298 21.978 6.700 0.00 1.00 -ATOM 1399 C6J BOT B 1 3.070 24.105 0.000 0.00 1.00 -ATOM 1400 C6K BOT B 1 3.070 24.105 3.350 0.00 1.00 -ATOM 1401 C6L BOT B 1 3.070 24.105 6.700 0.00 1.00 -ATOM 1402 C6M BOT B 1 1.842 26.232 0.000 0.00 1.00 -ATOM 1403 C6N BOT B 1 1.842 26.232 3.350 0.00 1.00 -ATOM 1404 C6O BOT B 1 1.842 26.232 6.700 0.00 1.00 -ATOM 1405 C6P BOT B 1 0.614 28.359 0.000 0.00 1.00 -ATOM 1406 C6Q BOT B 1 0.614 28.359 3.350 0.00 1.00 -ATOM 1407 C6R BOT B 1 0.614 28.359 6.700 0.00 1.00 -ATOM 1408 C6S BOT B 1 28.858 0.709 0.000 0.00 1.00 -ATOM 1409 C6T BOT B 1 28.858 0.709 3.350 0.00 1.00 -ATOM 1410 C6U BOT B 1 28.858 0.709 6.700 0.00 1.00 -ATOM 1411 C6V BOT B 1 27.630 2.836 0.000 0.00 1.00 -ATOM 1412 C6W BOT B 1 27.630 2.836 3.350 0.00 1.00 -ATOM 1413 C6X BOT B 1 27.630 2.836 6.700 0.00 1.00 -ATOM 1414 C6Y BOT B 1 26.402 4.963 0.000 0.00 1.00 -ATOM 1415 C6Z BOT B 1 26.402 4.963 3.350 0.00 1.00 -ATOM 1416 C6a BOT B 1 26.402 4.963 6.700 0.00 1.00 -ATOM 1417 C6b BOT B 1 25.174 7.090 0.000 0.00 1.00 -ATOM 1418 C6c BOT B 1 25.174 7.090 3.350 0.00 1.00 -ATOM 1419 C6d BOT B 1 25.174 7.090 6.700 0.00 1.00 -ATOM 1420 C6e BOT B 1 23.946 9.217 0.000 0.00 1.00 -ATOM 1421 C6f BOT B 1 23.946 9.217 3.350 0.00 1.00 -ATOM 1422 C6g BOT B 1 23.946 9.217 6.700 0.00 1.00 -ATOM 1423 C6h BOT B 1 22.718 11.344 0.000 0.00 1.00 -ATOM 1424 C6i BOT B 1 22.718 11.344 3.350 0.00 1.00 -ATOM 1425 C6j BOT B 1 22.718 11.344 6.700 0.00 1.00 -ATOM 1426 C6k BOT B 1 21.490 13.471 0.000 0.00 1.00 -ATOM 1427 C6l BOT B 1 21.490 13.471 3.350 0.00 1.00 -ATOM 1428 C6m BOT B 1 21.490 13.471 6.700 0.00 1.00 -ATOM 1429 C6n BOT B 1 10.438 15.597 0.000 0.00 1.00 -ATOM 1430 C6o 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3.070 28.359 6.700 0.00 1.00 -ATOM 1450 C78 BOT B 1 1.842 0.709 0.000 0.00 1.00 -ATOM 1451 C79 BOT B 1 1.842 0.709 3.350 0.00 1.00 -ATOM 1452 C7A BOT B 1 1.842 0.709 6.700 0.00 1.00 -ATOM 1453 C7B BOT B 1 0.614 2.836 0.000 0.00 1.00 -ATOM 1454 C7C BOT B 1 0.614 2.836 3.350 0.00 1.00 -ATOM 1455 C7D BOT B 1 0.614 2.836 6.700 0.00 1.00 -ATOM 1456 C7E BOT B 1 28.858 4.963 0.000 0.00 1.00 -ATOM 1457 C7F BOT B 1 28.858 4.963 3.350 0.00 1.00 -ATOM 1458 C7G BOT B 1 28.858 4.963 6.700 0.00 1.00 -ATOM 1459 C7H BOT B 1 27.630 7.090 0.000 0.00 1.00 -ATOM 1460 C7I BOT B 1 27.630 7.090 3.350 0.00 1.00 -ATOM 1461 C7J BOT B 1 27.630 7.090 6.700 0.00 1.00 -ATOM 1462 C7K BOT B 1 26.402 9.217 0.000 0.00 1.00 -ATOM 1463 C7L BOT B 1 26.402 9.217 3.350 0.00 1.00 -ATOM 1464 C7M BOT B 1 26.402 9.217 6.700 0.00 1.00 -ATOM 1465 C7N BOT B 1 25.174 11.344 0.000 0.00 1.00 -ATOM 1466 C7O BOT B 1 25.174 11.344 3.350 0.00 1.00 -ATOM 1467 C7P BOT B 1 25.174 11.344 6.700 0.00 1.00 -ATOM 1468 C7Q BOT B 1 23.946 13.471 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1507 C83 BOT B 1 27.630 11.344 0.000 0.00 1.00 -ATOM 1508 C84 BOT B 1 27.630 11.344 3.350 0.00 1.00 -ATOM 1509 C85 BOT B 1 27.630 11.344 6.700 0.00 1.00 -ATOM 1510 C86 BOT B 1 26.402 13.471 0.000 0.00 1.00 -ATOM 1511 C87 BOT B 1 26.402 13.471 3.350 0.00 1.00 -ATOM 1512 C88 BOT B 1 26.402 13.471 6.700 0.00 1.00 -ATOM 1513 C89 BOT B 1 16.578 16.306 0.000 0.00 1.00 -ATOM 1514 C8A BOT B 1 16.578 16.306 3.350 0.00 1.00 -ATOM 1515 C8B BOT B 1 16.578 16.306 6.700 0.00 1.00 -ATOM 1516 C8C BOT B 1 15.350 18.433 0.000 0.00 1.00 -ATOM 1517 C8D BOT B 1 15.350 18.433 3.350 0.00 1.00 -ATOM 1518 C8E BOT B 1 15.350 18.433 6.700 0.00 1.00 -ATOM 1519 C8F BOT B 1 14.122 20.560 0.000 0.00 1.00 -ATOM 1520 C8G BOT B 1 14.122 20.560 3.350 0.00 1.00 -ATOM 1521 C8H BOT B 1 14.122 20.560 6.700 0.00 1.00 -ATOM 1522 C8I BOT B 1 12.894 22.687 0.000 0.00 1.00 -ATOM 1523 C8J BOT B 1 12.894 22.687 3.350 0.00 1.00 -ATOM 1524 C8K BOT B 1 12.894 22.687 6.700 0.00 1.00 -ATOM 1525 C8L BOT B 1 11.666 24.814 0.000 0.00 1.00 -ATOM 1526 C8M BOT B 1 11.666 24.814 3.350 0.00 1.00 -ATOM 1527 C8N BOT B 1 11.666 24.814 6.700 0.00 1.00 -ATOM 1528 C8O BOT B 1 10.438 26.941 0.000 0.00 1.00 -ATOM 1529 C8P BOT B 1 10.438 26.941 3.350 0.00 1.00 -ATOM 1530 C8Q BOT B 1 10.438 26.941 6.700 0.00 1.00 -ATOM 1531 C8R BOT B 1 9.210 29.068 0.000 0.00 1.00 -ATOM 1532 C8S BOT B 1 9.210 29.068 3.350 0.00 1.00 -ATOM 1533 C8T BOT B 1 9.210 29.068 6.700 0.00 1.00 -ATOM 1534 C8U BOT B 1 7.982 1.418 0.000 0.00 1.00 -ATOM 1535 C8V BOT B 1 7.982 1.418 3.350 0.00 1.00 -ATOM 1536 C8W BOT B 1 7.982 1.418 6.700 0.00 1.00 -ATOM 1537 C8X BOT B 1 6.754 3.545 0.000 0.00 1.00 -ATOM 1538 C8Y BOT B 1 6.754 3.545 3.350 0.00 1.00 -ATOM 1539 C8Z BOT B 1 6.754 3.545 6.700 0.00 1.00 -ATOM 1540 C8a BOT B 1 5.526 5.672 0.000 0.00 1.00 -ATOM 1541 C8b BOT B 1 5.526 5.672 3.350 0.00 1.00 -ATOM 1542 C8c BOT B 1 5.526 5.672 6.700 0.00 1.00 -ATOM 1543 C8d BOT B 1 4.298 7.799 0.000 0.00 1.00 -ATOM 1544 C8e BOT B 1 4.298 7.799 3.350 0.00 1.00 -ATOM 1545 C8f BOT 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15.350 22.687 0.000 0.00 1.00 -ATOM 1565 C8z BOT B 1 15.350 22.687 3.350 0.00 1.00 -ATOM 1566 C90 BOT B 1 15.350 22.687 6.700 0.00 1.00 -ATOM 1567 C91 BOT B 1 14.122 24.814 0.000 0.00 1.00 -ATOM 1568 C92 BOT B 1 14.122 24.814 3.350 0.00 1.00 -ATOM 1569 C93 BOT B 1 14.122 24.814 6.700 0.00 1.00 -ATOM 1570 C94 BOT B 1 12.894 26.941 0.000 0.00 1.00 -ATOM 1571 C95 BOT B 1 12.894 26.941 3.350 0.00 1.00 -ATOM 1572 C96 BOT B 1 12.894 26.941 6.700 0.00 1.00 -ATOM 1573 C97 BOT B 1 11.666 29.068 0.000 0.00 1.00 -ATOM 1574 C98 BOT B 1 11.666 29.068 3.350 0.00 1.00 -ATOM 1575 C99 BOT B 1 11.666 29.068 6.700 0.00 1.00 -ATOM 1576 C9A BOT B 1 10.438 1.418 0.000 0.00 1.00 -ATOM 1577 C9B BOT B 1 10.438 1.418 3.350 0.00 1.00 -ATOM 1578 C9C BOT B 1 10.438 1.418 6.700 0.00 1.00 -ATOM 1579 C9D BOT B 1 9.210 3.545 0.000 0.00 1.00 -ATOM 1580 C9E BOT B 1 9.210 3.545 3.350 0.00 1.00 -ATOM 1581 C9F BOT B 1 9.210 3.545 6.700 0.00 1.00 -ATOM 1582 C9G BOT B 1 7.982 5.672 0.000 0.00 1.00 -ATOM 1583 C9H BOT B 1 7.982 5.672 3.350 0.00 1.00 -ATOM 1584 C9I BOT B 1 7.982 5.672 6.700 0.00 1.00 -ATOM 1585 C9J BOT B 1 6.754 7.799 0.000 0.00 1.00 -ATOM 1586 C9K BOT B 1 6.754 7.799 3.350 0.00 1.00 -ATOM 1587 C9L BOT B 1 6.754 7.799 6.700 0.00 1.00 -ATOM 1588 C9M BOT B 1 5.526 9.926 0.000 0.00 1.00 -ATOM 1589 C9N BOT B 1 5.526 9.926 3.350 0.00 1.00 -ATOM 1590 C9O BOT B 1 5.526 9.926 6.700 0.00 1.00 -ATOM 1591 C9P BOT B 1 4.298 12.053 0.000 0.00 1.00 -ATOM 1592 C9Q BOT B 1 4.298 12.053 3.350 0.00 1.00 -ATOM 1593 C9R BOT B 1 4.298 12.053 6.700 0.00 1.00 -ATOM 1594 C9S BOT B 1 3.070 14.180 0.000 0.00 1.00 -ATOM 1595 C9T BOT B 1 3.070 14.180 3.350 0.00 1.00 -ATOM 1596 C9U BOT B 1 3.070 14.180 6.700 0.00 1.00 -ATOM 1597 C9V BOT B 1 21.490 16.306 0.000 0.00 1.00 -ATOM 1598 C9W BOT B 1 21.490 16.306 3.350 0.00 1.00 -ATOM 1599 C9X BOT B 1 21.490 16.306 6.700 0.00 1.00 -ATOM 1600 C9Y BOT B 1 20.262 18.433 0.000 0.00 1.00 -ATOM 1601 C9Z BOT B 1 20.262 18.433 3.350 0.00 1.00 -ATOM 1602 C9a BOT B 1 20.262 18.433 6.700 0.00 1.00 -ATOM 1603 C9b BOT B 1 19.034 20.560 0.000 0.00 1.00 -ATOM 1604 C9c BOT B 1 19.034 20.560 3.350 0.00 1.00 -ATOM 1605 C9d BOT B 1 19.034 20.560 6.700 0.00 1.00 -ATOM 1606 C9e BOT B 1 17.806 22.687 0.000 0.00 1.00 -ATOM 1607 C9f BOT B 1 17.806 22.687 3.350 0.00 1.00 -ATOM 1608 C9g BOT B 1 17.806 22.687 6.700 0.00 1.00 -ATOM 1609 C9h BOT B 1 16.578 24.814 0.000 0.00 1.00 -ATOM 1610 C9i BOT B 1 16.578 24.814 3.350 0.00 1.00 -ATOM 1611 C9j BOT B 1 16.578 24.814 6.700 0.00 1.00 -ATOM 1612 C9k BOT B 1 15.350 26.941 0.000 0.00 1.00 -ATOM 1613 C9l BOT B 1 15.350 26.941 3.350 0.00 1.00 -ATOM 1614 C9m BOT B 1 15.350 26.941 6.700 0.00 1.00 -ATOM 1615 C9n BOT B 1 14.122 29.068 0.000 0.00 1.00 -ATOM 1616 C9o BOT B 1 14.122 29.068 3.350 0.00 1.00 -ATOM 1617 C9p BOT B 1 14.122 29.068 6.700 0.00 1.00 -ATOM 1618 C9q BOT B 1 12.894 1.418 0.000 0.00 1.00 -ATOM 1619 C9r BOT B 1 12.894 1.418 3.350 0.00 1.00 -ATOM 1620 C9s BOT B 1 12.894 1.418 6.700 0.00 1.00 -ATOM 1621 C9t BOT B 1 11.666 3.545 0.000 0.00 1.00 -ATOM 1622 C9u BOT B 1 11.666 3.545 3.350 0.00 1.00 -ATOM 1623 C9v BOT B 1 11.666 3.545 6.700 0.00 1.00 -ATOM 1624 C9w BOT B 1 10.438 5.672 0.000 0.00 1.00 -ATOM 1625 C9x BOT B 1 10.438 5.672 3.350 0.00 1.00 -ATOM 1626 C9y BOT B 1 10.438 5.672 6.700 0.00 1.00 -ATOM 1627 C9z BOT B 1 9.210 7.799 0.000 0.00 1.00 -ATOM 1628 CA0 BOT B 1 9.210 7.799 3.350 0.00 1.00 -ATOM 1629 CA1 BOT B 1 9.210 7.799 6.700 0.00 1.00 -ATOM 1630 CA2 BOT B 1 7.982 9.926 0.000 0.00 1.00 -ATOM 1631 CA3 BOT B 1 7.982 9.926 3.350 0.00 1.00 -ATOM 1632 CA4 BOT B 1 7.982 9.926 6.700 0.00 1.00 -ATOM 1633 CA5 BOT B 1 6.754 12.053 0.000 0.00 1.00 -ATOM 1634 CA6 BOT B 1 6.754 12.053 3.350 0.00 1.00 -ATOM 1635 CA7 BOT B 1 6.754 12.053 6.700 0.00 1.00 -ATOM 1636 CA8 BOT B 1 5.526 14.180 0.000 0.00 1.00 -ATOM 1637 CA9 BOT B 1 5.526 14.180 3.350 0.00 1.00 -ATOM 1638 CAA BOT B 1 5.526 14.180 6.700 0.00 1.00 -ATOM 1639 CAB BOT B 1 23.946 16.306 0.000 0.00 1.00 -ATOM 1640 CAC BOT B 1 23.946 16.306 3.350 0.00 1.00 -ATOM 1641 CAD BOT B 1 23.946 16.306 6.700 0.00 1.00 -ATOM 1642 CAE BOT B 1 22.718 18.433 0.000 0.00 1.00 -ATOM 1643 CAF BOT B 1 22.718 18.433 3.350 0.00 1.00 -ATOM 1644 CAG BOT B 1 22.718 18.433 6.700 0.00 1.00 -ATOM 1645 CAH BOT B 1 21.490 20.560 0.000 0.00 1.00 -ATOM 1646 CAI BOT B 1 21.490 20.560 3.350 0.00 1.00 -ATOM 1647 CAJ BOT B 1 21.490 20.560 6.700 0.00 1.00 -ATOM 1648 CAK BOT B 1 20.262 22.687 0.000 0.00 1.00 -ATOM 1649 CAL BOT B 1 20.262 22.687 3.350 0.00 1.00 -ATOM 1650 CAM BOT B 1 20.262 22.687 6.700 0.00 1.00 -ATOM 1651 CAN BOT B 1 19.034 24.814 0.000 0.00 1.00 -ATOM 1652 CAO BOT B 1 19.034 24.814 3.350 0.00 1.00 -ATOM 1653 CAP BOT B 1 19.034 24.814 6.700 0.00 1.00 -ATOM 1654 CAQ BOT B 1 17.806 26.941 0.000 0.00 1.00 -ATOM 1655 CAR BOT B 1 17.806 26.941 3.350 0.00 1.00 -ATOM 1656 CAS BOT B 1 17.806 26.941 6.700 0.00 1.00 -ATOM 1657 CAT BOT B 1 16.578 29.068 0.000 0.00 1.00 -ATOM 1658 CAU BOT B 1 16.578 29.068 3.350 0.00 1.00 -ATOM 1659 CAV BOT B 1 16.578 29.068 6.700 0.00 1.00 -ATOM 1660 CAW BOT B 1 15.350 1.418 0.000 0.00 1.00 -ATOM 1661 CAX BOT B 1 15.350 1.418 3.350 0.00 1.00 -ATOM 1662 CAY BOT B 1 15.350 1.418 6.700 0.00 1.00 -ATOM 1663 CAZ BOT B 1 14.122 3.545 0.000 0.00 1.00 -ATOM 1664 CAa BOT B 1 14.122 3.545 3.350 0.00 1.00 -ATOM 1665 CAb BOT B 1 14.122 3.545 6.700 0.00 1.00 -ATOM 1666 CAc BOT B 1 12.894 5.672 0.000 0.00 1.00 -ATOM 1667 CAd BOT B 1 12.894 5.672 3.350 0.00 1.00 -ATOM 1668 CAe BOT B 1 12.894 5.672 6.700 0.00 1.00 -ATOM 1669 CAf BOT B 1 11.666 7.799 0.000 0.00 1.00 -ATOM 1670 CAg BOT B 1 11.666 7.799 3.350 0.00 1.00 -ATOM 1671 CAh BOT B 1 11.666 7.799 6.700 0.00 1.00 -ATOM 1672 CAi BOT B 1 10.438 9.926 0.000 0.00 1.00 -ATOM 1673 CAj BOT B 1 10.438 9.926 3.350 0.00 1.00 -ATOM 1674 CAk BOT B 1 10.438 9.926 6.700 0.00 1.00 -ATOM 1675 CAl BOT B 1 9.210 12.053 0.000 0.00 1.00 -ATOM 1676 CAm BOT B 1 9.210 12.053 3.350 0.00 1.00 -ATOM 1677 CAn BOT B 1 9.210 12.053 6.700 0.00 1.00 -ATOM 1678 CAo BOT B 1 7.982 14.180 0.000 0.00 1.00 -ATOM 1679 CAp BOT B 1 7.982 14.180 3.350 0.00 1.00 -ATOM 1680 CAq BOT B 1 7.982 14.180 6.700 0.00 1.00 -ATOM 1681 CAr BOT B 1 26.402 16.306 0.000 0.00 1.00 -ATOM 1682 CAs BOT B 1 26.402 16.306 3.350 0.00 1.00 -ATOM 1683 CAt BOT B 1 26.402 16.306 6.700 0.00 1.00 -ATOM 1684 CAu BOT B 1 25.174 18.433 0.000 0.00 1.00 -ATOM 1685 CAv BOT B 1 25.174 18.433 3.350 0.00 1.00 -ATOM 1686 CAw BOT B 1 25.174 18.433 6.700 0.00 1.00 -ATOM 1687 CAx BOT B 1 23.946 20.560 0.000 0.00 1.00 -ATOM 1688 CAy BOT B 1 23.946 20.560 3.350 0.00 1.00 -ATOM 1689 CAz BOT B 1 23.946 20.560 6.700 0.00 1.00 -ATOM 1690 CB0 BOT B 1 22.718 22.687 0.000 0.00 1.00 -ATOM 1691 CB1 BOT B 1 22.718 22.687 3.350 0.00 1.00 -ATOM 1692 CB2 BOT B 1 22.718 22.687 6.700 0.00 1.00 -ATOM 1693 CB3 BOT B 1 21.490 24.814 0.000 0.00 1.00 -ATOM 1694 CB4 BOT B 1 21.490 24.814 3.350 0.00 1.00 -ATOM 1695 CB5 BOT B 1 21.490 24.814 6.700 0.00 1.00 -ATOM 1696 CB6 BOT B 1 20.262 26.941 0.000 0.00 1.00 -ATOM 1697 CB7 BOT B 1 20.262 26.941 3.350 0.00 1.00 -ATOM 1698 CB8 BOT B 1 20.262 26.941 6.700 0.00 1.00 -ATOM 1699 CB9 BOT B 1 19.034 29.068 0.000 0.00 1.00 -ATOM 1700 CBA BOT B 1 19.034 29.068 3.350 0.00 1.00 -ATOM 1701 CBB BOT B 1 19.034 29.068 6.700 0.00 1.00 -ATOM 1702 CBC BOT B 1 17.806 1.418 0.000 0.00 1.00 -ATOM 1703 CBD BOT B 1 17.806 1.418 3.350 0.00 1.00 -ATOM 1704 CBE BOT B 1 17.806 1.418 6.700 0.00 1.00 -ATOM 1705 CBF BOT B 1 16.578 3.545 0.000 0.00 1.00 -ATOM 1706 CBG BOT B 1 16.578 3.545 3.350 0.00 1.00 -ATOM 1707 CBH BOT B 1 16.578 3.545 6.700 0.00 1.00 -ATOM 1708 CBI BOT B 1 15.350 5.672 0.000 0.00 1.00 -ATOM 1709 CBJ BOT B 1 15.350 5.672 3.350 0.00 1.00 -ATOM 1710 CBK BOT B 1 15.350 5.672 6.700 0.00 1.00 -ATOM 1711 CBL BOT B 1 14.122 7.799 0.000 0.00 1.00 -ATOM 1712 CBM BOT B 1 14.122 7.799 3.350 0.00 1.00 -ATOM 1713 CBN BOT B 1 14.122 7.799 6.700 0.00 1.00 -ATOM 1714 CBO BOT B 1 12.894 9.926 0.000 0.00 1.00 -ATOM 1715 CBP BOT B 1 12.894 9.926 3.350 0.00 1.00 -ATOM 1716 CBQ BOT B 1 12.894 9.926 6.700 0.00 1.00 -ATOM 1717 CBR BOT B 1 11.666 12.053 0.000 0.00 1.00 -ATOM 1718 CBS BOT B 1 11.666 12.053 3.350 0.00 1.00 -ATOM 1719 CBT BOT B 1 11.666 12.053 6.700 0.00 1.00 -ATOM 1720 CBU BOT B 1 10.438 14.180 0.000 0.00 1.00 -ATOM 1721 CBV BOT B 1 10.438 14.180 3.350 0.00 1.00 -ATOM 1722 CBW BOT B 1 10.438 14.180 6.700 0.00 1.00 -ATOM 1723 CBX BOT B 1 28.858 16.306 0.000 0.00 1.00 -ATOM 1724 CBY BOT B 1 28.858 16.306 3.350 0.00 1.00 -ATOM 1725 CBZ BOT B 1 28.858 16.306 6.700 0.00 1.00 -ATOM 1726 CBa BOT B 1 27.630 18.433 0.000 0.00 1.00 -ATOM 1727 CBb BOT B 1 27.630 18.433 3.350 0.00 1.00 -ATOM 1728 CBc BOT B 1 27.630 18.433 6.700 0.00 1.00 -ATOM 1729 CBd BOT B 1 26.402 20.560 0.000 0.00 1.00 -ATOM 1730 CBe BOT B 1 26.402 20.560 3.350 0.00 1.00 -ATOM 1731 CBf BOT B 1 26.402 20.560 6.700 0.00 1.00 -ATOM 1732 CBg BOT B 1 25.174 22.687 0.000 0.00 1.00 -ATOM 1733 CBh BOT B 1 25.174 22.687 3.350 0.00 1.00 -ATOM 1734 CBi BOT B 1 25.174 22.687 6.700 0.00 1.00 -ATOM 1735 CBj BOT B 1 23.946 24.814 0.000 0.00 1.00 -ATOM 1736 CBk BOT B 1 23.946 24.814 3.350 0.00 1.00 -ATOM 1737 CBl BOT B 1 23.946 24.814 6.700 0.00 1.00 -ATOM 1738 CBm BOT B 1 22.718 26.941 0.000 0.00 1.00 -ATOM 1739 CBn BOT B 1 22.718 26.941 3.350 0.00 1.00 -ATOM 1740 CBo BOT B 1 22.718 26.941 6.700 0.00 1.00 -ATOM 1741 CBp BOT B 1 21.490 29.068 0.000 0.00 1.00 -ATOM 1742 CBq BOT B 1 21.490 29.068 3.350 0.00 1.00 -ATOM 1743 CBr BOT B 1 21.490 29.068 6.700 0.00 1.00 -ATOM 1744 CBs BOT B 1 20.262 1.418 0.000 0.00 1.00 -ATOM 1745 CBt BOT B 1 20.262 1.418 3.350 0.00 1.00 -ATOM 1746 CBu BOT B 1 20.262 1.418 6.700 0.00 1.00 -ATOM 1747 CBv BOT B 1 19.034 3.545 0.000 0.00 1.00 -ATOM 1748 CBw BOT B 1 19.034 3.545 3.350 0.00 1.00 -ATOM 1749 CBx BOT B 1 19.034 3.545 6.700 0.00 1.00 -ATOM 1750 CBy BOT B 1 17.806 5.672 0.000 0.00 1.00 -ATOM 1751 CBz BOT B 1 17.806 5.672 3.350 0.00 1.00 -ATOM 1752 CC0 BOT B 1 17.806 5.672 6.700 0.00 1.00 -ATOM 1753 CC1 BOT B 1 16.578 7.799 0.000 0.00 1.00 -ATOM 1754 CC2 BOT B 1 16.578 7.799 3.350 0.00 1.00 -ATOM 1755 CC3 BOT B 1 16.578 7.799 6.700 0.00 1.00 -ATOM 1756 CC4 BOT B 1 15.350 9.926 0.000 0.00 1.00 -ATOM 1757 CC5 BOT B 1 15.350 9.926 3.350 0.00 1.00 -ATOM 1758 CC6 BOT B 1 15.350 9.926 6.700 0.00 1.00 -ATOM 1759 CC7 BOT B 1 14.122 12.053 0.000 0.00 1.00 -ATOM 1760 CC8 BOT B 1 14.122 12.053 3.350 0.00 1.00 -ATOM 1761 CC9 BOT B 1 14.122 12.053 6.700 0.00 1.00 -ATOM 1762 CCA BOT B 1 12.894 14.180 0.000 0.00 1.00 -ATOM 1763 CCB BOT B 1 12.894 14.180 3.350 0.00 1.00 -ATOM 1764 CCC BOT B 1 12.894 14.180 6.700 0.00 1.00 -ATOM 1765 CCD BOT B 1 1.842 16.306 0.000 0.00 1.00 -ATOM 1766 CCE BOT B 1 1.842 16.306 3.350 0.00 1.00 -ATOM 1767 CCF BOT B 1 1.842 16.306 6.700 0.00 1.00 -ATOM 1768 CCG BOT B 1 0.614 18.433 0.000 0.00 1.00 -ATOM 1769 CCH BOT B 1 0.614 18.433 3.350 0.00 1.00 -ATOM 1770 CCI BOT B 1 0.614 18.433 6.700 0.00 1.00 -ATOM 1771 CCJ BOT B 1 28.858 20.560 0.000 0.00 1.00 -ATOM 1772 CCK BOT B 1 28.858 20.560 3.350 0.00 1.00 -ATOM 1773 CCL BOT B 1 28.858 20.560 6.700 0.00 1.00 -ATOM 1774 CCM BOT B 1 27.630 22.687 0.000 0.00 1.00 -ATOM 1775 CCN BOT B 1 27.630 22.687 3.350 0.00 1.00 -ATOM 1776 CCO BOT B 1 27.630 22.687 6.700 0.00 1.00 -ATOM 1777 CCP BOT B 1 26.402 24.814 0.000 0.00 1.00 -ATOM 1778 CCQ BOT B 1 26.402 24.814 3.350 0.00 1.00 -ATOM 1779 CCR BOT B 1 26.402 24.814 6.700 0.00 1.00 -ATOM 1780 CCS BOT B 1 25.174 26.941 0.000 0.00 1.00 -ATOM 1781 CCT BOT B 1 25.174 26.941 3.350 0.00 1.00 -ATOM 1782 CCU BOT B 1 25.174 26.941 6.700 0.00 1.00 -ATOM 1783 CCV BOT B 1 23.946 29.068 0.000 0.00 1.00 -ATOM 1784 CCW BOT B 1 23.946 29.068 3.350 0.00 1.00 -ATOM 1785 CCX BOT B 1 23.946 29.068 6.700 0.00 1.00 -ATOM 1786 CCY BOT B 1 22.718 1.418 0.000 0.00 1.00 -ATOM 1787 CCZ BOT B 1 22.718 1.418 3.350 0.00 1.00 -ATOM 1788 CCa BOT B 1 22.718 1.418 6.700 0.00 1.00 -ATOM 1789 CCb BOT B 1 21.490 3.545 0.000 0.00 1.00 -ATOM 1790 CCc BOT B 1 21.490 3.545 3.350 0.00 1.00 -ATOM 1791 CCd BOT B 1 21.490 3.545 6.700 0.00 1.00 -ATOM 1792 CCe BOT B 1 20.262 5.672 0.000 0.00 1.00 -ATOM 1793 CCf BOT B 1 20.262 5.672 3.350 0.00 1.00 -ATOM 1794 CCg BOT B 1 20.262 5.672 6.700 0.00 1.00 -ATOM 1795 CCh BOT B 1 19.034 7.799 0.000 0.00 1.00 -ATOM 1796 CCi BOT B 1 19.034 7.799 3.350 0.00 1.00 -ATOM 1797 CCj BOT B 1 19.034 7.799 6.700 0.00 1.00 -ATOM 1798 CCk BOT B 1 17.806 9.926 0.000 0.00 1.00 -ATOM 1799 CCl BOT B 1 17.806 9.926 3.350 0.00 1.00 -ATOM 1800 CCm BOT B 1 17.806 9.926 6.700 0.00 1.00 -ATOM 1801 CCn BOT B 1 16.578 12.053 0.000 0.00 1.00 -ATOM 1802 CCo BOT B 1 16.578 12.053 3.350 0.00 1.00 -ATOM 1803 CCp BOT B 1 16.578 12.053 6.700 0.00 1.00 -ATOM 1804 CCq BOT B 1 15.350 14.180 0.000 0.00 1.00 -ATOM 1805 CCr BOT B 1 15.350 14.180 3.350 0.00 1.00 -ATOM 1806 CCs BOT B 1 15.350 14.180 6.700 0.00 1.00 -ATOM 1807 CCt BOT B 1 4.298 16.306 0.000 0.00 1.00 -ATOM 1808 CCu BOT B 1 4.298 16.306 3.350 0.00 1.00 -ATOM 1809 CCv BOT B 1 4.298 16.306 6.700 0.00 1.00 -ATOM 1810 CCw BOT B 1 3.070 18.433 0.000 0.00 1.00 -ATOM 1811 CCx BOT B 1 3.070 18.433 3.350 0.00 1.00 -ATOM 1812 CCy BOT B 1 3.070 18.433 6.700 0.00 1.00 -ATOM 1813 CCz BOT B 1 1.842 20.560 0.000 0.00 1.00 -ATOM 1814 CD0 BOT B 1 1.842 20.560 3.350 0.00 1.00 -ATOM 1815 CD1 BOT B 1 1.842 20.560 6.700 0.00 1.00 -ATOM 1816 CD2 BOT B 1 0.614 22.687 0.000 0.00 1.00 -ATOM 1817 CD3 BOT B 1 0.614 22.687 3.350 0.00 1.00 -ATOM 1818 CD4 BOT B 1 0.614 22.687 6.700 0.00 1.00 -ATOM 1819 CD5 BOT B 1 28.858 24.814 0.000 0.00 1.00 -ATOM 1820 CD6 BOT B 1 28.858 24.814 3.350 0.00 1.00 -ATOM 1821 CD7 BOT B 1 28.858 24.814 6.700 0.00 1.00 -ATOM 1822 CD8 BOT B 1 27.630 26.941 0.000 0.00 1.00 -ATOM 1823 CD9 BOT B 1 27.630 26.941 3.350 0.00 1.00 -ATOM 1824 CDA BOT B 1 27.630 26.941 6.700 0.00 1.00 -ATOM 1825 CDB BOT B 1 26.402 29.068 0.000 0.00 1.00 -ATOM 1826 CDC BOT B 1 26.402 29.068 3.350 0.00 1.00 -ATOM 1827 CDD BOT B 1 26.402 29.068 6.700 0.00 1.00 -ATOM 1828 CDE BOT B 1 25.174 1.418 0.000 0.00 1.00 -ATOM 1829 CDF BOT B 1 25.174 1.418 3.350 0.00 1.00 -ATOM 1830 CDG BOT B 1 25.174 1.418 6.700 0.00 1.00 -ATOM 1831 CDH BOT B 1 23.946 3.545 0.000 0.00 1.00 -ATOM 1832 CDI BOT B 1 23.946 3.545 3.350 0.00 1.00 -ATOM 1833 CDJ BOT B 1 23.946 3.545 6.700 0.00 1.00 -ATOM 1834 CDK BOT B 1 22.718 5.672 0.000 0.00 1.00 -ATOM 1835 CDL BOT B 1 22.718 5.672 3.350 0.00 1.00 -ATOM 1836 CDM BOT B 1 22.718 5.672 6.700 0.00 1.00 -ATOM 1837 CDN BOT B 1 21.490 7.799 0.000 0.00 1.00 -ATOM 1838 CDO BOT B 1 21.490 7.799 3.350 0.00 1.00 -ATOM 1839 CDP BOT B 1 21.490 7.799 6.700 0.00 1.00 -ATOM 1840 CDQ BOT B 1 20.262 9.926 0.000 0.00 1.00 -ATOM 1841 CDR BOT B 1 20.262 9.926 3.350 0.00 1.00 -ATOM 1842 CDS BOT B 1 20.262 9.926 6.700 0.00 1.00 -ATOM 1843 CDT BOT B 1 19.034 12.053 0.000 0.00 1.00 -ATOM 1844 CDU BOT B 1 19.034 12.053 3.350 0.00 1.00 -ATOM 1845 CDV BOT B 1 19.034 12.053 6.700 0.00 1.00 -ATOM 1846 CDW BOT B 1 17.806 14.180 0.000 0.00 1.00 -ATOM 1847 CDX BOT B 1 17.806 14.180 3.350 0.00 1.00 -ATOM 1848 CDY BOT B 1 17.806 14.180 6.700 0.00 1.00 -ATOM 1849 CDZ BOT B 1 6.754 16.306 0.000 0.00 1.00 -ATOM 1850 CDa BOT B 1 6.754 16.306 3.350 0.00 1.00 -ATOM 1851 CDb BOT B 1 6.754 16.306 6.700 0.00 1.00 -ATOM 1852 CDc BOT B 1 5.526 18.433 0.000 0.00 1.00 -ATOM 1853 CDd BOT B 1 5.526 18.433 3.350 0.00 1.00 -ATOM 1854 CDe BOT B 1 5.526 18.433 6.700 0.00 1.00 -ATOM 1855 CDf BOT B 1 4.298 20.560 0.000 0.00 1.00 -ATOM 1856 CDg BOT B 1 4.298 20.560 3.350 0.00 1.00 -ATOM 1857 CDh BOT B 1 4.298 20.560 6.700 0.00 1.00 -ATOM 1858 CDi BOT B 1 3.070 22.687 0.000 0.00 1.00 -ATOM 1859 CDj BOT B 1 3.070 22.687 3.350 0.00 1.00 -ATOM 1860 CDk BOT B 1 3.070 22.687 6.700 0.00 1.00 -ATOM 1861 CDl BOT B 1 1.842 24.814 0.000 0.00 1.00 -ATOM 1862 CDm BOT B 1 1.842 24.814 3.350 0.00 1.00 -ATOM 1863 CDn BOT B 1 1.842 24.814 6.700 0.00 1.00 -ATOM 1864 CDo BOT B 1 0.614 26.941 0.000 0.00 1.00 -ATOM 1865 CDp BOT B 1 0.614 26.941 3.350 0.00 1.00 -ATOM 1866 CDq BOT B 1 0.614 26.941 6.700 0.00 1.00 -ATOM 1867 CDr BOT B 1 28.858 29.068 0.000 0.00 1.00 -ATOM 1868 CDs BOT B 1 28.858 29.068 3.350 0.00 1.00 -ATOM 1869 CDt BOT B 1 28.858 29.068 6.700 0.00 1.00 -ATOM 1870 CDu BOT B 1 27.630 1.418 0.000 0.00 1.00 -ATOM 1871 CDv BOT B 1 27.630 1.418 3.350 0.00 1.00 -ATOM 1872 CDw BOT B 1 27.630 1.418 6.700 0.00 1.00 -ATOM 1873 CDx BOT B 1 26.402 3.545 0.000 0.00 1.00 -ATOM 1874 CDy BOT B 1 26.402 3.545 3.350 0.00 1.00 -ATOM 1875 CDz BOT B 1 26.402 3.545 6.700 0.00 1.00 -ATOM 1876 CE0 BOT B 1 25.174 5.672 0.000 0.00 1.00 -ATOM 1877 CE1 BOT B 1 25.174 5.672 3.350 0.00 1.00 -ATOM 1878 CE2 BOT B 1 25.174 5.672 6.700 0.00 1.00 -ATOM 1879 CE3 BOT B 1 23.946 7.799 0.000 0.00 1.00 -ATOM 1880 CE4 BOT B 1 23.946 7.799 3.350 0.00 1.00 -ATOM 1881 CE5 BOT B 1 23.946 7.799 6.700 0.00 1.00 -ATOM 1882 CE6 BOT B 1 22.718 9.926 0.000 0.00 1.00 -ATOM 1883 CE7 BOT B 1 22.718 9.926 3.350 0.00 1.00 -ATOM 1884 CE8 BOT B 1 22.718 9.926 6.700 0.00 1.00 -ATOM 1885 CE9 BOT B 1 21.490 12.053 0.000 0.00 1.00 -ATOM 1886 CEA BOT B 1 21.490 12.053 3.350 0.00 1.00 -ATOM 1887 CEB BOT B 1 21.490 12.053 6.700 0.00 1.00 -ATOM 1888 CEC BOT B 1 20.262 14.180 0.000 0.00 1.00 -ATOM 1889 CED BOT B 1 20.262 14.180 3.350 0.00 1.00 -ATOM 1890 CEE BOT B 1 20.262 14.180 6.700 0.00 1.00 -ATOM 1891 CEF BOT B 1 9.210 16.306 0.000 0.00 1.00 -ATOM 1892 CEG BOT B 1 9.210 16.306 3.350 0.00 1.00 -ATOM 1893 CEH BOT B 1 9.210 16.306 6.700 0.00 1.00 -ATOM 1894 CEI BOT B 1 7.982 18.433 0.000 0.00 1.00 -ATOM 1895 CEJ BOT B 1 7.982 18.433 3.350 0.00 1.00 -ATOM 1896 CEK BOT B 1 7.982 18.433 6.700 0.00 1.00 -ATOM 1897 CEL BOT B 1 6.754 20.560 0.000 0.00 1.00 -ATOM 1898 CEM BOT B 1 6.754 20.560 3.350 0.00 1.00 -ATOM 1899 CEN BOT B 1 6.754 20.560 6.700 0.00 1.00 -ATOM 1900 CEO BOT B 1 5.526 22.687 0.000 0.00 1.00 -ATOM 1901 CEP BOT B 1 5.526 22.687 3.350 0.00 1.00 -ATOM 1902 CEQ BOT B 1 5.526 22.687 6.700 0.00 1.00 -ATOM 1903 CER BOT B 1 4.298 24.814 0.000 0.00 1.00 -ATOM 1904 CES BOT B 1 4.298 24.814 3.350 0.00 1.00 -ATOM 1905 CET BOT B 1 4.298 24.814 6.700 0.00 1.00 -ATOM 1906 CEU BOT B 1 3.070 26.941 0.000 0.00 1.00 -ATOM 1907 CEV BOT B 1 3.070 26.941 3.350 0.00 1.00 -ATOM 1908 CEW BOT B 1 3.070 26.941 6.700 0.00 1.00 -ATOM 1909 CEX BOT B 1 1.842 29.068 0.000 0.00 1.00 -ATOM 1910 CEY BOT B 1 1.842 29.068 3.350 0.00 1.00 -ATOM 1911 CEZ BOT B 1 1.842 29.068 6.700 0.00 1.00 -ATOM 1912 CEa BOT B 1 0.614 1.418 0.000 0.00 1.00 -ATOM 1913 CEb BOT B 1 0.614 1.418 3.350 0.00 1.00 -ATOM 1914 CEc BOT B 1 0.614 1.418 6.700 0.00 1.00 -ATOM 1915 CEd BOT B 1 28.858 3.545 0.000 0.00 1.00 -ATOM 1916 CEe BOT B 1 28.858 3.545 3.350 0.00 1.00 -ATOM 1917 CEf BOT B 1 28.858 3.545 6.700 0.00 1.00 -ATOM 1918 CEg BOT B 1 27.630 5.672 0.000 0.00 1.00 -ATOM 1919 CEh BOT B 1 27.630 5.672 3.350 0.00 1.00 -ATOM 1920 CEi BOT B 1 27.630 5.672 6.700 0.00 1.00 -ATOM 1921 CEj BOT B 1 26.402 7.799 0.000 0.00 1.00 -ATOM 1922 CEk BOT B 1 26.402 7.799 3.350 0.00 1.00 -ATOM 1923 CEl BOT B 1 26.402 7.799 6.700 0.00 1.00 -ATOM 1924 CEm BOT B 1 25.174 9.926 0.000 0.00 1.00 -ATOM 1925 CEn BOT B 1 25.174 9.926 3.350 0.00 1.00 -ATOM 1926 CEo BOT B 1 25.174 9.926 6.700 0.00 1.00 -ATOM 1927 CEp BOT B 1 23.946 12.053 0.000 0.00 1.00 -ATOM 1928 CEq BOT B 1 23.946 12.053 3.350 0.00 1.00 -ATOM 1929 CEr BOT B 1 23.946 12.053 6.700 0.00 1.00 -ATOM 1930 CEs BOT B 1 22.718 14.180 0.000 0.00 1.00 -ATOM 1931 CEt BOT B 1 22.718 14.180 3.350 0.00 1.00 -ATOM 1932 CEu BOT B 1 22.718 14.180 6.700 0.00 1.00 -ATOM 1933 CEv BOT B 1 11.666 16.306 0.000 0.00 1.00 -ATOM 1934 CEw BOT B 1 11.666 16.306 3.350 0.00 1.00 -ATOM 1935 CEx BOT B 1 11.666 16.306 6.700 0.00 1.00 -ATOM 1936 CEy BOT B 1 10.438 18.433 0.000 0.00 1.00 -ATOM 1937 CEz BOT B 1 10.438 18.433 3.350 0.00 1.00 -ATOM 1938 CF0 BOT B 1 10.438 18.433 6.700 0.00 1.00 -ATOM 1939 CF1 BOT B 1 9.210 20.560 0.000 0.00 1.00 -ATOM 1940 CF2 BOT B 1 9.210 20.560 3.350 0.00 1.00 -ATOM 1941 CF3 BOT B 1 9.210 20.560 6.700 0.00 1.00 -ATOM 1942 CF4 BOT B 1 7.982 22.687 0.000 0.00 1.00 -ATOM 1943 CF5 BOT B 1 7.982 22.687 3.350 0.00 1.00 -ATOM 1944 CF6 BOT B 1 7.982 22.687 6.700 0.00 1.00 -ATOM 1945 CF7 BOT B 1 6.754 24.814 0.000 0.00 1.00 -ATOM 1946 CF8 BOT B 1 6.754 24.814 3.350 0.00 1.00 -ATOM 1947 CF9 BOT B 1 6.754 24.814 6.700 0.00 1.00 -ATOM 1948 CFA BOT B 1 5.526 26.941 0.000 0.00 1.00 -ATOM 1949 CFB BOT B 1 5.526 26.941 3.350 0.00 1.00 -ATOM 1950 CFC BOT B 1 5.526 26.941 6.700 0.00 1.00 -ATOM 1951 CFD BOT B 1 4.298 29.068 0.000 0.00 1.00 -ATOM 1952 CFE BOT B 1 4.298 29.068 3.350 0.00 1.00 -ATOM 1953 CFF BOT B 1 4.298 29.068 6.700 0.00 1.00 -ATOM 1954 CFG BOT B 1 3.070 1.418 0.000 0.00 1.00 -ATOM 1955 CFH BOT B 1 3.070 1.418 3.350 0.00 1.00 -ATOM 1956 CFI BOT B 1 3.070 1.418 6.700 0.00 1.00 -ATOM 1957 CFJ BOT B 1 1.842 3.545 0.000 0.00 1.00 -ATOM 1958 CFK BOT B 1 1.842 3.545 3.350 0.00 1.00 -ATOM 1959 CFL BOT B 1 1.842 3.545 6.700 0.00 1.00 -ATOM 1960 CFM BOT B 1 0.614 5.672 0.000 0.00 1.00 -ATOM 1961 CFN BOT B 1 0.614 5.672 3.350 0.00 1.00 -ATOM 1962 CFO BOT B 1 0.614 5.672 6.700 0.00 1.00 -ATOM 1963 CFP BOT B 1 28.858 7.799 0.000 0.00 1.00 -ATOM 1964 CFQ BOT B 1 28.858 7.799 3.350 0.00 1.00 -ATOM 1965 CFR BOT B 1 28.858 7.799 6.700 0.00 1.00 -ATOM 1966 CFS BOT B 1 27.630 9.926 0.000 0.00 1.00 -ATOM 1967 CFT BOT B 1 27.630 9.926 3.350 0.00 1.00 -ATOM 1968 CFU BOT B 1 27.630 9.926 6.700 0.00 1.00 -ATOM 1969 CFV BOT B 1 26.402 12.053 0.000 0.00 1.00 -ATOM 1970 CFW BOT B 1 26.402 12.053 3.350 0.00 1.00 -ATOM 1971 CFX BOT B 1 26.402 12.053 6.700 0.00 1.00 -ATOM 1972 CFY BOT B 1 25.174 14.180 0.000 0.00 1.00 -ATOM 1973 CFZ BOT B 1 25.174 14.180 3.350 0.00 1.00 -ATOM 1974 CFa BOT B 1 25.174 14.180 6.700 0.00 1.00 -ATOM 1975 CFb BOT B 1 14.122 16.306 0.000 0.00 1.00 -ATOM 1976 CFc BOT B 1 14.122 16.306 3.350 0.00 1.00 -ATOM 1977 CFd BOT B 1 14.122 16.306 6.700 0.00 1.00 -ATOM 1978 CFe BOT B 1 12.894 18.433 0.000 0.00 1.00 -ATOM 1979 CFf BOT B 1 12.894 18.433 3.350 0.00 1.00 -ATOM 1980 CFg BOT B 1 12.894 18.433 6.700 0.00 1.00 -ATOM 1981 CFh BOT B 1 11.666 20.560 0.000 0.00 1.00 -ATOM 1982 CFi BOT B 1 11.666 20.560 3.350 0.00 1.00 -ATOM 1983 CFj BOT B 1 11.666 20.560 6.700 0.00 1.00 -ATOM 1984 CFk BOT B 1 10.438 22.687 0.000 0.00 1.00 -ATOM 1985 CFl BOT B 1 10.438 22.687 3.350 0.00 1.00 -ATOM 1986 CFm BOT B 1 10.438 22.687 6.700 0.00 1.00 -ATOM 1987 CFn BOT B 1 9.210 24.814 0.000 0.00 1.00 -ATOM 1988 CFo BOT B 1 9.210 24.814 3.350 0.00 1.00 -ATOM 1989 CFp BOT B 1 9.210 24.814 6.700 0.00 1.00 -ATOM 1990 CFq BOT B 1 7.982 26.941 0.000 0.00 1.00 -ATOM 1991 CFr BOT B 1 7.982 26.941 3.350 0.00 1.00 -ATOM 1992 CFs BOT B 1 7.982 26.941 6.700 0.00 1.00 -ATOM 1993 CFt BOT B 1 6.754 29.068 0.000 0.00 1.00 -ATOM 1994 CFu BOT B 1 6.754 29.068 3.350 0.00 1.00 -ATOM 1995 CFv BOT B 1 6.754 29.068 6.700 0.00 1.00 -ATOM 1996 CFw BOT B 1 5.526 1.418 0.000 0.00 1.00 -ATOM 1997 CFx BOT B 1 5.526 1.418 3.350 0.00 1.00 -ATOM 1998 CFy BOT B 1 5.526 1.418 6.700 0.00 1.00 -ATOM 1999 CFz BOT B 1 4.298 3.545 0.000 0.00 1.00 -ATOM 2000 CG0 BOT B 1 4.298 3.545 3.350 0.00 1.00 -ATOM 2001 CG1 BOT B 1 4.298 3.545 6.700 0.00 1.00 -ATOM 2002 CG2 BOT B 1 3.070 5.672 0.000 0.00 1.00 -ATOM 2003 CG3 BOT B 1 3.070 5.672 3.350 0.00 1.00 -ATOM 2004 CG4 BOT B 1 3.070 5.672 6.700 0.00 1.00 -ATOM 2005 CG5 BOT B 1 1.842 7.799 0.000 0.00 1.00 -ATOM 2006 CG6 BOT B 1 1.842 7.799 3.350 0.00 1.00 -ATOM 2007 CG7 BOT B 1 1.842 7.799 6.700 0.00 1.00 -ATOM 2008 CG8 BOT B 1 0.614 9.926 0.000 0.00 1.00 -ATOM 2009 CG9 BOT B 1 0.614 9.926 3.350 0.00 1.00 -ATOM 2010 CGA BOT B 1 0.614 9.926 6.700 0.00 1.00 -ATOM 2011 CGB BOT B 1 28.858 12.053 0.000 0.00 1.00 -ATOM 2012 CGC BOT B 1 28.858 12.053 3.350 0.00 1.00 -ATOM 2013 CGD BOT B 1 28.858 12.053 6.700 0.00 1.00 -ATOM 2014 CGE BOT B 1 27.630 14.180 0.000 0.00 1.00 -ATOM 2015 CGF BOT B 1 27.630 14.180 3.350 0.00 1.00 -ATOM 2016 CGG BOT B 1 27.630 14.180 6.700 0.00 1.00 -ATOM 2017 O1 H2O C 1 9.365 4.120 23.484 0.00 0.00 -ATOM 2018 H1 H2O C 1 9.624 4.476 22.586 0.00 0.00 -ATOM 2019 H2 H2O C 1 8.486 4.511 23.757 0.00 0.00 -ATOM 2020 O1 H2O C 2 28.902 18.968 20.426 0.00 0.00 -ATOM 2021 H1 H2O C 2 28.879 18.711 21.392 0.00 0.00 -ATOM 2022 H2 H2O C 2 29.626 19.642 20.278 0.00 0.00 -ATOM 2023 O1 H2O C 3 5.846 9.233 19.689 0.00 0.00 -ATOM 2024 H1 H2O C 3 4.866 9.170 19.501 0.00 0.00 -ATOM 2025 H2 H2O C 3 6.021 10.013 20.291 0.00 0.00 -ATOM 2026 O1 H2O C 4 28.764 3.102 20.784 0.00 0.00 -ATOM 2027 H1 H2O C 4 29.606 2.729 20.394 0.00 0.00 -ATOM 2028 H2 H2O C 4 28.490 2.551 21.572 0.00 0.00 -ATOM 2029 O1 H2O C 5 21.639 22.594 20.764 0.00 0.00 -ATOM 2030 H1 H2O C 5 21.871 22.033 21.559 0.00 0.00 -ATOM 2031 H2 H2O C 5 22.451 23.092 20.459 0.00 0.00 -ATOM 2032 O1 H2O C 6 25.137 14.669 23.315 0.00 0.00 -ATOM 2033 H1 H2O C 6 26.105 14.483 23.485 0.00 0.00 -ATOM 2034 H2 H2O C 6 25.015 14.968 22.369 0.00 0.00 -ATOM 2035 O1 H2O C 7 27.365 29.469 22.885 0.00 0.00 -ATOM 2036 H1 H2O C 7 27.794 30.217 23.393 0.00 0.00 -ATOM 2037 H2 H2O C 7 26.373 29.593 22.885 0.00 0.00 -ATOM 2038 O1 H2O C 8 4.827 0.498 23.423 0.00 0.00 -ATOM 2039 H1 H2O C 8 5.765 0.835 23.340 0.00 0.00 -ATOM 2040 H2 H2O C 8 4.836 -0.420 23.818 0.00 0.00 -ATOM 2041 O1 H2O C 9 26.789 10.635 23.684 0.00 0.00 -ATOM 2042 H1 H2O C 9 26.160 11.217 24.200 0.00 0.00 -ATOM 2043 H2 H2O C 9 27.732 10.891 23.898 0.00 0.00 -ATOM 2044 O1 H2O C 10 3.228 25.333 20.072 0.00 0.00 -ATOM 2045 H1 H2O C 10 2.608 26.116 20.126 0.00 0.00 -ATOM 2046 H2 H2O C 10 2.702 24.505 19.875 0.00 0.00 -ATOM 2047 O1 H2O C 11 26.357 8.001 23.755 0.00 0.00 -ATOM 2048 H1 H2O C 11 25.515 7.478 23.628 0.00 0.00 -ATOM 2049 H2 H2O C 11 26.132 8.963 23.911 0.00 0.00 -ATOM 2050 O1 H2O C 12 11.579 24.185 22.992 0.00 0.00 -ATOM 2051 H1 H2O C 12 11.576 24.491 22.040 0.00 0.00 -ATOM 2052 H2 H2O C 12 11.459 24.973 23.595 0.00 0.00 -ATOM 2053 O1 H2O C 13 25.400 26.132 20.697 0.00 0.00 -ATOM 2054 H1 H2O C 13 26.386 26.179 20.535 0.00 0.00 -ATOM 2055 H2 H2O C 13 25.226 26.086 21.681 0.00 0.00 -ATOM 2056 O1 H2O C 14 25.082 21.024 20.342 0.00 0.00 -ATOM 2057 H1 H2O C 14 25.357 20.064 20.303 0.00 0.00 -ATOM 2058 H2 H2O C 14 24.201 21.137 19.883 0.00 0.00 -ATOM 2059 O1 H2O C 15 3.091 6.011 19.745 0.00 0.00 -ATOM 2060 H1 H2O C 15 2.315 5.904 19.123 0.00 0.00 -ATOM 2061 H2 H2O C 15 3.441 5.110 20.000 0.00 0.00 -ATOM 2062 O1 H2O C 16 18.007 20.575 19.941 0.00 0.00 -ATOM 2063 H1 H2O C 16 18.869 20.641 19.437 0.00 0.00 -ATOM 2064 H2 H2O C 16 17.621 21.489 20.062 0.00 0.00 -ATOM 2065 O1 H2O C 17 19.644 24.475 20.069 0.00 0.00 -ATOM 2066 H1 H2O C 17 20.143 25.335 20.178 0.00 0.00 -ATOM 2067 H2 H2O C 17 20.236 23.711 20.329 0.00 0.00 -ATOM 2068 O1 H2O C 18 11.408 11.019 20.422 0.00 0.00 -ATOM 2069 H1 H2O C 18 12.400 10.899 20.441 0.00 0.00 -ATOM 2070 H2 H2O C 18 10.972 10.157 20.163 0.00 0.00 -ATOM 2071 O1 H2O C 19 25.881 3.851 23.549 0.00 0.00 -ATOM 2072 H1 H2O C 19 26.513 4.619 23.446 0.00 0.00 -ATOM 2073 H2 H2O C 19 25.682 3.461 22.650 0.00 0.00 -ATOM 2074 O1 H2O C 20 22.274 19.278 19.894 0.00 0.00 -ATOM 2075 H1 H2O C 20 22.773 19.237 19.029 0.00 0.00 -ATOM 2076 H2 H2O C 20 21.352 18.913 19.764 0.00 0.00 -ATOM 2077 O1 H2O C 21 7.551 8.353 23.318 0.00 0.00 -ATOM 2078 H1 H2O C 21 7.713 8.868 22.476 0.00 0.00 -ATOM 2079 H2 H2O C 21 6.709 8.678 23.750 0.00 0.00 -ATOM 2080 O1 H2O C 22 21.991 25.359 22.990 0.00 0.00 -ATOM 2081 H1 H2O C 22 21.264 24.742 23.289 0.00 0.00 -ATOM 2082 H2 H2O C 22 21.707 25.830 22.154 0.00 0.00 -ATOM 2083 O1 H2O C 23 11.753 24.768 20.056 0.00 0.00 -ATOM 2084 H1 H2O C 23 11.454 25.721 19.996 0.00 0.00 -ATOM 2085 H2 H2O C 23 11.205 24.207 19.436 0.00 0.00 -ATOM 2086 O1 H2O C 24 26.303 10.097 20.913 0.00 0.00 -ATOM 2087 H1 H2O C 24 26.421 10.274 21.890 0.00 0.00 -ATOM 2088 H2 H2O C 24 26.939 9.381 20.626 0.00 0.00 -ATOM 2089 O1 H2O C 25 7.664 12.105 23.447 0.00 0.00 -ATOM 2090 H1 H2O C 25 7.216 11.895 24.316 0.00 0.00 -ATOM 2091 H2 H2O C 25 7.643 13.093 23.291 0.00 0.00 -ATOM 2092 O1 H2O C 26 0.136 11.418 23.495 0.00 0.00 -ATOM 2093 H1 H2O C 26 0.296 11.775 22.575 0.00 0.00 -ATOM 2094 H2 H2O C 26 1.013 11.257 23.948 0.00 0.00 -ATOM 2095 O1 H2O C 27 25.565 6.419 19.684 0.00 0.00 -ATOM 2096 H1 H2O C 27 24.867 7.086 19.420 0.00 0.00 -ATOM 2097 H2 H2O C 27 26.452 6.875 19.751 0.00 0.00 -ATOM 2098 O1 H2O C 28 14.376 14.257 20.866 0.00 0.00 -ATOM 2099 H1 H2O C 28 14.868 13.527 20.391 0.00 0.00 -ATOM 2100 H2 H2O C 28 14.076 13.928 21.761 0.00 0.00 -ATOM 2101 O1 H2O C 29 20.104 18.002 22.972 0.00 0.00 -ATOM 2102 H1 H2O C 29 19.511 18.758 23.251 0.00 0.00 -ATOM 2103 H2 H2O C 29 19.684 17.134 23.236 0.00 0.00 -ATOM 2104 O1 H2O C 30 13.486 3.712 23.471 0.00 0.00 -ATOM 2105 H1 H2O C 30 13.900 3.819 22.567 0.00 0.00 -ATOM 2106 H2 H2O C 30 12.928 4.515 23.680 0.00 0.00 -ATOM 2107 O1 H2O C 31 0.159 5.715 19.873 0.00 0.00 -ATOM 2108 H1 H2O C 31 -0.233 4.858 20.208 0.00 0.00 -ATOM 2109 H2 H2O C 31 0.816 6.064 20.541 0.00 0.00 -ATOM 2110 O1 H2O C 32 10.796 27.297 20.515 0.00 0.00 -ATOM 2111 H1 H2O C 32 10.808 27.838 21.356 0.00 0.00 -ATOM 2112 H2 H2O C 32 10.083 27.645 19.906 0.00 0.00 -ATOM 2113 O1 H2O C 33 19.230 15.650 23.592 0.00 0.00 -ATOM 2114 H1 H2O C 33 18.280 15.361 23.708 0.00 0.00 -ATOM 2115 H2 H2O C 33 19.839 14.968 23.998 0.00 0.00 -ATOM 2116 O1 H2O C 34 4.276 0.989 20.156 0.00 0.00 -ATOM 2117 H1 H2O C 34 5.125 1.130 19.646 0.00 0.00 -ATOM 2118 H2 H2O C 34 4.422 0.295 20.861 0.00 0.00 -ATOM 2119 O1 H2O C 35 18.557 11.596 19.898 0.00 0.00 -ATOM 2120 H1 H2O C 35 18.569 12.516 20.292 0.00 0.00 -ATOM 2121 H2 H2O C 35 19.488 11.325 19.656 0.00 0.00 -ATOM 2122 O1 H2O C 36 18.314 0.211 20.216 0.00 0.00 -ATOM 2123 H1 H2O C 36 17.533 -0.406 20.125 0.00 0.00 -ATOM 2124 H2 H2O C 36 17.991 1.157 20.239 0.00 0.00 -ATOM 2125 O1 H2O C 37 2.153 0.698 23.351 0.00 0.00 -ATOM 2126 H1 H2O C 37 3.146 0.612 23.437 0.00 0.00 -ATOM 2127 H2 H2O C 37 1.746 -0.211 23.258 0.00 0.00 -ATOM 2128 O1 H2O C 38 5.421 20.230 23.306 0.00 0.00 -ATOM 2129 H1 H2O C 38 6.391 20.050 23.142 0.00 0.00 -ATOM 2130 H2 H2O C 38 5.296 21.194 23.540 0.00 0.00 -ATOM 2131 O1 H2O C 39 13.905 3.145 20.549 0.00 0.00 -ATOM 2132 H1 H2O C 39 13.828 2.153 20.447 0.00 0.00 -ATOM 2133 H2 H2O C 39 13.070 3.580 20.213 0.00 0.00 -ATOM 2134 O1 H2O C 40 12.919 6.716 20.454 0.00 0.00 -ATOM 2135 H1 H2O C 40 12.918 6.650 21.451 0.00 0.00 -ATOM 2136 H2 H2O C 40 12.523 5.884 20.064 0.00 0.00 -ATOM 2137 O1 H2O C 41 13.829 18.979 23.238 0.00 0.00 -ATOM 2138 H1 H2O C 41 14.182 19.867 23.531 0.00 0.00 -ATOM 2139 H2 H2O C 41 14.402 18.251 23.615 0.00 0.00 -ATOM 2140 O1 H2O C 42 10.803 14.133 23.010 0.00 0.00 -ATOM 2141 H1 H2O C 42 11.788 14.044 22.857 0.00 0.00 -ATOM 2142 H2 H2O C 42 10.437 13.263 23.339 0.00 0.00 -ATOM 2143 O1 H2O C 43 23.582 2.252 23.559 0.00 0.00 -ATOM 2144 H1 H2O C 43 24.353 2.845 23.791 0.00 0.00 -ATOM 2145 H2 H2O C 43 23.908 1.316 23.430 0.00 0.00 -ATOM 2146 O1 H2O C 44 21.540 15.355 20.055 0.00 0.00 -ATOM 2147 H1 H2O C 44 20.755 14.938 20.514 0.00 0.00 -ATOM 2148 H2 H2O C 44 21.219 16.044 19.405 0.00 0.00 -ATOM 2149 O1 H2O C 45 10.661 8.420 19.681 0.00 0.00 -ATOM 2150 H1 H2O C 45 10.400 7.822 18.923 0.00 0.00 -ATOM 2151 H2 H2O C 45 11.505 8.082 20.097 0.00 0.00 -ATOM 2152 O1 H2O C 46 29.521 15.752 22.780 0.00 0.00 -ATOM 2153 H1 H2O C 46 29.460 16.747 22.695 0.00 0.00 -ATOM 2154 H2 H2O C 46 28.750 15.416 23.320 0.00 0.00 -ATOM 2155 O1 H2O C 47 27.489 12.577 20.732 0.00 0.00 -ATOM 2156 H1 H2O C 47 26.935 11.747 20.802 0.00 0.00 -ATOM 2157 H2 H2O C 47 28.378 12.351 20.334 0.00 0.00 -ATOM 2158 O1 H2O C 48 4.256 4.931 23.417 0.00 0.00 -ATOM 2159 H1 H2O C 48 5.252 4.903 23.506 0.00 0.00 -ATOM 2160 H2 H2O C 48 3.968 5.862 23.193 0.00 0.00 -ATOM 2161 O1 H2O C 49 11.291 4.008 20.003 0.00 0.00 -ATOM 2162 H1 H2O C 49 10.828 4.769 20.458 0.00 0.00 -ATOM 2163 H2 H2O C 49 10.627 3.288 19.801 0.00 0.00 -ATOM 2164 O1 H2O C 50 0.497 28.343 22.811 0.00 0.00 -ATOM 2165 H1 H2O C 50 0.781 27.416 23.057 0.00 0.00 -ATOM 2166 H2 H2O C 50 -0.462 28.474 23.061 0.00 0.00 -ATOM 2167 O1 H2O C 51 27.822 26.142 23.560 0.00 0.00 -ATOM 2168 H1 H2O C 51 27.333 25.322 23.859 0.00 0.00 -ATOM 2169 H2 H2O C 51 27.165 26.872 23.374 0.00 0.00 -ATOM 2170 O1 H2O C 52 7.479 6.833 20.063 0.00 0.00 -ATOM 2171 H1 H2O C 52 7.078 6.002 19.678 0.00 0.00 -ATOM 2172 H2 H2O C 52 6.991 7.632 19.714 0.00 0.00 -ATOM 2173 O1 H2O C 53 1.478 3.650 23.588 0.00 0.00 -ATOM 2174 H1 H2O C 53 2.305 4.175 23.791 0.00 0.00 -ATOM 2175 H2 H2O C 53 1.690 2.673 23.607 0.00 0.00 -ATOM 2176 O1 H2O C 54 10.441 11.161 23.285 0.00 0.00 -ATOM 2177 H1 H2O C 54 9.476 11.413 23.366 0.00 0.00 -ATOM 2178 H2 H2O C 54 10.664 11.001 22.324 0.00 0.00 -ATOM 2179 O1 H2O C 55 22.005 8.279 23.603 0.00 0.00 -ATOM 2180 H1 H2O C 55 22.595 7.610 23.150 0.00 0.00 -ATOM 2181 H2 H2O C 55 22.566 8.906 24.143 0.00 0.00 -ATOM 2182 O1 H2O C 56 0.678 21.110 22.965 0.00 0.00 -ATOM 2183 H1 H2O C 56 -0.117 21.627 23.281 0.00 0.00 -ATOM 2184 H2 H2O C 56 0.845 21.312 22.000 0.00 0.00 -ATOM 2185 O1 H2O C 57 10.619 13.708 20.132 0.00 0.00 -ATOM 2186 H1 H2O C 57 10.870 12.767 19.905 0.00 0.00 -ATOM 2187 H2 H2O C 57 10.574 13.811 21.126 0.00 0.00 -ATOM 2188 O1 H2O C 58 6.917 5.355 22.784 0.00 0.00 -ATOM 2189 H1 H2O C 58 6.951 6.340 22.953 0.00 0.00 -ATOM 2190 H2 H2O C 58 6.837 5.188 21.801 0.00 0.00 -ATOM 2191 O1 H2O C 59 2.836 16.187 23.610 0.00 0.00 -ATOM 2192 H1 H2O C 59 2.942 17.145 23.874 0.00 0.00 -ATOM 2193 H2 H2O C 59 1.863 15.956 23.576 0.00 0.00 -ATOM 2194 O1 H2O C 60 10.335 1.698 23.334 0.00 0.00 -ATOM 2195 H1 H2O C 60 11.219 1.672 23.800 0.00 0.00 -ATOM 2196 H2 H2O C 60 9.905 2.588 23.484 0.00 0.00 -ATOM 2197 O1 H2O C 61 16.061 6.814 23.095 0.00 0.00 -ATOM 2198 H1 H2O C 61 15.715 6.350 23.910 0.00 0.00 -ATOM 2199 H2 H2O C 61 15.950 6.218 22.300 0.00 0.00 -ATOM 2200 O1 H2O C 62 13.119 11.112 23.762 0.00 0.00 -ATOM 2201 H1 H2O C 62 12.131 11.262 23.747 0.00 0.00 -ATOM 2202 H2 H2O C 62 13.323 10.198 23.411 0.00 0.00 -ATOM 2203 O1 H2O C 63 6.495 4.182 20.258 0.00 0.00 -ATOM 2204 H1 H2O C 63 5.522 4.198 20.492 0.00 0.00 -ATOM 2205 H2 H2O C 63 6.796 3.234 20.151 0.00 0.00 -ATOM 2206 O1 H2O C 64 3.954 19.253 20.113 0.00 0.00 -ATOM 2207 H1 H2O C 64 4.587 19.228 19.340 0.00 0.00 -ATOM 2208 H2 H2O C 64 4.266 18.620 20.821 0.00 0.00 -ATOM 2209 O1 H2O C 65 5.320 17.118 21.566 0.00 0.00 -ATOM 2210 H1 H2O C 65 5.478 16.714 22.467 0.00 0.00 -ATOM 2211 H2 H2O C 65 6.183 17.162 21.064 0.00 0.00 -ATOM 2212 O1 H2O C 66 27.826 16.541 19.533 0.00 0.00 -ATOM 2213 H1 H2O C 66 28.175 17.478 19.519 0.00 0.00 -ATOM 2214 H2 H2O C 66 28.574 15.905 19.343 0.00 0.00 -ATOM 2215 O1 H2O C 67 7.173 14.994 23.100 0.00 0.00 -ATOM 2216 H1 H2O C 67 7.506 14.739 22.192 0.00 0.00 -ATOM 2217 H2 H2O C 67 7.510 15.906 23.335 0.00 0.00 -ATOM 2218 O1 H2O C 68 28.010 5.853 23.283 0.00 0.00 -ATOM 2219 H1 H2O C 68 27.548 6.703 23.537 0.00 0.00 -ATOM 2220 H2 H2O C 68 28.970 6.045 23.077 0.00 0.00 -ATOM 2221 O1 H2O C 69 23.439 22.993 23.548 0.00 0.00 -ATOM 2222 H1 H2O C 69 22.715 22.383 23.872 0.00 0.00 -ATOM 2223 H2 H2O C 69 23.057 23.900 23.372 0.00 0.00 -ATOM 2224 O1 H2O C 70 24.298 17.325 22.425 0.00 0.00 -ATOM 2225 H1 H2O C 70 23.612 16.612 22.282 0.00 0.00 -ATOM 2226 H2 H2O C 70 23.843 18.184 22.659 0.00 0.00 -ATOM 2227 O1 H2O C 71 27.679 13.610 23.511 0.00 0.00 -ATOM 2228 H1 H2O C 71 27.691 13.582 22.512 0.00 0.00 -ATOM 2229 H2 H2O C 71 28.452 13.086 23.869 0.00 0.00 -ATOM 2230 O1 H2O C 72 19.483 6.070 23.443 0.00 0.00 -ATOM 2231 H1 H2O C 72 19.548 6.887 24.015 0.00 0.00 -ATOM 2232 H2 H2O C 72 20.355 5.581 23.460 0.00 0.00 -ATOM 2233 O1 H2O C 73 6.221 11.360 21.139 0.00 0.00 -ATOM 2234 H1 H2O C 73 7.054 11.386 21.691 0.00 0.00 -ATOM 2235 H2 H2O C 73 6.109 12.232 20.662 0.00 0.00 -ATOM 2236 O1 H2O C 74 15.467 8.121 19.598 0.00 0.00 -ATOM 2237 H1 H2O C 74 14.692 7.775 20.126 0.00 0.00 -ATOM 2238 H2 H2O C 74 16.014 7.353 19.264 0.00 0.00 -ATOM 2239 O1 H2O C 75 19.850 18.124 20.013 0.00 0.00 -ATOM 2240 H1 H2O C 75 19.860 18.112 21.013 0.00 0.00 -ATOM 2241 H2 H2O C 75 18.925 17.929 19.686 0.00 0.00 -ATOM 2242 O1 H2O C 76 23.550 13.219 20.413 0.00 0.00 -ATOM 2243 H1 H2O C 76 22.624 13.494 20.155 0.00 0.00 -ATOM 2244 H2 H2O C 76 24.196 13.937 20.153 0.00 0.00 -ATOM 2245 O1 H2O C 77 16.325 21.712 23.057 0.00 0.00 -ATOM 2246 H1 H2O C 77 16.611 22.669 23.074 0.00 0.00 -ATOM 2247 H2 H2O C 77 15.339 21.656 23.218 0.00 0.00 -ATOM 2248 O1 H2O C 78 1.360 21.000 20.219 0.00 0.00 -ATOM 2249 H1 H2O C 78 2.080 20.306 20.234 0.00 0.00 -ATOM 2250 H2 H2O C 78 1.673 21.794 19.698 0.00 0.00 -ATOM 2251 O1 H2O C 79 20.554 3.465 20.406 0.00 0.00 -ATOM 2252 H1 H2O C 79 21.231 4.111 20.053 0.00 0.00 -ATOM 2253 H2 H2O C 79 20.874 2.530 20.253 0.00 0.00 -ATOM 2254 O1 H2O C 80 5.897 25.540 19.676 0.00 0.00 -ATOM 2255 H1 H2O C 80 4.943 25.383 19.931 0.00 0.00 -ATOM 2256 H2 H2O C 80 6.187 24.843 19.021 0.00 0.00 -ATOM 2257 O1 H2O C 81 11.120 19.462 22.683 0.00 0.00 -ATOM 2258 H1 H2O C 81 12.006 19.221 23.079 0.00 0.00 -ATOM 2259 H2 H2O C 81 10.604 18.628 22.487 0.00 0.00 -ATOM 2260 O1 H2O C 82 29.015 18.454 22.970 0.00 0.00 -ATOM 2261 H1 H2O C 82 28.095 18.588 23.338 0.00 0.00 -ATOM 2262 H2 H2O C 82 29.646 19.093 23.410 0.00 0.00 -ATOM 2263 O1 H2O C 83 18.176 27.302 23.442 0.00 0.00 -ATOM 2264 H1 H2O C 83 18.929 27.865 23.101 0.00 0.00 -ATOM 2265 H2 H2O C 83 18.436 26.337 23.400 0.00 0.00 -ATOM 2266 O1 H2O C 84 5.282 22.921 23.354 0.00 0.00 -ATOM 2267 H1 H2O C 84 4.707 23.737 23.305 0.00 0.00 -ATOM 2268 H2 H2O C 84 6.231 23.191 23.519 0.00 0.00 -ATOM 2269 O1 H2O C 85 0.841 25.862 23.095 0.00 0.00 -ATOM 2270 H1 H2O C 85 1.072 24.955 22.743 0.00 0.00 -ATOM 2271 H2 H2O C 85 -0.147 25.926 23.233 0.00 0.00 -ATOM 2272 O1 H2O C 86 28.524 29.559 20.118 0.00 0.00 -ATOM 2273 H1 H2O C 86 29.493 29.795 20.186 0.00 0.00 -ATOM 2274 H2 H2O C 86 28.084 29.697 21.005 0.00 0.00 -ATOM 2275 O1 H2O C 87 17.117 23.064 19.986 0.00 0.00 -ATOM 2276 H1 H2O C 87 17.981 23.559 20.074 0.00 0.00 -ATOM 2277 H2 H2O C 87 16.362 23.717 19.939 0.00 0.00 -ATOM 2278 O1 H2O C 88 6.301 28.527 20.893 0.00 0.00 -ATOM 2279 H1 H2O C 88 6.205 27.761 20.258 0.00 0.00 -ATOM 2280 H2 H2O C 88 6.083 28.222 21.820 0.00 0.00 -ATOM 2281 O1 H2O C 89 15.939 25.901 21.045 0.00 0.00 -ATOM 2282 H1 H2O C 89 15.161 25.297 20.873 0.00 0.00 -ATOM 2283 H2 H2O C 89 16.014 26.567 20.303 0.00 0.00 -ATOM 2284 O1 H2O C 90 6.027 27.773 23.387 0.00 0.00 -ATOM 2285 H1 H2O C 90 6.870 27.300 23.643 0.00 0.00 -ATOM 2286 H2 H2O C 90 5.310 27.100 23.202 0.00 0.00 -ATOM 2287 O1 H2O C 91 27.537 21.937 20.536 0.00 0.00 -ATOM 2288 H1 H2O C 91 28.067 21.328 19.946 0.00 0.00 -ATOM 2289 H2 H2O C 91 26.645 21.525 20.725 0.00 0.00 -ATOM 2290 O1 H2O C 92 20.574 12.819 23.202 0.00 0.00 -ATOM 2291 H1 H2O C 92 21.549 12.787 23.421 0.00 0.00 -ATOM 2292 H2 H2O C 92 20.196 11.893 23.231 0.00 0.00 -ATOM 2293 O1 H2O C 93 22.858 5.258 20.245 0.00 0.00 -ATOM 2294 H1 H2O C 93 22.829 6.253 20.144 0.00 0.00 -ATOM 2295 H2 H2O C 93 23.808 4.947 20.201 0.00 0.00 -ATOM 2296 O1 H2O C 94 25.314 20.802 23.575 0.00 0.00 -ATOM 2297 H1 H2O C 94 24.751 21.466 24.068 0.00 0.00 -ATOM 2298 H2 H2O C 94 25.035 20.778 22.614 0.00 0.00 -ATOM 2299 O1 H2O C 95 14.212 23.604 20.447 0.00 0.00 -ATOM 2300 H1 H2O C 95 14.053 22.696 20.059 0.00 0.00 -ATOM 2301 H2 H2O C 95 13.350 24.111 20.471 0.00 0.00 -ATOM 2302 O1 H2O C 96 15.342 16.834 23.190 0.00 0.00 -ATOM 2303 H1 H2O C 96 15.996 16.847 22.433 0.00 0.00 -ATOM 2304 H2 H2O C 96 15.310 15.917 23.587 0.00 0.00 -ATOM 2305 O1 H2O C 97 8.654 29.207 23.237 0.00 0.00 -ATOM 2306 H1 H2O C 97 9.249 29.989 23.419 0.00 0.00 -ATOM 2307 H2 H2O C 97 7.701 29.508 23.229 0.00 0.00 -ATOM 2308 O1 H2O C 98 8.344 20.285 20.107 0.00 0.00 -ATOM 2309 H1 H2O C 98 9.191 20.753 19.857 0.00 0.00 -ATOM 2310 H2 H2O C 98 7.653 20.961 20.363 0.00 0.00 -ATOM 2311 O1 H2O C 99 24.234 26.680 23.685 0.00 0.00 -ATOM 2312 H1 H2O C 99 23.359 26.254 23.452 0.00 0.00 -ATOM 2313 H2 H2O C 99 24.901 25.970 23.910 0.00 0.00 -ATOM 2314 O1 H2O C 100 3.017 19.038 23.521 0.00 0.00 -ATOM 2315 H1 H2O C 100 2.412 19.750 23.164 0.00 0.00 -ATOM 2316 H2 H2O C 100 3.942 19.405 23.619 0.00 0.00 -ATOM 2317 O1 H2O C 101 1.206 6.191 22.438 0.00 0.00 -ATOM 2318 H1 H2O C 101 2.010 6.754 22.629 0.00 0.00 -ATOM 2319 H2 H2O C 101 1.384 5.248 22.720 0.00 0.00 -ATOM 2320 O1 H2O C 102 9.650 5.880 21.246 0.00 0.00 -ATOM 2321 H1 H2O C 102 8.840 6.326 20.865 0.00 0.00 -ATOM 2322 H2 H2O C 102 10.062 6.473 21.937 0.00 0.00 -ATOM 2323 O1 H2O C 103 29.378 24.111 20.024 0.00 0.00 -ATOM 2324 H1 H2O C 103 28.734 24.845 19.808 0.00 0.00 -ATOM 2325 H2 H2O C 103 28.872 23.294 20.298 0.00 0.00 -ATOM 2326 O1 H2O C 104 10.363 16.983 21.603 0.00 0.00 -ATOM 2327 H1 H2O C 104 10.351 16.222 22.251 0.00 0.00 -ATOM 2328 H2 H2O C 104 11.138 16.878 20.980 0.00 0.00 -ATOM 2329 O1 H2O C 105 8.194 17.298 23.756 0.00 0.00 -ATOM 2330 H1 H2O C 105 8.081 18.258 23.501 0.00 0.00 -ATOM 2331 H2 H2O C 105 8.501 17.238 24.706 0.00 0.00 -ATOM 2332 O1 H2O C 106 22.626 19.334 22.607 0.00 0.00 -ATOM 2333 H1 H2O C 106 22.759 19.373 21.616 0.00 0.00 -ATOM 2334 H2 H2O C 106 21.738 18.920 22.807 0.00 0.00 -ATOM 2335 O1 H2O C 107 13.814 8.766 22.479 0.00 0.00 -ATOM 2336 H1 H2O C 107 14.571 8.126 22.610 0.00 0.00 -ATOM 2337 H2 H2O C 107 13.907 9.214 21.589 0.00 0.00 -ATOM 2338 O1 H2O C 108 27.921 7.732 20.632 0.00 0.00 -ATOM 2339 H1 H2O C 108 28.574 7.260 20.039 0.00 0.00 -ATOM 2340 H2 H2O C 108 28.247 7.701 21.577 0.00 0.00 -ATOM 2341 O1 H2O C 109 3.992 26.204 22.575 0.00 0.00 -ATOM 2342 H1 H2O C 109 3.954 25.894 21.625 0.00 0.00 -ATOM 2343 H2 H2O C 109 3.063 26.296 22.934 0.00 0.00 -ATOM 2344 O1 H2O C 110 0.721 9.720 19.939 0.00 0.00 -ATOM 2345 H1 H2O C 110 -0.117 9.417 19.485 0.00 0.00 -ATOM 2346 H2 H2O C 110 0.962 10.635 19.617 0.00 0.00 -ATOM 2347 O1 H2O C 111 14.969 26.950 23.425 0.00 0.00 -ATOM 2348 H1 H2O C 111 15.531 26.532 22.711 0.00 0.00 -ATOM 2349 H2 H2O C 111 15.396 27.801 23.731 0.00 0.00 -ATOM 2350 O1 H2O C 112 8.159 19.959 23.052 0.00 0.00 -ATOM 2351 H1 H2O C 112 8.264 19.907 22.059 0.00 0.00 -ATOM 2352 H2 H2O C 112 8.889 20.525 23.435 0.00 0.00 -ATOM 2353 O1 H2O C 113 12.444 15.889 19.865 0.00 0.00 -ATOM 2354 H1 H2O C 113 13.317 15.451 20.080 0.00 0.00 -ATOM 2355 H2 H2O C 113 11.718 15.200 19.862 0.00 0.00 -ATOM 2356 O1 H2O C 114 18.382 1.195 23.522 0.00 0.00 -ATOM 2357 H1 H2O C 114 18.382 1.610 22.613 0.00 0.00 -ATOM 2358 H2 H2O C 114 19.286 1.298 23.937 0.00 0.00 -ATOM 2359 O1 H2O C 115 23.633 10.373 20.466 0.00 0.00 -ATOM 2360 H1 H2O C 115 24.566 10.088 20.685 0.00 0.00 -ATOM 2361 H2 H2O C 115 23.625 11.351 20.255 0.00 0.00 -ATOM 2362 O1 H2O C 116 10.181 8.076 23.182 0.00 0.00 -ATOM 2363 H1 H2O C 116 9.207 8.225 23.354 0.00 0.00 -ATOM 2364 H2 H2O C 116 10.714 8.774 23.661 0.00 0.00 -ATOM 2365 O1 H2O C 117 19.853 28.698 22.061 0.00 0.00 -ATOM 2366 H1 H2O C 117 19.155 29.035 21.430 0.00 0.00 -ATOM 2367 H2 H2O C 117 20.206 29.459 22.606 0.00 0.00 -ATOM 2368 O1 H2O C 118 24.166 6.531 22.698 0.00 0.00 -ATOM 2369 H1 H2O C 118 24.727 6.266 21.913 0.00 0.00 -ATOM 2370 H2 H2O C 118 23.601 5.756 22.981 0.00 0.00 -ATOM 2371 O1 H2O C 119 23.675 28.629 20.415 0.00 0.00 -ATOM 2372 H1 H2O C 119 24.187 29.249 19.820 0.00 0.00 -ATOM 2373 H2 H2O C 119 24.246 27.841 20.645 0.00 0.00 -ATOM 2374 O1 H2O C 120 25.424 18.430 20.126 0.00 0.00 -ATOM 2375 H1 H2O C 120 25.163 17.958 20.969 0.00 0.00 -ATOM 2376 H2 H2O C 120 25.853 17.779 19.500 0.00 0.00 -ATOM 2377 O1 H2O C 121 3.179 8.746 20.107 0.00 0.00 -ATOM 2378 H1 H2O C 121 3.283 7.759 19.991 0.00 0.00 -ATOM 2379 H2 H2O C 121 2.227 9.003 19.940 0.00 0.00 -ATOM 2380 O1 H2O C 122 23.900 10.140 23.491 0.00 0.00 -ATOM 2381 H1 H2O C 122 23.685 9.754 22.594 0.00 0.00 -ATOM 2382 H2 H2O C 122 23.824 11.136 23.452 0.00 0.00 -ATOM 2383 O1 H2O C 123 21.103 26.626 20.603 0.00 0.00 -ATOM 2384 H1 H2O C 123 22.001 26.895 20.254 0.00 0.00 -ATOM 2385 H2 H2O C 123 20.658 27.417 21.023 0.00 0.00 -ATOM 2386 O1 H2O C 124 5.327 10.191 23.362 0.00 0.00 -ATOM 2387 H1 H2O C 124 5.678 10.271 22.430 0.00 0.00 -ATOM 2388 H2 H2O C 124 4.574 10.836 23.492 0.00 0.00 -ATOM 2389 O1 H2O C 125 16.697 14.056 23.424 0.00 0.00 -ATOM 2390 H1 H2O C 125 17.100 14.098 22.510 0.00 0.00 -ATOM 2391 H2 H2O C 125 16.926 13.180 23.849 0.00 0.00 -ATOM 2392 O1 H2O C 126 9.409 23.273 19.905 0.00 0.00 -ATOM 2393 H1 H2O C 126 10.102 22.595 20.148 0.00 0.00 -ATOM 2394 H2 H2O C 126 8.510 22.956 20.209 0.00 0.00 -ATOM 2395 O1 H2O C 127 14.056 10.604 20.146 0.00 0.00 -ATOM 2396 H1 H2O C 127 14.745 11.173 20.594 0.00 0.00 -ATOM 2397 H2 H2O C 127 14.499 10.007 19.477 0.00 0.00 -ATOM 2398 O1 H2O C 128 9.951 1.610 20.131 0.00 0.00 -ATOM 2399 H1 H2O C 128 9.936 1.588 21.130 0.00 0.00 -ATOM 2400 H2 H2O C 128 10.747 1.104 19.798 0.00 0.00 -ATOM 2401 O1 H2O C 129 5.317 13.826 20.155 0.00 0.00 -ATOM 2402 H1 H2O C 129 6.297 14.025 20.187 0.00 0.00 -ATOM 2403 H2 H2O C 129 4.803 14.684 20.130 0.00 0.00 -ATOM 2404 O1 H2O C 130 21.149 21.397 23.482 0.00 0.00 -ATOM 2405 H1 H2O C 130 21.818 20.658 23.408 0.00 0.00 -ATOM 2406 H2 H2O C 130 20.242 21.052 23.240 0.00 0.00 -ATOM 2407 O1 H2O C 131 4.728 14.243 23.489 0.00 0.00 -ATOM 2408 H1 H2O C 131 5.634 14.642 23.349 0.00 0.00 -ATOM 2409 H2 H2O C 131 4.052 14.974 23.581 0.00 0.00 -ATOM 2410 O1 H2O C 132 25.759 0.645 19.629 0.00 0.00 -ATOM 2411 H1 H2O C 132 25.584 1.627 19.563 0.00 0.00 -ATOM 2412 H2 H2O C 132 26.738 0.474 19.519 0.00 0.00 -ATOM 2413 O1 H2O C 133 0.547 15.126 20.074 0.00 0.00 -ATOM 2414 H1 H2O C 133 0.235 15.166 21.023 0.00 0.00 -ATOM 2415 H2 H2O C 133 1.434 15.580 19.995 0.00 0.00 -ATOM 2416 O1 H2O C 134 11.676 28.747 22.935 0.00 0.00 -ATOM 2417 H1 H2O C 134 12.474 29.347 23.003 0.00 0.00 -ATOM 2418 H2 H2O C 134 11.409 28.443 23.849 0.00 0.00 -ATOM 2419 O1 H2O C 135 21.043 10.634 20.202 0.00 0.00 -ATOM 2420 H1 H2O C 135 20.658 10.431 21.102 0.00 0.00 -ATOM 2421 H2 H2O C 135 22.041 10.593 20.249 0.00 0.00 -ATOM 2422 O1 H2O C 136 18.054 8.929 20.111 0.00 0.00 -ATOM 2423 H1 H2O C 136 18.358 9.880 20.063 0.00 0.00 -ATOM 2424 H2 H2O C 136 17.137 8.852 19.718 0.00 0.00 -ATOM 2425 O1 H2O C 137 3.728 3.657 20.892 0.00 0.00 -ATOM 2426 H1 H2O C 137 3.637 3.733 21.885 0.00 0.00 -ATOM 2427 H2 H2O C 137 3.853 2.697 20.641 0.00 0.00 -ATOM 2428 O1 H2O C 138 7.799 14.548 20.350 0.00 0.00 -ATOM 2429 H1 H2O C 138 7.685 15.536 20.247 0.00 0.00 -ATOM 2430 H2 H2O C 138 8.636 14.258 19.886 0.00 0.00 -ATOM 2431 O1 H2O C 139 6.908 2.238 22.960 0.00 0.00 -ATOM 2432 H1 H2O C 139 6.784 1.960 22.008 0.00 0.00 -ATOM 2433 H2 H2O C 139 7.307 3.154 22.991 0.00 0.00 -ATOM 2434 O1 H2O C 140 3.133 11.962 23.411 0.00 0.00 -ATOM 2435 H1 H2O C 140 2.879 11.908 22.446 0.00 0.00 -ATOM 2436 H2 H2O C 140 3.703 12.770 23.561 0.00 0.00 -ATOM 2437 O1 H2O C 141 21.168 0.876 19.993 0.00 0.00 -ATOM 2438 H1 H2O C 141 20.350 0.307 19.911 0.00 0.00 -ATOM 2439 H2 H2O C 141 21.983 0.300 19.937 0.00 0.00 -ATOM 2440 O1 H2O C 142 25.703 24.504 23.349 0.00 0.00 -ATOM 2441 H1 H2O C 142 26.482 23.915 23.134 0.00 0.00 -ATOM 2442 H2 H2O C 142 24.865 23.959 23.360 0.00 0.00 -ATOM 2443 O1 H2O C 143 0.772 12.388 20.002 0.00 0.00 -ATOM 2444 H1 H2O C 143 0.808 13.347 19.722 0.00 0.00 -ATOM 2445 H2 H2O C 143 1.674 12.102 20.327 0.00 0.00 -ATOM 2446 O1 H2O C 144 7.113 22.679 20.900 0.00 0.00 -ATOM 2447 H1 H2O C 144 7.484 23.274 21.612 0.00 0.00 -ATOM 2448 H2 H2O C 144 6.135 22.541 21.057 0.00 0.00 -ATOM 2449 O1 H2O C 145 3.161 11.755 20.874 0.00 0.00 -ATOM 2450 H1 H2O C 145 3.926 12.358 20.644 0.00 0.00 -ATOM 2451 H2 H2O C 145 3.366 10.826 20.567 0.00 0.00 -ATOM 2452 O1 H2O C 146 7.155 1.526 20.310 0.00 0.00 -ATOM 2453 H1 H2O C 146 7.121 0.532 20.415 0.00 0.00 -ATOM 2454 H2 H2O C 146 8.068 1.799 20.005 0.00 0.00 -ATOM 2455 O1 H2O C 147 28.355 2.155 23.681 0.00 0.00 -ATOM 2456 H1 H2O C 147 29.202 2.557 24.029 0.00 0.00 -ATOM 2457 H2 H2O C 147 27.671 2.873 23.558 0.00 0.00 -ATOM 2458 O1 H2O C 148 8.418 9.751 20.901 0.00 0.00 -ATOM 2459 H1 H2O C 148 7.730 9.919 20.195 0.00 0.00 -ATOM 2460 H2 H2O C 148 9.171 9.220 20.513 0.00 0.00 -ATOM 2461 O1 H2O C 149 28.318 26.788 20.566 0.00 0.00 -ATOM 2462 H1 H2O C 149 28.348 27.723 20.211 0.00 0.00 -ATOM 2463 H2 H2O C 149 29.199 26.560 20.980 0.00 0.00 -ATOM 2464 O1 H2O C 150 23.005 7.816 20.031 0.00 0.00 -ATOM 2465 H1 H2O C 150 22.067 7.802 20.377 0.00 0.00 -ATOM 2466 H2 H2O C 150 23.424 8.699 20.242 0.00 0.00 -ATOM 2467 O1 H2O C 151 21.691 4.385 22.820 0.00 0.00 -ATOM 2468 H1 H2O C 151 22.057 3.540 23.210 0.00 0.00 -ATOM 2469 H2 H2O C 151 21.402 4.219 21.877 0.00 0.00 -ATOM 2470 O1 H2O C 152 10.182 21.908 23.499 0.00 0.00 -ATOM 2471 H1 H2O C 152 10.784 21.136 23.297 0.00 0.00 -ATOM 2472 H2 H2O C 152 10.655 22.764 23.288 0.00 0.00 -ATOM 2473 O1 H2O C 153 24.460 29.355 23.003 0.00 0.00 -ATOM 2474 H1 H2O C 153 24.194 29.262 22.043 0.00 0.00 -ATOM 2475 H2 H2O C 153 24.419 28.461 23.448 0.00 0.00 -ATOM 2476 O1 H2O C 154 2.493 23.593 23.183 0.00 0.00 -ATOM 2477 H1 H2O C 154 2.605 24.033 24.074 0.00 0.00 -ATOM 2478 H2 H2O C 154 2.039 22.710 23.301 0.00 0.00 -ATOM 2479 O1 H2O C 155 24.045 23.706 20.028 0.00 0.00 -ATOM 2480 H1 H2O C 155 24.378 24.647 20.084 0.00 0.00 -ATOM 2481 H2 H2O C 155 24.797 23.102 19.763 0.00 0.00 -ATOM 2482 O1 H2O C 156 26.601 18.418 23.724 0.00 0.00 -ATOM 2483 H1 H2O C 156 26.063 19.257 23.803 0.00 0.00 -ATOM 2484 H2 H2O C 156 25.999 17.659 23.475 0.00 0.00 -ATOM 2485 O1 H2O C 157 8.608 26.633 23.498 0.00 0.00 -ATOM 2486 H1 H2O C 157 8.584 26.350 22.539 0.00 0.00 -ATOM 2487 H2 H2O C 157 8.657 27.630 23.551 0.00 0.00 -ATOM 2488 O1 H2O C 158 1.646 27.670 20.264 0.00 0.00 -ATOM 2489 H1 H2O C 158 1.644 28.285 19.475 0.00 0.00 -ATOM 2490 H2 H2O C 158 1.298 28.155 21.066 0.00 0.00 -ATOM 2491 O1 H2O C 159 14.324 18.046 20.501 0.00 0.00 -ATOM 2492 H1 H2O C 159 14.019 18.312 21.416 0.00 0.00 -ATOM 2493 H2 H2O C 159 13.657 17.419 20.098 0.00 0.00 -ATOM 2494 O1 H2O C 160 16.222 11.386 23.820 0.00 0.00 -ATOM 2495 H1 H2O C 160 15.345 11.049 24.163 0.00 0.00 -ATOM 2496 H2 H2O C 160 16.919 10.678 23.935 0.00 0.00 -ATOM 2497 O1 H2O C 161 11.227 21.322 20.695 0.00 0.00 -ATOM 2498 H1 H2O C 161 11.023 20.560 21.310 0.00 0.00 -ATOM 2499 H2 H2O C 161 12.075 21.132 20.199 0.00 0.00 -ATOM 2500 O1 H2O C 162 4.358 22.094 20.790 0.00 0.00 -ATOM 2501 H1 H2O C 162 4.442 22.257 21.773 0.00 0.00 -ATOM 2502 H2 H2O C 162 4.234 21.116 20.623 0.00 0.00 -ATOM 2503 O1 H2O C 163 23.394 12.745 23.230 0.00 0.00 -ATOM 2504 H1 H2O C 163 24.119 13.402 23.437 0.00 0.00 -ATOM 2505 H2 H2O C 163 23.080 12.880 22.290 0.00 0.00 -ATOM 2506 O1 H2O C 164 7.805 23.588 23.713 0.00 0.00 -ATOM 2507 H1 H2O C 164 8.120 24.535 23.652 0.00 0.00 -ATOM 2508 H2 H2O C 164 8.594 22.978 23.778 0.00 0.00 -ATOM 2509 O1 H2O C 165 21.406 0.970 22.641 0.00 0.00 -ATOM 2510 H1 H2O C 165 21.492 0.947 21.645 0.00 0.00 -ATOM 2511 H2 H2O C 165 22.194 1.447 23.032 0.00 0.00 -ATOM 2512 O1 H2O C 166 13.614 13.911 23.460 0.00 0.00 -ATOM 2513 H1 H2O C 166 13.508 12.936 23.655 0.00 0.00 -ATOM 2514 H2 H2O C 166 14.099 14.352 24.216 0.00 0.00 -ATOM 2515 O1 H2O C 167 20.487 7.299 20.825 0.00 0.00 -ATOM 2516 H1 H2O C 167 19.732 7.798 20.401 0.00 0.00 -ATOM 2517 H2 H2O C 167 20.259 7.094 21.777 0.00 0.00 -ATOM 2518 O1 H2O C 168 16.109 12.010 20.991 0.00 0.00 -ATOM 2519 H1 H2O C 168 16.955 11.804 20.498 0.00 0.00 -ATOM 2520 H2 H2O C 168 16.165 11.639 21.918 0.00 0.00 -ATOM 2521 O1 H2O C 169 27.568 22.400 23.310 0.00 0.00 -ATOM 2522 H1 H2O C 169 26.890 21.763 23.677 0.00 0.00 -ATOM 2523 H2 H2O C 169 27.653 22.264 22.323 0.00 0.00 -ATOM 2524 O1 H2O C 170 11.705 5.776 23.554 0.00 0.00 -ATOM 2525 H1 H2O C 170 11.045 5.145 23.961 0.00 0.00 -ATOM 2526 H2 H2O C 170 11.365 6.713 23.637 0.00 0.00 -ATOM 2527 O1 H2O C 171 18.786 20.334 22.685 0.00 0.00 -ATOM 2528 H1 H2O C 171 18.023 20.737 23.191 0.00 0.00 -ATOM 2529 H2 H2O C 171 18.545 20.265 21.717 0.00 0.00 -ATOM 2530 O1 H2O C 172 20.025 23.779 23.577 0.00 0.00 -ATOM 2531 H1 H2O C 172 20.325 22.910 23.184 0.00 0.00 -ATOM 2532 H2 H2O C 172 19.045 23.737 23.771 0.00 0.00 -ATOM 2533 O1 H2O C 173 19.012 13.990 21.054 0.00 0.00 -ATOM 2534 H1 H2O C 173 19.375 13.688 21.935 0.00 0.00 -ATOM 2535 H2 H2O C 173 18.395 14.764 21.195 0.00 0.00 -ATOM 2536 O1 H2O C 174 16.336 29.182 23.547 0.00 0.00 -ATOM 2537 H1 H2O C 174 16.849 28.327 23.475 0.00 0.00 -ATOM 2538 H2 H2O C 174 16.962 29.930 23.765 0.00 0.00 -ATOM 2539 O1 H2O C 175 17.715 9.026 22.945 0.00 0.00 -ATOM 2540 H1 H2O C 175 17.731 8.980 21.946 0.00 0.00 -ATOM 2541 H2 H2O C 175 17.180 8.262 23.305 0.00 0.00 -ATOM 2542 O1 H2O C 176 18.185 3.727 22.258 0.00 0.00 -ATOM 2543 H1 H2O C 176 18.925 3.648 21.590 0.00 0.00 -ATOM 2544 H2 H2O C 176 18.371 4.495 22.871 0.00 0.00 -ATOM 2545 O1 H2O C 177 26.066 3.696 20.670 0.00 0.00 -ATOM 2546 H1 H2O C 177 27.064 3.727 20.718 0.00 0.00 -ATOM 2547 H2 H2O C 177 25.732 4.483 20.150 0.00 0.00 -ATOM 2548 O1 H2O C 178 16.560 2.255 20.742 0.00 0.00 -ATOM 2549 H1 H2O C 178 17.048 2.617 21.536 0.00 0.00 -ATOM 2550 H2 H2O C 178 15.735 2.797 20.581 0.00 0.00 -ATOM 2551 O1 H2O C 179 14.046 20.857 20.229 0.00 0.00 -ATOM 2552 H1 H2O C 179 14.937 21.262 20.435 0.00 0.00 -ATOM 2553 H2 H2O C 179 14.125 19.860 20.235 0.00 0.00 -ATOM 2554 O1 H2O C 180 13.730 1.021 23.014 0.00 0.00 -ATOM 2555 H1 H2O C 180 14.470 0.496 23.435 0.00 0.00 -ATOM 2556 H2 H2O C 180 13.660 1.914 23.458 0.00 0.00 -ATOM 2557 O1 H2O C 181 20.217 10.303 22.961 0.00 0.00 -ATOM 2558 H1 H2O C 181 19.299 9.916 23.041 0.00 0.00 -ATOM 2559 H2 H2O C 181 20.896 9.594 23.156 0.00 0.00 -ATOM 2560 O1 H2O C 182 17.067 24.572 23.319 0.00 0.00 -ATOM 2561 H1 H2O C 182 16.967 24.866 22.368 0.00 0.00 -ATOM 2562 H2 H2O C 182 16.602 25.222 23.920 0.00 0.00 -ATOM 2563 O1 H2O C 183 16.810 18.220 19.814 0.00 0.00 -ATOM 2564 H1 H2O C 183 17.138 19.163 19.750 0.00 0.00 -ATOM 2565 H2 H2O C 183 15.842 18.220 20.062 0.00 0.00 -ATOM 2566 O1 H2O C 184 1.571 1.007 20.628 0.00 0.00 -ATOM 2567 H1 H2O C 184 2.449 1.148 20.169 0.00 0.00 -ATOM 2568 H2 H2O C 184 1.718 0.926 21.613 0.00 0.00 -ATOM 2569 O1 H2O C 185 18.400 5.332 19.707 0.00 0.00 -ATOM 2570 H1 H2O C 185 19.026 6.111 19.721 0.00 0.00 -ATOM 2571 H2 H2O C 185 18.919 4.485 19.822 0.00 0.00 -ATOM 2572 O1 H2O C 186 8.380 25.540 21.026 0.00 0.00 -ATOM 2573 H1 H2O C 186 8.890 24.810 20.570 0.00 0.00 -ATOM 2574 H2 H2O C 186 7.510 25.683 20.555 0.00 0.00 -ATOM 2575 O1 H2O C 187 25.706 14.701 20.053 0.00 0.00 -ATOM 2576 H1 H2O C 187 26.171 15.508 19.689 0.00 0.00 -ATOM 2577 H2 H2O C 187 26.383 14.006 20.293 0.00 0.00 -ATOM 2578 O1 H2O C 188 16.709 15.769 20.903 0.00 0.00 -ATOM 2579 H1 H2O C 188 15.760 15.460 20.968 0.00 0.00 -ATOM 2580 H2 H2O C 188 16.734 16.689 20.512 0.00 0.00 -ATOM 2581 O1 H2O C 189 3.242 7.422 23.622 0.00 0.00 -ATOM 2582 H1 H2O C 189 3.590 8.321 23.356 0.00 0.00 -ATOM 2583 H2 H2O C 189 3.258 7.340 24.618 0.00 0.00 -ATOM 2584 O1 H2O C 190 7.934 17.303 20.575 0.00 0.00 -ATOM 2585 H1 H2O C 190 7.862 18.174 20.089 0.00 0.00 -ATOM 2586 H2 H2O C 190 8.795 17.276 21.084 0.00 0.00 -ATOM 2587 O1 H2O C 191 13.622 21.891 23.325 0.00 0.00 -ATOM 2588 H1 H2O C 191 13.336 21.549 22.430 0.00 0.00 -ATOM 2589 H2 H2O C 191 13.433 22.871 23.382 0.00 0.00 -ATOM 2590 O1 H2O C 192 2.978 16.225 20.613 0.00 0.00 -ATOM 2591 H1 H2O C 192 3.863 16.680 20.713 0.00 0.00 -ATOM 2592 H2 H2O C 192 2.614 16.004 21.518 0.00 0.00 -ATOM 2593 O1 H2O C 193 15.967 5.548 20.614 0.00 0.00 -ATOM 2594 H1 H2O C 193 15.486 4.672 20.579 0.00 0.00 -ATOM 2595 H2 H2O C 193 16.825 5.478 20.105 0.00 0.00 -ATOM 2596 O1 H2O C 194 15.944 28.668 19.974 0.00 0.00 -ATOM 2597 H1 H2O C 194 15.347 29.089 19.291 0.00 0.00 -ATOM 2598 H2 H2O C 194 15.663 28.960 20.888 0.00 0.00 -ATOM 2599 O1 H2O C 195 13.140 29.876 20.391 0.00 0.00 -ATOM 2600 H1 H2O C 195 12.927 28.909 20.530 0.00 0.00 -ATOM 2601 H2 H2O C 195 13.516 30.259 21.235 0.00 0.00 -END diff --git a/simulations/equilb_boxes/3x3x1.0nm_3-layer/gomc/u_n_3769/Output_data_BOX_1_restart.pdb b/simulations/equilb_boxes/3x3x1.0nm_3-layer/gomc/u_n_3769/Output_data_BOX_1_restart.pdb deleted file mode 100644 index be6e59f..0000000 --- a/simulations/equilb_boxes/3x3x1.0nm_3-layer/gomc/u_n_3769/Output_data_BOX_1_restart.pdb +++ /dev/null @@ -1,12411 +0,0 @@ -REMARK GOMC 15.000 0.78540 0.000 50000000 -CRYST1 60.000 60.000 60.000 90.00 90.00 90.00 P 1 1 -ATOM 1 O1 H2O C 1 13.381 2.026 34.851 0.00 0.00 -ATOM 2 H1 H2O C 1 13.585 2.556 34.028 0.00 0.00 -ATOM 3 H2 H2O C 1 13.978 1.225 34.888 0.00 0.00 -ATOM 4 O1 H2O C 2 12.017 36.650 33.333 0.00 0.00 -ATOM 5 H1 H2O C 2 11.118 37.042 33.138 0.00 0.00 -ATOM 6 H2 H2O C 2 11.904 35.755 33.765 0.00 0.00 -ATOM 7 O1 H2O C 3 51.237 43.616 41.149 0.00 0.00 -ATOM 8 H1 H2O C 3 50.968 42.764 41.598 0.00 0.00 -ATOM 9 H2 H2O C 3 51.888 43.416 40.417 0.00 0.00 -ATOM 10 O1 H2O C 4 16.890 30.385 18.585 0.00 0.00 -ATOM 11 H1 H2O C 4 17.688 30.555 19.163 0.00 0.00 -ATOM 12 H2 H2O C 4 16.942 30.960 17.768 0.00 0.00 -ATOM 13 O1 H2O C 5 53.989 41.479 18.224 0.00 0.00 -ATOM 14 H1 H2O C 5 54.873 41.765 17.855 0.00 0.00 -ATOM 15 H2 H2O C 5 53.742 42.070 18.992 0.00 0.00 -ATOM 16 O1 H2O C 6 44.671 37.948 13.658 0.00 0.00 -ATOM 17 H1 H2O C 6 44.073 38.493 13.070 0.00 0.00 -ATOM 18 H2 H2O C 6 44.123 37.284 14.167 0.00 0.00 -ATOM 19 O1 H2O C 7 8.999 43.972 58.480 0.00 0.00 -ATOM 20 H1 H2O C 7 8.853 43.096 58.022 0.00 0.00 -ATOM 21 H2 H2O C 7 8.402 44.034 59.280 0.00 0.00 -ATOM 22 O1 H2O C 8 31.922 43.465 16.707 0.00 0.00 -ATOM 23 H1 H2O C 8 32.633 42.899 17.124 0.00 0.00 -ATOM 24 H2 H2O C 8 31.698 44.224 17.318 0.00 0.00 -ATOM 25 O1 H2O C 9 29.197 30.970 10.033 0.00 0.00 -ATOM 26 H1 H2O C 9 29.467 31.930 9.955 0.00 0.00 -ATOM 27 H2 H2O C 9 29.975 30.430 10.354 0.00 0.00 -ATOM 28 O1 H2O C 10 54.998 14.653 23.052 0.00 0.00 -ATOM 29 H1 H2O C 10 55.600 14.500 23.836 0.00 0.00 -ATOM 30 H2 H2O C 10 54.055 14.747 23.370 0.00 0.00 -ATOM 31 O1 H2O C 11 13.757 45.572 25.667 0.00 0.00 -ATOM 32 H1 H2O C 11 14.134 45.607 26.592 0.00 0.00 -ATOM 33 H2 H2O C 11 12.898 46.083 25.637 0.00 0.00 -ATOM 34 O1 H2O C 12 33.786 6.256 15.205 0.00 0.00 -ATOM 35 H1 H2O C 12 32.799 6.321 15.351 0.00 0.00 -ATOM 36 H2 H2O C 12 34.264 6.455 16.061 0.00 0.00 -ATOM 37 O1 H2O C 13 19.492 54.375 27.939 0.00 0.00 -ATOM 38 H1 H2O C 13 19.849 54.912 28.703 0.00 0.00 -ATOM 39 H2 H2O C 13 19.581 53.401 28.146 0.00 0.00 -ATOM 40 O1 H2O C 14 47.262 38.868 5.867 0.00 0.00 -ATOM 41 H1 H2O C 14 46.355 38.982 6.273 0.00 0.00 -ATOM 42 H2 H2O C 14 47.333 37.958 5.459 0.00 0.00 -ATOM 43 O1 H2O C 15 20.078 39.150 21.612 0.00 0.00 -ATOM 44 H1 H2O C 15 19.689 39.779 20.938 0.00 0.00 -ATOM 45 H2 H2O C 15 20.036 39.568 22.520 0.00 0.00 -ATOM 46 O1 H2O C 16 1.583 25.363 6.193 0.00 0.00 -ATOM 47 H1 H2O C 16 0.737 24.829 6.191 0.00 0.00 -ATOM 48 H2 H2O C 16 1.632 25.913 5.359 0.00 0.00 -ATOM 49 O1 H2O C 17 54.186 7.425 36.128 0.00 0.00 -ATOM 50 H1 H2O C 17 53.988 7.523 35.153 0.00 0.00 -ATOM 51 H2 H2O C 17 53.386 7.704 36.660 0.00 0.00 -ATOM 52 O1 H2O C 18 13.226 35.005 38.257 0.00 0.00 -ATOM 53 H1 H2O C 18 13.966 35.408 38.797 0.00 0.00 -ATOM 54 H2 H2O C 18 13.045 35.580 37.459 0.00 0.00 -ATOM 55 O1 H2O C 19 55.727 1.977 0.983 0.00 0.00 -ATOM 56 H1 H2O C 19 56.027 2.379 0.118 0.00 0.00 -ATOM 57 H2 H2O C 19 56.106 1.055 1.071 0.00 0.00 -ATOM 58 O1 H2O C 20 26.392 55.728 46.336 0.00 0.00 -ATOM 59 H1 H2O C 20 25.923 54.987 46.817 0.00 0.00 -ATOM 60 H2 H2O C 20 25.735 56.224 45.768 0.00 0.00 -ATOM 61 O1 H2O C 21 33.865 50.863 39.179 0.00 0.00 -ATOM 62 H1 H2O C 21 34.527 51.410 38.668 0.00 0.00 -ATOM 63 H2 H2O C 21 33.241 51.469 39.673 0.00 0.00 -ATOM 64 O1 H2O C 22 17.634 34.651 28.756 0.00 0.00 -ATOM 65 H1 H2O C 22 18.167 35.362 29.216 0.00 0.00 -ATOM 66 H2 H2O C 22 18.235 33.891 28.508 0.00 0.00 -ATOM 67 O1 H2O C 23 8.838 56.521 15.826 0.00 0.00 -ATOM 68 H1 H2O C 23 9.422 55.956 15.243 0.00 0.00 -ATOM 69 H2 H2O C 23 7.925 56.115 15.877 0.00 0.00 -ATOM 70 O1 H2O C 24 26.068 19.535 32.583 0.00 0.00 -ATOM 71 H1 H2O C 24 26.387 20.269 31.984 0.00 0.00 -ATOM 72 H2 H2O C 24 26.041 19.864 33.527 0.00 0.00 -ATOM 73 O1 H2O C 25 20.731 21.952 48.755 0.00 0.00 -ATOM 74 H1 H2O C 25 20.198 21.571 48.000 0.00 0.00 -ATOM 75 H2 H2O C 25 20.346 21.643 49.625 0.00 0.00 -ATOM 76 O1 H2O C 26 35.374 34.137 14.001 0.00 0.00 -ATOM 77 H1 H2O C 26 36.103 34.037 13.324 0.00 0.00 -ATOM 78 H2 H2O C 26 35.335 35.088 14.309 0.00 0.00 -ATOM 79 O1 H2O C 27 34.325 41.987 5.857 0.00 0.00 -ATOM 80 H1 H2O C 27 34.375 41.019 5.610 0.00 0.00 -ATOM 81 H2 H2O C 27 34.805 42.532 5.169 0.00 0.00 -ATOM 82 O1 H2O C 28 28.498 35.341 54.188 0.00 0.00 -ATOM 83 H1 H2O C 28 27.761 35.137 53.544 0.00 0.00 -ATOM 84 H2 H2O C 28 28.291 34.923 55.073 0.00 0.00 -ATOM 85 O1 H2O C 29 28.266 56.717 45.305 0.00 0.00 -ATOM 86 H1 H2O C 29 29.248 56.721 45.118 0.00 0.00 -ATOM 87 H2 H2O C 29 28.006 55.838 45.705 0.00 0.00 -ATOM 88 O1 H2O C 30 59.649 24.718 45.705 0.00 0.00 -ATOM 89 H1 H2O C 30 59.207 25.578 45.958 0.00 0.00 -ATOM 90 H2 H2O C 30 60.312 24.464 46.409 0.00 0.00 -ATOM 91 O1 H2O C 31 0.732 1.529 24.497 0.00 0.00 -ATOM 92 H1 H2O C 31 0.021 1.672 23.809 0.00 0.00 -ATOM 93 H2 H2O C 31 0.453 1.956 25.358 0.00 0.00 -ATOM 94 O1 H2O C 32 42.855 12.240 4.944 0.00 0.00 -ATOM 95 H1 H2O C 32 42.843 12.589 5.881 0.00 0.00 -ATOM 96 H2 H2O C 32 43.630 12.635 4.451 0.00 0.00 -ATOM 97 O1 H2O C 33 39.490 20.242 30.477 0.00 0.00 -ATOM 98 H1 H2O C 33 39.708 20.766 31.301 0.00 0.00 -ATOM 99 H2 H2O C 33 39.831 20.727 29.673 0.00 0.00 -ATOM 100 O1 H2O C 34 9.097 35.573 24.970 0.00 0.00 -ATOM 101 H1 H2O C 34 9.050 34.659 24.567 0.00 0.00 -ATOM 102 H2 H2O C 34 9.670 36.160 24.399 0.00 0.00 -ATOM 103 O1 H2O C 35 33.605 57.750 38.305 0.00 0.00 -ATOM 104 H1 H2O C 35 34.479 57.810 37.823 0.00 0.00 -ATOM 105 H2 H2O C 35 33.556 58.471 38.996 0.00 0.00 -ATOM 106 O1 H2O C 36 51.375 24.844 38.305 0.00 0.00 -ATOM 107 H1 H2O C 36 52.010 25.612 38.397 0.00 0.00 -ATOM 108 H2 H2O C 36 50.861 24.734 39.157 0.00 0.00 -ATOM 109 O1 H2O C 37 55.328 33.583 25.037 0.00 0.00 -ATOM 110 H1 H2O C 37 55.141 34.180 24.257 0.00 0.00 -ATOM 111 H2 H2O C 37 55.381 32.634 24.725 0.00 0.00 -ATOM 112 O1 H2O C 38 22.006 12.221 52.352 0.00 0.00 -ATOM 113 H1 H2O C 38 21.090 11.840 52.480 0.00 0.00 -ATOM 114 H2 H2O C 38 22.516 11.653 51.706 0.00 0.00 -ATOM 115 O1 H2O C 39 42.453 56.444 7.305 0.00 0.00 -ATOM 116 H1 H2O C 39 42.570 57.436 7.272 0.00 0.00 -ATOM 117 H2 H2O C 39 43.234 56.002 6.863 0.00 0.00 -ATOM 118 O1 H2O C 40 22.487 8.167 43.799 0.00 0.00 -ATOM 119 H1 H2O C 40 23.014 8.373 44.623 0.00 0.00 -ATOM 120 H2 H2O C 40 21.601 7.781 44.058 0.00 0.00 -ATOM 121 O1 H2O C 41 38.960 13.980 42.970 0.00 0.00 -ATOM 122 H1 H2O C 41 38.612 14.794 43.435 0.00 0.00 -ATOM 123 H2 H2O C 41 38.543 13.164 43.370 0.00 0.00 -ATOM 124 O1 H2O C 42 43.229 17.310 58.447 0.00 0.00 -ATOM 125 H1 H2O C 42 43.874 16.690 57.999 0.00 0.00 -ATOM 126 H2 H2O C 42 42.562 17.637 57.777 0.00 0.00 -ATOM 127 O1 H2O C 43 16.221 41.173 14.669 0.00 0.00 -ATOM 128 H1 H2O C 43 17.036 40.690 14.348 0.00 0.00 -ATOM 129 H2 H2O C 43 15.680 41.473 13.884 0.00 0.00 -ATOM 130 O1 H2O C 44 30.848 27.870 50.569 0.00 0.00 -ATOM 131 H1 H2O C 44 29.963 27.468 50.334 0.00 0.00 -ATOM 132 H2 H2O C 44 31.547 27.527 49.940 0.00 0.00 -ATOM 133 O1 H2O C 45 28.773 44.844 28.497 0.00 0.00 -ATOM 134 H1 H2O C 45 29.069 44.059 27.951 0.00 0.00 -ATOM 135 H2 H2O C 45 29.121 45.686 28.083 0.00 0.00 -ATOM 136 O1 H2O C 46 44.281 57.076 16.821 0.00 0.00 -ATOM 137 H1 H2O C 46 44.631 56.930 15.896 0.00 0.00 -ATOM 138 H2 H2O C 46 44.495 58.008 17.115 0.00 0.00 -ATOM 139 O1 H2O C 47 40.171 6.373 1.338 0.00 0.00 -ATOM 140 H1 H2O C 47 40.909 6.883 1.781 0.00 0.00 -ATOM 141 H2 H2O C 47 40.532 5.511 0.980 0.00 0.00 -ATOM 142 O1 H2O C 48 3.351 22.860 55.023 0.00 0.00 -ATOM 143 H1 H2O C 48 4.234 23.125 54.635 0.00 0.00 -ATOM 144 H2 H2O C 48 3.500 22.237 55.792 0.00 0.00 -ATOM 145 O1 H2O C 49 13.470 58.297 40.043 0.00 0.00 -ATOM 146 H1 H2O C 49 14.363 58.739 40.121 0.00 0.00 -ATOM 147 H2 H2O C 49 12.758 58.995 39.963 0.00 0.00 -ATOM 148 O1 H2O C 50 42.404 39.518 24.998 0.00 0.00 -ATOM 149 H1 H2O C 50 42.986 39.772 25.771 0.00 0.00 -ATOM 150 H2 H2O C 50 42.853 39.782 24.143 0.00 0.00 -ATOM 151 O1 H2O C 51 38.590 2.455 46.186 0.00 0.00 -ATOM 152 H1 H2O C 51 37.972 2.925 46.816 0.00 0.00 -ATOM 153 H2 H2O C 51 38.285 2.607 45.245 0.00 0.00 -ATOM 154 O1 H2O C 52 0.799 39.268 29.172 0.00 0.00 -ATOM 155 H1 H2O C 52 1.291 38.491 29.565 0.00 0.00 -ATOM 156 H2 H2O C 52 0.006 39.483 29.743 0.00 0.00 -ATOM 157 O1 H2O C 53 1.467 12.545 39.704 0.00 0.00 -ATOM 158 H1 H2O C 53 2.048 11.918 39.187 0.00 0.00 -ATOM 159 H2 H2O C 53 0.519 12.229 39.666 0.00 0.00 -ATOM 160 O1 H2O C 54 53.111 54.869 1.160 0.00 0.00 -ATOM 161 H1 H2O C 54 52.422 54.833 1.885 0.00 0.00 -ATOM 162 H2 H2O C 54 53.511 55.785 1.127 0.00 0.00 -ATOM 163 O1 H2O C 55 47.146 26.847 14.755 0.00 0.00 -ATOM 164 H1 H2O C 55 46.734 26.744 13.850 0.00 0.00 -ATOM 165 H2 H2O C 55 48.078 26.483 14.740 0.00 0.00 -ATOM 166 O1 H2O C 56 17.494 19.854 38.702 0.00 0.00 -ATOM 167 H1 H2O C 56 18.220 19.229 38.415 0.00 0.00 -ATOM 168 H2 H2O C 56 16.661 19.657 38.184 0.00 0.00 -ATOM 169 O1 H2O C 57 31.657 11.532 4.028 0.00 0.00 -ATOM 170 H1 H2O C 57 32.147 11.565 4.899 0.00 0.00 -ATOM 171 H2 H2O C 57 31.204 10.645 3.934 0.00 0.00 -ATOM 172 O1 H2O C 58 60.239 18.744 5.618 0.00 0.00 -ATOM 173 H1 H2O C 58 59.863 19.649 5.416 0.00 0.00 -ATOM 174 H2 H2O C 58 59.586 18.041 5.337 0.00 0.00 -ATOM 175 O1 H2O C 59 33.696 5.497 55.250 0.00 0.00 -ATOM 176 H1 H2O C 59 34.408 6.104 54.896 0.00 0.00 -ATOM 177 H2 H2O C 59 33.241 5.936 56.026 0.00 0.00 -ATOM 178 O1 H2O C 60 18.720 38.669 53.041 0.00 0.00 -ATOM 179 H1 H2O C 60 19.654 38.582 52.693 0.00 0.00 -ATOM 180 H2 H2O C 60 18.094 38.172 52.441 0.00 0.00 -ATOM 181 O1 H2O C 61 6.910 41.674 14.048 0.00 0.00 -ATOM 182 H1 H2O C 61 6.027 41.203 14.057 0.00 0.00 -ATOM 183 H2 H2O C 61 6.904 42.406 14.730 0.00 0.00 -ATOM 184 O1 H2O C 62 35.835 17.015 30.331 0.00 0.00 -ATOM 185 H1 H2O C 62 35.724 17.327 29.387 0.00 0.00 -ATOM 186 H2 H2O C 62 36.717 17.328 30.683 0.00 0.00 -ATOM 187 O1 H2O C 63 51.548 27.666 45.925 0.00 0.00 -ATOM 188 H1 H2O C 63 51.688 27.816 44.945 0.00 0.00 -ATOM 189 H2 H2O C 63 51.364 28.542 46.372 0.00 0.00 -ATOM 190 O1 H2O C 64 41.276 52.395 49.652 0.00 0.00 -ATOM 191 H1 H2O C 64 41.281 52.673 48.691 0.00 0.00 -ATOM 192 H2 H2O C 64 41.969 51.690 49.799 0.00 0.00 -ATOM 193 O1 H2O C 65 43.162 31.563 1.693 0.00 0.00 -ATOM 194 H1 H2O C 65 42.710 32.454 1.651 0.00 0.00 -ATOM 195 H2 H2O C 65 42.735 31.005 2.404 0.00 0.00 -ATOM 196 O1 H2O C 66 2.385 32.937 49.578 0.00 0.00 -ATOM 197 H1 H2O C 66 1.765 32.244 49.210 0.00 0.00 -ATOM 198 H2 H2O C 66 3.212 32.975 49.017 0.00 0.00 -ATOM 199 O1 H2O C 67 7.060 40.088 4.948 0.00 0.00 -ATOM 200 H1 H2O C 67 6.719 40.046 5.888 0.00 0.00 -ATOM 201 H2 H2O C 67 7.244 41.039 4.702 0.00 0.00 -ATOM 202 O1 H2O C 68 44.046 10.846 39.562 0.00 0.00 -ATOM 203 H1 H2O C 68 43.160 11.200 39.862 0.00 0.00 -ATOM 204 H2 H2O C 68 43.939 10.385 38.681 0.00 0.00 -ATOM 205 O1 H2O C 69 13.049 16.399 54.365 0.00 0.00 -ATOM 206 H1 H2O C 69 13.349 17.188 54.900 0.00 0.00 -ATOM 207 H2 H2O C 69 12.349 15.898 54.873 0.00 0.00 -ATOM 208 O1 H2O C 70 50.970 4.952 49.565 0.00 0.00 -ATOM 209 H1 H2O C 70 50.104 5.417 49.752 0.00 0.00 -ATOM 210 H2 H2O C 70 51.162 4.299 50.299 0.00 0.00 -ATOM 211 O1 H2O C 71 41.081 15.666 42.823 0.00 0.00 -ATOM 212 H1 H2O C 71 41.674 16.095 42.142 0.00 0.00 -ATOM 213 H2 H2O C 71 40.206 15.429 42.401 0.00 0.00 -ATOM 214 O1 H2O C 72 14.233 42.955 44.441 0.00 0.00 -ATOM 215 H1 H2O C 72 14.390 42.124 43.905 0.00 0.00 -ATOM 216 H2 H2O C 72 13.471 43.467 44.043 0.00 0.00 -ATOM 217 O1 H2O C 73 49.426 47.348 19.902 0.00 0.00 -ATOM 218 H1 H2O C 73 48.895 48.106 20.281 0.00 0.00 -ATOM 219 H2 H2O C 73 49.499 46.619 20.583 0.00 0.00 -ATOM 220 O1 H2O C 74 50.734 48.366 58.240 0.00 0.00 -ATOM 221 H1 H2O C 74 51.226 47.537 58.506 0.00 0.00 -ATOM 222 H2 H2O C 74 51.391 49.096 58.050 0.00 0.00 -ATOM 223 O1 H2O C 75 13.789 31.310 55.664 0.00 0.00 -ATOM 224 H1 H2O C 75 13.853 30.462 56.190 0.00 0.00 -ATOM 225 H2 H2O C 75 14.708 31.625 55.426 0.00 0.00 -ATOM 226 O1 H2O C 76 13.843 32.825 59.139 0.00 0.00 -ATOM 227 H1 H2O C 76 14.586 32.208 59.399 0.00 0.00 -ATOM 228 H2 H2O C 76 14.203 33.751 59.026 0.00 0.00 -ATOM 229 O1 H2O C 77 49.935 44.308 24.624 0.00 0.00 -ATOM 230 H1 H2O C 77 50.249 45.177 24.242 0.00 0.00 -ATOM 231 H2 H2O C 77 49.247 44.483 25.329 0.00 0.00 -ATOM 232 O1 H2O C 78 26.892 37.642 27.052 0.00 0.00 -ATOM 233 H1 H2O C 78 27.676 38.262 26.995 0.00 0.00 -ATOM 234 H2 H2O C 78 26.626 37.530 28.010 0.00 0.00 -ATOM 235 O1 H2O C 79 3.281 10.363 42.530 0.00 0.00 -ATOM 236 H1 H2O C 79 3.018 10.866 41.707 0.00 0.00 -ATOM 237 H2 H2O C 79 4.111 10.766 42.916 0.00 0.00 -ATOM 238 O1 H2O C 80 43.837 10.596 0.444 0.00 0.00 -ATOM 239 H1 H2O C 80 43.457 11.434 0.836 0.00 0.00 -ATOM 240 H2 H2O C 80 43.102 10.055 0.037 0.00 0.00 -ATOM 241 O1 H2O C 81 14.926 30.208 37.816 0.00 0.00 -ATOM 242 H1 H2O C 81 14.187 29.733 37.338 0.00 0.00 -ATOM 243 H2 H2O C 81 14.632 31.136 38.046 0.00 0.00 -ATOM 244 O1 H2O C 82 46.376 57.494 39.022 0.00 0.00 -ATOM 245 H1 H2O C 82 47.249 57.033 39.180 0.00 0.00 -ATOM 246 H2 H2O C 82 45.697 56.826 38.718 0.00 0.00 -ATOM 247 O1 H2O C 83 50.478 49.918 19.825 0.00 0.00 -ATOM 248 H1 H2O C 83 49.842 49.343 19.310 0.00 0.00 -ATOM 249 H2 H2O C 83 50.208 49.935 20.788 0.00 0.00 -ATOM 250 O1 H2O C 84 2.083 10.653 52.489 0.00 0.00 -ATOM 251 H1 H2O C 84 2.712 11.427 52.410 0.00 0.00 -ATOM 252 H2 H2O C 84 1.971 10.224 51.592 0.00 0.00 -ATOM 253 O1 H2O C 85 4.427 33.550 57.237 0.00 0.00 -ATOM 254 H1 H2O C 85 4.851 34.297 57.752 0.00 0.00 -ATOM 255 H2 H2O C 85 4.471 33.755 56.259 0.00 0.00 -ATOM 256 O1 H2O C 86 58.540 47.110 5.912 0.00 0.00 -ATOM 257 H1 H2O C 86 58.464 47.965 5.400 0.00 0.00 -ATOM 258 H2 H2O C 86 59.209 46.513 5.467 0.00 0.00 -ATOM 259 O1 H2O C 87 29.957 19.560 13.067 0.00 0.00 -ATOM 260 H1 H2O C 87 30.491 19.778 13.884 0.00 0.00 -ATOM 261 H2 H2O C 87 29.998 18.575 12.895 0.00 0.00 -ATOM 262 O1 H2O C 88 37.663 4.005 19.113 0.00 0.00 -ATOM 263 H1 H2O C 88 37.065 4.737 18.783 0.00 0.00 -ATOM 264 H2 H2O C 88 37.625 3.969 20.112 0.00 0.00 -ATOM 265 O1 H2O C 89 33.127 10.983 40.109 0.00 0.00 -ATOM 266 H1 H2O C 89 34.084 11.275 40.108 0.00 0.00 -ATOM 267 H2 H2O C 89 32.797 10.920 39.167 0.00 0.00 -ATOM 268 O1 H2O C 90 36.827 30.948 38.009 0.00 0.00 -ATOM 269 H1 H2O C 90 36.498 31.791 38.434 0.00 0.00 -ATOM 270 H2 H2O C 90 37.077 31.130 37.058 0.00 0.00 -ATOM 271 O1 H2O C 91 52.457 7.485 5.632 0.00 0.00 -ATOM 272 H1 H2O C 91 52.995 7.217 6.431 0.00 0.00 -ATOM 273 H2 H2O C 91 52.374 6.706 5.010 0.00 0.00 -ATOM 274 O1 H2O C 92 49.897 3.842 47.604 0.00 0.00 -ATOM 275 H1 H2O C 92 49.869 3.928 46.608 0.00 0.00 -ATOM 276 H2 H2O C 92 50.302 2.962 47.851 0.00 0.00 -ATOM 277 O1 H2O C 93 20.536 58.514 37.523 0.00 0.00 -ATOM 278 H1 H2O C 93 21.031 57.667 37.718 0.00 0.00 -ATOM 279 H2 H2O C 93 20.078 58.435 36.638 0.00 0.00 -ATOM 280 O1 H2O C 94 33.006 56.796 3.564 0.00 0.00 -ATOM 281 H1 H2O C 94 32.645 57.728 3.624 0.00 0.00 -ATOM 282 H2 H2O C 94 33.220 56.584 2.610 0.00 0.00 -ATOM 283 O1 H2O C 95 29.823 55.687 52.505 0.00 0.00 -ATOM 284 H1 H2O C 95 30.174 55.294 53.355 0.00 0.00 -ATOM 285 H2 H2O C 95 28.987 56.202 52.696 0.00 0.00 -ATOM 286 O1 H2O C 96 52.003 37.095 10.404 0.00 0.00 -ATOM 287 H1 H2O C 96 52.763 36.461 10.261 0.00 0.00 -ATOM 288 H2 H2O C 96 52.274 38.011 10.108 0.00 0.00 -ATOM 289 O1 H2O C 97 0.270 5.767 23.266 0.00 0.00 -ATOM 290 H1 H2O C 97 -0.663 5.440 23.114 0.00 0.00 -ATOM 291 H2 H2O C 97 0.417 6.607 22.744 0.00 0.00 -ATOM 292 O1 H2O C 98 51.782 23.333 35.512 0.00 0.00 -ATOM 293 H1 H2O C 98 51.584 22.937 34.616 0.00 0.00 -ATOM 294 H2 H2O C 98 52.644 23.838 35.470 0.00 0.00 -ATOM 295 O1 H2O C 99 46.571 55.173 57.485 0.00 0.00 -ATOM 296 H1 H2O C 99 46.959 55.336 58.392 0.00 0.00 -ATOM 297 H2 H2O C 99 47.154 54.534 56.983 0.00 0.00 -ATOM 298 O1 H2O C 100 34.429 2.010 25.788 0.00 0.00 -ATOM 299 H1 H2O C 100 33.734 1.762 26.463 0.00 0.00 -ATOM 300 H2 H2O C 100 35.286 1.544 26.006 0.00 0.00 -ATOM 301 O1 H2O C 101 32.995 22.234 41.076 0.00 0.00 -ATOM 302 H1 H2O C 101 33.401 21.370 40.775 0.00 0.00 -ATOM 303 H2 H2O C 101 33.284 22.969 40.462 0.00 0.00 -ATOM 304 O1 H2O C 102 20.259 30.067 35.514 0.00 0.00 -ATOM 305 H1 H2O C 102 19.553 30.768 35.623 0.00 0.00 -ATOM 306 H2 H2O C 102 20.421 29.907 34.540 0.00 0.00 -ATOM 307 O1 H2O C 103 35.303 55.593 4.513 0.00 0.00 -ATOM 308 H1 H2O C 103 34.559 56.224 4.734 0.00 0.00 -ATOM 309 H2 H2O C 103 35.977 56.061 3.941 0.00 0.00 -ATOM 310 O1 H2O C 104 20.198 48.641 11.596 0.00 0.00 -ATOM 311 H1 H2O C 104 19.625 47.851 11.816 0.00 0.00 -ATOM 312 H2 H2O C 104 19.628 49.460 11.534 0.00 0.00 -ATOM 313 O1 H2O C 105 26.547 24.330 19.593 0.00 0.00 -ATOM 314 H1 H2O C 105 27.055 25.191 19.595 0.00 0.00 -ATOM 315 H2 H2O C 105 26.458 23.994 20.531 0.00 0.00 -ATOM 316 O1 H2O C 106 11.869 39.683 7.560 0.00 0.00 -ATOM 317 H1 H2O C 106 11.090 39.056 7.529 0.00 0.00 -ATOM 318 H2 H2O C 106 11.540 40.626 7.499 0.00 0.00 -ATOM 319 O1 H2O C 107 37.073 7.382 38.331 0.00 0.00 -ATOM 320 H1 H2O C 107 36.074 7.413 38.319 0.00 0.00 -ATOM 321 H2 H2O C 107 37.435 8.313 38.384 0.00 0.00 -ATOM 322 O1 H2O C 108 32.389 33.934 33.024 0.00 0.00 -ATOM 323 H1 H2O C 108 33.268 33.668 32.628 0.00 0.00 -ATOM 324 H2 H2O C 108 32.241 33.427 33.874 0.00 0.00 -ATOM 325 O1 H2O C 109 36.125 16.533 3.676 0.00 0.00 -ATOM 326 H1 H2O C 109 36.841 16.569 2.979 0.00 0.00 -ATOM 327 H2 H2O C 109 35.252 16.302 3.246 0.00 0.00 -ATOM 328 O1 H2O C 110 15.634 26.727 51.063 0.00 0.00 -ATOM 329 H1 H2O C 110 15.677 26.706 50.064 0.00 0.00 -ATOM 330 H2 H2O C 110 16.551 26.595 51.439 0.00 0.00 -ATOM 331 O1 H2O C 111 11.182 3.986 25.554 0.00 0.00 -ATOM 332 H1 H2O C 111 11.476 3.077 25.852 0.00 0.00 -ATOM 333 H2 H2O C 111 11.977 4.591 25.500 0.00 0.00 -ATOM 334 O1 H2O C 112 8.036 3.017 46.768 0.00 0.00 -ATOM 335 H1 H2O C 112 7.294 3.555 47.167 0.00 0.00 -ATOM 336 H2 H2O C 112 8.518 2.524 47.492 0.00 0.00 -ATOM 337 O1 H2O C 113 30.086 11.723 59.408 0.00 0.00 -ATOM 338 H1 H2O C 113 30.883 11.812 58.810 0.00 0.00 -ATOM 339 H2 H2O C 113 30.270 11.032 60.108 0.00 0.00 -ATOM 340 O1 H2O C 114 21.122 51.612 46.896 0.00 0.00 -ATOM 341 H1 H2O C 114 21.816 50.894 46.836 0.00 0.00 -ATOM 342 H2 H2O C 114 21.570 52.496 47.030 0.00 0.00 -ATOM 343 O1 H2O C 115 19.832 12.706 48.707 0.00 0.00 -ATOM 344 H1 H2O C 115 19.122 12.128 49.110 0.00 0.00 -ATOM 345 H2 H2O C 115 19.515 13.060 47.828 0.00 0.00 -ATOM 346 O1 H2O C 116 28.944 51.602 1.422 0.00 0.00 -ATOM 347 H1 H2O C 116 29.140 50.835 2.033 0.00 0.00 -ATOM 348 H2 H2O C 116 29.276 52.450 1.834 0.00 0.00 -ATOM 349 O1 H2O C 117 0.233 38.418 7.114 0.00 0.00 -ATOM 350 H1 H2O C 117 0.635 39.141 6.551 0.00 0.00 -ATOM 351 H2 H2O C 117 0.830 37.616 7.104 0.00 0.00 -ATOM 352 O1 H2O C 118 54.994 37.182 11.294 0.00 0.00 -ATOM 353 H1 H2O C 118 55.007 38.123 11.630 0.00 0.00 -ATOM 354 H2 H2O C 118 54.335 36.648 11.823 0.00 0.00 -ATOM 355 O1 H2O C 119 51.216 10.129 7.811 0.00 0.00 -ATOM 356 H1 H2O C 119 50.770 9.374 7.330 0.00 0.00 -ATOM 357 H2 H2O C 119 50.521 10.709 8.236 0.00 0.00 -ATOM 358 O1 H2O C 120 25.427 39.370 31.870 0.00 0.00 -ATOM 359 H1 H2O C 120 26.405 39.240 31.707 0.00 0.00 -ATOM 360 H2 H2O C 120 25.167 38.909 32.719 0.00 0.00 -ATOM 361 O1 H2O C 121 32.191 46.870 6.846 0.00 0.00 -ATOM 362 H1 H2O C 121 31.975 46.257 7.606 0.00 0.00 -ATOM 363 H2 H2O C 121 33.173 46.834 6.658 0.00 0.00 -ATOM 364 O1 H2O C 122 50.211 17.443 5.438 0.00 0.00 -ATOM 365 H1 H2O C 122 49.253 17.595 5.195 0.00 0.00 -ATOM 366 H2 H2O C 122 50.267 16.748 6.155 0.00 0.00 -ATOM 367 O1 H2O C 123 2.081 36.528 14.937 0.00 0.00 -ATOM 368 H1 H2O C 123 2.567 36.152 14.148 0.00 0.00 -ATOM 369 H2 H2O C 123 1.892 35.797 15.593 0.00 0.00 -ATOM 370 O1 H2O C 124 4.124 15.231 13.178 0.00 0.00 -ATOM 371 H1 H2O C 124 3.788 15.363 14.111 0.00 0.00 -ATOM 372 H2 H2O C 124 4.251 16.123 12.741 0.00 0.00 -ATOM 373 O1 H2O C 125 31.096 8.421 8.964 0.00 0.00 -ATOM 374 H1 H2O C 125 31.995 8.645 9.338 0.00 0.00 -ATOM 375 H2 H2O C 125 31.022 7.431 8.844 0.00 0.00 -ATOM 376 O1 H2O C 126 56.073 21.869 26.881 0.00 0.00 -ATOM 377 H1 H2O C 126 56.585 22.249 26.109 0.00 0.00 -ATOM 378 H2 H2O C 126 55.148 22.251 26.887 0.00 0.00 -ATOM 379 O1 H2O C 127 18.096 34.468 11.440 0.00 0.00 -ATOM 380 H1 H2O C 127 17.795 33.614 11.866 0.00 0.00 -ATOM 381 H2 H2O C 127 17.296 34.991 11.143 0.00 0.00 -ATOM 382 O1 H2O C 128 34.490 26.384 51.268 0.00 0.00 -ATOM 383 H1 H2O C 128 34.009 26.425 50.392 0.00 0.00 -ATOM 384 H2 H2O C 128 34.473 25.445 51.614 0.00 0.00 -ATOM 385 O1 H2O C 129 12.355 0.941 27.581 0.00 0.00 -ATOM 386 H1 H2O C 129 12.535 0.889 28.563 0.00 0.00 -ATOM 387 H2 H2O C 129 13.083 0.469 27.082 0.00 0.00 -ATOM 388 O1 H2O C 130 1.379 10.162 48.732 0.00 0.00 -ATOM 389 H1 H2O C 130 0.721 10.310 47.993 0.00 0.00 -ATOM 390 H2 H2O C 130 2.286 10.003 48.343 0.00 0.00 -ATOM 391 O1 H2O C 131 19.156 32.590 53.428 0.00 0.00 -ATOM 392 H1 H2O C 131 18.434 32.078 53.894 0.00 0.00 -ATOM 393 H2 H2O C 131 19.664 31.975 52.825 0.00 0.00 -ATOM 394 O1 H2O C 132 14.416 1.513 2.771 0.00 0.00 -ATOM 395 H1 H2O C 132 13.572 1.859 2.360 0.00 0.00 -ATOM 396 H2 H2O C 132 15.201 1.832 2.239 0.00 0.00 -ATOM 397 O1 H2O C 133 26.105 28.327 37.593 0.00 0.00 -ATOM 398 H1 H2O C 133 26.711 28.265 38.386 0.00 0.00 -ATOM 399 H2 H2O C 133 25.923 29.288 37.386 0.00 0.00 -ATOM 400 O1 H2O C 134 12.132 35.387 38.356 0.00 0.00 -ATOM 401 H1 H2O C 134 12.951 34.812 38.355 0.00 0.00 -ATOM 402 H2 H2O C 134 11.944 35.696 39.289 0.00 0.00 -ATOM 403 O1 H2O C 135 0.677 51.559 43.357 0.00 0.00 -ATOM 404 H1 H2O C 135 -0.108 51.975 42.898 0.00 0.00 -ATOM 405 H2 H2O C 135 1.076 52.216 43.997 0.00 0.00 -ATOM 406 O1 H2O C 136 44.263 41.059 59.319 0.00 0.00 -ATOM 407 H1 H2O C 136 44.867 40.974 58.527 0.00 0.00 -ATOM 408 H2 H2O C 136 44.179 42.023 59.573 0.00 0.00 -ATOM 409 O1 H2O C 137 48.627 14.541 59.958 0.00 0.00 -ATOM 410 H1 H2O C 137 49.033 14.722 59.062 0.00 0.00 -ATOM 411 H2 H2O C 137 48.183 15.370 60.297 0.00 0.00 -ATOM 412 O1 H2O C 138 11.070 2.991 27.995 0.00 0.00 -ATOM 413 H1 H2O C 138 10.962 3.520 28.837 0.00 0.00 -ATOM 414 H2 H2O C 138 10.216 2.511 27.792 0.00 0.00 -ATOM 415 O1 H2O C 139 16.407 27.575 41.995 0.00 0.00 -ATOM 416 H1 H2O C 139 17.255 28.060 41.780 0.00 0.00 -ATOM 417 H2 H2O C 139 16.606 26.608 42.149 0.00 0.00 -ATOM 418 O1 H2O C 140 4.523 41.839 48.689 0.00 0.00 -ATOM 419 H1 H2O C 140 4.455 41.870 47.692 0.00 0.00 -ATOM 420 H2 H2O C 140 3.625 41.634 49.078 0.00 0.00 -ATOM 421 O1 H2O C 141 34.103 58.353 53.906 0.00 0.00 -ATOM 422 H1 H2O C 141 35.052 58.383 53.592 0.00 0.00 -ATOM 423 H2 H2O C 141 33.798 59.278 54.135 0.00 0.00 -ATOM 424 O1 H2O C 142 53.470 1.689 44.795 0.00 0.00 -ATOM 425 H1 H2O C 142 53.753 2.332 45.507 0.00 0.00 -ATOM 426 H2 H2O C 142 53.869 1.964 43.920 0.00 0.00 -ATOM 427 O1 H2O C 143 28.771 37.855 46.472 0.00 0.00 -ATOM 428 H1 H2O C 143 29.663 38.189 46.163 0.00 0.00 -ATOM 429 H2 H2O C 143 28.158 37.768 45.686 0.00 0.00 -ATOM 430 O1 H2O C 144 37.938 58.940 37.146 0.00 0.00 -ATOM 431 H1 H2O C 144 38.838 59.244 36.834 0.00 0.00 -ATOM 432 H2 H2O C 144 37.940 58.864 38.143 0.00 0.00 -ATOM 433 O1 H2O C 145 46.371 18.250 15.493 0.00 0.00 -ATOM 434 H1 H2O C 145 47.127 18.877 15.299 0.00 0.00 -ATOM 435 H2 H2O C 145 45.935 17.979 14.634 0.00 0.00 -ATOM 436 O1 H2O C 146 26.018 2.183 44.384 0.00 0.00 -ATOM 437 H1 H2O C 146 25.501 2.515 45.174 0.00 0.00 -ATOM 438 H2 H2O C 146 25.659 2.606 43.551 0.00 0.00 -ATOM 439 O1 H2O C 147 35.621 53.675 9.035 0.00 0.00 -ATOM 440 H1 H2O C 147 36.474 53.188 8.848 0.00 0.00 -ATOM 441 H2 H2O C 147 35.323 54.155 8.209 0.00 0.00 -ATOM 442 O1 H2O C 148 8.761 8.558 29.983 0.00 0.00 -ATOM 443 H1 H2O C 148 8.034 9.232 30.113 0.00 0.00 -ATOM 444 H2 H2O C 148 8.698 7.858 30.693 0.00 0.00 -ATOM 445 O1 H2O C 149 45.372 18.431 17.293 0.00 0.00 -ATOM 446 H1 H2O C 149 45.850 19.289 17.478 0.00 0.00 -ATOM 447 H2 H2O C 149 44.413 18.622 17.082 0.00 0.00 -ATOM 448 O1 H2O C 150 24.416 34.569 22.758 0.00 0.00 -ATOM 449 H1 H2O C 150 25.166 35.151 22.444 0.00 0.00 -ATOM 450 H2 H2O C 150 24.596 34.270 23.695 0.00 0.00 -ATOM 451 O1 H2O C 151 27.161 44.481 11.889 0.00 0.00 -ATOM 452 H1 H2O C 151 28.106 44.811 11.882 0.00 0.00 -ATOM 453 H2 H2O C 151 26.560 45.200 12.239 0.00 0.00 -ATOM 454 O1 H2O C 152 13.224 18.322 12.404 0.00 0.00 -ATOM 455 H1 H2O C 152 13.604 19.240 12.515 0.00 0.00 -ATOM 456 H2 H2O C 152 12.861 18.003 13.279 0.00 0.00 -ATOM 457 O1 H2O C 153 53.573 26.178 4.806 0.00 0.00 -ATOM 458 H1 H2O C 153 53.313 26.934 4.206 0.00 0.00 -ATOM 459 H2 H2O C 153 54.062 25.485 4.276 0.00 0.00 -ATOM 460 O1 H2O C 154 44.383 44.959 34.987 0.00 0.00 -ATOM 461 H1 H2O C 154 45.219 45.049 35.527 0.00 0.00 -ATOM 462 H2 H2O C 154 43.615 45.354 35.492 0.00 0.00 -ATOM 463 O1 H2O C 155 8.549 38.060 51.160 0.00 0.00 -ATOM 464 H1 H2O C 155 8.347 39.008 51.408 0.00 0.00 -ATOM 465 H2 H2O C 155 9.253 38.044 50.450 0.00 0.00 -ATOM 466 O1 H2O C 156 14.181 33.404 9.054 0.00 0.00 -ATOM 467 H1 H2O C 156 13.656 34.131 8.610 0.00 0.00 -ATOM 468 H2 H2O C 156 14.055 32.548 8.552 0.00 0.00 -ATOM 469 O1 H2O C 157 29.871 56.593 7.370 0.00 0.00 -ATOM 470 H1 H2O C 157 29.168 55.894 7.499 0.00 0.00 -ATOM 471 H2 H2O C 157 30.199 56.566 6.426 0.00 0.00 -ATOM 472 O1 H2O C 158 32.305 31.495 45.229 0.00 0.00 -ATOM 473 H1 H2O C 158 31.846 32.160 44.639 0.00 0.00 -ATOM 474 H2 H2O C 158 33.193 31.857 45.511 0.00 0.00 -ATOM 475 O1 H2O C 159 22.516 43.897 43.610 0.00 0.00 -ATOM 476 H1 H2O C 159 22.239 42.990 43.929 0.00 0.00 -ATOM 477 H2 H2O C 159 21.838 44.573 43.901 0.00 0.00 -ATOM 478 O1 H2O C 160 50.294 16.408 53.748 0.00 0.00 -ATOM 479 H1 H2O C 160 49.693 17.125 54.103 0.00 0.00 -ATOM 480 H2 H2O C 160 49.809 15.882 53.049 0.00 0.00 -ATOM 481 O1 H2O C 161 33.396 19.526 57.877 0.00 0.00 -ATOM 482 H1 H2O C 161 33.265 19.515 56.886 0.00 0.00 -ATOM 483 H2 H2O C 161 33.335 18.594 58.233 0.00 0.00 -ATOM 484 O1 H2O C 162 56.436 22.856 35.611 0.00 0.00 -ATOM 485 H1 H2O C 162 57.297 22.507 35.241 0.00 0.00 -ATOM 486 H2 H2O C 162 56.099 22.232 36.316 0.00 0.00 -ATOM 487 O1 H2O C 163 53.484 58.183 46.618 0.00 0.00 -ATOM 488 H1 H2O C 163 54.305 57.647 46.418 0.00 0.00 -ATOM 489 H2 H2O C 163 53.662 59.148 46.429 0.00 0.00 -ATOM 490 O1 H2O C 164 30.542 11.348 23.799 0.00 0.00 -ATOM 491 H1 H2O C 164 30.104 11.976 24.444 0.00 0.00 -ATOM 492 H2 H2O C 164 31.291 11.819 23.333 0.00 0.00 -ATOM 493 O1 H2O C 165 48.334 19.613 2.517 0.00 0.00 -ATOM 494 H1 H2O C 165 48.661 19.070 1.743 0.00 0.00 -ATOM 495 H2 H2O C 165 47.336 19.675 2.482 0.00 0.00 -ATOM 496 O1 H2O C 166 21.108 16.097 30.727 0.00 0.00 -ATOM 497 H1 H2O C 166 20.692 15.198 30.864 0.00 0.00 -ATOM 498 H2 H2O C 166 20.851 16.450 29.827 0.00 0.00 -ATOM 499 O1 H2O C 167 2.778 44.263 51.322 0.00 0.00 -ATOM 500 H1 H2O C 167 1.849 44.587 51.501 0.00 0.00 -ATOM 501 H2 H2O C 167 2.745 43.496 50.681 0.00 0.00 -ATOM 502 O1 H2O C 168 20.507 4.101 23.458 0.00 0.00 -ATOM 503 H1 H2O C 168 20.569 3.642 24.345 0.00 0.00 -ATOM 504 H2 H2O C 168 20.320 3.424 22.746 0.00 0.00 -ATOM 505 O1 H2O C 169 46.471 39.152 41.635 0.00 0.00 -ATOM 506 H1 H2O C 169 45.889 38.723 40.943 0.00 0.00 -ATOM 507 H2 H2O C 169 46.504 40.139 41.475 0.00 0.00 -ATOM 508 O1 H2O C 170 51.028 26.536 32.208 0.00 0.00 -ATOM 509 H1 H2O C 170 50.923 27.454 32.591 0.00 0.00 -ATOM 510 H2 H2O C 170 51.996 26.353 32.039 0.00 0.00 -ATOM 511 O1 H2O C 171 22.976 1.653 44.680 0.00 0.00 -ATOM 512 H1 H2O C 171 23.094 2.463 44.104 0.00 0.00 -ATOM 513 H2 H2O C 171 22.163 1.151 44.384 0.00 0.00 -ATOM 514 O1 H2O C 172 57.487 2.573 30.379 0.00 0.00 -ATOM 515 H1 H2O C 172 57.397 3.247 29.646 0.00 0.00 -ATOM 516 H2 H2O C 172 58.320 2.757 30.901 0.00 0.00 -ATOM 517 O1 H2O C 173 14.729 39.355 50.087 0.00 0.00 -ATOM 518 H1 H2O C 173 13.990 40.017 50.211 0.00 0.00 -ATOM 519 H2 H2O C 173 14.726 38.707 50.849 0.00 0.00 -ATOM 520 O1 H2O C 174 11.956 47.595 10.408 0.00 0.00 -ATOM 521 H1 H2O C 174 12.898 47.344 10.629 0.00 0.00 -ATOM 522 H2 H2O C 174 11.488 47.897 11.239 0.00 0.00 -ATOM 523 O1 H2O C 175 45.965 52.160 16.925 0.00 0.00 -ATOM 524 H1 H2O C 175 45.319 52.381 17.656 0.00 0.00 -ATOM 525 H2 H2O C 175 46.506 51.362 17.189 0.00 0.00 -ATOM 526 O1 H2O C 176 29.412 12.442 32.104 0.00 0.00 -ATOM 527 H1 H2O C 176 30.338 12.618 31.770 0.00 0.00 -ATOM 528 H2 H2O C 176 28.747 12.768 31.432 0.00 0.00 -ATOM 529 O1 H2O C 177 31.320 32.031 40.293 0.00 0.00 -ATOM 530 H1 H2O C 177 30.669 32.268 41.015 0.00 0.00 -ATOM 531 H2 H2O C 177 31.044 32.473 39.439 0.00 0.00 -ATOM 532 O1 H2O C 178 23.248 36.685 19.129 0.00 0.00 -ATOM 533 H1 H2O C 178 23.645 35.870 19.551 0.00 0.00 -ATOM 534 H2 H2O C 178 23.830 36.987 18.374 0.00 0.00 -ATOM 535 O1 H2O C 179 15.711 29.245 42.739 0.00 0.00 -ATOM 536 H1 H2O C 179 15.192 30.090 42.606 0.00 0.00 -ATOM 537 H2 H2O C 179 15.374 28.772 43.553 0.00 0.00 -ATOM 538 O1 H2O C 180 46.098 7.843 8.133 0.00 0.00 -ATOM 539 H1 H2O C 180 45.259 7.444 8.506 0.00 0.00 -ATOM 540 H2 H2O C 180 45.988 7.987 7.149 0.00 0.00 -ATOM 541 O1 H2O C 181 59.413 38.030 43.613 0.00 0.00 -ATOM 542 H1 H2O C 181 59.474 38.367 44.553 0.00 0.00 -ATOM 543 H2 H2O C 181 60.109 38.480 43.052 0.00 0.00 -ATOM 544 O1 H2O C 182 26.680 54.214 22.747 0.00 0.00 -ATOM 545 H1 H2O C 182 25.704 54.430 22.792 0.00 0.00 -ATOM 546 H2 H2O C 182 26.968 53.791 23.606 0.00 0.00 -ATOM 547 O1 H2O C 183 42.894 32.464 12.831 0.00 0.00 -ATOM 548 H1 H2O C 183 41.978 32.167 13.101 0.00 0.00 -ATOM 549 H2 H2O C 183 42.915 32.624 11.844 0.00 0.00 -ATOM 550 O1 H2O C 184 54.694 48.226 12.745 0.00 0.00 -ATOM 551 H1 H2O C 184 54.324 49.022 13.223 0.00 0.00 -ATOM 552 H2 H2O C 184 54.151 48.047 11.925 0.00 0.00 -ATOM 553 O1 H2O C 185 22.035 43.867 21.962 0.00 0.00 -ATOM 554 H1 H2O C 185 22.423 43.492 21.120 0.00 0.00 -ATOM 555 H2 H2O C 185 22.775 44.151 22.572 0.00 0.00 -ATOM 556 O1 H2O C 186 36.623 28.699 51.534 0.00 0.00 -ATOM 557 H1 H2O C 186 36.392 29.604 51.894 0.00 0.00 -ATOM 558 H2 H2O C 186 35.838 28.330 51.035 0.00 0.00 -ATOM 559 O1 H2O C 187 31.108 49.551 34.945 0.00 0.00 -ATOM 560 H1 H2O C 187 30.177 49.469 34.590 0.00 0.00 -ATOM 561 H2 H2O C 187 31.725 49.816 34.204 0.00 0.00 -ATOM 562 O1 H2O C 188 49.390 37.748 29.072 0.00 0.00 -ATOM 563 H1 H2O C 188 49.772 38.576 29.482 0.00 0.00 -ATOM 564 H2 H2O C 188 50.022 36.985 29.210 0.00 0.00 -ATOM 565 O1 H2O C 189 31.710 18.317 32.188 0.00 0.00 -ATOM 566 H1 H2O C 189 31.626 17.706 32.974 0.00 0.00 -ATOM 567 H2 H2O C 189 31.216 19.167 32.372 0.00 0.00 -ATOM 568 O1 H2O C 190 58.335 29.414 41.603 0.00 0.00 -ATOM 569 H1 H2O C 190 57.692 28.734 41.251 0.00 0.00 -ATOM 570 H2 H2O C 190 58.021 30.330 41.353 0.00 0.00 -ATOM 571 O1 H2O C 191 3.344 54.895 18.231 0.00 0.00 -ATOM 572 H1 H2O C 191 3.346 53.895 18.262 0.00 0.00 -ATOM 573 H2 H2O C 191 3.551 55.257 19.140 0.00 0.00 -ATOM 574 O1 H2O C 192 24.683 53.989 1.898 0.00 0.00 -ATOM 575 H1 H2O C 192 25.097 53.241 1.378 0.00 0.00 -ATOM 576 H2 H2O C 192 24.379 54.704 1.268 0.00 0.00 -ATOM 577 O1 H2O C 193 30.737 17.264 28.228 0.00 0.00 -ATOM 578 H1 H2O C 193 30.987 16.598 28.931 0.00 0.00 -ATOM 579 H2 H2O C 193 29.857 17.678 28.458 0.00 0.00 -ATOM 580 O1 H2O C 194 55.444 7.477 2.655 0.00 0.00 -ATOM 581 H1 H2O C 194 55.301 8.333 3.153 0.00 0.00 -ATOM 582 H2 H2O C 194 56.348 7.487 2.227 0.00 0.00 -ATOM 583 O1 H2O C 195 39.071 39.298 53.323 0.00 0.00 -ATOM 584 H1 H2O C 195 39.898 39.648 52.883 0.00 0.00 -ATOM 585 H2 H2O C 195 38.996 38.314 53.157 0.00 0.00 -ATOM 586 O1 H2O C 196 15.665 1.652 10.538 0.00 0.00 -ATOM 587 H1 H2O C 196 15.716 1.653 9.539 0.00 0.00 -ATOM 588 H2 H2O C 196 16.331 1.003 10.905 0.00 0.00 -ATOM 589 O1 H2O C 197 41.156 15.364 33.477 0.00 0.00 -ATOM 590 H1 H2O C 197 41.506 15.255 32.546 0.00 0.00 -ATOM 591 H2 H2O C 197 40.283 14.881 33.562 0.00 0.00 -ATOM 592 O1 H2O C 198 48.946 40.850 56.334 0.00 0.00 -ATOM 593 H1 H2O C 198 48.938 41.476 55.554 0.00 0.00 -ATOM 594 H2 H2O C 198 48.261 41.141 57.002 0.00 0.00 -ATOM 595 O1 H2O C 199 47.543 32.341 17.443 0.00 0.00 -ATOM 596 H1 H2O C 199 48.111 31.934 18.160 0.00 0.00 -ATOM 597 H2 H2O C 199 46.661 31.870 17.410 0.00 0.00 -ATOM 598 O1 H2O C 200 12.615 27.592 24.628 0.00 0.00 -ATOM 599 H1 H2O C 200 12.779 28.443 24.130 0.00 0.00 -ATOM 600 H2 H2O C 200 13.422 27.362 25.172 0.00 0.00 -ATOM 601 O1 H2O C 201 37.415 12.025 43.681 0.00 0.00 -ATOM 602 H1 H2O C 201 38.193 11.517 44.051 0.00 0.00 -ATOM 603 H2 H2O C 201 37.749 12.767 43.100 0.00 0.00 -ATOM 604 O1 H2O C 202 12.707 46.842 47.510 0.00 0.00 -ATOM 605 H1 H2O C 202 11.911 46.253 47.651 0.00 0.00 -ATOM 606 H2 H2O C 202 12.414 47.704 47.097 0.00 0.00 -ATOM 607 O1 H2O C 203 9.200 10.959 6.648 0.00 0.00 -ATOM 608 H1 H2O C 203 9.886 10.669 5.980 0.00 0.00 -ATOM 609 H2 H2O C 203 9.652 11.206 7.504 0.00 0.00 -ATOM 610 O1 H2O C 204 5.247 2.282 33.918 0.00 0.00 -ATOM 611 H1 H2O C 204 5.323 2.506 34.889 0.00 0.00 -ATOM 612 H2 H2O C 204 5.272 1.289 33.802 0.00 0.00 -ATOM 613 O1 H2O C 205 50.558 12.384 52.361 0.00 0.00 -ATOM 614 H1 H2O C 205 51.369 12.855 52.709 0.00 0.00 -ATOM 615 H2 H2O C 205 50.161 11.823 53.087 0.00 0.00 -ATOM 616 O1 H2O C 206 29.778 8.267 20.686 0.00 0.00 -ATOM 617 H1 H2O C 206 28.955 8.324 21.253 0.00 0.00 -ATOM 618 H2 H2O C 206 30.586 8.241 21.275 0.00 0.00 -ATOM 619 O1 H2O C 207 48.150 40.591 32.044 0.00 0.00 -ATOM 620 H1 H2O C 207 48.094 41.100 32.903 0.00 0.00 -ATOM 621 H2 H2O C 207 48.903 39.936 32.093 0.00 0.00 -ATOM 622 O1 H2O C 208 55.376 4.691 47.430 0.00 0.00 -ATOM 623 H1 H2O C 208 55.867 5.485 47.073 0.00 0.00 -ATOM 624 H2 H2O C 208 54.401 4.782 47.226 0.00 0.00 -ATOM 625 O1 H2O C 209 29.606 16.694 48.331 0.00 0.00 -ATOM 626 H1 H2O C 209 30.125 16.009 47.820 0.00 0.00 -ATOM 627 H2 H2O C 209 28.830 16.255 48.784 0.00 0.00 -ATOM 628 O1 H2O C 210 37.546 31.019 57.381 0.00 0.00 -ATOM 629 H1 H2O C 210 37.250 31.666 56.679 0.00 0.00 -ATOM 630 H2 H2O C 210 36.916 30.243 57.407 0.00 0.00 -ATOM 631 O1 H2O C 211 2.644 34.141 37.047 0.00 0.00 -ATOM 632 H1 H2O C 211 2.552 33.253 36.595 0.00 0.00 -ATOM 633 H2 H2O C 211 2.934 34.003 37.995 0.00 0.00 -ATOM 634 O1 H2O C 212 53.413 48.466 43.465 0.00 0.00 -ATOM 635 H1 H2O C 212 53.995 48.953 42.814 0.00 0.00 -ATOM 636 H2 H2O C 212 53.450 48.925 44.353 0.00 0.00 -ATOM 637 O1 H2O C 213 9.353 41.604 41.098 0.00 0.00 -ATOM 638 H1 H2O C 213 8.896 40.900 40.554 0.00 0.00 -ATOM 639 H2 H2O C 213 9.015 41.570 42.038 0.00 0.00 -ATOM 640 O1 H2O C 214 45.190 22.410 16.682 0.00 0.00 -ATOM 641 H1 H2O C 214 45.857 21.706 16.924 0.00 0.00 -ATOM 642 H2 H2O C 214 45.302 22.658 15.719 0.00 0.00 -ATOM 643 O1 H2O C 215 54.487 13.809 10.143 0.00 0.00 -ATOM 644 H1 H2O C 215 55.372 13.982 10.576 0.00 0.00 -ATOM 645 H2 H2O C 215 53.790 13.682 10.849 0.00 0.00 -ATOM 646 O1 H2O C 216 46.771 25.928 20.636 0.00 0.00 -ATOM 647 H1 H2O C 216 46.956 26.708 20.037 0.00 0.00 -ATOM 648 H2 H2O C 216 46.297 26.246 21.458 0.00 0.00 -ATOM 649 O1 H2O C 217 49.295 35.910 39.212 0.00 0.00 -ATOM 650 H1 H2O C 217 49.835 36.747 39.305 0.00 0.00 -ATOM 651 H2 H2O C 217 49.344 35.386 40.061 0.00 0.00 -ATOM 652 O1 H2O C 218 7.110 13.447 13.108 0.00 0.00 -ATOM 653 H1 H2O C 218 7.274 13.072 12.196 0.00 0.00 -ATOM 654 H2 H2O C 218 6.151 13.720 13.188 0.00 0.00 -ATOM 655 O1 H2O C 219 14.896 7.306 57.943 0.00 0.00 -ATOM 656 H1 H2O C 219 15.294 7.794 58.720 0.00 0.00 -ATOM 657 H2 H2O C 219 13.984 6.977 58.188 0.00 0.00 -ATOM 658 O1 H2O C 220 41.017 2.720 45.157 0.00 0.00 -ATOM 659 H1 H2O C 220 41.531 2.195 44.479 0.00 0.00 -ATOM 660 H2 H2O C 220 41.130 2.301 46.058 0.00 0.00 -ATOM 661 O1 H2O C 221 24.881 32.316 7.284 0.00 0.00 -ATOM 662 H1 H2O C 221 25.643 32.909 7.543 0.00 0.00 -ATOM 663 H2 H2O C 221 24.847 32.232 6.289 0.00 0.00 -ATOM 664 O1 H2O C 222 31.155 0.448 12.190 0.00 0.00 -ATOM 665 H1 H2O C 222 32.101 0.413 11.867 0.00 0.00 -ATOM 666 H2 H2O C 222 30.537 0.234 11.434 0.00 0.00 -ATOM 667 O1 H2O C 223 32.377 35.836 27.849 0.00 0.00 -ATOM 668 H1 H2O C 223 32.566 35.415 26.961 0.00 0.00 -ATOM 669 H2 H2O C 223 32.299 35.123 28.545 0.00 0.00 -ATOM 670 O1 H2O C 224 35.136 40.476 39.141 0.00 0.00 -ATOM 671 H1 H2O C 224 35.656 40.419 39.992 0.00 0.00 -ATOM 672 H2 H2O C 224 35.389 41.310 38.650 0.00 0.00 -ATOM 673 O1 H2O C 225 37.714 3.049 5.921 0.00 0.00 -ATOM 674 H1 H2O C 225 38.691 2.926 6.098 0.00 0.00 -ATOM 675 H2 H2O C 225 37.427 2.426 5.194 0.00 0.00 -ATOM 676 O1 H2O C 226 21.962 23.609 5.830 0.00 0.00 -ATOM 677 H1 H2O C 226 21.924 24.267 5.077 0.00 0.00 -ATOM 678 H2 H2O C 226 21.041 23.463 6.191 0.00 0.00 -ATOM 679 O1 H2O C 227 45.211 54.779 30.974 0.00 0.00 -ATOM 680 H1 H2O C 227 44.912 55.343 30.204 0.00 0.00 -ATOM 681 H2 H2O C 227 46.176 54.956 31.163 0.00 0.00 -ATOM 682 O1 H2O C 228 16.361 30.942 12.971 0.00 0.00 -ATOM 683 H1 H2O C 228 17.031 30.599 13.629 0.00 0.00 -ATOM 684 H2 H2O C 228 15.652 31.456 13.454 0.00 0.00 -ATOM 685 O1 H2O C 229 58.177 38.842 11.009 0.00 0.00 -ATOM 686 H1 H2O C 229 57.769 38.347 10.242 0.00 0.00 -ATOM 687 H2 H2O C 229 58.968 38.334 11.351 0.00 0.00 -ATOM 688 O1 H2O C 230 1.790 18.449 15.737 0.00 0.00 -ATOM 689 H1 H2O C 230 0.834 18.299 15.485 0.00 0.00 -ATOM 690 H2 H2O C 230 2.279 17.577 15.725 0.00 0.00 -ATOM 691 O1 H2O C 231 28.456 19.822 11.798 0.00 0.00 -ATOM 692 H1 H2O C 231 27.721 19.169 11.618 0.00 0.00 -ATOM 693 H2 H2O C 231 28.466 20.519 11.082 0.00 0.00 -ATOM 694 O1 H2O C 232 33.975 43.890 25.907 0.00 0.00 -ATOM 695 H1 H2O C 232 33.246 43.253 26.157 0.00 0.00 -ATOM 696 H2 H2O C 232 34.694 43.864 26.602 0.00 0.00 -ATOM 697 O1 H2O C 233 15.538 6.152 19.425 0.00 0.00 -ATOM 698 H1 H2O C 233 14.718 5.787 18.983 0.00 0.00 -ATOM 699 H2 H2O C 233 15.947 6.852 18.840 0.00 0.00 -ATOM 700 O1 H2O C 234 11.392 47.112 49.209 0.00 0.00 -ATOM 701 H1 H2O C 234 11.989 47.063 50.009 0.00 0.00 -ATOM 702 H2 H2O C 234 11.858 46.711 48.420 0.00 0.00 -ATOM 703 O1 H2O C 235 33.292 22.629 58.762 0.00 0.00 -ATOM 704 H1 H2O C 235 32.714 21.843 58.541 0.00 0.00 -ATOM 705 H2 H2O C 235 34.247 22.406 58.565 0.00 0.00 -ATOM 706 O1 H2O C 236 53.491 45.420 14.103 0.00 0.00 -ATOM 707 H1 H2O C 236 53.914 45.711 14.961 0.00 0.00 -ATOM 708 H2 H2O C 236 53.288 46.223 13.542 0.00 0.00 -ATOM 709 O1 H2O C 237 25.715 23.857 13.940 0.00 0.00 -ATOM 710 H1 H2O C 237 25.082 23.254 14.426 0.00 0.00 -ATOM 711 H2 H2O C 237 25.517 23.829 12.960 0.00 0.00 -ATOM 712 O1 H2O C 238 16.093 21.181 54.122 0.00 0.00 -ATOM 713 H1 H2O C 238 16.753 21.529 53.455 0.00 0.00 -ATOM 714 H2 H2O C 238 16.542 21.079 55.011 0.00 0.00 -ATOM 715 O1 H2O C 239 24.825 38.240 6.053 0.00 0.00 -ATOM 716 H1 H2O C 239 25.362 39.072 5.913 0.00 0.00 -ATOM 717 H2 H2O C 239 25.052 37.842 6.942 0.00 0.00 -ATOM 718 O1 H2O C 240 7.516 57.246 19.017 0.00 0.00 -ATOM 719 H1 H2O C 240 6.785 57.846 18.693 0.00 0.00 -ATOM 720 H2 H2O C 240 8.173 57.091 18.279 0.00 0.00 -ATOM 721 O1 H2O C 241 1.530 48.217 59.569 0.00 0.00 -ATOM 722 H1 H2O C 241 0.673 48.732 59.577 0.00 0.00 -ATOM 723 H2 H2O C 241 1.375 47.317 59.160 0.00 0.00 -ATOM 724 O1 H2O C 242 24.542 58.502 25.823 0.00 0.00 -ATOM 725 H1 H2O C 242 25.285 59.171 25.849 0.00 0.00 -ATOM 726 H2 H2O C 242 24.048 58.588 24.958 0.00 0.00 -ATOM 727 O1 H2O C 243 7.694 39.784 7.679 0.00 0.00 -ATOM 728 H1 H2O C 243 7.116 39.006 7.434 0.00 0.00 -ATOM 729 H2 H2O C 243 7.332 40.614 7.256 0.00 0.00 -ATOM 730 O1 H2O C 244 50.795 43.653 47.651 0.00 0.00 -ATOM 731 H1 H2O C 244 50.154 43.912 48.373 0.00 0.00 -ATOM 732 H2 H2O C 244 51.367 42.897 47.969 0.00 0.00 -ATOM 733 O1 H2O C 245 27.985 29.851 48.739 0.00 0.00 -ATOM 734 H1 H2O C 245 27.045 29.544 48.589 0.00 0.00 -ATOM 735 H2 H2O C 245 28.161 30.667 48.188 0.00 0.00 -ATOM 736 O1 H2O C 246 44.341 12.325 13.144 0.00 0.00 -ATOM 737 H1 H2O C 246 44.226 13.201 13.613 0.00 0.00 -ATOM 738 H2 H2O C 246 44.138 12.439 12.171 0.00 0.00 -ATOM 739 O1 H2O C 247 13.468 21.386 45.766 0.00 0.00 -ATOM 740 H1 H2O C 247 14.202 20.709 45.829 0.00 0.00 -ATOM 741 H2 H2O C 247 12.584 20.929 45.860 0.00 0.00 -ATOM 742 O1 H2O C 248 3.701 20.678 45.237 0.00 0.00 -ATOM 743 H1 H2O C 248 3.847 19.724 44.976 0.00 0.00 -ATOM 744 H2 H2O C 248 4.216 20.878 46.071 0.00 0.00 -ATOM 745 O1 H2O C 249 28.065 17.627 27.402 0.00 0.00 -ATOM 746 H1 H2O C 249 27.313 17.181 27.888 0.00 0.00 -ATOM 747 H2 H2O C 249 27.912 17.558 26.416 0.00 0.00 -ATOM 748 O1 H2O C 250 41.427 30.172 30.010 0.00 0.00 -ATOM 749 H1 H2O C 250 41.694 29.794 29.124 0.00 0.00 -ATOM 750 H2 H2O C 250 40.534 30.616 29.927 0.00 0.00 -ATOM 751 O1 H2O C 251 18.649 9.263 52.539 0.00 0.00 -ATOM 752 H1 H2O C 251 19.088 8.603 51.929 0.00 0.00 -ATOM 753 H2 H2O C 251 17.861 8.836 52.982 0.00 0.00 -ATOM 754 O1 H2O C 252 51.429 17.070 33.093 0.00 0.00 -ATOM 755 H1 H2O C 252 51.324 17.757 33.813 0.00 0.00 -ATOM 756 H2 H2O C 252 52.393 17.005 32.834 0.00 0.00 -ATOM 757 O1 H2O C 253 41.419 43.814 26.046 0.00 0.00 -ATOM 758 H1 H2O C 253 41.449 44.783 26.291 0.00 0.00 -ATOM 759 H2 H2O C 253 41.187 43.273 26.854 0.00 0.00 -ATOM 760 O1 H2O C 254 12.392 18.610 34.976 0.00 0.00 -ATOM 761 H1 H2O C 254 13.154 18.022 35.251 0.00 0.00 -ATOM 762 H2 H2O C 254 11.868 18.875 35.787 0.00 0.00 -ATOM 763 O1 H2O C 255 20.528 48.334 35.985 0.00 0.00 -ATOM 764 H1 H2O C 255 21.202 48.590 36.678 0.00 0.00 -ATOM 765 H2 H2O C 255 19.625 48.661 36.262 0.00 0.00 -ATOM 766 O1 H2O C 256 28.564 36.626 16.755 0.00 0.00 -ATOM 767 H1 H2O C 256 28.264 37.552 16.527 0.00 0.00 -ATOM 768 H2 H2O C 256 27.808 36.125 17.175 0.00 0.00 -ATOM 769 O1 H2O C 257 21.572 18.728 38.275 0.00 0.00 -ATOM 770 H1 H2O C 257 22.077 18.876 39.126 0.00 0.00 -ATOM 771 H2 H2O C 257 20.592 18.692 38.471 0.00 0.00 -ATOM 772 O1 H2O C 258 4.979 27.085 11.476 0.00 0.00 -ATOM 773 H1 H2O C 258 4.042 26.872 11.201 0.00 0.00 -ATOM 774 H2 H2O C 258 4.969 27.555 12.358 0.00 0.00 -ATOM 775 O1 H2O C 259 13.944 0.622 27.064 0.00 0.00 -ATOM 776 H1 H2O C 259 14.766 0.957 27.526 0.00 0.00 -ATOM 777 H2 H2O C 259 14.034 0.770 26.078 0.00 0.00 -ATOM 778 O1 H2O C 260 18.956 0.274 28.536 0.00 0.00 -ATOM 779 H1 H2O C 260 19.797 0.403 28.009 0.00 0.00 -ATOM 780 H2 H2O C 260 19.187 -0.006 29.468 0.00 0.00 -ATOM 781 O1 H2O C 261 40.176 14.256 11.266 0.00 0.00 -ATOM 782 H1 H2O C 261 39.432 13.597 11.370 0.00 0.00 -ATOM 783 H2 H2O C 261 41.049 13.769 11.224 0.00 0.00 -ATOM 784 O1 H2O C 262 12.952 34.125 40.240 0.00 0.00 -ATOM 785 H1 H2O C 262 12.690 33.160 40.229 0.00 0.00 -ATOM 786 H2 H2O C 262 12.185 34.683 39.921 0.00 0.00 -ATOM 787 O1 H2O C 263 29.862 20.076 50.900 0.00 0.00 -ATOM 788 H1 H2O C 263 28.949 20.331 50.581 0.00 0.00 -ATOM 789 H2 H2O C 263 30.550 20.566 50.366 0.00 0.00 -ATOM 790 O1 H2O C 264 8.656 30.125 18.028 0.00 0.00 -ATOM 791 H1 H2O C 264 8.048 30.601 18.663 0.00 0.00 -ATOM 792 H2 H2O C 264 8.775 29.178 18.326 0.00 0.00 -ATOM 793 O1 H2O C 265 11.041 50.438 35.202 0.00 0.00 -ATOM 794 H1 H2O C 265 11.979 50.770 35.101 0.00 0.00 -ATOM 795 H2 H2O C 265 10.650 50.266 34.298 0.00 0.00 -ATOM 796 O1 H2O C 266 18.038 33.754 29.310 0.00 0.00 -ATOM 797 H1 H2O C 266 18.915 33.998 28.896 0.00 0.00 -ATOM 798 H2 H2O C 266 17.758 32.849 28.989 0.00 0.00 -ATOM 799 O1 H2O C 267 53.341 54.379 22.511 0.00 0.00 -ATOM 800 H1 H2O C 267 52.604 54.819 21.995 0.00 0.00 -ATOM 801 H2 H2O C 267 54.038 54.047 21.875 0.00 0.00 -ATOM 802 O1 H2O C 268 0.910 24.456 20.233 0.00 0.00 -ATOM 803 H1 H2O C 268 0.995 24.258 19.257 0.00 0.00 -ATOM 804 H2 H2O C 268 1.759 24.868 20.565 0.00 0.00 -ATOM 805 O1 H2O C 269 55.242 33.037 43.558 0.00 0.00 -ATOM 806 H1 H2O C 269 55.416 33.766 44.220 0.00 0.00 -ATOM 807 H2 H2O C 269 54.446 33.275 43.001 0.00 0.00 -ATOM 808 O1 H2O C 270 23.271 46.796 41.749 0.00 0.00 -ATOM 809 H1 H2O C 270 23.010 45.894 42.094 0.00 0.00 -ATOM 810 H2 H2O C 270 22.673 47.046 40.986 0.00 0.00 -ATOM 811 O1 H2O C 271 15.549 59.384 54.563 0.00 0.00 -ATOM 812 H1 H2O C 271 14.638 58.973 54.541 0.00 0.00 -ATOM 813 H2 H2O C 271 15.949 59.260 55.471 0.00 0.00 -ATOM 814 O1 H2O C 272 43.568 30.660 33.163 0.00 0.00 -ATOM 815 H1 H2O C 272 42.963 31.085 32.489 0.00 0.00 -ATOM 816 H2 H2O C 272 44.347 31.262 33.338 0.00 0.00 -ATOM 817 O1 H2O C 273 21.187 44.139 33.382 0.00 0.00 -ATOM 818 H1 H2O C 273 21.910 44.793 33.162 0.00 0.00 -ATOM 819 H2 H2O C 273 20.365 44.634 33.664 0.00 0.00 -ATOM 820 O1 H2O C 274 2.651 32.601 44.084 0.00 0.00 -ATOM 821 H1 H2O C 274 3.207 32.685 43.256 0.00 0.00 -ATOM 822 H2 H2O C 274 2.580 33.495 44.529 0.00 0.00 -ATOM 823 O1 H2O C 275 3.407 40.891 33.918 0.00 0.00 -ATOM 824 H1 H2O C 275 2.529 40.413 33.885 0.00 0.00 -ATOM 825 H2 H2O C 275 3.409 41.632 33.247 0.00 0.00 -ATOM 826 O1 H2O C 276 33.843 45.203 41.047 0.00 0.00 -ATOM 827 H1 H2O C 276 33.771 44.305 41.481 0.00 0.00 -ATOM 828 H2 H2O C 276 33.269 45.225 40.229 0.00 0.00 -ATOM 829 O1 H2O C 277 38.035 5.931 51.129 0.00 0.00 -ATOM 830 H1 H2O C 277 38.820 6.517 51.328 0.00 0.00 -ATOM 831 H2 H2O C 277 37.201 6.364 51.471 0.00 0.00 -ATOM 832 O1 H2O C 278 41.863 46.980 25.180 0.00 0.00 -ATOM 833 H1 H2O C 278 41.889 46.843 24.190 0.00 0.00 -ATOM 834 H2 H2O C 278 41.919 47.958 25.382 0.00 0.00 -ATOM 835 O1 H2O C 279 8.776 35.532 4.248 0.00 0.00 -ATOM 836 H1 H2O C 279 8.334 35.894 3.428 0.00 0.00 -ATOM 837 H2 H2O C 279 9.485 36.168 4.553 0.00 0.00 -ATOM 838 O1 H2O C 280 21.627 38.003 49.767 0.00 0.00 -ATOM 839 H1 H2O C 280 21.286 38.566 49.014 0.00 0.00 -ATOM 840 H2 H2O C 280 22.599 37.813 49.628 0.00 0.00 -ATOM 841 O1 H2O C 281 30.703 54.696 4.373 0.00 0.00 -ATOM 842 H1 H2O C 281 29.712 54.711 4.246 0.00 0.00 -ATOM 843 H2 H2O C 281 30.965 53.856 4.848 0.00 0.00 -ATOM 844 O1 H2O C 282 39.322 14.188 18.478 0.00 0.00 -ATOM 845 H1 H2O C 282 39.423 13.196 18.548 0.00 0.00 -ATOM 846 H2 H2O C 282 39.089 14.434 17.537 0.00 0.00 -ATOM 847 O1 H2O C 283 5.697 3.800 20.399 0.00 0.00 -ATOM 848 H1 H2O C 283 5.687 3.492 21.351 0.00 0.00 -ATOM 849 H2 H2O C 283 5.013 4.519 20.274 0.00 0.00 -ATOM 850 O1 H2O C 284 28.014 43.406 0.940 0.00 0.00 -ATOM 851 H1 H2O C 284 27.778 44.368 0.802 0.00 0.00 -ATOM 852 H2 H2O C 284 28.902 43.217 0.520 0.00 0.00 -ATOM 853 O1 H2O C 285 51.971 7.094 20.617 0.00 0.00 -ATOM 854 H1 H2O C 285 52.761 6.688 21.079 0.00 0.00 -ATOM 855 H2 H2O C 285 51.405 7.573 21.289 0.00 0.00 -ATOM 856 O1 H2O C 286 10.986 49.416 12.872 0.00 0.00 -ATOM 857 H1 H2O C 286 11.558 49.894 12.206 0.00 0.00 -ATOM 858 H2 H2O C 286 10.313 50.052 13.250 0.00 0.00 -ATOM 859 O1 H2O C 287 14.081 53.804 31.280 0.00 0.00 -ATOM 860 H1 H2O C 287 14.631 53.121 30.798 0.00 0.00 -ATOM 861 H2 H2O C 287 14.688 54.463 31.726 0.00 0.00 -ATOM 862 O1 H2O C 288 23.933 33.055 14.681 0.00 0.00 -ATOM 863 H1 H2O C 288 23.321 33.218 15.454 0.00 0.00 -ATOM 864 H2 H2O C 288 24.041 33.900 14.157 0.00 0.00 -ATOM 865 O1 H2O C 289 56.635 52.999 57.353 0.00 0.00 -ATOM 866 H1 H2O C 289 55.712 53.375 57.444 0.00 0.00 -ATOM 867 H2 H2O C 289 56.977 53.179 56.430 0.00 0.00 -ATOM 868 O1 H2O C 290 5.136 26.624 25.147 0.00 0.00 -ATOM 869 H1 H2O C 290 4.232 26.730 25.561 0.00 0.00 -ATOM 870 H2 H2O C 290 5.613 25.859 25.580 0.00 0.00 -ATOM 871 O1 H2O C 291 41.221 48.368 56.505 0.00 0.00 -ATOM 872 H1 H2O C 291 42.198 48.546 56.621 0.00 0.00 -ATOM 873 H2 H2O C 291 41.064 47.382 56.464 0.00 0.00 -ATOM 874 O1 H2O C 292 52.483 55.221 37.681 0.00 0.00 -ATOM 875 H1 H2O C 292 53.336 54.711 37.571 0.00 0.00 -ATOM 876 H2 H2O C 292 51.821 54.659 38.176 0.00 0.00 -ATOM 877 O1 H2O C 293 17.058 54.324 57.640 0.00 0.00 -ATOM 878 H1 H2O C 293 16.574 54.275 56.766 0.00 0.00 -ATOM 879 H2 H2O C 293 16.919 53.472 58.146 0.00 0.00 -ATOM 880 O1 H2O C 294 15.696 58.005 43.756 0.00 0.00 -ATOM 881 H1 H2O C 294 15.781 57.131 43.277 0.00 0.00 -ATOM 882 H2 H2O C 294 14.867 57.997 44.317 0.00 0.00 -ATOM 883 O1 H2O C 295 56.983 45.619 3.362 0.00 0.00 -ATOM 884 H1 H2O C 295 57.294 46.556 3.207 0.00 0.00 -ATOM 885 H2 H2O C 295 57.230 45.335 4.289 0.00 0.00 -ATOM 886 O1 H2O C 296 8.192 35.282 44.292 0.00 0.00 -ATOM 887 H1 H2O C 296 7.887 35.553 45.205 0.00 0.00 -ATOM 888 H2 H2O C 296 8.633 34.386 44.340 0.00 0.00 -ATOM 889 O1 H2O C 297 28.446 28.014 52.307 0.00 0.00 -ATOM 890 H1 H2O C 297 28.358 27.073 52.633 0.00 0.00 -ATOM 891 H2 H2O C 297 28.069 28.082 51.382 0.00 0.00 -ATOM 892 O1 H2O C 298 8.625 19.597 0.749 0.00 0.00 -ATOM 893 H1 H2O C 298 9.423 20.024 0.321 0.00 0.00 -ATOM 894 H2 H2O C 298 8.727 19.626 1.744 0.00 0.00 -ATOM 895 O1 H2O C 299 54.427 30.664 29.947 0.00 0.00 -ATOM 896 H1 H2O C 299 54.950 31.375 30.415 0.00 0.00 -ATOM 897 H2 H2O C 299 53.533 31.026 29.683 0.00 0.00 -ATOM 898 O1 H2O C 300 47.558 42.444 1.832 0.00 0.00 -ATOM 899 H1 H2O C 300 47.333 41.493 1.624 0.00 0.00 -ATOM 900 H2 H2O C 300 48.523 42.611 1.628 0.00 0.00 -ATOM 901 O1 H2O C 301 27.676 21.489 57.974 0.00 0.00 -ATOM 902 H1 H2O C 301 27.181 21.785 57.158 0.00 0.00 -ATOM 903 H2 H2O C 301 28.533 22.000 58.048 0.00 0.00 -ATOM 904 O1 H2O C 302 15.238 26.963 43.173 0.00 0.00 -ATOM 905 H1 H2O C 302 15.371 27.954 43.176 0.00 0.00 -ATOM 906 H2 H2O C 302 14.958 26.662 44.084 0.00 0.00 -ATOM 907 O1 H2O C 303 39.860 58.142 22.955 0.00 0.00 -ATOM 908 H1 H2O C 303 39.923 58.027 21.963 0.00 0.00 -ATOM 909 H2 H2O C 303 40.630 58.695 23.275 0.00 0.00 -ATOM 910 O1 H2O C 304 58.537 45.368 49.074 0.00 0.00 -ATOM 911 H1 H2O C 304 57.718 45.814 48.713 0.00 0.00 -ATOM 912 H2 H2O C 304 58.453 45.269 50.065 0.00 0.00 -ATOM 913 O1 H2O C 305 10.217 18.513 43.623 0.00 0.00 -ATOM 914 H1 H2O C 305 10.159 19.384 44.113 0.00 0.00 -ATOM 915 H2 H2O C 305 9.427 18.420 43.016 0.00 0.00 -ATOM 916 O1 H2O C 306 18.708 3.408 52.599 0.00 0.00 -ATOM 917 H1 H2O C 306 19.430 2.753 52.376 0.00 0.00 -ATOM 918 H2 H2O C 306 18.123 3.027 53.316 0.00 0.00 -ATOM 919 O1 H2O C 307 54.011 40.295 20.518 0.00 0.00 -ATOM 920 H1 H2O C 307 54.212 40.057 19.568 0.00 0.00 -ATOM 921 H2 H2O C 307 54.763 39.993 21.104 0.00 0.00 -ATOM 922 O1 H2O C 308 0.670 2.180 19.114 0.00 0.00 -ATOM 923 H1 H2O C 308 1.414 1.727 19.604 0.00 0.00 -ATOM 924 H2 H2O C 308 1.034 2.954 18.596 0.00 0.00 -ATOM 925 O1 H2O C 309 8.041 55.366 11.043 0.00 0.00 -ATOM 926 H1 H2O C 309 8.034 56.209 10.505 0.00 0.00 -ATOM 927 H2 H2O C 309 8.985 55.064 11.178 0.00 0.00 -ATOM 928 O1 H2O C 310 57.450 1.367 48.526 0.00 0.00 -ATOM 929 H1 H2O C 310 56.736 1.410 49.225 0.00 0.00 -ATOM 930 H2 H2O C 310 58.329 1.165 48.959 0.00 0.00 -ATOM 931 O1 H2O C 311 29.407 32.575 37.492 0.00 0.00 -ATOM 932 H1 H2O C 311 29.238 31.591 37.455 0.00 0.00 -ATOM 933 H2 H2O C 311 29.628 32.840 38.431 0.00 0.00 -ATOM 934 O1 H2O C 312 39.901 55.042 6.056 0.00 0.00 -ATOM 935 H1 H2O C 312 38.907 55.150 6.020 0.00 0.00 -ATOM 936 H2 H2O C 312 40.176 54.804 6.988 0.00 0.00 -ATOM 937 O1 H2O C 313 57.755 9.556 10.577 0.00 0.00 -ATOM 938 H1 H2O C 313 57.180 10.367 10.465 0.00 0.00 -ATOM 939 H2 H2O C 313 58.589 9.662 10.036 0.00 0.00 -ATOM 940 O1 H2O C 314 55.912 5.886 9.934 0.00 0.00 -ATOM 941 H1 H2O C 314 55.792 6.614 9.259 0.00 0.00 -ATOM 942 H2 H2O C 314 56.259 5.065 9.480 0.00 0.00 -ATOM 943 O1 H2O C 315 53.211 17.368 1.550 0.00 0.00 -ATOM 944 H1 H2O C 315 52.243 17.309 1.792 0.00 0.00 -ATOM 945 H2 H2O C 315 53.317 17.942 0.738 0.00 0.00 -ATOM 946 O1 H2O C 316 9.133 24.609 9.592 0.00 0.00 -ATOM 947 H1 H2O C 316 8.269 24.122 9.461 0.00 0.00 -ATOM 948 H2 H2O C 316 9.878 23.948 9.679 0.00 0.00 -ATOM 949 O1 H2O C 317 16.547 21.523 2.250 0.00 0.00 -ATOM 950 H1 H2O C 317 17.448 21.494 1.818 0.00 0.00 -ATOM 951 H2 H2O C 317 16.120 20.621 2.194 0.00 0.00 -ATOM 952 O1 H2O C 318 24.898 30.615 54.634 0.00 0.00 -ATOM 953 H1 H2O C 318 24.592 30.282 55.525 0.00 0.00 -ATOM 954 H2 H2O C 318 24.709 31.595 54.562 0.00 0.00 -ATOM 955 O1 H2O C 319 27.631 29.382 20.073 0.00 0.00 -ATOM 956 H1 H2O C 319 28.171 29.341 20.913 0.00 0.00 -ATOM 957 H2 H2O C 319 28.244 29.431 19.284 0.00 0.00 -ATOM 958 O1 H2O C 320 14.132 13.513 4.799 0.00 0.00 -ATOM 959 H1 H2O C 320 13.940 13.880 5.709 0.00 0.00 -ATOM 960 H2 H2O C 320 14.489 14.242 4.214 0.00 0.00 -ATOM 961 O1 H2O C 321 7.270 5.045 30.478 0.00 0.00 -ATOM 962 H1 H2O C 321 8.234 4.899 30.254 0.00 0.00 -ATOM 963 H2 H2O C 321 7.202 5.524 31.354 0.00 0.00 -ATOM 964 O1 H2O C 322 4.358 8.414 24.968 0.00 0.00 -ATOM 965 H1 H2O C 322 3.664 8.782 25.586 0.00 0.00 -ATOM 966 H2 H2O C 322 4.276 7.418 24.930 0.00 0.00 -ATOM 967 O1 H2O C 323 23.528 10.119 15.767 0.00 0.00 -ATOM 968 H1 H2O C 323 22.700 9.990 16.314 0.00 0.00 -ATOM 969 H2 H2O C 323 24.325 10.143 16.370 0.00 0.00 -ATOM 970 O1 H2O C 324 10.515 56.190 29.610 0.00 0.00 -ATOM 971 H1 H2O C 324 10.038 55.946 30.455 0.00 0.00 -ATOM 972 H2 H2O C 324 10.595 55.381 29.027 0.00 0.00 -ATOM 973 O1 H2O C 325 3.343 12.456 51.033 0.00 0.00 -ATOM 974 H1 H2O C 325 3.110 12.775 51.952 0.00 0.00 -ATOM 975 H2 H2O C 325 2.515 12.139 50.571 0.00 0.00 -ATOM 976 O1 H2O C 326 52.705 12.736 28.733 0.00 0.00 -ATOM 977 H1 H2O C 326 53.154 12.375 27.916 0.00 0.00 -ATOM 978 H2 H2O C 326 52.197 12.003 29.185 0.00 0.00 -ATOM 979 O1 H2O C 327 4.630 33.215 59.900 0.00 0.00 -ATOM 980 H1 H2O C 327 5.567 33.541 59.779 0.00 0.00 -ATOM 981 H2 H2O C 327 4.088 33.451 59.093 0.00 0.00 -ATOM 982 O1 H2O C 328 6.155 44.706 20.574 0.00 0.00 -ATOM 983 H1 H2O C 328 6.872 44.573 19.890 0.00 0.00 -ATOM 984 H2 H2O C 328 5.489 43.964 20.507 0.00 0.00 -ATOM 985 O1 H2O C 329 31.222 35.345 15.383 0.00 0.00 -ATOM 986 H1 H2O C 329 31.236 35.768 14.477 0.00 0.00 -ATOM 987 H2 H2O C 329 31.870 34.584 15.406 0.00 0.00 -ATOM 988 O1 H2O C 330 7.158 51.109 37.498 0.00 0.00 -ATOM 989 H1 H2O C 330 7.462 50.159 37.431 0.00 0.00 -ATOM 990 H2 H2O C 330 6.179 51.132 37.704 0.00 0.00 -ATOM 991 O1 H2O C 331 37.194 58.575 20.020 0.00 0.00 -ATOM 992 H1 H2O C 331 37.121 59.295 20.711 0.00 0.00 -ATOM 993 H2 H2O C 331 36.293 58.170 19.865 0.00 0.00 -ATOM 994 O1 H2O C 332 48.843 56.964 5.827 0.00 0.00 -ATOM 995 H1 H2O C 332 49.368 57.443 5.124 0.00 0.00 -ATOM 996 H2 H2O C 332 47.908 56.816 5.503 0.00 0.00 -ATOM 997 O1 H2O C 333 7.654 2.617 28.899 0.00 0.00 -ATOM 998 H1 H2O C 333 7.825 2.161 28.025 0.00 0.00 -ATOM 999 H2 H2O C 333 7.304 3.539 28.730 0.00 0.00 -ATOM 1000 O1 H2O C 334 45.541 17.916 28.573 0.00 0.00 -ATOM 1001 H1 H2O C 334 45.381 16.945 28.751 0.00 0.00 -ATOM 1002 H2 H2O C 334 46.525 18.092 28.545 0.00 0.00 -ATOM 1003 O1 H2O C 335 1.273 40.322 14.024 0.00 0.00 -ATOM 1004 H1 H2O C 335 1.809 40.467 13.192 0.00 0.00 -ATOM 1005 H2 H2O C 335 0.333 40.628 13.871 0.00 0.00 -ATOM 1006 O1 H2O C 336 51.105 10.277 22.999 0.00 0.00 -ATOM 1007 H1 H2O C 336 50.315 10.282 22.386 0.00 0.00 -ATOM 1008 H2 H2O C 336 51.831 10.844 22.612 0.00 0.00 -ATOM 1009 O1 H2O C 337 0.568 15.001 11.428 0.00 0.00 -ATOM 1010 H1 H2O C 337 0.001 15.508 10.777 0.00 0.00 -ATOM 1011 H2 H2O C 337 -0.000 14.338 11.917 0.00 0.00 -ATOM 1012 O1 H2O C 338 49.989 51.814 -0.003 0.00 0.00 -ATOM 1013 H1 H2O C 338 49.903 52.480 0.740 0.00 0.00 -ATOM 1014 H2 H2O C 338 49.280 51.115 0.094 0.00 0.00 -ATOM 1015 O1 H2O C 339 19.695 -0.063 54.227 0.00 0.00 -ATOM 1016 H1 H2O C 339 19.087 0.714 54.391 0.00 0.00 -ATOM 1017 H2 H2O C 339 20.060 -0.011 53.297 0.00 0.00 -ATOM 1018 O1 H2O C 340 56.998 44.042 28.332 0.00 0.00 -ATOM 1019 H1 H2O C 340 56.004 44.150 28.328 0.00 0.00 -ATOM 1020 H2 H2O C 340 57.379 44.434 27.494 0.00 0.00 -ATOM 1021 O1 H2O C 341 21.575 5.129 37.201 0.00 0.00 -ATOM 1022 H1 H2O C 341 20.981 5.888 37.467 0.00 0.00 -ATOM 1023 H2 H2O C 341 22.021 5.343 36.331 0.00 0.00 -ATOM 1024 O1 H2O C 342 4.915 2.498 2.694 0.00 0.00 -ATOM 1025 H1 H2O C 342 4.412 3.162 2.141 0.00 0.00 -ATOM 1026 H2 H2O C 342 4.948 2.811 3.643 0.00 0.00 -ATOM 1027 O1 H2O C 343 54.656 38.281 5.712 0.00 0.00 -ATOM 1028 H1 H2O C 343 53.897 38.677 5.195 0.00 0.00 -ATOM 1029 H2 H2O C 343 54.751 38.760 6.584 0.00 0.00 -ATOM 1030 O1 H2O C 344 44.911 23.754 20.036 0.00 0.00 -ATOM 1031 H1 H2O C 344 44.457 23.288 20.795 0.00 0.00 -ATOM 1032 H2 H2O C 344 44.527 24.672 19.931 0.00 0.00 -ATOM 1033 O1 H2O C 345 18.168 0.561 12.000 0.00 0.00 -ATOM 1034 H1 H2O C 345 18.646 0.856 12.827 0.00 0.00 -ATOM 1035 H2 H2O C 345 17.465 1.232 11.764 0.00 0.00 -ATOM 1036 O1 H2O C 346 37.135 31.798 10.932 0.00 0.00 -ATOM 1037 H1 H2O C 346 37.993 32.102 10.515 0.00 0.00 -ATOM 1038 H2 H2O C 346 36.374 32.016 10.320 0.00 0.00 -ATOM 1039 O1 H2O C 347 44.140 43.005 8.379 0.00 0.00 -ATOM 1040 H1 H2O C 347 44.161 42.089 8.780 0.00 0.00 -ATOM 1041 H2 H2O C 347 43.799 43.657 9.056 0.00 0.00 -ATOM 1042 O1 H2O C 348 6.547 50.126 56.948 0.00 0.00 -ATOM 1043 H1 H2O C 348 7.379 50.425 56.482 0.00 0.00 -ATOM 1044 H2 H2O C 348 6.776 49.423 57.621 0.00 0.00 -ATOM 1045 O1 H2O C 349 23.461 9.620 31.873 0.00 0.00 -ATOM 1046 H1 H2O C 349 22.513 9.906 31.724 0.00 0.00 -ATOM 1047 H2 H2O C 349 24.020 10.422 32.086 0.00 0.00 -ATOM 1048 O1 H2O C 350 17.830 28.883 41.190 0.00 0.00 -ATOM 1049 H1 H2O C 350 17.854 29.881 41.245 0.00 0.00 -ATOM 1050 H2 H2O C 350 16.922 28.556 41.455 0.00 0.00 -ATOM 1051 O1 H2O C 351 56.692 48.902 17.895 0.00 0.00 -ATOM 1052 H1 H2O C 351 56.452 49.324 18.770 0.00 0.00 -ATOM 1053 H2 H2O C 351 56.530 47.916 17.945 0.00 0.00 -ATOM 1054 O1 H2O C 352 26.140 57.143 14.378 0.00 0.00 -ATOM 1055 H1 H2O C 352 26.589 56.267 14.557 0.00 0.00 -ATOM 1056 H2 H2O C 352 25.609 57.079 13.534 0.00 0.00 -ATOM 1057 O1 H2O C 353 35.494 33.990 38.449 0.00 0.00 -ATOM 1058 H1 H2O C 353 34.647 33.945 38.978 0.00 0.00 -ATOM 1059 H2 H2O C 353 35.307 34.392 37.553 0.00 0.00 -ATOM 1060 O1 H2O C 354 32.235 52.711 27.799 0.00 0.00 -ATOM 1061 H1 H2O C 354 32.972 52.276 28.316 0.00 0.00 -ATOM 1062 H2 H2O C 354 31.540 52.029 27.571 0.00 0.00 -ATOM 1063 O1 H2O C 355 29.222 27.594 41.723 0.00 0.00 -ATOM 1064 H1 H2O C 355 29.306 26.679 42.116 0.00 0.00 -ATOM 1065 H2 H2O C 355 29.450 28.277 42.417 0.00 0.00 -ATOM 1066 O1 H2O C 356 41.188 10.034 39.730 0.00 0.00 -ATOM 1067 H1 H2O C 356 40.664 9.665 38.962 0.00 0.00 -ATOM 1068 H2 H2O C 356 41.070 11.027 39.768 0.00 0.00 -ATOM 1069 O1 H2O C 357 24.784 28.016 5.844 0.00 0.00 -ATOM 1070 H1 H2O C 357 24.471 28.532 5.045 0.00 0.00 -ATOM 1071 H2 H2O C 357 24.763 27.037 5.636 0.00 0.00 -ATOM 1072 O1 H2O C 358 29.807 26.436 35.924 0.00 0.00 -ATOM 1073 H1 H2O C 358 29.843 27.139 35.214 0.00 0.00 -ATOM 1074 H2 H2O C 358 30.128 26.819 36.789 0.00 0.00 -ATOM 1075 O1 H2O C 359 11.693 41.100 6.442 0.00 0.00 -ATOM 1076 H1 H2O C 359 10.963 41.645 6.028 0.00 0.00 -ATOM 1077 H2 H2O C 359 11.416 40.817 7.361 0.00 0.00 -ATOM 1078 O1 H2O C 360 16.229 37.222 32.991 0.00 0.00 -ATOM 1079 H1 H2O C 360 16.406 36.627 32.206 0.00 0.00 -ATOM 1080 H2 H2O C 360 15.310 37.043 33.344 0.00 0.00 -ATOM 1081 O1 H2O C 361 14.076 44.002 8.365 0.00 0.00 -ATOM 1082 H1 H2O C 361 14.999 43.618 8.323 0.00 0.00 -ATOM 1083 H2 H2O C 361 13.929 44.602 7.579 0.00 0.00 -ATOM 1084 O1 H2O C 362 36.631 29.205 23.447 0.00 0.00 -ATOM 1085 H1 H2O C 362 37.034 28.769 24.251 0.00 0.00 -ATOM 1086 H2 H2O C 362 35.772 29.648 23.703 0.00 0.00 -ATOM 1087 O1 H2O C 363 43.584 11.615 46.549 0.00 0.00 -ATOM 1088 H1 H2O C 363 44.399 11.404 46.009 0.00 0.00 -ATOM 1089 H2 H2O C 363 43.860 12.014 47.424 0.00 0.00 -ATOM 1090 O1 H2O C 364 48.568 28.424 16.712 0.00 0.00 -ATOM 1091 H1 H2O C 364 47.869 28.106 16.071 0.00 0.00 -ATOM 1092 H2 H2O C 364 49.074 29.184 16.304 0.00 0.00 -ATOM 1093 O1 H2O C 365 41.507 36.164 8.904 0.00 0.00 -ATOM 1094 H1 H2O C 365 41.851 35.725 8.074 0.00 0.00 -ATOM 1095 H2 H2O C 365 41.482 37.155 8.770 0.00 0.00 -ATOM 1096 O1 H2O C 366 4.099 39.780 51.063 0.00 0.00 -ATOM 1097 H1 H2O C 366 4.217 39.307 51.936 0.00 0.00 -ATOM 1098 H2 H2O C 366 3.811 39.124 50.365 0.00 0.00 -ATOM 1099 O1 H2O C 367 15.274 22.670 54.293 0.00 0.00 -ATOM 1100 H1 H2O C 367 14.341 22.808 53.960 0.00 0.00 -ATOM 1101 H2 H2O C 367 15.329 22.941 55.253 0.00 0.00 -ATOM 1102 O1 H2O C 368 18.075 5.933 27.701 0.00 0.00 -ATOM 1103 H1 H2O C 368 18.715 6.435 28.283 0.00 0.00 -ATOM 1104 H2 H2O C 368 17.595 6.575 27.103 0.00 0.00 -ATOM 1105 O1 H2O C 369 7.904 0.982 42.274 0.00 0.00 -ATOM 1106 H1 H2O C 369 8.171 1.912 42.527 0.00 0.00 -ATOM 1107 H2 H2O C 369 8.723 0.435 42.102 0.00 0.00 -ATOM 1108 O1 H2O C 370 13.245 21.460 49.414 0.00 0.00 -ATOM 1109 H1 H2O C 370 12.456 22.022 49.167 0.00 0.00 -ATOM 1110 H2 H2O C 370 13.056 20.504 49.192 0.00 0.00 -ATOM 1111 O1 H2O C 371 60.284 16.991 41.675 0.00 0.00 -ATOM 1112 H1 H2O C 371 59.428 16.493 41.816 0.00 0.00 -ATOM 1113 H2 H2O C 371 60.112 17.974 41.741 0.00 0.00 -ATOM 1114 O1 H2O C 372 41.119 13.454 34.923 0.00 0.00 -ATOM 1115 H1 H2O C 372 40.990 14.342 34.482 0.00 0.00 -ATOM 1116 H2 H2O C 372 41.239 12.749 34.225 0.00 0.00 -ATOM 1117 O1 H2O C 373 48.138 2.883 6.773 0.00 0.00 -ATOM 1118 H1 H2O C 373 49.089 3.163 6.647 0.00 0.00 -ATOM 1119 H2 H2O C 373 47.681 3.521 7.393 0.00 0.00 -ATOM 1120 O1 H2O C 374 5.170 57.008 2.951 0.00 0.00 -ATOM 1121 H1 H2O C 374 4.394 57.634 3.036 0.00 0.00 -ATOM 1122 H2 H2O C 374 4.836 56.066 2.928 0.00 0.00 -ATOM 1123 O1 H2O C 375 30.652 23.507 39.512 0.00 0.00 -ATOM 1124 H1 H2O C 375 30.636 24.086 38.697 0.00 0.00 -ATOM 1125 H2 H2O C 375 29.714 23.326 39.810 0.00 0.00 -ATOM 1126 O1 H2O C 376 40.565 14.045 34.142 0.00 0.00 -ATOM 1127 H1 H2O C 376 41.522 14.168 34.406 0.00 0.00 -ATOM 1128 H2 H2O C 376 40.521 13.661 33.219 0.00 0.00 -ATOM 1129 O1 H2O C 377 1.692 5.918 23.558 0.00 0.00 -ATOM 1130 H1 H2O C 377 1.918 5.005 23.219 0.00 0.00 -ATOM 1131 H2 H2O C 377 0.945 6.301 23.014 0.00 0.00 -ATOM 1132 O1 H2O C 378 22.985 55.489 31.713 0.00 0.00 -ATOM 1133 H1 H2O C 378 23.714 56.084 32.052 0.00 0.00 -ATOM 1134 H2 H2O C 378 22.292 56.041 31.250 0.00 0.00 -ATOM 1135 O1 H2O C 379 4.412 58.633 24.211 0.00 0.00 -ATOM 1136 H1 H2O C 379 5.060 58.840 23.477 0.00 0.00 -ATOM 1137 H2 H2O C 379 3.901 57.805 23.981 0.00 0.00 -ATOM 1138 O1 H2O C 380 42.786 50.437 33.409 0.00 0.00 -ATOM 1139 H1 H2O C 380 43.048 51.315 33.009 0.00 0.00 -ATOM 1140 H2 H2O C 380 41.869 50.509 33.800 0.00 0.00 -ATOM 1141 O1 H2O C 381 48.464 39.420 52.486 0.00 0.00 -ATOM 1142 H1 H2O C 381 48.401 39.384 53.483 0.00 0.00 -ATOM 1143 H2 H2O C 381 48.733 38.522 52.137 0.00 0.00 -ATOM 1144 O1 H2O C 382 43.362 3.218 33.687 0.00 0.00 -ATOM 1145 H1 H2O C 382 43.178 2.543 32.972 0.00 0.00 -ATOM 1146 H2 H2O C 382 43.041 2.868 34.567 0.00 0.00 -ATOM 1147 O1 H2O C 383 36.391 6.403 6.648 0.00 0.00 -ATOM 1148 H1 H2O C 383 36.479 6.117 7.602 0.00 0.00 -ATOM 1149 H2 H2O C 383 37.258 6.791 6.335 0.00 0.00 -ATOM 1150 O1 H2O C 384 38.495 20.008 21.225 0.00 0.00 -ATOM 1151 H1 H2O C 384 39.320 20.565 21.322 0.00 0.00 -ATOM 1152 H2 H2O C 384 37.844 20.249 21.945 0.00 0.00 -ATOM 1153 O1 H2O C 385 0.490 50.203 31.657 0.00 0.00 -ATOM 1154 H1 H2O C 385 0.616 50.855 32.405 0.00 0.00 -ATOM 1155 H2 H2O C 385 0.798 50.615 30.800 0.00 0.00 -ATOM 1156 O1 H2O C 386 41.554 41.111 53.019 0.00 0.00 -ATOM 1157 H1 H2O C 386 41.142 41.897 52.558 0.00 0.00 -ATOM 1158 H2 H2O C 386 42.400 40.856 52.550 0.00 0.00 -ATOM 1159 O1 H2O C 387 55.347 44.718 33.835 0.00 0.00 -ATOM 1160 H1 H2O C 387 54.943 43.804 33.783 0.00 0.00 -ATOM 1161 H2 H2O C 387 56.066 44.725 34.531 0.00 0.00 -ATOM 1162 O1 H2O C 388 33.659 18.132 37.995 0.00 0.00 -ATOM 1163 H1 H2O C 388 32.906 18.118 38.653 0.00 0.00 -ATOM 1164 H2 H2O C 388 33.778 17.218 37.606 0.00 0.00 -ATOM 1165 O1 H2O C 389 5.845 49.634 21.085 0.00 0.00 -ATOM 1166 H1 H2O C 389 5.604 49.886 20.148 0.00 0.00 -ATOM 1167 H2 H2O C 389 5.158 49.997 21.715 0.00 0.00 -ATOM 1168 O1 H2O C 390 14.837 29.155 38.936 0.00 0.00 -ATOM 1169 H1 H2O C 390 14.750 29.542 38.018 0.00 0.00 -ATOM 1170 H2 H2O C 390 14.759 29.885 39.615 0.00 0.00 -ATOM 1171 O1 H2O C 391 44.941 37.152 58.088 0.00 0.00 -ATOM 1172 H1 H2O C 391 45.147 37.633 57.236 0.00 0.00 -ATOM 1173 H2 H2O C 391 45.545 36.360 58.178 0.00 0.00 -ATOM 1174 O1 H2O C 392 56.697 59.253 13.440 0.00 0.00 -ATOM 1175 H1 H2O C 392 55.836 59.756 13.366 0.00 0.00 -ATOM 1176 H2 H2O C 392 57.424 59.766 12.984 0.00 0.00 -ATOM 1177 O1 H2O C 393 21.683 28.212 24.321 0.00 0.00 -ATOM 1178 H1 H2O C 393 21.328 28.959 23.759 0.00 0.00 -ATOM 1179 H2 H2O C 393 22.664 28.341 24.467 0.00 0.00 -ATOM 1180 O1 H2O C 394 25.328 42.255 24.162 0.00 0.00 -ATOM 1181 H1 H2O C 394 25.232 41.259 24.174 0.00 0.00 -ATOM 1182 H2 H2O C 394 24.508 42.663 23.760 0.00 0.00 -ATOM 1183 O1 H2O C 395 16.532 49.937 20.456 0.00 0.00 -ATOM 1184 H1 H2O C 395 17.145 49.149 20.508 0.00 0.00 -ATOM 1185 H2 H2O C 395 16.360 50.164 19.498 0.00 0.00 -ATOM 1186 O1 H2O C 396 36.190 33.373 39.949 0.00 0.00 -ATOM 1187 H1 H2O C 396 36.201 32.469 39.521 0.00 0.00 -ATOM 1188 H2 H2O C 396 36.167 34.078 39.241 0.00 0.00 -ATOM 1189 O1 H2O C 397 10.576 40.399 35.194 0.00 0.00 -ATOM 1190 H1 H2O C 397 10.900 40.802 36.050 0.00 0.00 -ATOM 1191 H2 H2O C 397 9.970 41.046 34.730 0.00 0.00 -ATOM 1192 O1 H2O C 398 33.330 7.295 39.831 0.00 0.00 -ATOM 1193 H1 H2O C 398 33.672 6.641 40.505 0.00 0.00 -ATOM 1194 H2 H2O C 398 33.694 8.204 40.034 0.00 0.00 -ATOM 1195 O1 H2O C 399 38.267 22.158 40.378 0.00 0.00 -ATOM 1196 H1 H2O C 399 38.868 21.856 41.118 0.00 0.00 -ATOM 1197 H2 H2O C 399 37.837 23.025 40.630 0.00 0.00 -ATOM 1198 O1 H2O C 400 46.971 34.711 29.174 0.00 0.00 -ATOM 1199 H1 H2O C 400 46.932 33.718 29.065 0.00 0.00 -ATOM 1200 H2 H2O C 400 46.430 35.147 28.454 0.00 0.00 -ATOM 1201 O1 H2O C 401 9.960 15.369 43.474 0.00 0.00 -ATOM 1202 H1 H2O C 401 10.673 14.675 43.360 0.00 0.00 -ATOM 1203 H2 H2O C 401 9.744 15.773 42.585 0.00 0.00 -ATOM 1204 O1 H2O C 402 44.324 54.838 58.039 0.00 0.00 -ATOM 1205 H1 H2O C 402 43.651 54.162 57.736 0.00 0.00 -ATOM 1206 H2 H2O C 402 44.923 54.427 58.726 0.00 0.00 -ATOM 1207 O1 H2O C 403 16.859 25.144 17.461 0.00 0.00 -ATOM 1208 H1 H2O C 403 15.944 25.363 17.799 0.00 0.00 -ATOM 1209 H2 H2O C 403 17.510 25.172 18.221 0.00 0.00 -ATOM 1210 O1 H2O C 404 49.012 1.203 6.762 0.00 0.00 -ATOM 1211 H1 H2O C 404 48.345 1.222 6.017 0.00 0.00 -ATOM 1212 H2 H2O C 404 48.844 1.974 7.378 0.00 0.00 -ATOM 1213 O1 H2O C 405 5.278 35.472 3.023 0.00 0.00 -ATOM 1214 H1 H2O C 405 5.743 36.137 3.608 0.00 0.00 -ATOM 1215 H2 H2O C 405 5.073 34.649 3.553 0.00 0.00 -ATOM 1216 O1 H2O C 406 33.550 43.920 6.730 0.00 0.00 -ATOM 1217 H1 H2O C 406 33.553 44.269 7.667 0.00 0.00 -ATOM 1218 H2 H2O C 406 32.780 44.314 6.229 0.00 0.00 -ATOM 1219 O1 H2O C 407 5.250 12.913 17.749 0.00 0.00 -ATOM 1220 H1 H2O C 407 4.617 13.172 18.479 0.00 0.00 -ATOM 1221 H2 H2O C 407 5.684 12.042 17.978 0.00 0.00 -ATOM 1222 O1 H2O C 408 56.873 4.844 11.655 0.00 0.00 -ATOM 1223 H1 H2O C 408 56.279 4.039 11.632 0.00 0.00 -ATOM 1224 H2 H2O C 408 57.123 5.046 12.602 0.00 0.00 -ATOM 1225 O1 H2O C 409 26.474 46.868 56.639 0.00 0.00 -ATOM 1226 H1 H2O C 409 26.657 46.658 57.599 0.00 0.00 -ATOM 1227 H2 H2O C 409 26.444 47.860 56.514 0.00 0.00 -ATOM 1228 O1 H2O C 410 58.590 59.135 7.560 0.00 0.00 -ATOM 1229 H1 H2O C 410 58.083 58.707 8.308 0.00 0.00 -ATOM 1230 H2 H2O C 410 59.277 58.495 7.214 0.00 0.00 -ATOM 1231 O1 H2O C 411 12.563 30.005 49.654 0.00 0.00 -ATOM 1232 H1 H2O C 411 12.950 30.758 49.120 0.00 0.00 -ATOM 1233 H2 H2O C 411 12.611 30.230 50.628 0.00 0.00 -ATOM 1234 O1 H2O C 412 19.682 21.609 6.629 0.00 0.00 -ATOM 1235 H1 H2O C 412 19.633 22.123 7.485 0.00 0.00 -ATOM 1236 H2 H2O C 412 20.209 22.130 5.957 0.00 0.00 -ATOM 1237 O1 H2O C 413 12.962 30.578 53.155 0.00 0.00 -ATOM 1238 H1 H2O C 413 12.446 31.388 52.874 0.00 0.00 -ATOM 1239 H2 H2O C 413 12.938 30.498 54.152 0.00 0.00 -ATOM 1240 O1 H2O C 414 13.478 38.758 25.934 0.00 0.00 -ATOM 1241 H1 H2O C 414 13.464 38.941 24.951 0.00 0.00 -ATOM 1242 H2 H2O C 414 13.538 39.622 26.434 0.00 0.00 -ATOM 1243 O1 H2O C 415 7.035 19.135 2.883 0.00 0.00 -ATOM 1244 H1 H2O C 415 7.012 18.273 3.390 0.00 0.00 -ATOM 1245 H2 H2O C 415 7.044 18.944 1.902 0.00 0.00 -ATOM 1246 O1 H2O C 416 29.941 20.886 16.757 0.00 0.00 -ATOM 1247 H1 H2O C 416 29.318 20.351 16.187 0.00 0.00 -ATOM 1248 H2 H2O C 416 30.054 20.433 17.642 0.00 0.00 -ATOM 1249 O1 H2O C 417 26.088 13.068 53.565 0.00 0.00 -ATOM 1250 H1 H2O C 417 26.292 12.236 54.080 0.00 0.00 -ATOM 1251 H2 H2O C 417 26.572 13.046 52.690 0.00 0.00 -ATOM 1252 O1 H2O C 418 37.542 28.726 23.762 0.00 0.00 -ATOM 1253 H1 H2O C 418 36.675 29.225 23.791 0.00 0.00 -ATOM 1254 H2 H2O C 418 38.279 29.322 24.083 0.00 0.00 -ATOM 1255 O1 H2O C 419 0.075 49.902 48.267 0.00 0.00 -ATOM 1256 H1 H2O C 419 -0.809 50.353 48.392 0.00 0.00 -ATOM 1257 H2 H2O C 419 0.797 50.470 48.662 0.00 0.00 -ATOM 1258 O1 H2O C 420 25.001 3.560 29.641 0.00 0.00 -ATOM 1259 H1 H2O C 420 24.826 4.190 28.884 0.00 0.00 -ATOM 1260 H2 H2O C 420 24.143 3.363 30.115 0.00 0.00 -ATOM 1261 O1 H2O C 421 6.390 26.908 26.551 0.00 0.00 -ATOM 1262 H1 H2O C 421 6.726 27.775 26.920 0.00 0.00 -ATOM 1263 H2 H2O C 421 6.566 26.876 25.566 0.00 0.00 -ATOM 1264 O1 H2O C 422 26.489 45.515 25.687 0.00 0.00 -ATOM 1265 H1 H2O C 422 26.583 45.225 24.735 0.00 0.00 -ATOM 1266 H2 H2O C 422 25.769 44.979 26.129 0.00 0.00 -ATOM 1267 O1 H2O C 423 32.717 19.916 40.615 0.00 0.00 -ATOM 1268 H1 H2O C 423 32.229 20.773 40.780 0.00 0.00 -ATOM 1269 H2 H2O C 423 32.088 19.245 40.223 0.00 0.00 -ATOM 1270 O1 H2O C 424 28.836 24.428 1.675 0.00 0.00 -ATOM 1271 H1 H2O C 424 28.245 24.901 2.330 0.00 0.00 -ATOM 1272 H2 H2O C 424 29.706 24.917 1.599 0.00 0.00 -ATOM 1273 O1 H2O C 425 0.481 44.978 14.867 0.00 0.00 -ATOM 1274 H1 H2O C 425 -0.000 44.320 15.447 0.00 0.00 -ATOM 1275 H2 H2O C 425 -0.031 45.107 14.017 0.00 0.00 -ATOM 1276 O1 H2O C 426 17.345 4.775 8.943 0.00 0.00 -ATOM 1277 H1 H2O C 426 17.452 5.309 9.782 0.00 0.00 -ATOM 1278 H2 H2O C 426 18.205 4.778 8.434 0.00 0.00 -ATOM 1279 O1 H2O C 427 16.641 51.741 29.492 0.00 0.00 -ATOM 1280 H1 H2O C 427 17.373 51.069 29.379 0.00 0.00 -ATOM 1281 H2 H2O C 427 15.986 51.650 28.742 0.00 0.00 -ATOM 1282 O1 H2O C 428 19.825 17.760 13.028 0.00 0.00 -ATOM 1283 H1 H2O C 428 20.727 17.606 13.432 0.00 0.00 -ATOM 1284 H2 H2O C 428 19.923 18.297 12.189 0.00 0.00 -ATOM 1285 O1 H2O C 429 37.419 57.380 23.560 0.00 0.00 -ATOM 1286 H1 H2O C 429 36.945 56.773 24.198 0.00 0.00 -ATOM 1287 H2 H2O C 429 38.210 57.790 24.015 0.00 0.00 -ATOM 1288 O1 H2O C 430 9.008 57.654 21.537 0.00 0.00 -ATOM 1289 H1 H2O C 430 8.394 57.596 22.325 0.00 0.00 -ATOM 1290 H2 H2O C 430 9.770 58.264 21.753 0.00 0.00 -ATOM 1291 O1 H2O C 431 8.171 54.024 49.149 0.00 0.00 -ATOM 1292 H1 H2O C 431 8.714 54.259 49.955 0.00 0.00 -ATOM 1293 H2 H2O C 431 8.734 53.501 48.509 0.00 0.00 -ATOM 1294 O1 H2O C 432 33.940 42.327 25.954 0.00 0.00 -ATOM 1295 H1 H2O C 432 33.212 41.767 25.559 0.00 0.00 -ATOM 1296 H2 H2O C 432 34.772 42.224 25.409 0.00 0.00 -ATOM 1297 O1 H2O C 433 16.409 44.231 7.273 0.00 0.00 -ATOM 1298 H1 H2O C 433 15.985 44.737 8.025 0.00 0.00 -ATOM 1299 H2 H2O C 433 16.810 44.875 6.622 0.00 0.00 -ATOM 1300 O1 H2O C 434 1.624 13.431 49.151 0.00 0.00 -ATOM 1301 H1 H2O C 434 0.906 13.446 48.455 0.00 0.00 -ATOM 1302 H2 H2O C 434 1.240 13.706 50.032 0.00 0.00 -ATOM 1303 O1 H2O C 435 44.801 25.224 2.632 0.00 0.00 -ATOM 1304 H1 H2O C 435 45.094 25.120 1.681 0.00 0.00 -ATOM 1305 H2 H2O C 435 43.948 25.743 2.663 0.00 0.00 -ATOM 1306 O1 H2O C 436 17.842 4.951 57.969 0.00 0.00 -ATOM 1307 H1 H2O C 436 17.157 5.666 58.110 0.00 0.00 -ATOM 1308 H2 H2O C 436 17.403 4.141 57.580 0.00 0.00 -ATOM 1309 O1 H2O C 437 37.939 2.957 42.400 0.00 0.00 -ATOM 1310 H1 H2O C 437 37.034 2.607 42.646 0.00 0.00 -ATOM 1311 H2 H2O C 437 38.491 3.061 43.228 0.00 0.00 -ATOM 1312 O1 H2O C 438 20.495 28.616 17.833 0.00 0.00 -ATOM 1313 H1 H2O C 438 20.566 27.633 17.665 0.00 0.00 -ATOM 1314 H2 H2O C 438 19.999 29.048 17.079 0.00 0.00 -ATOM 1315 O1 H2O C 439 45.505 12.668 29.458 0.00 0.00 -ATOM 1316 H1 H2O C 439 45.206 11.714 29.422 0.00 0.00 -ATOM 1317 H2 H2O C 439 45.885 12.931 28.570 0.00 0.00 -ATOM 1318 O1 H2O C 440 19.188 48.338 52.895 0.00 0.00 -ATOM 1319 H1 H2O C 440 18.992 49.027 52.198 0.00 0.00 -ATOM 1320 H2 H2O C 440 18.412 48.267 53.522 0.00 0.00 -ATOM 1321 O1 H2O C 441 31.727 41.230 18.590 0.00 0.00 -ATOM 1322 H1 H2O C 441 31.739 41.389 19.577 0.00 0.00 -ATOM 1323 H2 H2O C 441 32.658 41.055 18.269 0.00 0.00 -ATOM 1324 O1 H2O C 442 38.727 0.602 38.894 0.00 0.00 -ATOM 1325 H1 H2O C 442 38.925 1.547 39.154 0.00 0.00 -ATOM 1326 H2 H2O C 442 38.662 0.036 39.715 0.00 0.00 -ATOM 1327 O1 H2O C 443 50.965 38.248 22.878 0.00 0.00 -ATOM 1328 H1 H2O C 443 50.711 38.910 23.583 0.00 0.00 -ATOM 1329 H2 H2O C 443 51.724 37.685 23.207 0.00 0.00 -ATOM 1330 O1 H2O C 444 42.066 29.067 25.804 0.00 0.00 -ATOM 1331 H1 H2O C 444 41.853 29.111 24.828 0.00 0.00 -ATOM 1332 H2 H2O C 444 42.728 29.781 26.034 0.00 0.00 -ATOM 1333 O1 H2O C 445 38.558 20.292 3.680 0.00 0.00 -ATOM 1334 H1 H2O C 445 38.328 19.653 2.945 0.00 0.00 -ATOM 1335 H2 H2O C 445 39.310 20.881 3.386 0.00 0.00 -ATOM 1336 O1 H2O C 446 28.209 13.498 41.975 0.00 0.00 -ATOM 1337 H1 H2O C 446 28.493 14.206 41.329 0.00 0.00 -ATOM 1338 H2 H2O C 446 28.065 13.906 42.876 0.00 0.00 -ATOM 1339 O1 H2O C 447 57.242 53.537 6.956 0.00 0.00 -ATOM 1340 H1 H2O C 447 57.197 53.752 5.980 0.00 0.00 -ATOM 1341 H2 H2O C 447 58.183 53.308 7.204 0.00 0.00 -ATOM 1342 O1 H2O C 448 53.706 16.729 3.553 0.00 0.00 -ATOM 1343 H1 H2O C 448 53.090 16.109 3.067 0.00 0.00 -ATOM 1344 H2 H2O C 448 53.749 17.603 3.069 0.00 0.00 -ATOM 1345 O1 H2O C 449 11.254 34.653 29.441 0.00 0.00 -ATOM 1346 H1 H2O C 449 10.921 34.379 28.539 0.00 0.00 -ATOM 1347 H2 H2O C 449 12.078 34.131 29.665 0.00 0.00 -ATOM 1348 O1 H2O C 450 35.359 26.639 28.960 0.00 0.00 -ATOM 1349 H1 H2O C 450 35.241 25.987 28.211 0.00 0.00 -ATOM 1350 H2 H2O C 450 36.332 26.835 29.082 0.00 0.00 -ATOM 1351 O1 H2O C 451 51.751 17.936 31.803 0.00 0.00 -ATOM 1352 H1 H2O C 451 51.039 18.618 31.639 0.00 0.00 -ATOM 1353 H2 H2O C 451 52.644 18.324 31.573 0.00 0.00 -ATOM 1354 O1 H2O C 452 36.188 26.177 50.694 0.00 0.00 -ATOM 1355 H1 H2O C 452 36.100 26.412 49.725 0.00 0.00 -ATOM 1356 H2 H2O C 452 35.597 26.774 51.236 0.00 0.00 -ATOM 1357 O1 H2O C 453 51.612 33.975 9.423 0.00 0.00 -ATOM 1358 H1 H2O C 453 51.305 33.390 8.673 0.00 0.00 -ATOM 1359 H2 H2O C 453 52.238 33.463 10.011 0.00 0.00 -ATOM 1360 O1 H2O C 454 30.090 29.827 33.942 0.00 0.00 -ATOM 1361 H1 H2O C 454 30.281 28.846 33.965 0.00 0.00 -ATOM 1362 H2 H2O C 454 29.139 29.975 33.670 0.00 0.00 -ATOM 1363 O1 H2O C 455 3.625 35.813 42.895 0.00 0.00 -ATOM 1364 H1 H2O C 455 3.768 35.276 43.726 0.00 0.00 -ATOM 1365 H2 H2O C 455 2.952 35.356 42.314 0.00 0.00 -ATOM 1366 O1 H2O C 456 40.528 59.529 25.245 0.00 0.00 -ATOM 1367 H1 H2O C 456 40.377 60.022 26.101 0.00 0.00 -ATOM 1368 H2 H2O C 456 41.222 60.004 24.704 0.00 0.00 -ATOM 1369 O1 H2O C 457 52.970 50.813 41.633 0.00 0.00 -ATOM 1370 H1 H2O C 457 52.223 51.478 41.657 0.00 0.00 -ATOM 1371 H2 H2O C 457 52.593 49.894 41.520 0.00 0.00 -ATOM 1372 O1 H2O C 458 57.381 59.200 23.368 0.00 0.00 -ATOM 1373 H1 H2O C 458 57.709 58.748 24.197 0.00 0.00 -ATOM 1374 H2 H2O C 458 57.855 58.821 22.572 0.00 0.00 -ATOM 1375 O1 H2O C 459 9.685 12.666 33.002 0.00 0.00 -ATOM 1376 H1 H2O C 459 9.906 12.254 32.117 0.00 0.00 -ATOM 1377 H2 H2O C 459 9.830 11.994 33.728 0.00 0.00 -ATOM 1378 O1 H2O C 460 0.114 16.512 33.164 0.00 0.00 -ATOM 1379 H1 H2O C 460 0.292 15.545 32.983 0.00 0.00 -ATOM 1380 H2 H2O C 460 -0.382 16.604 34.027 0.00 0.00 -ATOM 1381 O1 H2O C 461 32.852 34.196 1.650 0.00 0.00 -ATOM 1382 H1 H2O C 461 33.396 34.909 1.208 0.00 0.00 -ATOM 1383 H2 H2O C 461 31.908 34.512 1.752 0.00 0.00 -ATOM 1384 O1 H2O C 462 32.378 46.105 27.207 0.00 0.00 -ATOM 1385 H1 H2O C 462 31.703 45.852 27.900 0.00 0.00 -ATOM 1386 H2 H2O C 462 31.920 46.238 26.328 0.00 0.00 -ATOM 1387 O1 H2O C 463 21.483 19.526 34.040 0.00 0.00 -ATOM 1388 H1 H2O C 463 20.812 20.233 34.264 0.00 0.00 -ATOM 1389 H2 H2O C 463 22.404 19.915 34.088 0.00 0.00 -ATOM 1390 O1 H2O C 464 31.826 45.694 40.055 0.00 0.00 -ATOM 1391 H1 H2O C 464 32.288 44.807 40.045 0.00 0.00 -ATOM 1392 H2 H2O C 464 32.404 46.377 39.609 0.00 0.00 -ATOM 1393 O1 H2O C 465 47.065 45.860 56.469 0.00 0.00 -ATOM 1394 H1 H2O C 465 47.760 45.155 56.321 0.00 0.00 -ATOM 1395 H2 H2O C 465 46.517 45.624 57.271 0.00 0.00 -ATOM 1396 O1 H2O C 466 47.879 48.784 56.221 0.00 0.00 -ATOM 1397 H1 H2O C 466 48.760 48.385 56.478 0.00 0.00 -ATOM 1398 H2 H2O C 466 47.361 49.007 57.048 0.00 0.00 -ATOM 1399 O1 H2O C 467 2.792 9.521 26.770 0.00 0.00 -ATOM 1400 H1 H2O C 467 2.376 8.626 26.933 0.00 0.00 -ATOM 1401 H2 H2O C 467 3.727 9.399 26.438 0.00 0.00 -ATOM 1402 O1 H2O C 468 1.900 53.992 56.083 0.00 0.00 -ATOM 1403 H1 H2O C 468 1.128 54.591 56.292 0.00 0.00 -ATOM 1404 H2 H2O C 468 2.515 53.953 56.870 0.00 0.00 -ATOM 1405 O1 H2O C 469 43.761 3.984 3.484 0.00 0.00 -ATOM 1406 H1 H2O C 469 43.631 4.973 3.417 0.00 0.00 -ATOM 1407 H2 H2O C 469 43.667 3.699 4.438 0.00 0.00 -ATOM 1408 O1 H2O C 470 8.051 56.119 51.319 0.00 0.00 -ATOM 1409 H1 H2O C 470 7.333 56.755 51.038 0.00 0.00 -ATOM 1410 H2 H2O C 470 8.922 56.399 50.914 0.00 0.00 -ATOM 1411 O1 H2O C 471 0.480 1.785 22.848 0.00 0.00 -ATOM 1412 H1 H2O C 471 1.059 1.828 22.033 0.00 0.00 -ATOM 1413 H2 H2O C 471 -0.188 2.529 22.821 0.00 0.00 -ATOM 1414 O1 H2O C 472 22.431 12.103 32.518 0.00 0.00 -ATOM 1415 H1 H2O C 472 21.510 11.725 32.622 0.00 0.00 -ATOM 1416 H2 H2O C 472 22.702 12.056 31.556 0.00 0.00 -ATOM 1417 O1 H2O C 473 41.719 20.041 7.753 0.00 0.00 -ATOM 1418 H1 H2O C 473 40.913 20.237 7.195 0.00 0.00 -ATOM 1419 H2 H2O C 473 41.608 20.454 8.657 0.00 0.00 -ATOM 1420 O1 H2O C 474 45.930 26.569 10.384 0.00 0.00 -ATOM 1421 H1 H2O C 474 45.515 26.863 9.524 0.00 0.00 -ATOM 1422 H2 H2O C 474 45.448 26.994 11.150 0.00 0.00 -ATOM 1423 O1 H2O C 475 2.886 47.198 38.254 0.00 0.00 -ATOM 1424 H1 H2O C 475 2.000 46.768 38.432 0.00 0.00 -ATOM 1425 H2 H2O C 475 3.601 46.702 38.748 0.00 0.00 -ATOM 1426 O1 H2O C 476 43.553 0.250 42.734 0.00 0.00 -ATOM 1427 H1 H2O C 476 42.925 1.014 42.583 0.00 0.00 -ATOM 1428 H2 H2O C 476 43.118 -0.602 42.440 0.00 0.00 -ATOM 1429 O1 H2O C 477 12.562 46.787 37.174 0.00 0.00 -ATOM 1430 H1 H2O C 477 11.838 46.292 37.655 0.00 0.00 -ATOM 1431 H2 H2O C 477 13.378 46.826 37.750 0.00 0.00 -ATOM 1432 O1 H2O C 478 10.871 12.456 52.670 0.00 0.00 -ATOM 1433 H1 H2O C 478 10.819 11.486 52.914 0.00 0.00 -ATOM 1434 H2 H2O C 478 10.966 13.003 53.502 0.00 0.00 -ATOM 1435 O1 H2O C 479 11.150 8.979 19.978 0.00 0.00 -ATOM 1436 H1 H2O C 479 11.647 9.845 19.917 0.00 0.00 -ATOM 1437 H2 H2O C 479 11.715 8.244 19.601 0.00 0.00 -ATOM 1438 O1 H2O C 480 15.669 50.583 32.759 0.00 0.00 -ATOM 1439 H1 H2O C 480 15.474 50.958 33.665 0.00 0.00 -ATOM 1440 H2 H2O C 480 16.636 50.334 32.702 0.00 0.00 -ATOM 1441 O1 H2O C 481 34.696 57.807 45.872 0.00 0.00 -ATOM 1442 H1 H2O C 481 34.069 57.058 46.085 0.00 0.00 -ATOM 1443 H2 H2O C 481 35.157 57.619 45.004 0.00 0.00 -ATOM 1444 O1 H2O C 482 13.179 57.480 46.606 0.00 0.00 -ATOM 1445 H1 H2O C 482 12.615 56.663 46.732 0.00 0.00 -ATOM 1446 H2 H2O C 482 14.059 57.218 46.209 0.00 0.00 -ATOM 1447 O1 H2O C 483 17.556 29.609 5.681 0.00 0.00 -ATOM 1448 H1 H2O C 483 16.617 29.261 5.675 0.00 0.00 -ATOM 1449 H2 H2O C 483 17.930 29.539 6.606 0.00 0.00 -ATOM 1450 O1 H2O C 484 57.544 59.338 55.912 0.00 0.00 -ATOM 1451 H1 H2O C 484 57.628 58.344 55.978 0.00 0.00 -ATOM 1452 H2 H2O C 484 57.446 59.601 54.952 0.00 0.00 -ATOM 1453 O1 H2O C 485 14.527 14.895 30.548 0.00 0.00 -ATOM 1454 H1 H2O C 485 13.605 14.554 30.362 0.00 0.00 -ATOM 1455 H2 H2O C 485 15.193 14.171 30.365 0.00 0.00 -ATOM 1456 O1 H2O C 486 29.572 56.407 26.253 0.00 0.00 -ATOM 1457 H1 H2O C 486 30.260 56.156 26.933 0.00 0.00 -ATOM 1458 H2 H2O C 486 30.013 56.885 25.493 0.00 0.00 -ATOM 1459 O1 H2O C 487 24.363 53.781 12.153 0.00 0.00 -ATOM 1460 H1 H2O C 487 23.749 53.009 12.312 0.00 0.00 -ATOM 1461 H2 H2O C 487 24.076 54.271 11.329 0.00 0.00 -ATOM 1462 O1 H2O C 488 18.828 41.620 18.271 0.00 0.00 -ATOM 1463 H1 H2O C 488 18.886 42.396 18.899 0.00 0.00 -ATOM 1464 H2 H2O C 488 17.891 41.533 17.932 0.00 0.00 -ATOM 1465 O1 H2O C 489 15.709 14.626 50.414 0.00 0.00 -ATOM 1466 H1 H2O C 489 16.541 14.075 50.354 0.00 0.00 -ATOM 1467 H2 H2O C 489 14.943 14.118 50.021 0.00 0.00 -ATOM 1468 O1 H2O C 490 16.424 15.086 53.928 0.00 0.00 -ATOM 1469 H1 H2O C 490 16.291 14.306 54.539 0.00 0.00 -ATOM 1470 H2 H2O C 490 16.937 14.794 53.121 0.00 0.00 -ATOM 1471 O1 H2O C 491 1.480 3.680 45.014 0.00 0.00 -ATOM 1472 H1 H2O C 491 1.090 2.868 45.448 0.00 0.00 -ATOM 1473 H2 H2O C 491 2.407 3.476 44.699 0.00 0.00 -ATOM 1474 O1 H2O C 492 28.216 20.226 51.754 0.00 0.00 -ATOM 1475 H1 H2O C 492 27.265 20.112 52.043 0.00 0.00 -ATOM 1476 H2 H2O C 492 28.396 19.643 50.962 0.00 0.00 -ATOM 1477 O1 H2O C 493 33.018 28.040 36.068 0.00 0.00 -ATOM 1478 H1 H2O C 493 32.794 28.248 37.020 0.00 0.00 -ATOM 1479 H2 H2O C 493 33.995 27.839 35.992 0.00 0.00 -ATOM 1480 O1 H2O C 494 7.538 33.582 23.018 0.00 0.00 -ATOM 1481 H1 H2O C 494 7.155 33.189 23.854 0.00 0.00 -ATOM 1482 H2 H2O C 494 7.484 34.580 23.064 0.00 0.00 -ATOM 1483 O1 H2O C 495 57.643 44.815 18.548 0.00 0.00 -ATOM 1484 H1 H2O C 495 58.303 45.483 18.205 0.00 0.00 -ATOM 1485 H2 H2O C 495 58.131 44.061 18.988 0.00 0.00 -ATOM 1486 O1 H2O C 496 47.910 8.859 27.580 0.00 0.00 -ATOM 1487 H1 H2O C 496 47.189 8.166 27.572 0.00 0.00 -ATOM 1488 H2 H2O C 496 48.791 8.421 27.761 0.00 0.00 -ATOM 1489 O1 H2O C 497 29.390 36.094 18.822 0.00 0.00 -ATOM 1490 H1 H2O C 497 28.935 35.437 19.424 0.00 0.00 -ATOM 1491 H2 H2O C 497 28.860 36.198 17.981 0.00 0.00 -ATOM 1492 O1 H2O C 498 51.429 39.737 10.348 0.00 0.00 -ATOM 1493 H1 H2O C 498 51.662 40.651 10.680 0.00 0.00 -ATOM 1494 H2 H2O C 498 50.655 39.798 9.717 0.00 0.00 -ATOM 1495 O1 H2O C 499 36.984 42.934 2.299 0.00 0.00 -ATOM 1496 H1 H2O C 499 36.078 42.669 1.969 0.00 0.00 -ATOM 1497 H2 H2O C 499 37.010 42.863 3.296 0.00 0.00 -ATOM 1498 O1 H2O C 500 59.050 9.250 34.925 0.00 0.00 -ATOM 1499 H1 H2O C 500 59.925 9.613 34.605 0.00 0.00 -ATOM 1500 H2 H2O C 500 59.163 8.291 35.185 0.00 0.00 -ATOM 1501 O1 H2O C 501 39.633 27.735 6.946 0.00 0.00 -ATOM 1502 H1 H2O C 501 39.751 26.948 7.552 0.00 0.00 -ATOM 1503 H2 H2O C 501 39.367 28.534 7.485 0.00 0.00 -ATOM 1504 O1 H2O C 502 45.050 3.459 47.649 0.00 0.00 -ATOM 1505 H1 H2O C 502 45.386 3.284 46.723 0.00 0.00 -ATOM 1506 H2 H2O C 502 45.716 3.120 48.314 0.00 0.00 -ATOM 1507 O1 H2O C 503 34.317 58.883 47.532 0.00 0.00 -ATOM 1508 H1 H2O C 503 34.560 59.078 46.582 0.00 0.00 -ATOM 1509 H2 H2O C 503 35.097 58.464 47.996 0.00 0.00 -ATOM 1510 O1 H2O C 504 13.941 5.183 29.992 0.00 0.00 -ATOM 1511 H1 H2O C 504 14.442 4.457 30.465 0.00 0.00 -ATOM 1512 H2 H2O C 504 13.481 5.763 30.666 0.00 0.00 -ATOM 1513 O1 H2O C 505 25.152 33.587 28.564 0.00 0.00 -ATOM 1514 H1 H2O C 505 25.865 33.482 29.258 0.00 0.00 -ATOM 1515 H2 H2O C 505 24.605 34.399 28.768 0.00 0.00 -ATOM 1516 O1 H2O C 506 42.167 19.194 1.651 0.00 0.00 -ATOM 1517 H1 H2O C 506 41.402 19.315 2.284 0.00 0.00 -ATOM 1518 H2 H2O C 506 42.392 18.222 1.581 0.00 0.00 -ATOM 1519 O1 H2O C 507 53.130 54.193 51.454 0.00 0.00 -ATOM 1520 H1 H2O C 507 53.700 54.224 52.276 0.00 0.00 -ATOM 1521 H2 H2O C 507 53.477 53.488 50.835 0.00 0.00 -ATOM 1522 O1 H2O C 508 48.705 56.820 55.271 0.00 0.00 -ATOM 1523 H1 H2O C 508 47.722 56.966 55.382 0.00 0.00 -ATOM 1524 H2 H2O C 508 49.058 57.442 54.571 0.00 0.00 -ATOM 1525 O1 H2O C 509 51.340 0.651 33.215 0.00 0.00 -ATOM 1526 H1 H2O C 509 51.540 -0.072 33.876 0.00 0.00 -ATOM 1527 H2 H2O C 509 50.924 0.251 32.399 0.00 0.00 -ATOM 1528 O1 H2O C 510 4.143 1.689 17.173 0.00 0.00 -ATOM 1529 H1 H2O C 510 4.806 1.494 17.896 0.00 0.00 -ATOM 1530 H2 H2O C 510 3.705 2.570 17.352 0.00 0.00 -ATOM 1531 O1 H2O C 511 22.488 49.098 54.289 0.00 0.00 -ATOM 1532 H1 H2O C 511 23.243 49.678 54.594 0.00 0.00 -ATOM 1533 H2 H2O C 511 21.765 49.670 53.900 0.00 0.00 -ATOM 1534 O1 H2O C 512 56.189 28.179 17.387 0.00 0.00 -ATOM 1535 H1 H2O C 512 56.344 29.055 16.929 0.00 0.00 -ATOM 1536 H2 H2O C 512 56.784 28.114 18.189 0.00 0.00 -ATOM 1537 O1 H2O C 513 48.343 35.834 35.065 0.00 0.00 -ATOM 1538 H1 H2O C 513 48.629 35.274 35.842 0.00 0.00 -ATOM 1539 H2 H2O C 513 49.149 36.217 34.615 0.00 0.00 -ATOM 1540 O1 H2O C 514 39.027 59.270 21.511 0.00 0.00 -ATOM 1541 H1 H2O C 514 40.021 59.256 21.619 0.00 0.00 -ATOM 1542 H2 H2O C 514 38.594 59.307 22.412 0.00 0.00 -ATOM 1543 O1 H2O C 515 59.050 57.244 2.324 0.00 0.00 -ATOM 1544 H1 H2O C 515 59.492 56.945 1.478 0.00 0.00 -ATOM 1545 H2 H2O C 515 59.628 57.004 3.105 0.00 0.00 -ATOM 1546 O1 H2O C 516 3.373 50.872 13.861 0.00 0.00 -ATOM 1547 H1 H2O C 516 3.779 51.238 14.700 0.00 0.00 -ATOM 1548 H2 H2O C 516 3.715 51.386 13.074 0.00 0.00 -ATOM 1549 O1 H2O C 517 5.484 49.462 1.982 0.00 0.00 -ATOM 1550 H1 H2O C 517 5.672 48.853 2.752 0.00 0.00 -ATOM 1551 H2 H2O C 517 4.624 49.194 1.547 0.00 0.00 -ATOM 1552 O1 H2O C 518 53.757 16.484 23.085 0.00 0.00 -ATOM 1553 H1 H2O C 518 52.815 16.806 22.991 0.00 0.00 -ATOM 1554 H2 H2O C 518 54.185 16.930 23.870 0.00 0.00 -ATOM 1555 O1 H2O C 519 38.037 30.249 47.897 0.00 0.00 -ATOM 1556 H1 H2O C 519 37.794 31.146 48.267 0.00 0.00 -ATOM 1557 H2 H2O C 519 37.670 29.533 48.491 0.00 0.00 -ATOM 1558 O1 H2O C 520 6.176 36.135 30.340 0.00 0.00 -ATOM 1559 H1 H2O C 520 6.739 35.383 29.996 0.00 0.00 -ATOM 1560 H2 H2O C 520 6.633 37.005 30.155 0.00 0.00 -ATOM 1561 O1 H2O C 521 14.083 26.716 26.346 0.00 0.00 -ATOM 1562 H1 H2O C 521 13.484 26.185 26.947 0.00 0.00 -ATOM 1563 H2 H2O C 521 13.604 26.913 25.489 0.00 0.00 -ATOM 1564 O1 H2O C 522 54.772 46.677 60.328 0.00 0.00 -ATOM 1565 H1 H2O C 522 55.359 46.020 59.855 0.00 0.00 -ATOM 1566 H2 H2O C 522 54.670 47.498 59.765 0.00 0.00 -ATOM 1567 O1 H2O C 523 22.395 44.416 9.792 0.00 0.00 -ATOM 1568 H1 H2O C 523 22.058 44.009 10.642 0.00 0.00 -ATOM 1569 H2 H2O C 523 22.931 43.739 9.288 0.00 0.00 -ATOM 1570 O1 H2O C 524 46.168 35.449 7.962 0.00 0.00 -ATOM 1571 H1 H2O C 524 45.977 36.429 8.028 0.00 0.00 -ATOM 1572 H2 H2O C 524 46.645 35.261 7.103 0.00 0.00 -ATOM 1573 O1 H2O C 525 5.911 1.391 38.655 0.00 0.00 -ATOM 1574 H1 H2O C 525 5.217 1.977 39.072 0.00 0.00 -ATOM 1575 H2 H2O C 525 5.742 1.321 37.672 0.00 0.00 -ATOM 1576 O1 H2O C 526 54.684 38.047 12.364 0.00 0.00 -ATOM 1577 H1 H2O C 526 53.932 38.612 12.022 0.00 0.00 -ATOM 1578 H2 H2O C 526 55.019 38.424 13.227 0.00 0.00 -ATOM 1579 O1 H2O C 527 22.085 14.222 53.715 0.00 0.00 -ATOM 1580 H1 H2O C 527 22.339 14.705 52.877 0.00 0.00 -ATOM 1581 H2 H2O C 527 21.187 13.797 53.596 0.00 0.00 -ATOM 1582 O1 H2O C 528 15.314 41.738 10.235 0.00 0.00 -ATOM 1583 H1 H2O C 528 15.756 42.582 9.932 0.00 0.00 -ATOM 1584 H2 H2O C 528 15.716 41.443 11.102 0.00 0.00 -ATOM 1585 O1 H2O C 529 6.097 3.750 20.285 0.00 0.00 -ATOM 1586 H1 H2O C 529 7.088 3.771 20.414 0.00 0.00 -ATOM 1587 H2 H2O C 529 5.663 3.359 21.097 0.00 0.00 -ATOM 1588 O1 H2O C 530 32.468 4.800 46.319 0.00 0.00 -ATOM 1589 H1 H2O C 530 31.760 4.958 45.630 0.00 0.00 -ATOM 1590 H2 H2O C 530 33.357 5.074 45.952 0.00 0.00 -ATOM 1591 O1 H2O C 531 49.937 27.676 41.696 0.00 0.00 -ATOM 1592 H1 H2O C 531 50.777 27.136 41.758 0.00 0.00 -ATOM 1593 H2 H2O C 531 50.152 28.584 41.336 0.00 0.00 -ATOM 1594 O1 H2O C 532 43.790 54.660 9.595 0.00 0.00 -ATOM 1595 H1 H2O C 532 44.303 55.236 8.959 0.00 0.00 -ATOM 1596 H2 H2O C 532 43.728 53.731 9.228 0.00 0.00 -ATOM 1597 O1 H2O C 533 35.450 14.790 41.831 0.00 0.00 -ATOM 1598 H1 H2O C 533 35.166 14.414 42.714 0.00 0.00 -ATOM 1599 H2 H2O C 533 36.449 14.778 41.771 0.00 0.00 -ATOM 1600 O1 H2O C 534 24.996 46.360 16.220 0.00 0.00 -ATOM 1601 H1 H2O C 534 25.595 45.973 16.922 0.00 0.00 -ATOM 1602 H2 H2O C 534 25.394 47.210 15.875 0.00 0.00 -ATOM 1603 O1 H2O C 535 43.542 7.073 15.797 0.00 0.00 -ATOM 1604 H1 H2O C 535 43.630 6.281 16.402 0.00 0.00 -ATOM 1605 H2 H2O C 535 42.771 6.933 15.175 0.00 0.00 -ATOM 1606 O1 H2O C 536 8.882 11.942 1.203 0.00 0.00 -ATOM 1607 H1 H2O C 536 8.840 12.894 0.899 0.00 0.00 -ATOM 1608 H2 H2O C 536 8.744 11.902 2.193 0.00 0.00 -ATOM 1609 O1 H2O C 537 19.576 15.499 54.895 0.00 0.00 -ATOM 1610 H1 H2O C 537 18.649 15.872 54.952 0.00 0.00 -ATOM 1611 H2 H2O C 537 19.808 15.053 55.759 0.00 0.00 -ATOM 1612 O1 H2O C 538 0.677 55.841 44.785 0.00 0.00 -ATOM 1613 H1 H2O C 538 -0.287 55.896 45.047 0.00 0.00 -ATOM 1614 H2 H2O C 538 0.757 55.921 43.792 0.00 0.00 -ATOM 1615 O1 H2O C 539 44.090 28.750 42.566 0.00 0.00 -ATOM 1616 H1 H2O C 539 43.650 27.892 42.299 0.00 0.00 -ATOM 1617 H2 H2O C 539 43.724 29.052 43.446 0.00 0.00 -ATOM 1618 O1 H2O C 540 41.159 56.461 22.067 0.00 0.00 -ATOM 1619 H1 H2O C 540 40.915 55.759 22.736 0.00 0.00 -ATOM 1620 H2 H2O C 540 41.074 57.365 22.487 0.00 0.00 -ATOM 1621 O1 H2O C 541 8.157 21.360 5.077 0.00 0.00 -ATOM 1622 H1 H2O C 541 8.165 21.120 4.107 0.00 0.00 -ATOM 1623 H2 H2O C 541 8.697 22.189 5.220 0.00 0.00 -ATOM 1624 O1 H2O C 542 3.560 41.440 23.176 0.00 0.00 -ATOM 1625 H1 H2O C 542 4.498 41.166 23.390 0.00 0.00 -ATOM 1626 H2 H2O C 542 3.335 42.276 23.676 0.00 0.00 -ATOM 1627 O1 H2O C 543 52.572 36.726 45.052 0.00 0.00 -ATOM 1628 H1 H2O C 543 52.185 37.406 44.429 0.00 0.00 -ATOM 1629 H2 H2O C 543 52.632 35.843 44.585 0.00 0.00 -ATOM 1630 O1 H2O C 544 4.777 19.484 26.336 0.00 0.00 -ATOM 1631 H1 H2O C 544 3.914 19.661 26.809 0.00 0.00 -ATOM 1632 H2 H2O C 544 5.131 20.338 25.955 0.00 0.00 -ATOM 1633 O1 H2O C 545 30.142 3.909 45.233 0.00 0.00 -ATOM 1634 H1 H2O C 545 29.767 4.804 44.986 0.00 0.00 -ATOM 1635 H2 H2O C 545 30.959 3.729 44.685 0.00 0.00 -ATOM 1636 O1 H2O C 546 8.450 1.686 36.979 0.00 0.00 -ATOM 1637 H1 H2O C 546 8.930 0.963 36.481 0.00 0.00 -ATOM 1638 H2 H2O C 546 8.301 1.397 37.924 0.00 0.00 -ATOM 1639 O1 H2O C 547 1.890 53.375 23.608 0.00 0.00 -ATOM 1640 H1 H2O C 547 2.404 52.626 24.029 0.00 0.00 -ATOM 1641 H2 H2O C 547 1.748 54.100 24.283 0.00 0.00 -ATOM 1642 O1 H2O C 548 35.798 60.167 9.548 0.00 0.00 -ATOM 1643 H1 H2O C 548 36.260 59.554 8.908 0.00 0.00 -ATOM 1644 H2 H2O C 548 35.592 59.674 10.393 0.00 0.00 -ATOM 1645 O1 H2O C 549 24.757 50.314 9.383 0.00 0.00 -ATOM 1646 H1 H2O C 549 25.218 49.937 10.187 0.00 0.00 -ATOM 1647 H2 H2O C 549 25.420 50.812 8.823 0.00 0.00 -ATOM 1648 O1 H2O C 550 53.209 43.676 3.114 0.00 0.00 -ATOM 1649 H1 H2O C 550 53.874 44.404 3.279 0.00 0.00 -ATOM 1650 H2 H2O C 550 52.285 44.029 3.262 0.00 0.00 -ATOM 1651 O1 H2O C 551 34.731 37.852 26.916 0.00 0.00 -ATOM 1652 H1 H2O C 551 33.830 37.805 27.348 0.00 0.00 -ATOM 1653 H2 H2O C 551 35.438 37.875 27.624 0.00 0.00 -ATOM 1654 O1 H2O C 552 22.220 53.277 34.514 0.00 0.00 -ATOM 1655 H1 H2O C 552 22.875 52.522 34.569 0.00 0.00 -ATOM 1656 H2 H2O C 552 22.540 54.036 35.083 0.00 0.00 -ATOM 1657 O1 H2O C 553 25.773 41.970 17.299 0.00 0.00 -ATOM 1658 H1 H2O C 553 25.567 41.862 16.326 0.00 0.00 -ATOM 1659 H2 H2O C 553 25.546 42.900 17.586 0.00 0.00 -ATOM 1660 O1 H2O C 554 2.962 44.606 17.459 0.00 0.00 -ATOM 1661 H1 H2O C 554 2.628 45.057 16.631 0.00 0.00 -ATOM 1662 H2 H2O C 554 2.566 45.051 18.263 0.00 0.00 -ATOM 1663 O1 H2O C 555 37.914 20.044 42.658 0.00 0.00 -ATOM 1664 H1 H2O C 555 37.662 20.914 43.081 0.00 0.00 -ATOM 1665 H2 H2O C 555 37.841 20.123 41.663 0.00 0.00 -ATOM 1666 O1 H2O C 556 30.665 9.885 53.593 0.00 0.00 -ATOM 1667 H1 H2O C 556 31.029 9.118 53.066 0.00 0.00 -ATOM 1668 H2 H2O C 556 30.682 9.659 54.567 0.00 0.00 -ATOM 1669 O1 H2O C 557 25.365 39.304 23.940 0.00 0.00 -ATOM 1670 H1 H2O C 557 25.176 40.199 23.537 0.00 0.00 -ATOM 1671 H2 H2O C 557 24.900 39.230 24.822 0.00 0.00 -ATOM 1672 O1 H2O C 558 17.288 56.477 34.721 0.00 0.00 -ATOM 1673 H1 H2O C 558 17.681 55.828 34.070 0.00 0.00 -ATOM 1674 H2 H2O C 558 17.735 56.372 35.609 0.00 0.00 -ATOM 1675 O1 H2O C 559 28.057 31.360 50.766 0.00 0.00 -ATOM 1676 H1 H2O C 559 28.926 31.851 50.827 0.00 0.00 -ATOM 1677 H2 H2O C 559 27.973 30.942 49.861 0.00 0.00 -ATOM 1678 O1 H2O C 560 15.672 59.902 44.126 0.00 0.00 -ATOM 1679 H1 H2O C 560 16.179 60.112 43.290 0.00 0.00 -ATOM 1680 H2 H2O C 560 14.773 59.534 43.886 0.00 0.00 -ATOM 1681 O1 H2O C 561 19.623 22.380 0.536 0.00 0.00 -ATOM 1682 H1 H2O C 561 19.425 21.766 -0.228 0.00 0.00 -ATOM 1683 H2 H2O C 561 20.373 22.992 0.287 0.00 0.00 -ATOM 1684 O1 H2O C 562 26.535 8.427 16.144 0.00 0.00 -ATOM 1685 H1 H2O C 562 26.360 9.193 16.763 0.00 0.00 -ATOM 1686 H2 H2O C 562 26.959 7.678 16.654 0.00 0.00 -ATOM 1687 O1 H2O C 563 31.730 13.609 57.905 0.00 0.00 -ATOM 1688 H1 H2O C 563 32.370 14.111 58.487 0.00 0.00 -ATOM 1689 H2 H2O C 563 32.041 12.664 57.806 0.00 0.00 -ATOM 1690 O1 H2O C 564 35.293 59.348 45.115 0.00 0.00 -ATOM 1691 H1 H2O C 564 34.488 59.121 44.566 0.00 0.00 -ATOM 1692 H2 H2O C 564 35.588 60.280 44.903 0.00 0.00 -ATOM 1693 O1 H2O C 565 19.602 2.450 31.277 0.00 0.00 -ATOM 1694 H1 H2O C 565 19.195 2.826 30.445 0.00 0.00 -ATOM 1695 H2 H2O C 565 20.556 2.208 31.102 0.00 0.00 -ATOM 1696 O1 H2O C 566 56.064 56.838 38.714 0.00 0.00 -ATOM 1697 H1 H2O C 566 56.516 57.306 39.474 0.00 0.00 -ATOM 1698 H2 H2O C 566 56.172 57.378 37.879 0.00 0.00 -ATOM 1699 O1 H2O C 567 12.366 57.359 7.523 0.00 0.00 -ATOM 1700 H1 H2O C 567 13.194 57.876 7.737 0.00 0.00 -ATOM 1701 H2 H2O C 567 12.047 56.886 8.344 0.00 0.00 -ATOM 1702 O1 H2O C 568 51.504 31.395 57.660 0.00 0.00 -ATOM 1703 H1 H2O C 568 52.471 31.370 57.915 0.00 0.00 -ATOM 1704 H2 H2O C 568 51.091 32.238 58.007 0.00 0.00 -ATOM 1705 O1 H2O C 569 7.625 23.064 44.019 0.00 0.00 -ATOM 1706 H1 H2O C 569 7.747 23.807 44.677 0.00 0.00 -ATOM 1707 H2 H2O C 569 6.873 23.289 43.398 0.00 0.00 -ATOM 1708 O1 H2O C 570 14.995 37.654 45.269 0.00 0.00 -ATOM 1709 H1 H2O C 570 14.120 37.175 45.200 0.00 0.00 -ATOM 1710 H2 H2O C 570 14.923 38.545 44.821 0.00 0.00 -ATOM 1711 O1 H2O C 571 34.339 24.233 50.584 0.00 0.00 -ATOM 1712 H1 H2O C 571 33.763 23.416 50.578 0.00 0.00 -ATOM 1713 H2 H2O C 571 35.259 23.995 50.273 0.00 0.00 -ATOM 1714 O1 H2O C 572 9.852 27.405 53.120 0.00 0.00 -ATOM 1715 H1 H2O C 572 9.089 26.780 53.289 0.00 0.00 -ATOM 1716 H2 H2O C 572 10.132 27.338 52.162 0.00 0.00 -ATOM 1717 O1 H2O C 573 33.687 24.174 2.669 0.00 0.00 -ATOM 1718 H1 H2O C 573 33.992 23.318 2.253 0.00 0.00 -ATOM 1719 H2 H2O C 573 32.694 24.252 2.583 0.00 0.00 -ATOM 1720 O1 H2O C 574 14.549 46.097 32.541 0.00 0.00 -ATOM 1721 H1 H2O C 574 15.438 45.756 32.850 0.00 0.00 -ATOM 1722 H2 H2O C 574 13.858 45.904 33.239 0.00 0.00 -ATOM 1723 O1 H2O C 575 46.246 17.234 49.851 0.00 0.00 -ATOM 1724 H1 H2O C 575 45.616 18.010 49.804 0.00 0.00 -ATOM 1725 H2 H2O C 575 46.149 16.676 49.027 0.00 0.00 -ATOM 1726 O1 H2O C 576 31.048 47.734 45.252 0.00 0.00 -ATOM 1727 H1 H2O C 576 31.194 48.489 45.893 0.00 0.00 -ATOM 1728 H2 H2O C 576 30.067 47.619 45.093 0.00 0.00 -ATOM 1729 O1 H2O C 577 19.967 10.326 44.989 0.00 0.00 -ATOM 1730 H1 H2O C 577 19.016 10.466 44.715 0.00 0.00 -ATOM 1731 H2 H2O C 577 20.072 10.553 45.957 0.00 0.00 -ATOM 1732 O1 H2O C 578 41.700 26.977 36.716 0.00 0.00 -ATOM 1733 H1 H2O C 578 41.559 26.076 36.305 0.00 0.00 -ATOM 1734 H2 H2O C 578 40.865 27.519 36.627 0.00 0.00 -ATOM 1735 O1 H2O C 579 28.777 28.405 38.775 0.00 0.00 -ATOM 1736 H1 H2O C 579 28.175 27.786 39.279 0.00 0.00 -ATOM 1737 H2 H2O C 579 29.413 28.842 39.412 0.00 0.00 -ATOM 1738 O1 H2O C 580 10.938 45.454 28.245 0.00 0.00 -ATOM 1739 H1 H2O C 580 10.660 44.566 28.611 0.00 0.00 -ATOM 1740 H2 H2O C 580 10.322 46.164 28.588 0.00 0.00 -ATOM 1741 O1 H2O C 581 30.348 28.945 48.452 0.00 0.00 -ATOM 1742 H1 H2O C 581 29.359 29.071 48.542 0.00 0.00 -ATOM 1743 H2 H2O C 581 30.632 29.200 47.527 0.00 0.00 -ATOM 1744 O1 H2O C 582 57.848 1.711 3.060 0.00 0.00 -ATOM 1745 H1 H2O C 582 58.312 0.936 2.631 0.00 0.00 -ATOM 1746 H2 H2O C 582 56.892 1.730 2.770 0.00 0.00 -ATOM 1747 O1 H2O C 583 46.771 31.176 49.310 0.00 0.00 -ATOM 1748 H1 H2O C 583 47.723 31.262 49.604 0.00 0.00 -ATOM 1749 H2 H2O C 583 46.508 31.987 48.789 0.00 0.00 -ATOM 1750 O1 H2O C 584 30.166 13.988 43.139 0.00 0.00 -ATOM 1751 H1 H2O C 584 31.159 14.056 43.236 0.00 0.00 -ATOM 1752 H2 H2O C 584 29.828 14.768 42.613 0.00 0.00 -ATOM 1753 O1 H2O C 585 24.005 2.265 31.172 0.00 0.00 -ATOM 1754 H1 H2O C 585 23.667 1.912 32.045 0.00 0.00 -ATOM 1755 H2 H2O C 585 24.954 2.559 31.277 0.00 0.00 -ATOM 1756 O1 H2O C 586 38.056 9.917 60.142 0.00 0.00 -ATOM 1757 H1 H2O C 586 37.685 9.962 59.215 0.00 0.00 -ATOM 1758 H2 H2O C 586 39.021 10.182 60.128 0.00 0.00 -ATOM 1759 O1 H2O C 587 49.817 13.031 2.053 0.00 0.00 -ATOM 1760 H1 H2O C 587 49.044 12.395 2.036 0.00 0.00 -ATOM 1761 H2 H2O C 587 49.747 13.660 1.279 0.00 0.00 -ATOM 1762 O1 H2O C 588 4.662 2.705 23.716 0.00 0.00 -ATOM 1763 H1 H2O C 588 4.012 2.061 23.311 0.00 0.00 -ATOM 1764 H2 H2O C 588 4.878 3.421 23.052 0.00 0.00 -ATOM 1765 O1 H2O C 589 40.735 47.691 16.027 0.00 0.00 -ATOM 1766 H1 H2O C 589 41.519 47.145 15.734 0.00 0.00 -ATOM 1767 H2 H2O C 589 41.029 48.631 16.202 0.00 0.00 -ATOM 1768 O1 H2O C 590 39.596 53.967 30.588 0.00 0.00 -ATOM 1769 H1 H2O C 590 40.230 54.471 31.175 0.00 0.00 -ATOM 1770 H2 H2O C 590 40.091 53.606 29.797 0.00 0.00 -ATOM 1771 O1 H2O C 591 4.966 42.345 28.975 0.00 0.00 -ATOM 1772 H1 H2O C 591 5.022 43.041 28.260 0.00 0.00 -ATOM 1773 H2 H2O C 591 4.600 41.498 28.589 0.00 0.00 -ATOM 1774 O1 H2O C 592 38.642 3.681 15.965 0.00 0.00 -ATOM 1775 H1 H2O C 592 38.816 4.665 16.006 0.00 0.00 -ATOM 1776 H2 H2O C 592 37.712 3.520 15.634 0.00 0.00 -ATOM 1777 O1 H2O C 593 28.718 12.267 11.622 0.00 0.00 -ATOM 1778 H1 H2O C 593 28.146 12.841 12.207 0.00 0.00 -ATOM 1779 H2 H2O C 593 28.349 12.268 10.692 0.00 0.00 -ATOM 1780 O1 H2O C 594 14.966 6.778 15.521 0.00 0.00 -ATOM 1781 H1 H2O C 594 14.833 5.885 15.090 0.00 0.00 -ATOM 1782 H2 H2O C 594 15.248 6.649 16.472 0.00 0.00 -ATOM 1783 O1 H2O C 595 11.104 51.983 37.586 0.00 0.00 -ATOM 1784 H1 H2O C 595 11.340 52.954 37.538 0.00 0.00 -ATOM 1785 H2 H2O C 595 10.830 51.754 38.521 0.00 0.00 -ATOM 1786 O1 H2O C 596 53.116 54.290 9.606 0.00 0.00 -ATOM 1787 H1 H2O C 596 53.199 54.915 8.829 0.00 0.00 -ATOM 1788 H2 H2O C 596 53.790 53.557 9.517 0.00 0.00 -ATOM 1789 O1 H2O C 597 30.734 26.955 23.657 0.00 0.00 -ATOM 1790 H1 H2O C 597 30.339 26.132 24.064 0.00 0.00 -ATOM 1791 H2 H2O C 597 30.028 27.658 23.575 0.00 0.00 -ATOM 1792 O1 H2O C 598 12.767 3.949 32.020 0.00 0.00 -ATOM 1793 H1 H2O C 598 13.569 4.329 32.482 0.00 0.00 -ATOM 1794 H2 H2O C 598 12.683 2.978 32.246 0.00 0.00 -ATOM 1795 O1 H2O C 599 17.126 20.933 7.937 0.00 0.00 -ATOM 1796 H1 H2O C 599 16.756 21.560 8.622 0.00 0.00 -ATOM 1797 H2 H2O C 599 18.125 20.948 7.975 0.00 0.00 -ATOM 1798 O1 H2O C 600 43.692 21.585 49.339 0.00 0.00 -ATOM 1799 H1 H2O C 600 44.508 22.071 49.654 0.00 0.00 -ATOM 1800 H2 H2O C 600 42.949 21.724 49.995 0.00 0.00 -ATOM 1801 O1 H2O C 601 18.810 27.867 54.860 0.00 0.00 -ATOM 1802 H1 H2O C 601 18.449 26.974 54.591 0.00 0.00 -ATOM 1803 H2 H2O C 601 18.460 28.109 55.765 0.00 0.00 -ATOM 1804 O1 H2O C 602 2.995 49.628 57.528 0.00 0.00 -ATOM 1805 H1 H2O C 602 3.638 50.275 57.120 0.00 0.00 -ATOM 1806 H2 H2O C 602 3.458 49.103 58.242 0.00 0.00 -ATOM 1807 O1 H2O C 603 6.960 28.972 41.732 0.00 0.00 -ATOM 1808 H1 H2O C 603 6.749 29.385 42.619 0.00 0.00 -ATOM 1809 H2 H2O C 603 6.448 29.445 41.015 0.00 0.00 -ATOM 1810 O1 H2O C 604 51.283 40.943 35.405 0.00 0.00 -ATOM 1811 H1 H2O C 604 50.972 41.867 35.629 0.00 0.00 -ATOM 1812 H2 H2O C 604 50.518 40.414 35.039 0.00 0.00 -ATOM 1813 O1 H2O C 605 35.183 9.799 30.722 0.00 0.00 -ATOM 1814 H1 H2O C 605 36.070 9.758 31.183 0.00 0.00 -ATOM 1815 H2 H2O C 605 34.495 9.337 31.281 0.00 0.00 -ATOM 1816 O1 H2O C 606 3.135 52.164 54.970 0.00 0.00 -ATOM 1817 H1 H2O C 606 3.119 51.794 54.041 0.00 0.00 -ATOM 1818 H2 H2O C 606 2.921 51.436 55.622 0.00 0.00 -ATOM 1819 O1 H2O C 607 53.998 26.779 20.844 0.00 0.00 -ATOM 1820 H1 H2O C 607 53.604 27.541 20.329 0.00 0.00 -ATOM 1821 H2 H2O C 607 54.087 27.038 21.806 0.00 0.00 -ATOM 1822 O1 H2O C 608 50.971 18.958 6.149 0.00 0.00 -ATOM 1823 H1 H2O C 608 51.417 19.853 6.110 0.00 0.00 -ATOM 1824 H2 H2O C 608 50.086 19.047 6.606 0.00 0.00 -ATOM 1825 O1 H2O C 609 36.769 38.014 13.084 0.00 0.00 -ATOM 1826 H1 H2O C 609 36.228 38.772 13.452 0.00 0.00 -ATOM 1827 H2 H2O C 609 37.255 37.559 13.831 0.00 0.00 -ATOM 1828 O1 H2O C 610 17.483 34.754 31.622 0.00 0.00 -ATOM 1829 H1 H2O C 610 16.742 34.082 31.648 0.00 0.00 -ATOM 1830 H2 H2O C 610 17.786 34.950 32.555 0.00 0.00 -ATOM 1831 O1 H2O C 611 14.696 44.668 28.235 0.00 0.00 -ATOM 1832 H1 H2O C 611 14.724 45.398 27.553 0.00 0.00 -ATOM 1833 H2 H2O C 611 14.083 44.931 28.980 0.00 0.00 -ATOM 1834 O1 H2O C 612 50.453 17.139 16.028 0.00 0.00 -ATOM 1835 H1 H2O C 612 49.687 16.496 16.026 0.00 0.00 -ATOM 1836 H2 H2O C 612 50.158 18.009 15.631 0.00 0.00 -ATOM 1837 O1 H2O C 613 12.215 11.125 55.925 0.00 0.00 -ATOM 1838 H1 H2O C 613 11.911 10.173 55.973 0.00 0.00 -ATOM 1839 H2 H2O C 613 11.477 11.693 55.561 0.00 0.00 -ATOM 1840 O1 H2O C 614 35.304 23.871 51.381 0.00 0.00 -ATOM 1841 H1 H2O C 614 34.731 24.196 50.628 0.00 0.00 -ATOM 1842 H2 H2O C 614 36.198 23.600 51.026 0.00 0.00 -ATOM 1843 O1 H2O C 615 19.420 14.948 47.293 0.00 0.00 -ATOM 1844 H1 H2O C 615 20.240 15.331 47.719 0.00 0.00 -ATOM 1845 H2 H2O C 615 18.665 15.600 47.380 0.00 0.00 -ATOM 1846 O1 H2O C 616 14.084 26.612 35.668 0.00 0.00 -ATOM 1847 H1 H2O C 616 14.992 26.239 35.860 0.00 0.00 -ATOM 1848 H2 H2O C 616 13.439 26.293 36.361 0.00 0.00 -ATOM 1849 O1 H2O C 617 31.552 47.396 10.967 0.00 0.00 -ATOM 1850 H1 H2O C 617 30.864 46.670 10.988 0.00 0.00 -ATOM 1851 H2 H2O C 617 32.465 46.989 10.929 0.00 0.00 -ATOM 1852 O1 H2O C 618 58.392 6.606 49.030 0.00 0.00 -ATOM 1853 H1 H2O C 618 57.648 6.956 48.460 0.00 0.00 -ATOM 1854 H2 H2O C 618 58.058 5.842 49.582 0.00 0.00 -ATOM 1855 O1 H2O C 619 27.823 27.745 4.592 0.00 0.00 -ATOM 1856 H1 H2O C 619 27.198 26.966 4.544 0.00 0.00 -ATOM 1857 H2 H2O C 619 27.719 28.306 3.770 0.00 0.00 -ATOM 1858 O1 H2O C 620 49.453 55.903 18.877 0.00 0.00 -ATOM 1859 H1 H2O C 620 48.491 56.128 19.031 0.00 0.00 -ATOM 1860 H2 H2O C 620 49.530 54.951 18.581 0.00 0.00 -ATOM 1861 O1 H2O C 621 26.371 47.421 41.406 0.00 0.00 -ATOM 1862 H1 H2O C 621 26.921 47.960 42.045 0.00 0.00 -ATOM 1863 H2 H2O C 621 26.332 46.472 41.719 0.00 0.00 -ATOM 1864 O1 H2O C 622 10.695 47.804 33.781 0.00 0.00 -ATOM 1865 H1 H2O C 622 9.936 47.165 33.907 0.00 0.00 -ATOM 1866 H2 H2O C 622 11.307 47.755 34.571 0.00 0.00 -ATOM 1867 O1 H2O C 623 24.548 6.320 55.522 0.00 0.00 -ATOM 1868 H1 H2O C 623 24.779 7.109 54.953 0.00 0.00 -ATOM 1869 H2 H2O C 623 25.335 5.705 55.575 0.00 0.00 -ATOM 1870 O1 H2O C 624 7.084 20.551 10.928 0.00 0.00 -ATOM 1871 H1 H2O C 624 6.706 19.999 11.671 0.00 0.00 -ATOM 1872 H2 H2O C 624 8.024 20.263 10.745 0.00 0.00 -ATOM 1873 O1 H2O C 625 28.272 26.624 54.152 0.00 0.00 -ATOM 1874 H1 H2O C 625 27.717 26.598 53.320 0.00 0.00 -ATOM 1875 H2 H2O C 625 27.838 26.066 54.859 0.00 0.00 -ATOM 1876 O1 H2O C 626 7.099 37.011 31.382 0.00 0.00 -ATOM 1877 H1 H2O C 626 6.607 37.073 32.250 0.00 0.00 -ATOM 1878 H2 H2O C 626 8.075 36.882 31.561 0.00 0.00 -ATOM 1879 O1 H2O C 627 23.730 55.525 47.828 0.00 0.00 -ATOM 1880 H1 H2O C 627 24.511 56.054 48.162 0.00 0.00 -ATOM 1881 H2 H2O C 627 24.005 54.995 47.027 0.00 0.00 -ATOM 1882 O1 H2O C 628 27.006 32.882 39.250 0.00 0.00 -ATOM 1883 H1 H2O C 628 27.600 32.081 39.170 0.00 0.00 -ATOM 1884 H2 H2O C 628 26.131 32.608 39.650 0.00 0.00 -ATOM 1885 O1 H2O C 629 38.987 56.118 49.666 0.00 0.00 -ATOM 1886 H1 H2O C 629 39.515 55.656 48.953 0.00 0.00 -ATOM 1887 H2 H2O C 629 39.356 55.877 50.563 0.00 0.00 -ATOM 1888 O1 H2O C 630 22.790 39.806 51.809 0.00 0.00 -ATOM 1889 H1 H2O C 630 23.156 40.732 51.716 0.00 0.00 -ATOM 1890 H2 H2O C 630 23.020 39.446 52.713 0.00 0.00 -ATOM 1891 O1 H2O C 631 31.793 10.569 44.651 0.00 0.00 -ATOM 1892 H1 H2O C 631 31.550 11.388 44.131 0.00 0.00 -ATOM 1893 H2 H2O C 631 31.292 10.563 45.517 0.00 0.00 -ATOM 1894 O1 H2O C 632 58.112 31.124 33.169 0.00 0.00 -ATOM 1895 H1 H2O C 632 58.247 30.710 32.269 0.00 0.00 -ATOM 1896 H2 H2O C 632 57.249 30.801 33.559 0.00 0.00 -ATOM 1897 O1 H2O C 633 31.847 3.657 13.208 0.00 0.00 -ATOM 1898 H1 H2O C 633 31.088 4.282 13.390 0.00 0.00 -ATOM 1899 H2 H2O C 633 32.692 4.181 13.099 0.00 0.00 -ATOM 1900 O1 H2O C 634 20.964 35.730 7.701 0.00 0.00 -ATOM 1901 H1 H2O C 634 21.169 34.862 7.248 0.00 0.00 -ATOM 1902 H2 H2O C 634 21.281 35.693 8.650 0.00 0.00 -ATOM 1903 O1 H2O C 635 25.872 47.953 14.493 0.00 0.00 -ATOM 1904 H1 H2O C 635 25.359 47.134 14.233 0.00 0.00 -ATOM 1905 H2 H2O C 635 25.780 48.105 15.477 0.00 0.00 -ATOM 1906 O1 H2O C 636 48.673 56.740 48.583 0.00 0.00 -ATOM 1907 H1 H2O C 636 48.305 57.284 49.338 0.00 0.00 -ATOM 1908 H2 H2O C 636 48.037 56.770 47.811 0.00 0.00 -ATOM 1909 O1 H2O C 637 58.779 14.705 57.949 0.00 0.00 -ATOM 1910 H1 H2O C 637 58.201 14.022 57.503 0.00 0.00 -ATOM 1911 H2 H2O C 637 58.204 15.410 58.363 0.00 0.00 -ATOM 1912 O1 H2O C 638 42.206 0.471 39.085 0.00 0.00 -ATOM 1913 H1 H2O C 638 41.768 1.369 39.110 0.00 0.00 -ATOM 1914 H2 H2O C 638 42.156 0.051 39.992 0.00 0.00 -ATOM 1915 O1 H2O C 639 13.331 0.175 19.589 0.00 0.00 -ATOM 1916 H1 H2O C 639 12.440 -0.000 20.008 0.00 0.00 -ATOM 1917 H2 H2O C 639 14.053 -0.001 20.259 0.00 0.00 -ATOM 1918 O1 H2O C 640 46.886 6.968 25.959 0.00 0.00 -ATOM 1919 H1 H2O C 640 46.744 7.223 26.915 0.00 0.00 -ATOM 1920 H2 H2O C 640 46.989 7.794 25.405 0.00 0.00 -ATOM 1921 O1 H2O C 641 49.925 55.217 41.595 0.00 0.00 -ATOM 1922 H1 H2O C 641 50.100 54.590 42.354 0.00 0.00 -ATOM 1923 H2 H2O C 641 48.943 55.398 41.532 0.00 0.00 -ATOM 1924 O1 H2O C 642 29.207 8.404 52.131 0.00 0.00 -ATOM 1925 H1 H2O C 642 28.752 8.686 52.975 0.00 0.00 -ATOM 1926 H2 H2O C 642 28.613 7.778 51.625 0.00 0.00 -ATOM 1927 O1 H2O C 643 24.326 16.949 11.571 0.00 0.00 -ATOM 1928 H1 H2O C 643 25.086 17.559 11.343 0.00 0.00 -ATOM 1929 H2 H2O C 643 23.464 17.452 11.502 0.00 0.00 -ATOM 1930 O1 H2O C 644 24.358 50.760 18.339 0.00 0.00 -ATOM 1931 H1 H2O C 644 23.555 51.193 18.750 0.00 0.00 -ATOM 1932 H2 H2O C 644 24.753 50.108 18.987 0.00 0.00 -ATOM 1933 O1 H2O C 645 18.320 11.276 40.744 0.00 0.00 -ATOM 1934 H1 H2O C 645 17.951 10.366 40.933 0.00 0.00 -ATOM 1935 H2 H2O C 645 18.310 11.820 41.583 0.00 0.00 -ATOM 1936 O1 H2O C 646 51.969 37.426 35.948 0.00 0.00 -ATOM 1937 H1 H2O C 646 52.042 38.297 36.434 0.00 0.00 -ATOM 1938 H2 H2O C 646 52.448 36.716 36.463 0.00 0.00 -ATOM 1939 O1 H2O C 647 5.155 22.792 24.933 0.00 0.00 -ATOM 1940 H1 H2O C 647 4.215 22.735 25.272 0.00 0.00 -ATOM 1941 H2 H2O C 647 5.787 22.508 25.654 0.00 0.00 -ATOM 1942 O1 H2O C 648 8.537 47.758 43.463 0.00 0.00 -ATOM 1943 H1 H2O C 648 9.010 46.881 43.382 0.00 0.00 -ATOM 1944 H2 H2O C 648 9.075 48.375 44.037 0.00 0.00 -ATOM 1945 O1 H2O C 649 22.518 4.470 50.661 0.00 0.00 -ATOM 1946 H1 H2O C 649 22.634 5.448 50.491 0.00 0.00 -ATOM 1947 H2 H2O C 649 22.025 4.337 51.521 0.00 0.00 -ATOM 1948 O1 H2O C 650 9.899 24.604 12.989 0.00 0.00 -ATOM 1949 H1 H2O C 650 9.183 24.687 13.683 0.00 0.00 -ATOM 1950 H2 H2O C 650 10.266 23.673 12.999 0.00 0.00 -ATOM 1951 O1 H2O C 651 22.247 51.345 1.131 0.00 0.00 -ATOM 1952 H1 H2O C 651 21.849 51.184 0.228 0.00 0.00 -ATOM 1953 H2 H2O C 651 22.555 50.477 1.519 0.00 0.00 -ATOM 1954 O1 H2O C 652 5.587 49.543 3.272 0.00 0.00 -ATOM 1955 H1 H2O C 652 5.830 50.507 3.386 0.00 0.00 -ATOM 1956 H2 H2O C 652 6.243 48.974 3.768 0.00 0.00 -ATOM 1957 O1 H2O C 653 36.448 26.549 4.415 0.00 0.00 -ATOM 1958 H1 H2O C 653 37.054 26.316 5.175 0.00 0.00 -ATOM 1959 H2 H2O C 653 36.256 27.531 4.430 0.00 0.00 -ATOM 1960 O1 H2O C 654 22.244 32.510 15.446 0.00 0.00 -ATOM 1961 H1 H2O C 654 22.340 31.544 15.207 0.00 0.00 -ATOM 1962 H2 H2O C 654 23.029 33.021 15.095 0.00 0.00 -ATOM 1963 O1 H2O C 655 9.872 57.031 17.019 0.00 0.00 -ATOM 1964 H1 H2O C 655 9.540 57.491 16.195 0.00 0.00 -ATOM 1965 H2 H2O C 655 10.848 56.838 16.923 0.00 0.00 -ATOM 1966 O1 H2O C 656 35.930 23.670 48.264 0.00 0.00 -ATOM 1967 H1 H2O C 656 35.164 24.229 48.583 0.00 0.00 -ATOM 1968 H2 H2O C 656 36.519 23.441 49.040 0.00 0.00 -ATOM 1969 O1 H2O C 657 43.957 51.385 43.784 0.00 0.00 -ATOM 1970 H1 H2O C 657 44.856 51.770 43.573 0.00 0.00 -ATOM 1971 H2 H2O C 657 43.797 51.436 44.770 0.00 0.00 -ATOM 1972 O1 H2O C 658 46.035 22.494 32.261 0.00 0.00 -ATOM 1973 H1 H2O C 658 46.992 22.264 32.439 0.00 0.00 -ATOM 1974 H2 H2O C 658 45.849 23.421 32.586 0.00 0.00 -ATOM 1975 O1 H2O C 659 58.026 42.859 39.635 0.00 0.00 -ATOM 1976 H1 H2O C 659 58.914 42.708 39.201 0.00 0.00 -ATOM 1977 H2 H2O C 659 58.113 42.740 40.624 0.00 0.00 -ATOM 1978 O1 H2O C 660 20.533 44.687 7.539 0.00 0.00 -ATOM 1979 H1 H2O C 660 20.446 45.676 7.422 0.00 0.00 -ATOM 1980 H2 H2O C 660 19.715 44.235 7.182 0.00 0.00 -ATOM 1981 O1 H2O C 661 33.517 31.022 59.155 0.00 0.00 -ATOM 1982 H1 H2O C 661 33.084 31.920 59.229 0.00 0.00 -ATOM 1983 H2 H2O C 661 33.834 30.881 58.217 0.00 0.00 -ATOM 1984 O1 H2O C 662 6.109 52.797 47.050 0.00 0.00 -ATOM 1985 H1 H2O C 662 6.143 52.854 46.052 0.00 0.00 -ATOM 1986 H2 H2O C 662 6.998 52.498 47.397 0.00 0.00 -ATOM 1987 O1 H2O C 663 55.886 38.278 44.762 0.00 0.00 -ATOM 1988 H1 H2O C 663 56.717 38.054 44.252 0.00 0.00 -ATOM 1989 H2 H2O C 663 55.809 39.270 44.855 0.00 0.00 -ATOM 1990 O1 H2O C 664 55.441 10.160 6.276 0.00 0.00 -ATOM 1991 H1 H2O C 664 55.109 10.422 5.370 0.00 0.00 -ATOM 1992 H2 H2O C 664 55.462 9.163 6.348 0.00 0.00 -ATOM 1993 O1 H2O C 665 55.872 3.509 51.002 0.00 0.00 -ATOM 1994 H1 H2O C 665 56.059 3.304 50.041 0.00 0.00 -ATOM 1995 H2 H2O C 665 54.975 3.144 51.252 0.00 0.00 -ATOM 1996 O1 H2O C 666 45.968 52.754 9.547 0.00 0.00 -ATOM 1997 H1 H2O C 666 45.788 53.059 10.482 0.00 0.00 -ATOM 1998 H2 H2O C 666 45.288 52.069 9.284 0.00 0.00 -ATOM 1999 O1 H2O C 667 56.623 38.994 45.534 0.00 0.00 -ATOM 2000 H1 H2O C 667 56.472 38.137 46.026 0.00 0.00 -ATOM 2001 H2 H2O C 667 55.995 39.047 44.758 0.00 0.00 -ATOM 2002 O1 H2O C 668 20.343 47.110 17.252 0.00 0.00 -ATOM 2003 H1 H2O C 668 20.328 46.958 18.240 0.00 0.00 -ATOM 2004 H2 H2O C 668 21.242 47.455 16.981 0.00 0.00 -ATOM 2005 O1 H2O C 669 22.801 27.760 42.715 0.00 0.00 -ATOM 2006 H1 H2O C 669 22.834 28.543 43.336 0.00 0.00 -ATOM 2007 H2 H2O C 669 23.730 27.519 42.432 0.00 0.00 -ATOM 2008 O1 H2O C 670 55.150 54.004 30.927 0.00 0.00 -ATOM 2009 H1 H2O C 670 55.774 53.642 30.234 0.00 0.00 -ATOM 2010 H2 H2O C 670 55.564 53.905 31.832 0.00 0.00 -ATOM 2011 O1 H2O C 671 25.491 50.540 13.743 0.00 0.00 -ATOM 2012 H1 H2O C 671 26.404 50.231 14.013 0.00 0.00 -ATOM 2013 H2 H2O C 671 25.338 50.321 12.779 0.00 0.00 -ATOM 2014 O1 H2O C 672 58.948 15.573 20.715 0.00 0.00 -ATOM 2015 H1 H2O C 672 59.226 14.626 20.876 0.00 0.00 -ATOM 2016 H2 H2O C 672 59.002 15.775 19.737 0.00 0.00 -ATOM 2017 O1 H2O C 673 50.907 60.125 34.862 0.00 0.00 -ATOM 2018 H1 H2O C 673 51.207 59.176 34.959 0.00 0.00 -ATOM 2019 H2 H2O C 673 51.654 60.675 34.489 0.00 0.00 -ATOM 2020 O1 H2O C 674 6.548 57.884 28.472 0.00 0.00 -ATOM 2021 H1 H2O C 674 6.109 58.779 28.549 0.00 0.00 -ATOM 2022 H2 H2O C 674 5.849 57.168 28.467 0.00 0.00 -ATOM 2023 O1 H2O C 675 57.180 1.612 44.462 0.00 0.00 -ATOM 2024 H1 H2O C 675 57.178 0.793 43.887 0.00 0.00 -ATOM 2025 H2 H2O C 675 57.889 1.525 45.162 0.00 0.00 -ATOM 2026 O1 H2O C 676 34.089 58.189 58.601 0.00 0.00 -ATOM 2027 H1 H2O C 676 34.909 58.658 58.929 0.00 0.00 -ATOM 2028 H2 H2O C 676 34.223 57.910 57.650 0.00 0.00 -ATOM 2029 O1 H2O C 677 37.516 35.324 16.982 0.00 0.00 -ATOM 2030 H1 H2O C 677 37.859 35.407 16.046 0.00 0.00 -ATOM 2031 H2 H2O C 677 36.527 35.179 16.963 0.00 0.00 -ATOM 2032 O1 H2O C 678 28.511 16.931 6.650 0.00 0.00 -ATOM 2033 H1 H2O C 678 28.312 16.919 7.630 0.00 0.00 -ATOM 2034 H2 H2O C 678 28.967 16.079 6.393 0.00 0.00 -ATOM 2035 O1 H2O C 679 30.692 49.035 53.525 0.00 0.00 -ATOM 2036 H1 H2O C 679 31.300 49.573 54.108 0.00 0.00 -ATOM 2037 H2 H2O C 679 30.385 49.596 52.756 0.00 0.00 -ATOM 2038 O1 H2O C 680 51.615 40.769 20.505 0.00 0.00 -ATOM 2039 H1 H2O C 680 51.868 39.855 20.820 0.00 0.00 -ATOM 2040 H2 H2O C 680 52.128 40.990 19.676 0.00 0.00 -ATOM 2041 O1 H2O C 681 22.292 57.450 55.497 0.00 0.00 -ATOM 2042 H1 H2O C 681 21.365 57.286 55.157 0.00 0.00 -ATOM 2043 H2 H2O C 681 22.250 58.036 56.307 0.00 0.00 -ATOM 2044 O1 H2O C 682 12.908 48.586 9.429 0.00 0.00 -ATOM 2045 H1 H2O C 682 12.415 47.748 9.190 0.00 0.00 -ATOM 2046 H2 H2O C 682 13.712 48.354 9.976 0.00 0.00 -ATOM 2047 O1 H2O C 683 12.321 36.386 43.889 0.00 0.00 -ATOM 2048 H1 H2O C 683 12.410 37.197 43.311 0.00 0.00 -ATOM 2049 H2 H2O C 683 11.370 36.288 44.182 0.00 0.00 -ATOM 2050 O1 H2O C 684 53.816 11.190 6.380 0.00 0.00 -ATOM 2051 H1 H2O C 684 53.750 11.656 5.498 0.00 0.00 -ATOM 2052 H2 H2O C 684 52.897 11.025 6.740 0.00 0.00 -ATOM 2053 O1 H2O C 685 53.288 18.467 58.023 0.00 0.00 -ATOM 2054 H1 H2O C 685 53.445 17.481 58.086 0.00 0.00 -ATOM 2055 H2 H2O C 685 52.309 18.643 57.923 0.00 0.00 -ATOM 2056 O1 H2O C 686 58.651 10.099 35.143 0.00 0.00 -ATOM 2057 H1 H2O C 686 57.662 9.962 35.198 0.00 0.00 -ATOM 2058 H2 H2O C 686 59.093 9.238 34.891 0.00 0.00 -ATOM 2059 O1 H2O C 687 20.026 8.907 56.028 0.00 0.00 -ATOM 2060 H1 H2O C 687 20.936 9.230 56.289 0.00 0.00 -ATOM 2061 H2 H2O C 687 19.984 8.796 55.035 0.00 0.00 -ATOM 2062 O1 H2O C 688 27.990 41.461 15.352 0.00 0.00 -ATOM 2063 H1 H2O C 688 28.480 40.613 15.150 0.00 0.00 -ATOM 2064 H2 H2O C 688 28.621 42.121 15.760 0.00 0.00 -ATOM 2065 O1 H2O C 689 11.242 56.896 2.928 0.00 0.00 -ATOM 2066 H1 H2O C 689 12.156 56.936 3.333 0.00 0.00 -ATOM 2067 H2 H2O C 689 10.801 56.036 3.186 0.00 0.00 -ATOM 2068 O1 H2O C 690 54.270 8.158 57.794 0.00 0.00 -ATOM 2069 H1 H2O C 690 53.450 8.504 57.338 0.00 0.00 -ATOM 2070 H2 H2O C 690 54.435 7.213 57.511 0.00 0.00 -ATOM 2071 O1 H2O C 691 31.554 59.351 32.966 0.00 0.00 -ATOM 2072 H1 H2O C 691 32.022 58.642 33.492 0.00 0.00 -ATOM 2073 H2 H2O C 691 30.778 58.949 32.480 0.00 0.00 -ATOM 2074 O1 H2O C 692 52.861 38.328 31.423 0.00 0.00 -ATOM 2075 H1 H2O C 692 52.260 37.591 31.114 0.00 0.00 -ATOM 2076 H2 H2O C 692 53.558 38.504 30.728 0.00 0.00 -ATOM 2077 O1 H2O C 693 12.802 55.833 51.667 0.00 0.00 -ATOM 2078 H1 H2O C 693 12.366 55.589 50.801 0.00 0.00 -ATOM 2079 H2 H2O C 693 12.373 56.658 52.036 0.00 0.00 -ATOM 2080 O1 H2O C 694 26.133 12.872 42.101 0.00 0.00 -ATOM 2081 H1 H2O C 694 26.565 12.070 42.514 0.00 0.00 -ATOM 2082 H2 H2O C 694 25.639 12.597 41.276 0.00 0.00 -ATOM 2083 O1 H2O C 695 52.992 50.486 16.602 0.00 0.00 -ATOM 2084 H1 H2O C 695 52.345 50.730 17.325 0.00 0.00 -ATOM 2085 H2 H2O C 695 53.675 51.211 16.508 0.00 0.00 -ATOM 2086 O1 H2O C 696 13.995 9.953 8.896 0.00 0.00 -ATOM 2087 H1 H2O C 696 13.741 10.675 9.540 0.00 0.00 -ATOM 2088 H2 H2O C 696 13.285 9.249 8.888 0.00 0.00 -ATOM 2089 O1 H2O C 697 26.738 27.940 12.947 0.00 0.00 -ATOM 2090 H1 H2O C 697 27.117 27.747 13.852 0.00 0.00 -ATOM 2091 H2 H2O C 697 25.842 27.505 12.862 0.00 0.00 -ATOM 2092 O1 H2O C 698 20.754 19.987 49.709 0.00 0.00 -ATOM 2093 H1 H2O C 698 20.400 20.860 49.373 0.00 0.00 -ATOM 2094 H2 H2O C 698 21.325 19.566 49.004 0.00 0.00 -ATOM 2095 O1 H2O C 699 50.787 49.186 56.958 0.00 0.00 -ATOM 2096 H1 H2O C 699 51.649 48.867 56.562 0.00 0.00 -ATOM 2097 H2 H2O C 699 50.493 50.019 56.488 0.00 0.00 -ATOM 2098 O1 H2O C 700 31.059 20.289 27.003 0.00 0.00 -ATOM 2099 H1 H2O C 700 30.647 19.587 26.421 0.00 0.00 -ATOM 2100 H2 H2O C 700 30.548 20.354 27.860 0.00 0.00 -ATOM 2101 O1 H2O C 701 18.115 56.441 37.738 0.00 0.00 -ATOM 2102 H1 H2O C 701 17.880 55.615 37.226 0.00 0.00 -ATOM 2103 H2 H2O C 701 17.528 56.511 38.545 0.00 0.00 -ATOM 2104 O1 H2O C 702 7.882 44.386 25.454 0.00 0.00 -ATOM 2105 H1 H2O C 702 8.269 45.289 25.267 0.00 0.00 -ATOM 2106 H2 H2O C 702 6.900 44.473 25.624 0.00 0.00 -ATOM 2107 O1 H2O C 703 12.753 37.901 13.545 0.00 0.00 -ATOM 2108 H1 H2O C 703 12.391 37.984 14.474 0.00 0.00 -ATOM 2109 H2 H2O C 703 12.598 36.971 13.210 0.00 0.00 -ATOM 2110 O1 H2O C 704 4.703 4.798 1.650 0.00 0.00 -ATOM 2111 H1 H2O C 704 5.603 4.367 1.701 0.00 0.00 -ATOM 2112 H2 H2O C 704 4.168 4.369 0.922 0.00 0.00 -ATOM 2113 O1 H2O C 705 1.092 29.844 50.254 0.00 0.00 -ATOM 2114 H1 H2O C 705 1.236 30.407 49.441 0.00 0.00 -ATOM 2115 H2 H2O C 705 1.190 28.879 50.013 0.00 0.00 -ATOM 2116 O1 H2O C 706 36.487 46.950 54.691 0.00 0.00 -ATOM 2117 H1 H2O C 706 35.612 47.431 54.758 0.00 0.00 -ATOM 2118 H2 H2O C 706 36.612 46.372 55.498 0.00 0.00 -ATOM 2119 O1 H2O C 707 0.829 42.119 42.753 0.00 0.00 -ATOM 2120 H1 H2O C 707 0.147 42.532 42.149 0.00 0.00 -ATOM 2121 H2 H2O C 707 0.661 41.136 42.823 0.00 0.00 -ATOM 2122 O1 H2O C 708 3.264 11.657 42.472 0.00 0.00 -ATOM 2123 H1 H2O C 708 2.424 12.026 42.870 0.00 0.00 -ATOM 2124 H2 H2O C 708 3.807 12.403 42.086 0.00 0.00 -ATOM 2125 O1 H2O C 709 47.141 50.610 44.268 0.00 0.00 -ATOM 2126 H1 H2O C 709 47.045 50.675 43.275 0.00 0.00 -ATOM 2127 H2 H2O C 709 46.890 51.483 44.686 0.00 0.00 -ATOM 2128 O1 H2O C 710 36.967 39.956 39.457 0.00 0.00 -ATOM 2129 H1 H2O C 710 37.786 39.842 38.893 0.00 0.00 -ATOM 2130 H2 H2O C 710 36.749 40.929 39.536 0.00 0.00 -ATOM 2131 O1 H2O C 711 45.365 53.880 39.004 0.00 0.00 -ATOM 2132 H1 H2O C 711 44.480 54.304 39.201 0.00 0.00 -ATOM 2133 H2 H2O C 711 45.314 52.900 39.192 0.00 0.00 -ATOM 2134 O1 H2O C 712 48.360 26.359 24.505 0.00 0.00 -ATOM 2135 H1 H2O C 712 48.500 26.732 23.588 0.00 0.00 -ATOM 2136 H2 H2O C 712 48.819 26.942 25.176 0.00 0.00 -ATOM 2137 O1 H2O C 713 57.758 51.079 31.024 0.00 0.00 -ATOM 2138 H1 H2O C 713 56.856 50.744 31.299 0.00 0.00 -ATOM 2139 H2 H2O C 713 57.693 51.504 30.120 0.00 0.00 -ATOM 2140 O1 H2O C 714 26.484 54.769 40.293 0.00 0.00 -ATOM 2141 H1 H2O C 714 26.309 54.273 41.144 0.00 0.00 -ATOM 2142 H2 H2O C 714 26.911 55.649 40.503 0.00 0.00 -ATOM 2143 O1 H2O C 715 5.956 2.954 25.518 0.00 0.00 -ATOM 2144 H1 H2O C 715 6.188 2.233 26.171 0.00 0.00 -ATOM 2145 H2 H2O C 715 4.968 2.958 25.363 0.00 0.00 -ATOM 2146 O1 H2O C 716 0.491 16.099 19.737 0.00 0.00 -ATOM 2147 H1 H2O C 716 1.111 15.631 19.107 0.00 0.00 -ATOM 2148 H2 H2O C 716 0.730 15.859 20.679 0.00 0.00 -ATOM 2149 O1 H2O C 717 16.927 24.314 51.097 0.00 0.00 -ATOM 2150 H1 H2O C 717 16.966 25.291 51.311 0.00 0.00 -ATOM 2151 H2 H2O C 717 17.758 23.867 51.431 0.00 0.00 -ATOM 2152 O1 H2O C 718 27.477 14.546 9.568 0.00 0.00 -ATOM 2153 H1 H2O C 718 26.956 13.848 10.058 0.00 0.00 -ATOM 2154 H2 H2O C 718 28.175 14.106 9.002 0.00 0.00 -ATOM 2155 O1 H2O C 719 43.284 19.751 3.683 0.00 0.00 -ATOM 2156 H1 H2O C 719 43.574 20.703 3.783 0.00 0.00 -ATOM 2157 H2 H2O C 719 44.074 19.186 3.444 0.00 0.00 -ATOM 2158 O1 H2O C 720 16.079 47.614 3.807 0.00 0.00 -ATOM 2159 H1 H2O C 720 15.260 47.684 3.236 0.00 0.00 -ATOM 2160 H2 H2O C 720 15.824 47.726 4.768 0.00 0.00 -ATOM 2161 O1 H2O C 721 42.358 14.669 4.382 0.00 0.00 -ATOM 2162 H1 H2O C 721 41.517 15.210 4.420 0.00 0.00 -ATOM 2163 H2 H2O C 721 42.793 14.794 3.489 0.00 0.00 -ATOM 2164 O1 H2O C 722 48.105 2.338 12.908 0.00 0.00 -ATOM 2165 H1 H2O C 722 47.932 1.567 12.295 0.00 0.00 -ATOM 2166 H2 H2O C 722 48.710 2.045 13.649 0.00 0.00 -ATOM 2167 O1 H2O C 723 11.637 22.756 24.955 0.00 0.00 -ATOM 2168 H1 H2O C 723 12.396 22.158 25.214 0.00 0.00 -ATOM 2169 H2 H2O C 723 11.856 23.219 24.096 0.00 0.00 -ATOM 2170 O1 H2O C 724 36.460 31.591 46.961 0.00 0.00 -ATOM 2171 H1 H2O C 724 36.110 30.656 47.029 0.00 0.00 -ATOM 2172 H2 H2O C 724 36.243 31.962 46.058 0.00 0.00 -ATOM 2173 O1 H2O C 725 27.246 33.024 4.873 0.00 0.00 -ATOM 2174 H1 H2O C 725 26.730 33.188 4.033 0.00 0.00 -ATOM 2175 H2 H2O C 725 26.933 32.172 5.295 0.00 0.00 -ATOM 2176 O1 H2O C 726 46.839 56.975 43.211 0.00 0.00 -ATOM 2177 H1 H2O C 726 47.121 57.760 42.659 0.00 0.00 -ATOM 2178 H2 H2O C 726 45.939 56.662 42.909 0.00 0.00 -ATOM 2179 O1 H2O C 727 16.915 15.871 24.226 0.00 0.00 -ATOM 2180 H1 H2O C 727 16.425 16.136 23.396 0.00 0.00 -ATOM 2181 H2 H2O C 727 17.734 15.353 23.979 0.00 0.00 -ATOM 2182 O1 H2O C 728 39.094 16.429 10.518 0.00 0.00 -ATOM 2183 H1 H2O C 728 39.865 15.872 10.827 0.00 0.00 -ATOM 2184 H2 H2O C 728 38.766 16.086 9.638 0.00 0.00 -ATOM 2185 O1 H2O C 729 1.889 46.442 57.041 0.00 0.00 -ATOM 2186 H1 H2O C 729 2.772 46.720 56.663 0.00 0.00 -ATOM 2187 H2 H2O C 729 1.590 45.595 56.603 0.00 0.00 -ATOM 2188 O1 H2O C 730 0.660 20.682 36.350 0.00 0.00 -ATOM 2189 H1 H2O C 730 1.197 20.315 35.591 0.00 0.00 -ATOM 2190 H2 H2O C 730 -0.312 20.517 36.182 0.00 0.00 -ATOM 2191 O1 H2O C 731 18.385 48.253 29.407 0.00 0.00 -ATOM 2192 H1 H2O C 731 19.172 48.793 29.706 0.00 0.00 -ATOM 2193 H2 H2O C 731 18.063 47.684 30.164 0.00 0.00 -ATOM 2194 O1 H2O C 732 55.224 43.163 9.918 0.00 0.00 -ATOM 2195 H1 H2O C 732 56.207 43.151 9.733 0.00 0.00 -ATOM 2196 H2 H2O C 732 54.839 44.036 9.619 0.00 0.00 -ATOM 2197 O1 H2O C 733 31.189 53.226 8.832 0.00 0.00 -ATOM 2198 H1 H2O C 733 32.034 52.996 8.349 0.00 0.00 -ATOM 2199 H2 H2O C 733 30.485 53.482 8.169 0.00 0.00 -ATOM 2200 O1 H2O C 734 31.611 56.929 19.294 0.00 0.00 -ATOM 2201 H1 H2O C 734 31.562 57.811 19.761 0.00 0.00 -ATOM 2202 H2 H2O C 734 30.996 56.935 18.505 0.00 0.00 -ATOM 2203 O1 H2O C 735 26.148 58.942 18.784 0.00 0.00 -ATOM 2204 H1 H2O C 735 26.375 59.428 19.628 0.00 0.00 -ATOM 2205 H2 H2O C 735 25.154 58.873 18.697 0.00 0.00 -ATOM 2206 O1 H2O C 736 51.800 7.616 2.866 0.00 0.00 -ATOM 2207 H1 H2O C 736 51.724 6.700 2.472 0.00 0.00 -ATOM 2208 H2 H2O C 736 52.702 7.995 2.657 0.00 0.00 -ATOM 2209 O1 H2O C 737 57.167 9.219 25.958 0.00 0.00 -ATOM 2210 H1 H2O C 737 58.159 9.345 25.968 0.00 0.00 -ATOM 2211 H2 H2O C 737 56.720 10.101 25.811 0.00 0.00 -ATOM 2212 O1 H2O C 738 1.342 19.495 25.103 0.00 0.00 -ATOM 2213 H1 H2O C 738 1.864 19.545 24.251 0.00 0.00 -ATOM 2214 H2 H2O C 738 0.961 20.396 25.313 0.00 0.00 -ATOM 2215 O1 H2O C 739 51.643 18.331 11.613 0.00 0.00 -ATOM 2216 H1 H2O C 739 52.080 17.455 11.817 0.00 0.00 -ATOM 2217 H2 H2O C 739 50.679 18.292 11.877 0.00 0.00 -ATOM 2218 O1 H2O C 740 33.065 56.955 9.412 0.00 0.00 -ATOM 2219 H1 H2O C 740 33.502 57.673 9.954 0.00 0.00 -ATOM 2220 H2 H2O C 740 32.191 57.290 9.059 0.00 0.00 -ATOM 2221 O1 H2O C 741 10.195 8.921 34.176 0.00 0.00 -ATOM 2222 H1 H2O C 741 10.542 8.278 33.492 0.00 0.00 -ATOM 2223 H2 H2O C 741 10.486 8.626 35.087 0.00 0.00 -ATOM 2224 O1 H2O C 742 48.524 20.896 18.762 0.00 0.00 -ATOM 2225 H1 H2O C 742 48.357 20.563 19.691 0.00 0.00 -ATOM 2226 H2 H2O C 742 47.707 21.363 18.424 0.00 0.00 -ATOM 2227 O1 H2O C 743 51.812 28.878 28.977 0.00 0.00 -ATOM 2228 H1 H2O C 743 51.686 28.127 29.626 0.00 0.00 -ATOM 2229 H2 H2O C 743 50.978 28.995 28.438 0.00 0.00 -ATOM 2230 O1 H2O C 744 20.458 7.032 52.729 0.00 0.00 -ATOM 2231 H1 H2O C 744 19.687 7.448 53.211 0.00 0.00 -ATOM 2232 H2 H2O C 744 20.396 7.245 51.754 0.00 0.00 -ATOM 2233 O1 H2O C 745 43.278 24.917 39.046 0.00 0.00 -ATOM 2234 H1 H2O C 745 42.730 24.129 39.325 0.00 0.00 -ATOM 2235 H2 H2O C 745 43.041 25.706 39.614 0.00 0.00 -ATOM 2236 O1 H2O C 746 1.779 37.875 8.735 0.00 0.00 -ATOM 2237 H1 H2O C 746 2.663 37.419 8.832 0.00 0.00 -ATOM 2238 H2 H2O C 746 1.066 37.191 8.577 0.00 0.00 -ATOM 2239 O1 H2O C 747 30.090 59.261 26.915 0.00 0.00 -ATOM 2240 H1 H2O C 747 30.843 59.347 26.262 0.00 0.00 -ATOM 2241 H2 H2O C 747 30.209 58.427 27.454 0.00 0.00 -ATOM 2242 O1 H2O C 748 38.380 20.788 3.180 0.00 0.00 -ATOM 2243 H1 H2O C 748 37.702 20.101 3.445 0.00 0.00 -ATOM 2244 H2 H2O C 748 38.007 21.702 3.340 0.00 0.00 -ATOM 2245 O1 H2O C 749 1.000 48.356 50.679 0.00 0.00 -ATOM 2246 H1 H2O C 749 0.001 48.410 50.701 0.00 0.00 -ATOM 2247 H2 H2O C 749 1.369 48.676 51.552 0.00 0.00 -ATOM 2248 O1 H2O C 750 57.437 40.228 16.095 0.00 0.00 -ATOM 2249 H1 H2O C 750 57.806 41.154 16.180 0.00 0.00 -ATOM 2250 H2 H2O C 750 58.147 39.617 15.743 0.00 0.00 -ATOM 2251 O1 H2O C 751 35.762 0.081 35.881 0.00 0.00 -ATOM 2252 H1 H2O C 751 36.209 0.920 36.193 0.00 0.00 -ATOM 2253 H2 H2O C 751 34.916 0.313 35.401 0.00 0.00 -ATOM 2254 O1 H2O C 752 31.360 7.357 59.477 0.00 0.00 -ATOM 2255 H1 H2O C 752 32.256 7.221 59.054 0.00 0.00 -ATOM 2256 H2 H2O C 752 31.384 8.173 60.054 0.00 0.00 -ATOM 2257 O1 H2O C 753 58.903 22.312 52.785 0.00 0.00 -ATOM 2258 H1 H2O C 753 58.751 21.910 53.688 0.00 0.00 -ATOM 2259 H2 H2O C 753 58.040 22.671 52.430 0.00 0.00 -ATOM 2260 O1 H2O C 754 51.970 5.986 56.739 0.00 0.00 -ATOM 2261 H1 H2O C 754 52.148 5.461 55.907 0.00 0.00 -ATOM 2262 H2 H2O C 754 51.640 6.897 56.493 0.00 0.00 -ATOM 2263 O1 H2O C 755 36.948 21.189 23.778 0.00 0.00 -ATOM 2264 H1 H2O C 755 37.783 20.671 23.964 0.00 0.00 -ATOM 2265 H2 H2O C 755 36.165 20.716 24.181 0.00 0.00 -ATOM 2266 O1 H2O C 756 4.403 26.854 59.402 0.00 0.00 -ATOM 2267 H1 H2O C 756 3.485 26.803 59.007 0.00 0.00 -ATOM 2268 H2 H2O C 756 4.961 27.487 58.865 0.00 0.00 -ATOM 2269 O1 H2O C 757 29.742 32.114 3.501 0.00 0.00 -ATOM 2270 H1 H2O C 757 30.573 32.389 3.017 0.00 0.00 -ATOM 2271 H2 H2O C 757 29.448 31.216 3.174 0.00 0.00 -ATOM 2272 O1 H2O C 758 27.357 56.827 49.960 0.00 0.00 -ATOM 2273 H1 H2O C 758 28.081 56.153 50.110 0.00 0.00 -ATOM 2274 H2 H2O C 758 27.598 57.407 49.182 0.00 0.00 -ATOM 2275 O1 H2O C 759 15.897 35.641 23.958 0.00 0.00 -ATOM 2276 H1 H2O C 759 15.103 35.976 23.450 0.00 0.00 -ATOM 2277 H2 H2O C 759 16.713 35.713 23.386 0.00 0.00 -ATOM 2278 O1 H2O C 760 46.641 34.427 27.739 0.00 0.00 -ATOM 2279 H1 H2O C 760 47.024 35.323 27.511 0.00 0.00 -ATOM 2280 H2 H2O C 760 45.743 34.547 28.164 0.00 0.00 -ATOM 2281 O1 H2O C 761 10.582 51.990 56.989 0.00 0.00 -ATOM 2282 H1 H2O C 761 9.655 51.631 56.887 0.00 0.00 -ATOM 2283 H2 H2O C 761 10.885 51.866 57.934 0.00 0.00 -ATOM 2284 O1 H2O C 762 25.020 11.136 28.215 0.00 0.00 -ATOM 2285 H1 H2O C 762 24.549 11.634 28.944 0.00 0.00 -ATOM 2286 H2 H2O C 762 25.438 11.787 27.582 0.00 0.00 -ATOM 2287 O1 H2O C 763 48.995 21.411 27.738 0.00 0.00 -ATOM 2288 H1 H2O C 763 48.283 21.327 28.437 0.00 0.00 -ATOM 2289 H2 H2O C 763 49.667 20.680 27.860 0.00 0.00 -ATOM 2290 O1 H2O C 764 13.086 31.854 30.373 0.00 0.00 -ATOM 2291 H1 H2O C 764 12.110 31.942 30.176 0.00 0.00 -ATOM 2292 H2 H2O C 764 13.360 30.896 30.280 0.00 0.00 -ATOM 2293 O1 H2O C 765 22.592 50.924 7.381 0.00 0.00 -ATOM 2294 H1 H2O C 765 23.109 50.223 6.889 0.00 0.00 -ATOM 2295 H2 H2O C 765 21.639 50.910 7.079 0.00 0.00 -ATOM 2296 O1 H2O C 766 18.260 32.502 57.471 0.00 0.00 -ATOM 2297 H1 H2O C 766 17.833 32.154 56.636 0.00 0.00 -ATOM 2298 H2 H2O C 766 18.883 31.812 57.839 0.00 0.00 -ATOM 2299 O1 H2O C 767 12.669 29.496 47.410 0.00 0.00 -ATOM 2300 H1 H2O C 767 11.959 30.032 47.866 0.00 0.00 -ATOM 2301 H2 H2O C 767 13.569 29.849 47.663 0.00 0.00 -ATOM 2302 O1 H2O C 768 57.868 40.909 59.310 0.00 0.00 -ATOM 2303 H1 H2O C 768 57.989 40.699 58.340 0.00 0.00 -ATOM 2304 H2 H2O C 768 57.204 41.651 59.409 0.00 0.00 -ATOM 2305 O1 H2O C 769 20.970 7.115 16.985 0.00 0.00 -ATOM 2306 H1 H2O C 769 21.541 7.122 17.805 0.00 0.00 -ATOM 2307 H2 H2O C 769 20.671 8.047 16.779 0.00 0.00 -ATOM 2308 O1 H2O C 770 32.429 41.970 23.390 0.00 0.00 -ATOM 2309 H1 H2O C 770 32.181 42.937 23.458 0.00 0.00 -ATOM 2310 H2 H2O C 770 32.132 41.613 22.504 0.00 0.00 -ATOM 2311 O1 H2O C 771 1.945 44.588 57.404 0.00 0.00 -ATOM 2312 H1 H2O C 771 2.885 44.329 57.627 0.00 0.00 -ATOM 2313 H2 H2O C 771 1.357 44.421 58.195 0.00 0.00 -ATOM 2314 O1 H2O C 772 34.302 48.955 35.382 0.00 0.00 -ATOM 2315 H1 H2O C 772 34.458 48.038 35.750 0.00 0.00 -ATOM 2316 H2 H2O C 772 34.916 49.603 35.832 0.00 0.00 -ATOM 2317 O1 H2O C 773 33.406 28.498 46.621 0.00 0.00 -ATOM 2318 H1 H2O C 773 32.948 28.078 45.837 0.00 0.00 -ATOM 2319 H2 H2O C 773 32.777 28.525 47.398 0.00 0.00 -ATOM 2320 O1 H2O C 774 42.781 54.790 56.096 0.00 0.00 -ATOM 2321 H1 H2O C 774 43.551 54.442 56.631 0.00 0.00 -ATOM 2322 H2 H2O C 774 41.927 54.611 56.584 0.00 0.00 -ATOM 2323 O1 H2O C 775 21.440 4.079 2.567 0.00 0.00 -ATOM 2324 H1 H2O C 775 21.158 3.395 1.894 0.00 0.00 -ATOM 2325 H2 H2O C 775 20.740 4.155 3.278 0.00 0.00 -ATOM 2326 O1 H2O C 776 38.541 51.546 54.013 0.00 0.00 -ATOM 2327 H1 H2O C 776 39.265 51.360 53.349 0.00 0.00 -ATOM 2328 H2 H2O C 776 38.870 51.335 54.933 0.00 0.00 -ATOM 2329 O1 H2O C 777 46.876 8.878 16.180 0.00 0.00 -ATOM 2330 H1 H2O C 777 45.979 8.502 16.414 0.00 0.00 -ATOM 2331 H2 H2O C 777 46.762 9.790 15.785 0.00 0.00 -ATOM 2332 O1 H2O C 778 22.437 38.250 32.239 0.00 0.00 -ATOM 2333 H1 H2O C 778 21.592 38.787 32.250 0.00 0.00 -ATOM 2334 H2 H2O C 778 22.815 38.245 31.312 0.00 0.00 -ATOM 2335 O1 H2O C 779 52.162 16.079 44.063 0.00 0.00 -ATOM 2336 H1 H2O C 779 51.748 15.176 44.190 0.00 0.00 -ATOM 2337 H2 H2O C 779 51.598 16.617 43.435 0.00 0.00 -ATOM 2338 O1 H2O C 780 46.442 28.555 23.299 0.00 0.00 -ATOM 2339 H1 H2O C 780 47.426 28.697 23.187 0.00 0.00 -ATOM 2340 H2 H2O C 780 46.230 28.444 24.270 0.00 0.00 -ATOM 2341 O1 H2O C 781 19.741 16.911 4.267 0.00 0.00 -ATOM 2342 H1 H2O C 781 19.656 17.729 4.836 0.00 0.00 -ATOM 2343 H2 H2O C 781 19.146 16.998 3.468 0.00 0.00 -ATOM 2344 O1 H2O C 782 39.378 45.653 51.797 0.00 0.00 -ATOM 2345 H1 H2O C 782 39.070 46.004 52.682 0.00 0.00 -ATOM 2346 H2 H2O C 782 39.283 46.368 51.104 0.00 0.00 -ATOM 2347 O1 H2O C 783 4.668 10.276 34.135 0.00 0.00 -ATOM 2348 H1 H2O C 783 3.829 10.511 33.643 0.00 0.00 -ATOM 2349 H2 H2O C 783 4.720 9.284 34.249 0.00 0.00 -ATOM 2350 O1 H2O C 784 41.844 53.078 6.890 0.00 0.00 -ATOM 2351 H1 H2O C 784 41.533 53.224 5.951 0.00 0.00 -ATOM 2352 H2 H2O C 784 42.490 52.314 6.912 0.00 0.00 -ATOM 2353 O1 H2O C 785 34.693 24.848 59.019 0.00 0.00 -ATOM 2354 H1 H2O C 785 34.790 23.935 58.623 0.00 0.00 -ATOM 2355 H2 H2O C 785 33.722 25.066 59.121 0.00 0.00 -ATOM 2356 O1 H2O C 786 35.346 18.740 27.139 0.00 0.00 -ATOM 2357 H1 H2O C 786 35.535 17.772 26.978 0.00 0.00 -ATOM 2358 H2 H2O C 786 34.692 18.831 27.890 0.00 0.00 -ATOM 2359 O1 H2O C 787 33.938 28.460 32.956 0.00 0.00 -ATOM 2360 H1 H2O C 787 33.977 29.327 33.452 0.00 0.00 -ATOM 2361 H2 H2O C 787 33.800 27.711 33.605 0.00 0.00 -ATOM 2362 O1 H2O C 788 14.115 8.806 14.028 0.00 0.00 -ATOM 2363 H1 H2O C 788 14.390 8.501 14.940 0.00 0.00 -ATOM 2364 H2 H2O C 788 14.780 8.484 13.354 0.00 0.00 -ATOM 2365 O1 H2O C 789 40.044 50.729 59.786 0.00 0.00 -ATOM 2366 H1 H2O C 789 40.909 50.825 59.292 0.00 0.00 -ATOM 2367 H2 H2O C 789 39.646 51.634 59.939 0.00 0.00 -ATOM 2368 O1 H2O C 790 40.391 24.318 47.203 0.00 0.00 -ATOM 2369 H1 H2O C 790 39.504 24.780 47.202 0.00 0.00 -ATOM 2370 H2 H2O C 790 40.410 23.635 46.473 0.00 0.00 -ATOM 2371 O1 H2O C 791 39.183 40.012 30.449 0.00 0.00 -ATOM 2372 H1 H2O C 791 38.829 39.101 30.240 0.00 0.00 -ATOM 2373 H2 H2O C 791 38.521 40.702 30.156 0.00 0.00 -ATOM 2374 O1 H2O C 792 46.560 49.047 22.725 0.00 0.00 -ATOM 2375 H1 H2O C 792 47.097 48.850 23.545 0.00 0.00 -ATOM 2376 H2 H2O C 792 45.720 48.504 22.738 0.00 0.00 -ATOM 2377 O1 H2O C 793 38.742 52.542 24.796 0.00 0.00 -ATOM 2378 H1 H2O C 793 38.944 51.815 24.140 0.00 0.00 -ATOM 2379 H2 H2O C 793 39.379 53.301 24.660 0.00 0.00 -ATOM 2380 O1 H2O C 794 29.118 50.021 18.120 0.00 0.00 -ATOM 2381 H1 H2O C 794 29.835 49.325 18.087 0.00 0.00 -ATOM 2382 H2 H2O C 794 28.420 49.749 18.782 0.00 0.00 -ATOM 2383 O1 H2O C 795 59.109 7.599 17.208 0.00 0.00 -ATOM 2384 H1 H2O C 795 59.706 8.301 17.596 0.00 0.00 -ATOM 2385 H2 H2O C 795 58.168 7.758 17.508 0.00 0.00 -ATOM 2386 O1 H2O C 796 10.278 41.466 53.593 0.00 0.00 -ATOM 2387 H1 H2O C 796 9.995 42.049 52.832 0.00 0.00 -ATOM 2388 H2 H2O C 796 11.272 41.505 53.691 0.00 0.00 -ATOM 2389 O1 H2O C 797 32.027 52.746 35.028 0.00 0.00 -ATOM 2390 H1 H2O C 797 32.409 51.822 35.018 0.00 0.00 -ATOM 2391 H2 H2O C 797 32.468 53.296 34.317 0.00 0.00 -ATOM 2392 O1 H2O C 798 6.426 26.645 53.193 0.00 0.00 -ATOM 2393 H1 H2O C 798 5.865 25.829 53.052 0.00 0.00 -ATOM 2394 H2 H2O C 798 7.291 26.544 52.701 0.00 0.00 -ATOM 2395 O1 H2O C 799 25.083 56.727 32.823 0.00 0.00 -ATOM 2396 H1 H2O C 799 25.623 56.143 32.217 0.00 0.00 -ATOM 2397 H2 H2O C 799 24.651 57.453 32.288 0.00 0.00 -ATOM 2398 O1 H2O C 800 20.427 21.568 47.034 0.00 0.00 -ATOM 2399 H1 H2O C 800 19.624 21.124 47.433 0.00 0.00 -ATOM 2400 H2 H2O C 800 21.229 21.373 47.601 0.00 0.00 -ATOM 2401 O1 H2O C 801 16.627 28.580 32.914 0.00 0.00 -ATOM 2402 H1 H2O C 801 16.391 28.836 31.976 0.00 0.00 -ATOM 2403 H2 H2O C 801 17.589 28.794 33.085 0.00 0.00 -ATOM 2404 O1 H2O C 802 53.222 6.404 30.045 0.00 0.00 -ATOM 2405 H1 H2O C 802 54.163 6.731 29.955 0.00 0.00 -ATOM 2406 H2 H2O C 802 52.661 7.118 30.464 0.00 0.00 -ATOM 2407 O1 H2O C 803 9.982 14.423 54.443 0.00 0.00 -ATOM 2408 H1 H2O C 803 9.836 14.251 55.417 0.00 0.00 -ATOM 2409 H2 H2O C 803 10.963 14.424 54.247 0.00 0.00 -ATOM 2410 O1 H2O C 804 12.605 30.466 56.599 0.00 0.00 -ATOM 2411 H1 H2O C 804 13.184 31.056 56.037 0.00 0.00 -ATOM 2412 H2 H2O C 804 12.438 30.906 57.482 0.00 0.00 -ATOM 2413 O1 H2O C 805 8.557 32.143 46.058 0.00 0.00 -ATOM 2414 H1 H2O C 805 7.580 31.950 45.970 0.00 0.00 -ATOM 2415 H2 H2O C 805 8.685 33.082 46.375 0.00 0.00 -ATOM 2416 O1 H2O C 806 11.312 49.528 57.345 0.00 0.00 -ATOM 2417 H1 H2O C 806 10.417 49.121 57.533 0.00 0.00 -ATOM 2418 H2 H2O C 806 11.194 50.487 57.087 0.00 0.00 -ATOM 2419 O1 H2O C 807 21.335 7.935 59.867 0.00 0.00 -ATOM 2420 H1 H2O C 807 20.650 7.566 59.238 0.00 0.00 -ATOM 2421 H2 H2O C 807 22.241 7.603 59.604 0.00 0.00 -ATOM 2422 O1 H2O C 808 22.364 52.603 21.164 0.00 0.00 -ATOM 2423 H1 H2O C 808 22.416 51.635 20.918 0.00 0.00 -ATOM 2424 H2 H2O C 808 21.461 52.801 21.548 0.00 0.00 -ATOM 2425 O1 H2O C 809 14.269 18.290 8.044 0.00 0.00 -ATOM 2426 H1 H2O C 809 13.752 18.717 7.300 0.00 0.00 -ATOM 2427 H2 H2O C 809 14.676 19.002 8.616 0.00 0.00 -ATOM 2428 O1 H2O C 810 18.864 50.036 26.263 0.00 0.00 -ATOM 2429 H1 H2O C 810 18.476 49.293 26.810 0.00 0.00 -ATOM 2430 H2 H2O C 810 19.585 50.492 26.787 0.00 0.00 -ATOM 2431 O1 H2O C 811 55.316 15.970 18.207 0.00 0.00 -ATOM 2432 H1 H2O C 811 56.295 15.845 18.043 0.00 0.00 -ATOM 2433 H2 H2O C 811 54.844 16.085 17.333 0.00 0.00 -ATOM 2434 O1 H2O C 812 19.564 47.953 3.407 0.00 0.00 -ATOM 2435 H1 H2O C 812 19.914 47.045 3.637 0.00 0.00 -ATOM 2436 H2 H2O C 812 19.380 48.001 2.425 0.00 0.00 -ATOM 2437 O1 H2O C 813 17.974 44.594 1.554 0.00 0.00 -ATOM 2438 H1 H2O C 813 17.313 43.843 1.552 0.00 0.00 -ATOM 2439 H2 H2O C 813 18.354 44.700 2.473 0.00 0.00 -ATOM 2440 O1 H2O C 814 47.614 42.438 33.497 0.00 0.00 -ATOM 2441 H1 H2O C 814 47.645 41.764 34.235 0.00 0.00 -ATOM 2442 H2 H2O C 814 47.757 41.979 32.620 0.00 0.00 -ATOM 2443 O1 H2O C 815 40.284 45.126 8.920 0.00 0.00 -ATOM 2444 H1 H2O C 815 41.148 44.734 9.235 0.00 0.00 -ATOM 2445 H2 H2O C 815 39.775 45.483 9.704 0.00 0.00 -ATOM 2446 O1 H2O C 816 55.314 58.777 31.473 0.00 0.00 -ATOM 2447 H1 H2O C 816 55.969 59.463 31.157 0.00 0.00 -ATOM 2448 H2 H2O C 816 54.385 59.137 31.384 0.00 0.00 -ATOM 2449 O1 H2O C 817 21.278 44.418 50.459 0.00 0.00 -ATOM 2450 H1 H2O C 817 21.684 45.069 49.818 0.00 0.00 -ATOM 2451 H2 H2O C 817 20.475 43.995 50.040 0.00 0.00 -ATOM 2452 O1 H2O C 818 21.998 35.198 29.478 0.00 0.00 -ATOM 2453 H1 H2O C 818 21.077 35.115 29.098 0.00 0.00 -ATOM 2454 H2 H2O C 818 22.186 34.414 30.070 0.00 0.00 -ATOM 2455 O1 H2O C 819 23.657 32.028 30.246 0.00 0.00 -ATOM 2456 H1 H2O C 819 23.814 31.662 29.329 0.00 0.00 -ATOM 2457 H2 H2O C 819 23.184 31.344 30.801 0.00 0.00 -ATOM 2458 O1 H2O C 820 49.621 55.637 6.486 0.00 0.00 -ATOM 2459 H1 H2O C 820 49.569 54.717 6.874 0.00 0.00 -ATOM 2460 H2 H2O C 820 49.390 56.309 7.190 0.00 0.00 -ATOM 2461 O1 H2O C 821 16.152 0.358 55.443 0.00 0.00 -ATOM 2462 H1 H2O C 821 15.202 0.610 55.623 0.00 0.00 -ATOM 2463 H2 H2O C 821 16.746 0.790 56.121 0.00 0.00 -ATOM 2464 O1 H2O C 822 9.185 46.921 54.348 0.00 0.00 -ATOM 2465 H1 H2O C 822 9.004 47.113 55.313 0.00 0.00 -ATOM 2466 H2 H2O C 822 8.319 46.781 53.868 0.00 0.00 -ATOM 2467 O1 H2O C 823 45.728 56.883 18.322 0.00 0.00 -ATOM 2468 H1 H2O C 823 45.121 56.359 18.919 0.00 0.00 -ATOM 2469 H2 H2O C 823 46.549 57.146 18.829 0.00 0.00 -ATOM 2470 O1 H2O C 824 31.220 11.267 8.258 0.00 0.00 -ATOM 2471 H1 H2O C 824 31.947 10.790 7.763 0.00 0.00 -ATOM 2472 H2 H2O C 824 31.568 11.580 9.142 0.00 0.00 -ATOM 2473 O1 H2O C 825 15.492 11.876 56.516 0.00 0.00 -ATOM 2474 H1 H2O C 825 14.583 11.509 56.714 0.00 0.00 -ATOM 2475 H2 H2O C 825 16.104 11.128 56.260 0.00 0.00 -ATOM 2476 O1 H2O C 826 31.089 27.169 41.111 0.00 0.00 -ATOM 2477 H1 H2O C 826 30.157 27.222 40.752 0.00 0.00 -ATOM 2478 H2 H2O C 826 31.069 27.280 42.105 0.00 0.00 -ATOM 2479 O1 H2O C 827 18.062 57.976 10.155 0.00 0.00 -ATOM 2480 H1 H2O C 827 18.642 57.621 9.421 0.00 0.00 -ATOM 2481 H2 H2O C 827 17.114 57.699 9.992 0.00 0.00 -ATOM 2482 O1 H2O C 828 53.021 15.904 35.139 0.00 0.00 -ATOM 2483 H1 H2O C 828 53.573 16.503 35.719 0.00 0.00 -ATOM 2484 H2 H2O C 828 52.164 16.363 34.904 0.00 0.00 -ATOM 2485 O1 H2O C 829 35.765 37.135 53.733 0.00 0.00 -ATOM 2486 H1 H2O C 829 35.134 37.909 53.776 0.00 0.00 -ATOM 2487 H2 H2O C 829 35.552 36.489 54.466 0.00 0.00 -ATOM 2488 O1 H2O C 830 20.838 56.227 3.980 0.00 0.00 -ATOM 2489 H1 H2O C 830 20.939 56.909 4.705 0.00 0.00 -ATOM 2490 H2 H2O C 830 21.737 56.013 3.597 0.00 0.00 -ATOM 2491 O1 H2O C 831 39.994 36.509 23.908 0.00 0.00 -ATOM 2492 H1 H2O C 831 39.123 36.992 23.996 0.00 0.00 -ATOM 2493 H2 H2O C 831 40.646 37.084 23.414 0.00 0.00 -ATOM 2494 O1 H2O C 832 8.066 42.965 49.848 0.00 0.00 -ATOM 2495 H1 H2O C 832 8.467 42.265 49.256 0.00 0.00 -ATOM 2496 H2 H2O C 832 7.305 43.408 49.372 0.00 0.00 -ATOM 2497 O1 H2O C 833 44.101 57.436 17.448 0.00 0.00 -ATOM 2498 H1 H2O C 833 44.779 56.931 16.912 0.00 0.00 -ATOM 2499 H2 H2O C 833 43.198 57.322 17.033 0.00 0.00 -ATOM 2500 O1 H2O C 834 54.090 23.041 54.857 0.00 0.00 -ATOM 2501 H1 H2O C 834 54.491 22.253 54.390 0.00 0.00 -ATOM 2502 H2 H2O C 834 53.099 22.923 54.918 0.00 0.00 -ATOM 2503 O1 H2O C 835 1.516 8.332 30.556 0.00 0.00 -ATOM 2504 H1 H2O C 835 0.572 8.319 30.228 0.00 0.00 -ATOM 2505 H2 H2O C 835 1.720 9.228 30.950 0.00 0.00 -ATOM 2506 O1 H2O C 836 1.572 9.127 44.087 0.00 0.00 -ATOM 2507 H1 H2O C 836 1.650 9.869 43.422 0.00 0.00 -ATOM 2508 H2 H2O C 836 0.667 9.154 44.512 0.00 0.00 -ATOM 2509 O1 H2O C 837 48.063 12.758 52.383 0.00 0.00 -ATOM 2510 H1 H2O C 837 47.628 12.304 51.605 0.00 0.00 -ATOM 2511 H2 H2O C 837 49.057 12.693 52.294 0.00 0.00 -ATOM 2512 O1 H2O C 838 3.075 52.308 17.561 0.00 0.00 -ATOM 2513 H1 H2O C 838 2.546 52.573 16.754 0.00 0.00 -ATOM 2514 H2 H2O C 838 3.863 51.761 17.277 0.00 0.00 -ATOM 2515 O1 H2O C 839 2.147 14.695 33.234 0.00 0.00 -ATOM 2516 H1 H2O C 839 3.047 15.036 33.505 0.00 0.00 -ATOM 2517 H2 H2O C 839 2.254 14.002 32.522 0.00 0.00 -ATOM 2518 O1 H2O C 840 21.985 33.062 1.206 0.00 0.00 -ATOM 2519 H1 H2O C 840 22.733 32.517 0.827 0.00 0.00 -ATOM 2520 H2 H2O C 840 21.165 32.939 0.646 0.00 0.00 -ATOM 2521 O1 H2O C 841 28.815 27.363 6.572 0.00 0.00 -ATOM 2522 H1 H2O C 841 28.110 28.040 6.785 0.00 0.00 -ATOM 2523 H2 H2O C 841 28.504 26.457 6.858 0.00 0.00 -ATOM 2524 O1 H2O C 842 38.294 7.459 26.990 0.00 0.00 -ATOM 2525 H1 H2O C 842 38.682 8.326 27.303 0.00 0.00 -ATOM 2526 H2 H2O C 842 38.067 6.891 27.781 0.00 0.00 -ATOM 2527 O1 H2O C 843 41.389 58.794 39.203 0.00 0.00 -ATOM 2528 H1 H2O C 843 41.928 57.996 39.471 0.00 0.00 -ATOM 2529 H2 H2O C 843 41.470 58.936 38.217 0.00 0.00 -ATOM 2530 O1 H2O C 844 19.406 39.315 56.052 0.00 0.00 -ATOM 2531 H1 H2O C 844 19.807 38.464 55.714 0.00 0.00 -ATOM 2532 H2 H2O C 844 20.075 40.054 55.969 0.00 0.00 -ATOM 2533 O1 H2O C 845 9.675 53.515 46.496 0.00 0.00 -ATOM 2534 H1 H2O C 845 9.880 52.670 46.003 0.00 0.00 -ATOM 2535 H2 H2O C 845 9.062 53.315 47.260 0.00 0.00 -ATOM 2536 O1 H2O C 846 4.096 51.910 30.207 0.00 0.00 -ATOM 2537 H1 H2O C 846 4.188 50.916 30.141 0.00 0.00 -ATOM 2538 H2 H2O C 846 4.335 52.207 31.131 0.00 0.00 -ATOM 2539 O1 H2O C 847 5.004 55.014 33.522 0.00 0.00 -ATOM 2540 H1 H2O C 847 5.232 54.097 33.195 0.00 0.00 -ATOM 2541 H2 H2O C 847 5.824 55.586 33.508 0.00 0.00 -ATOM 2542 O1 H2O C 848 9.010 50.097 5.625 0.00 0.00 -ATOM 2543 H1 H2O C 848 8.477 49.353 6.029 0.00 0.00 -ATOM 2544 H2 H2O C 848 9.977 49.973 5.850 0.00 0.00 -ATOM 2545 O1 H2O C 849 37.032 18.415 38.168 0.00 0.00 -ATOM 2546 H1 H2O C 849 37.660 18.831 38.826 0.00 0.00 -ATOM 2547 H2 H2O C 849 37.061 17.420 38.264 0.00 0.00 -ATOM 2548 O1 H2O C 850 10.394 31.478 20.185 0.00 0.00 -ATOM 2549 H1 H2O C 850 9.531 31.447 20.689 0.00 0.00 -ATOM 2550 H2 H2O C 850 10.547 30.601 19.731 0.00 0.00 -ATOM 2551 O1 H2O C 851 16.553 22.829 10.048 0.00 0.00 -ATOM 2552 H1 H2O C 851 17.467 23.205 10.200 0.00 0.00 -ATOM 2553 H2 H2O C 851 16.630 21.927 9.624 0.00 0.00 -ATOM 2554 O1 H2O C 852 40.073 44.111 15.782 0.00 0.00 -ATOM 2555 H1 H2O C 852 40.717 44.829 15.518 0.00 0.00 -ATOM 2556 H2 H2O C 852 39.163 44.335 15.433 0.00 0.00 -ATOM 2557 O1 H2O C 853 18.499 22.360 6.179 0.00 0.00 -ATOM 2558 H1 H2O C 853 18.517 21.893 7.064 0.00 0.00 -ATOM 2559 H2 H2O C 853 19.124 21.901 5.547 0.00 0.00 -ATOM 2560 O1 H2O C 854 50.289 30.219 42.267 0.00 0.00 -ATOM 2561 H1 H2O C 854 50.648 29.496 42.858 0.00 0.00 -ATOM 2562 H2 H2O C 854 49.831 30.910 42.826 0.00 0.00 -ATOM 2563 O1 H2O C 855 60.245 39.696 14.307 0.00 0.00 -ATOM 2564 H1 H2O C 855 59.461 40.020 14.836 0.00 0.00 -ATOM 2565 H2 H2O C 855 60.031 39.745 13.331 0.00 0.00 -ATOM 2566 O1 H2O C 856 6.330 38.610 58.727 0.00 0.00 -ATOM 2567 H1 H2O C 856 6.508 38.845 57.772 0.00 0.00 -ATOM 2568 H2 H2O C 856 6.240 39.448 59.266 0.00 0.00 -ATOM 2569 O1 H2O C 857 18.816 43.850 29.224 0.00 0.00 -ATOM 2570 H1 H2O C 857 18.915 44.348 28.362 0.00 0.00 -ATOM 2571 H2 H2O C 857 18.083 44.262 29.765 0.00 0.00 -ATOM 2572 O1 H2O C 858 45.494 33.047 2.246 0.00 0.00 -ATOM 2573 H1 H2O C 858 44.915 32.983 1.433 0.00 0.00 -ATOM 2574 H2 H2O C 858 46.121 32.268 2.272 0.00 0.00 -ATOM 2575 O1 H2O C 859 2.856 5.823 19.701 0.00 0.00 -ATOM 2576 H1 H2O C 859 3.161 4.876 19.606 0.00 0.00 -ATOM 2577 H2 H2O C 859 2.548 6.165 18.813 0.00 0.00 -ATOM 2578 O1 H2O C 860 5.058 25.019 12.993 0.00 0.00 -ATOM 2579 H1 H2O C 860 5.397 25.496 13.804 0.00 0.00 -ATOM 2580 H2 H2O C 860 4.063 25.103 12.949 0.00 0.00 -ATOM 2581 O1 H2O C 861 27.804 59.090 4.019 0.00 0.00 -ATOM 2582 H1 H2O C 861 27.608 58.111 4.077 0.00 0.00 -ATOM 2583 H2 H2O C 861 26.970 59.609 4.204 0.00 0.00 -ATOM 2584 O1 H2O C 862 27.647 47.022 38.754 0.00 0.00 -ATOM 2585 H1 H2O C 862 27.648 46.609 39.664 0.00 0.00 -ATOM 2586 H2 H2O C 862 27.737 48.014 38.838 0.00 0.00 -ATOM 2587 O1 H2O C 863 47.716 40.929 17.712 0.00 0.00 -ATOM 2588 H1 H2O C 863 48.366 40.290 17.301 0.00 0.00 -ATOM 2589 H2 H2O C 863 47.951 41.072 18.673 0.00 0.00 -ATOM 2590 O1 H2O C 864 21.820 47.390 50.128 0.00 0.00 -ATOM 2591 H1 H2O C 864 21.760 46.940 51.019 0.00 0.00 -ATOM 2592 H2 H2O C 864 22.112 46.727 49.439 0.00 0.00 -ATOM 2593 O1 H2O C 865 26.695 41.076 31.307 0.00 0.00 -ATOM 2594 H1 H2O C 865 26.170 40.243 31.132 0.00 0.00 -ATOM 2595 H2 H2O C 865 26.881 41.152 32.287 0.00 0.00 -ATOM 2596 O1 H2O C 866 48.014 46.577 34.074 0.00 0.00 -ATOM 2597 H1 H2O C 866 48.548 46.839 33.270 0.00 0.00 -ATOM 2598 H2 H2O C 866 47.041 46.571 33.840 0.00 0.00 -ATOM 2599 O1 H2O C 867 15.309 0.431 45.073 0.00 0.00 -ATOM 2600 H1 H2O C 867 16.246 0.759 44.950 0.00 0.00 -ATOM 2601 H2 H2O C 867 14.741 0.754 44.316 0.00 0.00 -ATOM 2602 O1 H2O C 868 50.275 25.883 14.523 0.00 0.00 -ATOM 2603 H1 H2O C 868 49.636 26.285 15.178 0.00 0.00 -ATOM 2604 H2 H2O C 868 51.178 26.296 14.641 0.00 0.00 -ATOM 2605 O1 H2O C 869 45.993 9.657 43.937 0.00 0.00 -ATOM 2606 H1 H2O C 869 46.610 10.057 44.615 0.00 0.00 -ATOM 2607 H2 H2O C 869 46.141 10.097 43.052 0.00 0.00 -ATOM 2608 O1 H2O C 870 39.718 29.328 53.424 0.00 0.00 -ATOM 2609 H1 H2O C 870 40.090 30.001 54.064 0.00 0.00 -ATOM 2610 H2 H2O C 870 39.784 29.684 52.491 0.00 0.00 -ATOM 2611 O1 H2O C 871 11.634 35.594 56.100 0.00 0.00 -ATOM 2612 H1 H2O C 871 11.035 36.380 55.950 0.00 0.00 -ATOM 2613 H2 H2O C 871 11.080 34.785 56.298 0.00 0.00 -ATOM 2614 O1 H2O C 872 33.309 13.193 31.536 0.00 0.00 -ATOM 2615 H1 H2O C 872 33.399 12.481 32.233 0.00 0.00 -ATOM 2616 H2 H2O C 872 32.339 13.371 31.366 0.00 0.00 -ATOM 2617 O1 H2O C 873 19.024 22.548 36.950 0.00 0.00 -ATOM 2618 H1 H2O C 873 19.165 22.602 37.939 0.00 0.00 -ATOM 2619 H2 H2O C 873 19.859 22.210 36.514 0.00 0.00 -ATOM 2620 O1 H2O C 874 53.836 45.871 23.513 0.00 0.00 -ATOM 2621 H1 H2O C 874 53.197 45.183 23.857 0.00 0.00 -ATOM 2622 H2 H2O C 874 54.770 45.610 23.758 0.00 0.00 -ATOM 2623 O1 H2O C 875 33.970 8.336 38.378 0.00 0.00 -ATOM 2624 H1 H2O C 875 33.054 7.960 38.520 0.00 0.00 -ATOM 2625 H2 H2O C 875 34.411 8.483 39.263 0.00 0.00 -ATOM 2626 O1 H2O C 876 43.277 31.280 50.677 0.00 0.00 -ATOM 2627 H1 H2O C 876 43.328 32.268 50.824 0.00 0.00 -ATOM 2628 H2 H2O C 876 43.707 31.051 49.803 0.00 0.00 -ATOM 2629 O1 H2O C 877 20.151 22.109 21.009 0.00 0.00 -ATOM 2630 H1 H2O C 877 20.965 21.611 21.309 0.00 0.00 -ATOM 2631 H2 H2O C 877 19.386 21.891 21.615 0.00 0.00 -ATOM 2632 O1 H2O C 878 56.820 27.871 0.183 0.00 0.00 -ATOM 2633 H1 H2O C 878 55.959 27.857 0.692 0.00 0.00 -ATOM 2634 H2 H2O C 878 56.937 27.002 -0.298 0.00 0.00 -ATOM 2635 O1 H2O C 879 33.171 26.015 21.247 0.00 0.00 -ATOM 2636 H1 H2O C 879 32.349 26.249 21.768 0.00 0.00 -ATOM 2637 H2 H2O C 879 32.905 25.629 20.363 0.00 0.00 -ATOM 2638 O1 H2O C 880 36.100 34.306 11.730 0.00 0.00 -ATOM 2639 H1 H2O C 880 37.064 34.039 11.716 0.00 0.00 -ATOM 2640 H2 H2O C 880 35.818 34.483 12.673 0.00 0.00 -ATOM 2641 O1 H2O C 881 11.975 15.952 34.657 0.00 0.00 -ATOM 2642 H1 H2O C 881 12.339 16.807 34.289 0.00 0.00 -ATOM 2643 H2 H2O C 881 11.578 16.119 35.559 0.00 0.00 -ATOM 2644 O1 H2O C 882 29.016 26.789 0.793 0.00 0.00 -ATOM 2645 H1 H2O C 882 29.241 26.424 1.696 0.00 0.00 -ATOM 2646 H2 H2O C 882 28.211 27.380 0.864 0.00 0.00 -ATOM 2647 O1 H2O C 883 56.101 17.946 38.858 0.00 0.00 -ATOM 2648 H1 H2O C 883 56.479 17.935 37.932 0.00 0.00 -ATOM 2649 H2 H2O C 883 56.354 18.801 39.312 0.00 0.00 -ATOM 2650 O1 H2O C 884 36.470 48.347 1.685 0.00 0.00 -ATOM 2651 H1 H2O C 884 35.584 48.698 1.383 0.00 0.00 -ATOM 2652 H2 H2O C 884 36.945 47.930 0.910 0.00 0.00 -ATOM 2653 O1 H2O C 885 49.292 2.993 41.321 0.00 0.00 -ATOM 2654 H1 H2O C 885 49.522 3.912 41.641 0.00 0.00 -ATOM 2655 H2 H2O C 885 50.129 2.514 41.053 0.00 0.00 -ATOM 2656 O1 H2O C 886 55.598 28.248 49.245 0.00 0.00 -ATOM 2657 H1 H2O C 886 55.390 28.189 48.268 0.00 0.00 -ATOM 2658 H2 H2O C 886 55.775 27.331 49.604 0.00 0.00 -ATOM 2659 O1 H2O C 887 14.873 15.255 12.310 0.00 0.00 -ATOM 2660 H1 H2O C 887 15.018 15.575 13.246 0.00 0.00 -ATOM 2661 H2 H2O C 887 14.110 14.610 12.292 0.00 0.00 -ATOM 2662 O1 H2O C 888 3.813 27.402 15.056 0.00 0.00 -ATOM 2663 H1 H2O C 888 4.385 27.026 15.786 0.00 0.00 -ATOM 2664 H2 H2O C 888 3.036 27.886 15.458 0.00 0.00 -ATOM 2665 O1 H2O C 889 7.725 20.761 37.349 0.00 0.00 -ATOM 2666 H1 H2O C 889 8.598 21.103 37.001 0.00 0.00 -ATOM 2667 H2 H2O C 889 7.034 21.482 37.280 0.00 0.00 -ATOM 2668 O1 H2O C 890 9.785 14.663 20.142 0.00 0.00 -ATOM 2669 H1 H2O C 890 9.839 15.644 20.332 0.00 0.00 -ATOM 2670 H2 H2O C 890 9.964 14.503 19.171 0.00 0.00 -ATOM 2671 O1 H2O C 891 55.518 7.419 40.680 0.00 0.00 -ATOM 2672 H1 H2O C 891 56.093 7.596 39.881 0.00 0.00 -ATOM 2673 H2 H2O C 891 54.706 6.907 40.400 0.00 0.00 -ATOM 2674 O1 H2O C 892 58.937 10.608 33.409 0.00 0.00 -ATOM 2675 H1 H2O C 892 58.821 11.585 33.227 0.00 0.00 -ATOM 2676 H2 H2O C 892 59.205 10.141 32.567 0.00 0.00 -ATOM 2677 O1 H2O C 893 10.890 39.380 31.364 0.00 0.00 -ATOM 2678 H1 H2O C 893 10.508 40.242 31.031 0.00 0.00 -ATOM 2679 H2 H2O C 893 11.789 39.232 30.950 0.00 0.00 -ATOM 2680 O1 H2O C 894 14.872 15.678 4.585 0.00 0.00 -ATOM 2681 H1 H2O C 894 14.370 16.536 4.692 0.00 0.00 -ATOM 2682 H2 H2O C 894 14.764 15.344 3.648 0.00 0.00 -ATOM 2683 O1 H2O C 895 17.152 47.728 16.940 0.00 0.00 -ATOM 2684 H1 H2O C 895 17.298 46.965 17.569 0.00 0.00 -ATOM 2685 H2 H2O C 895 16.186 47.768 16.683 0.00 0.00 -ATOM 2686 O1 H2O C 896 20.455 14.459 39.813 0.00 0.00 -ATOM 2687 H1 H2O C 896 20.404 13.799 40.563 0.00 0.00 -ATOM 2688 H2 H2O C 896 20.761 15.343 40.167 0.00 0.00 -ATOM 2689 O1 H2O C 897 55.801 26.158 49.363 0.00 0.00 -ATOM 2690 H1 H2O C 897 54.983 25.584 49.322 0.00 0.00 -ATOM 2691 H2 H2O C 897 56.592 25.634 49.047 0.00 0.00 -ATOM 2692 O1 H2O C 898 37.384 43.031 54.483 0.00 0.00 -ATOM 2693 H1 H2O C 898 37.118 42.926 53.525 0.00 0.00 -ATOM 2694 H2 H2O C 898 37.939 42.248 54.762 0.00 0.00 -ATOM 2695 O1 H2O C 899 20.077 47.658 51.669 0.00 0.00 -ATOM 2696 H1 H2O C 899 20.892 47.663 52.248 0.00 0.00 -ATOM 2697 H2 H2O C 899 19.577 46.802 51.802 0.00 0.00 -ATOM 2698 O1 H2O C 900 15.022 33.452 17.811 0.00 0.00 -ATOM 2699 H1 H2O C 900 15.480 32.647 18.189 0.00 0.00 -ATOM 2700 H2 H2O C 900 14.179 33.172 17.353 0.00 0.00 -ATOM 2701 O1 H2O C 901 30.593 46.683 54.738 0.00 0.00 -ATOM 2702 H1 H2O C 901 30.395 46.953 53.795 0.00 0.00 -ATOM 2703 H2 H2O C 901 29.734 46.534 55.229 0.00 0.00 -ATOM 2704 O1 H2O C 902 57.857 25.796 21.854 0.00 0.00 -ATOM 2705 H1 H2O C 902 57.158 25.779 21.139 0.00 0.00 -ATOM 2706 H2 H2O C 902 58.134 26.742 22.026 0.00 0.00 -ATOM 2707 O1 H2O C 903 41.014 16.130 47.285 0.00 0.00 -ATOM 2708 H1 H2O C 903 41.296 15.502 48.012 0.00 0.00 -ATOM 2709 H2 H2O C 903 40.437 15.642 46.630 0.00 0.00 -ATOM 2710 O1 H2O C 904 13.908 57.609 9.633 0.00 0.00 -ATOM 2711 H1 H2O C 904 12.938 57.635 9.876 0.00 0.00 -ATOM 2712 H2 H2O C 904 14.198 58.513 9.320 0.00 0.00 -ATOM 2713 O1 H2O C 905 51.301 17.591 42.595 0.00 0.00 -ATOM 2714 H1 H2O C 905 52.069 16.950 42.572 0.00 0.00 -ATOM 2715 H2 H2O C 905 51.625 18.487 42.898 0.00 0.00 -ATOM 2716 O1 H2O C 906 51.676 32.859 0.838 0.00 0.00 -ATOM 2717 H1 H2O C 906 52.000 31.977 1.180 0.00 0.00 -ATOM 2718 H2 H2O C 906 52.071 33.596 1.388 0.00 0.00 -ATOM 2719 O1 H2O C 907 52.542 40.051 3.019 0.00 0.00 -ATOM 2720 H1 H2O C 907 51.558 40.226 2.980 0.00 0.00 -ATOM 2721 H2 H2O C 907 52.709 39.068 2.936 0.00 0.00 -ATOM 2722 O1 H2O C 908 3.313 58.992 26.110 0.00 0.00 -ATOM 2723 H1 H2O C 908 3.970 58.510 25.530 0.00 0.00 -ATOM 2724 H2 H2O C 908 3.791 59.402 26.886 0.00 0.00 -ATOM 2725 O1 H2O C 909 21.303 25.529 36.059 0.00 0.00 -ATOM 2726 H1 H2O C 909 22.116 26.111 36.066 0.00 0.00 -ATOM 2727 H2 H2O C 909 21.560 24.600 35.792 0.00 0.00 -ATOM 2728 O1 H2O C 910 6.614 36.050 28.114 0.00 0.00 -ATOM 2729 H1 H2O C 910 6.802 36.594 28.931 0.00 0.00 -ATOM 2730 H2 H2O C 910 7.155 36.399 27.349 0.00 0.00 -ATOM 2731 O1 H2O C 911 4.587 11.205 23.079 0.00 0.00 -ATOM 2732 H1 H2O C 911 5.545 11.201 22.794 0.00 0.00 -ATOM 2733 H2 H2O C 911 4.120 11.989 22.670 0.00 0.00 -ATOM 2734 O1 H2O C 912 3.602 56.759 41.611 0.00 0.00 -ATOM 2735 H1 H2O C 912 3.140 57.224 42.367 0.00 0.00 -ATOM 2736 H2 H2O C 912 4.592 56.810 41.744 0.00 0.00 -ATOM 2737 O1 H2O C 913 50.767 35.324 24.273 0.00 0.00 -ATOM 2738 H1 H2O C 913 51.177 35.106 25.158 0.00 0.00 -ATOM 2739 H2 H2O C 913 49.771 35.348 24.363 0.00 0.00 -ATOM 2740 O1 H2O C 914 55.613 7.429 57.286 0.00 0.00 -ATOM 2741 H1 H2O C 914 54.971 7.713 58.000 0.00 0.00 -ATOM 2742 H2 H2O C 914 56.083 6.594 57.574 0.00 0.00 -ATOM 2743 O1 H2O C 915 15.539 16.325 55.957 0.00 0.00 -ATOM 2744 H1 H2O C 915 16.272 15.944 56.522 0.00 0.00 -ATOM 2745 H2 H2O C 915 15.073 15.585 55.472 0.00 0.00 -ATOM 2746 O1 H2O C 916 2.959 52.077 32.796 0.00 0.00 -ATOM 2747 H1 H2O C 916 3.000 51.381 33.513 0.00 0.00 -ATOM 2748 H2 H2O C 916 2.282 52.771 33.043 0.00 0.00 -ATOM 2749 O1 H2O C 917 37.809 5.901 17.982 0.00 0.00 -ATOM 2750 H1 H2O C 917 37.343 5.160 18.468 0.00 0.00 -ATOM 2751 H2 H2O C 917 37.160 6.641 17.804 0.00 0.00 -ATOM 2752 O1 H2O C 918 44.671 26.317 51.623 0.00 0.00 -ATOM 2753 H1 H2O C 918 44.690 25.624 50.902 0.00 0.00 -ATOM 2754 H2 H2O C 918 44.795 27.223 51.218 0.00 0.00 -ATOM 2755 O1 H2O C 919 17.033 38.206 14.974 0.00 0.00 -ATOM 2756 H1 H2O C 919 17.941 37.981 14.620 0.00 0.00 -ATOM 2757 H2 H2O C 919 16.807 37.590 15.728 0.00 0.00 -ATOM 2758 O1 H2O C 920 0.892 13.624 56.104 0.00 0.00 -ATOM 2759 H1 H2O C 920 1.083 13.558 55.124 0.00 0.00 -ATOM 2760 H2 H2O C 920 1.181 14.520 56.440 0.00 0.00 -ATOM 2761 O1 H2O C 921 35.822 3.900 24.658 0.00 0.00 -ATOM 2762 H1 H2O C 921 35.863 4.637 25.332 0.00 0.00 -ATOM 2763 H2 H2O C 921 36.146 4.238 23.775 0.00 0.00 -ATOM 2764 O1 H2O C 922 50.148 18.002 39.703 0.00 0.00 -ATOM 2765 H1 H2O C 922 50.536 17.100 39.516 0.00 0.00 -ATOM 2766 H2 H2O C 922 49.217 17.899 40.053 0.00 0.00 -ATOM 2767 O1 H2O C 923 28.483 31.404 55.619 0.00 0.00 -ATOM 2768 H1 H2O C 923 27.736 31.821 56.137 0.00 0.00 -ATOM 2769 H2 H2O C 923 28.695 31.973 54.825 0.00 0.00 -ATOM 2770 O1 H2O C 924 59.332 36.026 45.049 0.00 0.00 -ATOM 2771 H1 H2O C 924 59.211 35.667 45.974 0.00 0.00 -ATOM 2772 H2 H2O C 924 60.158 35.634 44.644 0.00 0.00 -ATOM 2773 O1 H2O C 925 10.717 14.853 41.832 0.00 0.00 -ATOM 2774 H1 H2O C 925 10.353 15.225 42.687 0.00 0.00 -ATOM 2775 H2 H2O C 925 10.673 15.553 41.120 0.00 0.00 -ATOM 2776 O1 H2O C 926 44.030 41.579 29.143 0.00 0.00 -ATOM 2777 H1 H2O C 926 44.981 41.484 29.438 0.00 0.00 -ATOM 2778 H2 H2O C 926 43.836 42.539 28.944 0.00 0.00 -ATOM 2779 O1 H2O C 927 24.345 29.371 55.944 0.00 0.00 -ATOM 2780 H1 H2O C 927 23.654 29.086 56.608 0.00 0.00 -ATOM 2781 H2 H2O C 927 25.178 28.833 56.078 0.00 0.00 -ATOM 2782 O1 H2O C 928 45.904 32.375 7.977 0.00 0.00 -ATOM 2783 H1 H2O C 928 45.983 33.288 8.377 0.00 0.00 -ATOM 2784 H2 H2O C 928 45.036 31.963 8.257 0.00 0.00 -ATOM 2785 O1 H2O C 929 2.757 40.745 0.235 0.00 0.00 -ATOM 2786 H1 H2O C 929 3.053 40.426 1.136 0.00 0.00 -ATOM 2787 H2 H2O C 929 2.322 41.641 0.326 0.00 0.00 -ATOM 2788 O1 H2O C 930 33.005 53.785 29.457 0.00 0.00 -ATOM 2789 H1 H2O C 930 33.951 54.101 29.529 0.00 0.00 -ATOM 2790 H2 H2O C 930 32.822 53.493 28.518 0.00 0.00 -ATOM 2791 O1 H2O C 931 31.964 29.218 41.258 0.00 0.00 -ATOM 2792 H1 H2O C 931 32.575 29.901 41.661 0.00 0.00 -ATOM 2793 H2 H2O C 931 31.015 29.464 41.457 0.00 0.00 -ATOM 2794 O1 H2O C 932 43.987 45.528 53.546 0.00 0.00 -ATOM 2795 H1 H2O C 932 44.012 44.623 53.119 0.00 0.00 -ATOM 2796 H2 H2O C 932 43.989 45.425 54.541 0.00 0.00 -ATOM 2797 O1 H2O C 933 23.058 10.251 26.271 0.00 0.00 -ATOM 2798 H1 H2O C 933 23.800 10.488 25.645 0.00 0.00 -ATOM 2799 H2 H2O C 933 22.193 10.229 25.770 0.00 0.00 -ATOM 2800 O1 H2O C 934 30.112 37.327 12.991 0.00 0.00 -ATOM 2801 H1 H2O C 934 29.803 37.960 12.281 0.00 0.00 -ATOM 2802 H2 H2O C 934 30.420 37.847 13.789 0.00 0.00 -ATOM 2803 O1 H2O C 935 13.212 58.331 58.737 0.00 0.00 -ATOM 2804 H1 H2O C 935 13.117 58.902 59.552 0.00 0.00 -ATOM 2805 H2 H2O C 935 12.857 58.824 57.942 0.00 0.00 -ATOM 2806 O1 H2O C 936 40.086 3.513 30.003 0.00 0.00 -ATOM 2807 H1 H2O C 936 39.567 2.858 30.553 0.00 0.00 -ATOM 2808 H2 H2O C 936 40.902 3.066 29.636 0.00 0.00 -ATOM 2809 O1 H2O C 937 21.832 31.082 18.820 0.00 0.00 -ATOM 2810 H1 H2O C 937 22.442 31.268 19.592 0.00 0.00 -ATOM 2811 H2 H2O C 937 21.003 31.635 18.910 0.00 0.00 -ATOM 2812 O1 H2O C 938 38.906 47.416 58.514 0.00 0.00 -ATOM 2813 H1 H2O C 938 39.546 47.139 57.798 0.00 0.00 -ATOM 2814 H2 H2O C 938 39.282 47.177 59.409 0.00 0.00 -ATOM 2815 O1 H2O C 939 29.430 31.386 36.221 0.00 0.00 -ATOM 2816 H1 H2O C 939 29.614 30.432 36.461 0.00 0.00 -ATOM 2817 H2 H2O C 939 29.765 31.982 36.952 0.00 0.00 -ATOM 2818 O1 H2O C 940 57.546 21.633 15.420 0.00 0.00 -ATOM 2819 H1 H2O C 940 57.649 20.819 14.849 0.00 0.00 -ATOM 2820 H2 H2O C 940 57.222 21.365 16.328 0.00 0.00 -ATOM 2821 O1 H2O C 941 25.463 27.882 58.526 0.00 0.00 -ATOM 2822 H1 H2O C 941 25.701 28.655 59.114 0.00 0.00 -ATOM 2823 H2 H2O C 941 25.541 28.156 57.568 0.00 0.00 -ATOM 2824 O1 H2O C 942 50.352 25.340 52.944 0.00 0.00 -ATOM 2825 H1 H2O C 942 50.259 24.456 53.402 0.00 0.00 -ATOM 2826 H2 H2O C 942 50.082 25.249 51.986 0.00 0.00 -ATOM 2827 O1 H2O C 943 57.973 15.983 50.561 0.00 0.00 -ATOM 2828 H1 H2O C 943 58.883 15.943 50.973 0.00 0.00 -ATOM 2829 H2 H2O C 943 57.281 15.984 51.283 0.00 0.00 -ATOM 2830 O1 H2O C 944 37.157 12.761 16.299 0.00 0.00 -ATOM 2831 H1 H2O C 944 36.246 12.470 16.595 0.00 0.00 -ATOM 2832 H2 H2O C 944 37.609 13.249 17.047 0.00 0.00 -ATOM 2833 O1 H2O C 945 43.023 41.202 25.776 0.00 0.00 -ATOM 2834 H1 H2O C 945 42.210 40.680 26.033 0.00 0.00 -ATOM 2835 H2 H2O C 945 42.780 41.873 25.076 0.00 0.00 -ATOM 2836 O1 H2O C 946 54.980 27.344 14.214 0.00 0.00 -ATOM 2837 H1 H2O C 946 54.617 27.960 14.913 0.00 0.00 -ATOM 2838 H2 H2O C 946 54.807 27.730 13.308 0.00 0.00 -ATOM 2839 O1 H2O C 947 28.119 51.319 3.414 0.00 0.00 -ATOM 2840 H1 H2O C 947 28.969 51.109 3.898 0.00 0.00 -ATOM 2841 H2 H2O C 947 27.444 50.605 3.600 0.00 0.00 -ATOM 2842 O1 H2O C 948 57.937 45.799 48.232 0.00 0.00 -ATOM 2843 H1 H2O C 948 58.329 44.880 48.205 0.00 0.00 -ATOM 2844 H2 H2O C 948 57.642 46.064 47.314 0.00 0.00 -ATOM 2845 O1 H2O C 949 34.910 3.060 4.595 0.00 0.00 -ATOM 2846 H1 H2O C 949 35.568 2.402 4.963 0.00 0.00 -ATOM 2847 H2 H2O C 949 35.025 3.127 3.604 0.00 0.00 -ATOM 2848 O1 H2O C 950 44.409 26.356 52.383 0.00 0.00 -ATOM 2849 H1 H2O C 950 45.296 26.746 52.630 0.00 0.00 -ATOM 2850 H2 H2O C 950 43.711 27.072 52.411 0.00 0.00 -ATOM 2851 O1 H2O C 951 4.041 43.062 59.779 0.00 0.00 -ATOM 2852 H1 H2O C 951 4.884 42.570 59.563 0.00 0.00 -ATOM 2853 H2 H2O C 951 3.268 42.429 59.750 0.00 0.00 -ATOM 2854 O1 H2O C 952 56.417 20.170 50.816 0.00 0.00 -ATOM 2855 H1 H2O C 952 56.426 19.723 51.710 0.00 0.00 -ATOM 2856 H2 H2O C 952 55.532 20.016 50.375 0.00 0.00 -ATOM 2857 O1 H2O C 953 42.916 1.561 33.464 0.00 0.00 -ATOM 2858 H1 H2O C 953 43.580 0.831 33.625 0.00 0.00 -ATOM 2859 H2 H2O C 953 42.417 1.750 34.309 0.00 0.00 -ATOM 2860 O1 H2O C 954 34.472 49.812 1.758 0.00 0.00 -ATOM 2861 H1 H2O C 954 33.964 50.466 2.319 0.00 0.00 -ATOM 2862 H2 H2O C 954 35.230 50.281 1.305 0.00 0.00 -ATOM 2863 O1 H2O C 955 52.489 39.828 25.773 0.00 0.00 -ATOM 2864 H1 H2O C 955 52.492 40.353 26.624 0.00 0.00 -ATOM 2865 H2 H2O C 955 52.687 40.436 25.005 0.00 0.00 -ATOM 2866 O1 H2O C 956 14.171 46.178 7.252 0.00 0.00 -ATOM 2867 H1 H2O C 956 14.751 46.096 6.441 0.00 0.00 -ATOM 2868 H2 H2O C 956 13.299 45.718 7.084 0.00 0.00 -ATOM 2869 O1 H2O C 957 46.022 21.532 55.417 0.00 0.00 -ATOM 2870 H1 H2O C 957 46.590 22.353 55.484 0.00 0.00 -ATOM 2871 H2 H2O C 957 46.457 20.875 54.801 0.00 0.00 -ATOM 2872 O1 H2O C 958 31.519 9.322 3.148 0.00 0.00 -ATOM 2873 H1 H2O C 958 32.275 8.686 3.300 0.00 0.00 -ATOM 2874 H2 H2O C 958 31.772 10.228 3.488 0.00 0.00 -ATOM 2875 O1 H2O C 959 32.400 54.809 37.995 0.00 0.00 -ATOM 2876 H1 H2O C 959 32.512 55.518 37.299 0.00 0.00 -ATOM 2877 H2 H2O C 959 31.702 54.158 37.699 0.00 0.00 -ATOM 2878 O1 H2O C 960 0.259 47.985 51.803 0.00 0.00 -ATOM 2879 H1 H2O C 960 0.883 48.403 52.462 0.00 0.00 -ATOM 2880 H2 H2O C 960 -0.482 47.524 52.292 0.00 0.00 -ATOM 2881 O1 H2O C 961 53.138 23.746 22.894 0.00 0.00 -ATOM 2882 H1 H2O C 961 52.277 23.292 23.125 0.00 0.00 -ATOM 2883 H2 H2O C 961 53.871 23.067 22.852 0.00 0.00 -ATOM 2884 O1 H2O C 962 52.761 16.783 31.425 0.00 0.00 -ATOM 2885 H1 H2O C 962 52.843 16.696 30.433 0.00 0.00 -ATOM 2886 H2 H2O C 962 53.665 16.695 31.843 0.00 0.00 -ATOM 2887 O1 H2O C 963 40.990 17.552 20.721 0.00 0.00 -ATOM 2888 H1 H2O C 963 41.838 17.141 21.058 0.00 0.00 -ATOM 2889 H2 H2O C 963 40.677 18.246 21.370 0.00 0.00 -ATOM 2890 O1 H2O C 964 51.956 38.678 9.213 0.00 0.00 -ATOM 2891 H1 H2O C 964 51.767 37.698 9.157 0.00 0.00 -ATOM 2892 H2 H2O C 964 52.262 39.010 8.321 0.00 0.00 -ATOM 2893 O1 H2O C 965 49.429 27.706 41.450 0.00 0.00 -ATOM 2894 H1 H2O C 965 48.482 27.836 41.156 0.00 0.00 -ATOM 2895 H2 H2O C 965 49.448 27.489 42.426 0.00 0.00 -ATOM 2896 O1 H2O C 966 19.987 2.537 28.847 0.00 0.00 -ATOM 2897 H1 H2O C 966 19.131 2.023 28.798 0.00 0.00 -ATOM 2898 H2 H2O C 966 20.526 2.368 28.022 0.00 0.00 -ATOM 2899 O1 H2O C 967 12.099 45.397 42.611 0.00 0.00 -ATOM 2900 H1 H2O C 967 11.806 46.008 41.876 0.00 0.00 -ATOM 2901 H2 H2O C 967 12.891 45.792 43.077 0.00 0.00 -ATOM 2902 O1 H2O C 968 45.634 1.917 36.709 0.00 0.00 -ATOM 2903 H1 H2O C 968 46.243 1.307 37.216 0.00 0.00 -ATOM 2904 H2 H2O C 968 44.959 1.374 36.209 0.00 0.00 -ATOM 2905 O1 H2O C 969 5.699 36.252 15.923 0.00 0.00 -ATOM 2906 H1 H2O C 969 5.926 35.340 16.266 0.00 0.00 -ATOM 2907 H2 H2O C 969 6.512 36.662 15.507 0.00 0.00 -ATOM 2908 O1 H2O C 970 51.976 28.180 10.694 0.00 0.00 -ATOM 2909 H1 H2O C 970 51.443 27.334 10.666 0.00 0.00 -ATOM 2910 H2 H2O C 970 52.138 28.439 11.647 0.00 0.00 -ATOM 2911 O1 H2O C 971 27.567 57.289 32.426 0.00 0.00 -ATOM 2912 H1 H2O C 971 27.134 57.752 33.200 0.00 0.00 -ATOM 2913 H2 H2O C 971 27.367 56.309 32.471 0.00 0.00 -ATOM 2914 O1 H2O C 972 6.337 21.306 20.050 0.00 0.00 -ATOM 2915 H1 H2O C 972 5.967 20.378 20.010 0.00 0.00 -ATOM 2916 H2 H2O C 972 5.681 21.907 20.507 0.00 0.00 -ATOM 2917 O1 H2O C 973 54.277 18.400 11.258 0.00 0.00 -ATOM 2918 H1 H2O C 973 53.556 19.087 11.157 0.00 0.00 -ATOM 2919 H2 H2O C 973 54.149 17.680 10.577 0.00 0.00 -ATOM 2920 O1 H2O C 974 11.791 15.462 46.661 0.00 0.00 -ATOM 2921 H1 H2O C 974 11.806 16.388 46.283 0.00 0.00 -ATOM 2922 H2 H2O C 974 11.282 15.461 47.521 0.00 0.00 -ATOM 2923 O1 H2O C 975 22.543 45.885 59.868 0.00 0.00 -ATOM 2924 H1 H2O C 975 22.320 46.841 59.678 0.00 0.00 -ATOM 2925 H2 H2O C 975 23.305 45.598 59.288 0.00 0.00 -ATOM 2926 O1 H2O C 976 39.824 9.452 36.196 0.00 0.00 -ATOM 2927 H1 H2O C 976 39.207 8.667 36.145 0.00 0.00 -ATOM 2928 H2 H2O C 976 40.705 9.161 36.568 0.00 0.00 -ATOM 2929 O1 H2O C 977 9.035 6.848 2.616 0.00 0.00 -ATOM 2930 H1 H2O C 977 9.552 7.562 3.090 0.00 0.00 -ATOM 2931 H2 H2O C 977 8.657 6.210 3.288 0.00 0.00 -ATOM 2932 O1 H2O C 978 24.110 47.044 28.036 0.00 0.00 -ATOM 2933 H1 H2O C 978 23.820 47.738 28.694 0.00 0.00 -ATOM 2934 H2 H2O C 978 23.323 46.487 27.771 0.00 0.00 -ATOM 2935 O1 H2O C 979 40.060 40.807 56.929 0.00 0.00 -ATOM 2936 H1 H2O C 979 39.553 41.385 56.290 0.00 0.00 -ATOM 2937 H2 H2O C 979 39.416 40.280 57.484 0.00 0.00 -ATOM 2938 O1 H2O C 980 39.245 22.658 48.400 0.00 0.00 -ATOM 2939 H1 H2O C 980 38.359 22.263 48.646 0.00 0.00 -ATOM 2940 H2 H2O C 980 39.298 22.763 47.406 0.00 0.00 -ATOM 2941 O1 H2O C 981 3.393 30.639 38.402 0.00 0.00 -ATOM 2942 H1 H2O C 981 3.099 30.830 37.465 0.00 0.00 -ATOM 2943 H2 H2O C 981 3.067 31.367 39.007 0.00 0.00 -ATOM 2944 O1 H2O C 982 16.409 35.419 44.593 0.00 0.00 -ATOM 2945 H1 H2O C 982 15.722 34.828 44.169 0.00 0.00 -ATOM 2946 H2 H2O C 982 17.317 35.020 44.462 0.00 0.00 -ATOM 2947 O1 H2O C 983 10.104 30.906 20.065 0.00 0.00 -ATOM 2948 H1 H2O C 983 11.063 31.000 19.797 0.00 0.00 -ATOM 2949 H2 H2O C 983 10.048 30.745 21.050 0.00 0.00 -ATOM 2950 O1 H2O C 984 26.683 8.193 39.519 0.00 0.00 -ATOM 2951 H1 H2O C 984 26.836 8.116 38.534 0.00 0.00 -ATOM 2952 H2 H2O C 984 25.701 8.192 39.705 0.00 0.00 -ATOM 2953 O1 H2O C 985 22.036 53.162 47.107 0.00 0.00 -ATOM 2954 H1 H2O C 985 21.414 52.447 46.787 0.00 0.00 -ATOM 2955 H2 H2O C 985 22.675 52.775 47.770 0.00 0.00 -ATOM 2956 O1 H2O C 986 32.844 59.277 -0.048 0.00 0.00 -ATOM 2957 H1 H2O C 986 32.248 60.076 0.034 0.00 0.00 -ATOM 2958 H2 H2O C 986 33.760 59.509 0.278 0.00 0.00 -ATOM 2959 O1 H2O C 987 37.937 47.228 33.165 0.00 0.00 -ATOM 2960 H1 H2O C 987 37.708 46.912 32.244 0.00 0.00 -ATOM 2961 H2 H2O C 987 37.974 46.445 33.786 0.00 0.00 -ATOM 2962 O1 H2O C 988 43.878 12.312 1.556 0.00 0.00 -ATOM 2963 H1 H2O C 988 43.633 12.135 0.602 0.00 0.00 -ATOM 2964 H2 H2O C 988 43.870 13.297 1.725 0.00 0.00 -ATOM 2965 O1 H2O C 989 5.247 12.391 10.912 0.00 0.00 -ATOM 2966 H1 H2O C 989 5.315 13.388 10.940 0.00 0.00 -ATOM 2967 H2 H2O C 989 5.266 12.030 11.844 0.00 0.00 -ATOM 2968 O1 H2O C 990 56.727 38.159 54.081 0.00 0.00 -ATOM 2969 H1 H2O C 990 56.551 39.106 53.811 0.00 0.00 -ATOM 2970 H2 H2O C 990 57.510 38.130 54.703 0.00 0.00 -ATOM 2971 O1 H2O C 991 56.643 33.700 1.181 0.00 0.00 -ATOM 2972 H1 H2O C 991 55.695 33.428 1.347 0.00 0.00 -ATOM 2973 H2 H2O C 991 56.952 33.317 0.311 0.00 0.00 -ATOM 2974 O1 H2O C 992 2.708 34.688 3.584 0.00 0.00 -ATOM 2975 H1 H2O C 992 3.516 34.846 4.151 0.00 0.00 -ATOM 2976 H2 H2O C 992 2.808 35.178 2.717 0.00 0.00 -ATOM 2977 O1 H2O C 993 58.322 20.684 39.514 0.00 0.00 -ATOM 2978 H1 H2O C 993 59.032 20.391 38.873 0.00 0.00 -ATOM 2979 H2 H2O C 993 58.744 21.164 40.282 0.00 0.00 -ATOM 2980 O1 H2O C 994 20.314 44.238 55.871 0.00 0.00 -ATOM 2981 H1 H2O C 994 19.556 44.059 55.243 0.00 0.00 -ATOM 2982 H2 H2O C 994 20.563 45.205 55.825 0.00 0.00 -ATOM 2983 O1 H2O C 995 43.504 2.780 7.446 0.00 0.00 -ATOM 2984 H1 H2O C 995 42.834 2.082 7.194 0.00 0.00 -ATOM 2985 H2 H2O C 995 44.417 2.480 7.169 0.00 0.00 -ATOM 2986 O1 H2O C 996 33.341 35.728 40.768 0.00 0.00 -ATOM 2987 H1 H2O C 996 32.391 35.455 40.922 0.00 0.00 -ATOM 2988 H2 H2O C 996 33.399 36.726 40.732 0.00 0.00 -ATOM 2989 O1 H2O C 997 37.146 33.725 0.724 0.00 0.00 -ATOM 2990 H1 H2O C 997 36.961 34.444 1.395 0.00 0.00 -ATOM 2991 H2 H2O C 997 38.124 33.709 0.515 0.00 0.00 -ATOM 2992 O1 H2O C 998 27.210 8.523 11.773 0.00 0.00 -ATOM 2993 H1 H2O C 998 26.463 9.011 12.225 0.00 0.00 -ATOM 2994 H2 H2O C 998 28.077 8.762 12.209 0.00 0.00 -ATOM 2995 O1 H2O C 999 31.596 27.223 19.748 0.00 0.00 -ATOM 2996 H1 H2O C 999 32.399 27.232 20.343 0.00 0.00 -ATOM 2997 H2 H2O C 999 30.779 27.032 20.292 0.00 0.00 -ATOM 2998 O1 H2O C1000 33.457 54.515 22.865 0.00 0.00 -ATOM 2999 H1 H2O C1000 32.554 54.682 23.260 0.00 0.00 -ATOM 3000 H2 H2O C1000 34.148 54.549 23.587 0.00 0.00 -ATOM 3001 O1 H2O C1001 44.016 36.104 50.349 0.00 0.00 -ATOM 3002 H1 H2O C1001 44.928 35.738 50.535 0.00 0.00 -ATOM 3003 H2 H2O C1001 44.043 37.102 50.391 0.00 0.00 -ATOM 3004 O1 H2O C1002 4.863 59.287 13.887 0.00 0.00 -ATOM 3005 H1 H2O C1002 5.099 58.390 14.262 0.00 0.00 -ATOM 3006 H2 H2O C1002 4.536 59.180 12.948 0.00 0.00 -ATOM 3007 O1 H2O C1003 8.722 1.044 9.258 0.00 0.00 -ATOM 3008 H1 H2O C1003 7.738 0.865 9.267 0.00 0.00 -ATOM 3009 H2 H2O C1003 9.218 0.180 9.173 0.00 0.00 -ATOM 3010 O1 H2O C1004 43.552 48.609 56.697 0.00 0.00 -ATOM 3011 H1 H2O C1004 44.159 48.653 57.492 0.00 0.00 -ATOM 3012 H2 H2O C1004 44.098 48.490 55.868 0.00 0.00 -ATOM 3013 O1 H2O C1005 35.469 3.487 55.801 0.00 0.00 -ATOM 3014 H1 H2O C1005 35.487 2.516 55.562 0.00 0.00 -ATOM 3015 H2 H2O C1005 36.359 3.757 56.166 0.00 0.00 -ATOM 3016 O1 H2O C1006 57.436 12.220 41.224 0.00 0.00 -ATOM 3017 H1 H2O C1006 57.977 11.942 40.430 0.00 0.00 -ATOM 3018 H2 H2O C1006 57.919 11.966 42.062 0.00 0.00 -ATOM 3019 O1 H2O C1007 33.509 41.599 50.161 0.00 0.00 -ATOM 3020 H1 H2O C1007 32.687 42.105 50.422 0.00 0.00 -ATOM 3021 H2 H2O C1007 34.210 42.241 49.850 0.00 0.00 -ATOM 3022 O1 H2O C1008 48.368 18.504 44.397 0.00 0.00 -ATOM 3023 H1 H2O C1008 48.715 18.657 45.322 0.00 0.00 -ATOM 3024 H2 H2O C1008 47.473 18.060 44.445 0.00 0.00 -ATOM 3025 O1 H2O C1009 56.789 46.636 11.491 0.00 0.00 -ATOM 3026 H1 H2O C1009 57.100 45.843 10.966 0.00 0.00 -ATOM 3027 H2 H2O C1009 55.807 46.765 11.346 0.00 0.00 -ATOM 3028 O1 H2O C1010 25.784 27.183 18.527 0.00 0.00 -ATOM 3029 H1 H2O C1010 26.105 27.622 19.367 0.00 0.00 -ATOM 3030 H2 H2O C1010 26.550 27.083 17.891 0.00 0.00 -ATOM 3031 O1 H2O C1011 39.806 43.933 53.092 0.00 0.00 -ATOM 3032 H1 H2O C1011 38.896 43.531 53.193 0.00 0.00 -ATOM 3033 H2 H2O C1011 40.002 44.516 53.881 0.00 0.00 -ATOM 3034 O1 H2O C1012 50.339 42.815 25.154 0.00 0.00 -ATOM 3035 H1 H2O C1012 51.022 43.491 24.879 0.00 0.00 -ATOM 3036 H2 H2O C1012 49.534 42.897 24.567 0.00 0.00 -ATOM 3037 O1 H2O C1013 6.462 48.224 13.271 0.00 0.00 -ATOM 3038 H1 H2O C1013 6.777 49.163 13.410 0.00 0.00 -ATOM 3039 H2 H2O C1013 5.499 48.154 13.530 0.00 0.00 -ATOM 3040 O1 H2O C1014 36.969 26.263 0.906 0.00 0.00 -ATOM 3041 H1 H2O C1014 36.251 25.624 0.629 0.00 0.00 -ATOM 3042 H2 H2O C1014 37.585 26.427 0.135 0.00 0.00 -ATOM 3043 O1 H2O C1015 18.785 22.349 15.162 0.00 0.00 -ATOM 3044 H1 H2O C1015 19.157 21.490 15.513 0.00 0.00 -ATOM 3045 H2 H2O C1015 17.929 22.559 15.634 0.00 0.00 -ATOM 3046 O1 H2O C1016 57.509 23.694 22.540 0.00 0.00 -ATOM 3047 H1 H2O C1016 58.414 24.119 22.535 0.00 0.00 -ATOM 3048 H2 H2O C1016 57.027 23.923 21.695 0.00 0.00 -ATOM 3049 O1 H2O C1017 40.130 52.979 32.627 0.00 0.00 -ATOM 3050 H1 H2O C1017 41.121 52.903 32.738 0.00 0.00 -ATOM 3051 H2 H2O C1017 39.777 53.674 33.254 0.00 0.00 -ATOM 3052 O1 H2O C1018 50.374 53.240 11.767 0.00 0.00 -ATOM 3053 H1 H2O C1018 50.475 53.503 12.726 0.00 0.00 -ATOM 3054 H2 H2O C1018 49.996 52.316 11.712 0.00 0.00 -ATOM 3055 O1 H2O C1019 22.091 40.691 39.636 0.00 0.00 -ATOM 3056 H1 H2O C1019 21.293 40.566 40.225 0.00 0.00 -ATOM 3057 H2 H2O C1019 21.972 41.517 39.085 0.00 0.00 -ATOM 3058 O1 H2O C1020 33.857 10.594 9.258 0.00 0.00 -ATOM 3059 H1 H2O C1020 34.543 10.684 8.535 0.00 0.00 -ATOM 3060 H2 H2O C1020 34.164 11.086 10.072 0.00 0.00 -ATOM 3061 O1 H2O C1021 7.215 27.098 37.980 0.00 0.00 -ATOM 3062 H1 H2O C1021 6.723 26.399 37.462 0.00 0.00 -ATOM 3063 H2 H2O C1021 6.993 27.010 38.951 0.00 0.00 -ATOM 3064 O1 H2O C1022 27.566 57.211 33.915 0.00 0.00 -ATOM 3065 H1 H2O C1022 26.878 57.741 34.411 0.00 0.00 -ATOM 3066 H2 H2O C1022 28.473 57.589 34.099 0.00 0.00 -ATOM 3067 O1 H2O C1023 14.840 33.714 43.916 0.00 0.00 -ATOM 3068 H1 H2O C1023 13.871 33.573 44.117 0.00 0.00 -ATOM 3069 H2 H2O C1023 15.343 32.867 44.089 0.00 0.00 -ATOM 3070 O1 H2O C1024 21.050 38.581 19.498 0.00 0.00 -ATOM 3071 H1 H2O C1024 20.129 38.248 19.292 0.00 0.00 -ATOM 3072 H2 H2O C1024 21.643 37.805 19.713 0.00 0.00 -ATOM 3073 O1 H2O C1025 46.839 41.744 0.863 0.00 0.00 -ATOM 3074 H1 H2O C1025 47.600 41.790 1.510 0.00 0.00 -ATOM 3075 H2 H2O C1025 47.183 41.879 -0.066 0.00 0.00 -ATOM 3076 O1 H2O C1026 46.992 51.902 52.995 0.00 0.00 -ATOM 3077 H1 H2O C1026 47.437 51.166 52.486 0.00 0.00 -ATOM 3078 H2 H2O C1026 46.626 51.541 53.853 0.00 0.00 -ATOM 3079 O1 H2O C1027 16.914 47.492 29.948 0.00 0.00 -ATOM 3080 H1 H2O C1027 17.622 47.273 29.276 0.00 0.00 -ATOM 3081 H2 H2O C1027 16.050 47.669 29.474 0.00 0.00 -ATOM 3082 O1 H2O C1028 29.783 33.191 2.439 0.00 0.00 -ATOM 3083 H1 H2O C1028 29.777 32.740 1.546 0.00 0.00 -ATOM 3084 H2 H2O C1028 30.621 33.728 2.536 0.00 0.00 -ATOM 3085 O1 H2O C1029 6.942 29.414 28.553 0.00 0.00 -ATOM 3086 H1 H2O C1029 6.063 29.335 28.084 0.00 0.00 -ATOM 3087 H2 H2O C1029 7.477 30.150 28.138 0.00 0.00 -ATOM 3088 O1 H2O C1030 17.202 13.066 44.850 0.00 0.00 -ATOM 3089 H1 H2O C1030 16.987 13.903 45.353 0.00 0.00 -ATOM 3090 H2 H2O C1030 18.167 13.074 44.588 0.00 0.00 -ATOM 3091 O1 H2O C1031 49.685 22.294 0.699 0.00 0.00 -ATOM 3092 H1 H2O C1031 48.982 22.932 0.383 0.00 0.00 -ATOM 3093 H2 H2O C1031 49.324 21.362 0.676 0.00 0.00 -ATOM 3094 O1 H2O C1032 35.086 6.212 17.443 0.00 0.00 -ATOM 3095 H1 H2O C1032 34.500 6.536 16.701 0.00 0.00 -ATOM 3096 H2 H2O C1032 34.921 6.761 18.263 0.00 0.00 -ATOM 3097 O1 H2O C1033 48.809 51.631 25.770 0.00 0.00 -ATOM 3098 H1 H2O C1033 48.225 51.471 26.566 0.00 0.00 -ATOM 3099 H2 H2O C1033 49.410 50.843 25.635 0.00 0.00 -ATOM 3100 O1 H2O C1034 16.780 47.293 9.040 0.00 0.00 -ATOM 3101 H1 H2O C1034 16.737 46.364 9.407 0.00 0.00 -ATOM 3102 H2 H2O C1034 16.563 47.276 8.064 0.00 0.00 -ATOM 3103 O1 H2O C1035 9.160 37.300 32.416 0.00 0.00 -ATOM 3104 H1 H2O C1035 9.661 37.042 33.242 0.00 0.00 -ATOM 3105 H2 H2O C1035 8.186 37.115 32.547 0.00 0.00 -ATOM 3106 O1 H2O C1036 56.226 38.308 10.013 0.00 0.00 -ATOM 3107 H1 H2O C1036 57.140 38.152 9.639 0.00 0.00 -ATOM 3108 H2 H2O C1036 56.005 37.585 10.668 0.00 0.00 -ATOM 3109 O1 H2O C1037 35.884 6.453 7.260 0.00 0.00 -ATOM 3110 H1 H2O C1037 35.561 6.189 8.168 0.00 0.00 -ATOM 3111 H2 H2O C1037 35.587 5.773 6.590 0.00 0.00 -ATOM 3112 O1 H2O C1038 2.784 15.851 52.309 0.00 0.00 -ATOM 3113 H1 H2O C1038 2.255 15.447 53.055 0.00 0.00 -ATOM 3114 H2 H2O C1038 2.176 16.055 51.542 0.00 0.00 -ATOM 3115 O1 H2O C1039 41.569 26.431 1.186 0.00 0.00 -ATOM 3116 H1 H2O C1039 40.910 26.780 1.853 0.00 0.00 -ATOM 3117 H2 H2O C1039 41.425 26.883 0.306 0.00 0.00 -ATOM 3118 O1 H2O C1040 11.003 20.615 18.589 0.00 0.00 -ATOM 3119 H1 H2O C1040 11.285 19.725 18.949 0.00 0.00 -ATOM 3120 H2 H2O C1040 10.218 20.951 19.109 0.00 0.00 -ATOM 3121 O1 H2O C1041 8.175 2.667 18.832 0.00 0.00 -ATOM 3122 H1 H2O C1041 7.932 3.153 19.672 0.00 0.00 -ATOM 3123 H2 H2O C1041 8.655 1.821 19.064 0.00 0.00 -ATOM 3124 O1 H2O C1042 45.710 5.911 39.694 0.00 0.00 -ATOM 3125 H1 H2O C1042 45.936 5.217 40.377 0.00 0.00 -ATOM 3126 H2 H2O C1042 46.314 6.700 39.808 0.00 0.00 -ATOM 3127 O1 H2O C1043 60.211 39.408 55.272 0.00 0.00 -ATOM 3128 H1 H2O C1043 59.429 38.804 55.426 0.00 0.00 -ATOM 3129 H2 H2O C1043 60.217 39.709 54.318 0.00 0.00 -ATOM 3130 O1 H2O C1044 55.466 15.934 51.161 0.00 0.00 -ATOM 3131 H1 H2O C1044 55.964 15.073 51.263 0.00 0.00 -ATOM 3132 H2 H2O C1044 55.425 16.402 52.044 0.00 0.00 -ATOM 3133 O1 H2O C1045 58.172 2.181 46.165 0.00 0.00 -ATOM 3134 H1 H2O C1045 57.368 2.530 45.684 0.00 0.00 -ATOM 3135 H2 H2O C1045 58.303 1.216 45.939 0.00 0.00 -ATOM 3136 O1 H2O C1046 10.577 37.367 40.866 0.00 0.00 -ATOM 3137 H1 H2O C1046 9.692 37.477 41.317 0.00 0.00 -ATOM 3138 H2 H2O C1046 11.146 38.170 41.048 0.00 0.00 -ATOM 3139 O1 H2O C1047 46.694 38.089 20.468 0.00 0.00 -ATOM 3140 H1 H2O C1047 46.798 38.783 21.181 0.00 0.00 -ATOM 3141 H2 H2O C1047 46.186 37.310 20.834 0.00 0.00 -ATOM 3142 O1 H2O C1048 7.135 2.419 35.773 0.00 0.00 -ATOM 3143 H1 H2O C1048 6.534 2.152 36.528 0.00 0.00 -ATOM 3144 H2 H2O C1048 7.609 1.610 35.424 0.00 0.00 -ATOM 3145 O1 H2O C1049 23.870 25.021 55.683 0.00 0.00 -ATOM 3146 H1 H2O C1049 23.916 25.673 56.440 0.00 0.00 -ATOM 3147 H2 H2O C1049 24.186 25.462 54.843 0.00 0.00 -ATOM 3148 O1 H2O C1050 19.643 43.630 44.071 0.00 0.00 -ATOM 3149 H1 H2O C1050 20.568 44.010 44.073 0.00 0.00 -ATOM 3150 H2 H2O C1050 19.139 43.983 43.282 0.00 0.00 -ATOM 3151 O1 H2O C1051 3.405 44.524 55.399 0.00 0.00 -ATOM 3152 H1 H2O C1051 3.021 43.662 55.732 0.00 0.00 -ATOM 3153 H2 H2O C1051 2.974 45.288 55.879 0.00 0.00 -ATOM 3154 O1 H2O C1052 26.916 18.225 3.682 0.00 0.00 -ATOM 3155 H1 H2O C1052 27.417 19.085 3.779 0.00 0.00 -ATOM 3156 H2 H2O C1052 25.960 18.419 3.460 0.00 0.00 -ATOM 3157 O1 H2O C1053 31.139 57.772 4.861 0.00 0.00 -ATOM 3158 H1 H2O C1053 31.528 58.005 5.752 0.00 0.00 -ATOM 3159 H2 H2O C1053 30.810 56.828 4.877 0.00 0.00 -ATOM 3160 O1 H2O C1054 40.708 43.529 17.651 0.00 0.00 -ATOM 3161 H1 H2O C1054 41.015 44.365 18.106 0.00 0.00 -ATOM 3162 H2 H2O C1054 41.347 42.786 17.853 0.00 0.00 -ATOM 3163 O1 H2O C1055 13.483 49.835 51.961 0.00 0.00 -ATOM 3164 H1 H2O C1055 14.459 49.985 51.799 0.00 0.00 -ATOM 3165 H2 H2O C1055 13.133 50.553 52.564 0.00 0.00 -ATOM 3166 O1 H2O C1056 0.878 57.929 5.549 0.00 0.00 -ATOM 3167 H1 H2O C1056 1.388 58.123 6.387 0.00 0.00 -ATOM 3168 H2 H2O C1056 1.243 57.103 5.120 0.00 0.00 -ATOM 3169 O1 H2O C1057 25.921 21.166 6.588 0.00 0.00 -ATOM 3170 H1 H2O C1057 26.251 20.770 7.445 0.00 0.00 -ATOM 3171 H2 H2O C1057 26.651 21.705 6.167 0.00 0.00 -ATOM 3172 O1 H2O C1058 52.089 49.865 14.691 0.00 0.00 -ATOM 3173 H1 H2O C1058 51.370 49.174 14.771 0.00 0.00 -ATOM 3174 H2 H2O C1058 52.080 50.248 13.766 0.00 0.00 -ATOM 3175 O1 H2O C1059 31.094 7.866 5.843 0.00 0.00 -ATOM 3176 H1 H2O C1059 31.603 8.725 5.807 0.00 0.00 -ATOM 3177 H2 H2O C1059 31.086 7.444 4.936 0.00 0.00 -ATOM 3178 O1 H2O C1060 0.477 55.241 39.293 0.00 0.00 -ATOM 3179 H1 H2O C1060 0.749 56.119 38.899 0.00 0.00 -ATOM 3180 H2 H2O C1060 -0.383 55.352 39.790 0.00 0.00 -ATOM 3181 O1 H2O C1061 4.009 40.174 26.332 0.00 0.00 -ATOM 3182 H1 H2O C1061 4.147 41.037 25.846 0.00 0.00 -ATOM 3183 H2 H2O C1061 4.889 39.834 26.663 0.00 0.00 -ATOM 3184 O1 H2O C1062 5.330 44.989 0.999 0.00 0.00 -ATOM 3185 H1 H2O C1062 5.677 45.846 1.380 0.00 0.00 -ATOM 3186 H2 H2O C1062 4.559 44.668 1.549 0.00 0.00 -ATOM 3187 O1 H2O C1063 42.239 13.791 24.265 0.00 0.00 -ATOM 3188 H1 H2O C1063 42.399 12.883 24.654 0.00 0.00 -ATOM 3189 H2 H2O C1063 43.113 14.201 24.005 0.00 0.00 -ATOM 3190 O1 H2O C1064 2.937 9.170 49.126 0.00 0.00 -ATOM 3191 H1 H2O C1064 2.132 9.700 49.393 0.00 0.00 -ATOM 3192 H2 H2O C1064 2.884 8.257 49.533 0.00 0.00 -ATOM 3193 O1 H2O C1065 41.484 58.450 37.762 0.00 0.00 -ATOM 3194 H1 H2O C1065 41.325 57.540 37.378 0.00 0.00 -ATOM 3195 H2 H2O C1065 41.522 58.389 38.759 0.00 0.00 -ATOM 3196 O1 H2O C1066 9.913 29.649 9.836 0.00 0.00 -ATOM 3197 H1 H2O C1066 9.011 30.059 9.692 0.00 0.00 -ATOM 3198 H2 H2O C1066 10.503 30.302 10.310 0.00 0.00 -ATOM 3199 O1 H2O C1067 39.629 39.762 54.792 0.00 0.00 -ATOM 3200 H1 H2O C1067 39.043 40.446 55.227 0.00 0.00 -ATOM 3201 H2 H2O C1067 40.559 39.842 55.153 0.00 0.00 -ATOM 3202 O1 H2O C1068 34.214 9.558 19.310 0.00 0.00 -ATOM 3203 H1 H2O C1068 34.136 9.640 18.317 0.00 0.00 -ATOM 3204 H2 H2O C1068 34.638 10.384 19.681 0.00 0.00 -ATOM 3205 O1 H2O C1069 22.731 57.912 33.711 0.00 0.00 -ATOM 3206 H1 H2O C1069 22.626 58.257 32.778 0.00 0.00 -ATOM 3207 H2 H2O C1069 23.512 57.289 33.750 0.00 0.00 -ATOM 3208 O1 H2O C1070 60.084 59.184 1.490 0.00 0.00 -ATOM 3209 H1 H2O C1070 59.203 59.482 1.859 0.00 0.00 -ATOM 3210 H2 H2O C1070 60.051 59.204 0.491 0.00 0.00 -ATOM 3211 O1 H2O C1071 49.399 48.509 38.377 0.00 0.00 -ATOM 3212 H1 H2O C1071 49.220 48.331 37.410 0.00 0.00 -ATOM 3213 H2 H2O C1071 48.543 48.751 38.836 0.00 0.00 -ATOM 3214 O1 H2O C1072 10.584 25.827 3.597 0.00 0.00 -ATOM 3215 H1 H2O C1072 9.591 25.736 3.523 0.00 0.00 -ATOM 3216 H2 H2O C1072 10.806 26.482 4.318 0.00 0.00 -ATOM 3217 O1 H2O C1073 17.881 22.576 50.568 0.00 0.00 -ATOM 3218 H1 H2O C1073 17.322 23.361 50.298 0.00 0.00 -ATOM 3219 H2 H2O C1073 18.001 22.578 51.560 0.00 0.00 -ATOM 3220 O1 H2O C1074 26.171 0.351 55.818 0.00 0.00 -ATOM 3221 H1 H2O C1074 26.362 0.099 56.767 0.00 0.00 -ATOM 3222 H2 H2O C1074 25.741 1.254 55.793 0.00 0.00 -ATOM 3223 O1 H2O C1075 57.712 49.007 38.283 0.00 0.00 -ATOM 3224 H1 H2O C1075 57.852 49.357 39.210 0.00 0.00 -ATOM 3225 H2 H2O C1075 56.808 49.285 37.957 0.00 0.00 -ATOM 3226 O1 H2O C1076 45.890 35.589 38.488 0.00 0.00 -ATOM 3227 H1 H2O C1076 45.962 34.799 37.878 0.00 0.00 -ATOM 3228 H2 H2O C1076 46.533 35.483 39.247 0.00 0.00 -ATOM 3229 O1 H2O C1077 25.819 34.343 15.666 0.00 0.00 -ATOM 3230 H1 H2O C1077 24.993 33.804 15.497 0.00 0.00 -ATOM 3231 H2 H2O C1077 26.085 34.252 16.626 0.00 0.00 -ATOM 3232 O1 H2O C1078 29.990 38.569 24.004 0.00 0.00 -ATOM 3233 H1 H2O C1078 30.570 39.189 23.476 0.00 0.00 -ATOM 3234 H2 H2O C1078 29.122 38.435 23.525 0.00 0.00 -ATOM 3235 O1 H2O C1079 12.695 47.855 21.739 0.00 0.00 -ATOM 3236 H1 H2O C1079 12.293 48.532 22.356 0.00 0.00 -ATOM 3237 H2 H2O C1079 13.666 48.056 21.610 0.00 0.00 -ATOM 3238 O1 H2O C1080 21.795 58.863 8.124 0.00 0.00 -ATOM 3239 H1 H2O C1080 22.570 59.470 7.949 0.00 0.00 -ATOM 3240 H2 H2O C1080 21.062 59.378 8.569 0.00 0.00 -ATOM 3241 O1 H2O C1081 53.757 20.987 35.661 0.00 0.00 -ATOM 3242 H1 H2O C1081 52.866 21.252 36.028 0.00 0.00 -ATOM 3243 H2 H2O C1081 54.441 21.669 35.922 0.00 0.00 -ATOM 3244 O1 H2O C1082 43.541 16.794 3.082 0.00 0.00 -ATOM 3245 H1 H2O C1082 44.066 17.306 2.403 0.00 0.00 -ATOM 3246 H2 H2O C1082 43.902 16.983 3.995 0.00 0.00 -ATOM 3247 O1 H2O C1083 9.559 27.319 25.372 0.00 0.00 -ATOM 3248 H1 H2O C1083 10.246 27.001 26.026 0.00 0.00 -ATOM 3249 H2 H2O C1083 9.282 26.560 24.784 0.00 0.00 -ATOM 3250 O1 H2O C1084 16.114 16.161 47.794 0.00 0.00 -ATOM 3251 H1 H2O C1084 16.587 16.714 47.108 0.00 0.00 -ATOM 3252 H2 H2O C1084 16.185 16.605 48.687 0.00 0.00 -ATOM 3253 O1 H2O C1085 24.537 33.813 26.311 0.00 0.00 -ATOM 3254 H1 H2O C1085 23.910 33.234 25.791 0.00 0.00 -ATOM 3255 H2 H2O C1085 25.333 34.033 25.747 0.00 0.00 -ATOM 3256 O1 H2O C1086 58.838 15.218 24.367 0.00 0.00 -ATOM 3257 H1 H2O C1086 58.053 14.664 24.643 0.00 0.00 -ATOM 3258 H2 H2O C1086 58.560 16.175 24.289 0.00 0.00 -ATOM 3259 O1 H2O C1087 40.621 45.435 37.151 0.00 0.00 -ATOM 3260 H1 H2O C1087 39.645 45.559 37.330 0.00 0.00 -ATOM 3261 H2 H2O C1087 40.845 45.813 36.252 0.00 0.00 -ATOM 3262 O1 H2O C1088 21.112 46.495 20.377 0.00 0.00 -ATOM 3263 H1 H2O C1088 21.015 45.627 20.865 0.00 0.00 -ATOM 3264 H2 H2O C1088 20.346 47.094 20.608 0.00 0.00 -ATOM 3265 O1 H2O C1089 28.562 15.557 20.753 0.00 0.00 -ATOM 3266 H1 H2O C1089 29.190 15.599 19.976 0.00 0.00 -ATOM 3267 H2 H2O C1089 28.990 15.048 21.499 0.00 0.00 -ATOM 3268 O1 H2O C1090 5.294 15.484 48.085 0.00 0.00 -ATOM 3269 H1 H2O C1090 5.972 14.980 48.622 0.00 0.00 -ATOM 3270 H2 H2O C1090 4.847 16.163 48.668 0.00 0.00 -ATOM 3271 O1 H2O C1091 21.920 37.090 11.014 0.00 0.00 -ATOM 3272 H1 H2O C1091 21.326 37.663 11.578 0.00 0.00 -ATOM 3273 H2 H2O C1091 22.080 36.218 11.478 0.00 0.00 -ATOM 3274 O1 H2O C1092 39.428 52.651 44.308 0.00 0.00 -ATOM 3275 H1 H2O C1092 38.577 52.165 44.505 0.00 0.00 -ATOM 3276 H2 H2O C1092 39.897 52.863 45.166 0.00 0.00 -ATOM 3277 O1 H2O C1093 34.828 26.351 50.358 0.00 0.00 -ATOM 3278 H1 H2O C1093 35.268 26.763 51.155 0.00 0.00 -ATOM 3279 H2 H2O C1093 35.394 26.506 49.548 0.00 0.00 -ATOM 3280 O1 H2O C1094 36.010 53.703 5.643 0.00 0.00 -ATOM 3281 H1 H2O C1094 36.022 53.593 6.637 0.00 0.00 -ATOM 3282 H2 H2O C1094 36.920 53.968 5.325 0.00 0.00 -ATOM 3283 O1 H2O C1095 48.615 47.195 52.168 0.00 0.00 -ATOM 3284 H1 H2O C1095 48.492 47.430 51.203 0.00 0.00 -ATOM 3285 H2 H2O C1095 47.751 46.857 52.541 0.00 0.00 -ATOM 3286 O1 H2O C1096 26.199 13.865 16.950 0.00 0.00 -ATOM 3287 H1 H2O C1096 26.336 12.875 16.989 0.00 0.00 -ATOM 3288 H2 H2O C1096 25.417 14.070 16.361 0.00 0.00 -ATOM 3289 O1 H2O C1097 47.652 41.953 20.748 0.00 0.00 -ATOM 3290 H1 H2O C1097 47.042 42.178 21.508 0.00 0.00 -ATOM 3291 H2 H2O C1097 47.772 40.961 20.700 0.00 0.00 -ATOM 3292 O1 H2O C1098 57.763 59.337 49.006 0.00 0.00 -ATOM 3293 H1 H2O C1098 58.423 59.870 48.477 0.00 0.00 -ATOM 3294 H2 H2O C1098 58.250 58.684 49.586 0.00 0.00 -ATOM 3295 O1 H2O C1099 14.993 10.379 14.542 0.00 0.00 -ATOM 3296 H1 H2O C1099 14.096 10.691 14.225 0.00 0.00 -ATOM 3297 H2 H2O C1099 15.184 9.475 14.158 0.00 0.00 -ATOM 3298 O1 H2O C1100 44.917 19.795 8.180 0.00 0.00 -ATOM 3299 H1 H2O C1100 45.443 18.970 7.970 0.00 0.00 -ATOM 3300 H2 H2O C1100 43.952 19.556 8.287 0.00 0.00 -ATOM 3301 O1 H2O C1101 26.502 9.329 45.022 0.00 0.00 -ATOM 3302 H1 H2O C1101 25.510 9.314 44.897 0.00 0.00 -ATOM 3303 H2 H2O C1101 26.734 8.923 45.905 0.00 0.00 -ATOM 3304 O1 H2O C1102 32.082 43.381 56.229 0.00 0.00 -ATOM 3305 H1 H2O C1102 32.354 44.299 56.516 0.00 0.00 -ATOM 3306 H2 H2O C1102 32.035 43.344 55.231 0.00 0.00 -ATOM 3307 O1 H2O C1103 54.303 49.691 18.603 0.00 0.00 -ATOM 3308 H1 H2O C1103 54.372 48.740 18.301 0.00 0.00 -ATOM 3309 H2 H2O C1103 55.149 50.174 18.377 0.00 0.00 -ATOM 3310 O1 H2O C1104 43.319 7.373 58.779 0.00 0.00 -ATOM 3311 H1 H2O C1104 42.611 6.729 59.069 0.00 0.00 -ATOM 3312 H2 H2O C1104 42.957 7.967 58.062 0.00 0.00 -ATOM 3313 O1 H2O C1105 51.284 42.845 10.336 0.00 0.00 -ATOM 3314 H1 H2O C1105 51.697 42.301 9.606 0.00 0.00 -ATOM 3315 H2 H2O C1105 51.918 43.568 10.612 0.00 0.00 -ATOM 3316 O1 H2O C1106 55.369 39.697 9.426 0.00 0.00 -ATOM 3317 H1 H2O C1106 55.046 40.396 10.063 0.00 0.00 -ATOM 3318 H2 H2O C1106 54.584 39.250 8.996 0.00 0.00 -ATOM 3319 O1 H2O C1107 18.496 24.691 47.137 0.00 0.00 -ATOM 3320 H1 H2O C1107 18.610 25.624 47.480 0.00 0.00 -ATOM 3321 H2 H2O C1107 18.746 24.040 47.855 0.00 0.00 -ATOM 3322 O1 H2O C1108 15.339 35.835 45.647 0.00 0.00 -ATOM 3323 H1 H2O C1108 15.140 35.409 44.764 0.00 0.00 -ATOM 3324 H2 H2O C1108 15.022 35.239 46.384 0.00 0.00 -ATOM 3325 O1 H2O C1109 37.777 43.914 50.331 0.00 0.00 -ATOM 3326 H1 H2O C1109 38.101 43.018 50.634 0.00 0.00 -ATOM 3327 H2 H2O C1109 37.587 44.487 51.128 0.00 0.00 -ATOM 3328 O1 H2O C1110 36.653 37.363 43.978 0.00 0.00 -ATOM 3329 H1 H2O C1110 36.881 38.083 43.322 0.00 0.00 -ATOM 3330 H2 H2O C1110 35.720 37.498 44.310 0.00 0.00 -ATOM 3331 O1 H2O C1111 35.909 45.286 32.259 0.00 0.00 -ATOM 3332 H1 H2O C1111 35.138 45.309 31.623 0.00 0.00 -ATOM 3333 H2 H2O C1111 36.716 45.682 31.820 0.00 0.00 -ATOM 3334 O1 H2O C1112 47.894 5.121 57.279 0.00 0.00 -ATOM 3335 H1 H2O C1112 48.078 5.840 57.950 0.00 0.00 -ATOM 3336 H2 H2O C1112 47.093 4.596 57.564 0.00 0.00 -ATOM 3337 O1 H2O C1113 42.318 23.890 46.567 0.00 0.00 -ATOM 3338 H1 H2O C1113 41.899 23.939 47.474 0.00 0.00 -ATOM 3339 H2 H2O C1113 41.731 23.359 45.957 0.00 0.00 -ATOM 3340 O1 H2O C1114 25.210 21.224 48.871 0.00 0.00 -ATOM 3341 H1 H2O C1114 24.749 20.785 49.642 0.00 0.00 -ATOM 3342 H2 H2O C1114 25.787 20.554 48.403 0.00 0.00 -ATOM 3343 O1 H2O C1115 18.952 16.249 49.049 0.00 0.00 -ATOM 3344 H1 H2O C1115 18.262 16.481 48.364 0.00 0.00 -ATOM 3345 H2 H2O C1115 19.849 16.188 48.612 0.00 0.00 -ATOM 3346 O1 H2O C1116 20.964 44.233 57.257 0.00 0.00 -ATOM 3347 H1 H2O C1116 21.595 44.432 58.008 0.00 0.00 -ATOM 3348 H2 H2O C1116 21.383 43.567 56.639 0.00 0.00 -ATOM 3349 O1 H2O C1117 27.842 45.980 51.501 0.00 0.00 -ATOM 3350 H1 H2O C1117 27.267 46.767 51.725 0.00 0.00 -ATOM 3351 H2 H2O C1117 28.034 45.460 52.333 0.00 0.00 -ATOM 3352 O1 H2O C1118 46.364 35.103 7.046 0.00 0.00 -ATOM 3353 H1 H2O C1118 46.005 34.506 6.328 0.00 0.00 -ATOM 3354 H2 H2O C1118 47.284 35.406 6.799 0.00 0.00 -ATOM 3355 O1 H2O C1119 28.829 32.896 42.152 0.00 0.00 -ATOM 3356 H1 H2O C1119 28.154 32.158 42.178 0.00 0.00 -ATOM 3357 H2 H2O C1119 29.301 32.947 43.033 0.00 0.00 -ATOM 3358 O1 H2O C1120 41.778 37.860 6.930 0.00 0.00 -ATOM 3359 H1 H2O C1120 41.316 37.051 6.567 0.00 0.00 -ATOM 3360 H2 H2O C1120 41.358 38.683 6.549 0.00 0.00 -ATOM 3361 O1 H2O C1121 36.526 14.589 11.145 0.00 0.00 -ATOM 3362 H1 H2O C1121 36.024 13.977 11.757 0.00 0.00 -ATOM 3363 H2 H2O C1121 35.940 14.839 10.372 0.00 0.00 -ATOM 3364 O1 H2O C1122 56.351 46.479 49.579 0.00 0.00 -ATOM 3365 H1 H2O C1122 56.695 47.405 49.421 0.00 0.00 -ATOM 3366 H2 H2O C1122 55.436 46.527 49.980 0.00 0.00 -ATOM 3367 O1 H2O C1123 10.724 55.836 19.969 0.00 0.00 -ATOM 3368 H1 H2O C1123 10.942 56.307 20.824 0.00 0.00 -ATOM 3369 H2 H2O C1123 11.285 55.011 19.891 0.00 0.00 -ATOM 3370 O1 H2O C1124 5.889 10.947 53.906 0.00 0.00 -ATOM 3371 H1 H2O C1124 5.089 11.362 53.473 0.00 0.00 -ATOM 3372 H2 H2O C1124 6.098 11.433 54.755 0.00 0.00 -ATOM 3373 O1 H2O C1125 56.873 35.568 25.208 0.00 0.00 -ATOM 3374 H1 H2O C1125 57.641 35.397 24.591 0.00 0.00 -ATOM 3375 H2 H2O C1125 57.221 35.790 26.119 0.00 0.00 -ATOM 3376 O1 H2O C1126 51.629 25.234 18.177 0.00 0.00 -ATOM 3377 H1 H2O C1126 52.228 24.719 17.564 0.00 0.00 -ATOM 3378 H2 H2O C1126 50.691 24.900 18.085 0.00 0.00 -ATOM 3379 O1 H2O C1127 22.556 0.647 57.110 0.00 0.00 -ATOM 3380 H1 H2O C1127 23.410 1.158 57.009 0.00 0.00 -ATOM 3381 H2 H2O C1127 22.464 -0.000 56.353 0.00 0.00 -ATOM 3382 O1 H2O C1128 16.760 42.920 25.477 0.00 0.00 -ATOM 3383 H1 H2O C1128 16.587 42.954 24.492 0.00 0.00 -ATOM 3384 H2 H2O C1128 17.614 43.396 25.682 0.00 0.00 -ATOM 3385 O1 H2O C1129 25.081 38.165 2.755 0.00 0.00 -ATOM 3386 H1 H2O C1129 25.873 37.554 2.778 0.00 0.00 -ATOM 3387 H2 H2O C1129 24.472 37.894 2.009 0.00 0.00 -ATOM 3388 O1 H2O C1130 32.877 32.810 22.987 0.00 0.00 -ATOM 3389 H1 H2O C1130 33.609 32.173 22.741 0.00 0.00 -ATOM 3390 H2 H2O C1130 32.995 33.664 22.480 0.00 0.00 -ATOM 3391 O1 H2O C1131 35.797 11.721 30.089 0.00 0.00 -ATOM 3392 H1 H2O C1131 36.127 12.665 30.070 0.00 0.00 -ATOM 3393 H2 H2O C1131 34.917 11.686 30.563 0.00 0.00 -ATOM 3394 O1 H2O C1132 48.880 38.348 24.917 0.00 0.00 -ATOM 3395 H1 H2O C1132 49.743 38.853 24.955 0.00 0.00 -ATOM 3396 H2 H2O C1132 48.133 38.982 24.711 0.00 0.00 -ATOM 3397 O1 H2O C1133 9.925 24.432 3.501 0.00 0.00 -ATOM 3398 H1 H2O C1133 9.581 25.329 3.226 0.00 0.00 -ATOM 3399 H2 H2O C1133 9.567 23.733 2.882 0.00 0.00 -ATOM 3400 O1 H2O C1134 10.628 55.408 45.471 0.00 0.00 -ATOM 3401 H1 H2O C1134 10.829 55.752 46.388 0.00 0.00 -ATOM 3402 H2 H2O C1134 9.645 55.474 45.298 0.00 0.00 -ATOM 3403 O1 H2O C1135 34.082 34.069 7.685 0.00 0.00 -ATOM 3404 H1 H2O C1135 35.064 34.213 7.557 0.00 0.00 -ATOM 3405 H2 H2O C1135 33.793 34.496 8.543 0.00 0.00 -ATOM 3406 O1 H2O C1136 25.565 52.824 50.226 0.00 0.00 -ATOM 3407 H1 H2O C1136 24.862 52.880 50.934 0.00 0.00 -ATOM 3408 H2 H2O C1136 26.443 52.594 50.646 0.00 0.00 -ATOM 3409 O1 H2O C1137 52.851 40.264 56.419 0.00 0.00 -ATOM 3410 H1 H2O C1137 52.140 40.633 57.018 0.00 0.00 -ATOM 3411 H2 H2O C1137 52.685 39.289 56.267 0.00 0.00 -ATOM 3412 O1 H2O C1138 55.434 -0.085 57.864 0.00 0.00 -ATOM 3413 H1 H2O C1138 55.587 0.602 57.153 0.00 0.00 -ATOM 3414 H2 H2O C1138 54.959 0.335 58.637 0.00 0.00 -ATOM 3415 O1 H2O C1139 31.991 16.812 24.185 0.00 0.00 -ATOM 3416 H1 H2O C1139 32.699 17.487 24.389 0.00 0.00 -ATOM 3417 H2 H2O C1139 32.237 15.935 24.598 0.00 0.00 -ATOM 3418 O1 H2O C1140 39.817 23.921 16.604 0.00 0.00 -ATOM 3419 H1 H2O C1140 39.510 22.980 16.746 0.00 0.00 -ATOM 3420 H2 H2O C1140 39.878 24.107 15.623 0.00 0.00 -ATOM 3421 O1 H2O C1141 26.452 52.185 8.777 0.00 0.00 -ATOM 3422 H1 H2O C1141 26.083 52.557 7.925 0.00 0.00 -ATOM 3423 H2 H2O C1141 27.450 52.149 8.721 0.00 0.00 -ATOM 3424 O1 H2O C1142 26.831 56.109 57.543 0.00 0.00 -ATOM 3425 H1 H2O C1142 25.972 55.920 58.018 0.00 0.00 -ATOM 3426 H2 H2O C1142 27.519 56.408 58.204 0.00 0.00 -ATOM 3427 O1 H2O C1143 30.306 1.693 4.018 0.00 0.00 -ATOM 3428 H1 H2O C1143 30.138 2.661 4.203 0.00 0.00 -ATOM 3429 H2 H2O C1143 29.434 1.225 3.874 0.00 0.00 -ATOM 3430 O1 H2O C1144 57.351 31.858 28.044 0.00 0.00 -ATOM 3431 H1 H2O C1144 58.004 32.069 28.773 0.00 0.00 -ATOM 3432 H2 H2O C1144 57.472 30.907 27.755 0.00 0.00 -ATOM 3433 O1 H2O C1145 28.268 42.568 33.549 0.00 0.00 -ATOM 3434 H1 H2O C1145 28.696 41.704 33.815 0.00 0.00 -ATOM 3435 H2 H2O C1145 28.607 42.844 32.649 0.00 0.00 -ATOM 3436 O1 H2O C1146 27.616 45.805 22.901 0.00 0.00 -ATOM 3437 H1 H2O C1146 27.657 45.407 21.985 0.00 0.00 -ATOM 3438 H2 H2O C1146 28.493 45.670 23.363 0.00 0.00 -ATOM 3439 O1 H2O C1147 46.961 1.341 34.742 0.00 0.00 -ATOM 3440 H1 H2O C1147 46.836 0.973 35.663 0.00 0.00 -ATOM 3441 H2 H2O C1147 46.262 2.033 34.561 0.00 0.00 -ATOM 3442 O1 H2O C1148 56.338 11.793 23.186 0.00 0.00 -ATOM 3443 H1 H2O C1148 57.141 11.263 23.457 0.00 0.00 -ATOM 3444 H2 H2O C1148 55.509 11.309 23.465 0.00 0.00 -ATOM 3445 O1 H2O C1149 12.341 44.094 21.291 0.00 0.00 -ATOM 3446 H1 H2O C1149 12.746 44.310 20.403 0.00 0.00 -ATOM 3447 H2 H2O C1149 11.361 43.930 21.180 0.00 0.00 -ATOM 3448 O1 H2O C1150 7.191 2.708 30.646 0.00 0.00 -ATOM 3449 H1 H2O C1150 7.590 2.775 29.731 0.00 0.00 -ATOM 3450 H2 H2O C1150 7.659 1.990 31.161 0.00 0.00 -ATOM 3451 O1 H2O C1151 37.819 23.737 2.026 0.00 0.00 -ATOM 3452 H1 H2O C1151 37.444 24.403 2.673 0.00 0.00 -ATOM 3453 H2 H2O C1151 38.021 24.194 1.159 0.00 0.00 -ATOM 3454 O1 H2O C1152 7.327 39.999 4.381 0.00 0.00 -ATOM 3455 H1 H2O C1152 6.719 40.439 5.043 0.00 0.00 -ATOM 3456 H2 H2O C1152 6.918 39.140 4.072 0.00 0.00 -ATOM 3457 O1 H2O C1153 19.141 35.743 0.439 0.00 0.00 -ATOM 3458 H1 H2O C1153 19.174 36.642 -0.000 0.00 0.00 -ATOM 3459 H2 H2O C1153 18.190 35.503 0.633 0.00 0.00 -ATOM 3460 O1 H2O C1154 0.638 48.415 11.616 0.00 0.00 -ATOM 3461 H1 H2O C1154 1.580 48.692 11.809 0.00 0.00 -ATOM 3462 H2 H2O C1154 0.580 48.062 10.681 0.00 0.00 -ATOM 3463 O1 H2O C1155 30.161 48.580 29.598 0.00 0.00 -ATOM 3464 H1 H2O C1155 29.449 48.879 28.963 0.00 0.00 -ATOM 3465 H2 H2O C1155 30.233 49.235 30.351 0.00 0.00 -ATOM 3466 O1 H2O C1156 47.999 52.850 45.943 0.00 0.00 -ATOM 3467 H1 H2O C1156 48.744 52.864 45.276 0.00 0.00 -ATOM 3468 H2 H2O C1156 48.222 53.461 46.704 0.00 0.00 -ATOM 3469 O1 H2O C1157 59.392 17.413 25.406 0.00 0.00 -ATOM 3470 H1 H2O C1157 59.960 16.740 25.878 0.00 0.00 -ATOM 3471 H2 H2O C1157 59.018 18.059 26.071 0.00 0.00 -ATOM 3472 O1 H2O C1158 15.848 30.607 20.513 0.00 0.00 -ATOM 3473 H1 H2O C1158 15.343 31.357 20.940 0.00 0.00 -ATOM 3474 H2 H2O C1158 15.244 30.114 19.887 0.00 0.00 -ATOM 3475 O1 H2O C1159 12.705 1.610 49.283 0.00 0.00 -ATOM 3476 H1 H2O C1159 11.827 1.973 48.968 0.00 0.00 -ATOM 3477 H2 H2O C1159 12.763 1.700 50.278 0.00 0.00 -ATOM 3478 O1 H2O C1160 10.108 10.707 15.406 0.00 0.00 -ATOM 3479 H1 H2O C1160 9.578 9.911 15.114 0.00 0.00 -ATOM 3480 H2 H2O C1160 10.923 10.402 15.898 0.00 0.00 -ATOM 3481 O1 H2O C1161 21.068 5.058 6.495 0.00 0.00 -ATOM 3482 H1 H2O C1161 21.176 5.127 7.487 0.00 0.00 -ATOM 3483 H2 H2O C1161 21.928 4.753 6.087 0.00 0.00 -ATOM 3484 O1 H2O C1162 41.664 54.926 58.726 0.00 0.00 -ATOM 3485 H1 H2O C1162 42.415 55.146 58.103 0.00 0.00 -ATOM 3486 H2 H2O C1162 42.021 54.420 59.512 0.00 0.00 -ATOM 3487 O1 H2O C1163 55.807 45.602 53.322 0.00 0.00 -ATOM 3488 H1 H2O C1163 56.791 45.583 53.499 0.00 0.00 -ATOM 3489 H2 H2O C1163 55.469 46.538 53.420 0.00 0.00 -ATOM 3490 O1 H2O C1164 59.625 31.019 59.423 0.00 0.00 -ATOM 3491 H1 H2O C1164 59.292 31.252 58.510 0.00 0.00 -ATOM 3492 H2 H2O C1164 59.388 31.752 60.062 0.00 0.00 -ATOM 3493 O1 H2O C1165 33.321 15.213 36.756 0.00 0.00 -ATOM 3494 H1 H2O C1165 33.017 16.098 36.404 0.00 0.00 -ATOM 3495 H2 H2O C1165 32.533 14.704 37.102 0.00 0.00 -ATOM 3496 O1 H2O C1166 47.886 1.675 5.290 0.00 0.00 -ATOM 3497 H1 H2O C1166 48.785 1.803 4.871 0.00 0.00 -ATOM 3498 H2 H2O C1166 47.175 1.819 4.603 0.00 0.00 -ATOM 3499 O1 H2O C1167 33.211 49.730 11.006 0.00 0.00 -ATOM 3500 H1 H2O C1167 32.690 50.497 11.380 0.00 0.00 -ATOM 3501 H2 H2O C1167 32.601 49.141 10.476 0.00 0.00 -ATOM 3502 O1 H2O C1168 51.708 51.251 47.655 0.00 0.00 -ATOM 3503 H1 H2O C1168 50.721 51.091 47.694 0.00 0.00 -ATOM 3504 H2 H2O C1168 52.118 51.021 48.538 0.00 0.00 -ATOM 3505 O1 H2O C1169 41.349 57.308 36.593 0.00 0.00 -ATOM 3506 H1 H2O C1169 42.118 56.976 36.046 0.00 0.00 -ATOM 3507 H2 H2O C1169 41.694 57.868 37.346 0.00 0.00 -ATOM 3508 O1 H2O C1170 26.369 42.643 52.493 0.00 0.00 -ATOM 3509 H1 H2O C1170 25.910 42.905 53.341 0.00 0.00 -ATOM 3510 H2 H2O C1170 27.204 42.137 52.708 0.00 0.00 -ATOM 3511 O1 H2O C1171 19.867 14.544 9.883 0.00 0.00 -ATOM 3512 H1 H2O C1171 20.433 14.369 9.077 0.00 0.00 -ATOM 3513 H2 H2O C1171 20.038 13.838 10.570 0.00 0.00 -ATOM 3514 O1 H2O C1172 4.757 5.822 32.733 0.00 0.00 -ATOM 3515 H1 H2O C1172 4.531 5.583 31.789 0.00 0.00 -ATOM 3516 H2 H2O C1172 4.373 5.137 33.352 0.00 0.00 -ATOM 3517 O1 H2O C1173 11.911 49.522 12.172 0.00 0.00 -ATOM 3518 H1 H2O C1173 12.119 48.894 12.922 0.00 0.00 -ATOM 3519 H2 H2O C1173 12.165 50.453 12.438 0.00 0.00 -ATOM 3520 O1 H2O C1174 0.039 43.966 27.106 0.00 0.00 -ATOM 3521 H1 H2O C1174 0.812 44.344 27.615 0.00 0.00 -ATOM 3522 H2 H2O C1174 -0.114 43.019 27.387 0.00 0.00 -ATOM 3523 O1 H2O C1175 58.389 51.637 5.459 0.00 0.00 -ATOM 3524 H1 H2O C1175 58.930 51.017 6.027 0.00 0.00 -ATOM 3525 H2 H2O C1175 57.530 51.193 5.205 0.00 0.00 -ATOM 3526 O1 H2O C1176 37.750 55.310 7.744 0.00 0.00 -ATOM 3527 H1 H2O C1176 37.350 56.153 7.385 0.00 0.00 -ATOM 3528 H2 H2O C1176 38.498 55.534 8.368 0.00 0.00 -ATOM 3529 O1 H2O C1177 59.259 42.181 3.832 0.00 0.00 -ATOM 3530 H1 H2O C1177 59.487 41.495 3.141 0.00 0.00 -ATOM 3531 H2 H2O C1177 58.289 42.111 4.064 0.00 0.00 -ATOM 3532 O1 H2O C1178 58.910 8.528 28.506 0.00 0.00 -ATOM 3533 H1 H2O C1178 59.016 9.012 29.375 0.00 0.00 -ATOM 3534 H2 H2O C1178 58.040 8.784 28.085 0.00 0.00 -ATOM 3535 O1 H2O C1179 48.935 54.053 43.327 0.00 0.00 -ATOM 3536 H1 H2O C1179 49.668 54.482 43.856 0.00 0.00 -ATOM 3537 H2 H2O C1179 48.707 54.632 42.544 0.00 0.00 -ATOM 3538 O1 H2O C1180 52.993 33.436 39.510 0.00 0.00 -ATOM 3539 H1 H2O C1180 52.153 32.898 39.576 0.00 0.00 -ATOM 3540 H2 H2O C1180 53.763 32.896 39.850 0.00 0.00 -ATOM 3541 O1 H2O C1181 15.202 9.928 55.075 0.00 0.00 -ATOM 3542 H1 H2O C1181 15.100 9.000 54.714 0.00 0.00 -ATOM 3543 H2 H2O C1181 15.473 9.882 56.037 0.00 0.00 -ATOM 3544 O1 H2O C1182 31.352 48.310 36.269 0.00 0.00 -ATOM 3545 H1 H2O C1182 32.204 47.809 36.423 0.00 0.00 -ATOM 3546 H2 H2O C1182 31.201 48.415 35.286 0.00 0.00 -ATOM 3547 O1 H2O C1183 0.649 7.329 31.582 0.00 0.00 -ATOM 3548 H1 H2O C1183 0.062 6.697 32.088 0.00 0.00 -ATOM 3549 H2 H2O C1183 0.892 6.925 30.700 0.00 0.00 -ATOM 3550 O1 H2O C1184 30.968 54.129 0.508 0.00 0.00 -ATOM 3551 H1 H2O C1184 31.909 53.823 0.654 0.00 0.00 -ATOM 3552 H2 H2O C1184 30.465 53.428 -0.000 0.00 0.00 -ATOM 3553 O1 H2O C1185 31.924 0.839 5.111 0.00 0.00 -ATOM 3554 H1 H2O C1185 31.255 1.527 4.826 0.00 0.00 -ATOM 3555 H2 H2O C1185 32.255 0.345 4.307 0.00 0.00 -ATOM 3556 O1 H2O C1186 37.225 34.017 32.075 0.00 0.00 -ATOM 3557 H1 H2O C1186 37.470 34.136 31.113 0.00 0.00 -ATOM 3558 H2 H2O C1186 36.405 34.552 32.279 0.00 0.00 -ATOM 3559 O1 H2O C1187 45.097 26.408 52.504 0.00 0.00 -ATOM 3560 H1 H2O C1187 45.466 26.070 53.370 0.00 0.00 -ATOM 3561 H2 H2O C1187 44.327 25.835 52.223 0.00 0.00 -ATOM 3562 O1 H2O C1188 17.036 51.094 32.312 0.00 0.00 -ATOM 3563 H1 H2O C1188 17.567 50.304 32.617 0.00 0.00 -ATOM 3564 H2 H2O C1188 16.135 51.078 32.746 0.00 0.00 -ATOM 3565 O1 H2O C1189 30.640 40.176 45.520 0.00 0.00 -ATOM 3566 H1 H2O C1189 30.055 39.690 44.871 0.00 0.00 -ATOM 3567 H2 H2O C1189 30.383 39.926 46.453 0.00 0.00 -ATOM 3568 O1 H2O C1190 2.859 22.333 18.243 0.00 0.00 -ATOM 3569 H1 H2O C1190 2.484 23.227 17.999 0.00 0.00 -ATOM 3570 H2 H2O C1190 2.908 21.757 17.427 0.00 0.00 -ATOM 3571 O1 H2O C1191 40.580 1.224 56.483 0.00 0.00 -ATOM 3572 H1 H2O C1191 40.714 1.372 57.463 0.00 0.00 -ATOM 3573 H2 H2O C1191 40.506 2.107 56.019 0.00 0.00 -ATOM 3574 O1 H2O C1192 3.729 52.683 47.497 0.00 0.00 -ATOM 3575 H1 H2O C1192 4.584 52.452 47.033 0.00 0.00 -ATOM 3576 H2 H2O C1192 2.969 52.610 46.852 0.00 0.00 -ATOM 3577 O1 H2O C1193 58.140 44.786 35.035 0.00 0.00 -ATOM 3578 H1 H2O C1193 58.419 44.838 35.993 0.00 0.00 -ATOM 3579 H2 H2O C1193 57.177 44.519 34.982 0.00 0.00 -ATOM 3580 O1 H2O C1194 48.781 6.558 0.629 0.00 0.00 -ATOM 3581 H1 H2O C1194 48.232 6.205 1.387 0.00 0.00 -ATOM 3582 H2 H2O C1194 48.328 7.357 0.233 0.00 0.00 -ATOM 3583 O1 H2O C1195 18.465 17.045 12.762 0.00 0.00 -ATOM 3584 H1 H2O C1195 19.087 16.435 13.253 0.00 0.00 -ATOM 3585 H2 H2O C1195 18.825 17.978 12.786 0.00 0.00 -ATOM 3586 O1 H2O C1196 36.826 23.280 34.708 0.00 0.00 -ATOM 3587 H1 H2O C1196 37.177 22.634 34.030 0.00 0.00 -ATOM 3588 H2 H2O C1196 36.705 24.177 34.284 0.00 0.00 -ATOM 3589 O1 H2O C1197 58.375 27.065 6.244 0.00 0.00 -ATOM 3590 H1 H2O C1197 59.168 27.387 6.761 0.00 0.00 -ATOM 3591 H2 H2O C1197 58.620 26.236 5.741 0.00 0.00 -ATOM 3592 O1 H2O C1198 0.881 47.478 12.123 0.00 0.00 -ATOM 3593 H1 H2O C1198 0.421 47.982 12.854 0.00 0.00 -ATOM 3594 H2 H2O C1198 0.469 47.718 11.243 0.00 0.00 -ATOM 3595 O1 H2O C1199 58.976 21.477 49.190 0.00 0.00 -ATOM 3596 H1 H2O C1199 59.859 21.667 48.760 0.00 0.00 -ATOM 3597 H2 H2O C1199 58.809 20.491 49.185 0.00 0.00 -ATOM 3598 O1 H2O C1200 21.798 13.516 8.744 0.00 0.00 -ATOM 3599 H1 H2O C1200 21.765 12.962 7.912 0.00 0.00 -ATOM 3600 H2 H2O C1200 21.253 13.075 9.458 0.00 0.00 -ATOM 3601 O1 H2O C1201 59.304 25.038 22.559 0.00 0.00 -ATOM 3602 H1 H2O C1201 59.295 24.745 23.515 0.00 0.00 -ATOM 3603 H2 H2O C1201 58.415 24.847 22.143 0.00 0.00 -ATOM 3604 O1 H2O C1202 15.964 28.787 19.030 0.00 0.00 -ATOM 3605 H1 H2O C1202 15.583 29.703 19.156 0.00 0.00 -ATOM 3606 H2 H2O C1202 15.997 28.315 19.911 0.00 0.00 -ATOM 3607 O1 H2O C1203 34.748 41.816 23.117 0.00 0.00 -ATOM 3608 H1 H2O C1203 34.379 42.430 23.815 0.00 0.00 -ATOM 3609 H2 H2O C1203 35.335 42.334 22.494 0.00 0.00 -ATOM 3610 O1 H2O C1204 50.588 15.452 20.692 0.00 0.00 -ATOM 3611 H1 H2O C1204 49.859 14.877 20.322 0.00 0.00 -ATOM 3612 H2 H2O C1204 51.169 14.907 21.296 0.00 0.00 -ATOM 3613 O1 H2O C1205 25.922 53.191 36.169 0.00 0.00 -ATOM 3614 H1 H2O C1205 26.395 54.059 36.022 0.00 0.00 -ATOM 3615 H2 H2O C1205 26.273 52.508 35.528 0.00 0.00 -ATOM 3616 O1 H2O C1206 21.359 40.565 3.677 0.00 0.00 -ATOM 3617 H1 H2O C1206 22.082 40.890 4.287 0.00 0.00 -ATOM 3618 H2 H2O C1206 21.568 39.634 3.379 0.00 0.00 -ATOM 3619 O1 H2O C1207 30.714 54.126 1.959 0.00 0.00 -ATOM 3620 H1 H2O C1207 30.184 53.541 2.573 0.00 0.00 -ATOM 3621 H2 H2O C1207 30.162 54.916 1.694 0.00 0.00 -ATOM 3622 O1 H2O C1208 23.625 57.292 14.776 0.00 0.00 -ATOM 3623 H1 H2O C1208 23.462 56.964 13.846 0.00 0.00 -ATOM 3624 H2 H2O C1208 23.189 58.184 14.897 0.00 0.00 -ATOM 3625 O1 H2O C1209 49.266 56.651 45.038 0.00 0.00 -ATOM 3626 H1 H2O C1209 49.678 57.367 45.602 0.00 0.00 -ATOM 3627 H2 H2O C1209 49.215 55.801 45.565 0.00 0.00 -ATOM 3628 O1 H2O C1210 1.293 49.347 31.917 0.00 0.00 -ATOM 3629 H1 H2O C1210 2.080 48.865 32.302 0.00 0.00 -ATOM 3630 H2 H2O C1210 0.630 48.682 31.572 0.00 0.00 -ATOM 3631 O1 H2O C1211 9.351 13.326 14.374 0.00 0.00 -ATOM 3632 H1 H2O C1211 8.826 12.827 15.063 0.00 0.00 -ATOM 3633 H2 H2O C1211 8.737 13.922 13.855 0.00 0.00 -ATOM 3634 O1 H2O C1212 51.709 2.249 26.952 0.00 0.00 -ATOM 3635 H1 H2O C1212 52.158 1.539 27.494 0.00 0.00 -ATOM 3636 H2 H2O C1212 50.728 2.244 27.144 0.00 0.00 -ATOM 3637 O1 H2O C1213 29.145 13.879 0.438 0.00 0.00 -ATOM 3638 H1 H2O C1213 28.604 13.558 1.216 0.00 0.00 -ATOM 3639 H2 H2O C1213 28.556 14.384 -0.192 0.00 0.00 -ATOM 3640 O1 H2O C1214 40.224 48.508 45.306 0.00 0.00 -ATOM 3641 H1 H2O C1214 40.267 49.446 45.649 0.00 0.00 -ATOM 3642 H2 H2O C1214 40.849 47.932 45.831 0.00 0.00 -ATOM 3643 O1 H2O C1215 49.101 31.735 21.795 0.00 0.00 -ATOM 3644 H1 H2O C1215 48.864 31.601 22.758 0.00 0.00 -ATOM 3645 H2 H2O C1215 48.355 31.401 21.219 0.00 0.00 -ATOM 3646 O1 H2O C1216 27.445 14.959 57.939 0.00 0.00 -ATOM 3647 H1 H2O C1216 26.448 15.020 57.998 0.00 0.00 -ATOM 3648 H2 H2O C1216 27.838 15.876 58.000 0.00 0.00 -ATOM 3649 O1 H2O C1217 54.534 7.762 19.177 0.00 0.00 -ATOM 3650 H1 H2O C1217 54.577 8.558 18.574 0.00 0.00 -ATOM 3651 H2 H2O C1217 55.445 7.358 19.261 0.00 0.00 -ATOM 3652 O1 H2O C1218 28.951 3.591 48.191 0.00 0.00 -ATOM 3653 H1 H2O C1218 28.097 4.110 48.250 0.00 0.00 -ATOM 3654 H2 H2O C1218 29.324 3.669 47.265 0.00 0.00 -ATOM 3655 O1 H2O C1219 42.393 56.991 3.969 0.00 0.00 -ATOM 3656 H1 H2O C1219 41.577 57.068 4.542 0.00 0.00 -ATOM 3657 H2 H2O C1219 42.535 57.848 3.475 0.00 0.00 -ATOM 3658 O1 H2O C1220 54.010 29.721 21.045 0.00 0.00 -ATOM 3659 H1 H2O C1220 53.407 28.931 20.929 0.00 0.00 -ATOM 3660 H2 H2O C1220 54.123 30.185 20.166 0.00 0.00 -ATOM 3661 O1 H2O C1221 21.695 51.867 20.526 0.00 0.00 -ATOM 3662 H1 H2O C1221 20.982 51.176 20.644 0.00 0.00 -ATOM 3663 H2 H2O C1221 22.440 51.487 19.978 0.00 0.00 -ATOM 3664 O1 H2O C1222 5.157 52.635 33.431 0.00 0.00 -ATOM 3665 H1 H2O C1222 5.412 53.541 33.769 0.00 0.00 -ATOM 3666 H2 H2O C1222 5.238 51.968 34.173 0.00 0.00 -ATOM 3667 O1 H2O C1223 22.278 46.756 44.549 0.00 0.00 -ATOM 3668 H1 H2O C1223 21.857 45.859 44.411 0.00 0.00 -ATOM 3669 H2 H2O C1223 23.273 46.663 44.538 0.00 0.00 -ATOM 3670 O1 H2O C1224 3.320 6.396 55.743 0.00 0.00 -ATOM 3671 H1 H2O C1224 4.226 6.811 55.657 0.00 0.00 -ATOM 3672 H2 H2O C1224 2.736 6.712 54.995 0.00 0.00 -ATOM 3673 O1 H2O C1225 51.830 52.942 12.509 0.00 0.00 -ATOM 3674 H1 H2O C1225 51.288 53.493 13.144 0.00 0.00 -ATOM 3675 H2 H2O C1225 51.660 53.251 11.572 0.00 0.00 -ATOM 3676 O1 H2O C1226 11.572 32.363 13.523 0.00 0.00 -ATOM 3677 H1 H2O C1226 10.714 32.117 13.974 0.00 0.00 -ATOM 3678 H2 H2O C1226 12.342 32.100 14.105 0.00 0.00 -ATOM 3679 O1 H2O C1227 28.490 59.121 55.402 0.00 0.00 -ATOM 3680 H1 H2O C1227 28.131 59.192 56.333 0.00 0.00 -ATOM 3681 H2 H2O C1227 29.329 59.661 55.327 0.00 0.00 -ATOM 3682 O1 H2O C1228 38.157 7.316 12.655 0.00 0.00 -ATOM 3683 H1 H2O C1228 37.475 6.807 13.180 0.00 0.00 -ATOM 3684 H2 H2O C1228 38.076 8.291 12.861 0.00 0.00 -ATOM 3685 O1 H2O C1229 5.200 53.012 4.303 0.00 0.00 -ATOM 3686 H1 H2O C1229 4.795 52.098 4.335 0.00 0.00 -ATOM 3687 H2 H2O C1229 6.115 52.986 4.704 0.00 0.00 -ATOM 3688 O1 H2O C1230 57.851 49.246 16.492 0.00 0.00 -ATOM 3689 H1 H2O C1230 57.224 48.474 16.390 0.00 0.00 -ATOM 3690 H2 H2O C1230 57.365 50.098 16.300 0.00 0.00 -ATOM 3691 O1 H2O C1231 16.736 17.238 29.832 0.00 0.00 -ATOM 3692 H1 H2O C1231 17.593 17.563 30.231 0.00 0.00 -ATOM 3693 H2 H2O C1231 16.511 16.340 30.211 0.00 0.00 -ATOM 3694 O1 H2O C1232 59.350 35.435 11.501 0.00 0.00 -ATOM 3695 H1 H2O C1232 59.164 35.657 12.458 0.00 0.00 -ATOM 3696 H2 H2O C1232 59.129 34.475 11.333 0.00 0.00 -ATOM 3697 O1 H2O C1233 13.608 6.282 30.408 0.00 0.00 -ATOM 3698 H1 H2O C1233 13.123 6.656 29.617 0.00 0.00 -ATOM 3699 H2 H2O C1233 14.152 5.494 30.122 0.00 0.00 -ATOM 3700 O1 H2O C1234 30.579 20.546 16.117 0.00 0.00 -ATOM 3701 H1 H2O C1234 29.855 20.376 15.448 0.00 0.00 -ATOM 3702 H2 H2O C1234 30.169 20.713 17.014 0.00 0.00 -ATOM 3703 O1 H2O C1235 37.205 15.403 58.888 0.00 0.00 -ATOM 3704 H1 H2O C1235 36.380 14.968 59.250 0.00 0.00 -ATOM 3705 H2 H2O C1235 36.946 16.140 58.264 0.00 0.00 -ATOM 3706 O1 H2O C1236 26.828 50.172 19.332 0.00 0.00 -ATOM 3707 H1 H2O C1236 27.428 49.657 18.720 0.00 0.00 -ATOM 3708 H2 H2O C1236 26.200 49.543 19.790 0.00 0.00 -ATOM 3709 O1 H2O C1237 36.395 18.582 12.095 0.00 0.00 -ATOM 3710 H1 H2O C1237 35.741 19.266 12.417 0.00 0.00 -ATOM 3711 H2 H2O C1237 37.123 19.034 11.580 0.00 0.00 -ATOM 3712 O1 H2O C1238 33.001 10.512 40.221 0.00 0.00 -ATOM 3713 H1 H2O C1238 32.887 9.519 40.164 0.00 0.00 -ATOM 3714 H2 H2O C1238 33.259 10.764 41.154 0.00 0.00 -ATOM 3715 O1 H2O C1239 34.204 5.637 16.238 0.00 0.00 -ATOM 3716 H1 H2O C1239 33.463 6.024 16.787 0.00 0.00 -ATOM 3717 H2 H2O C1239 34.966 5.387 16.836 0.00 0.00 -ATOM 3718 O1 H2O C1240 37.385 44.890 0.488 0.00 0.00 -ATOM 3719 H1 H2O C1240 37.027 45.759 0.146 0.00 0.00 -ATOM 3720 H2 H2O C1240 38.356 44.817 0.260 0.00 0.00 -ATOM 3721 O1 H2O C1241 0.654 14.769 45.259 0.00 0.00 -ATOM 3722 H1 H2O C1241 0.630 14.272 44.392 0.00 0.00 -ATOM 3723 H2 H2O C1241 0.903 15.723 45.090 0.00 0.00 -ATOM 3724 O1 H2O C1242 48.890 29.489 50.829 0.00 0.00 -ATOM 3725 H1 H2O C1242 49.002 29.714 51.797 0.00 0.00 -ATOM 3726 H2 H2O C1242 49.597 29.952 50.295 0.00 0.00 -ATOM 3727 O1 H2O C1243 39.634 16.237 47.586 0.00 0.00 -ATOM 3728 H1 H2O C1243 39.939 15.682 46.811 0.00 0.00 -ATOM 3729 H2 H2O C1243 38.640 16.336 47.554 0.00 0.00 -ATOM 3730 O1 H2O C1244 8.302 58.433 10.200 0.00 0.00 -ATOM 3731 H1 H2O C1244 8.324 59.427 10.311 0.00 0.00 -ATOM 3732 H2 H2O C1244 7.719 58.197 9.423 0.00 0.00 -ATOM 3733 O1 H2O C1245 26.952 29.754 38.765 0.00 0.00 -ATOM 3734 H1 H2O C1245 26.380 29.968 39.557 0.00 0.00 -ATOM 3735 H2 H2O C1245 26.420 29.874 37.927 0.00 0.00 -ATOM 3736 O1 H2O C1246 44.940 40.334 40.751 0.00 0.00 -ATOM 3737 H1 H2O C1246 45.812 40.817 40.825 0.00 0.00 -ATOM 3738 H2 H2O C1246 44.365 40.561 41.537 0.00 0.00 -ATOM 3739 O1 H2O C1247 0.800 48.778 52.905 0.00 0.00 -ATOM 3740 H1 H2O C1247 1.646 49.256 52.669 0.00 0.00 -ATOM 3741 H2 H2O C1247 0.478 48.259 52.113 0.00 0.00 -ATOM 3742 O1 H2O C1248 37.180 50.448 17.603 0.00 0.00 -ATOM 3743 H1 H2O C1248 37.013 49.614 17.078 0.00 0.00 -ATOM 3744 H2 H2O C1248 36.407 50.617 18.215 0.00 0.00 -ATOM 3745 O1 H2O C1249 13.505 30.620 34.089 0.00 0.00 -ATOM 3746 H1 H2O C1249 14.046 31.460 34.112 0.00 0.00 -ATOM 3747 H2 H2O C1249 13.441 30.239 35.012 0.00 0.00 -ATOM 3748 O1 H2O C1250 9.051 16.854 15.349 0.00 0.00 -ATOM 3749 H1 H2O C1250 8.715 15.932 15.541 0.00 0.00 -ATOM 3750 H2 H2O C1250 9.583 17.183 16.130 0.00 0.00 -ATOM 3751 O1 H2O C1251 60.021 21.732 35.989 0.00 0.00 -ATOM 3752 H1 H2O C1251 59.563 21.966 35.131 0.00 0.00 -ATOM 3753 H2 H2O C1251 59.350 21.378 36.640 0.00 0.00 -ATOM 3754 O1 H2O C1252 17.274 9.939 8.996 0.00 0.00 -ATOM 3755 H1 H2O C1252 18.076 10.488 8.756 0.00 0.00 -ATOM 3756 H2 H2O C1252 16.819 9.632 8.159 0.00 0.00 -ATOM 3757 O1 H2O C1253 10.210 54.377 44.191 0.00 0.00 -ATOM 3758 H1 H2O C1253 9.227 54.508 44.062 0.00 0.00 -ATOM 3759 H2 H2O C1253 10.630 54.126 43.319 0.00 0.00 -ATOM 3760 O1 H2O C1254 37.859 20.181 14.195 0.00 0.00 -ATOM 3761 H1 H2O C1254 37.585 21.141 14.135 0.00 0.00 -ATOM 3762 H2 H2O C1254 37.049 19.611 14.333 0.00 0.00 -ATOM 3763 O1 H2O C1255 40.983 45.700 37.540 0.00 0.00 -ATOM 3764 H1 H2O C1255 40.580 44.785 37.505 0.00 0.00 -ATOM 3765 H2 H2O C1255 41.974 45.623 37.649 0.00 0.00 -ATOM 3766 O1 H2O C1256 24.498 39.110 53.346 0.00 0.00 -ATOM 3767 H1 H2O C1256 25.443 39.084 53.671 0.00 0.00 -ATOM 3768 H2 H2O C1256 24.074 39.972 53.624 0.00 0.00 -ATOM 3769 O1 H2O C1257 40.186 23.154 4.283 0.00 0.00 -ATOM 3770 H1 H2O C1257 39.829 24.080 4.160 0.00 0.00 -ATOM 3771 H2 H2O C1257 40.855 23.151 5.026 0.00 0.00 -ATOM 3772 O1 H2O C1258 12.298 9.856 5.261 0.00 0.00 -ATOM 3773 H1 H2O C1258 11.674 9.099 5.459 0.00 0.00 -ATOM 3774 H2 H2O C1258 13.227 9.502 5.156 0.00 0.00 -ATOM 3775 O1 H2O C1259 50.095 23.472 24.598 0.00 0.00 -ATOM 3776 H1 H2O C1259 49.444 22.945 24.051 0.00 0.00 -ATOM 3777 H2 H2O C1259 50.243 23.012 25.474 0.00 0.00 -ATOM 3778 O1 H2O C1260 27.240 11.376 44.630 0.00 0.00 -ATOM 3779 H1 H2O C1260 26.464 11.975 44.431 0.00 0.00 -ATOM 3780 H2 H2O C1260 28.093 11.857 44.425 0.00 0.00 -ATOM 3781 O1 H2O C1261 49.326 52.929 48.976 0.00 0.00 -ATOM 3782 H1 H2O C1261 49.407 52.984 49.972 0.00 0.00 -ATOM 3783 H2 H2O C1261 49.357 53.851 48.588 0.00 0.00 -ATOM 3784 O1 H2O C1262 28.969 0.279 25.649 0.00 0.00 -ATOM 3785 H1 H2O C1262 29.609 0.668 24.986 0.00 0.00 -ATOM 3786 H2 H2O C1262 28.539 1.017 26.170 0.00 0.00 -ATOM 3787 O1 H2O C1263 16.557 26.693 30.676 0.00 0.00 -ATOM 3788 H1 H2O C1263 17.220 27.230 31.197 0.00 0.00 -ATOM 3789 H2 H2O C1263 17.021 25.918 30.247 0.00 0.00 -ATOM 3790 O1 H2O C1264 2.789 7.616 19.055 0.00 0.00 -ATOM 3791 H1 H2O C1264 3.769 7.438 19.140 0.00 0.00 -ATOM 3792 H2 H2O C1264 2.338 6.816 18.657 0.00 0.00 -ATOM 3793 O1 H2O C1265 31.895 16.452 11.029 0.00 0.00 -ATOM 3794 H1 H2O C1265 31.068 16.870 10.654 0.00 0.00 -ATOM 3795 H2 H2O C1265 32.469 16.120 10.280 0.00 0.00 -ATOM 3796 O1 H2O C1266 20.002 20.744 12.985 0.00 0.00 -ATOM 3797 H1 H2O C1266 19.270 20.280 13.484 0.00 0.00 -ATOM 3798 H2 H2O C1266 20.765 20.925 13.605 0.00 0.00 -ATOM 3799 O1 H2O C1267 46.644 12.871 34.311 0.00 0.00 -ATOM 3800 H1 H2O C1267 46.153 13.377 33.602 0.00 0.00 -ATOM 3801 H2 H2O C1267 47.240 12.191 33.884 0.00 0.00 -ATOM 3802 O1 H2O C1268 9.894 24.410 8.854 0.00 0.00 -ATOM 3803 H1 H2O C1268 9.271 25.178 8.703 0.00 0.00 -ATOM 3804 H2 H2O C1268 9.366 23.568 8.961 0.00 0.00 -ATOM 3805 O1 H2O C1269 17.567 30.477 47.455 0.00 0.00 -ATOM 3806 H1 H2O C1269 16.793 30.839 47.974 0.00 0.00 -ATOM 3807 H2 H2O C1269 17.736 31.060 46.660 0.00 0.00 -ATOM 3808 O1 H2O C1270 2.558 12.840 26.300 0.00 0.00 -ATOM 3809 H1 H2O C1270 3.154 12.164 25.866 0.00 0.00 -ATOM 3810 H2 H2O C1270 1.850 12.371 26.827 0.00 0.00 -ATOM 3811 O1 H2O C1271 22.219 26.011 42.619 0.00 0.00 -ATOM 3812 H1 H2O C1271 22.511 26.957 42.762 0.00 0.00 -ATOM 3813 H2 H2O C1271 22.863 25.392 43.068 0.00 0.00 -ATOM 3814 O1 H2O C1272 3.579 6.194 27.897 0.00 0.00 -ATOM 3815 H1 H2O C1272 4.168 5.474 27.526 0.00 0.00 -ATOM 3816 H2 H2O C1272 2.941 6.499 27.190 0.00 0.00 -ATOM 3817 O1 H2O C1273 55.419 58.113 59.997 0.00 0.00 -ATOM 3818 H1 H2O C1273 54.490 57.747 60.063 0.00 0.00 -ATOM 3819 H2 H2O C1273 55.948 57.563 59.351 0.00 0.00 -ATOM 3820 O1 H2O C1274 25.282 59.182 42.257 0.00 0.00 -ATOM 3821 H1 H2O C1274 24.579 59.102 42.963 0.00 0.00 -ATOM 3822 H2 H2O C1274 25.705 58.289 42.104 0.00 0.00 -ATOM 3823 O1 H2O C1275 21.731 4.808 25.335 0.00 0.00 -ATOM 3824 H1 H2O C1275 22.722 4.789 25.209 0.00 0.00 -ATOM 3825 H2 H2O C1275 21.288 5.037 24.468 0.00 0.00 -ATOM 3826 O1 H2O C1276 26.344 47.528 34.137 0.00 0.00 -ATOM 3827 H1 H2O C1276 25.811 46.887 34.689 0.00 0.00 -ATOM 3828 H2 H2O C1276 27.123 47.859 34.669 0.00 0.00 -ATOM 3829 O1 H2O C1277 3.457 8.741 1.408 0.00 0.00 -ATOM 3830 H1 H2O C1277 2.632 9.168 1.037 0.00 0.00 -ATOM 3831 H2 H2O C1277 4.076 8.506 0.659 0.00 0.00 -ATOM 3832 O1 H2O C1278 2.076 53.333 20.851 0.00 0.00 -ATOM 3833 H1 H2O C1278 1.400 52.981 21.500 0.00 0.00 -ATOM 3834 H2 H2O C1278 2.631 54.036 21.298 0.00 0.00 -ATOM 3835 O1 H2O C1279 48.898 50.548 2.748 0.00 0.00 -ATOM 3836 H1 H2O C1279 49.589 51.263 2.642 0.00 0.00 -ATOM 3837 H2 H2O C1279 49.195 49.724 2.265 0.00 0.00 -ATOM 3838 O1 H2O C1280 19.066 55.407 33.274 0.00 0.00 -ATOM 3839 H1 H2O C1280 19.728 55.555 32.539 0.00 0.00 -ATOM 3840 H2 H2O C1280 19.286 54.559 33.755 0.00 0.00 -ATOM 3841 O1 H2O C1281 31.615 56.702 48.474 0.00 0.00 -ATOM 3842 H1 H2O C1281 31.935 55.804 48.173 0.00 0.00 -ATOM 3843 H2 H2O C1281 31.324 56.650 49.429 0.00 0.00 -ATOM 3844 O1 H2O C1282 31.970 56.035 56.231 0.00 0.00 -ATOM 3845 H1 H2O C1282 32.493 55.218 55.986 0.00 0.00 -ATOM 3846 H2 H2O C1282 31.238 56.174 55.565 0.00 0.00 -ATOM 3847 O1 H2O C1283 51.254 13.531 18.362 0.00 0.00 -ATOM 3848 H1 H2O C1283 51.328 14.305 18.991 0.00 0.00 -ATOM 3849 H2 H2O C1283 51.448 12.682 18.854 0.00 0.00 -ATOM 3850 O1 H2O C1284 3.707 57.057 8.277 0.00 0.00 -ATOM 3851 H1 H2O C1284 3.880 56.582 9.139 0.00 0.00 -ATOM 3852 H2 H2O C1284 4.576 57.248 7.821 0.00 0.00 -ATOM 3853 O1 H2O C1285 56.970 27.115 12.482 0.00 0.00 -ATOM 3854 H1 H2O C1285 56.492 27.861 12.019 0.00 0.00 -ATOM 3855 H2 H2O C1285 57.630 27.494 13.131 0.00 0.00 -ATOM 3856 O1 H2O C1286 26.098 40.011 42.698 0.00 0.00 -ATOM 3857 H1 H2O C1286 26.766 39.343 43.028 0.00 0.00 -ATOM 3858 H2 H2O C1286 25.304 39.530 42.325 0.00 0.00 -ATOM 3859 O1 H2O C1287 55.587 19.733 29.122 0.00 0.00 -ATOM 3860 H1 H2O C1287 55.414 20.012 30.066 0.00 0.00 -ATOM 3861 H2 H2O C1287 54.955 20.210 28.511 0.00 0.00 -ATOM 3862 O1 H2O C1288 8.086 45.442 11.095 0.00 0.00 -ATOM 3863 H1 H2O C1288 8.449 46.211 10.569 0.00 0.00 -ATOM 3864 H2 H2O C1288 8.101 44.616 10.532 0.00 0.00 -ATOM 3865 O1 H2O C1289 5.285 56.402 7.394 0.00 0.00 -ATOM 3866 H1 H2O C1289 4.645 56.210 8.139 0.00 0.00 -ATOM 3867 H2 H2O C1289 6.095 55.825 7.494 0.00 0.00 -ATOM 3868 O1 H2O C1290 46.688 52.856 35.132 0.00 0.00 -ATOM 3869 H1 H2O C1290 46.061 52.758 34.359 0.00 0.00 -ATOM 3870 H2 H2O C1290 46.724 53.814 35.413 0.00 0.00 -ATOM 3871 O1 H2O C1291 8.244 11.064 37.486 0.00 0.00 -ATOM 3872 H1 H2O C1291 8.872 11.507 38.125 0.00 0.00 -ATOM 3873 H2 H2O C1291 7.503 11.694 37.255 0.00 0.00 -ATOM 3874 O1 H2O C1292 29.612 41.284 33.387 0.00 0.00 -ATOM 3875 H1 H2O C1292 30.093 41.931 32.794 0.00 0.00 -ATOM 3876 H2 H2O C1292 29.174 41.782 34.136 0.00 0.00 -ATOM 3877 O1 H2O C1293 32.618 20.899 30.277 0.00 0.00 -ATOM 3878 H1 H2O C1293 31.748 21.126 30.717 0.00 0.00 -ATOM 3879 H2 H2O C1293 32.921 19.997 30.586 0.00 0.00 -ATOM 3880 O1 H2O C1294 4.251 25.564 8.031 0.00 0.00 -ATOM 3881 H1 H2O C1294 5.087 25.072 7.783 0.00 0.00 -ATOM 3882 H2 H2O C1294 3.841 25.957 7.208 0.00 0.00 -ATOM 3883 O1 H2O C1295 19.636 36.430 42.069 0.00 0.00 -ATOM 3884 H1 H2O C1295 19.956 35.655 41.526 0.00 0.00 -ATOM 3885 H2 H2O C1295 18.836 36.155 42.603 0.00 0.00 -ATOM 3886 O1 H2O C1296 46.086 1.593 44.102 0.00 0.00 -ATOM 3887 H1 H2O C1296 45.152 1.356 43.829 0.00 0.00 -ATOM 3888 H2 H2O C1296 46.681 0.799 43.977 0.00 0.00 -ATOM 3889 O1 H2O C1297 22.348 16.123 58.800 0.00 0.00 -ATOM 3890 H1 H2O C1297 22.897 15.995 59.626 0.00 0.00 -ATOM 3891 H2 H2O C1297 21.671 16.842 58.958 0.00 0.00 -ATOM 3892 O1 H2O C1298 8.023 17.172 37.384 0.00 0.00 -ATOM 3893 H1 H2O C1298 7.474 17.948 37.696 0.00 0.00 -ATOM 3894 H2 H2O C1298 8.806 17.051 37.994 0.00 0.00 -ATOM 3895 O1 H2O C1299 28.370 9.304 43.818 0.00 0.00 -ATOM 3896 H1 H2O C1299 29.365 9.210 43.845 0.00 0.00 -ATOM 3897 H2 H2O C1299 27.947 8.447 44.115 0.00 0.00 -ATOM 3898 O1 H2O C1300 10.916 8.729 55.852 0.00 0.00 -ATOM 3899 H1 H2O C1300 11.220 8.960 56.777 0.00 0.00 -ATOM 3900 H2 H2O C1300 9.916 8.713 55.826 0.00 0.00 -ATOM 3901 O1 H2O C1301 23.194 49.377 14.654 0.00 0.00 -ATOM 3902 H1 H2O C1301 23.041 48.895 15.517 0.00 0.00 -ATOM 3903 H2 H2O C1301 23.230 50.362 14.825 0.00 0.00 -ATOM 3904 O1 H2O C1302 47.899 33.912 52.075 0.00 0.00 -ATOM 3905 H1 H2O C1302 47.717 34.797 51.646 0.00 0.00 -ATOM 3906 H2 H2O C1302 48.753 33.963 52.594 0.00 0.00 -ATOM 3907 O1 H2O C1303 36.006 44.754 24.992 0.00 0.00 -ATOM 3908 H1 H2O C1303 36.687 44.816 25.722 0.00 0.00 -ATOM 3909 H2 H2O C1303 36.370 45.175 24.161 0.00 0.00 -ATOM 3910 O1 H2O C1304 41.350 29.513 13.775 0.00 0.00 -ATOM 3911 H1 H2O C1304 42.207 29.978 13.549 0.00 0.00 -ATOM 3912 H2 H2O C1304 41.265 29.436 14.769 0.00 0.00 -ATOM 3913 O1 H2O C1305 56.242 53.304 50.491 0.00 0.00 -ATOM 3914 H1 H2O C1305 56.665 52.405 50.600 0.00 0.00 -ATOM 3915 H2 H2O C1305 56.194 53.534 49.519 0.00 0.00 -ATOM 3916 O1 H2O C1306 3.022 21.790 37.870 0.00 0.00 -ATOM 3917 H1 H2O C1306 3.347 22.280 37.060 0.00 0.00 -ATOM 3918 H2 H2O C1306 2.957 22.425 38.640 0.00 0.00 -ATOM 3919 O1 H2O C1307 7.422 18.438 41.409 0.00 0.00 -ATOM 3920 H1 H2O C1307 8.050 17.727 41.727 0.00 0.00 -ATOM 3921 H2 H2O C1307 7.606 18.641 40.448 0.00 0.00 -ATOM 3922 O1 H2O C1308 50.797 16.334 40.830 0.00 0.00 -ATOM 3923 H1 H2O C1308 51.730 16.565 41.106 0.00 0.00 -ATOM 3924 H2 H2O C1308 50.492 16.969 40.120 0.00 0.00 -ATOM 3925 O1 H2O C1309 32.792 49.680 36.023 0.00 0.00 -ATOM 3926 H1 H2O C1309 33.507 50.329 35.761 0.00 0.00 -ATOM 3927 H2 H2O C1309 33.153 49.044 36.705 0.00 0.00 -ATOM 3928 O1 H2O C1310 37.334 4.093 24.094 0.00 0.00 -ATOM 3929 H1 H2O C1310 37.011 3.491 23.364 0.00 0.00 -ATOM 3930 H2 H2O C1310 36.814 4.947 24.077 0.00 0.00 -ATOM 3931 O1 H2O C1311 56.901 52.646 7.195 0.00 0.00 -ATOM 3932 H1 H2O C1311 56.949 51.701 7.522 0.00 0.00 -ATOM 3933 H2 H2O C1311 57.687 53.158 7.543 0.00 0.00 -ATOM 3934 O1 H2O C1312 48.696 36.199 31.700 0.00 0.00 -ATOM 3935 H1 H2O C1312 49.567 35.868 32.062 0.00 0.00 -ATOM 3936 H2 H2O C1312 48.585 37.166 31.929 0.00 0.00 -ATOM 3937 O1 H2O C1313 46.934 32.504 15.971 0.00 0.00 -ATOM 3938 H1 H2O C1313 46.950 32.487 16.971 0.00 0.00 -ATOM 3939 H2 H2O C1313 46.735 33.432 15.657 0.00 0.00 -ATOM 3940 O1 H2O C1314 14.284 25.727 40.621 0.00 0.00 -ATOM 3941 H1 H2O C1314 14.856 26.127 39.904 0.00 0.00 -ATOM 3942 H2 H2O C1314 13.383 26.159 40.607 0.00 0.00 -ATOM 3943 O1 H2O C1315 25.039 9.172 54.793 0.00 0.00 -ATOM 3944 H1 H2O C1315 25.873 8.625 54.870 0.00 0.00 -ATOM 3945 H2 H2O C1315 24.309 8.743 55.325 0.00 0.00 -ATOM 3946 O1 H2O C1316 46.255 22.835 47.565 0.00 0.00 -ATOM 3947 H1 H2O C1316 45.483 23.222 48.069 0.00 0.00 -ATOM 3948 H2 H2O C1316 46.071 22.888 46.583 0.00 0.00 -ATOM 3949 O1 H2O C1317 28.786 8.356 49.280 0.00 0.00 -ATOM 3950 H1 H2O C1317 27.817 8.107 49.298 0.00 0.00 -ATOM 3951 H2 H2O C1317 28.999 8.802 48.410 0.00 0.00 -ATOM 3952 O1 H2O C1318 14.001 60.156 47.722 0.00 0.00 -ATOM 3953 H1 H2O C1318 13.830 59.211 48.002 0.00 0.00 -ATOM 3954 H2 H2O C1318 14.923 60.228 47.341 0.00 0.00 -ATOM 3955 O1 H2O C1319 32.809 5.313 35.871 0.00 0.00 -ATOM 3956 H1 H2O C1319 32.723 6.307 35.804 0.00 0.00 -ATOM 3957 H2 H2O C1319 32.195 4.972 36.584 0.00 0.00 -ATOM 3958 O1 H2O C1320 42.289 1.401 29.876 0.00 0.00 -ATOM 3959 H1 H2O C1320 42.978 0.718 29.634 0.00 0.00 -ATOM 3960 H2 H2O C1320 42.518 1.808 30.760 0.00 0.00 -ATOM 3961 O1 H2O C1321 46.715 7.633 3.825 0.00 0.00 -ATOM 3962 H1 H2O C1321 47.592 8.015 3.531 0.00 0.00 -ATOM 3963 H2 H2O C1321 46.463 8.023 4.712 0.00 0.00 -ATOM 3964 O1 H2O C1322 43.355 58.287 48.764 0.00 0.00 -ATOM 3965 H1 H2O C1322 43.779 57.914 47.939 0.00 0.00 -ATOM 3966 H2 H2O C1322 43.209 57.552 49.426 0.00 0.00 -ATOM 3967 O1 H2O C1323 58.846 57.316 32.165 0.00 0.00 -ATOM 3968 H1 H2O C1323 58.407 56.476 32.482 0.00 0.00 -ATOM 3969 H2 H2O C1323 58.192 58.071 32.207 0.00 0.00 -ATOM 3970 O1 H2O C1324 54.681 21.060 52.955 0.00 0.00 -ATOM 3971 H1 H2O C1324 54.491 21.867 53.516 0.00 0.00 -ATOM 3972 H2 H2O C1324 54.160 21.116 52.104 0.00 0.00 -ATOM 3973 O1 H2O C1325 13.296 14.899 45.553 0.00 0.00 -ATOM 3974 H1 H2O C1325 13.856 15.345 44.855 0.00 0.00 -ATOM 3975 H2 H2O C1325 12.424 15.380 45.638 0.00 0.00 -ATOM 3976 O1 H2O C1326 57.783 29.519 9.040 0.00 0.00 -ATOM 3977 H1 H2O C1326 57.223 28.692 8.996 0.00 0.00 -ATOM 3978 H2 H2O C1326 58.308 29.611 8.193 0.00 0.00 -ATOM 3979 O1 H2O C1327 56.259 43.984 0.481 0.00 0.00 -ATOM 3980 H1 H2O C1327 56.448 43.049 0.183 0.00 0.00 -ATOM 3981 H2 H2O C1327 55.288 44.184 0.355 0.00 0.00 -ATOM 3982 O1 H2O C1328 11.932 26.600 30.786 0.00 0.00 -ATOM 3983 H1 H2O C1328 11.661 27.248 31.500 0.00 0.00 -ATOM 3984 H2 H2O C1328 11.351 25.787 30.837 0.00 0.00 -ATOM 3985 O1 H2O C1329 20.521 56.025 3.412 0.00 0.00 -ATOM 3986 H1 H2O C1329 20.344 56.968 3.695 0.00 0.00 -ATOM 3987 H2 H2O C1329 20.156 55.878 2.493 0.00 0.00 -ATOM 3988 O1 H2O C1330 25.210 9.274 8.722 0.00 0.00 -ATOM 3989 H1 H2O C1330 24.242 9.291 8.472 0.00 0.00 -ATOM 3990 H2 H2O C1330 25.568 8.347 8.608 0.00 0.00 -ATOM 3991 O1 H2O C1331 29.324 45.080 47.811 0.00 0.00 -ATOM 3992 H1 H2O C1331 30.268 45.114 47.482 0.00 0.00 -ATOM 3993 H2 H2O C1331 28.730 45.563 47.166 0.00 0.00 -ATOM 3994 O1 H2O C1332 50.985 24.676 43.124 0.00 0.00 -ATOM 3995 H1 H2O C1332 50.723 23.710 43.115 0.00 0.00 -ATOM 3996 H2 H2O C1332 50.882 25.057 42.205 0.00 0.00 -ATOM 3997 O1 H2O C1333 2.940 6.612 2.410 0.00 0.00 -ATOM 3998 H1 H2O C1333 2.119 6.917 2.895 0.00 0.00 -ATOM 3999 H2 H2O C1333 3.713 7.192 2.668 0.00 0.00 -ATOM 4000 O1 H2O C1334 37.840 27.376 15.566 0.00 0.00 -ATOM 4001 H1 H2O C1334 38.556 28.073 15.591 0.00 0.00 -ATOM 4002 H2 H2O C1334 36.963 27.790 15.811 0.00 0.00 -ATOM 4003 O1 H2O C1335 28.177 54.060 17.515 0.00 0.00 -ATOM 4004 H1 H2O C1335 27.361 53.782 17.009 0.00 0.00 -ATOM 4005 H2 H2O C1335 28.306 55.048 17.423 0.00 0.00 -ATOM 4006 O1 H2O C1336 2.882 50.920 45.449 0.00 0.00 -ATOM 4007 H1 H2O C1336 2.332 51.722 45.682 0.00 0.00 -ATOM 4008 H2 H2O C1336 3.850 51.169 45.448 0.00 0.00 -ATOM 4009 O1 H2O C1337 24.089 32.864 18.559 0.00 0.00 -ATOM 4010 H1 H2O C1337 23.199 32.491 18.296 0.00 0.00 -ATOM 4011 H2 H2O C1337 24.746 32.117 18.662 0.00 0.00 -ATOM 4012 O1 H2O C1338 53.573 33.353 52.260 0.00 0.00 -ATOM 4013 H1 H2O C1338 54.140 32.661 51.813 0.00 0.00 -ATOM 4014 H2 H2O C1338 53.858 34.263 51.959 0.00 0.00 -ATOM 4015 O1 H2O C1339 4.768 24.921 24.066 0.00 0.00 -ATOM 4016 H1 H2O C1339 5.243 24.812 23.193 0.00 0.00 -ATOM 4017 H2 H2O C1339 3.812 24.648 23.962 0.00 0.00 -ATOM 4018 O1 H2O C1340 24.538 15.602 44.086 0.00 0.00 -ATOM 4019 H1 H2O C1340 25.320 15.852 43.514 0.00 0.00 -ATOM 4020 H2 H2O C1340 23.983 14.919 43.611 0.00 0.00 -ATOM 4021 O1 H2O C1341 26.261 42.931 2.617 0.00 0.00 -ATOM 4022 H1 H2O C1341 25.739 42.248 3.127 0.00 0.00 -ATOM 4023 H2 H2O C1341 26.952 43.337 3.215 0.00 0.00 -ATOM 4024 O1 H2O C1342 56.562 14.040 47.191 0.00 0.00 -ATOM 4025 H1 H2O C1342 57.238 13.556 46.635 0.00 0.00 -ATOM 4026 H2 H2O C1342 57.005 14.406 48.010 0.00 0.00 -ATOM 4027 O1 H2O C1343 18.474 6.781 38.584 0.00 0.00 -ATOM 4028 H1 H2O C1343 18.711 6.111 37.880 0.00 0.00 -ATOM 4029 H2 H2O C1343 19.251 7.393 38.736 0.00 0.00 -ATOM 4030 O1 H2O C1344 4.031 11.788 58.814 0.00 0.00 -ATOM 4031 H1 H2O C1344 3.136 11.618 58.400 0.00 0.00 -ATOM 4032 H2 H2O C1344 4.705 11.164 58.417 0.00 0.00 -ATOM 4033 O1 H2O C1345 46.525 20.127 14.381 0.00 0.00 -ATOM 4034 H1 H2O C1345 46.710 19.355 13.773 0.00 0.00 -ATOM 4035 H2 H2O C1345 46.871 20.969 13.967 0.00 0.00 -ATOM 4036 O1 H2O C1346 8.867 37.427 30.228 0.00 0.00 -ATOM 4037 H1 H2O C1346 8.979 36.812 31.008 0.00 0.00 -ATOM 4038 H2 H2O C1346 7.987 37.896 30.296 0.00 0.00 -ATOM 4039 O1 H2O C1347 25.304 3.638 6.243 0.00 0.00 -ATOM 4040 H1 H2O C1347 25.765 3.132 6.971 0.00 0.00 -ATOM 4041 H2 H2O C1347 25.585 3.274 5.354 0.00 0.00 -ATOM 4042 O1 H2O C1348 31.428 49.122 28.131 0.00 0.00 -ATOM 4043 H1 H2O C1348 31.137 49.960 27.669 0.00 0.00 -ATOM 4044 H2 H2O C1348 32.033 49.353 28.892 0.00 0.00 -ATOM 4045 O1 H2O C1349 46.924 18.780 21.689 0.00 0.00 -ATOM 4046 H1 H2O C1349 47.133 19.504 21.031 0.00 0.00 -ATOM 4047 H2 H2O C1349 46.412 19.165 22.456 0.00 0.00 -ATOM 4048 O1 H2O C1350 55.200 54.464 38.651 0.00 0.00 -ATOM 4049 H1 H2O C1350 54.261 54.120 38.648 0.00 0.00 -ATOM 4050 H2 H2O C1350 55.402 54.891 37.769 0.00 0.00 -ATOM 4051 O1 H2O C1351 48.858 39.715 36.823 0.00 0.00 -ATOM 4052 H1 H2O C1351 48.962 40.652 37.157 0.00 0.00 -ATOM 4053 H2 H2O C1351 48.993 39.697 35.833 0.00 0.00 -ATOM 4054 O1 H2O C1352 39.965 12.344 44.505 0.00 0.00 -ATOM 4055 H1 H2O C1352 39.787 13.293 44.242 0.00 0.00 -ATOM 4056 H2 H2O C1352 39.173 11.979 44.993 0.00 0.00 -ATOM 4057 O1 H2O C1353 41.378 13.249 8.005 0.00 0.00 -ATOM 4058 H1 H2O C1353 41.448 12.258 7.892 0.00 0.00 -ATOM 4059 H2 H2O C1353 40.645 13.460 8.652 0.00 0.00 -ATOM 4060 O1 H2O C1354 32.816 59.547 58.437 0.00 0.00 -ATOM 4061 H1 H2O C1354 32.660 60.254 57.748 0.00 0.00 -ATOM 4062 H2 H2O C1354 32.300 59.768 59.265 0.00 0.00 -ATOM 4063 O1 H2O C1355 31.437 23.599 21.204 0.00 0.00 -ATOM 4064 H1 H2O C1355 31.174 24.196 21.963 0.00 0.00 -ATOM 4065 H2 H2O C1355 30.814 22.817 21.166 0.00 0.00 -ATOM 4066 O1 H2O C1356 45.377 21.173 3.841 0.00 0.00 -ATOM 4067 H1 H2O C1356 45.243 20.366 4.417 0.00 0.00 -ATOM 4068 H2 H2O C1356 44.518 21.682 3.776 0.00 0.00 -ATOM 4069 O1 H2O C1357 1.016 13.455 42.644 0.00 0.00 -ATOM 4070 H1 H2O C1357 0.500 12.667 42.980 0.00 0.00 -ATOM 4071 H2 H2O C1357 1.775 13.138 42.075 0.00 0.00 -ATOM 4072 O1 H2O C1358 48.776 56.249 1.067 0.00 0.00 -ATOM 4073 H1 H2O C1358 47.854 56.639 1.065 0.00 0.00 -ATOM 4074 H2 H2O C1358 49.160 56.300 0.144 0.00 0.00 -ATOM 4075 O1 H2O C1359 52.136 21.269 20.611 0.00 0.00 -ATOM 4076 H1 H2O C1359 52.445 22.220 20.612 0.00 0.00 -ATOM 4077 H2 H2O C1359 52.724 20.727 21.212 0.00 0.00 -ATOM 4078 O1 H2O C1360 41.102 56.918 37.370 0.00 0.00 -ATOM 4079 H1 H2O C1360 40.799 56.960 36.418 0.00 0.00 -ATOM 4080 H2 H2O C1360 41.155 55.963 37.662 0.00 0.00 -ATOM 4081 O1 H2O C1361 3.895 32.079 32.999 0.00 0.00 -ATOM 4082 H1 H2O C1361 3.459 32.957 33.199 0.00 0.00 -ATOM 4083 H2 H2O C1361 3.191 31.390 32.825 0.00 0.00 -ATOM 4084 O1 H2O C1362 42.167 32.591 59.807 0.00 0.00 -ATOM 4085 H1 H2O C1362 43.103 32.936 59.880 0.00 0.00 -ATOM 4086 H2 H2O C1362 41.524 33.322 60.032 0.00 0.00 -ATOM 4087 O1 H2O C1363 53.677 55.158 45.585 0.00 0.00 -ATOM 4088 H1 H2O C1363 54.367 54.586 46.030 0.00 0.00 -ATOM 4089 H2 H2O C1363 52.831 55.134 46.117 0.00 0.00 -ATOM 4090 O1 H2O C1364 41.946 48.919 4.303 0.00 0.00 -ATOM 4091 H1 H2O C1364 42.799 48.440 4.094 0.00 0.00 -ATOM 4092 H2 H2O C1364 41.171 48.314 4.122 0.00 0.00 -ATOM 4093 O1 H2O C1365 36.044 29.899 58.915 0.00 0.00 -ATOM 4094 H1 H2O C1365 36.750 29.305 59.301 0.00 0.00 -ATOM 4095 H2 H2O C1365 35.633 29.454 58.120 0.00 0.00 -ATOM 4096 O1 H2O C1366 59.858 54.593 29.802 0.00 0.00 -ATOM 4097 H1 H2O C1366 59.264 53.968 29.296 0.00 0.00 -ATOM 4098 H2 H2O C1366 59.821 54.370 30.777 0.00 0.00 -ATOM 4099 O1 H2O C1367 36.360 54.272 28.965 0.00 0.00 -ATOM 4100 H1 H2O C1367 36.554 55.244 28.828 0.00 0.00 -ATOM 4101 H2 H2O C1367 35.372 54.138 29.044 0.00 0.00 -ATOM 4102 O1 H2O C1368 3.927 20.201 30.384 0.00 0.00 -ATOM 4103 H1 H2O C1368 4.295 19.756 31.201 0.00 0.00 -ATOM 4104 H2 H2O C1368 3.474 19.521 29.809 0.00 0.00 -ATOM 4105 O1 H2O C1369 -0.058 45.708 29.102 0.00 0.00 -ATOM 4106 H1 H2O C1369 -0.078 44.777 28.738 0.00 0.00 -ATOM 4107 H2 H2O C1369 0.855 45.907 29.459 0.00 0.00 -ATOM 4108 O1 H2O C1370 36.283 17.855 37.440 0.00 0.00 -ATOM 4109 H1 H2O C1370 36.020 18.693 36.961 0.00 0.00 -ATOM 4110 H2 H2O C1370 37.173 17.987 37.878 0.00 0.00 -ATOM 4111 O1 H2O C1371 35.562 47.319 1.923 0.00 0.00 -ATOM 4112 H1 H2O C1371 36.517 47.052 2.050 0.00 0.00 -ATOM 4113 H2 H2O C1371 35.434 48.259 2.238 0.00 0.00 -ATOM 4114 O1 H2O C1372 33.731 26.431 12.141 0.00 0.00 -ATOM 4115 H1 H2O C1372 32.778 26.188 11.961 0.00 0.00 -ATOM 4116 H2 H2O C1372 33.897 27.372 11.847 0.00 0.00 -ATOM 4117 O1 H2O C1373 43.542 57.700 13.602 0.00 0.00 -ATOM 4118 H1 H2O C1373 43.218 58.266 12.844 0.00 0.00 -ATOM 4119 H2 H2O C1373 44.482 57.410 13.422 0.00 0.00 -ATOM 4120 O1 H2O C1374 10.658 22.256 15.926 0.00 0.00 -ATOM 4121 H1 H2O C1374 9.680 22.056 15.977 0.00 0.00 -ATOM 4122 H2 H2O C1374 10.798 23.110 15.426 0.00 0.00 -ATOM 4123 O1 H2O C1375 4.154 22.739 24.356 0.00 0.00 -ATOM 4124 H1 H2O C1375 5.044 23.142 24.143 0.00 0.00 -ATOM 4125 H2 H2O C1375 4.249 21.748 24.441 0.00 0.00 -ATOM 4126 O1 H2O C1376 29.645 46.720 41.768 0.00 0.00 -ATOM 4127 H1 H2O C1376 30.387 47.231 41.335 0.00 0.00 -ATOM 4128 H2 H2O C1376 29.171 47.311 42.421 0.00 0.00 -ATOM 4129 O1 H2O C1377 20.459 7.659 37.566 0.00 0.00 -ATOM 4130 H1 H2O C1377 21.150 7.187 37.018 0.00 0.00 -ATOM 4131 H2 H2O C1377 19.851 6.986 37.987 0.00 0.00 -ATOM 4132 O1 H2O C1378 44.420 14.088 1.311 0.00 0.00 -ATOM 4133 H1 H2O C1378 43.517 14.521 1.323 0.00 0.00 -ATOM 4134 H2 H2O C1378 44.657 13.790 2.236 0.00 0.00 -ATOM 4135 O1 H2O C1379 39.364 40.199 47.257 0.00 0.00 -ATOM 4136 H1 H2O C1379 38.651 39.971 47.920 0.00 0.00 -ATOM 4137 H2 H2O C1379 38.955 40.672 46.476 0.00 0.00 -ATOM 4138 O1 H2O C1380 19.334 10.888 38.476 0.00 0.00 -ATOM 4139 H1 H2O C1380 19.618 10.414 39.310 0.00 0.00 -ATOM 4140 H2 H2O C1380 18.359 10.732 38.320 0.00 0.00 -ATOM 4141 O1 H2O C1381 27.698 6.545 40.913 0.00 0.00 -ATOM 4142 H1 H2O C1381 27.440 5.629 40.606 0.00 0.00 -ATOM 4143 H2 H2O C1381 28.669 6.697 40.730 0.00 0.00 -ATOM 4144 O1 H2O C1382 8.904 35.631 23.671 0.00 0.00 -ATOM 4145 H1 H2O C1382 8.565 36.207 22.928 0.00 0.00 -ATOM 4146 H2 H2O C1382 8.133 35.300 24.215 0.00 0.00 -ATOM 4147 O1 H2O C1383 24.322 53.595 12.074 0.00 0.00 -ATOM 4148 H1 H2O C1383 24.467 53.954 11.151 0.00 0.00 -ATOM 4149 H2 H2O C1383 23.356 53.691 12.319 0.00 0.00 -ATOM 4150 O1 H2O C1384 23.759 53.856 18.558 0.00 0.00 -ATOM 4151 H1 H2O C1384 23.718 54.059 19.537 0.00 0.00 -ATOM 4152 H2 H2O C1384 22.844 53.623 18.228 0.00 0.00 -ATOM 4153 O1 H2O C1385 35.609 27.370 54.531 0.00 0.00 -ATOM 4154 H1 H2O C1385 34.847 26.800 54.839 0.00 0.00 -ATOM 4155 H2 H2O C1385 35.397 27.753 53.632 0.00 0.00 -ATOM 4156 O1 H2O C1386 22.782 40.800 31.636 0.00 0.00 -ATOM 4157 H1 H2O C1386 22.024 40.644 31.002 0.00 0.00 -ATOM 4158 H2 H2O C1386 23.080 39.927 32.020 0.00 0.00 -ATOM 4159 O1 H2O C1387 50.706 35.635 19.758 0.00 0.00 -ATOM 4160 H1 H2O C1387 51.040 34.731 20.024 0.00 0.00 -ATOM 4161 H2 H2O C1387 51.339 36.044 19.100 0.00 0.00 -ATOM 4162 O1 H2O C1388 24.685 23.621 49.454 0.00 0.00 -ATOM 4163 H1 H2O C1388 23.756 23.385 49.166 0.00 0.00 -ATOM 4164 H2 H2O C1388 25.174 24.040 48.689 0.00 0.00 -ATOM 4165 O1 H2O C1389 32.189 3.865 5.923 0.00 0.00 -ATOM 4166 H1 H2O C1389 31.267 4.040 6.266 0.00 0.00 -ATOM 4167 H2 H2O C1389 32.151 3.688 4.940 0.00 0.00 -ATOM 4168 O1 H2O C1390 46.033 36.897 51.465 0.00 0.00 -ATOM 4169 H1 H2O C1390 46.255 37.319 50.585 0.00 0.00 -ATOM 4170 H2 H2O C1390 45.306 37.419 51.910 0.00 0.00 -ATOM 4171 O1 H2O C1391 27.306 6.049 38.149 0.00 0.00 -ATOM 4172 H1 H2O C1391 27.803 5.426 38.754 0.00 0.00 -ATOM 4173 H2 H2O C1391 27.693 6.968 38.228 0.00 0.00 -ATOM 4174 O1 H2O C1392 36.250 50.339 17.306 0.00 0.00 -ATOM 4175 H1 H2O C1392 36.339 51.291 17.014 0.00 0.00 -ATOM 4176 H2 H2O C1392 36.682 50.223 18.200 0.00 0.00 -ATOM 4177 O1 H2O C1393 41.348 23.265 13.341 0.00 0.00 -ATOM 4178 H1 H2O C1393 41.049 22.412 12.913 0.00 0.00 -ATOM 4179 H2 H2O C1393 42.304 23.439 13.106 0.00 0.00 -ATOM 4180 O1 H2O C1394 45.186 27.500 24.084 0.00 0.00 -ATOM 4181 H1 H2O C1394 45.125 28.357 24.596 0.00 0.00 -ATOM 4182 H2 H2O C1394 45.043 27.683 23.111 0.00 0.00 -ATOM 4183 O1 H2O C1395 14.106 0.621 54.266 0.00 0.00 -ATOM 4184 H1 H2O C1395 13.322 0.031 54.077 0.00 0.00 -ATOM 4185 H2 H2O C1395 13.915 1.546 53.936 0.00 0.00 -ATOM 4186 O1 H2O C1396 45.804 26.854 56.225 0.00 0.00 -ATOM 4187 H1 H2O C1396 46.460 27.562 55.964 0.00 0.00 -ATOM 4188 H2 H2O C1396 45.044 26.849 55.576 0.00 0.00 -ATOM 4189 O1 H2O C1397 20.630 18.780 30.617 0.00 0.00 -ATOM 4190 H1 H2O C1397 21.077 18.758 29.723 0.00 0.00 -ATOM 4191 H2 H2O C1397 20.082 19.613 30.696 0.00 0.00 -ATOM 4192 O1 H2O C1398 42.399 56.145 8.336 0.00 0.00 -ATOM 4193 H1 H2O C1398 42.310 56.091 7.341 0.00 0.00 -ATOM 4194 H2 H2O C1398 42.644 55.246 8.698 0.00 0.00 -ATOM 4195 O1 H2O C1399 0.243 35.386 21.120 0.00 0.00 -ATOM 4196 H1 H2O C1399 0.215 35.928 20.280 0.00 0.00 -ATOM 4197 H2 H2O C1399 0.375 35.992 21.904 0.00 0.00 -ATOM 4198 O1 H2O C1400 35.594 38.028 8.921 0.00 0.00 -ATOM 4199 H1 H2O C1400 36.542 38.336 8.844 0.00 0.00 -ATOM 4200 H2 H2O C1400 35.206 38.356 9.783 0.00 0.00 -ATOM 4201 O1 H2O C1401 46.667 31.265 43.199 0.00 0.00 -ATOM 4202 H1 H2O C1401 45.882 31.685 43.655 0.00 0.00 -ATOM 4203 H2 H2O C1401 47.370 31.050 43.877 0.00 0.00 -ATOM 4204 O1 H2O C1402 21.729 15.362 52.937 0.00 0.00 -ATOM 4205 H1 H2O C1402 21.124 15.291 52.144 0.00 0.00 -ATOM 4206 H2 H2O C1402 21.304 15.945 53.630 0.00 0.00 -ATOM 4207 O1 H2O C1403 17.415 15.762 41.706 0.00 0.00 -ATOM 4208 H1 H2O C1403 18.406 15.796 41.574 0.00 0.00 -ATOM 4209 H2 H2O C1403 17.192 16.057 42.635 0.00 0.00 -ATOM 4210 O1 H2O C1404 12.899 55.826 34.589 0.00 0.00 -ATOM 4211 H1 H2O C1404 13.194 56.518 35.249 0.00 0.00 -ATOM 4212 H2 H2O C1404 12.500 56.276 33.790 0.00 0.00 -ATOM 4213 O1 H2O C1405 12.655 42.933 12.648 0.00 0.00 -ATOM 4214 H1 H2O C1405 12.800 43.267 11.716 0.00 0.00 -ATOM 4215 H2 H2O C1405 13.456 43.149 13.207 0.00 0.00 -ATOM 4216 O1 H2O C1406 16.767 19.346 43.783 0.00 0.00 -ATOM 4217 H1 H2O C1406 17.577 19.933 43.776 0.00 0.00 -ATOM 4218 H2 H2O C1406 16.526 19.102 42.843 0.00 0.00 -ATOM 4219 O1 H2O C1407 17.743 18.730 51.213 0.00 0.00 -ATOM 4220 H1 H2O C1407 17.837 17.780 50.914 0.00 0.00 -ATOM 4221 H2 H2O C1407 17.733 19.331 50.415 0.00 0.00 -ATOM 4222 O1 H2O C1408 10.207 14.436 29.649 0.00 0.00 -ATOM 4223 H1 H2O C1408 10.232 14.915 30.528 0.00 0.00 -ATOM 4224 H2 H2O C1408 10.644 13.541 29.747 0.00 0.00 -ATOM 4225 O1 H2O C1409 9.963 13.468 55.150 0.00 0.00 -ATOM 4226 H1 H2O C1409 10.067 12.498 54.929 0.00 0.00 -ATOM 4227 H2 H2O C1409 10.368 13.651 56.046 0.00 0.00 -ATOM 4228 O1 H2O C1410 23.486 26.506 48.838 0.00 0.00 -ATOM 4229 H1 H2O C1410 23.401 26.162 47.902 0.00 0.00 -ATOM 4230 H2 H2O C1410 24.416 26.340 49.169 0.00 0.00 -ATOM 4231 O1 H2O C1411 19.087 40.631 22.824 0.00 0.00 -ATOM 4232 H1 H2O C1411 19.409 40.314 21.932 0.00 0.00 -ATOM 4233 H2 H2O C1411 18.160 40.293 22.983 0.00 0.00 -ATOM 4234 O1 H2O C1412 23.943 33.256 52.768 0.00 0.00 -ATOM 4235 H1 H2O C1412 24.426 32.538 53.269 0.00 0.00 -ATOM 4236 H2 H2O C1412 23.360 32.840 52.070 0.00 0.00 -ATOM 4237 O1 H2O C1413 45.029 22.199 49.017 0.00 0.00 -ATOM 4238 H1 H2O C1413 45.312 21.297 49.342 0.00 0.00 -ATOM 4239 H2 H2O C1413 44.179 22.465 49.471 0.00 0.00 -ATOM 4240 O1 H2O C1414 24.280 4.420 9.475 0.00 0.00 -ATOM 4241 H1 H2O C1414 23.290 4.506 9.360 0.00 0.00 -ATOM 4242 H2 H2O C1414 24.674 5.322 9.650 0.00 0.00 -ATOM 4243 O1 H2O C1415 48.167 47.013 24.412 0.00 0.00 -ATOM 4244 H1 H2O C1415 47.362 46.423 24.365 0.00 0.00 -ATOM 4245 H2 H2O C1415 47.918 47.884 24.837 0.00 0.00 -ATOM 4246 O1 H2O C1416 10.758 4.222 34.393 0.00 0.00 -ATOM 4247 H1 H2O C1416 10.891 3.978 33.431 0.00 0.00 -ATOM 4248 H2 H2O C1416 10.064 4.939 34.461 0.00 0.00 -ATOM 4249 O1 H2O C1417 56.052 20.481 6.457 0.00 0.00 -ATOM 4250 H1 H2O C1417 56.223 20.672 7.424 0.00 0.00 -ATOM 4251 H2 H2O C1417 56.249 19.519 6.268 0.00 0.00 -ATOM 4252 O1 H2O C1418 33.059 45.760 56.617 0.00 0.00 -ATOM 4253 H1 H2O C1418 32.104 45.598 56.865 0.00 0.00 -ATOM 4254 H2 H2O C1418 33.452 44.923 56.236 0.00 0.00 -ATOM 4255 O1 H2O C1419 16.465 24.386 -0.087 0.00 0.00 -ATOM 4256 H1 H2O C1419 16.515 24.197 0.894 0.00 0.00 -ATOM 4257 H2 H2O C1419 15.726 25.036 -0.264 0.00 0.00 -ATOM 4258 O1 H2O C1420 37.556 4.043 40.405 0.00 0.00 -ATOM 4259 H1 H2O C1420 38.300 4.524 40.870 0.00 0.00 -ATOM 4260 H2 H2O C1420 37.939 3.404 39.738 0.00 0.00 -ATOM 4261 O1 H2O C1421 51.748 47.390 3.347 0.00 0.00 -ATOM 4262 H1 H2O C1421 51.930 48.368 3.253 0.00 0.00 -ATOM 4263 H2 H2O C1421 52.580 46.875 3.143 0.00 0.00 -ATOM 4264 O1 H2O C1422 0.515 39.002 18.875 0.00 0.00 -ATOM 4265 H1 H2O C1422 0.276 38.167 18.379 0.00 0.00 -ATOM 4266 H2 H2O C1422 0.627 39.754 18.226 0.00 0.00 -ATOM 4267 O1 H2O C1423 53.374 59.186 0.827 0.00 0.00 -ATOM 4268 H1 H2O C1423 52.470 59.568 1.018 0.00 0.00 -ATOM 4269 H2 H2O C1423 53.288 58.210 0.627 0.00 0.00 -ATOM 4270 O1 H2O C1424 52.470 20.959 55.313 0.00 0.00 -ATOM 4271 H1 H2O C1424 51.495 20.914 55.528 0.00 0.00 -ATOM 4272 H2 H2O C1424 52.840 20.032 55.248 0.00 0.00 -ATOM 4273 O1 H2O C1425 5.998 38.224 25.437 0.00 0.00 -ATOM 4274 H1 H2O C1425 5.988 39.143 25.831 0.00 0.00 -ATOM 4275 H2 H2O C1425 5.061 37.936 25.240 0.00 0.00 -ATOM 4276 O1 H2O C1426 60.137 33.585 6.915 0.00 0.00 -ATOM 4277 H1 H2O C1426 59.520 33.945 7.615 0.00 0.00 -ATOM 4278 H2 H2O C1426 59.840 32.668 6.649 0.00 0.00 -ATOM 4279 O1 H2O C1427 33.090 37.397 55.128 0.00 0.00 -ATOM 4280 H1 H2O C1427 33.990 36.976 55.249 0.00 0.00 -ATOM 4281 H2 H2O C1427 32.560 37.296 55.971 0.00 0.00 -ATOM 4282 O1 H2O C1428 56.555 31.009 15.895 0.00 0.00 -ATOM 4283 H1 H2O C1428 56.156 31.922 15.992 0.00 0.00 -ATOM 4284 H2 H2O C1428 56.507 30.727 14.936 0.00 0.00 -ATOM 4285 O1 H2O C1429 27.352 43.388 49.155 0.00 0.00 -ATOM 4286 H1 H2O C1429 27.375 44.353 48.893 0.00 0.00 -ATOM 4287 H2 H2O C1429 27.438 42.819 48.337 0.00 0.00 -ATOM 4288 O1 H2O C1430 26.041 38.368 26.896 0.00 0.00 -ATOM 4289 H1 H2O C1430 25.826 37.407 26.720 0.00 0.00 -ATOM 4290 H2 H2O C1430 26.020 38.540 27.880 0.00 0.00 -ATOM 4291 O1 H2O C1431 16.863 17.174 45.916 0.00 0.00 -ATOM 4292 H1 H2O C1431 17.135 16.865 45.005 0.00 0.00 -ATOM 4293 H2 H2O C1431 15.865 17.196 45.977 0.00 0.00 -ATOM 4294 O1 H2O C1432 26.351 36.313 53.044 0.00 0.00 -ATOM 4295 H1 H2O C1432 25.883 37.186 53.180 0.00 0.00 -ATOM 4296 H2 H2O C1432 27.333 36.474 52.942 0.00 0.00 -ATOM 4297 O1 H2O C1433 7.866 43.901 10.843 0.00 0.00 -ATOM 4298 H1 H2O C1433 7.303 44.708 11.025 0.00 0.00 -ATOM 4299 H2 H2O C1433 8.184 43.924 9.895 0.00 0.00 -ATOM 4300 O1 H2O C1434 17.023 43.306 7.873 0.00 0.00 -ATOM 4301 H1 H2O C1434 16.679 44.071 8.417 0.00 0.00 -ATOM 4302 H2 H2O C1434 16.885 42.452 8.374 0.00 0.00 -ATOM 4303 O1 H2O C1435 5.748 20.923 25.000 0.00 0.00 -ATOM 4304 H1 H2O C1435 5.410 20.088 24.566 0.00 0.00 -ATOM 4305 H2 H2O C1435 5.207 21.704 24.687 0.00 0.00 -ATOM 4306 O1 H2O C1436 46.531 31.490 27.329 0.00 0.00 -ATOM 4307 H1 H2O C1436 46.204 32.416 27.140 0.00 0.00 -ATOM 4308 H2 H2O C1436 46.084 31.141 28.153 0.00 0.00 -ATOM 4309 O1 H2O C1437 16.437 28.963 6.459 0.00 0.00 -ATOM 4310 H1 H2O C1437 15.639 29.216 5.911 0.00 0.00 -ATOM 4311 H2 H2O C1437 16.456 27.971 6.582 0.00 0.00 -ATOM 4312 O1 H2O C1438 20.501 3.252 7.244 0.00 0.00 -ATOM 4313 H1 H2O C1438 20.667 3.076 8.214 0.00 0.00 -ATOM 4314 H2 H2O C1438 19.851 2.579 6.890 0.00 0.00 -ATOM 4315 O1 H2O C1439 45.962 49.069 37.794 0.00 0.00 -ATOM 4316 H1 H2O C1439 46.881 49.425 37.619 0.00 0.00 -ATOM 4317 H2 H2O C1439 45.289 49.791 37.628 0.00 0.00 -ATOM 4318 O1 H2O C1440 16.234 29.099 7.508 0.00 0.00 -ATOM 4319 H1 H2O C1440 16.263 29.585 8.381 0.00 0.00 -ATOM 4320 H2 H2O C1440 16.999 29.397 6.936 0.00 0.00 -ATOM 4321 O1 H2O C1441 10.987 7.762 30.139 0.00 0.00 -ATOM 4322 H1 H2O C1441 10.427 7.046 29.722 0.00 0.00 -ATOM 4323 H2 H2O C1441 11.925 7.434 30.243 0.00 0.00 -ATOM 4324 O1 H2O C1442 1.490 31.896 47.875 0.00 0.00 -ATOM 4325 H1 H2O C1442 2.365 31.526 47.561 0.00 0.00 -ATOM 4326 H2 H2O C1442 1.343 31.636 48.830 0.00 0.00 -ATOM 4327 O1 H2O C1443 51.681 31.717 44.756 0.00 0.00 -ATOM 4328 H1 H2O C1443 51.051 31.945 44.013 0.00 0.00 -ATOM 4329 H2 H2O C1443 52.507 31.299 44.375 0.00 0.00 -ATOM 4330 O1 H2O C1444 40.784 54.197 56.000 0.00 0.00 -ATOM 4331 H1 H2O C1444 40.855 55.048 55.479 0.00 0.00 -ATOM 4332 H2 H2O C1444 41.011 54.373 56.958 0.00 0.00 -ATOM 4333 O1 H2O C1445 17.859 20.190 37.469 0.00 0.00 -ATOM 4334 H1 H2O C1445 18.213 19.683 36.682 0.00 0.00 -ATOM 4335 H2 H2O C1445 18.554 20.215 38.188 0.00 0.00 -ATOM 4336 O1 H2O C1446 29.604 46.764 1.043 0.00 0.00 -ATOM 4337 H1 H2O C1446 30.260 46.649 0.297 0.00 0.00 -ATOM 4338 H2 H2O C1446 30.088 46.756 1.917 0.00 0.00 -ATOM 4339 O1 H2O C1447 14.882 54.614 10.547 0.00 0.00 -ATOM 4340 H1 H2O C1447 14.832 54.927 9.599 0.00 0.00 -ATOM 4341 H2 H2O C1447 14.007 54.785 11.001 0.00 0.00 -ATOM 4342 O1 H2O C1448 33.404 13.896 20.822 0.00 0.00 -ATOM 4343 H1 H2O C1448 33.916 14.360 20.100 0.00 0.00 -ATOM 4344 H2 H2O C1448 33.272 14.521 21.592 0.00 0.00 -ATOM 4345 O1 H2O C1449 27.035 4.629 36.609 0.00 0.00 -ATOM 4346 H1 H2O C1449 26.414 4.132 37.215 0.00 0.00 -ATOM 4347 H2 H2O C1449 27.799 4.994 37.143 0.00 0.00 -ATOM 4348 O1 H2O C1450 25.950 5.012 7.675 0.00 0.00 -ATOM 4349 H1 H2O C1450 25.650 5.939 7.448 0.00 0.00 -ATOM 4350 H2 H2O C1450 26.937 5.010 7.833 0.00 0.00 -ATOM 4351 O1 H2O C1451 38.965 19.799 40.481 0.00 0.00 -ATOM 4352 H1 H2O C1451 39.278 20.642 40.920 0.00 0.00 -ATOM 4353 H2 H2O C1451 39.357 19.738 39.562 0.00 0.00 -ATOM 4354 O1 H2O C1452 19.839 50.977 13.327 0.00 0.00 -ATOM 4355 H1 H2O C1452 20.259 51.063 14.231 0.00 0.00 -ATOM 4356 H2 H2O C1452 20.381 50.350 12.767 0.00 0.00 -ATOM 4357 O1 H2O C1453 24.330 38.980 50.959 0.00 0.00 -ATOM 4358 H1 H2O C1453 23.534 38.638 50.460 0.00 0.00 -ATOM 4359 H2 H2O C1453 25.158 38.549 50.602 0.00 0.00 -ATOM 4360 O1 H2O C1454 54.507 11.111 50.433 0.00 0.00 -ATOM 4361 H1 H2O C1454 54.256 11.534 49.562 0.00 0.00 -ATOM 4362 H2 H2O C1454 54.515 10.116 50.331 0.00 0.00 -ATOM 4363 O1 H2O C1455 7.769 45.435 53.334 0.00 0.00 -ATOM 4364 H1 H2O C1455 8.647 45.705 53.730 0.00 0.00 -ATOM 4365 H2 H2O C1455 7.487 44.555 53.716 0.00 0.00 -ATOM 4366 O1 H2O C1456 12.491 45.947 8.154 0.00 0.00 -ATOM 4367 H1 H2O C1456 11.504 45.789 8.148 0.00 0.00 -ATOM 4368 H2 H2O C1456 12.916 45.375 8.856 0.00 0.00 -ATOM 4369 O1 H2O C1457 28.527 3.241 51.226 0.00 0.00 -ATOM 4370 H1 H2O C1457 29.302 2.608 51.220 0.00 0.00 -ATOM 4371 H2 H2O C1457 28.134 3.277 52.145 0.00 0.00 -ATOM 4372 O1 H2O C1458 55.641 54.926 57.918 0.00 0.00 -ATOM 4373 H1 H2O C1458 55.172 55.493 57.241 0.00 0.00 -ATOM 4374 H2 H2O C1458 55.707 55.425 58.782 0.00 0.00 -ATOM 4375 O1 H2O C1459 56.704 48.808 21.095 0.00 0.00 -ATOM 4376 H1 H2O C1459 56.419 48.963 20.148 0.00 0.00 -ATOM 4377 H2 H2O C1459 56.290 47.961 21.431 0.00 0.00 -ATOM 4378 O1 H2O C1460 2.695 50.843 54.634 0.00 0.00 -ATOM 4379 H1 H2O C1460 3.559 51.308 54.828 0.00 0.00 -ATOM 4380 H2 H2O C1460 2.699 50.514 53.689 0.00 0.00 -ATOM 4381 O1 H2O C1461 31.840 18.381 24.828 0.00 0.00 -ATOM 4382 H1 H2O C1461 32.780 18.373 25.169 0.00 0.00 -ATOM 4383 H2 H2O C1461 31.484 17.447 24.808 0.00 0.00 -ATOM 4384 O1 H2O C1462 29.046 12.790 30.503 0.00 0.00 -ATOM 4385 H1 H2O C1462 29.745 13.280 31.024 0.00 0.00 -ATOM 4386 H2 H2O C1462 28.400 12.361 31.134 0.00 0.00 -ATOM 4387 O1 H2O C1463 41.291 3.986 6.743 0.00 0.00 -ATOM 4388 H1 H2O C1463 40.857 3.418 7.442 0.00 0.00 -ATOM 4389 H2 H2O C1463 40.604 4.279 6.078 0.00 0.00 -ATOM 4390 O1 H2O C1464 11.776 43.711 31.135 0.00 0.00 -ATOM 4391 H1 H2O C1464 10.835 43.839 31.449 0.00 0.00 -ATOM 4392 H2 H2O C1464 11.853 42.835 30.660 0.00 0.00 -ATOM 4393 O1 H2O C1465 45.110 25.207 36.669 0.00 0.00 -ATOM 4394 H1 H2O C1465 45.846 24.633 37.030 0.00 0.00 -ATOM 4395 H2 H2O C1465 45.405 25.626 35.811 0.00 0.00 -ATOM 4396 O1 H2O C1466 8.961 13.515 46.201 0.00 0.00 -ATOM 4397 H1 H2O C1466 9.646 14.228 46.352 0.00 0.00 -ATOM 4398 H2 H2O C1466 8.878 13.336 45.221 0.00 0.00 -ATOM 4399 O1 H2O C1467 42.860 39.601 40.238 0.00 0.00 -ATOM 4400 H1 H2O C1467 42.138 39.301 39.614 0.00 0.00 -ATOM 4401 H2 H2O C1467 42.687 39.230 41.150 0.00 0.00 -ATOM 4402 O1 H2O C1468 38.483 13.602 21.635 0.00 0.00 -ATOM 4403 H1 H2O C1468 37.746 14.272 21.726 0.00 0.00 -ATOM 4404 H2 H2O C1468 38.091 12.683 21.575 0.00 0.00 -ATOM 4405 O1 H2O C1469 31.236 41.224 9.896 0.00 0.00 -ATOM 4406 H1 H2O C1469 32.118 41.594 9.604 0.00 0.00 -ATOM 4407 H2 H2O C1469 31.084 40.340 9.453 0.00 0.00 -ATOM 4408 O1 H2O C1470 27.450 34.698 23.734 0.00 0.00 -ATOM 4409 H1 H2O C1470 27.086 35.378 23.098 0.00 0.00 -ATOM 4410 H2 H2O C1470 27.164 34.924 24.665 0.00 0.00 -ATOM 4411 O1 H2O C1471 54.745 47.539 44.876 0.00 0.00 -ATOM 4412 H1 H2O C1471 54.163 46.785 44.571 0.00 0.00 -ATOM 4413 H2 H2O C1471 54.639 48.315 44.255 0.00 0.00 -ATOM 4414 O1 H2O C1472 57.894 10.174 4.623 0.00 0.00 -ATOM 4415 H1 H2O C1472 57.142 10.191 5.282 0.00 0.00 -ATOM 4416 H2 H2O C1472 58.699 10.612 5.023 0.00 0.00 -ATOM 4417 O1 H2O C1473 19.206 55.432 53.547 0.00 0.00 -ATOM 4418 H1 H2O C1473 19.458 55.837 52.668 0.00 0.00 -ATOM 4419 H2 H2O C1473 20.000 54.965 53.937 0.00 0.00 -ATOM 4420 O1 H2O C1474 6.829 39.053 19.955 0.00 0.00 -ATOM 4421 H1 H2O C1474 7.789 39.321 19.878 0.00 0.00 -ATOM 4422 H2 H2O C1474 6.459 39.382 20.824 0.00 0.00 -ATOM 4423 O1 H2O C1475 26.844 37.574 3.251 0.00 0.00 -ATOM 4424 H1 H2O C1475 26.801 38.565 3.383 0.00 0.00 -ATOM 4425 H2 H2O C1475 27.295 37.373 2.381 0.00 0.00 -ATOM 4426 O1 H2O C1476 36.105 34.399 58.452 0.00 0.00 -ATOM 4427 H1 H2O C1476 36.129 34.118 57.493 0.00 0.00 -ATOM 4428 H2 H2O C1476 35.291 34.955 58.617 0.00 0.00 -ATOM 4429 O1 H2O C1477 44.444 21.151 12.367 0.00 0.00 -ATOM 4430 H1 H2O C1477 44.154 20.271 12.744 0.00 0.00 -ATOM 4431 H2 H2O C1477 45.241 21.016 11.779 0.00 0.00 -ATOM 4432 O1 H2O C1478 1.408 17.782 36.428 0.00 0.00 -ATOM 4433 H1 H2O C1478 0.673 18.380 36.104 0.00 0.00 -ATOM 4434 H2 H2O C1478 1.234 17.527 37.380 0.00 0.00 -ATOM 4435 O1 H2O C1479 14.544 53.106 15.093 0.00 0.00 -ATOM 4436 H1 H2O C1479 14.043 53.558 15.831 0.00 0.00 -ATOM 4437 H2 H2O C1479 15.071 52.342 15.465 0.00 0.00 -ATOM 4438 O1 H2O C1480 54.496 7.812 17.285 0.00 0.00 -ATOM 4439 H1 H2O C1480 54.145 7.162 17.960 0.00 0.00 -ATOM 4440 H2 H2O C1480 54.232 7.513 16.368 0.00 0.00 -ATOM 4441 O1 H2O C1481 38.325 14.673 56.349 0.00 0.00 -ATOM 4442 H1 H2O C1481 39.297 14.751 56.569 0.00 0.00 -ATOM 4443 H2 H2O C1481 38.195 14.800 55.366 0.00 0.00 -ATOM 4444 O1 H2O C1482 41.108 43.662 28.818 0.00 0.00 -ATOM 4445 H1 H2O C1482 40.983 44.621 28.565 0.00 0.00 -ATOM 4446 H2 H2O C1482 40.226 43.268 29.079 0.00 0.00 -ATOM 4447 O1 H2O C1483 32.868 22.672 43.355 0.00 0.00 -ATOM 4448 H1 H2O C1483 32.553 21.972 43.995 0.00 0.00 -ATOM 4449 H2 H2O C1483 33.867 22.666 43.318 0.00 0.00 -ATOM 4450 O1 H2O C1484 43.707 31.895 43.722 0.00 0.00 -ATOM 4451 H1 H2O C1484 43.231 32.767 43.609 0.00 0.00 -ATOM 4452 H2 H2O C1484 44.081 31.837 44.648 0.00 0.00 -ATOM 4453 O1 H2O C1485 21.071 31.437 36.686 0.00 0.00 -ATOM 4454 H1 H2O C1485 21.914 31.537 37.215 0.00 0.00 -ATOM 4455 H2 H2O C1485 21.046 32.128 35.964 0.00 0.00 -ATOM 4456 O1 H2O C1486 3.953 46.704 29.948 0.00 0.00 -ATOM 4457 H1 H2O C1486 3.138 47.119 29.542 0.00 0.00 -ATOM 4458 H2 H2O C1486 3.806 46.573 30.929 0.00 0.00 -ATOM 4459 O1 H2O C1487 32.086 2.509 6.060 0.00 0.00 -ATOM 4460 H1 H2O C1487 32.578 1.643 6.152 0.00 0.00 -ATOM 4461 H2 H2O C1487 32.724 3.269 6.185 0.00 0.00 -ATOM 4462 O1 H2O C1488 55.271 9.195 6.165 0.00 0.00 -ATOM 4463 H1 H2O C1488 54.888 9.619 5.344 0.00 0.00 -ATOM 4464 H2 H2O C1488 54.945 8.253 6.236 0.00 0.00 -ATOM 4465 O1 H2O C1489 3.755 56.929 11.686 0.00 0.00 -ATOM 4466 H1 H2O C1489 3.515 55.958 11.675 0.00 0.00 -ATOM 4467 H2 H2O C1489 4.685 57.039 12.035 0.00 0.00 -ATOM 4468 O1 H2O C1490 37.449 6.860 7.956 0.00 0.00 -ATOM 4469 H1 H2O C1490 37.311 5.923 8.275 0.00 0.00 -ATOM 4470 H2 H2O C1490 36.733 7.449 8.331 0.00 0.00 -ATOM 4471 O1 H2O C1491 20.665 19.849 54.658 0.00 0.00 -ATOM 4472 H1 H2O C1491 21.593 20.223 54.683 0.00 0.00 -ATOM 4473 H2 H2O C1491 20.457 19.540 53.730 0.00 0.00 -ATOM 4474 O1 H2O C1492 10.904 5.614 56.785 0.00 0.00 -ATOM 4475 H1 H2O C1492 10.725 5.044 57.587 0.00 0.00 -ATOM 4476 H2 H2O C1492 10.573 5.148 55.964 0.00 0.00 -ATOM 4477 O1 H2O C1493 5.997 23.367 32.053 0.00 0.00 -ATOM 4478 H1 H2O C1493 5.609 22.504 32.376 0.00 0.00 -ATOM 4479 H2 H2O C1493 5.282 23.911 31.615 0.00 0.00 -ATOM 4480 O1 H2O C1494 47.248 5.368 59.447 0.00 0.00 -ATOM 4481 H1 H2O C1494 47.845 6.161 59.324 0.00 0.00 -ATOM 4482 H2 H2O C1494 47.784 4.598 59.793 0.00 0.00 -ATOM 4483 O1 H2O C1495 59.048 33.856 41.705 0.00 0.00 -ATOM 4484 H1 H2O C1495 58.608 33.633 42.575 0.00 0.00 -ATOM 4485 H2 H2O C1495 60.024 33.643 41.761 0.00 0.00 -ATOM 4486 O1 H2O C1496 53.286 23.578 0.595 0.00 0.00 -ATOM 4487 H1 H2O C1496 52.840 23.935 1.416 0.00 0.00 -ATOM 4488 H2 H2O C1496 54.228 23.909 0.556 0.00 0.00 -ATOM 4489 O1 H2O C1497 13.222 35.922 23.700 0.00 0.00 -ATOM 4490 H1 H2O C1497 13.045 36.195 24.645 0.00 0.00 -ATOM 4491 H2 H2O C1497 13.625 36.689 23.200 0.00 0.00 -ATOM 4492 O1 H2O C1498 22.353 32.699 58.232 0.00 0.00 -ATOM 4493 H1 H2O C1498 21.858 31.830 58.211 0.00 0.00 -ATOM 4494 H2 H2O C1498 23.233 32.569 58.689 0.00 0.00 -ATOM 4495 O1 H2O C1499 54.271 3.838 20.996 0.00 0.00 -ATOM 4496 H1 H2O C1499 54.664 3.685 20.090 0.00 0.00 -ATOM 4497 H2 H2O C1499 54.940 4.304 21.575 0.00 0.00 -ATOM 4498 O1 H2O C1500 2.977 49.060 20.187 0.00 0.00 -ATOM 4499 H1 H2O C1500 3.059 49.232 19.205 0.00 0.00 -ATOM 4500 H2 H2O C1500 3.127 48.089 20.369 0.00 0.00 -ATOM 4501 O1 H2O C1501 15.085 22.954 50.252 0.00 0.00 -ATOM 4502 H1 H2O C1501 15.206 21.981 50.445 0.00 0.00 -ATOM 4503 H2 H2O C1501 14.978 23.088 49.267 0.00 0.00 -ATOM 4504 O1 H2O C1502 28.011 22.730 18.309 0.00 0.00 -ATOM 4505 H1 H2O C1502 27.460 21.901 18.204 0.00 0.00 -ATOM 4506 H2 H2O C1502 27.513 23.511 17.930 0.00 0.00 -ATOM 4507 O1 H2O C1503 11.007 53.595 53.857 0.00 0.00 -ATOM 4508 H1 H2O C1503 10.329 52.873 53.715 0.00 0.00 -ATOM 4509 H2 H2O C1503 11.167 53.714 54.837 0.00 0.00 -ATOM 4510 O1 H2O C1504 52.098 29.702 47.071 0.00 0.00 -ATOM 4511 H1 H2O C1504 51.298 29.526 46.498 0.00 0.00 -ATOM 4512 H2 H2O C1504 52.039 30.626 47.451 0.00 0.00 -ATOM 4513 O1 H2O C1505 35.353 48.484 12.958 0.00 0.00 -ATOM 4514 H1 H2O C1505 35.211 49.474 12.930 0.00 0.00 -ATOM 4515 H2 H2O C1505 35.107 48.137 13.862 0.00 0.00 -ATOM 4516 O1 H2O C1506 2.954 36.790 23.544 0.00 0.00 -ATOM 4517 H1 H2O C1506 2.260 37.510 23.503 0.00 0.00 -ATOM 4518 H2 H2O C1506 2.527 35.906 23.353 0.00 0.00 -ATOM 4519 O1 H2O C1507 34.788 38.133 8.327 0.00 0.00 -ATOM 4520 H1 H2O C1507 35.145 38.225 9.256 0.00 0.00 -ATOM 4521 H2 H2O C1507 35.525 37.853 7.712 0.00 0.00 -ATOM 4522 O1 H2O C1508 4.087 54.137 6.236 0.00 0.00 -ATOM 4523 H1 H2O C1508 3.995 55.130 6.327 0.00 0.00 -ATOM 4524 H2 H2O C1508 3.825 53.862 5.311 0.00 0.00 -ATOM 4525 O1 H2O C1509 54.675 53.271 57.490 0.00 0.00 -ATOM 4526 H1 H2O C1509 53.752 53.086 57.829 0.00 0.00 -ATOM 4527 H2 H2O C1509 55.346 52.959 58.162 0.00 0.00 -ATOM 4528 O1 H2O C1510 52.697 55.745 32.830 0.00 0.00 -ATOM 4529 H1 H2O C1510 52.054 56.345 33.307 0.00 0.00 -ATOM 4530 H2 H2O C1510 52.838 56.081 31.899 0.00 0.00 -ATOM 4531 O1 H2O C1511 38.480 44.692 42.457 0.00 0.00 -ATOM 4532 H1 H2O C1511 38.967 45.064 43.247 0.00 0.00 -ATOM 4533 H2 H2O C1511 37.567 44.396 42.737 0.00 0.00 -ATOM 4534 O1 H2O C1512 42.295 8.053 51.000 0.00 0.00 -ATOM 4535 H1 H2O C1512 42.405 8.935 51.458 0.00 0.00 -ATOM 4536 H2 H2O C1512 41.623 8.140 50.265 0.00 0.00 -ATOM 4537 O1 H2O C1513 21.795 13.705 27.255 0.00 0.00 -ATOM 4538 H1 H2O C1513 21.238 14.517 27.084 0.00 0.00 -ATOM 4539 H2 H2O C1513 22.639 13.761 26.722 0.00 0.00 -ATOM 4540 O1 H2O C1514 22.199 20.839 51.655 0.00 0.00 -ATOM 4541 H1 H2O C1514 21.835 19.975 51.309 0.00 0.00 -ATOM 4542 H2 H2O C1514 22.053 21.558 50.975 0.00 0.00 -ATOM 4543 O1 H2O C1515 43.909 54.208 2.005 0.00 0.00 -ATOM 4544 H1 H2O C1515 44.826 54.069 2.380 0.00 0.00 -ATOM 4545 H2 H2O C1515 43.254 54.306 2.755 0.00 0.00 -ATOM 4546 O1 H2O C1516 53.825 19.703 4.297 0.00 0.00 -ATOM 4547 H1 H2O C1516 52.993 19.155 4.203 0.00 0.00 -ATOM 4548 H2 H2O C1516 54.211 19.568 5.210 0.00 0.00 -ATOM 4549 O1 H2O C1517 27.810 19.569 27.463 0.00 0.00 -ATOM 4550 H1 H2O C1517 28.355 20.316 27.844 0.00 0.00 -ATOM 4551 H2 H2O C1517 27.139 19.940 26.822 0.00 0.00 -ATOM 4552 O1 H2O C1518 2.863 55.527 10.741 0.00 0.00 -ATOM 4553 H1 H2O C1518 3.278 56.277 10.228 0.00 0.00 -ATOM 4554 H2 H2O C1518 1.942 55.354 10.392 0.00 0.00 -ATOM 4555 O1 H2O C1519 48.947 3.216 2.436 0.00 0.00 -ATOM 4556 H1 H2O C1519 49.896 2.997 2.208 0.00 0.00 -ATOM 4557 H2 H2O C1519 48.698 2.768 3.294 0.00 0.00 -ATOM 4558 O1 H2O C1520 52.651 30.843 42.080 0.00 0.00 -ATOM 4559 H1 H2O C1520 52.593 31.704 41.576 0.00 0.00 -ATOM 4560 H2 H2O C1520 51.861 30.759 42.687 0.00 0.00 -ATOM 4561 O1 H2O C1521 31.895 40.908 37.824 0.00 0.00 -ATOM 4562 H1 H2O C1521 31.254 40.171 38.039 0.00 0.00 -ATOM 4563 H2 H2O C1521 32.084 41.437 38.651 0.00 0.00 -ATOM 4564 O1 H2O C1522 15.488 18.768 23.757 0.00 0.00 -ATOM 4565 H1 H2O C1522 14.600 18.792 23.298 0.00 0.00 -ATOM 4566 H2 H2O C1522 16.202 18.550 23.092 0.00 0.00 -ATOM 4567 O1 H2O C1523 46.004 6.514 38.845 0.00 0.00 -ATOM 4568 H1 H2O C1523 46.989 6.474 39.021 0.00 0.00 -ATOM 4569 H2 H2O C1523 45.528 5.912 39.487 0.00 0.00 -ATOM 4570 O1 H2O C1524 59.452 10.442 47.172 0.00 0.00 -ATOM 4571 H1 H2O C1524 60.012 11.251 46.992 0.00 0.00 -ATOM 4572 H2 H2O C1524 59.107 10.077 46.307 0.00 0.00 -ATOM 4573 O1 H2O C1525 36.523 35.946 53.657 0.00 0.00 -ATOM 4574 H1 H2O C1525 36.678 36.658 52.971 0.00 0.00 -ATOM 4575 H2 H2O C1525 36.036 36.337 54.438 0.00 0.00 -ATOM 4576 O1 H2O C1526 48.545 6.461 14.888 0.00 0.00 -ATOM 4577 H1 H2O C1526 48.367 5.480 14.973 0.00 0.00 -ATOM 4578 H2 H2O C1526 48.926 6.806 15.746 0.00 0.00 -ATOM 4579 O1 H2O C1527 28.203 38.144 20.572 0.00 0.00 -ATOM 4580 H1 H2O C1527 27.951 37.365 21.146 0.00 0.00 -ATOM 4581 H2 H2O C1527 27.689 38.107 19.715 0.00 0.00 -ATOM 4582 O1 H2O C1528 34.736 39.655 18.449 0.00 0.00 -ATOM 4583 H1 H2O C1528 35.074 38.836 17.985 0.00 0.00 -ATOM 4584 H2 H2O C1528 34.258 39.390 19.286 0.00 0.00 -ATOM 4585 O1 H2O C1529 45.768 59.576 30.422 0.00 0.00 -ATOM 4586 H1 H2O C1529 46.280 58.877 29.923 0.00 0.00 -ATOM 4587 H2 H2O C1529 45.254 59.146 31.164 0.00 0.00 -ATOM 4588 O1 H2O C1530 36.900 11.715 2.278 0.00 0.00 -ATOM 4589 H1 H2O C1530 36.519 11.301 1.451 0.00 0.00 -ATOM 4590 H2 H2O C1530 36.347 12.506 2.540 0.00 0.00 -ATOM 4591 O1 H2O C1531 17.862 50.684 2.652 0.00 0.00 -ATOM 4592 H1 H2O C1531 17.004 50.175 2.720 0.00 0.00 -ATOM 4593 H2 H2O C1531 17.678 51.603 2.304 0.00 0.00 -ATOM 4594 O1 H2O C1532 24.391 29.149 46.041 0.00 0.00 -ATOM 4595 H1 H2O C1532 24.353 29.915 45.400 0.00 0.00 -ATOM 4596 H2 H2O C1532 25.342 28.967 46.289 0.00 0.00 -ATOM 4597 O1 H2O C1533 34.020 16.273 57.852 0.00 0.00 -ATOM 4598 H1 H2O C1533 34.039 17.271 57.796 0.00 0.00 -ATOM 4599 H2 H2O C1533 34.872 15.945 58.261 0.00 0.00 -ATOM 4600 O1 H2O C1534 35.766 23.330 4.192 0.00 0.00 -ATOM 4601 H1 H2O C1534 35.557 23.014 5.118 0.00 0.00 -ATOM 4602 H2 H2O C1534 35.284 22.757 3.528 0.00 0.00 -ATOM 4603 O1 H2O C1535 3.354 23.450 34.818 0.00 0.00 -ATOM 4604 H1 H2O C1535 3.104 24.047 34.055 0.00 0.00 -ATOM 4605 H2 H2O C1535 3.673 24.005 35.585 0.00 0.00 -ATOM 4606 O1 H2O C1536 18.881 13.973 20.126 0.00 0.00 -ATOM 4607 H1 H2O C1536 19.091 14.154 19.165 0.00 0.00 -ATOM 4608 H2 H2O C1536 19.178 13.048 20.363 0.00 0.00 -ATOM 4609 O1 H2O C1537 56.937 47.157 31.613 0.00 0.00 -ATOM 4610 H1 H2O C1537 56.289 47.752 32.088 0.00 0.00 -ATOM 4611 H2 H2O C1537 57.451 46.621 32.283 0.00 0.00 -ATOM 4612 O1 H2O C1538 10.039 40.488 0.856 0.00 0.00 -ATOM 4613 H1 H2O C1538 9.877 39.995 -0.000 0.00 0.00 -ATOM 4614 H2 H2O C1538 9.394 41.250 0.927 0.00 0.00 -ATOM 4615 O1 H2O C1539 51.689 9.198 8.539 0.00 0.00 -ATOM 4616 H1 H2O C1539 52.001 8.261 8.379 0.00 0.00 -ATOM 4617 H2 H2O C1539 50.712 9.262 8.335 0.00 0.00 -ATOM 4618 O1 H2O C1540 38.823 10.045 48.901 0.00 0.00 -ATOM 4619 H1 H2O C1540 38.299 10.066 49.752 0.00 0.00 -ATOM 4620 H2 H2O C1540 39.786 9.870 49.107 0.00 0.00 -ATOM 4621 O1 H2O C1541 49.054 53.300 55.646 0.00 0.00 -ATOM 4622 H1 H2O C1541 48.793 54.240 55.866 0.00 0.00 -ATOM 4623 H2 H2O C1541 49.173 52.780 56.492 0.00 0.00 -ATOM 4624 O1 H2O C1542 57.737 47.699 45.311 0.00 0.00 -ATOM 4625 H1 H2O C1542 57.207 46.927 45.663 0.00 0.00 -ATOM 4626 H2 H2O C1542 57.131 48.320 44.815 0.00 0.00 -ATOM 4627 O1 H2O C1543 29.566 30.447 36.373 0.00 0.00 -ATOM 4628 H1 H2O C1543 30.425 29.941 36.451 0.00 0.00 -ATOM 4629 H2 H2O C1543 28.904 30.084 37.029 0.00 0.00 -ATOM 4630 O1 H2O C1544 45.984 44.520 39.155 0.00 0.00 -ATOM 4631 H1 H2O C1544 45.411 44.489 39.975 0.00 0.00 -ATOM 4632 H2 H2O C1544 46.830 44.012 39.321 0.00 0.00 -ATOM 4633 O1 H2O C1545 13.056 17.473 56.870 0.00 0.00 -ATOM 4634 H1 H2O C1545 13.070 16.657 56.293 0.00 0.00 -ATOM 4635 H2 H2O C1545 13.954 17.598 57.293 0.00 0.00 -ATOM 4636 O1 H2O C1546 8.346 21.773 12.481 0.00 0.00 -ATOM 4637 H1 H2O C1546 9.216 22.049 12.071 0.00 0.00 -ATOM 4638 H2 H2O C1546 8.332 20.780 12.596 0.00 0.00 -ATOM 4639 O1 H2O C1547 16.441 59.294 32.383 0.00 0.00 -ATOM 4640 H1 H2O C1547 16.178 60.254 32.284 0.00 0.00 -ATOM 4641 H2 H2O C1547 15.875 58.731 31.781 0.00 0.00 -ATOM 4642 O1 H2O C1548 4.134 31.168 41.029 0.00 0.00 -ATOM 4643 H1 H2O C1548 3.398 30.782 40.473 0.00 0.00 -ATOM 4644 H2 H2O C1548 4.734 30.433 41.344 0.00 0.00 -ATOM 4645 O1 H2O C1549 58.326 23.798 28.375 0.00 0.00 -ATOM 4646 H1 H2O C1549 57.865 22.913 28.431 0.00 0.00 -ATOM 4647 H2 H2O C1549 58.524 24.011 27.418 0.00 0.00 -ATOM 4648 O1 H2O C1550 20.181 49.311 19.949 0.00 0.00 -ATOM 4649 H1 H2O C1550 19.266 49.650 19.732 0.00 0.00 -ATOM 4650 H2 H2O C1550 20.705 50.033 20.401 0.00 0.00 -ATOM 4651 O1 H2O C1551 17.064 41.670 0.734 0.00 0.00 -ATOM 4652 H1 H2O C1551 16.720 40.786 0.417 0.00 0.00 -ATOM 4653 H2 H2O C1551 17.007 42.336 -0.010 0.00 0.00 -ATOM 4654 O1 H2O C1552 59.797 35.710 26.366 0.00 0.00 -ATOM 4655 H1 H2O C1552 60.357 35.910 25.562 0.00 0.00 -ATOM 4656 H2 H2O C1552 59.791 34.723 26.530 0.00 0.00 -ATOM 4657 O1 H2O C1553 46.409 37.838 11.072 0.00 0.00 -ATOM 4658 H1 H2O C1553 46.203 37.019 11.608 0.00 0.00 -ATOM 4659 H2 H2O C1553 46.716 37.570 10.159 0.00 0.00 -ATOM 4660 O1 H2O C1554 57.462 40.288 39.748 0.00 0.00 -ATOM 4661 H1 H2O C1554 57.044 40.590 40.604 0.00 0.00 -ATOM 4662 H2 H2O C1554 56.981 40.704 38.976 0.00 0.00 -ATOM 4663 O1 H2O C1555 28.920 20.453 31.721 0.00 0.00 -ATOM 4664 H1 H2O C1555 29.914 20.523 31.804 0.00 0.00 -ATOM 4665 H2 H2O C1555 28.656 20.586 30.765 0.00 0.00 -ATOM 4666 O1 H2O C1556 14.614 47.491 46.163 0.00 0.00 -ATOM 4667 H1 H2O C1556 14.326 46.993 45.345 0.00 0.00 -ATOM 4668 H2 H2O C1556 14.120 47.139 46.958 0.00 0.00 -ATOM 4669 O1 H2O C1557 32.481 7.210 38.258 0.00 0.00 -ATOM 4670 H1 H2O C1557 32.675 6.385 38.789 0.00 0.00 -ATOM 4671 H2 H2O C1557 33.119 7.269 37.489 0.00 0.00 -ATOM 4672 O1 H2O C1558 46.760 57.633 1.376 0.00 0.00 -ATOM 4673 H1 H2O C1558 46.491 57.292 0.475 0.00 0.00 -ATOM 4674 H2 H2O C1558 46.908 58.621 1.329 0.00 0.00 -ATOM 4675 O1 H2O C1559 42.117 15.810 17.600 0.00 0.00 -ATOM 4676 H1 H2O C1559 42.764 15.571 18.325 0.00 0.00 -ATOM 4677 H2 H2O C1559 42.446 16.619 17.113 0.00 0.00 -ATOM 4678 O1 H2O C1560 38.733 56.774 57.658 0.00 0.00 -ATOM 4679 H1 H2O C1560 39.304 57.138 58.394 0.00 0.00 -ATOM 4680 H2 H2O C1560 38.749 57.404 56.881 0.00 0.00 -ATOM 4681 O1 H2O C1561 16.135 16.506 33.200 0.00 0.00 -ATOM 4682 H1 H2O C1561 16.963 17.049 33.336 0.00 0.00 -ATOM 4683 H2 H2O C1561 15.332 17.060 33.421 0.00 0.00 -ATOM 4684 O1 H2O C1562 0.231 57.009 55.134 0.00 0.00 -ATOM 4685 H1 H2O C1562 0.275 56.140 55.628 0.00 0.00 -ATOM 4686 H2 H2O C1562 -0.344 56.902 54.323 0.00 0.00 -ATOM 4687 O1 H2O C1563 7.933 47.297 38.071 0.00 0.00 -ATOM 4688 H1 H2O C1563 8.113 47.135 37.100 0.00 0.00 -ATOM 4689 H2 H2O C1563 7.977 46.430 38.567 0.00 0.00 -ATOM 4690 O1 H2O C1564 25.131 13.128 1.088 0.00 0.00 -ATOM 4691 H1 H2O C1564 24.779 14.031 1.333 0.00 0.00 -ATOM 4692 H2 H2O C1564 26.075 13.040 1.406 0.00 0.00 -ATOM 4693 O1 H2O C1565 25.074 36.204 56.573 0.00 0.00 -ATOM 4694 H1 H2O C1565 24.100 36.374 56.421 0.00 0.00 -ATOM 4695 H2 H2O C1565 25.353 36.621 57.439 0.00 0.00 -ATOM 4696 O1 H2O C1566 30.460 22.430 20.355 0.00 0.00 -ATOM 4697 H1 H2O C1566 30.365 23.411 20.185 0.00 0.00 -ATOM 4698 H2 H2O C1566 29.936 22.180 21.169 0.00 0.00 -ATOM 4699 O1 H2O C1567 20.185 15.782 27.471 0.00 0.00 -ATOM 4700 H1 H2O C1567 20.367 14.801 27.405 0.00 0.00 -ATOM 4701 H2 H2O C1567 19.799 15.991 28.369 0.00 0.00 -ATOM 4702 O1 H2O C1568 49.938 45.425 3.835 0.00 0.00 -ATOM 4703 H1 H2O C1568 49.931 44.617 3.246 0.00 0.00 -ATOM 4704 H2 H2O C1568 50.641 46.062 3.518 0.00 0.00 -ATOM 4705 O1 H2O C1569 51.546 40.854 59.322 0.00 0.00 -ATOM 4706 H1 H2O C1569 50.625 40.478 59.218 0.00 0.00 -ATOM 4707 H2 H2O C1569 52.184 40.336 58.754 0.00 0.00 -ATOM 4708 O1 H2O C1570 6.827 50.862 47.693 0.00 0.00 -ATOM 4709 H1 H2O C1570 6.122 50.313 48.142 0.00 0.00 -ATOM 4710 H2 H2O C1570 7.185 51.537 48.339 0.00 0.00 -ATOM 4711 O1 H2O C1571 0.933 5.056 31.036 0.00 0.00 -ATOM 4712 H1 H2O C1571 1.141 4.377 31.741 0.00 0.00 -ATOM 4713 H2 H2O C1571 0.078 5.521 31.264 0.00 0.00 -ATOM 4714 O1 H2O C1572 25.100 15.710 51.842 0.00 0.00 -ATOM 4715 H1 H2O C1572 24.587 14.995 52.317 0.00 0.00 -ATOM 4716 H2 H2O C1572 25.952 15.328 51.485 0.00 0.00 -ATOM 4717 O1 H2O C1573 26.513 20.035 32.756 0.00 0.00 -ATOM 4718 H1 H2O C1573 26.081 20.381 31.923 0.00 0.00 -ATOM 4719 H2 H2O C1573 26.546 20.762 33.441 0.00 0.00 -ATOM 4720 O1 H2O C1574 31.151 12.088 28.473 0.00 0.00 -ATOM 4721 H1 H2O C1574 31.674 12.569 27.769 0.00 0.00 -ATOM 4722 H2 H2O C1574 31.152 12.628 29.315 0.00 0.00 -ATOM 4723 O1 H2O C1575 39.071 45.186 14.627 0.00 0.00 -ATOM 4724 H1 H2O C1575 38.963 44.735 15.513 0.00 0.00 -ATOM 4725 H2 H2O C1575 39.960 44.947 14.236 0.00 0.00 -ATOM 4726 O1 H2O C1576 42.054 10.164 2.042 0.00 0.00 -ATOM 4727 H1 H2O C1576 41.750 11.103 1.878 0.00 0.00 -ATOM 4728 H2 H2O C1576 42.344 9.752 1.178 0.00 0.00 -ATOM 4729 O1 H2O C1577 21.635 20.566 22.160 0.00 0.00 -ATOM 4730 H1 H2O C1577 21.568 20.458 23.152 0.00 0.00 -ATOM 4731 H2 H2O C1577 22.597 20.655 21.898 0.00 0.00 -ATOM 4732 O1 H2O C1578 50.074 26.561 36.142 0.00 0.00 -ATOM 4733 H1 H2O C1578 49.591 27.423 36.299 0.00 0.00 -ATOM 4734 H2 H2O C1578 50.052 26.010 36.977 0.00 0.00 -ATOM 4735 O1 H2O C1579 28.578 14.843 1.742 0.00 0.00 -ATOM 4736 H1 H2O C1579 28.749 14.990 0.767 0.00 0.00 -ATOM 4737 H2 H2O C1579 27.629 15.079 1.952 0.00 0.00 -ATOM 4738 O1 H2O C1580 46.118 14.815 35.517 0.00 0.00 -ATOM 4739 H1 H2O C1580 45.120 14.848 35.478 0.00 0.00 -ATOM 4740 H2 H2O C1580 46.469 15.696 35.834 0.00 0.00 -ATOM 4741 O1 H2O C1581 24.850 33.516 50.041 0.00 0.00 -ATOM 4742 H1 H2O C1581 25.203 32.682 49.616 0.00 0.00 -ATOM 4743 H2 H2O C1581 23.874 33.406 50.229 0.00 0.00 -ATOM 4744 O1 H2O C1582 28.843 4.396 50.004 0.00 0.00 -ATOM 4745 H1 H2O C1582 28.473 5.273 50.310 0.00 0.00 -ATOM 4746 H2 H2O C1582 29.283 4.512 49.114 0.00 0.00 -ATOM 4747 O1 H2O C1583 42.910 8.400 3.408 0.00 0.00 -ATOM 4748 H1 H2O C1583 42.546 7.617 2.903 0.00 0.00 -ATOM 4749 H2 H2O C1583 43.110 9.144 2.771 0.00 0.00 -ATOM 4750 O1 H2O C1584 49.664 45.549 2.768 0.00 0.00 -ATOM 4751 H1 H2O C1584 50.056 46.370 3.185 0.00 0.00 -ATOM 4752 H2 H2O C1584 49.063 45.814 2.014 0.00 0.00 -ATOM 4753 O1 H2O C1585 17.670 21.796 21.031 0.00 0.00 -ATOM 4754 H1 H2O C1585 16.889 22.420 21.071 0.00 0.00 -ATOM 4755 H2 H2O C1585 18.092 21.846 20.126 0.00 0.00 -ATOM 4756 O1 H2O C1586 52.403 7.976 46.061 0.00 0.00 -ATOM 4757 H1 H2O C1586 51.476 7.625 45.930 0.00 0.00 -ATOM 4758 H2 H2O C1586 52.375 8.974 46.129 0.00 0.00 -ATOM 4759 O1 H2O C1587 52.722 46.681 30.365 0.00 0.00 -ATOM 4760 H1 H2O C1587 52.030 46.611 31.085 0.00 0.00 -ATOM 4761 H2 H2O C1587 52.278 46.897 29.496 0.00 0.00 -ATOM 4762 O1 H2O C1588 50.354 31.851 8.441 0.00 0.00 -ATOM 4763 H1 H2O C1588 51.346 31.932 8.539 0.00 0.00 -ATOM 4764 H2 H2O C1588 50.138 31.462 7.545 0.00 0.00 -ATOM 4765 O1 H2O C1589 33.677 0.573 7.984 0.00 0.00 -ATOM 4766 H1 H2O C1589 33.140 0.963 8.732 0.00 0.00 -ATOM 4767 H2 H2O C1589 33.411 -0.382 7.846 0.00 0.00 -ATOM 4768 O1 H2O C1590 39.550 21.557 9.271 0.00 0.00 -ATOM 4769 H1 H2O C1590 40.476 21.336 9.580 0.00 0.00 -ATOM 4770 H2 H2O C1590 39.445 22.550 9.216 0.00 0.00 -ATOM 4771 O1 H2O C1591 58.931 33.731 20.945 0.00 0.00 -ATOM 4772 H1 H2O C1591 58.186 33.888 21.594 0.00 0.00 -ATOM 4773 H2 H2O C1591 59.445 32.917 21.218 0.00 0.00 -ATOM 4774 O1 H2O C1592 17.587 6.235 15.427 0.00 0.00 -ATOM 4775 H1 H2O C1592 17.869 5.278 15.485 0.00 0.00 -ATOM 4776 H2 H2O C1592 16.956 6.352 14.660 0.00 0.00 -ATOM 4777 O1 H2O C1593 11.547 10.688 24.325 0.00 0.00 -ATOM 4778 H1 H2O C1593 12.151 10.671 23.527 0.00 0.00 -ATOM 4779 H2 H2O C1593 10.600 10.801 24.023 0.00 0.00 -ATOM 4780 O1 H2O C1594 17.601 46.899 12.781 0.00 0.00 -ATOM 4781 H1 H2O C1594 18.007 47.539 13.432 0.00 0.00 -ATOM 4782 H2 H2O C1594 16.982 47.392 12.170 0.00 0.00 -ATOM 4783 O1 H2O C1595 5.534 35.817 7.611 0.00 0.00 -ATOM 4784 H1 H2O C1595 6.316 35.430 7.121 0.00 0.00 -ATOM 4785 H2 H2O C1595 5.355 35.274 8.432 0.00 0.00 -ATOM 4786 O1 H2O C1596 20.770 47.033 55.405 0.00 0.00 -ATOM 4787 H1 H2O C1596 21.298 46.252 55.740 0.00 0.00 -ATOM 4788 H2 H2O C1596 19.873 46.720 55.094 0.00 0.00 -ATOM 4789 O1 H2O C1597 51.738 8.810 25.406 0.00 0.00 -ATOM 4790 H1 H2O C1597 51.434 9.006 26.338 0.00 0.00 -ATOM 4791 H2 H2O C1597 51.312 9.457 24.774 0.00 0.00 -ATOM 4792 O1 H2O C1598 32.291 35.243 12.613 0.00 0.00 -ATOM 4793 H1 H2O C1598 31.380 34.833 12.665 0.00 0.00 -ATOM 4794 H2 H2O C1598 32.578 35.297 11.656 0.00 0.00 -ATOM 4795 O1 H2O C1599 54.696 56.698 36.109 0.00 0.00 -ATOM 4796 H1 H2O C1599 55.489 56.777 36.714 0.00 0.00 -ATOM 4797 H2 H2O C1599 54.927 57.061 35.207 0.00 0.00 -ATOM 4798 O1 H2O C1600 24.174 0.167 23.247 0.00 0.00 -ATOM 4799 H1 H2O C1600 23.858 1.088 23.020 0.00 0.00 -ATOM 4800 H2 H2O C1600 25.174 0.161 23.292 0.00 0.00 -ATOM 4801 O1 H2O C1601 41.692 10.027 27.532 0.00 0.00 -ATOM 4802 H1 H2O C1601 41.914 9.912 28.500 0.00 0.00 -ATOM 4803 H2 H2O C1601 42.474 10.429 27.056 0.00 0.00 -ATOM 4804 O1 H2O C1602 47.665 25.251 41.855 0.00 0.00 -ATOM 4805 H1 H2O C1602 47.569 24.402 42.375 0.00 0.00 -ATOM 4806 H2 H2O C1602 48.633 25.489 41.782 0.00 0.00 -ATOM 4807 O1 H2O C1603 44.165 58.919 12.906 0.00 0.00 -ATOM 4808 H1 H2O C1603 44.509 59.493 12.164 0.00 0.00 -ATOM 4809 H2 H2O C1603 44.619 59.171 13.761 0.00 0.00 -ATOM 4810 O1 H2O C1604 7.864 6.151 6.405 0.00 0.00 -ATOM 4811 H1 H2O C1604 8.700 6.642 6.646 0.00 0.00 -ATOM 4812 H2 H2O C1604 7.407 6.621 5.650 0.00 0.00 -ATOM 4813 O1 H2O C1605 34.774 28.554 28.612 0.00 0.00 -ATOM 4814 H1 H2O C1605 35.227 27.727 28.945 0.00 0.00 -ATOM 4815 H2 H2O C1605 35.311 28.950 27.867 0.00 0.00 -ATOM 4816 O1 H2O C1606 4.826 48.864 26.234 0.00 0.00 -ATOM 4817 H1 H2O C1606 4.071 48.216 26.126 0.00 0.00 -ATOM 4818 H2 H2O C1606 5.127 49.176 25.332 0.00 0.00 -ATOM 4819 O1 H2O C1607 58.693 47.778 14.409 0.00 0.00 -ATOM 4820 H1 H2O C1607 59.479 48.392 14.484 0.00 0.00 -ATOM 4821 H2 H2O C1607 58.971 46.849 14.655 0.00 0.00 -ATOM 4822 O1 H2O C1608 19.120 16.800 47.455 0.00 0.00 -ATOM 4823 H1 H2O C1608 18.490 16.941 48.219 0.00 0.00 -ATOM 4824 H2 H2O C1608 18.690 16.207 46.774 0.00 0.00 -ATOM 4825 O1 H2O C1609 42.190 6.164 57.075 0.00 0.00 -ATOM 4826 H1 H2O C1609 41.372 6.001 56.522 0.00 0.00 -ATOM 4827 H2 H2O C1609 42.874 5.464 56.872 0.00 0.00 -ATOM 4828 O1 H2O C1610 15.857 31.162 37.444 0.00 0.00 -ATOM 4829 H1 H2O C1610 16.851 31.058 37.495 0.00 0.00 -ATOM 4830 H2 H2O C1610 15.423 30.522 38.080 0.00 0.00 -ATOM 4831 O1 H2O C1611 36.972 8.608 27.860 0.00 0.00 -ATOM 4832 H1 H2O C1611 36.986 8.359 26.892 0.00 0.00 -ATOM 4833 H2 H2O C1611 36.106 9.059 28.075 0.00 0.00 -ATOM 4834 O1 H2O C1612 47.730 33.804 51.388 0.00 0.00 -ATOM 4835 H1 H2O C1612 48.631 34.232 51.316 0.00 0.00 -ATOM 4836 H2 H2O C1612 47.837 32.814 51.479 0.00 0.00 -ATOM 4837 O1 H2O C1613 14.984 19.416 44.424 0.00 0.00 -ATOM 4838 H1 H2O C1613 14.489 19.207 45.267 0.00 0.00 -ATOM 4839 H2 H2O C1613 15.360 18.573 44.040 0.00 0.00 -ATOM 4840 O1 H2O C1614 37.612 44.062 7.420 0.00 0.00 -ATOM 4841 H1 H2O C1614 38.376 43.489 7.124 0.00 0.00 -ATOM 4842 H2 H2O C1614 37.931 45.000 7.552 0.00 0.00 -ATOM 4843 O1 H2O C1615 42.432 28.703 52.589 0.00 0.00 -ATOM 4844 H1 H2O C1615 41.520 28.292 52.577 0.00 0.00 -ATOM 4845 H2 H2O C1615 42.518 29.345 51.826 0.00 0.00 -ATOM 4846 O1 H2O C1616 35.075 28.847 22.986 0.00 0.00 -ATOM 4847 H1 H2O C1616 34.337 28.231 23.263 0.00 0.00 -ATOM 4848 H2 H2O C1616 35.790 28.324 22.522 0.00 0.00 -ATOM 4849 O1 H2O C1617 9.294 33.736 55.440 0.00 0.00 -ATOM 4850 H1 H2O C1617 8.768 34.540 55.160 0.00 0.00 -ATOM 4851 H2 H2O C1617 9.841 33.411 54.668 0.00 0.00 -ATOM 4852 O1 H2O C1618 39.851 25.965 39.122 0.00 0.00 -ATOM 4853 H1 H2O C1618 40.221 26.590 39.810 0.00 0.00 -ATOM 4854 H2 H2O C1618 38.906 26.221 38.915 0.00 0.00 -ATOM 4855 O1 H2O C1619 45.118 17.491 36.263 0.00 0.00 -ATOM 4856 H1 H2O C1619 45.857 17.366 36.925 0.00 0.00 -ATOM 4857 H2 H2O C1619 44.553 16.666 36.234 0.00 0.00 -ATOM 4858 O1 H2O C1620 18.675 16.896 30.103 0.00 0.00 -ATOM 4859 H1 H2O C1620 17.986 16.288 30.499 0.00 0.00 -ATOM 4860 H2 H2O C1620 19.575 16.465 30.165 0.00 0.00 -ATOM 4861 O1 H2O C1621 46.632 10.629 28.690 0.00 0.00 -ATOM 4862 H1 H2O C1621 47.376 10.970 28.116 0.00 0.00 -ATOM 4863 H2 H2O C1621 47.007 10.273 29.545 0.00 0.00 -ATOM 4864 O1 H2O C1622 26.794 13.270 8.017 0.00 0.00 -ATOM 4865 H1 H2O C1622 27.196 12.866 8.839 0.00 0.00 -ATOM 4866 H2 H2O C1622 25.882 12.887 7.869 0.00 0.00 -ATOM 4867 O1 H2O C1623 54.727 13.658 53.362 0.00 0.00 -ATOM 4868 H1 H2O C1623 54.360 12.966 53.984 0.00 0.00 -ATOM 4869 H2 H2O C1623 55.452 13.254 52.805 0.00 0.00 -ATOM 4870 O1 H2O C1624 24.608 11.437 23.858 0.00 0.00 -ATOM 4871 H1 H2O C1624 24.162 10.899 24.573 0.00 0.00 -ATOM 4872 H2 H2O C1624 24.510 12.411 24.064 0.00 0.00 -ATOM 4873 O1 H2O C1625 11.215 57.007 58.331 0.00 0.00 -ATOM 4874 H1 H2O C1625 10.223 57.087 58.426 0.00 0.00 -ATOM 4875 H2 H2O C1625 11.663 57.596 59.004 0.00 0.00 -ATOM 4876 O1 H2O C1626 35.807 49.722 46.861 0.00 0.00 -ATOM 4877 H1 H2O C1626 36.699 49.673 46.411 0.00 0.00 -ATOM 4878 H2 H2O C1626 35.937 49.766 47.852 0.00 0.00 -ATOM 4879 O1 H2O C1627 9.643 23.223 42.129 0.00 0.00 -ATOM 4880 H1 H2O C1627 10.212 22.407 42.030 0.00 0.00 -ATOM 4881 H2 H2O C1627 9.468 23.619 41.228 0.00 0.00 -ATOM 4882 O1 H2O C1628 19.434 14.985 49.256 0.00 0.00 -ATOM 4883 H1 H2O C1628 19.437 14.263 48.564 0.00 0.00 -ATOM 4884 H2 H2O C1628 19.543 15.874 48.811 0.00 0.00 -ATOM 4885 O1 H2O C1629 50.884 1.077 19.522 0.00 0.00 -ATOM 4886 H1 H2O C1629 51.539 1.760 19.847 0.00 0.00 -ATOM 4887 H2 H2O C1629 50.204 1.520 18.938 0.00 0.00 -ATOM 4888 O1 H2O C1630 49.406 58.645 33.210 0.00 0.00 -ATOM 4889 H1 H2O C1630 48.522 59.107 33.286 0.00 0.00 -ATOM 4890 H2 H2O C1630 49.641 58.533 32.245 0.00 0.00 -ATOM 4891 O1 H2O C1631 11.685 9.914 5.973 0.00 0.00 -ATOM 4892 H1 H2O C1631 12.396 10.062 6.661 0.00 0.00 -ATOM 4893 H2 H2O C1631 11.249 9.028 6.131 0.00 0.00 -ATOM 4894 O1 H2O C1632 26.372 52.010 58.272 0.00 0.00 -ATOM 4895 H1 H2O C1632 25.654 52.633 58.581 0.00 0.00 -ATOM 4896 H2 H2O C1632 26.332 51.923 57.276 0.00 0.00 -ATOM 4897 O1 H2O C1633 35.750 28.818 9.710 0.00 0.00 -ATOM 4898 H1 H2O C1633 36.253 29.218 8.944 0.00 0.00 -ATOM 4899 H2 H2O C1633 34.934 28.353 9.367 0.00 0.00 -ATOM 4900 O1 H2O C1634 9.027 35.700 13.990 0.00 0.00 -ATOM 4901 H1 H2O C1634 9.775 35.064 14.179 0.00 0.00 -ATOM 4902 H2 H2O C1634 9.059 36.457 14.643 0.00 0.00 -ATOM 4903 O1 H2O C1635 21.372 23.676 39.954 0.00 0.00 -ATOM 4904 H1 H2O C1635 21.220 24.576 40.363 0.00 0.00 -ATOM 4905 H2 H2O C1635 20.732 23.018 40.352 0.00 0.00 -ATOM 4906 O1 H2O C1636 12.447 14.455 54.749 0.00 0.00 -ATOM 4907 H1 H2O C1636 12.792 15.072 55.458 0.00 0.00 -ATOM 4908 H2 H2O C1636 12.623 13.508 55.019 0.00 0.00 -ATOM 4909 O1 H2O C1637 22.126 57.922 25.901 0.00 0.00 -ATOM 4910 H1 H2O C1637 22.880 58.578 25.855 0.00 0.00 -ATOM 4911 H2 H2O C1637 21.762 57.768 24.982 0.00 0.00 -ATOM 4912 O1 H2O C1638 8.624 24.689 39.989 0.00 0.00 -ATOM 4913 H1 H2O C1638 9.213 25.031 39.258 0.00 0.00 -ATOM 4914 H2 H2O C1638 8.569 25.370 40.719 0.00 0.00 -ATOM 4915 O1 H2O C1639 33.856 44.807 19.656 0.00 0.00 -ATOM 4916 H1 H2O C1639 33.165 44.696 20.371 0.00 0.00 -ATOM 4917 H2 H2O C1639 34.306 43.930 19.488 0.00 0.00 -ATOM 4918 O1 H2O C1640 58.530 49.485 14.382 0.00 0.00 -ATOM 4919 H1 H2O C1640 58.528 48.935 13.547 0.00 0.00 -ATOM 4920 H2 H2O C1640 59.138 49.065 15.056 0.00 0.00 -ATOM 4921 O1 H2O C1641 58.020 54.004 21.769 0.00 0.00 -ATOM 4922 H1 H2O C1641 57.072 53.731 21.608 0.00 0.00 -ATOM 4923 H2 H2O C1641 58.342 54.558 21.000 0.00 0.00 -ATOM 4924 O1 H2O C1642 49.228 47.433 4.933 0.00 0.00 -ATOM 4925 H1 H2O C1642 49.640 48.310 5.180 0.00 0.00 -ATOM 4926 H2 H2O C1642 48.949 47.453 3.973 0.00 0.00 -ATOM 4927 O1 H2O C1643 20.693 7.393 49.238 0.00 0.00 -ATOM 4928 H1 H2O C1643 20.914 6.681 48.572 0.00 0.00 -ATOM 4929 H2 H2O C1643 20.214 8.142 48.780 0.00 0.00 -ATOM 4930 O1 H2O C1644 26.813 58.979 41.386 0.00 0.00 -ATOM 4931 H1 H2O C1644 27.805 58.946 41.260 0.00 0.00 -ATOM 4932 H2 H2O C1644 26.478 59.892 41.151 0.00 0.00 -ATOM 4933 O1 H2O C1645 58.460 10.373 26.252 0.00 0.00 -ATOM 4934 H1 H2O C1645 57.867 10.550 27.038 0.00 0.00 -ATOM 4935 H2 H2O C1645 57.902 10.101 25.468 0.00 0.00 -ATOM 4936 O1 H2O C1646 53.407 52.987 1.254 0.00 0.00 -ATOM 4937 H1 H2O C1646 53.354 52.304 0.525 0.00 0.00 -ATOM 4938 H2 H2O C1646 53.263 52.540 2.138 0.00 0.00 -ATOM 4939 O1 H2O C1647 15.808 31.238 9.499 0.00 0.00 -ATOM 4940 H1 H2O C1647 15.145 31.985 9.443 0.00 0.00 -ATOM 4941 H2 H2O C1647 16.636 31.490 8.997 0.00 0.00 -ATOM 4942 O1 H2O C1648 57.207 37.784 13.113 0.00 0.00 -ATOM 4943 H1 H2O C1648 56.542 37.558 12.402 0.00 0.00 -ATOM 4944 H2 H2O C1648 58.053 38.108 12.688 0.00 0.00 -ATOM 4945 O1 H2O C1649 47.552 54.951 51.159 0.00 0.00 -ATOM 4946 H1 H2O C1649 46.692 54.694 50.716 0.00 0.00 -ATOM 4947 H2 H2O C1649 47.899 54.174 51.686 0.00 0.00 -ATOM 4948 O1 H2O C1650 15.976 46.509 47.026 0.00 0.00 -ATOM 4949 H1 H2O C1650 16.668 46.165 47.661 0.00 0.00 -ATOM 4950 H2 H2O C1650 15.065 46.342 47.404 0.00 0.00 -ATOM 4951 O1 H2O C1651 0.504 32.203 0.705 0.00 0.00 -ATOM 4952 H1 H2O C1651 0.388 33.146 0.390 0.00 0.00 -ATOM 4953 H2 H2O C1651 0.968 31.670 -0.003 0.00 0.00 -ATOM 4954 O1 H2O C1652 31.554 40.917 9.710 0.00 0.00 -ATOM 4955 H1 H2O C1652 30.631 41.146 10.020 0.00 0.00 -ATOM 4956 H2 H2O C1652 31.499 40.304 8.923 0.00 0.00 -ATOM 4957 O1 H2O C1653 6.000 45.400 26.034 0.00 0.00 -ATOM 4958 H1 H2O C1653 5.467 44.625 26.373 0.00 0.00 -ATOM 4959 H2 H2O C1653 6.919 45.091 25.790 0.00 0.00 -ATOM 4960 O1 H2O C1654 40.089 30.148 20.340 0.00 0.00 -ATOM 4961 H1 H2O C1654 40.978 29.752 20.108 0.00 0.00 -ATOM 4962 H2 H2O C1654 39.756 29.743 21.191 0.00 0.00 -ATOM 4963 O1 H2O C1655 36.151 3.581 53.849 0.00 0.00 -ATOM 4964 H1 H2O C1655 35.914 3.386 52.897 0.00 0.00 -ATOM 4965 H2 H2O C1655 36.136 4.569 54.000 0.00 0.00 -ATOM 4966 O1 H2O C1656 28.687 19.541 43.561 0.00 0.00 -ATOM 4967 H1 H2O C1656 29.466 19.339 42.967 0.00 0.00 -ATOM 4968 H2 H2O C1656 28.632 18.850 44.283 0.00 0.00 -ATOM 4969 O1 H2O C1657 5.580 56.622 0.523 0.00 0.00 -ATOM 4970 H1 H2O C1657 6.058 55.916 -0.001 0.00 0.00 -ATOM 4971 H2 H2O C1657 4.598 56.567 0.337 0.00 0.00 -ATOM 4972 O1 H2O C1658 47.280 34.295 49.235 0.00 0.00 -ATOM 4973 H1 H2O C1658 46.905 35.148 49.601 0.00 0.00 -ATOM 4974 H2 H2O C1658 47.163 33.565 49.909 0.00 0.00 -ATOM 4975 O1 H2O C1659 42.482 58.264 29.864 0.00 0.00 -ATOM 4976 H1 H2O C1659 41.743 58.891 30.109 0.00 0.00 -ATOM 4977 H2 H2O C1659 43.030 58.060 30.675 0.00 0.00 -ATOM 4978 O1 H2O C1660 32.288 16.217 51.970 0.00 0.00 -ATOM 4979 H1 H2O C1660 32.234 16.029 52.951 0.00 0.00 -ATOM 4980 H2 H2O C1660 31.600 15.674 51.489 0.00 0.00 -ATOM 4981 O1 H2O C1661 51.627 36.059 39.789 0.00 0.00 -ATOM 4982 H1 H2O C1661 51.454 35.758 38.851 0.00 0.00 -ATOM 4983 H2 H2O C1661 50.797 36.469 40.166 0.00 0.00 -ATOM 4984 O1 H2O C1662 26.558 11.246 17.783 0.00 0.00 -ATOM 4985 H1 H2O C1662 26.616 12.224 17.987 0.00 0.00 -ATOM 4986 H2 H2O C1662 26.512 10.730 18.639 0.00 0.00 -ATOM 4987 O1 H2O C1663 1.939 42.246 13.871 0.00 0.00 -ATOM 4988 H1 H2O C1663 1.555 42.824 14.591 0.00 0.00 -ATOM 4989 H2 H2O C1663 1.794 42.680 12.982 0.00 0.00 -ATOM 4990 O1 H2O C1664 57.987 6.234 43.453 0.00 0.00 -ATOM 4991 H1 H2O C1664 57.047 6.564 43.546 0.00 0.00 -ATOM 4992 H2 H2O C1664 58.481 6.391 44.308 0.00 0.00 -ATOM 4993 O1 H2O C1665 11.848 49.914 54.721 0.00 0.00 -ATOM 4994 H1 H2O C1665 12.458 49.459 55.370 0.00 0.00 -ATOM 4995 H2 H2O C1665 12.353 50.135 53.887 0.00 0.00 -ATOM 4996 O1 H2O C1666 10.393 50.464 6.326 0.00 0.00 -ATOM 4997 H1 H2O C1666 10.367 51.293 6.885 0.00 0.00 -ATOM 4998 H2 H2O C1666 9.673 49.837 6.625 0.00 0.00 -ATOM 4999 O1 H2O C1667 8.237 11.734 6.710 0.00 0.00 -ATOM 5000 H1 H2O C1667 7.573 11.009 6.524 0.00 0.00 -ATOM 5001 H2 H2O C1667 8.721 11.531 7.562 0.00 0.00 -ATOM 5002 O1 H2O C1668 40.084 57.952 14.972 0.00 0.00 -ATOM 5003 H1 H2O C1668 39.693 57.080 14.678 0.00 0.00 -ATOM 5004 H2 H2O C1668 40.675 58.313 14.250 0.00 0.00 -ATOM 5005 O1 H2O C1669 18.229 5.529 16.989 0.00 0.00 -ATOM 5006 H1 H2O C1669 18.925 4.815 16.914 0.00 0.00 -ATOM 5007 H2 H2O C1669 17.357 5.118 17.257 0.00 0.00 -ATOM 5008 O1 H2O C1670 16.820 58.675 1.243 0.00 0.00 -ATOM 5009 H1 H2O C1670 16.096 59.142 0.735 0.00 0.00 -ATOM 5010 H2 H2O C1670 17.680 58.744 0.737 0.00 0.00 -ATOM 5011 O1 H2O C1671 19.407 38.854 8.951 0.00 0.00 -ATOM 5012 H1 H2O C1671 18.783 38.073 8.989 0.00 0.00 -ATOM 5013 H2 H2O C1671 20.064 38.791 9.702 0.00 0.00 -ATOM 5014 O1 H2O C1672 30.902 21.833 42.132 0.00 0.00 -ATOM 5015 H1 H2O C1672 31.550 22.190 42.805 0.00 0.00 -ATOM 5016 H2 H2O C1672 30.095 22.422 42.102 0.00 0.00 -ATOM 5017 O1 H2O C1673 49.517 17.687 13.030 0.00 0.00 -ATOM 5018 H1 H2O C1673 50.027 18.498 12.744 0.00 0.00 -ATOM 5019 H2 H2O C1673 48.595 17.955 13.311 0.00 0.00 -ATOM 5020 O1 H2O C1674 33.421 34.722 32.241 0.00 0.00 -ATOM 5021 H1 H2O C1674 33.170 33.869 31.783 0.00 0.00 -ATOM 5022 H2 H2O C1674 32.637 35.342 32.242 0.00 0.00 -ATOM 5023 O1 H2O C1675 35.591 24.820 18.740 0.00 0.00 -ATOM 5024 H1 H2O C1675 36.000 24.520 17.878 0.00 0.00 -ATOM 5025 H2 H2O C1675 36.196 24.577 19.498 0.00 0.00 -ATOM 5026 O1 H2O C1676 3.395 33.346 51.891 0.00 0.00 -ATOM 5027 H1 H2O C1676 4.278 33.667 52.235 0.00 0.00 -ATOM 5028 H2 H2O C1676 3.528 32.503 51.370 0.00 0.00 -ATOM 5029 O1 H2O C1677 19.397 8.506 2.523 0.00 0.00 -ATOM 5030 H1 H2O C1677 18.726 7.935 2.050 0.00 0.00 -ATOM 5031 H2 H2O C1677 20.311 8.309 2.169 0.00 0.00 -ATOM 5032 O1 H2O C1678 9.020 26.861 58.982 0.00 0.00 -ATOM 5033 H1 H2O C1678 8.499 26.034 59.197 0.00 0.00 -ATOM 5034 H2 H2O C1678 9.749 26.980 59.656 0.00 0.00 -ATOM 5035 O1 H2O C1679 4.641 4.428 2.983 0.00 0.00 -ATOM 5036 H1 H2O C1679 4.826 3.450 3.080 0.00 0.00 -ATOM 5037 H2 H2O C1679 3.858 4.560 2.374 0.00 0.00 -ATOM 5038 O1 H2O C1680 56.490 40.378 26.489 0.00 0.00 -ATOM 5039 H1 H2O C1680 57.099 39.708 26.064 0.00 0.00 -ATOM 5040 H2 H2O C1680 56.235 41.071 25.815 0.00 0.00 -ATOM 5041 O1 H2O C1681 25.364 1.373 52.771 0.00 0.00 -ATOM 5042 H1 H2O C1681 26.078 1.753 52.182 0.00 0.00 -ATOM 5043 H2 H2O C1681 25.542 0.400 52.924 0.00 0.00 -ATOM 5044 O1 H2O C1682 27.279 11.029 28.562 0.00 0.00 -ATOM 5045 H1 H2O C1682 27.652 10.105 28.652 0.00 0.00 -ATOM 5046 H2 H2O C1682 27.297 11.484 29.452 0.00 0.00 -ATOM 5047 O1 H2O C1683 54.648 12.853 13.467 0.00 0.00 -ATOM 5048 H1 H2O C1683 54.915 13.357 14.288 0.00 0.00 -ATOM 5049 H2 H2O C1683 55.422 12.310 13.142 0.00 0.00 -ATOM 5050 O1 H2O C1684 27.753 3.310 11.562 0.00 0.00 -ATOM 5051 H1 H2O C1684 27.534 3.204 12.532 0.00 0.00 -ATOM 5052 H2 H2O C1684 28.738 3.203 11.429 0.00 0.00 -ATOM 5053 O1 H2O C1685 41.828 47.918 18.048 0.00 0.00 -ATOM 5054 H1 H2O C1685 41.858 48.094 17.063 0.00 0.00 -ATOM 5055 H2 H2O C1685 41.457 48.720 18.518 0.00 0.00 -ATOM 5056 O1 H2O C1686 24.292 38.235 8.500 0.00 0.00 -ATOM 5057 H1 H2O C1686 23.435 38.281 7.986 0.00 0.00 -ATOM 5058 H2 H2O C1686 24.828 37.452 8.185 0.00 0.00 -ATOM 5059 O1 H2O C1687 32.899 15.148 1.874 0.00 0.00 -ATOM 5060 H1 H2O C1687 31.955 14.854 1.730 0.00 0.00 -ATOM 5061 H2 H2O C1687 33.267 14.699 2.689 0.00 0.00 -ATOM 5062 O1 H2O C1688 19.151 38.259 46.828 0.00 0.00 -ATOM 5063 H1 H2O C1688 19.375 37.425 47.333 0.00 0.00 -ATOM 5064 H2 H2O C1688 18.331 38.105 46.277 0.00 0.00 -ATOM 5065 O1 H2O C1689 36.658 24.597 51.139 0.00 0.00 -ATOM 5066 H1 H2O C1689 36.205 24.103 51.881 0.00 0.00 -ATOM 5067 H2 H2O C1689 36.501 24.117 50.275 0.00 0.00 -ATOM 5068 O1 H2O C1690 3.015 31.528 12.657 0.00 0.00 -ATOM 5069 H1 H2O C1690 3.226 31.839 13.584 0.00 0.00 -ATOM 5070 H2 H2O C1690 2.542 32.257 12.161 0.00 0.00 -ATOM 5071 O1 H2O C1691 38.523 31.482 18.162 0.00 0.00 -ATOM 5072 H1 H2O C1691 39.391 30.986 18.141 0.00 0.00 -ATOM 5073 H2 H2O C1691 38.145 31.532 17.238 0.00 0.00 -ATOM 5074 O1 H2O C1692 57.522 23.460 28.829 0.00 0.00 -ATOM 5075 H1 H2O C1692 56.850 24.199 28.764 0.00 0.00 -ATOM 5076 H2 H2O C1692 58.002 23.369 27.956 0.00 0.00 -ATOM 5077 O1 H2O C1693 13.149 53.165 49.872 0.00 0.00 -ATOM 5078 H1 H2O C1693 13.415 54.126 49.957 0.00 0.00 -ATOM 5079 H2 H2O C1693 12.759 52.851 50.738 0.00 0.00 -ATOM 5080 O1 H2O C1694 3.915 43.468 16.000 0.00 0.00 -ATOM 5081 H1 H2O C1694 3.803 44.445 15.816 0.00 0.00 -ATOM 5082 H2 H2O C1694 4.886 43.233 15.976 0.00 0.00 -ATOM 5083 O1 H2O C1695 54.921 33.066 17.645 0.00 0.00 -ATOM 5084 H1 H2O C1695 55.133 32.108 17.452 0.00 0.00 -ATOM 5085 H2 H2O C1695 55.764 33.603 17.632 0.00 0.00 -ATOM 5086 O1 H2O C1696 34.027 46.688 27.889 0.00 0.00 -ATOM 5087 H1 H2O C1696 34.464 45.881 28.286 0.00 0.00 -ATOM 5088 H2 H2O C1696 33.743 46.486 26.952 0.00 0.00 -ATOM 5089 O1 H2O C1697 21.777 46.721 27.889 0.00 0.00 -ATOM 5090 H1 H2O C1697 21.794 47.412 28.611 0.00 0.00 -ATOM 5091 H2 H2O C1697 20.836 46.416 27.743 0.00 0.00 -ATOM 5092 O1 H2O C1698 59.169 57.734 22.524 0.00 0.00 -ATOM 5093 H1 H2O C1698 59.813 58.419 22.864 0.00 0.00 -ATOM 5094 H2 H2O C1698 58.680 57.325 23.294 0.00 0.00 -ATOM 5095 O1 H2O C1699 25.021 55.177 9.461 0.00 0.00 -ATOM 5096 H1 H2O C1699 24.569 56.059 9.595 0.00 0.00 -ATOM 5097 H2 H2O C1699 26.006 55.283 9.598 0.00 0.00 -ATOM 5098 O1 H2O C1700 14.749 50.943 57.663 0.00 0.00 -ATOM 5099 H1 H2O C1700 15.310 50.253 58.120 0.00 0.00 -ATOM 5100 H2 H2O C1700 14.896 50.891 56.676 0.00 0.00 -ATOM 5101 O1 H2O C1701 15.742 5.864 16.741 0.00 0.00 -ATOM 5102 H1 H2O C1701 14.752 5.767 16.846 0.00 0.00 -ATOM 5103 H2 H2O C1701 16.033 5.416 15.896 0.00 0.00 -ATOM 5104 O1 H2O C1702 1.804 39.016 43.685 0.00 0.00 -ATOM 5105 H1 H2O C1702 1.293 39.704 43.170 0.00 0.00 -ATOM 5106 H2 H2O C1702 2.411 38.519 43.065 0.00 0.00 -ATOM 5107 O1 H2O C1703 23.412 33.826 40.644 0.00 0.00 -ATOM 5108 H1 H2O C1703 23.830 33.795 39.737 0.00 0.00 -ATOM 5109 H2 H2O C1703 24.086 33.556 41.332 0.00 0.00 -ATOM 5110 O1 H2O C1704 13.824 9.751 51.710 0.00 0.00 -ATOM 5111 H1 H2O C1704 14.788 9.540 51.868 0.00 0.00 -ATOM 5112 H2 H2O C1704 13.258 8.997 52.043 0.00 0.00 -ATOM 5113 O1 H2O C1705 12.217 13.232 21.591 0.00 0.00 -ATOM 5114 H1 H2O C1705 11.252 13.002 21.461 0.00 0.00 -ATOM 5115 H2 H2O C1705 12.295 13.991 22.237 0.00 0.00 -ATOM 5116 O1 H2O C1706 38.440 47.823 18.195 0.00 0.00 -ATOM 5117 H1 H2O C1706 39.109 47.402 17.581 0.00 0.00 -ATOM 5118 H2 H2O C1706 37.738 48.287 17.653 0.00 0.00 -ATOM 5119 O1 H2O C1707 23.120 51.878 59.427 0.00 0.00 -ATOM 5120 H1 H2O C1707 23.361 52.297 60.302 0.00 0.00 -ATOM 5121 H2 H2O C1707 23.668 51.052 59.291 0.00 0.00 -ATOM 5122 O1 H2O C1708 12.796 59.520 27.832 0.00 0.00 -ATOM 5123 H1 H2O C1708 13.137 59.297 28.745 0.00 0.00 -ATOM 5124 H2 H2O C1708 12.851 58.709 27.249 0.00 0.00 -ATOM 5125 O1 H2O C1709 20.703 35.464 43.608 0.00 0.00 -ATOM 5126 H1 H2O C1709 20.943 34.517 43.394 0.00 0.00 -ATOM 5127 H2 H2O C1709 20.857 35.635 44.581 0.00 0.00 -ATOM 5128 O1 H2O C1710 26.400 48.421 14.229 0.00 0.00 -ATOM 5129 H1 H2O C1710 26.327 49.403 14.405 0.00 0.00 -ATOM 5130 H2 H2O C1710 26.057 48.220 13.311 0.00 0.00 -ATOM 5131 O1 H2O C1711 11.466 42.950 36.307 0.00 0.00 -ATOM 5132 H1 H2O C1711 12.438 43.059 36.095 0.00 0.00 -ATOM 5133 H2 H2O C1711 11.364 42.673 37.263 0.00 0.00 -ATOM 5134 O1 H2O C1712 18.414 4.727 13.733 0.00 0.00 -ATOM 5135 H1 H2O C1712 19.102 4.525 13.037 0.00 0.00 -ATOM 5136 H2 H2O C1712 17.665 4.068 13.662 0.00 0.00 -ATOM 5137 O1 H2O C1713 34.473 25.607 23.390 0.00 0.00 -ATOM 5138 H1 H2O C1713 34.379 26.541 23.735 0.00 0.00 -ATOM 5139 H2 H2O C1713 35.173 25.126 23.917 0.00 0.00 -ATOM 5140 O1 H2O C1714 52.102 37.767 15.790 0.00 0.00 -ATOM 5141 H1 H2O C1714 52.777 37.819 15.054 0.00 0.00 -ATOM 5142 H2 H2O C1714 52.002 36.816 16.085 0.00 0.00 -ATOM 5143 O1 H2O C1715 23.076 8.654 39.234 0.00 0.00 -ATOM 5144 H1 H2O C1715 23.581 9.346 39.751 0.00 0.00 -ATOM 5145 H2 H2O C1715 22.902 7.862 39.822 0.00 0.00 -ATOM 5146 O1 H2O C1716 47.239 36.593 1.297 0.00 0.00 -ATOM 5147 H1 H2O C1716 46.305 36.460 1.630 0.00 0.00 -ATOM 5148 H2 H2O C1716 47.887 36.328 2.012 0.00 0.00 -ATOM 5149 O1 H2O C1717 52.583 55.897 37.035 0.00 0.00 -ATOM 5150 H1 H2O C1717 52.386 56.078 37.998 0.00 0.00 -ATOM 5151 H2 H2O C1717 53.548 56.082 36.851 0.00 0.00 -ATOM 5152 O1 H2O C1718 44.890 43.097 16.407 0.00 0.00 -ATOM 5153 H1 H2O C1718 44.689 43.993 16.803 0.00 0.00 -ATOM 5154 H2 H2O C1718 44.982 42.422 17.139 0.00 0.00 -ATOM 5155 O1 H2O C1719 0.044 35.532 5.974 0.00 0.00 -ATOM 5156 H1 H2O C1719 0.249 36.294 6.587 0.00 0.00 -ATOM 5157 H2 H2O C1719 0.718 34.805 6.108 0.00 0.00 -ATOM 5158 O1 H2O C1720 54.326 46.452 32.421 0.00 0.00 -ATOM 5159 H1 H2O C1720 54.552 46.046 33.307 0.00 0.00 -ATOM 5160 H2 H2O C1720 55.067 46.273 31.773 0.00 0.00 -ATOM 5161 O1 H2O C1721 19.703 10.657 22.944 0.00 0.00 -ATOM 5162 H1 H2O C1721 20.311 11.374 23.287 0.00 0.00 -ATOM 5163 H2 H2O C1721 19.415 10.073 23.703 0.00 0.00 -ATOM 5164 O1 H2O C1722 15.885 10.684 6.208 0.00 0.00 -ATOM 5165 H1 H2O C1722 16.186 9.777 5.914 0.00 0.00 -ATOM 5166 H2 H2O C1722 16.078 11.349 5.487 0.00 0.00 -ATOM 5167 O1 H2O C1723 42.665 40.933 54.245 0.00 0.00 -ATOM 5168 H1 H2O C1723 41.845 40.989 53.675 0.00 0.00 -ATOM 5169 H2 H2O C1723 42.934 41.851 54.533 0.00 0.00 -ATOM 5170 O1 H2O C1724 48.193 29.066 19.342 0.00 0.00 -ATOM 5171 H1 H2O C1724 47.914 30.027 19.324 0.00 0.00 -ATOM 5172 H2 H2O C1724 47.509 28.512 18.867 0.00 0.00 -ATOM 5173 O1 H2O C1725 59.135 51.896 30.181 0.00 0.00 -ATOM 5174 H1 H2O C1725 59.149 50.898 30.123 0.00 0.00 -ATOM 5175 H2 H2O C1725 59.528 52.185 31.054 0.00 0.00 -ATOM 5176 O1 H2O C1726 29.971 1.924 14.192 0.00 0.00 -ATOM 5177 H1 H2O C1726 29.461 2.397 14.912 0.00 0.00 -ATOM 5178 H2 H2O C1726 30.928 1.831 14.468 0.00 0.00 -ATOM 5179 O1 H2O C1727 36.684 4.828 33.936 0.00 0.00 -ATOM 5180 H1 H2O C1727 37.381 5.168 34.567 0.00 0.00 -ATOM 5181 H2 H2O C1727 36.196 5.600 33.530 0.00 0.00 -ATOM 5182 O1 H2O C1728 12.812 32.462 29.036 0.00 0.00 -ATOM 5183 H1 H2O C1728 13.481 32.105 28.384 0.00 0.00 -ATOM 5184 H2 H2O C1728 12.940 32.017 29.923 0.00 0.00 -ATOM 5185 O1 H2O C1729 32.415 21.873 1.034 0.00 0.00 -ATOM 5186 H1 H2O C1729 32.612 21.158 1.705 0.00 0.00 -ATOM 5187 H2 H2O C1729 31.626 21.603 0.482 0.00 0.00 -ATOM 5188 O1 H2O C1730 11.636 25.534 58.577 0.00 0.00 -ATOM 5189 H1 H2O C1730 11.850 25.832 57.647 0.00 0.00 -ATOM 5190 H2 H2O C1730 11.126 26.254 59.048 0.00 0.00 -ATOM 5191 O1 H2O C1731 30.567 42.489 28.406 0.00 0.00 -ATOM 5192 H1 H2O C1731 30.260 41.538 28.445 0.00 0.00 -ATOM 5193 H2 H2O C1731 30.992 42.737 29.278 0.00 0.00 -ATOM 5194 O1 H2O C1732 13.107 49.442 21.324 0.00 0.00 -ATOM 5195 H1 H2O C1732 13.514 48.541 21.476 0.00 0.00 -ATOM 5196 H2 H2O C1732 13.034 49.926 22.198 0.00 0.00 -ATOM 5197 O1 H2O C1733 3.334 25.975 4.828 0.00 0.00 -ATOM 5198 H1 H2O C1733 4.064 25.639 4.233 0.00 0.00 -ATOM 5199 H2 H2O C1733 2.456 25.609 4.518 0.00 0.00 -ATOM 5200 O1 H2O C1734 13.236 42.804 50.801 0.00 0.00 -ATOM 5201 H1 H2O C1734 13.662 43.479 51.403 0.00 0.00 -ATOM 5202 H2 H2O C1734 12.539 42.298 51.309 0.00 0.00 -ATOM 5203 O1 H2O C1735 51.401 23.391 22.096 0.00 0.00 -ATOM 5204 H1 H2O C1735 52.283 23.757 21.797 0.00 0.00 -ATOM 5205 H2 H2O C1735 51.522 22.894 22.956 0.00 0.00 -ATOM 5206 O1 H2O C1736 43.277 41.396 9.230 0.00 0.00 -ATOM 5207 H1 H2O C1736 42.767 42.245 9.364 0.00 0.00 -ATOM 5208 H2 H2O C1736 43.726 41.139 10.086 0.00 0.00 -ATOM 5209 O1 H2O C1737 3.169 46.933 27.829 0.00 0.00 -ATOM 5210 H1 H2O C1737 3.337 47.511 28.627 0.00 0.00 -ATOM 5211 H2 H2O C1737 2.192 46.934 27.616 0.00 0.00 -ATOM 5212 O1 H2O C1738 39.353 17.657 54.792 0.00 0.00 -ATOM 5213 H1 H2O C1738 39.755 16.843 54.371 0.00 0.00 -ATOM 5214 H2 H2O C1738 39.104 18.312 54.079 0.00 0.00 -ATOM 5215 O1 H2O C1739 25.150 4.760 19.088 0.00 0.00 -ATOM 5216 H1 H2O C1739 24.390 5.242 19.525 0.00 0.00 -ATOM 5217 H2 H2O C1739 25.925 4.720 19.718 0.00 0.00 -ATOM 5218 O1 H2O C1740 22.737 41.959 39.670 0.00 0.00 -ATOM 5219 H1 H2O C1740 22.467 42.899 39.460 0.00 0.00 -ATOM 5220 H2 H2O C1740 22.997 41.894 40.633 0.00 0.00 -ATOM 5221 O1 H2O C1741 23.932 8.191 45.406 0.00 0.00 -ATOM 5222 H1 H2O C1741 23.937 9.159 45.656 0.00 0.00 -ATOM 5223 H2 H2O C1741 24.339 7.654 46.144 0.00 0.00 -ATOM 5224 O1 H2O C1742 47.873 45.140 34.562 0.00 0.00 -ATOM 5225 H1 H2O C1742 47.048 45.197 34.001 0.00 0.00 -ATOM 5226 H2 H2O C1742 48.023 44.191 34.839 0.00 0.00 -ATOM 5227 O1 H2O C1743 47.467 20.314 5.539 0.00 0.00 -ATOM 5228 H1 H2O C1743 48.113 20.550 6.264 0.00 0.00 -ATOM 5229 H2 H2O C1743 47.045 19.430 5.743 0.00 0.00 -ATOM 5230 O1 H2O C1744 19.518 51.102 10.482 0.00 0.00 -ATOM 5231 H1 H2O C1744 19.000 51.247 11.325 0.00 0.00 -ATOM 5232 H2 H2O C1744 20.496 51.096 10.689 0.00 0.00 -ATOM 5233 O1 H2O C1745 39.682 33.017 37.512 0.00 0.00 -ATOM 5234 H1 H2O C1745 40.041 33.129 38.439 0.00 0.00 -ATOM 5235 H2 H2O C1745 39.400 33.907 37.154 0.00 0.00 -ATOM 5236 O1 H2O C1746 52.817 27.108 20.364 0.00 0.00 -ATOM 5237 H1 H2O C1746 52.190 27.872 20.212 0.00 0.00 -ATOM 5238 H2 H2O C1746 53.719 27.461 20.612 0.00 0.00 -ATOM 5239 O1 H2O C1747 30.416 45.031 6.113 0.00 0.00 -ATOM 5240 H1 H2O C1747 30.957 44.371 5.592 0.00 0.00 -ATOM 5241 H2 H2O C1747 30.096 44.605 6.960 0.00 0.00 -ATOM 5242 O1 H2O C1748 10.557 11.260 6.704 0.00 0.00 -ATOM 5243 H1 H2O C1748 10.972 11.753 5.939 0.00 0.00 -ATOM 5244 H2 H2O C1748 11.019 10.381 6.824 0.00 0.00 -ATOM 5245 O1 H2O C1749 26.671 34.908 22.247 0.00 0.00 -ATOM 5246 H1 H2O C1749 26.880 34.318 23.027 0.00 0.00 -ATOM 5247 H2 H2O C1749 27.493 35.410 21.980 0.00 0.00 -ATOM 5248 O1 H2O C1750 51.684 42.584 48.728 0.00 0.00 -ATOM 5249 H1 H2O C1750 52.349 43.151 48.241 0.00 0.00 -ATOM 5250 H2 H2O C1750 50.949 43.162 49.082 0.00 0.00 -ATOM 5251 O1 H2O C1751 16.180 33.314 28.245 0.00 0.00 -ATOM 5252 H1 H2O C1751 15.826 32.512 28.726 0.00 0.00 -ATOM 5253 H2 H2O C1751 15.825 33.325 27.310 0.00 0.00 -ATOM 5254 O1 H2O C1752 51.714 44.604 35.467 0.00 0.00 -ATOM 5255 H1 H2O C1752 51.395 43.944 36.147 0.00 0.00 -ATOM 5256 H2 H2O C1752 51.631 45.530 35.837 0.00 0.00 -ATOM 5257 O1 H2O C1753 58.101 16.393 56.691 0.00 0.00 -ATOM 5258 H1 H2O C1753 58.858 16.781 56.165 0.00 0.00 -ATOM 5259 H2 H2O C1753 57.896 15.475 56.353 0.00 0.00 -ATOM 5260 O1 H2O C1754 9.252 39.648 12.347 0.00 0.00 -ATOM 5261 H1 H2O C1754 10.228 39.464 12.230 0.00 0.00 -ATOM 5262 H2 H2O C1754 8.722 38.885 11.977 0.00 0.00 -ATOM 5263 O1 H2O C1755 25.098 16.191 47.635 0.00 0.00 -ATOM 5264 H1 H2O C1755 25.193 16.797 46.846 0.00 0.00 -ATOM 5265 H2 H2O C1755 25.805 15.485 47.601 0.00 0.00 -ATOM 5266 O1 H2O C1756 47.735 48.377 17.998 0.00 0.00 -ATOM 5267 H1 H2O C1756 48.485 47.852 18.401 0.00 0.00 -ATOM 5268 H2 H2O C1756 47.976 48.637 17.063 0.00 0.00 -ATOM 5269 O1 H2O C1757 43.473 2.186 38.437 0.00 0.00 -ATOM 5270 H1 H2O C1757 43.910 1.342 38.128 0.00 0.00 -ATOM 5271 H2 H2O C1757 43.649 2.915 37.775 0.00 0.00 -ATOM 5272 O1 H2O C1758 28.833 6.668 20.399 0.00 0.00 -ATOM 5273 H1 H2O C1758 29.419 7.442 20.638 0.00 0.00 -ATOM 5274 H2 H2O C1758 29.336 5.814 20.536 0.00 0.00 -ATOM 5275 O1 H2O C1759 8.876 11.694 38.848 0.00 0.00 -ATOM 5276 H1 H2O C1759 8.349 12.522 38.658 0.00 0.00 -ATOM 5277 H2 H2O C1759 9.648 11.638 38.215 0.00 0.00 -ATOM 5278 O1 H2O C1760 53.959 44.838 28.649 0.00 0.00 -ATOM 5279 H1 H2O C1760 53.455 44.709 29.503 0.00 0.00 -ATOM 5280 H2 H2O C1760 53.341 44.698 27.874 0.00 0.00 -ATOM 5281 O1 H2O C1761 47.149 22.552 35.761 0.00 0.00 -ATOM 5282 H1 H2O C1761 47.408 22.134 34.890 0.00 0.00 -ATOM 5283 H2 H2O C1761 46.632 21.891 36.306 0.00 0.00 -ATOM 5284 O1 H2O C1762 13.073 47.521 32.478 0.00 0.00 -ATOM 5285 H1 H2O C1762 13.381 48.270 31.891 0.00 0.00 -ATOM 5286 H2 H2O C1762 12.127 47.685 32.758 0.00 0.00 -ATOM 5287 O1 H2O C1763 53.959 16.351 54.304 0.00 0.00 -ATOM 5288 H1 H2O C1763 53.631 15.920 55.144 0.00 0.00 -ATOM 5289 H2 H2O C1763 54.899 16.665 54.436 0.00 0.00 -ATOM 5290 O1 H2O C1764 56.684 11.470 10.542 0.00 0.00 -ATOM 5291 H1 H2O C1764 55.892 11.255 9.971 0.00 0.00 -ATOM 5292 H2 H2O C1764 57.465 10.917 10.251 0.00 0.00 -ATOM 5293 O1 H2O C1765 31.398 0.588 35.808 0.00 0.00 -ATOM 5294 H1 H2O C1765 30.644 0.311 35.212 0.00 0.00 -ATOM 5295 H2 H2O C1765 31.079 1.293 36.441 0.00 0.00 -ATOM 5296 O1 H2O C1766 22.655 59.592 57.118 0.00 0.00 -ATOM 5297 H1 H2O C1766 22.401 60.411 57.633 0.00 0.00 -ATOM 5298 H2 H2O C1766 22.623 58.795 57.721 0.00 0.00 -ATOM 5299 O1 H2O C1767 10.199 56.957 52.786 0.00 0.00 -ATOM 5300 H1 H2O C1767 9.727 57.304 53.597 0.00 0.00 -ATOM 5301 H2 H2O C1767 9.527 56.737 52.078 0.00 0.00 -ATOM 5302 O1 H2O C1768 27.161 21.747 2.287 0.00 0.00 -ATOM 5303 H1 H2O C1768 27.566 20.913 2.662 0.00 0.00 -ATOM 5304 H2 H2O C1768 27.666 22.542 2.624 0.00 0.00 -ATOM 5305 O1 H2O C1769 32.538 59.418 55.119 0.00 0.00 -ATOM 5306 H1 H2O C1769 31.737 59.329 55.712 0.00 0.00 -ATOM 5307 H2 H2O C1769 33.236 58.759 55.401 0.00 0.00 -ATOM 5308 O1 H2O C1770 39.970 34.829 24.890 0.00 0.00 -ATOM 5309 H1 H2O C1770 40.770 34.230 24.923 0.00 0.00 -ATOM 5310 H2 H2O C1770 39.415 34.689 25.710 0.00 0.00 -ATOM 5311 O1 H2O C1771 0.623 27.209 33.814 0.00 0.00 -ATOM 5312 H1 H2O C1771 1.416 27.775 33.588 0.00 0.00 -ATOM 5313 H2 H2O C1771 0.340 27.394 34.755 0.00 0.00 -ATOM 5314 O1 H2O C1772 47.190 34.620 19.625 0.00 0.00 -ATOM 5315 H1 H2O C1772 47.694 33.976 19.049 0.00 0.00 -ATOM 5316 H2 H2O C1772 47.579 34.617 20.547 0.00 0.00 -ATOM 5317 O1 H2O C1773 28.626 31.069 19.173 0.00 0.00 -ATOM 5318 H1 H2O C1773 27.728 30.991 18.740 0.00 0.00 -ATOM 5319 H2 H2O C1773 29.187 30.280 18.922 0.00 0.00 -ATOM 5320 O1 H2O C1774 22.321 56.941 57.125 0.00 0.00 -ATOM 5321 H1 H2O C1774 21.470 56.944 57.649 0.00 0.00 -ATOM 5322 H2 H2O C1774 22.125 57.152 56.167 0.00 0.00 -ATOM 5323 O1 H2O C1775 43.447 46.425 35.261 0.00 0.00 -ATOM 5324 H1 H2O C1775 42.536 46.512 34.856 0.00 0.00 -ATOM 5325 H2 H2O C1775 43.975 45.747 34.750 0.00 0.00 -ATOM 5326 O1 H2O C1776 54.200 49.782 57.043 0.00 0.00 -ATOM 5327 H1 H2O C1776 53.253 49.741 57.362 0.00 0.00 -ATOM 5328 H2 H2O C1776 54.424 48.938 56.555 0.00 0.00 -ATOM 5329 O1 H2O C1777 2.622 3.307 48.435 0.00 0.00 -ATOM 5330 H1 H2O C1777 1.769 2.799 48.563 0.00 0.00 -ATOM 5331 H2 H2O C1777 3.088 2.973 47.615 0.00 0.00 -ATOM 5332 O1 H2O C1778 34.765 40.525 31.975 0.00 0.00 -ATOM 5333 H1 H2O C1778 34.137 41.300 31.894 0.00 0.00 -ATOM 5334 H2 H2O C1778 35.665 40.855 32.261 0.00 0.00 -ATOM 5335 O1 H2O C1779 31.177 54.832 12.210 0.00 0.00 -ATOM 5336 H1 H2O C1779 31.028 55.736 11.809 0.00 0.00 -ATOM 5337 H2 H2O C1779 30.306 54.463 12.533 0.00 0.00 -ATOM 5338 O1 H2O C1780 37.178 44.995 5.110 0.00 0.00 -ATOM 5339 H1 H2O C1780 37.284 45.318 4.170 0.00 0.00 -ATOM 5340 H2 H2O C1780 36.227 45.112 5.397 0.00 0.00 -ATOM 5341 O1 H2O C1781 30.803 55.902 0.462 0.00 0.00 -ATOM 5342 H1 H2O C1781 30.509 56.355 1.304 0.00 0.00 -ATOM 5343 H2 H2O C1781 30.530 56.454 -0.326 0.00 0.00 -ATOM 5344 O1 H2O C1782 3.305 32.926 12.336 0.00 0.00 -ATOM 5345 H1 H2O C1782 4.017 32.910 11.635 0.00 0.00 -ATOM 5346 H2 H2O C1782 2.767 32.085 12.284 0.00 0.00 -ATOM 5347 O1 H2O C1783 6.207 38.212 12.911 0.00 0.00 -ATOM 5348 H1 H2O C1783 6.912 37.582 12.584 0.00 0.00 -ATOM 5349 H2 H2O C1783 5.881 37.910 13.808 0.00 0.00 -ATOM 5350 O1 H2O C1784 22.177 53.599 43.932 0.00 0.00 -ATOM 5351 H1 H2O C1784 21.384 53.490 43.332 0.00 0.00 -ATOM 5352 H2 H2O C1784 22.244 52.811 44.544 0.00 0.00 -ATOM 5353 O1 H2O C1785 35.400 36.729 24.060 0.00 0.00 -ATOM 5354 H1 H2O C1785 35.063 36.108 23.352 0.00 0.00 -ATOM 5355 H2 H2O C1785 34.653 37.317 24.371 0.00 0.00 -ATOM 5356 O1 H2O C1786 1.422 35.712 7.287 0.00 0.00 -ATOM 5357 H1 H2O C1786 2.017 36.467 7.562 0.00 0.00 -ATOM 5358 H2 H2O C1786 0.632 36.073 6.792 0.00 0.00 -ATOM 5359 O1 H2O C1787 0.672 29.403 16.861 0.00 0.00 -ATOM 5360 H1 H2O C1787 0.347 28.489 17.104 0.00 0.00 -ATOM 5361 H2 H2O C1787 0.627 29.997 17.665 0.00 0.00 -ATOM 5362 O1 H2O C1788 53.793 56.909 53.191 0.00 0.00 -ATOM 5363 H1 H2O C1788 53.586 57.866 52.986 0.00 0.00 -ATOM 5364 H2 H2O C1788 53.298 56.631 54.014 0.00 0.00 -ATOM 5365 O1 H2O C1789 52.734 30.799 55.015 0.00 0.00 -ATOM 5366 H1 H2O C1789 53.162 31.697 54.906 0.00 0.00 -ATOM 5367 H2 H2O C1789 52.879 30.474 55.950 0.00 0.00 -ATOM 5368 O1 H2O C1790 9.204 47.503 9.681 0.00 0.00 -ATOM 5369 H1 H2O C1790 9.160 47.641 8.691 0.00 0.00 -ATOM 5370 H2 H2O C1790 8.288 47.599 10.071 0.00 0.00 -ATOM 5371 O1 H2O C1791 50.043 45.511 10.210 0.00 0.00 -ATOM 5372 H1 H2O C1791 49.728 44.997 9.413 0.00 0.00 -ATOM 5373 H2 H2O C1791 49.557 45.195 11.025 0.00 0.00 -ATOM 5374 O1 H2O C1792 35.210 54.027 53.111 0.00 0.00 -ATOM 5375 H1 H2O C1792 35.661 53.598 53.894 0.00 0.00 -ATOM 5376 H2 H2O C1792 35.900 54.301 52.440 0.00 0.00 -ATOM 5377 O1 H2O C1793 47.727 16.471 9.535 0.00 0.00 -ATOM 5378 H1 H2O C1793 47.780 15.962 10.394 0.00 0.00 -ATOM 5379 H2 H2O C1793 47.399 15.866 8.809 0.00 0.00 -ATOM 5380 O1 H2O C1794 59.436 20.569 42.706 0.00 0.00 -ATOM 5381 H1 H2O C1794 59.040 21.218 42.057 0.00 0.00 -ATOM 5382 H2 H2O C1794 60.134 20.020 42.246 0.00 0.00 -ATOM 5383 O1 H2O C1795 46.474 58.064 46.831 0.00 0.00 -ATOM 5384 H1 H2O C1795 45.636 57.979 46.292 0.00 0.00 -ATOM 5385 H2 H2O C1795 46.410 58.867 47.423 0.00 0.00 -ATOM 5386 O1 H2O C1796 7.058 27.339 28.173 0.00 0.00 -ATOM 5387 H1 H2O C1796 7.981 27.502 28.524 0.00 0.00 -ATOM 5388 H2 H2O C1796 6.654 28.207 27.885 0.00 0.00 -ATOM 5389 O1 H2O C1797 2.930 14.573 53.329 0.00 0.00 -ATOM 5390 H1 H2O C1797 3.098 15.229 54.065 0.00 0.00 -ATOM 5391 H2 H2O C1797 1.945 14.491 53.175 0.00 0.00 -ATOM 5392 O1 H2O C1798 60.013 2.143 9.970 0.00 0.00 -ATOM 5393 H1 H2O C1798 59.021 2.240 10.048 0.00 0.00 -ATOM 5394 H2 H2O C1798 60.344 1.519 10.679 0.00 0.00 -ATOM 5395 O1 H2O C1799 39.553 35.400 23.006 0.00 0.00 -ATOM 5396 H1 H2O C1799 39.145 34.492 23.096 0.00 0.00 -ATOM 5397 H2 H2O C1799 40.326 35.357 22.373 0.00 0.00 -ATOM 5398 O1 H2O C1800 5.068 32.270 5.946 0.00 0.00 -ATOM 5399 H1 H2O C1800 6.035 32.131 5.734 0.00 0.00 -ATOM 5400 H2 H2O C1800 4.720 33.047 5.421 0.00 0.00 -ATOM 5401 O1 H2O C1801 54.546 34.405 0.251 0.00 0.00 -ATOM 5402 H1 H2O C1801 54.587 33.791 1.039 0.00 0.00 -ATOM 5403 H2 H2O C1801 54.257 33.892 -0.557 0.00 0.00 -ATOM 5404 O1 H2O C1802 26.796 23.199 40.806 0.00 0.00 -ATOM 5405 H1 H2O C1802 26.720 22.601 40.008 0.00 0.00 -ATOM 5406 H2 H2O C1802 25.885 23.514 41.073 0.00 0.00 -ATOM 5407 O1 H2O C1803 34.773 52.699 50.663 0.00 0.00 -ATOM 5408 H1 H2O C1803 34.947 53.240 49.840 0.00 0.00 -ATOM 5409 H2 H2O C1803 33.956 52.138 50.526 0.00 0.00 -ATOM 5410 O1 H2O C1804 55.485 3.064 8.875 0.00 0.00 -ATOM 5411 H1 H2O C1804 54.785 2.625 9.439 0.00 0.00 -ATOM 5412 H2 H2O C1804 56.143 2.376 8.568 0.00 0.00 -ATOM 5413 O1 H2O C1805 49.160 44.640 29.323 0.00 0.00 -ATOM 5414 H1 H2O C1805 49.251 44.560 28.331 0.00 0.00 -ATOM 5415 H2 H2O C1805 48.396 45.248 29.540 0.00 0.00 -ATOM 5416 O1 H2O C1806 49.133 37.416 39.902 0.00 0.00 -ATOM 5417 H1 H2O C1806 49.126 36.424 39.780 0.00 0.00 -ATOM 5418 H2 H2O C1806 48.244 37.790 39.636 0.00 0.00 -ATOM 5419 O1 H2O C1807 21.250 46.106 34.880 0.00 0.00 -ATOM 5420 H1 H2O C1807 20.508 46.267 35.530 0.00 0.00 -ATOM 5421 H2 H2O C1807 21.653 46.980 34.610 0.00 0.00 -ATOM 5422 O1 H2O C1808 33.931 19.449 14.500 0.00 0.00 -ATOM 5423 H1 H2O C1808 33.065 19.097 14.854 0.00 0.00 -ATOM 5424 H2 H2O C1808 34.199 20.261 15.018 0.00 0.00 -ATOM 5425 O1 H2O C1809 42.349 46.274 41.497 0.00 0.00 -ATOM 5426 H1 H2O C1809 41.359 46.410 41.524 0.00 0.00 -ATOM 5427 H2 H2O C1809 42.764 46.684 42.309 0.00 0.00 -ATOM 5428 O1 H2O C1810 44.476 25.875 6.904 0.00 0.00 -ATOM 5429 H1 H2O C1810 44.839 26.547 6.258 0.00 0.00 -ATOM 5430 H2 H2O C1810 44.247 26.332 7.764 0.00 0.00 -ATOM 5431 O1 H2O C1811 45.042 57.613 53.183 0.00 0.00 -ATOM 5432 H1 H2O C1811 44.719 58.393 52.647 0.00 0.00 -ATOM 5433 H2 H2O C1811 44.725 57.702 54.127 0.00 0.00 -ATOM 5434 O1 H2O C1812 8.341 48.681 41.380 0.00 0.00 -ATOM 5435 H1 H2O C1812 7.920 47.784 41.521 0.00 0.00 -ATOM 5436 H2 H2O C1812 7.632 49.350 41.156 0.00 0.00 -ATOM 5437 O1 H2O C1813 12.079 33.250 9.167 0.00 0.00 -ATOM 5438 H1 H2O C1813 11.424 33.990 9.316 0.00 0.00 -ATOM 5439 H2 H2O C1813 12.359 33.242 8.207 0.00 0.00 -ATOM 5440 O1 H2O C1814 31.980 53.313 46.387 0.00 0.00 -ATOM 5441 H1 H2O C1814 32.559 54.126 46.443 0.00 0.00 -ATOM 5442 H2 H2O C1814 31.068 53.575 46.071 0.00 0.00 -ATOM 5443 O1 H2O C1815 47.134 39.679 46.257 0.00 0.00 -ATOM 5444 H1 H2O C1815 47.160 39.618 45.259 0.00 0.00 -ATOM 5445 H2 H2O C1815 46.217 39.950 46.550 0.00 0.00 -ATOM 5446 O1 H2O C1816 42.127 31.942 2.588 0.00 0.00 -ATOM 5447 H1 H2O C1816 42.077 32.850 2.171 0.00 0.00 -ATOM 5448 H2 H2O C1816 42.147 32.034 3.584 0.00 0.00 -ATOM 5449 O1 H2O C1817 6.589 23.114 3.782 0.00 0.00 -ATOM 5450 H1 H2O C1817 7.256 23.000 4.520 0.00 0.00 -ATOM 5451 H2 H2O C1817 6.055 23.945 3.942 0.00 0.00 -ATOM 5452 O1 H2O C1818 51.853 1.520 47.390 0.00 0.00 -ATOM 5453 H1 H2O C1818 52.503 2.278 47.321 0.00 0.00 -ATOM 5454 H2 H2O C1818 52.086 0.820 46.714 0.00 0.00 -ATOM 5455 O1 H2O C1819 4.150 23.806 23.358 0.00 0.00 -ATOM 5456 H1 H2O C1819 5.079 24.111 23.567 0.00 0.00 -ATOM 5457 H2 H2O C1819 4.187 22.964 22.821 0.00 0.00 -ATOM 5458 O1 H2O C1820 57.078 40.151 26.701 0.00 0.00 -ATOM 5459 H1 H2O C1820 57.856 40.379 27.286 0.00 0.00 -ATOM 5460 H2 H2O C1820 57.115 39.181 26.461 0.00 0.00 -ATOM 5461 O1 H2O C1821 51.233 2.837 2.953 0.00 0.00 -ATOM 5462 H1 H2O C1821 50.996 3.025 3.906 0.00 0.00 -ATOM 5463 H2 H2O C1821 50.486 3.134 2.358 0.00 0.00 -ATOM 5464 O1 H2O C1822 10.400 53.267 17.835 0.00 0.00 -ATOM 5465 H1 H2O C1822 9.697 53.771 17.332 0.00 0.00 -ATOM 5466 H2 H2O C1822 10.260 53.393 18.818 0.00 0.00 -ATOM 5467 O1 H2O C1823 21.234 11.425 26.745 0.00 0.00 -ATOM 5468 H1 H2O C1823 22.167 11.248 26.430 0.00 0.00 -ATOM 5469 H2 H2O C1823 20.808 12.111 26.154 0.00 0.00 -ATOM 5470 O1 H2O C1824 3.315 57.980 46.252 0.00 0.00 -ATOM 5471 H1 H2O C1824 3.121 57.749 45.299 0.00 0.00 -ATOM 5472 H2 H2O C1824 2.979 57.250 46.847 0.00 0.00 -ATOM 5473 O1 H2O C1825 57.494 20.998 35.686 0.00 0.00 -ATOM 5474 H1 H2O C1825 57.840 20.135 36.052 0.00 0.00 -ATOM 5475 H2 H2O C1825 57.074 20.836 34.793 0.00 0.00 -ATOM 5476 O1 H2O C1826 54.998 29.247 43.482 0.00 0.00 -ATOM 5477 H1 H2O C1826 55.751 28.946 44.067 0.00 0.00 -ATOM 5478 H2 H2O C1826 54.192 29.433 44.047 0.00 0.00 -ATOM 5479 O1 H2O C1827 24.453 32.763 48.103 0.00 0.00 -ATOM 5480 H1 H2O C1827 23.659 32.170 47.971 0.00 0.00 -ATOM 5481 H2 H2O C1827 24.541 32.991 49.072 0.00 0.00 -ATOM 5482 O1 H2O C1828 14.512 44.090 17.182 0.00 0.00 -ATOM 5483 H1 H2O C1828 13.690 44.352 16.677 0.00 0.00 -ATOM 5484 H2 H2O C1828 15.160 44.852 17.182 0.00 0.00 -ATOM 5485 O1 H2O C1829 1.467 40.791 9.427 0.00 0.00 -ATOM 5486 H1 H2O C1829 1.790 40.742 10.373 0.00 0.00 -ATOM 5487 H2 H2O C1829 1.854 40.031 8.904 0.00 0.00 -ATOM 5488 O1 H2O C1830 13.562 41.669 13.439 0.00 0.00 -ATOM 5489 H1 H2O C1830 14.289 41.392 14.067 0.00 0.00 -ATOM 5490 H2 H2O C1830 13.764 41.325 12.522 0.00 0.00 -ATOM 5491 O1 H2O C1831 20.066 52.904 42.540 0.00 0.00 -ATOM 5492 H1 H2O C1831 20.909 52.371 42.459 0.00 0.00 -ATOM 5493 H2 H2O C1831 20.295 53.871 42.657 0.00 0.00 -ATOM 5494 O1 H2O C1832 51.596 49.381 35.012 0.00 0.00 -ATOM 5495 H1 H2O C1832 51.767 50.215 34.487 0.00 0.00 -ATOM 5496 H2 H2O C1832 50.701 49.444 35.454 0.00 0.00 -ATOM 5497 O1 H2O C1833 0.135 8.698 2.180 0.00 0.00 -ATOM 5498 H1 H2O C1833 0.361 7.958 1.547 0.00 0.00 -ATOM 5499 H2 H2O C1833 0.522 8.496 3.080 0.00 0.00 -ATOM 5500 O1 H2O C1834 13.644 22.374 48.377 0.00 0.00 -ATOM 5501 H1 H2O C1834 13.507 22.400 47.387 0.00 0.00 -ATOM 5502 H2 H2O C1834 14.553 22.011 48.579 0.00 0.00 -ATOM 5503 O1 H2O C1835 18.758 32.249 53.967 0.00 0.00 -ATOM 5504 H1 H2O C1835 19.240 31.419 53.687 0.00 0.00 -ATOM 5505 H2 H2O C1835 17.941 32.000 54.489 0.00 0.00 -ATOM 5506 O1 H2O C1836 16.357 50.244 23.090 0.00 0.00 -ATOM 5507 H1 H2O C1836 15.705 49.752 22.511 0.00 0.00 -ATOM 5508 H2 H2O C1836 16.887 49.586 23.626 0.00 0.00 -ATOM 5509 O1 H2O C1837 28.009 34.648 13.108 0.00 0.00 -ATOM 5510 H1 H2O C1837 28.966 34.750 13.381 0.00 0.00 -ATOM 5511 H2 H2O C1837 27.427 34.673 13.922 0.00 0.00 -ATOM 5512 O1 H2O C1838 10.585 14.340 31.357 0.00 0.00 -ATOM 5513 H1 H2O C1838 10.383 14.282 30.379 0.00 0.00 -ATOM 5514 H2 H2O C1838 10.745 15.294 31.609 0.00 0.00 -ATOM 5515 O1 H2O C1839 58.745 20.323 47.744 0.00 0.00 -ATOM 5516 H1 H2O C1839 58.098 20.106 48.476 0.00 0.00 -ATOM 5517 H2 H2O C1839 58.288 20.875 47.048 0.00 0.00 -ATOM 5518 O1 H2O C1840 56.005 53.646 14.292 0.00 0.00 -ATOM 5519 H1 H2O C1840 56.252 53.668 15.260 0.00 0.00 -ATOM 5520 H2 H2O C1840 55.019 53.502 14.203 0.00 0.00 -ATOM 5521 O1 H2O C1841 20.114 30.560 7.925 0.00 0.00 -ATOM 5522 H1 H2O C1841 19.455 30.977 7.298 0.00 0.00 -ATOM 5523 H2 H2O C1841 19.690 30.442 8.823 0.00 0.00 -ATOM 5524 O1 H2O C1842 44.587 19.637 53.189 0.00 0.00 -ATOM 5525 H1 H2O C1842 44.579 20.468 53.748 0.00 0.00 -ATOM 5526 H2 H2O C1842 43.688 19.200 53.232 0.00 0.00 -ATOM 5527 O1 H2O C1843 4.280 27.011 5.873 0.00 0.00 -ATOM 5528 H1 H2O C1843 4.006 26.131 5.485 0.00 0.00 -ATOM 5529 H2 H2O C1843 4.704 26.864 6.767 0.00 0.00 -ATOM 5530 O1 H2O C1844 29.527 36.648 29.153 0.00 0.00 -ATOM 5531 H1 H2O C1844 28.542 36.744 29.294 0.00 0.00 -ATOM 5532 H2 H2O C1844 29.892 37.494 28.764 0.00 0.00 -ATOM 5533 O1 H2O C1845 55.516 27.930 20.595 0.00 0.00 -ATOM 5534 H1 H2O C1845 55.324 27.619 21.526 0.00 0.00 -ATOM 5535 H2 H2O C1845 56.433 28.328 20.560 0.00 0.00 -ATOM 5536 O1 H2O C1846 32.845 26.437 40.888 0.00 0.00 -ATOM 5537 H1 H2O C1846 33.128 27.304 40.478 0.00 0.00 -ATOM 5538 H2 H2O C1846 33.586 26.081 41.458 0.00 0.00 -ATOM 5539 O1 H2O C1847 12.139 54.805 56.095 0.00 0.00 -ATOM 5540 H1 H2O C1847 12.564 55.707 56.030 0.00 0.00 -ATOM 5541 H2 H2O C1847 12.535 54.199 55.405 0.00 0.00 -ATOM 5542 O1 H2O C1848 6.244 0.447 46.399 0.00 0.00 -ATOM 5543 H1 H2O C1848 6.088 0.774 45.466 0.00 0.00 -ATOM 5544 H2 H2O C1848 5.527 0.801 46.999 0.00 0.00 -ATOM 5545 O1 H2O C1849 6.170 1.953 10.310 0.00 0.00 -ATOM 5546 H1 H2O C1849 5.744 1.795 9.419 0.00 0.00 -ATOM 5547 H2 H2O C1849 5.921 1.213 10.934 0.00 0.00 -ATOM 5548 O1 H2O C1850 43.081 36.766 1.145 0.00 0.00 -ATOM 5549 H1 H2O C1850 44.056 36.697 1.355 0.00 0.00 -ATOM 5550 H2 H2O C1850 42.934 36.566 0.176 0.00 0.00 -ATOM 5551 O1 H2O C1851 32.434 17.410 0.835 0.00 0.00 -ATOM 5552 H1 H2O C1851 33.003 17.003 1.549 0.00 0.00 -ATOM 5553 H2 H2O C1851 32.860 18.254 0.510 0.00 0.00 -ATOM 5554 O1 H2O C1852 39.546 30.375 47.829 0.00 0.00 -ATOM 5555 H1 H2O C1852 38.708 30.433 47.286 0.00 0.00 -ATOM 5556 H2 H2O C1852 39.476 29.610 48.469 0.00 0.00 -ATOM 5557 O1 H2O C1853 31.926 28.224 37.702 0.00 0.00 -ATOM 5558 H1 H2O C1853 31.124 27.982 38.247 0.00 0.00 -ATOM 5559 H2 H2O C1853 31.784 29.120 37.280 0.00 0.00 -ATOM 5560 O1 H2O C1854 27.378 31.043 25.462 0.00 0.00 -ATOM 5561 H1 H2O C1854 26.884 31.912 25.481 0.00 0.00 -ATOM 5562 H2 H2O C1854 28.241 31.139 25.957 0.00 0.00 -ATOM 5563 O1 H2O C1855 9.682 58.250 58.572 0.00 0.00 -ATOM 5564 H1 H2O C1855 10.668 58.092 58.521 0.00 0.00 -ATOM 5565 H2 H2O C1855 9.509 59.218 58.754 0.00 0.00 -ATOM 5566 O1 H2O C1856 10.338 31.104 49.380 0.00 0.00 -ATOM 5567 H1 H2O C1856 11.042 31.746 49.682 0.00 0.00 -ATOM 5568 H2 H2O C1856 10.298 30.331 50.014 0.00 0.00 -ATOM 5569 O1 H2O C1857 3.902 42.090 48.726 0.00 0.00 -ATOM 5570 H1 H2O C1857 3.252 42.650 48.212 0.00 0.00 -ATOM 5571 H2 H2O C1857 4.393 41.487 48.098 0.00 0.00 -ATOM 5572 O1 H2O C1858 9.720 57.085 35.468 0.00 0.00 -ATOM 5573 H1 H2O C1858 9.968 57.840 36.075 0.00 0.00 -ATOM 5574 H2 H2O C1858 10.120 56.235 35.811 0.00 0.00 -ATOM 5575 O1 H2O C1859 29.001 59.635 45.076 0.00 0.00 -ATOM 5576 H1 H2O C1859 28.663 59.073 45.831 0.00 0.00 -ATOM 5577 H2 H2O C1859 29.636 60.321 45.430 0.00 0.00 -ATOM 5578 O1 H2O C1860 58.676 24.385 9.257 0.00 0.00 -ATOM 5579 H1 H2O C1860 58.877 25.318 9.555 0.00 0.00 -ATOM 5580 H2 H2O C1860 58.480 23.816 10.055 0.00 0.00 -ATOM 5581 O1 H2O C1861 20.129 31.875 31.309 0.00 0.00 -ATOM 5582 H1 H2O C1861 20.467 32.012 32.240 0.00 0.00 -ATOM 5583 H2 H2O C1861 20.501 32.586 30.712 0.00 0.00 -ATOM 5584 O1 H2O C1862 50.586 21.156 47.678 0.00 0.00 -ATOM 5585 H1 H2O C1862 50.953 20.782 48.529 0.00 0.00 -ATOM 5586 H2 H2O C1862 49.703 20.730 47.479 0.00 0.00 -ATOM 5587 O1 H2O C1863 24.869 37.881 8.501 0.00 0.00 -ATOM 5588 H1 H2O C1863 25.183 37.184 7.857 0.00 0.00 -ATOM 5589 H2 H2O C1863 23.870 37.866 8.548 0.00 0.00 -ATOM 5590 O1 H2O C1864 14.523 9.368 39.987 0.00 0.00 -ATOM 5591 H1 H2O C1864 15.421 9.148 39.605 0.00 0.00 -ATOM 5592 H2 H2O C1864 14.088 8.530 40.317 0.00 0.00 -ATOM 5593 O1 H2O C1865 27.646 51.049 3.342 0.00 0.00 -ATOM 5594 H1 H2O C1865 28.177 50.256 3.642 0.00 0.00 -ATOM 5595 H2 H2O C1865 26.786 51.086 3.851 0.00 0.00 -ATOM 5596 O1 H2O C1866 15.346 7.510 5.671 0.00 0.00 -ATOM 5597 H1 H2O C1866 14.371 7.315 5.786 0.00 0.00 -ATOM 5598 H2 H2O C1866 15.517 7.802 4.730 0.00 0.00 -ATOM 5599 O1 H2O C1867 7.996 20.930 26.773 0.00 0.00 -ATOM 5600 H1 H2O C1867 7.735 21.665 26.147 0.00 0.00 -ATOM 5601 H2 H2O C1867 7.328 20.872 27.515 0.00 0.00 -ATOM 5602 O1 H2O C1868 24.581 37.175 35.822 0.00 0.00 -ATOM 5603 H1 H2O C1868 25.246 36.938 35.114 0.00 0.00 -ATOM 5604 H2 H2O C1868 23.775 37.589 35.398 0.00 0.00 -ATOM 5605 O1 H2O C1869 50.076 39.532 55.724 0.00 0.00 -ATOM 5606 H1 H2O C1869 50.768 39.298 55.041 0.00 0.00 -ATOM 5607 H2 H2O C1869 50.027 38.805 56.411 0.00 0.00 -ATOM 5608 O1 H2O C1870 36.630 46.128 21.858 0.00 0.00 -ATOM 5609 H1 H2O C1870 36.897 45.176 22.017 0.00 0.00 -ATOM 5610 H2 H2O C1870 36.117 46.191 21.002 0.00 0.00 -ATOM 5611 O1 H2O C1871 54.236 22.363 9.775 0.00 0.00 -ATOM 5612 H1 H2O C1871 53.359 22.577 9.345 0.00 0.00 -ATOM 5613 H2 H2O C1871 54.796 21.829 9.141 0.00 0.00 -ATOM 5614 O1 H2O C1872 40.663 3.168 1.327 0.00 0.00 -ATOM 5615 H1 H2O C1872 40.146 2.600 0.687 0.00 0.00 -ATOM 5616 H2 H2O C1872 41.361 3.681 0.827 0.00 0.00 -ATOM 5617 O1 H2O C1873 46.088 42.814 11.775 0.00 0.00 -ATOM 5618 H1 H2O C1873 46.541 41.924 11.727 0.00 0.00 -ATOM 5619 H2 H2O C1873 45.482 42.923 10.986 0.00 0.00 -ATOM 5620 O1 H2O C1874 33.224 11.137 22.591 0.00 0.00 -ATOM 5621 H1 H2O C1874 32.301 11.227 22.965 0.00 0.00 -ATOM 5622 H2 H2O C1874 33.317 11.727 21.789 0.00 0.00 -ATOM 5623 O1 H2O C1875 19.100 30.005 57.015 0.00 0.00 -ATOM 5624 H1 H2O C1875 19.408 29.555 56.177 0.00 0.00 -ATOM 5625 H2 H2O C1875 18.304 30.575 56.813 0.00 0.00 -ATOM 5626 O1 H2O C1876 5.632 16.477 33.907 0.00 0.00 -ATOM 5627 H1 H2O C1876 5.496 16.830 32.981 0.00 0.00 -ATOM 5628 H2 H2O C1876 6.581 16.631 34.185 0.00 0.00 -ATOM 5629 O1 H2O C1877 25.739 55.161 26.991 0.00 0.00 -ATOM 5630 H1 H2O C1877 26.476 54.877 27.604 0.00 0.00 -ATOM 5631 H2 H2O C1877 25.922 56.083 26.653 0.00 0.00 -ATOM 5632 O1 H2O C1878 46.833 58.314 12.095 0.00 0.00 -ATOM 5633 H1 H2O C1878 47.721 57.934 11.836 0.00 0.00 -ATOM 5634 H2 H2O C1878 46.110 57.846 11.586 0.00 0.00 -ATOM 5635 O1 H2O C1879 0.040 29.304 20.179 0.00 0.00 -ATOM 5636 H1 H2O C1879 -0.218 28.427 19.774 0.00 0.00 -ATOM 5637 H2 H2O C1879 0.841 29.178 20.764 0.00 0.00 -ATOM 5638 O1 H2O C1880 35.632 10.513 55.067 0.00 0.00 -ATOM 5639 H1 H2O C1880 36.489 10.820 55.480 0.00 0.00 -ATOM 5640 H2 H2O C1880 35.553 9.521 55.162 0.00 0.00 -ATOM 5641 O1 H2O C1881 45.916 41.349 17.655 0.00 0.00 -ATOM 5642 H1 H2O C1881 45.733 41.003 18.575 0.00 0.00 -ATOM 5643 H2 H2O C1881 45.590 42.292 17.583 0.00 0.00 -ATOM 5644 O1 H2O C1882 4.719 20.501 49.301 0.00 0.00 -ATOM 5645 H1 H2O C1882 5.623 20.275 49.666 0.00 0.00 -ATOM 5646 H2 H2O C1882 4.808 20.798 48.351 0.00 0.00 -ATOM 5647 O1 H2O C1883 25.129 47.325 54.348 0.00 0.00 -ATOM 5648 H1 H2O C1883 24.546 46.695 54.862 0.00 0.00 -ATOM 5649 H2 H2O C1883 24.948 47.221 53.370 0.00 0.00 -ATOM 5650 O1 H2O C1884 56.322 20.806 7.379 0.00 0.00 -ATOM 5651 H1 H2O C1884 55.415 21.197 7.220 0.00 0.00 -ATOM 5652 H2 H2O C1884 56.692 21.163 8.237 0.00 0.00 -ATOM 5653 O1 H2O C1885 3.641 41.943 0.259 0.00 0.00 -ATOM 5654 H1 H2O C1885 3.966 41.887 1.203 0.00 0.00 -ATOM 5655 H2 H2O C1885 4.424 41.955 -0.363 0.00 0.00 -ATOM 5656 O1 H2O C1886 44.558 23.712 36.110 0.00 0.00 -ATOM 5657 H1 H2O C1886 43.901 24.407 36.404 0.00 0.00 -ATOM 5658 H2 H2O C1886 44.899 23.218 36.911 0.00 0.00 -ATOM 5659 O1 H2O C1887 22.294 9.497 22.703 0.00 0.00 -ATOM 5660 H1 H2O C1887 22.553 10.448 22.538 0.00 0.00 -ATOM 5661 H2 H2O C1887 21.355 9.462 23.046 0.00 0.00 -ATOM 5662 O1 H2O C1888 58.765 6.083 52.744 0.00 0.00 -ATOM 5663 H1 H2O C1888 58.912 6.455 53.661 0.00 0.00 -ATOM 5664 H2 H2O C1888 59.551 6.301 52.166 0.00 0.00 -ATOM 5665 O1 H2O C1889 16.252 52.364 10.017 0.00 0.00 -ATOM 5666 H1 H2O C1889 16.219 53.253 10.475 0.00 0.00 -ATOM 5667 H2 H2O C1889 15.322 52.067 9.800 0.00 0.00 -ATOM 5668 O1 H2O C1890 29.221 48.092 28.966 0.00 0.00 -ATOM 5669 H1 H2O C1890 30.180 47.824 28.882 0.00 0.00 -ATOM 5670 H2 H2O C1890 28.879 47.828 29.868 0.00 0.00 -ATOM 5671 O1 H2O C1891 5.722 43.105 11.903 0.00 0.00 -ATOM 5672 H1 H2O C1891 5.522 42.686 12.789 0.00 0.00 -ATOM 5673 H2 H2O C1891 5.707 42.403 11.191 0.00 0.00 -ATOM 5674 O1 H2O C1892 11.657 45.643 56.191 0.00 0.00 -ATOM 5675 H1 H2O C1892 11.682 46.050 55.277 0.00 0.00 -ATOM 5676 H2 H2O C1892 11.386 44.682 56.119 0.00 0.00 -ATOM 5677 O1 H2O C1893 46.617 20.540 35.273 0.00 0.00 -ATOM 5678 H1 H2O C1893 47.113 19.796 35.720 0.00 0.00 -ATOM 5679 H2 H2O C1893 47.248 21.291 35.077 0.00 0.00 -ATOM 5680 O1 H2O C1894 38.519 32.984 46.905 0.00 0.00 -ATOM 5681 H1 H2O C1894 38.823 32.327 47.596 0.00 0.00 -ATOM 5682 H2 H2O C1894 39.311 33.317 46.392 0.00 0.00 -ATOM 5683 O1 H2O C1895 23.368 8.843 46.029 0.00 0.00 -ATOM 5684 H1 H2O C1895 23.548 8.972 47.004 0.00 0.00 -ATOM 5685 H2 H2O C1895 22.491 9.264 45.793 0.00 0.00 -ATOM 5686 O1 H2O C1896 4.772 53.764 38.673 0.00 0.00 -ATOM 5687 H1 H2O C1896 5.376 54.560 38.638 0.00 0.00 -ATOM 5688 H2 H2O C1896 5.320 52.934 38.776 0.00 0.00 -ATOM 5689 O1 H2O C1897 3.713 36.394 54.164 0.00 0.00 -ATOM 5690 H1 H2O C1897 3.363 35.794 53.445 0.00 0.00 -ATOM 5691 H2 H2O C1897 2.953 36.713 54.731 0.00 0.00 -ATOM 5692 O1 H2O C1898 26.185 43.374 40.078 0.00 0.00 -ATOM 5693 H1 H2O C1898 27.058 42.920 39.899 0.00 0.00 -ATOM 5694 H2 H2O C1898 26.190 43.751 41.005 0.00 0.00 -ATOM 5695 O1 H2O C1899 34.181 33.076 14.541 0.00 0.00 -ATOM 5696 H1 H2O C1899 33.789 32.441 15.207 0.00 0.00 -ATOM 5697 H2 H2O C1899 33.989 34.016 14.824 0.00 0.00 -ATOM 5698 O1 H2O C1900 17.383 31.550 20.353 0.00 0.00 -ATOM 5699 H1 H2O C1900 18.126 32.156 20.068 0.00 0.00 -ATOM 5700 H2 H2O C1900 17.228 31.654 21.336 0.00 0.00 -ATOM 5701 O1 H2O C1901 15.211 16.207 9.303 0.00 0.00 -ATOM 5702 H1 H2O C1901 14.253 15.984 9.127 0.00 0.00 -ATOM 5703 H2 H2O C1901 15.419 16.044 10.268 0.00 0.00 -ATOM 5704 O1 H2O C1902 52.784 21.775 58.054 0.00 0.00 -ATOM 5705 H1 H2O C1902 53.164 20.911 58.385 0.00 0.00 -ATOM 5706 H2 H2O C1902 52.882 22.475 58.761 0.00 0.00 -ATOM 5707 O1 H2O C1903 4.152 30.671 11.619 0.00 0.00 -ATOM 5708 H1 H2O C1903 3.163 30.545 11.546 0.00 0.00 -ATOM 5709 H2 H2O C1903 4.460 31.308 10.912 0.00 0.00 -ATOM 5710 O1 H2O C1904 18.569 33.855 29.678 0.00 0.00 -ATOM 5711 H1 H2O C1904 17.679 33.502 29.388 0.00 0.00 -ATOM 5712 H2 H2O C1904 19.083 33.129 30.134 0.00 0.00 -ATOM 5713 O1 H2O C1905 15.636 9.331 39.824 0.00 0.00 -ATOM 5714 H1 H2O C1905 14.725 8.959 40.002 0.00 0.00 -ATOM 5715 H2 H2O C1905 15.739 9.507 38.845 0.00 0.00 -ATOM 5716 O1 H2O C1906 35.285 19.407 36.147 0.00 0.00 -ATOM 5717 H1 H2O C1906 36.206 19.184 36.466 0.00 0.00 -ATOM 5718 H2 H2O C1906 34.631 19.258 36.889 0.00 0.00 -ATOM 5719 O1 H2O C1907 31.485 52.787 29.415 0.00 0.00 -ATOM 5720 H1 H2O C1907 32.222 52.875 28.744 0.00 0.00 -ATOM 5721 H2 H2O C1907 31.800 53.124 30.302 0.00 0.00 -ATOM 5722 O1 H2O C1908 22.590 22.647 14.061 0.00 0.00 -ATOM 5723 H1 H2O C1908 22.696 21.969 13.334 0.00 0.00 -ATOM 5724 H2 H2O C1908 22.988 22.293 14.908 0.00 0.00 -ATOM 5725 O1 H2O C1909 18.000 18.507 44.022 0.00 0.00 -ATOM 5726 H1 H2O C1909 18.261 19.377 44.442 0.00 0.00 -ATOM 5727 H2 H2O C1909 18.811 17.934 43.912 0.00 0.00 -ATOM 5728 O1 H2O C1910 33.603 0.839 9.849 0.00 0.00 -ATOM 5729 H1 H2O C1910 34.516 0.900 9.444 0.00 0.00 -ATOM 5730 H2 H2O C1910 33.156 1.732 9.800 0.00 0.00 -ATOM 5731 O1 H2O C1911 4.927 3.741 39.873 0.00 0.00 -ATOM 5732 H1 H2O C1911 4.765 4.684 40.165 0.00 0.00 -ATOM 5733 H2 H2O C1911 5.852 3.466 40.132 0.00 0.00 -ATOM 5734 O1 H2O C1912 45.906 46.302 4.966 0.00 0.00 -ATOM 5735 H1 H2O C1912 45.637 47.244 5.168 0.00 0.00 -ATOM 5736 H2 H2O C1912 45.282 45.915 4.287 0.00 0.00 -ATOM 5737 O1 H2O C1913 18.340 3.882 27.372 0.00 0.00 -ATOM 5738 H1 H2O C1913 19.212 4.343 27.212 0.00 0.00 -ATOM 5739 H2 H2O C1913 18.155 3.248 26.622 0.00 0.00 -ATOM 5740 O1 H2O C1914 55.758 31.814 35.523 0.00 0.00 -ATOM 5741 H1 H2O C1914 55.950 31.486 34.597 0.00 0.00 -ATOM 5742 H2 H2O C1914 56.579 32.241 35.902 0.00 0.00 -ATOM 5743 O1 H2O C1915 26.775 41.334 23.553 0.00 0.00 -ATOM 5744 H1 H2O C1915 26.246 42.182 23.527 0.00 0.00 -ATOM 5745 H2 H2O C1915 27.706 41.530 23.862 0.00 0.00 -ATOM 5746 O1 H2O C1916 54.963 4.872 40.654 0.00 0.00 -ATOM 5747 H1 H2O C1916 54.831 5.863 40.664 0.00 0.00 -ATOM 5748 H2 H2O C1916 54.816 4.526 39.727 0.00 0.00 -ATOM 5749 O1 H2O C1917 19.912 7.219 11.083 0.00 0.00 -ATOM 5750 H1 H2O C1917 20.127 7.867 11.814 0.00 0.00 -ATOM 5751 H2 H2O C1917 19.266 7.638 10.445 0.00 0.00 -ATOM 5752 O1 H2O C1918 52.281 15.050 17.037 0.00 0.00 -ATOM 5753 H1 H2O C1918 51.705 15.829 17.285 0.00 0.00 -ATOM 5754 H2 H2O C1918 52.388 14.450 17.830 0.00 0.00 -ATOM 5755 O1 H2O C1919 1.331 19.353 23.883 0.00 0.00 -ATOM 5756 H1 H2O C1919 1.118 18.476 24.313 0.00 0.00 -ATOM 5757 H2 H2O C1919 0.596 19.603 23.253 0.00 0.00 -ATOM 5758 O1 H2O C1920 4.455 2.605 8.089 0.00 0.00 -ATOM 5759 H1 H2O C1920 4.845 2.471 7.178 0.00 0.00 -ATOM 5760 H2 H2O C1920 5.139 2.375 8.781 0.00 0.00 -ATOM 5761 O1 H2O C1921 33.131 0.597 16.414 0.00 0.00 -ATOM 5762 H1 H2O C1921 32.740 -0.042 15.751 0.00 0.00 -ATOM 5763 H2 H2O C1921 32.864 1.530 16.175 0.00 0.00 -ATOM 5764 O1 H2O C1922 19.308 39.016 55.527 0.00 0.00 -ATOM 5765 H1 H2O C1922 20.043 38.563 56.032 0.00 0.00 -ATOM 5766 H2 H2O C1922 18.831 39.654 56.133 0.00 0.00 -ATOM 5767 O1 H2O C1923 44.121 9.229 12.211 0.00 0.00 -ATOM 5768 H1 H2O C1923 43.529 9.602 11.496 0.00 0.00 -ATOM 5769 H2 H2O C1923 44.604 8.427 11.858 0.00 0.00 -ATOM 5770 O1 H2O C1924 46.583 20.610 40.224 0.00 0.00 -ATOM 5771 H1 H2O C1924 46.347 19.789 39.705 0.00 0.00 -ATOM 5772 H2 H2O C1924 46.328 21.422 39.697 0.00 0.00 -ATOM 5773 O1 H2O C1925 45.265 21.847 11.842 0.00 0.00 -ATOM 5774 H1 H2O C1925 45.059 22.794 11.594 0.00 0.00 -ATOM 5775 H2 H2O C1925 46.176 21.800 12.251 0.00 0.00 -ATOM 5776 O1 H2O C1926 53.912 48.450 35.121 0.00 0.00 -ATOM 5777 H1 H2O C1926 53.920 48.131 36.069 0.00 0.00 -ATOM 5778 H2 H2O C1926 53.117 48.070 34.648 0.00 0.00 -ATOM 5779 O1 H2O C1927 13.138 41.168 5.108 0.00 0.00 -ATOM 5780 H1 H2O C1927 12.356 40.551 5.195 0.00 0.00 -ATOM 5781 H2 H2O C1927 12.991 41.975 5.680 0.00 0.00 -ATOM 5782 O1 H2O C1928 14.608 25.565 58.516 0.00 0.00 -ATOM 5783 H1 H2O C1928 13.654 25.365 58.740 0.00 0.00 -ATOM 5784 H2 H2O C1928 15.028 26.074 59.267 0.00 0.00 -ATOM 5785 O1 H2O C1929 40.139 16.434 6.633 0.00 0.00 -ATOM 5786 H1 H2O C1929 40.935 17.041 6.645 0.00 0.00 -ATOM 5787 H2 H2O C1929 40.203 15.787 7.393 0.00 0.00 -ATOM 5788 O1 H2O C1930 54.094 27.226 49.845 0.00 0.00 -ATOM 5789 H1 H2O C1930 54.117 26.659 50.669 0.00 0.00 -ATOM 5790 H2 H2O C1930 54.243 28.183 50.095 0.00 0.00 -ATOM 5791 O1 H2O C1931 29.831 26.262 49.511 0.00 0.00 -ATOM 5792 H1 H2O C1931 29.331 27.121 49.401 0.00 0.00 -ATOM 5793 H2 H2O C1931 30.118 26.162 50.464 0.00 0.00 -ATOM 5794 O1 H2O C1932 7.174 25.892 11.694 0.00 0.00 -ATOM 5795 H1 H2O C1932 8.066 25.552 11.992 0.00 0.00 -ATOM 5796 H2 H2O C1932 6.765 26.440 12.425 0.00 0.00 -ATOM 5797 O1 H2O C1933 59.573 10.818 52.619 0.00 0.00 -ATOM 5798 H1 H2O C1933 60.033 11.655 52.914 0.00 0.00 -ATOM 5799 H2 H2O C1933 58.612 11.016 52.424 0.00 0.00 -ATOM 5800 O1 H2O C1934 41.858 38.633 58.106 0.00 0.00 -ATOM 5801 H1 H2O C1934 42.213 38.781 59.029 0.00 0.00 -ATOM 5802 H2 H2O C1934 42.581 38.809 57.438 0.00 0.00 -ATOM 5803 O1 H2O C1935 50.905 16.210 32.703 0.00 0.00 -ATOM 5804 H1 H2O C1935 51.390 15.783 33.466 0.00 0.00 -ATOM 5805 H2 H2O C1935 49.919 16.162 32.866 0.00 0.00 -ATOM 5806 O1 H2O C1936 24.959 9.021 12.122 0.00 0.00 -ATOM 5807 H1 H2O C1936 25.944 9.190 12.126 0.00 0.00 -ATOM 5808 H2 H2O C1936 24.634 8.921 13.063 0.00 0.00 -ATOM 5809 O1 H2O C1937 5.708 35.638 20.679 0.00 0.00 -ATOM 5810 H1 H2O C1937 6.099 35.694 19.760 0.00 0.00 -ATOM 5811 H2 H2O C1937 6.233 34.985 21.225 0.00 0.00 -ATOM 5812 O1 H2O C1938 33.752 48.851 24.545 0.00 0.00 -ATOM 5813 H1 H2O C1938 33.420 48.963 23.608 0.00 0.00 -ATOM 5814 H2 H2O C1938 33.702 47.886 24.803 0.00 0.00 -ATOM 5815 O1 H2O C1939 14.969 12.251 28.254 0.00 0.00 -ATOM 5816 H1 H2O C1939 15.709 12.693 27.746 0.00 0.00 -ATOM 5817 H2 H2O C1939 15.230 12.166 29.216 0.00 0.00 -ATOM 5818 O1 H2O C1940 49.864 4.417 24.314 0.00 0.00 -ATOM 5819 H1 H2O C1940 49.463 5.141 24.875 0.00 0.00 -ATOM 5820 H2 H2O C1940 50.174 4.802 23.445 0.00 0.00 -ATOM 5821 O1 H2O C1941 19.329 13.122 37.173 0.00 0.00 -ATOM 5822 H1 H2O C1941 18.560 13.670 37.503 0.00 0.00 -ATOM 5823 H2 H2O C1941 18.983 12.325 36.678 0.00 0.00 -ATOM 5824 O1 H2O C1942 4.569 44.112 46.426 0.00 0.00 -ATOM 5825 H1 H2O C1942 4.013 44.120 47.258 0.00 0.00 -ATOM 5826 H2 H2O C1942 4.896 45.037 46.235 0.00 0.00 -ATOM 5827 O1 H2O C1943 49.224 23.366 29.764 0.00 0.00 -ATOM 5828 H1 H2O C1943 49.940 23.178 29.092 0.00 0.00 -ATOM 5829 H2 H2O C1943 49.618 23.352 30.683 0.00 0.00 -ATOM 5830 O1 H2O C1944 19.622 55.184 15.708 0.00 0.00 -ATOM 5831 H1 H2O C1944 20.439 54.889 16.204 0.00 0.00 -ATOM 5832 H2 H2O C1944 19.355 54.474 15.055 0.00 0.00 -ATOM 5833 O1 H2O C1945 1.197 6.853 17.115 0.00 0.00 -ATOM 5834 H1 H2O C1945 0.205 6.917 17.222 0.00 0.00 -ATOM 5835 H2 H2O C1945 1.628 7.666 17.506 0.00 0.00 -ATOM 5836 O1 H2O C1946 43.241 5.637 48.074 0.00 0.00 -ATOM 5837 H1 H2O C1946 43.902 5.118 48.616 0.00 0.00 -ATOM 5838 H2 H2O C1946 42.607 5.006 47.627 0.00 0.00 -ATOM 5839 O1 H2O C1947 36.398 31.431 4.550 0.00 0.00 -ATOM 5840 H1 H2O C1947 37.193 30.839 4.686 0.00 0.00 -ATOM 5841 H2 H2O C1947 36.325 32.071 5.316 0.00 0.00 -ATOM 5842 O1 H2O C1948 17.937 53.509 3.056 0.00 0.00 -ATOM 5843 H1 H2O C1948 17.332 53.040 2.412 0.00 0.00 -ATOM 5844 H2 H2O C1948 18.570 52.849 3.460 0.00 0.00 -ATOM 5845 O1 H2O C1949 48.617 46.391 16.913 0.00 0.00 -ATOM 5846 H1 H2O C1949 49.378 45.772 17.110 0.00 0.00 -ATOM 5847 H2 H2O C1949 48.815 47.294 17.297 0.00 0.00 -ATOM 5848 O1 H2O C1950 0.384 60.035 23.864 0.00 0.00 -ATOM 5849 H1 H2O C1950 1.125 59.411 24.110 0.00 0.00 -ATOM 5850 H2 H2O C1950 -0.383 59.511 23.493 0.00 0.00 -ATOM 5851 O1 H2O C1951 28.437 1.957 43.646 0.00 0.00 -ATOM 5852 H1 H2O C1951 28.368 0.969 43.789 0.00 0.00 -ATOM 5853 H2 H2O C1951 28.990 2.137 42.831 0.00 0.00 -ATOM 5854 O1 H2O C1952 8.644 18.405 54.952 0.00 0.00 -ATOM 5855 H1 H2O C1952 7.923 18.301 55.637 0.00 0.00 -ATOM 5856 H2 H2O C1952 9.262 19.141 55.227 0.00 0.00 -ATOM 5857 O1 H2O C1953 36.933 31.332 13.944 0.00 0.00 -ATOM 5858 H1 H2O C1953 36.643 30.579 14.535 0.00 0.00 -ATOM 5859 H2 H2O C1953 36.133 31.858 13.658 0.00 0.00 -ATOM 5860 O1 H2O C1954 38.569 42.465 54.982 0.00 0.00 -ATOM 5861 H1 H2O C1954 38.494 43.003 54.142 0.00 0.00 -ATOM 5862 H2 H2O C1954 38.287 41.523 54.800 0.00 0.00 -ATOM 5863 O1 H2O C1955 25.625 35.107 26.061 0.00 0.00 -ATOM 5864 H1 H2O C1955 25.501 34.776 26.996 0.00 0.00 -ATOM 5865 H2 H2O C1955 26.600 35.130 25.842 0.00 0.00 -ATOM 5866 O1 H2O C1956 40.309 34.325 51.641 0.00 0.00 -ATOM 5867 H1 H2O C1956 40.528 35.223 52.022 0.00 0.00 -ATOM 5868 H2 H2O C1956 39.331 34.149 51.745 0.00 0.00 -ATOM 5869 O1 H2O C1957 39.627 31.014 52.206 0.00 0.00 -ATOM 5870 H1 H2O C1957 39.523 30.568 53.095 0.00 0.00 -ATOM 5871 H2 H2O C1957 40.599 31.131 52.002 0.00 0.00 -ATOM 5872 O1 H2O C1958 28.516 15.362 46.853 0.00 0.00 -ATOM 5873 H1 H2O C1958 27.994 14.508 46.840 0.00 0.00 -ATOM 5874 H2 H2O C1958 28.505 15.744 47.777 0.00 0.00 -ATOM 5875 O1 H2O C1959 9.461 44.708 47.845 0.00 0.00 -ATOM 5876 H1 H2O C1959 10.386 44.619 47.475 0.00 0.00 -ATOM 5877 H2 H2O C1959 9.435 44.330 48.771 0.00 0.00 -ATOM 5878 O1 H2O C1960 53.400 32.056 21.464 0.00 0.00 -ATOM 5879 H1 H2O C1960 52.549 31.534 21.422 0.00 0.00 -ATOM 5880 H2 H2O C1960 53.235 32.926 21.929 0.00 0.00 -ATOM 5881 O1 H2O C1961 58.018 44.878 48.221 0.00 0.00 -ATOM 5882 H1 H2O C1961 58.631 44.204 48.632 0.00 0.00 -ATOM 5883 H2 H2O C1961 58.559 45.613 47.810 0.00 0.00 -ATOM 5884 O1 H2O C1962 39.763 28.678 46.617 0.00 0.00 -ATOM 5885 H1 H2O C1962 38.987 28.049 46.656 0.00 0.00 -ATOM 5886 H2 H2O C1962 40.031 28.817 45.663 0.00 0.00 -ATOM 5887 O1 H2O C1963 2.002 9.081 52.866 0.00 0.00 -ATOM 5888 H1 H2O C1963 2.313 8.145 53.031 0.00 0.00 -ATOM 5889 H2 H2O C1963 2.424 9.694 53.535 0.00 0.00 -ATOM 5890 O1 H2O C1964 45.227 17.536 33.126 0.00 0.00 -ATOM 5891 H1 H2O C1964 44.770 18.399 32.909 0.00 0.00 -ATOM 5892 H2 H2O C1964 46.210 17.630 32.965 0.00 0.00 -ATOM 5893 O1 H2O C1965 7.145 30.154 45.574 0.00 0.00 -ATOM 5894 H1 H2O C1965 6.426 29.826 44.961 0.00 0.00 -ATOM 5895 H2 H2O C1965 7.149 31.154 45.578 0.00 0.00 -ATOM 5896 O1 H2O C1966 27.478 28.068 44.187 0.00 0.00 -ATOM 5897 H1 H2O C1966 28.382 27.680 44.369 0.00 0.00 -ATOM 5898 H2 H2O C1966 27.099 28.441 45.034 0.00 0.00 -ATOM 5899 O1 H2O C1967 22.215 33.071 43.561 0.00 0.00 -ATOM 5900 H1 H2O C1967 22.865 33.091 42.800 0.00 0.00 -ATOM 5901 H2 H2O C1967 22.705 33.224 44.420 0.00 0.00 -ATOM 5902 O1 H2O C1968 36.750 38.004 32.451 0.00 0.00 -ATOM 5903 H1 H2O C1968 36.973 38.946 32.702 0.00 0.00 -ATOM 5904 H2 H2O C1968 37.426 37.664 31.798 0.00 0.00 -ATOM 5905 O1 H2O C1969 17.256 4.546 37.222 0.00 0.00 -ATOM 5906 H1 H2O C1969 17.421 5.527 37.325 0.00 0.00 -ATOM 5907 H2 H2O C1969 17.058 4.340 36.264 0.00 0.00 -ATOM 5908 O1 H2O C1970 34.442 7.979 54.043 0.00 0.00 -ATOM 5909 H1 H2O C1970 34.484 7.400 53.229 0.00 0.00 -ATOM 5910 H2 H2O C1970 35.069 8.751 53.936 0.00 0.00 -ATOM 5911 O1 H2O C1971 24.099 29.978 51.732 0.00 0.00 -ATOM 5912 H1 H2O C1971 24.838 30.636 51.884 0.00 0.00 -ATOM 5913 H2 H2O C1971 23.552 29.895 52.566 0.00 0.00 -ATOM 5914 O1 H2O C1972 52.525 29.000 5.587 0.00 0.00 -ATOM 5915 H1 H2O C1972 52.243 28.111 5.227 0.00 0.00 -ATOM 5916 H2 H2O C1972 51.731 29.605 5.642 0.00 0.00 -ATOM 5917 O1 H2O C1973 40.018 49.678 22.062 0.00 0.00 -ATOM 5918 H1 H2O C1973 39.066 49.830 22.330 0.00 0.00 -ATOM 5919 H2 H2O C1973 40.452 50.555 21.859 0.00 0.00 -ATOM 5920 O1 H2O C1974 41.902 39.950 52.887 0.00 0.00 -ATOM 5921 H1 H2O C1974 42.731 40.501 52.991 0.00 0.00 -ATOM 5922 H2 H2O C1974 41.143 40.540 52.610 0.00 0.00 -ATOM 5923 O1 H2O C1975 4.824 47.941 37.822 0.00 0.00 -ATOM 5924 H1 H2O C1975 5.026 48.731 37.242 0.00 0.00 -ATOM 5925 H2 H2O C1975 5.681 47.525 38.127 0.00 0.00 -ATOM 5926 O1 H2O C1976 21.075 30.479 12.306 0.00 0.00 -ATOM 5927 H1 H2O C1976 21.065 31.256 12.935 0.00 0.00 -ATOM 5928 H2 H2O C1976 20.357 29.832 12.565 0.00 0.00 -ATOM 5929 O1 H2O C1977 24.946 59.661 22.293 0.00 0.00 -ATOM 5930 H1 H2O C1977 24.258 59.774 23.010 0.00 0.00 -ATOM 5931 H2 H2O C1977 24.833 60.379 21.606 0.00 0.00 -ATOM 5932 O1 H2O C1978 52.267 58.815 25.168 0.00 0.00 -ATOM 5933 H1 H2O C1978 52.303 58.135 25.901 0.00 0.00 -ATOM 5934 H2 H2O C1978 51.860 59.659 25.516 0.00 0.00 -ATOM 5935 O1 H2O C1979 44.583 40.973 9.047 0.00 0.00 -ATOM 5936 H1 H2O C1979 44.541 40.054 8.655 0.00 0.00 -ATOM 5937 H2 H2O C1979 45.467 41.387 8.831 0.00 0.00 -ATOM 5938 O1 H2O C1980 22.999 17.795 1.914 0.00 0.00 -ATOM 5939 H1 H2O C1980 22.285 17.110 2.061 0.00 0.00 -ATOM 5940 H2 H2O C1980 23.097 17.969 0.934 0.00 0.00 -ATOM 5941 O1 H2O C1981 31.956 37.742 28.284 0.00 0.00 -ATOM 5942 H1 H2O C1981 31.404 37.867 27.460 0.00 0.00 -ATOM 5943 H2 H2O C1981 31.394 37.336 29.004 0.00 0.00 -ATOM 5944 O1 H2O C1982 25.972 36.378 40.424 0.00 0.00 -ATOM 5945 H1 H2O C1982 26.825 36.894 40.342 0.00 0.00 -ATOM 5946 H2 H2O C1982 25.662 36.397 41.374 0.00 0.00 -ATOM 5947 O1 H2O C1983 17.729 34.579 14.177 0.00 0.00 -ATOM 5948 H1 H2O C1983 18.596 34.106 14.335 0.00 0.00 -ATOM 5949 H2 H2O C1983 17.889 35.386 13.609 0.00 0.00 -ATOM 5950 O1 H2O C1984 42.269 3.963 24.615 0.00 0.00 -ATOM 5951 H1 H2O C1984 42.340 3.935 23.618 0.00 0.00 -ATOM 5952 H2 H2O C1984 43.065 4.436 24.993 0.00 0.00 -ATOM 5953 O1 H2O C1985 56.317 50.297 55.353 0.00 0.00 -ATOM 5954 H1 H2O C1985 57.250 50.147 55.683 0.00 0.00 -ATOM 5955 H2 H2O C1985 55.959 51.146 55.743 0.00 0.00 -ATOM 5956 O1 H2O C1986 27.932 41.480 36.093 0.00 0.00 -ATOM 5957 H1 H2O C1986 28.493 41.675 35.289 0.00 0.00 -ATOM 5958 H2 H2O C1986 28.425 41.755 36.918 0.00 0.00 -ATOM 5959 O1 H2O C1987 54.190 14.264 41.155 0.00 0.00 -ATOM 5960 H1 H2O C1987 53.754 13.625 40.522 0.00 0.00 -ATOM 5961 H2 H2O C1987 54.889 14.789 40.670 0.00 0.00 -ATOM 5962 O1 H2O C1988 31.123 17.363 59.215 0.00 0.00 -ATOM 5963 H1 H2O C1988 31.407 17.532 58.271 0.00 0.00 -ATOM 5964 H2 H2O C1988 31.905 17.487 59.826 0.00 0.00 -ATOM 5965 O1 H2O C1989 27.634 16.545 3.742 0.00 0.00 -ATOM 5966 H1 H2O C1989 27.934 15.859 4.405 0.00 0.00 -ATOM 5967 H2 H2O C1989 27.510 16.114 2.848 0.00 0.00 -ATOM 5968 O1 H2O C1990 46.490 50.067 40.371 0.00 0.00 -ATOM 5969 H1 H2O C1990 47.362 49.793 40.777 0.00 0.00 -ATOM 5970 H2 H2O C1990 46.345 51.045 40.520 0.00 0.00 -ATOM 5971 O1 H2O C1991 33.777 40.717 10.659 0.00 0.00 -ATOM 5972 H1 H2O C1991 33.710 40.472 11.626 0.00 0.00 -ATOM 5973 H2 H2O C1991 33.193 40.111 10.120 0.00 0.00 -ATOM 5974 O1 H2O C1992 43.373 17.027 3.179 0.00 0.00 -ATOM 5975 H1 H2O C1992 43.235 16.037 3.136 0.00 0.00 -ATOM 5976 H2 H2O C1992 42.575 17.492 2.797 0.00 0.00 -ATOM 5977 O1 H2O C1993 7.579 11.026 14.787 0.00 0.00 -ATOM 5978 H1 H2O C1993 7.253 10.110 14.553 0.00 0.00 -ATOM 5979 H2 H2O C1993 7.248 11.275 15.697 0.00 0.00 -ATOM 5980 O1 H2O C1994 20.898 37.569 10.345 0.00 0.00 -ATOM 5981 H1 H2O C1994 20.995 36.635 10.001 0.00 0.00 -ATOM 5982 H2 H2O C1994 21.507 38.177 9.835 0.00 0.00 -ATOM 5983 O1 H2O C1995 6.564 2.469 24.531 0.00 0.00 -ATOM 5984 H1 H2O C1995 6.190 2.581 25.452 0.00 0.00 -ATOM 5985 H2 H2O C1995 6.156 3.148 23.921 0.00 0.00 -ATOM 5986 O1 H2O C1996 57.457 52.625 30.145 0.00 0.00 -ATOM 5987 H1 H2O C1996 56.479 52.562 30.340 0.00 0.00 -ATOM 5988 H2 H2O C1996 57.840 53.419 30.617 0.00 0.00 -ATOM 5989 O1 H2O C1997 59.853 7.781 52.151 0.00 0.00 -ATOM 5990 H1 H2O C1997 59.276 7.954 52.950 0.00 0.00 -ATOM 5991 H2 H2O C1997 60.142 6.824 52.150 0.00 0.00 -ATOM 5992 O1 H2O C1998 19.328 41.369 38.320 0.00 0.00 -ATOM 5993 H1 H2O C1998 19.005 41.848 39.135 0.00 0.00 -ATOM 5994 H2 H2O C1998 19.372 42.008 37.552 0.00 0.00 -ATOM 5995 O1 H2O C1999 14.167 38.006 37.646 0.00 0.00 -ATOM 5996 H1 H2O C1999 14.032 38.997 37.617 0.00 0.00 -ATOM 5997 H2 H2O C1999 14.287 37.659 36.716 0.00 0.00 -ATOM 5998 O1 H2O C2000 4.504 33.222 29.576 0.00 0.00 -ATOM 5999 H1 H2O C2000 5.483 33.292 29.767 0.00 0.00 -ATOM 6000 H2 H2O C2000 3.999 33.820 30.198 0.00 0.00 -ATOM 6001 O1 H2O C2001 6.709 56.734 25.613 0.00 0.00 -ATOM 6002 H1 H2O C2001 7.443 56.672 24.937 0.00 0.00 -ATOM 6003 H2 H2O C2001 6.361 57.671 25.642 0.00 0.00 -ATOM 6004 O1 H2O C2002 11.613 10.922 34.999 0.00 0.00 -ATOM 6005 H1 H2O C2002 12.471 11.283 34.635 0.00 0.00 -ATOM 6006 H2 H2O C2002 11.446 10.012 34.619 0.00 0.00 -ATOM 6007 O1 H2O C2003 30.557 18.646 29.407 0.00 0.00 -ATOM 6008 H1 H2O C2003 29.679 19.089 29.222 0.00 0.00 -ATOM 6009 H2 H2O C2003 30.816 18.808 30.360 0.00 0.00 -ATOM 6010 O1 H2O C2004 58.035 59.248 2.879 0.00 0.00 -ATOM 6011 H1 H2O C2004 57.759 60.026 2.314 0.00 0.00 -ATOM 6012 H2 H2O C2004 57.351 58.523 2.805 0.00 0.00 -ATOM 6013 O1 H2O C2005 18.146 51.172 22.628 0.00 0.00 -ATOM 6014 H1 H2O C2005 18.107 52.138 22.373 0.00 0.00 -ATOM 6015 H2 H2O C2005 17.477 50.990 23.349 0.00 0.00 -ATOM 6016 O1 H2O C2006 24.254 47.465 49.209 0.00 0.00 -ATOM 6017 H1 H2O C2006 24.576 46.573 48.890 0.00 0.00 -ATOM 6018 H2 H2O C2006 25.010 47.958 49.639 0.00 0.00 -ATOM 6019 O1 H2O C2007 43.719 0.106 12.701 0.00 0.00 -ATOM 6020 H1 H2O C2007 44.065 1.037 12.582 0.00 0.00 -ATOM 6021 H2 H2O C2007 43.514 -0.052 13.667 0.00 0.00 -ATOM 6022 O1 H2O C2008 30.031 6.411 50.515 0.00 0.00 -ATOM 6023 H1 H2O C2008 29.756 7.051 51.232 0.00 0.00 -ATOM 6024 H2 H2O C2008 30.561 6.898 49.820 0.00 0.00 -ATOM 6025 O1 H2O C2009 2.304 6.713 31.048 0.00 0.00 -ATOM 6026 H1 H2O C2009 1.838 5.998 31.570 0.00 0.00 -ATOM 6027 H2 H2O C2009 3.294 6.587 31.123 0.00 0.00 -ATOM 6028 O1 H2O C2010 9.133 39.170 20.976 0.00 0.00 -ATOM 6029 H1 H2O C2010 8.831 40.118 21.076 0.00 0.00 -ATOM 6030 H2 H2O C2010 9.728 38.927 21.743 0.00 0.00 -ATOM 6031 O1 H2O C2011 30.614 37.583 44.286 0.00 0.00 -ATOM 6032 H1 H2O C2011 30.985 38.108 45.052 0.00 0.00 -ATOM 6033 H2 H2O C2011 29.617 37.545 44.361 0.00 0.00 -ATOM 6034 O1 H2O C2012 40.636 31.770 8.557 0.00 0.00 -ATOM 6035 H1 H2O C2012 39.959 31.124 8.911 0.00 0.00 -ATOM 6036 H2 H2O C2012 40.248 32.265 7.779 0.00 0.00 -ATOM 6037 O1 H2O C2013 54.894 58.837 52.563 0.00 0.00 -ATOM 6038 H1 H2O C2013 54.052 59.256 52.224 0.00 0.00 -ATOM 6039 H2 H2O C2013 55.232 59.356 53.348 0.00 0.00 -ATOM 6040 O1 H2O C2014 8.186 15.898 7.121 0.00 0.00 -ATOM 6041 H1 H2O C2014 7.207 16.064 7.246 0.00 0.00 -ATOM 6042 H2 H2O C2014 8.383 15.792 6.146 0.00 0.00 -ATOM 6043 O1 H2O C2015 18.009 54.068 23.500 0.00 0.00 -ATOM 6044 H1 H2O C2015 18.947 54.152 23.836 0.00 0.00 -ATOM 6045 H2 H2O C2015 17.373 54.135 24.269 0.00 0.00 -ATOM 6046 O1 H2O C2016 34.110 12.146 29.656 0.00 0.00 -ATOM 6047 H1 H2O C2016 34.652 12.929 29.960 0.00 0.00 -ATOM 6048 H2 H2O C2016 34.220 12.026 28.670 0.00 0.00 -ATOM 6049 O1 H2O C2017 58.657 38.848 53.522 0.00 0.00 -ATOM 6050 H1 H2O C2017 58.704 39.376 52.674 0.00 0.00 -ATOM 6051 H2 H2O C2017 59.359 39.171 54.156 0.00 0.00 -ATOM 6052 O1 H2O C2018 13.275 3.945 34.921 0.00 0.00 -ATOM 6053 H1 H2O C2018 13.395 3.021 34.557 0.00 0.00 -ATOM 6054 H2 H2O C2018 14.171 4.364 35.067 0.00 0.00 -ATOM 6055 O1 H2O C2019 14.088 46.523 54.615 0.00 0.00 -ATOM 6056 H1 H2O C2019 14.909 46.208 54.138 0.00 0.00 -ATOM 6057 H2 H2O C2019 13.426 45.776 54.668 0.00 0.00 -ATOM 6058 O1 H2O C2020 56.825 19.561 11.418 0.00 0.00 -ATOM 6059 H1 H2O C2020 56.922 19.575 12.413 0.00 0.00 -ATOM 6060 H2 H2O C2020 55.878 19.349 11.178 0.00 0.00 -ATOM 6061 O1 H2O C2021 3.613 9.597 22.774 0.00 0.00 -ATOM 6062 H1 H2O C2021 4.094 9.599 21.897 0.00 0.00 -ATOM 6063 H2 H2O C2021 3.969 10.335 23.349 0.00 0.00 -ATOM 6064 O1 H2O C2022 31.718 50.251 13.021 0.00 0.00 -ATOM 6065 H1 H2O C2022 32.548 50.167 12.469 0.00 0.00 -ATOM 6066 H2 H2O C2022 31.343 49.341 13.199 0.00 0.00 -ATOM 6067 O1 H2O C2023 22.423 17.863 37.002 0.00 0.00 -ATOM 6068 H1 H2O C2023 22.831 17.640 37.888 0.00 0.00 -ATOM 6069 H2 H2O C2023 22.220 18.842 36.965 0.00 0.00 -ATOM 6070 O1 H2O C2024 13.124 31.618 25.341 0.00 0.00 -ATOM 6071 H1 H2O C2024 12.606 30.992 24.757 0.00 0.00 -ATOM 6072 H2 H2O C2024 12.674 31.693 26.230 0.00 0.00 -ATOM 6073 O1 H2O C2025 37.950 11.325 31.480 0.00 0.00 -ATOM 6074 H1 H2O C2025 37.079 10.847 31.371 0.00 0.00 -ATOM 6075 H2 H2O C2025 38.622 10.943 30.845 0.00 0.00 -ATOM 6076 O1 H2O C2026 13.081 35.685 15.517 0.00 0.00 -ATOM 6077 H1 H2O C2026 12.692 36.425 14.970 0.00 0.00 -ATOM 6078 H2 H2O C2026 13.970 35.423 15.141 0.00 0.00 -ATOM 6079 O1 H2O C2027 10.731 32.169 36.327 0.00 0.00 -ATOM 6080 H1 H2O C2027 10.696 31.636 37.173 0.00 0.00 -ATOM 6081 H2 H2O C2027 11.394 32.911 36.427 0.00 0.00 -ATOM 6082 O1 H2O C2028 56.583 6.198 25.685 0.00 0.00 -ATOM 6083 H1 H2O C2028 57.138 5.375 25.562 0.00 0.00 -ATOM 6084 H2 H2O C2028 55.622 5.940 25.784 0.00 0.00 -ATOM 6085 O1 H2O C2029 51.274 48.440 49.600 0.00 0.00 -ATOM 6086 H1 H2O C2029 51.894 48.489 50.383 0.00 0.00 -ATOM 6087 H2 H2O C2029 50.415 48.901 49.825 0.00 0.00 -ATOM 6088 O1 H2O C2030 28.091 46.897 58.310 0.00 0.00 -ATOM 6089 H1 H2O C2030 27.666 46.263 57.664 0.00 0.00 -ATOM 6090 H2 H2O C2030 28.173 47.799 57.887 0.00 0.00 -ATOM 6091 O1 H2O C2031 3.665 49.604 29.345 0.00 0.00 -ATOM 6092 H1 H2O C2031 4.323 48.967 28.943 0.00 0.00 -ATOM 6093 H2 H2O C2031 2.736 49.267 29.186 0.00 0.00 -ATOM 6094 O1 H2O C2032 0.461 9.032 44.874 0.00 0.00 -ATOM 6095 H1 H2O C2032 0.916 9.217 44.003 0.00 0.00 -ATOM 6096 H2 H2O C2032 0.806 9.661 45.570 0.00 0.00 -ATOM 6097 O1 H2O C2033 45.094 23.192 38.106 0.00 0.00 -ATOM 6098 H1 H2O C2033 44.562 22.365 38.287 0.00 0.00 -ATOM 6099 H2 H2O C2033 45.607 23.444 38.927 0.00 0.00 -ATOM 6100 O1 H2O C2034 31.991 24.086 23.653 0.00 0.00 -ATOM 6101 H1 H2O C2034 32.775 24.705 23.617 0.00 0.00 -ATOM 6102 H2 H2O C2034 31.193 24.534 23.250 0.00 0.00 -ATOM 6103 O1 H2O C2035 24.227 44.219 11.235 0.00 0.00 -ATOM 6104 H1 H2O C2035 24.658 43.543 11.834 0.00 0.00 -ATOM 6105 H2 H2O C2035 24.339 45.132 11.629 0.00 0.00 -ATOM 6106 O1 H2O C2036 32.728 60.088 54.785 0.00 0.00 -ATOM 6107 H1 H2O C2036 33.159 59.530 55.495 0.00 0.00 -ATOM 6108 H2 H2O C2036 31.762 60.221 55.007 0.00 0.00 -ATOM 6109 O1 H2O C2037 15.771 0.923 21.955 0.00 0.00 -ATOM 6110 H1 H2O C2037 15.301 1.255 21.137 0.00 0.00 -ATOM 6111 H2 H2O C2037 16.555 0.365 21.685 0.00 0.00 -ATOM 6112 O1 H2O C2038 44.767 50.941 27.729 0.00 0.00 -ATOM 6113 H1 H2O C2038 44.032 50.764 27.074 0.00 0.00 -ATOM 6114 H2 H2O C2038 44.675 50.321 28.508 0.00 0.00 -ATOM 6115 O1 H2O C2039 9.914 26.275 46.977 0.00 0.00 -ATOM 6116 H1 H2O C2039 9.559 26.215 46.044 0.00 0.00 -ATOM 6117 H2 H2O C2039 9.472 25.581 47.546 0.00 0.00 -ATOM 6118 O1 H2O C2040 5.064 50.276 22.441 0.00 0.00 -ATOM 6119 H1 H2O C2040 5.191 49.335 22.754 0.00 0.00 -ATOM 6120 H2 H2O C2040 4.191 50.351 21.958 0.00 0.00 -ATOM 6121 O1 H2O C2041 0.454 3.783 36.669 0.00 0.00 -ATOM 6122 H1 H2O C2041 0.714 3.792 35.703 0.00 0.00 -ATOM 6123 H2 H2O C2041 1.171 4.219 37.212 0.00 0.00 -ATOM 6124 O1 H2O C2042 26.854 37.892 28.174 0.00 0.00 -ATOM 6125 H1 H2O C2042 27.822 38.037 28.378 0.00 0.00 -ATOM 6126 H2 H2O C2042 26.376 37.612 29.008 0.00 0.00 -ATOM 6127 O1 H2O C2043 29.910 48.732 11.673 0.00 0.00 -ATOM 6128 H1 H2O C2043 29.892 49.616 12.140 0.00 0.00 -ATOM 6129 H2 H2O C2043 29.384 48.793 10.824 0.00 0.00 -ATOM 6130 O1 H2O C2044 20.414 41.944 20.396 0.00 0.00 -ATOM 6131 H1 H2O C2044 21.245 41.399 20.282 0.00 0.00 -ATOM 6132 H2 H2O C2044 20.172 41.982 21.366 0.00 0.00 -ATOM 6133 O1 H2O C2045 51.544 44.657 23.063 0.00 0.00 -ATOM 6134 H1 H2O C2045 51.867 44.364 23.962 0.00 0.00 -ATOM 6135 H2 H2O C2045 52.211 44.393 22.366 0.00 0.00 -ATOM 6136 O1 H2O C2046 50.726 56.116 57.924 0.00 0.00 -ATOM 6137 H1 H2O C2046 49.999 56.617 57.454 0.00 0.00 -ATOM 6138 H2 H2O C2046 50.830 56.473 58.853 0.00 0.00 -ATOM 6139 O1 H2O C2047 0.612 41.558 27.588 0.00 0.00 -ATOM 6140 H1 H2O C2047 1.066 40.723 27.275 0.00 0.00 -ATOM 6141 H2 H2O C2047 -0.169 41.316 28.164 0.00 0.00 -ATOM 6142 O1 H2O C2048 28.408 24.678 13.605 0.00 0.00 -ATOM 6143 H1 H2O C2048 28.993 25.484 13.694 0.00 0.00 -ATOM 6144 H2 H2O C2048 28.029 24.441 14.500 0.00 0.00 -ATOM 6145 O1 H2O C2049 17.340 55.663 43.781 0.00 0.00 -ATOM 6146 H1 H2O C2049 17.647 54.818 43.341 0.00 0.00 -ATOM 6147 H2 H2O C2049 17.924 56.421 43.490 0.00 0.00 -ATOM 6148 O1 H2O C2050 7.412 45.671 15.479 0.00 0.00 -ATOM 6149 H1 H2O C2050 6.437 45.885 15.543 0.00 0.00 -ATOM 6150 H2 H2O C2050 7.798 45.603 16.399 0.00 0.00 -ATOM 6151 O1 H2O C2051 46.711 2.819 54.903 0.00 0.00 -ATOM 6152 H1 H2O C2051 47.616 3.232 54.798 0.00 0.00 -ATOM 6153 H2 H2O C2051 46.809 1.833 55.039 0.00 0.00 -ATOM 6154 O1 H2O C2052 40.075 9.717 47.722 0.00 0.00 -ATOM 6155 H1 H2O C2052 39.113 9.990 47.724 0.00 0.00 -ATOM 6156 H2 H2O C2052 40.652 10.534 47.726 0.00 0.00 -ATOM 6157 O1 H2O C2053 17.095 53.189 45.508 0.00 0.00 -ATOM 6158 H1 H2O C2053 16.652 52.331 45.247 0.00 0.00 -ATOM 6159 H2 H2O C2053 17.989 53.252 45.064 0.00 0.00 -ATOM 6160 O1 H2O C2054 44.991 37.953 19.138 0.00 0.00 -ATOM 6161 H1 H2O C2054 44.179 38.495 18.925 0.00 0.00 -ATOM 6162 H2 H2O C2054 45.578 37.900 18.329 0.00 0.00 -ATOM 6163 O1 H2O C2055 22.060 0.995 42.041 0.00 0.00 -ATOM 6164 H1 H2O C2055 22.451 0.182 41.610 0.00 0.00 -ATOM 6165 H2 H2O C2055 22.762 1.453 42.587 0.00 0.00 -ATOM 6166 O1 H2O C2056 49.358 57.528 43.852 0.00 0.00 -ATOM 6167 H1 H2O C2056 48.616 57.925 44.392 0.00 0.00 -ATOM 6168 H2 H2O C2056 49.646 58.181 43.151 0.00 0.00 -ATOM 6169 O1 H2O C2057 12.160 35.387 48.819 0.00 0.00 -ATOM 6170 H1 H2O C2057 11.640 35.176 49.647 0.00 0.00 -ATOM 6171 H2 H2O C2057 12.302 36.375 48.758 0.00 0.00 -ATOM 6172 O1 H2O C2058 1.743 51.339 23.242 0.00 0.00 -ATOM 6173 H1 H2O C2058 1.752 50.553 23.861 0.00 0.00 -ATOM 6174 H2 H2O C2058 1.655 52.181 23.773 0.00 0.00 -ATOM 6175 O1 H2O C2059 50.791 35.334 22.962 0.00 0.00 -ATOM 6176 H1 H2O C2059 51.698 34.920 23.044 0.00 0.00 -ATOM 6177 H2 H2O C2059 50.647 35.635 22.018 0.00 0.00 -ATOM 6178 O1 H2O C2060 33.506 9.277 48.800 0.00 0.00 -ATOM 6179 H1 H2O C2060 32.699 9.615 49.286 0.00 0.00 -ATOM 6180 H2 H2O C2060 33.560 9.714 47.901 0.00 0.00 -ATOM 6181 O1 H2O C2061 47.181 18.631 53.129 0.00 0.00 -ATOM 6182 H1 H2O C2061 47.758 19.135 52.487 0.00 0.00 -ATOM 6183 H2 H2O C2061 47.584 17.733 53.306 0.00 0.00 -ATOM 6184 O1 H2O C2062 43.066 23.496 30.610 0.00 0.00 -ATOM 6185 H1 H2O C2062 43.548 23.965 31.351 0.00 0.00 -ATOM 6186 H2 H2O C2062 43.467 22.590 30.473 0.00 0.00 -ATOM 6187 O1 H2O C2063 45.184 56.443 48.002 0.00 0.00 -ATOM 6188 H1 H2O C2063 46.127 56.246 47.735 0.00 0.00 -ATOM 6189 H2 H2O C2063 44.561 56.112 47.294 0.00 0.00 -ATOM 6190 O1 H2O C2064 55.055 20.468 30.513 0.00 0.00 -ATOM 6191 H1 H2O C2064 55.341 20.431 31.471 0.00 0.00 -ATOM 6192 H2 H2O C2064 54.146 20.878 30.452 0.00 0.00 -ATOM 6193 O1 H2O C2065 20.092 22.101 21.771 0.00 0.00 -ATOM 6194 H1 H2O C2065 20.173 21.405 21.057 0.00 0.00 -ATOM 6195 H2 H2O C2065 19.128 22.232 22.001 0.00 0.00 -ATOM 6196 O1 H2O C2066 10.578 20.105 47.196 0.00 0.00 -ATOM 6197 H1 H2O C2066 10.746 19.559 46.375 0.00 0.00 -ATOM 6198 H2 H2O C2066 11.316 19.954 47.854 0.00 0.00 -ATOM 6199 O1 H2O C2067 6.498 30.408 42.743 0.00 0.00 -ATOM 6200 H1 H2O C2067 6.171 30.595 41.817 0.00 0.00 -ATOM 6201 H2 H2O C2067 5.731 30.120 43.315 0.00 0.00 -ATOM 6202 O1 H2O C2068 9.286 25.398 41.037 0.00 0.00 -ATOM 6203 H1 H2O C2068 9.470 24.850 41.853 0.00 0.00 -ATOM 6204 H2 H2O C2068 8.299 25.458 40.890 0.00 0.00 -ATOM 6205 O1 H2O C2069 27.456 9.483 2.076 0.00 0.00 -ATOM 6206 H1 H2O C2069 26.828 9.150 2.779 0.00 0.00 -ATOM 6207 H2 H2O C2069 27.491 8.826 1.322 0.00 0.00 -ATOM 6208 O1 H2O C2070 10.485 38.178 3.906 0.00 0.00 -ATOM 6209 H1 H2O C2070 10.634 38.759 4.706 0.00 0.00 -ATOM 6210 H2 H2O C2070 10.557 37.217 4.174 0.00 0.00 -ATOM 6211 O1 H2O C2071 57.367 16.385 0.354 0.00 0.00 -ATOM 6212 H1 H2O C2071 58.056 16.972 -0.072 0.00 0.00 -ATOM 6213 H2 H2O C2071 57.142 16.741 1.262 0.00 0.00 -ATOM 6214 O1 H2O C2072 20.900 34.906 33.393 0.00 0.00 -ATOM 6215 H1 H2O C2072 20.085 35.255 33.856 0.00 0.00 -ATOM 6216 H2 H2O C2072 20.625 34.322 32.629 0.00 0.00 -ATOM 6217 O1 H2O C2073 51.917 9.012 36.102 0.00 0.00 -ATOM 6218 H1 H2O C2073 51.673 8.981 35.132 0.00 0.00 -ATOM 6219 H2 H2O C2073 52.774 9.517 36.213 0.00 0.00 -ATOM 6220 O1 H2O C2074 8.989 12.038 48.735 0.00 0.00 -ATOM 6221 H1 H2O C2074 8.149 12.576 48.808 0.00 0.00 -ATOM 6222 H2 H2O C2074 9.235 11.682 49.638 0.00 0.00 -ATOM 6223 O1 H2O C2075 7.191 50.330 45.751 0.00 0.00 -ATOM 6224 H1 H2O C2075 6.269 50.695 45.623 0.00 0.00 -ATOM 6225 H2 H2O C2075 7.780 50.645 45.007 0.00 0.00 -ATOM 6226 O1 H2O C2076 27.345 19.566 16.940 0.00 0.00 -ATOM 6227 H1 H2O C2076 28.255 19.268 16.647 0.00 0.00 -ATOM 6228 H2 H2O C2076 27.299 19.559 17.939 0.00 0.00 -ATOM 6229 O1 H2O C2077 4.081 50.755 22.433 0.00 0.00 -ATOM 6230 H1 H2O C2077 3.899 51.072 23.364 0.00 0.00 -ATOM 6231 H2 H2O C2077 3.619 51.357 21.780 0.00 0.00 -ATOM 6232 O1 H2O C2078 9.465 39.836 33.236 0.00 0.00 -ATOM 6233 H1 H2O C2078 10.018 39.771 32.405 0.00 0.00 -ATOM 6234 H2 H2O C2078 10.032 40.174 33.987 0.00 0.00 -ATOM 6235 O1 H2O C2079 28.788 6.691 28.015 0.00 0.00 -ATOM 6236 H1 H2O C2079 27.992 7.129 28.435 0.00 0.00 -ATOM 6237 H2 H2O C2079 29.624 7.088 28.393 0.00 0.00 -ATOM 6238 O1 H2O C2080 34.710 47.340 15.273 0.00 0.00 -ATOM 6239 H1 H2O C2080 34.194 46.500 15.444 0.00 0.00 -ATOM 6240 H2 H2O C2080 34.366 48.069 15.864 0.00 0.00 -ATOM 6241 O1 H2O C2081 31.257 14.211 59.612 0.00 0.00 -ATOM 6242 H1 H2O C2081 31.454 13.782 60.493 0.00 0.00 -ATOM 6243 H2 H2O C2081 30.267 14.306 59.502 0.00 0.00 -ATOM 6244 O1 H2O C2082 43.941 50.790 34.039 0.00 0.00 -ATOM 6245 H1 H2O C2082 44.752 50.215 33.935 0.00 0.00 -ATOM 6246 H2 H2O C2082 44.200 51.752 33.945 0.00 0.00 -ATOM 6247 O1 H2O C2083 52.421 54.805 4.958 0.00 0.00 -ATOM 6248 H1 H2O C2083 52.024 54.796 5.876 0.00 0.00 -ATOM 6249 H2 H2O C2083 51.743 54.480 4.299 0.00 0.00 -ATOM 6250 O1 H2O C2084 22.686 36.350 54.338 0.00 0.00 -ATOM 6251 H1 H2O C2084 22.943 35.777 53.559 0.00 0.00 -ATOM 6252 H2 H2O C2084 22.637 37.305 54.048 0.00 0.00 -ATOM 6253 O1 H2O C2085 40.138 14.499 17.742 0.00 0.00 -ATOM 6254 H1 H2O C2085 39.818 15.432 17.912 0.00 0.00 -ATOM 6255 H2 H2O C2085 39.359 13.918 17.506 0.00 0.00 -ATOM 6256 O1 H2O C2086 18.547 37.064 52.119 0.00 0.00 -ATOM 6257 H1 H2O C2086 17.743 36.695 51.653 0.00 0.00 -ATOM 6258 H2 H2O C2086 18.319 37.257 53.074 0.00 0.00 -ATOM 6259 O1 H2O C2087 48.820 57.987 53.327 0.00 0.00 -ATOM 6260 H1 H2O C2087 49.432 57.720 54.072 0.00 0.00 -ATOM 6261 H2 H2O C2087 48.407 57.170 52.926 0.00 0.00 -ATOM 6262 O1 H2O C2088 29.721 15.296 21.519 0.00 0.00 -ATOM 6263 H1 H2O C2088 30.690 15.063 21.609 0.00 0.00 -ATOM 6264 H2 H2O C2088 29.370 14.932 20.655 0.00 0.00 -ATOM 6265 O1 H2O C2089 37.235 40.754 42.612 0.00 0.00 -ATOM 6266 H1 H2O C2089 36.526 41.429 42.406 0.00 0.00 -ATOM 6267 H2 H2O C2089 37.458 40.791 43.586 0.00 0.00 -ATOM 6268 O1 H2O C2090 4.708 33.191 20.991 0.00 0.00 -ATOM 6269 H1 H2O C2090 5.249 32.450 21.389 0.00 0.00 -ATOM 6270 H2 H2O C2090 3.843 32.826 20.648 0.00 0.00 -ATOM 6271 O1 H2O C2091 20.865 21.552 14.071 0.00 0.00 -ATOM 6272 H1 H2O C2091 21.023 22.330 14.678 0.00 0.00 -ATOM 6273 H2 H2O C2091 21.067 21.818 13.128 0.00 0.00 -ATOM 6274 O1 H2O C2092 36.096 41.983 32.382 0.00 0.00 -ATOM 6275 H1 H2O C2092 35.541 42.814 32.346 0.00 0.00 -ATOM 6276 H2 H2O C2092 36.913 42.151 32.934 0.00 0.00 -ATOM 6277 O1 H2O C2093 24.585 59.457 0.479 0.00 0.00 -ATOM 6278 H1 H2O C2093 23.890 60.102 0.798 0.00 0.00 -ATOM 6279 H2 H2O C2093 24.859 59.695 -0.453 0.00 0.00 -ATOM 6280 O1 H2O C2094 48.684 14.225 35.199 0.00 0.00 -ATOM 6281 H1 H2O C2094 48.992 13.364 34.794 0.00 0.00 -ATOM 6282 H2 H2O C2094 47.836 14.070 35.706 0.00 0.00 -ATOM 6283 O1 H2O C2095 50.036 47.113 47.982 0.00 0.00 -ATOM 6284 H1 H2O C2095 49.404 46.437 48.360 0.00 0.00 -ATOM 6285 H2 H2O C2095 50.927 46.685 47.825 0.00 0.00 -ATOM 6286 O1 H2O C2096 37.155 18.239 16.270 0.00 0.00 -ATOM 6287 H1 H2O C2096 37.585 18.489 15.402 0.00 0.00 -ATOM 6288 H2 H2O C2096 37.767 18.476 17.025 0.00 0.00 -ATOM 6289 O1 H2O C2097 22.363 56.967 55.950 0.00 0.00 -ATOM 6290 H1 H2O C2097 22.496 56.199 55.324 0.00 0.00 -ATOM 6291 H2 H2O C2097 23.033 56.913 56.691 0.00 0.00 -ATOM 6292 O1 H2O C2098 53.354 43.934 38.730 0.00 0.00 -ATOM 6293 H1 H2O C2098 53.001 43.277 38.064 0.00 0.00 -ATOM 6294 H2 H2O C2098 52.787 43.912 39.553 0.00 0.00 -ATOM 6295 O1 H2O C2099 13.083 38.772 48.699 0.00 0.00 -ATOM 6296 H1 H2O C2099 13.500 39.239 47.919 0.00 0.00 -ATOM 6297 H2 H2O C2099 12.527 38.008 48.372 0.00 0.00 -ATOM 6298 O1 H2O C2100 25.861 35.037 37.515 0.00 0.00 -ATOM 6299 H1 H2O C2100 25.851 35.952 37.111 0.00 0.00 -ATOM 6300 H2 H2O C2100 26.379 35.055 38.369 0.00 0.00 -ATOM 6301 O1 H2O C2101 21.204 34.154 52.222 0.00 0.00 -ATOM 6302 H1 H2O C2101 20.894 34.344 53.154 0.00 0.00 -ATOM 6303 H2 H2O C2101 20.952 34.917 51.626 0.00 0.00 -ATOM 6304 O1 H2O C2102 2.635 24.671 19.956 0.00 0.00 -ATOM 6305 H1 H2O C2102 2.396 25.638 19.878 0.00 0.00 -ATOM 6306 H2 H2O C2102 2.499 24.369 20.900 0.00 0.00 -ATOM 6307 O1 H2O C2103 52.817 13.772 5.637 0.00 0.00 -ATOM 6308 H1 H2O C2103 53.103 14.454 6.310 0.00 0.00 -ATOM 6309 H2 H2O C2103 53.429 13.807 4.847 0.00 0.00 -ATOM 6310 O1 H2O C2104 1.892 36.937 47.968 0.00 0.00 -ATOM 6311 H1 H2O C2104 2.685 36.810 47.371 0.00 0.00 -ATOM 6312 H2 H2O C2104 2.053 36.472 48.839 0.00 0.00 -ATOM 6313 O1 H2O C2105 11.868 3.504 27.013 0.00 0.00 -ATOM 6314 H1 H2O C2105 12.751 3.220 27.388 0.00 0.00 -ATOM 6315 H2 H2O C2105 11.843 4.502 26.941 0.00 0.00 -ATOM 6316 O1 H2O C2106 54.762 27.950 46.678 0.00 0.00 -ATOM 6317 H1 H2O C2106 54.149 28.733 46.561 0.00 0.00 -ATOM 6318 H2 H2O C2106 55.165 27.709 45.794 0.00 0.00 -ATOM 6319 O1 H2O C2107 55.014 54.717 14.409 0.00 0.00 -ATOM 6320 H1 H2O C2107 55.135 55.389 13.679 0.00 0.00 -ATOM 6321 H2 H2O C2107 54.091 54.798 14.787 0.00 0.00 -ATOM 6322 O1 H2O C2108 41.268 9.245 12.133 0.00 0.00 -ATOM 6323 H1 H2O C2108 41.843 8.583 12.615 0.00 0.00 -ATOM 6324 H2 H2O C2108 41.024 8.880 11.234 0.00 0.00 -ATOM 6325 O1 H2O C2109 12.012 55.592 17.958 0.00 0.00 -ATOM 6326 H1 H2O C2109 12.153 56.434 17.436 0.00 0.00 -ATOM 6327 H2 H2O C2109 12.590 54.867 17.581 0.00 0.00 -ATOM 6328 O1 H2O C2110 42.755 15.786 2.132 0.00 0.00 -ATOM 6329 H1 H2O C2110 42.348 15.699 1.222 0.00 0.00 -ATOM 6330 H2 H2O C2110 42.213 16.421 2.681 0.00 0.00 -ATOM 6331 O1 H2O C2111 35.666 12.197 50.554 0.00 0.00 -ATOM 6332 H1 H2O C2111 36.453 12.057 49.952 0.00 0.00 -ATOM 6333 H2 H2O C2111 35.125 12.969 50.220 0.00 0.00 -ATOM 6334 O1 H2O C2112 20.817 7.402 29.918 0.00 0.00 -ATOM 6335 H1 H2O C2112 21.276 7.098 30.753 0.00 0.00 -ATOM 6336 H2 H2O C2112 21.402 8.050 29.432 0.00 0.00 -ATOM 6337 O1 H2O C2113 10.848 33.532 57.782 0.00 0.00 -ATOM 6338 H1 H2O C2113 11.731 33.067 57.850 0.00 0.00 -ATOM 6339 H2 H2O C2113 10.476 33.677 58.698 0.00 0.00 -ATOM 6340 O1 H2O C2114 40.108 47.009 27.305 0.00 0.00 -ATOM 6341 H1 H2O C2114 39.221 46.546 27.315 0.00 0.00 -ATOM 6342 H2 H2O C2114 40.321 47.338 28.226 0.00 0.00 -ATOM 6343 O1 H2O C2115 14.909 12.537 59.187 0.00 0.00 -ATOM 6344 H1 H2O C2115 15.437 11.802 59.614 0.00 0.00 -ATOM 6345 H2 H2O C2115 14.181 12.828 59.807 0.00 0.00 -ATOM 6346 O1 H2O C2116 47.292 45.666 8.192 0.00 0.00 -ATOM 6347 H1 H2O C2116 47.837 46.504 8.189 0.00 0.00 -ATOM 6348 H2 H2O C2116 46.617 45.704 7.456 0.00 0.00 -ATOM 6349 O1 H2O C2117 45.611 23.300 58.567 0.00 0.00 -ATOM 6350 H1 H2O C2117 44.735 23.664 58.250 0.00 0.00 -ATOM 6351 H2 H2O C2117 46.174 23.052 57.779 0.00 0.00 -ATOM 6352 O1 H2O C2118 28.895 19.986 54.595 0.00 0.00 -ATOM 6353 H1 H2O C2118 29.228 19.949 53.653 0.00 0.00 -ATOM 6354 H2 H2O C2118 28.037 20.499 54.625 0.00 0.00 -ATOM 6355 O1 H2O C2119 51.098 0.748 7.865 0.00 0.00 -ATOM 6356 H1 H2O C2119 50.213 0.937 7.438 0.00 0.00 -ATOM 6357 H2 H2O C2119 51.744 1.474 7.628 0.00 0.00 -ATOM 6358 O1 H2O C2120 57.957 7.754 16.170 0.00 0.00 -ATOM 6359 H1 H2O C2120 57.892 6.761 16.269 0.00 0.00 -ATOM 6360 H2 H2O C2120 58.915 8.034 16.227 0.00 0.00 -ATOM 6361 O1 H2O C2121 44.660 37.676 18.346 0.00 0.00 -ATOM 6362 H1 H2O C2121 45.420 37.800 17.708 0.00 0.00 -ATOM 6363 H2 H2O C2121 44.424 36.706 18.399 0.00 0.00 -ATOM 6364 O1 H2O C2122 16.401 56.535 50.024 0.00 0.00 -ATOM 6365 H1 H2O C2122 15.853 57.150 50.591 0.00 0.00 -ATOM 6366 H2 H2O C2122 17.325 56.904 49.927 0.00 0.00 -ATOM 6367 O1 H2O C2123 55.827 20.653 6.277 0.00 0.00 -ATOM 6368 H1 H2O C2123 55.169 20.936 6.974 0.00 0.00 -ATOM 6369 H2 H2O C2123 55.526 20.981 5.381 0.00 0.00 -ATOM 6370 O1 H2O C2124 3.555 32.896 16.506 0.00 0.00 -ATOM 6371 H1 H2O C2124 3.903 33.139 15.600 0.00 0.00 -ATOM 6372 H2 H2O C2124 3.462 31.902 16.571 0.00 0.00 -ATOM 6373 O1 H2O C2125 48.164 12.291 26.986 0.00 0.00 -ATOM 6374 H1 H2O C2125 47.676 12.780 26.262 0.00 0.00 -ATOM 6375 H2 H2O C2125 47.594 12.254 27.806 0.00 0.00 -ATOM 6376 O1 H2O C2126 55.822 37.724 23.397 0.00 0.00 -ATOM 6377 H1 H2O C2126 56.718 37.945 23.780 0.00 0.00 -ATOM 6378 H2 H2O C2126 55.456 38.524 22.922 0.00 0.00 -ATOM 6379 O1 H2O C2127 54.787 20.215 53.108 0.00 0.00 -ATOM 6380 H1 H2O C2127 55.053 20.805 53.871 0.00 0.00 -ATOM 6381 H2 H2O C2127 55.401 20.374 52.335 0.00 0.00 -ATOM 6382 O1 H2O C2128 30.205 48.481 36.849 0.00 0.00 -ATOM 6383 H1 H2O C2128 29.666 49.001 37.512 0.00 0.00 -ATOM 6384 H2 H2O C2128 30.813 49.103 36.355 0.00 0.00 -ATOM 6385 O1 H2O C2129 34.950 33.158 17.922 0.00 0.00 -ATOM 6386 H1 H2O C2129 34.386 32.391 18.228 0.00 0.00 -ATOM 6387 H2 H2O C2129 35.745 33.247 18.522 0.00 0.00 -ATOM 6388 O1 H2O C2130 49.510 45.734 38.022 0.00 0.00 -ATOM 6389 H1 H2O C2130 50.346 45.419 38.471 0.00 0.00 -ATOM 6390 H2 H2O C2130 49.141 45.001 37.450 0.00 0.00 -ATOM 6391 O1 H2O C2131 47.262 33.882 39.691 0.00 0.00 -ATOM 6392 H1 H2O C2131 47.537 34.271 40.571 0.00 0.00 -ATOM 6393 H2 H2O C2131 46.407 34.306 39.393 0.00 0.00 -ATOM 6394 O1 H2O C2132 54.195 47.568 29.648 0.00 0.00 -ATOM 6395 H1 H2O C2132 54.989 47.220 29.150 0.00 0.00 -ATOM 6396 H2 H2O C2132 53.995 46.966 30.421 0.00 0.00 -ATOM 6397 O1 H2O C2133 49.863 23.752 36.401 0.00 0.00 -ATOM 6398 H1 H2O C2133 49.014 23.810 35.875 0.00 0.00 -ATOM 6399 H2 H2O C2133 49.707 23.203 37.223 0.00 0.00 -ATOM 6400 O1 H2O C2134 37.458 46.459 32.481 0.00 0.00 -ATOM 6401 H1 H2O C2134 38.223 47.064 32.707 0.00 0.00 -ATOM 6402 H2 H2O C2134 36.658 47.011 32.243 0.00 0.00 -ATOM 6403 O1 H2O C2135 5.821 20.140 53.181 0.00 0.00 -ATOM 6404 H1 H2O C2135 5.536 20.936 52.647 0.00 0.00 -ATOM 6405 H2 H2O C2135 6.661 19.761 52.793 0.00 0.00 -ATOM 6406 O1 H2O C2136 14.995 30.681 40.042 0.00 0.00 -ATOM 6407 H1 H2O C2136 14.422 31.211 40.667 0.00 0.00 -ATOM 6408 H2 H2O C2136 15.957 30.813 40.278 0.00 0.00 -ATOM 6409 O1 H2O C2137 11.611 53.662 8.729 0.00 0.00 -ATOM 6410 H1 H2O C2137 12.586 53.868 8.645 0.00 0.00 -ATOM 6411 H2 H2O C2137 11.487 52.676 8.842 0.00 0.00 -ATOM 6412 O1 H2O C2138 55.122 18.176 14.557 0.00 0.00 -ATOM 6413 H1 H2O C2138 55.960 18.221 14.013 0.00 0.00 -ATOM 6414 H2 H2O C2138 55.345 17.897 15.491 0.00 0.00 -ATOM 6415 O1 H2O C2139 23.333 36.085 42.353 0.00 0.00 -ATOM 6416 H1 H2O C2139 23.039 35.390 41.697 0.00 0.00 -ATOM 6417 H2 H2O C2139 23.772 36.839 41.864 0.00 0.00 -ATOM 6418 O1 H2O C2140 30.413 58.027 30.509 0.00 0.00 -ATOM 6419 H1 H2O C2140 29.897 57.986 31.365 0.00 0.00 -ATOM 6420 H2 H2O C2140 31.249 58.557 30.648 0.00 0.00 -ATOM 6421 O1 H2O C2141 56.040 11.069 55.293 0.00 0.00 -ATOM 6422 H1 H2O C2141 56.415 10.142 55.296 0.00 0.00 -ATOM 6423 H2 H2O C2141 55.829 11.347 56.230 0.00 0.00 -ATOM 6424 O1 H2O C2142 29.550 57.358 10.609 0.00 0.00 -ATOM 6425 H1 H2O C2142 29.343 58.186 10.088 0.00 0.00 -ATOM 6426 H2 H2O C2142 29.131 56.568 10.162 0.00 0.00 -ATOM 6427 O1 H2O C2143 59.228 55.826 0.374 0.00 0.00 -ATOM 6428 H1 H2O C2143 58.378 56.044 -0.106 0.00 0.00 -ATOM 6429 H2 H2O C2143 59.055 55.788 1.358 0.00 0.00 -ATOM 6430 O1 H2O C2144 6.795 45.716 35.194 0.00 0.00 -ATOM 6431 H1 H2O C2144 7.383 44.979 35.525 0.00 0.00 -ATOM 6432 H2 H2O C2144 7.319 46.316 34.590 0.00 0.00 -ATOM 6433 O1 H2O C2145 10.439 32.228 20.325 0.00 0.00 -ATOM 6434 H1 H2O C2145 10.630 32.292 21.305 0.00 0.00 -ATOM 6435 H2 H2O C2145 9.800 31.476 20.159 0.00 0.00 -ATOM 6436 O1 H2O C2146 40.209 46.334 22.503 0.00 0.00 -ATOM 6437 H1 H2O C2146 40.988 45.772 22.223 0.00 0.00 -ATOM 6438 H2 H2O C2146 39.504 46.303 21.795 0.00 0.00 -ATOM 6439 O1 H2O C2147 58.380 48.761 33.012 0.00 0.00 -ATOM 6440 H1 H2O C2147 59.035 48.279 32.430 0.00 0.00 -ATOM 6441 H2 H2O C2147 58.298 49.710 32.707 0.00 0.00 -ATOM 6442 O1 H2O C2148 49.477 9.271 34.750 0.00 0.00 -ATOM 6443 H1 H2O C2148 48.534 8.944 34.813 0.00 0.00 -ATOM 6444 H2 H2O C2148 49.648 9.618 33.827 0.00 0.00 -ATOM 6445 O1 H2O C2149 8.589 54.424 2.032 0.00 0.00 -ATOM 6446 H1 H2O C2149 8.369 53.449 2.065 0.00 0.00 -ATOM 6447 H2 H2O C2149 9.396 54.602 2.594 0.00 0.00 -ATOM 6448 O1 H2O C2150 59.677 41.893 12.146 0.00 0.00 -ATOM 6449 H1 H2O C2150 58.681 41.804 12.123 0.00 0.00 -ATOM 6450 H2 H2O C2150 60.036 41.400 12.939 0.00 0.00 -ATOM 6451 O1 H2O C2151 28.092 38.077 23.559 0.00 0.00 -ATOM 6452 H1 H2O C2151 29.031 38.146 23.896 0.00 0.00 -ATOM 6453 H2 H2O C2151 27.524 38.764 24.012 0.00 0.00 -ATOM 6454 O1 H2O C2152 26.360 0.576 0.840 0.00 0.00 -ATOM 6455 H1 H2O C2152 25.632 1.137 0.444 0.00 0.00 -ATOM 6456 H2 H2O C2152 27.085 0.446 0.163 0.00 0.00 -ATOM 6457 O1 H2O C2153 7.302 46.752 19.384 0.00 0.00 -ATOM 6458 H1 H2O C2153 7.341 45.753 19.374 0.00 0.00 -ATOM 6459 H2 H2O C2153 7.952 47.118 18.718 0.00 0.00 -ATOM 6460 O1 H2O C2154 35.673 33.388 20.558 0.00 0.00 -ATOM 6461 H1 H2O C2154 35.829 32.705 19.844 0.00 0.00 -ATOM 6462 H2 H2O C2154 36.462 33.414 21.172 0.00 0.00 -ATOM 6463 O1 H2O C2155 52.383 55.882 45.585 0.00 0.00 -ATOM 6464 H1 H2O C2155 51.630 56.318 46.079 0.00 0.00 -ATOM 6465 H2 H2O C2155 53.045 55.519 46.241 0.00 0.00 -ATOM 6466 O1 H2O C2156 37.857 3.090 33.778 0.00 0.00 -ATOM 6467 H1 H2O C2156 37.872 4.090 33.781 0.00 0.00 -ATOM 6468 H2 H2O C2156 38.746 2.744 33.477 0.00 0.00 -ATOM 6469 O1 H2O C2157 38.768 31.970 2.087 0.00 0.00 -ATOM 6470 H1 H2O C2157 39.532 32.609 1.992 0.00 0.00 -ATOM 6471 H2 H2O C2157 38.482 31.934 3.046 0.00 0.00 -ATOM 6472 O1 H2O C2158 20.678 23.851 51.125 0.00 0.00 -ATOM 6473 H1 H2O C2158 19.785 24.239 50.897 0.00 0.00 -ATOM 6474 H2 H2O C2158 21.207 24.519 51.647 0.00 0.00 -ATOM 6475 O1 H2O C2159 13.605 31.939 40.581 0.00 0.00 -ATOM 6476 H1 H2O C2159 13.989 32.215 41.462 0.00 0.00 -ATOM 6477 H2 H2O C2159 13.881 32.594 39.878 0.00 0.00 -ATOM 6478 O1 H2O C2160 19.878 5.336 7.777 0.00 0.00 -ATOM 6479 H1 H2O C2160 19.685 4.487 7.285 0.00 0.00 -ATOM 6480 H2 H2O C2160 20.592 5.845 7.295 0.00 0.00 -ATOM 6481 O1 H2O C2161 46.856 12.089 46.169 0.00 0.00 -ATOM 6482 H1 H2O C2161 46.317 12.734 45.626 0.00 0.00 -ATOM 6483 H2 H2O C2161 47.451 12.597 46.793 0.00 0.00 -ATOM 6484 O1 H2O C2162 33.917 25.931 4.798 0.00 0.00 -ATOM 6485 H1 H2O C2162 33.483 25.194 5.317 0.00 0.00 -ATOM 6486 H2 H2O C2162 33.312 26.726 4.777 0.00 0.00 -ATOM 6487 O1 H2O C2163 51.465 24.045 31.204 0.00 0.00 -ATOM 6488 H1 H2O C2163 51.924 24.631 31.872 0.00 0.00 -ATOM 6489 H2 H2O C2163 51.674 23.087 31.402 0.00 0.00 -ATOM 6490 O1 H2O C2164 6.742 25.533 22.667 0.00 0.00 -ATOM 6491 H1 H2O C2164 6.203 24.702 22.804 0.00 0.00 -ATOM 6492 H2 H2O C2164 7.359 25.406 21.890 0.00 0.00 -ATOM 6493 O1 H2O C2165 10.215 30.481 41.708 0.00 0.00 -ATOM 6494 H1 H2O C2165 10.921 29.794 41.541 0.00 0.00 -ATOM 6495 H2 H2O C2165 10.631 31.298 42.107 0.00 0.00 -ATOM 6496 O1 H2O C2166 35.873 43.646 1.194 0.00 0.00 -ATOM 6497 H1 H2O C2166 36.288 43.810 0.299 0.00 0.00 -ATOM 6498 H2 H2O C2166 34.953 43.275 1.073 0.00 0.00 -ATOM 6499 O1 H2O C2167 51.885 27.779 16.326 0.00 0.00 -ATOM 6500 H1 H2O C2167 52.561 27.300 16.885 0.00 0.00 -ATOM 6501 H2 H2O C2167 51.588 27.183 15.580 0.00 0.00 -ATOM 6502 O1 H2O C2168 35.616 26.415 55.195 0.00 0.00 -ATOM 6503 H1 H2O C2168 36.197 26.673 55.967 0.00 0.00 -ATOM 6504 H2 H2O C2168 36.180 26.304 54.376 0.00 0.00 -ATOM 6505 O1 H2O C2169 8.672 45.381 43.774 0.00 0.00 -ATOM 6506 H1 H2O C2169 9.328 44.670 44.027 0.00 0.00 -ATOM 6507 H2 H2O C2169 8.148 45.653 44.580 0.00 0.00 -ATOM 6508 O1 H2O C2170 57.901 29.977 46.931 0.00 0.00 -ATOM 6509 H1 H2O C2170 57.401 30.816 46.715 0.00 0.00 -ATOM 6510 H2 H2O C2170 58.842 30.204 47.181 0.00 0.00 -ATOM 6511 O1 H2O C2171 57.734 27.391 37.001 0.00 0.00 -ATOM 6512 H1 H2O C2171 57.170 28.119 37.389 0.00 0.00 -ATOM 6513 H2 H2O C2171 58.614 27.769 36.712 0.00 0.00 -ATOM 6514 O1 H2O C2172 58.253 1.829 7.160 0.00 0.00 -ATOM 6515 H1 H2O C2172 57.888 1.045 7.662 0.00 0.00 -ATOM 6516 H2 H2O C2172 58.107 1.694 6.180 0.00 0.00 -ATOM 6517 O1 H2O C2173 56.053 18.518 16.512 0.00 0.00 -ATOM 6518 H1 H2O C2173 55.107 18.195 16.467 0.00 0.00 -ATOM 6519 H2 H2O C2173 56.566 17.953 17.159 0.00 0.00 -ATOM 6520 O1 H2O C2174 58.024 23.786 45.904 0.00 0.00 -ATOM 6521 H1 H2O C2174 57.727 23.310 46.732 0.00 0.00 -ATOM 6522 H2 H2O C2174 57.708 24.735 45.934 0.00 0.00 -ATOM 6523 O1 H2O C2175 16.685 26.362 40.723 0.00 0.00 -ATOM 6524 H1 H2O C2175 16.041 26.938 41.227 0.00 0.00 -ATOM 6525 H2 H2O C2175 16.211 25.917 39.963 0.00 0.00 -ATOM 6526 O1 H2O C2176 17.026 39.653 31.224 0.00 0.00 -ATOM 6527 H1 H2O C2176 17.425 38.774 31.485 0.00 0.00 -ATOM 6528 H2 H2O C2176 16.918 40.225 32.038 0.00 0.00 -ATOM 6529 O1 H2O C2177 4.097 5.242 18.212 0.00 0.00 -ATOM 6530 H1 H2O C2177 3.186 5.467 18.558 0.00 0.00 -ATOM 6531 H2 H2O C2177 4.343 5.881 17.483 0.00 0.00 -ATOM 6532 O1 H2O C2178 27.587 50.969 5.093 0.00 0.00 -ATOM 6533 H1 H2O C2178 27.767 49.985 5.051 0.00 0.00 -ATOM 6534 H2 H2O C2178 27.705 51.288 6.033 0.00 0.00 -ATOM 6535 O1 H2O C2179 41.216 52.548 52.450 0.00 0.00 -ATOM 6536 H1 H2O C2179 41.134 53.128 51.639 0.00 0.00 -ATOM 6537 H2 H2O C2179 42.035 52.809 52.963 0.00 0.00 -ATOM 6538 O1 H2O C2180 25.287 49.256 2.658 0.00 0.00 -ATOM 6539 H1 H2O C2180 25.016 50.205 2.818 0.00 0.00 -ATOM 6540 H2 H2O C2180 24.697 48.647 3.188 0.00 0.00 -ATOM 6541 O1 H2O C2181 54.288 52.424 40.447 0.00 0.00 -ATOM 6542 H1 H2O C2181 55.207 52.809 40.534 0.00 0.00 -ATOM 6543 H2 H2O C2181 54.350 51.493 40.086 0.00 0.00 -ATOM 6544 O1 H2O C2182 26.384 49.497 30.417 0.00 0.00 -ATOM 6545 H1 H2O C2182 25.703 50.221 30.303 0.00 0.00 -ATOM 6546 H2 H2O C2182 26.975 49.466 29.610 0.00 0.00 -ATOM 6547 O1 H2O C2183 53.287 20.804 14.409 0.00 0.00 -ATOM 6548 H1 H2O C2183 54.107 21.170 13.967 0.00 0.00 -ATOM 6549 H2 H2O C2183 53.301 19.805 14.360 0.00 0.00 -ATOM 6550 O1 H2O C2184 50.827 41.107 23.960 0.00 0.00 -ATOM 6551 H1 H2O C2184 50.919 40.111 23.995 0.00 0.00 -ATOM 6552 H2 H2O C2184 50.214 41.359 23.211 0.00 0.00 -ATOM 6553 O1 H2O C2185 41.093 49.849 16.682 0.00 0.00 -ATOM 6554 H1 H2O C2185 41.423 49.161 16.036 0.00 0.00 -ATOM 6555 H2 H2O C2185 40.496 49.413 17.356 0.00 0.00 -ATOM 6556 O1 H2O C2186 13.428 48.859 26.111 0.00 0.00 -ATOM 6557 H1 H2O C2186 14.036 48.869 25.317 0.00 0.00 -ATOM 6558 H2 H2O C2186 13.312 47.919 26.431 0.00 0.00 -ATOM 6559 O1 H2O C2187 4.154 40.659 45.860 0.00 0.00 -ATOM 6560 H1 H2O C2187 4.834 40.282 45.230 0.00 0.00 -ATOM 6561 H2 H2O C2187 3.672 39.912 46.316 0.00 0.00 -ATOM 6562 O1 H2O C2188 52.739 2.448 57.344 0.00 0.00 -ATOM 6563 H1 H2O C2188 51.805 2.755 57.157 0.00 0.00 -ATOM 6564 H2 H2O C2188 53.388 3.071 56.907 0.00 0.00 -ATOM 6565 O1 H2O C2189 0.737 3.583 48.567 0.00 0.00 -ATOM 6566 H1 H2O C2189 1.130 4.489 48.718 0.00 0.00 -ATOM 6567 H2 H2O C2189 0.861 3.024 49.387 0.00 0.00 -ATOM 6568 O1 H2O C2190 11.608 20.386 6.709 0.00 0.00 -ATOM 6569 H1 H2O C2190 11.947 21.118 6.117 0.00 0.00 -ATOM 6570 H2 H2O C2190 10.611 20.341 6.643 0.00 0.00 -ATOM 6571 O1 H2O C2191 38.946 11.742 26.924 0.00 0.00 -ATOM 6572 H1 H2O C2191 38.368 10.978 27.210 0.00 0.00 -ATOM 6573 H2 H2O C2191 39.060 11.721 25.931 0.00 0.00 -ATOM 6574 O1 H2O C2192 27.833 43.995 30.943 0.00 0.00 -ATOM 6575 H1 H2O C2192 28.643 44.519 31.204 0.00 0.00 -ATOM 6576 H2 H2O C2192 27.674 43.270 31.613 0.00 0.00 -ATOM 6577 O1 H2O C2193 30.410 9.588 54.251 0.00 0.00 -ATOM 6578 H1 H2O C2193 30.745 9.742 55.181 0.00 0.00 -ATOM 6579 H2 H2O C2193 30.054 10.445 53.879 0.00 0.00 -ATOM 6580 O1 H2O C2194 54.429 43.244 41.206 0.00 0.00 -ATOM 6581 H1 H2O C2194 54.403 43.920 40.469 0.00 0.00 -ATOM 6582 H2 H2O C2194 55.272 42.711 41.141 0.00 0.00 -ATOM 6583 O1 H2O C2195 37.651 28.815 24.962 0.00 0.00 -ATOM 6584 H1 H2O C2195 36.960 29.537 24.914 0.00 0.00 -ATOM 6585 H2 H2O C2195 38.475 29.171 25.402 0.00 0.00 -ATOM 6586 O1 H2O C2196 44.073 40.398 14.703 0.00 0.00 -ATOM 6587 H1 H2O C2196 44.676 39.861 14.111 0.00 0.00 -ATOM 6588 H2 H2O C2196 44.313 40.232 15.660 0.00 0.00 -ATOM 6589 O1 H2O C2197 18.234 16.936 0.412 0.00 0.00 -ATOM 6590 H1 H2O C2197 17.387 16.969 0.943 0.00 0.00 -ATOM 6591 H2 H2O C2197 18.407 17.832 0.003 0.00 0.00 -ATOM 6592 O1 H2O C2198 25.108 16.141 25.196 0.00 0.00 -ATOM 6593 H1 H2O C2198 24.739 16.260 24.273 0.00 0.00 -ATOM 6594 H2 H2O C2198 25.994 16.601 25.262 0.00 0.00 -ATOM 6595 O1 H2O C2199 54.940 1.893 4.679 0.00 0.00 -ATOM 6596 H1 H2O C2199 54.110 1.726 5.213 0.00 0.00 -ATOM 6597 H2 H2O C2199 55.693 1.355 5.060 0.00 0.00 -ATOM 6598 O1 H2O C2200 3.923 4.905 6.046 0.00 0.00 -ATOM 6599 H1 H2O C2200 4.585 5.304 5.411 0.00 0.00 -ATOM 6600 H2 H2O C2200 3.220 4.415 5.530 0.00 0.00 -ATOM 6601 O1 H2O C2201 7.588 13.392 52.640 0.00 0.00 -ATOM 6602 H1 H2O C2201 7.241 14.326 52.551 0.00 0.00 -ATOM 6603 H2 H2O C2201 7.801 13.206 53.599 0.00 0.00 -ATOM 6604 O1 H2O C2202 22.656 57.827 38.171 0.00 0.00 -ATOM 6605 H1 H2O C2202 22.096 58.108 38.951 0.00 0.00 -ATOM 6606 H2 H2O C2202 22.788 58.605 37.557 0.00 0.00 -ATOM 6607 O1 H2O C2203 14.750 15.790 5.948 0.00 0.00 -ATOM 6608 H1 H2O C2203 15.413 15.679 5.207 0.00 0.00 -ATOM 6609 H2 H2O C2203 14.212 16.618 5.792 0.00 0.00 -ATOM 6610 O1 H2O C2204 1.951 51.024 32.068 0.00 0.00 -ATOM 6611 H1 H2O C2204 2.144 51.028 31.087 0.00 0.00 -ATOM 6612 H2 H2O C2204 2.803 50.886 32.574 0.00 0.00 -ATOM 6613 O1 H2O C2205 55.046 3.891 49.845 0.00 0.00 -ATOM 6614 H1 H2O C2205 55.700 4.268 49.189 0.00 0.00 -ATOM 6615 H2 H2O C2205 55.540 3.408 50.568 0.00 0.00 -ATOM 6616 O1 H2O C2206 40.165 43.472 34.301 0.00 0.00 -ATOM 6617 H1 H2O C2206 40.401 44.433 34.451 0.00 0.00 -ATOM 6618 H2 H2O C2206 39.197 43.331 34.510 0.00 0.00 -ATOM 6619 O1 H2O C2207 2.393 39.510 43.700 0.00 0.00 -ATOM 6620 H1 H2O C2207 2.792 40.217 44.284 0.00 0.00 -ATOM 6621 H2 H2O C2207 2.929 38.669 43.781 0.00 0.00 -ATOM 6622 O1 H2O C2208 57.445 32.648 6.519 0.00 0.00 -ATOM 6623 H1 H2O C2208 57.787 31.974 5.865 0.00 0.00 -ATOM 6624 H2 H2O C2208 56.460 32.765 6.393 0.00 0.00 -ATOM 6625 O1 H2O C2209 21.878 9.612 52.309 0.00 0.00 -ATOM 6626 H1 H2O C2209 22.648 10.214 52.524 0.00 0.00 -ATOM 6627 H2 H2O C2209 21.890 9.393 51.333 0.00 0.00 -ATOM 6628 O1 H2O C2210 53.421 55.638 1.502 0.00 0.00 -ATOM 6629 H1 H2O C2210 52.914 54.926 1.987 0.00 0.00 -ATOM 6630 H2 H2O C2210 54.392 55.570 1.731 0.00 0.00 -ATOM 6631 O1 H2O C2211 23.858 24.308 27.325 0.00 0.00 -ATOM 6632 H1 H2O C2211 24.225 24.837 26.560 0.00 0.00 -ATOM 6633 H2 H2O C2211 24.086 23.342 27.203 0.00 0.00 -ATOM 6634 O1 H2O C2212 3.651 10.998 48.573 0.00 0.00 -ATOM 6635 H1 H2O C2212 3.440 10.684 49.499 0.00 0.00 -ATOM 6636 H2 H2O C2212 4.205 10.309 48.105 0.00 0.00 -ATOM 6637 O1 H2O C2213 8.066 39.616 20.510 0.00 0.00 -ATOM 6638 H1 H2O C2213 7.599 39.725 21.387 0.00 0.00 -ATOM 6639 H2 H2O C2213 7.521 39.025 19.914 0.00 0.00 -ATOM 6640 O1 H2O C2214 4.967 18.711 47.473 0.00 0.00 -ATOM 6641 H1 H2O C2214 4.398 18.294 48.182 0.00 0.00 -ATOM 6642 H2 H2O C2214 4.436 18.799 46.630 0.00 0.00 -ATOM 6643 O1 H2O C2215 34.196 50.090 11.798 0.00 0.00 -ATOM 6644 H1 H2O C2215 34.745 50.903 11.990 0.00 0.00 -ATOM 6645 H2 H2O C2215 33.818 49.733 12.652 0.00 0.00 -ATOM 6646 O1 H2O C2216 14.236 54.913 33.929 0.00 0.00 -ATOM 6647 H1 H2O C2216 14.969 55.207 34.542 0.00 0.00 -ATOM 6648 H2 H2O C2216 14.631 54.492 33.113 0.00 0.00 -ATOM 6649 O1 H2O C2217 9.630 18.054 22.454 0.00 0.00 -ATOM 6650 H1 H2O C2217 10.197 18.152 23.272 0.00 0.00 -ATOM 6651 H2 H2O C2217 9.722 18.870 21.884 0.00 0.00 -ATOM 6652 O1 H2O C2218 38.365 37.087 23.143 0.00 0.00 -ATOM 6653 H1 H2O C2218 38.902 37.429 22.371 0.00 0.00 -ATOM 6654 H2 H2O C2218 37.394 37.267 22.978 0.00 0.00 -ATOM 6655 O1 H2O C2219 38.945 54.907 29.183 0.00 0.00 -ATOM 6656 H1 H2O C2219 38.115 55.003 28.633 0.00 0.00 -ATOM 6657 H2 H2O C2219 39.738 55.184 28.640 0.00 0.00 -ATOM 6658 O1 H2O C2220 31.134 27.913 44.342 0.00 0.00 -ATOM 6659 H1 H2O C2220 30.971 26.926 44.314 0.00 0.00 -ATOM 6660 H2 H2O C2220 30.781 28.284 45.201 0.00 0.00 -ATOM 6661 O1 H2O C2221 44.761 9.025 0.844 0.00 0.00 -ATOM 6662 H1 H2O C2221 44.034 8.436 0.492 0.00 0.00 -ATOM 6663 H2 H2O C2221 45.584 8.909 0.287 0.00 0.00 -ATOM 6664 O1 H2O C2222 1.603 2.673 58.156 0.00 0.00 -ATOM 6665 H1 H2O C2222 2.122 3.365 58.657 0.00 0.00 -ATOM 6666 H2 H2O C2222 1.714 1.785 58.602 0.00 0.00 -ATOM 6667 O1 H2O C2223 35.842 46.497 16.080 0.00 0.00 -ATOM 6668 H1 H2O C2223 36.003 47.336 16.601 0.00 0.00 -ATOM 6669 H2 H2O C2223 36.187 45.714 16.598 0.00 0.00 -ATOM 6670 O1 H2O C2224 23.476 54.219 49.821 0.00 0.00 -ATOM 6671 H1 H2O C2224 22.769 54.880 50.074 0.00 0.00 -ATOM 6672 H2 H2O C2224 23.733 53.682 50.624 0.00 0.00 -ATOM 6673 O1 H2O C2225 20.272 12.798 28.764 0.00 0.00 -ATOM 6674 H1 H2O C2225 19.601 13.535 28.846 0.00 0.00 -ATOM 6675 H2 H2O C2225 19.976 12.156 28.057 0.00 0.00 -ATOM 6676 O1 H2O C2226 24.591 38.963 7.801 0.00 0.00 -ATOM 6677 H1 H2O C2226 23.791 38.915 8.399 0.00 0.00 -ATOM 6678 H2 H2O C2226 24.709 38.087 7.332 0.00 0.00 -ATOM 6679 O1 H2O C2227 57.986 40.728 29.615 0.00 0.00 -ATOM 6680 H1 H2O C2227 58.386 41.596 29.906 0.00 0.00 -ATOM 6681 H2 H2O C2227 57.582 40.266 30.404 0.00 0.00 -ATOM 6682 O1 H2O C2228 26.658 49.859 24.904 0.00 0.00 -ATOM 6683 H1 H2O C2228 26.394 49.096 25.495 0.00 0.00 -ATOM 6684 H2 H2O C2228 26.011 50.612 25.024 0.00 0.00 -ATOM 6685 O1 H2O C2229 4.979 30.700 7.464 0.00 0.00 -ATOM 6686 H1 H2O C2229 5.479 31.559 7.353 0.00 0.00 -ATOM 6687 H2 H2O C2229 5.114 30.128 6.655 0.00 0.00 -ATOM 6688 O1 H2O C2230 49.829 32.110 34.703 0.00 0.00 -ATOM 6689 H1 H2O C2230 49.043 31.762 35.214 0.00 0.00 -ATOM 6690 H2 H2O C2230 50.457 31.357 34.504 0.00 0.00 -ATOM 6691 O1 H2O C2231 30.782 1.997 9.436 0.00 0.00 -ATOM 6692 H1 H2O C2231 31.771 1.907 9.546 0.00 0.00 -ATOM 6693 H2 H2O C2231 30.353 1.098 9.532 0.00 0.00 -ATOM 6694 O1 H2O C2232 39.736 3.524 52.502 0.00 0.00 -ATOM 6695 H1 H2O C2232 38.898 3.718 53.014 0.00 0.00 -ATOM 6696 H2 H2O C2232 39.719 2.575 52.185 0.00 0.00 -ATOM 6697 O1 H2O C2233 13.783 10.375 5.371 0.00 0.00 -ATOM 6698 H1 H2O C2233 12.884 9.960 5.508 0.00 0.00 -ATOM 6699 H2 H2O C2233 14.347 9.770 4.808 0.00 0.00 -ATOM 6700 O1 H2O C2234 45.728 5.569 21.274 0.00 0.00 -ATOM 6701 H1 H2O C2234 45.090 4.838 21.029 0.00 0.00 -ATOM 6702 H2 H2O C2234 46.115 5.965 20.440 0.00 0.00 -ATOM 6703 O1 H2O C2235 56.191 45.667 1.833 0.00 0.00 -ATOM 6704 H1 H2O C2235 55.294 45.230 1.769 0.00 0.00 -ATOM 6705 H2 H2O C2235 56.328 46.263 1.042 0.00 0.00 -ATOM 6706 O1 H2O C2236 37.281 49.991 2.806 0.00 0.00 -ATOM 6707 H1 H2O C2236 38.117 50.197 2.297 0.00 0.00 -ATOM 6708 H2 H2O C2236 36.846 50.845 3.090 0.00 0.00 -ATOM 6709 O1 H2O C2237 31.245 24.038 4.620 0.00 0.00 -ATOM 6710 H1 H2O C2237 31.498 24.513 5.464 0.00 0.00 -ATOM 6711 H2 H2O C2237 31.297 23.050 4.767 0.00 0.00 -ATOM 6712 O1 H2O C2238 49.864 44.278 39.445 0.00 0.00 -ATOM 6713 H1 H2O C2238 50.102 45.205 39.735 0.00 0.00 -ATOM 6714 H2 H2O C2238 49.286 44.322 38.630 0.00 0.00 -ATOM 6715 O1 H2O C2239 17.851 57.779 49.001 0.00 0.00 -ATOM 6716 H1 H2O C2239 17.854 57.509 49.964 0.00 0.00 -ATOM 6717 H2 H2O C2239 17.352 58.639 48.897 0.00 0.00 -ATOM 6718 O1 H2O C2240 38.925 46.139 28.628 0.00 0.00 -ATOM 6719 H1 H2O C2240 38.510 45.293 28.294 0.00 0.00 -ATOM 6720 H2 H2O C2240 38.261 46.884 28.562 0.00 0.00 -ATOM 6721 O1 H2O C2241 11.184 27.969 45.731 0.00 0.00 -ATOM 6722 H1 H2O C2241 10.701 27.704 44.895 0.00 0.00 -ATOM 6723 H2 H2O C2241 12.061 28.386 45.489 0.00 0.00 -ATOM 6724 O1 H2O C2242 42.127 13.201 34.168 0.00 0.00 -ATOM 6725 H1 H2O C2242 42.546 13.659 34.952 0.00 0.00 -ATOM 6726 H2 H2O C2242 42.044 12.223 34.359 0.00 0.00 -ATOM 6727 O1 H2O C2243 48.812 11.932 35.228 0.00 0.00 -ATOM 6728 H1 H2O C2243 48.889 11.024 35.641 0.00 0.00 -ATOM 6729 H2 H2O C2243 48.622 12.607 35.941 0.00 0.00 -ATOM 6730 O1 H2O C2244 36.435 17.839 19.910 0.00 0.00 -ATOM 6731 H1 H2O C2244 35.683 18.095 19.303 0.00 0.00 -ATOM 6732 H2 H2O C2244 37.265 18.325 19.636 0.00 0.00 -ATOM 6733 O1 H2O C2245 4.696 11.954 34.637 0.00 0.00 -ATOM 6734 H1 H2O C2245 5.675 11.802 34.772 0.00 0.00 -ATOM 6735 H2 H2O C2245 4.323 12.443 35.426 0.00 0.00 -ATOM 6736 O1 H2O C2246 51.791 30.685 18.674 0.00 0.00 -ATOM 6737 H1 H2O C2246 52.787 30.589 18.657 0.00 0.00 -ATOM 6738 H2 H2O C2246 51.445 30.414 19.572 0.00 0.00 -ATOM 6739 O1 H2O C2247 18.273 48.195 19.839 0.00 0.00 -ATOM 6740 H1 H2O C2247 18.941 48.908 19.626 0.00 0.00 -ATOM 6741 H2 H2O C2247 17.413 48.618 20.124 0.00 0.00 -ATOM 6742 O1 H2O C2248 10.134 29.219 19.215 0.00 0.00 -ATOM 6743 H1 H2O C2248 10.263 28.299 19.586 0.00 0.00 -ATOM 6744 H2 H2O C2248 10.911 29.454 18.630 0.00 0.00 -ATOM 6745 O1 H2O C2249 42.125 0.162 2.336 0.00 0.00 -ATOM 6746 H1 H2O C2249 42.672 0.187 1.498 0.00 0.00 -ATOM 6747 H2 H2O C2249 41.160 0.290 2.107 0.00 0.00 -ATOM 6748 O1 H2O C2250 44.450 54.732 26.548 0.00 0.00 -ATOM 6749 H1 H2O C2250 44.904 55.541 26.172 0.00 0.00 -ATOM 6750 H2 H2O C2250 44.630 53.946 25.956 0.00 0.00 -ATOM 6751 O1 H2O C2251 51.859 31.535 8.044 0.00 0.00 -ATOM 6752 H1 H2O C2251 52.135 30.639 7.699 0.00 0.00 -ATOM 6753 H2 H2O C2251 50.863 31.615 8.007 0.00 0.00 -ATOM 6754 O1 H2O C2252 5.964 32.993 2.313 0.00 0.00 -ATOM 6755 H1 H2O C2252 5.574 32.369 1.634 0.00 0.00 -ATOM 6756 H2 H2O C2252 6.950 33.069 2.166 0.00 0.00 -ATOM 6757 O1 H2O C2253 37.883 16.859 7.426 0.00 0.00 -ATOM 6758 H1 H2O C2253 38.383 17.679 7.144 0.00 0.00 -ATOM 6759 H2 H2O C2253 36.903 17.006 7.294 0.00 0.00 -ATOM 6760 O1 H2O C2254 51.697 20.606 18.427 0.00 0.00 -ATOM 6761 H1 H2O C2254 52.492 20.137 18.043 0.00 0.00 -ATOM 6762 H2 H2O C2254 51.655 20.438 19.412 0.00 0.00 -ATOM 6763 O1 H2O C2255 4.638 12.621 13.978 0.00 0.00 -ATOM 6764 H1 H2O C2255 5.211 12.432 13.180 0.00 0.00 -ATOM 6765 H2 H2O C2255 3.682 12.692 13.691 0.00 0.00 -ATOM 6766 O1 H2O C2256 0.535 39.376 49.897 0.00 0.00 -ATOM 6767 H1 H2O C2256 0.603 40.008 50.670 0.00 0.00 -ATOM 6768 H2 H2O C2256 0.876 39.824 49.070 0.00 0.00 -ATOM 6769 O1 H2O C2257 56.847 26.608 41.101 0.00 0.00 -ATOM 6770 H1 H2O C2257 57.257 26.744 40.199 0.00 0.00 -ATOM 6771 H2 H2O C2257 57.221 27.278 41.742 0.00 0.00 -ATOM 6772 O1 H2O C2258 47.851 56.440 4.506 0.00 0.00 -ATOM 6773 H1 H2O C2258 48.320 57.308 4.339 0.00 0.00 -ATOM 6774 H2 H2O C2258 48.413 55.868 5.106 0.00 0.00 -ATOM 6775 O1 H2O C2259 3.125 49.553 9.922 0.00 0.00 -ATOM 6776 H1 H2O C2259 2.790 49.408 8.991 0.00 0.00 -ATOM 6777 H2 H2O C2259 2.946 48.737 10.471 0.00 0.00 -ATOM 6778 O1 H2O C2260 10.035 41.416 16.932 0.00 0.00 -ATOM 6779 H1 H2O C2260 11.005 41.321 17.156 0.00 0.00 -ATOM 6780 H2 H2O C2260 9.611 42.069 17.559 0.00 0.00 -ATOM 6781 O1 H2O C2261 6.606 19.876 18.650 0.00 0.00 -ATOM 6782 H1 H2O C2261 6.457 19.798 17.664 0.00 0.00 -ATOM 6783 H2 H2O C2261 7.333 19.248 18.928 0.00 0.00 -ATOM 6784 O1 H2O C2262 44.046 57.580 51.057 0.00 0.00 -ATOM 6785 H1 H2O C2262 44.783 58.066 51.530 0.00 0.00 -ATOM 6786 H2 H2O C2262 43.994 56.642 51.401 0.00 0.00 -ATOM 6787 O1 H2O C2263 26.398 44.066 33.695 0.00 0.00 -ATOM 6788 H1 H2O C2263 26.043 44.918 33.310 0.00 0.00 -ATOM 6789 H2 H2O C2263 26.501 43.389 32.966 0.00 0.00 -ATOM 6790 O1 H2O C2264 2.559 25.919 44.230 0.00 0.00 -ATOM 6791 H1 H2O C2264 3.559 25.905 44.276 0.00 0.00 -ATOM 6792 H2 H2O C2264 2.266 25.716 43.296 0.00 0.00 -ATOM 6793 O1 H2O C2265 59.217 19.298 41.212 0.00 0.00 -ATOM 6794 H1 H2O C2265 59.496 18.351 41.369 0.00 0.00 -ATOM 6795 H2 H2O C2265 60.015 19.841 40.949 0.00 0.00 -ATOM 6796 O1 H2O C2266 55.907 26.420 49.255 0.00 0.00 -ATOM 6797 H1 H2O C2266 56.349 25.523 49.224 0.00 0.00 -ATOM 6798 H2 H2O C2266 55.170 26.451 48.581 0.00 0.00 -ATOM 6799 O1 H2O C2267 5.227 35.624 3.791 0.00 0.00 -ATOM 6800 H1 H2O C2267 4.950 34.762 4.216 0.00 0.00 -ATOM 6801 H2 H2O C2267 5.108 35.560 2.800 0.00 0.00 -ATOM 6802 O1 H2O C2268 1.918 16.662 22.945 0.00 0.00 -ATOM 6803 H1 H2O C2268 2.680 16.570 23.586 0.00 0.00 -ATOM 6804 H2 H2O C2268 2.256 17.019 22.075 0.00 0.00 -ATOM 6805 O1 H2O C2269 57.109 34.220 32.760 0.00 0.00 -ATOM 6806 H1 H2O C2269 57.913 34.735 32.461 0.00 0.00 -ATOM 6807 H2 H2O C2269 56.882 33.528 32.074 0.00 0.00 -ATOM 6808 O1 H2O C2270 54.636 22.828 39.521 0.00 0.00 -ATOM 6809 H1 H2O C2270 54.855 21.861 39.650 0.00 0.00 -ATOM 6810 H2 H2O C2270 55.274 23.230 38.864 0.00 0.00 -ATOM 6811 O1 H2O C2271 8.289 12.663 52.146 0.00 0.00 -ATOM 6812 H1 H2O C2271 9.281 12.534 52.168 0.00 0.00 -ATOM 6813 H2 H2O C2271 7.859 11.874 51.708 0.00 0.00 -ATOM 6814 O1 H2O C2272 44.720 35.485 57.450 0.00 0.00 -ATOM 6815 H1 H2O C2272 44.905 36.466 57.380 0.00 0.00 -ATOM 6816 H2 H2O C2272 45.017 35.154 58.346 0.00 0.00 -ATOM 6817 O1 H2O C2273 6.993 30.347 18.140 0.00 0.00 -ATOM 6818 H1 H2O C2273 6.056 30.532 18.439 0.00 0.00 -ATOM 6819 H2 H2O C2273 7.368 31.163 17.699 0.00 0.00 -ATOM 6820 O1 H2O C2274 1.355 36.627 33.905 0.00 0.00 -ATOM 6821 H1 H2O C2274 2.111 37.280 33.860 0.00 0.00 -ATOM 6822 H2 H2O C2274 0.754 36.758 33.116 0.00 0.00 -ATOM 6823 O1 H2O C2275 51.423 3.754 20.753 0.00 0.00 -ATOM 6824 H1 H2O C2275 51.856 3.479 19.894 0.00 0.00 -ATOM 6825 H2 H2O C2275 51.908 3.335 21.520 0.00 0.00 -ATOM 6826 O1 H2O C2276 21.339 4.297 5.698 0.00 0.00 -ATOM 6827 H1 H2O C2276 22.145 4.171 5.120 0.00 0.00 -ATOM 6828 H2 H2O C2276 21.083 5.264 5.707 0.00 0.00 -ATOM 6829 O1 H2O C2277 38.984 23.419 16.079 0.00 0.00 -ATOM 6830 H1 H2O C2277 39.267 22.953 15.241 0.00 0.00 -ATOM 6831 H2 H2O C2277 39.524 24.252 16.196 0.00 0.00 -ATOM 6832 O1 H2O C2278 45.876 16.881 5.416 0.00 0.00 -ATOM 6833 H1 H2O C2278 45.003 16.659 5.852 0.00 0.00 -ATOM 6834 H2 H2O C2278 46.012 16.285 4.623 0.00 0.00 -ATOM 6835 O1 H2O C2279 36.025 22.040 9.844 0.00 0.00 -ATOM 6836 H1 H2O C2279 36.572 21.226 9.648 0.00 0.00 -ATOM 6837 H2 H2O C2279 35.091 21.900 9.516 0.00 0.00 -ATOM 6838 O1 H2O C2280 52.354 52.451 59.165 0.00 0.00 -ATOM 6839 H1 H2O C2280 53.301 52.247 59.413 0.00 0.00 -ATOM 6840 H2 H2O C2280 51.843 52.707 59.986 0.00 0.00 -ATOM 6841 O1 H2O C2281 37.181 57.692 14.086 0.00 0.00 -ATOM 6842 H1 H2O C2281 37.777 57.985 14.834 0.00 0.00 -ATOM 6843 H2 H2O C2281 36.944 56.728 14.206 0.00 0.00 -ATOM 6844 O1 H2O C2282 45.359 41.943 44.993 0.00 0.00 -ATOM 6845 H1 H2O C2282 46.185 42.362 45.370 0.00 0.00 -ATOM 6846 H2 H2O C2282 45.535 41.643 44.056 0.00 0.00 -ATOM 6847 O1 H2O C2283 45.951 34.078 60.061 0.00 0.00 -ATOM 6848 H1 H2O C2283 46.149 34.793 59.391 0.00 0.00 -ATOM 6849 H2 H2O C2283 46.808 33.670 60.376 0.00 0.00 -ATOM 6850 O1 H2O C2284 28.864 57.976 18.411 0.00 0.00 -ATOM 6851 H1 H2O C2284 28.325 57.557 17.680 0.00 0.00 -ATOM 6852 H2 H2O C2284 29.823 58.022 18.133 0.00 0.00 -ATOM 6853 O1 H2O C2285 39.470 29.170 33.778 0.00 0.00 -ATOM 6854 H1 H2O C2285 38.802 29.262 34.516 0.00 0.00 -ATOM 6855 H2 H2O C2285 39.305 28.317 33.283 0.00 0.00 -ATOM 6856 O1 H2O C2286 2.885 56.662 33.369 0.00 0.00 -ATOM 6857 H1 H2O C2286 2.294 55.941 33.731 0.00 0.00 -ATOM 6858 H2 H2O C2286 3.335 57.136 34.126 0.00 0.00 -ATOM 6859 O1 H2O C2287 56.759 45.593 17.205 0.00 0.00 -ATOM 6860 H1 H2O C2287 57.163 45.388 16.313 0.00 0.00 -ATOM 6861 H2 H2O C2287 57.153 46.440 17.561 0.00 0.00 -ATOM 6862 O1 H2O C2288 42.525 17.858 15.120 0.00 0.00 -ATOM 6863 H1 H2O C2288 43.225 17.999 15.820 0.00 0.00 -ATOM 6864 H2 H2O C2288 41.939 17.092 15.384 0.00 0.00 -ATOM 6865 O1 H2O C2289 46.966 5.300 49.367 0.00 0.00 -ATOM 6866 H1 H2O C2289 47.893 5.168 49.716 0.00 0.00 -ATOM 6867 H2 H2O C2289 46.982 5.966 48.621 0.00 0.00 -ATOM 6868 O1 H2O C2290 30.917 14.994 21.680 0.00 0.00 -ATOM 6869 H1 H2O C2290 31.157 14.421 22.463 0.00 0.00 -ATOM 6870 H2 H2O C2290 31.699 15.564 21.431 0.00 0.00 -ATOM 6871 O1 H2O C2291 10.873 56.946 26.344 0.00 0.00 -ATOM 6872 H1 H2O C2291 11.870 56.913 26.272 0.00 0.00 -ATOM 6873 H2 H2O C2291 10.517 56.020 26.470 0.00 0.00 -ATOM 6874 O1 H2O C2292 16.035 7.250 1.749 0.00 0.00 -ATOM 6875 H1 H2O C2292 15.958 7.212 2.745 0.00 0.00 -ATOM 6876 H2 H2O C2292 16.644 7.999 1.490 0.00 0.00 -ATOM 6877 O1 H2O C2293 29.950 23.745 17.430 0.00 0.00 -ATOM 6878 H1 H2O C2293 29.713 22.923 16.911 0.00 0.00 -ATOM 6879 H2 H2O C2293 29.330 24.488 17.177 0.00 0.00 -ATOM 6880 O1 H2O C2294 42.019 7.532 3.586 0.00 0.00 -ATOM 6881 H1 H2O C2294 41.300 8.222 3.494 0.00 0.00 -ATOM 6882 H2 H2O C2294 42.065 7.225 4.537 0.00 0.00 -ATOM 6883 O1 H2O C2295 51.917 24.900 26.466 0.00 0.00 -ATOM 6884 H1 H2O C2295 50.931 24.933 26.300 0.00 0.00 -ATOM 6885 H2 H2O C2295 52.143 25.491 27.241 0.00 0.00 -ATOM 6886 O1 H2O C2296 16.852 58.325 16.278 0.00 0.00 -ATOM 6887 H1 H2O C2296 15.959 58.297 15.828 0.00 0.00 -ATOM 6888 H2 H2O C2296 16.746 58.683 17.206 0.00 0.00 -ATOM 6889 O1 H2O C2297 53.185 9.812 19.624 0.00 0.00 -ATOM 6890 H1 H2O C2297 53.126 8.876 19.279 0.00 0.00 -ATOM 6891 H2 H2O C2297 52.682 10.425 19.014 0.00 0.00 -ATOM 6892 O1 H2O C2298 38.718 54.696 9.492 0.00 0.00 -ATOM 6893 H1 H2O C2298 39.694 54.828 9.664 0.00 0.00 -ATOM 6894 H2 H2O C2298 38.592 54.275 8.594 0.00 0.00 -ATOM 6895 O1 H2O C2299 44.446 17.383 8.522 0.00 0.00 -ATOM 6896 H1 H2O C2299 45.244 17.919 8.242 0.00 0.00 -ATOM 6897 H2 H2O C2299 44.127 17.704 9.415 0.00 0.00 -ATOM 6898 O1 H2O C2300 24.894 49.443 14.765 0.00 0.00 -ATOM 6899 H1 H2O C2300 24.744 49.748 15.705 0.00 0.00 -ATOM 6900 H2 H2O C2300 25.799 49.739 14.459 0.00 0.00 -ATOM 6901 O1 H2O C2301 56.281 48.526 40.573 0.00 0.00 -ATOM 6902 H1 H2O C2301 55.297 48.512 40.747 0.00 0.00 -ATOM 6903 H2 H2O C2301 56.446 48.697 39.601 0.00 0.00 -ATOM 6904 O1 H2O C2302 51.858 40.219 34.250 0.00 0.00 -ATOM 6905 H1 H2O C2302 51.732 39.924 33.302 0.00 0.00 -ATOM 6906 H2 H2O C2302 52.558 40.933 34.285 0.00 0.00 -ATOM 6907 O1 H2O C2303 12.979 18.467 56.652 0.00 0.00 -ATOM 6908 H1 H2O C2303 13.906 18.699 56.357 0.00 0.00 -ATOM 6909 H2 H2O C2303 12.967 18.340 57.644 0.00 0.00 -ATOM 6910 O1 H2O C2304 10.312 52.152 33.305 0.00 0.00 -ATOM 6911 H1 H2O C2304 9.399 51.826 33.057 0.00 0.00 -ATOM 6912 H2 H2O C2304 10.937 52.007 32.537 0.00 0.00 -ATOM 6913 O1 H2O C2305 18.088 13.789 1.349 0.00 0.00 -ATOM 6914 H1 H2O C2305 17.570 13.163 0.765 0.00 0.00 -ATOM 6915 H2 H2O C2305 17.702 13.780 2.272 0.00 0.00 -ATOM 6916 O1 H2O C2306 11.466 51.763 59.593 0.00 0.00 -ATOM 6917 H1 H2O C2306 11.664 50.973 59.012 0.00 0.00 -ATOM 6918 H2 H2O C2306 11.246 52.552 59.019 0.00 0.00 -ATOM 6919 O1 H2O C2307 52.919 17.763 33.504 0.00 0.00 -ATOM 6920 H1 H2O C2307 52.027 17.613 33.078 0.00 0.00 -ATOM 6921 H2 H2O C2307 53.394 18.503 33.029 0.00 0.00 -ATOM 6922 O1 H2O C2308 26.013 28.060 54.116 0.00 0.00 -ATOM 6923 H1 H2O C2308 25.081 28.423 54.072 0.00 0.00 -ATOM 6924 H2 H2O C2308 26.448 28.154 53.220 0.00 0.00 -ATOM 6925 O1 H2O C2309 41.015 17.054 56.340 0.00 0.00 -ATOM 6926 H1 H2O C2309 41.104 16.063 56.450 0.00 0.00 -ATOM 6927 H2 H2O C2309 40.764 17.261 55.394 0.00 0.00 -ATOM 6928 O1 H2O C2310 7.935 6.378 53.871 0.00 0.00 -ATOM 6929 H1 H2O C2310 8.093 5.409 54.061 0.00 0.00 -ATOM 6930 H2 H2O C2310 7.917 6.888 54.732 0.00 0.00 -ATOM 6931 O1 H2O C2311 23.490 5.731 27.645 0.00 0.00 -ATOM 6932 H1 H2O C2311 24.454 5.982 27.548 0.00 0.00 -ATOM 6933 H2 H2O C2311 23.373 5.175 28.469 0.00 0.00 -ATOM 6934 O1 H2O C2312 38.022 26.306 54.718 0.00 0.00 -ATOM 6935 H1 H2O C2312 37.145 26.683 54.421 0.00 0.00 -ATOM 6936 H2 H2O C2312 38.754 26.953 54.501 0.00 0.00 -ATOM 6937 O1 H2O C2313 31.495 40.856 26.125 0.00 0.00 -ATOM 6938 H1 H2O C2313 30.884 41.647 26.141 0.00 0.00 -ATOM 6939 H2 H2O C2313 32.091 40.879 26.928 0.00 0.00 -ATOM 6940 O1 H2O C2314 36.439 22.657 32.068 0.00 0.00 -ATOM 6941 H1 H2O C2314 37.195 22.562 32.716 0.00 0.00 -ATOM 6942 H2 H2O C2314 36.147 23.612 32.033 0.00 0.00 -ATOM 6943 O1 H2O C2315 29.016 28.889 22.451 0.00 0.00 -ATOM 6944 H1 H2O C2315 28.020 28.944 22.373 0.00 0.00 -ATOM 6945 H2 H2O C2315 29.436 29.447 21.735 0.00 0.00 -ATOM 6946 O1 H2O C2316 13.329 3.901 39.464 0.00 0.00 -ATOM 6947 H1 H2O C2316 13.878 4.735 39.528 0.00 0.00 -ATOM 6948 H2 H2O C2316 13.918 3.134 39.211 0.00 0.00 -ATOM 6949 O1 H2O C2317 29.190 41.786 2.467 0.00 0.00 -ATOM 6950 H1 H2O C2317 29.375 41.660 1.492 0.00 0.00 -ATOM 6951 H2 H2O C2317 29.446 40.956 2.964 0.00 0.00 -ATOM 6952 O1 H2O C2318 4.161 5.900 20.205 0.00 0.00 -ATOM 6953 H1 H2O C2318 3.637 5.285 19.617 0.00 0.00 -ATOM 6954 H2 H2O C2318 3.836 5.819 21.147 0.00 0.00 -ATOM 6955 O1 H2O C2319 44.467 27.313 4.408 0.00 0.00 -ATOM 6956 H1 H2O C2319 44.170 26.504 4.916 0.00 0.00 -ATOM 6957 H2 H2O C2319 44.541 27.088 3.437 0.00 0.00 -ATOM 6958 O1 H2O C2320 48.635 22.120 57.521 0.00 0.00 -ATOM 6959 H1 H2O C2320 49.550 21.737 57.652 0.00 0.00 -ATOM 6960 H2 H2O C2320 48.042 21.832 58.274 0.00 0.00 -ATOM 6961 O1 H2O C2321 35.720 22.670 36.419 0.00 0.00 -ATOM 6962 H1 H2O C2321 35.174 22.845 35.600 0.00 0.00 -ATOM 6963 H2 H2O C2321 35.335 23.176 37.191 0.00 0.00 -ATOM 6964 O1 H2O C2322 29.738 8.541 6.973 0.00 0.00 -ATOM 6965 H1 H2O C2322 29.602 8.436 5.988 0.00 0.00 -ATOM 6966 H2 H2O C2322 28.990 9.082 7.358 0.00 0.00 -ATOM 6967 O1 H2O C2323 30.264 48.016 1.399 0.00 0.00 -ATOM 6968 H1 H2O C2323 29.996 47.084 1.644 0.00 0.00 -ATOM 6969 H2 H2O C2323 30.963 48.340 2.037 0.00 0.00 -ATOM 6970 O1 H2O C2324 23.350 54.117 47.316 0.00 0.00 -ATOM 6971 H1 H2O C2324 22.994 53.940 46.398 0.00 0.00 -ATOM 6972 H2 H2O C2324 23.695 53.266 47.710 0.00 0.00 -ATOM 6973 O1 H2O C2325 32.777 14.645 28.530 0.00 0.00 -ATOM 6974 H1 H2O C2325 33.018 13.691 28.711 0.00 0.00 -ATOM 6975 H2 H2O C2325 33.612 15.184 28.417 0.00 0.00 -ATOM 6976 O1 H2O C2326 54.321 57.356 15.305 0.00 0.00 -ATOM 6977 H1 H2O C2326 54.832 57.163 16.142 0.00 0.00 -ATOM 6978 H2 H2O C2326 53.434 57.753 15.541 0.00 0.00 -ATOM 6979 O1 H2O C2327 25.981 26.975 10.423 0.00 0.00 -ATOM 6980 H1 H2O C2327 26.718 26.694 11.038 0.00 0.00 -ATOM 6981 H2 H2O C2327 25.826 27.959 10.517 0.00 0.00 -ATOM 6982 O1 H2O C2328 11.544 6.581 23.703 0.00 0.00 -ATOM 6983 H1 H2O C2328 12.095 6.678 24.532 0.00 0.00 -ATOM 6984 H2 H2O C2328 10.603 6.859 23.894 0.00 0.00 -ATOM 6985 O1 H2O C2329 29.055 20.982 50.681 0.00 0.00 -ATOM 6986 H1 H2O C2329 28.917 20.157 50.132 0.00 0.00 -ATOM 6987 H2 H2O C2329 29.176 20.727 51.641 0.00 0.00 -ATOM 6988 O1 H2O C2330 32.794 49.936 9.197 0.00 0.00 -ATOM 6989 H1 H2O C2330 32.090 50.645 9.151 0.00 0.00 -ATOM 6990 H2 H2O C2330 32.547 49.265 9.896 0.00 0.00 -ATOM 6991 O1 H2O C2331 59.859 9.945 19.048 0.00 0.00 -ATOM 6992 H1 H2O C2331 60.225 10.042 19.973 0.00 0.00 -ATOM 6993 H2 H2O C2331 59.057 10.533 18.944 0.00 0.00 -ATOM 6994 O1 H2O C2332 44.641 53.628 51.534 0.00 0.00 -ATOM 6995 H1 H2O C2332 43.987 52.886 51.380 0.00 0.00 -ATOM 6996 H2 H2O C2332 44.449 54.377 50.898 0.00 0.00 -ATOM 6997 O1 H2O C2333 31.520 19.033 1.639 0.00 0.00 -ATOM 6998 H1 H2O C2333 30.600 19.426 1.620 0.00 0.00 -ATOM 6999 H2 H2O C2333 31.948 19.145 0.741 0.00 0.00 -ATOM 7000 O1 H2O C2334 33.033 41.874 58.241 0.00 0.00 -ATOM 7001 H1 H2O C2334 32.341 42.578 58.401 0.00 0.00 -ATOM 7002 H2 H2O C2334 33.285 41.450 59.110 0.00 0.00 -ATOM 7003 O1 H2O C2335 25.224 51.656 11.458 0.00 0.00 -ATOM 7004 H1 H2O C2335 26.132 52.068 11.378 0.00 0.00 -ATOM 7005 H2 H2O C2335 25.204 51.042 12.246 0.00 0.00 -ATOM 7006 O1 H2O C2336 22.672 32.192 47.672 0.00 0.00 -ATOM 7007 H1 H2O C2336 21.890 31.691 48.044 0.00 0.00 -ATOM 7008 H2 H2O C2336 22.590 32.245 46.676 0.00 0.00 -ATOM 7009 O1 H2O C2337 37.302 6.168 2.076 0.00 0.00 -ATOM 7010 H1 H2O C2337 38.211 6.442 2.389 0.00 0.00 -ATOM 7011 H2 H2O C2337 36.879 5.574 2.760 0.00 0.00 -ATOM 7012 O1 H2O C2338 18.433 1.463 9.369 0.00 0.00 -ATOM 7013 H1 H2O C2338 19.051 0.690 9.223 0.00 0.00 -ATOM 7014 H2 H2O C2338 17.729 1.465 8.659 0.00 0.00 -ATOM 7015 O1 H2O C2339 55.386 27.693 29.176 0.00 0.00 -ATOM 7016 H1 H2O C2339 54.968 27.926 30.054 0.00 0.00 -ATOM 7017 H2 H2O C2339 54.690 27.316 28.565 0.00 0.00 -ATOM 7018 O1 H2O C2340 31.230 14.223 30.894 0.00 0.00 -ATOM 7019 H1 H2O C2340 32.217 14.290 31.044 0.00 0.00 -ATOM 7020 H2 H2O C2340 30.759 14.884 31.478 0.00 0.00 -ATOM 7021 O1 H2O C2341 6.289 33.498 13.865 0.00 0.00 -ATOM 7022 H1 H2O C2341 6.940 34.239 13.697 0.00 0.00 -ATOM 7023 H2 H2O C2341 6.234 32.913 13.055 0.00 0.00 -ATOM 7024 O1 H2O C2342 26.666 53.166 60.065 0.00 0.00 -ATOM 7025 H1 H2O C2342 26.801 52.916 59.106 0.00 0.00 -ATOM 7026 H2 H2O C2342 25.922 52.619 60.450 0.00 0.00 -ATOM 7027 O1 H2O C2343 15.514 45.525 25.158 0.00 0.00 -ATOM 7028 H1 H2O C2343 16.349 45.012 24.957 0.00 0.00 -ATOM 7029 H2 H2O C2343 15.471 46.334 24.571 0.00 0.00 -ATOM 7030 O1 H2O C2344 34.886 18.909 0.125 0.00 0.00 -ATOM 7031 H1 H2O C2344 34.638 18.111 -0.425 0.00 0.00 -ATOM 7032 H2 H2O C2344 35.125 18.615 1.050 0.00 0.00 -ATOM 7033 O1 H2O C2345 31.361 23.523 6.975 0.00 0.00 -ATOM 7034 H1 H2O C2345 32.006 23.369 7.724 0.00 0.00 -ATOM 7035 H2 H2O C2345 31.603 24.365 6.494 0.00 0.00 -ATOM 7036 O1 H2O C2346 17.764 51.641 2.952 0.00 0.00 -ATOM 7037 H1 H2O C2346 17.346 50.978 2.332 0.00 0.00 -ATOM 7038 H2 H2O C2346 18.757 51.630 2.831 0.00 0.00 -ATOM 7039 O1 H2O C2347 19.442 45.345 26.948 0.00 0.00 -ATOM 7040 H1 H2O C2347 18.680 44.697 26.943 0.00 0.00 -ATOM 7041 H2 H2O C2347 19.243 46.098 26.321 0.00 0.00 -ATOM 7042 O1 H2O C2348 2.394 13.276 6.719 0.00 0.00 -ATOM 7043 H1 H2O C2348 2.261 12.488 7.319 0.00 0.00 -ATOM 7044 H2 H2O C2348 1.972 13.095 5.831 0.00 0.00 -ATOM 7045 O1 H2O C2349 4.631 22.269 47.705 0.00 0.00 -ATOM 7046 H1 H2O C2349 5.095 21.601 47.121 0.00 0.00 -ATOM 7047 H2 H2O C2349 5.206 22.473 48.498 0.00 0.00 -ATOM 7048 O1 H2O C2350 49.337 53.932 29.161 0.00 0.00 -ATOM 7049 H1 H2O C2350 48.735 54.277 29.881 0.00 0.00 -ATOM 7050 H2 H2O C2350 49.408 52.937 29.233 0.00 0.00 -ATOM 7051 O1 H2O C2351 33.715 55.458 24.235 0.00 0.00 -ATOM 7052 H1 H2O C2351 34.441 55.561 23.554 0.00 0.00 -ATOM 7053 H2 H2O C2351 32.878 55.146 23.784 0.00 0.00 -ATOM 7054 O1 H2O C2352 13.592 3.280 53.114 0.00 0.00 -ATOM 7055 H1 H2O C2352 13.426 3.020 54.065 0.00 0.00 -ATOM 7056 H2 H2O C2352 13.048 2.697 52.510 0.00 0.00 -ATOM 7057 O1 H2O C2353 21.595 22.250 3.646 0.00 0.00 -ATOM 7058 H1 H2O C2353 21.996 21.431 4.058 0.00 0.00 -ATOM 7059 H2 H2O C2353 21.082 21.992 2.826 0.00 0.00 -ATOM 7060 O1 H2O C2354 39.407 2.952 35.129 0.00 0.00 -ATOM 7061 H1 H2O C2354 39.741 3.117 36.057 0.00 0.00 -ATOM 7062 H2 H2O C2354 38.410 2.866 35.144 0.00 0.00 -ATOM 7063 O1 H2O C2355 37.429 53.762 21.118 0.00 0.00 -ATOM 7064 H1 H2O C2355 38.294 54.165 21.417 0.00 0.00 -ATOM 7065 H2 H2O C2355 36.669 54.322 21.448 0.00 0.00 -ATOM 7066 O1 H2O C2356 34.986 52.054 36.260 0.00 0.00 -ATOM 7067 H1 H2O C2356 34.440 51.667 37.005 0.00 0.00 -ATOM 7068 H2 H2O C2356 34.388 52.561 35.638 0.00 0.00 -ATOM 7069 O1 H2O C2357 27.626 8.724 13.216 0.00 0.00 -ATOM 7070 H1 H2O C2357 28.178 8.306 12.494 0.00 0.00 -ATOM 7071 H2 H2O C2357 27.642 8.141 14.028 0.00 0.00 -ATOM 7072 O1 H2O C2358 0.571 30.273 4.316 0.00 0.00 -ATOM 7073 H1 H2O C2358 0.636 31.072 3.717 0.00 0.00 -ATOM 7074 H2 H2O C2358 0.992 30.484 5.199 0.00 0.00 -ATOM 7075 O1 H2O C2359 57.347 21.959 31.462 0.00 0.00 -ATOM 7076 H1 H2O C2359 58.319 22.192 31.437 0.00 0.00 -ATOM 7077 H2 H2O C2359 56.804 22.798 31.507 0.00 0.00 -ATOM 7078 O1 H2O C2360 12.421 36.944 55.957 0.00 0.00 -ATOM 7079 H1 H2O C2360 11.579 36.503 56.268 0.00 0.00 -ATOM 7080 H2 H2O C2360 13.165 36.277 55.954 0.00 0.00 -ATOM 7081 O1 H2O C2361 26.413 18.562 53.809 0.00 0.00 -ATOM 7082 H1 H2O C2361 27.088 18.051 53.277 0.00 0.00 -ATOM 7083 H2 H2O C2361 26.476 18.296 54.770 0.00 0.00 -ATOM 7084 O1 H2O C2362 40.552 56.454 21.137 0.00 0.00 -ATOM 7085 H1 H2O C2362 40.093 56.319 20.258 0.00 0.00 -ATOM 7086 H2 H2O C2362 41.188 57.223 21.066 0.00 0.00 -ATOM 7087 O1 H2O C2363 33.217 42.833 37.336 0.00 0.00 -ATOM 7088 H1 H2O C2363 33.717 41.968 37.374 0.00 0.00 -ATOM 7089 H2 H2O C2363 33.856 43.580 37.152 0.00 0.00 -ATOM 7090 O1 H2O C2364 21.806 0.886 55.758 0.00 0.00 -ATOM 7091 H1 H2O C2364 22.655 0.372 55.880 0.00 0.00 -ATOM 7092 H2 H2O C2364 21.286 0.494 54.999 0.00 0.00 -ATOM 7093 O1 H2O C2365 17.701 9.985 50.732 0.00 0.00 -ATOM 7094 H1 H2O C2365 17.665 9.757 49.759 0.00 0.00 -ATOM 7095 H2 H2O C2365 16.779 9.948 51.118 0.00 0.00 -ATOM 7096 O1 H2O C2366 57.533 2.170 55.562 0.00 0.00 -ATOM 7097 H1 H2O C2366 57.770 1.538 56.300 0.00 0.00 -ATOM 7098 H2 H2O C2366 58.348 2.366 55.016 0.00 0.00 -ATOM 7099 O1 H2O C2367 46.177 13.600 30.620 0.00 0.00 -ATOM 7100 H1 H2O C2367 47.165 13.755 30.603 0.00 0.00 -ATOM 7101 H2 H2O C2367 45.707 14.463 30.806 0.00 0.00 -ATOM 7102 O1 H2O C2368 23.040 55.736 40.525 0.00 0.00 -ATOM 7103 H1 H2O C2368 23.333 55.143 41.275 0.00 0.00 -ATOM 7104 H2 H2O C2368 23.712 56.465 40.395 0.00 0.00 -ATOM 7105 O1 H2O C2369 57.794 51.117 50.961 0.00 0.00 -ATOM 7106 H1 H2O C2369 58.264 51.981 51.144 0.00 0.00 -ATOM 7107 H2 H2O C2369 57.105 50.957 51.667 0.00 0.00 -ATOM 7108 O1 H2O C2370 7.209 4.576 26.380 0.00 0.00 -ATOM 7109 H1 H2O C2370 6.686 5.421 26.487 0.00 0.00 -ATOM 7110 H2 H2O C2370 6.727 3.963 25.754 0.00 0.00 -ATOM 7111 O1 H2O C2371 45.522 49.814 3.952 0.00 0.00 -ATOM 7112 H1 H2O C2371 45.348 50.016 2.988 0.00 0.00 -ATOM 7113 H2 H2O C2371 44.969 49.030 4.233 0.00 0.00 -ATOM 7114 O1 H2O C2372 13.546 6.818 19.555 0.00 0.00 -ATOM 7115 H1 H2O C2372 14.014 5.976 19.824 0.00 0.00 -ATOM 7116 H2 H2O C2372 14.035 7.606 19.929 0.00 0.00 -ATOM 7117 O1 H2O C2373 11.717 31.286 55.422 0.00 0.00 -ATOM 7118 H1 H2O C2373 12.140 31.784 54.665 0.00 0.00 -ATOM 7119 H2 H2O C2373 12.429 30.929 56.027 0.00 0.00 -ATOM 7120 O1 H2O C2374 39.098 28.779 51.500 0.00 0.00 -ATOM 7121 H1 H2O C2374 38.946 27.803 51.347 0.00 0.00 -ATOM 7122 H2 H2O C2374 38.454 29.308 50.947 0.00 0.00 -ATOM 7123 O1 H2O C2375 55.572 37.175 48.818 0.00 0.00 -ATOM 7124 H1 H2O C2375 56.061 37.974 48.468 0.00 0.00 -ATOM 7125 H2 H2O C2375 55.806 36.374 48.268 0.00 0.00 -ATOM 7126 O1 H2O C2376 23.187 43.537 1.125 0.00 0.00 -ATOM 7127 H1 H2O C2376 23.157 44.415 0.647 0.00 0.00 -ATOM 7128 H2 H2O C2376 22.304 43.368 1.564 0.00 0.00 -ATOM 7129 O1 H2O C2377 25.851 28.420 47.779 0.00 0.00 -ATOM 7130 H1 H2O C2377 24.871 28.269 47.647 0.00 0.00 -ATOM 7131 H2 H2O C2377 26.087 28.252 48.737 0.00 0.00 -ATOM 7132 O1 H2O C2378 57.733 42.677 34.402 0.00 0.00 -ATOM 7133 H1 H2O C2378 58.116 42.269 33.573 0.00 0.00 -ATOM 7134 H2 H2O C2378 56.738 42.726 34.321 0.00 0.00 -ATOM 7135 O1 H2O C2379 30.533 43.235 56.759 0.00 0.00 -ATOM 7136 H1 H2O C2379 30.113 42.364 56.502 0.00 0.00 -ATOM 7137 H2 H2O C2379 31.362 43.060 57.291 0.00 0.00 -ATOM 7138 O1 H2O C2380 17.094 57.177 5.766 0.00 0.00 -ATOM 7139 H1 H2O C2380 16.254 57.272 6.300 0.00 0.00 -ATOM 7140 H2 H2O C2380 17.323 58.055 5.347 0.00 0.00 -ATOM 7141 O1 H2O C2381 5.548 46.172 0.844 0.00 0.00 -ATOM 7142 H1 H2O C2381 6.440 46.499 0.531 0.00 0.00 -ATOM 7143 H2 H2O C2381 5.645 45.253 1.227 0.00 0.00 -ATOM 7144 O1 H2O C2382 35.014 42.882 47.339 0.00 0.00 -ATOM 7145 H1 H2O C2382 35.493 42.042 47.086 0.00 0.00 -ATOM 7146 H2 H2O C2382 34.914 43.465 46.533 0.00 0.00 -ATOM 7147 O1 H2O C2383 59.670 4.257 26.775 0.00 0.00 -ATOM 7148 H1 H2O C2383 60.605 4.593 26.660 0.00 0.00 -ATOM 7149 H2 H2O C2383 59.045 4.819 26.234 0.00 0.00 -ATOM 7150 O1 H2O C2384 26.801 10.623 40.928 0.00 0.00 -ATOM 7151 H1 H2O C2384 26.958 10.884 41.880 0.00 0.00 -ATOM 7152 H2 H2O C2384 27.380 11.177 40.330 0.00 0.00 -ATOM 7153 O1 H2O C2385 35.679 30.744 15.418 0.00 0.00 -ATOM 7154 H1 H2O C2385 36.103 31.499 15.920 0.00 0.00 -ATOM 7155 H2 H2O C2385 34.776 31.027 15.092 0.00 0.00 -ATOM 7156 O1 H2O C2386 32.522 44.745 29.161 0.00 0.00 -ATOM 7157 H1 H2O C2386 31.631 44.554 29.572 0.00 0.00 -ATOM 7158 H2 H2O C2386 32.476 44.587 28.175 0.00 0.00 -ATOM 7159 O1 H2O C2387 20.169 31.245 54.803 0.00 0.00 -ATOM 7160 H1 H2O C2387 19.453 31.930 54.663 0.00 0.00 -ATOM 7161 H2 H2O C2387 20.054 30.825 55.704 0.00 0.00 -ATOM 7162 O1 H2O C2388 36.118 13.001 5.588 0.00 0.00 -ATOM 7163 H1 H2O C2388 36.568 12.264 6.094 0.00 0.00 -ATOM 7164 H2 H2O C2388 36.474 13.028 4.653 0.00 0.00 -ATOM 7165 O1 H2O C2389 3.237 41.901 1.845 0.00 0.00 -ATOM 7166 H1 H2O C2389 3.049 42.639 1.196 0.00 0.00 -ATOM 7167 H2 H2O C2389 3.153 41.019 1.381 0.00 0.00 -ATOM 7168 O1 H2O C2390 48.090 5.685 3.919 0.00 0.00 -ATOM 7169 H1 H2O C2390 47.999 6.675 3.808 0.00 0.00 -ATOM 7170 H2 H2O C2390 48.411 5.482 4.844 0.00 0.00 -ATOM 7171 O1 H2O C2391 54.490 49.082 10.517 0.00 0.00 -ATOM 7172 H1 H2O C2391 54.132 48.321 9.976 0.00 0.00 -ATOM 7173 H2 H2O C2391 53.758 49.462 11.083 0.00 0.00 -ATOM 7174 O1 H2O C2392 46.292 31.095 2.986 0.00 0.00 -ATOM 7175 H1 H2O C2392 46.168 32.088 2.997 0.00 0.00 -ATOM 7176 H2 H2O C2392 47.138 30.871 2.502 0.00 0.00 -ATOM 7177 O1 H2O C2393 43.502 28.974 32.166 0.00 0.00 -ATOM 7178 H1 H2O C2393 43.294 28.944 31.188 0.00 0.00 -ATOM 7179 H2 H2O C2393 44.092 28.202 32.404 0.00 0.00 -ATOM 7180 O1 H2O C2394 55.637 2.763 16.692 0.00 0.00 -ATOM 7181 H1 H2O C2394 55.923 3.385 17.420 0.00 0.00 -ATOM 7182 H2 H2O C2394 56.344 2.071 16.547 0.00 0.00 -ATOM 7183 O1 H2O C2395 40.691 19.519 3.801 0.00 0.00 -ATOM 7184 H1 H2O C2395 39.933 19.194 3.235 0.00 0.00 -ATOM 7185 H2 H2O C2395 40.611 20.508 3.929 0.00 0.00 -ATOM 7186 O1 H2O C2396 10.540 31.062 27.423 0.00 0.00 -ATOM 7187 H1 H2O C2396 10.928 31.955 27.193 0.00 0.00 -ATOM 7188 H2 H2O C2396 10.005 31.139 28.265 0.00 0.00 -ATOM 7189 O1 H2O C2397 31.330 32.183 4.930 0.00 0.00 -ATOM 7190 H1 H2O C2397 30.392 31.998 4.637 0.00 0.00 -ATOM 7191 H2 H2O C2397 31.584 33.114 4.666 0.00 0.00 -ATOM 7192 O1 H2O C2398 48.420 25.311 41.265 0.00 0.00 -ATOM 7193 H1 H2O C2398 48.735 24.818 40.454 0.00 0.00 -ATOM 7194 H2 H2O C2398 47.422 25.266 41.316 0.00 0.00 -ATOM 7195 O1 H2O C2399 7.025 21.646 22.014 0.00 0.00 -ATOM 7196 H1 H2O C2399 6.479 22.366 21.588 0.00 0.00 -ATOM 7197 H2 H2O C2399 6.564 21.323 22.841 0.00 0.00 -ATOM 7198 O1 H2O C2400 52.138 0.148 7.231 0.00 0.00 -ATOM 7199 H1 H2O C2400 52.500 -0.229 6.379 0.00 0.00 -ATOM 7200 H2 H2O C2400 51.564 0.942 7.027 0.00 0.00 -ATOM 7201 O1 H2O C2401 46.853 19.606 8.322 0.00 0.00 -ATOM 7202 H1 H2O C2401 46.670 18.887 8.994 0.00 0.00 -ATOM 7203 H2 H2O C2401 47.836 19.787 8.288 0.00 0.00 -ATOM 7204 O1 H2O C2402 54.437 17.649 23.705 0.00 0.00 -ATOM 7205 H1 H2O C2402 53.986 16.871 24.142 0.00 0.00 -ATOM 7206 H2 H2O C2402 55.414 17.458 23.611 0.00 0.00 -ATOM 7207 O1 H2O C2403 13.464 11.256 35.210 0.00 0.00 -ATOM 7208 H1 H2O C2403 12.860 12.051 35.147 0.00 0.00 -ATOM 7209 H2 H2O C2403 13.804 11.024 34.298 0.00 0.00 -ATOM 7210 O1 H2O C2404 51.556 4.217 8.744 0.00 0.00 -ATOM 7211 H1 H2O C2404 52.425 4.474 8.320 0.00 0.00 -ATOM 7212 H2 H2O C2404 50.800 4.496 8.150 0.00 0.00 -ATOM 7213 O1 H2O C2405 20.589 18.303 54.292 0.00 0.00 -ATOM 7214 H1 H2O C2405 19.936 18.029 54.998 0.00 0.00 -ATOM 7215 H2 H2O C2405 20.700 17.558 53.634 0.00 0.00 -ATOM 7216 O1 H2O C2406 28.521 24.385 52.978 0.00 0.00 -ATOM 7217 H1 H2O C2406 28.611 24.849 53.860 0.00 0.00 -ATOM 7218 H2 H2O C2406 29.384 23.936 52.748 0.00 0.00 -ATOM 7219 O1 H2O C2407 49.364 4.018 49.854 0.00 0.00 -ATOM 7220 H1 H2O C2407 49.350 4.973 49.557 0.00 0.00 -ATOM 7221 H2 H2O C2407 48.437 3.729 50.092 0.00 0.00 -ATOM 7222 O1 H2O C2408 19.225 54.843 10.393 0.00 0.00 -ATOM 7223 H1 H2O C2408 18.634 54.895 9.588 0.00 0.00 -ATOM 7224 H2 H2O C2408 19.863 54.080 10.289 0.00 0.00 -ATOM 7225 O1 H2O C2409 55.191 15.206 29.720 0.00 0.00 -ATOM 7226 H1 H2O C2409 54.699 14.501 30.231 0.00 0.00 -ATOM 7227 H2 H2O C2409 55.108 16.081 30.196 0.00 0.00 -ATOM 7228 O1 H2O C2410 23.618 55.917 45.065 0.00 0.00 -ATOM 7229 H1 H2O C2410 22.795 55.447 45.384 0.00 0.00 -ATOM 7230 H2 H2O C2410 23.411 56.883 44.910 0.00 0.00 -ATOM 7231 O1 H2O C2411 56.967 47.128 38.531 0.00 0.00 -ATOM 7232 H1 H2O C2411 56.462 46.711 39.287 0.00 0.00 -ATOM 7233 H2 H2O C2411 57.144 46.439 37.828 0.00 0.00 -ATOM 7234 O1 H2O C2412 48.541 27.592 56.593 0.00 0.00 -ATOM 7235 H1 H2O C2412 48.730 26.962 57.346 0.00 0.00 -ATOM 7236 H2 H2O C2412 47.609 27.447 56.262 0.00 0.00 -ATOM 7237 O1 H2O C2413 54.319 38.966 4.844 0.00 0.00 -ATOM 7238 H1 H2O C2413 53.407 38.695 4.535 0.00 0.00 -ATOM 7239 H2 H2O C2413 55.002 38.358 4.440 0.00 0.00 -ATOM 7240 O1 H2O C2414 20.268 34.069 43.069 0.00 0.00 -ATOM 7241 H1 H2O C2414 19.956 33.118 43.081 0.00 0.00 -ATOM 7242 H2 H2O C2414 20.126 34.453 42.156 0.00 0.00 -ATOM 7243 O1 H2O C2415 50.762 47.411 32.008 0.00 0.00 -ATOM 7244 H1 H2O C2415 50.331 48.311 32.075 0.00 0.00 -ATOM 7245 H2 H2O C2415 51.672 47.444 32.421 0.00 0.00 -ATOM 7246 O1 H2O C2416 12.976 14.689 3.756 0.00 0.00 -ATOM 7247 H1 H2O C2416 13.582 15.483 3.827 0.00 0.00 -ATOM 7248 H2 H2O C2416 12.957 14.369 2.809 0.00 0.00 -ATOM 7249 O1 H2O C2417 4.153 16.056 2.980 0.00 0.00 -ATOM 7250 H1 H2O C2417 3.651 16.036 3.845 0.00 0.00 -ATOM 7251 H2 H2O C2417 5.099 16.333 3.150 0.00 0.00 -ATOM 7252 O1 H2O C2418 10.613 31.164 28.000 0.00 0.00 -ATOM 7253 H1 H2O C2418 10.432 30.493 28.719 0.00 0.00 -ATOM 7254 H2 H2O C2418 10.788 30.690 27.137 0.00 0.00 -ATOM 7255 O1 H2O C2419 39.469 1.897 19.555 0.00 0.00 -ATOM 7256 H1 H2O C2419 39.021 1.610 18.708 0.00 0.00 -ATOM 7257 H2 H2O C2419 39.766 1.090 20.065 0.00 0.00 -ATOM 7258 O1 H2O C2420 51.746 24.489 38.322 0.00 0.00 -ATOM 7259 H1 H2O C2420 52.653 24.384 37.912 0.00 0.00 -ATOM 7260 H2 H2O C2420 51.726 24.027 39.209 0.00 0.00 -ATOM 7261 O1 H2O C2421 50.085 5.445 18.108 0.00 0.00 -ATOM 7262 H1 H2O C2421 50.713 5.787 17.409 0.00 0.00 -ATOM 7263 H2 H2O C2421 50.590 5.273 18.954 0.00 0.00 -ATOM 7264 O1 H2O C2422 4.620 32.398 19.157 0.00 0.00 -ATOM 7265 H1 H2O C2422 3.673 32.700 19.039 0.00 0.00 -ATOM 7266 H2 H2O C2422 5.139 33.110 19.630 0.00 0.00 -ATOM 7267 O1 H2O C2423 41.514 43.495 54.195 0.00 0.00 -ATOM 7268 H1 H2O C2423 41.533 42.516 53.991 0.00 0.00 -ATOM 7269 H2 H2O C2423 41.077 43.984 53.441 0.00 0.00 -ATOM 7270 O1 H2O C2424 3.456 0.261 57.797 0.00 0.00 -ATOM 7271 H1 H2O C2424 2.773 -0.398 58.112 0.00 0.00 -ATOM 7272 H2 H2O C2424 4.294 0.153 58.330 0.00 0.00 -ATOM 7273 O1 H2O C2425 53.854 16.700 25.773 0.00 0.00 -ATOM 7274 H1 H2O C2425 54.720 17.155 25.562 0.00 0.00 -ATOM 7275 H2 H2O C2425 53.112 17.371 25.752 0.00 0.00 -ATOM 7276 O1 H2O C2426 45.361 38.209 15.607 0.00 0.00 -ATOM 7277 H1 H2O C2426 44.862 37.346 15.520 0.00 0.00 -ATOM 7278 H2 H2O C2426 46.307 38.021 15.874 0.00 0.00 -ATOM 7279 O1 H2O C2427 57.835 26.737 13.012 0.00 0.00 -ATOM 7280 H1 H2O C2427 57.632 26.229 12.175 0.00 0.00 -ATOM 7281 H2 H2O C2427 58.734 26.467 13.357 0.00 0.00 -ATOM 7282 O1 H2O C2428 51.318 33.588 46.193 0.00 0.00 -ATOM 7283 H1 H2O C2428 50.446 33.107 46.103 0.00 0.00 -ATOM 7284 H2 H2O C2428 51.611 33.916 45.294 0.00 0.00 -ATOM 7285 O1 H2O C2429 47.278 49.121 11.323 0.00 0.00 -ATOM 7286 H1 H2O C2429 47.692 48.456 10.702 0.00 0.00 -ATOM 7287 H2 H2O C2429 47.964 49.797 11.594 0.00 0.00 -ATOM 7288 O1 H2O C2430 56.600 16.003 42.129 0.00 0.00 -ATOM 7289 H1 H2O C2430 55.965 15.999 42.901 0.00 0.00 -ATOM 7290 H2 H2O C2430 57.101 16.868 42.114 0.00 0.00 -ATOM 7291 O1 H2O C2431 21.346 26.777 39.261 0.00 0.00 -ATOM 7292 H1 H2O C2431 21.187 25.949 38.724 0.00 0.00 -ATOM 7293 H2 H2O C2431 22.325 26.871 39.446 0.00 0.00 -ATOM 7294 O1 H2O C2432 55.476 52.776 40.036 0.00 0.00 -ATOM 7295 H1 H2O C2432 54.861 52.716 40.822 0.00 0.00 -ATOM 7296 H2 H2O C2432 56.334 53.205 40.316 0.00 0.00 -ATOM 7297 O1 H2O C2433 29.501 12.797 53.888 0.00 0.00 -ATOM 7298 H1 H2O C2433 29.878 12.150 53.224 0.00 0.00 -ATOM 7299 H2 H2O C2433 28.676 12.408 54.299 0.00 0.00 -ATOM 7300 O1 H2O C2434 4.996 32.836 5.785 0.00 0.00 -ATOM 7301 H1 H2O C2434 5.950 32.806 5.485 0.00 0.00 -ATOM 7302 H2 H2O C2434 4.524 32.010 5.476 0.00 0.00 -ATOM 7303 O1 H2O C2435 47.517 58.046 8.983 0.00 0.00 -ATOM 7304 H1 H2O C2435 48.043 57.883 8.149 0.00 0.00 -ATOM 7305 H2 H2O C2435 47.882 58.849 9.456 0.00 0.00 -ATOM 7306 O1 H2O C2436 43.486 14.791 43.635 0.00 0.00 -ATOM 7307 H1 H2O C2436 43.746 15.167 42.745 0.00 0.00 -ATOM 7308 H2 H2O C2436 42.593 15.155 43.901 0.00 0.00 -ATOM 7309 O1 H2O C2437 1.921 11.785 13.891 0.00 0.00 -ATOM 7310 H1 H2O C2437 1.076 11.276 14.058 0.00 0.00 -ATOM 7311 H2 H2O C2437 2.512 11.258 13.281 0.00 0.00 -ATOM 7312 O1 H2O C2438 56.222 40.526 44.797 0.00 0.00 -ATOM 7313 H1 H2O C2438 56.841 41.053 44.214 0.00 0.00 -ATOM 7314 H2 H2O C2438 55.592 41.148 45.261 0.00 0.00 -ATOM 7315 O1 H2O C2439 52.711 39.814 52.690 0.00 0.00 -ATOM 7316 H1 H2O C2439 52.754 40.614 52.092 0.00 0.00 -ATOM 7317 H2 H2O C2439 52.217 40.049 53.527 0.00 0.00 -ATOM 7318 O1 H2O C2440 29.937 17.683 21.633 0.00 0.00 -ATOM 7319 H1 H2O C2440 30.153 18.485 22.189 0.00 0.00 -ATOM 7320 H2 H2O C2440 28.945 17.569 21.583 0.00 0.00 -ATOM 7321 O1 H2O C2441 7.028 59.480 9.116 0.00 0.00 -ATOM 7322 H1 H2O C2441 7.324 58.630 9.551 0.00 0.00 -ATOM 7323 H2 H2O C2441 7.533 59.612 8.263 0.00 0.00 -ATOM 7324 O1 H2O C2442 7.850 27.927 42.782 0.00 0.00 -ATOM 7325 H1 H2O C2442 7.097 28.504 42.469 0.00 0.00 -ATOM 7326 H2 H2O C2442 8.721 28.363 42.557 0.00 0.00 -ATOM 7327 O1 H2O C2443 57.976 12.015 11.105 0.00 0.00 -ATOM 7328 H1 H2O C2443 57.861 12.409 10.193 0.00 0.00 -ATOM 7329 H2 H2O C2443 57.721 12.693 11.795 0.00 0.00 -ATOM 7330 O1 H2O C2444 45.588 41.534 25.311 0.00 0.00 -ATOM 7331 H1 H2O C2444 46.397 42.021 24.982 0.00 0.00 -ATOM 7332 H2 H2O C2444 45.302 40.864 24.625 0.00 0.00 -ATOM 7333 O1 H2O C2445 2.490 11.286 20.226 0.00 0.00 -ATOM 7334 H1 H2O C2445 2.670 10.318 20.050 0.00 0.00 -ATOM 7335 H2 H2O C2445 3.279 11.829 19.941 0.00 0.00 -ATOM 7336 O1 H2O C2446 9.665 26.015 52.371 0.00 0.00 -ATOM 7337 H1 H2O C2446 9.117 26.286 53.163 0.00 0.00 -ATOM 7338 H2 H2O C2446 9.098 25.486 51.740 0.00 0.00 -ATOM 7339 O1 H2O C2447 52.996 8.156 18.349 0.00 0.00 -ATOM 7340 H1 H2O C2447 52.173 8.721 18.406 0.00 0.00 -ATOM 7341 H2 H2O C2447 53.095 7.625 19.191 0.00 0.00 -ATOM 7342 O1 H2O C2448 56.199 37.298 56.370 0.00 0.00 -ATOM 7343 H1 H2O C2448 55.234 37.539 56.273 0.00 0.00 -ATOM 7344 H2 H2O C2448 56.397 36.485 55.823 0.00 0.00 -ATOM 7345 O1 H2O C2449 -0.029 21.785 30.925 0.00 0.00 -ATOM 7346 H1 H2O C2449 -0.664 21.451 31.621 0.00 0.00 -ATOM 7347 H2 H2O C2449 0.733 22.257 31.368 0.00 0.00 -ATOM 7348 O1 H2O C2450 40.263 36.535 37.017 0.00 0.00 -ATOM 7349 H1 H2O C2450 41.137 36.324 37.455 0.00 0.00 -ATOM 7350 H2 H2O C2450 39.640 36.932 37.691 0.00 0.00 -ATOM 7351 O1 H2O C2451 30.751 38.026 47.407 0.00 0.00 -ATOM 7352 H1 H2O C2451 30.914 38.885 46.922 0.00 0.00 -ATOM 7353 H2 H2O C2451 30.046 38.164 48.103 0.00 0.00 -ATOM 7354 O1 H2O C2452 14.605 55.296 40.046 0.00 0.00 -ATOM 7355 H1 H2O C2452 14.484 54.588 40.741 0.00 0.00 -ATOM 7356 H2 H2O C2452 15.507 55.201 39.626 0.00 0.00 -ATOM 7357 O1 H2O C2453 26.253 34.107 3.033 0.00 0.00 -ATOM 7358 H1 H2O C2453 25.576 34.044 2.300 0.00 0.00 -ATOM 7359 H2 H2O C2453 27.046 33.542 2.804 0.00 0.00 -ATOM 7360 O1 H2O C2454 16.512 36.063 33.097 0.00 0.00 -ATOM 7361 H1 H2O C2454 17.021 36.728 33.644 0.00 0.00 -ATOM 7362 H2 H2O C2454 16.302 36.459 32.203 0.00 0.00 -ATOM 7363 O1 H2O C2455 15.657 49.255 16.703 0.00 0.00 -ATOM 7364 H1 H2O C2455 16.581 49.356 16.333 0.00 0.00 -ATOM 7365 H2 H2O C2455 15.040 48.947 15.979 0.00 0.00 -ATOM 7366 O1 H2O C2456 31.507 13.819 25.921 0.00 0.00 -ATOM 7367 H1 H2O C2456 30.849 14.332 26.472 0.00 0.00 -ATOM 7368 H2 H2O C2456 31.080 13.548 25.058 0.00 0.00 -ATOM 7369 O1 H2O C2457 21.210 16.153 26.843 0.00 0.00 -ATOM 7370 H1 H2O C2457 21.247 15.979 27.827 0.00 0.00 -ATOM 7371 H2 H2O C2457 22.104 15.964 26.437 0.00 0.00 -ATOM 7372 O1 H2O C2458 45.173 9.533 28.866 0.00 0.00 -ATOM 7373 H1 H2O C2458 45.394 8.565 28.745 0.00 0.00 -ATOM 7374 H2 H2O C2458 45.962 10.090 28.606 0.00 0.00 -ATOM 7375 O1 H2O C2459 54.625 12.623 56.169 0.00 0.00 -ATOM 7376 H1 H2O C2459 53.890 13.279 55.994 0.00 0.00 -ATOM 7377 H2 H2O C2459 54.819 12.596 57.150 0.00 0.00 -ATOM 7378 O1 H2O C2460 22.871 5.961 8.208 0.00 0.00 -ATOM 7379 H1 H2O C2460 23.243 5.152 8.663 0.00 0.00 -ATOM 7380 H2 H2O C2460 23.304 6.069 7.313 0.00 0.00 -ATOM 7381 O1 H2O C2461 20.629 34.191 27.764 0.00 0.00 -ATOM 7382 H1 H2O C2461 20.423 33.737 26.897 0.00 0.00 -ATOM 7383 H2 H2O C2461 21.007 35.098 27.583 0.00 0.00 -ATOM 7384 O1 H2O C2462 53.587 29.313 44.900 0.00 0.00 -ATOM 7385 H1 H2O C2462 54.527 29.423 45.223 0.00 0.00 -ATOM 7386 H2 H2O C2462 53.439 28.365 44.618 0.00 0.00 -ATOM 7387 O1 H2O C2463 33.867 29.771 9.318 0.00 0.00 -ATOM 7388 H1 H2O C2463 33.233 29.818 10.090 0.00 0.00 -ATOM 7389 H2 H2O C2463 34.185 28.829 9.205 0.00 0.00 -ATOM 7390 O1 H2O C2464 4.765 18.682 27.392 0.00 0.00 -ATOM 7391 H1 H2O C2464 4.507 18.287 28.274 0.00 0.00 -ATOM 7392 H2 H2O C2464 3.964 18.715 26.794 0.00 0.00 -ATOM 7393 O1 H2O C2465 32.286 9.815 17.557 0.00 0.00 -ATOM 7394 H1 H2O C2465 32.143 8.841 17.731 0.00 0.00 -ATOM 7395 H2 H2O C2465 31.986 10.035 16.628 0.00 0.00 -ATOM 7396 O1 H2O C2466 46.731 15.277 29.557 0.00 0.00 -ATOM 7397 H1 H2O C2466 47.383 15.824 30.083 0.00 0.00 -ATOM 7398 H2 H2O C2466 47.230 14.663 28.944 0.00 0.00 -ATOM 7399 O1 H2O C2467 39.222 1.997 48.759 0.00 0.00 -ATOM 7400 H1 H2O C2467 39.302 2.729 49.436 0.00 0.00 -ATOM 7401 H2 H2O C2467 39.113 2.396 47.849 0.00 0.00 -ATOM 7402 O1 H2O C2468 50.877 2.347 41.480 0.00 0.00 -ATOM 7403 H1 H2O C2468 50.169 1.737 41.835 0.00 0.00 -ATOM 7404 H2 H2O C2468 50.545 2.796 40.650 0.00 0.00 -ATOM 7405 O1 H2O C2469 21.202 30.839 21.363 0.00 0.00 -ATOM 7406 H1 H2O C2469 20.429 31.398 21.665 0.00 0.00 -ATOM 7407 H2 H2O C2469 20.861 29.984 20.971 0.00 0.00 -ATOM 7408 O1 H2O C2470 27.823 38.586 31.474 0.00 0.00 -ATOM 7409 H1 H2O C2470 27.541 39.526 31.281 0.00 0.00 -ATOM 7410 H2 H2O C2470 28.289 38.553 32.358 0.00 0.00 -ATOM 7411 O1 H2O C2471 2.177 34.356 27.744 0.00 0.00 -ATOM 7412 H1 H2O C2471 2.520 35.261 27.488 0.00 0.00 -ATOM 7413 H2 H2O C2471 2.099 33.787 26.925 0.00 0.00 -ATOM 7414 O1 H2O C2472 38.204 22.162 16.500 0.00 0.00 -ATOM 7415 H1 H2O C2472 37.940 22.822 17.204 0.00 0.00 -ATOM 7416 H2 H2O C2472 37.391 21.870 15.996 0.00 0.00 -ATOM 7417 O1 H2O C2473 20.279 27.940 7.724 0.00 0.00 -ATOM 7418 H1 H2O C2473 19.987 28.754 7.222 0.00 0.00 -ATOM 7419 H2 H2O C2473 19.495 27.541 8.199 0.00 0.00 -ATOM 7420 O1 H2O C2474 24.728 53.224 51.960 0.00 0.00 -ATOM 7421 H1 H2O C2474 24.904 53.991 51.342 0.00 0.00 -ATOM 7422 H2 H2O C2474 23.866 53.380 52.445 0.00 0.00 -ATOM 7423 O1 H2O C2475 15.439 21.558 21.235 0.00 0.00 -ATOM 7424 H1 H2O C2475 15.141 22.312 21.820 0.00 0.00 -ATOM 7425 H2 H2O C2475 16.018 20.936 21.763 0.00 0.00 -ATOM 7426 O1 H2O C2476 36.045 3.318 10.210 0.00 0.00 -ATOM 7427 H1 H2O C2476 36.903 3.701 10.553 0.00 0.00 -ATOM 7428 H2 H2O C2476 35.378 3.276 10.955 0.00 0.00 -ATOM 7429 O1 H2O C2477 38.980 21.117 34.949 0.00 0.00 -ATOM 7430 H1 H2O C2477 39.837 20.801 34.542 0.00 0.00 -ATOM 7431 H2 H2O C2477 38.705 21.977 34.520 0.00 0.00 -ATOM 7432 O1 H2O C2478 21.480 56.171 15.464 0.00 0.00 -ATOM 7433 H1 H2O C2478 22.354 55.953 15.030 0.00 0.00 -ATOM 7434 H2 H2O C2478 21.643 56.722 16.283 0.00 0.00 -ATOM 7435 O1 H2O C2479 37.164 45.825 11.625 0.00 0.00 -ATOM 7436 H1 H2O C2479 37.762 46.527 11.236 0.00 0.00 -ATOM 7437 H2 H2O C2479 36.503 46.256 12.240 0.00 0.00 -ATOM 7438 O1 H2O C2480 3.996 19.214 8.068 0.00 0.00 -ATOM 7439 H1 H2O C2480 3.187 18.726 7.742 0.00 0.00 -ATOM 7440 H2 H2O C2480 4.466 19.636 7.293 0.00 0.00 -ATOM 7441 O1 H2O C2481 1.379 54.284 41.480 0.00 0.00 -ATOM 7442 H1 H2O C2481 0.515 54.699 41.766 0.00 0.00 -ATOM 7443 H2 H2O C2481 1.193 53.502 40.886 0.00 0.00 -ATOM 7444 O1 H2O C2482 38.724 23.378 32.433 0.00 0.00 -ATOM 7445 H1 H2O C2482 39.071 22.733 31.752 0.00 0.00 -ATOM 7446 H2 H2O C2482 37.740 23.502 32.304 0.00 0.00 -ATOM 7447 O1 H2O C2483 4.095 11.596 26.709 0.00 0.00 -ATOM 7448 H1 H2O C2483 5.020 11.224 26.629 0.00 0.00 -ATOM 7449 H2 H2O C2483 3.963 11.964 27.629 0.00 0.00 -ATOM 7450 O1 H2O C2484 21.533 27.773 42.733 0.00 0.00 -ATOM 7451 H1 H2O C2484 21.376 27.247 43.570 0.00 0.00 -ATOM 7452 H2 H2O C2484 22.500 27.719 42.482 0.00 0.00 -ATOM 7453 O1 H2O C2485 34.820 15.201 39.724 0.00 0.00 -ATOM 7454 H1 H2O C2485 35.599 14.589 39.862 0.00 0.00 -ATOM 7455 H2 H2O C2485 33.972 14.715 39.933 0.00 0.00 -ATOM 7456 O1 H2O C2486 10.191 48.931 1.459 0.00 0.00 -ATOM 7457 H1 H2O C2486 10.829 48.208 1.723 0.00 0.00 -ATOM 7458 H2 H2O C2486 10.670 49.613 0.907 0.00 0.00 -ATOM 7459 O1 H2O C2487 10.909 1.058 27.412 0.00 0.00 -ATOM 7460 H1 H2O C2487 11.830 0.876 27.757 0.00 0.00 -ATOM 7461 H2 H2O C2487 10.278 0.370 27.771 0.00 0.00 -ATOM 7462 O1 H2O C2488 32.759 39.489 32.594 0.00 0.00 -ATOM 7463 H1 H2O C2488 32.096 40.237 32.577 0.00 0.00 -ATOM 7464 H2 H2O C2488 32.792 39.094 33.512 0.00 0.00 -ATOM 7465 O1 H2O C2489 13.456 35.146 41.655 0.00 0.00 -ATOM 7466 H1 H2O C2489 13.107 34.697 42.478 0.00 0.00 -ATOM 7467 H2 H2O C2489 13.134 36.092 41.630 0.00 0.00 -ATOM 7468 O1 H2O C2490 14.332 8.272 59.562 0.00 0.00 -ATOM 7469 H1 H2O C2490 14.813 7.629 60.157 0.00 0.00 -ATOM 7470 H2 H2O C2490 13.433 8.477 59.949 0.00 0.00 -ATOM 7471 O1 H2O C2491 53.076 58.261 52.561 0.00 0.00 -ATOM 7472 H1 H2O C2491 53.848 58.896 52.563 0.00 0.00 -ATOM 7473 H2 H2O C2491 53.406 57.334 52.740 0.00 0.00 -ATOM 7474 O1 H2O C2492 25.259 58.465 55.731 0.00 0.00 -ATOM 7475 H1 H2O C2492 25.061 58.885 56.616 0.00 0.00 -ATOM 7476 H2 H2O C2492 26.223 58.203 55.694 0.00 0.00 -ATOM 7477 O1 H2O C2493 33.705 19.514 10.888 0.00 0.00 -ATOM 7478 H1 H2O C2493 33.162 20.327 11.098 0.00 0.00 -ATOM 7479 H2 H2O C2493 34.570 19.552 11.389 0.00 0.00 -ATOM 7480 O1 H2O C2494 51.298 35.889 54.073 0.00 0.00 -ATOM 7481 H1 H2O C2494 51.232 36.825 54.421 0.00 0.00 -ATOM 7482 H2 H2O C2494 51.613 35.909 53.124 0.00 0.00 -ATOM 7483 O1 H2O C2495 54.522 39.445 13.176 0.00 0.00 -ATOM 7484 H1 H2O C2495 55.135 38.824 12.688 0.00 0.00 -ATOM 7485 H2 H2O C2495 53.622 39.437 12.738 0.00 0.00 -ATOM 7486 O1 H2O C2496 28.085 41.931 32.409 0.00 0.00 -ATOM 7487 H1 H2O C2496 28.062 40.932 32.435 0.00 0.00 -ATOM 7488 H2 H2O C2496 27.264 42.295 32.849 0.00 0.00 -ATOM 7489 O1 H2O C2497 54.646 37.111 0.675 0.00 0.00 -ATOM 7490 H1 H2O C2497 54.460 37.977 0.209 0.00 0.00 -ATOM 7491 H2 H2O C2497 54.834 36.402 -0.006 0.00 0.00 -ATOM 7492 O1 H2O C2498 28.525 25.564 5.610 0.00 0.00 -ATOM 7493 H1 H2O C2498 28.555 26.148 6.421 0.00 0.00 -ATOM 7494 H2 H2O C2498 28.728 24.620 5.872 0.00 0.00 -ATOM 7495 O1 H2O C2499 38.699 37.206 48.132 0.00 0.00 -ATOM 7496 H1 H2O C2499 38.360 37.558 47.259 0.00 0.00 -ATOM 7497 H2 H2O C2499 38.029 37.396 48.850 0.00 0.00 -ATOM 7498 O1 H2O C2500 13.270 2.412 28.393 0.00 0.00 -ATOM 7499 H1 H2O C2500 12.632 1.723 28.738 0.00 0.00 -ATOM 7500 H2 H2O C2500 12.910 2.804 27.546 0.00 0.00 -ATOM 7501 O1 H2O C2501 49.584 58.590 54.890 0.00 0.00 -ATOM 7502 H1 H2O C2501 50.354 58.447 54.269 0.00 0.00 -ATOM 7503 H2 H2O C2501 49.793 58.183 55.779 0.00 0.00 -ATOM 7504 O1 H2O C2502 34.903 53.049 58.053 0.00 0.00 -ATOM 7505 H1 H2O C2502 34.098 52.672 58.512 0.00 0.00 -ATOM 7506 H2 H2O C2502 35.535 52.307 57.827 0.00 0.00 -ATOM 7507 O1 H2O C2503 53.594 27.448 0.726 0.00 0.00 -ATOM 7508 H1 H2O C2503 54.175 27.806 -0.006 0.00 0.00 -ATOM 7509 H2 H2O C2503 52.753 27.076 0.330 0.00 0.00 -ATOM 7510 O1 H2O C2504 8.868 58.916 55.161 0.00 0.00 -ATOM 7511 H1 H2O C2504 9.103 58.103 55.695 0.00 0.00 -ATOM 7512 H2 H2O C2504 9.262 58.838 54.245 0.00 0.00 -ATOM 7513 O1 H2O C2505 43.374 56.744 47.614 0.00 0.00 -ATOM 7514 H1 H2O C2505 44.043 57.470 47.455 0.00 0.00 -ATOM 7515 H2 H2O C2505 43.044 56.397 46.736 0.00 0.00 -ATOM 7516 O1 H2O C2506 46.153 31.783 41.718 0.00 0.00 -ATOM 7517 H1 H2O C2506 46.908 32.074 42.305 0.00 0.00 -ATOM 7518 H2 H2O C2506 46.117 30.784 41.691 0.00 0.00 -ATOM 7519 O1 H2O C2507 23.607 33.184 29.625 0.00 0.00 -ATOM 7520 H1 H2O C2507 23.610 32.671 28.767 0.00 0.00 -ATOM 7521 H2 H2O C2507 22.987 32.742 30.275 0.00 0.00 -ATOM 7522 O1 H2O C2508 14.971 51.593 13.027 0.00 0.00 -ATOM 7523 H1 H2O C2508 15.266 50.969 13.751 0.00 0.00 -ATOM 7524 H2 H2O C2508 14.338 52.268 13.406 0.00 0.00 -ATOM 7525 O1 H2O C2509 0.375 39.133 43.587 0.00 0.00 -ATOM 7526 H1 H2O C2509 1.329 38.971 43.837 0.00 0.00 -ATOM 7527 H2 H2O C2509 -0.115 39.516 44.371 0.00 0.00 -ATOM 7528 O1 H2O C2510 49.635 50.772 48.111 0.00 0.00 -ATOM 7529 H1 H2O C2510 49.707 51.617 48.640 0.00 0.00 -ATOM 7530 H2 H2O C2510 50.533 50.337 48.052 0.00 0.00 -ATOM 7531 O1 H2O C2511 20.421 55.210 49.820 0.00 0.00 -ATOM 7532 H1 H2O C2511 19.857 56.012 50.016 0.00 0.00 -ATOM 7533 H2 H2O C2511 20.335 54.551 50.567 0.00 0.00 -ATOM 7534 O1 H2O C2512 52.458 14.781 35.436 0.00 0.00 -ATOM 7535 H1 H2O C2512 51.578 14.561 35.013 0.00 0.00 -ATOM 7536 H2 H2O C2512 53.198 14.401 34.880 0.00 0.00 -ATOM 7537 O1 H2O C2513 41.002 36.287 48.725 0.00 0.00 -ATOM 7538 H1 H2O C2513 40.997 37.208 48.334 0.00 0.00 -ATOM 7539 H2 H2O C2513 41.531 36.289 49.575 0.00 0.00 -ATOM 7540 O1 H2O C2514 25.786 54.106 43.779 0.00 0.00 -ATOM 7541 H1 H2O C2514 25.347 54.147 42.881 0.00 0.00 -ATOM 7542 H2 H2O C2514 26.260 54.968 43.957 0.00 0.00 -ATOM 7543 O1 H2O C2515 26.913 41.348 38.721 0.00 0.00 -ATOM 7544 H1 H2O C2515 26.330 41.574 39.501 0.00 0.00 -ATOM 7545 H2 H2O C2515 26.430 41.557 37.871 0.00 0.00 -ATOM 7546 O1 H2O C2516 34.475 53.037 15.287 0.00 0.00 -ATOM 7547 H1 H2O C2516 34.047 53.940 15.256 0.00 0.00 -ATOM 7548 H2 H2O C2516 35.119 53.000 16.051 0.00 0.00 -ATOM 7549 O1 H2O C2517 22.375 40.537 55.188 0.00 0.00 -ATOM 7550 H1 H2O C2517 23.061 40.678 54.473 0.00 0.00 -ATOM 7551 H2 H2O C2517 21.971 39.627 55.085 0.00 0.00 -ATOM 7552 O1 H2O C2518 20.506 25.915 19.285 0.00 0.00 -ATOM 7553 H1 H2O C2518 20.966 26.348 18.510 0.00 0.00 -ATOM 7554 H2 H2O C2518 19.686 25.442 18.964 0.00 0.00 -ATOM 7555 O1 H2O C2519 2.646 24.143 8.530 0.00 0.00 -ATOM 7556 H1 H2O C2519 3.382 23.474 8.423 0.00 0.00 -ATOM 7557 H2 H2O C2519 2.416 24.233 9.499 0.00 0.00 -ATOM 7558 O1 H2O C2520 2.657 49.431 8.141 0.00 0.00 -ATOM 7559 H1 H2O C2520 3.583 49.809 8.160 0.00 0.00 -ATOM 7560 H2 H2O C2520 2.232 49.549 9.040 0.00 0.00 -ATOM 7561 O1 H2O C2521 27.712 32.781 18.429 0.00 0.00 -ATOM 7562 H1 H2O C2521 27.448 31.827 18.571 0.00 0.00 -ATOM 7563 H2 H2O C2521 27.256 33.135 17.612 0.00 0.00 -ATOM 7564 O1 H2O C2522 16.940 56.003 34.669 0.00 0.00 -ATOM 7565 H1 H2O C2522 17.645 55.330 34.895 0.00 0.00 -ATOM 7566 H2 H2O C2522 16.390 56.196 35.481 0.00 0.00 -ATOM 7567 O1 H2O C2523 38.448 51.508 53.261 0.00 0.00 -ATOM 7568 H1 H2O C2523 38.384 51.507 52.263 0.00 0.00 -ATOM 7569 H2 H2O C2523 37.902 50.756 53.630 0.00 0.00 -ATOM 7570 O1 H2O C2524 1.606 5.024 45.672 0.00 0.00 -ATOM 7571 H1 H2O C2524 2.220 5.234 44.910 0.00 0.00 -ATOM 7572 H2 H2O C2524 2.147 4.812 46.487 0.00 0.00 -ATOM 7573 O1 H2O C2525 37.778 8.311 9.450 0.00 0.00 -ATOM 7574 H1 H2O C2525 38.151 8.447 10.367 0.00 0.00 -ATOM 7575 H2 H2O C2525 37.769 7.334 9.235 0.00 0.00 -ATOM 7576 O1 H2O C2526 19.647 59.783 38.453 0.00 0.00 -ATOM 7577 H1 H2O C2526 19.127 58.936 38.562 0.00 0.00 -ATOM 7578 H2 H2O C2526 19.073 60.472 38.011 0.00 0.00 -ATOM 7579 O1 H2O C2527 57.224 44.253 50.135 0.00 0.00 -ATOM 7580 H1 H2O C2527 56.265 44.307 50.413 0.00 0.00 -ATOM 7581 H2 H2O C2527 57.677 45.124 50.327 0.00 0.00 -ATOM 7582 O1 H2O C2528 22.853 34.335 48.675 0.00 0.00 -ATOM 7583 H1 H2O C2528 22.515 35.223 48.984 0.00 0.00 -ATOM 7584 H2 H2O C2528 23.774 34.441 48.299 0.00 0.00 -ATOM 7585 O1 H2O C2529 11.186 10.973 42.049 0.00 0.00 -ATOM 7586 H1 H2O C2529 10.566 10.893 42.829 0.00 0.00 -ATOM 7587 H2 H2O C2529 12.121 10.775 42.345 0.00 0.00 -ATOM 7588 O1 H2O C2530 35.810 26.218 4.127 0.00 0.00 -ATOM 7589 H1 H2O C2530 35.081 26.902 4.173 0.00 0.00 -ATOM 7590 H2 H2O C2530 36.012 26.012 3.169 0.00 0.00 -ATOM 7591 O1 H2O C2531 12.517 17.686 3.580 0.00 0.00 -ATOM 7592 H1 H2O C2531 11.718 18.138 3.181 0.00 0.00 -ATOM 7593 H2 H2O C2531 13.176 18.377 3.877 0.00 0.00 -ATOM 7594 O1 H2O C2532 49.254 9.421 44.132 0.00 0.00 -ATOM 7595 H1 H2O C2532 49.836 9.661 44.909 0.00 0.00 -ATOM 7596 H2 H2O C2532 49.827 9.222 43.336 0.00 0.00 -ATOM 7597 O1 H2O C2533 25.653 20.679 4.685 0.00 0.00 -ATOM 7598 H1 H2O C2533 26.549 20.239 4.614 0.00 0.00 -ATOM 7599 H2 H2O C2533 25.312 20.887 3.768 0.00 0.00 -ATOM 7600 O1 H2O C2534 14.101 42.232 34.825 0.00 0.00 -ATOM 7601 H1 H2O C2534 13.884 41.314 34.492 0.00 0.00 -ATOM 7602 H2 H2O C2534 13.992 42.891 34.081 0.00 0.00 -ATOM 7603 O1 H2O C2535 18.246 5.860 40.704 0.00 0.00 -ATOM 7604 H1 H2O C2535 18.999 5.209 40.805 0.00 0.00 -ATOM 7605 H2 H2O C2535 17.823 6.021 41.596 0.00 0.00 -ATOM 7606 O1 H2O C2536 33.693 13.919 17.405 0.00 0.00 -ATOM 7607 H1 H2O C2536 34.668 13.797 17.220 0.00 0.00 -ATOM 7608 H2 H2O C2536 33.575 14.578 18.148 0.00 0.00 -ATOM 7609 O1 H2O C2537 12.895 56.856 3.846 0.00 0.00 -ATOM 7610 H1 H2O C2537 12.804 57.620 4.484 0.00 0.00 -ATOM 7611 H2 H2O C2537 13.744 56.956 3.326 0.00 0.00 -ATOM 7612 O1 H2O C2538 16.724 45.067 37.250 0.00 0.00 -ATOM 7613 H1 H2O C2538 17.391 45.072 36.506 0.00 0.00 -ATOM 7614 H2 H2O C2538 16.702 45.968 37.684 0.00 0.00 -ATOM 7615 O1 H2O C2539 1.079 1.644 53.673 0.00 0.00 -ATOM 7616 H1 H2O C2539 0.133 1.959 53.752 0.00 0.00 -ATOM 7617 H2 H2O C2539 1.243 1.314 52.743 0.00 0.00 -ATOM 7618 O1 H2O C2540 52.182 38.742 37.305 0.00 0.00 -ATOM 7619 H1 H2O C2540 53.166 38.790 37.135 0.00 0.00 -ATOM 7620 H2 H2O C2540 51.820 39.665 37.432 0.00 0.00 -ATOM 7621 O1 H2O C2541 16.332 8.118 40.431 0.00 0.00 -ATOM 7622 H1 H2O C2541 16.779 7.224 40.400 0.00 0.00 -ATOM 7623 H2 H2O C2541 15.825 8.207 41.289 0.00 0.00 -ATOM 7624 O1 H2O C2542 46.704 7.921 25.262 0.00 0.00 -ATOM 7625 H1 H2O C2542 46.322 7.950 24.337 0.00 0.00 -ATOM 7626 H2 H2O C2542 47.461 8.572 25.329 0.00 0.00 -ATOM 7627 O1 H2O C2543 42.756 52.371 27.434 0.00 0.00 -ATOM 7628 H1 H2O C2543 43.605 51.901 27.189 0.00 0.00 -ATOM 7629 H2 H2O C2543 42.951 53.336 27.612 0.00 0.00 -ATOM 7630 O1 H2O C2544 22.666 17.699 36.695 0.00 0.00 -ATOM 7631 H1 H2O C2544 21.671 17.622 36.752 0.00 0.00 -ATOM 7632 H2 H2O C2544 23.015 17.036 36.033 0.00 0.00 -ATOM 7633 O1 H2O C2545 11.650 34.641 2.911 0.00 0.00 -ATOM 7634 H1 H2O C2545 11.267 33.843 3.376 0.00 0.00 -ATOM 7635 H2 H2O C2545 11.859 34.405 1.962 0.00 0.00 -ATOM 7636 O1 H2O C2546 25.236 54.440 57.535 0.00 0.00 -ATOM 7637 H1 H2O C2546 25.180 53.747 58.253 0.00 0.00 -ATOM 7638 H2 H2O C2546 24.524 54.271 56.853 0.00 0.00 -ATOM 7639 O1 H2O C2547 59.295 25.648 43.495 0.00 0.00 -ATOM 7640 H1 H2O C2547 59.857 26.029 42.761 0.00 0.00 -ATOM 7641 H2 H2O C2547 59.874 25.128 44.123 0.00 0.00 -ATOM 7642 O1 H2O C2548 17.662 39.088 3.385 0.00 0.00 -ATOM 7643 H1 H2O C2548 17.141 39.941 3.350 0.00 0.00 -ATOM 7644 H2 H2O C2548 17.725 38.697 2.467 0.00 0.00 -ATOM 7645 O1 H2O C2549 27.119 53.155 14.132 0.00 0.00 -ATOM 7646 H1 H2O C2549 27.834 53.239 14.827 0.00 0.00 -ATOM 7647 H2 H2O C2549 26.271 52.845 14.564 0.00 0.00 -ATOM 7648 O1 H2O C2550 1.899 23.999 33.690 0.00 0.00 -ATOM 7649 H1 H2O C2550 1.536 24.072 34.618 0.00 0.00 -ATOM 7650 H2 H2O C2550 2.825 24.376 33.664 0.00 0.00 -ATOM 7651 O1 H2O C2551 27.657 26.814 0.889 0.00 0.00 -ATOM 7652 H1 H2O C2551 27.980 27.112 -0.009 0.00 0.00 -ATOM 7653 H2 H2O C2551 28.186 26.019 1.186 0.00 0.00 -ATOM 7654 O1 H2O C2552 40.340 42.836 40.712 0.00 0.00 -ATOM 7655 H1 H2O C2552 40.260 41.894 41.036 0.00 0.00 -ATOM 7656 H2 H2O C2552 41.090 42.900 40.054 0.00 0.00 -ATOM 7657 O1 H2O C2553 46.545 9.392 4.319 0.00 0.00 -ATOM 7658 H1 H2O C2553 45.972 9.181 5.111 0.00 0.00 -ATOM 7659 H2 H2O C2553 46.866 8.541 3.904 0.00 0.00 -ATOM 7660 O1 H2O C2554 15.647 15.619 3.593 0.00 0.00 -ATOM 7661 H1 H2O C2554 14.943 16.110 4.106 0.00 0.00 -ATOM 7662 H2 H2O C2554 16.456 15.499 4.168 0.00 0.00 -ATOM 7663 O1 H2O C2555 3.248 21.260 22.291 0.00 0.00 -ATOM 7664 H1 H2O C2555 2.875 21.048 21.388 0.00 0.00 -ATOM 7665 H2 H2O C2555 4.089 21.792 22.188 0.00 0.00 -ATOM 7666 O1 H2O C2556 38.204 11.057 54.018 0.00 0.00 -ATOM 7667 H1 H2O C2556 38.436 11.965 53.668 0.00 0.00 -ATOM 7668 H2 H2O C2556 37.216 10.995 54.155 0.00 0.00 -ATOM 7669 O1 H2O C2557 3.478 4.975 50.134 0.00 0.00 -ATOM 7670 H1 H2O C2557 3.158 5.895 49.904 0.00 0.00 -ATOM 7671 H2 H2O C2557 4.151 4.678 49.456 0.00 0.00 -ATOM 7672 O1 H2O C2558 56.008 58.874 34.598 0.00 0.00 -ATOM 7673 H1 H2O C2558 55.706 59.174 35.503 0.00 0.00 -ATOM 7674 H2 H2O C2558 57.004 58.934 34.542 0.00 0.00 -ATOM 7675 O1 H2O C2559 1.748 25.286 38.473 0.00 0.00 -ATOM 7676 H1 H2O C2559 2.092 26.071 37.956 0.00 0.00 -ATOM 7677 H2 H2O C2559 2.066 25.346 39.419 0.00 0.00 -ATOM 7678 O1 H2O C2560 53.390 11.506 39.600 0.00 0.00 -ATOM 7679 H1 H2O C2560 53.367 11.833 40.545 0.00 0.00 -ATOM 7680 H2 H2O C2560 54.077 10.785 39.514 0.00 0.00 -ATOM 7681 O1 H2O C2561 40.252 29.907 43.032 0.00 0.00 -ATOM 7682 H1 H2O C2561 39.805 30.641 43.542 0.00 0.00 -ATOM 7683 H2 H2O C2561 40.226 29.064 43.569 0.00 0.00 -ATOM 7684 O1 H2O C2562 53.951 6.134 5.293 0.00 0.00 -ATOM 7685 H1 H2O C2562 53.417 5.963 4.464 0.00 0.00 -ATOM 7686 H2 H2O C2562 53.605 5.560 6.035 0.00 0.00 -ATOM 7687 O1 H2O C2563 20.644 51.056 44.500 0.00 0.00 -ATOM 7688 H1 H2O C2563 21.591 51.113 44.182 0.00 0.00 -ATOM 7689 H2 H2O C2563 20.127 50.448 43.898 0.00 0.00 -ATOM 7690 O1 H2O C2564 36.305 25.013 30.859 0.00 0.00 -ATOM 7691 H1 H2O C2564 35.575 25.090 30.180 0.00 0.00 -ATOM 7692 H2 H2O C2564 36.248 25.781 31.497 0.00 0.00 -ATOM 7693 O1 H2O C2565 55.466 56.201 31.262 0.00 0.00 -ATOM 7694 H1 H2O C2565 54.624 55.833 31.659 0.00 0.00 -ATOM 7695 H2 H2O C2565 56.130 56.373 31.990 0.00 0.00 -ATOM 7696 O1 H2O C2566 29.981 48.240 3.516 0.00 0.00 -ATOM 7697 H1 H2O C2566 30.369 48.789 4.256 0.00 0.00 -ATOM 7698 H2 H2O C2566 30.588 47.471 3.317 0.00 0.00 -ATOM 7699 O1 H2O C2567 8.511 12.511 49.020 0.00 0.00 -ATOM 7700 H1 H2O C2567 8.285 12.274 48.075 0.00 0.00 -ATOM 7701 H2 H2O C2567 9.427 12.173 49.238 0.00 0.00 -ATOM 7702 O1 H2O C2568 15.938 20.349 38.654 0.00 0.00 -ATOM 7703 H1 H2O C2568 15.754 21.246 38.252 0.00 0.00 -ATOM 7704 H2 H2O C2568 15.200 20.110 39.286 0.00 0.00 -ATOM 7705 O1 H2O C2569 17.887 35.232 20.971 0.00 0.00 -ATOM 7706 H1 H2O C2569 18.249 34.319 21.159 0.00 0.00 -ATOM 7707 H2 H2O C2569 17.588 35.282 20.018 0.00 0.00 -ATOM 7708 O1 H2O C2570 36.445 43.345 18.928 0.00 0.00 -ATOM 7709 H1 H2O C2570 35.588 43.164 19.409 0.00 0.00 -ATOM 7710 H2 H2O C2570 36.923 44.104 19.370 0.00 0.00 -ATOM 7711 O1 H2O C2571 44.940 22.098 38.234 0.00 0.00 -ATOM 7712 H1 H2O C2571 45.677 22.070 37.559 0.00 0.00 -ATOM 7713 H2 H2O C2571 44.170 21.548 37.910 0.00 0.00 -ATOM 7714 O1 H2O C2572 14.025 22.435 0.080 0.00 0.00 -ATOM 7715 H1 H2O C2572 13.055 22.191 0.086 0.00 0.00 -ATOM 7716 H2 H2O C2572 14.127 23.402 0.312 0.00 0.00 -ATOM 7717 O1 H2O C2573 32.074 51.469 52.872 0.00 0.00 -ATOM 7718 H1 H2O C2573 32.189 51.368 53.861 0.00 0.00 -ATOM 7719 H2 H2O C2573 31.911 50.571 52.462 0.00 0.00 -ATOM 7720 O1 H2O C2574 53.959 23.305 19.003 0.00 0.00 -ATOM 7721 H1 H2O C2574 53.825 24.027 18.324 0.00 0.00 -ATOM 7722 H2 H2O C2574 53.880 22.412 18.559 0.00 0.00 -ATOM 7723 O1 H2O C2575 43.694 16.834 43.038 0.00 0.00 -ATOM 7724 H1 H2O C2575 43.345 16.040 42.540 0.00 0.00 -ATOM 7725 H2 H2O C2575 43.854 16.585 43.993 0.00 0.00 -ATOM 7726 O1 H2O C2576 9.156 50.699 23.007 0.00 0.00 -ATOM 7727 H1 H2O C2576 9.494 51.510 22.529 0.00 0.00 -ATOM 7728 H2 H2O C2576 8.431 50.271 22.466 0.00 0.00 -ATOM 7729 O1 H2O C2577 26.223 20.972 34.715 0.00 0.00 -ATOM 7730 H1 H2O C2577 25.659 21.659 35.173 0.00 0.00 -ATOM 7731 H2 H2O C2577 26.826 20.536 35.384 0.00 0.00 -ATOM 7732 O1 H2O C2578 22.316 27.639 51.130 0.00 0.00 -ATOM 7733 H1 H2O C2578 22.699 26.721 51.236 0.00 0.00 -ATOM 7734 H2 H2O C2578 21.357 27.634 51.415 0.00 0.00 -ATOM 7735 O1 H2O C2579 52.359 21.386 35.740 0.00 0.00 -ATOM 7736 H1 H2O C2579 52.729 22.199 36.190 0.00 0.00 -ATOM 7737 H2 H2O C2579 51.361 21.392 35.808 0.00 0.00 -ATOM 7738 O1 H2O C2580 13.057 47.199 24.495 0.00 0.00 -ATOM 7739 H1 H2O C2580 12.289 47.817 24.328 0.00 0.00 -ATOM 7740 H2 H2O C2580 13.586 47.090 23.653 0.00 0.00 -ATOM 7741 O1 H2O C2581 7.856 59.819 42.528 0.00 0.00 -ATOM 7742 H1 H2O C2581 8.422 59.943 43.343 0.00 0.00 -ATOM 7743 H2 H2O C2581 8.445 59.732 41.724 0.00 0.00 -ATOM 7744 O1 H2O C2582 39.655 43.138 11.049 0.00 0.00 -ATOM 7745 H1 H2O C2582 39.001 42.407 11.242 0.00 0.00 -ATOM 7746 H2 H2O C2582 39.210 44.025 11.171 0.00 0.00 -ATOM 7747 O1 H2O C2583 44.819 18.521 33.375 0.00 0.00 -ATOM 7748 H1 H2O C2583 45.718 18.680 32.966 0.00 0.00 -ATOM 7749 H2 H2O C2583 44.111 18.896 32.777 0.00 0.00 -ATOM 7750 O1 H2O C2584 18.306 2.595 16.698 0.00 0.00 -ATOM 7751 H1 H2O C2584 17.840 1.788 16.332 0.00 0.00 -ATOM 7752 H2 H2O C2584 17.872 2.867 17.557 0.00 0.00 -ATOM 7753 O1 H2O C2585 22.136 3.476 10.739 0.00 0.00 -ATOM 7754 H1 H2O C2585 21.691 4.363 10.861 0.00 0.00 -ATOM 7755 H2 H2O C2585 21.642 2.947 10.049 0.00 0.00 -ATOM 7756 O1 H2O C2586 55.020 40.047 44.844 0.00 0.00 -ATOM 7757 H1 H2O C2586 55.697 40.662 44.441 0.00 0.00 -ATOM 7758 H2 H2O C2586 55.375 39.677 45.703 0.00 0.00 -ATOM 7759 O1 H2O C2587 49.981 4.944 53.370 0.00 0.00 -ATOM 7760 H1 H2O C2587 50.016 5.637 52.650 0.00 0.00 -ATOM 7761 H2 H2O C2587 49.060 4.555 53.414 0.00 0.00 -ATOM 7762 O1 H2O C2588 53.165 57.387 55.556 0.00 0.00 -ATOM 7763 H1 H2O C2588 52.486 56.962 56.156 0.00 0.00 -ATOM 7764 H2 H2O C2588 53.949 57.686 56.101 0.00 0.00 -ATOM 7765 O1 H2O C2589 1.929 21.653 54.763 0.00 0.00 -ATOM 7766 H1 H2O C2589 2.415 22.321 54.200 0.00 0.00 -ATOM 7767 H2 H2O C2589 2.256 21.711 55.707 0.00 0.00 -ATOM 7768 O1 H2O C2590 47.559 3.312 54.641 0.00 0.00 -ATOM 7769 H1 H2O C2590 47.866 2.359 54.631 0.00 0.00 -ATOM 7770 H2 H2O C2590 47.669 3.687 55.562 0.00 0.00 -ATOM 7771 O1 H2O C2591 57.360 30.674 33.501 0.00 0.00 -ATOM 7772 H1 H2O C2591 58.000 31.442 33.549 0.00 0.00 -ATOM 7773 H2 H2O C2591 57.418 30.249 32.597 0.00 0.00 -ATOM 7774 O1 H2O C2592 38.149 54.576 41.062 0.00 0.00 -ATOM 7775 H1 H2O C2592 37.815 55.380 41.555 0.00 0.00 -ATOM 7776 H2 H2O C2592 39.136 54.658 40.921 0.00 0.00 -ATOM 7777 O1 H2O C2593 28.100 41.898 8.429 0.00 0.00 -ATOM 7778 H1 H2O C2593 28.693 42.700 8.355 0.00 0.00 -ATOM 7779 H2 H2O C2593 27.847 41.584 7.514 0.00 0.00 -ATOM 7780 O1 H2O C2594 36.926 3.234 40.683 0.00 0.00 -ATOM 7781 H1 H2O C2594 37.237 3.773 39.900 0.00 0.00 -ATOM 7782 H2 H2O C2594 36.079 2.759 40.445 0.00 0.00 -ATOM 7783 O1 H2O C2595 59.062 14.204 19.698 0.00 0.00 -ATOM 7784 H1 H2O C2595 59.675 14.513 18.971 0.00 0.00 -ATOM 7785 H2 H2O C2595 58.540 14.983 20.047 0.00 0.00 -ATOM 7786 O1 H2O C2596 37.262 0.177 4.249 0.00 0.00 -ATOM 7787 H1 H2O C2596 37.683 0.343 3.357 0.00 0.00 -ATOM 7788 H2 H2O C2596 37.961 -0.133 4.894 0.00 0.00 -ATOM 7789 O1 H2O C2597 27.101 40.764 12.800 0.00 0.00 -ATOM 7790 H1 H2O C2597 26.492 40.801 12.007 0.00 0.00 -ATOM 7791 H2 H2O C2597 27.683 39.954 12.735 0.00 0.00 -ATOM 7792 O1 H2O C2598 52.636 32.886 37.170 0.00 0.00 -ATOM 7793 H1 H2O C2598 53.615 32.693 37.116 0.00 0.00 -ATOM 7794 H2 H2O C2598 52.473 33.596 37.855 0.00 0.00 -ATOM 7795 O1 H2O C2599 36.834 47.291 58.872 0.00 0.00 -ATOM 7796 H1 H2O C2599 36.002 47.830 59.006 0.00 0.00 -ATOM 7797 H2 H2O C2599 36.663 46.577 58.193 0.00 0.00 -ATOM 7798 O1 H2O C2600 47.292 40.107 15.336 0.00 0.00 -ATOM 7799 H1 H2O C2600 47.982 40.831 15.363 0.00 0.00 -ATOM 7800 H2 H2O C2600 47.565 39.412 14.670 0.00 0.00 -ATOM 7801 O1 H2O C2601 14.475 23.197 13.512 0.00 0.00 -ATOM 7802 H1 H2O C2601 13.496 23.351 13.649 0.00 0.00 -ATOM 7803 H2 H2O C2601 14.882 22.866 14.364 0.00 0.00 -ATOM 7804 O1 H2O C2602 29.889 20.644 20.819 0.00 0.00 -ATOM 7805 H1 H2O C2602 30.802 20.506 20.432 0.00 0.00 -ATOM 7806 H2 H2O C2602 29.221 20.713 20.078 0.00 0.00 -ATOM 7807 O1 H2O C2603 36.248 50.405 31.407 0.00 0.00 -ATOM 7808 H1 H2O C2603 35.305 50.409 31.739 0.00 0.00 -ATOM 7809 H2 H2O C2603 36.434 51.259 30.921 0.00 0.00 -ATOM 7810 O1 H2O C2604 36.552 11.117 58.639 0.00 0.00 -ATOM 7811 H1 H2O C2604 37.455 11.498 58.437 0.00 0.00 -ATOM 7812 H2 H2O C2604 36.512 10.169 58.323 0.00 0.00 -ATOM 7813 O1 H2O C2605 43.455 2.337 12.575 0.00 0.00 -ATOM 7814 H1 H2O C2605 43.347 3.314 12.755 0.00 0.00 -ATOM 7815 H2 H2O C2605 43.996 1.921 13.307 0.00 0.00 -ATOM 7816 O1 H2O C2606 16.165 29.721 59.468 0.00 0.00 -ATOM 7817 H1 H2O C2606 15.761 29.616 58.559 0.00 0.00 -ATOM 7818 H2 H2O C2606 15.568 30.290 60.034 0.00 0.00 -ATOM 7819 O1 H2O C2607 51.113 6.169 32.598 0.00 0.00 -ATOM 7820 H1 H2O C2607 51.447 6.938 32.053 0.00 0.00 -ATOM 7821 H2 H2O C2607 51.184 6.394 33.570 0.00 0.00 -ATOM 7822 O1 H2O C2608 11.214 56.243 5.233 0.00 0.00 -ATOM 7823 H1 H2O C2608 10.484 55.695 5.641 0.00 0.00 -ATOM 7824 H2 H2O C2608 11.781 56.636 5.957 0.00 0.00 -ATOM 7825 O1 H2O C2609 43.821 58.031 23.631 0.00 0.00 -ATOM 7826 H1 H2O C2609 43.598 58.134 24.600 0.00 0.00 -ATOM 7827 H2 H2O C2609 44.227 57.130 23.477 0.00 0.00 -ATOM 7828 O1 H2O C2610 52.303 9.856 14.443 0.00 0.00 -ATOM 7829 H1 H2O C2610 52.273 9.391 13.558 0.00 0.00 -ATOM 7830 H2 H2O C2610 52.847 9.317 15.085 0.00 0.00 -ATOM 7831 O1 H2O C2611 12.365 54.687 38.825 0.00 0.00 -ATOM 7832 H1 H2O C2611 11.563 55.285 38.799 0.00 0.00 -ATOM 7833 H2 H2O C2611 12.846 54.739 37.949 0.00 0.00 -ATOM 7834 O1 H2O C2612 28.611 38.934 9.955 0.00 0.00 -ATOM 7835 H1 H2O C2612 28.797 38.436 9.108 0.00 0.00 -ATOM 7836 H2 H2O C2612 27.756 38.604 10.354 0.00 0.00 -ATOM 7837 O1 H2O C2613 9.103 26.073 54.677 0.00 0.00 -ATOM 7838 H1 H2O C2613 9.017 26.967 54.238 0.00 0.00 -ATOM 7839 H2 H2O C2613 9.033 25.354 53.985 0.00 0.00 -ATOM 7840 O1 H2O C2614 23.614 12.025 45.527 0.00 0.00 -ATOM 7841 H1 H2O C2614 23.097 11.248 45.888 0.00 0.00 -ATOM 7842 H2 H2O C2614 24.210 11.712 44.786 0.00 0.00 -ATOM 7843 O1 H2O C2615 3.270 55.041 12.130 0.00 0.00 -ATOM 7844 H1 H2O C2615 2.557 55.207 12.811 0.00 0.00 -ATOM 7845 H2 H2O C2615 4.153 55.338 12.493 0.00 0.00 -ATOM 7846 O1 H2O C2616 4.021 28.357 45.999 0.00 0.00 -ATOM 7847 H1 H2O C2616 3.139 28.055 45.637 0.00 0.00 -ATOM 7848 H2 H2O C2616 4.273 29.228 45.577 0.00 0.00 -ATOM 7849 O1 H2O C2617 48.511 18.419 46.557 0.00 0.00 -ATOM 7850 H1 H2O C2617 49.094 19.020 47.103 0.00 0.00 -ATOM 7851 H2 H2O C2617 47.656 18.248 47.046 0.00 0.00 -ATOM 7852 O1 H2O C2618 4.255 37.839 55.738 0.00 0.00 -ATOM 7853 H1 H2O C2618 5.133 37.393 55.566 0.00 0.00 -ATOM 7854 H2 H2O C2618 3.599 37.565 55.036 0.00 0.00 -ATOM 7855 O1 H2O C2619 47.281 55.021 22.238 0.00 0.00 -ATOM 7856 H1 H2O C2619 47.559 55.380 21.348 0.00 0.00 -ATOM 7857 H2 H2O C2619 46.681 54.232 22.107 0.00 0.00 -ATOM 7858 O1 H2O C2620 24.800 35.116 50.076 0.00 0.00 -ATOM 7859 H1 H2O C2620 25.531 34.584 50.504 0.00 0.00 -ATOM 7860 H2 H2O C2620 25.169 35.622 49.296 0.00 0.00 -ATOM 7861 O1 H2O C2621 12.806 43.327 43.847 0.00 0.00 -ATOM 7862 H1 H2O C2621 13.407 43.513 44.624 0.00 0.00 -ATOM 7863 H2 H2O C2621 12.108 42.663 44.117 0.00 0.00 -ATOM 7864 O1 H2O C2622 7.076 44.061 7.160 0.00 0.00 -ATOM 7865 H1 H2O C2622 6.562 43.352 7.642 0.00 0.00 -ATOM 7866 H2 H2O C2622 7.276 44.813 7.788 0.00 0.00 -ATOM 7867 O1 H2O C2623 52.900 47.494 32.309 0.00 0.00 -ATOM 7868 H1 H2O C2623 52.544 48.412 32.132 0.00 0.00 -ATOM 7869 H2 H2O C2623 52.246 46.988 32.873 0.00 0.00 -ATOM 7870 O1 H2O C2624 19.938 56.617 35.217 0.00 0.00 -ATOM 7871 H1 H2O C2624 20.497 56.066 35.837 0.00 0.00 -ATOM 7872 H2 H2O C2624 19.603 57.426 35.700 0.00 0.00 -ATOM 7873 O1 H2O C2625 6.803 21.066 33.261 0.00 0.00 -ATOM 7874 H1 H2O C2625 7.084 20.153 32.963 0.00 0.00 -ATOM 7875 H2 H2O C2625 5.805 21.119 33.274 0.00 0.00 -ATOM 7876 O1 H2O C2626 31.554 12.462 23.083 0.00 0.00 -ATOM 7877 H1 H2O C2626 32.084 11.906 23.723 0.00 0.00 -ATOM 7878 H2 H2O C2626 31.444 11.964 22.223 0.00 0.00 -ATOM 7879 O1 H2O C2627 45.751 25.023 31.419 0.00 0.00 -ATOM 7880 H1 H2O C2627 46.533 24.991 32.042 0.00 0.00 -ATOM 7881 H2 H2O C2627 45.527 25.977 31.216 0.00 0.00 -ATOM 7882 O1 H2O C2628 47.543 39.016 1.810 0.00 0.00 -ATOM 7883 H1 H2O C2628 46.662 39.444 1.603 0.00 0.00 -ATOM 7884 H2 H2O C2628 47.573 38.769 2.779 0.00 0.00 -ATOM 7885 O1 H2O C2629 54.845 30.809 43.543 0.00 0.00 -ATOM 7886 H1 H2O C2629 55.318 31.272 42.794 0.00 0.00 -ATOM 7887 H2 H2O C2629 55.517 30.388 44.152 0.00 0.00 -ATOM 7888 O1 H2O C2630 38.863 52.312 21.468 0.00 0.00 -ATOM 7889 H1 H2O C2630 39.566 51.654 21.195 0.00 0.00 -ATOM 7890 H2 H2O C2630 38.919 52.469 22.454 0.00 0.00 -ATOM 7891 O1 H2O C2631 54.176 31.659 38.222 0.00 0.00 -ATOM 7892 H1 H2O C2631 54.446 32.469 37.702 0.00 0.00 -ATOM 7893 H2 H2O C2631 54.262 30.848 37.644 0.00 0.00 -ATOM 7894 O1 H2O C2632 38.583 44.022 46.869 0.00 0.00 -ATOM 7895 H1 H2O C2632 39.191 43.867 47.647 0.00 0.00 -ATOM 7896 H2 H2O C2632 37.639 44.095 47.192 0.00 0.00 -ATOM 7897 O1 H2O C2633 5.061 30.843 9.326 0.00 0.00 -ATOM 7898 H1 H2O C2633 4.165 31.289 9.302 0.00 0.00 -ATOM 7899 H2 H2O C2633 5.242 30.510 10.252 0.00 0.00 -ATOM 7900 O1 H2O C2634 25.857 7.162 26.082 0.00 0.00 -ATOM 7901 H1 H2O C2634 26.591 7.660 26.545 0.00 0.00 -ATOM 7902 H2 H2O C2634 25.233 7.815 25.651 0.00 0.00 -ATOM 7903 O1 H2O C2635 54.862 45.583 47.152 0.00 0.00 -ATOM 7904 H1 H2O C2635 55.698 45.391 46.638 0.00 0.00 -ATOM 7905 H2 H2O C2635 55.096 46.054 48.004 0.00 0.00 -ATOM 7906 O1 H2O C2636 53.150 46.764 17.795 0.00 0.00 -ATOM 7907 H1 H2O C2636 54.066 47.043 18.085 0.00 0.00 -ATOM 7908 H2 H2O C2636 52.840 47.356 17.052 0.00 0.00 -ATOM 7909 O1 H2O C2637 7.468 38.751 6.221 0.00 0.00 -ATOM 7910 H1 H2O C2637 8.142 39.027 5.536 0.00 0.00 -ATOM 7911 H2 H2O C2637 7.938 38.340 7.003 0.00 0.00 -ATOM 7912 O1 H2O C2638 20.899 4.253 5.609 0.00 0.00 -ATOM 7913 H1 H2O C2638 21.889 4.291 5.746 0.00 0.00 -ATOM 7914 H2 H2O C2638 20.546 3.389 5.969 0.00 0.00 -ATOM 7915 O1 H2O C2639 37.261 26.396 53.301 0.00 0.00 -ATOM 7916 H1 H2O C2639 36.716 27.098 52.843 0.00 0.00 -ATOM 7917 H2 H2O C2639 37.298 26.589 54.282 0.00 0.00 -ATOM 7918 O1 H2O C2640 13.911 25.435 3.560 0.00 0.00 -ATOM 7919 H1 H2O C2640 13.120 24.826 3.494 0.00 0.00 -ATOM 7920 H2 H2O C2640 13.598 26.382 3.633 0.00 0.00 -ATOM 7921 O1 H2O C2641 56.866 54.978 24.490 0.00 0.00 -ATOM 7922 H1 H2O C2641 55.881 54.941 24.322 0.00 0.00 -ATOM 7923 H2 H2O C2641 57.335 54.353 23.865 0.00 0.00 -ATOM 7924 O1 H2O C2642 58.308 55.651 39.624 0.00 0.00 -ATOM 7925 H1 H2O C2642 59.276 55.644 39.372 0.00 0.00 -ATOM 7926 H2 H2O C2642 58.001 56.595 39.742 0.00 0.00 -ATOM 7927 O1 H2O C2643 36.380 54.538 49.096 0.00 0.00 -ATOM 7928 H1 H2O C2643 35.848 53.707 48.933 0.00 0.00 -ATOM 7929 H2 H2O C2643 35.829 55.338 48.859 0.00 0.00 -ATOM 7930 O1 H2O C2644 39.886 23.903 39.367 0.00 0.00 -ATOM 7931 H1 H2O C2644 40.727 24.094 38.862 0.00 0.00 -ATOM 7932 H2 H2O C2644 39.252 23.399 38.781 0.00 0.00 -ATOM 7933 O1 H2O C2645 9.824 40.476 47.540 0.00 0.00 -ATOM 7934 H1 H2O C2645 9.354 40.920 46.777 0.00 0.00 -ATOM 7935 H2 H2O C2645 9.195 40.390 48.313 0.00 0.00 -ATOM 7936 O1 H2O C2646 14.490 8.654 54.753 0.00 0.00 -ATOM 7937 H1 H2O C2646 14.125 8.818 53.836 0.00 0.00 -ATOM 7938 H2 H2O C2646 14.780 7.700 54.830 0.00 0.00 -ATOM 7939 O1 H2O C2647 19.777 26.651 8.771 0.00 0.00 -ATOM 7940 H1 H2O C2647 19.788 27.351 8.057 0.00 0.00 -ATOM 7941 H2 H2O C2647 19.821 25.745 8.351 0.00 0.00 -ATOM 7942 O1 H2O C2648 23.804 39.947 40.790 0.00 0.00 -ATOM 7943 H1 H2O C2648 23.359 40.060 39.902 0.00 0.00 -ATOM 7944 H2 H2O C2648 23.238 40.364 41.502 0.00 0.00 -ATOM 7945 O1 H2O C2649 3.779 20.694 0.628 0.00 0.00 -ATOM 7946 H1 H2O C2649 3.556 21.454 0.018 0.00 0.00 -ATOM 7947 H2 H2O C2649 2.936 20.253 0.934 0.00 0.00 -ATOM 7948 O1 H2O C2650 9.408 37.934 12.888 0.00 0.00 -ATOM 7949 H1 H2O C2650 8.990 37.098 12.532 0.00 0.00 -ATOM 7950 H2 H2O C2650 8.810 38.335 13.582 0.00 0.00 -ATOM 7951 O1 H2O C2651 15.750 26.701 36.384 0.00 0.00 -ATOM 7952 H1 H2O C2651 16.299 25.867 36.456 0.00 0.00 -ATOM 7953 H2 H2O C2651 15.116 26.615 35.614 0.00 0.00 -ATOM 7954 O1 H2O C2652 54.043 10.492 16.458 0.00 0.00 -ATOM 7955 H1 H2O C2652 54.982 10.177 16.599 0.00 0.00 -ATOM 7956 H2 H2O C2652 53.919 10.748 15.498 0.00 0.00 -ATOM 7957 O1 H2O C2653 43.587 7.312 35.169 0.00 0.00 -ATOM 7958 H1 H2O C2653 44.529 7.568 34.950 0.00 0.00 -ATOM 7959 H2 H2O C2653 43.251 7.887 35.915 0.00 0.00 -ATOM 7960 O1 H2O C2654 29.819 40.016 57.081 0.00 0.00 -ATOM 7961 H1 H2O C2654 29.945 39.176 57.609 0.00 0.00 -ATOM 7962 H2 H2O C2654 29.098 40.568 57.501 0.00 0.00 -ATOM 7963 O1 H2O C2655 1.535 18.921 44.012 0.00 0.00 -ATOM 7964 H1 H2O C2655 2.509 18.696 43.985 0.00 0.00 -ATOM 7965 H2 H2O C2655 1.312 19.529 43.250 0.00 0.00 -ATOM 7966 O1 H2O C2656 46.541 10.124 23.292 0.00 0.00 -ATOM 7967 H1 H2O C2656 45.545 10.124 23.380 0.00 0.00 -ATOM 7968 H2 H2O C2656 46.916 9.318 23.749 0.00 0.00 -ATOM 7969 O1 H2O C2657 40.298 50.689 44.967 0.00 0.00 -ATOM 7970 H1 H2O C2657 40.352 51.624 44.616 0.00 0.00 -ATOM 7971 H2 H2O C2657 40.903 50.097 44.434 0.00 0.00 -ATOM 7972 O1 H2O C2658 52.070 4.709 30.957 0.00 0.00 -ATOM 7973 H1 H2O C2658 51.992 5.366 30.207 0.00 0.00 -ATOM 7974 H2 H2O C2658 51.595 5.065 31.762 0.00 0.00 -ATOM 7975 O1 H2O C2659 46.909 7.402 23.264 0.00 0.00 -ATOM 7976 H1 H2O C2659 47.372 7.995 23.922 0.00 0.00 -ATOM 7977 H2 H2O C2659 46.216 6.857 23.737 0.00 0.00 -ATOM 7978 O1 H2O C2660 43.020 6.540 21.983 0.00 0.00 -ATOM 7979 H1 H2O C2660 42.154 6.135 22.277 0.00 0.00 -ATOM 7980 H2 H2O C2660 42.953 6.807 21.022 0.00 0.00 -ATOM 7981 O1 H2O C2661 37.784 44.845 2.984 0.00 0.00 -ATOM 7982 H1 H2O C2661 37.949 44.212 2.228 0.00 0.00 -ATOM 7983 H2 H2O C2661 37.251 44.385 3.693 0.00 0.00 -ATOM 7984 O1 H2O C2662 53.633 57.101 9.400 0.00 0.00 -ATOM 7985 H1 H2O C2662 53.018 56.929 10.169 0.00 0.00 -ATOM 7986 H2 H2O C2662 53.231 57.793 8.800 0.00 0.00 -ATOM 7987 O1 H2O C2663 -0.163 42.115 55.974 0.00 0.00 -ATOM 7988 H1 H2O C2663 0.387 41.303 56.171 0.00 0.00 -ATOM 7989 H2 H2O C2663 0.361 42.740 55.396 0.00 0.00 -ATOM 7990 O1 H2O C2664 8.482 29.883 1.314 0.00 0.00 -ATOM 7991 H1 H2O C2664 8.825 29.711 0.391 0.00 0.00 -ATOM 7992 H2 H2O C2664 8.421 30.869 1.469 0.00 0.00 -ATOM 7993 O1 H2O C2665 22.020 49.646 27.080 0.00 0.00 -ATOM 7994 H1 H2O C2665 22.029 50.560 27.487 0.00 0.00 -ATOM 7995 H2 H2O C2665 22.567 49.650 26.242 0.00 0.00 -ATOM 7996 O1 H2O C2666 4.892 15.483 49.487 0.00 0.00 -ATOM 7997 H1 H2O C2666 5.876 15.649 49.425 0.00 0.00 -ATOM 7998 H2 H2O C2666 4.561 15.116 48.617 0.00 0.00 -ATOM 7999 O1 H2O C2667 15.199 44.571 30.989 0.00 0.00 -ATOM 8000 H1 H2O C2667 14.251 44.281 31.125 0.00 0.00 -ATOM 8001 H2 H2O C2667 15.265 45.111 30.150 0.00 0.00 -ATOM 8002 O1 H2O C2668 48.645 33.940 6.474 0.00 0.00 -ATOM 8003 H1 H2O C2668 49.440 34.071 5.879 0.00 0.00 -ATOM 8004 H2 H2O C2668 48.752 34.497 7.298 0.00 0.00 -ATOM 8005 O1 H2O C2669 9.646 41.891 4.401 0.00 0.00 -ATOM 8006 H1 H2O C2669 9.376 42.052 5.351 0.00 0.00 -ATOM 8007 H2 H2O C2669 9.835 42.767 3.956 0.00 0.00 -ATOM 8008 O1 H2O C2670 11.912 48.935 2.469 0.00 0.00 -ATOM 8009 H1 H2O C2670 11.605 48.294 1.766 0.00 0.00 -ATOM 8010 H2 H2O C2670 11.142 49.500 2.765 0.00 0.00 -ATOM 8011 O1 H2O C2671 36.675 41.173 12.947 0.00 0.00 -ATOM 8012 H1 H2O C2671 36.378 41.876 13.594 0.00 0.00 -ATOM 8013 H2 H2O C2671 37.668 41.222 12.835 0.00 0.00 -ATOM 8014 O1 H2O C2672 12.000 25.784 4.119 0.00 0.00 -ATOM 8015 H1 H2O C2672 11.972 26.267 4.994 0.00 0.00 -ATOM 8016 H2 H2O C2672 12.496 26.336 3.449 0.00 0.00 -ATOM 8017 O1 H2O C2673 44.674 29.171 44.932 0.00 0.00 -ATOM 8018 H1 H2O C2673 44.112 29.812 44.409 0.00 0.00 -ATOM 8019 H2 H2O C2673 44.194 28.916 45.772 0.00 0.00 -ATOM 8020 O1 H2O C2674 51.273 16.318 56.149 0.00 0.00 -ATOM 8021 H1 H2O C2674 51.496 17.050 56.792 0.00 0.00 -ATOM 8022 H2 H2O C2674 51.241 15.445 56.636 0.00 0.00 -ATOM 8023 O1 H2O C2675 32.319 58.663 50.234 0.00 0.00 -ATOM 8024 H1 H2O C2675 33.066 59.327 50.209 0.00 0.00 -ATOM 8025 H2 H2O C2675 32.632 57.794 49.849 0.00 0.00 -ATOM 8026 O1 H2O C2676 6.162 47.514 42.219 0.00 0.00 -ATOM 8027 H1 H2O C2676 6.701 47.346 41.394 0.00 0.00 -ATOM 8028 H2 H2O C2676 5.522 46.759 42.358 0.00 0.00 -ATOM 8029 O1 H2O C2677 37.814 38.496 49.107 0.00 0.00 -ATOM 8030 H1 H2O C2677 37.878 37.895 49.903 0.00 0.00 -ATOM 8031 H2 H2O C2677 38.506 39.215 49.175 0.00 0.00 -ATOM 8032 O1 H2O C2678 55.018 23.412 12.676 0.00 0.00 -ATOM 8033 H1 H2O C2678 55.957 23.707 12.497 0.00 0.00 -ATOM 8034 H2 H2O C2678 54.715 23.778 13.556 0.00 0.00 -ATOM 8035 O1 H2O C2679 9.263 33.361 51.631 0.00 0.00 -ATOM 8036 H1 H2O C2679 9.184 33.630 50.671 0.00 0.00 -ATOM 8037 H2 H2O C2679 9.217 34.175 52.210 0.00 0.00 -ATOM 8038 O1 H2O C2680 17.135 25.194 18.812 0.00 0.00 -ATOM 8039 H1 H2O C2680 16.975 24.234 19.043 0.00 0.00 -ATOM 8040 H2 H2O C2680 16.683 25.407 17.945 0.00 0.00 -ATOM 8041 O1 H2O C2681 6.247 38.742 8.551 0.00 0.00 -ATOM 8042 H1 H2O C2681 5.317 38.487 8.283 0.00 0.00 -ATOM 8043 H2 H2O C2681 6.654 39.311 7.835 0.00 0.00 -ATOM 8044 O1 H2O C2682 15.926 36.666 1.304 0.00 0.00 -ATOM 8045 H1 H2O C2682 16.819 37.113 1.240 0.00 0.00 -ATOM 8046 H2 H2O C2682 15.204 37.347 1.173 0.00 0.00 -ATOM 8047 O1 H2O C2683 32.582 4.620 19.553 0.00 0.00 -ATOM 8048 H1 H2O C2683 32.107 3.758 19.372 0.00 0.00 -ATOM 8049 H2 H2O C2683 32.850 4.656 20.516 0.00 0.00 -ATOM 8050 O1 H2O C2684 5.480 38.347 27.629 0.00 0.00 -ATOM 8051 H1 H2O C2684 6.205 37.688 27.431 0.00 0.00 -ATOM 8052 H2 H2O C2684 5.769 38.948 28.374 0.00 0.00 -ATOM 8053 O1 H2O C2685 2.504 51.233 5.706 0.00 0.00 -ATOM 8054 H1 H2O C2685 1.506 51.296 5.695 0.00 0.00 -ATOM 8055 H2 H2O C2685 2.885 51.869 5.033 0.00 0.00 -ATOM 8056 O1 H2O C2686 6.187 41.271 43.556 0.00 0.00 -ATOM 8057 H1 H2O C2686 6.485 42.068 44.081 0.00 0.00 -ATOM 8058 H2 H2O C2686 6.025 40.505 44.177 0.00 0.00 -ATOM 8059 O1 H2O C2687 9.882 0.460 3.582 0.00 0.00 -ATOM 8060 H1 H2O C2687 9.637 1.381 3.888 0.00 0.00 -ATOM 8061 H2 H2O C2687 9.344 0.226 2.771 0.00 0.00 -ATOM 8062 O1 H2O C2688 28.176 32.661 25.846 0.00 0.00 -ATOM 8063 H1 H2O C2688 27.837 32.466 26.766 0.00 0.00 -ATOM 8064 H2 H2O C2688 27.623 32.167 25.175 0.00 0.00 -ATOM 8065 O1 H2O C2689 51.626 48.287 43.186 0.00 0.00 -ATOM 8066 H1 H2O C2689 52.505 48.555 43.584 0.00 0.00 -ATOM 8067 H2 H2O C2689 50.912 48.354 43.883 0.00 0.00 -ATOM 8068 O1 H2O C2690 41.061 59.462 34.939 0.00 0.00 -ATOM 8069 H1 H2O C2690 40.955 59.342 35.926 0.00 0.00 -ATOM 8070 H2 H2O C2690 41.969 59.147 34.661 0.00 0.00 -ATOM 8071 O1 H2O C2691 20.868 25.461 11.449 0.00 0.00 -ATOM 8072 H1 H2O C2691 20.185 25.154 10.786 0.00 0.00 -ATOM 8073 H2 H2O C2691 21.699 24.914 11.349 0.00 0.00 -ATOM 8074 O1 H2O C2692 1.838 31.841 28.906 0.00 0.00 -ATOM 8075 H1 H2O C2692 1.352 31.936 28.037 0.00 0.00 -ATOM 8076 H2 H2O C2692 2.587 31.186 28.799 0.00 0.00 -ATOM 8077 O1 H2O C2693 27.339 47.651 41.714 0.00 0.00 -ATOM 8078 H1 H2O C2693 26.455 48.118 41.749 0.00 0.00 -ATOM 8079 H2 H2O C2693 28.010 48.170 42.245 0.00 0.00 -ATOM 8080 O1 H2O C2694 57.511 55.586 47.345 0.00 0.00 -ATOM 8081 H1 H2O C2694 57.642 56.119 46.510 0.00 0.00 -ATOM 8082 H2 H2O C2694 58.401 55.315 47.710 0.00 0.00 -ATOM 8083 O1 H2O C2695 26.910 50.140 50.195 0.00 0.00 -ATOM 8084 H1 H2O C2695 26.871 51.139 50.144 0.00 0.00 -ATOM 8085 H2 H2O C2695 26.047 49.792 50.560 0.00 0.00 -ATOM 8086 O1 H2O C2696 19.279 46.560 33.596 0.00 0.00 -ATOM 8087 H1 H2O C2696 18.330 46.420 33.311 0.00 0.00 -ATOM 8088 H2 H2O C2696 19.461 46.022 34.420 0.00 0.00 -ATOM 8089 O1 H2O C2697 46.726 1.330 34.083 0.00 0.00 -ATOM 8090 H1 H2O C2697 47.333 1.729 33.394 0.00 0.00 -ATOM 8091 H2 H2O C2697 45.792 1.654 33.931 0.00 0.00 -ATOM 8092 O1 H2O C2698 17.594 19.277 23.656 0.00 0.00 -ATOM 8093 H1 H2O C2698 17.928 18.536 23.074 0.00 0.00 -ATOM 8094 H2 H2O C2698 17.412 18.924 24.573 0.00 0.00 -ATOM 8095 O1 H2O C2699 17.678 19.166 17.430 0.00 0.00 -ATOM 8096 H1 H2O C2699 16.805 19.434 17.837 0.00 0.00 -ATOM 8097 H2 H2O C2699 17.652 18.194 17.195 0.00 0.00 -ATOM 8098 O1 H2O C2700 59.609 35.248 33.603 0.00 0.00 -ATOM 8099 H1 H2O C2700 60.054 35.152 32.713 0.00 0.00 -ATOM 8100 H2 H2O C2700 59.539 34.351 34.040 0.00 0.00 -ATOM 8101 O1 H2O C2701 49.694 35.558 45.039 0.00 0.00 -ATOM 8102 H1 H2O C2701 49.008 36.191 45.399 0.00 0.00 -ATOM 8103 H2 H2O C2701 50.608 35.936 45.193 0.00 0.00 -ATOM 8104 O1 H2O C2702 29.804 57.521 50.719 0.00 0.00 -ATOM 8105 H1 H2O C2702 30.022 57.030 49.876 0.00 0.00 -ATOM 8106 H2 H2O C2702 30.556 58.139 50.949 0.00 0.00 -ATOM 8107 O1 H2O C2703 38.843 19.426 8.163 0.00 0.00 -ATOM 8108 H1 H2O C2703 38.483 20.239 8.621 0.00 0.00 -ATOM 8109 H2 H2O C2703 39.311 19.697 7.322 0.00 0.00 -ATOM 8110 O1 H2O C2704 39.905 -0.000 52.320 0.00 0.00 -ATOM 8111 H1 H2O C2704 40.319 0.204 51.433 0.00 0.00 -ATOM 8112 H2 H2O C2704 38.987 0.398 52.358 0.00 0.00 -ATOM 8113 O1 H2O C2705 22.669 6.379 9.661 0.00 0.00 -ATOM 8114 H1 H2O C2705 23.061 7.011 10.329 0.00 0.00 -ATOM 8115 H2 H2O C2705 23.006 6.608 8.748 0.00 0.00 -ATOM 8116 O1 H2O C2706 46.679 3.769 35.098 0.00 0.00 -ATOM 8117 H1 H2O C2706 46.814 3.044 34.422 0.00 0.00 -ATOM 8118 H2 H2O C2706 47.505 4.330 35.154 0.00 0.00 -ATOM 8119 O1 H2O C2707 14.062 42.032 28.798 0.00 0.00 -ATOM 8120 H1 H2O C2707 14.203 42.339 29.739 0.00 0.00 -ATOM 8121 H2 H2O C2707 13.237 42.460 28.428 0.00 0.00 -ATOM 8122 O1 H2O C2708 31.940 10.078 40.722 0.00 0.00 -ATOM 8123 H1 H2O C2708 31.149 10.019 40.112 0.00 0.00 -ATOM 8124 H2 H2O C2708 31.636 10.344 41.636 0.00 0.00 -ATOM 8125 O1 H2O C2709 39.962 31.117 44.992 0.00 0.00 -ATOM 8126 H1 H2O C2709 39.187 31.485 44.477 0.00 0.00 -ATOM 8127 H2 H2O C2709 39.763 31.166 45.972 0.00 0.00 -ATOM 8128 O1 H2O C2710 46.445 10.462 13.726 0.00 0.00 -ATOM 8129 H1 H2O C2710 47.302 10.683 13.261 0.00 0.00 -ATOM 8130 H2 H2O C2710 46.186 11.218 14.326 0.00 0.00 -ATOM 8131 O1 H2O C2711 44.692 28.482 11.376 0.00 0.00 -ATOM 8132 H1 H2O C2711 45.011 28.335 10.439 0.00 0.00 -ATOM 8133 H2 H2O C2711 45.442 28.838 11.932 0.00 0.00 -ATOM 8134 O1 H2O C2712 25.828 3.513 57.426 0.00 0.00 -ATOM 8135 H1 H2O C2712 26.549 3.121 58.000 0.00 0.00 -ATOM 8136 H2 H2O C2712 25.050 3.771 58.000 0.00 0.00 -ATOM 8137 O1 H2O C2713 22.973 42.233 12.071 0.00 0.00 -ATOM 8138 H1 H2O C2713 23.444 41.411 11.753 0.00 0.00 -ATOM 8139 H2 H2O C2713 22.394 42.590 11.338 0.00 0.00 -ATOM 8140 O1 H2O C2714 2.397 44.758 19.614 0.00 0.00 -ATOM 8141 H1 H2O C2714 2.145 44.811 18.648 0.00 0.00 -ATOM 8142 H2 H2O C2714 1.582 44.565 20.161 0.00 0.00 -ATOM 8143 O1 H2O C2715 52.630 6.440 38.212 0.00 0.00 -ATOM 8144 H1 H2O C2715 53.178 5.840 38.796 0.00 0.00 -ATOM 8145 H2 H2O C2715 53.229 6.904 37.558 0.00 0.00 -ATOM 8146 O1 H2O C2716 34.815 38.407 21.779 0.00 0.00 -ATOM 8147 H1 H2O C2716 35.798 38.575 21.855 0.00 0.00 -ATOM 8148 H2 H2O C2716 34.461 38.096 22.662 0.00 0.00 -ATOM 8149 O1 H2O C2717 23.108 20.562 49.094 0.00 0.00 -ATOM 8150 H1 H2O C2717 22.779 19.913 49.780 0.00 0.00 -ATOM 8151 H2 H2O C2717 23.599 21.306 49.548 0.00 0.00 -ATOM 8152 O1 H2O C2718 45.099 31.306 44.284 0.00 0.00 -ATOM 8153 H1 H2O C2718 44.504 32.033 44.628 0.00 0.00 -ATOM 8154 H2 H2O C2718 45.626 31.648 43.506 0.00 0.00 -ATOM 8155 O1 H2O C2719 1.329 3.888 46.783 0.00 0.00 -ATOM 8156 H1 H2O C2719 0.570 4.330 47.261 0.00 0.00 -ATOM 8157 H2 H2O C2719 1.789 4.556 46.198 0.00 0.00 -ATOM 8158 O1 H2O C2720 21.604 57.767 13.800 0.00 0.00 -ATOM 8159 H1 H2O C2720 21.984 58.289 14.563 0.00 0.00 -ATOM 8160 H2 H2O C2720 20.611 57.703 13.902 0.00 0.00 -ATOM 8161 O1 H2O C2721 8.262 23.960 7.962 0.00 0.00 -ATOM 8162 H1 H2O C2721 8.577 23.015 7.871 0.00 0.00 -ATOM 8163 H2 H2O C2721 7.472 24.107 7.367 0.00 0.00 -ATOM 8164 O1 H2O C2722 32.789 47.521 40.229 0.00 0.00 -ATOM 8165 H1 H2O C2722 33.729 47.815 40.403 0.00 0.00 -ATOM 8166 H2 H2O C2722 32.798 46.689 39.674 0.00 0.00 -ATOM 8167 O1 H2O C2723 37.556 9.865 15.543 0.00 0.00 -ATOM 8168 H1 H2O C2723 38.410 10.104 15.080 0.00 0.00 -ATOM 8169 H2 H2O C2723 37.658 8.976 15.989 0.00 0.00 -ATOM 8170 O1 H2O C2724 34.051 32.780 34.935 0.00 0.00 -ATOM 8171 H1 H2O C2724 33.360 32.391 34.325 0.00 0.00 -ATOM 8172 H2 H2O C2724 33.613 33.408 35.577 0.00 0.00 -ATOM 8173 O1 H2O C2725 59.484 59.176 46.106 0.00 0.00 -ATOM 8174 H1 H2O C2725 59.962 59.642 46.850 0.00 0.00 -ATOM 8175 H2 H2O C2725 58.969 58.402 46.475 0.00 0.00 -ATOM 8176 O1 H2O C2726 27.256 25.331 48.658 0.00 0.00 -ATOM 8177 H1 H2O C2726 27.214 26.123 48.048 0.00 0.00 -ATOM 8178 H2 H2O C2726 26.751 25.531 49.498 0.00 0.00 -ATOM 8179 O1 H2O C2727 51.721 56.172 54.153 0.00 0.00 -ATOM 8180 H1 H2O C2727 52.484 55.526 54.144 0.00 0.00 -ATOM 8181 H2 H2O C2727 51.749 56.732 53.325 0.00 0.00 -ATOM 8182 O1 H2O C2728 20.667 2.460 5.218 0.00 0.00 -ATOM 8183 H1 H2O C2728 20.479 2.355 4.241 0.00 0.00 -ATOM 8184 H2 H2O C2728 20.257 1.698 5.719 0.00 0.00 -ATOM 8185 O1 H2O C2729 30.463 53.989 4.542 0.00 0.00 -ATOM 8186 H1 H2O C2729 31.394 53.651 4.405 0.00 0.00 -ATOM 8187 H2 H2O C2729 29.822 53.418 4.028 0.00 0.00 -ATOM 8188 O1 H2O C2730 6.759 13.747 8.055 0.00 0.00 -ATOM 8189 H1 H2O C2730 6.182 13.279 7.385 0.00 0.00 -ATOM 8190 H2 H2O C2730 7.053 13.095 8.754 0.00 0.00 -ATOM 8191 O1 H2O C2731 35.794 45.910 41.314 0.00 0.00 -ATOM 8192 H1 H2O C2731 35.082 46.143 40.651 0.00 0.00 -ATOM 8193 H2 H2O C2731 36.547 45.447 40.846 0.00 0.00 -ATOM 8194 O1 H2O C2732 19.794 22.003 53.991 0.00 0.00 -ATOM 8195 H1 H2O C2732 18.876 22.115 53.607 0.00 0.00 -ATOM 8196 H2 H2O C2732 20.470 22.352 53.341 0.00 0.00 -ATOM 8197 O1 H2O C2733 3.418 3.688 20.656 0.00 0.00 -ATOM 8198 H1 H2O C2733 4.386 3.939 20.673 0.00 0.00 -ATOM 8199 H2 H2O C2733 3.292 2.886 20.072 0.00 0.00 -ATOM 8200 O1 H2O C2734 48.452 58.993 8.852 0.00 0.00 -ATOM 8201 H1 H2O C2734 49.277 58.952 9.415 0.00 0.00 -ATOM 8202 H2 H2O C2734 47.777 58.343 9.202 0.00 0.00 -ATOM 8203 O1 H2O C2735 37.667 51.937 22.566 0.00 0.00 -ATOM 8204 H1 H2O C2735 37.384 52.445 23.379 0.00 0.00 -ATOM 8205 H2 H2O C2735 37.705 52.556 21.782 0.00 0.00 -ATOM 8206 O1 H2O C2736 2.460 25.736 20.990 0.00 0.00 -ATOM 8207 H1 H2O C2736 2.229 26.212 20.142 0.00 0.00 -ATOM 8208 H2 H2O C2736 2.511 26.396 21.739 0.00 0.00 -ATOM 8209 O1 H2O C2737 12.323 38.070 8.639 0.00 0.00 -ATOM 8210 H1 H2O C2737 13.268 37.979 8.951 0.00 0.00 -ATOM 8211 H2 H2O C2737 12.212 38.940 8.159 0.00 0.00 -ATOM 8212 O1 H2O C2738 22.394 45.308 37.909 0.00 0.00 -ATOM 8213 H1 H2O C2738 22.819 44.446 37.629 0.00 0.00 -ATOM 8214 H2 H2O C2738 21.406 45.254 37.764 0.00 0.00 -ATOM 8215 O1 H2O C2739 49.632 33.037 50.327 0.00 0.00 -ATOM 8216 H1 H2O C2739 49.196 32.580 51.102 0.00 0.00 -ATOM 8217 H2 H2O C2739 50.233 32.393 49.855 0.00 0.00 -ATOM 8218 O1 H2O C2740 9.323 55.281 7.598 0.00 0.00 -ATOM 8219 H1 H2O C2740 8.511 54.825 7.966 0.00 0.00 -ATOM 8220 H2 H2O C2740 9.697 54.736 6.847 0.00 0.00 -ATOM 8221 O1 H2O C2741 18.083 14.270 52.576 0.00 0.00 -ATOM 8222 H1 H2O C2741 18.373 15.117 53.019 0.00 0.00 -ATOM 8223 H2 H2O C2741 17.094 14.162 52.677 0.00 0.00 -ATOM 8224 O1 H2O C2742 1.704 44.872 13.978 0.00 0.00 -ATOM 8225 H1 H2O C2742 1.941 45.611 13.348 0.00 0.00 -ATOM 8226 H2 H2O C2742 2.496 44.275 14.105 0.00 0.00 -ATOM 8227 O1 H2O C2743 23.903 13.859 18.640 0.00 0.00 -ATOM 8228 H1 H2O C2743 23.519 13.097 18.116 0.00 0.00 -ATOM 8229 H2 H2O C2743 23.451 13.910 19.531 0.00 0.00 -ATOM 8230 O1 H2O C2744 55.945 46.692 27.634 0.00 0.00 -ATOM 8231 H1 H2O C2744 54.958 46.530 27.611 0.00 0.00 -ATOM 8232 H2 H2O C2744 56.357 46.355 26.787 0.00 0.00 -ATOM 8233 O1 H2O C2745 18.288 50.237 52.082 0.00 0.00 -ATOM 8234 H1 H2O C2745 18.990 49.561 52.307 0.00 0.00 -ATOM 8235 H2 H2O C2745 17.626 50.292 52.829 0.00 0.00 -ATOM 8236 O1 H2O C2746 30.769 54.539 30.603 0.00 0.00 -ATOM 8237 H1 H2O C2746 30.616 53.596 30.305 0.00 0.00 -ATOM 8238 H2 H2O C2746 31.598 54.582 31.161 0.00 0.00 -ATOM 8239 O1 H2O C2747 11.451 3.382 48.960 0.00 0.00 -ATOM 8240 H1 H2O C2747 11.969 2.601 49.310 0.00 0.00 -ATOM 8241 H2 H2O C2747 10.476 3.162 48.960 0.00 0.00 -ATOM 8242 O1 H2O C2748 40.470 38.110 3.005 0.00 0.00 -ATOM 8243 H1 H2O C2748 40.932 38.118 2.118 0.00 0.00 -ATOM 8244 H2 H2O C2748 41.134 38.300 3.729 0.00 0.00 -ATOM 8245 O1 H2O C2749 16.688 45.204 59.564 0.00 0.00 -ATOM 8246 H1 H2O C2749 16.890 45.816 60.329 0.00 0.00 -ATOM 8247 H2 H2O C2749 15.701 45.181 59.407 0.00 0.00 -ATOM 8248 O1 H2O C2750 59.218 26.524 11.533 0.00 0.00 -ATOM 8249 H1 H2O C2750 59.772 26.532 12.365 0.00 0.00 -ATOM 8250 H2 H2O C2750 59.216 27.438 11.125 0.00 0.00 -ATOM 8251 O1 H2O C2751 4.785 14.869 52.929 0.00 0.00 -ATOM 8252 H1 H2O C2751 4.288 15.559 53.455 0.00 0.00 -ATOM 8253 H2 H2O C2751 4.503 13.956 53.226 0.00 0.00 -ATOM 8254 O1 H2O C2752 44.774 38.592 14.664 0.00 0.00 -ATOM 8255 H1 H2O C2752 44.910 39.580 14.591 0.00 0.00 -ATOM 8256 H2 H2O C2752 44.109 38.399 15.386 0.00 0.00 -ATOM 8257 O1 H2O C2753 15.658 4.371 52.076 0.00 0.00 -ATOM 8258 H1 H2O C2753 16.429 4.993 51.941 0.00 0.00 -ATOM 8259 H2 H2O C2753 15.656 4.045 53.023 0.00 0.00 -ATOM 8260 O1 H2O C2754 22.038 49.604 0.245 0.00 0.00 -ATOM 8261 H1 H2O C2754 22.512 50.481 0.162 0.00 0.00 -ATOM 8262 H2 H2O C2754 21.050 49.757 0.239 0.00 0.00 -ATOM 8263 O1 H2O C2755 43.294 55.535 19.015 0.00 0.00 -ATOM 8264 H1 H2O C2755 43.212 56.500 18.765 0.00 0.00 -ATOM 8265 H2 H2O C2755 42.412 55.082 18.885 0.00 0.00 -ATOM 8266 O1 H2O C2756 48.961 41.911 41.898 0.00 0.00 -ATOM 8267 H1 H2O C2756 49.003 42.397 41.025 0.00 0.00 -ATOM 8268 H2 H2O C2756 48.564 41.004 41.756 0.00 0.00 -ATOM 8269 O1 H2O C2757 27.556 49.689 34.840 0.00 0.00 -ATOM 8270 H1 H2O C2757 27.755 50.145 33.973 0.00 0.00 -ATOM 8271 H2 H2O C2757 27.959 48.774 34.836 0.00 0.00 -ATOM 8272 O1 H2O C2758 30.800 18.040 10.963 0.00 0.00 -ATOM 8273 H1 H2O C2758 30.396 18.103 10.050 0.00 0.00 -ATOM 8274 H2 H2O C2758 31.125 18.942 11.246 0.00 0.00 -ATOM 8275 O1 H2O C2759 3.284 30.975 13.679 0.00 0.00 -ATOM 8276 H1 H2O C2759 3.976 30.674 14.337 0.00 0.00 -ATOM 8277 H2 H2O C2759 3.294 30.367 12.885 0.00 0.00 -ATOM 8278 O1 H2O C2760 40.860 12.338 22.620 0.00 0.00 -ATOM 8279 H1 H2O C2760 39.893 12.257 22.862 0.00 0.00 -ATOM 8280 H2 H2O C2760 40.942 12.614 21.662 0.00 0.00 -ATOM 8281 O1 H2O C2761 29.523 38.688 10.169 0.00 0.00 -ATOM 8282 H1 H2O C2761 28.686 38.215 10.445 0.00 0.00 -ATOM 8283 H2 H2O C2761 29.985 38.159 9.458 0.00 0.00 -ATOM 8284 O1 H2O C2762 26.252 56.593 47.389 0.00 0.00 -ATOM 8285 H1 H2O C2762 26.745 56.290 48.205 0.00 0.00 -ATOM 8286 H2 H2O C2762 25.837 57.486 47.562 0.00 0.00 -ATOM 8287 O1 H2O C2763 21.939 59.635 41.570 0.00 0.00 -ATOM 8288 H1 H2O C2763 22.168 60.502 41.126 0.00 0.00 -ATOM 8289 H2 H2O C2763 21.273 59.800 42.298 0.00 0.00 -ATOM 8290 O1 H2O C2764 50.420 45.618 10.175 0.00 0.00 -ATOM 8291 H1 H2O C2764 51.411 45.514 10.089 0.00 0.00 -ATOM 8292 H2 H2O C2764 50.010 45.665 9.263 0.00 0.00 -ATOM 8293 O1 H2O C2765 10.505 14.149 51.679 0.00 0.00 -ATOM 8294 H1 H2O C2765 10.065 14.687 50.960 0.00 0.00 -ATOM 8295 H2 H2O C2765 9.812 13.819 52.320 0.00 0.00 -ATOM 8296 O1 H2O C2766 35.998 5.582 35.700 0.00 0.00 -ATOM 8297 H1 H2O C2766 36.943 5.794 35.950 0.00 0.00 -ATOM 8298 H2 H2O C2766 35.624 4.914 36.343 0.00 0.00 -ATOM 8299 O1 H2O C2767 0.316 57.511 34.686 0.00 0.00 -ATOM 8300 H1 H2O C2767 0.308 56.570 34.345 0.00 0.00 -ATOM 8301 H2 H2O C2767 0.355 57.502 35.685 0.00 0.00 -ATOM 8302 O1 H2O C2768 33.117 42.755 37.200 0.00 0.00 -ATOM 8303 H1 H2O C2768 32.837 41.795 37.253 0.00 0.00 -ATOM 8304 H2 H2O C2768 32.967 43.093 36.270 0.00 0.00 -ATOM 8305 O1 H2O C2769 49.126 11.098 20.436 0.00 0.00 -ATOM 8306 H1 H2O C2769 49.927 10.524 20.609 0.00 0.00 -ATOM 8307 H2 H2O C2769 48.454 10.960 21.163 0.00 0.00 -ATOM 8308 O1 H2O C2770 22.169 15.760 46.189 0.00 0.00 -ATOM 8309 H1 H2O C2770 22.279 14.825 45.850 0.00 0.00 -ATOM 8310 H2 H2O C2770 22.841 16.356 45.746 0.00 0.00 -ATOM 8311 O1 H2O C2771 27.553 3.109 50.722 0.00 0.00 -ATOM 8312 H1 H2O C2771 27.348 3.895 51.305 0.00 0.00 -ATOM 8313 H2 H2O C2771 28.110 2.453 51.231 0.00 0.00 -ATOM 8314 O1 H2O C2772 22.708 59.730 7.063 0.00 0.00 -ATOM 8315 H1 H2O C2772 22.067 59.198 7.616 0.00 0.00 -ATOM 8316 H2 H2O C2772 22.580 60.704 7.248 0.00 0.00 -ATOM 8317 O1 H2O C2773 7.257 37.606 12.769 0.00 0.00 -ATOM 8318 H1 H2O C2773 7.793 36.779 12.935 0.00 0.00 -ATOM 8319 H2 H2O C2773 6.680 37.795 13.564 0.00 0.00 -ATOM 8320 O1 H2O C2774 39.410 32.651 14.262 0.00 0.00 -ATOM 8321 H1 H2O C2774 39.558 32.800 15.240 0.00 0.00 -ATOM 8322 H2 H2O C2774 39.295 33.532 13.804 0.00 0.00 -ATOM 8323 O1 H2O C2775 14.437 51.991 29.367 0.00 0.00 -ATOM 8324 H1 H2O C2775 14.528 51.015 29.566 0.00 0.00 -ATOM 8325 H2 H2O C2775 14.774 52.522 30.145 0.00 0.00 -ATOM 8326 O1 H2O C2776 26.104 12.692 5.112 0.00 0.00 -ATOM 8327 H1 H2O C2776 25.918 11.718 5.244 0.00 0.00 -ATOM 8328 H2 H2O C2776 25.386 13.094 4.544 0.00 0.00 -ATOM 8329 O1 H2O C2777 6.582 32.344 44.704 0.00 0.00 -ATOM 8330 H1 H2O C2777 5.975 32.782 44.041 0.00 0.00 -ATOM 8331 H2 H2O C2777 7.523 32.379 44.368 0.00 0.00 -ATOM 8332 O1 H2O C2778 40.561 27.907 12.340 0.00 0.00 -ATOM 8333 H1 H2O C2778 40.523 28.757 11.814 0.00 0.00 -ATOM 8334 H2 H2O C2778 41.382 27.904 12.910 0.00 0.00 -ATOM 8335 O1 H2O C2779 4.040 5.568 25.840 0.00 0.00 -ATOM 8336 H1 H2O C2779 4.995 5.781 26.050 0.00 0.00 -ATOM 8337 H2 H2O C2779 3.896 5.627 24.852 0.00 0.00 -ATOM 8338 O1 H2O C2780 46.061 33.325 33.399 0.00 0.00 -ATOM 8339 H1 H2O C2780 45.491 33.090 34.187 0.00 0.00 -ATOM 8340 H2 H2O C2780 46.765 32.625 33.277 0.00 0.00 -ATOM 8341 O1 H2O C2781 3.356 51.527 1.616 0.00 0.00 -ATOM 8342 H1 H2O C2781 3.727 52.120 0.902 0.00 0.00 -ATOM 8343 H2 H2O C2781 2.604 51.994 2.081 0.00 0.00 -ATOM 8344 O1 H2O C2782 57.600 4.172 39.603 0.00 0.00 -ATOM 8345 H1 H2O C2782 57.830 5.090 39.281 0.00 0.00 -ATOM 8346 H2 H2O C2782 57.771 4.111 40.586 0.00 0.00 -ATOM 8347 O1 H2O C2783 20.860 5.081 15.726 0.00 0.00 -ATOM 8348 H1 H2O C2783 20.728 6.053 15.924 0.00 0.00 -ATOM 8349 H2 H2O C2783 20.730 4.921 14.747 0.00 0.00 -ATOM 8350 O1 H2O C2784 21.780 37.248 26.086 0.00 0.00 -ATOM 8351 H1 H2O C2784 22.157 38.111 26.424 0.00 0.00 -ATOM 8352 H2 H2O C2784 21.981 36.519 26.740 0.00 0.00 -ATOM 8353 O1 H2O C2785 28.577 41.034 17.900 0.00 0.00 -ATOM 8354 H1 H2O C2785 28.408 40.326 18.586 0.00 0.00 -ATOM 8355 H2 H2O C2785 27.884 40.974 17.182 0.00 0.00 -ATOM 8356 O1 H2O C2786 44.789 0.578 15.888 0.00 0.00 -ATOM 8357 H1 H2O C2786 44.055 -0.091 15.774 0.00 0.00 -ATOM 8358 H2 H2O C2786 45.649 0.101 16.069 0.00 0.00 -ATOM 8359 O1 H2O C2787 1.097 14.440 47.374 0.00 0.00 -ATOM 8360 H1 H2O C2787 1.048 15.410 47.138 0.00 0.00 -ATOM 8361 H2 H2O C2787 1.950 14.054 47.022 0.00 0.00 -ATOM 8362 O1 H2O C2788 36.617 43.989 45.005 0.00 0.00 -ATOM 8363 H1 H2O C2788 37.419 43.805 44.436 0.00 0.00 -ATOM 8364 H2 H2O C2788 36.323 43.143 45.450 0.00 0.00 -ATOM 8365 O1 H2O C2789 41.699 24.442 21.778 0.00 0.00 -ATOM 8366 H1 H2O C2789 42.086 23.789 22.429 0.00 0.00 -ATOM 8367 H2 H2O C2789 41.678 24.031 20.866 0.00 0.00 -ATOM 8368 O1 H2O C2790 48.415 14.473 34.729 0.00 0.00 -ATOM 8369 H1 H2O C2790 49.169 14.807 34.163 0.00 0.00 -ATOM 8370 H2 H2O C2790 48.411 13.473 34.723 0.00 0.00 -ATOM 8371 O1 H2O C2791 8.183 52.590 28.923 0.00 0.00 -ATOM 8372 H1 H2O C2791 8.568 53.469 29.203 0.00 0.00 -ATOM 8373 H2 H2O C2791 7.456 52.742 28.255 0.00 0.00 -ATOM 8374 O1 H2O C2792 37.242 13.005 47.448 0.00 0.00 -ATOM 8375 H1 H2O C2792 36.873 13.727 46.861 0.00 0.00 -ATOM 8376 H2 H2O C2792 37.815 12.393 46.902 0.00 0.00 -ATOM 8377 O1 H2O C2793 7.191 27.782 11.556 0.00 0.00 -ATOM 8378 H1 H2O C2793 6.824 28.509 12.136 0.00 0.00 -ATOM 8379 H2 H2O C2793 6.800 26.905 11.834 0.00 0.00 -ATOM 8380 O1 H2O C2794 23.376 53.558 24.177 0.00 0.00 -ATOM 8381 H1 H2O C2794 23.897 53.065 24.874 0.00 0.00 -ATOM 8382 H2 H2O C2794 23.474 54.543 24.321 0.00 0.00 -ATOM 8383 O1 H2O C2795 18.699 57.372 1.545 0.00 0.00 -ATOM 8384 H1 H2O C2795 18.771 57.096 2.504 0.00 0.00 -ATOM 8385 H2 H2O C2795 18.941 58.338 1.457 0.00 0.00 -ATOM 8386 O1 H2O C2796 23.356 41.582 32.255 0.00 0.00 -ATOM 8387 H1 H2O C2796 24.256 41.513 31.823 0.00 0.00 -ATOM 8388 H2 H2O C2796 22.971 42.489 32.078 0.00 0.00 -ATOM 8389 O1 H2O C2797 39.018 10.112 56.235 0.00 0.00 -ATOM 8390 H1 H2O C2797 39.248 9.181 56.518 0.00 0.00 -ATOM 8391 H2 H2O C2797 38.472 10.552 56.948 0.00 0.00 -ATOM 8392 O1 H2O C2798 32.865 50.826 20.726 0.00 0.00 -ATOM 8393 H1 H2O C2798 32.747 49.834 20.708 0.00 0.00 -ATOM 8394 H2 H2O C2798 31.988 51.270 20.545 0.00 0.00 -ATOM 8395 O1 H2O C2799 40.969 47.052 48.514 0.00 0.00 -ATOM 8396 H1 H2O C2799 41.050 47.061 47.518 0.00 0.00 -ATOM 8397 H2 H2O C2799 40.081 47.428 48.780 0.00 0.00 -ATOM 8398 O1 H2O C2800 4.205 48.572 29.853 0.00 0.00 -ATOM 8399 H1 H2O C2800 4.067 47.898 29.128 0.00 0.00 -ATOM 8400 H2 H2O C2800 3.379 49.126 29.955 0.00 0.00 -ATOM 8401 O1 H2O C2801 45.598 42.298 14.802 0.00 0.00 -ATOM 8402 H1 H2O C2801 45.459 42.984 15.517 0.00 0.00 -ATOM 8403 H2 H2O C2801 46.564 42.041 14.771 0.00 0.00 -ATOM 8404 O1 H2O C2802 13.275 40.181 12.487 0.00 0.00 -ATOM 8405 H1 H2O C2802 13.850 40.824 11.979 0.00 0.00 -ATOM 8406 H2 H2O C2802 13.027 39.416 11.892 0.00 0.00 -ATOM 8407 O1 H2O C2803 22.701 4.286 14.952 0.00 0.00 -ATOM 8408 H1 H2O C2803 21.989 3.804 14.441 0.00 0.00 -ATOM 8409 H2 H2O C2803 23.433 4.558 14.328 0.00 0.00 -ATOM 8410 O1 H2O C2804 10.933 40.027 15.908 0.00 0.00 -ATOM 8411 H1 H2O C2804 10.111 39.767 15.401 0.00 0.00 -ATOM 8412 H2 H2O C2804 10.828 39.766 16.868 0.00 0.00 -ATOM 8413 O1 H2O C2805 33.844 7.714 12.407 0.00 0.00 -ATOM 8414 H1 H2O C2805 33.645 8.506 12.984 0.00 0.00 -ATOM 8415 H2 H2O C2805 34.243 8.024 11.543 0.00 0.00 -ATOM 8416 O1 H2O C2806 47.167 34.225 24.086 0.00 0.00 -ATOM 8417 H1 H2O C2806 46.893 34.159 23.126 0.00 0.00 -ATOM 8418 H2 H2O C2806 46.942 33.370 24.555 0.00 0.00 -ATOM 8419 O1 H2O C2807 16.242 8.911 44.722 0.00 0.00 -ATOM 8420 H1 H2O C2807 16.794 8.602 45.496 0.00 0.00 -ATOM 8421 H2 H2O C2807 15.983 8.123 44.162 0.00 0.00 -ATOM 8422 O1 H2O C2808 35.681 4.418 46.440 0.00 0.00 -ATOM 8423 H1 H2O C2808 35.802 5.324 46.848 0.00 0.00 -ATOM 8424 H2 H2O C2808 35.003 3.904 46.968 0.00 0.00 -ATOM 8425 O1 H2O C2809 2.713 5.731 42.199 0.00 0.00 -ATOM 8426 H1 H2O C2809 2.867 6.718 42.154 0.00 0.00 -ATOM 8427 H2 H2O C2809 2.529 5.381 41.281 0.00 0.00 -ATOM 8428 O1 H2O C2810 36.970 5.234 29.646 0.00 0.00 -ATOM 8429 H1 H2O C2810 37.012 6.232 29.675 0.00 0.00 -ATOM 8430 H2 H2O C2810 36.538 4.942 28.793 0.00 0.00 -ATOM 8431 O1 H2O C2811 23.119 33.114 19.724 0.00 0.00 -ATOM 8432 H1 H2O C2811 22.614 32.407 20.220 0.00 0.00 -ATOM 8433 H2 H2O C2811 23.478 32.732 18.872 0.00 0.00 -ATOM 8434 O1 H2O C2812 45.070 56.047 58.144 0.00 0.00 -ATOM 8435 H1 H2O C2812 46.041 56.132 58.363 0.00 0.00 -ATOM 8436 H2 H2O C2812 44.735 55.157 58.454 0.00 0.00 -ATOM 8437 O1 H2O C2813 23.879 39.075 29.193 0.00 0.00 -ATOM 8438 H1 H2O C2813 22.954 39.441 29.296 0.00 0.00 -ATOM 8439 H2 H2O C2813 23.938 38.186 29.648 0.00 0.00 -ATOM 8440 O1 H2O C2814 9.953 41.201 20.684 0.00 0.00 -ATOM 8441 H1 H2O C2814 10.421 40.431 21.117 0.00 0.00 -ATOM 8442 H2 H2O C2814 10.334 42.059 21.028 0.00 0.00 -ATOM 8443 O1 H2O C2815 2.852 49.065 28.320 0.00 0.00 -ATOM 8444 H1 H2O C2815 3.681 49.088 28.878 0.00 0.00 -ATOM 8445 H2 H2O C2815 3.047 48.608 27.452 0.00 0.00 -ATOM 8446 O1 H2O C2816 54.271 6.647 1.910 0.00 0.00 -ATOM 8447 H1 H2O C2816 54.427 7.358 2.596 0.00 0.00 -ATOM 8448 H2 H2O C2816 54.164 5.763 2.366 0.00 0.00 -ATOM 8449 O1 H2O C2817 28.656 44.978 33.499 0.00 0.00 -ATOM 8450 H1 H2O C2817 28.925 45.821 33.032 0.00 0.00 -ATOM 8451 H2 H2O C2817 29.165 44.895 34.355 0.00 0.00 -ATOM 8452 O1 H2O C2818 53.969 33.661 50.500 0.00 0.00 -ATOM 8453 H1 H2O C2818 54.418 34.519 50.252 0.00 0.00 -ATOM 8454 H2 H2O C2818 54.013 33.025 49.730 0.00 0.00 -ATOM 8455 O1 H2O C2819 57.534 5.316 3.569 0.00 0.00 -ATOM 8456 H1 H2O C2819 58.277 5.746 3.056 0.00 0.00 -ATOM 8457 H2 H2O C2819 57.487 5.713 4.485 0.00 0.00 -ATOM 8458 O1 H2O C2820 29.894 57.091 44.291 0.00 0.00 -ATOM 8459 H1 H2O C2820 30.794 56.881 43.909 0.00 0.00 -ATOM 8460 H2 H2O C2820 29.219 56.448 43.928 0.00 0.00 -ATOM 8461 O1 H2O C2821 23.328 15.078 38.443 0.00 0.00 -ATOM 8462 H1 H2O C2821 23.674 16.016 38.486 0.00 0.00 -ATOM 8463 H2 H2O C2821 23.172 14.738 39.371 0.00 0.00 -ATOM 8464 O1 H2O C2822 33.371 40.865 24.805 0.00 0.00 -ATOM 8465 H1 H2O C2822 34.307 40.957 25.143 0.00 0.00 -ATOM 8466 H2 H2O C2822 32.786 40.511 25.535 0.00 0.00 -ATOM 8467 O1 H2O C2823 13.966 5.785 26.913 0.00 0.00 -ATOM 8468 H1 H2O C2823 13.969 4.945 26.370 0.00 0.00 -ATOM 8469 H2 H2O C2823 13.568 5.598 27.812 0.00 0.00 -ATOM 8470 O1 H2O C2824 25.994 45.723 7.158 0.00 0.00 -ATOM 8471 H1 H2O C2824 25.045 45.479 6.956 0.00 0.00 -ATOM 8472 H2 H2O C2824 26.169 45.601 8.135 0.00 0.00 -ATOM 8473 O1 H2O C2825 7.840 0.904 7.920 0.00 0.00 -ATOM 8474 H1 H2O C2825 8.789 1.219 7.903 0.00 0.00 -ATOM 8475 H2 H2O C2825 7.245 1.619 7.553 0.00 0.00 -ATOM 8476 O1 H2O C2826 57.638 54.451 8.317 0.00 0.00 -ATOM 8477 H1 H2O C2826 57.813 53.612 8.833 0.00 0.00 -ATOM 8478 H2 H2O C2826 57.164 54.226 7.466 0.00 0.00 -ATOM 8479 O1 H2O C2827 58.133 3.378 18.517 0.00 0.00 -ATOM 8480 H1 H2O C2827 58.179 3.044 17.576 0.00 0.00 -ATOM 8481 H2 H2O C2827 59.052 3.610 18.834 0.00 0.00 -ATOM 8482 O1 H2O C2828 47.590 10.324 52.006 0.00 0.00 -ATOM 8483 H1 H2O C2828 47.589 11.165 51.465 0.00 0.00 -ATOM 8484 H2 H2O C2828 46.943 9.672 51.609 0.00 0.00 -ATOM 8485 O1 H2O C2829 19.212 4.770 32.293 0.00 0.00 -ATOM 8486 H1 H2O C2829 18.868 3.911 31.914 0.00 0.00 -ATOM 8487 H2 H2O C2829 19.637 5.309 31.565 0.00 0.00 -ATOM 8488 O1 H2O C2830 42.875 36.920 27.940 0.00 0.00 -ATOM 8489 H1 H2O C2830 41.970 36.693 27.580 0.00 0.00 -ATOM 8490 H2 H2O C2830 42.776 37.453 28.780 0.00 0.00 -ATOM 8491 O1 H2O C2831 12.394 25.524 47.094 0.00 0.00 -ATOM 8492 H1 H2O C2831 13.214 26.031 47.362 0.00 0.00 -ATOM 8493 H2 H2O C2831 11.923 25.198 47.915 0.00 0.00 -ATOM 8494 O1 H2O C2832 50.683 53.676 41.344 0.00 0.00 -ATOM 8495 H1 H2O C2832 50.415 53.268 42.216 0.00 0.00 -ATOM 8496 H2 H2O C2832 50.994 52.958 40.721 0.00 0.00 -ATOM 8497 O1 H2O C2833 18.225 51.481 23.864 0.00 0.00 -ATOM 8498 H1 H2O C2833 17.437 50.867 23.847 0.00 0.00 -ATOM 8499 H2 H2O C2833 18.421 51.798 22.936 0.00 0.00 -ATOM 8500 O1 H2O C2834 39.860 24.442 58.552 0.00 0.00 -ATOM 8501 H1 H2O C2834 40.631 24.631 57.944 0.00 0.00 -ATOM 8502 H2 H2O C2834 39.508 25.302 58.921 0.00 0.00 -ATOM 8503 O1 H2O C2835 57.719 50.155 52.119 0.00 0.00 -ATOM 8504 H1 H2O C2835 57.978 51.061 52.456 0.00 0.00 -ATOM 8505 H2 H2O C2835 58.535 49.583 52.041 0.00 0.00 -ATOM 8506 O1 H2O C2836 52.529 49.546 51.479 0.00 0.00 -ATOM 8507 H1 H2O C2836 51.591 49.787 51.731 0.00 0.00 -ATOM 8508 H2 H2O C2836 52.658 49.694 50.497 0.00 0.00 -ATOM 8509 O1 H2O C2837 48.830 38.616 5.722 0.00 0.00 -ATOM 8510 H1 H2O C2837 48.417 39.527 5.756 0.00 0.00 -ATOM 8511 H2 H2O C2837 48.619 38.123 6.567 0.00 0.00 -ATOM 8512 O1 H2O C2838 48.609 35.984 39.757 0.00 0.00 -ATOM 8513 H1 H2O C2838 48.440 36.079 40.738 0.00 0.00 -ATOM 8514 H2 H2O C2838 48.939 36.854 39.391 0.00 0.00 -ATOM 8515 O1 H2O C2839 47.798 32.100 29.724 0.00 0.00 -ATOM 8516 H1 H2O C2839 48.745 31.936 29.999 0.00 0.00 -ATOM 8517 H2 H2O C2839 47.661 33.078 29.566 0.00 0.00 -ATOM 8518 O1 H2O C2840 17.653 28.048 9.101 0.00 0.00 -ATOM 8519 H1 H2O C2840 18.146 28.484 8.347 0.00 0.00 -ATOM 8520 H2 H2O C2840 17.147 27.258 8.755 0.00 0.00 -ATOM 8521 O1 H2O C2841 10.428 36.116 7.885 0.00 0.00 -ATOM 8522 H1 H2O C2841 11.110 36.823 8.075 0.00 0.00 -ATOM 8523 H2 H2O C2841 10.443 35.893 6.910 0.00 0.00 -ATOM 8524 O1 H2O C2842 23.510 30.242 9.212 0.00 0.00 -ATOM 8525 H1 H2O C2842 23.066 31.007 8.746 0.00 0.00 -ATOM 8526 H2 H2O C2842 24.285 30.582 9.745 0.00 0.00 -ATOM 8527 O1 H2O C2843 18.304 34.867 15.897 0.00 0.00 -ATOM 8528 H1 H2O C2843 17.938 34.622 14.999 0.00 0.00 -ATOM 8529 H2 H2O C2843 18.987 34.192 16.174 0.00 0.00 -ATOM 8530 O1 H2O C2844 54.387 18.691 11.374 0.00 0.00 -ATOM 8531 H1 H2O C2844 53.760 17.916 11.459 0.00 0.00 -ATOM 8532 H2 H2O C2844 54.922 18.596 10.535 0.00 0.00 -ATOM 8533 O1 H2O C2845 9.114 53.937 55.972 0.00 0.00 -ATOM 8534 H1 H2O C2845 8.892 53.325 56.732 0.00 0.00 -ATOM 8535 H2 H2O C2845 9.570 54.754 56.325 0.00 0.00 -ATOM 8536 O1 H2O C2846 13.072 16.837 31.841 0.00 0.00 -ATOM 8537 H1 H2O C2846 12.185 16.952 32.289 0.00 0.00 -ATOM 8538 H2 H2O C2846 12.996 17.098 30.879 0.00 0.00 -ATOM 8539 O1 H2O C2847 4.010 46.978 57.828 0.00 0.00 -ATOM 8540 H1 H2O C2847 3.981 46.910 58.825 0.00 0.00 -ATOM 8541 H2 H2O C2847 3.139 47.338 57.493 0.00 0.00 -ATOM 8542 O1 H2O C2848 15.519 3.239 43.459 0.00 0.00 -ATOM 8543 H1 H2O C2848 16.470 3.344 43.168 0.00 0.00 -ATOM 8544 H2 H2O C2848 15.451 2.481 44.109 0.00 0.00 -ATOM 8545 O1 H2O C2849 42.115 26.252 31.190 0.00 0.00 -ATOM 8546 H1 H2O C2849 41.672 26.149 32.082 0.00 0.00 -ATOM 8547 H2 H2O C2849 41.814 25.516 30.583 0.00 0.00 -ATOM 8548 O1 H2O C2850 41.968 22.720 10.594 0.00 0.00 -ATOM 8549 H1 H2O C2850 41.933 22.280 11.491 0.00 0.00 -ATOM 8550 H2 H2O C2850 42.881 22.605 10.201 0.00 0.00 -ATOM 8551 O1 H2O C2851 33.388 59.014 20.388 0.00 0.00 -ATOM 8552 H1 H2O C2851 33.099 59.438 19.530 0.00 0.00 -ATOM 8553 H2 H2O C2851 32.596 58.603 20.840 0.00 0.00 -ATOM 8554 O1 H2O C2852 24.616 26.736 56.284 0.00 0.00 -ATOM 8555 H1 H2O C2852 24.728 27.704 56.507 0.00 0.00 -ATOM 8556 H2 H2O C2852 24.355 26.232 57.108 0.00 0.00 -ATOM 8557 O1 H2O C2853 26.633 38.302 34.810 0.00 0.00 -ATOM 8558 H1 H2O C2853 27.055 37.935 35.640 0.00 0.00 -ATOM 8559 H2 H2O C2853 25.800 37.787 34.605 0.00 0.00 -ATOM 8560 O1 H2O C2854 28.398 16.857 10.507 0.00 0.00 -ATOM 8561 H1 H2O C2854 28.665 16.167 9.835 0.00 0.00 -ATOM 8562 H2 H2O C2854 27.543 16.582 10.946 0.00 0.00 -ATOM 8563 O1 H2O C2855 4.676 23.890 5.667 0.00 0.00 -ATOM 8564 H1 H2O C2855 5.466 23.362 5.980 0.00 0.00 -ATOM 8565 H2 H2O C2855 3.970 23.265 5.333 0.00 0.00 -ATOM 8566 O1 H2O C2856 21.274 58.579 1.405 0.00 0.00 -ATOM 8567 H1 H2O C2856 20.465 59.084 1.104 0.00 0.00 -ATOM 8568 H2 H2O C2856 21.936 58.534 0.657 0.00 0.00 -ATOM 8569 O1 H2O C2857 15.096 15.680 32.279 0.00 0.00 -ATOM 8570 H1 H2O C2857 14.253 15.209 32.022 0.00 0.00 -ATOM 8571 H2 H2O C2857 15.639 15.863 31.460 0.00 0.00 -ATOM 8572 O1 H2O C2858 35.004 1.887 12.063 0.00 0.00 -ATOM 8573 H1 H2O C2858 35.852 1.358 12.079 0.00 0.00 -ATOM 8574 H2 H2O C2858 34.787 2.198 12.988 0.00 0.00 -ATOM 8575 O1 H2O C2859 43.342 22.977 13.804 0.00 0.00 -ATOM 8576 H1 H2O C2859 44.122 23.077 13.185 0.00 0.00 -ATOM 8577 H2 H2O C2859 43.249 23.806 14.357 0.00 0.00 -ATOM 8578 O1 H2O C2860 27.605 54.416 36.930 0.00 0.00 -ATOM 8579 H1 H2O C2860 27.768 54.849 36.043 0.00 0.00 -ATOM 8580 H2 H2O C2860 27.393 55.119 37.609 0.00 0.00 -ATOM 8581 O1 H2O C2861 10.566 55.605 57.230 0.00 0.00 -ATOM 8582 H1 H2O C2861 9.657 55.892 57.532 0.00 0.00 -ATOM 8583 H2 H2O C2861 10.491 54.755 56.709 0.00 0.00 -ATOM 8584 O1 H2O C2862 12.004 15.148 23.102 0.00 0.00 -ATOM 8585 H1 H2O C2862 11.856 16.107 23.344 0.00 0.00 -ATOM 8586 H2 H2O C2862 11.555 14.953 22.229 0.00 0.00 -ATOM 8587 O1 H2O C2863 47.724 46.524 52.799 0.00 0.00 -ATOM 8588 H1 H2O C2863 47.063 47.273 52.754 0.00 0.00 -ATOM 8589 H2 H2O C2863 47.960 46.344 53.754 0.00 0.00 -ATOM 8590 O1 H2O C2864 5.057 33.355 44.256 0.00 0.00 -ATOM 8591 H1 H2O C2864 5.119 34.177 43.688 0.00 0.00 -ATOM 8592 H2 H2O C2864 5.928 32.863 44.224 0.00 0.00 -ATOM 8593 O1 H2O C2865 45.280 48.195 46.023 0.00 0.00 -ATOM 8594 H1 H2O C2865 44.496 48.094 46.636 0.00 0.00 -ATOM 8595 H2 H2O C2865 45.227 47.506 45.299 0.00 0.00 -ATOM 8596 O1 H2O C2866 55.466 47.237 58.210 0.00 0.00 -ATOM 8597 H1 H2O C2866 54.840 47.506 57.478 0.00 0.00 -ATOM 8598 H2 H2O C2866 55.021 46.562 58.798 0.00 0.00 -ATOM 8599 O1 H2O C2867 15.259 25.040 30.788 0.00 0.00 -ATOM 8600 H1 H2O C2867 16.142 24.984 31.255 0.00 0.00 -ATOM 8601 H2 H2O C2867 15.407 25.081 29.800 0.00 0.00 -ATOM 8602 O1 H2O C2868 40.771 38.224 30.017 0.00 0.00 -ATOM 8603 H1 H2O C2868 40.713 39.181 29.734 0.00 0.00 -ATOM 8604 H2 H2O C2868 41.702 37.889 29.875 0.00 0.00 -ATOM 8605 O1 H2O C2869 29.132 24.505 19.499 0.00 0.00 -ATOM 8606 H1 H2O C2869 30.002 24.034 19.646 0.00 0.00 -ATOM 8607 H2 H2O C2869 29.155 24.984 18.622 0.00 0.00 -ATOM 8608 O1 H2O C2870 34.527 23.815 1.411 0.00 0.00 -ATOM 8609 H1 H2O C2870 35.301 23.213 1.216 0.00 0.00 -ATOM 8610 H2 H2O C2870 34.828 24.560 2.008 0.00 0.00 -ATOM 8611 O1 H2O C2871 0.471 14.745 14.500 0.00 0.00 -ATOM 8612 H1 H2O C2871 -0.002 13.966 14.913 0.00 0.00 -ATOM 8613 H2 H2O C2871 0.001 15.591 14.754 0.00 0.00 -ATOM 8614 O1 H2O C2872 46.626 18.782 57.537 0.00 0.00 -ATOM 8615 H1 H2O C2872 46.157 19.591 57.892 0.00 0.00 -ATOM 8616 H2 H2O C2872 47.326 18.490 58.188 0.00 0.00 -ATOM 8617 O1 H2O C2873 3.860 1.011 1.107 0.00 0.00 -ATOM 8618 H1 H2O C2873 4.469 1.412 0.421 0.00 0.00 -ATOM 8619 H2 H2O C2873 3.029 0.678 0.659 0.00 0.00 -ATOM 8620 O1 H2O C2874 35.666 40.709 47.438 0.00 0.00 -ATOM 8621 H1 H2O C2874 36.185 39.915 47.755 0.00 0.00 -ATOM 8622 H2 H2O C2874 35.481 41.316 48.210 0.00 0.00 -ATOM 8623 O1 H2O C2875 55.635 32.912 38.359 0.00 0.00 -ATOM 8624 H1 H2O C2875 54.705 33.173 38.100 0.00 0.00 -ATOM 8625 H2 H2O C2875 56.282 33.586 38.004 0.00 0.00 -ATOM 8626 O1 H2O C2876 27.907 18.649 44.189 0.00 0.00 -ATOM 8627 H1 H2O C2876 28.830 19.001 44.346 0.00 0.00 -ATOM 8628 H2 H2O C2876 27.672 18.749 43.222 0.00 0.00 -ATOM 8629 O1 H2O C2877 50.856 12.157 23.144 0.00 0.00 -ATOM 8630 H1 H2O C2877 51.305 12.833 22.559 0.00 0.00 -ATOM 8631 H2 H2O C2877 51.224 12.224 24.071 0.00 0.00 -ATOM 8632 O1 H2O C2878 10.955 19.396 4.511 0.00 0.00 -ATOM 8633 H1 H2O C2878 10.365 19.864 3.852 0.00 0.00 -ATOM 8634 H2 H2O C2878 10.576 18.493 4.713 0.00 0.00 -ATOM 8635 O1 H2O C2879 59.128 45.903 41.520 0.00 0.00 -ATOM 8636 H1 H2O C2879 58.393 45.738 40.862 0.00 0.00 -ATOM 8637 H2 H2O C2879 58.740 46.004 42.436 0.00 0.00 -ATOM 8638 O1 H2O C2880 57.364 44.267 54.999 0.00 0.00 -ATOM 8639 H1 H2O C2880 57.963 44.855 55.543 0.00 0.00 -ATOM 8640 H2 H2O C2880 56.728 44.832 54.475 0.00 0.00 -ATOM 8641 O1 H2O C2881 32.111 57.470 28.648 0.00 0.00 -ATOM 8642 H1 H2O C2881 32.014 58.002 29.489 0.00 0.00 -ATOM 8643 H2 H2O C2881 31.348 56.827 28.572 0.00 0.00 -ATOM 8644 O1 H2O C2882 43.485 46.802 5.074 0.00 0.00 -ATOM 8645 H1 H2O C2882 44.456 46.571 5.139 0.00 0.00 -ATOM 8646 H2 H2O C2882 43.263 47.502 5.753 0.00 0.00 -ATOM 8647 O1 H2O C2883 13.097 39.752 8.307 0.00 0.00 -ATOM 8648 H1 H2O C2883 13.223 40.283 9.146 0.00 0.00 -ATOM 8649 H2 H2O C2883 13.925 39.223 8.121 0.00 0.00 -ATOM 8650 O1 H2O C2884 16.458 7.589 57.760 0.00 0.00 -ATOM 8651 H1 H2O C2884 15.514 7.309 57.583 0.00 0.00 -ATOM 8652 H2 H2O C2884 17.036 7.318 56.990 0.00 0.00 -ATOM 8653 O1 H2O C2885 4.517 54.640 40.015 0.00 0.00 -ATOM 8654 H1 H2O C2885 5.263 55.115 40.482 0.00 0.00 -ATOM 8655 H2 H2O C2885 4.836 53.745 39.704 0.00 0.00 -ATOM 8656 O1 H2O C2886 14.184 46.871 17.273 0.00 0.00 -ATOM 8657 H1 H2O C2886 14.143 45.965 16.850 0.00 0.00 -ATOM 8658 H2 H2O C2886 13.913 46.804 18.233 0.00 0.00 -ATOM 8659 O1 H2O C2887 9.277 25.202 58.056 0.00 0.00 -ATOM 8660 H1 H2O C2887 8.501 25.320 57.436 0.00 0.00 -ATOM 8661 H2 H2O C2887 9.285 24.265 58.405 0.00 0.00 -ATOM 8662 O1 H2O C2888 23.519 14.603 4.044 0.00 0.00 -ATOM 8663 H1 H2O C2888 24.474 14.377 4.235 0.00 0.00 -ATOM 8664 H2 H2O C2888 23.340 15.549 4.314 0.00 0.00 -ATOM 8665 O1 H2O C2889 55.714 13.118 56.069 0.00 0.00 -ATOM 8666 H1 H2O C2889 56.663 13.106 55.755 0.00 0.00 -ATOM 8667 H2 H2O C2889 55.606 12.475 56.827 0.00 0.00 -ATOM 8668 O1 H2O C2890 34.867 5.181 20.589 0.00 0.00 -ATOM 8669 H1 H2O C2890 35.824 5.306 20.851 0.00 0.00 -ATOM 8670 H2 H2O C2890 34.566 5.963 20.043 0.00 0.00 -ATOM 8671 O1 H2O C2891 42.023 8.323 11.134 0.00 0.00 -ATOM 8672 H1 H2O C2891 42.286 8.930 11.884 0.00 0.00 -ATOM 8673 H2 H2O C2891 42.235 7.377 11.381 0.00 0.00 -ATOM 8674 O1 H2O C2892 52.662 7.423 52.675 0.00 0.00 -ATOM 8675 H1 H2O C2892 52.842 8.371 52.939 0.00 0.00 -ATOM 8676 H2 H2O C2892 52.052 7.001 53.347 0.00 0.00 -ATOM 8677 O1 H2O C2893 28.298 60.220 9.297 0.00 0.00 -ATOM 8678 H1 H2O C2893 27.744 59.388 9.306 0.00 0.00 -ATOM 8679 H2 H2O C2893 28.870 60.230 8.476 0.00 0.00 -ATOM 8680 O1 H2O C2894 10.005 22.877 21.944 0.00 0.00 -ATOM 8681 H1 H2O C2894 10.792 22.344 22.256 0.00 0.00 -ATOM 8682 H2 H2O C2894 10.316 23.592 21.317 0.00 0.00 -ATOM 8683 O1 H2O C2895 39.047 11.203 32.689 0.00 0.00 -ATOM 8684 H1 H2O C2895 38.718 10.345 32.291 0.00 0.00 -ATOM 8685 H2 H2O C2895 38.557 11.382 33.543 0.00 0.00 -ATOM 8686 O1 H2O C2896 28.563 3.903 28.472 0.00 0.00 -ATOM 8687 H1 H2O C2896 28.205 4.673 27.944 0.00 0.00 -ATOM 8688 H2 H2O C2896 29.005 3.253 27.854 0.00 0.00 -ATOM 8689 O1 H2O C2897 59.277 14.812 25.398 0.00 0.00 -ATOM 8690 H1 H2O C2897 58.357 14.790 25.007 0.00 0.00 -ATOM 8691 H2 H2O C2897 59.928 15.110 24.699 0.00 0.00 -ATOM 8692 O1 H2O C2898 20.095 53.384 52.401 0.00 0.00 -ATOM 8693 H1 H2O C2898 20.553 52.498 52.478 0.00 0.00 -ATOM 8694 H2 H2O C2898 19.227 53.270 51.918 0.00 0.00 -ATOM 8695 O1 H2O C2899 22.590 17.639 49.925 0.00 0.00 -ATOM 8696 H1 H2O C2899 23.336 17.989 49.358 0.00 0.00 -ATOM 8697 H2 H2O C2899 21.961 17.108 49.357 0.00 0.00 -ATOM 8698 O1 H2O C2900 53.286 14.110 23.354 0.00 0.00 -ATOM 8699 H1 H2O C2900 53.204 14.575 22.472 0.00 0.00 -ATOM 8700 H2 H2O C2900 54.108 13.541 23.356 0.00 0.00 -ATOM 8701 O1 H2O C2901 2.166 49.754 29.942 0.00 0.00 -ATOM 8702 H1 H2O C2901 1.176 49.620 29.996 0.00 0.00 -ATOM 8703 H2 H2O C2901 2.394 50.203 29.078 0.00 0.00 -ATOM 8704 O1 H2O C2902 5.180 28.515 26.584 0.00 0.00 -ATOM 8705 H1 H2O C2902 5.561 29.425 26.422 0.00 0.00 -ATOM 8706 H2 H2O C2902 4.990 28.072 25.708 0.00 0.00 -ATOM 8707 O1 H2O C2903 46.107 43.767 19.993 0.00 0.00 -ATOM 8708 H1 H2O C2903 45.440 44.443 19.677 0.00 0.00 -ATOM 8709 H2 H2O C2903 46.385 43.190 19.224 0.00 0.00 -ATOM 8710 O1 H2O C2904 30.571 50.671 49.189 0.00 0.00 -ATOM 8711 H1 H2O C2904 30.128 50.125 48.477 0.00 0.00 -ATOM 8712 H2 H2O C2904 29.875 51.042 49.804 0.00 0.00 -ATOM 8713 O1 H2O C2905 14.314 22.180 57.487 0.00 0.00 -ATOM 8714 H1 H2O C2905 15.268 22.223 57.784 0.00 0.00 -ATOM 8715 H2 H2O C2905 14.268 22.290 56.494 0.00 0.00 -ATOM 8716 O1 H2O C2906 32.261 54.386 4.219 0.00 0.00 -ATOM 8717 H1 H2O C2906 31.766 53.993 4.994 0.00 0.00 -ATOM 8718 H2 H2O C2906 33.157 53.949 4.139 0.00 0.00 -ATOM 8719 O1 H2O C2907 14.648 46.411 36.247 0.00 0.00 -ATOM 8720 H1 H2O C2907 13.743 46.419 36.674 0.00 0.00 -ATOM 8721 H2 H2O C2907 14.579 46.022 35.328 0.00 0.00 -ATOM 8722 O1 H2O C2908 30.297 3.285 48.383 0.00 0.00 -ATOM 8723 H1 H2O C2908 30.392 4.086 47.792 0.00 0.00 -ATOM 8724 H2 H2O C2908 29.327 3.079 48.512 0.00 0.00 -ATOM 8725 O1 H2O C2909 55.382 36.481 54.737 0.00 0.00 -ATOM 8726 H1 H2O C2909 55.393 35.846 55.509 0.00 0.00 -ATOM 8727 H2 H2O C2909 55.969 36.131 54.008 0.00 0.00 -ATOM 8728 O1 H2O C2910 44.536 48.047 40.852 0.00 0.00 -ATOM 8729 H1 H2O C2910 44.745 47.227 41.385 0.00 0.00 -ATOM 8730 H2 H2O C2910 43.573 48.286 40.972 0.00 0.00 -ATOM 8731 O1 H2O C2911 29.553 28.356 20.238 0.00 0.00 -ATOM 8732 H1 H2O C2911 30.348 27.802 20.485 0.00 0.00 -ATOM 8733 H2 H2O C2911 29.725 29.311 20.478 0.00 0.00 -ATOM 8734 O1 H2O C2912 26.168 43.149 19.733 0.00 0.00 -ATOM 8735 H1 H2O C2912 25.292 43.127 20.214 0.00 0.00 -ATOM 8736 H2 H2O C2912 26.013 43.040 18.751 0.00 0.00 -ATOM 8737 O1 H2O C2913 12.646 51.981 18.272 0.00 0.00 -ATOM 8738 H1 H2O C2913 12.991 52.790 17.796 0.00 0.00 -ATOM 8739 H2 H2O C2913 11.863 51.609 17.774 0.00 0.00 -ATOM 8740 O1 H2O C2914 48.187 2.200 22.547 0.00 0.00 -ATOM 8741 H1 H2O C2914 47.402 2.720 22.209 0.00 0.00 -ATOM 8742 H2 H2O C2914 48.239 2.284 23.543 0.00 0.00 -ATOM 8743 O1 H2O C2915 45.500 1.026 30.951 0.00 0.00 -ATOM 8744 H1 H2O C2915 45.150 0.252 31.479 0.00 0.00 -ATOM 8745 H2 H2O C2915 45.128 1.878 31.323 0.00 0.00 -ATOM 8746 O1 H2O C2916 36.217 22.563 22.177 0.00 0.00 -ATOM 8747 H1 H2O C2916 35.452 22.385 21.557 0.00 0.00 -ATOM 8748 H2 H2O C2916 35.967 22.281 23.103 0.00 0.00 -ATOM 8749 O1 H2O C2917 42.272 5.403 30.027 0.00 0.00 -ATOM 8750 H1 H2O C2917 41.300 5.519 30.230 0.00 0.00 -ATOM 8751 H2 H2O C2917 42.812 5.986 30.634 0.00 0.00 -ATOM 8752 O1 H2O C2918 45.927 48.394 17.996 0.00 0.00 -ATOM 8753 H1 H2O C2918 45.172 48.678 18.587 0.00 0.00 -ATOM 8754 H2 H2O C2918 45.727 47.494 17.609 0.00 0.00 -ATOM 8755 O1 H2O C2919 25.961 8.279 56.995 0.00 0.00 -ATOM 8756 H1 H2O C2919 26.447 8.445 57.853 0.00 0.00 -ATOM 8757 H2 H2O C2919 25.019 8.607 57.078 0.00 0.00 -ATOM 8758 O1 H2O C2920 57.541 44.015 20.403 0.00 0.00 -ATOM 8759 H1 H2O C2920 56.641 43.636 20.184 0.00 0.00 -ATOM 8760 H2 H2O C2920 58.003 44.285 19.558 0.00 0.00 -ATOM 8761 O1 H2O C2921 45.181 59.029 43.114 0.00 0.00 -ATOM 8762 H1 H2O C2921 44.586 59.607 42.556 0.00 0.00 -ATOM 8763 H2 H2O C2921 44.642 58.594 43.836 0.00 0.00 -ATOM 8764 O1 H2O C2922 55.729 14.319 21.428 0.00 0.00 -ATOM 8765 H1 H2O C2922 54.888 14.750 21.098 0.00 0.00 -ATOM 8766 H2 H2O C2922 55.790 13.388 21.068 0.00 0.00 -ATOM 8767 O1 H2O C2923 14.650 8.446 26.020 0.00 0.00 -ATOM 8768 H1 H2O C2923 14.891 7.624 25.504 0.00 0.00 -ATOM 8769 H2 H2O C2923 13.663 8.461 26.181 0.00 0.00 -ATOM 8770 O1 H2O C2924 14.191 10.527 44.277 0.00 0.00 -ATOM 8771 H1 H2O C2924 14.805 11.245 43.949 0.00 0.00 -ATOM 8772 H2 H2O C2924 14.595 10.083 45.078 0.00 0.00 -ATOM 8773 O1 H2O C2925 51.004 21.576 11.441 0.00 0.00 -ATOM 8774 H1 H2O C2925 50.170 21.702 11.979 0.00 0.00 -ATOM 8775 H2 H2O C2925 51.374 20.663 11.608 0.00 0.00 -ATOM 8776 O1 H2O C2926 37.608 13.022 0.969 0.00 0.00 -ATOM 8777 H1 H2O C2926 38.551 12.911 1.283 0.00 0.00 -ATOM 8778 H2 H2O C2926 36.981 12.825 1.724 0.00 0.00 -ATOM 8779 O1 H2O C2927 30.140 35.053 11.162 0.00 0.00 -ATOM 8780 H1 H2O C2927 30.977 34.641 10.801 0.00 0.00 -ATOM 8781 H2 H2O C2927 30.002 35.949 10.738 0.00 0.00 -ATOM 8782 O1 H2O C2928 39.632 6.645 8.002 0.00 0.00 -ATOM 8783 H1 H2O C2928 39.199 5.966 7.409 0.00 0.00 -ATOM 8784 H2 H2O C2928 40.617 6.655 7.833 0.00 0.00 -ATOM 8785 O1 H2O C2929 55.830 45.361 1.353 0.00 0.00 -ATOM 8786 H1 H2O C2929 56.051 44.397 1.497 0.00 0.00 -ATOM 8787 H2 H2O C2929 55.040 45.434 0.744 0.00 0.00 -ATOM 8788 O1 H2O C2930 3.068 36.090 6.789 0.00 0.00 -ATOM 8789 H1 H2O C2930 2.574 36.663 7.443 0.00 0.00 -ATOM 8790 H2 H2O C2930 4.052 36.203 6.923 0.00 0.00 -ATOM 8791 O1 H2O C2931 20.766 32.338 42.569 0.00 0.00 -ATOM 8792 H1 H2O C2931 20.031 33.000 42.427 0.00 0.00 -ATOM 8793 H2 H2O C2931 21.577 32.809 42.917 0.00 0.00 -ATOM 8794 O1 H2O C2932 55.715 38.632 20.766 0.00 0.00 -ATOM 8795 H1 H2O C2932 56.656 38.909 20.965 0.00 0.00 -ATOM 8796 H2 H2O C2932 55.563 38.656 19.777 0.00 0.00 -ATOM 8797 O1 H2O C2933 34.926 57.622 7.301 0.00 0.00 -ATOM 8798 H1 H2O C2933 34.525 57.469 8.204 0.00 0.00 -ATOM 8799 H2 H2O C2933 34.358 58.266 6.789 0.00 0.00 -ATOM 8800 O1 H2O C2934 3.163 57.542 22.521 0.00 0.00 -ATOM 8801 H1 H2O C2934 2.691 56.885 21.933 0.00 0.00 -ATOM 8802 H2 H2O C2934 4.112 57.253 22.650 0.00 0.00 -ATOM 8803 O1 H2O C2935 58.692 29.821 14.790 0.00 0.00 -ATOM 8804 H1 H2O C2935 57.907 29.355 15.197 0.00 0.00 -ATOM 8805 H2 H2O C2935 58.932 30.617 15.346 0.00 0.00 -ATOM 8806 O1 H2O C2936 4.402 56.686 42.451 0.00 0.00 -ATOM 8807 H1 H2O C2936 4.480 55.732 42.160 0.00 0.00 -ATOM 8808 H2 H2O C2936 3.824 57.185 41.805 0.00 0.00 -ATOM 8809 O1 H2O C2937 0.647 41.128 52.845 0.00 0.00 -ATOM 8810 H1 H2O C2937 0.796 41.489 51.925 0.00 0.00 -ATOM 8811 H2 H2O C2937 -0.134 41.592 53.264 0.00 0.00 -ATOM 8812 O1 H2O C2938 49.915 53.403 2.998 0.00 0.00 -ATOM 8813 H1 H2O C2938 50.875 53.682 2.951 0.00 0.00 -ATOM 8814 H2 H2O C2938 49.552 53.613 3.906 0.00 0.00 -ATOM 8815 O1 H2O C2939 44.751 18.469 40.599 0.00 0.00 -ATOM 8816 H1 H2O C2939 45.140 17.770 40.000 0.00 0.00 -ATOM 8817 H2 H2O C2939 43.787 18.606 40.370 0.00 0.00 -ATOM 8818 O1 H2O C2940 35.587 29.872 47.104 0.00 0.00 -ATOM 8819 H1 H2O C2940 35.426 28.886 47.146 0.00 0.00 -ATOM 8820 H2 H2O C2940 35.982 30.108 46.217 0.00 0.00 -ATOM 8821 O1 H2O C2941 53.338 43.487 1.749 0.00 0.00 -ATOM 8822 H1 H2O C2941 54.252 43.085 1.811 0.00 0.00 -ATOM 8823 H2 H2O C2941 52.691 42.924 2.263 0.00 0.00 -ATOM 8824 O1 H2O C2942 49.867 34.560 45.703 0.00 0.00 -ATOM 8825 H1 H2O C2942 50.164 34.376 44.766 0.00 0.00 -ATOM 8826 H2 H2O C2942 50.084 33.774 46.282 0.00 0.00 -ATOM 8827 O1 H2O C2943 13.652 32.448 22.858 0.00 0.00 -ATOM 8828 H1 H2O C2943 13.445 33.260 22.313 0.00 0.00 -ATOM 8829 H2 H2O C2943 13.124 31.672 22.513 0.00 0.00 -ATOM 8830 O1 H2O C2944 2.296 35.810 4.003 0.00 0.00 -ATOM 8831 H1 H2O C2944 2.259 35.039 3.367 0.00 0.00 -ATOM 8832 H2 H2O C2944 3.139 35.758 4.540 0.00 0.00 -ATOM 8833 O1 H2O C2945 48.735 36.839 52.825 0.00 0.00 -ATOM 8834 H1 H2O C2945 47.803 36.500 52.949 0.00 0.00 -ATOM 8835 H2 H2O C2945 49.384 36.094 52.985 0.00 0.00 -ATOM 8836 O1 H2O C2946 51.119 14.573 9.835 0.00 0.00 -ATOM 8837 H1 H2O C2946 50.309 14.159 10.250 0.00 0.00 -ATOM 8838 H2 H2O C2946 51.100 15.562 9.983 0.00 0.00 -ATOM 8839 O1 H2O C2947 50.327 42.753 33.691 0.00 0.00 -ATOM 8840 H1 H2O C2947 50.370 42.124 34.468 0.00 0.00 -ATOM 8841 H2 H2O C2947 50.713 43.637 33.956 0.00 0.00 -ATOM 8842 O1 H2O C2948 35.313 18.970 52.614 0.00 0.00 -ATOM 8843 H1 H2O C2948 34.813 19.835 52.569 0.00 0.00 -ATOM 8844 H2 H2O C2948 35.751 18.792 51.733 0.00 0.00 -ATOM 8845 O1 H2O C2949 41.473 50.414 53.368 0.00 0.00 -ATOM 8846 H1 H2O C2949 41.723 49.465 53.172 0.00 0.00 -ATOM 8847 H2 H2O C2949 41.274 50.510 54.344 0.00 0.00 -ATOM 8848 O1 H2O C2950 48.409 52.101 56.351 0.00 0.00 -ATOM 8849 H1 H2O C2950 49.385 52.311 56.411 0.00 0.00 -ATOM 8850 H2 H2O C2950 48.062 51.864 57.259 0.00 0.00 -ATOM 8851 O1 H2O C2951 31.732 6.971 51.900 0.00 0.00 -ATOM 8852 H1 H2O C2951 31.479 7.728 52.501 0.00 0.00 -ATOM 8853 H2 H2O C2951 30.915 6.443 51.666 0.00 0.00 -ATOM 8854 O1 H2O C2952 1.349 0.469 11.151 0.00 0.00 -ATOM 8855 H1 H2O C2952 1.851 0.632 12.001 0.00 0.00 -ATOM 8856 H2 H2O C2952 0.406 0.212 11.365 0.00 0.00 -ATOM 8857 O1 H2O C2953 45.842 39.498 18.543 0.00 0.00 -ATOM 8858 H1 H2O C2953 44.982 39.971 18.351 0.00 0.00 -ATOM 8859 H2 H2O C2953 45.685 38.510 18.552 0.00 0.00 -ATOM 8860 O1 H2O C2954 19.045 38.136 43.332 0.00 0.00 -ATOM 8861 H1 H2O C2954 19.660 37.352 43.416 0.00 0.00 -ATOM 8862 H2 H2O C2954 18.116 37.858 43.574 0.00 0.00 -ATOM 8863 O1 H2O C2955 13.246 54.890 8.237 0.00 0.00 -ATOM 8864 H1 H2O C2955 14.150 55.315 8.187 0.00 0.00 -ATOM 8865 H2 H2O C2955 13.019 54.700 9.192 0.00 0.00 -ATOM 8866 O1 H2O C2956 10.316 32.586 58.920 0.00 0.00 -ATOM 8867 H1 H2O C2956 10.139 33.147 58.111 0.00 0.00 -ATOM 8868 H2 H2O C2956 11.256 32.730 59.226 0.00 0.00 -ATOM 8869 O1 H2O C2957 26.061 53.097 10.521 0.00 0.00 -ATOM 8870 H1 H2O C2957 25.929 53.015 9.533 0.00 0.00 -ATOM 8871 H2 H2O C2957 25.571 52.360 10.986 0.00 0.00 -ATOM 8872 O1 H2O C2958 49.247 31.250 33.129 0.00 0.00 -ATOM 8873 H1 H2O C2958 48.889 30.356 32.860 0.00 0.00 -ATOM 8874 H2 H2O C2958 49.550 31.746 32.315 0.00 0.00 -ATOM 8875 O1 H2O C2959 34.970 35.407 31.516 0.00 0.00 -ATOM 8876 H1 H2O C2959 34.653 35.986 32.268 0.00 0.00 -ATOM 8877 H2 H2O C2959 35.868 35.030 31.742 0.00 0.00 -ATOM 8878 O1 H2O C2960 54.525 23.064 28.930 0.00 0.00 -ATOM 8879 H1 H2O C2960 54.674 23.983 28.564 0.00 0.00 -ATOM 8880 H2 H2O C2960 53.586 22.778 28.737 0.00 0.00 -ATOM 8881 O1 H2O C2961 0.662 30.356 28.708 0.00 0.00 -ATOM 8882 H1 H2O C2961 0.220 31.088 28.188 0.00 0.00 -ATOM 8883 H2 H2O C2961 0.709 29.530 28.147 0.00 0.00 -ATOM 8884 O1 H2O C2962 1.523 7.077 18.859 0.00 0.00 -ATOM 8885 H1 H2O C2962 1.079 6.944 19.745 0.00 0.00 -ATOM 8886 H2 H2O C2962 1.248 7.961 18.479 0.00 0.00 -ATOM 8887 O1 H2O C2963 30.137 25.076 42.864 0.00 0.00 -ATOM 8888 H1 H2O C2963 29.260 25.440 43.180 0.00 0.00 -ATOM 8889 H2 H2O C2963 30.366 25.480 41.979 0.00 0.00 -ATOM 8890 O1 H2O C2964 27.778 23.789 16.347 0.00 0.00 -ATOM 8891 H1 H2O C2964 27.011 24.016 15.746 0.00 0.00 -ATOM 8892 H2 H2O C2964 27.627 22.889 16.755 0.00 0.00 -ATOM 8893 O1 H2O C2965 34.531 1.056 59.613 0.00 0.00 -ATOM 8894 H1 H2O C2965 34.150 0.137 59.513 0.00 0.00 -ATOM 8895 H2 H2O C2965 35.522 1.021 59.486 0.00 0.00 -ATOM 8896 O1 H2O C2966 20.810 5.460 10.421 0.00 0.00 -ATOM 8897 H1 H2O C2966 20.649 4.719 9.768 0.00 0.00 -ATOM 8898 H2 H2O C2966 20.983 6.310 9.923 0.00 0.00 -ATOM 8899 O1 H2O C2967 44.159 3.589 18.352 0.00 0.00 -ATOM 8900 H1 H2O C2967 43.954 4.259 19.067 0.00 0.00 -ATOM 8901 H2 H2O C2967 43.386 2.961 18.254 0.00 0.00 -ATOM 8902 O1 H2O C2968 26.824 17.448 47.031 0.00 0.00 -ATOM 8903 H1 H2O C2968 26.049 17.102 47.560 0.00 0.00 -ATOM 8904 H2 H2O C2968 26.525 17.664 46.102 0.00 0.00 -ATOM 8905 O1 H2O C2969 57.381 37.302 48.290 0.00 0.00 -ATOM 8906 H1 H2O C2969 58.359 37.145 48.426 0.00 0.00 -ATOM 8907 H2 H2O C2969 56.998 36.565 47.734 0.00 0.00 -ATOM 8908 O1 H2O C2970 17.039 57.950 30.576 0.00 0.00 -ATOM 8909 H1 H2O C2970 18.025 57.907 30.411 0.00 0.00 -ATOM 8910 H2 H2O C2970 16.559 58.038 29.702 0.00 0.00 -ATOM 8911 O1 H2O C2971 10.577 34.186 24.507 0.00 0.00 -ATOM 8912 H1 H2O C2971 9.583 34.065 24.517 0.00 0.00 -ATOM 8913 H2 H2O C2971 10.812 35.041 24.971 0.00 0.00 -ATOM 8914 O1 H2O C2972 28.608 48.019 40.077 0.00 0.00 -ATOM 8915 H1 H2O C2972 27.643 47.765 40.146 0.00 0.00 -ATOM 8916 H2 H2O C2972 29.177 47.244 40.351 0.00 0.00 -ATOM 8917 O1 H2O C2973 28.240 16.397 54.251 0.00 0.00 -ATOM 8918 H1 H2O C2973 28.246 15.409 54.101 0.00 0.00 -ATOM 8919 H2 H2O C2973 28.285 16.586 55.232 0.00 0.00 -ATOM 8920 O1 H2O C2974 42.670 46.712 0.835 0.00 0.00 -ATOM 8921 H1 H2O C2974 43.520 46.319 1.188 0.00 0.00 -ATOM 8922 H2 H2O C2974 42.871 47.572 0.366 0.00 0.00 -ATOM 8923 O1 H2O C2975 21.857 23.909 52.823 0.00 0.00 -ATOM 8924 H1 H2O C2975 20.891 24.141 52.711 0.00 0.00 -ATOM 8925 H2 H2O C2975 22.395 24.749 52.903 0.00 0.00 -ATOM 8926 O1 H2O C2976 19.192 23.682 33.220 0.00 0.00 -ATOM 8927 H1 H2O C2976 18.615 24.483 33.064 0.00 0.00 -ATOM 8928 H2 H2O C2976 19.056 23.349 34.153 0.00 0.00 -ATOM 8929 O1 H2O C2977 58.340 49.005 17.097 0.00 0.00 -ATOM 8930 H1 H2O C2977 58.185 48.668 18.025 0.00 0.00 -ATOM 8931 H2 H2O C2977 58.014 48.328 16.437 0.00 0.00 -ATOM 8932 O1 H2O C2978 13.374 19.120 31.739 0.00 0.00 -ATOM 8933 H1 H2O C2978 12.694 18.393 31.825 0.00 0.00 -ATOM 8934 H2 H2O C2978 14.181 18.768 31.264 0.00 0.00 -ATOM 8935 O1 H2O C2979 55.089 2.056 44.685 0.00 0.00 -ATOM 8936 H1 H2O C2979 54.269 1.648 44.282 0.00 0.00 -ATOM 8937 H2 H2O C2979 54.940 2.207 45.662 0.00 0.00 -ATOM 8938 O1 H2O C2980 31.916 9.058 8.294 0.00 0.00 -ATOM 8939 H1 H2O C2980 31.819 8.172 7.838 0.00 0.00 -ATOM 8940 H2 H2O C2980 32.505 8.956 9.096 0.00 0.00 -ATOM 8941 O1 H2O C2981 53.000 29.740 33.550 0.00 0.00 -ATOM 8942 H1 H2O C2981 53.137 30.680 33.235 0.00 0.00 -ATOM 8943 H2 H2O C2981 52.773 29.158 32.768 0.00 0.00 -ATOM 8944 O1 H2O C2982 57.196 57.972 29.420 0.00 0.00 -ATOM 8945 H1 H2O C2982 58.145 57.681 29.537 0.00 0.00 -ATOM 8946 H2 H2O C2982 57.029 58.793 29.966 0.00 0.00 -ATOM 8947 O1 H2O C2983 9.827 13.322 13.077 0.00 0.00 -ATOM 8948 H1 H2O C2983 9.859 14.239 13.475 0.00 0.00 -ATOM 8949 H2 H2O C2983 10.054 13.373 12.105 0.00 0.00 -ATOM 8950 O1 H2O C2984 5.603 51.110 45.484 0.00 0.00 -ATOM 8951 H1 H2O C2984 5.671 50.156 45.190 0.00 0.00 -ATOM 8952 H2 H2O C2984 5.042 51.619 44.831 0.00 0.00 -ATOM 8953 O1 H2O C2985 46.813 31.620 30.024 0.00 0.00 -ATOM 8954 H1 H2O C2985 46.015 31.635 29.420 0.00 0.00 -ATOM 8955 H2 H2O C2985 47.195 30.695 30.047 0.00 0.00 -ATOM 8956 O1 H2O C2986 35.454 2.302 54.132 0.00 0.00 -ATOM 8957 H1 H2O C2986 36.158 1.795 54.632 0.00 0.00 -ATOM 8958 H2 H2O C2986 35.616 2.213 53.148 0.00 0.00 -ATOM 8959 O1 H2O C2987 39.038 31.984 19.566 0.00 0.00 -ATOM 8960 H1 H2O C2987 38.674 31.861 20.489 0.00 0.00 -ATOM 8961 H2 H2O C2987 40.035 31.911 19.590 0.00 0.00 -ATOM 8962 O1 H2O C2988 29.111 5.468 30.775 0.00 0.00 -ATOM 8963 H1 H2O C2988 29.705 5.622 31.565 0.00 0.00 -ATOM 8964 H2 H2O C2988 29.025 4.486 30.610 0.00 0.00 -ATOM 8965 O1 H2O C2989 31.545 58.043 53.400 0.00 0.00 -ATOM 8966 H1 H2O C2989 31.796 57.498 52.600 0.00 0.00 -ATOM 8967 H2 H2O C2989 32.338 58.134 54.004 0.00 0.00 -ATOM 8968 O1 H2O C2990 37.495 42.682 37.152 0.00 0.00 -ATOM 8969 H1 H2O C2990 37.574 42.847 38.135 0.00 0.00 -ATOM 8970 H2 H2O C2990 38.118 41.946 36.886 0.00 0.00 -ATOM 8971 O1 H2O C2991 48.793 10.151 17.928 0.00 0.00 -ATOM 8972 H1 H2O C2991 49.662 10.293 18.403 0.00 0.00 -ATOM 8973 H2 H2O C2991 48.352 11.034 17.770 0.00 0.00 -ATOM 8974 O1 H2O C2992 30.778 38.958 3.639 0.00 0.00 -ATOM 8975 H1 H2O C2992 31.652 38.470 3.655 0.00 0.00 -ATOM 8976 H2 H2O C2992 30.592 39.336 4.546 0.00 0.00 -ATOM 8977 O1 H2O C2993 22.779 0.157 24.157 0.00 0.00 -ATOM 8978 H1 H2O C2993 21.810 0.345 24.319 0.00 0.00 -ATOM 8979 H2 H2O C2993 23.333 0.883 24.565 0.00 0.00 -ATOM 8980 O1 H2O C2994 21.687 23.601 26.572 0.00 0.00 -ATOM 8981 H1 H2O C2994 20.814 23.768 26.113 0.00 0.00 -ATOM 8982 H2 H2O C2994 21.524 23.431 27.544 0.00 0.00 -ATOM 8983 O1 H2O C2995 36.267 50.936 42.284 0.00 0.00 -ATOM 8984 H1 H2O C2995 35.913 51.827 42.574 0.00 0.00 -ATOM 8985 H2 H2O C2995 35.937 50.228 42.909 0.00 0.00 -ATOM 8986 O1 H2O C2996 37.063 19.811 15.202 0.00 0.00 -ATOM 8987 H1 H2O C2996 37.791 19.292 14.755 0.00 0.00 -ATOM 8988 H2 H2O C2996 36.414 20.136 14.513 0.00 0.00 -ATOM 8989 O1 H2O C2997 51.435 43.813 35.737 0.00 0.00 -ATOM 8990 H1 H2O C2997 51.258 43.221 34.951 0.00 0.00 -ATOM 8991 H2 H2O C2997 51.784 44.694 35.418 0.00 0.00 -ATOM 8992 O1 H2O C2998 5.441 37.069 31.788 0.00 0.00 -ATOM 8993 H1 H2O C2998 5.039 36.156 31.850 0.00 0.00 -ATOM 8994 H2 H2O C2998 6.296 37.093 32.306 0.00 0.00 -ATOM 8995 O1 H2O C2999 36.540 40.165 52.060 0.00 0.00 -ATOM 8996 H1 H2O C2999 35.911 40.920 51.878 0.00 0.00 -ATOM 8997 H2 H2O C2999 36.032 39.304 52.080 0.00 0.00 -ATOM 8998 O1 H2O C3000 19.759 18.147 30.026 0.00 0.00 -ATOM 8999 H1 H2O C3000 19.834 18.841 29.310 0.00 0.00 -ATOM 9000 H2 H2O C3000 20.655 18.002 30.446 0.00 0.00 -ATOM 9001 O1 H2O C3001 58.606 32.086 20.834 0.00 0.00 -ATOM 9002 H1 H2O C3001 58.707 32.373 21.787 0.00 0.00 -ATOM 9003 H2 H2O C3001 58.209 32.834 20.302 0.00 0.00 -ATOM 9004 O1 H2O C3002 13.360 33.632 11.889 0.00 0.00 -ATOM 9005 H1 H2O C3002 12.420 33.347 12.079 0.00 0.00 -ATOM 9006 H2 H2O C3002 13.584 34.433 12.445 0.00 0.00 -ATOM 9007 O1 H2O C3003 45.093 17.367 24.400 0.00 0.00 -ATOM 9008 H1 H2O C3003 44.241 17.713 24.792 0.00 0.00 -ATOM 9009 H2 H2O C3003 45.628 16.913 25.112 0.00 0.00 -ATOM 9010 O1 H2O C3004 36.213 45.000 35.835 0.00 0.00 -ATOM 9011 H1 H2O C3004 35.990 45.067 34.863 0.00 0.00 -ATOM 9012 H2 H2O C3004 35.710 44.235 36.240 0.00 0.00 -ATOM 9013 O1 H2O C3005 51.961 11.807 27.369 0.00 0.00 -ATOM 9014 H1 H2O C3005 52.356 11.213 28.069 0.00 0.00 -ATOM 9015 H2 H2O C3005 52.694 12.219 26.828 0.00 0.00 -ATOM 9016 O1 H2O C3006 53.130 24.885 35.352 0.00 0.00 -ATOM 9017 H1 H2O C3006 52.182 24.639 35.147 0.00 0.00 -ATOM 9018 H2 H2O C3006 53.353 24.598 36.285 0.00 0.00 -ATOM 9019 O1 H2O C3007 9.114 51.874 7.738 0.00 0.00 -ATOM 9020 H1 H2O C3007 8.838 50.920 7.858 0.00 0.00 -ATOM 9021 H2 H2O C3007 9.119 52.098 6.762 0.00 0.00 -ATOM 9022 O1 H2O C3008 53.175 34.219 12.530 0.00 0.00 -ATOM 9023 H1 H2O C3008 53.362 34.803 13.321 0.00 0.00 -ATOM 9024 H2 H2O C3008 52.964 33.292 12.843 0.00 0.00 -ATOM 9025 O1 H2O C3009 1.087 22.013 15.144 0.00 0.00 -ATOM 9026 H1 H2O C3009 0.206 21.748 14.752 0.00 0.00 -ATOM 9027 H2 H2O C3009 1.512 22.710 14.567 0.00 0.00 -ATOM 9028 O1 H2O C3010 35.568 19.898 34.212 0.00 0.00 -ATOM 9029 H1 H2O C3010 34.581 20.012 34.327 0.00 0.00 -ATOM 9030 H2 H2O C3010 35.750 19.049 33.717 0.00 0.00 -ATOM 9031 O1 H2O C3011 54.887 8.126 15.749 0.00 0.00 -ATOM 9032 H1 H2O C3011 54.575 8.459 16.639 0.00 0.00 -ATOM 9033 H2 H2O C3011 55.368 7.257 15.867 0.00 0.00 -ATOM 9034 O1 H2O C3012 28.648 48.773 39.917 0.00 0.00 -ATOM 9035 H1 H2O C3012 28.415 49.308 39.105 0.00 0.00 -ATOM 9036 H2 H2O C3012 27.879 48.182 40.159 0.00 0.00 -ATOM 9037 O1 H2O C3013 28.979 45.444 8.784 0.00 0.00 -ATOM 9038 H1 H2O C3013 28.221 45.018 9.278 0.00 0.00 -ATOM 9039 H2 H2O C3013 29.834 44.986 9.027 0.00 0.00 -ATOM 9040 O1 H2O C3014 55.962 7.071 0.050 0.00 0.00 -ATOM 9041 H1 H2O C3014 55.583 6.147 0.097 0.00 0.00 -ATOM 9042 H2 H2O C3014 55.777 7.551 0.907 0.00 0.00 -ATOM 9043 O1 H2O C3015 10.792 36.333 55.070 0.00 0.00 -ATOM 9044 H1 H2O C3015 11.355 37.159 55.059 0.00 0.00 -ATOM 9045 H2 H2O C3015 10.450 36.175 55.996 0.00 0.00 -ATOM 9046 O1 H2O C3016 57.439 5.630 54.897 0.00 0.00 -ATOM 9047 H1 H2O C3016 56.572 5.161 54.727 0.00 0.00 -ATOM 9048 H2 H2O C3016 57.657 5.581 55.873 0.00 0.00 -ATOM 9049 O1 H2O C3017 48.588 36.150 51.168 0.00 0.00 -ATOM 9050 H1 H2O C3017 47.643 36.200 50.845 0.00 0.00 -ATOM 9051 H2 H2O C3017 49.199 36.011 50.388 0.00 0.00 -ATOM 9052 O1 H2O C3018 56.581 36.675 32.650 0.00 0.00 -ATOM 9053 H1 H2O C3018 56.936 35.832 32.245 0.00 0.00 -ATOM 9054 H2 H2O C3018 55.918 37.090 32.026 0.00 0.00 -ATOM 9055 O1 H2O C3019 56.821 20.759 51.713 0.00 0.00 -ATOM 9056 H1 H2O C3019 57.655 21.255 51.467 0.00 0.00 -ATOM 9057 H2 H2O C3019 56.035 21.190 51.271 0.00 0.00 -ATOM 9058 O1 H2O C3020 3.500 0.780 3.114 0.00 0.00 -ATOM 9059 H1 H2O C3020 4.189 1.494 2.991 0.00 0.00 -ATOM 9060 H2 H2O C3020 2.620 1.200 3.336 0.00 0.00 -ATOM 9061 O1 H2O C3021 13.687 48.720 39.315 0.00 0.00 -ATOM 9062 H1 H2O C3021 13.341 49.600 39.640 0.00 0.00 -ATOM 9063 H2 H2O C3021 13.311 48.528 38.409 0.00 0.00 -ATOM 9064 O1 H2O C3022 33.088 23.562 46.477 0.00 0.00 -ATOM 9065 H1 H2O C3022 32.303 24.155 46.662 0.00 0.00 -ATOM 9066 H2 H2O C3022 32.926 22.661 46.882 0.00 0.00 -ATOM 9067 O1 H2O C3023 53.820 46.065 19.302 0.00 0.00 -ATOM 9068 H1 H2O C3023 54.040 45.586 18.453 0.00 0.00 -ATOM 9069 H2 H2O C3023 54.662 46.412 19.717 0.00 0.00 -ATOM 9070 O1 H2O C3024 13.879 9.559 52.556 0.00 0.00 -ATOM 9071 H1 H2O C3024 12.916 9.298 52.635 0.00 0.00 -ATOM 9072 H2 H2O C3024 13.942 10.540 52.369 0.00 0.00 -ATOM 9073 O1 H2O C3025 2.952 20.062 38.949 0.00 0.00 -ATOM 9074 H1 H2O C3025 3.832 20.448 39.226 0.00 0.00 -ATOM 9075 H2 H2O C3025 2.829 20.185 37.965 0.00 0.00 -ATOM 9076 O1 H2O C3026 34.558 38.256 47.614 0.00 0.00 -ATOM 9077 H1 H2O C3026 33.670 38.716 47.648 0.00 0.00 -ATOM 9078 H2 H2O C3026 34.609 37.692 46.790 0.00 0.00 -ATOM 9079 O1 H2O C3027 20.385 43.796 52.698 0.00 0.00 -ATOM 9080 H1 H2O C3027 21.225 44.243 52.387 0.00 0.00 -ATOM 9081 H2 H2O C3027 20.190 44.074 53.639 0.00 0.00 -ATOM 9082 O1 H2O C3028 54.703 7.016 39.659 0.00 0.00 -ATOM 9083 H1 H2O C3028 53.946 7.663 39.570 0.00 0.00 -ATOM 9084 H2 H2O C3028 54.369 6.088 39.496 0.00 0.00 -ATOM 9085 O1 H2O C3029 53.279 39.644 10.519 0.00 0.00 -ATOM 9086 H1 H2O C3029 53.950 38.916 10.378 0.00 0.00 -ATOM 9087 H2 H2O C3029 52.431 39.413 10.042 0.00 0.00 -ATOM 9088 O1 H2O C3030 53.459 48.158 0.662 0.00 0.00 -ATOM 9089 H1 H2O C3030 53.093 47.407 0.112 0.00 0.00 -ATOM 9090 H2 H2O C3030 54.427 47.992 0.850 0.00 0.00 -ATOM 9091 O1 H2O C3031 22.603 1.260 16.249 0.00 0.00 -ATOM 9092 H1 H2O C3031 23.550 1.574 16.328 0.00 0.00 -ATOM 9093 H2 H2O C3031 22.160 1.310 17.145 0.00 0.00 -ATOM 9094 O1 H2O C3032 5.320 56.885 52.481 0.00 0.00 -ATOM 9095 H1 H2O C3032 4.716 57.403 53.087 0.00 0.00 -ATOM 9096 H2 H2O C3032 5.328 57.312 51.576 0.00 0.00 -ATOM 9097 O1 H2O C3033 53.184 48.571 4.212 0.00 0.00 -ATOM 9098 H1 H2O C3033 52.407 47.944 4.158 0.00 0.00 -ATOM 9099 H2 H2O C3033 53.249 49.095 3.364 0.00 0.00 -ATOM 9100 O1 H2O C3034 38.541 33.083 32.956 0.00 0.00 -ATOM 9101 H1 H2O C3034 39.222 32.402 33.225 0.00 0.00 -ATOM 9102 H2 H2O C3034 38.957 33.742 32.328 0.00 0.00 -ATOM 9103 O1 H2O C3035 35.004 6.589 14.797 0.00 0.00 -ATOM 9104 H1 H2O C3035 34.282 7.069 15.296 0.00 0.00 -ATOM 9105 H2 H2O C3035 35.770 6.407 15.414 0.00 0.00 -ATOM 9106 O1 H2O C3036 5.359 18.701 45.090 0.00 0.00 -ATOM 9107 H1 H2O C3036 6.169 19.122 44.681 0.00 0.00 -ATOM 9108 H2 H2O C3036 5.349 18.886 46.073 0.00 0.00 -ATOM 9109 O1 H2O C3037 22.507 24.172 44.582 0.00 0.00 -ATOM 9110 H1 H2O C3037 21.848 23.454 44.805 0.00 0.00 -ATOM 9111 H2 H2O C3037 22.244 25.021 45.040 0.00 0.00 -ATOM 9112 O1 H2O C3038 13.824 20.682 28.892 0.00 0.00 -ATOM 9113 H1 H2O C3038 13.806 20.569 29.886 0.00 0.00 -ATOM 9114 H2 H2O C3038 13.012 21.187 28.599 0.00 0.00 -ATOM 9115 O1 H2O C3039 42.640 42.146 11.109 0.00 0.00 -ATOM 9116 H1 H2O C3039 42.341 41.776 11.989 0.00 0.00 -ATOM 9117 H2 H2O C3039 41.985 41.888 10.399 0.00 0.00 -ATOM 9118 O1 H2O C3040 45.193 5.429 46.672 0.00 0.00 -ATOM 9119 H1 H2O C3040 44.851 5.332 45.737 0.00 0.00 -ATOM 9120 H2 H2O C3040 44.837 4.685 47.236 0.00 0.00 -ATOM 9121 O1 H2O C3041 58.788 41.931 5.346 0.00 0.00 -ATOM 9122 H1 H2O C3041 58.794 42.919 5.194 0.00 0.00 -ATOM 9123 H2 H2O C3041 59.384 41.488 4.676 0.00 0.00 -ATOM 9124 O1 H2O C3042 30.603 27.388 1.431 0.00 0.00 -ATOM 9125 H1 H2O C3042 31.497 27.003 1.204 0.00 0.00 -ATOM 9126 H2 H2O C3042 30.418 27.251 2.404 0.00 0.00 -ATOM 9127 O1 H2O C3043 50.835 23.132 27.766 0.00 0.00 -ATOM 9128 H1 H2O C3043 51.002 22.870 28.716 0.00 0.00 -ATOM 9129 H2 H2O C3043 49.947 22.778 27.473 0.00 0.00 -ATOM 9130 O1 H2O C3044 12.880 16.532 1.916 0.00 0.00 -ATOM 9131 H1 H2O C3044 12.592 16.572 2.873 0.00 0.00 -ATOM 9132 H2 H2O C3044 13.604 15.850 1.814 0.00 0.00 -ATOM 9133 O1 H2O C3045 53.451 20.484 4.800 0.00 0.00 -ATOM 9134 H1 H2O C3045 52.729 21.172 4.725 0.00 0.00 -ATOM 9135 H2 H2O C3045 54.272 20.903 5.186 0.00 0.00 -ATOM 9136 O1 H2O C3046 45.210 22.976 19.106 0.00 0.00 -ATOM 9137 H1 H2O C3046 44.943 22.299 18.421 0.00 0.00 -ATOM 9138 H2 H2O C3046 44.848 22.707 19.999 0.00 0.00 -ATOM 9139 O1 H2O C3047 38.377 50.716 22.672 0.00 0.00 -ATOM 9140 H1 H2O C3047 38.729 49.788 22.801 0.00 0.00 -ATOM 9141 H2 H2O C3047 37.610 50.694 22.029 0.00 0.00 -ATOM 9142 O1 H2O C3048 44.472 15.403 1.602 0.00 0.00 -ATOM 9143 H1 H2O C3048 43.782 16.114 1.467 0.00 0.00 -ATOM 9144 H2 H2O C3048 44.066 14.634 2.096 0.00 0.00 -ATOM 9145 O1 H2O C3049 15.350 39.705 54.502 0.00 0.00 -ATOM 9146 H1 H2O C3049 15.682 39.929 55.419 0.00 0.00 -ATOM 9147 H2 H2O C3049 15.944 40.131 53.819 0.00 0.00 -ATOM 9148 O1 H2O C3050 58.569 42.335 6.586 0.00 0.00 -ATOM 9149 H1 H2O C3050 59.374 42.804 6.223 0.00 0.00 -ATOM 9150 H2 H2O C3050 58.403 42.637 7.525 0.00 0.00 -ATOM 9151 O1 H2O C3051 57.213 54.553 35.709 0.00 0.00 -ATOM 9152 H1 H2O C3051 56.826 54.107 36.517 0.00 0.00 -ATOM 9153 H2 H2O C3051 57.758 55.342 35.993 0.00 0.00 -ATOM 9154 O1 H2O C3052 16.559 34.620 52.612 0.00 0.00 -ATOM 9155 H1 H2O C3052 16.301 35.305 53.294 0.00 0.00 -ATOM 9156 H2 H2O C3052 17.167 33.946 53.029 0.00 0.00 -ATOM 9157 O1 H2O C3053 21.496 43.531 40.098 0.00 0.00 -ATOM 9158 H1 H2O C3053 21.032 44.241 39.569 0.00 0.00 -ATOM 9159 H2 H2O C3053 21.017 43.393 40.965 0.00 0.00 -ATOM 9160 O1 H2O C3054 17.413 26.388 32.338 0.00 0.00 -ATOM 9161 H1 H2O C3054 17.538 25.403 32.464 0.00 0.00 -ATOM 9162 H2 H2O C3054 16.540 26.556 31.879 0.00 0.00 -ATOM 9163 O1 H2O C3055 49.437 42.344 11.672 0.00 0.00 -ATOM 9164 H1 H2O C3055 49.685 43.018 12.368 0.00 0.00 -ATOM 9165 H2 H2O C3055 48.482 42.477 11.406 0.00 0.00 -ATOM 9166 O1 H2O C3056 23.919 35.714 46.192 0.00 0.00 -ATOM 9167 H1 H2O C3056 23.766 34.876 46.717 0.00 0.00 -ATOM 9168 H2 H2O C3056 24.013 35.488 45.223 0.00 0.00 -ATOM 9169 O1 H2O C3057 58.144 54.194 33.364 0.00 0.00 -ATOM 9170 H1 H2O C3057 57.911 54.877 32.673 0.00 0.00 -ATOM 9171 H2 H2O C3057 59.117 54.264 33.587 0.00 0.00 -ATOM 9172 O1 H2O C3058 28.953 15.123 11.404 0.00 0.00 -ATOM 9173 H1 H2O C3058 28.251 15.828 11.504 0.00 0.00 -ATOM 9174 H2 H2O C3058 28.804 14.405 12.084 0.00 0.00 -ATOM 9175 O1 H2O C3059 25.044 8.511 32.716 0.00 0.00 -ATOM 9176 H1 H2O C3059 25.942 8.123 32.920 0.00 0.00 -ATOM 9177 H2 H2O C3059 25.158 9.368 32.213 0.00 0.00 -ATOM 9178 O1 H2O C3060 28.691 58.583 23.833 0.00 0.00 -ATOM 9179 H1 H2O C3060 28.188 58.655 24.694 0.00 0.00 -ATOM 9180 H2 H2O C3060 29.603 58.212 24.010 0.00 0.00 -ATOM 9181 O1 H2O C3061 21.448 32.665 44.157 0.00 0.00 -ATOM 9182 H1 H2O C3061 21.430 33.274 44.950 0.00 0.00 -ATOM 9183 H2 H2O C3061 20.567 32.199 44.074 0.00 0.00 -ATOM 9184 O1 H2O C3062 39.812 10.797 35.589 0.00 0.00 -ATOM 9185 H1 H2O C3062 39.052 11.284 36.020 0.00 0.00 -ATOM 9186 H2 H2O C3062 39.913 11.106 34.644 0.00 0.00 -ATOM 9187 O1 H2O C3063 19.795 4.492 32.432 0.00 0.00 -ATOM 9188 H1 H2O C3063 20.037 3.723 33.023 0.00 0.00 -ATOM 9189 H2 H2O C3063 18.864 4.792 32.638 0.00 0.00 -ATOM 9190 O1 H2O C3064 2.386 28.811 18.975 0.00 0.00 -ATOM 9191 H1 H2O C3064 3.100 28.408 18.401 0.00 0.00 -ATOM 9192 H2 H2O C3064 1.488 28.558 18.615 0.00 0.00 -ATOM 9193 O1 H2O C3065 24.445 38.906 17.309 0.00 0.00 -ATOM 9194 H1 H2O C3065 23.956 38.251 17.885 0.00 0.00 -ATOM 9195 H2 H2O C3065 25.244 38.462 16.903 0.00 0.00 -ATOM 9196 O1 H2O C3066 17.300 32.727 48.165 0.00 0.00 -ATOM 9197 H1 H2O C3066 17.045 32.026 48.831 0.00 0.00 -ATOM 9198 H2 H2O C3066 17.370 33.613 48.624 0.00 0.00 -ATOM 9199 O1 H2O C3067 58.796 4.955 11.348 0.00 0.00 -ATOM 9200 H1 H2O C3067 59.394 5.420 10.696 0.00 0.00 -ATOM 9201 H2 H2O C3067 59.051 5.216 12.279 0.00 0.00 -ATOM 9202 O1 H2O C3068 57.945 31.559 20.024 0.00 0.00 -ATOM 9203 H1 H2O C3068 58.438 31.012 19.348 0.00 0.00 -ATOM 9204 H2 H2O C3068 57.307 32.171 19.557 0.00 0.00 -ATOM 9205 O1 H2O C3069 14.398 24.550 46.051 0.00 0.00 -ATOM 9206 H1 H2O C3069 13.482 24.736 46.407 0.00 0.00 -ATOM 9207 H2 H2O C3069 15.041 24.472 46.813 0.00 0.00 -ATOM 9208 O1 H2O C3070 9.749 36.262 13.026 0.00 0.00 -ATOM 9209 H1 H2O C3070 10.534 35.642 13.017 0.00 0.00 -ATOM 9210 H2 H2O C3070 9.090 35.954 13.712 0.00 0.00 -ATOM 9211 O1 H2O C3071 47.284 1.609 50.539 0.00 0.00 -ATOM 9212 H1 H2O C3071 47.195 2.583 50.328 0.00 0.00 -ATOM 9213 H2 H2O C3071 47.237 1.477 51.529 0.00 0.00 -ATOM 9214 O1 H2O C3072 26.996 38.932 6.330 0.00 0.00 -ATOM 9215 H1 H2O C3072 27.844 38.412 6.433 0.00 0.00 -ATOM 9216 H2 H2O C3072 26.548 39.017 7.220 0.00 0.00 -ATOM 9217 O1 H2O C3073 45.323 36.223 1.986 0.00 0.00 -ATOM 9218 H1 H2O C3073 45.021 36.690 1.155 0.00 0.00 -ATOM 9219 H2 H2O C3073 45.455 35.250 1.793 0.00 0.00 -ATOM 9220 O1 H2O C3074 50.734 33.499 11.288 0.00 0.00 -ATOM 9221 H1 H2O C3074 51.123 32.614 11.030 0.00 0.00 -ATOM 9222 H2 H2O C3074 49.960 33.709 10.689 0.00 0.00 -ATOM 9223 O1 H2O C3075 56.802 14.290 22.068 0.00 0.00 -ATOM 9224 H1 H2O C3075 56.313 15.161 22.122 0.00 0.00 -ATOM 9225 H2 H2O C3075 57.108 14.138 21.128 0.00 0.00 -ATOM 9226 O1 H2O C3076 28.181 36.537 55.771 0.00 0.00 -ATOM 9227 H1 H2O C3076 28.247 36.844 54.821 0.00 0.00 -ATOM 9228 H2 H2O C3076 27.244 36.667 56.098 0.00 0.00 -ATOM 9229 O1 H2O C3077 16.778 9.505 9.253 0.00 0.00 -ATOM 9230 H1 H2O C3077 16.541 8.787 9.907 0.00 0.00 -ATOM 9231 H2 H2O C3077 16.493 10.393 9.616 0.00 0.00 -ATOM 9232 O1 H2O C3078 41.389 11.612 55.995 0.00 0.00 -ATOM 9233 H1 H2O C3078 41.269 11.333 56.948 0.00 0.00 -ATOM 9234 H2 H2O C3078 41.364 12.610 55.934 0.00 0.00 -ATOM 9235 O1 H2O C3079 3.666 17.441 32.825 0.00 0.00 -ATOM 9236 H1 H2O C3079 2.697 17.360 32.592 0.00 0.00 -ATOM 9237 H2 H2O C3079 3.975 16.596 33.263 0.00 0.00 -ATOM 9238 O1 H2O C3080 13.854 30.348 25.634 0.00 0.00 -ATOM 9239 H1 H2O C3080 14.600 30.950 25.918 0.00 0.00 -ATOM 9240 H2 H2O C3080 13.720 30.427 24.646 0.00 0.00 -ATOM 9241 O1 H2O C3081 15.030 6.154 20.536 0.00 0.00 -ATOM 9242 H1 H2O C3081 14.663 7.024 20.865 0.00 0.00 -ATOM 9243 H2 H2O C3081 15.846 6.323 19.983 0.00 0.00 -ATOM 9244 O1 H2O C3082 41.609 24.073 46.302 0.00 0.00 -ATOM 9245 H1 H2O C3082 41.455 24.739 47.032 0.00 0.00 -ATOM 9246 H2 H2O C3082 41.310 23.168 46.608 0.00 0.00 -ATOM 9247 O1 H2O C3083 19.195 45.439 29.273 0.00 0.00 -ATOM 9248 H1 H2O C3083 19.003 44.566 29.723 0.00 0.00 -ATOM 9249 H2 H2O C3083 20.037 45.360 28.739 0.00 0.00 -ATOM 9250 O1 H2O C3084 59.785 17.667 32.636 0.00 0.00 -ATOM 9251 H1 H2O C3084 59.005 17.054 32.757 0.00 0.00 -ATOM 9252 H2 H2O C3084 60.087 18.002 33.529 0.00 0.00 -ATOM 9253 O1 H2O C3085 8.043 30.268 22.849 0.00 0.00 -ATOM 9254 H1 H2O C3085 7.585 30.900 23.475 0.00 0.00 -ATOM 9255 H2 H2O C3085 7.904 30.574 21.907 0.00 0.00 -ATOM 9256 O1 H2O C3086 53.107 34.136 48.171 0.00 0.00 -ATOM 9257 H1 H2O C3086 52.988 33.324 47.600 0.00 0.00 -ATOM 9258 H2 H2O C3086 52.279 34.286 48.712 0.00 0.00 -ATOM 9259 O1 H2O C3087 33.997 17.085 42.220 0.00 0.00 -ATOM 9260 H1 H2O C3087 34.782 17.494 42.686 0.00 0.00 -ATOM 9261 H2 H2O C3087 33.989 17.378 41.263 0.00 0.00 -ATOM 9262 O1 H2O C3088 23.651 33.789 31.413 0.00 0.00 -ATOM 9263 H1 H2O C3088 23.408 34.338 30.613 0.00 0.00 -ATOM 9264 H2 H2O C3088 22.839 33.309 31.746 0.00 0.00 -ATOM 9265 O1 H2O C3089 57.346 38.620 44.459 0.00 0.00 -ATOM 9266 H1 H2O C3089 57.410 38.285 43.519 0.00 0.00 -ATOM 9267 H2 H2O C3089 57.612 39.584 44.488 0.00 0.00 -ATOM 9268 O1 H2O C3090 1.611 21.127 39.757 0.00 0.00 -ATOM 9269 H1 H2O C3090 1.221 20.624 40.529 0.00 0.00 -ATOM 9270 H2 H2O C3090 2.303 21.767 40.091 0.00 0.00 -ATOM 9271 O1 H2O C3091 56.025 35.197 9.599 0.00 0.00 -ATOM 9272 H1 H2O C3091 56.985 35.477 9.573 0.00 0.00 -ATOM 9273 H2 H2O C3091 55.668 35.321 10.526 0.00 0.00 -ATOM 9274 O1 H2O C3092 49.342 32.868 20.178 0.00 0.00 -ATOM 9275 H1 H2O C3092 50.003 33.616 20.118 0.00 0.00 -ATOM 9276 H2 H2O C3092 48.609 33.015 19.514 0.00 0.00 -ATOM 9277 O1 H2O C3093 45.661 45.508 55.313 0.00 0.00 -ATOM 9278 H1 H2O C3093 46.000 46.196 54.671 0.00 0.00 -ATOM 9279 H2 H2O C3093 46.019 44.610 55.059 0.00 0.00 -ATOM 9280 O1 H2O C3094 15.170 13.830 28.489 0.00 0.00 -ATOM 9281 H1 H2O C3094 16.020 13.326 28.646 0.00 0.00 -ATOM 9282 H2 H2O C3094 14.893 14.287 29.333 0.00 0.00 -ATOM 9283 O1 H2O C3095 33.162 39.688 8.515 0.00 0.00 -ATOM 9284 H1 H2O C3095 33.249 39.051 9.280 0.00 0.00 -ATOM 9285 H2 H2O C3095 33.954 40.299 8.498 0.00 0.00 -ATOM 9286 O1 H2O C3096 22.499 41.702 8.295 0.00 0.00 -ATOM 9287 H1 H2O C3096 21.614 41.889 7.869 0.00 0.00 -ATOM 9288 H2 H2O C3096 22.525 42.117 9.205 0.00 0.00 -ATOM 9289 O1 H2O C3097 2.769 17.867 33.757 0.00 0.00 -ATOM 9290 H1 H2O C3097 3.086 16.927 33.627 0.00 0.00 -ATOM 9291 H2 H2O C3097 3.140 18.227 34.614 0.00 0.00 -ATOM 9292 O1 H2O C3098 52.416 25.973 29.061 0.00 0.00 -ATOM 9293 H1 H2O C3098 51.990 25.863 29.959 0.00 0.00 -ATOM 9294 H2 H2O C3098 52.147 25.214 28.469 0.00 0.00 -ATOM 9295 O1 H2O C3099 58.876 26.556 13.450 0.00 0.00 -ATOM 9296 H1 H2O C3099 58.250 27.171 13.930 0.00 0.00 -ATOM 9297 H2 H2O C3099 59.797 26.658 13.826 0.00 0.00 -ATOM 9298 O1 H2O C3100 36.202 1.956 58.371 0.00 0.00 -ATOM 9299 H1 H2O C3100 36.671 2.466 57.650 0.00 0.00 -ATOM 9300 H2 H2O C3100 36.561 2.232 59.263 0.00 0.00 -ATOM 9301 O1 H2O C3101 44.412 34.514 26.068 0.00 0.00 -ATOM 9302 H1 H2O C3101 44.143 34.946 26.928 0.00 0.00 -ATOM 9303 H2 H2O C3101 45.163 33.876 26.236 0.00 0.00 -ATOM 9304 O1 H2O C3102 5.100 42.741 17.867 0.00 0.00 -ATOM 9305 H1 H2O C3102 5.706 42.718 18.662 0.00 0.00 -ATOM 9306 H2 H2O C3102 5.109 41.847 17.417 0.00 0.00 -ATOM 9307 O1 H2O C3103 41.132 46.345 41.512 0.00 0.00 -ATOM 9308 H1 H2O C3103 40.526 47.139 41.468 0.00 0.00 -ATOM 9309 H2 H2O C3103 42.049 46.639 41.782 0.00 0.00 -ATOM 9310 O1 H2O C3104 11.531 11.973 5.701 0.00 0.00 -ATOM 9311 H1 H2O C3104 10.548 12.089 5.558 0.00 0.00 -ATOM 9312 H2 H2O C3104 11.739 12.065 6.675 0.00 0.00 -ATOM 9313 O1 H2O C3105 40.380 28.226 38.132 0.00 0.00 -ATOM 9314 H1 H2O C3105 41.373 28.220 38.261 0.00 0.00 -ATOM 9315 H2 H2O C3105 40.170 28.098 37.162 0.00 0.00 -ATOM 9316 O1 H2O C3106 28.470 22.311 24.550 0.00 0.00 -ATOM 9317 H1 H2O C3106 28.175 22.243 25.503 0.00 0.00 -ATOM 9318 H2 H2O C3106 27.733 22.702 23.999 0.00 0.00 -ATOM 9319 O1 H2O C3107 5.011 18.738 15.782 0.00 0.00 -ATOM 9320 H1 H2O C3107 5.202 17.914 16.316 0.00 0.00 -ATOM 9321 H2 H2O C3107 5.474 19.520 16.199 0.00 0.00 -ATOM 9322 O1 H2O C3108 49.684 25.927 37.199 0.00 0.00 -ATOM 9323 H1 H2O C3108 50.157 25.716 36.343 0.00 0.00 -ATOM 9324 H2 H2O C3108 49.291 25.089 37.577 0.00 0.00 -ATOM 9325 O1 H2O C3109 24.228 17.133 53.365 0.00 0.00 -ATOM 9326 H1 H2O C3109 24.510 16.188 53.536 0.00 0.00 -ATOM 9327 H2 H2O C3109 24.429 17.690 54.172 0.00 0.00 -ATOM 9328 O1 H2O C3110 22.091 13.485 9.117 0.00 0.00 -ATOM 9329 H1 H2O C3110 21.466 13.790 8.398 0.00 0.00 -ATOM 9330 H2 H2O C3110 22.911 13.092 8.701 0.00 0.00 -ATOM 9331 O1 H2O C3111 43.630 14.739 7.110 0.00 0.00 -ATOM 9332 H1 H2O C3111 43.534 15.650 7.513 0.00 0.00 -ATOM 9333 H2 H2O C3111 43.727 14.824 6.117 0.00 0.00 -ATOM 9334 O1 H2O C3112 27.972 58.283 29.399 0.00 0.00 -ATOM 9335 H1 H2O C3112 28.497 58.802 28.724 0.00 0.00 -ATOM 9336 H2 H2O C3112 27.139 57.930 28.972 0.00 0.00 -ATOM 9337 O1 H2O C3113 50.549 33.750 16.494 0.00 0.00 -ATOM 9338 H1 H2O C3113 50.955 34.614 16.793 0.00 0.00 -ATOM 9339 H2 H2O C3113 50.353 33.797 15.514 0.00 0.00 -ATOM 9340 O1 H2O C3114 21.455 23.871 35.325 0.00 0.00 -ATOM 9341 H1 H2O C3114 21.660 23.788 36.301 0.00 0.00 -ATOM 9342 H2 H2O C3114 22.265 24.204 34.842 0.00 0.00 -ATOM 9343 O1 H2O C3115 2.944 40.106 34.238 0.00 0.00 -ATOM 9344 H1 H2O C3115 2.339 40.885 34.072 0.00 0.00 -ATOM 9345 H2 H2O C3115 2.956 39.516 33.430 0.00 0.00 -ATOM 9346 O1 H2O C3116 52.760 44.472 53.866 0.00 0.00 -ATOM 9347 H1 H2O C3116 52.285 44.055 54.641 0.00 0.00 -ATOM 9348 H2 H2O C3116 52.879 45.451 54.036 0.00 0.00 -ATOM 9349 O1 H2O C3117 58.220 56.132 27.338 0.00 0.00 -ATOM 9350 H1 H2O C3117 59.158 56.095 26.995 0.00 0.00 -ATOM 9351 H2 H2O C3117 57.974 55.247 27.733 0.00 0.00 -ATOM 9352 O1 H2O C3118 22.959 23.722 15.129 0.00 0.00 -ATOM 9353 H1 H2O C3118 23.244 22.860 14.710 0.00 0.00 -ATOM 9354 H2 H2O C3118 23.711 24.091 15.677 0.00 0.00 -ATOM 9355 O1 H2O C3119 58.958 35.743 36.603 0.00 0.00 -ATOM 9356 H1 H2O C3119 58.145 36.170 36.209 0.00 0.00 -ATOM 9357 H2 H2O C3119 59.222 36.233 37.434 0.00 0.00 -ATOM 9358 O1 H2O C3120 44.411 45.257 50.410 0.00 0.00 -ATOM 9359 H1 H2O C3120 43.589 45.134 50.967 0.00 0.00 -ATOM 9360 H2 H2O C3120 45.150 45.614 50.982 0.00 0.00 -ATOM 9361 O1 H2O C3121 56.625 50.937 57.059 0.00 0.00 -ATOM 9362 H1 H2O C3121 56.135 50.066 57.113 0.00 0.00 -ATOM 9363 H2 H2O C3121 56.988 51.058 56.135 0.00 0.00 -ATOM 9364 O1 H2O C3122 46.530 33.415 28.238 0.00 0.00 -ATOM 9365 H1 H2O C3122 47.454 33.787 28.330 0.00 0.00 -ATOM 9366 H2 H2O C3122 46.045 33.902 27.511 0.00 0.00 -ATOM 9367 O1 H2O C3123 27.894 41.887 21.685 0.00 0.00 -ATOM 9368 H1 H2O C3123 28.184 41.243 22.393 0.00 0.00 -ATOM 9369 H2 H2O C3123 28.271 41.605 20.803 0.00 0.00 -ATOM 9370 O1 H2O C3124 27.456 23.680 57.704 0.00 0.00 -ATOM 9371 H1 H2O C3124 26.463 23.701 57.585 0.00 0.00 -ATOM 9372 H2 H2O C3124 27.801 22.773 57.457 0.00 0.00 -ATOM 9373 O1 H2O C3125 22.394 39.121 50.967 0.00 0.00 -ATOM 9374 H1 H2O C3125 23.081 39.358 51.654 0.00 0.00 -ATOM 9375 H2 H2O C3125 21.534 39.585 51.183 0.00 0.00 -ATOM 9376 O1 H2O C3126 45.042 33.131 54.467 0.00 0.00 -ATOM 9377 H1 H2O C3126 45.926 33.171 54.000 0.00 0.00 -ATOM 9378 H2 H2O C3126 44.794 32.175 54.629 0.00 0.00 -ATOM 9379 O1 H2O C3127 13.012 4.268 49.486 0.00 0.00 -ATOM 9380 H1 H2O C3127 13.536 5.010 49.068 0.00 0.00 -ATOM 9381 H2 H2O C3127 12.303 4.653 50.076 0.00 0.00 -ATOM 9382 O1 H2O C3128 31.841 2.907 20.095 0.00 0.00 -ATOM 9383 H1 H2O C3128 32.298 3.620 20.627 0.00 0.00 -ATOM 9384 H2 H2O C3128 31.576 2.157 20.700 0.00 0.00 -ATOM 9385 O1 H2O C3129 58.766 4.212 42.349 0.00 0.00 -ATOM 9386 H1 H2O C3129 59.101 5.033 42.813 0.00 0.00 -ATOM 9387 H2 H2O C3129 58.003 3.825 42.867 0.00 0.00 -ATOM 9388 O1 H2O C3130 55.086 4.936 37.685 0.00 0.00 -ATOM 9389 H1 H2O C3130 54.362 5.245 38.302 0.00 0.00 -ATOM 9390 H2 H2O C3130 54.977 5.380 36.795 0.00 0.00 -ATOM 9391 O1 H2O C3131 43.572 49.283 19.142 0.00 0.00 -ATOM 9392 H1 H2O C3131 42.704 49.743 18.952 0.00 0.00 -ATOM 9393 H2 H2O C3131 43.600 48.410 18.655 0.00 0.00 -ATOM 9394 O1 H2O C3132 48.044 27.922 28.790 0.00 0.00 -ATOM 9395 H1 H2O C3132 48.044 28.840 29.185 0.00 0.00 -ATOM 9396 H2 H2O C3132 47.545 27.931 27.923 0.00 0.00 -ATOM 9397 O1 H2O C3133 26.602 42.649 9.406 0.00 0.00 -ATOM 9398 H1 H2O C3133 26.325 43.280 10.131 0.00 0.00 -ATOM 9399 H2 H2O C3133 27.027 41.840 9.814 0.00 0.00 -ATOM 9400 O1 H2O C3134 6.049 47.347 18.979 0.00 0.00 -ATOM 9401 H1 H2O C3134 5.488 48.073 18.582 0.00 0.00 -ATOM 9402 H2 H2O C3134 6.950 47.345 18.545 0.00 0.00 -ATOM 9403 O1 H2O C3135 13.699 52.154 33.524 0.00 0.00 -ATOM 9404 H1 H2O C3135 14.199 52.083 32.661 0.00 0.00 -ATOM 9405 H2 H2O C3135 12.720 52.053 33.351 0.00 0.00 -ATOM 9406 O1 H2O C3136 28.365 54.568 42.430 0.00 0.00 -ATOM 9407 H1 H2O C3136 29.199 55.013 42.100 0.00 0.00 -ATOM 9408 H2 H2O C3136 27.663 55.261 42.596 0.00 0.00 -ATOM 9409 O1 H2O C3137 34.385 46.380 28.713 0.00 0.00 -ATOM 9410 H1 H2O C3137 35.309 46.156 28.402 0.00 0.00 -ATOM 9411 H2 H2O C3137 34.326 47.359 28.905 0.00 0.00 -ATOM 9412 O1 H2O C3138 42.481 20.173 39.811 0.00 0.00 -ATOM 9413 H1 H2O C3138 41.723 20.349 39.183 0.00 0.00 -ATOM 9414 H2 H2O C3138 43.189 19.646 39.341 0.00 0.00 -ATOM 9415 O1 H2O C3139 45.553 45.751 43.905 0.00 0.00 -ATOM 9416 H1 H2O C3139 46.025 46.471 43.395 0.00 0.00 -ATOM 9417 H2 H2O C3139 44.769 45.426 43.376 0.00 0.00 -ATOM 9418 O1 H2O C3140 44.683 7.694 40.829 0.00 0.00 -ATOM 9419 H1 H2O C3140 44.304 8.615 40.732 0.00 0.00 -ATOM 9420 H2 H2O C3140 44.742 7.460 41.801 0.00 0.00 -ATOM 9421 O1 H2O C3141 13.507 54.916 29.069 0.00 0.00 -ATOM 9422 H1 H2O C3141 13.513 54.015 29.504 0.00 0.00 -ATOM 9423 H2 H2O C3141 13.048 54.854 28.183 0.00 0.00 -ATOM 9424 O1 H2O C3142 0.068 32.987 18.708 0.00 0.00 -ATOM 9425 H1 H2O C3142 0.778 32.875 19.404 0.00 0.00 -ATOM 9426 H2 H2O C3142 -0.000 32.149 18.164 0.00 0.00 -ATOM 9427 O1 H2O C3143 31.304 53.561 48.206 0.00 0.00 -ATOM 9428 H1 H2O C3143 30.304 53.571 48.219 0.00 0.00 -ATOM 9429 H2 H2O C3143 31.627 53.766 47.282 0.00 0.00 -ATOM 9430 O1 H2O C3144 27.954 12.238 27.675 0.00 0.00 -ATOM 9431 H1 H2O C3144 27.503 11.642 28.340 0.00 0.00 -ATOM 9432 H2 H2O C3144 27.413 12.269 26.835 0.00 0.00 -ATOM 9433 O1 H2O C3145 3.423 36.927 28.637 0.00 0.00 -ATOM 9434 H1 H2O C3145 3.831 36.069 28.327 0.00 0.00 -ATOM 9435 H2 H2O C3145 4.134 37.627 28.710 0.00 0.00 -ATOM 9436 O1 H2O C3146 13.350 0.232 46.386 0.00 0.00 -ATOM 9437 H1 H2O C3146 13.272 0.498 45.425 0.00 0.00 -ATOM 9438 H2 H2O C3146 14.093 0.747 46.814 0.00 0.00 -ATOM 9439 O1 H2O C3147 18.588 33.237 51.595 0.00 0.00 -ATOM 9440 H1 H2O C3147 18.275 34.162 51.374 0.00 0.00 -ATOM 9441 H2 H2O C3147 19.516 33.108 51.246 0.00 0.00 -ATOM 9442 O1 H2O C3148 49.493 31.297 2.996 0.00 0.00 -ATOM 9443 H1 H2O C3148 48.651 31.700 2.640 0.00 0.00 -ATOM 9444 H2 H2O C3148 49.279 30.443 3.471 0.00 0.00 -ATOM 9445 O1 H2O C3149 42.677 4.082 9.706 0.00 0.00 -ATOM 9446 H1 H2O C3149 41.919 4.605 9.318 0.00 0.00 -ATOM 9447 H2 H2O C3149 43.430 4.701 9.930 0.00 0.00 -ATOM 9448 O1 H2O C3150 59.581 44.241 51.302 0.00 0.00 -ATOM 9449 H1 H2O C3150 60.402 43.832 51.702 0.00 0.00 -ATOM 9450 H2 H2O C3150 58.775 43.735 51.608 0.00 0.00 -ATOM 9451 O1 H2O C3151 19.035 13.350 10.407 0.00 0.00 -ATOM 9452 H1 H2O C3151 18.340 13.632 11.070 0.00 0.00 -ATOM 9453 H2 H2O C3151 18.985 12.360 10.274 0.00 0.00 -ATOM 9454 O1 H2O C3152 7.293 8.748 57.371 0.00 0.00 -ATOM 9455 H1 H2O C3152 7.027 9.226 58.208 0.00 0.00 -ATOM 9456 H2 H2O C3152 8.289 8.669 57.335 0.00 0.00 -ATOM 9457 O1 H2O C3153 44.839 19.990 2.845 0.00 0.00 -ATOM 9458 H1 H2O C3153 44.238 20.625 3.332 0.00 0.00 -ATOM 9459 H2 H2O C3153 45.377 19.467 3.506 0.00 0.00 -ATOM 9460 O1 H2O C3154 20.339 31.629 50.909 0.00 0.00 -ATOM 9461 H1 H2O C3154 19.616 32.318 50.963 0.00 0.00 -ATOM 9462 H2 H2O C3154 19.937 30.740 50.690 0.00 0.00 -ATOM 9463 O1 H2O C3155 58.286 56.023 8.644 0.00 0.00 -ATOM 9464 H1 H2O C3155 58.669 56.704 8.019 0.00 0.00 -ATOM 9465 H2 H2O C3155 58.360 56.354 9.584 0.00 0.00 -ATOM 9466 O1 H2O C3156 33.522 46.929 16.353 0.00 0.00 -ATOM 9467 H1 H2O C3156 32.709 47.512 16.382 0.00 0.00 -ATOM 9468 H2 H2O C3156 33.490 46.276 17.111 0.00 0.00 -ATOM 9469 O1 H2O C3157 15.176 51.464 33.914 0.00 0.00 -ATOM 9470 H1 H2O C3157 14.545 50.820 33.479 0.00 0.00 -ATOM 9471 H2 H2O C3157 14.821 52.395 33.814 0.00 0.00 -ATOM 9472 O1 H2O C3158 35.824 56.054 39.117 0.00 0.00 -ATOM 9473 H1 H2O C3158 35.158 55.341 39.337 0.00 0.00 -ATOM 9474 H2 H2O C3158 36.684 55.864 39.592 0.00 0.00 -ATOM 9475 O1 H2O C3159 55.824 47.164 36.741 0.00 0.00 -ATOM 9476 H1 H2O C3159 56.411 47.292 37.540 0.00 0.00 -ATOM 9477 H2 H2O C3159 56.128 46.361 36.229 0.00 0.00 -ATOM 9478 O1 H2O C3160 30.076 18.691 33.035 0.00 0.00 -ATOM 9479 H1 H2O C3160 30.413 17.756 32.924 0.00 0.00 -ATOM 9480 H2 H2O C3160 30.567 19.134 33.786 0.00 0.00 -ATOM 9481 O1 H2O C3161 9.008 7.833 12.410 0.00 0.00 -ATOM 9482 H1 H2O C3161 8.940 8.686 11.892 0.00 0.00 -ATOM 9483 H2 H2O C3161 8.505 7.924 13.269 0.00 0.00 -ATOM 9484 O1 H2O C3162 42.257 17.598 32.726 0.00 0.00 -ATOM 9485 H1 H2O C3162 42.432 18.457 33.208 0.00 0.00 -ATOM 9486 H2 H2O C3162 42.311 17.753 31.740 0.00 0.00 -ATOM 9487 O1 H2O C3163 48.916 48.544 17.804 0.00 0.00 -ATOM 9488 H1 H2O C3163 49.887 48.767 17.723 0.00 0.00 -ATOM 9489 H2 H2O C3163 48.654 47.922 17.067 0.00 0.00 -ATOM 9490 O1 H2O C3164 44.453 7.385 15.091 0.00 0.00 -ATOM 9491 H1 H2O C3164 44.332 7.363 14.098 0.00 0.00 -ATOM 9492 H2 H2O C3164 45.173 8.041 15.323 0.00 0.00 -ATOM 9493 O1 H2O C3165 16.019 11.681 57.298 0.00 0.00 -ATOM 9494 H1 H2O C3165 16.653 12.455 57.311 0.00 0.00 -ATOM 9495 H2 H2O C3165 15.319 11.814 58.000 0.00 0.00 -ATOM 9496 O1 H2O C3166 33.700 21.697 31.931 0.00 0.00 -ATOM 9497 H1 H2O C3166 33.693 21.933 32.903 0.00 0.00 -ATOM 9498 H2 H2O C3166 32.779 21.801 31.556 0.00 0.00 -ATOM 9499 O1 H2O C3167 47.154 28.113 25.425 0.00 0.00 -ATOM 9500 H1 H2O C3167 47.470 27.192 25.659 0.00 0.00 -ATOM 9501 H2 H2O C3167 46.958 28.620 26.264 0.00 0.00 -ATOM 9502 O1 H2O C3168 11.417 6.810 48.824 0.00 0.00 -ATOM 9503 H1 H2O C3168 11.194 5.859 49.044 0.00 0.00 -ATOM 9504 H2 H2O C3168 11.356 6.945 47.834 0.00 0.00 -ATOM 9505 O1 H2O C3169 0.946 20.247 7.353 0.00 0.00 -ATOM 9506 H1 H2O C3169 -0.003 20.097 7.073 0.00 0.00 -ATOM 9507 H2 H2O C3169 1.441 20.707 6.615 0.00 0.00 -ATOM 9508 O1 H2O C3170 4.304 23.733 38.929 0.00 0.00 -ATOM 9509 H1 H2O C3170 4.367 22.756 39.132 0.00 0.00 -ATOM 9510 H2 H2O C3170 3.783 23.864 38.084 0.00 0.00 -ATOM 9511 O1 H2O C3171 48.760 31.391 4.756 0.00 0.00 -ATOM 9512 H1 H2O C3171 48.699 32.276 4.292 0.00 0.00 -ATOM 9513 H2 H2O C3171 48.730 31.533 5.746 0.00 0.00 -ATOM 9514 O1 H2O C3172 4.324 33.161 29.781 0.00 0.00 -ATOM 9515 H1 H2O C3172 3.367 33.189 30.068 0.00 0.00 -ATOM 9516 H2 H2O C3172 4.553 32.236 29.476 0.00 0.00 -ATOM 9517 O1 H2O C3173 43.644 49.919 58.577 0.00 0.00 -ATOM 9518 H1 H2O C3173 42.953 49.770 59.284 0.00 0.00 -ATOM 9519 H2 H2O C3173 43.801 49.065 58.080 0.00 0.00 -ATOM 9520 O1 H2O C3174 12.571 37.976 19.702 0.00 0.00 -ATOM 9521 H1 H2O C3174 13.499 37.646 19.882 0.00 0.00 -ATOM 9522 H2 H2O C3174 12.614 38.778 19.106 0.00 0.00 -ATOM 9523 O1 H2O C3175 25.470 29.310 24.930 0.00 0.00 -ATOM 9524 H1 H2O C3175 24.573 28.940 24.683 0.00 0.00 -ATOM 9525 H2 H2O C3175 25.441 29.655 25.868 0.00 0.00 -ATOM 9526 O1 H2O C3176 21.048 59.034 40.160 0.00 0.00 -ATOM 9527 H1 H2O C3176 21.839 58.579 40.569 0.00 0.00 -ATOM 9528 H2 H2O C3176 21.221 60.017 40.105 0.00 0.00 -ATOM 9529 O1 H2O C3177 0.821 58.291 15.615 0.00 0.00 -ATOM 9530 H1 H2O C3177 1.342 59.140 15.702 0.00 0.00 -ATOM 9531 H2 H2O C3177 -0.151 58.480 15.753 0.00 0.00 -ATOM 9532 O1 H2O C3178 39.254 38.069 59.051 0.00 0.00 -ATOM 9533 H1 H2O C3178 40.178 38.324 58.765 0.00 0.00 -ATOM 9534 H2 H2O C3178 39.122 38.319 60.011 0.00 0.00 -ATOM 9535 O1 H2O C3179 25.934 9.006 50.056 0.00 0.00 -ATOM 9536 H1 H2O C3179 25.258 8.453 50.545 0.00 0.00 -ATOM 9537 H2 H2O C3179 26.618 9.345 50.703 0.00 0.00 -ATOM 9538 O1 H2O C3180 48.136 45.954 21.655 0.00 0.00 -ATOM 9539 H1 H2O C3180 48.765 46.660 21.983 0.00 0.00 -ATOM 9540 H2 H2O C3180 47.574 46.328 20.917 0.00 0.00 -ATOM 9541 O1 H2O C3181 49.779 32.661 49.291 0.00 0.00 -ATOM 9542 H1 H2O C3181 49.703 31.968 50.008 0.00 0.00 -ATOM 9543 H2 H2O C3181 49.910 33.560 49.710 0.00 0.00 -ATOM 9544 O1 H2O C3182 34.342 25.425 23.443 0.00 0.00 -ATOM 9545 H1 H2O C3182 34.266 25.317 24.434 0.00 0.00 -ATOM 9546 H2 H2O C3182 33.434 25.584 23.055 0.00 0.00 -ATOM 9547 O1 H2O C3183 18.090 46.689 29.232 0.00 0.00 -ATOM 9548 H1 H2O C3183 18.375 46.240 30.078 0.00 0.00 -ATOM 9549 H2 H2O C3183 17.698 46.010 28.610 0.00 0.00 -ATOM 9550 O1 H2O C3184 35.596 36.776 3.368 0.00 0.00 -ATOM 9551 H1 H2O C3184 34.744 36.296 3.579 0.00 0.00 -ATOM 9552 H2 H2O C3184 35.420 37.484 2.684 0.00 0.00 -ATOM 9553 O1 H2O C3185 24.885 32.602 42.079 0.00 0.00 -ATOM 9554 H1 H2O C3185 24.527 31.670 42.018 0.00 0.00 -ATOM 9555 H2 H2O C3185 25.066 32.826 43.037 0.00 0.00 -ATOM 9556 O1 H2O C3186 1.172 55.574 0.213 0.00 0.00 -ATOM 9557 H1 H2O C3186 1.256 56.408 -0.334 0.00 0.00 -ATOM 9558 H2 H2O C3186 0.401 55.665 0.843 0.00 0.00 -ATOM 9559 O1 H2O C3187 28.619 9.257 43.567 0.00 0.00 -ATOM 9560 H1 H2O C3187 29.265 8.875 44.228 0.00 0.00 -ATOM 9561 H2 H2O C3187 29.027 10.058 43.128 0.00 0.00 -ATOM 9562 O1 H2O C3188 18.560 15.216 27.621 0.00 0.00 -ATOM 9563 H1 H2O C3188 18.084 14.401 27.951 0.00 0.00 -ATOM 9564 H2 H2O C3188 18.314 15.999 28.192 0.00 0.00 -ATOM 9565 O1 H2O C3189 45.192 53.412 57.426 0.00 0.00 -ATOM 9566 H1 H2O C3189 44.229 53.324 57.678 0.00 0.00 -ATOM 9567 H2 H2O C3189 45.724 53.680 58.230 0.00 0.00 -ATOM 9568 O1 H2O C3190 30.729 45.133 33.062 0.00 0.00 -ATOM 9569 H1 H2O C3190 30.464 46.084 33.222 0.00 0.00 -ATOM 9570 H2 H2O C3190 31.687 45.098 32.777 0.00 0.00 -ATOM 9571 O1 H2O C3191 11.646 30.431 51.913 0.00 0.00 -ATOM 9572 H1 H2O C3191 11.113 29.795 52.470 0.00 0.00 -ATOM 9573 H2 H2O C3191 12.516 30.625 52.367 0.00 0.00 -ATOM 9574 O1 H2O C3192 54.448 24.292 4.230 0.00 0.00 -ATOM 9575 H1 H2O C3192 54.819 24.239 3.302 0.00 0.00 -ATOM 9576 H2 H2O C3192 53.478 24.047 4.215 0.00 0.00 -ATOM 9577 O1 H2O C3193 42.741 40.628 12.988 0.00 0.00 -ATOM 9578 H1 H2O C3193 42.659 41.619 12.888 0.00 0.00 -ATOM 9579 H2 H2O C3193 43.108 40.413 13.893 0.00 0.00 -ATOM 9580 O1 H2O C3194 57.275 35.193 17.833 0.00 0.00 -ATOM 9581 H1 H2O C3194 58.001 35.860 18.003 0.00 0.00 -ATOM 9582 H2 H2O C3194 57.600 34.508 17.179 0.00 0.00 -ATOM 9583 O1 H2O C3195 50.491 1.146 19.509 0.00 0.00 -ATOM 9584 H1 H2O C3195 49.882 0.463 19.914 0.00 0.00 -ATOM 9585 H2 H2O C3195 50.807 1.774 20.222 0.00 0.00 -ATOM 9586 O1 H2O C3196 9.260 33.246 37.893 0.00 0.00 -ATOM 9587 H1 H2O C3196 8.549 33.947 37.935 0.00 0.00 -ATOM 9588 H2 H2O C3196 10.154 33.684 37.795 0.00 0.00 -ATOM 9589 O1 H2O C3197 0.197 26.188 4.256 0.00 0.00 -ATOM 9590 H1 H2O C3197 0.153 27.153 3.996 0.00 0.00 -ATOM 9591 H2 H2O C3197 1.134 25.955 4.515 0.00 0.00 -ATOM 9592 O1 H2O C3198 35.054 14.970 27.638 0.00 0.00 -ATOM 9593 H1 H2O C3198 34.826 14.207 28.242 0.00 0.00 -ATOM 9594 H2 H2O C3198 34.533 14.890 26.788 0.00 0.00 -ATOM 9595 O1 H2O C3199 49.759 14.097 48.595 0.00 0.00 -ATOM 9596 H1 H2O C3199 49.782 13.335 47.947 0.00 0.00 -ATOM 9597 H2 H2O C3199 49.784 14.961 48.092 0.00 0.00 -ATOM 9598 O1 H2O C3200 25.583 50.363 26.601 0.00 0.00 -ATOM 9599 H1 H2O C3200 24.795 50.565 26.019 0.00 0.00 -ATOM 9600 H2 H2O C3200 25.497 49.436 26.967 0.00 0.00 -ATOM 9601 O1 H2O C3201 43.688 59.758 18.259 0.00 0.00 -ATOM 9602 H1 H2O C3201 44.320 59.188 17.734 0.00 0.00 -ATOM 9603 H2 H2O C3201 43.141 60.314 17.632 0.00 0.00 -ATOM 9604 O1 H2O C3202 56.504 41.766 45.302 0.00 0.00 -ATOM 9605 H1 H2O C3202 55.577 41.410 45.190 0.00 0.00 -ATOM 9606 H2 H2O C3202 57.149 41.178 44.813 0.00 0.00 -ATOM 9607 O1 H2O C3203 24.014 50.597 50.848 0.00 0.00 -ATOM 9608 H1 H2O C3203 23.714 49.644 50.787 0.00 0.00 -ATOM 9609 H2 H2O C3203 24.021 50.882 51.808 0.00 0.00 -ATOM 9610 O1 H2O C3204 13.453 21.887 32.817 0.00 0.00 -ATOM 9611 H1 H2O C3204 13.366 22.860 33.029 0.00 0.00 -ATOM 9612 H2 H2O C3204 14.041 21.771 32.017 0.00 0.00 -ATOM 9613 O1 H2O C3205 5.179 36.269 43.345 0.00 0.00 -ATOM 9614 H1 H2O C3205 6.025 36.568 43.786 0.00 0.00 -ATOM 9615 H2 H2O C3205 5.392 35.858 42.459 0.00 0.00 -ATOM 9616 O1 H2O C3206 9.312 45.373 18.396 0.00 0.00 -ATOM 9617 H1 H2O C3206 8.795 44.684 17.889 0.00 0.00 -ATOM 9618 H2 H2O C3206 8.720 45.797 19.081 0.00 0.00 -ATOM 9619 O1 H2O C3207 43.280 39.607 58.372 0.00 0.00 -ATOM 9620 H1 H2O C3207 44.155 40.061 58.538 0.00 0.00 -ATOM 9621 H2 H2O C3207 43.003 39.106 59.192 0.00 0.00 -ATOM 9622 O1 H2O C3208 20.429 27.397 36.265 0.00 0.00 -ATOM 9623 H1 H2O C3208 20.889 28.279 36.372 0.00 0.00 -ATOM 9624 H2 H2O C3208 20.129 27.067 37.161 0.00 0.00 -ATOM 9625 O1 H2O C3209 50.893 25.183 8.272 0.00 0.00 -ATOM 9626 H1 H2O C3209 50.119 24.550 8.237 0.00 0.00 -ATOM 9627 H2 H2O C3209 50.939 25.698 7.416 0.00 0.00 -ATOM 9628 O1 H2O C3210 28.004 11.084 34.090 0.00 0.00 -ATOM 9629 H1 H2O C3210 27.847 12.071 34.040 0.00 0.00 -ATOM 9630 H2 H2O C3210 28.291 10.747 33.193 0.00 0.00 -ATOM 9631 O1 H2O C3211 55.580 44.062 53.340 0.00 0.00 -ATOM 9632 H1 H2O C3211 54.681 44.496 53.412 0.00 0.00 -ATOM 9633 H2 H2O C3211 55.729 43.474 54.136 0.00 0.00 -ATOM 9634 O1 H2O C3212 19.414 25.868 57.876 0.00 0.00 -ATOM 9635 H1 H2O C3212 19.319 25.364 57.017 0.00 0.00 -ATOM 9636 H2 H2O C3212 19.346 25.232 58.645 0.00 0.00 -ATOM 9637 O1 H2O C3213 47.808 7.902 25.629 0.00 0.00 -ATOM 9638 H1 H2O C3213 48.042 7.015 25.231 0.00 0.00 -ATOM 9639 H2 H2O C3213 47.410 8.489 24.924 0.00 0.00 -ATOM 9640 O1 H2O C3214 0.593 52.865 24.969 0.00 0.00 -ATOM 9641 H1 H2O C3214 1.201 52.127 25.262 0.00 0.00 -ATOM 9642 H2 H2O C3214 0.589 53.587 25.661 0.00 0.00 -ATOM 9643 O1 H2O C3215 14.883 60.285 23.255 0.00 0.00 -ATOM 9644 H1 H2O C3215 14.248 59.937 22.565 0.00 0.00 -ATOM 9645 H2 H2O C3215 15.309 59.516 23.732 0.00 0.00 -ATOM 9646 O1 H2O C3216 33.714 39.091 29.893 0.00 0.00 -ATOM 9647 H1 H2O C3216 34.288 39.881 30.108 0.00 0.00 -ATOM 9648 H2 H2O C3216 33.749 38.437 30.649 0.00 0.00 -ATOM 9649 O1 H2O C3217 56.721 21.297 54.721 0.00 0.00 -ATOM 9650 H1 H2O C3217 56.125 20.548 55.011 0.00 0.00 -ATOM 9651 H2 H2O C3217 57.474 20.931 54.173 0.00 0.00 -ATOM 9652 O1 H2O C3218 38.481 16.068 50.962 0.00 0.00 -ATOM 9653 H1 H2O C3218 38.737 15.441 50.227 0.00 0.00 -ATOM 9654 H2 H2O C3218 39.266 16.641 51.200 0.00 0.00 -ATOM 9655 O1 H2O C3219 58.310 23.591 35.410 0.00 0.00 -ATOM 9656 H1 H2O C3219 58.534 23.395 36.365 0.00 0.00 -ATOM 9657 H2 H2O C3219 58.312 24.580 35.263 0.00 0.00 -ATOM 9658 O1 H2O C3220 42.981 0.262 49.426 0.00 0.00 -ATOM 9659 H1 H2O C3220 43.216 1.234 49.386 0.00 0.00 -ATOM 9660 H2 H2O C3220 42.814 -0.000 50.377 0.00 0.00 -ATOM 9661 O1 H2O C3221 11.891 11.029 20.571 0.00 0.00 -ATOM 9662 H1 H2O C3221 12.699 10.594 20.967 0.00 0.00 -ATOM 9663 H2 H2O C3221 12.084 11.994 20.394 0.00 0.00 -ATOM 9664 O1 H2O C3222 16.763 47.321 13.512 0.00 0.00 -ATOM 9665 H1 H2O C3222 16.466 46.681 14.222 0.00 0.00 -ATOM 9666 H2 H2O C3222 16.014 47.948 13.297 0.00 0.00 -ATOM 9667 O1 H2O C3223 30.274 37.568 42.627 0.00 0.00 -ATOM 9668 H1 H2O C3223 30.006 38.530 42.685 0.00 0.00 -ATOM 9669 H2 H2O C3223 30.840 37.332 43.417 0.00 0.00 -ATOM 9670 O1 H2O C3224 18.548 35.429 36.009 0.00 0.00 -ATOM 9671 H1 H2O C3224 19.418 35.789 36.349 0.00 0.00 -ATOM 9672 H2 H2O C3224 17.841 35.558 36.705 0.00 0.00 -ATOM 9673 O1 H2O C3225 35.693 8.354 19.680 0.00 0.00 -ATOM 9674 H1 H2O C3225 36.120 8.118 18.807 0.00 0.00 -ATOM 9675 H2 H2O C3225 35.668 7.545 20.268 0.00 0.00 -ATOM 9676 O1 H2O C3226 53.429 37.340 15.779 0.00 0.00 -ATOM 9677 H1 H2O C3226 53.992 37.129 16.579 0.00 0.00 -ATOM 9678 H2 H2O C3226 52.679 36.681 15.716 0.00 0.00 -ATOM 9679 O1 H2O C3227 38.083 37.018 49.968 0.00 0.00 -ATOM 9680 H1 H2O C3227 37.321 37.584 49.653 0.00 0.00 -ATOM 9681 H2 H2O C3227 38.289 37.238 50.922 0.00 0.00 -ATOM 9682 O1 H2O C3228 20.963 15.530 52.477 0.00 0.00 -ATOM 9683 H1 H2O C3228 21.684 15.268 53.118 0.00 0.00 -ATOM 9684 H2 H2O C3228 20.073 15.269 52.851 0.00 0.00 -ATOM 9685 O1 H2O C3229 49.170 34.612 51.195 0.00 0.00 -ATOM 9686 H1 H2O C3229 48.416 34.179 51.689 0.00 0.00 -ATOM 9687 H2 H2O C3229 49.897 34.850 51.838 0.00 0.00 -ATOM 9688 O1 H2O C3230 4.145 15.683 32.863 0.00 0.00 -ATOM 9689 H1 H2O C3230 4.107 16.424 32.192 0.00 0.00 -ATOM 9690 H2 H2O C3230 3.898 16.038 33.764 0.00 0.00 -ATOM 9691 O1 H2O C3231 46.299 0.887 0.020 0.00 0.00 -ATOM 9692 H1 H2O C3231 47.030 1.038 0.686 0.00 0.00 -ATOM 9693 H2 H2O C3231 46.621 0.264 -0.693 0.00 0.00 -ATOM 9694 O1 H2O C3232 59.420 44.272 18.162 0.00 0.00 -ATOM 9695 H1 H2O C3232 58.992 45.130 18.449 0.00 0.00 -ATOM 9696 H2 H2O C3232 60.203 44.472 17.573 0.00 0.00 -ATOM 9697 O1 H2O C3233 44.574 51.432 19.695 0.00 0.00 -ATOM 9698 H1 H2O C3233 43.728 51.922 19.905 0.00 0.00 -ATOM 9699 H2 H2O C3233 45.158 52.007 19.122 0.00 0.00 -ATOM 9700 O1 H2O C3234 20.471 47.970 16.976 0.00 0.00 -ATOM 9701 H1 H2O C3234 20.564 47.557 16.070 0.00 0.00 -ATOM 9702 H2 H2O C3234 21.076 48.764 17.045 0.00 0.00 -ATOM 9703 O1 H2O C3235 25.251 12.019 6.738 0.00 0.00 -ATOM 9704 H1 H2O C3235 25.646 12.764 6.201 0.00 0.00 -ATOM 9705 H2 H2O C3235 24.328 11.822 6.408 0.00 0.00 -ATOM 9706 O1 H2O C3236 2.705 37.774 5.893 0.00 0.00 -ATOM 9707 H1 H2O C3236 2.227 36.939 6.171 0.00 0.00 -ATOM 9708 H2 H2O C3236 3.656 37.730 6.200 0.00 0.00 -ATOM 9709 O1 H2O C3237 15.298 3.627 2.155 0.00 0.00 -ATOM 9710 H1 H2O C3237 16.106 3.312 2.652 0.00 0.00 -ATOM 9711 H2 H2O C3237 14.732 2.842 1.906 0.00 0.00 -ATOM 9712 O1 H2O C3238 10.232 24.363 53.117 0.00 0.00 -ATOM 9713 H1 H2O C3238 10.330 25.284 52.742 0.00 0.00 -ATOM 9714 H2 H2O C3238 9.505 24.357 53.803 0.00 0.00 -ATOM 9715 O1 H2O C3239 20.979 1.344 52.383 0.00 0.00 -ATOM 9716 H1 H2O C3239 20.490 1.439 53.250 0.00 0.00 -ATOM 9717 H2 H2O C3239 21.517 2.169 52.212 0.00 0.00 -ATOM 9718 O1 H2O C3240 24.084 48.274 30.596 0.00 0.00 -ATOM 9719 H1 H2O C3240 23.522 47.455 30.474 0.00 0.00 -ATOM 9720 H2 H2O C3240 24.105 48.793 29.741 0.00 0.00 -ATOM 9721 O1 H2O C3241 9.382 27.053 55.463 0.00 0.00 -ATOM 9722 H1 H2O C3241 9.774 27.211 54.556 0.00 0.00 -ATOM 9723 H2 H2O C3241 10.048 27.309 56.163 0.00 0.00 -ATOM 9724 O1 H2O C3242 41.716 42.865 32.432 0.00 0.00 -ATOM 9725 H1 H2O C3242 40.852 43.146 32.850 0.00 0.00 -ATOM 9726 H2 H2O C3242 41.796 41.869 32.469 0.00 0.00 -ATOM 9727 O1 H2O C3243 10.551 5.394 36.579 0.00 0.00 -ATOM 9728 H1 H2O C3243 11.142 6.159 36.838 0.00 0.00 -ATOM 9729 H2 H2O C3243 10.772 4.598 37.144 0.00 0.00 -ATOM 9730 O1 H2O C3244 20.281 45.474 52.187 0.00 0.00 -ATOM 9731 H1 H2O C3244 21.243 45.446 51.913 0.00 0.00 -ATOM 9732 H2 H2O C3244 19.827 44.632 51.895 0.00 0.00 -ATOM 9733 O1 H2O C3245 46.206 3.977 49.171 0.00 0.00 -ATOM 9734 H1 H2O C3245 45.638 4.797 49.099 0.00 0.00 -ATOM 9735 H2 H2O C3245 47.063 4.204 49.633 0.00 0.00 -ATOM 9736 O1 H2O C3246 31.438 54.722 27.903 0.00 0.00 -ATOM 9737 H1 H2O C3246 31.718 55.369 27.194 0.00 0.00 -ATOM 9738 H2 H2O C3246 32.083 53.959 27.932 0.00 0.00 -ATOM 9739 O1 H2O C3247 28.681 41.305 40.314 0.00 0.00 -ATOM 9740 H1 H2O C3247 28.197 40.495 40.646 0.00 0.00 -ATOM 9741 H2 H2O C3247 29.621 41.295 40.658 0.00 0.00 -ATOM 9742 O1 H2O C3248 55.213 45.468 18.592 0.00 0.00 -ATOM 9743 H1 H2O C3248 54.457 45.373 17.944 0.00 0.00 -ATOM 9744 H2 H2O C3248 54.852 45.485 19.524 0.00 0.00 -ATOM 9745 O1 H2O C3249 47.898 52.787 45.025 0.00 0.00 -ATOM 9746 H1 H2O C3249 47.279 52.695 44.245 0.00 0.00 -ATOM 9747 H2 H2O C3249 48.168 53.744 45.124 0.00 0.00 -ATOM 9748 O1 H2O C3250 59.269 2.900 50.173 0.00 0.00 -ATOM 9749 H1 H2O C3250 59.933 2.331 50.658 0.00 0.00 -ATOM 9750 H2 H2O C3250 58.420 2.388 50.047 0.00 0.00 -ATOM 9751 O1 H2O C3251 49.822 50.140 0.534 0.00 0.00 -ATOM 9752 H1 H2O C3251 49.312 49.660 -0.180 0.00 0.00 -ATOM 9753 H2 H2O C3251 50.125 51.027 0.188 0.00 0.00 -ATOM 9754 O1 H2O C3252 24.605 19.783 44.197 0.00 0.00 -ATOM 9755 H1 H2O C3252 23.957 19.679 43.443 0.00 0.00 -ATOM 9756 H2 H2O C3252 24.752 18.896 44.635 0.00 0.00 -ATOM 9757 O1 H2O C3253 35.102 19.801 52.869 0.00 0.00 -ATOM 9758 H1 H2O C3253 35.353 20.350 53.667 0.00 0.00 -ATOM 9759 H2 H2O C3253 35.917 19.626 52.316 0.00 0.00 -ATOM 9760 O1 H2O C3254 44.457 25.596 5.903 0.00 0.00 -ATOM 9761 H1 H2O C3254 45.187 24.938 5.719 0.00 0.00 -ATOM 9762 H2 H2O C3254 44.492 25.875 6.862 0.00 0.00 -ATOM 9763 O1 H2O C3255 50.505 31.838 19.238 0.00 0.00 -ATOM 9764 H1 H2O C3255 50.519 31.146 19.959 0.00 0.00 -ATOM 9765 H2 H2O C3255 51.372 32.335 19.237 0.00 0.00 -ATOM 9766 O1 H2O C3256 38.153 46.061 42.858 0.00 0.00 -ATOM 9767 H1 H2O C3256 37.740 46.715 43.492 0.00 0.00 -ATOM 9768 H2 H2O C3256 37.723 45.165 42.978 0.00 0.00 -ATOM 9769 O1 H2O C3257 45.557 26.552 33.000 0.00 0.00 -ATOM 9770 H1 H2O C3257 45.496 25.682 33.489 0.00 0.00 -ATOM 9771 H2 H2O C3257 46.199 26.463 32.239 0.00 0.00 -ATOM 9772 O1 H2O C3258 57.522 39.566 29.366 0.00 0.00 -ATOM 9773 H1 H2O C3258 58.055 40.338 29.713 0.00 0.00 -ATOM 9774 H2 H2O C3258 58.104 38.754 29.320 0.00 0.00 -ATOM 9775 O1 H2O C3259 15.732 38.220 43.578 0.00 0.00 -ATOM 9776 H1 H2O C3259 16.701 38.037 43.413 0.00 0.00 -ATOM 9777 H2 H2O C3259 15.477 37.878 44.482 0.00 0.00 -ATOM 9778 O1 H2O C3260 52.065 25.942 8.458 0.00 0.00 -ATOM 9779 H1 H2O C3260 51.137 25.588 8.346 0.00 0.00 -ATOM 9780 H2 H2O C3260 52.303 26.510 7.670 0.00 0.00 -ATOM 9781 O1 H2O C3261 25.074 4.862 51.190 0.00 0.00 -ATOM 9782 H1 H2O C3261 25.577 5.447 51.826 0.00 0.00 -ATOM 9783 H2 H2O C3261 24.092 5.014 51.301 0.00 0.00 -ATOM 9784 O1 H2O C3262 31.550 37.600 28.228 0.00 0.00 -ATOM 9785 H1 H2O C3262 31.448 38.039 29.120 0.00 0.00 -ATOM 9786 H2 H2O C3262 32.316 36.958 28.258 0.00 0.00 -ATOM 9787 O1 H2O C3263 28.145 17.262 41.674 0.00 0.00 -ATOM 9788 H1 H2O C3263 27.911 18.206 41.905 0.00 0.00 -ATOM 9789 H2 H2O C3263 27.395 16.851 41.155 0.00 0.00 -ATOM 9790 O1 H2O C3264 47.021 2.213 29.270 0.00 0.00 -ATOM 9791 H1 H2O C3264 47.212 3.195 29.269 0.00 0.00 -ATOM 9792 H2 H2O C3264 47.594 1.762 28.584 0.00 0.00 -ATOM 9793 O1 H2O C3265 54.470 16.629 12.721 0.00 0.00 -ATOM 9794 H1 H2O C3265 53.710 16.072 13.057 0.00 0.00 -ATOM 9795 H2 H2O C3265 54.113 17.372 12.154 0.00 0.00 -ATOM 9796 O1 H2O C3266 42.307 56.398 51.385 0.00 0.00 -ATOM 9797 H1 H2O C3266 42.423 56.416 52.378 0.00 0.00 -ATOM 9798 H2 H2O C3266 42.700 55.555 51.019 0.00 0.00 -ATOM 9799 O1 H2O C3267 54.250 13.481 3.210 0.00 0.00 -ATOM 9800 H1 H2O C3267 54.454 12.816 2.491 0.00 0.00 -ATOM 9801 H2 H2O C3267 53.563 13.100 3.830 0.00 0.00 -ATOM 9802 O1 H2O C3268 45.436 52.054 0.756 0.00 0.00 -ATOM 9803 H1 H2O C3268 46.085 52.677 1.194 0.00 0.00 -ATOM 9804 H2 H2O C3268 44.968 52.531 0.011 0.00 0.00 -ATOM 9805 O1 H2O C3269 10.639 46.169 19.424 0.00 0.00 -ATOM 9806 H1 H2O C3269 9.725 46.574 19.447 0.00 0.00 -ATOM 9807 H2 H2O C3269 10.879 45.940 18.481 0.00 0.00 -ATOM 9808 O1 H2O C3270 15.806 38.927 40.911 0.00 0.00 -ATOM 9809 H1 H2O C3270 16.358 39.759 40.958 0.00 0.00 -ATOM 9810 H2 H2O C3270 16.345 38.151 41.241 0.00 0.00 -ATOM 9811 O1 H2O C3271 55.040 37.053 58.915 0.00 0.00 -ATOM 9812 H1 H2O C3271 54.973 36.358 59.631 0.00 0.00 -ATOM 9813 H2 H2O C3271 55.844 36.872 58.349 0.00 0.00 -ATOM 9814 O1 H2O C3272 11.250 4.250 9.197 0.00 0.00 -ATOM 9815 H1 H2O C3272 11.555 5.037 8.660 0.00 0.00 -ATOM 9816 H2 H2O C3272 10.337 3.975 8.894 0.00 0.00 -ATOM 9817 O1 H2O C3273 54.524 58.806 19.268 0.00 0.00 -ATOM 9818 H1 H2O C3273 55.422 59.060 18.908 0.00 0.00 -ATOM 9819 H2 H2O C3273 54.578 57.900 19.689 0.00 0.00 -ATOM 9820 O1 H2O C3274 52.078 17.370 17.683 0.00 0.00 -ATOM 9821 H1 H2O C3274 52.594 17.511 16.838 0.00 0.00 -ATOM 9822 H2 H2O C3274 51.243 16.856 17.482 0.00 0.00 -ATOM 9823 O1 H2O C3275 49.376 49.575 11.234 0.00 0.00 -ATOM 9824 H1 H2O C3275 50.332 49.626 10.942 0.00 0.00 -ATOM 9825 H2 H2O C3275 49.335 49.539 12.233 0.00 0.00 -ATOM 9826 O1 H2O C3276 2.535 17.633 50.611 0.00 0.00 -ATOM 9827 H1 H2O C3276 2.147 17.684 49.691 0.00 0.00 -ATOM 9828 H2 H2O C3276 2.435 18.519 51.064 0.00 0.00 -ATOM 9829 O1 H2O C3277 33.891 42.172 11.376 0.00 0.00 -ATOM 9830 H1 H2O C3277 34.004 41.184 11.269 0.00 0.00 -ATOM 9831 H2 H2O C3277 34.244 42.454 12.268 0.00 0.00 -ATOM 9832 O1 H2O C3278 59.305 24.930 9.418 0.00 0.00 -ATOM 9833 H1 H2O C3278 59.873 24.318 8.868 0.00 0.00 -ATOM 9834 H2 H2O C3278 58.725 24.389 10.026 0.00 0.00 -ATOM 9835 O1 H2O C3279 56.510 7.108 3.985 0.00 0.00 -ATOM 9836 H1 H2O C3279 55.868 7.849 4.179 0.00 0.00 -ATOM 9837 H2 H2O C3279 57.440 7.408 4.198 0.00 0.00 -ATOM 9838 O1 H2O C3280 7.105 48.411 18.647 0.00 0.00 -ATOM 9839 H1 H2O C3280 6.781 49.336 18.843 0.00 0.00 -ATOM 9840 H2 H2O C3280 7.966 48.460 18.140 0.00 0.00 -ATOM 9841 O1 H2O C3281 40.616 46.163 6.762 0.00 0.00 -ATOM 9842 H1 H2O C3281 41.351 46.807 6.975 0.00 0.00 -ATOM 9843 H2 H2O C3281 40.935 45.229 6.924 0.00 0.00 -ATOM 9844 O1 H2O C3282 10.316 33.429 35.186 0.00 0.00 -ATOM 9845 H1 H2O C3282 10.523 34.085 34.461 0.00 0.00 -ATOM 9846 H2 H2O C3282 9.325 33.317 35.262 0.00 0.00 -ATOM 9847 O1 H2O C3283 32.220 39.908 11.592 0.00 0.00 -ATOM 9848 H1 H2O C3283 32.300 39.020 11.138 0.00 0.00 -ATOM 9849 H2 H2O C3283 31.265 40.070 11.840 0.00 0.00 -ATOM 9850 O1 H2O C3284 22.746 39.886 5.619 0.00 0.00 -ATOM 9851 H1 H2O C3284 23.506 40.524 5.486 0.00 0.00 -ATOM 9852 H2 H2O C3284 22.954 39.021 5.163 0.00 0.00 -ATOM 9853 O1 H2O C3285 26.717 34.295 40.611 0.00 0.00 -ATOM 9854 H1 H2O C3285 27.294 35.109 40.680 0.00 0.00 -ATOM 9855 H2 H2O C3285 26.036 34.430 39.891 0.00 0.00 -ATOM 9856 O1 H2O C3286 47.648 52.259 3.436 0.00 0.00 -ATOM 9857 H1 H2O C3286 46.926 52.888 3.723 0.00 0.00 -ATOM 9858 H2 H2O C3286 48.534 52.720 3.492 0.00 0.00 -ATOM 9859 O1 H2O C3287 12.263 8.971 56.099 0.00 0.00 -ATOM 9860 H1 H2O C3287 13.258 8.870 56.069 0.00 0.00 -ATOM 9861 H2 H2O C3287 11.930 9.257 55.201 0.00 0.00 -ATOM 9862 O1 H2O C3288 22.454 7.253 42.633 0.00 0.00 -ATOM 9863 H1 H2O C3288 22.297 7.296 41.646 0.00 0.00 -ATOM 9864 H2 H2O C3288 23.119 7.952 42.895 0.00 0.00 -ATOM 9865 O1 H2O C3289 18.594 22.088 9.654 0.00 0.00 -ATOM 9866 H1 H2O C3289 19.222 22.676 10.162 0.00 0.00 -ATOM 9867 H2 H2O C3289 18.445 22.469 8.742 0.00 0.00 -ATOM 9868 O1 H2O C3290 33.176 23.465 55.987 0.00 0.00 -ATOM 9869 H1 H2O C3290 33.589 24.059 56.679 0.00 0.00 -ATOM 9870 H2 H2O C3290 32.613 24.016 55.370 0.00 0.00 -ATOM 9871 O1 H2O C3291 39.321 4.756 50.300 0.00 0.00 -ATOM 9872 H1 H2O C3291 39.093 3.782 50.336 0.00 0.00 -ATOM 9873 H2 H2O C3291 38.631 5.278 50.802 0.00 0.00 -ATOM 9874 O1 H2O C3292 3.276 57.541 16.932 0.00 0.00 -ATOM 9875 H1 H2O C3292 3.124 58.445 17.333 0.00 0.00 -ATOM 9876 H2 H2O C3292 3.942 57.613 16.190 0.00 0.00 -ATOM 9877 O1 H2O C3293 8.678 17.493 39.918 0.00 0.00 -ATOM 9878 H1 H2O C3293 8.151 16.664 39.729 0.00 0.00 -ATOM 9879 H2 H2O C3293 8.053 18.261 40.056 0.00 0.00 -ATOM 9880 O1 H2O C3294 31.679 59.819 14.352 0.00 0.00 -ATOM 9881 H1 H2O C3294 31.691 59.886 15.350 0.00 0.00 -ATOM 9882 H2 H2O C3294 30.845 59.352 14.059 0.00 0.00 -ATOM 9883 O1 H2O C3295 12.365 12.582 33.578 0.00 0.00 -ATOM 9884 H1 H2O C3295 11.543 12.383 34.111 0.00 0.00 -ATOM 9885 H2 H2O C3295 13.159 12.602 34.185 0.00 0.00 -ATOM 9886 O1 H2O C3296 18.877 38.213 36.424 0.00 0.00 -ATOM 9887 H1 H2O C3296 17.927 37.974 36.218 0.00 0.00 -ATOM 9888 H2 H2O C3296 19.455 37.984 35.641 0.00 0.00 -ATOM 9889 O1 H2O C3297 40.539 0.628 35.712 0.00 0.00 -ATOM 9890 H1 H2O C3297 39.723 1.018 36.139 0.00 0.00 -ATOM 9891 H2 H2O C3297 41.322 1.227 35.880 0.00 0.00 -ATOM 9892 O1 H2O C3298 26.899 24.422 30.539 0.00 0.00 -ATOM 9893 H1 H2O C3298 26.954 25.191 29.902 0.00 0.00 -ATOM 9894 H2 H2O C3298 27.569 24.549 31.272 0.00 0.00 -ATOM 9895 O1 H2O C3299 7.721 52.119 39.493 0.00 0.00 -ATOM 9896 H1 H2O C3299 7.813 52.500 40.414 0.00 0.00 -ATOM 9897 H2 H2O C3299 6.914 52.512 39.050 0.00 0.00 -ATOM 9898 O1 H2O C3300 59.523 11.128 29.397 0.00 0.00 -ATOM 9899 H1 H2O C3300 60.458 11.289 29.082 0.00 0.00 -ATOM 9900 H2 H2O C3300 59.121 10.375 28.877 0.00 0.00 -ATOM 9901 O1 H2O C3301 3.884 2.513 2.572 0.00 0.00 -ATOM 9902 H1 H2O C3301 4.825 2.492 2.232 0.00 0.00 -ATOM 9903 H2 H2O C3301 3.286 2.041 1.924 0.00 0.00 -ATOM 9904 O1 H2O C3302 2.770 56.567 45.692 0.00 0.00 -ATOM 9905 H1 H2O C3302 3.134 57.063 44.903 0.00 0.00 -ATOM 9906 H2 H2O C3302 3.023 55.601 45.623 0.00 0.00 -ATOM 9907 O1 H2O C3303 27.091 51.628 38.337 0.00 0.00 -ATOM 9908 H1 H2O C3303 26.202 52.002 38.601 0.00 0.00 -ATOM 9909 H2 H2O C3303 27.713 52.377 38.106 0.00 0.00 -ATOM 9910 O1 H2O C3304 34.042 7.707 29.640 0.00 0.00 -ATOM 9911 H1 H2O C3304 33.719 8.634 29.829 0.00 0.00 -ATOM 9912 H2 H2O C3304 33.966 7.152 30.468 0.00 0.00 -ATOM 9913 O1 H2O C3305 0.490 22.479 46.617 0.00 0.00 -ATOM 9914 H1 H2O C3305 0.991 22.344 47.472 0.00 0.00 -ATOM 9915 H2 H2O C3305 -0.063 23.310 46.683 0.00 0.00 -ATOM 9916 O1 H2O C3306 19.065 43.412 50.257 0.00 0.00 -ATOM 9917 H1 H2O C3306 18.567 43.489 51.121 0.00 0.00 -ATOM 9918 H2 H2O C3306 19.983 43.794 50.367 0.00 0.00 -ATOM 9919 O1 H2O C3307 9.500 12.084 2.976 0.00 0.00 -ATOM 9920 H1 H2O C3307 8.795 12.364 2.324 0.00 0.00 -ATOM 9921 H2 H2O C3307 9.284 11.175 3.331 0.00 0.00 -ATOM 9922 O1 H2O C3308 16.391 27.384 7.531 0.00 0.00 -ATOM 9923 H1 H2O C3308 16.091 28.318 7.724 0.00 0.00 -ATOM 9924 H2 H2O C3308 16.194 26.802 8.320 0.00 0.00 -ATOM 9925 O1 H2O C3309 10.877 4.861 39.563 0.00 0.00 -ATOM 9926 H1 H2O C3309 10.003 5.343 39.495 0.00 0.00 -ATOM 9927 H2 H2O C3309 11.053 4.625 40.519 0.00 0.00 -ATOM 9928 O1 H2O C3310 57.023 6.380 23.709 0.00 0.00 -ATOM 9929 H1 H2O C3310 56.646 6.983 24.412 0.00 0.00 -ATOM 9930 H2 H2O C3310 56.464 5.553 23.644 0.00 0.00 -ATOM 9931 O1 H2O C3311 43.336 38.045 33.960 0.00 0.00 -ATOM 9932 H1 H2O C3311 42.599 37.370 33.922 0.00 0.00 -ATOM 9933 H2 H2O C3311 44.217 37.574 34.007 0.00 0.00 -ATOM 9934 O1 H2O C3312 27.698 18.525 29.020 0.00 0.00 -ATOM 9935 H1 H2O C3312 27.875 18.872 29.941 0.00 0.00 -ATOM 9936 H2 H2O C3312 26.713 18.406 28.893 0.00 0.00 -ATOM 9937 O1 H2O C3313 55.701 13.115 40.457 0.00 0.00 -ATOM 9938 H1 H2O C3313 55.774 12.123 40.572 0.00 0.00 -ATOM 9939 H2 H2O C3313 54.872 13.329 39.940 0.00 0.00 -ATOM 9940 O1 H2O C3314 44.490 28.267 23.815 0.00 0.00 -ATOM 9941 H1 H2O C3314 44.030 27.416 24.067 0.00 0.00 -ATOM 9942 H2 H2O C3314 43.820 28.912 23.448 0.00 0.00 -ATOM 9943 O1 H2O C3315 30.539 55.033 3.946 0.00 0.00 -ATOM 9944 H1 H2O C3315 30.487 54.905 2.955 0.00 0.00 -ATOM 9945 H2 H2O C3315 31.084 55.847 4.148 0.00 0.00 -ATOM 9946 O1 H2O C3316 9.838 8.420 34.666 0.00 0.00 -ATOM 9947 H1 H2O C3316 9.493 9.287 35.024 0.00 0.00 -ATOM 9948 H2 H2O C3316 9.563 8.320 33.710 0.00 0.00 -ATOM 9949 O1 H2O C3317 0.465 15.794 41.930 0.00 0.00 -ATOM 9950 H1 H2O C3317 -0.295 16.113 42.496 0.00 0.00 -ATOM 9951 H2 H2O C3317 1.281 15.687 42.498 0.00 0.00 -ATOM 9952 O1 H2O C3318 57.196 11.899 44.329 0.00 0.00 -ATOM 9953 H1 H2O C3318 57.806 12.468 44.880 0.00 0.00 -ATOM 9954 H2 H2O C3318 56.423 11.600 44.889 0.00 0.00 -ATOM 9955 O1 H2O C3319 3.897 10.136 6.244 0.00 0.00 -ATOM 9956 H1 H2O C3319 3.556 9.253 6.565 0.00 0.00 -ATOM 9957 H2 H2O C3319 4.889 10.175 6.368 0.00 0.00 -ATOM 9958 O1 H2O C3320 38.855 2.172 13.007 0.00 0.00 -ATOM 9959 H1 H2O C3320 38.927 2.107 12.011 0.00 0.00 -ATOM 9960 H2 H2O C3320 39.448 1.487 13.429 0.00 0.00 -ATOM 9961 O1 H2O C3321 48.971 22.554 39.536 0.00 0.00 -ATOM 9962 H1 H2O C3321 48.052 22.214 39.739 0.00 0.00 -ATOM 9963 H2 H2O C3321 49.593 22.292 40.275 0.00 0.00 -ATOM 9964 O1 H2O C3322 22.072 0.846 33.928 0.00 0.00 -ATOM 9965 H1 H2O C3322 21.909 0.408 33.044 0.00 0.00 -ATOM 9966 H2 H2O C3322 22.613 1.677 33.793 0.00 0.00 -ATOM 9967 O1 H2O C3323 21.460 34.655 24.358 0.00 0.00 -ATOM 9968 H1 H2O C3323 21.539 35.592 24.699 0.00 0.00 -ATOM 9969 H2 H2O C3323 21.801 34.612 23.419 0.00 0.00 -ATOM 9970 O1 H2O C3324 18.314 10.968 11.974 0.00 0.00 -ATOM 9971 H1 H2O C3324 18.382 10.707 12.937 0.00 0.00 -ATOM 9972 H2 H2O C3324 17.562 11.619 11.859 0.00 0.00 -ATOM 9973 O1 H2O C3325 8.931 28.755 51.245 0.00 0.00 -ATOM 9974 H1 H2O C3325 9.429 29.077 52.050 0.00 0.00 -ATOM 9975 H2 H2O C3325 8.954 29.459 50.536 0.00 0.00 -ATOM 9976 O1 H2O C3326 13.145 14.899 5.301 0.00 0.00 -ATOM 9977 H1 H2O C3326 13.098 14.962 4.304 0.00 0.00 -ATOM 9978 H2 H2O C3326 12.226 14.769 5.671 0.00 0.00 -ATOM 9979 O1 H2O C3327 31.453 19.641 57.186 0.00 0.00 -ATOM 9980 H1 H2O C3327 32.113 18.933 57.438 0.00 0.00 -ATOM 9981 H2 H2O C3327 30.526 19.309 57.360 0.00 0.00 -ATOM 9982 O1 H2O C3328 51.621 12.797 5.871 0.00 0.00 -ATOM 9983 H1 H2O C3328 51.735 13.773 6.058 0.00 0.00 -ATOM 9984 H2 H2O C3328 52.517 12.352 5.865 0.00 0.00 -ATOM 9985 O1 H2O C3329 28.611 43.363 14.827 0.00 0.00 -ATOM 9986 H1 H2O C3329 28.286 42.512 14.416 0.00 0.00 -ATOM 9987 H2 H2O C3329 29.065 43.163 15.695 0.00 0.00 -ATOM 9988 O1 H2O C3330 40.993 12.242 36.850 0.00 0.00 -ATOM 9989 H1 H2O C3330 40.646 11.977 35.951 0.00 0.00 -ATOM 9990 H2 H2O C3330 41.678 12.963 36.744 0.00 0.00 -ATOM 9991 O1 H2O C3331 13.172 8.375 4.288 0.00 0.00 -ATOM 9992 H1 H2O C3331 12.318 8.586 3.813 0.00 0.00 -ATOM 9993 H2 H2O C3331 13.801 9.147 4.202 0.00 0.00 -ATOM 9994 O1 H2O C3332 17.275 18.802 0.786 0.00 0.00 -ATOM 9995 H1 H2O C3332 18.202 18.642 0.447 0.00 0.00 -ATOM 9996 H2 H2O C3332 16.653 18.130 0.384 0.00 0.00 -ATOM 9997 O1 H2O C3333 10.852 2.709 24.172 0.00 0.00 -ATOM 9998 H1 H2O C3333 9.961 3.006 24.514 0.00 0.00 -ATOM 9999 H2 H2O C3333 10.967 3.020 23.228 0.00 0.00 -ATOM 10000 O1 H2O C3334 49.741 39.288 21.659 0.00 0.00 -ATOM 10001 H1 H2O C3334 49.205 38.754 21.004 0.00 0.00 -ATOM 10002 H2 H2O C3334 49.608 40.264 21.479 0.00 0.00 -ATOM 10003 O1 H2O C3335 20.321 58.938 51.004 0.00 0.00 -ATOM 10004 H1 H2O C3335 19.464 59.310 51.359 0.00 0.00 -ATOM 10005 H2 H2O C3335 20.264 57.940 50.973 0.00 0.00 -ATOM 10006 O1 H2O C3336 42.348 52.178 56.578 0.00 0.00 -ATOM 10007 H1 H2O C3336 41.887 51.294 56.667 0.00 0.00 -ATOM 10008 H2 H2O C3336 43.072 52.246 57.265 0.00 0.00 -ATOM 10009 O1 H2O C3337 4.866 41.359 50.757 0.00 0.00 -ATOM 10010 H1 H2O C3337 4.240 41.404 49.979 0.00 0.00 -ATOM 10011 H2 H2O C3337 5.153 42.285 51.007 0.00 0.00 -ATOM 10012 O1 H2O C3338 46.532 54.463 44.031 0.00 0.00 -ATOM 10013 H1 H2O C3338 46.034 53.595 44.014 0.00 0.00 -ATOM 10014 H2 H2O C3338 46.871 54.633 44.957 0.00 0.00 -ATOM 10015 O1 H2O C3339 24.694 57.547 7.262 0.00 0.00 -ATOM 10016 H1 H2O C3339 24.920 56.831 7.924 0.00 0.00 -ATOM 10017 H2 H2O C3339 25.531 58.025 6.992 0.00 0.00 -ATOM 10018 O1 H2O C3340 3.501 11.473 27.076 0.00 0.00 -ATOM 10019 H1 H2O C3340 4.013 11.758 27.887 0.00 0.00 -ATOM 10020 H2 H2O C3340 2.527 11.647 27.220 0.00 0.00 -ATOM 10021 O1 H2O C3341 25.099 4.719 14.573 0.00 0.00 -ATOM 10022 H1 H2O C3341 25.296 5.595 14.133 0.00 0.00 -ATOM 10023 H2 H2O C3341 25.943 4.340 14.953 0.00 0.00 -ATOM 10024 O1 H2O C3342 58.463 21.273 57.395 0.00 0.00 -ATOM 10025 H1 H2O C3342 58.270 22.251 57.479 0.00 0.00 -ATOM 10026 H2 H2O C3342 58.113 20.939 56.519 0.00 0.00 -ATOM 10027 O1 H2O C3343 55.280 45.104 11.845 0.00 0.00 -ATOM 10028 H1 H2O C3343 54.579 45.529 11.272 0.00 0.00 -ATOM 10029 H2 H2O C3343 55.181 45.426 12.787 0.00 0.00 -ATOM 10030 O1 H2O C3344 35.312 17.376 9.879 0.00 0.00 -ATOM 10031 H1 H2O C3344 35.928 18.164 9.895 0.00 0.00 -ATOM 10032 H2 H2O C3344 34.573 17.519 10.538 0.00 0.00 -ATOM 10033 O1 H2O C3345 45.240 41.566 38.337 0.00 0.00 -ATOM 10034 H1 H2O C3345 44.964 41.900 37.436 0.00 0.00 -ATOM 10035 H2 H2O C3345 44.679 42.002 39.041 0.00 0.00 -ATOM 10036 O1 H2O C3346 52.031 37.845 7.506 0.00 0.00 -ATOM 10037 H1 H2O C3346 52.922 38.295 7.562 0.00 0.00 -ATOM 10038 H2 H2O C3346 52.108 36.908 7.845 0.00 0.00 -ATOM 10039 O1 H2O C3347 55.115 49.888 26.794 0.00 0.00 -ATOM 10040 H1 H2O C3347 54.633 50.591 26.272 0.00 0.00 -ATOM 10041 H2 H2O C3347 55.997 50.245 27.100 0.00 0.00 -ATOM 10042 O1 H2O C3348 8.838 40.044 20.504 0.00 0.00 -ATOM 10043 H1 H2O C3348 9.631 39.665 20.982 0.00 0.00 -ATOM 10044 H2 H2O C3348 8.153 39.327 20.374 0.00 0.00 -ATOM 10045 O1 H2O C3349 32.284 48.475 53.906 0.00 0.00 -ATOM 10046 H1 H2O C3349 31.788 49.250 53.516 0.00 0.00 -ATOM 10047 H2 H2O C3349 33.081 48.808 54.409 0.00 0.00 -ATOM 10048 O1 H2O C3350 25.341 50.208 34.859 0.00 0.00 -ATOM 10049 H1 H2O C3350 24.652 50.931 34.824 0.00 0.00 -ATOM 10050 H2 H2O C3350 25.194 49.568 34.105 0.00 0.00 -ATOM 10051 O1 H2O C3351 21.759 6.997 54.284 0.00 0.00 -ATOM 10052 H1 H2O C3351 20.820 6.653 54.245 0.00 0.00 -ATOM 10053 H2 H2O C3351 22.013 7.373 53.393 0.00 0.00 -ATOM 10054 O1 H2O C3352 13.196 52.056 27.820 0.00 0.00 -ATOM 10055 H1 H2O C3352 12.327 52.547 27.894 0.00 0.00 -ATOM 10056 H2 H2O C3352 13.070 51.110 28.117 0.00 0.00 -ATOM 10057 O1 H2O C3353 27.333 33.942 9.079 0.00 0.00 -ATOM 10058 H1 H2O C3353 26.433 34.265 9.370 0.00 0.00 -ATOM 10059 H2 H2O C3353 27.764 34.632 8.498 0.00 0.00 -ATOM 10060 O1 H2O C3354 1.021 16.109 49.088 0.00 0.00 -ATOM 10061 H1 H2O C3354 0.956 16.291 48.106 0.00 0.00 -ATOM 10062 H2 H2O C3354 0.180 15.667 49.401 0.00 0.00 -ATOM 10063 O1 H2O C3355 8.537 53.304 14.036 0.00 0.00 -ATOM 10064 H1 H2O C3355 8.793 54.220 13.726 0.00 0.00 -ATOM 10065 H2 H2O C3355 8.436 52.701 13.244 0.00 0.00 -ATOM 10066 O1 H2O C3356 50.789 29.329 7.467 0.00 0.00 -ATOM 10067 H1 H2O C3356 50.902 28.757 8.280 0.00 0.00 -ATOM 10068 H2 H2O C3356 50.092 28.927 6.872 0.00 0.00 -ATOM 10069 O1 H2O C3357 51.283 39.662 10.224 0.00 0.00 -ATOM 10070 H1 H2O C3357 52.007 40.165 10.696 0.00 0.00 -ATOM 10071 H2 H2O C3357 51.196 38.749 10.624 0.00 0.00 -ATOM 10072 O1 H2O C3358 4.840 54.095 54.288 0.00 0.00 -ATOM 10073 H1 H2O C3358 5.296 53.547 53.587 0.00 0.00 -ATOM 10074 H2 H2O C3358 4.706 53.541 55.110 0.00 0.00 -ATOM 10075 O1 H2O C3359 37.741 21.457 19.207 0.00 0.00 -ATOM 10076 H1 H2O C3359 37.626 22.321 19.697 0.00 0.00 -ATOM 10077 H2 H2O C3359 36.849 21.024 19.080 0.00 0.00 -ATOM 10078 O1 H2O C3360 21.796 14.755 27.966 0.00 0.00 -ATOM 10079 H1 H2O C3360 22.617 14.289 27.636 0.00 0.00 -ATOM 10080 H2 H2O C3360 21.660 14.546 28.934 0.00 0.00 -ATOM 10081 O1 H2O C3361 16.379 30.755 40.789 0.00 0.00 -ATOM 10082 H1 H2O C3361 15.990 31.628 41.085 0.00 0.00 -ATOM 10083 H2 H2O C3361 16.963 30.905 39.990 0.00 0.00 -ATOM 10084 O1 H2O C3362 23.226 10.577 24.332 0.00 0.00 -ATOM 10085 H1 H2O C3362 22.507 9.900 24.173 0.00 0.00 -ATOM 10086 H2 H2O C3362 23.508 10.543 25.291 0.00 0.00 -ATOM 10087 O1 H2O C3363 11.510 32.460 13.827 0.00 0.00 -ATOM 10088 H1 H2O C3363 11.715 33.400 13.556 0.00 0.00 -ATOM 10089 H2 H2O C3363 11.443 32.407 14.823 0.00 0.00 -ATOM 10090 O1 H2O C3364 4.947 51.952 42.224 0.00 0.00 -ATOM 10091 H1 H2O C3364 4.017 52.249 42.010 0.00 0.00 -ATOM 10092 H2 H2O C3364 5.598 52.644 41.915 0.00 0.00 -ATOM 10093 O1 H2O C3365 45.481 48.756 41.888 0.00 0.00 -ATOM 10094 H1 H2O C3365 45.626 48.058 42.590 0.00 0.00 -ATOM 10095 H2 H2O C3365 44.668 49.292 42.114 0.00 0.00 -ATOM 10096 O1 H2O C3366 24.166 41.518 49.529 0.00 0.00 -ATOM 10097 H1 H2O C3366 24.010 41.020 50.382 0.00 0.00 -ATOM 10098 H2 H2O C3366 23.798 40.991 48.763 0.00 0.00 -ATOM 10099 O1 H2O C3367 49.976 44.330 41.433 0.00 0.00 -ATOM 10100 H1 H2O C3367 50.752 44.747 40.960 0.00 0.00 -ATOM 10101 H2 H2O C3367 49.124 44.622 40.997 0.00 0.00 -ATOM 10102 O1 H2O C3368 11.928 11.579 17.644 0.00 0.00 -ATOM 10103 H1 H2O C3368 11.357 10.851 18.024 0.00 0.00 -ATOM 10104 H2 H2O C3368 11.853 12.395 18.217 0.00 0.00 -ATOM 10105 O1 H2O C3369 14.577 29.778 5.766 0.00 0.00 -ATOM 10106 H1 H2O C3369 14.757 29.235 6.586 0.00 0.00 -ATOM 10107 H2 H2O C3369 14.021 29.244 5.129 0.00 0.00 -ATOM 10108 O1 H2O C3370 40.899 35.123 32.957 0.00 0.00 -ATOM 10109 H1 H2O C3370 40.969 34.269 33.472 0.00 0.00 -ATOM 10110 H2 H2O C3370 41.121 34.953 31.997 0.00 0.00 -ATOM 10111 O1 H2O C3371 11.790 12.006 38.262 0.00 0.00 -ATOM 10112 H1 H2O C3371 11.247 11.183 38.435 0.00 0.00 -ATOM 10113 H2 H2O C3371 11.910 12.123 37.276 0.00 0.00 -ATOM 10114 O1 H2O C3372 10.535 51.608 2.024 0.00 0.00 -ATOM 10115 H1 H2O C3372 9.920 51.624 1.236 0.00 0.00 -ATOM 10116 H2 H2O C3372 11.204 50.873 1.911 0.00 0.00 -ATOM 10117 O1 H2O C3373 39.963 10.077 52.097 0.00 0.00 -ATOM 10118 H1 H2O C3373 40.452 10.875 52.450 0.00 0.00 -ATOM 10119 H2 H2O C3373 39.176 9.883 52.684 0.00 0.00 -ATOM 10120 O1 H2O C3374 21.246 43.640 46.707 0.00 0.00 -ATOM 10121 H1 H2O C3374 20.575 42.912 46.565 0.00 0.00 -ATOM 10122 H2 H2O C3374 21.695 43.513 47.591 0.00 0.00 -ATOM 10123 O1 H2O C3375 56.620 4.495 2.090 0.00 0.00 -ATOM 10124 H1 H2O C3375 56.154 5.208 2.614 0.00 0.00 -ATOM 10125 H2 H2O C3375 57.592 4.490 2.327 0.00 0.00 -ATOM 10126 O1 H2O C3376 25.340 27.200 35.836 0.00 0.00 -ATOM 10127 H1 H2O C3376 25.071 27.178 34.873 0.00 0.00 -ATOM 10128 H2 H2O C3376 24.674 26.689 36.380 0.00 0.00 -ATOM 10129 O1 H2O C3377 50.672 9.712 60.072 0.00 0.00 -ATOM 10130 H1 H2O C3377 50.343 9.500 59.152 0.00 0.00 -ATOM 10131 H2 H2O C3377 50.478 10.670 60.283 0.00 0.00 -ATOM 10132 O1 H2O C3378 12.887 36.935 42.109 0.00 0.00 -ATOM 10133 H1 H2O C3378 12.190 37.497 42.555 0.00 0.00 -ATOM 10134 H2 H2O C3378 12.512 36.029 41.915 0.00 0.00 -ATOM 10135 O1 H2O C3379 53.393 42.424 49.974 0.00 0.00 -ATOM 10136 H1 H2O C3379 54.332 42.766 49.953 0.00 0.00 -ATOM 10137 H2 H2O C3379 52.973 42.656 50.851 0.00 0.00 -ATOM 10138 O1 H2O C3380 57.457 37.647 56.530 0.00 0.00 -ATOM 10139 H1 H2O C3380 57.320 38.017 57.449 0.00 0.00 -ATOM 10140 H2 H2O C3380 57.890 36.748 56.594 0.00 0.00 -ATOM 10141 O1 H2O C3381 13.359 6.058 43.018 0.00 0.00 -ATOM 10142 H1 H2O C3381 12.503 5.785 43.458 0.00 0.00 -ATOM 10143 H2 H2O C3381 13.301 5.879 42.036 0.00 0.00 -ATOM 10144 O1 H2O C3382 56.714 41.627 17.176 0.00 0.00 -ATOM 10145 H1 H2O C3382 56.654 40.922 16.470 0.00 0.00 -ATOM 10146 H2 H2O C3382 57.417 42.293 16.924 0.00 0.00 -ATOM 10147 O1 H2O C3383 22.748 26.296 27.064 0.00 0.00 -ATOM 10148 H1 H2O C3383 23.383 27.067 27.011 0.00 0.00 -ATOM 10149 H2 H2O C3383 22.275 26.193 26.189 0.00 0.00 -ATOM 10150 O1 H2O C3384 14.947 22.067 52.932 0.00 0.00 -ATOM 10151 H1 H2O C3384 15.793 21.578 53.145 0.00 0.00 -ATOM 10152 H2 H2O C3384 15.117 22.723 52.197 0.00 0.00 -ATOM 10153 O1 H2O C3385 15.426 16.563 56.827 0.00 0.00 -ATOM 10154 H1 H2O C3385 15.379 17.435 56.340 0.00 0.00 -ATOM 10155 H2 H2O C3385 16.228 16.052 56.520 0.00 0.00 -ATOM 10156 O1 H2O C3386 34.662 52.008 30.986 0.00 0.00 -ATOM 10157 H1 H2O C3386 35.498 52.103 30.444 0.00 0.00 -ATOM 10158 H2 H2O C3386 34.748 52.545 31.826 0.00 0.00 -ATOM 10159 O1 H2O C3387 49.522 46.457 39.676 0.00 0.00 -ATOM 10160 H1 H2O C3387 49.989 45.582 39.810 0.00 0.00 -ATOM 10161 H2 H2O C3387 48.559 46.290 39.464 0.00 0.00 -ATOM 10162 O1 H2O C3388 57.824 1.481 56.000 0.00 0.00 -ATOM 10163 H1 H2O C3388 56.834 1.425 55.865 0.00 0.00 -ATOM 10164 H2 H2O C3388 58.019 2.069 56.785 0.00 0.00 -ATOM 10165 O1 H2O C3389 33.819 1.491 29.464 0.00 0.00 -ATOM 10166 H1 H2O C3389 33.830 1.923 30.366 0.00 0.00 -ATOM 10167 H2 H2O C3389 34.743 1.192 29.227 0.00 0.00 -ATOM 10168 O1 H2O C3390 15.225 6.842 10.911 0.00 0.00 -ATOM 10169 H1 H2O C3390 15.924 6.525 10.269 0.00 0.00 -ATOM 10170 H2 H2O C3390 15.295 6.323 11.763 0.00 0.00 -ATOM 10171 O1 H2O C3391 40.706 10.668 8.147 0.00 0.00 -ATOM 10172 H1 H2O C3391 40.337 11.460 8.634 0.00 0.00 -ATOM 10173 H2 H2O C3391 41.705 10.688 8.188 0.00 0.00 -ATOM 10174 O1 H2O C3392 36.409 38.042 17.436 0.00 0.00 -ATOM 10175 H1 H2O C3392 37.039 37.622 18.088 0.00 0.00 -ATOM 10176 H2 H2O C3392 35.575 37.493 17.377 0.00 0.00 -ATOM 10177 O1 H2O C3393 5.988 9.515 43.615 0.00 0.00 -ATOM 10178 H1 H2O C3393 6.799 9.803 44.124 0.00 0.00 -ATOM 10179 H2 H2O C3393 6.256 9.220 42.698 0.00 0.00 -ATOM 10180 O1 H2O C3394 59.835 28.646 46.817 0.00 0.00 -ATOM 10181 H1 H2O C3394 59.707 29.600 47.089 0.00 0.00 -ATOM 10182 H2 H2O C3394 60.059 28.097 47.623 0.00 0.00 -ATOM 10183 O1 H2O C3395 37.533 37.125 46.848 0.00 0.00 -ATOM 10184 H1 H2O C3395 36.944 36.434 46.429 0.00 0.00 -ATOM 10185 H2 H2O C3395 37.738 37.838 46.178 0.00 0.00 -ATOM 10186 O1 H2O C3396 11.975 17.645 1.808 0.00 0.00 -ATOM 10187 H1 H2O C3396 10.979 17.554 1.762 0.00 0.00 -ATOM 10188 H2 H2O C3396 12.328 17.894 0.905 0.00 0.00 -ATOM 10189 O1 H2O C3397 17.518 6.849 1.454 0.00 0.00 -ATOM 10190 H1 H2O C3397 17.654 7.836 1.536 0.00 0.00 -ATOM 10191 H2 H2O C3397 18.379 6.377 1.647 0.00 0.00 -ATOM 10192 O1 H2O C3398 2.487 59.548 15.860 0.00 0.00 -ATOM 10193 H1 H2O C3398 2.400 58.563 16.007 0.00 0.00 -ATOM 10194 H2 H2O C3398 3.367 59.745 15.428 0.00 0.00 -ATOM 10195 O1 H2O C3399 49.294 23.430 18.874 0.00 0.00 -ATOM 10196 H1 H2O C3399 48.433 22.966 18.663 0.00 0.00 -ATOM 10197 H2 H2O C3399 49.842 22.855 19.481 0.00 0.00 -ATOM 10198 O1 H2O C3400 10.087 9.183 1.860 0.00 0.00 -ATOM 10199 H1 H2O C3400 9.606 8.307 1.890 0.00 0.00 -ATOM 10200 H2 H2O C3400 9.433 9.927 2.001 0.00 0.00 -ATOM 10201 O1 H2O C3401 6.973 12.781 42.567 0.00 0.00 -ATOM 10202 H1 H2O C3401 7.716 12.163 42.824 0.00 0.00 -ATOM 10203 H2 H2O C3401 6.857 12.769 41.573 0.00 0.00 -ATOM 10204 O1 H2O C3402 54.187 47.031 34.350 0.00 0.00 -ATOM 10205 H1 H2O C3402 55.106 47.262 34.028 0.00 0.00 -ATOM 10206 H2 H2O C3402 53.621 47.855 34.357 0.00 0.00 -ATOM 10207 O1 H2O C3403 26.302 36.012 57.313 0.00 0.00 -ATOM 10208 H1 H2O C3403 25.702 35.246 57.543 0.00 0.00 -ATOM 10209 H2 H2O C3403 27.242 35.684 57.225 0.00 0.00 -ATOM 10210 O1 H2O C3404 40.832 22.072 56.401 0.00 0.00 -ATOM 10211 H1 H2O C3404 41.304 21.850 57.254 0.00 0.00 -ATOM 10212 H2 H2O C3404 41.495 22.406 55.730 0.00 0.00 -ATOM 10213 O1 H2O C3405 17.169 58.429 11.284 0.00 0.00 -ATOM 10214 H1 H2O C3405 17.662 57.591 11.052 0.00 0.00 -ATOM 10215 H2 H2O C3405 17.743 59.221 11.075 0.00 0.00 -ATOM 10216 O1 H2O C3406 38.630 31.354 21.946 0.00 0.00 -ATOM 10217 H1 H2O C3406 37.648 31.272 22.115 0.00 0.00 -ATOM 10218 H2 H2O C3406 38.803 32.146 21.361 0.00 0.00 -ATOM 10219 O1 H2O C3407 53.202 11.389 38.308 0.00 0.00 -ATOM 10220 H1 H2O C3407 54.144 11.716 38.389 0.00 0.00 -ATOM 10221 H2 H2O C3407 52.620 11.891 38.948 0.00 0.00 -ATOM 10222 O1 H2O C3408 42.057 8.387 55.783 0.00 0.00 -ATOM 10223 H1 H2O C3408 42.669 7.674 55.441 0.00 0.00 -ATOM 10224 H2 H2O C3408 41.240 7.965 56.177 0.00 0.00 -ATOM 10225 O1 H2O C3409 16.140 52.564 40.324 0.00 0.00 -ATOM 10226 H1 H2O C3409 17.105 52.818 40.262 0.00 0.00 -ATOM 10227 H2 H2O C3409 16.034 51.814 40.977 0.00 0.00 -ATOM 10228 O1 H2O C3410 8.532 52.617 55.126 0.00 0.00 -ATOM 10229 H1 H2O C3410 7.907 53.315 55.474 0.00 0.00 -ATOM 10230 H2 H2O C3410 8.016 51.793 54.894 0.00 0.00 -ATOM 10231 O1 H2O C3411 13.804 31.114 12.180 0.00 0.00 -ATOM 10232 H1 H2O C3411 12.912 31.422 11.848 0.00 0.00 -ATOM 10233 H2 H2O C3411 13.843 31.216 13.174 0.00 0.00 -ATOM 10234 O1 H2O C3412 51.511 40.591 1.761 0.00 0.00 -ATOM 10235 H1 H2O C3412 51.102 41.478 1.976 0.00 0.00 -ATOM 10236 H2 H2O C3412 52.500 40.637 1.908 0.00 0.00 -ATOM 10237 O1 H2O C3413 13.172 35.401 39.090 0.00 0.00 -ATOM 10238 H1 H2O C3413 13.814 36.163 38.998 0.00 0.00 -ATOM 10239 H2 H2O C3413 13.655 34.539 38.938 0.00 0.00 -ATOM 10240 O1 H2O C3414 16.318 15.435 12.821 0.00 0.00 -ATOM 10241 H1 H2O C3414 15.890 14.805 13.469 0.00 0.00 -ATOM 10242 H2 H2O C3414 17.221 15.088 12.565 0.00 0.00 -ATOM 10243 O1 H2O C3415 1.885 55.013 20.396 0.00 0.00 -ATOM 10244 H1 H2O C3415 2.169 54.853 19.450 0.00 0.00 -ATOM 10245 H2 H2O C3415 2.692 55.033 20.987 0.00 0.00 -ATOM 10246 O1 H2O C3416 34.676 34.405 50.906 0.00 0.00 -ATOM 10247 H1 H2O C3416 34.827 33.802 51.690 0.00 0.00 -ATOM 10248 H2 H2O C3416 34.432 33.855 50.106 0.00 0.00 -ATOM 10249 O1 H2O C3417 15.387 17.009 12.706 0.00 0.00 -ATOM 10250 H1 H2O C3417 14.457 17.368 12.640 0.00 0.00 -ATOM 10251 H2 H2O C3417 15.741 17.166 13.628 0.00 0.00 -ATOM 10252 O1 H2O C3418 13.398 9.371 35.652 0.00 0.00 -ATOM 10253 H1 H2O C3418 12.477 9.559 35.311 0.00 0.00 -ATOM 10254 H2 H2O C3418 13.577 9.936 36.457 0.00 0.00 -ATOM 10255 O1 H2O C3419 21.283 50.848 38.464 0.00 0.00 -ATOM 10256 H1 H2O C3419 22.264 50.721 38.609 0.00 0.00 -ATOM 10257 H2 H2O C3419 20.931 50.103 37.897 0.00 0.00 -ATOM 10258 O1 H2O C3420 13.125 18.595 50.411 0.00 0.00 -ATOM 10259 H1 H2O C3420 12.726 18.104 49.637 0.00 0.00 -ATOM 10260 H2 H2O C3420 13.358 19.526 50.132 0.00 0.00 -ATOM 10261 O1 H2O C3421 50.938 50.861 57.628 0.00 0.00 -ATOM 10262 H1 H2O C3421 51.792 50.514 57.241 0.00 0.00 -ATOM 10263 H2 H2O C3421 50.709 50.341 58.450 0.00 0.00 -ATOM 10264 O1 H2O C3422 35.332 44.817 48.580 0.00 0.00 -ATOM 10265 H1 H2O C3422 35.705 44.341 47.784 0.00 0.00 -ATOM 10266 H2 H2O C3422 35.920 45.593 48.810 0.00 0.00 -ATOM 10267 O1 H2O C3423 5.159 14.502 32.548 0.00 0.00 -ATOM 10268 H1 H2O C3423 6.006 14.417 33.075 0.00 0.00 -ATOM 10269 H2 H2O C3423 5.351 14.972 31.686 0.00 0.00 -ATOM 10270 O1 H2O C3424 59.486 29.587 3.080 0.00 0.00 -ATOM 10271 H1 H2O C3424 59.497 29.013 2.261 0.00 0.00 -ATOM 10272 H2 H2O C3424 60.135 29.225 3.749 0.00 0.00 -ATOM 10273 O1 H2O C3425 41.255 54.821 55.060 0.00 0.00 -ATOM 10274 H1 H2O C3425 42.051 55.263 55.474 0.00 0.00 -ATOM 10275 H2 H2O C3425 41.399 54.734 54.073 0.00 0.00 -ATOM 10276 O1 H2O C3426 28.854 8.633 54.107 0.00 0.00 -ATOM 10277 H1 H2O C3426 29.466 7.879 54.349 0.00 0.00 -ATOM 10278 H2 H2O C3426 29.035 8.919 53.165 0.00 0.00 -ATOM 10279 O1 H2O C3427 42.926 48.026 52.841 0.00 0.00 -ATOM 10280 H1 H2O C3427 42.431 48.605 52.193 0.00 0.00 -ATOM 10281 H2 H2O C3427 43.826 48.423 53.022 0.00 0.00 -ATOM 10282 O1 H2O C3428 13.356 49.210 49.873 0.00 0.00 -ATOM 10283 H1 H2O C3428 13.717 48.822 50.721 0.00 0.00 -ATOM 10284 H2 H2O C3428 12.612 49.843 50.086 0.00 0.00 -ATOM 10285 O1 H2O C3429 24.162 12.908 8.322 0.00 0.00 -ATOM 10286 H1 H2O C3429 24.706 12.461 7.612 0.00 0.00 -ATOM 10287 H2 H2O C3429 24.179 12.354 9.154 0.00 0.00 -ATOM 10288 O1 H2O C3430 14.367 49.918 37.266 0.00 0.00 -ATOM 10289 H1 H2O C3430 13.828 50.537 36.695 0.00 0.00 -ATOM 10290 H2 H2O C3430 15.307 50.255 37.329 0.00 0.00 -ATOM 10291 O1 H2O C3431 7.737 37.948 26.305 0.00 0.00 -ATOM 10292 H1 H2O C3431 7.156 37.650 25.547 0.00 0.00 -ATOM 10293 H2 H2O C3431 7.876 37.186 26.937 0.00 0.00 -ATOM 10294 O1 H2O C3432 40.046 45.936 19.589 0.00 0.00 -ATOM 10295 H1 H2O C3432 40.428 45.351 20.304 0.00 0.00 -ATOM 10296 H2 H2O C3432 40.762 46.168 18.931 0.00 0.00 -ATOM 10297 O1 H2O C3433 16.587 5.749 8.732 0.00 0.00 -ATOM 10298 H1 H2O C3433 17.519 5.991 9.004 0.00 0.00 -ATOM 10299 H2 H2O C3433 15.994 6.549 8.827 0.00 0.00 -ATOM 10300 O1 H2O C3434 13.023 4.882 36.913 0.00 0.00 -ATOM 10301 H1 H2O C3434 13.330 3.934 37.006 0.00 0.00 -ATOM 10302 H2 H2O C3434 13.669 5.385 36.337 0.00 0.00 -ATOM 10303 O1 H2O C3435 56.594 14.672 23.502 0.00 0.00 -ATOM 10304 H1 H2O C3435 55.829 14.465 24.111 0.00 0.00 -ATOM 10305 H2 H2O C3435 57.059 13.823 23.251 0.00 0.00 -ATOM 10306 O1 H2O C3436 10.191 4.922 34.896 0.00 0.00 -ATOM 10307 H1 H2O C3436 9.898 5.703 35.448 0.00 0.00 -ATOM 10308 H2 H2O C3436 11.114 4.649 35.168 0.00 0.00 -ATOM 10309 O1 H2O C3437 55.301 5.677 52.895 0.00 0.00 -ATOM 10310 H1 H2O C3437 54.366 5.622 52.545 0.00 0.00 -ATOM 10311 H2 H2O C3437 55.947 5.522 52.147 0.00 0.00 -ATOM 10312 O1 H2O C3438 9.947 11.757 36.814 0.00 0.00 -ATOM 10313 H1 H2O C3438 10.343 10.979 37.302 0.00 0.00 -ATOM 10314 H2 H2O C3438 9.671 11.470 35.896 0.00 0.00 -ATOM 10315 O1 H2O C3439 16.830 41.172 8.268 0.00 0.00 -ATOM 10316 H1 H2O C3439 17.500 41.915 8.239 0.00 0.00 -ATOM 10317 H2 H2O C3439 15.931 41.543 8.498 0.00 0.00 -ATOM 10318 O1 H2O C3440 25.918 51.939 35.345 0.00 0.00 -ATOM 10319 H1 H2O C3440 26.032 52.143 34.372 0.00 0.00 -ATOM 10320 H2 H2O C3440 25.075 51.416 35.478 0.00 0.00 -ATOM 10321 O1 H2O C3441 38.880 11.467 55.151 0.00 0.00 -ATOM 10322 H1 H2O C3441 39.301 11.788 54.302 0.00 0.00 -ATOM 10323 H2 H2O C3441 38.532 10.538 55.018 0.00 0.00 -ATOM 10324 O1 H2O C3442 46.640 49.943 28.337 0.00 0.00 -ATOM 10325 H1 H2O C3442 46.875 49.708 27.394 0.00 0.00 -ATOM 10326 H2 H2O C3442 47.373 49.644 28.948 0.00 0.00 -ATOM 10327 O1 H2O C3443 25.081 24.924 43.643 0.00 0.00 -ATOM 10328 H1 H2O C3443 24.139 24.900 43.980 0.00 0.00 -ATOM 10329 H2 H2O C3443 25.541 24.067 43.881 0.00 0.00 -ATOM 10330 O1 H2O C3444 54.970 13.156 34.042 0.00 0.00 -ATOM 10331 H1 H2O C3444 55.763 13.691 34.334 0.00 0.00 -ATOM 10332 H2 H2O C3444 54.276 13.167 34.762 0.00 0.00 -ATOM 10333 O1 H2O C3445 7.443 57.418 54.160 0.00 0.00 -ATOM 10334 H1 H2O C3445 7.196 57.732 55.077 0.00 0.00 -ATOM 10335 H2 H2O C3445 7.922 58.149 53.674 0.00 0.00 -ATOM 10336 O1 H2O C3446 30.026 6.526 7.269 0.00 0.00 -ATOM 10337 H1 H2O C3446 29.593 6.873 8.101 0.00 0.00 -ATOM 10338 H2 H2O C3446 30.974 6.842 7.230 0.00 0.00 -ATOM 10339 O1 H2O C3447 4.637 35.208 53.875 0.00 0.00 -ATOM 10340 H1 H2O C3447 5.410 34.577 53.939 0.00 0.00 -ATOM 10341 H2 H2O C3447 4.691 35.714 53.014 0.00 0.00 -ATOM 10342 O1 H2O C3448 27.216 3.798 33.763 0.00 0.00 -ATOM 10343 H1 H2O C3448 27.224 3.151 33.001 0.00 0.00 -ATOM 10344 H2 H2O C3448 27.828 4.562 33.557 0.00 0.00 -ATOM 10345 O1 H2O C3449 -0.046 31.403 0.055 0.00 0.00 -ATOM 10346 H1 H2O C3449 0.208 30.573 0.552 0.00 0.00 -ATOM 10347 H2 H2O C3449 0.674 31.634 -0.599 0.00 0.00 -ATOM 10348 O1 H2O C3450 37.996 26.955 24.362 0.00 0.00 -ATOM 10349 H1 H2O C3450 38.051 26.923 25.360 0.00 0.00 -ATOM 10350 H2 H2O C3450 37.046 27.102 24.086 0.00 0.00 -ATOM 10351 O1 H2O C3451 27.165 38.529 31.022 0.00 0.00 -ATOM 10352 H1 H2O C3451 28.118 38.811 30.907 0.00 0.00 -ATOM 10353 H2 H2O C3451 26.825 38.855 31.904 0.00 0.00 -ATOM 10354 O1 H2O C3452 11.754 26.419 4.345 0.00 0.00 -ATOM 10355 H1 H2O C3452 11.537 26.909 5.189 0.00 0.00 -ATOM 10356 H2 H2O C3452 12.559 25.844 4.491 0.00 0.00 -ATOM 10357 O1 H2O C3453 11.367 10.761 11.147 0.00 0.00 -ATOM 10358 H1 H2O C3453 11.791 10.455 12.000 0.00 0.00 -ATOM 10359 H2 H2O C3453 10.617 11.390 11.354 0.00 0.00 -ATOM 10360 O1 H2O C3454 41.463 23.474 35.836 0.00 0.00 -ATOM 10361 H1 H2O C3454 41.464 23.371 34.841 0.00 0.00 -ATOM 10362 H2 H2O C3454 41.389 24.444 36.071 0.00 0.00 -ATOM 10363 O1 H2O C3455 30.123 47.247 8.166 0.00 0.00 -ATOM 10364 H1 H2O C3455 29.934 46.753 7.317 0.00 0.00 -ATOM 10365 H2 H2O C3455 29.264 47.576 8.559 0.00 0.00 -ATOM 10366 O1 H2O C3456 2.206 50.843 39.990 0.00 0.00 -ATOM 10367 H1 H2O C3456 1.847 51.718 39.664 0.00 0.00 -ATOM 10368 H2 H2O C3456 3.021 50.600 39.464 0.00 0.00 -ATOM 10369 O1 H2O C3457 0.782 50.970 37.398 0.00 0.00 -ATOM 10370 H1 H2O C3457 1.047 50.254 36.753 0.00 0.00 -ATOM 10371 H2 H2O C3457 0.210 50.576 38.117 0.00 0.00 -ATOM 10372 O1 H2O C3458 51.820 42.997 36.412 0.00 0.00 -ATOM 10373 H1 H2O C3458 52.110 42.973 37.369 0.00 0.00 -ATOM 10374 H2 H2O C3458 51.069 42.351 36.275 0.00 0.00 -ATOM 10375 O1 H2O C3459 27.775 4.842 54.798 0.00 0.00 -ATOM 10376 H1 H2O C3459 27.090 5.466 54.423 0.00 0.00 -ATOM 10377 H2 H2O C3459 27.952 5.077 55.754 0.00 0.00 -ATOM 10378 O1 H2O C3460 33.871 45.616 5.144 0.00 0.00 -ATOM 10379 H1 H2O C3460 33.807 45.058 5.971 0.00 0.00 -ATOM 10380 H2 H2O C3460 34.555 45.225 4.529 0.00 0.00 -ATOM 10381 O1 H2O C3461 27.960 42.450 47.352 0.00 0.00 -ATOM 10382 H1 H2O C3461 27.631 41.513 47.462 0.00 0.00 -ATOM 10383 H2 H2O C3461 28.710 42.618 47.992 0.00 0.00 -ATOM 10384 O1 H2O C3462 13.088 37.787 1.821 0.00 0.00 -ATOM 10385 H1 H2O C3462 12.487 37.939 2.605 0.00 0.00 -ATOM 10386 H2 H2O C3462 13.182 38.637 1.303 0.00 0.00 -ATOM 10387 O1 H2O C3463 21.646 47.857 47.097 0.00 0.00 -ATOM 10388 H1 H2O C3463 20.865 47.238 47.184 0.00 0.00 -ATOM 10389 H2 H2O C3463 21.599 48.328 46.216 0.00 0.00 -ATOM 10390 O1 H2O C3464 55.736 54.197 48.030 0.00 0.00 -ATOM 10391 H1 H2O C3464 54.897 53.827 48.428 0.00 0.00 -ATOM 10392 H2 H2O C3464 56.521 53.909 48.580 0.00 0.00 -ATOM 10393 O1 H2O C3465 18.313 38.061 4.179 0.00 0.00 -ATOM 10394 H1 H2O C3465 18.519 39.033 4.062 0.00 0.00 -ATOM 10395 H2 H2O C3465 17.657 37.773 3.481 0.00 0.00 -ATOM 10396 O1 H2O C3466 19.254 24.683 59.011 0.00 0.00 -ATOM 10397 H1 H2O C3466 18.894 25.613 59.092 0.00 0.00 -ATOM 10398 H2 H2O C3466 18.506 24.027 59.102 0.00 0.00 -ATOM 10399 O1 H2O C3467 59.455 34.046 49.709 0.00 0.00 -ATOM 10400 H1 H2O C3467 58.876 34.412 48.981 0.00 0.00 -ATOM 10401 H2 H2O C3467 58.880 33.688 50.444 0.00 0.00 -ATOM 10402 O1 H2O C3468 1.959 53.189 31.159 0.00 0.00 -ATOM 10403 H1 H2O C3468 2.391 52.295 31.037 0.00 0.00 -ATOM 10404 H2 H2O C3468 2.442 53.698 31.872 0.00 0.00 -ATOM 10405 O1 H2O C3469 3.979 18.313 52.838 0.00 0.00 -ATOM 10406 H1 H2O C3469 4.524 19.104 52.560 0.00 0.00 -ATOM 10407 H2 H2O C3469 4.014 18.218 53.833 0.00 0.00 -ATOM 10408 O1 H2O C3470 29.705 12.298 32.346 0.00 0.00 -ATOM 10409 H1 H2O C3470 30.228 13.148 32.271 0.00 0.00 -ATOM 10410 H2 H2O C3470 29.865 11.736 31.534 0.00 0.00 -ATOM 10411 O1 H2O C3471 7.039 5.604 22.083 0.00 0.00 -ATOM 10412 H1 H2O C3471 7.369 4.873 21.486 0.00 0.00 -ATOM 10413 H2 H2O C3471 7.551 5.590 22.941 0.00 0.00 -ATOM 10414 O1 H2O C3472 51.986 18.615 40.698 0.00 0.00 -ATOM 10415 H1 H2O C3472 51.910 18.480 39.710 0.00 0.00 -ATOM 10416 H2 H2O C3472 51.378 17.975 41.169 0.00 0.00 -ATOM 10417 O1 H2O C3473 7.519 42.398 47.449 0.00 0.00 -ATOM 10418 H1 H2O C3473 7.851 42.017 48.312 0.00 0.00 -ATOM 10419 H2 H2O C3473 7.600 43.395 47.472 0.00 0.00 -ATOM 10420 O1 H2O C3474 58.277 14.716 27.547 0.00 0.00 -ATOM 10421 H1 H2O C3474 58.499 13.743 27.618 0.00 0.00 -ATOM 10422 H2 H2O C3474 57.321 14.860 27.805 0.00 0.00 -ATOM 10423 O1 H2O C3475 3.186 36.841 29.416 0.00 0.00 -ATOM 10424 H1 H2O C3475 2.471 37.523 29.265 0.00 0.00 -ATOM 10425 H2 H2O C3475 2.780 36.012 29.799 0.00 0.00 -ATOM 10426 O1 H2O C3476 14.786 41.710 19.903 0.00 0.00 -ATOM 10427 H1 H2O C3476 15.033 42.677 19.857 0.00 0.00 -ATOM 10428 H2 H2O C3476 14.047 41.586 20.565 0.00 0.00 -ATOM 10429 O1 H2O C3477 52.678 53.416 47.717 0.00 0.00 -ATOM 10430 H1 H2O C3477 52.672 52.502 48.122 0.00 0.00 -ATOM 10431 H2 H2O C3477 52.213 53.392 46.832 0.00 0.00 -ATOM 10432 O1 H2O C3478 55.034 52.392 57.666 0.00 0.00 -ATOM 10433 H1 H2O C3478 54.458 51.718 57.203 0.00 0.00 -ATOM 10434 H2 H2O C3478 55.556 52.908 56.986 0.00 0.00 -ATOM 10435 O1 H2O C3479 46.267 20.243 19.704 0.00 0.00 -ATOM 10436 H1 H2O C3479 45.411 19.736 19.801 0.00 0.00 -ATOM 10437 H2 H2O C3479 46.067 21.191 19.455 0.00 0.00 -ATOM 10438 O1 H2O C3480 28.292 0.960 40.834 0.00 0.00 -ATOM 10439 H1 H2O C3480 29.179 1.326 40.552 0.00 0.00 -ATOM 10440 H2 H2O C3480 28.376 0.541 41.738 0.00 0.00 -ATOM 10441 O1 H2O C3481 15.154 40.905 22.104 0.00 0.00 -ATOM 10442 H1 H2O C3481 15.804 40.159 21.963 0.00 0.00 -ATOM 10443 H2 H2O C3481 15.369 41.657 21.481 0.00 0.00 -ATOM 10444 O1 H2O C3482 57.080 55.334 45.203 0.00 0.00 -ATOM 10445 H1 H2O C3482 57.078 56.320 45.375 0.00 0.00 -ATOM 10446 H2 H2O C3482 57.023 54.845 46.073 0.00 0.00 -ATOM 10447 O1 H2O C3483 56.382 0.559 37.957 0.00 0.00 -ATOM 10448 H1 H2O C3483 55.549 0.904 37.525 0.00 0.00 -ATOM 10449 H2 H2O C3483 57.065 0.359 37.254 0.00 0.00 -ATOM 10450 O1 H2O C3484 5.926 13.791 35.426 0.00 0.00 -ATOM 10451 H1 H2O C3484 6.456 13.252 36.080 0.00 0.00 -ATOM 10452 H2 H2O C3484 5.590 14.621 35.873 0.00 0.00 -ATOM 10453 O1 H2O C3485 18.027 18.791 31.083 0.00 0.00 -ATOM 10454 H1 H2O C3485 18.368 19.732 31.090 0.00 0.00 -ATOM 10455 H2 H2O C3485 18.557 18.251 30.428 0.00 0.00 -ATOM 10456 O1 H2O C3486 45.095 25.163 15.488 0.00 0.00 -ATOM 10457 H1 H2O C3486 45.780 25.766 15.078 0.00 0.00 -ATOM 10458 H2 H2O C3486 45.405 24.877 16.395 0.00 0.00 -ATOM 10459 O1 H2O C3487 36.764 34.047 1.098 0.00 0.00 -ATOM 10460 H1 H2O C3487 36.188 33.248 1.274 0.00 0.00 -ATOM 10461 H2 H2O C3487 36.851 34.183 0.111 0.00 0.00 -ATOM 10462 O1 H2O C3488 8.358 43.927 37.939 0.00 0.00 -ATOM 10463 H1 H2O C3488 8.307 44.740 38.518 0.00 0.00 -ATOM 10464 H2 H2O C3488 8.500 44.202 36.988 0.00 0.00 -ATOM 10465 O1 H2O C3489 35.548 31.530 24.373 0.00 0.00 -ATOM 10466 H1 H2O C3489 35.723 31.148 23.465 0.00 0.00 -ATOM 10467 H2 H2O C3489 34.636 31.940 24.391 0.00 0.00 -ATOM 10468 O1 H2O C3490 0.809 21.897 27.366 0.00 0.00 -ATOM 10469 H1 H2O C3490 1.345 22.664 27.014 0.00 0.00 -ATOM 10470 H2 H2O C3490 1.208 21.579 28.227 0.00 0.00 -ATOM 10471 O1 H2O C3491 58.120 6.218 24.710 0.00 0.00 -ATOM 10472 H1 H2O C3491 58.286 5.289 24.380 0.00 0.00 -ATOM 10473 H2 H2O C3491 57.379 6.206 25.381 0.00 0.00 -ATOM 10474 O1 H2O C3492 47.288 28.876 29.683 0.00 0.00 -ATOM 10475 H1 H2O C3492 46.465 29.382 29.425 0.00 0.00 -ATOM 10476 H2 H2O C3492 47.095 27.895 29.665 0.00 0.00 -ATOM 10477 O1 H2O C3493 14.499 41.164 49.643 0.00 0.00 -ATOM 10478 H1 H2O C3493 14.453 40.592 50.462 0.00 0.00 -ATOM 10479 H2 H2O C3493 14.031 40.705 48.889 0.00 0.00 -ATOM 10480 O1 H2O C3494 38.846 36.899 28.154 0.00 0.00 -ATOM 10481 H1 H2O C3494 39.351 36.840 27.293 0.00 0.00 -ATOM 10482 H2 H2O C3494 38.412 36.018 28.346 0.00 0.00 -ATOM 10483 O1 H2O C3495 15.423 30.330 44.435 0.00 0.00 -ATOM 10484 H1 H2O C3495 14.950 30.751 43.660 0.00 0.00 -ATOM 10485 H2 H2O C3495 16.398 30.254 44.229 0.00 0.00 -ATOM 10486 O1 H2O C3496 33.172 50.588 35.290 0.00 0.00 -ATOM 10487 H1 H2O C3496 33.500 49.644 35.320 0.00 0.00 -ATOM 10488 H2 H2O C3496 32.228 50.623 35.618 0.00 0.00 -ATOM 10489 O1 H2O C3497 4.627 21.696 46.923 0.00 0.00 -ATOM 10490 H1 H2O C3497 4.518 21.734 45.929 0.00 0.00 -ATOM 10491 H2 H2O C3497 4.305 20.812 47.260 0.00 0.00 -ATOM 10492 O1 H2O C3498 0.453 23.378 25.162 0.00 0.00 -ATOM 10493 H1 H2O C3498 0.641 22.427 24.916 0.00 0.00 -ATOM 10494 H2 H2O C3498 0.301 23.913 24.331 0.00 0.00 -ATOM 10495 O1 H2O C3499 24.833 43.871 37.612 0.00 0.00 -ATOM 10496 H1 H2O C3499 25.534 43.559 38.253 0.00 0.00 -ATOM 10497 H2 H2O C3499 25.047 44.801 37.312 0.00 0.00 -ATOM 10498 O1 H2O C3500 0.319 45.234 9.452 0.00 0.00 -ATOM 10499 H1 H2O C3500 1.059 45.905 9.386 0.00 0.00 -ATOM 10500 H2 H2O C3500 -0.007 45.008 8.534 0.00 0.00 -ATOM 10501 O1 H2O C3501 49.459 31.368 17.396 0.00 0.00 -ATOM 10502 H1 H2O C3501 50.113 31.752 18.049 0.00 0.00 -ATOM 10503 H2 H2O C3501 48.531 31.628 17.662 0.00 0.00 -ATOM 10504 O1 H2O C3502 50.448 27.095 16.621 0.00 0.00 -ATOM 10505 H1 H2O C3502 50.274 26.808 17.562 0.00 0.00 -ATOM 10506 H2 H2O C3502 49.607 27.462 16.223 0.00 0.00 -ATOM 10507 O1 H2O C3503 38.729 56.738 50.979 0.00 0.00 -ATOM 10508 H1 H2O C3503 38.214 57.464 50.522 0.00 0.00 -ATOM 10509 H2 H2O C3503 38.429 55.849 50.633 0.00 0.00 -ATOM 10510 O1 H2O C3504 23.071 2.306 39.041 0.00 0.00 -ATOM 10511 H1 H2O C3504 22.641 2.987 39.633 0.00 0.00 -ATOM 10512 H2 H2O C3504 22.406 1.595 38.813 0.00 0.00 -ATOM 10513 O1 H2O C3505 44.411 44.704 7.614 0.00 0.00 -ATOM 10514 H1 H2O C3505 43.809 44.027 8.039 0.00 0.00 -ATOM 10515 H2 H2O C3505 45.203 44.242 7.215 0.00 0.00 -ATOM 10516 O1 H2O C3506 57.993 44.687 24.091 0.00 0.00 -ATOM 10517 H1 H2O C3506 58.001 45.687 24.111 0.00 0.00 -ATOM 10518 H2 H2O C3506 57.765 44.338 25.001 0.00 0.00 -ATOM 10519 O1 H2O C3507 36.727 41.167 16.872 0.00 0.00 -ATOM 10520 H1 H2O C3507 35.961 40.564 16.649 0.00 0.00 -ATOM 10521 H2 H2O C3507 37.471 41.015 16.222 0.00 0.00 -ATOM 10522 O1 H2O C3508 56.150 45.242 49.501 0.00 0.00 -ATOM 10523 H1 H2O C3508 55.577 45.138 50.314 0.00 0.00 -ATOM 10524 H2 H2O C3508 55.598 45.600 48.748 0.00 0.00 -ATOM 10525 O1 H2O C3509 4.352 55.673 2.777 0.00 0.00 -ATOM 10526 H1 H2O C3509 3.650 56.370 2.629 0.00 0.00 -ATOM 10527 H2 H2O C3509 4.379 55.429 3.747 0.00 0.00 -ATOM 10528 O1 H2O C3510 24.961 23.005 32.252 0.00 0.00 -ATOM 10529 H1 H2O C3510 24.033 23.320 32.454 0.00 0.00 -ATOM 10530 H2 H2O C3510 24.918 22.164 31.712 0.00 0.00 -ATOM 10531 O1 H2O C3511 44.013 29.674 15.138 0.00 0.00 -ATOM 10532 H1 H2O C3511 44.685 29.115 14.651 0.00 0.00 -ATOM 10533 H2 H2O C3511 43.988 30.589 14.736 0.00 0.00 -ATOM 10534 O1 H2O C3512 42.961 5.281 41.329 0.00 0.00 -ATOM 10535 H1 H2O C3512 43.755 5.501 40.761 0.00 0.00 -ATOM 10536 H2 H2O C3512 43.272 4.962 42.225 0.00 0.00 -ATOM 10537 O1 H2O C3513 38.725 36.813 38.319 0.00 0.00 -ATOM 10538 H1 H2O C3513 38.830 36.177 39.085 0.00 0.00 -ATOM 10539 H2 H2O C3513 39.428 37.522 38.377 0.00 0.00 -ATOM 10540 O1 H2O C3514 22.263 41.677 56.185 0.00 0.00 -ATOM 10541 H1 H2O C3514 22.159 42.481 56.770 0.00 0.00 -ATOM 10542 H2 H2O C3514 22.932 41.870 55.468 0.00 0.00 -ATOM 10543 O1 H2O C3515 13.965 44.833 7.283 0.00 0.00 -ATOM 10544 H1 H2O C3515 14.267 44.294 8.069 0.00 0.00 -ATOM 10545 H2 H2O C3515 13.339 45.549 7.591 0.00 0.00 -ATOM 10546 O1 H2O C3516 8.477 24.306 50.639 0.00 0.00 -ATOM 10547 H1 H2O C3516 9.418 24.021 50.456 0.00 0.00 -ATOM 10548 H2 H2O C3516 8.297 25.177 50.181 0.00 0.00 -ATOM 10549 O1 H2O C3517 48.778 43.156 51.584 0.00 0.00 -ATOM 10550 H1 H2O C3517 48.854 44.099 51.260 0.00 0.00 -ATOM 10551 H2 H2O C3517 49.679 42.827 51.865 0.00 0.00 -ATOM 10552 O1 H2O C3518 57.717 21.268 45.175 0.00 0.00 -ATOM 10553 H1 H2O C3518 56.815 21.352 45.600 0.00 0.00 -ATOM 10554 H2 H2O C3518 57.931 20.299 45.041 0.00 0.00 -ATOM 10555 O1 H2O C3519 8.856 36.672 35.483 0.00 0.00 -ATOM 10556 H1 H2O C3519 9.662 37.209 35.735 0.00 0.00 -ATOM 10557 H2 H2O C3519 8.032 37.142 35.798 0.00 0.00 -ATOM 10558 O1 H2O C3520 6.742 28.318 42.314 0.00 0.00 -ATOM 10559 H1 H2O C3520 6.279 28.129 43.180 0.00 0.00 -ATOM 10560 H2 H2O C3520 7.469 27.647 42.171 0.00 0.00 -ATOM 10561 O1 H2O C3521 18.065 7.492 12.012 0.00 0.00 -ATOM 10562 H1 H2O C3521 17.303 8.019 11.636 0.00 0.00 -ATOM 10563 H2 H2O C3521 18.106 7.626 13.002 0.00 0.00 -ATOM 10564 O1 H2O C3522 10.327 6.201 23.665 0.00 0.00 -ATOM 10565 H1 H2O C3522 9.638 6.900 23.858 0.00 0.00 -ATOM 10566 H2 H2O C3522 10.509 5.675 24.495 0.00 0.00 -ATOM 10567 O1 H2O C3523 13.884 38.535 28.987 0.00 0.00 -ATOM 10568 H1 H2O C3523 14.696 39.096 29.147 0.00 0.00 -ATOM 10569 H2 H2O C3523 13.390 38.883 28.190 0.00 0.00 -ATOM 10570 O1 H2O C3524 6.147 39.138 43.511 0.00 0.00 -ATOM 10571 H1 H2O C3524 5.511 38.370 43.594 0.00 0.00 -ATOM 10572 H2 H2O C3524 6.411 39.248 42.552 0.00 0.00 -ATOM 10573 O1 H2O C3525 49.088 44.657 18.875 0.00 0.00 -ATOM 10574 H1 H2O C3525 48.964 44.222 19.768 0.00 0.00 -ATOM 10575 H2 H2O C3525 49.490 43.999 18.238 0.00 0.00 -ATOM 10576 O1 H2O C3526 24.237 47.130 47.657 0.00 0.00 -ATOM 10577 H1 H2O C3526 24.291 46.559 48.476 0.00 0.00 -ATOM 10578 H2 H2O C3526 25.150 47.232 47.262 0.00 0.00 -ATOM 10579 O1 H2O C3527 45.772 19.519 1.632 0.00 0.00 -ATOM 10580 H1 H2O C3527 46.735 19.388 1.395 0.00 0.00 -ATOM 10581 H2 H2O C3527 45.259 19.773 0.811 0.00 0.00 -ATOM 10582 O1 H2O C3528 27.409 51.961 58.223 0.00 0.00 -ATOM 10583 H1 H2O C3528 26.488 52.145 57.878 0.00 0.00 -ATOM 10584 H2 H2O C3528 27.984 51.628 57.476 0.00 0.00 -ATOM 10585 O1 H2O C3529 49.005 7.622 17.593 0.00 0.00 -ATOM 10586 H1 H2O C3529 48.535 8.325 17.059 0.00 0.00 -ATOM 10587 H2 H2O C3529 49.919 7.944 17.838 0.00 0.00 -ATOM 10588 O1 H2O C3530 16.453 5.988 37.397 0.00 0.00 -ATOM 10589 H1 H2O C3530 17.431 5.775 37.409 0.00 0.00 -ATOM 10590 H2 H2O C3530 16.001 5.435 36.695 0.00 0.00 -ATOM 10591 O1 H2O C3531 28.434 42.130 21.307 0.00 0.00 -ATOM 10592 H1 H2O C3531 28.688 43.097 21.277 0.00 0.00 -ATOM 10593 H2 H2O C3531 28.746 41.731 22.170 0.00 0.00 -ATOM 10594 O1 H2O C3532 49.866 34.177 28.840 0.00 0.00 -ATOM 10595 H1 H2O C3532 50.570 33.514 29.094 0.00 0.00 -ATOM 10596 H2 H2O C3532 49.210 34.270 29.589 0.00 0.00 -ATOM 10597 O1 H2O C3533 50.528 24.526 56.993 0.00 0.00 -ATOM 10598 H1 H2O C3533 51.138 23.763 56.779 0.00 0.00 -ATOM 10599 H2 H2O C3533 51.002 25.172 57.593 0.00 0.00 -ATOM 10600 O1 H2O C3534 30.482 17.663 26.020 0.00 0.00 -ATOM 10601 H1 H2O C3534 29.486 17.593 25.975 0.00 0.00 -ATOM 10602 H2 H2O C3534 30.884 16.749 25.960 0.00 0.00 -ATOM 10603 O1 H2O C3535 50.366 43.546 35.957 0.00 0.00 -ATOM 10604 H1 H2O C3535 51.314 43.261 36.097 0.00 0.00 -ATOM 10605 H2 H2O C3535 50.107 44.204 36.664 0.00 0.00 -ATOM 10606 O1 H2O C3536 41.943 31.485 51.929 0.00 0.00 -ATOM 10607 H1 H2O C3536 42.379 31.654 51.044 0.00 0.00 -ATOM 10608 H2 H2O C3536 41.505 30.587 51.918 0.00 0.00 -ATOM 10609 O1 H2O C3537 33.589 18.046 34.459 0.00 0.00 -ATOM 10610 H1 H2O C3537 33.855 17.522 33.650 0.00 0.00 -ATOM 10611 H2 H2O C3537 32.663 18.404 34.335 0.00 0.00 -ATOM 10612 O1 H2O C3538 52.481 29.437 44.437 0.00 0.00 -ATOM 10613 H1 H2O C3538 53.066 30.064 44.952 0.00 0.00 -ATOM 10614 H2 H2O C3538 52.031 29.934 43.695 0.00 0.00 -ATOM 10615 O1 H2O C3539 33.279 59.573 58.641 0.00 0.00 -ATOM 10616 H1 H2O C3539 33.856 58.853 58.256 0.00 0.00 -ATOM 10617 H2 H2O C3539 32.321 59.385 58.425 0.00 0.00 -ATOM 10618 O1 H2O C3540 9.339 29.733 55.752 0.00 0.00 -ATOM 10619 H1 H2O C3540 10.230 30.085 55.467 0.00 0.00 -ATOM 10620 H2 H2O C3540 8.680 29.855 55.010 0.00 0.00 -ATOM 10621 O1 H2O C3541 46.055 19.951 39.195 0.00 0.00 -ATOM 10622 H1 H2O C3541 45.291 19.724 38.591 0.00 0.00 -ATOM 10623 H2 H2O C3541 45.965 19.443 40.051 0.00 0.00 -ATOM 10624 O1 H2O C3542 7.540 2.838 10.800 0.00 0.00 -ATOM 10625 H1 H2O C3542 8.168 2.629 11.550 0.00 0.00 -ATOM 10626 H2 H2O C3542 7.915 2.483 9.943 0.00 0.00 -ATOM 10627 O1 H2O C3543 57.180 18.192 10.292 0.00 0.00 -ATOM 10628 H1 H2O C3543 56.912 17.250 10.088 0.00 0.00 -ATOM 10629 H2 H2O C3543 56.487 18.616 10.875 0.00 0.00 -ATOM 10630 O1 H2O C3544 51.160 11.494 58.438 0.00 0.00 -ATOM 10631 H1 H2O C3544 51.900 12.059 58.073 0.00 0.00 -ATOM 10632 H2 H2O C3544 51.508 10.578 58.638 0.00 0.00 -ATOM 10633 O1 H2O C3545 3.608 31.206 28.200 0.00 0.00 -ATOM 10634 H1 H2O C3545 3.201 32.109 28.336 0.00 0.00 -ATOM 10635 H2 H2O C3545 4.362 31.276 27.546 0.00 0.00 -ATOM 10636 O1 H2O C3546 16.388 44.263 57.744 0.00 0.00 -ATOM 10637 H1 H2O C3546 17.241 43.820 58.022 0.00 0.00 -ATOM 10638 H2 H2O C3546 16.551 44.819 56.929 0.00 0.00 -ATOM 10639 O1 H2O C3547 22.298 28.117 50.479 0.00 0.00 -ATOM 10640 H1 H2O C3547 23.179 27.686 50.673 0.00 0.00 -ATOM 10641 H2 H2O C3547 22.222 28.290 49.496 0.00 0.00 -ATOM 10642 O1 H2O C3548 24.222 39.051 19.184 0.00 0.00 -ATOM 10643 H1 H2O C3548 23.990 38.106 19.418 0.00 0.00 -ATOM 10644 H2 H2O C3548 24.586 39.082 18.252 0.00 0.00 -ATOM 10645 O1 H2O C3549 11.563 35.243 35.633 0.00 0.00 -ATOM 10646 H1 H2O C3549 10.931 35.522 34.908 0.00 0.00 -ATOM 10647 H2 H2O C3549 12.146 36.017 35.881 0.00 0.00 -ATOM 10648 O1 H2O C3550 14.487 46.880 48.647 0.00 0.00 -ATOM 10649 H1 H2O C3550 15.262 46.268 48.483 0.00 0.00 -ATOM 10650 H2 H2O C3550 13.900 46.898 47.838 0.00 0.00 -ATOM 10651 O1 H2O C3551 47.611 53.172 28.019 0.00 0.00 -ATOM 10652 H1 H2O C3551 47.708 53.729 28.845 0.00 0.00 -ATOM 10653 H2 H2O C3551 46.906 52.477 28.168 0.00 0.00 -ATOM 10654 O1 H2O C3552 33.892 27.505 7.449 0.00 0.00 -ATOM 10655 H1 H2O C3552 34.656 27.696 6.833 0.00 0.00 -ATOM 10656 H2 H2O C3552 33.512 28.367 7.786 0.00 0.00 -ATOM 10657 O1 H2O C3553 5.110 45.718 15.157 0.00 0.00 -ATOM 10658 H1 H2O C3553 5.592 46.593 15.120 0.00 0.00 -ATOM 10659 H2 H2O C3553 4.553 45.679 15.987 0.00 0.00 -ATOM 10660 O1 H2O C3554 44.582 44.302 54.496 0.00 0.00 -ATOM 10661 H1 H2O C3554 44.634 43.996 53.546 0.00 0.00 -ATOM 10662 H2 H2O C3554 45.501 44.321 54.891 0.00 0.00 -ATOM 10663 O1 H2O C3555 24.949 20.897 21.812 0.00 0.00 -ATOM 10664 H1 H2O C3555 25.251 21.399 21.002 0.00 0.00 -ATOM 10665 H2 H2O C3555 24.906 21.519 22.593 0.00 0.00 -ATOM 10666 O1 H2O C3556 36.392 10.340 22.599 0.00 0.00 -ATOM 10667 H1 H2O C3556 35.732 11.023 22.912 0.00 0.00 -ATOM 10668 H2 H2O C3556 35.934 9.687 21.996 0.00 0.00 -ATOM 10669 O1 H2O C3557 18.477 40.500 50.549 0.00 0.00 -ATOM 10670 H1 H2O C3557 18.793 41.403 50.257 0.00 0.00 -ATOM 10671 H2 H2O C3557 19.168 40.079 51.136 0.00 0.00 -ATOM 10672 O1 H2O C3558 3.329 19.337 58.777 0.00 0.00 -ATOM 10673 H1 H2O C3558 3.339 19.897 59.605 0.00 0.00 -ATOM 10674 H2 H2O C3558 4.268 19.142 58.494 0.00 0.00 -ATOM 10675 O1 H2O C3559 20.411 7.675 47.758 0.00 0.00 -ATOM 10676 H1 H2O C3559 19.518 7.472 47.358 0.00 0.00 -ATOM 10677 H2 H2O C3559 20.362 8.536 48.265 0.00 0.00 -ATOM 10678 O1 H2O C3560 31.187 6.465 13.172 0.00 0.00 -ATOM 10679 H1 H2O C3560 30.439 7.114 13.309 0.00 0.00 -ATOM 10680 H2 H2O C3560 32.058 6.957 13.167 0.00 0.00 -ATOM 10681 O1 H2O C3561 14.658 30.822 26.730 0.00 0.00 -ATOM 10682 H1 H2O C3561 13.838 31.171 26.275 0.00 0.00 -ATOM 10683 H2 H2O C3561 15.409 30.773 26.070 0.00 0.00 -ATOM 10684 O1 H2O C3562 53.424 42.402 6.247 0.00 0.00 -ATOM 10685 H1 H2O C3562 54.395 42.571 6.422 0.00 0.00 -ATOM 10686 H2 H2O C3562 53.280 42.281 5.264 0.00 0.00 -ATOM 10687 O1 H2O C3563 21.532 7.475 28.086 0.00 0.00 -ATOM 10688 H1 H2O C3563 20.872 8.226 28.058 0.00 0.00 -ATOM 10689 H2 H2O C3563 22.096 7.557 28.908 0.00 0.00 -ATOM 10690 O1 H2O C3564 44.535 48.044 49.033 0.00 0.00 -ATOM 10691 H1 H2O C3564 44.246 47.579 49.871 0.00 0.00 -ATOM 10692 H2 H2O C3564 43.767 48.568 48.663 0.00 0.00 -ATOM 10693 O1 H2O C3565 55.576 11.099 22.353 0.00 0.00 -ATOM 10694 H1 H2O C3565 55.735 11.833 21.693 0.00 0.00 -ATOM 10695 H2 H2O C3565 55.016 10.386 21.930 0.00 0.00 -ATOM 10696 O1 H2O C3566 3.636 4.299 20.054 0.00 0.00 -ATOM 10697 H1 H2O C3566 4.182 3.597 20.513 0.00 0.00 -ATOM 10698 H2 H2O C3566 3.250 3.922 19.212 0.00 0.00 -ATOM 10699 O1 H2O C3567 34.046 31.612 19.318 0.00 0.00 -ATOM 10700 H1 H2O C3567 33.407 32.228 19.780 0.00 0.00 -ATOM 10701 H2 H2O C3567 33.989 30.703 19.730 0.00 0.00 -ATOM 10702 O1 H2O C3568 18.375 38.507 17.109 0.00 0.00 -ATOM 10703 H1 H2O C3568 19.018 38.916 16.462 0.00 0.00 -ATOM 10704 H2 H2O C3568 17.656 39.167 17.327 0.00 0.00 -ATOM 10705 O1 H2O C3569 32.861 48.281 15.768 0.00 0.00 -ATOM 10706 H1 H2O C3569 32.942 47.549 15.091 0.00 0.00 -ATOM 10707 H2 H2O C3569 31.951 48.691 15.709 0.00 0.00 -ATOM 10708 O1 H2O C3570 20.502 42.453 16.747 0.00 0.00 -ATOM 10709 H1 H2O C3570 21.409 42.264 16.372 0.00 0.00 -ATOM 10710 H2 H2O C3570 20.461 43.403 17.056 0.00 0.00 -ATOM 10711 O1 H2O C3571 42.617 41.261 6.028 0.00 0.00 -ATOM 10712 H1 H2O C3571 42.858 40.308 6.218 0.00 0.00 -ATOM 10713 H2 H2O C3571 42.340 41.710 6.878 0.00 0.00 -ATOM 10714 O1 H2O C3572 21.705 46.446 51.687 0.00 0.00 -ATOM 10715 H1 H2O C3572 21.678 46.120 50.742 0.00 0.00 -ATOM 10716 H2 H2O C3572 22.146 47.343 51.718 0.00 0.00 -ATOM 10717 O1 H2O C3573 16.134 0.865 50.045 0.00 0.00 -ATOM 10718 H1 H2O C3573 16.477 1.189 49.163 0.00 0.00 -ATOM 10719 H2 H2O C3573 16.905 0.673 50.652 0.00 0.00 -ATOM 10720 O1 H2O C3574 7.686 20.044 25.875 0.00 0.00 -ATOM 10721 H1 H2O C3574 7.673 21.035 25.747 0.00 0.00 -ATOM 10722 H2 H2O C3574 6.840 19.754 26.323 0.00 0.00 -ATOM 10723 O1 H2O C3575 24.520 37.002 27.063 0.00 0.00 -ATOM 10724 H1 H2O C3575 24.244 36.388 26.323 0.00 0.00 -ATOM 10725 H2 H2O C3575 25.174 37.673 26.713 0.00 0.00 -ATOM 10726 O1 H2O C3576 49.935 4.641 21.840 0.00 0.00 -ATOM 10727 H1 H2O C3576 49.655 5.560 21.561 0.00 0.00 -ATOM 10728 H2 H2O C3576 50.536 4.250 21.143 0.00 0.00 -ATOM 10729 O1 H2O C3577 45.572 42.413 40.170 0.00 0.00 -ATOM 10730 H1 H2O C3577 44.859 42.523 40.862 0.00 0.00 -ATOM 10731 H2 H2O C3577 46.171 41.654 40.425 0.00 0.00 -ATOM 10732 O1 H2O C3578 3.532 2.388 54.622 0.00 0.00 -ATOM 10733 H1 H2O C3578 4.112 1.895 55.271 0.00 0.00 -ATOM 10734 H2 H2O C3578 3.837 2.195 53.689 0.00 0.00 -ATOM 10735 O1 H2O C3579 4.913 55.664 0.648 0.00 0.00 -ATOM 10736 H1 H2O C3579 5.573 56.053 0.005 0.00 0.00 -ATOM 10737 H2 H2O C3579 4.833 54.680 0.489 0.00 0.00 -ATOM 10738 O1 H2O C3580 24.700 40.466 12.025 0.00 0.00 -ATOM 10739 H1 H2O C3580 23.909 39.900 11.795 0.00 0.00 -ATOM 10740 H2 H2O C3580 25.504 39.883 12.144 0.00 0.00 -ATOM 10741 O1 H2O C3581 56.078 39.846 16.608 0.00 0.00 -ATOM 10742 H1 H2O C3581 56.464 40.462 17.295 0.00 0.00 -ATOM 10743 H2 H2O C3581 56.731 39.116 16.410 0.00 0.00 -ATOM 10744 O1 H2O C3582 28.439 45.281 42.120 0.00 0.00 -ATOM 10745 H1 H2O C3582 27.505 45.456 41.807 0.00 0.00 -ATOM 10746 H2 H2O C3582 28.423 45.013 43.083 0.00 0.00 -ATOM 10747 O1 H2O C3583 12.165 44.803 20.769 0.00 0.00 -ATOM 10748 H1 H2O C3583 13.150 44.712 20.620 0.00 0.00 -ATOM 10749 H2 H2O C3583 11.710 43.949 20.518 0.00 0.00 -ATOM 10750 O1 H2O C3584 3.010 5.960 50.113 0.00 0.00 -ATOM 10751 H1 H2O C3584 2.052 5.819 50.363 0.00 0.00 -ATOM 10752 H2 H2O C3584 3.599 5.494 50.773 0.00 0.00 -ATOM 10753 O1 H2O C3585 42.128 29.462 14.335 0.00 0.00 -ATOM 10754 H1 H2O C3585 41.722 30.133 14.955 0.00 0.00 -ATOM 10755 H2 H2O C3585 41.732 28.561 14.515 0.00 0.00 -ATOM 10756 O1 H2O C3586 17.458 51.293 26.115 0.00 0.00 -ATOM 10757 H1 H2O C3586 16.988 50.427 26.285 0.00 0.00 -ATOM 10758 H2 H2O C3586 18.262 51.357 26.706 0.00 0.00 -ATOM 10759 O1 H2O C3587 8.203 57.115 17.476 0.00 0.00 -ATOM 10760 H1 H2O C3587 7.585 56.476 17.935 0.00 0.00 -ATOM 10761 H2 H2O C3587 7.806 57.392 16.601 0.00 0.00 -ATOM 10762 O1 H2O C3588 31.905 13.298 41.074 0.00 0.00 -ATOM 10763 H1 H2O C3588 31.570 13.004 40.178 0.00 0.00 -ATOM 10764 H2 H2O C3588 32.181 14.258 41.026 0.00 0.00 -ATOM 10765 O1 H2O C3589 15.424 15.251 3.230 0.00 0.00 -ATOM 10766 H1 H2O C3589 14.946 15.735 2.497 0.00 0.00 -ATOM 10767 H2 H2O C3589 15.318 15.755 4.086 0.00 0.00 -ATOM 10768 O1 H2O C3590 46.475 45.851 40.160 0.00 0.00 -ATOM 10769 H1 H2O C3590 46.275 44.874 40.079 0.00 0.00 -ATOM 10770 H2 H2O C3590 46.806 46.197 39.282 0.00 0.00 -ATOM 10771 O1 H2O C3591 5.795 19.199 30.019 0.00 0.00 -ATOM 10772 H1 H2O C3591 6.346 18.553 29.491 0.00 0.00 -ATOM 10773 H2 H2O C3591 5.769 18.910 30.976 0.00 0.00 -ATOM 10774 O1 H2O C3592 9.205 36.678 1.946 0.00 0.00 -ATOM 10775 H1 H2O C3592 8.450 36.793 1.299 0.00 0.00 -ATOM 10776 H2 H2O C3592 9.632 37.565 2.121 0.00 0.00 -ATOM 10777 O1 H2O C3593 3.010 48.432 57.716 0.00 0.00 -ATOM 10778 H1 H2O C3593 3.569 48.515 58.541 0.00 0.00 -ATOM 10779 H2 H2O C3593 2.491 47.578 57.750 0.00 0.00 -ATOM 10780 O1 H2O C3594 54.297 55.588 15.673 0.00 0.00 -ATOM 10781 H1 H2O C3594 53.509 55.018 15.440 0.00 0.00 -ATOM 10782 H2 H2O C3594 54.031 56.259 16.365 0.00 0.00 -ATOM 10783 O1 H2O C3595 2.013 11.187 17.534 0.00 0.00 -ATOM 10784 H1 H2O C3595 2.467 10.829 16.717 0.00 0.00 -ATOM 10785 H2 H2O C3595 1.069 10.855 17.562 0.00 0.00 -ATOM 10786 O1 H2O C3596 34.516 4.272 0.224 0.00 0.00 -ATOM 10787 H1 H2O C3596 34.714 3.292 0.239 0.00 0.00 -ATOM 10788 H2 H2O C3596 33.644 4.442 0.684 0.00 0.00 -ATOM 10789 O1 H2O C3597 14.353 2.614 33.608 0.00 0.00 -ATOM 10790 H1 H2O C3597 13.797 3.408 33.364 0.00 0.00 -ATOM 10791 H2 H2O C3597 13.803 1.973 34.142 0.00 0.00 -ATOM 10792 O1 H2O C3598 21.492 58.847 39.122 0.00 0.00 -ATOM 10793 H1 H2O C3598 21.677 59.164 38.192 0.00 0.00 -ATOM 10794 H2 H2O C3598 21.082 57.935 39.088 0.00 0.00 -ATOM 10795 O1 H2O C3599 59.830 22.846 15.842 0.00 0.00 -ATOM 10796 H1 H2O C3599 59.069 22.819 16.491 0.00 0.00 -ATOM 10797 H2 H2O C3599 60.687 22.977 16.339 0.00 0.00 -ATOM 10798 O1 H2O C3600 59.600 57.559 40.576 0.00 0.00 -ATOM 10799 H1 H2O C3600 60.351 57.713 41.218 0.00 0.00 -ATOM 10800 H2 H2O C3600 59.406 56.579 40.520 0.00 0.00 -ATOM 10801 O1 H2O C3601 3.077 20.855 4.206 0.00 0.00 -ATOM 10802 H1 H2O C3601 2.110 20.597 4.192 0.00 0.00 -ATOM 10803 H2 H2O C3601 3.444 20.720 5.127 0.00 0.00 -ATOM 10804 O1 H2O C3602 40.194 8.028 5.791 0.00 0.00 -ATOM 10805 H1 H2O C3602 40.392 8.844 5.248 0.00 0.00 -ATOM 10806 H2 H2O C3602 39.204 7.926 5.889 0.00 0.00 -ATOM 10807 O1 H2O C3603 49.803 25.097 32.369 0.00 0.00 -ATOM 10808 H1 H2O C3603 50.434 25.830 32.625 0.00 0.00 -ATOM 10809 H2 H2O C3603 49.019 25.101 32.991 0.00 0.00 -ATOM 10810 O1 H2O C3604 10.443 2.250 38.966 0.00 0.00 -ATOM 10811 H1 H2O C3604 11.064 2.860 38.473 0.00 0.00 -ATOM 10812 H2 H2O C3604 10.307 2.595 39.895 0.00 0.00 -ATOM 10813 O1 H2O C3605 55.928 57.164 23.707 0.00 0.00 -ATOM 10814 H1 H2O C3605 55.629 57.019 22.764 0.00 0.00 -ATOM 10815 H2 H2O C3605 55.282 56.727 24.333 0.00 0.00 -ATOM 10816 O1 H2O C3606 33.628 28.501 53.755 0.00 0.00 -ATOM 10817 H1 H2O C3606 33.971 29.250 54.322 0.00 0.00 -ATOM 10818 H2 H2O C3606 33.545 27.674 54.311 0.00 0.00 -ATOM 10819 O1 H2O C3607 21.896 8.854 28.946 0.00 0.00 -ATOM 10820 H1 H2O C3607 21.050 8.773 28.419 0.00 0.00 -ATOM 10821 H2 H2O C3607 22.648 9.101 28.334 0.00 0.00 -ATOM 10822 O1 H2O C3608 52.534 41.971 43.212 0.00 0.00 -ATOM 10823 H1 H2O C3608 51.767 41.630 43.756 0.00 0.00 -ATOM 10824 H2 H2O C3608 52.846 41.252 42.590 0.00 0.00 -ATOM 10825 O1 H2O C3609 49.078 10.856 39.143 0.00 0.00 -ATOM 10826 H1 H2O C3609 48.552 11.483 38.567 0.00 0.00 -ATOM 10827 H2 H2O C3609 48.457 10.200 39.573 0.00 0.00 -ATOM 10828 O1 H2O C3610 57.249 42.684 44.051 0.00 0.00 -ATOM 10829 H1 H2O C3610 57.066 43.667 44.034 0.00 0.00 -ATOM 10830 H2 H2O C3610 57.224 42.357 44.996 0.00 0.00 -ATOM 10831 O1 H2O C3611 30.957 59.020 8.751 0.00 0.00 -ATOM 10832 H1 H2O C3611 31.546 59.723 9.150 0.00 0.00 -ATOM 10833 H2 H2O C3611 30.242 58.773 9.405 0.00 0.00 -ATOM 10834 O1 H2O C3612 14.274 6.813 57.895 0.00 0.00 -ATOM 10835 H1 H2O C3612 15.098 7.296 57.597 0.00 0.00 -ATOM 10836 H2 H2O C3612 14.112 6.029 57.296 0.00 0.00 -ATOM 10837 O1 H2O C3613 0.367 33.134 27.224 0.00 0.00 -ATOM 10838 H1 H2O C3613 0.578 32.216 27.559 0.00 0.00 -ATOM 10839 H2 H2O C3613 -0.510 33.120 26.744 0.00 0.00 -ATOM 10840 O1 H2O C3614 19.777 5.438 22.099 0.00 0.00 -ATOM 10841 H1 H2O C3614 19.492 6.110 21.416 0.00 0.00 -ATOM 10842 H2 H2O C3614 20.596 5.768 22.570 0.00 0.00 -ATOM 10843 O1 H2O C3615 27.501 35.421 24.759 0.00 0.00 -ATOM 10844 H1 H2O C3615 28.072 34.601 24.699 0.00 0.00 -ATOM 10845 H2 H2O C3615 27.540 35.785 25.691 0.00 0.00 -ATOM 10846 O1 H2O C3616 30.467 53.081 32.618 0.00 0.00 -ATOM 10847 H1 H2O C3616 30.557 53.363 31.662 0.00 0.00 -ATOM 10848 H2 H2O C3616 29.514 53.178 32.905 0.00 0.00 -ATOM 10849 O1 H2O C3617 38.565 22.515 31.418 0.00 0.00 -ATOM 10850 H1 H2O C3617 38.345 22.895 32.318 0.00 0.00 -ATOM 10851 H2 H2O C3617 39.222 21.769 31.524 0.00 0.00 -ATOM 10852 O1 H2O C3618 35.631 26.003 25.248 0.00 0.00 -ATOM 10853 H1 H2O C3618 35.998 26.024 24.318 0.00 0.00 -ATOM 10854 H2 H2O C3618 36.239 26.513 25.857 0.00 0.00 -ATOM 10855 O1 H2O C3619 53.158 3.978 10.668 0.00 0.00 -ATOM 10856 H1 H2O C3619 53.642 3.141 10.412 0.00 0.00 -ATOM 10857 H2 H2O C3619 53.376 4.213 11.615 0.00 0.00 -ATOM 10858 O1 H2O C3620 34.704 39.409 23.887 0.00 0.00 -ATOM 10859 H1 H2O C3620 35.558 39.163 23.428 0.00 0.00 -ATOM 10860 H2 H2O C3620 34.605 40.404 23.895 0.00 0.00 -ATOM 10861 O1 H2O C3621 47.761 53.918 16.780 0.00 0.00 -ATOM 10862 H1 H2O C3621 47.021 54.021 17.446 0.00 0.00 -ATOM 10863 H2 H2O C3621 48.169 54.812 16.596 0.00 0.00 -ATOM 10864 O1 H2O C3622 44.021 33.346 48.951 0.00 0.00 -ATOM 10865 H1 H2O C3622 43.655 33.414 49.879 0.00 0.00 -ATOM 10866 H2 H2O C3622 44.849 33.901 48.877 0.00 0.00 -ATOM 10867 O1 H2O C3623 50.604 5.844 10.958 0.00 0.00 -ATOM 10868 H1 H2O C3623 49.907 5.246 10.560 0.00 0.00 -ATOM 10869 H2 H2O C3623 50.524 5.830 11.956 0.00 0.00 -ATOM 10870 O1 H2O C3624 32.180 44.658 38.891 0.00 0.00 -ATOM 10871 H1 H2O C3624 32.380 45.530 38.445 0.00 0.00 -ATOM 10872 H2 H2O C3624 32.980 44.061 38.830 0.00 0.00 -ATOM 10873 O1 H2O C3625 21.676 31.964 22.199 0.00 0.00 -ATOM 10874 H1 H2O C3625 22.468 32.360 21.736 0.00 0.00 -ATOM 10875 H2 H2O C3625 21.023 31.633 21.518 0.00 0.00 -ATOM 10876 O1 H2O C3626 26.835 51.740 21.852 0.00 0.00 -ATOM 10877 H1 H2O C3626 27.458 51.836 21.074 0.00 0.00 -ATOM 10878 H2 H2O C3626 27.278 51.198 22.567 0.00 0.00 -ATOM 10879 O1 H2O C3627 42.804 12.643 33.805 0.00 0.00 -ATOM 10880 H1 H2O C3627 42.491 11.777 33.414 0.00 0.00 -ATOM 10881 H2 H2O C3627 42.378 13.403 33.314 0.00 0.00 -ATOM 10882 O1 H2O C3628 41.191 37.600 30.378 0.00 0.00 -ATOM 10883 H1 H2O C3628 41.139 36.903 31.094 0.00 0.00 -ATOM 10884 H2 H2O C3628 41.623 37.211 29.564 0.00 0.00 -ATOM 10885 O1 H2O C3629 8.721 34.325 8.540 0.00 0.00 -ATOM 10886 H1 H2O C3629 9.347 33.583 8.784 0.00 0.00 -ATOM 10887 H2 H2O C3629 8.873 35.103 9.151 0.00 0.00 -ATOM 10888 O1 H2O C3630 51.611 39.737 17.256 0.00 0.00 -ATOM 10889 H1 H2O C3630 52.080 40.085 16.444 0.00 0.00 -ATOM 10890 H2 H2O C3630 51.456 40.488 17.898 0.00 0.00 -ATOM 10891 O1 H2O C3631 57.209 12.682 9.588 0.00 0.00 -ATOM 10892 H1 H2O C3631 56.531 12.600 8.857 0.00 0.00 -ATOM 10893 H2 H2O C3631 57.799 11.875 9.588 0.00 0.00 -ATOM 10894 O1 H2O C3632 12.481 46.892 17.088 0.00 0.00 -ATOM 10895 H1 H2O C3632 11.741 47.453 16.717 0.00 0.00 -ATOM 10896 H2 H2O C3632 13.268 46.930 16.472 0.00 0.00 -ATOM 10897 O1 H2O C3633 15.341 21.187 23.620 0.00 0.00 -ATOM 10898 H1 H2O C3633 14.937 21.570 24.451 0.00 0.00 -ATOM 10899 H2 H2O C3633 14.614 20.857 23.018 0.00 0.00 -ATOM 10900 O1 H2O C3634 19.497 18.885 37.836 0.00 0.00 -ATOM 10901 H1 H2O C3634 20.413 19.286 37.820 0.00 0.00 -ATOM 10902 H2 H2O C3634 18.932 19.374 38.501 0.00 0.00 -ATOM 10903 O1 H2O C3635 46.523 52.455 16.819 0.00 0.00 -ATOM 10904 H1 H2O C3635 45.831 51.806 17.137 0.00 0.00 -ATOM 10905 H2 H2O C3635 47.348 52.362 17.378 0.00 0.00 -ATOM 10906 O1 H2O C3636 32.162 27.375 22.509 0.00 0.00 -ATOM 10907 H1 H2O C3636 32.615 26.512 22.733 0.00 0.00 -ATOM 10908 H2 H2O C3636 32.052 27.446 21.518 0.00 0.00 -ATOM 10909 O1 H2O C3637 13.314 55.548 13.295 0.00 0.00 -ATOM 10910 H1 H2O C3637 13.193 56.013 14.172 0.00 0.00 -ATOM 10911 H2 H2O C3637 12.716 54.747 13.257 0.00 0.00 -ATOM 10912 O1 H2O C3638 15.278 43.511 3.597 0.00 0.00 -ATOM 10913 H1 H2O C3638 14.504 42.946 3.880 0.00 0.00 -ATOM 10914 H2 H2O C3638 14.966 44.205 2.948 0.00 0.00 -ATOM 10915 O1 H2O C3639 6.237 41.761 25.095 0.00 0.00 -ATOM 10916 H1 H2O C3639 5.954 42.710 25.228 0.00 0.00 -ATOM 10917 H2 H2O C3639 7.125 41.613 25.530 0.00 0.00 -ATOM 10918 O1 H2O C3640 7.577 18.898 36.769 0.00 0.00 -ATOM 10919 H1 H2O C3640 7.850 19.414 37.581 0.00 0.00 -ATOM 10920 H2 H2O C3640 8.298 18.248 36.529 0.00 0.00 -ATOM 10921 O1 H2O C3641 4.507 30.852 45.961 0.00 0.00 -ATOM 10922 H1 H2O C3641 3.741 30.340 46.350 0.00 0.00 -ATOM 10923 H2 H2O C3641 4.981 30.283 45.289 0.00 0.00 -ATOM 10924 O1 H2O C3642 51.333 41.679 30.033 0.00 0.00 -ATOM 10925 H1 H2O C3642 52.199 41.249 29.778 0.00 0.00 -ATOM 10926 H2 H2O C3642 51.480 42.284 30.816 0.00 0.00 -ATOM 10927 O1 H2O C3643 33.340 54.774 41.832 0.00 0.00 -ATOM 10928 H1 H2O C3643 32.349 54.637 41.817 0.00 0.00 -ATOM 10929 H2 H2O C3643 33.675 54.885 40.896 0.00 0.00 -ATOM 10930 O1 H2O C3644 5.909 38.502 29.547 0.00 0.00 -ATOM 10931 H1 H2O C3644 5.486 38.797 30.403 0.00 0.00 -ATOM 10932 H2 H2O C3644 5.318 37.831 29.097 0.00 0.00 -ATOM 10933 O1 H2O C3645 59.001 16.187 5.428 0.00 0.00 -ATOM 10934 H1 H2O C3645 58.871 15.542 4.676 0.00 0.00 -ATOM 10935 H2 H2O C3645 59.979 16.341 5.570 0.00 0.00 -ATOM 10936 O1 H2O C3646 11.136 52.621 54.881 0.00 0.00 -ATOM 10937 H1 H2O C3646 10.768 53.512 55.146 0.00 0.00 -ATOM 10938 H2 H2O C3646 12.136 52.662 54.870 0.00 0.00 -ATOM 10939 O1 H2O C3647 13.233 32.043 25.165 0.00 0.00 -ATOM 10940 H1 H2O C3647 12.453 32.664 25.087 0.00 0.00 -ATOM 10941 H2 H2O C3647 13.834 32.161 24.375 0.00 0.00 -ATOM 10942 O1 H2O C3648 52.624 35.480 41.245 0.00 0.00 -ATOM 10943 H1 H2O C3648 52.294 34.869 41.965 0.00 0.00 -ATOM 10944 H2 H2O C3648 53.273 34.988 40.663 0.00 0.00 -ATOM 10945 O1 H2O C3649 51.282 20.261 25.016 0.00 0.00 -ATOM 10946 H1 H2O C3649 50.586 19.902 24.394 0.00 0.00 -ATOM 10947 H2 H2O C3649 51.762 19.502 25.454 0.00 0.00 -ATOM 10948 O1 H2O C3650 43.990 0.765 4.158 0.00 0.00 -ATOM 10949 H1 H2O C3650 43.106 0.881 4.612 0.00 0.00 -ATOM 10950 H2 H2O C3650 43.944 -0.017 3.535 0.00 0.00 -ATOM 10951 O1 H2O C3651 48.773 13.659 55.673 0.00 0.00 -ATOM 10952 H1 H2O C3651 48.341 12.763 55.568 0.00 0.00 -ATOM 10953 H2 H2O C3651 48.420 14.283 54.976 0.00 0.00 -ATOM 10954 O1 H2O C3652 24.204 13.270 3.816 0.00 0.00 -ATOM 10955 H1 H2O C3652 23.915 12.908 4.703 0.00 0.00 -ATOM 10956 H2 H2O C3652 24.044 12.581 3.108 0.00 0.00 -ATOM 10957 O1 H2O C3653 32.802 19.391 53.873 0.00 0.00 -ATOM 10958 H1 H2O C3653 33.350 18.985 53.142 0.00 0.00 -ATOM 10959 H2 H2O C3653 32.239 18.684 54.300 0.00 0.00 -ATOM 10960 O1 H2O C3654 12.286 11.514 58.012 0.00 0.00 -ATOM 10961 H1 H2O C3654 13.154 11.020 57.952 0.00 0.00 -ATOM 10962 H2 H2O C3654 11.824 11.482 57.125 0.00 0.00 -ATOM 10963 O1 H2O C3655 26.020 11.606 52.768 0.00 0.00 -ATOM 10964 H1 H2O C3655 26.933 11.251 52.564 0.00 0.00 -ATOM 10965 H2 H2O C3655 26.029 12.048 53.666 0.00 0.00 -ATOM 10966 O1 H2O C3656 44.011 40.734 27.833 0.00 0.00 -ATOM 10967 H1 H2O C3656 44.649 40.602 27.073 0.00 0.00 -ATOM 10968 H2 H2O C3656 44.335 40.226 28.632 0.00 0.00 -ATOM 10969 O1 H2O C3657 28.994 16.341 11.457 0.00 0.00 -ATOM 10970 H1 H2O C3657 28.444 15.512 11.564 0.00 0.00 -ATOM 10971 H2 H2O C3657 28.424 17.144 11.631 0.00 0.00 -ATOM 10972 O1 H2O C3658 51.969 45.052 52.273 0.00 0.00 -ATOM 10973 H1 H2O C3658 51.512 44.948 51.389 0.00 0.00 -ATOM 10974 H2 H2O C3658 52.153 44.148 52.661 0.00 0.00 -ATOM 10975 O1 H2O C3659 41.253 18.460 45.756 0.00 0.00 -ATOM 10976 H1 H2O C3659 40.807 19.177 46.291 0.00 0.00 -ATOM 10977 H2 H2O C3659 40.810 17.583 45.939 0.00 0.00 -ATOM 10978 O1 H2O C3660 33.998 34.446 7.410 0.00 0.00 -ATOM 10979 H1 H2O C3660 33.694 35.372 7.183 0.00 0.00 -ATOM 10980 H2 H2O C3660 34.725 34.493 8.094 0.00 0.00 -ATOM 10981 O1 H2O C3661 49.873 35.846 18.990 0.00 0.00 -ATOM 10982 H1 H2O C3661 49.442 35.175 18.385 0.00 0.00 -ATOM 10983 H2 H2O C3661 50.531 35.382 19.585 0.00 0.00 -ATOM 10984 O1 H2O C3662 35.090 51.887 16.966 0.00 0.00 -ATOM 10985 H1 H2O C3662 35.144 51.600 16.009 0.00 0.00 -ATOM 10986 H2 H2O C3662 35.695 52.669 17.114 0.00 0.00 -ATOM 10987 O1 H2O C3663 24.422 9.395 59.282 0.00 0.00 -ATOM 10988 H1 H2O C3663 24.810 8.476 59.221 0.00 0.00 -ATOM 10989 H2 H2O C3663 23.670 9.396 59.942 0.00 0.00 -ATOM 10990 O1 H2O C3664 29.824 34.899 42.027 0.00 0.00 -ATOM 10991 H1 H2O C3664 29.489 35.677 42.559 0.00 0.00 -ATOM 10992 H2 H2O C3664 30.747 35.095 41.696 0.00 0.00 -ATOM 10993 O1 H2O C3665 52.159 43.669 21.303 0.00 0.00 -ATOM 10994 H1 H2O C3665 51.510 42.931 21.120 0.00 0.00 -ATOM 10995 H2 H2O C3665 53.091 43.307 21.279 0.00 0.00 -ATOM 10996 O1 H2O C3666 53.357 1.435 57.682 0.00 0.00 -ATOM 10997 H1 H2O C3666 52.634 1.839 57.122 0.00 0.00 -ATOM 10998 H2 H2O C3666 53.720 2.126 58.307 0.00 0.00 -ATOM 10999 O1 H2O C3667 14.811 50.808 14.437 0.00 0.00 -ATOM 11000 H1 H2O C3667 14.620 49.851 14.219 0.00 0.00 -ATOM 11001 H2 H2O C3667 14.507 51.005 15.369 0.00 0.00 -ATOM 11002 O1 H2O C3668 38.049 9.251 5.714 0.00 0.00 -ATOM 11003 H1 H2O C3668 37.685 10.015 6.247 0.00 0.00 -ATOM 11004 H2 H2O C3668 37.297 8.654 5.431 0.00 0.00 -ATOM 11005 O1 H2O C3669 36.480 34.942 27.046 0.00 0.00 -ATOM 11006 H1 H2O C3669 37.110 35.619 27.427 0.00 0.00 -ATOM 11007 H2 H2O C3669 36.831 34.022 27.225 0.00 0.00 -ATOM 11008 O1 H2O C3670 45.118 24.146 42.515 0.00 0.00 -ATOM 11009 H1 H2O C3670 45.848 23.729 43.057 0.00 0.00 -ATOM 11010 H2 H2O C3670 45.372 25.086 42.283 0.00 0.00 -ATOM 11011 O1 H2O C3671 20.037 23.961 21.891 0.00 0.00 -ATOM 11012 H1 H2O C3671 19.228 24.143 22.449 0.00 0.00 -ATOM 11013 H2 H2O C3671 19.760 23.525 21.034 0.00 0.00 -ATOM 11014 O1 H2O C3672 17.707 20.585 48.398 0.00 0.00 -ATOM 11015 H1 H2O C3672 16.890 20.649 47.825 0.00 0.00 -ATOM 11016 H2 H2O C3672 17.504 20.942 49.310 0.00 0.00 -ATOM 11017 O1 H2O C3673 7.383 21.034 57.216 0.00 0.00 -ATOM 11018 H1 H2O C3673 7.559 20.324 57.899 0.00 0.00 -ATOM 11019 H2 H2O C3673 7.164 20.605 56.339 0.00 0.00 -ATOM 11020 O1 H2O C3674 58.304 56.570 27.062 0.00 0.00 -ATOM 11021 H1 H2O C3674 58.617 57.499 26.867 0.00 0.00 -ATOM 11022 H2 H2O C3674 59.069 55.933 26.964 0.00 0.00 -ATOM 11023 O1 H2O C3675 5.953 20.185 8.046 0.00 0.00 -ATOM 11024 H1 H2O C3675 5.795 21.111 7.702 0.00 0.00 -ATOM 11025 H2 H2O C3675 5.305 19.987 8.781 0.00 0.00 -ATOM 11026 O1 H2O C3676 4.356 5.306 55.614 0.00 0.00 -ATOM 11027 H1 H2O C3676 3.941 6.194 55.812 0.00 0.00 -ATOM 11028 H2 H2O C3676 4.352 4.744 56.441 0.00 0.00 -ATOM 11029 O1 H2O C3677 52.348 58.128 39.032 0.00 0.00 -ATOM 11030 H1 H2O C3677 53.159 57.607 38.764 0.00 0.00 -ATOM 11031 H2 H2O C3677 52.408 59.054 38.660 0.00 0.00 -ATOM 11032 O1 H2O C3678 37.838 32.075 34.477 0.00 0.00 -ATOM 11033 H1 H2O C3678 37.304 32.904 34.651 0.00 0.00 -ATOM 11034 H2 H2O C3678 37.230 31.281 34.486 0.00 0.00 -ATOM 11035 O1 H2O C3679 45.499 57.614 2.242 0.00 0.00 -ATOM 11036 H1 H2O C3679 46.487 57.472 2.174 0.00 0.00 -ATOM 11037 H2 H2O C3679 45.067 57.369 1.374 0.00 0.00 -ATOM 11038 O1 H2O C3680 17.516 8.989 6.646 0.00 0.00 -ATOM 11039 H1 H2O C3680 16.633 9.323 6.977 0.00 0.00 -ATOM 11040 H2 H2O C3680 18.003 9.733 6.188 0.00 0.00 -ATOM 11041 O1 H2O C3681 58.142 3.264 25.304 0.00 0.00 -ATOM 11042 H1 H2O C3681 59.078 2.996 25.533 0.00 0.00 -ATOM 11043 H2 H2O C3681 57.693 3.634 26.117 0.00 0.00 -ATOM 11044 O1 H2O C3682 55.009 16.098 29.251 0.00 0.00 -ATOM 11045 H1 H2O C3682 55.248 16.200 30.217 0.00 0.00 -ATOM 11046 H2 H2O C3682 54.027 15.927 29.167 0.00 0.00 -ATOM 11047 O1 H2O C3683 38.614 22.609 51.454 0.00 0.00 -ATOM 11048 H1 H2O C3683 38.687 21.780 50.900 0.00 0.00 -ATOM 11049 H2 H2O C3683 38.021 22.434 52.240 0.00 0.00 -ATOM 11050 O1 H2O C3684 36.296 47.362 16.687 0.00 0.00 -ATOM 11051 H1 H2O C3684 36.655 47.161 17.598 0.00 0.00 -ATOM 11052 H2 H2O C3684 35.314 47.170 16.666 0.00 0.00 -ATOM 11053 O1 H2O C3685 -0.059 0.368 43.025 0.00 0.00 -ATOM 11054 H1 H2O C3685 0.606 0.236 43.760 0.00 0.00 -ATOM 11055 H2 H2O C3685 -0.177 -0.489 42.524 0.00 0.00 -ATOM 11056 O1 H2O C3686 18.560 27.647 32.768 0.00 0.00 -ATOM 11057 H1 H2O C3686 18.323 26.772 32.346 0.00 0.00 -ATOM 11058 H2 H2O C3686 18.106 27.723 33.655 0.00 0.00 -ATOM 11059 O1 H2O C3687 34.893 27.484 53.900 0.00 0.00 -ATOM 11060 H1 H2O C3687 35.564 26.913 53.428 0.00 0.00 -ATOM 11061 H2 H2O C3687 34.583 27.018 54.729 0.00 0.00 -ATOM 11062 O1 H2O C3688 19.502 14.060 38.140 0.00 0.00 -ATOM 11063 H1 H2O C3688 18.861 14.646 38.636 0.00 0.00 -ATOM 11064 H2 H2O C3688 20.229 13.763 38.760 0.00 0.00 -ATOM 11065 O1 H2O C3689 21.222 42.079 4.117 0.00 0.00 -ATOM 11066 H1 H2O C3689 21.692 41.837 4.965 0.00 0.00 -ATOM 11067 H2 H2O C3689 21.031 43.060 4.109 0.00 0.00 -ATOM 11068 O1 H2O C3690 45.326 21.491 0.644 0.00 0.00 -ATOM 11069 H1 H2O C3690 45.609 20.787 -0.008 0.00 0.00 -ATOM 11070 H2 H2O C3690 44.504 21.188 1.126 0.00 0.00 -ATOM 11071 O1 H2O C3691 45.990 57.727 50.225 0.00 0.00 -ATOM 11072 H1 H2O C3691 46.822 57.715 50.780 0.00 0.00 -ATOM 11073 H2 H2O C3691 45.900 56.857 49.741 0.00 0.00 -ATOM 11074 O1 H2O C3692 29.452 30.807 4.443 0.00 0.00 -ATOM 11075 H1 H2O C3692 28.838 31.188 5.134 0.00 0.00 -ATOM 11076 H2 H2O C3692 30.279 31.366 4.387 0.00 0.00 -ATOM 11077 O1 H2O C3693 47.106 9.173 1.554 0.00 0.00 -ATOM 11078 H1 H2O C3693 46.416 9.823 1.873 0.00 0.00 -ATOM 11079 H2 H2O C3693 47.312 9.352 0.592 0.00 0.00 -ATOM 11080 O1 H2O C3694 2.014 8.268 12.988 0.00 0.00 -ATOM 11081 H1 H2O C3694 1.910 8.998 13.663 0.00 0.00 -ATOM 11082 H2 H2O C3694 2.915 7.846 13.088 0.00 0.00 -ATOM 11083 O1 H2O C3695 30.916 10.564 11.880 0.00 0.00 -ATOM 11084 H1 H2O C3695 31.056 9.671 12.308 0.00 0.00 -ATOM 11085 H2 H2O C3695 30.428 11.164 12.515 0.00 0.00 -ATOM 11086 O1 H2O C3696 52.917 7.787 21.684 0.00 0.00 -ATOM 11087 H1 H2O C3696 52.876 8.481 22.403 0.00 0.00 -ATOM 11088 H2 H2O C3696 51.993 7.465 21.478 0.00 0.00 -ATOM 11089 O1 H2O C3697 1.931 19.632 22.772 0.00 0.00 -ATOM 11090 H1 H2O C3697 1.350 18.851 23.004 0.00 0.00 -ATOM 11091 H2 H2O C3697 1.512 20.473 23.113 0.00 0.00 -ATOM 11092 O1 H2O C3698 51.046 1.243 19.520 0.00 0.00 -ATOM 11093 H1 H2O C3698 50.933 1.005 18.555 0.00 0.00 -ATOM 11094 H2 H2O C3698 50.186 1.082 20.006 0.00 0.00 -ATOM 11095 O1 H2O C3699 42.111 53.497 17.128 0.00 0.00 -ATOM 11096 H1 H2O C3699 42.056 52.523 17.346 0.00 0.00 -ATOM 11097 H2 H2O C3699 41.971 53.628 16.147 0.00 0.00 -ATOM 11098 O1 H2O C3700 49.401 6.064 46.372 0.00 0.00 -ATOM 11099 H1 H2O C3700 49.867 6.915 46.615 0.00 0.00 -ATOM 11100 H2 H2O C3700 49.401 5.447 47.160 0.00 0.00 -ATOM 11101 O1 H2O C3701 49.213 28.240 44.021 0.00 0.00 -ATOM 11102 H1 H2O C3701 48.630 27.601 44.522 0.00 0.00 -ATOM 11103 H2 H2O C3701 49.032 28.157 43.041 0.00 0.00 -ATOM 11104 O1 H2O C3702 12.910 5.052 1.224 0.00 0.00 -ATOM 11105 H1 H2O C3702 12.623 4.726 2.125 0.00 0.00 -ATOM 11106 H2 H2O C3702 13.810 5.482 1.296 0.00 0.00 -ATOM 11107 O1 H2O C3703 9.459 4.124 27.236 0.00 0.00 -ATOM 11108 H1 H2O C3703 8.486 3.971 27.410 0.00 0.00 -ATOM 11109 H2 H2O C3703 9.772 3.501 26.519 0.00 0.00 -ATOM 11110 O1 H2O C3704 59.027 25.598 28.333 0.00 0.00 -ATOM 11111 H1 H2O C3704 59.109 25.672 29.327 0.00 0.00 -ATOM 11112 H2 H2O C3704 59.279 24.674 28.046 0.00 0.00 -ATOM 11113 O1 H2O C3705 39.135 46.670 19.935 0.00 0.00 -ATOM 11114 H1 H2O C3705 40.131 46.671 19.839 0.00 0.00 -ATOM 11115 H2 H2O C3705 38.892 46.439 20.878 0.00 0.00 -ATOM 11116 O1 H2O C3706 47.903 20.925 32.659 0.00 0.00 -ATOM 11117 H1 H2O C3706 48.508 20.688 33.420 0.00 0.00 -ATOM 11118 H2 H2O C3706 47.710 21.907 32.681 0.00 0.00 -ATOM 11119 O1 H2O C3707 17.309 3.231 7.509 0.00 0.00 -ATOM 11120 H1 H2O C3707 16.403 3.050 7.890 0.00 0.00 -ATOM 11121 H2 H2O C3707 18.010 2.936 8.158 0.00 0.00 -ATOM 11122 O1 H2O C3708 39.230 17.621 35.990 0.00 0.00 -ATOM 11123 H1 H2O C3708 38.258 17.496 35.793 0.00 0.00 -ATOM 11124 H2 H2O C3708 39.409 17.386 36.946 0.00 0.00 -ATOM 11125 O1 H2O C3709 43.730 39.099 43.569 0.00 0.00 -ATOM 11126 H1 H2O C3709 43.138 39.605 44.196 0.00 0.00 -ATOM 11127 H2 H2O C3709 44.250 38.415 44.080 0.00 0.00 -ATOM 11128 O1 H2O C3710 29.727 47.414 10.127 0.00 0.00 -ATOM 11129 H1 H2O C3710 30.584 47.107 10.543 0.00 0.00 -ATOM 11130 H2 H2O C3710 29.821 47.413 9.131 0.00 0.00 -ATOM 11131 O1 H2O C3711 45.284 49.198 29.073 0.00 0.00 -ATOM 11132 H1 H2O C3711 45.699 48.848 29.914 0.00 0.00 -ATOM 11133 H2 H2O C3711 44.912 48.435 28.544 0.00 0.00 -ATOM 11134 O1 H2O C3712 25.330 15.192 20.675 0.00 0.00 -ATOM 11135 H1 H2O C3712 26.107 15.610 20.204 0.00 0.00 -ATOM 11136 H2 H2O C3712 25.646 14.749 21.514 0.00 0.00 -ATOM 11137 O1 H2O C3713 40.197 9.884 1.003 0.00 0.00 -ATOM 11138 H1 H2O C3713 40.268 8.956 0.638 0.00 0.00 -ATOM 11139 H2 H2O C3713 39.370 10.320 0.648 0.00 0.00 -ATOM 11140 O1 H2O C3714 24.496 23.225 5.918 0.00 0.00 -ATOM 11141 H1 H2O C3714 25.287 22.620 6.007 0.00 0.00 -ATOM 11142 H2 H2O C3714 24.260 23.600 6.814 0.00 0.00 -ATOM 11143 O1 H2O C3715 22.213 17.757 15.743 0.00 0.00 -ATOM 11144 H1 H2O C3715 22.424 17.308 16.611 0.00 0.00 -ATOM 11145 H2 H2O C3715 21.224 17.740 15.591 0.00 0.00 -ATOM 11146 O1 H2O C3716 33.819 19.422 18.950 0.00 0.00 -ATOM 11147 H1 H2O C3716 33.070 18.862 18.598 0.00 0.00 -ATOM 11148 H2 H2O C3716 33.862 19.334 19.945 0.00 0.00 -ATOM 11149 O1 H2O C3717 7.207 35.951 42.408 0.00 0.00 -ATOM 11150 H1 H2O C3717 7.616 36.208 43.283 0.00 0.00 -ATOM 11151 H2 H2O C3717 7.272 36.719 41.771 0.00 0.00 -ATOM 11152 O1 H2O C3718 45.636 32.618 43.419 0.00 0.00 -ATOM 11153 H1 H2O C3718 45.681 33.162 42.582 0.00 0.00 -ATOM 11154 H2 H2O C3718 45.086 31.798 43.256 0.00 0.00 -ATOM 11155 O1 H2O C3719 10.299 9.272 8.392 0.00 0.00 -ATOM 11156 H1 H2O C3719 10.080 8.780 7.549 0.00 0.00 -ATOM 11157 H2 H2O C3719 11.051 8.809 8.862 0.00 0.00 -ATOM 11158 O1 H2O C3720 31.675 44.601 43.160 0.00 0.00 -ATOM 11159 H1 H2O C3720 32.312 44.773 43.912 0.00 0.00 -ATOM 11160 H2 H2O C3720 31.416 43.635 43.159 0.00 0.00 -ATOM 11161 O1 H2O C3721 23.324 38.937 33.437 0.00 0.00 -ATOM 11162 H1 H2O C3721 22.429 38.905 32.992 0.00 0.00 -ATOM 11163 H2 H2O C3721 23.214 39.231 34.386 0.00 0.00 -ATOM 11164 O1 H2O C3722 29.302 9.409 8.233 0.00 0.00 -ATOM 11165 H1 H2O C3722 28.469 9.742 7.792 0.00 0.00 -ATOM 11166 H2 H2O C3722 29.751 10.164 8.711 0.00 0.00 -ATOM 11167 O1 H2O C3723 36.412 59.000 1.102 0.00 0.00 -ATOM 11168 H1 H2O C3723 35.672 59.398 0.562 0.00 0.00 -ATOM 11169 H2 H2O C3723 36.035 58.327 1.739 0.00 0.00 -ATOM 11170 O1 H2O C3724 30.466 45.659 17.355 0.00 0.00 -ATOM 11171 H1 H2O C3724 30.467 46.659 17.336 0.00 0.00 -ATOM 11172 H2 H2O C3724 29.631 45.318 16.924 0.00 0.00 -ATOM 11173 O1 H2O C3725 24.896 23.845 33.353 0.00 0.00 -ATOM 11174 H1 H2O C3725 24.723 24.724 32.908 0.00 0.00 -ATOM 11175 H2 H2O C3725 24.885 23.117 32.668 0.00 0.00 -ATOM 11176 O1 H2O C3726 46.379 22.398 23.700 0.00 0.00 -ATOM 11177 H1 H2O C3726 47.260 22.767 23.404 0.00 0.00 -ATOM 11178 H2 H2O C3726 46.276 22.534 24.686 0.00 0.00 -ATOM 11179 O1 H2O C3727 20.314 28.565 11.740 0.00 0.00 -ATOM 11180 H1 H2O C3727 19.615 28.603 12.454 0.00 0.00 -ATOM 11181 H2 H2O C3727 20.996 27.874 11.978 0.00 0.00 -ATOM 11182 O1 H2O C3728 50.783 4.453 35.339 0.00 0.00 -ATOM 11183 H1 H2O C3728 50.677 5.447 35.336 0.00 0.00 -ATOM 11184 H2 H2O C3728 51.027 4.141 34.420 0.00 0.00 -ATOM 11185 O1 H2O C3729 50.263 28.317 9.362 0.00 0.00 -ATOM 11186 H1 H2O C3729 50.327 29.153 9.907 0.00 0.00 -ATOM 11187 H2 H2O C3729 50.962 27.669 9.662 0.00 0.00 -ATOM 11188 O1 H2O C3730 28.720 21.647 46.496 0.00 0.00 -ATOM 11189 H1 H2O C3730 29.252 22.332 45.997 0.00 0.00 -ATOM 11190 H2 H2O C3730 27.745 21.808 46.344 0.00 0.00 -ATOM 11191 O1 H2O C3731 55.173 37.184 26.766 0.00 0.00 -ATOM 11192 H1 H2O C3731 55.207 36.560 27.546 0.00 0.00 -ATOM 11193 H2 H2O C3731 55.004 36.663 25.929 0.00 0.00 -ATOM 11194 O1 H2O C3732 12.057 21.139 20.518 0.00 0.00 -ATOM 11195 H1 H2O C3732 11.825 21.651 19.690 0.00 0.00 -ATOM 11196 H2 H2O C3732 11.908 20.163 20.358 0.00 0.00 -ATOM 11197 O1 H2O C3733 52.131 45.071 4.218 0.00 0.00 -ATOM 11198 H1 H2O C3733 52.711 44.302 4.487 0.00 0.00 -ATOM 11199 H2 H2O C3733 52.222 45.227 3.233 0.00 0.00 -ATOM 11200 O1 H2O C3734 6.898 16.839 16.684 0.00 0.00 -ATOM 11201 H1 H2O C3734 6.348 16.346 17.358 0.00 0.00 -ATOM 11202 H2 H2O C3734 6.508 17.747 16.536 0.00 0.00 -ATOM 11203 O1 H2O C3735 33.574 29.702 26.120 0.00 0.00 -ATOM 11204 H1 H2O C3735 34.497 29.845 26.481 0.00 0.00 -ATOM 11205 H2 H2O C3735 33.621 29.583 25.127 0.00 0.00 -ATOM 11206 O1 H2O C3736 52.950 26.357 12.935 0.00 0.00 -ATOM 11207 H1 H2O C3736 53.388 25.953 13.738 0.00 0.00 -ATOM 11208 H2 H2O C3736 53.523 26.201 12.130 0.00 0.00 -ATOM 11209 O1 H2O C3737 44.072 40.110 42.262 0.00 0.00 -ATOM 11210 H1 H2O C3737 45.043 39.971 42.065 0.00 0.00 -ATOM 11211 H2 H2O C3737 43.577 39.253 42.121 0.00 0.00 -ATOM 11212 O1 H2O C3738 49.736 56.005 50.000 0.00 0.00 -ATOM 11213 H1 H2O C3738 49.522 55.482 50.826 0.00 0.00 -ATOM 11214 H2 H2O C3738 49.924 55.376 49.246 0.00 0.00 -ATOM 11215 O1 H2O C3739 28.868 13.382 48.103 0.00 0.00 -ATOM 11216 H1 H2O C3739 28.824 12.987 49.021 0.00 0.00 -ATOM 11217 H2 H2O C3739 29.747 13.155 47.684 0.00 0.00 -ATOM 11218 O1 H2O C3740 30.631 6.955 12.314 0.00 0.00 -ATOM 11219 H1 H2O C3740 30.016 6.223 12.607 0.00 0.00 -ATOM 11220 H2 H2O C3740 30.921 6.790 11.371 0.00 0.00 -ATOM 11221 O1 H2O C3741 24.690 20.916 29.517 0.00 0.00 -ATOM 11222 H1 H2O C3741 23.991 21.087 30.211 0.00 0.00 -ATOM 11223 H2 H2O C3741 24.498 21.472 28.707 0.00 0.00 -ATOM 11224 O1 H2O C3742 5.633 28.392 2.374 0.00 0.00 -ATOM 11225 H1 H2O C3742 4.716 28.343 1.979 0.00 0.00 -ATOM 11226 H2 H2O C3742 6.229 28.917 1.766 0.00 0.00 -ATOM 11227 O1 H2O C3743 29.767 40.950 6.824 0.00 0.00 -ATOM 11228 H1 H2O C3743 29.118 40.804 6.077 0.00 0.00 -ATOM 11229 H2 H2O C3743 30.491 41.569 6.520 0.00 0.00 -ATOM 11230 O1 H2O C3744 11.473 41.670 20.714 0.00 0.00 -ATOM 11231 H1 H2O C3744 11.521 40.671 20.679 0.00 0.00 -ATOM 11232 H2 H2O C3744 11.763 42.048 19.834 0.00 0.00 -ATOM 11233 O1 H2O C3745 35.229 33.971 2.209 0.00 0.00 -ATOM 11234 H1 H2O C3745 35.690 34.765 2.604 0.00 0.00 -ATOM 11235 H2 H2O C3745 35.643 33.750 1.326 0.00 0.00 -ATOM 11236 O1 H2O C3746 2.077 13.231 26.711 0.00 0.00 -ATOM 11237 H1 H2O C3746 1.166 13.455 27.058 0.00 0.00 -ATOM 11238 H2 H2O C3746 1.999 12.536 25.996 0.00 0.00 -ATOM 11239 O1 H2O C3747 43.028 4.539 54.566 0.00 0.00 -ATOM 11240 H1 H2O C3747 42.756 5.221 55.244 0.00 0.00 -ATOM 11241 H2 H2O C3747 43.909 4.795 54.170 0.00 0.00 -ATOM 11242 O1 H2O C3748 48.371 30.759 21.934 0.00 0.00 -ATOM 11243 H1 H2O C3748 48.422 29.874 21.471 0.00 0.00 -ATOM 11244 H2 H2O C3748 47.469 30.863 22.354 0.00 0.00 -ATOM 11245 O1 H2O C3749 13.699 10.125 11.938 0.00 0.00 -ATOM 11246 H1 H2O C3749 13.502 9.941 12.901 0.00 0.00 -ATOM 11247 H2 H2O C3749 13.180 9.491 11.364 0.00 0.00 -ATOM 11248 O1 H2O C3750 10.395 38.570 17.014 0.00 0.00 -ATOM 11249 H1 H2O C3750 10.272 38.964 17.925 0.00 0.00 -ATOM 11250 H2 H2O C3750 9.527 38.187 16.697 0.00 0.00 -ATOM 11251 O1 H2O C3751 0.660 1.133 38.420 0.00 0.00 -ATOM 11252 H1 H2O C3751 0.973 2.082 38.388 0.00 0.00 -ATOM 11253 H2 H2O C3751 1.060 0.677 39.215 0.00 0.00 -ATOM 11254 O1 H2O C3752 19.400 28.427 14.961 0.00 0.00 -ATOM 11255 H1 H2O C3752 19.422 29.000 14.142 0.00 0.00 -ATOM 11256 H2 H2O C3752 20.291 27.989 15.085 0.00 0.00 -ATOM 11257 O1 H2O C3753 18.028 13.228 33.716 0.00 0.00 -ATOM 11258 H1 H2O C3753 18.684 12.998 34.435 0.00 0.00 -ATOM 11259 H2 H2O C3753 17.787 12.402 33.208 0.00 0.00 -ATOM 11260 O1 H2O C3754 42.569 36.596 39.452 0.00 0.00 -ATOM 11261 H1 H2O C3754 43.065 37.463 39.408 0.00 0.00 -ATOM 11262 H2 H2O C3754 41.740 36.713 40.000 0.00 0.00 -ATOM 11263 O1 H2O C3755 24.223 34.772 38.474 0.00 0.00 -ATOM 11264 H1 H2O C3755 23.732 34.901 39.336 0.00 0.00 -ATOM 11265 H2 H2O C3755 25.124 35.200 38.536 0.00 0.00 -ATOM 11266 O1 H2O C3756 55.672 30.250 56.986 0.00 0.00 -ATOM 11267 H1 H2O C3756 55.472 31.083 57.501 0.00 0.00 -ATOM 11268 H2 H2O C3756 56.162 30.487 56.147 0.00 0.00 -ATOM 11269 O1 H2O C3757 0.817 7.420 44.071 0.00 0.00 -ATOM 11270 H1 H2O C3757 0.815 7.830 44.983 0.00 0.00 -ATOM 11271 H2 H2O C3757 1.758 7.352 43.738 0.00 0.00 -ATOM 11272 O1 H2O C3758 25.491 27.807 3.117 0.00 0.00 -ATOM 11273 H1 H2O C3758 26.141 27.944 2.369 0.00 0.00 -ATOM 11274 H2 H2O C3758 24.979 28.652 3.272 0.00 0.00 -ATOM 11275 O1 H2O C3759 35.133 15.406 27.986 0.00 0.00 -ATOM 11276 H1 H2O C3759 35.547 14.613 27.538 0.00 0.00 -ATOM 11277 H2 H2O C3759 35.357 16.234 27.472 0.00 0.00 -ATOM 11278 O1 H2O C3760 25.127 49.312 31.148 0.00 0.00 -ATOM 11279 H1 H2O C3760 24.892 49.225 32.116 0.00 0.00 -ATOM 11280 H2 H2O C3760 24.360 49.723 30.654 0.00 0.00 -ATOM 11281 O1 H2O C3761 22.541 48.773 45.573 0.00 0.00 -ATOM 11282 H1 H2O C3761 22.572 49.632 46.083 0.00 0.00 -ATOM 11283 H2 H2O C3761 23.460 48.382 45.522 0.00 0.00 -ATOM 11284 O1 H2O C3762 47.276 52.051 1.544 0.00 0.00 -ATOM 11285 H1 H2O C3762 46.905 52.952 1.322 0.00 0.00 -ATOM 11286 H2 H2O C3762 47.706 51.658 0.730 0.00 0.00 -ATOM 11287 O1 H2O C3763 30.179 1.408 18.963 0.00 0.00 -ATOM 11288 H1 H2O C3763 29.482 0.808 19.358 0.00 0.00 -ATOM 11289 H2 H2O C3763 30.810 1.703 19.682 0.00 0.00 -ATOM 11290 O1 H2O C3764 8.703 11.698 40.939 0.00 0.00 -ATOM 11291 H1 H2O C3764 9.447 12.319 40.691 0.00 0.00 -ATOM 11292 H2 H2O C3764 8.924 11.238 41.798 0.00 0.00 -ATOM 11293 O1 H2O C3765 14.906 34.806 27.889 0.00 0.00 -ATOM 11294 H1 H2O C3765 14.719 33.823 27.882 0.00 0.00 -ATOM 11295 H2 H2O C3765 14.936 35.145 26.948 0.00 0.00 -ATOM 11296 O1 H2O C3766 43.024 46.464 48.013 0.00 0.00 -ATOM 11297 H1 H2O C3766 42.082 46.377 47.689 0.00 0.00 -ATOM 11298 H2 H2O C3766 43.493 47.175 47.489 0.00 0.00 -ATOM 11299 O1 H2O C3767 7.664 3.444 54.390 0.00 0.00 -ATOM 11300 H1 H2O C3767 8.089 4.348 54.431 0.00 0.00 -ATOM 11301 H2 H2O C3767 6.994 3.357 55.127 0.00 0.00 -ATOM 11302 O1 H2O C3768 39.658 50.403 46.335 0.00 0.00 -ATOM 11303 H1 H2O C3768 39.698 49.710 47.055 0.00 0.00 -ATOM 11304 H2 H2O C3768 38.756 50.385 45.904 0.00 0.00 -ATOM 11305 O1 H2O C3769 52.485 56.325 25.547 0.00 0.00 -ATOM 11306 H1 H2O C3769 52.040 55.696 26.184 0.00 0.00 -ATOM 11307 H2 H2O C3769 51.913 57.137 25.426 0.00 0.00 -ATOM 11308 O1 H2O C3770 30.182 24.090 29.061 0.00 0.00 -ATOM 11309 H1 H2O C3770 31.084 23.924 29.460 0.00 0.00 -ATOM 11310 H2 H2O C3770 29.844 24.982 29.362 0.00 0.00 -ATOM 11311 O1 H2O C3771 24.372 34.504 12.719 0.00 0.00 -ATOM 11312 H1 H2O C3771 23.774 35.083 13.273 0.00 0.00 -ATOM 11313 H2 H2O C3771 24.631 34.993 11.886 0.00 0.00 -ATOM 11314 O1 H2O C3772 57.108 8.671 54.990 0.00 0.00 -ATOM 11315 H1 H2O C3772 57.218 8.527 54.007 0.00 0.00 -ATOM 11316 H2 H2O C3772 57.215 9.643 55.199 0.00 0.00 -ATOM 11317 O1 H2O C3773 24.921 9.548 46.569 0.00 0.00 -ATOM 11318 H1 H2O C3773 25.490 9.512 47.392 0.00 0.00 -ATOM 11319 H2 H2O C3773 25.414 10.032 45.845 0.00 0.00 -ATOM 11320 O1 H2O C3774 51.482 25.307 5.791 0.00 0.00 -ATOM 11321 H1 H2O C3774 50.570 25.321 5.382 0.00 0.00 -ATOM 11322 H2 H2O C3774 52.065 25.975 5.329 0.00 0.00 -ATOM 11323 O1 H2O C3775 18.019 31.686 52.409 0.00 0.00 -ATOM 11324 H1 H2O C3775 17.767 32.253 51.625 0.00 0.00 -ATOM 11325 H2 H2O C3775 19.015 31.638 52.479 0.00 0.00 -ATOM 11326 O1 H2O C3776 53.739 7.309 31.607 0.00 0.00 -ATOM 11327 H1 H2O C3776 53.457 8.265 31.701 0.00 0.00 -ATOM 11328 H2 H2O C3776 53.168 6.735 32.195 0.00 0.00 -ATOM 11329 O1 H2O C3777 19.841 9.052 56.316 0.00 0.00 -ATOM 11330 H1 H2O C3777 19.625 10.012 56.137 0.00 0.00 -ATOM 11331 H2 H2O C3777 19.737 8.524 55.473 0.00 0.00 -ATOM 11332 O1 H2O C3778 26.128 -0.066 3.526 0.00 0.00 -ATOM 11333 H1 H2O C3778 27.002 -0.548 3.592 0.00 0.00 -ATOM 11334 H2 H2O C3778 26.222 0.850 3.914 0.00 0.00 -ATOM 11335 O1 H2O C3779 40.599 2.677 2.703 0.00 0.00 -ATOM 11336 H1 H2O C3779 41.063 3.522 2.971 0.00 0.00 -ATOM 11337 H2 H2O C3779 39.648 2.708 3.011 0.00 0.00 -ATOM 11338 O1 H2O C3780 40.351 50.632 13.887 0.00 0.00 -ATOM 11339 H1 H2O C3780 39.654 50.328 14.537 0.00 0.00 -ATOM 11340 H2 H2O C3780 40.540 51.603 14.031 0.00 0.00 -ATOM 11341 O1 H2O C3781 37.410 45.448 34.618 0.00 0.00 -ATOM 11342 H1 H2O C3781 37.573 45.435 33.632 0.00 0.00 -ATOM 11343 H2 H2O C3781 37.753 46.306 35.001 0.00 0.00 -ATOM 11344 O1 H2O C3782 18.457 13.322 52.975 0.00 0.00 -ATOM 11345 H1 H2O C3782 18.736 13.610 52.059 0.00 0.00 -ATOM 11346 H2 H2O C3782 18.836 13.953 53.652 0.00 0.00 -ATOM 11347 O1 H2O C3783 59.490 25.859 3.931 0.00 0.00 -ATOM 11348 H1 H2O C3783 58.917 25.486 4.661 0.00 0.00 -ATOM 11349 H2 H2O C3783 60.423 25.512 4.029 0.00 0.00 -ATOM 11350 O1 H2O C3784 57.621 47.235 37.910 0.00 0.00 -ATOM 11351 H1 H2O C3784 58.186 47.751 38.554 0.00 0.00 -ATOM 11352 H2 H2O C3784 57.826 46.260 37.994 0.00 0.00 -ATOM 11353 O1 H2O C3785 19.825 43.529 18.555 0.00 0.00 -ATOM 11354 H1 H2O C3785 20.351 44.361 18.378 0.00 0.00 -ATOM 11355 H2 H2O C3785 20.123 42.807 17.930 0.00 0.00 -ATOM 11356 O1 H2O C3786 16.585 50.260 56.482 0.00 0.00 -ATOM 11357 H1 H2O C3786 15.748 49.790 56.199 0.00 0.00 -ATOM 11358 H2 H2O C3786 16.604 50.333 57.479 0.00 0.00 -ATOM 11359 O1 H2O C3787 53.662 5.345 59.385 0.00 0.00 -ATOM 11360 H1 H2O C3787 54.651 5.488 59.419 0.00 0.00 -ATOM 11361 H2 H2O C3787 53.345 5.430 58.440 0.00 0.00 -ATOM 11362 O1 H2O C3788 12.254 16.920 15.593 0.00 0.00 -ATOM 11363 H1 H2O C3788 12.224 17.910 15.456 0.00 0.00 -ATOM 11364 H2 H2O C3788 12.374 16.465 14.711 0.00 0.00 -ATOM 11365 O1 H2O C3789 14.748 57.577 52.269 0.00 0.00 -ATOM 11366 H1 H2O C3789 14.838 56.597 52.446 0.00 0.00 -ATOM 11367 H2 H2O C3789 14.113 57.978 52.929 0.00 0.00 -ATOM 11368 O1 H2O C3790 27.977 41.752 2.389 0.00 0.00 -ATOM 11369 H1 H2O C3790 27.493 42.354 1.754 0.00 0.00 -ATOM 11370 H2 H2O C3790 27.861 40.802 2.102 0.00 0.00 -ATOM 11371 O1 H2O C3791 21.670 56.021 59.377 0.00 0.00 -ATOM 11372 H1 H2O C3791 21.093 55.487 59.994 0.00 0.00 -ATOM 11373 H2 H2O C3791 21.190 56.857 59.111 0.00 0.00 -ATOM 11374 O1 H2O C3792 23.732 56.705 25.146 0.00 0.00 -ATOM 11375 H1 H2O C3792 23.022 57.409 25.120 0.00 0.00 -ATOM 11376 H2 H2O C3792 24.490 57.017 25.718 0.00 0.00 -ATOM 11377 O1 H2O C3793 22.740 14.347 25.014 0.00 0.00 -ATOM 11378 H1 H2O C3793 23.460 14.106 24.362 0.00 0.00 -ATOM 11379 H2 H2O C3793 22.853 15.300 25.298 0.00 0.00 -ATOM 11380 O1 H2O C3794 39.769 58.358 46.595 0.00 0.00 -ATOM 11381 H1 H2O C3794 39.503 57.456 46.253 0.00 0.00 -ATOM 11382 H2 H2O C3794 38.949 58.885 46.818 0.00 0.00 -ATOM 11383 O1 H2O C3795 21.597 16.030 21.505 0.00 0.00 -ATOM 11384 H1 H2O C3795 22.553 16.080 21.794 0.00 0.00 -ATOM 11385 H2 H2O C3795 21.433 15.158 21.043 0.00 0.00 -ATOM 11386 O1 H2O C3796 56.923 3.142 22.473 0.00 0.00 -ATOM 11387 H1 H2O C3796 57.343 2.534 21.800 0.00 0.00 -ATOM 11388 H2 H2O C3796 56.826 4.057 22.081 0.00 0.00 -ATOM 11389 O1 H2O C3797 45.264 17.408 3.160 0.00 0.00 -ATOM 11390 H1 H2O C3797 45.887 17.866 3.795 0.00 0.00 -ATOM 11391 H2 H2O C3797 44.385 17.251 3.610 0.00 0.00 -ATOM 11392 O1 H2O C3798 13.917 48.087 54.146 0.00 0.00 -ATOM 11393 H1 H2O C3798 14.795 48.257 53.699 0.00 0.00 -ATOM 11394 H2 H2O C3798 13.175 48.250 53.496 0.00 0.00 -ATOM 11395 O1 H2O C3799 38.086 11.850 30.756 0.00 0.00 -ATOM 11396 H1 H2O C3799 37.826 11.396 29.904 0.00 0.00 -ATOM 11397 H2 H2O C3799 39.049 12.116 30.711 0.00 0.00 -ATOM 11398 O1 H2O C3800 5.378 13.135 24.655 0.00 0.00 -ATOM 11399 H1 H2O C3800 4.935 13.317 23.776 0.00 0.00 -ATOM 11400 H2 H2O C3800 6.249 13.626 24.696 0.00 0.00 -ATOM 11401 O1 H2O C3801 15.046 15.628 57.209 0.00 0.00 -ATOM 11402 H1 H2O C3801 14.537 15.753 58.060 0.00 0.00 -ATOM 11403 H2 H2O C3801 14.407 15.593 56.440 0.00 0.00 -ATOM 11404 O1 H2O C3802 53.832 54.363 26.716 0.00 0.00 -ATOM 11405 H1 H2O C3802 52.846 54.400 26.549 0.00 0.00 -ATOM 11406 H2 H2O C3802 54.001 53.961 27.617 0.00 0.00 -ATOM 11407 O1 H2O C3803 47.770 27.209 0.801 0.00 0.00 -ATOM 11408 H1 H2O C3803 48.725 27.109 0.519 0.00 0.00 -ATOM 11409 H2 H2O C3803 47.589 26.612 1.583 0.00 0.00 -ATOM 11410 O1 H2O C3804 49.309 3.153 50.519 0.00 0.00 -ATOM 11411 H1 H2O C3804 48.848 2.281 50.686 0.00 0.00 -ATOM 11412 H2 H2O C3804 48.674 3.905 50.696 0.00 0.00 -ATOM 11413 O1 H2O C3805 38.411 25.617 28.639 0.00 0.00 -ATOM 11414 H1 H2O C3805 37.800 26.384 28.836 0.00 0.00 -ATOM 11415 H2 H2O C3805 38.649 25.623 27.667 0.00 0.00 -ATOM 11416 O1 H2O C3806 27.860 40.113 14.552 0.00 0.00 -ATOM 11417 H1 H2O C3806 27.120 39.458 14.397 0.00 0.00 -ATOM 11418 H2 H2O C3806 27.637 40.980 14.107 0.00 0.00 -ATOM 11419 O1 H2O C3807 7.899 15.838 28.634 0.00 0.00 -ATOM 11420 H1 H2O C3807 8.474 15.084 28.314 0.00 0.00 -ATOM 11421 H2 H2O C3807 7.263 16.102 27.908 0.00 0.00 -ATOM 11422 O1 H2O C3808 55.243 59.843 27.017 0.00 0.00 -ATOM 11423 H1 H2O C3808 55.631 59.504 26.160 0.00 0.00 -ATOM 11424 H2 H2O C3808 54.894 59.073 27.552 0.00 0.00 -ATOM 11425 O1 H2O C3809 42.329 41.793 33.587 0.00 0.00 -ATOM 11426 H1 H2O C3809 41.872 40.999 33.989 0.00 0.00 -ATOM 11427 H2 H2O C3809 42.515 41.614 32.620 0.00 0.00 -ATOM 11428 O1 H2O C3810 10.883 57.980 19.415 0.00 0.00 -ATOM 11429 H1 H2O C3810 11.355 57.983 20.297 0.00 0.00 -ATOM 11430 H2 H2O C3810 10.213 57.238 19.398 0.00 0.00 -ATOM 11431 O1 H2O C3811 24.186 47.353 9.405 0.00 0.00 -ATOM 11432 H1 H2O C3811 24.411 47.493 10.369 0.00 0.00 -ATOM 11433 H2 H2O C3811 23.896 48.221 9.001 0.00 0.00 -ATOM 11434 O1 H2O C3812 13.201 4.806 21.869 0.00 0.00 -ATOM 11435 H1 H2O C3812 12.544 4.853 22.621 0.00 0.00 -ATOM 11436 H2 H2O C3812 13.877 5.537 21.972 0.00 0.00 -ATOM 11437 O1 H2O C3813 34.083 52.791 39.257 0.00 0.00 -ATOM 11438 H1 H2O C3813 34.084 52.778 40.257 0.00 0.00 -ATOM 11439 H2 H2O C3813 34.093 53.739 38.937 0.00 0.00 -ATOM 11440 O1 H2O C3814 48.602 19.698 46.237 0.00 0.00 -ATOM 11441 H1 H2O C3814 47.682 19.834 46.606 0.00 0.00 -ATOM 11442 H2 H2O C3814 49.103 19.057 46.818 0.00 0.00 -ATOM 11443 O1 H2O C3815 4.338 57.507 19.178 0.00 0.00 -ATOM 11444 H1 H2O C3815 3.693 58.108 18.707 0.00 0.00 -ATOM 11445 H2 H2O C3815 3.892 56.636 19.385 0.00 0.00 -ATOM 11446 O1 H2O C3816 40.111 13.841 17.131 0.00 0.00 -ATOM 11447 H1 H2O C3816 40.490 13.604 16.236 0.00 0.00 -ATOM 11448 H2 H2O C3816 39.883 14.815 17.148 0.00 0.00 -ATOM 11449 O1 H2O C3817 37.924 48.739 52.192 0.00 0.00 -ATOM 11450 H1 H2O C3817 38.057 48.893 53.171 0.00 0.00 -ATOM 11451 H2 H2O C3817 37.075 48.232 52.046 0.00 0.00 -ATOM 11452 O1 H2O C3818 38.921 16.694 11.587 0.00 0.00 -ATOM 11453 H1 H2O C3818 38.329 16.891 10.804 0.00 0.00 -ATOM 11454 H2 H2O C3818 39.488 15.896 11.382 0.00 0.00 -ATOM 11455 O1 H2O C3819 43.243 50.325 16.108 0.00 0.00 -ATOM 11456 H1 H2O C3819 43.402 49.511 16.666 0.00 0.00 -ATOM 11457 H2 H2O C3819 42.299 50.633 16.230 0.00 0.00 -ATOM 11458 O1 H2O C3820 56.524 45.685 3.968 0.00 0.00 -ATOM 11459 H1 H2O C3820 56.626 46.653 4.200 0.00 0.00 -ATOM 11460 H2 H2O C3820 55.610 45.374 4.229 0.00 0.00 -ATOM 11461 O1 H2O C3821 4.756 34.101 49.284 0.00 0.00 -ATOM 11462 H1 H2O C3821 5.525 34.656 48.968 0.00 0.00 -ATOM 11463 H2 H2O C3821 4.614 33.338 48.654 0.00 0.00 -ATOM 11464 O1 H2O C3822 37.668 19.876 27.169 0.00 0.00 -ATOM 11465 H1 H2O C3822 38.329 19.166 27.413 0.00 0.00 -ATOM 11466 H2 H2O C3822 38.100 20.775 27.253 0.00 0.00 -ATOM 11467 O1 H2O C3823 16.042 28.823 49.455 0.00 0.00 -ATOM 11468 H1 H2O C3823 16.099 27.828 49.370 0.00 0.00 -ATOM 11469 H2 H2O C3823 15.194 29.145 49.035 0.00 0.00 -ATOM 11470 O1 H2O C3824 49.316 38.409 9.924 0.00 0.00 -ATOM 11471 H1 H2O C3824 49.749 38.450 9.024 0.00 0.00 -ATOM 11472 H2 H2O C3824 49.837 38.966 10.571 0.00 0.00 -ATOM 11473 O1 H2O C3825 19.260 18.339 55.607 0.00 0.00 -ATOM 11474 H1 H2O C3825 18.775 17.572 56.026 0.00 0.00 -ATOM 11475 H2 H2O C3825 19.035 19.182 56.096 0.00 0.00 -ATOM 11476 O1 H2O C3826 42.968 15.382 46.785 0.00 0.00 -ATOM 11477 H1 H2O C3826 43.327 15.922 46.023 0.00 0.00 -ATOM 11478 H2 H2O C3826 42.096 14.971 46.520 0.00 0.00 -ATOM 11479 O1 H2O C3827 54.639 33.146 53.399 0.00 0.00 -ATOM 11480 H1 H2O C3827 54.790 33.907 54.030 0.00 0.00 -ATOM 11481 H2 H2O C3827 55.429 33.054 52.793 0.00 0.00 -ATOM 11482 O1 H2O C3828 9.872 17.716 46.058 0.00 0.00 -ATOM 11483 H1 H2O C3828 10.586 17.951 46.719 0.00 0.00 -ATOM 11484 H2 H2O C3828 9.247 17.051 46.468 0.00 0.00 -ATOM 11485 O1 H2O C3829 21.547 50.497 9.629 0.00 0.00 -ATOM 11486 H1 H2O C3829 21.295 49.801 8.957 0.00 0.00 -ATOM 11487 H2 H2O C3829 21.879 51.313 9.156 0.00 0.00 -ATOM 11488 O1 H2O C3830 21.920 12.677 20.519 0.00 0.00 -ATOM 11489 H1 H2O C3830 21.304 11.961 20.850 0.00 0.00 -ATOM 11490 H2 H2O C3830 21.419 13.541 20.452 0.00 0.00 -ATOM 11491 O1 H2O C3831 14.917 5.241 16.253 0.00 0.00 -ATOM 11492 H1 H2O C3831 14.015 5.113 16.665 0.00 0.00 -ATOM 11493 H2 H2O C3831 15.157 6.211 16.270 0.00 0.00 -ATOM 11494 O1 H2O C3832 53.471 40.229 14.290 0.00 0.00 -ATOM 11495 H1 H2O C3832 54.047 39.816 13.584 0.00 0.00 -ATOM 11496 H2 H2O C3832 54.050 40.628 15.001 0.00 0.00 -ATOM 11497 O1 H2O C3833 37.303 42.226 45.923 0.00 0.00 -ATOM 11498 H1 H2O C3833 36.360 41.911 45.813 0.00 0.00 -ATOM 11499 H2 H2O C3833 37.761 41.673 46.619 0.00 0.00 -ATOM 11500 O1 H2O C3834 58.520 52.873 0.628 0.00 0.00 -ATOM 11501 H1 H2O C3834 57.765 53.000 1.272 0.00 0.00 -ATOM 11502 H2 H2O C3834 58.700 53.735 0.153 0.00 0.00 -ATOM 11503 O1 H2O C3835 40.117 17.883 58.828 0.00 0.00 -ATOM 11504 H1 H2O C3835 39.742 17.281 58.123 0.00 0.00 -ATOM 11505 H2 H2O C3835 40.968 17.494 59.181 0.00 0.00 -ATOM 11506 O1 H2O C3836 33.946 0.864 45.224 0.00 0.00 -ATOM 11507 H1 H2O C3836 34.551 1.469 44.706 0.00 0.00 -ATOM 11508 H2 H2O C3836 33.277 1.412 45.727 0.00 0.00 -ATOM 11509 O1 H2O C3837 7.925 56.729 40.295 0.00 0.00 -ATOM 11510 H1 H2O C3837 7.705 57.602 40.729 0.00 0.00 -ATOM 11511 H2 H2O C3837 7.617 55.979 40.880 0.00 0.00 -ATOM 11512 O1 H2O C3838 29.420 33.593 20.609 0.00 0.00 -ATOM 11513 H1 H2O C3838 28.618 34.148 20.832 0.00 0.00 -ATOM 11514 H2 H2O C3838 29.308 33.197 19.697 0.00 0.00 -ATOM 11515 O1 H2O C3839 6.421 44.951 15.071 0.00 0.00 -ATOM 11516 H1 H2O C3839 5.838 44.654 14.315 0.00 0.00 -ATOM 11517 H2 H2O C3839 6.299 44.335 15.849 0.00 0.00 -ATOM 11518 O1 H2O C3840 14.535 57.017 13.895 0.00 0.00 -ATOM 11519 H1 H2O C3840 15.048 56.910 13.043 0.00 0.00 -ATOM 11520 H2 H2O C3840 14.869 56.360 14.570 0.00 0.00 -ATOM 11521 O1 H2O C3841 10.331 20.238 12.991 0.00 0.00 -ATOM 11522 H1 H2O C3841 10.966 19.558 13.359 0.00 0.00 -ATOM 11523 H2 H2O C3841 9.457 19.799 12.782 0.00 0.00 -ATOM 11524 O1 H2O C3842 58.856 2.314 17.744 0.00 0.00 -ATOM 11525 H1 H2O C3842 59.154 1.490 17.263 0.00 0.00 -ATOM 11526 H2 H2O C3842 58.408 2.933 17.098 0.00 0.00 -ATOM 11527 O1 H2O C3843 19.117 26.990 13.425 0.00 0.00 -ATOM 11528 H1 H2O C3843 19.507 26.110 13.153 0.00 0.00 -ATOM 11529 H2 H2O C3843 19.611 27.343 14.219 0.00 0.00 -ATOM 11530 O1 H2O C3844 4.655 54.829 57.276 0.00 0.00 -ATOM 11531 H1 H2O C3844 3.715 54.901 57.609 0.00 0.00 -ATOM 11532 H2 H2O C3844 5.288 54.917 58.044 0.00 0.00 -ATOM 11533 O1 H2O C3845 45.955 13.592 39.365 0.00 0.00 -ATOM 11534 H1 H2O C3845 46.238 12.647 39.530 0.00 0.00 -ATOM 11535 H2 H2O C3845 45.694 14.018 40.231 0.00 0.00 -ATOM 11536 O1 H2O C3846 51.629 37.125 35.564 0.00 0.00 -ATOM 11537 H1 H2O C3846 50.731 37.305 35.162 0.00 0.00 -ATOM 11538 H2 H2O C3846 51.552 36.386 36.234 0.00 0.00 -ATOM 11539 O1 H2O C3847 27.069 44.444 25.475 0.00 0.00 -ATOM 11540 H1 H2O C3847 26.405 43.699 25.413 0.00 0.00 -ATOM 11541 H2 H2O C3847 27.712 44.256 26.218 0.00 0.00 -ATOM 11542 O1 H2O C3848 35.042 20.551 5.077 0.00 0.00 -ATOM 11543 H1 H2O C3848 36.023 20.351 5.062 0.00 0.00 -ATOM 11544 H2 H2O C3848 34.647 20.342 4.182 0.00 0.00 -ATOM 11545 O1 H2O C3849 15.806 39.666 22.352 0.00 0.00 -ATOM 11546 H1 H2O C3849 15.856 39.533 21.362 0.00 0.00 -ATOM 11547 H2 H2O C3849 16.727 39.805 22.716 0.00 0.00 -ATOM 11548 O1 H2O C3850 56.232 52.063 1.642 0.00 0.00 -ATOM 11549 H1 H2O C3850 55.404 52.586 1.843 0.00 0.00 -ATOM 11550 H2 H2O C3850 56.895 52.653 1.181 0.00 0.00 -ATOM 11551 O1 H2O C3851 27.733 22.416 52.878 0.00 0.00 -ATOM 11552 H1 H2O C3851 27.199 21.667 52.486 0.00 0.00 -ATOM 11553 H2 H2O C3851 27.657 22.393 53.875 0.00 0.00 -ATOM 11554 O1 H2O C3852 1.285 31.331 3.447 0.00 0.00 -ATOM 11555 H1 H2O C3852 0.306 31.163 3.571 0.00 0.00 -ATOM 11556 H2 H2O C3852 1.544 31.110 2.507 0.00 0.00 -ATOM 11557 O1 H2O C3853 27.162 45.192 8.009 0.00 0.00 -ATOM 11558 H1 H2O C3853 28.040 44.936 7.604 0.00 0.00 -ATOM 11559 H2 H2O C3853 26.712 45.870 7.429 0.00 0.00 -ATOM 11560 O1 H2O C3854 4.205 31.616 54.156 0.00 0.00 -ATOM 11561 H1 H2O C3854 3.832 32.530 54.316 0.00 0.00 -ATOM 11562 H2 H2O C3854 3.803 31.232 53.325 0.00 0.00 -ATOM 11563 O1 H2O C3855 27.782 22.890 30.374 0.00 0.00 -ATOM 11564 H1 H2O C3855 28.390 23.628 30.083 0.00 0.00 -ATOM 11565 H2 H2O C3855 28.223 22.008 30.204 0.00 0.00 -ATOM 11566 O1 H2O C3856 56.201 31.955 55.106 0.00 0.00 -ATOM 11567 H1 H2O C3856 56.800 31.156 55.133 0.00 0.00 -ATOM 11568 H2 H2O C3856 55.654 31.933 54.268 0.00 0.00 -ATOM 11569 O1 H2O C3857 15.306 2.637 18.026 0.00 0.00 -ATOM 11570 H1 H2O C3857 15.586 3.234 18.778 0.00 0.00 -ATOM 11571 H2 H2O C3857 14.471 2.995 17.609 0.00 0.00 -ATOM 11572 O1 H2O C3858 14.907 3.352 23.331 0.00 0.00 -ATOM 11573 H1 H2O C3858 15.632 3.131 22.679 0.00 0.00 -ATOM 11574 H2 H2O C3858 14.598 4.291 23.182 0.00 0.00 -ATOM 11575 O1 H2O C3859 36.310 42.942 38.810 0.00 0.00 -ATOM 11576 H1 H2O C3859 37.108 42.838 38.215 0.00 0.00 -ATOM 11577 H2 H2O C3859 35.672 42.190 38.645 0.00 0.00 -ATOM 11578 O1 H2O C3860 55.211 19.414 8.473 0.00 0.00 -ATOM 11579 H1 H2O C3860 55.413 18.695 9.138 0.00 0.00 -ATOM 11580 H2 H2O C3860 55.713 20.244 8.717 0.00 0.00 -ATOM 11581 O1 H2O C3861 56.621 28.253 4.572 0.00 0.00 -ATOM 11582 H1 H2O C3861 55.906 28.951 4.605 0.00 0.00 -ATOM 11583 H2 H2O C3861 57.512 28.681 4.727 0.00 0.00 -ATOM 11584 O1 H2O C3862 8.493 13.492 46.372 0.00 0.00 -ATOM 11585 H1 H2O C3862 9.430 13.457 46.718 0.00 0.00 -ATOM 11586 H2 H2O C3862 8.073 12.588 46.456 0.00 0.00 -ATOM 11587 O1 H2O C3863 27.571 2.773 24.951 0.00 0.00 -ATOM 11588 H1 H2O C3863 27.978 3.656 24.718 0.00 0.00 -ATOM 11589 H2 H2O C3863 27.403 2.252 24.113 0.00 0.00 -ATOM 11590 O1 H2O C3864 51.377 52.117 41.729 0.00 0.00 -ATOM 11591 H1 H2O C3864 52.238 52.625 41.703 0.00 0.00 -ATOM 11592 H2 H2O C3864 50.895 52.321 42.582 0.00 0.00 -ATOM 11593 O1 H2O C3865 11.710 45.466 47.289 0.00 0.00 -ATOM 11594 H1 H2O C3865 11.061 44.715 47.416 0.00 0.00 -ATOM 11595 H2 H2O C3865 11.216 46.288 47.005 0.00 0.00 -ATOM 11596 O1 H2O C3866 37.719 26.610 45.561 0.00 0.00 -ATOM 11597 H1 H2O C3866 37.421 27.334 44.939 0.00 0.00 -ATOM 11598 H2 H2O C3866 37.956 27.010 46.447 0.00 0.00 -ATOM 11599 O1 H2O C3867 11.878 55.802 45.933 0.00 0.00 -ATOM 11600 H1 H2O C3867 12.029 56.094 46.878 0.00 0.00 -ATOM 11601 H2 H2O C3867 11.042 56.224 45.583 0.00 0.00 -ATOM 11602 O1 H2O C3868 2.785 51.311 32.959 0.00 0.00 -ATOM 11603 H1 H2O C3868 3.032 51.420 33.923 0.00 0.00 -ATOM 11604 H2 H2O C3868 3.049 50.397 32.650 0.00 0.00 -ATOM 11605 O1 H2O C3869 32.227 8.479 31.009 0.00 0.00 -ATOM 11606 H1 H2O C3869 32.376 9.160 30.293 0.00 0.00 -ATOM 11607 H2 H2O C3869 32.217 8.931 31.901 0.00 0.00 -ATOM 11608 O1 H2O C3870 21.635 12.924 14.115 0.00 0.00 -ATOM 11609 H1 H2O C3870 20.943 13.521 13.711 0.00 0.00 -ATOM 11610 H2 H2O C3870 22.495 13.426 14.210 0.00 0.00 -ATOM 11611 O1 H2O C3871 21.951 49.479 32.942 0.00 0.00 -ATOM 11612 H1 H2O C3871 21.481 50.362 32.972 0.00 0.00 -ATOM 11613 H2 H2O C3871 21.282 48.742 33.039 0.00 0.00 -ATOM 11614 O1 H2O C3872 37.787 50.052 8.756 0.00 0.00 -ATOM 11615 H1 H2O C3872 37.242 49.868 9.575 0.00 0.00 -ATOM 11616 H2 H2O C3872 38.290 50.908 8.876 0.00 0.00 -ATOM 11617 O1 H2O C3873 19.091 9.111 48.447 0.00 0.00 -ATOM 11618 H1 H2O C3873 19.383 10.021 48.742 0.00 0.00 -ATOM 11619 H2 H2O C3873 18.911 8.543 49.251 0.00 0.00 -ATOM 11620 O1 H2O C3874 52.664 58.762 41.027 0.00 0.00 -ATOM 11621 H1 H2O C3874 53.535 59.209 40.822 0.00 0.00 -ATOM 11622 H2 H2O C3874 52.471 58.842 42.005 0.00 0.00 -ATOM 11623 O1 H2O C3875 19.594 12.407 20.774 0.00 0.00 -ATOM 11624 H1 H2O C3875 19.047 12.841 21.490 0.00 0.00 -ATOM 11625 H2 H2O C3875 20.381 12.985 20.558 0.00 0.00 -ATOM 11626 O1 H2O C3876 29.620 20.715 11.865 0.00 0.00 -ATOM 11627 H1 H2O C3876 30.451 20.683 12.420 0.00 0.00 -ATOM 11628 H2 H2O C3876 28.842 20.956 12.444 0.00 0.00 -ATOM 11629 O1 H2O C3877 35.323 57.576 56.292 0.00 0.00 -ATOM 11630 H1 H2O C3877 34.382 57.603 56.629 0.00 0.00 -ATOM 11631 H2 H2O C3877 35.364 58.000 55.387 0.00 0.00 -ATOM 11632 O1 H2O C3878 42.294 55.447 36.177 0.00 0.00 -ATOM 11633 H1 H2O C3878 43.215 55.140 36.418 0.00 0.00 -ATOM 11634 H2 H2O C3878 42.307 56.433 36.008 0.00 0.00 -ATOM 11635 O1 H2O C3879 26.014 31.734 51.268 0.00 0.00 -ATOM 11636 H1 H2O C3879 25.722 31.143 50.516 0.00 0.00 -ATOM 11637 H2 H2O C3879 25.495 31.505 52.092 0.00 0.00 -ATOM 11638 O1 H2O C3880 38.307 36.826 25.399 0.00 0.00 -ATOM 11639 H1 H2O C3880 38.850 37.652 25.549 0.00 0.00 -ATOM 11640 H2 H2O C3880 37.339 37.033 25.541 0.00 0.00 -ATOM 11641 O1 H2O C3881 48.839 48.563 47.703 0.00 0.00 -ATOM 11642 H1 H2O C3881 49.805 48.765 47.868 0.00 0.00 -ATOM 11643 H2 H2O C3881 48.674 48.513 46.718 0.00 0.00 -ATOM 11644 O1 H2O C3882 19.903 43.770 40.095 0.00 0.00 -ATOM 11645 H1 H2O C3882 19.234 43.150 39.685 0.00 0.00 -ATOM 11646 H2 H2O C3882 19.616 44.716 39.945 0.00 0.00 -ATOM 11647 O1 H2O C3883 51.004 45.984 2.378 0.00 0.00 -ATOM 11648 H1 H2O C3883 51.689 46.697 2.528 0.00 0.00 -ATOM 11649 H2 H2O C3883 50.289 46.331 1.770 0.00 0.00 -ATOM 11650 O1 H2O C3884 56.993 48.052 10.731 0.00 0.00 -ATOM 11651 H1 H2O C3884 57.933 47.827 10.985 0.00 0.00 -ATOM 11652 H2 H2O C3884 56.991 48.552 9.865 0.00 0.00 -ATOM 11653 O1 H2O C3885 19.556 44.075 25.473 0.00 0.00 -ATOM 11654 H1 H2O C3885 19.123 43.733 24.639 0.00 0.00 -ATOM 11655 H2 H2O C3885 20.532 43.858 25.454 0.00 0.00 -ATOM 11656 O1 H2O C3886 51.486 49.180 14.063 0.00 0.00 -ATOM 11657 H1 H2O C3886 51.994 49.682 13.363 0.00 0.00 -ATOM 11658 H2 H2O C3886 51.124 48.335 13.670 0.00 0.00 -ATOM 11659 O1 H2O C3887 21.102 56.189 58.131 0.00 0.00 -ATOM 11660 H1 H2O C3887 20.196 56.486 58.433 0.00 0.00 -ATOM 11661 H2 H2O C3887 21.045 55.844 57.194 0.00 0.00 -ATOM 11662 O1 H2O C3888 14.471 44.433 6.768 0.00 0.00 -ATOM 11663 H1 H2O C3888 13.661 44.196 7.305 0.00 0.00 -ATOM 11664 H2 H2O C3888 15.233 43.844 7.036 0.00 0.00 -ATOM 11665 O1 H2O C3889 0.266 50.931 22.692 0.00 0.00 -ATOM 11666 H1 H2O C3889 0.539 51.284 21.797 0.00 0.00 -ATOM 11667 H2 H2O C3889 0.629 50.007 22.810 0.00 0.00 -ATOM 11668 O1 H2O C3890 2.428 0.700 48.433 0.00 0.00 -ATOM 11669 H1 H2O C3890 1.814 0.678 49.222 0.00 0.00 -ATOM 11670 H2 H2O C3890 3.331 1.020 48.721 0.00 0.00 -ATOM 11671 O1 H2O C3891 15.485 0.443 23.241 0.00 0.00 -ATOM 11672 H1 H2O C3891 14.939 0.423 24.079 0.00 0.00 -ATOM 11673 H2 H2O C3891 15.018 0.999 22.553 0.00 0.00 -ATOM 11674 O1 H2O C3892 10.577 3.316 37.790 0.00 0.00 -ATOM 11675 H1 H2O C3892 10.186 3.192 38.702 0.00 0.00 -ATOM 11676 H2 H2O C3892 9.861 3.611 37.157 0.00 0.00 -ATOM 11677 O1 H2O C3893 12.479 30.297 3.989 0.00 0.00 -ATOM 11678 H1 H2O C3893 12.105 31.148 4.358 0.00 0.00 -ATOM 11679 H2 H2O C3893 12.858 30.467 3.079 0.00 0.00 -ATOM 11680 O1 H2O C3894 10.000 27.820 19.064 0.00 0.00 -ATOM 11681 H1 H2O C3894 9.874 28.343 18.221 0.00 0.00 -ATOM 11682 H2 H2O C3894 10.476 28.385 19.738 0.00 0.00 -ATOM 11683 O1 H2O C3895 51.581 48.098 32.442 0.00 0.00 -ATOM 11684 H1 H2O C3895 50.981 47.298 32.470 0.00 0.00 -ATOM 11685 H2 H2O C3895 52.203 48.020 31.663 0.00 0.00 -ATOM 11686 O1 H2O C3896 32.881 7.382 46.066 0.00 0.00 -ATOM 11687 H1 H2O C3896 33.635 6.752 46.256 0.00 0.00 -ATOM 11688 H2 H2O C3896 32.531 7.751 46.927 0.00 0.00 -ATOM 11689 O1 H2O C3897 40.607 55.612 30.680 0.00 0.00 -ATOM 11690 H1 H2O C3897 40.042 56.414 30.875 0.00 0.00 -ATOM 11691 H2 H2O C3897 40.721 55.516 29.691 0.00 0.00 -ATOM 11692 O1 H2O C3898 9.075 19.650 13.892 0.00 0.00 -ATOM 11693 H1 H2O C3898 9.336 19.059 14.655 0.00 0.00 -ATOM 11694 H2 H2O C3898 8.098 19.545 13.708 0.00 0.00 -ATOM 11695 O1 H2O C3899 25.142 24.964 52.805 0.00 0.00 -ATOM 11696 H1 H2O C3899 25.759 25.731 52.985 0.00 0.00 -ATOM 11697 H2 H2O C3899 25.192 24.312 53.562 0.00 0.00 -ATOM 11698 O1 H2O C3900 30.391 20.385 30.511 0.00 0.00 -ATOM 11699 H1 H2O C3900 31.270 20.094 30.134 0.00 0.00 -ATOM 11700 H2 H2O C3900 30.492 21.286 30.934 0.00 0.00 -ATOM 11701 O1 H2O C3901 15.554 44.942 57.296 0.00 0.00 -ATOM 11702 H1 H2O C3901 14.878 44.229 57.482 0.00 0.00 -ATOM 11703 H2 H2O C3901 15.683 45.030 56.308 0.00 0.00 -ATOM 11704 O1 H2O C3902 41.943 23.061 41.243 0.00 0.00 -ATOM 11705 H1 H2O C3902 41.609 23.961 40.962 0.00 0.00 -ATOM 11706 H2 H2O C3902 42.290 23.113 42.180 0.00 0.00 -ATOM 11707 O1 H2O C3903 36.081 28.901 52.038 0.00 0.00 -ATOM 11708 H1 H2O C3903 35.168 28.498 51.983 0.00 0.00 -ATOM 11709 H2 H2O C3903 36.578 28.718 51.189 0.00 0.00 -ATOM 11710 O1 H2O C3904 54.826 41.450 55.701 0.00 0.00 -ATOM 11711 H1 H2O C3904 55.590 41.111 56.250 0.00 0.00 -ATOM 11712 H2 H2O C3904 53.975 41.348 56.215 0.00 0.00 -ATOM 11713 O1 H2O C3905 26.316 37.063 51.598 0.00 0.00 -ATOM 11714 H1 H2O C3905 26.732 37.947 51.811 0.00 0.00 -ATOM 11715 H2 H2O C3905 26.567 36.399 52.303 0.00 0.00 -ATOM 11716 O1 H2O C3906 34.170 15.092 12.351 0.00 0.00 -ATOM 11717 H1 H2O C3906 34.218 14.812 13.311 0.00 0.00 -ATOM 11718 H2 H2O C3906 33.664 15.952 12.281 0.00 0.00 -ATOM 11719 O1 H2O C3907 42.402 25.637 46.230 0.00 0.00 -ATOM 11720 H1 H2O C3907 43.129 26.225 46.584 0.00 0.00 -ATOM 11721 H2 H2O C3907 41.527 25.914 46.627 0.00 0.00 -ATOM 11722 O1 H2O C3908 21.225 24.297 30.407 0.00 0.00 -ATOM 11723 H1 H2O C3908 21.425 24.670 29.502 0.00 0.00 -ATOM 11724 H2 H2O C3908 22.041 24.360 30.982 0.00 0.00 -ATOM 11725 O1 H2O C3909 17.434 3.487 20.267 0.00 0.00 -ATOM 11726 H1 H2O C3909 17.586 3.095 19.360 0.00 0.00 -ATOM 11727 H2 H2O C3909 17.378 4.483 20.195 0.00 0.00 -ATOM 11728 O1 H2O C3910 23.981 30.437 57.685 0.00 0.00 -ATOM 11729 H1 H2O C3910 24.864 30.323 58.141 0.00 0.00 -ATOM 11730 H2 H2O C3910 23.401 31.044 58.228 0.00 0.00 -ATOM 11731 O1 H2O C3911 9.623 58.406 12.648 0.00 0.00 -ATOM 11732 H1 H2O C3911 10.113 57.883 13.345 0.00 0.00 -ATOM 11733 H2 H2O C3911 9.418 59.320 12.999 0.00 0.00 -ATOM 11734 O1 H2O C3912 57.289 36.568 12.908 0.00 0.00 -ATOM 11735 H1 H2O C3912 56.719 37.181 13.455 0.00 0.00 -ATOM 11736 H2 H2O C3912 57.264 35.650 13.304 0.00 0.00 -ATOM 11737 O1 H2O C3913 26.151 21.061 8.299 0.00 0.00 -ATOM 11738 H1 H2O C3913 26.153 20.430 7.522 0.00 0.00 -ATOM 11739 H2 H2O C3913 25.219 21.149 8.652 0.00 0.00 -ATOM 11740 O1 H2O C3914 44.734 0.286 56.500 0.00 0.00 -ATOM 11741 H1 H2O C3914 45.691 0.575 56.526 0.00 0.00 -ATOM 11742 H2 H2O C3914 44.160 1.062 56.234 0.00 0.00 -ATOM 11743 O1 H2O C3915 47.801 14.974 35.513 0.00 0.00 -ATOM 11744 H1 H2O C3915 47.649 14.340 34.754 0.00 0.00 -ATOM 11745 H2 H2O C3915 47.011 15.583 35.601 0.00 0.00 -ATOM 11746 O1 H2O C3916 43.226 43.960 50.258 0.00 0.00 -ATOM 11747 H1 H2O C3916 44.080 44.459 50.113 0.00 0.00 -ATOM 11748 H2 H2O C3916 42.858 44.185 51.161 0.00 0.00 -ATOM 11749 O1 H2O C3917 28.502 32.769 22.992 0.00 0.00 -ATOM 11750 H1 H2O C3917 28.228 33.534 22.409 0.00 0.00 -ATOM 11751 H2 H2O C3917 29.485 32.820 23.170 0.00 0.00 -ATOM 11752 O1 H2O C3918 15.950 42.917 36.242 0.00 0.00 -ATOM 11753 H1 H2O C3918 16.519 42.130 36.480 0.00 0.00 -ATOM 11754 H2 H2O C3918 15.025 42.779 36.594 0.00 0.00 -ATOM 11755 O1 H2O C3919 49.100 1.525 52.979 0.00 0.00 -ATOM 11756 H1 H2O C3919 48.579 2.120 52.367 0.00 0.00 -ATOM 11757 H2 H2O C3919 48.748 1.615 53.911 0.00 0.00 -ATOM 11758 O1 H2O C3920 43.218 11.325 27.478 0.00 0.00 -ATOM 11759 H1 H2O C3920 44.148 10.960 27.444 0.00 0.00 -ATOM 11760 H2 H2O C3920 42.622 10.677 27.951 0.00 0.00 -ATOM 11761 O1 H2O C3921 12.552 11.139 37.979 0.00 0.00 -ATOM 11762 H1 H2O C3921 12.061 11.204 38.847 0.00 0.00 -ATOM 11763 H2 H2O C3921 12.062 11.659 37.279 0.00 0.00 -ATOM 11764 O1 H2O C3922 46.906 11.268 20.168 0.00 0.00 -ATOM 11765 H1 H2O C3922 47.476 11.738 19.494 0.00 0.00 -ATOM 11766 H2 H2O C3922 46.409 10.523 19.723 0.00 0.00 -ATOM 11767 O1 H2O C3923 18.506 3.823 27.419 0.00 0.00 -ATOM 11768 H1 H2O C3923 17.571 3.831 27.774 0.00 0.00 -ATOM 11769 H2 H2O C3923 18.488 3.957 26.429 0.00 0.00 -ATOM 11770 O1 H2O C3924 22.205 49.498 10.792 0.00 0.00 -ATOM 11771 H1 H2O C3924 22.463 50.464 10.789 0.00 0.00 -ATOM 11772 H2 H2O C3924 21.220 49.416 10.643 0.00 0.00 -ATOM 11773 O1 H2O C3925 58.402 17.559 21.364 0.00 0.00 -ATOM 11774 H1 H2O C3925 58.352 18.358 21.963 0.00 0.00 -ATOM 11775 H2 H2O C3925 58.452 16.729 21.920 0.00 0.00 -ATOM 11776 O1 H2O C3926 39.673 42.006 10.227 0.00 0.00 -ATOM 11777 H1 H2O C3926 39.486 42.989 10.196 0.00 0.00 -ATOM 11778 H2 H2O C3926 39.934 41.689 9.314 0.00 0.00 -ATOM 11779 O1 H2O C3927 21.769 42.789 15.994 0.00 0.00 -ATOM 11780 H1 H2O C3927 21.503 43.751 16.050 0.00 0.00 -ATOM 11781 H2 H2O C3927 21.182 42.245 16.593 0.00 0.00 -ATOM 11782 O1 H2O C3928 10.595 32.947 42.325 0.00 0.00 -ATOM 11783 H1 H2O C3928 10.220 32.506 43.140 0.00 0.00 -ATOM 11784 H2 H2O C3928 10.446 33.935 42.382 0.00 0.00 -ATOM 11785 O1 H2O C3929 28.363 46.870 52.686 0.00 0.00 -ATOM 11786 H1 H2O C3929 28.034 47.255 51.824 0.00 0.00 -ATOM 11787 H2 H2O C3929 28.000 47.402 53.450 0.00 0.00 -ATOM 11788 O1 H2O C3930 23.988 29.902 8.220 0.00 0.00 -ATOM 11789 H1 H2O C3930 24.025 30.094 7.240 0.00 0.00 -ATOM 11790 H2 H2O C3930 24.897 30.025 8.619 0.00 0.00 -ATOM 11791 O1 H2O C3931 58.835 33.410 4.949 0.00 0.00 -ATOM 11792 H1 H2O C3931 58.416 32.507 4.858 0.00 0.00 -ATOM 11793 H2 H2O C3931 59.620 33.353 5.566 0.00 0.00 -ATOM 11794 O1 H2O C3932 59.150 50.782 47.661 0.00 0.00 -ATOM 11795 H1 H2O C3932 58.925 50.030 47.041 0.00 0.00 -ATOM 11796 H2 H2O C3932 58.324 51.312 47.855 0.00 0.00 -ATOM 11797 O1 H2O C3933 -0.020 48.081 15.247 0.00 0.00 -ATOM 11798 H1 H2O C3933 0.039 47.085 15.320 0.00 0.00 -ATOM 11799 H2 H2O C3933 0.204 48.493 16.131 0.00 0.00 -ATOM 11800 O1 H2O C3934 14.158 29.644 29.995 0.00 0.00 -ATOM 11801 H1 H2O C3934 15.042 29.903 29.605 0.00 0.00 -ATOM 11802 H2 H2O C3934 13.446 30.248 29.637 0.00 0.00 -ATOM 11803 O1 H2O C3935 6.623 43.492 16.947 0.00 0.00 -ATOM 11804 H1 H2O C3935 7.048 43.577 16.045 0.00 0.00 -ATOM 11805 H2 H2O C3935 6.345 44.396 17.271 0.00 0.00 -ATOM 11806 O1 H2O C3936 16.838 56.030 15.510 0.00 0.00 -ATOM 11807 H1 H2O C3936 17.727 55.864 15.938 0.00 0.00 -ATOM 11808 H2 H2O C3936 16.906 56.815 14.894 0.00 0.00 -ATOM 11809 O1 H2O C3937 24.457 14.572 32.406 0.00 0.00 -ATOM 11810 H1 H2O C3937 23.912 13.753 32.584 0.00 0.00 -ATOM 11811 H2 H2O C3937 24.714 14.996 33.274 0.00 0.00 -ATOM 11812 O1 H2O C3938 22.665 46.756 36.613 0.00 0.00 -ATOM 11813 H1 H2O C3938 22.966 46.198 35.840 0.00 0.00 -ATOM 11814 H2 H2O C3938 22.392 47.660 36.284 0.00 0.00 -ATOM 11815 O1 H2O C3939 49.563 31.434 25.736 0.00 0.00 -ATOM 11816 H1 H2O C3939 50.364 31.018 26.168 0.00 0.00 -ATOM 11817 H2 H2O C3939 49.148 30.779 25.104 0.00 0.00 -ATOM 11818 O1 H2O C3940 10.621 52.968 7.467 0.00 0.00 -ATOM 11819 H1 H2O C3940 10.244 53.849 7.179 0.00 0.00 -ATOM 11820 H2 H2O C3940 11.554 53.098 7.803 0.00 0.00 -ATOM 11821 O1 H2O C3941 12.683 31.026 18.074 0.00 0.00 -ATOM 11822 H1 H2O C3941 12.547 31.214 17.102 0.00 0.00 -ATOM 11823 H2 H2O C3941 13.531 30.510 18.199 0.00 0.00 -ATOM 11824 O1 H2O C3942 26.088 31.427 58.490 0.00 0.00 -ATOM 11825 H1 H2O C3942 26.149 30.430 58.538 0.00 0.00 -ATOM 11826 H2 H2O C3942 25.703 31.778 59.343 0.00 0.00 -ATOM 11827 O1 H2O C3943 20.060 0.469 32.114 0.00 0.00 -ATOM 11828 H1 H2O C3943 20.302 1.063 32.882 0.00 0.00 -ATOM 11829 H2 H2O C3943 19.086 0.570 31.910 0.00 0.00 -ATOM 11830 O1 H2O C3944 56.900 8.790 14.562 0.00 0.00 -ATOM 11831 H1 H2O C3944 56.782 8.023 15.192 0.00 0.00 -ATOM 11832 H2 H2O C3944 57.460 8.500 13.786 0.00 0.00 -ATOM 11833 O1 H2O C3945 40.036 39.072 26.399 0.00 0.00 -ATOM 11834 H1 H2O C3945 40.745 39.718 26.684 0.00 0.00 -ATOM 11835 H2 H2O C3945 39.134 39.459 26.598 0.00 0.00 -ATOM 11836 O1 H2O C3946 34.809 44.960 58.310 0.00 0.00 -ATOM 11837 H1 H2O C3946 35.225 44.071 58.118 0.00 0.00 -ATOM 11838 H2 H2O C3946 34.770 45.103 59.299 0.00 0.00 -ATOM 11839 O1 H2O C3947 48.333 48.321 33.534 0.00 0.00 -ATOM 11840 H1 H2O C3947 47.857 48.974 32.944 0.00 0.00 -ATOM 11841 H2 H2O C3947 47.899 47.423 33.454 0.00 0.00 -ATOM 11842 O1 H2O C3948 43.736 53.980 34.152 0.00 0.00 -ATOM 11843 H1 H2O C3948 43.809 54.814 33.605 0.00 0.00 -ATOM 11844 H2 H2O C3948 44.625 53.524 34.184 0.00 0.00 -ATOM 11845 O1 H2O C3949 28.457 30.959 50.622 0.00 0.00 -ATOM 11846 H1 H2O C3949 27.806 30.778 49.885 0.00 0.00 -ATOM 11847 H2 H2O C3949 28.358 31.905 50.930 0.00 0.00 -ATOM 11848 O1 H2O C3950 39.428 38.207 57.111 0.00 0.00 -ATOM 11849 H1 H2O C3950 39.027 39.096 56.890 0.00 0.00 -ATOM 11850 H2 H2O C3950 40.313 38.342 57.555 0.00 0.00 -ATOM 11851 O1 H2O C3951 26.511 56.675 24.074 0.00 0.00 -ATOM 11852 H1 H2O C3951 27.106 57.123 24.741 0.00 0.00 -ATOM 11853 H2 H2O C3951 26.292 55.752 24.389 0.00 0.00 -ATOM 11854 O1 H2O C3952 35.408 39.536 8.249 0.00 0.00 -ATOM 11855 H1 H2O C3952 35.766 40.470 8.249 0.00 0.00 -ATOM 11856 H2 H2O C3952 35.089 39.301 9.167 0.00 0.00 -ATOM 11857 O1 H2O C3953 2.120 12.226 27.886 0.00 0.00 -ATOM 11858 H1 H2O C3953 1.161 12.507 27.843 0.00 0.00 -ATOM 11859 H2 H2O C3953 2.502 12.483 28.775 0.00 0.00 -ATOM 11860 O1 H2O C3954 25.300 33.770 21.354 0.00 0.00 -ATOM 11861 H1 H2O C3954 25.887 34.298 21.968 0.00 0.00 -ATOM 11862 H2 H2O C3954 25.729 32.888 21.160 0.00 0.00 -ATOM 11863 O1 H2O C3955 21.340 21.087 32.382 0.00 0.00 -ATOM 11864 H1 H2O C3955 21.421 21.303 31.409 0.00 0.00 -ATOM 11865 H2 H2O C3955 22.252 20.945 32.769 0.00 0.00 -ATOM 11866 O1 H2O C3956 0.646 48.295 29.841 0.00 0.00 -ATOM 11867 H1 H2O C3956 0.695 49.176 30.312 0.00 0.00 -ATOM 11868 H2 H2O C3956 1.065 48.378 28.936 0.00 0.00 -ATOM 11869 O1 H2O C3957 4.009 52.091 47.794 0.00 0.00 -ATOM 11870 H1 H2O C3957 3.486 51.323 48.165 0.00 0.00 -ATOM 11871 H2 H2O C3957 3.380 52.771 47.416 0.00 0.00 -ATOM 11872 O1 H2O C3958 12.789 7.066 42.928 0.00 0.00 -ATOM 11873 H1 H2O C3958 12.718 7.054 43.926 0.00 0.00 -ATOM 11874 H2 H2O C3958 11.872 7.046 42.529 0.00 0.00 -ATOM 11875 O1 H2O C3959 48.120 15.077 48.824 0.00 0.00 -ATOM 11876 H1 H2O C3959 48.787 15.262 49.546 0.00 0.00 -ATOM 11877 H2 H2O C3959 48.547 14.519 48.112 0.00 0.00 -ATOM 11878 O1 H2O C3960 3.056 45.535 25.920 0.00 0.00 -ATOM 11879 H1 H2O C3960 2.479 45.967 26.613 0.00 0.00 -ATOM 11880 H2 H2O C3960 3.867 46.099 25.762 0.00 0.00 -ATOM 11881 O1 H2O C3961 27.787 32.241 24.385 0.00 0.00 -ATOM 11882 H1 H2O C3961 26.800 32.392 24.324 0.00 0.00 -ATOM 11883 H2 H2O C3961 28.037 32.052 25.336 0.00 0.00 -ATOM 11884 O1 H2O C3962 33.823 53.777 52.221 0.00 0.00 -ATOM 11885 H1 H2O C3962 34.593 53.161 52.390 0.00 0.00 -ATOM 11886 H2 H2O C3962 33.636 54.312 53.045 0.00 0.00 -ATOM 11887 O1 H2O C3963 6.816 13.099 51.935 0.00 0.00 -ATOM 11888 H1 H2O C3963 6.141 12.393 52.145 0.00 0.00 -ATOM 11889 H2 H2O C3963 6.794 13.302 50.956 0.00 0.00 -ATOM 11890 O1 H2O C3964 38.288 46.487 33.840 0.00 0.00 -ATOM 11891 H1 H2O C3964 38.734 47.299 33.464 0.00 0.00 -ATOM 11892 H2 H2O C3964 38.513 46.402 34.811 0.00 0.00 -ATOM 11893 O1 H2O C3965 51.836 28.101 15.430 0.00 0.00 -ATOM 11894 H1 H2O C3965 51.015 28.661 15.541 0.00 0.00 -ATOM 11895 H2 H2O C3965 52.613 28.558 15.862 0.00 0.00 -ATOM 11896 O1 H2O C3966 23.153 11.575 57.327 0.00 0.00 -ATOM 11897 H1 H2O C3966 22.177 11.665 57.125 0.00 0.00 -ATOM 11898 H2 H2O C3966 23.528 12.471 57.567 0.00 0.00 -ATOM 11899 O1 H2O C3967 28.818 22.192 1.403 0.00 0.00 -ATOM 11900 H1 H2O C3967 27.981 21.900 0.940 0.00 0.00 -ATOM 11901 H2 H2O C3967 28.675 22.175 2.392 0.00 0.00 -ATOM 11902 O1 H2O C3968 50.732 20.687 0.382 0.00 0.00 -ATOM 11903 H1 H2O C3968 50.853 21.649 0.137 0.00 0.00 -ATOM 11904 H2 H2O C3968 50.815 20.122 -0.439 0.00 0.00 -ATOM 11905 O1 H2O C3969 40.564 47.632 19.317 0.00 0.00 -ATOM 11906 H1 H2O C3969 39.889 48.286 19.660 0.00 0.00 -ATOM 11907 H2 H2O C3969 40.257 47.265 18.439 0.00 0.00 -ATOM 11908 O1 H2O C3970 1.760 35.542 49.733 0.00 0.00 -ATOM 11909 H1 H2O C3970 2.737 35.539 49.523 0.00 0.00 -ATOM 11910 H2 H2O C3970 1.632 35.603 50.723 0.00 0.00 -ATOM 11911 O1 H2O C3971 20.709 51.915 15.962 0.00 0.00 -ATOM 11912 H1 H2O C3971 21.089 51.340 16.687 0.00 0.00 -ATOM 11913 H2 H2O C3971 21.066 51.615 15.077 0.00 0.00 -ATOM 11914 O1 H2O C3972 16.936 57.787 30.079 0.00 0.00 -ATOM 11915 H1 H2O C3972 16.012 57.496 29.830 0.00 0.00 -ATOM 11916 H2 H2O C3972 17.591 57.078 29.818 0.00 0.00 -ATOM 11917 O1 H2O C3973 17.537 5.108 53.362 0.00 0.00 -ATOM 11918 H1 H2O C3973 17.502 5.669 52.535 0.00 0.00 -ATOM 11919 H2 H2O C3973 18.218 4.385 53.246 0.00 0.00 -ATOM 11920 O1 H2O C3974 40.699 3.888 15.094 0.00 0.00 -ATOM 11921 H1 H2O C3974 40.051 3.484 15.739 0.00 0.00 -ATOM 11922 H2 H2O C3974 40.784 3.297 14.292 0.00 0.00 -ATOM 11923 O1 H2O C3975 2.006 28.367 8.366 0.00 0.00 -ATOM 11924 H1 H2O C3975 2.130 27.517 8.879 0.00 0.00 -ATOM 11925 H2 H2O C3975 2.589 28.353 7.554 0.00 0.00 -ATOM 11926 O1 H2O C3976 19.555 44.072 45.457 0.00 0.00 -ATOM 11927 H1 H2O C3976 19.366 44.239 46.425 0.00 0.00 -ATOM 11928 H2 H2O C3976 18.959 44.651 44.898 0.00 0.00 -ATOM 11929 O1 H2O C3977 53.318 55.352 7.902 0.00 0.00 -ATOM 11930 H1 H2O C3977 52.577 54.813 8.304 0.00 0.00 -ATOM 11931 H2 H2O C3977 52.971 56.255 7.646 0.00 0.00 -ATOM 11932 O1 H2O C3978 7.559 30.594 48.607 0.00 0.00 -ATOM 11933 H1 H2O C3978 8.369 30.165 48.206 0.00 0.00 -ATOM 11934 H2 H2O C3978 6.843 29.907 48.728 0.00 0.00 -ATOM 11935 O1 H2O C3979 48.675 25.742 6.735 0.00 0.00 -ATOM 11936 H1 H2O C3979 48.614 25.129 5.947 0.00 0.00 -ATOM 11937 H2 H2O C3979 48.213 25.325 7.518 0.00 0.00 -ATOM 11938 O1 H2O C3980 2.637 43.971 34.367 0.00 0.00 -ATOM 11939 H1 H2O C3980 3.011 44.607 33.692 0.00 0.00 -ATOM 11940 H2 H2O C3980 2.926 43.040 34.143 0.00 0.00 -ATOM 11941 O1 H2O C3981 39.075 43.623 54.170 0.00 0.00 -ATOM 11942 H1 H2O C3981 39.007 44.352 54.852 0.00 0.00 -ATOM 11943 H2 H2O C3981 38.176 43.466 53.760 0.00 0.00 -ATOM 11944 O1 H2O C3982 5.582 18.408 3.100 0.00 0.00 -ATOM 11945 H1 H2O C3982 4.613 18.192 2.983 0.00 0.00 -ATOM 11946 H2 H2O C3982 5.674 19.312 3.516 0.00 0.00 -ATOM 11947 O1 H2O C3983 7.041 37.898 42.103 0.00 0.00 -ATOM 11948 H1 H2O C3983 6.670 37.716 41.192 0.00 0.00 -ATOM 11949 H2 H2O C3983 8.001 38.167 42.024 0.00 0.00 -ATOM 11950 O1 H2O C3984 57.951 42.841 5.928 0.00 0.00 -ATOM 11951 H1 H2O C3984 58.781 42.696 5.389 0.00 0.00 -ATOM 11952 H2 H2O C3984 57.343 43.468 5.441 0.00 0.00 -ATOM 11953 O1 H2O C3985 16.841 14.247 51.886 0.00 0.00 -ATOM 11954 H1 H2O C3985 17.302 14.453 52.749 0.00 0.00 -ATOM 11955 H2 H2O C3985 17.336 13.521 51.409 0.00 0.00 -ATOM 11956 O1 H2O C3986 -0.011 20.618 3.678 0.00 0.00 -ATOM 11957 H1 H2O C3986 -0.001 21.010 4.599 0.00 0.00 -ATOM 11958 H2 H2O C3986 0.205 19.643 3.730 0.00 0.00 -ATOM 11959 O1 H2O C3987 55.883 14.373 32.350 0.00 0.00 -ATOM 11960 H1 H2O C3987 55.989 13.581 31.749 0.00 0.00 -ATOM 11961 H2 H2O C3987 54.995 14.801 32.183 0.00 0.00 -ATOM 11962 O1 H2O C3988 46.336 2.934 18.342 0.00 0.00 -ATOM 11963 H1 H2O C3988 46.604 3.887 18.197 0.00 0.00 -ATOM 11964 H2 H2O C3988 46.124 2.792 19.310 0.00 0.00 -ATOM 11965 O1 H2O C3989 55.281 22.667 31.146 0.00 0.00 -ATOM 11966 H1 H2O C3989 55.503 23.632 31.003 0.00 0.00 -ATOM 11967 H2 H2O C3989 55.255 22.474 32.127 0.00 0.00 -ATOM 11968 O1 H2O C3990 30.805 5.694 15.576 0.00 0.00 -ATOM 11969 H1 H2O C3990 30.287 5.860 16.415 0.00 0.00 -ATOM 11970 H2 H2O C3990 31.460 4.954 15.729 0.00 0.00 -ATOM 11971 O1 H2O C3991 57.193 20.647 42.834 0.00 0.00 -ATOM 11972 H1 H2O C3991 57.079 21.253 42.046 0.00 0.00 -ATOM 11973 H2 H2O C3991 57.928 19.994 42.647 0.00 0.00 -ATOM 11974 O1 H2O C3992 8.841 34.119 30.038 0.00 0.00 -ATOM 11975 H1 H2O C3992 8.246 33.780 29.309 0.00 0.00 -ATOM 11976 H2 H2O C3992 8.745 33.537 30.845 0.00 0.00 -ATOM 11977 O1 H2O C3993 1.640 38.579 30.692 0.00 0.00 -ATOM 11978 H1 H2O C3993 0.923 38.380 30.025 0.00 0.00 -ATOM 11979 H2 H2O C3993 1.316 38.348 31.610 0.00 0.00 -ATOM 11980 O1 H2O C3994 25.980 54.491 13.710 0.00 0.00 -ATOM 11981 H1 H2O C3994 26.302 55.356 14.095 0.00 0.00 -ATOM 11982 H2 H2O C3994 26.473 54.300 12.861 0.00 0.00 -ATOM 11983 O1 H2O C3995 31.714 19.820 41.429 0.00 0.00 -ATOM 11984 H1 H2O C3995 31.374 18.881 41.482 0.00 0.00 -ATOM 11985 H2 H2O C3995 32.005 20.120 42.338 0.00 0.00 -ATOM 11986 O1 H2O C3996 24.663 38.759 24.440 0.00 0.00 -ATOM 11987 H1 H2O C3996 25.195 37.914 24.368 0.00 0.00 -ATOM 11988 H2 H2O C3996 23.772 38.556 24.847 0.00 0.00 -ATOM 11989 O1 H2O C3997 54.866 5.711 36.310 0.00 0.00 -ATOM 11990 H1 H2O C3997 54.287 6.135 37.006 0.00 0.00 -ATOM 11991 H2 H2O C3997 55.293 6.423 35.752 0.00 0.00 -ATOM 11992 O1 H2O C3998 46.783 50.567 51.422 0.00 0.00 -ATOM 11993 H1 H2O C3998 46.843 51.533 51.676 0.00 0.00 -ATOM 11994 H2 H2O C3998 46.025 50.438 50.782 0.00 0.00 -ATOM 11995 O1 H2O C3999 24.205 17.298 18.168 0.00 0.00 -ATOM 11996 H1 H2O C3999 23.455 17.431 18.816 0.00 0.00 -ATOM 11997 H2 H2O C3999 24.888 16.687 18.568 0.00 0.00 -ATOM 11998 O1 H2O C4000 6.448 40.833 11.123 0.00 0.00 -ATOM 11999 H1 H2O C4000 5.952 41.320 10.403 0.00 0.00 -ATOM 12000 H2 H2O C4000 6.661 39.907 10.813 0.00 0.00 -ATOM 12001 O1 H2O C4001 4.153 26.806 32.730 0.00 0.00 -ATOM 12002 H1 H2O C4001 4.796 27.114 33.431 0.00 0.00 -ATOM 12003 H2 H2O C4001 3.813 27.596 32.220 0.00 0.00 -ATOM 12004 O1 H2O C4002 23.388 53.311 57.281 0.00 0.00 -ATOM 12005 H1 H2O C4002 23.694 52.801 56.476 0.00 0.00 -ATOM 12006 H2 H2O C4002 23.058 52.670 57.975 0.00 0.00 -ATOM 12007 O1 H2O C4003 41.891 51.548 18.408 0.00 0.00 -ATOM 12008 H1 H2O C4003 41.923 52.548 18.408 0.00 0.00 -ATOM 12009 H2 H2O C4003 42.092 51.209 19.328 0.00 0.00 -ATOM 12010 O1 H2O C4004 47.157 57.190 54.377 0.00 0.00 -ATOM 12011 H1 H2O C4004 46.390 56.586 54.595 0.00 0.00 -ATOM 12012 H2 H2O C4004 47.109 57.456 53.415 0.00 0.00 -ATOM 12013 O1 H2O C4005 0.415 57.871 50.957 0.00 0.00 -ATOM 12014 H1 H2O C4005 -0.244 57.151 51.177 0.00 0.00 -ATOM 12015 H2 H2O C4005 1.255 57.726 51.480 0.00 0.00 -ATOM 12016 O1 H2O C4006 23.256 25.389 41.653 0.00 0.00 -ATOM 12017 H1 H2O C4006 23.896 26.132 41.853 0.00 0.00 -ATOM 12018 H2 H2O C4006 23.405 25.066 40.718 0.00 0.00 -ATOM 12019 O1 H2O C4007 41.167 33.817 15.732 0.00 0.00 -ATOM 12020 H1 H2O C4007 41.999 33.892 15.183 0.00 0.00 -ATOM 12021 H2 H2O C4007 41.256 33.052 16.370 0.00 0.00 -ATOM 12022 O1 H2O C4008 56.375 29.406 54.667 0.00 0.00 -ATOM 12023 H1 H2O C4008 57.281 29.625 54.306 0.00 0.00 -ATOM 12024 H2 H2O C4008 56.343 28.441 54.927 0.00 0.00 -ATOM 12025 O1 H2O C4009 37.724 4.888 32.448 0.00 0.00 -ATOM 12026 H1 H2O C4009 37.660 5.633 31.784 0.00 0.00 -ATOM 12027 H2 H2O C4009 37.747 4.012 31.966 0.00 0.00 -ATOM 12028 O1 H2O C4010 57.935 37.025 20.103 0.00 0.00 -ATOM 12029 H1 H2O C4010 58.833 36.593 20.027 0.00 0.00 -ATOM 12030 H2 H2O C4010 57.645 37.026 21.060 0.00 0.00 -ATOM 12031 O1 H2O C4011 59.204 24.098 8.427 0.00 0.00 -ATOM 12032 H1 H2O C4011 59.815 23.324 8.594 0.00 0.00 -ATOM 12033 H2 H2O C4011 59.213 24.325 7.453 0.00 0.00 -ATOM 12034 O1 H2O C4012 10.593 28.512 12.920 0.00 0.00 -ATOM 12035 H1 H2O C4012 11.419 28.983 12.611 0.00 0.00 -ATOM 12036 H2 H2O C4012 10.698 28.252 13.881 0.00 0.00 -ATOM 12037 O1 H2O C4013 40.975 40.051 46.749 0.00 0.00 -ATOM 12038 H1 H2O C4013 41.792 39.613 46.373 0.00 0.00 -ATOM 12039 H2 H2O C4013 40.194 39.433 46.657 0.00 0.00 -ATOM 12040 O1 H2O C4014 16.599 34.974 21.679 0.00 0.00 -ATOM 12041 H1 H2O C4014 16.386 35.917 21.419 0.00 0.00 -ATOM 12042 H2 H2O C4014 17.462 34.955 22.184 0.00 0.00 -ATOM 12043 O1 H2O C4015 54.503 46.441 20.301 0.00 0.00 -ATOM 12044 H1 H2O C4015 53.610 46.876 20.418 0.00 0.00 -ATOM 12045 H2 H2O C4015 54.650 45.780 21.038 0.00 0.00 -ATOM 12046 O1 H2O C4016 0.354 29.749 39.827 0.00 0.00 -ATOM 12047 H1 H2O C4016 1.150 29.428 39.314 0.00 0.00 -ATOM 12048 H2 H2O C4016 -0.015 28.999 40.375 0.00 0.00 -ATOM 12049 O1 H2O C4017 57.898 29.573 35.291 0.00 0.00 -ATOM 12050 H1 H2O C4017 57.915 30.214 34.523 0.00 0.00 -ATOM 12051 H2 H2O C4017 57.432 28.733 35.014 0.00 0.00 -ATOM 12052 O1 H2O C4018 28.284 40.633 19.173 0.00 0.00 -ATOM 12053 H1 H2O C4018 29.124 40.415 19.671 0.00 0.00 -ATOM 12054 H2 H2O C4018 28.517 40.981 18.265 0.00 0.00 -ATOM 12055 O1 H2O C4019 18.580 44.161 26.505 0.00 0.00 -ATOM 12056 H1 H2O C4019 18.274 43.259 26.201 0.00 0.00 -ATOM 12057 H2 H2O C4019 18.664 44.165 27.502 0.00 0.00 -ATOM 12058 O1 H2O C4020 41.616 52.674 22.129 0.00 0.00 -ATOM 12059 H1 H2O C4020 41.095 53.443 21.761 0.00 0.00 -ATOM 12060 H2 H2O C4020 41.110 51.825 21.978 0.00 0.00 -ATOM 12061 O1 H2O C4021 38.135 8.035 52.390 0.00 0.00 -ATOM 12062 H1 H2O C4021 38.573 8.368 53.225 0.00 0.00 -ATOM 12063 H2 H2O C4021 37.997 7.046 52.459 0.00 0.00 -ATOM 12064 O1 H2O C4022 41.078 50.012 2.487 0.00 0.00 -ATOM 12065 H1 H2O C4022 42.002 50.064 2.108 0.00 0.00 -ATOM 12066 H2 H2O C4022 40.429 50.409 1.838 0.00 0.00 -ATOM 12067 O1 H2O C4023 58.769 30.103 30.436 0.00 0.00 -ATOM 12068 H1 H2O C4023 58.968 30.574 29.577 0.00 0.00 -ATOM 12069 H2 H2O C4023 58.609 30.777 31.158 0.00 0.00 -ATOM 12070 O1 H2O C4024 0.232 30.804 13.686 0.00 0.00 -ATOM 12071 H1 H2O C4024 0.540 31.642 13.236 0.00 0.00 -ATOM 12072 H2 H2O C4024 -0.550 31.010 14.275 0.00 0.00 -ATOM 12073 O1 H2O C4025 58.281 10.838 52.407 0.00 0.00 -ATOM 12074 H1 H2O C4025 57.407 11.129 52.796 0.00 0.00 -ATOM 12075 H2 H2O C4025 58.890 10.541 53.142 0.00 0.00 -ATOM 12076 O1 H2O C4026 14.245 50.667 17.731 0.00 0.00 -ATOM 12077 H1 H2O C4026 14.833 51.148 17.080 0.00 0.00 -ATOM 12078 H2 H2O C4026 14.640 50.730 18.647 0.00 0.00 -ATOM 12079 O1 H2O C4027 8.373 15.811 23.900 0.00 0.00 -ATOM 12080 H1 H2O C4027 7.426 15.640 24.169 0.00 0.00 -ATOM 12081 H2 H2O C4027 8.426 15.900 22.905 0.00 0.00 -ATOM 12082 O1 H2O C4028 20.100 28.245 50.052 0.00 0.00 -ATOM 12083 H1 H2O C4028 19.629 28.859 50.686 0.00 0.00 -ATOM 12084 H2 H2O C4028 20.166 27.334 50.459 0.00 0.00 -ATOM 12085 O1 H2O C4029 9.185 20.578 23.633 0.00 0.00 -ATOM 12086 H1 H2O C4029 8.476 19.874 23.689 0.00 0.00 -ATOM 12087 H2 H2O C4029 8.891 21.296 23.001 0.00 0.00 -ATOM 12088 O1 H2O C4030 42.605 6.672 43.888 0.00 0.00 -ATOM 12089 H1 H2O C4030 41.623 6.488 43.837 0.00 0.00 -ATOM 12090 H2 H2O C4030 42.939 6.449 44.804 0.00 0.00 -ATOM 12091 O1 H2O C4031 19.977 19.912 7.474 0.00 0.00 -ATOM 12092 H1 H2O C4031 19.372 20.708 7.510 0.00 0.00 -ATOM 12093 H2 H2O C4031 19.595 19.231 6.848 0.00 0.00 -ATOM 12094 O1 H2O C4032 8.724 47.250 49.209 0.00 0.00 -ATOM 12095 H1 H2O C4032 9.060 48.117 49.578 0.00 0.00 -ATOM 12096 H2 H2O C4032 7.737 47.313 49.059 0.00 0.00 -ATOM 12097 O1 H2O C4033 6.159 33.681 32.218 0.00 0.00 -ATOM 12098 H1 H2O C4033 5.376 34.180 31.847 0.00 0.00 -ATOM 12099 H2 H2O C4033 6.673 34.277 32.833 0.00 0.00 -ATOM 12100 O1 H2O C4034 52.497 54.117 48.652 0.00 0.00 -ATOM 12101 H1 H2O C4034 51.774 54.690 49.037 0.00 0.00 -ATOM 12102 H2 H2O C4034 53.141 54.689 48.143 0.00 0.00 -ATOM 12103 O1 H2O C4035 46.083 31.388 49.661 0.00 0.00 -ATOM 12104 H1 H2O C4035 45.797 30.457 49.434 0.00 0.00 -ATOM 12105 H2 H2O C4035 46.989 31.364 50.084 0.00 0.00 -ATOM 12106 O1 H2O C4036 16.798 32.213 18.467 0.00 0.00 -ATOM 12107 H1 H2O C4036 17.344 31.465 18.846 0.00 0.00 -ATOM 12108 H2 H2O C4036 16.942 33.039 19.012 0.00 0.00 -ATOM 12109 O1 H2O C4037 22.819 15.370 37.247 0.00 0.00 -ATOM 12110 H1 H2O C4037 23.131 16.147 37.793 0.00 0.00 -ATOM 12111 H2 H2O C4037 23.589 14.993 36.732 0.00 0.00 -ATOM 12112 O1 H2O C4038 46.922 32.115 52.422 0.00 0.00 -ATOM 12113 H1 H2O C4038 46.421 32.929 52.127 0.00 0.00 -ATOM 12114 H2 H2O C4038 47.878 32.191 52.138 0.00 0.00 -ATOM 12115 O1 H2O C4039 55.186 53.588 59.584 0.00 0.00 -ATOM 12116 H1 H2O C4039 55.812 53.632 60.362 0.00 0.00 -ATOM 12117 H2 H2O C4039 55.571 52.991 58.880 0.00 0.00 -ATOM 12118 O1 H2O C4040 40.317 31.727 37.108 0.00 0.00 -ATOM 12119 H1 H2O C4040 41.048 32.310 36.754 0.00 0.00 -ATOM 12120 H2 H2O C4040 40.416 31.634 38.099 0.00 0.00 -ATOM 12121 O1 H2O C4041 10.866 56.849 30.697 0.00 0.00 -ATOM 12122 H1 H2O C4041 10.031 56.570 30.223 0.00 0.00 -ATOM 12123 H2 H2O C4041 10.626 57.339 31.535 0.00 0.00 -ATOM 12124 O1 H2O C4042 3.697 17.222 0.373 0.00 0.00 -ATOM 12125 H1 H2O C4042 3.445 16.342 -0.032 0.00 0.00 -ATOM 12126 H2 H2O C4042 3.474 17.214 1.348 0.00 0.00 -ATOM 12127 O1 H2O C4043 51.936 9.983 58.526 0.00 0.00 -ATOM 12128 H1 H2O C4043 52.538 10.358 59.232 0.00 0.00 -ATOM 12129 H2 H2O C4043 51.212 10.642 58.321 0.00 0.00 -ATOM 12130 O1 H2O C4044 50.965 35.032 29.129 0.00 0.00 -ATOM 12131 H1 H2O C4044 50.189 34.467 29.414 0.00 0.00 -ATOM 12132 H2 H2O C4044 51.817 34.539 29.306 0.00 0.00 -ATOM 12133 O1 H2O C4045 6.189 15.311 17.981 0.00 0.00 -ATOM 12134 H1 H2O C4045 5.601 16.026 18.364 0.00 0.00 -ATOM 12135 H2 H2O C4045 6.074 14.469 18.509 0.00 0.00 -ATOM 12136 O1 H2O C4046 41.440 55.461 9.744 0.00 0.00 -ATOM 12137 H1 H2O C4046 40.619 55.440 10.316 0.00 0.00 -ATOM 12138 H2 H2O C4046 41.970 56.283 9.952 0.00 0.00 -ATOM 12139 O1 H2O C4047 46.897 38.933 22.848 0.00 0.00 -ATOM 12140 H1 H2O C4047 46.532 38.123 23.309 0.00 0.00 -ATOM 12141 H2 H2O C4047 46.163 39.382 22.336 0.00 0.00 -ATOM 12142 O1 H2O C4048 36.415 17.171 14.853 0.00 0.00 -ATOM 12143 H1 H2O C4048 37.201 17.215 14.237 0.00 0.00 -ATOM 12144 H2 H2O C4048 35.767 16.486 14.517 0.00 0.00 -ATOM 12145 O1 H2O C4049 43.287 9.556 53.229 0.00 0.00 -ATOM 12146 H1 H2O C4049 43.981 9.291 53.899 0.00 0.00 -ATOM 12147 H2 H2O C4049 43.282 8.899 52.476 0.00 0.00 -ATOM 12148 O1 H2O C4050 14.809 38.821 38.758 0.00 0.00 -ATOM 12149 H1 H2O C4050 14.613 38.920 37.783 0.00 0.00 -ATOM 12150 H2 H2O C4050 14.758 39.716 39.201 0.00 0.00 -ATOM 12151 O1 H2O C4051 10.633 29.568 2.876 0.00 0.00 -ATOM 12152 H1 H2O C4051 11.119 29.983 2.106 0.00 0.00 -ATOM 12153 H2 H2O C4051 11.113 28.740 3.165 0.00 0.00 -ATOM 12154 O1 H2O C4052 4.129 9.566 4.268 0.00 0.00 -ATOM 12155 H1 H2O C4052 4.241 8.836 3.594 0.00 0.00 -ATOM 12156 H2 H2O C4052 4.948 9.620 4.840 0.00 0.00 -ATOM 12157 O1 H2O C4053 28.556 3.923 37.069 0.00 0.00 -ATOM 12158 H1 H2O C4053 27.649 3.531 36.916 0.00 0.00 -ATOM 12159 H2 H2O C4053 28.468 4.782 37.573 0.00 0.00 -ATOM 12160 O1 H2O C4054 9.827 29.909 32.689 0.00 0.00 -ATOM 12161 H1 H2O C4054 10.220 29.902 31.769 0.00 0.00 -ATOM 12162 H2 H2O C4054 9.171 29.158 32.777 0.00 0.00 -ATOM 12163 O1 H2O C4055 56.387 25.701 22.904 0.00 0.00 -ATOM 12164 H1 H2O C4055 57.300 25.805 23.300 0.00 0.00 -ATOM 12165 H2 H2O C4055 55.702 25.758 23.631 0.00 0.00 -ATOM 12166 O1 H2O C4056 16.200 0.510 33.600 0.00 0.00 -ATOM 12167 H1 H2O C4056 16.101 0.581 32.607 0.00 0.00 -ATOM 12168 H2 H2O C4056 16.937 -0.131 33.816 0.00 0.00 -ATOM 12169 O1 H2O C4057 17.775 42.189 18.886 0.00 0.00 -ATOM 12170 H1 H2O C4057 18.534 42.478 19.469 0.00 0.00 -ATOM 12171 H2 H2O C4057 17.540 41.239 19.092 0.00 0.00 -ATOM 12172 O1 H2O C4058 2.786 13.573 41.688 0.00 0.00 -ATOM 12173 H1 H2O C4058 3.782 13.660 41.726 0.00 0.00 -ATOM 12174 H2 H2O C4058 2.463 13.087 42.500 0.00 0.00 -ATOM 12175 O1 H2O C4059 8.129 36.035 20.357 0.00 0.00 -ATOM 12176 H1 H2O C4059 9.056 36.388 20.230 0.00 0.00 -ATOM 12177 H2 H2O C4059 8.173 35.108 20.729 0.00 0.00 -ATOM 12178 O1 H2O C4060 19.598 43.929 27.655 0.00 0.00 -ATOM 12179 H1 H2O C4060 18.766 43.467 27.963 0.00 0.00 -ATOM 12180 H2 H2O C4060 19.374 44.858 27.362 0.00 0.00 -ATOM 12181 O1 H2O C4061 55.644 58.228 35.530 0.00 0.00 -ATOM 12182 H1 H2O C4061 56.313 58.476 36.230 0.00 0.00 -ATOM 12183 H2 H2O C4061 54.952 57.627 35.928 0.00 0.00 -ATOM 12184 O1 H2O C4062 17.440 42.051 10.269 0.00 0.00 -ATOM 12185 H1 H2O C4062 17.282 42.938 9.834 0.00 0.00 -ATOM 12186 H2 H2O C4062 17.179 42.103 11.233 0.00 0.00 -ATOM 12187 O1 H2O C4063 34.631 57.529 56.991 0.00 0.00 -ATOM 12188 H1 H2O C4063 35.327 57.073 56.436 0.00 0.00 -ATOM 12189 H2 H2O C4063 35.049 57.878 57.829 0.00 0.00 -ATOM 12190 O1 H2O C4064 9.112 37.326 53.137 0.00 0.00 -ATOM 12191 H1 H2O C4064 8.525 36.799 53.751 0.00 0.00 -ATOM 12192 H2 H2O C4064 9.842 36.739 52.787 0.00 0.00 -ATOM 12193 O1 H2O C4065 47.971 42.240 46.162 0.00 0.00 -ATOM 12194 H1 H2O C4065 47.155 41.769 45.825 0.00 0.00 -ATOM 12195 H2 H2O C4065 48.395 41.693 46.885 0.00 0.00 -ATOM 12196 O1 H2O C4066 24.673 25.415 36.823 0.00 0.00 -ATOM 12197 H1 H2O C4066 24.235 24.521 36.726 0.00 0.00 -ATOM 12198 H2 H2O C4066 24.354 26.022 36.095 0.00 0.00 -ATOM 12199 O1 H2O C4067 27.368 4.948 57.385 0.00 0.00 -ATOM 12200 H1 H2O C4067 27.416 5.632 56.657 0.00 0.00 -ATOM 12201 H2 H2O C4067 28.179 5.021 57.965 0.00 0.00 -ATOM 12202 O1 H2O C4068 9.898 41.249 34.188 0.00 0.00 -ATOM 12203 H1 H2O C4068 8.950 41.537 34.054 0.00 0.00 -ATOM 12204 H2 H2O C4068 10.183 40.672 33.423 0.00 0.00 -ATOM 12205 O1 H2O C4069 22.363 37.313 45.449 0.00 0.00 -ATOM 12206 H1 H2O C4069 21.547 37.793 45.125 0.00 0.00 -ATOM 12207 H2 H2O C4069 23.164 37.898 45.325 0.00 0.00 -ATOM 12208 O1 H2O C4070 58.681 37.814 8.626 0.00 0.00 -ATOM 12209 H1 H2O C4070 58.876 38.120 7.695 0.00 0.00 -ATOM 12210 H2 H2O C4070 58.363 36.866 8.606 0.00 0.00 -ATOM 12211 O1 H2O C4071 56.132 51.741 14.549 0.00 0.00 -ATOM 12212 H1 H2O C4071 55.986 51.650 13.564 0.00 0.00 -ATOM 12213 H2 H2O C4071 56.396 52.683 14.761 0.00 0.00 -ATOM 12214 O1 H2O C4072 4.007 29.109 46.600 0.00 0.00 -ATOM 12215 H1 H2O C4072 3.692 28.413 47.248 0.00 0.00 -ATOM 12216 H2 H2O C4072 4.709 29.673 47.035 0.00 0.00 -ATOM 12217 O1 H2O C4073 46.551 22.519 38.967 0.00 0.00 -ATOM 12218 H1 H2O C4073 46.226 22.748 38.049 0.00 0.00 -ATOM 12219 H2 H2O C4073 45.786 22.559 39.610 0.00 0.00 -ATOM 12220 O1 H2O C4074 12.238 10.116 56.281 0.00 0.00 -ATOM 12221 H1 H2O C4074 12.210 10.062 57.279 0.00 0.00 -ATOM 12222 H2 H2O C4074 11.304 10.146 55.923 0.00 0.00 -ATOM 12223 O1 H2O C4075 15.231 25.510 16.679 0.00 0.00 -ATOM 12224 H1 H2O C4075 14.643 24.729 16.892 0.00 0.00 -ATOM 12225 H2 H2O C4075 14.672 26.264 16.335 0.00 0.00 -ATOM 12226 O1 H2O C4076 7.636 30.901 9.737 0.00 0.00 -ATOM 12227 H1 H2O C4076 7.634 30.916 10.736 0.00 0.00 -ATOM 12228 H2 H2O C4076 7.293 31.774 9.390 0.00 0.00 -ATOM 12229 O1 H2O C4077 28.704 49.721 24.685 0.00 0.00 -ATOM 12230 H1 H2O C4077 28.706 49.827 25.680 0.00 0.00 -ATOM 12231 H2 H2O C4077 28.608 48.752 24.455 0.00 0.00 -ATOM 12232 O1 H2O C4078 29.610 19.297 40.550 0.00 0.00 -ATOM 12233 H1 H2O C4078 28.858 18.655 40.397 0.00 0.00 -ATOM 12234 H2 H2O C4078 29.389 20.176 40.128 0.00 0.00 -ATOM 12235 O1 H2O C4079 59.555 9.142 25.568 0.00 0.00 -ATOM 12236 H1 H2O C4079 60.060 8.278 25.574 0.00 0.00 -ATOM 12237 H2 H2O C4079 58.762 9.059 24.963 0.00 0.00 -ATOM 12238 O1 H2O C4080 7.770 6.719 8.969 0.00 0.00 -ATOM 12239 H1 H2O C4080 7.965 6.618 7.993 0.00 0.00 -ATOM 12240 H2 H2O C4080 6.965 6.176 9.206 0.00 0.00 -ATOM 12241 O1 H2O C4081 37.088 19.978 56.108 0.00 0.00 -ATOM 12242 H1 H2O C4081 36.101 20.057 55.968 0.00 0.00 -ATOM 12243 H2 H2O C4081 37.567 20.498 55.401 0.00 0.00 -ATOM 12244 O1 H2O C4082 37.381 39.319 36.269 0.00 0.00 -ATOM 12245 H1 H2O C4082 37.845 39.359 35.384 0.00 0.00 -ATOM 12246 H2 H2O C4082 36.585 39.923 36.255 0.00 0.00 -ATOM 12247 O1 H2O C4083 43.008 57.971 2.854 0.00 0.00 -ATOM 12248 H1 H2O C4083 42.960 58.004 3.852 0.00 0.00 -ATOM 12249 H2 H2O C4083 43.951 57.786 2.573 0.00 0.00 -ATOM 12250 O1 H2O C4084 6.539 30.986 37.408 0.00 0.00 -ATOM 12251 H1 H2O C4084 6.798 31.241 36.476 0.00 0.00 -ATOM 12252 H2 H2O C4084 5.546 31.051 37.507 0.00 0.00 -ATOM 12253 O1 H2O C4085 37.478 11.690 28.019 0.00 0.00 -ATOM 12254 H1 H2O C4085 37.804 11.699 28.964 0.00 0.00 -ATOM 12255 H2 H2O C4085 36.527 11.998 27.991 0.00 0.00 -ATOM 12256 O1 H2O C4086 34.453 15.113 5.688 0.00 0.00 -ATOM 12257 H1 H2O C4086 34.079 14.600 4.916 0.00 0.00 -ATOM 12258 H2 H2O C4086 35.281 14.660 6.020 0.00 0.00 -ATOM 12259 O1 H2O C4087 50.547 56.240 29.971 0.00 0.00 -ATOM 12260 H1 H2O C4087 50.424 57.217 30.148 0.00 0.00 -ATOM 12261 H2 H2O C4087 50.000 55.713 30.622 0.00 0.00 -ATOM 12262 O1 H2O C4088 15.605 5.914 42.291 0.00 0.00 -ATOM 12263 H1 H2O C4088 15.525 6.803 42.745 0.00 0.00 -ATOM 12264 H2 H2O C4088 15.640 5.191 42.981 0.00 0.00 -ATOM 12265 O1 H2O C4089 14.915 1.364 56.360 0.00 0.00 -ATOM 12266 H1 H2O C4089 15.122 2.223 55.891 0.00 0.00 -ATOM 12267 H2 H2O C4089 13.998 1.058 56.105 0.00 0.00 -ATOM 12268 O1 H2O C4090 44.923 56.395 14.402 0.00 0.00 -ATOM 12269 H1 H2O C4090 44.515 57.248 14.078 0.00 0.00 -ATOM 12270 H2 H2O C4090 45.853 56.314 14.045 0.00 0.00 -ATOM 12271 O1 H2O C4091 40.826 40.597 7.165 0.00 0.00 -ATOM 12272 H1 H2O C4091 40.962 40.452 8.145 0.00 0.00 -ATOM 12273 H2 H2O C4091 41.696 40.482 6.687 0.00 0.00 -ATOM 12274 O1 H2O C4092 14.216 54.450 37.038 0.00 0.00 -ATOM 12275 H1 H2O C4092 14.207 55.183 36.358 0.00 0.00 -ATOM 12276 H2 H2O C4092 15.154 54.296 37.350 0.00 0.00 -ATOM 12277 O1 H2O C4093 26.682 36.387 2.039 0.00 0.00 -ATOM 12278 H1 H2O C4093 27.398 36.983 1.675 0.00 0.00 -ATOM 12279 H2 H2O C4093 27.100 35.650 2.571 0.00 0.00 -ATOM 12280 O1 H2O C4094 26.451 59.240 54.320 0.00 0.00 -ATOM 12281 H1 H2O C4094 27.130 58.712 54.830 0.00 0.00 -ATOM 12282 H2 H2O C4094 25.680 59.457 54.919 0.00 0.00 -ATOM 12283 O1 H2O C4095 38.725 23.530 2.051 0.00 0.00 -ATOM 12284 H1 H2O C4095 38.998 23.695 1.104 0.00 0.00 -ATOM 12285 H2 H2O C4095 38.575 24.405 2.512 0.00 0.00 -ATOM 12286 O1 H2O C4096 48.386 56.895 51.959 0.00 0.00 -ATOM 12287 H1 H2O C4096 48.886 57.722 52.213 0.00 0.00 -ATOM 12288 H2 H2O C4096 47.511 57.147 51.545 0.00 0.00 -ATOM 12289 O1 H2O C4097 37.305 7.316 7.656 0.00 0.00 -ATOM 12290 H1 H2O C4097 38.023 7.155 6.978 0.00 0.00 -ATOM 12291 H2 H2O C4097 37.382 8.251 8.005 0.00 0.00 -ATOM 12292 O1 H2O C4098 17.053 28.674 49.281 0.00 0.00 -ATOM 12293 H1 H2O C4098 17.119 28.079 48.479 0.00 0.00 -ATOM 12294 H2 H2O C4098 16.388 28.292 49.924 0.00 0.00 -ATOM 12295 O1 H2O C4099 51.010 35.724 17.948 0.00 0.00 -ATOM 12296 H1 H2O C4099 51.486 36.515 18.333 0.00 0.00 -ATOM 12297 H2 H2O C4099 51.675 35.105 17.532 0.00 0.00 -ATOM 12298 O1 H2O C4100 6.889 26.027 37.200 0.00 0.00 -ATOM 12299 H1 H2O C4100 7.169 25.082 37.031 0.00 0.00 -ATOM 12300 H2 H2O C4100 6.648 26.463 36.333 0.00 0.00 -ATOM 12301 O1 H2O C4101 28.750 51.108 18.401 0.00 0.00 -ATOM 12302 H1 H2O C4101 29.513 51.419 17.834 0.00 0.00 -ATOM 12303 H2 H2O C4101 27.940 50.980 17.829 0.00 0.00 -ATOM 12304 O1 H2O C4102 5.366 54.677 27.567 0.00 0.00 -ATOM 12305 H1 H2O C4102 4.836 53.958 28.018 0.00 0.00 -ATOM 12306 H2 H2O C4102 5.860 55.208 28.257 0.00 0.00 -ATOM 12307 O1 H2O C4103 31.550 37.450 41.861 0.00 0.00 -ATOM 12308 H1 H2O C4103 30.710 37.657 41.359 0.00 0.00 -ATOM 12309 H2 H2O C4103 32.127 38.266 41.896 0.00 0.00 -ATOM 12310 O1 H2O C4104 14.614 26.654 11.504 0.00 0.00 -ATOM 12311 H1 H2O C4104 14.196 26.147 10.750 0.00 0.00 -ATOM 12312 H2 H2O C4104 15.294 27.291 11.140 0.00 0.00 -ATOM 12313 O1 H2O C4105 20.239 60.067 17.317 0.00 0.00 -ATOM 12314 H1 H2O C4105 20.832 59.361 16.932 0.00 0.00 -ATOM 12315 H2 H2O C4105 19.506 59.636 17.843 0.00 0.00 -ATOM 12316 O1 H2O C4106 58.873 55.491 24.824 0.00 0.00 -ATOM 12317 H1 H2O C4106 58.502 56.194 24.218 0.00 0.00 -ATOM 12318 H2 H2O C4106 59.479 54.889 24.305 0.00 0.00 -ATOM 12319 O1 H2O C4107 33.944 36.742 32.204 0.00 0.00 -ATOM 12320 H1 H2O C4107 34.693 37.374 32.403 0.00 0.00 -ATOM 12321 H2 H2O C4107 33.320 36.708 32.986 0.00 0.00 -ATOM 12322 O1 H2O C4108 57.105 5.697 24.808 0.00 0.00 -ATOM 12323 H1 H2O C4108 56.244 6.198 24.716 0.00 0.00 -ATOM 12324 H2 H2O C4108 56.911 4.729 24.968 0.00 0.00 -ATOM 12325 O1 H2O C4109 49.042 1.277 37.256 0.00 0.00 -ATOM 12326 H1 H2O C4109 48.101 1.579 37.408 0.00 0.00 -ATOM 12327 H2 H2O C4109 49.333 1.544 36.336 0.00 0.00 -ATOM 12328 O1 H2O C4110 35.224 53.158 47.472 0.00 0.00 -ATOM 12329 H1 H2O C4110 35.653 52.282 47.692 0.00 0.00 -ATOM 12330 H2 H2O C4110 35.929 53.863 47.391 0.00 0.00 -ATOM 12331 O1 H2O C4111 35.099 33.848 31.756 0.00 0.00 -ATOM 12332 H1 H2O C4111 34.225 33.864 32.243 0.00 0.00 -ATOM 12333 H2 H2O C4111 35.596 33.013 31.991 0.00 0.00 -ATOM 12334 O1 H2O C4112 52.152 47.777 32.027 0.00 0.00 -ATOM 12335 H1 H2O C4112 51.158 47.858 32.092 0.00 0.00 -ATOM 12336 H2 H2O C4112 52.579 48.318 32.752 0.00 0.00 -ATOM 12337 O1 H2O C4113 36.144 22.908 10.374 0.00 0.00 -ATOM 12338 H1 H2O C4113 35.643 23.772 10.444 0.00 0.00 -ATOM 12339 H2 H2O C4113 35.624 22.185 10.830 0.00 0.00 -ATOM 12340 O1 H2O C4114 1.359 24.663 20.878 0.00 0.00 -ATOM 12341 H1 H2O C4114 1.669 25.115 21.715 0.00 0.00 -ATOM 12342 H2 H2O C4114 1.393 23.671 21.004 0.00 0.00 -ATOM 12343 O1 H2O C4115 11.616 35.507 54.832 0.00 0.00 -ATOM 12344 H1 H2O C4115 11.409 35.153 53.919 0.00 0.00 -ATOM 12345 H2 H2O C4115 11.026 35.059 55.504 0.00 0.00 -ATOM 12346 O1 H2O C4116 44.502 49.781 13.690 0.00 0.00 -ATOM 12347 H1 H2O C4116 44.658 50.200 12.795 0.00 0.00 -ATOM 12348 H2 H2O C4116 43.686 49.205 13.650 0.00 0.00 -ATOM 12349 O1 H2O C4117 5.245 22.349 53.190 0.00 0.00 -ATOM 12350 H1 H2O C4117 4.786 21.645 52.647 0.00 0.00 -ATOM 12351 H2 H2O C4117 6.198 22.086 53.340 0.00 0.00 -ATOM 12352 O1 H2O C4118 34.100 22.444 3.298 0.00 0.00 -ATOM 12353 H1 H2O C4118 34.980 22.901 3.173 0.00 0.00 -ATOM 12354 H2 H2O C4118 33.843 22.472 4.264 0.00 0.00 -ATOM 12355 O1 H2O C4119 17.955 11.661 21.668 0.00 0.00 -ATOM 12356 H1 H2O C4119 18.928 11.466 21.544 0.00 0.00 -ATOM 12357 H2 H2O C4119 17.454 11.390 20.846 0.00 0.00 -ATOM 12358 O1 H2O C4120 1.432 31.186 34.522 0.00 0.00 -ATOM 12359 H1 H2O C4120 0.864 31.916 34.142 0.00 0.00 -ATOM 12360 H2 H2O C4120 1.778 30.612 33.780 0.00 0.00 -ATOM 12361 O1 H2O C4121 4.155 5.261 42.752 0.00 0.00 -ATOM 12362 H1 H2O C4121 3.770 6.139 42.464 0.00 0.00 -ATOM 12363 H2 H2O C4121 4.373 5.298 43.728 0.00 0.00 -ATOM 12364 O1 H2O C4122 45.775 27.535 19.681 0.00 0.00 -ATOM 12365 H1 H2O C4122 44.966 27.795 19.153 0.00 0.00 -ATOM 12366 H2 H2O C4122 46.526 28.162 19.471 0.00 0.00 -ATOM 12367 O1 H2O C4123 30.273 32.861 16.238 0.00 0.00 -ATOM 12368 H1 H2O C4123 29.556 33.411 15.809 0.00 0.00 -ATOM 12369 H2 H2O C4123 31.145 33.034 15.779 0.00 0.00 -ATOM 12370 O1 H2O C4124 5.336 30.999 14.890 0.00 0.00 -ATOM 12371 H1 H2O C4124 5.382 30.593 13.977 0.00 0.00 -ATOM 12372 H2 H2O C4124 5.873 30.448 15.528 0.00 0.00 -ATOM 12373 O1 H2O C4125 59.933 22.649 52.885 0.00 0.00 -ATOM 12374 H1 H2O C4125 60.482 21.869 53.185 0.00 0.00 -ATOM 12375 H2 H2O C4125 58.976 22.372 52.801 0.00 0.00 -ATOM 12376 O1 H2O C4126 26.961 39.491 22.645 0.00 0.00 -ATOM 12377 H1 H2O C4126 27.302 40.010 21.860 0.00 0.00 -ATOM 12378 H2 H2O C4126 27.405 38.595 22.669 0.00 0.00 -ATOM 12379 O1 H2O C4127 13.232 37.354 33.970 0.00 0.00 -ATOM 12380 H1 H2O C4127 13.388 36.936 34.865 0.00 0.00 -ATOM 12381 H2 H2O C4127 13.468 38.324 34.009 0.00 0.00 -ATOM 12382 O1 H2O C4128 36.845 58.414 44.271 0.00 0.00 -ATOM 12383 H1 H2O C4128 36.770 59.139 44.957 0.00 0.00 -ATOM 12384 H2 H2O C4128 37.727 58.485 43.806 0.00 0.00 -ATOM 12385 O1 H2O C4129 53.237 47.873 24.974 0.00 0.00 -ATOM 12386 H1 H2O C4129 53.180 48.850 24.765 0.00 0.00 -ATOM 12387 H2 H2O C4129 54.174 47.555 24.831 0.00 0.00 -ATOM 12388 O1 H2O C4130 29.686 40.922 33.737 0.00 0.00 -ATOM 12389 H1 H2O C4130 29.510 41.170 34.690 0.00 0.00 -ATOM 12390 H2 H2O C4130 29.982 41.732 33.231 0.00 0.00 -ATOM 12391 O1 H2O C4131 19.919 12.223 4.570 0.00 0.00 -ATOM 12392 H1 H2O C4131 20.515 11.679 3.979 0.00 0.00 -ATOM 12393 H2 H2O C4131 19.986 13.187 4.315 0.00 0.00 -ATOM 12394 O1 H2O C4132 5.038 44.713 50.662 0.00 0.00 -ATOM 12395 H1 H2O C4132 4.812 45.684 50.578 0.00 0.00 -ATOM 12396 H2 H2O C4132 5.685 44.587 51.415 0.00 0.00 -ATOM 12397 O1 H2O C4133 11.678 53.396 43.665 0.00 0.00 -ATOM 12398 H1 H2O C4133 12.582 53.374 43.238 0.00 0.00 -ATOM 12399 H2 H2O C4133 10.978 53.227 42.972 0.00 0.00 -ATOM 12400 O1 H2O C4134 22.815 35.164 2.518 0.00 0.00 -ATOM 12401 H1 H2O C4134 23.355 34.723 3.236 0.00 0.00 -ATOM 12402 H2 H2O C4134 23.398 35.796 2.006 0.00 0.00 -ATOM 12403 O1 H2O C4135 18.304 45.578 51.876 0.00 0.00 -ATOM 12404 H1 H2O C4135 18.469 44.741 51.354 0.00 0.00 -ATOM 12405 H2 H2O C4135 19.058 46.217 51.729 0.00 0.00 -ATOM 12406 O1 H2O C4136 39.675 22.247 11.809 0.00 0.00 -ATOM 12407 H1 H2O C4136 39.398 21.538 12.457 0.00 0.00 -ATOM 12408 H2 H2O C4136 40.224 22.936 12.283 0.00 0.00 -END diff --git a/simulations/equilb_boxes/3x3x1.0nm_3-layer/gomc/u_n_3769/Output_data_merged.psf b/simulations/equilb_boxes/3x3x1.0nm_3-layer/gomc/u_n_3769/Output_data_merged.psf deleted file mode 100644 index 2d16798..0000000 --- a/simulations/equilb_boxes/3x3x1.0nm_3-layer/gomc/u_n_3769/Output_data_merged.psf +++ /dev/null @@ -1,18634 +0,0 @@ -PSF - - 2 !NTITLE - REMARKS Combined PSF produced by GOMC - REMARKS Contains Geometry data for molecules in ALL boxes in the system - - 15009 !NATOM - 1 TOP 1 TOP C1 2 0.000000 12.0108 0 - 2 TOP 1 TOP C2 2 0.000000 12.0108 0 - 3 TOP 1 TOP C3 2 0.000000 12.0108 0 - 4 TOP 1 TOP C4 2 0.000000 12.0108 0 - 5 TOP 1 TOP C5 2 0.000000 12.0108 0 - 6 TOP 1 TOP C6 2 0.000000 12.0108 0 - 7 TOP 1 TOP C7 2 0.000000 12.0108 0 - 8 TOP 1 TOP C8 2 0.000000 12.0108 0 - 9 TOP 1 TOP C9 2 0.000000 12.0108 0 - 10 TOP 1 TOP CA 2 0.000000 12.0108 0 - 11 TOP 1 TOP CB 2 0.000000 12.0108 0 - 12 TOP 1 TOP CC 2 0.000000 12.0108 0 - 13 TOP 1 TOP CD 2 0.000000 12.0108 0 - 14 TOP 1 TOP CE 2 0.000000 12.0108 0 - 15 TOP 1 TOP CF 2 0.000000 12.0108 0 - 16 TOP 1 TOP CG 2 0.000000 12.0108 0 - 17 TOP 1 TOP CH 2 0.000000 12.0108 0 - 18 TOP 1 TOP CI 2 0.000000 12.0108 0 - 19 TOP 1 TOP CJ 2 0.000000 12.0108 0 - 20 TOP 1 TOP CK 2 0.000000 12.0108 0 - 21 TOP 1 TOP CL 2 0.000000 12.0108 0 - 22 TOP 1 TOP CM 2 0.000000 12.0108 0 - 23 TOP 1 TOP CN 2 0.000000 12.0108 0 - 24 TOP 1 TOP CO 2 0.000000 12.0108 0 - 25 TOP 1 TOP CP 2 0.000000 12.0108 0 - 26 TOP 1 TOP CQ 2 0.000000 12.0108 0 - 27 TOP 1 TOP CR 2 0.000000 12.0108 0 - 28 TOP 1 TOP CS 2 0.000000 12.0108 0 - 29 TOP 1 TOP CT 2 0.000000 12.0108 0 - 30 TOP 1 TOP CU 2 0.000000 12.0108 0 - 31 TOP 1 TOP CV 2 0.000000 12.0108 0 - 32 TOP 1 TOP CW 2 0.000000 12.0108 0 - 33 TOP 1 TOP CX 2 0.000000 12.0108 0 - 34 TOP 1 TOP CY 2 0.000000 12.0108 0 - 35 TOP 1 TOP CZ 2 0.000000 12.0108 0 - 36 TOP 1 TOP Ca 2 0.000000 12.0108 0 - 37 TOP 1 TOP Cb 2 0.000000 12.0108 0 - 38 TOP 1 TOP Cc 2 0.000000 12.0108 0 - 39 TOP 1 TOP Cd 2 0.000000 12.0108 0 - 40 TOP 1 TOP Ce 2 0.000000 12.0108 0 - 41 TOP 1 TOP Cf 2 0.000000 12.0108 0 - 42 TOP 1 TOP Cg 2 0.000000 12.0108 0 - 43 TOP 1 TOP Ch 2 0.000000 12.0108 0 - 44 TOP 1 TOP Ci 2 0.000000 12.0108 0 - 45 TOP 1 TOP Cj 2 0.000000 12.0108 0 - 46 TOP 1 TOP Ck 2 0.000000 12.0108 0 - 47 TOP 1 TOP Cl 2 0.000000 12.0108 0 - 48 TOP 1 TOP Cm 2 0.000000 12.0108 0 - 49 TOP 1 TOP Cn 2 0.000000 12.0108 0 - 50 TOP 1 TOP Co 2 0.000000 12.0108 0 - 51 TOP 1 TOP Cp 2 0.000000 12.0108 0 - 52 TOP 1 TOP Cq 2 0.000000 12.0108 0 - 53 TOP 1 TOP Cr 2 0.000000 12.0108 0 - 54 TOP 1 TOP Cs 2 0.000000 12.0108 0 - 55 TOP 1 TOP Ct 2 0.000000 12.0108 0 - 56 TOP 1 TOP Cu 2 0.000000 12.0108 0 - 57 TOP 1 TOP Cv 2 0.000000 12.0108 0 - 58 TOP 1 TOP Cw 2 0.000000 12.0108 0 - 59 TOP 1 TOP Cx 2 0.000000 12.0108 0 - 60 TOP 1 TOP Cy 2 0.000000 12.0108 0 - 61 TOP 1 TOP Cz 2 0.000000 12.0108 0 - 62 TOP 1 TOP C10 2 0.000000 12.0108 0 - 63 TOP 1 TOP C11 2 0.000000 12.0108 0 - 64 TOP 1 TOP C12 2 0.000000 12.0108 0 - 65 TOP 1 TOP C13 2 0.000000 12.0108 0 - 66 TOP 1 TOP C14 2 0.000000 12.0108 0 - 67 TOP 1 TOP C15 2 0.000000 12.0108 0 - 68 TOP 1 TOP C16 2 0.000000 12.0108 0 - 69 TOP 1 TOP C17 2 0.000000 12.0108 0 - 70 TOP 1 TOP C18 2 0.000000 12.0108 0 - 71 TOP 1 TOP C19 2 0.000000 12.0108 0 - 72 TOP 1 TOP C1A 2 0.000000 12.0108 0 - 73 TOP 1 TOP C1B 2 0.000000 12.0108 0 - 74 TOP 1 TOP C1C 2 0.000000 12.0108 0 - 75 TOP 1 TOP C1D 2 0.000000 12.0108 0 - 76 TOP 1 TOP C1E 2 0.000000 12.0108 0 - 77 TOP 1 TOP C1F 2 0.000000 12.0108 0 - 78 TOP 1 TOP C1G 2 0.000000 12.0108 0 - 79 TOP 1 TOP C1H 2 0.000000 12.0108 0 - 80 TOP 1 TOP C1I 2 0.000000 12.0108 0 - 81 TOP 1 TOP C1J 2 0.000000 12.0108 0 - 82 TOP 1 TOP C1K 2 0.000000 12.0108 0 - 83 TOP 1 TOP C1L 2 0.000000 12.0108 0 - 84 TOP 1 TOP C1M 2 0.000000 12.0108 0 - 85 TOP 1 TOP C1N 2 0.000000 12.0108 0 - 86 TOP 1 TOP C1O 2 0.000000 12.0108 0 - 87 TOP 1 TOP C1P 2 0.000000 12.0108 0 - 88 TOP 1 TOP C1Q 2 0.000000 12.0108 0 - 89 TOP 1 TOP C1R 2 0.000000 12.0108 0 - 90 TOP 1 TOP C1S 2 0.000000 12.0108 0 - 91 TOP 1 TOP C1T 2 0.000000 12.0108 0 - 92 TOP 1 TOP C1U 2 0.000000 12.0108 0 - 93 TOP 1 TOP C1V 2 0.000000 12.0108 0 - 94 TOP 1 TOP C1W 2 0.000000 12.0108 0 - 95 TOP 1 TOP C1X 2 0.000000 12.0108 0 - 96 TOP 1 TOP C1Y 2 0.000000 12.0108 0 - 97 TOP 1 TOP C1Z 2 0.000000 12.0108 0 - 98 TOP 1 TOP C1a 2 0.000000 12.0108 0 - 99 TOP 1 TOP C1b 2 0.000000 12.0108 0 - 100 TOP 1 TOP C1c 2 0.000000 12.0108 0 - 101 TOP 1 TOP C1d 2 0.000000 12.0108 0 - 102 TOP 1 TOP C1e 2 0.000000 12.0108 0 - 103 TOP 1 TOP C1f 2 0.000000 12.0108 0 - 104 TOP 1 TOP C1g 2 0.000000 12.0108 0 - 105 TOP 1 TOP C1h 2 0.000000 12.0108 0 - 106 TOP 1 TOP C1i 2 0.000000 12.0108 0 - 107 TOP 1 TOP C1j 2 0.000000 12.0108 0 - 108 TOP 1 TOP C1k 2 0.000000 12.0108 0 - 109 TOP 1 TOP C1l 2 0.000000 12.0108 0 - 110 TOP 1 TOP C1m 2 0.000000 12.0108 0 - 111 TOP 1 TOP C1n 2 0.000000 12.0108 0 - 112 TOP 1 TOP C1o 2 0.000000 12.0108 0 - 113 TOP 1 TOP C1p 2 0.000000 12.0108 0 - 114 TOP 1 TOP C1q 2 0.000000 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12.0108 0 - 2014 BOT 1 BOT CGE 1 0.000000 12.0108 0 - 2015 BOT 1 BOT CGF 1 0.000000 12.0108 0 - 2016 BOT 1 BOT CGG 1 0.000000 12.0108 0 - 2017 H2O 1 H2O O1 4 -0.847600 15.9994 0 - 2018 H2O 1 H2O H1 3 0.423800 1.0079 0 - 2019 H2O 1 H2O H2 3 0.423800 1.0079 0 - 2020 H2O 2 H2O O1 4 -0.847600 15.9994 0 - 2021 H2O 2 H2O H1 3 0.423800 1.0079 0 - 2022 H2O 2 H2O H2 3 0.423800 1.0079 0 - 2023 H2O 3 H2O O1 4 -0.847600 15.9994 0 - 2024 H2O 3 H2O H1 3 0.423800 1.0079 0 - 2025 H2O 3 H2O H2 3 0.423800 1.0079 0 - 2026 H2O 4 H2O O1 4 -0.847600 15.9994 0 - 2027 H2O 4 H2O H1 3 0.423800 1.0079 0 - 2028 H2O 4 H2O H2 3 0.423800 1.0079 0 - 2029 H2O 5 H2O O1 4 -0.847600 15.9994 0 - 2030 H2O 5 H2O H1 3 0.423800 1.0079 0 - 2031 H2O 5 H2O H2 3 0.423800 1.0079 0 - 2032 H2O 6 H2O O1 4 -0.847600 15.9994 0 - 2033 H2O 6 H2O H1 3 0.423800 1.0079 0 - 2034 H2O 6 H2O H2 3 0.423800 1.0079 0 - 2035 H2O 7 H2O O1 4 -0.847600 15.9994 0 - 2036 H2O 7 H2O H1 3 0.423800 1.0079 0 - 2037 H2O 7 H2O H2 3 0.423800 1.0079 0 - 2038 H2O 8 H2O O1 4 -0.847600 15.9994 0 - 2039 H2O 8 H2O H1 3 0.423800 1.0079 0 - 2040 H2O 8 H2O H2 3 0.423800 1.0079 0 - 2041 H2O 9 H2O O1 4 -0.847600 15.9994 0 - 2042 H2O 9 H2O H1 3 0.423800 1.0079 0 - 2043 H2O 9 H2O H2 3 0.423800 1.0079 0 - 2044 H2O 10 H2O O1 4 -0.847600 15.9994 0 - 2045 H2O 10 H2O H1 3 0.423800 1.0079 0 - 2046 H2O 10 H2O H2 3 0.423800 1.0079 0 - 2047 H2O 11 H2O O1 4 -0.847600 15.9994 0 - 2048 H2O 11 H2O H1 3 0.423800 1.0079 0 - 2049 H2O 11 H2O H2 3 0.423800 1.0079 0 - 2050 H2O 12 H2O O1 4 -0.847600 15.9994 0 - 2051 H2O 12 H2O H1 3 0.423800 1.0079 0 - 2052 H2O 12 H2O H2 3 0.423800 1.0079 0 - 2053 H2O 13 H2O O1 4 -0.847600 15.9994 0 - 2054 H2O 13 H2O H1 3 0.423800 1.0079 0 - 2055 H2O 13 H2O H2 3 0.423800 1.0079 0 - 2056 H2O 14 H2O O1 4 -0.847600 15.9994 0 - 2057 H2O 14 H2O H1 3 0.423800 1.0079 0 - 2058 H2O 14 H2O H2 3 0.423800 1.0079 0 - 2059 H2O 15 H2O O1 4 -0.847600 15.9994 0 - 2060 H2O 15 H2O H1 3 0.423800 1.0079 0 - 2061 H2O 15 H2O H2 3 0.423800 1.0079 0 - 2062 H2O 16 H2O O1 4 -0.847600 15.9994 0 - 2063 H2O 16 H2O H1 3 0.423800 1.0079 0 - 2064 H2O 16 H2O H2 3 0.423800 1.0079 0 - 2065 H2O 17 H2O O1 4 -0.847600 15.9994 0 - 2066 H2O 17 H2O H1 3 0.423800 1.0079 0 - 2067 H2O 17 H2O H2 3 0.423800 1.0079 0 - 2068 H2O 18 H2O O1 4 -0.847600 15.9994 0 - 2069 H2O 18 H2O H1 3 0.423800 1.0079 0 - 2070 H2O 18 H2O H2 3 0.423800 1.0079 0 - 2071 H2O 19 H2O O1 4 -0.847600 15.9994 0 - 2072 H2O 19 H2O H1 3 0.423800 1.0079 0 - 2073 H2O 19 H2O H2 3 0.423800 1.0079 0 - 2074 H2O 20 H2O O1 4 -0.847600 15.9994 0 - 2075 H2O 20 H2O H1 3 0.423800 1.0079 0 - 2076 H2O 20 H2O H2 3 0.423800 1.0079 0 - 2077 H2O 21 H2O O1 4 -0.847600 15.9994 0 - 2078 H2O 21 H2O H1 3 0.423800 1.0079 0 - 2079 H2O 21 H2O H2 3 0.423800 1.0079 0 - 2080 H2O 22 H2O O1 4 -0.847600 15.9994 0 - 2081 H2O 22 H2O H1 3 0.423800 1.0079 0 - 2082 H2O 22 H2O H2 3 0.423800 1.0079 0 - 2083 H2O 23 H2O O1 4 -0.847600 15.9994 0 - 2084 H2O 23 H2O H1 3 0.423800 1.0079 0 - 2085 H2O 23 H2O H2 3 0.423800 1.0079 0 - 2086 H2O 24 H2O O1 4 -0.847600 15.9994 0 - 2087 H2O 24 H2O H1 3 0.423800 1.0079 0 - 2088 H2O 24 H2O H2 3 0.423800 1.0079 0 - 2089 H2O 25 H2O O1 4 -0.847600 15.9994 0 - 2090 H2O 25 H2O H1 3 0.423800 1.0079 0 - 2091 H2O 25 H2O H2 3 0.423800 1.0079 0 - 2092 H2O 26 H2O O1 4 -0.847600 15.9994 0 - 2093 H2O 26 H2O H1 3 0.423800 1.0079 0 - 2094 H2O 26 H2O H2 3 0.423800 1.0079 0 - 2095 H2O 27 H2O O1 4 -0.847600 15.9994 0 - 2096 H2O 27 H2O H1 3 0.423800 1.0079 0 - 2097 H2O 27 H2O H2 3 0.423800 1.0079 0 - 2098 H2O 28 H2O O1 4 -0.847600 15.9994 0 - 2099 H2O 28 H2O H1 3 0.423800 1.0079 0 - 2100 H2O 28 H2O H2 3 0.423800 1.0079 0 - 2101 H2O 29 H2O O1 4 -0.847600 15.9994 0 - 2102 H2O 29 H2O H1 3 0.423800 1.0079 0 - 2103 H2O 29 H2O H2 3 0.423800 1.0079 0 - 2104 H2O 30 H2O O1 4 -0.847600 15.9994 0 - 2105 H2O 30 H2O H1 3 0.423800 1.0079 0 - 2106 H2O 30 H2O H2 3 0.423800 1.0079 0 - 2107 H2O 31 H2O O1 4 -0.847600 15.9994 0 - 2108 H2O 31 H2O H1 3 0.423800 1.0079 0 - 2109 H2O 31 H2O H2 3 0.423800 1.0079 0 - 2110 H2O 32 H2O O1 4 -0.847600 15.9994 0 - 2111 H2O 32 H2O H1 3 0.423800 1.0079 0 - 2112 H2O 32 H2O H2 3 0.423800 1.0079 0 - 2113 H2O 33 H2O O1 4 -0.847600 15.9994 0 - 2114 H2O 33 H2O H1 3 0.423800 1.0079 0 - 2115 H2O 33 H2O H2 3 0.423800 1.0079 0 - 2116 H2O 34 H2O O1 4 -0.847600 15.9994 0 - 2117 H2O 34 H2O H1 3 0.423800 1.0079 0 - 2118 H2O 34 H2O H2 3 0.423800 1.0079 0 - 2119 H2O 35 H2O O1 4 -0.847600 15.9994 0 - 2120 H2O 35 H2O H1 3 0.423800 1.0079 0 - 2121 H2O 35 H2O H2 3 0.423800 1.0079 0 - 2122 H2O 36 H2O O1 4 -0.847600 15.9994 0 - 2123 H2O 36 H2O H1 3 0.423800 1.0079 0 - 2124 H2O 36 H2O H2 3 0.423800 1.0079 0 - 2125 H2O 37 H2O O1 4 -0.847600 15.9994 0 - 2126 H2O 37 H2O H1 3 0.423800 1.0079 0 - 2127 H2O 37 H2O H2 3 0.423800 1.0079 0 - 2128 H2O 38 H2O O1 4 -0.847600 15.9994 0 - 2129 H2O 38 H2O H1 3 0.423800 1.0079 0 - 2130 H2O 38 H2O H2 3 0.423800 1.0079 0 - 2131 H2O 39 H2O O1 4 -0.847600 15.9994 0 - 2132 H2O 39 H2O H1 3 0.423800 1.0079 0 - 2133 H2O 39 H2O H2 3 0.423800 1.0079 0 - 2134 H2O 40 H2O O1 4 -0.847600 15.9994 0 - 2135 H2O 40 H2O H1 3 0.423800 1.0079 0 - 2136 H2O 40 H2O H2 3 0.423800 1.0079 0 - 2137 H2O 41 H2O O1 4 -0.847600 15.9994 0 - 2138 H2O 41 H2O H1 3 0.423800 1.0079 0 - 2139 H2O 41 H2O H2 3 0.423800 1.0079 0 - 2140 H2O 42 H2O O1 4 -0.847600 15.9994 0 - 2141 H2O 42 H2O H1 3 0.423800 1.0079 0 - 2142 H2O 42 H2O H2 3 0.423800 1.0079 0 - 2143 H2O 43 H2O O1 4 -0.847600 15.9994 0 - 2144 H2O 43 H2O H1 3 0.423800 1.0079 0 - 2145 H2O 43 H2O H2 3 0.423800 1.0079 0 - 2146 H2O 44 H2O O1 4 -0.847600 15.9994 0 - 2147 H2O 44 H2O H1 3 0.423800 1.0079 0 - 2148 H2O 44 H2O H2 3 0.423800 1.0079 0 - 2149 H2O 45 H2O O1 4 -0.847600 15.9994 0 - 2150 H2O 45 H2O H1 3 0.423800 1.0079 0 - 2151 H2O 45 H2O H2 3 0.423800 1.0079 0 - 2152 H2O 46 H2O O1 4 -0.847600 15.9994 0 - 2153 H2O 46 H2O H1 3 0.423800 1.0079 0 - 2154 H2O 46 H2O H2 3 0.423800 1.0079 0 - 2155 H2O 47 H2O O1 4 -0.847600 15.9994 0 - 2156 H2O 47 H2O H1 3 0.423800 1.0079 0 - 2157 H2O 47 H2O H2 3 0.423800 1.0079 0 - 2158 H2O 48 H2O O1 4 -0.847600 15.9994 0 - 2159 H2O 48 H2O H1 3 0.423800 1.0079 0 - 2160 H2O 48 H2O H2 3 0.423800 1.0079 0 - 2161 H2O 49 H2O O1 4 -0.847600 15.9994 0 - 2162 H2O 49 H2O H1 3 0.423800 1.0079 0 - 2163 H2O 49 H2O H2 3 0.423800 1.0079 0 - 2164 H2O 50 H2O O1 4 -0.847600 15.9994 0 - 2165 H2O 50 H2O H1 3 0.423800 1.0079 0 - 2166 H2O 50 H2O H2 3 0.423800 1.0079 0 - 2167 H2O 51 H2O O1 4 -0.847600 15.9994 0 - 2168 H2O 51 H2O H1 3 0.423800 1.0079 0 - 2169 H2O 51 H2O H2 3 0.423800 1.0079 0 - 2170 H2O 52 H2O O1 4 -0.847600 15.9994 0 - 2171 H2O 52 H2O H1 3 0.423800 1.0079 0 - 2172 H2O 52 H2O H2 3 0.423800 1.0079 0 - 2173 H2O 53 H2O O1 4 -0.847600 15.9994 0 - 2174 H2O 53 H2O H1 3 0.423800 1.0079 0 - 2175 H2O 53 H2O H2 3 0.423800 1.0079 0 - 2176 H2O 54 H2O O1 4 -0.847600 15.9994 0 - 2177 H2O 54 H2O H1 3 0.423800 1.0079 0 - 2178 H2O 54 H2O H2 3 0.423800 1.0079 0 - 2179 H2O 55 H2O O1 4 -0.847600 15.9994 0 - 2180 H2O 55 H2O H1 3 0.423800 1.0079 0 - 2181 H2O 55 H2O H2 3 0.423800 1.0079 0 - 2182 H2O 56 H2O O1 4 -0.847600 15.9994 0 - 2183 H2O 56 H2O H1 3 0.423800 1.0079 0 - 2184 H2O 56 H2O H2 3 0.423800 1.0079 0 - 2185 H2O 57 H2O O1 4 -0.847600 15.9994 0 - 2186 H2O 57 H2O H1 3 0.423800 1.0079 0 - 2187 H2O 57 H2O H2 3 0.423800 1.0079 0 - 2188 H2O 58 H2O O1 4 -0.847600 15.9994 0 - 2189 H2O 58 H2O H1 3 0.423800 1.0079 0 - 2190 H2O 58 H2O H2 3 0.423800 1.0079 0 - 2191 H2O 59 H2O O1 4 -0.847600 15.9994 0 - 2192 H2O 59 H2O H1 3 0.423800 1.0079 0 - 2193 H2O 59 H2O H2 3 0.423800 1.0079 0 - 2194 H2O 60 H2O O1 4 -0.847600 15.9994 0 - 2195 H2O 60 H2O H1 3 0.423800 1.0079 0 - 2196 H2O 60 H2O H2 3 0.423800 1.0079 0 - 2197 H2O 61 H2O O1 4 -0.847600 15.9994 0 - 2198 H2O 61 H2O H1 3 0.423800 1.0079 0 - 2199 H2O 61 H2O H2 3 0.423800 1.0079 0 - 2200 H2O 62 H2O O1 4 -0.847600 15.9994 0 - 2201 H2O 62 H2O H1 3 0.423800 1.0079 0 - 2202 H2O 62 H2O H2 3 0.423800 1.0079 0 - 2203 H2O 63 H2O O1 4 -0.847600 15.9994 0 - 2204 H2O 63 H2O H1 3 0.423800 1.0079 0 - 2205 H2O 63 H2O H2 3 0.423800 1.0079 0 - 2206 H2O 64 H2O O1 4 -0.847600 15.9994 0 - 2207 H2O 64 H2O H1 3 0.423800 1.0079 0 - 2208 H2O 64 H2O H2 3 0.423800 1.0079 0 - 2209 H2O 65 H2O O1 4 -0.847600 15.9994 0 - 2210 H2O 65 H2O H1 3 0.423800 1.0079 0 - 2211 H2O 65 H2O H2 3 0.423800 1.0079 0 - 2212 H2O 66 H2O O1 4 -0.847600 15.9994 0 - 2213 H2O 66 H2O H1 3 0.423800 1.0079 0 - 2214 H2O 66 H2O H2 3 0.423800 1.0079 0 - 2215 H2O 67 H2O O1 4 -0.847600 15.9994 0 - 2216 H2O 67 H2O H1 3 0.423800 1.0079 0 - 2217 H2O 67 H2O H2 3 0.423800 1.0079 0 - 2218 H2O 68 H2O O1 4 -0.847600 15.9994 0 - 2219 H2O 68 H2O H1 3 0.423800 1.0079 0 - 2220 H2O 68 H2O H2 3 0.423800 1.0079 0 - 2221 H2O 69 H2O O1 4 -0.847600 15.9994 0 - 2222 H2O 69 H2O H1 3 0.423800 1.0079 0 - 2223 H2O 69 H2O H2 3 0.423800 1.0079 0 - 2224 H2O 70 H2O O1 4 -0.847600 15.9994 0 - 2225 H2O 70 H2O H1 3 0.423800 1.0079 0 - 2226 H2O 70 H2O H2 3 0.423800 1.0079 0 - 2227 H2O 71 H2O O1 4 -0.847600 15.9994 0 - 2228 H2O 71 H2O H1 3 0.423800 1.0079 0 - 2229 H2O 71 H2O H2 3 0.423800 1.0079 0 - 2230 H2O 72 H2O O1 4 -0.847600 15.9994 0 - 2231 H2O 72 H2O H1 3 0.423800 1.0079 0 - 2232 H2O 72 H2O H2 3 0.423800 1.0079 0 - 2233 H2O 73 H2O O1 4 -0.847600 15.9994 0 - 2234 H2O 73 H2O H1 3 0.423800 1.0079 0 - 2235 H2O 73 H2O H2 3 0.423800 1.0079 0 - 2236 H2O 74 H2O O1 4 -0.847600 15.9994 0 - 2237 H2O 74 H2O H1 3 0.423800 1.0079 0 - 2238 H2O 74 H2O H2 3 0.423800 1.0079 0 - 2239 H2O 75 H2O O1 4 -0.847600 15.9994 0 - 2240 H2O 75 H2O H1 3 0.423800 1.0079 0 - 2241 H2O 75 H2O H2 3 0.423800 1.0079 0 - 2242 H2O 76 H2O O1 4 -0.847600 15.9994 0 - 2243 H2O 76 H2O H1 3 0.423800 1.0079 0 - 2244 H2O 76 H2O H2 3 0.423800 1.0079 0 - 2245 H2O 77 H2O O1 4 -0.847600 15.9994 0 - 2246 H2O 77 H2O H1 3 0.423800 1.0079 0 - 2247 H2O 77 H2O H2 3 0.423800 1.0079 0 - 2248 H2O 78 H2O O1 4 -0.847600 15.9994 0 - 2249 H2O 78 H2O H1 3 0.423800 1.0079 0 - 2250 H2O 78 H2O H2 3 0.423800 1.0079 0 - 2251 H2O 79 H2O O1 4 -0.847600 15.9994 0 - 2252 H2O 79 H2O H1 3 0.423800 1.0079 0 - 2253 H2O 79 H2O H2 3 0.423800 1.0079 0 - 2254 H2O 80 H2O O1 4 -0.847600 15.9994 0 - 2255 H2O 80 H2O H1 3 0.423800 1.0079 0 - 2256 H2O 80 H2O H2 3 0.423800 1.0079 0 - 2257 H2O 81 H2O O1 4 -0.847600 15.9994 0 - 2258 H2O 81 H2O H1 3 0.423800 1.0079 0 - 2259 H2O 81 H2O H2 3 0.423800 1.0079 0 - 2260 H2O 82 H2O O1 4 -0.847600 15.9994 0 - 2261 H2O 82 H2O H1 3 0.423800 1.0079 0 - 2262 H2O 82 H2O H2 3 0.423800 1.0079 0 - 2263 H2O 83 H2O O1 4 -0.847600 15.9994 0 - 2264 H2O 83 H2O H1 3 0.423800 1.0079 0 - 2265 H2O 83 H2O H2 3 0.423800 1.0079 0 - 2266 H2O 84 H2O O1 4 -0.847600 15.9994 0 - 2267 H2O 84 H2O H1 3 0.423800 1.0079 0 - 2268 H2O 84 H2O H2 3 0.423800 1.0079 0 - 2269 H2O 85 H2O O1 4 -0.847600 15.9994 0 - 2270 H2O 85 H2O H1 3 0.423800 1.0079 0 - 2271 H2O 85 H2O H2 3 0.423800 1.0079 0 - 2272 H2O 86 H2O O1 4 -0.847600 15.9994 0 - 2273 H2O 86 H2O H1 3 0.423800 1.0079 0 - 2274 H2O 86 H2O H2 3 0.423800 1.0079 0 - 2275 H2O 87 H2O O1 4 -0.847600 15.9994 0 - 2276 H2O 87 H2O H1 3 0.423800 1.0079 0 - 2277 H2O 87 H2O H2 3 0.423800 1.0079 0 - 2278 H2O 88 H2O O1 4 -0.847600 15.9994 0 - 2279 H2O 88 H2O H1 3 0.423800 1.0079 0 - 2280 H2O 88 H2O H2 3 0.423800 1.0079 0 - 2281 H2O 89 H2O O1 4 -0.847600 15.9994 0 - 2282 H2O 89 H2O H1 3 0.423800 1.0079 0 - 2283 H2O 89 H2O H2 3 0.423800 1.0079 0 - 2284 H2O 90 H2O O1 4 -0.847600 15.9994 0 - 2285 H2O 90 H2O H1 3 0.423800 1.0079 0 - 2286 H2O 90 H2O H2 3 0.423800 1.0079 0 - 2287 H2O 91 H2O O1 4 -0.847600 15.9994 0 - 2288 H2O 91 H2O H1 3 0.423800 1.0079 0 - 2289 H2O 91 H2O H2 3 0.423800 1.0079 0 - 2290 H2O 92 H2O O1 4 -0.847600 15.9994 0 - 2291 H2O 92 H2O H1 3 0.423800 1.0079 0 - 2292 H2O 92 H2O H2 3 0.423800 1.0079 0 - 2293 H2O 93 H2O O1 4 -0.847600 15.9994 0 - 2294 H2O 93 H2O H1 3 0.423800 1.0079 0 - 2295 H2O 93 H2O H2 3 0.423800 1.0079 0 - 2296 H2O 94 H2O O1 4 -0.847600 15.9994 0 - 2297 H2O 94 H2O H1 3 0.423800 1.0079 0 - 2298 H2O 94 H2O H2 3 0.423800 1.0079 0 - 2299 H2O 95 H2O O1 4 -0.847600 15.9994 0 - 2300 H2O 95 H2O H1 3 0.423800 1.0079 0 - 2301 H2O 95 H2O H2 3 0.423800 1.0079 0 - 2302 H2O 96 H2O O1 4 -0.847600 15.9994 0 - 2303 H2O 96 H2O H1 3 0.423800 1.0079 0 - 2304 H2O 96 H2O H2 3 0.423800 1.0079 0 - 2305 H2O 97 H2O O1 4 -0.847600 15.9994 0 - 2306 H2O 97 H2O H1 3 0.423800 1.0079 0 - 2307 H2O 97 H2O H2 3 0.423800 1.0079 0 - 2308 H2O 98 H2O O1 4 -0.847600 15.9994 0 - 2309 H2O 98 H2O H1 3 0.423800 1.0079 0 - 2310 H2O 98 H2O H2 3 0.423800 1.0079 0 - 2311 H2O 99 H2O O1 4 -0.847600 15.9994 0 - 2312 H2O 99 H2O H1 3 0.423800 1.0079 0 - 2313 H2O 99 H2O H2 3 0.423800 1.0079 0 - 2314 H2O 100 H2O O1 4 -0.847600 15.9994 0 - 2315 H2O 100 H2O H1 3 0.423800 1.0079 0 - 2316 H2O 100 H2O H2 3 0.423800 1.0079 0 - 2317 H2O 101 H2O O1 4 -0.847600 15.9994 0 - 2318 H2O 101 H2O H1 3 0.423800 1.0079 0 - 2319 H2O 101 H2O H2 3 0.423800 1.0079 0 - 2320 H2O 102 H2O O1 4 -0.847600 15.9994 0 - 2321 H2O 102 H2O H1 3 0.423800 1.0079 0 - 2322 H2O 102 H2O H2 3 0.423800 1.0079 0 - 2323 H2O 103 H2O O1 4 -0.847600 15.9994 0 - 2324 H2O 103 H2O H1 3 0.423800 1.0079 0 - 2325 H2O 103 H2O H2 3 0.423800 1.0079 0 - 2326 H2O 104 H2O O1 4 -0.847600 15.9994 0 - 2327 H2O 104 H2O H1 3 0.423800 1.0079 0 - 2328 H2O 104 H2O H2 3 0.423800 1.0079 0 - 2329 H2O 105 H2O O1 4 -0.847600 15.9994 0 - 2330 H2O 105 H2O H1 3 0.423800 1.0079 0 - 2331 H2O 105 H2O H2 3 0.423800 1.0079 0 - 2332 H2O 106 H2O O1 4 -0.847600 15.9994 0 - 2333 H2O 106 H2O H1 3 0.423800 1.0079 0 - 2334 H2O 106 H2O H2 3 0.423800 1.0079 0 - 2335 H2O 107 H2O O1 4 -0.847600 15.9994 0 - 2336 H2O 107 H2O H1 3 0.423800 1.0079 0 - 2337 H2O 107 H2O H2 3 0.423800 1.0079 0 - 2338 H2O 108 H2O O1 4 -0.847600 15.9994 0 - 2339 H2O 108 H2O H1 3 0.423800 1.0079 0 - 2340 H2O 108 H2O H2 3 0.423800 1.0079 0 - 2341 H2O 109 H2O O1 4 -0.847600 15.9994 0 - 2342 H2O 109 H2O H1 3 0.423800 1.0079 0 - 2343 H2O 109 H2O H2 3 0.423800 1.0079 0 - 2344 H2O 110 H2O O1 4 -0.847600 15.9994 0 - 2345 H2O 110 H2O H1 3 0.423800 1.0079 0 - 2346 H2O 110 H2O H2 3 0.423800 1.0079 0 - 2347 H2O 111 H2O O1 4 -0.847600 15.9994 0 - 2348 H2O 111 H2O H1 3 0.423800 1.0079 0 - 2349 H2O 111 H2O H2 3 0.423800 1.0079 0 - 2350 H2O 112 H2O O1 4 -0.847600 15.9994 0 - 2351 H2O 112 H2O H1 3 0.423800 1.0079 0 - 2352 H2O 112 H2O H2 3 0.423800 1.0079 0 - 2353 H2O 113 H2O O1 4 -0.847600 15.9994 0 - 2354 H2O 113 H2O H1 3 0.423800 1.0079 0 - 2355 H2O 113 H2O H2 3 0.423800 1.0079 0 - 2356 H2O 114 H2O O1 4 -0.847600 15.9994 0 - 2357 H2O 114 H2O H1 3 0.423800 1.0079 0 - 2358 H2O 114 H2O H2 3 0.423800 1.0079 0 - 2359 H2O 115 H2O O1 4 -0.847600 15.9994 0 - 2360 H2O 115 H2O H1 3 0.423800 1.0079 0 - 2361 H2O 115 H2O H2 3 0.423800 1.0079 0 - 2362 H2O 116 H2O O1 4 -0.847600 15.9994 0 - 2363 H2O 116 H2O H1 3 0.423800 1.0079 0 - 2364 H2O 116 H2O H2 3 0.423800 1.0079 0 - 2365 H2O 117 H2O O1 4 -0.847600 15.9994 0 - 2366 H2O 117 H2O H1 3 0.423800 1.0079 0 - 2367 H2O 117 H2O H2 3 0.423800 1.0079 0 - 2368 H2O 118 H2O O1 4 -0.847600 15.9994 0 - 2369 H2O 118 H2O H1 3 0.423800 1.0079 0 - 2370 H2O 118 H2O H2 3 0.423800 1.0079 0 - 2371 H2O 119 H2O O1 4 -0.847600 15.9994 0 - 2372 H2O 119 H2O H1 3 0.423800 1.0079 0 - 2373 H2O 119 H2O H2 3 0.423800 1.0079 0 - 2374 H2O 120 H2O O1 4 -0.847600 15.9994 0 - 2375 H2O 120 H2O H1 3 0.423800 1.0079 0 - 2376 H2O 120 H2O H2 3 0.423800 1.0079 0 - 2377 H2O 121 H2O O1 4 -0.847600 15.9994 0 - 2378 H2O 121 H2O H1 3 0.423800 1.0079 0 - 2379 H2O 121 H2O H2 3 0.423800 1.0079 0 - 2380 H2O 122 H2O O1 4 -0.847600 15.9994 0 - 2381 H2O 122 H2O H1 3 0.423800 1.0079 0 - 2382 H2O 122 H2O H2 3 0.423800 1.0079 0 - 2383 H2O 123 H2O O1 4 -0.847600 15.9994 0 - 2384 H2O 123 H2O H1 3 0.423800 1.0079 0 - 2385 H2O 123 H2O H2 3 0.423800 1.0079 0 - 2386 H2O 124 H2O O1 4 -0.847600 15.9994 0 - 2387 H2O 124 H2O H1 3 0.423800 1.0079 0 - 2388 H2O 124 H2O H2 3 0.423800 1.0079 0 - 2389 H2O 125 H2O O1 4 -0.847600 15.9994 0 - 2390 H2O 125 H2O H1 3 0.423800 1.0079 0 - 2391 H2O 125 H2O H2 3 0.423800 1.0079 0 - 2392 H2O 126 H2O O1 4 -0.847600 15.9994 0 - 2393 H2O 126 H2O H1 3 0.423800 1.0079 0 - 2394 H2O 126 H2O H2 3 0.423800 1.0079 0 - 2395 H2O 127 H2O O1 4 -0.847600 15.9994 0 - 2396 H2O 127 H2O H1 3 0.423800 1.0079 0 - 2397 H2O 127 H2O H2 3 0.423800 1.0079 0 - 2398 H2O 128 H2O O1 4 -0.847600 15.9994 0 - 2399 H2O 128 H2O H1 3 0.423800 1.0079 0 - 2400 H2O 128 H2O H2 3 0.423800 1.0079 0 - 2401 H2O 129 H2O O1 4 -0.847600 15.9994 0 - 2402 H2O 129 H2O H1 3 0.423800 1.0079 0 - 2403 H2O 129 H2O H2 3 0.423800 1.0079 0 - 2404 H2O 130 H2O O1 4 -0.847600 15.9994 0 - 2405 H2O 130 H2O H1 3 0.423800 1.0079 0 - 2406 H2O 130 H2O H2 3 0.423800 1.0079 0 - 2407 H2O 131 H2O O1 4 -0.847600 15.9994 0 - 2408 H2O 131 H2O H1 3 0.423800 1.0079 0 - 2409 H2O 131 H2O H2 3 0.423800 1.0079 0 - 2410 H2O 132 H2O O1 4 -0.847600 15.9994 0 - 2411 H2O 132 H2O H1 3 0.423800 1.0079 0 - 2412 H2O 132 H2O H2 3 0.423800 1.0079 0 - 2413 H2O 133 H2O O1 4 -0.847600 15.9994 0 - 2414 H2O 133 H2O H1 3 0.423800 1.0079 0 - 2415 H2O 133 H2O H2 3 0.423800 1.0079 0 - 2416 H2O 134 H2O O1 4 -0.847600 15.9994 0 - 2417 H2O 134 H2O H1 3 0.423800 1.0079 0 - 2418 H2O 134 H2O H2 3 0.423800 1.0079 0 - 2419 H2O 135 H2O O1 4 -0.847600 15.9994 0 - 2420 H2O 135 H2O H1 3 0.423800 1.0079 0 - 2421 H2O 135 H2O H2 3 0.423800 1.0079 0 - 2422 H2O 136 H2O O1 4 -0.847600 15.9994 0 - 2423 H2O 136 H2O H1 3 0.423800 1.0079 0 - 2424 H2O 136 H2O H2 3 0.423800 1.0079 0 - 2425 H2O 137 H2O O1 4 -0.847600 15.9994 0 - 2426 H2O 137 H2O H1 3 0.423800 1.0079 0 - 2427 H2O 137 H2O H2 3 0.423800 1.0079 0 - 2428 H2O 138 H2O O1 4 -0.847600 15.9994 0 - 2429 H2O 138 H2O H1 3 0.423800 1.0079 0 - 2430 H2O 138 H2O H2 3 0.423800 1.0079 0 - 2431 H2O 139 H2O O1 4 -0.847600 15.9994 0 - 2432 H2O 139 H2O H1 3 0.423800 1.0079 0 - 2433 H2O 139 H2O H2 3 0.423800 1.0079 0 - 2434 H2O 140 H2O O1 4 -0.847600 15.9994 0 - 2435 H2O 140 H2O H1 3 0.423800 1.0079 0 - 2436 H2O 140 H2O H2 3 0.423800 1.0079 0 - 2437 H2O 141 H2O O1 4 -0.847600 15.9994 0 - 2438 H2O 141 H2O H1 3 0.423800 1.0079 0 - 2439 H2O 141 H2O H2 3 0.423800 1.0079 0 - 2440 H2O 142 H2O O1 4 -0.847600 15.9994 0 - 2441 H2O 142 H2O H1 3 0.423800 1.0079 0 - 2442 H2O 142 H2O H2 3 0.423800 1.0079 0 - 2443 H2O 143 H2O O1 4 -0.847600 15.9994 0 - 2444 H2O 143 H2O H1 3 0.423800 1.0079 0 - 2445 H2O 143 H2O H2 3 0.423800 1.0079 0 - 2446 H2O 144 H2O O1 4 -0.847600 15.9994 0 - 2447 H2O 144 H2O H1 3 0.423800 1.0079 0 - 2448 H2O 144 H2O H2 3 0.423800 1.0079 0 - 2449 H2O 145 H2O O1 4 -0.847600 15.9994 0 - 2450 H2O 145 H2O H1 3 0.423800 1.0079 0 - 2451 H2O 145 H2O H2 3 0.423800 1.0079 0 - 2452 H2O 146 H2O O1 4 -0.847600 15.9994 0 - 2453 H2O 146 H2O H1 3 0.423800 1.0079 0 - 2454 H2O 146 H2O H2 3 0.423800 1.0079 0 - 2455 H2O 147 H2O O1 4 -0.847600 15.9994 0 - 2456 H2O 147 H2O H1 3 0.423800 1.0079 0 - 2457 H2O 147 H2O H2 3 0.423800 1.0079 0 - 2458 H2O 148 H2O O1 4 -0.847600 15.9994 0 - 2459 H2O 148 H2O H1 3 0.423800 1.0079 0 - 2460 H2O 148 H2O H2 3 0.423800 1.0079 0 - 2461 H2O 149 H2O O1 4 -0.847600 15.9994 0 - 2462 H2O 149 H2O H1 3 0.423800 1.0079 0 - 2463 H2O 149 H2O H2 3 0.423800 1.0079 0 - 2464 H2O 150 H2O O1 4 -0.847600 15.9994 0 - 2465 H2O 150 H2O H1 3 0.423800 1.0079 0 - 2466 H2O 150 H2O H2 3 0.423800 1.0079 0 - 2467 H2O 151 H2O O1 4 -0.847600 15.9994 0 - 2468 H2O 151 H2O H1 3 0.423800 1.0079 0 - 2469 H2O 151 H2O H2 3 0.423800 1.0079 0 - 2470 H2O 152 H2O O1 4 -0.847600 15.9994 0 - 2471 H2O 152 H2O H1 3 0.423800 1.0079 0 - 2472 H2O 152 H2O H2 3 0.423800 1.0079 0 - 2473 H2O 153 H2O O1 4 -0.847600 15.9994 0 - 2474 H2O 153 H2O H1 3 0.423800 1.0079 0 - 2475 H2O 153 H2O H2 3 0.423800 1.0079 0 - 2476 H2O 154 H2O O1 4 -0.847600 15.9994 0 - 2477 H2O 154 H2O H1 3 0.423800 1.0079 0 - 2478 H2O 154 H2O H2 3 0.423800 1.0079 0 - 2479 H2O 155 H2O O1 4 -0.847600 15.9994 0 - 2480 H2O 155 H2O H1 3 0.423800 1.0079 0 - 2481 H2O 155 H2O H2 3 0.423800 1.0079 0 - 2482 H2O 156 H2O O1 4 -0.847600 15.9994 0 - 2483 H2O 156 H2O H1 3 0.423800 1.0079 0 - 2484 H2O 156 H2O H2 3 0.423800 1.0079 0 - 2485 H2O 157 H2O O1 4 -0.847600 15.9994 0 - 2486 H2O 157 H2O H1 3 0.423800 1.0079 0 - 2487 H2O 157 H2O H2 3 0.423800 1.0079 0 - 2488 H2O 158 H2O O1 4 -0.847600 15.9994 0 - 2489 H2O 158 H2O H1 3 0.423800 1.0079 0 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H1 3 0.423800 1.0079 0 - 2514 H2O 166 H2O H2 3 0.423800 1.0079 0 - 2515 H2O 167 H2O O1 4 -0.847600 15.9994 0 - 2516 H2O 167 H2O H1 3 0.423800 1.0079 0 - 2517 H2O 167 H2O H2 3 0.423800 1.0079 0 - 2518 H2O 168 H2O O1 4 -0.847600 15.9994 0 - 2519 H2O 168 H2O H1 3 0.423800 1.0079 0 - 2520 H2O 168 H2O H2 3 0.423800 1.0079 0 - 2521 H2O 169 H2O O1 4 -0.847600 15.9994 0 - 2522 H2O 169 H2O H1 3 0.423800 1.0079 0 - 2523 H2O 169 H2O H2 3 0.423800 1.0079 0 - 2524 H2O 170 H2O O1 4 -0.847600 15.9994 0 - 2525 H2O 170 H2O H1 3 0.423800 1.0079 0 - 2526 H2O 170 H2O H2 3 0.423800 1.0079 0 - 2527 H2O 171 H2O O1 4 -0.847600 15.9994 0 - 2528 H2O 171 H2O H1 3 0.423800 1.0079 0 - 2529 H2O 171 H2O H2 3 0.423800 1.0079 0 - 2530 H2O 172 H2O O1 4 -0.847600 15.9994 0 - 2531 H2O 172 H2O H1 3 0.423800 1.0079 0 - 2532 H2O 172 H2O H2 3 0.423800 1.0079 0 - 2533 H2O 173 H2O O1 4 -0.847600 15.9994 0 - 2534 H2O 173 H2O H1 3 0.423800 1.0079 0 - 2535 H2O 173 H2O H2 3 0.423800 1.0079 0 - 2536 H2O 174 H2O O1 4 -0.847600 15.9994 0 - 2537 H2O 174 H2O H1 3 0.423800 1.0079 0 - 2538 H2O 174 H2O H2 3 0.423800 1.0079 0 - 2539 H2O 175 H2O O1 4 -0.847600 15.9994 0 - 2540 H2O 175 H2O H1 3 0.423800 1.0079 0 - 2541 H2O 175 H2O H2 3 0.423800 1.0079 0 - 2542 H2O 176 H2O O1 4 -0.847600 15.9994 0 - 2543 H2O 176 H2O H1 3 0.423800 1.0079 0 - 2544 H2O 176 H2O H2 3 0.423800 1.0079 0 - 2545 H2O 177 H2O O1 4 -0.847600 15.9994 0 - 2546 H2O 177 H2O H1 3 0.423800 1.0079 0 - 2547 H2O 177 H2O H2 3 0.423800 1.0079 0 - 2548 H2O 178 H2O O1 4 -0.847600 15.9994 0 - 2549 H2O 178 H2O H1 3 0.423800 1.0079 0 - 2550 H2O 178 H2O H2 3 0.423800 1.0079 0 - 2551 H2O 179 H2O O1 4 -0.847600 15.9994 0 - 2552 H2O 179 H2O H1 3 0.423800 1.0079 0 - 2553 H2O 179 H2O H2 3 0.423800 1.0079 0 - 2554 H2O 180 H2O O1 4 -0.847600 15.9994 0 - 2555 H2O 180 H2O H1 3 0.423800 1.0079 0 - 2556 H2O 180 H2O H2 3 0.423800 1.0079 0 - 2557 H2O 181 H2O O1 4 -0.847600 15.9994 0 - 2558 H2O 181 H2O H1 3 0.423800 1.0079 0 - 2559 H2O 181 H2O H2 3 0.423800 1.0079 0 - 2560 H2O 182 H2O O1 4 -0.847600 15.9994 0 - 2561 H2O 182 H2O H1 3 0.423800 1.0079 0 - 2562 H2O 182 H2O H2 3 0.423800 1.0079 0 - 2563 H2O 183 H2O O1 4 -0.847600 15.9994 0 - 2564 H2O 183 H2O H1 3 0.423800 1.0079 0 - 2565 H2O 183 H2O H2 3 0.423800 1.0079 0 - 2566 H2O 184 H2O O1 4 -0.847600 15.9994 0 - 2567 H2O 184 H2O H1 3 0.423800 1.0079 0 - 2568 H2O 184 H2O H2 3 0.423800 1.0079 0 - 2569 H2O 185 H2O O1 4 -0.847600 15.9994 0 - 2570 H2O 185 H2O H1 3 0.423800 1.0079 0 - 2571 H2O 185 H2O H2 3 0.423800 1.0079 0 - 2572 H2O 186 H2O O1 4 -0.847600 15.9994 0 - 2573 H2O 186 H2O H1 3 0.423800 1.0079 0 - 2574 H2O 186 H2O H2 3 0.423800 1.0079 0 - 2575 H2O 187 H2O O1 4 -0.847600 15.9994 0 - 2576 H2O 187 H2O H1 3 0.423800 1.0079 0 - 2577 H2O 187 H2O H2 3 0.423800 1.0079 0 - 2578 H2O 188 H2O O1 4 -0.847600 15.9994 0 - 2579 H2O 188 H2O H1 3 0.423800 1.0079 0 - 2580 H2O 188 H2O H2 3 0.423800 1.0079 0 - 2581 H2O 189 H2O O1 4 -0.847600 15.9994 0 - 2582 H2O 189 H2O H1 3 0.423800 1.0079 0 - 2583 H2O 189 H2O H2 3 0.423800 1.0079 0 - 2584 H2O 190 H2O O1 4 -0.847600 15.9994 0 - 2585 H2O 190 H2O H1 3 0.423800 1.0079 0 - 2586 H2O 190 H2O H2 3 0.423800 1.0079 0 - 2587 H2O 191 H2O O1 4 -0.847600 15.9994 0 - 2588 H2O 191 H2O H1 3 0.423800 1.0079 0 - 2589 H2O 191 H2O H2 3 0.423800 1.0079 0 - 2590 H2O 192 H2O O1 4 -0.847600 15.9994 0 - 2591 H2O 192 H2O H1 3 0.423800 1.0079 0 - 2592 H2O 192 H2O H2 3 0.423800 1.0079 0 - 2593 H2O 193 H2O O1 4 -0.847600 15.9994 0 - 2594 H2O 193 H2O H1 3 0.423800 1.0079 0 - 2595 H2O 193 H2O H2 3 0.423800 1.0079 0 - 2596 H2O 194 H2O O1 4 -0.847600 15.9994 0 - 2597 H2O 194 H2O H1 3 0.423800 1.0079 0 - 2598 H2O 194 H2O H2 3 0.423800 1.0079 0 - 2599 H2O 195 H2O O1 4 -0.847600 15.9994 0 - 2600 H2O 195 H2O H1 3 0.423800 1.0079 0 - 2601 H2O 195 H2O H2 3 0.423800 1.0079 0 - 2602 H2O 196 H2O O1 4 -0.847600 15.9994 0 - 2603 H2O 196 H2O H1 3 0.423800 1.0079 0 - 2604 H2O 196 H2O H2 3 0.423800 1.0079 0 - 2605 H2O 197 H2O O1 4 -0.847600 15.9994 0 - 2606 H2O 197 H2O H1 3 0.423800 1.0079 0 - 2607 H2O 197 H2O H2 3 0.423800 1.0079 0 - 2608 H2O 198 H2O O1 4 -0.847600 15.9994 0 - 2609 H2O 198 H2O H1 3 0.423800 1.0079 0 - 2610 H2O 198 H2O H2 3 0.423800 1.0079 0 - 2611 H2O 199 H2O O1 4 -0.847600 15.9994 0 - 2612 H2O 199 H2O H1 3 0.423800 1.0079 0 - 2613 H2O 199 H2O H2 3 0.423800 1.0079 0 - 2614 H2O 200 H2O O1 4 -0.847600 15.9994 0 - 2615 H2O 200 H2O H1 3 0.423800 1.0079 0 - 2616 H2O 200 H2O H2 3 0.423800 1.0079 0 - 2617 H2O 201 H2O O1 4 -0.847600 15.9994 0 - 2618 H2O 201 H2O H1 3 0.423800 1.0079 0 - 2619 H2O 201 H2O H2 3 0.423800 1.0079 0 - 2620 H2O 202 H2O O1 4 -0.847600 15.9994 0 - 2621 H2O 202 H2O H1 3 0.423800 1.0079 0 - 2622 H2O 202 H2O H2 3 0.423800 1.0079 0 - 2623 H2O 203 H2O O1 4 -0.847600 15.9994 0 - 2624 H2O 203 H2O H1 3 0.423800 1.0079 0 - 2625 H2O 203 H2O H2 3 0.423800 1.0079 0 - 2626 H2O 204 H2O O1 4 -0.847600 15.9994 0 - 2627 H2O 204 H2O H1 3 0.423800 1.0079 0 - 2628 H2O 204 H2O H2 3 0.423800 1.0079 0 - 2629 H2O 205 H2O O1 4 -0.847600 15.9994 0 - 2630 H2O 205 H2O H1 3 0.423800 1.0079 0 - 2631 H2O 205 H2O H2 3 0.423800 1.0079 0 - 2632 H2O 206 H2O O1 4 -0.847600 15.9994 0 - 2633 H2O 206 H2O H1 3 0.423800 1.0079 0 - 2634 H2O 206 H2O H2 3 0.423800 1.0079 0 - 2635 H2O 207 H2O O1 4 -0.847600 15.9994 0 - 2636 H2O 207 H2O H1 3 0.423800 1.0079 0 - 2637 H2O 207 H2O H2 3 0.423800 1.0079 0 - 2638 H2O 208 H2O O1 4 -0.847600 15.9994 0 - 2639 H2O 208 H2O H1 3 0.423800 1.0079 0 - 2640 H2O 208 H2O H2 3 0.423800 1.0079 0 - 2641 H2O 209 H2O O1 4 -0.847600 15.9994 0 - 2642 H2O 209 H2O H1 3 0.423800 1.0079 0 - 2643 H2O 209 H2O H2 3 0.423800 1.0079 0 - 2644 H2O 210 H2O O1 4 -0.847600 15.9994 0 - 2645 H2O 210 H2O H1 3 0.423800 1.0079 0 - 2646 H2O 210 H2O H2 3 0.423800 1.0079 0 - 2647 H2O 211 H2O O1 4 -0.847600 15.9994 0 - 2648 H2O 211 H2O H1 3 0.423800 1.0079 0 - 2649 H2O 211 H2O H2 3 0.423800 1.0079 0 - 2650 H2O 212 H2O O1 4 -0.847600 15.9994 0 - 2651 H2O 212 H2O H1 3 0.423800 1.0079 0 - 2652 H2O 212 H2O H2 3 0.423800 1.0079 0 - 2653 H2O 213 H2O O1 4 -0.847600 15.9994 0 - 2654 H2O 213 H2O H1 3 0.423800 1.0079 0 - 2655 H2O 213 H2O H2 3 0.423800 1.0079 0 - 2656 H2O 214 H2O O1 4 -0.847600 15.9994 0 - 2657 H2O 214 H2O H1 3 0.423800 1.0079 0 - 2658 H2O 214 H2O H2 3 0.423800 1.0079 0 - 2659 H2O 215 H2O O1 4 -0.847600 15.9994 0 - 2660 H2O 215 H2O H1 3 0.423800 1.0079 0 - 2661 H2O 215 H2O H2 3 0.423800 1.0079 0 - 2662 H2O 216 H2O O1 4 -0.847600 15.9994 0 - 2663 H2O 216 H2O H1 3 0.423800 1.0079 0 - 2664 H2O 216 H2O H2 3 0.423800 1.0079 0 - 2665 H2O 217 H2O O1 4 -0.847600 15.9994 0 - 2666 H2O 217 H2O H1 3 0.423800 1.0079 0 - 2667 H2O 217 H2O H2 3 0.423800 1.0079 0 - 2668 H2O 218 H2O O1 4 -0.847600 15.9994 0 - 2669 H2O 218 H2O H1 3 0.423800 1.0079 0 - 2670 H2O 218 H2O H2 3 0.423800 1.0079 0 - 2671 H2O 219 H2O O1 4 -0.847600 15.9994 0 - 2672 H2O 219 H2O H1 3 0.423800 1.0079 0 - 2673 H2O 219 H2O H2 3 0.423800 1.0079 0 - 2674 H2O 220 H2O O1 4 -0.847600 15.9994 0 - 2675 H2O 220 H2O H1 3 0.423800 1.0079 0 - 2676 H2O 220 H2O H2 3 0.423800 1.0079 0 - 2677 H2O 221 H2O O1 4 -0.847600 15.9994 0 - 2678 H2O 221 H2O H1 3 0.423800 1.0079 0 - 2679 H2O 221 H2O H2 3 0.423800 1.0079 0 - 2680 H2O 222 H2O O1 4 -0.847600 15.9994 0 - 2681 H2O 222 H2O H1 3 0.423800 1.0079 0 - 2682 H2O 222 H2O H2 3 0.423800 1.0079 0 - 2683 H2O 223 H2O O1 4 -0.847600 15.9994 0 - 2684 H2O 223 H2O H1 3 0.423800 1.0079 0 - 2685 H2O 223 H2O H2 3 0.423800 1.0079 0 - 2686 H2O 224 H2O O1 4 -0.847600 15.9994 0 - 2687 H2O 224 H2O H1 3 0.423800 1.0079 0 - 2688 H2O 224 H2O H2 3 0.423800 1.0079 0 - 2689 H2O 225 H2O O1 4 -0.847600 15.9994 0 - 2690 H2O 225 H2O H1 3 0.423800 1.0079 0 - 2691 H2O 225 H2O H2 3 0.423800 1.0079 0 - 2692 H2O 226 H2O O1 4 -0.847600 15.9994 0 - 2693 H2O 226 H2O H1 3 0.423800 1.0079 0 - 2694 H2O 226 H2O H2 3 0.423800 1.0079 0 - 2695 H2O 227 H2O O1 4 -0.847600 15.9994 0 - 2696 H2O 227 H2O H1 3 0.423800 1.0079 0 - 2697 H2O 227 H2O H2 3 0.423800 1.0079 0 - 2698 H2O 228 H2O O1 4 -0.847600 15.9994 0 - 2699 H2O 228 H2O H1 3 0.423800 1.0079 0 - 2700 H2O 228 H2O H2 3 0.423800 1.0079 0 - 2701 H2O 229 H2O O1 4 -0.847600 15.9994 0 - 2702 H2O 229 H2O H1 3 0.423800 1.0079 0 - 2703 H2O 229 H2O H2 3 0.423800 1.0079 0 - 2704 H2O 230 H2O O1 4 -0.847600 15.9994 0 - 2705 H2O 230 H2O H1 3 0.423800 1.0079 0 - 2706 H2O 230 H2O H2 3 0.423800 1.0079 0 - 2707 H2O 231 H2O O1 4 -0.847600 15.9994 0 - 2708 H2O 231 H2O H1 3 0.423800 1.0079 0 - 2709 H2O 231 H2O H2 3 0.423800 1.0079 0 - 2710 H2O 232 H2O O1 4 -0.847600 15.9994 0 - 2711 H2O 232 H2O H1 3 0.423800 1.0079 0 - 2712 H2O 232 H2O H2 3 0.423800 1.0079 0 - 2713 H2O 233 H2O O1 4 -0.847600 15.9994 0 - 2714 H2O 233 H2O H1 3 0.423800 1.0079 0 - 2715 H2O 233 H2O H2 3 0.423800 1.0079 0 - 2716 H2O 234 H2O O1 4 -0.847600 15.9994 0 - 2717 H2O 234 H2O H1 3 0.423800 1.0079 0 - 2718 H2O 234 H2O H2 3 0.423800 1.0079 0 - 2719 H2O 235 H2O O1 4 -0.847600 15.9994 0 - 2720 H2O 235 H2O H1 3 0.423800 1.0079 0 - 2721 H2O 235 H2O H2 3 0.423800 1.0079 0 - 2722 H2O 236 H2O O1 4 -0.847600 15.9994 0 - 2723 H2O 236 H2O H1 3 0.423800 1.0079 0 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H1 3 0.423800 1.0079 0 - 2748 H2O 244 H2O H2 3 0.423800 1.0079 0 - 2749 H2O 245 H2O O1 4 -0.847600 15.9994 0 - 2750 H2O 245 H2O H1 3 0.423800 1.0079 0 - 2751 H2O 245 H2O H2 3 0.423800 1.0079 0 - 2752 H2O 246 H2O O1 4 -0.847600 15.9994 0 - 2753 H2O 246 H2O H1 3 0.423800 1.0079 0 - 2754 H2O 246 H2O H2 3 0.423800 1.0079 0 - 2755 H2O 247 H2O O1 4 -0.847600 15.9994 0 - 2756 H2O 247 H2O H1 3 0.423800 1.0079 0 - 2757 H2O 247 H2O H2 3 0.423800 1.0079 0 - 2758 H2O 248 H2O O1 4 -0.847600 15.9994 0 - 2759 H2O 248 H2O H1 3 0.423800 1.0079 0 - 2760 H2O 248 H2O H2 3 0.423800 1.0079 0 - 2761 H2O 249 H2O O1 4 -0.847600 15.9994 0 - 2762 H2O 249 H2O H1 3 0.423800 1.0079 0 - 2763 H2O 249 H2O H2 3 0.423800 1.0079 0 - 2764 H2O 250 H2O O1 4 -0.847600 15.9994 0 - 2765 H2O 250 H2O H1 3 0.423800 1.0079 0 - 2766 H2O 250 H2O H2 3 0.423800 1.0079 0 - 2767 H2O 251 H2O O1 4 -0.847600 15.9994 0 - 2768 H2O 251 H2O H1 3 0.423800 1.0079 0 - 2769 H2O 251 H2O H2 3 0.423800 1.0079 0 - 2770 H2O 252 H2O O1 4 -0.847600 15.9994 0 - 2771 H2O 252 H2O H1 3 0.423800 1.0079 0 - 2772 H2O 252 H2O H2 3 0.423800 1.0079 0 - 2773 H2O 253 H2O O1 4 -0.847600 15.9994 0 - 2774 H2O 253 H2O H1 3 0.423800 1.0079 0 - 2775 H2O 253 H2O H2 3 0.423800 1.0079 0 - 2776 H2O 254 H2O O1 4 -0.847600 15.9994 0 - 2777 H2O 254 H2O H1 3 0.423800 1.0079 0 - 2778 H2O 254 H2O H2 3 0.423800 1.0079 0 - 2779 H2O 255 H2O O1 4 -0.847600 15.9994 0 - 2780 H2O 255 H2O H1 3 0.423800 1.0079 0 - 2781 H2O 255 H2O H2 3 0.423800 1.0079 0 - 2782 H2O 256 H2O O1 4 -0.847600 15.9994 0 - 2783 H2O 256 H2O H1 3 0.423800 1.0079 0 - 2784 H2O 256 H2O H2 3 0.423800 1.0079 0 - 2785 H2O 257 H2O O1 4 -0.847600 15.9994 0 - 2786 H2O 257 H2O H1 3 0.423800 1.0079 0 - 2787 H2O 257 H2O H2 3 0.423800 1.0079 0 - 2788 H2O 258 H2O O1 4 -0.847600 15.9994 0 - 2789 H2O 258 H2O H1 3 0.423800 1.0079 0 - 2790 H2O 258 H2O H2 3 0.423800 1.0079 0 - 2791 H2O 259 H2O O1 4 -0.847600 15.9994 0 - 2792 H2O 259 H2O H1 3 0.423800 1.0079 0 - 2793 H2O 259 H2O H2 3 0.423800 1.0079 0 - 2794 H2O 260 H2O O1 4 -0.847600 15.9994 0 - 2795 H2O 260 H2O H1 3 0.423800 1.0079 0 - 2796 H2O 260 H2O H2 3 0.423800 1.0079 0 - 2797 H2O 261 H2O O1 4 -0.847600 15.9994 0 - 2798 H2O 261 H2O H1 3 0.423800 1.0079 0 - 2799 H2O 261 H2O H2 3 0.423800 1.0079 0 - 2800 H2O 262 H2O O1 4 -0.847600 15.9994 0 - 2801 H2O 262 H2O H1 3 0.423800 1.0079 0 - 2802 H2O 262 H2O H2 3 0.423800 1.0079 0 - 2803 H2O 263 H2O O1 4 -0.847600 15.9994 0 - 2804 H2O 263 H2O H1 3 0.423800 1.0079 0 - 2805 H2O 263 H2O H2 3 0.423800 1.0079 0 - 2806 H2O 264 H2O O1 4 -0.847600 15.9994 0 - 2807 H2O 264 H2O H1 3 0.423800 1.0079 0 - 2808 H2O 264 H2O H2 3 0.423800 1.0079 0 - 2809 H2O 265 H2O O1 4 -0.847600 15.9994 0 - 2810 H2O 265 H2O H1 3 0.423800 1.0079 0 - 2811 H2O 265 H2O H2 3 0.423800 1.0079 0 - 2812 H2O 266 H2O O1 4 -0.847600 15.9994 0 - 2813 H2O 266 H2O H1 3 0.423800 1.0079 0 - 2814 H2O 266 H2O H2 3 0.423800 1.0079 0 - 2815 H2O 267 H2O O1 4 -0.847600 15.9994 0 - 2816 H2O 267 H2O H1 3 0.423800 1.0079 0 - 2817 H2O 267 H2O H2 3 0.423800 1.0079 0 - 2818 H2O 268 H2O O1 4 -0.847600 15.9994 0 - 2819 H2O 268 H2O H1 3 0.423800 1.0079 0 - 2820 H2O 268 H2O H2 3 0.423800 1.0079 0 - 2821 H2O 269 H2O O1 4 -0.847600 15.9994 0 - 2822 H2O 269 H2O H1 3 0.423800 1.0079 0 - 2823 H2O 269 H2O H2 3 0.423800 1.0079 0 - 2824 H2O 270 H2O O1 4 -0.847600 15.9994 0 - 2825 H2O 270 H2O H1 3 0.423800 1.0079 0 - 2826 H2O 270 H2O H2 3 0.423800 1.0079 0 - 2827 H2O 271 H2O O1 4 -0.847600 15.9994 0 - 2828 H2O 271 H2O H1 3 0.423800 1.0079 0 - 2829 H2O 271 H2O H2 3 0.423800 1.0079 0 - 2830 H2O 272 H2O O1 4 -0.847600 15.9994 0 - 2831 H2O 272 H2O H1 3 0.423800 1.0079 0 - 2832 H2O 272 H2O H2 3 0.423800 1.0079 0 - 2833 H2O 273 H2O O1 4 -0.847600 15.9994 0 - 2834 H2O 273 H2O H1 3 0.423800 1.0079 0 - 2835 H2O 273 H2O H2 3 0.423800 1.0079 0 - 2836 H2O 274 H2O O1 4 -0.847600 15.9994 0 - 2837 H2O 274 H2O H1 3 0.423800 1.0079 0 - 2838 H2O 274 H2O H2 3 0.423800 1.0079 0 - 2839 H2O 275 H2O O1 4 -0.847600 15.9994 0 - 2840 H2O 275 H2O H1 3 0.423800 1.0079 0 - 2841 H2O 275 H2O H2 3 0.423800 1.0079 0 - 2842 H2O 276 H2O O1 4 -0.847600 15.9994 0 - 2843 H2O 276 H2O H1 3 0.423800 1.0079 0 - 2844 H2O 276 H2O H2 3 0.423800 1.0079 0 - 2845 H2O 277 H2O O1 4 -0.847600 15.9994 0 - 2846 H2O 277 H2O H1 3 0.423800 1.0079 0 - 2847 H2O 277 H2O H2 3 0.423800 1.0079 0 - 2848 H2O 278 H2O O1 4 -0.847600 15.9994 0 - 2849 H2O 278 H2O H1 3 0.423800 1.0079 0 - 2850 H2O 278 H2O H2 3 0.423800 1.0079 0 - 2851 H2O 279 H2O O1 4 -0.847600 15.9994 0 - 2852 H2O 279 H2O H1 3 0.423800 1.0079 0 - 2853 H2O 279 H2O H2 3 0.423800 1.0079 0 - 2854 H2O 280 H2O O1 4 -0.847600 15.9994 0 - 2855 H2O 280 H2O H1 3 0.423800 1.0079 0 - 2856 H2O 280 H2O H2 3 0.423800 1.0079 0 - 2857 H2O 281 H2O O1 4 -0.847600 15.9994 0 - 2858 H2O 281 H2O H1 3 0.423800 1.0079 0 - 2859 H2O 281 H2O H2 3 0.423800 1.0079 0 - 2860 H2O 282 H2O O1 4 -0.847600 15.9994 0 - 2861 H2O 282 H2O H1 3 0.423800 1.0079 0 - 2862 H2O 282 H2O H2 3 0.423800 1.0079 0 - 2863 H2O 283 H2O O1 4 -0.847600 15.9994 0 - 2864 H2O 283 H2O H1 3 0.423800 1.0079 0 - 2865 H2O 283 H2O H2 3 0.423800 1.0079 0 - 2866 H2O 284 H2O O1 4 -0.847600 15.9994 0 - 2867 H2O 284 H2O H1 3 0.423800 1.0079 0 - 2868 H2O 284 H2O H2 3 0.423800 1.0079 0 - 2869 H2O 285 H2O O1 4 -0.847600 15.9994 0 - 2870 H2O 285 H2O H1 3 0.423800 1.0079 0 - 2871 H2O 285 H2O H2 3 0.423800 1.0079 0 - 2872 H2O 286 H2O O1 4 -0.847600 15.9994 0 - 2873 H2O 286 H2O H1 3 0.423800 1.0079 0 - 2874 H2O 286 H2O H2 3 0.423800 1.0079 0 - 2875 H2O 287 H2O O1 4 -0.847600 15.9994 0 - 2876 H2O 287 H2O H1 3 0.423800 1.0079 0 - 2877 H2O 287 H2O H2 3 0.423800 1.0079 0 - 2878 H2O 288 H2O O1 4 -0.847600 15.9994 0 - 2879 H2O 288 H2O H1 3 0.423800 1.0079 0 - 2880 H2O 288 H2O H2 3 0.423800 1.0079 0 - 2881 H2O 289 H2O O1 4 -0.847600 15.9994 0 - 2882 H2O 289 H2O H1 3 0.423800 1.0079 0 - 2883 H2O 289 H2O H2 3 0.423800 1.0079 0 - 2884 H2O 290 H2O O1 4 -0.847600 15.9994 0 - 2885 H2O 290 H2O H1 3 0.423800 1.0079 0 - 2886 H2O 290 H2O H2 3 0.423800 1.0079 0 - 2887 H2O 291 H2O O1 4 -0.847600 15.9994 0 - 2888 H2O 291 H2O H1 3 0.423800 1.0079 0 - 2889 H2O 291 H2O H2 3 0.423800 1.0079 0 - 2890 H2O 292 H2O O1 4 -0.847600 15.9994 0 - 2891 H2O 292 H2O H1 3 0.423800 1.0079 0 - 2892 H2O 292 H2O H2 3 0.423800 1.0079 0 - 2893 H2O 293 H2O O1 4 -0.847600 15.9994 0 - 2894 H2O 293 H2O H1 3 0.423800 1.0079 0 - 2895 H2O 293 H2O H2 3 0.423800 1.0079 0 - 2896 H2O 294 H2O O1 4 -0.847600 15.9994 0 - 2897 H2O 294 H2O H1 3 0.423800 1.0079 0 - 2898 H2O 294 H2O H2 3 0.423800 1.0079 0 - 2899 H2O 295 H2O O1 4 -0.847600 15.9994 0 - 2900 H2O 295 H2O H1 3 0.423800 1.0079 0 - 2901 H2O 295 H2O H2 3 0.423800 1.0079 0 - 2902 H2O 296 H2O O1 4 -0.847600 15.9994 0 - 2903 H2O 296 H2O H1 3 0.423800 1.0079 0 - 2904 H2O 296 H2O H2 3 0.423800 1.0079 0 - 2905 H2O 297 H2O O1 4 -0.847600 15.9994 0 - 2906 H2O 297 H2O H1 3 0.423800 1.0079 0 - 2907 H2O 297 H2O H2 3 0.423800 1.0079 0 - 2908 H2O 298 H2O O1 4 -0.847600 15.9994 0 - 2909 H2O 298 H2O H1 3 0.423800 1.0079 0 - 2910 H2O 298 H2O H2 3 0.423800 1.0079 0 - 2911 H2O 299 H2O O1 4 -0.847600 15.9994 0 - 2912 H2O 299 H2O H1 3 0.423800 1.0079 0 - 2913 H2O 299 H2O H2 3 0.423800 1.0079 0 - 2914 H2O 300 H2O O1 4 -0.847600 15.9994 0 - 2915 H2O 300 H2O H1 3 0.423800 1.0079 0 - 2916 H2O 300 H2O H2 3 0.423800 1.0079 0 - 2917 H2O 301 H2O O1 4 -0.847600 15.9994 0 - 2918 H2O 301 H2O H1 3 0.423800 1.0079 0 - 2919 H2O 301 H2O H2 3 0.423800 1.0079 0 - 2920 H2O 302 H2O O1 4 -0.847600 15.9994 0 - 2921 H2O 302 H2O H1 3 0.423800 1.0079 0 - 2922 H2O 302 H2O H2 3 0.423800 1.0079 0 - 2923 H2O 303 H2O O1 4 -0.847600 15.9994 0 - 2924 H2O 303 H2O H1 3 0.423800 1.0079 0 - 2925 H2O 303 H2O H2 3 0.423800 1.0079 0 - 2926 H2O 304 H2O O1 4 -0.847600 15.9994 0 - 2927 H2O 304 H2O H1 3 0.423800 1.0079 0 - 2928 H2O 304 H2O H2 3 0.423800 1.0079 0 - 2929 H2O 305 H2O O1 4 -0.847600 15.9994 0 - 2930 H2O 305 H2O H1 3 0.423800 1.0079 0 - 2931 H2O 305 H2O H2 3 0.423800 1.0079 0 - 2932 H2O 306 H2O O1 4 -0.847600 15.9994 0 - 2933 H2O 306 H2O H1 3 0.423800 1.0079 0 - 2934 H2O 306 H2O H2 3 0.423800 1.0079 0 - 2935 H2O 307 H2O O1 4 -0.847600 15.9994 0 - 2936 H2O 307 H2O H1 3 0.423800 1.0079 0 - 2937 H2O 307 H2O H2 3 0.423800 1.0079 0 - 2938 H2O 308 H2O O1 4 -0.847600 15.9994 0 - 2939 H2O 308 H2O H1 3 0.423800 1.0079 0 - 2940 H2O 308 H2O H2 3 0.423800 1.0079 0 - 2941 H2O 309 H2O O1 4 -0.847600 15.9994 0 - 2942 H2O 309 H2O H1 3 0.423800 1.0079 0 - 2943 H2O 309 H2O H2 3 0.423800 1.0079 0 - 2944 H2O 310 H2O O1 4 -0.847600 15.9994 0 - 2945 H2O 310 H2O H1 3 0.423800 1.0079 0 - 2946 H2O 310 H2O H2 3 0.423800 1.0079 0 - 2947 H2O 311 H2O O1 4 -0.847600 15.9994 0 - 2948 H2O 311 H2O H1 3 0.423800 1.0079 0 - 2949 H2O 311 H2O H2 3 0.423800 1.0079 0 - 2950 H2O 312 H2O O1 4 -0.847600 15.9994 0 - 2951 H2O 312 H2O H1 3 0.423800 1.0079 0 - 2952 H2O 312 H2O H2 3 0.423800 1.0079 0 - 2953 H2O 313 H2O O1 4 -0.847600 15.9994 0 - 2954 H2O 313 H2O H1 3 0.423800 1.0079 0 - 2955 H2O 313 H2O H2 3 0.423800 1.0079 0 - 2956 H2O 314 H2O O1 4 -0.847600 15.9994 0 - 2957 H2O 314 H2O H1 3 0.423800 1.0079 0 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H1 3 0.423800 1.0079 0 - 2982 H2O 322 H2O H2 3 0.423800 1.0079 0 - 2983 H2O 323 H2O O1 4 -0.847600 15.9994 0 - 2984 H2O 323 H2O H1 3 0.423800 1.0079 0 - 2985 H2O 323 H2O H2 3 0.423800 1.0079 0 - 2986 H2O 324 H2O O1 4 -0.847600 15.9994 0 - 2987 H2O 324 H2O H1 3 0.423800 1.0079 0 - 2988 H2O 324 H2O H2 3 0.423800 1.0079 0 - 2989 H2O 325 H2O O1 4 -0.847600 15.9994 0 - 2990 H2O 325 H2O H1 3 0.423800 1.0079 0 - 2991 H2O 325 H2O H2 3 0.423800 1.0079 0 - 2992 H2O 326 H2O O1 4 -0.847600 15.9994 0 - 2993 H2O 326 H2O H1 3 0.423800 1.0079 0 - 2994 H2O 326 H2O H2 3 0.423800 1.0079 0 - 2995 H2O 327 H2O O1 4 -0.847600 15.9994 0 - 2996 H2O 327 H2O H1 3 0.423800 1.0079 0 - 2997 H2O 327 H2O H2 3 0.423800 1.0079 0 - 2998 H2O 328 H2O O1 4 -0.847600 15.9994 0 - 2999 H2O 328 H2O H1 3 0.423800 1.0079 0 - 3000 H2O 328 H2O H2 3 0.423800 1.0079 0 - 3001 H2O 329 H2O O1 4 -0.847600 15.9994 0 - 3002 H2O 329 H2O H1 3 0.423800 1.0079 0 - 3003 H2O 329 H2O H2 3 0.423800 1.0079 0 - 3004 H2O 330 H2O O1 4 -0.847600 15.9994 0 - 3005 H2O 330 H2O H1 3 0.423800 1.0079 0 - 3006 H2O 330 H2O H2 3 0.423800 1.0079 0 - 3007 H2O 331 H2O O1 4 -0.847600 15.9994 0 - 3008 H2O 331 H2O H1 3 0.423800 1.0079 0 - 3009 H2O 331 H2O H2 3 0.423800 1.0079 0 - 3010 H2O 332 H2O O1 4 -0.847600 15.9994 0 - 3011 H2O 332 H2O H1 3 0.423800 1.0079 0 - 3012 H2O 332 H2O H2 3 0.423800 1.0079 0 - 3013 H2O 333 H2O O1 4 -0.847600 15.9994 0 - 3014 H2O 333 H2O H1 3 0.423800 1.0079 0 - 3015 H2O 333 H2O H2 3 0.423800 1.0079 0 - 3016 H2O 334 H2O O1 4 -0.847600 15.9994 0 - 3017 H2O 334 H2O H1 3 0.423800 1.0079 0 - 3018 H2O 334 H2O H2 3 0.423800 1.0079 0 - 3019 H2O 335 H2O O1 4 -0.847600 15.9994 0 - 3020 H2O 335 H2O H1 3 0.423800 1.0079 0 - 3021 H2O 335 H2O H2 3 0.423800 1.0079 0 - 3022 H2O 336 H2O O1 4 -0.847600 15.9994 0 - 3023 H2O 336 H2O H1 3 0.423800 1.0079 0 - 3024 H2O 336 H2O H2 3 0.423800 1.0079 0 - 3025 H2O 337 H2O O1 4 -0.847600 15.9994 0 - 3026 H2O 337 H2O H1 3 0.423800 1.0079 0 - 3027 H2O 337 H2O H2 3 0.423800 1.0079 0 - 3028 H2O 338 H2O O1 4 -0.847600 15.9994 0 - 3029 H2O 338 H2O H1 3 0.423800 1.0079 0 - 3030 H2O 338 H2O H2 3 0.423800 1.0079 0 - 3031 H2O 339 H2O O1 4 -0.847600 15.9994 0 - 3032 H2O 339 H2O H1 3 0.423800 1.0079 0 - 3033 H2O 339 H2O H2 3 0.423800 1.0079 0 - 3034 H2O 340 H2O O1 4 -0.847600 15.9994 0 - 3035 H2O 340 H2O H1 3 0.423800 1.0079 0 - 3036 H2O 340 H2O H2 3 0.423800 1.0079 0 - 3037 H2O 341 H2O O1 4 -0.847600 15.9994 0 - 3038 H2O 341 H2O H1 3 0.423800 1.0079 0 - 3039 H2O 341 H2O H2 3 0.423800 1.0079 0 - 3040 H2O 342 H2O O1 4 -0.847600 15.9994 0 - 3041 H2O 342 H2O H1 3 0.423800 1.0079 0 - 3042 H2O 342 H2O H2 3 0.423800 1.0079 0 - 3043 H2O 343 H2O O1 4 -0.847600 15.9994 0 - 3044 H2O 343 H2O H1 3 0.423800 1.0079 0 - 3045 H2O 343 H2O H2 3 0.423800 1.0079 0 - 3046 H2O 344 H2O O1 4 -0.847600 15.9994 0 - 3047 H2O 344 H2O H1 3 0.423800 1.0079 0 - 3048 H2O 344 H2O H2 3 0.423800 1.0079 0 - 3049 H2O 345 H2O O1 4 -0.847600 15.9994 0 - 3050 H2O 345 H2O H1 3 0.423800 1.0079 0 - 3051 H2O 345 H2O H2 3 0.423800 1.0079 0 - 3052 H2O 346 H2O O1 4 -0.847600 15.9994 0 - 3053 H2O 346 H2O H1 3 0.423800 1.0079 0 - 3054 H2O 346 H2O H2 3 0.423800 1.0079 0 - 3055 H2O 347 H2O O1 4 -0.847600 15.9994 0 - 3056 H2O 347 H2O H1 3 0.423800 1.0079 0 - 3057 H2O 347 H2O H2 3 0.423800 1.0079 0 - 3058 H2O 348 H2O O1 4 -0.847600 15.9994 0 - 3059 H2O 348 H2O H1 3 0.423800 1.0079 0 - 3060 H2O 348 H2O H2 3 0.423800 1.0079 0 - 3061 H2O 349 H2O O1 4 -0.847600 15.9994 0 - 3062 H2O 349 H2O H1 3 0.423800 1.0079 0 - 3063 H2O 349 H2O H2 3 0.423800 1.0079 0 - 3064 H2O 350 H2O O1 4 -0.847600 15.9994 0 - 3065 H2O 350 H2O H1 3 0.423800 1.0079 0 - 3066 H2O 350 H2O H2 3 0.423800 1.0079 0 - 3067 H2O 351 H2O O1 4 -0.847600 15.9994 0 - 3068 H2O 351 H2O H1 3 0.423800 1.0079 0 - 3069 H2O 351 H2O H2 3 0.423800 1.0079 0 - 3070 H2O 352 H2O O1 4 -0.847600 15.9994 0 - 3071 H2O 352 H2O H1 3 0.423800 1.0079 0 - 3072 H2O 352 H2O H2 3 0.423800 1.0079 0 - 3073 H2O 353 H2O O1 4 -0.847600 15.9994 0 - 3074 H2O 353 H2O H1 3 0.423800 1.0079 0 - 3075 H2O 353 H2O H2 3 0.423800 1.0079 0 - 3076 H2O 354 H2O O1 4 -0.847600 15.9994 0 - 3077 H2O 354 H2O H1 3 0.423800 1.0079 0 - 3078 H2O 354 H2O H2 3 0.423800 1.0079 0 - 3079 H2O 355 H2O O1 4 -0.847600 15.9994 0 - 3080 H2O 355 H2O H1 3 0.423800 1.0079 0 - 3081 H2O 355 H2O H2 3 0.423800 1.0079 0 - 3082 H2O 356 H2O O1 4 -0.847600 15.9994 0 - 3083 H2O 356 H2O H1 3 0.423800 1.0079 0 - 3084 H2O 356 H2O H2 3 0.423800 1.0079 0 - 3085 H2O 357 H2O O1 4 -0.847600 15.9994 0 - 3086 H2O 357 H2O H1 3 0.423800 1.0079 0 - 3087 H2O 357 H2O H2 3 0.423800 1.0079 0 - 3088 H2O 358 H2O O1 4 -0.847600 15.9994 0 - 3089 H2O 358 H2O H1 3 0.423800 1.0079 0 - 3090 H2O 358 H2O H2 3 0.423800 1.0079 0 - 3091 H2O 359 H2O O1 4 -0.847600 15.9994 0 - 3092 H2O 359 H2O H1 3 0.423800 1.0079 0 - 3093 H2O 359 H2O H2 3 0.423800 1.0079 0 - 3094 H2O 360 H2O O1 4 -0.847600 15.9994 0 - 3095 H2O 360 H2O H1 3 0.423800 1.0079 0 - 3096 H2O 360 H2O H2 3 0.423800 1.0079 0 - 3097 H2O 361 H2O O1 4 -0.847600 15.9994 0 - 3098 H2O 361 H2O H1 3 0.423800 1.0079 0 - 3099 H2O 361 H2O H2 3 0.423800 1.0079 0 - 3100 H2O 362 H2O O1 4 -0.847600 15.9994 0 - 3101 H2O 362 H2O H1 3 0.423800 1.0079 0 - 3102 H2O 362 H2O H2 3 0.423800 1.0079 0 - 3103 H2O 363 H2O O1 4 -0.847600 15.9994 0 - 3104 H2O 363 H2O H1 3 0.423800 1.0079 0 - 3105 H2O 363 H2O H2 3 0.423800 1.0079 0 - 3106 H2O 364 H2O O1 4 -0.847600 15.9994 0 - 3107 H2O 364 H2O H1 3 0.423800 1.0079 0 - 3108 H2O 364 H2O H2 3 0.423800 1.0079 0 - 3109 H2O 365 H2O O1 4 -0.847600 15.9994 0 - 3110 H2O 365 H2O H1 3 0.423800 1.0079 0 - 3111 H2O 365 H2O H2 3 0.423800 1.0079 0 - 3112 H2O 366 H2O O1 4 -0.847600 15.9994 0 - 3113 H2O 366 H2O H1 3 0.423800 1.0079 0 - 3114 H2O 366 H2O H2 3 0.423800 1.0079 0 - 3115 H2O 367 H2O O1 4 -0.847600 15.9994 0 - 3116 H2O 367 H2O H1 3 0.423800 1.0079 0 - 3117 H2O 367 H2O H2 3 0.423800 1.0079 0 - 3118 H2O 368 H2O O1 4 -0.847600 15.9994 0 - 3119 H2O 368 H2O H1 3 0.423800 1.0079 0 - 3120 H2O 368 H2O H2 3 0.423800 1.0079 0 - 3121 H2O 369 H2O O1 4 -0.847600 15.9994 0 - 3122 H2O 369 H2O H1 3 0.423800 1.0079 0 - 3123 H2O 369 H2O H2 3 0.423800 1.0079 0 - 3124 H2O 370 H2O O1 4 -0.847600 15.9994 0 - 3125 H2O 370 H2O H1 3 0.423800 1.0079 0 - 3126 H2O 370 H2O H2 3 0.423800 1.0079 0 - 3127 H2O 371 H2O O1 4 -0.847600 15.9994 0 - 3128 H2O 371 H2O H1 3 0.423800 1.0079 0 - 3129 H2O 371 H2O H2 3 0.423800 1.0079 0 - 3130 H2O 372 H2O O1 4 -0.847600 15.9994 0 - 3131 H2O 372 H2O H1 3 0.423800 1.0079 0 - 3132 H2O 372 H2O H2 3 0.423800 1.0079 0 - 3133 H2O 373 H2O O1 4 -0.847600 15.9994 0 - 3134 H2O 373 H2O H1 3 0.423800 1.0079 0 - 3135 H2O 373 H2O H2 3 0.423800 1.0079 0 - 3136 H2O 374 H2O O1 4 -0.847600 15.9994 0 - 3137 H2O 374 H2O H1 3 0.423800 1.0079 0 - 3138 H2O 374 H2O H2 3 0.423800 1.0079 0 - 3139 H2O 375 H2O O1 4 -0.847600 15.9994 0 - 3140 H2O 375 H2O H1 3 0.423800 1.0079 0 - 3141 H2O 375 H2O H2 3 0.423800 1.0079 0 - 3142 H2O 376 H2O O1 4 -0.847600 15.9994 0 - 3143 H2O 376 H2O H1 3 0.423800 1.0079 0 - 3144 H2O 376 H2O H2 3 0.423800 1.0079 0 - 3145 H2O 377 H2O O1 4 -0.847600 15.9994 0 - 3146 H2O 377 H2O H1 3 0.423800 1.0079 0 - 3147 H2O 377 H2O H2 3 0.423800 1.0079 0 - 3148 H2O 378 H2O O1 4 -0.847600 15.9994 0 - 3149 H2O 378 H2O H1 3 0.423800 1.0079 0 - 3150 H2O 378 H2O H2 3 0.423800 1.0079 0 - 3151 H2O 379 H2O O1 4 -0.847600 15.9994 0 - 3152 H2O 379 H2O H1 3 0.423800 1.0079 0 - 3153 H2O 379 H2O H2 3 0.423800 1.0079 0 - 3154 H2O 380 H2O O1 4 -0.847600 15.9994 0 - 3155 H2O 380 H2O H1 3 0.423800 1.0079 0 - 3156 H2O 380 H2O H2 3 0.423800 1.0079 0 - 3157 H2O 381 H2O O1 4 -0.847600 15.9994 0 - 3158 H2O 381 H2O H1 3 0.423800 1.0079 0 - 3159 H2O 381 H2O H2 3 0.423800 1.0079 0 - 3160 H2O 382 H2O O1 4 -0.847600 15.9994 0 - 3161 H2O 382 H2O H1 3 0.423800 1.0079 0 - 3162 H2O 382 H2O H2 3 0.423800 1.0079 0 - 3163 H2O 383 H2O O1 4 -0.847600 15.9994 0 - 3164 H2O 383 H2O H1 3 0.423800 1.0079 0 - 3165 H2O 383 H2O H2 3 0.423800 1.0079 0 - 3166 H2O 384 H2O O1 4 -0.847600 15.9994 0 - 3167 H2O 384 H2O H1 3 0.423800 1.0079 0 - 3168 H2O 384 H2O H2 3 0.423800 1.0079 0 - 3169 H2O 385 H2O O1 4 -0.847600 15.9994 0 - 3170 H2O 385 H2O H1 3 0.423800 1.0079 0 - 3171 H2O 385 H2O H2 3 0.423800 1.0079 0 - 3172 H2O 386 H2O O1 4 -0.847600 15.9994 0 - 3173 H2O 386 H2O H1 3 0.423800 1.0079 0 - 3174 H2O 386 H2O H2 3 0.423800 1.0079 0 - 3175 H2O 387 H2O O1 4 -0.847600 15.9994 0 - 3176 H2O 387 H2O H1 3 0.423800 1.0079 0 - 3177 H2O 387 H2O H2 3 0.423800 1.0079 0 - 3178 H2O 388 H2O O1 4 -0.847600 15.9994 0 - 3179 H2O 388 H2O H1 3 0.423800 1.0079 0 - 3180 H2O 388 H2O H2 3 0.423800 1.0079 0 - 3181 H2O 389 H2O O1 4 -0.847600 15.9994 0 - 3182 H2O 389 H2O H1 3 0.423800 1.0079 0 - 3183 H2O 389 H2O H2 3 0.423800 1.0079 0 - 3184 H2O 390 H2O O1 4 -0.847600 15.9994 0 - 3185 H2O 390 H2O H1 3 0.423800 1.0079 0 - 3186 H2O 390 H2O H2 3 0.423800 1.0079 0 - 3187 H2O 391 H2O O1 4 -0.847600 15.9994 0 - 3188 H2O 391 H2O H1 3 0.423800 1.0079 0 - 3189 H2O 391 H2O H2 3 0.423800 1.0079 0 - 3190 H2O 392 H2O O1 4 -0.847600 15.9994 0 - 3191 H2O 392 H2O H1 3 0.423800 1.0079 0 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H1 3 0.423800 1.0079 0 - 3216 H2O 400 H2O H2 3 0.423800 1.0079 0 - 3217 H2O 401 H2O O1 4 -0.847600 15.9994 0 - 3218 H2O 401 H2O H1 3 0.423800 1.0079 0 - 3219 H2O 401 H2O H2 3 0.423800 1.0079 0 - 3220 H2O 402 H2O O1 4 -0.847600 15.9994 0 - 3221 H2O 402 H2O H1 3 0.423800 1.0079 0 - 3222 H2O 402 H2O H2 3 0.423800 1.0079 0 - 3223 H2O 403 H2O O1 4 -0.847600 15.9994 0 - 3224 H2O 403 H2O H1 3 0.423800 1.0079 0 - 3225 H2O 403 H2O H2 3 0.423800 1.0079 0 - 3226 H2O 404 H2O O1 4 -0.847600 15.9994 0 - 3227 H2O 404 H2O H1 3 0.423800 1.0079 0 - 3228 H2O 404 H2O H2 3 0.423800 1.0079 0 - 3229 H2O 405 H2O O1 4 -0.847600 15.9994 0 - 3230 H2O 405 H2O H1 3 0.423800 1.0079 0 - 3231 H2O 405 H2O H2 3 0.423800 1.0079 0 - 3232 H2O 406 H2O O1 4 -0.847600 15.9994 0 - 3233 H2O 406 H2O H1 3 0.423800 1.0079 0 - 3234 H2O 406 H2O H2 3 0.423800 1.0079 0 - 3235 H2O 407 H2O O1 4 -0.847600 15.9994 0 - 3236 H2O 407 H2O H1 3 0.423800 1.0079 0 - 3237 H2O 407 H2O H2 3 0.423800 1.0079 0 - 3238 H2O 408 H2O O1 4 -0.847600 15.9994 0 - 3239 H2O 408 H2O H1 3 0.423800 1.0079 0 - 3240 H2O 408 H2O H2 3 0.423800 1.0079 0 - 3241 H2O 409 H2O O1 4 -0.847600 15.9994 0 - 3242 H2O 409 H2O H1 3 0.423800 1.0079 0 - 3243 H2O 409 H2O H2 3 0.423800 1.0079 0 - 3244 H2O 410 H2O O1 4 -0.847600 15.9994 0 - 3245 H2O 410 H2O H1 3 0.423800 1.0079 0 - 3246 H2O 410 H2O H2 3 0.423800 1.0079 0 - 3247 H2O 411 H2O O1 4 -0.847600 15.9994 0 - 3248 H2O 411 H2O H1 3 0.423800 1.0079 0 - 3249 H2O 411 H2O H2 3 0.423800 1.0079 0 - 3250 H2O 412 H2O O1 4 -0.847600 15.9994 0 - 3251 H2O 412 H2O H1 3 0.423800 1.0079 0 - 3252 H2O 412 H2O H2 3 0.423800 1.0079 0 - 3253 H2O 413 H2O O1 4 -0.847600 15.9994 0 - 3254 H2O 413 H2O H1 3 0.423800 1.0079 0 - 3255 H2O 413 H2O H2 3 0.423800 1.0079 0 - 3256 H2O 414 H2O O1 4 -0.847600 15.9994 0 - 3257 H2O 414 H2O H1 3 0.423800 1.0079 0 - 3258 H2O 414 H2O H2 3 0.423800 1.0079 0 - 3259 H2O 415 H2O O1 4 -0.847600 15.9994 0 - 3260 H2O 415 H2O H1 3 0.423800 1.0079 0 - 3261 H2O 415 H2O H2 3 0.423800 1.0079 0 - 3262 H2O 416 H2O O1 4 -0.847600 15.9994 0 - 3263 H2O 416 H2O H1 3 0.423800 1.0079 0 - 3264 H2O 416 H2O H2 3 0.423800 1.0079 0 - 3265 H2O 417 H2O O1 4 -0.847600 15.9994 0 - 3266 H2O 417 H2O H1 3 0.423800 1.0079 0 - 3267 H2O 417 H2O H2 3 0.423800 1.0079 0 - 3268 H2O 418 H2O O1 4 -0.847600 15.9994 0 - 3269 H2O 418 H2O H1 3 0.423800 1.0079 0 - 3270 H2O 418 H2O H2 3 0.423800 1.0079 0 - 3271 H2O 419 H2O O1 4 -0.847600 15.9994 0 - 3272 H2O 419 H2O H1 3 0.423800 1.0079 0 - 3273 H2O 419 H2O H2 3 0.423800 1.0079 0 - 3274 H2O 420 H2O O1 4 -0.847600 15.9994 0 - 3275 H2O 420 H2O H1 3 0.423800 1.0079 0 - 3276 H2O 420 H2O H2 3 0.423800 1.0079 0 - 3277 H2O 421 H2O O1 4 -0.847600 15.9994 0 - 3278 H2O 421 H2O H1 3 0.423800 1.0079 0 - 3279 H2O 421 H2O H2 3 0.423800 1.0079 0 - 3280 H2O 422 H2O O1 4 -0.847600 15.9994 0 - 3281 H2O 422 H2O H1 3 0.423800 1.0079 0 - 3282 H2O 422 H2O H2 3 0.423800 1.0079 0 - 3283 H2O 423 H2O O1 4 -0.847600 15.9994 0 - 3284 H2O 423 H2O H1 3 0.423800 1.0079 0 - 3285 H2O 423 H2O H2 3 0.423800 1.0079 0 - 3286 H2O 424 H2O O1 4 -0.847600 15.9994 0 - 3287 H2O 424 H2O H1 3 0.423800 1.0079 0 - 3288 H2O 424 H2O H2 3 0.423800 1.0079 0 - 3289 H2O 425 H2O O1 4 -0.847600 15.9994 0 - 3290 H2O 425 H2O H1 3 0.423800 1.0079 0 - 3291 H2O 425 H2O H2 3 0.423800 1.0079 0 - 3292 H2O 426 H2O O1 4 -0.847600 15.9994 0 - 3293 H2O 426 H2O H1 3 0.423800 1.0079 0 - 3294 H2O 426 H2O H2 3 0.423800 1.0079 0 - 3295 H2O 427 H2O O1 4 -0.847600 15.9994 0 - 3296 H2O 427 H2O H1 3 0.423800 1.0079 0 - 3297 H2O 427 H2O H2 3 0.423800 1.0079 0 - 3298 H2O 428 H2O O1 4 -0.847600 15.9994 0 - 3299 H2O 428 H2O H1 3 0.423800 1.0079 0 - 3300 H2O 428 H2O H2 3 0.423800 1.0079 0 - 3301 H2O 429 H2O O1 4 -0.847600 15.9994 0 - 3302 H2O 429 H2O H1 3 0.423800 1.0079 0 - 3303 H2O 429 H2O H2 3 0.423800 1.0079 0 - 3304 H2O 430 H2O O1 4 -0.847600 15.9994 0 - 3305 H2O 430 H2O H1 3 0.423800 1.0079 0 - 3306 H2O 430 H2O H2 3 0.423800 1.0079 0 - 3307 H2O 431 H2O O1 4 -0.847600 15.9994 0 - 3308 H2O 431 H2O H1 3 0.423800 1.0079 0 - 3309 H2O 431 H2O H2 3 0.423800 1.0079 0 - 3310 H2O 432 H2O O1 4 -0.847600 15.9994 0 - 3311 H2O 432 H2O H1 3 0.423800 1.0079 0 - 3312 H2O 432 H2O H2 3 0.423800 1.0079 0 - 3313 H2O 433 H2O O1 4 -0.847600 15.9994 0 - 3314 H2O 433 H2O H1 3 0.423800 1.0079 0 - 3315 H2O 433 H2O H2 3 0.423800 1.0079 0 - 3316 H2O 434 H2O O1 4 -0.847600 15.9994 0 - 3317 H2O 434 H2O H1 3 0.423800 1.0079 0 - 3318 H2O 434 H2O H2 3 0.423800 1.0079 0 - 3319 H2O 435 H2O O1 4 -0.847600 15.9994 0 - 3320 H2O 435 H2O H1 3 0.423800 1.0079 0 - 3321 H2O 435 H2O H2 3 0.423800 1.0079 0 - 3322 H2O 436 H2O O1 4 -0.847600 15.9994 0 - 3323 H2O 436 H2O H1 3 0.423800 1.0079 0 - 3324 H2O 436 H2O H2 3 0.423800 1.0079 0 - 3325 H2O 437 H2O O1 4 -0.847600 15.9994 0 - 3326 H2O 437 H2O H1 3 0.423800 1.0079 0 - 3327 H2O 437 H2O H2 3 0.423800 1.0079 0 - 3328 H2O 438 H2O O1 4 -0.847600 15.9994 0 - 3329 H2O 438 H2O H1 3 0.423800 1.0079 0 - 3330 H2O 438 H2O H2 3 0.423800 1.0079 0 - 3331 H2O 439 H2O O1 4 -0.847600 15.9994 0 - 3332 H2O 439 H2O H1 3 0.423800 1.0079 0 - 3333 H2O 439 H2O H2 3 0.423800 1.0079 0 - 3334 H2O 440 H2O O1 4 -0.847600 15.9994 0 - 3335 H2O 440 H2O H1 3 0.423800 1.0079 0 - 3336 H2O 440 H2O H2 3 0.423800 1.0079 0 - 3337 H2O 441 H2O O1 4 -0.847600 15.9994 0 - 3338 H2O 441 H2O H1 3 0.423800 1.0079 0 - 3339 H2O 441 H2O H2 3 0.423800 1.0079 0 - 3340 H2O 442 H2O O1 4 -0.847600 15.9994 0 - 3341 H2O 442 H2O H1 3 0.423800 1.0079 0 - 3342 H2O 442 H2O H2 3 0.423800 1.0079 0 - 3343 H2O 443 H2O O1 4 -0.847600 15.9994 0 - 3344 H2O 443 H2O H1 3 0.423800 1.0079 0 - 3345 H2O 443 H2O H2 3 0.423800 1.0079 0 - 3346 H2O 444 H2O O1 4 -0.847600 15.9994 0 - 3347 H2O 444 H2O H1 3 0.423800 1.0079 0 - 3348 H2O 444 H2O H2 3 0.423800 1.0079 0 - 3349 H2O 445 H2O O1 4 -0.847600 15.9994 0 - 3350 H2O 445 H2O H1 3 0.423800 1.0079 0 - 3351 H2O 445 H2O H2 3 0.423800 1.0079 0 - 3352 H2O 446 H2O O1 4 -0.847600 15.9994 0 - 3353 H2O 446 H2O H1 3 0.423800 1.0079 0 - 3354 H2O 446 H2O H2 3 0.423800 1.0079 0 - 3355 H2O 447 H2O O1 4 -0.847600 15.9994 0 - 3356 H2O 447 H2O H1 3 0.423800 1.0079 0 - 3357 H2O 447 H2O H2 3 0.423800 1.0079 0 - 3358 H2O 448 H2O O1 4 -0.847600 15.9994 0 - 3359 H2O 448 H2O H1 3 0.423800 1.0079 0 - 3360 H2O 448 H2O H2 3 0.423800 1.0079 0 - 3361 H2O 449 H2O O1 4 -0.847600 15.9994 0 - 3362 H2O 449 H2O H1 3 0.423800 1.0079 0 - 3363 H2O 449 H2O H2 3 0.423800 1.0079 0 - 3364 H2O 450 H2O O1 4 -0.847600 15.9994 0 - 3365 H2O 450 H2O H1 3 0.423800 1.0079 0 - 3366 H2O 450 H2O H2 3 0.423800 1.0079 0 - 3367 H2O 451 H2O O1 4 -0.847600 15.9994 0 - 3368 H2O 451 H2O H1 3 0.423800 1.0079 0 - 3369 H2O 451 H2O H2 3 0.423800 1.0079 0 - 3370 H2O 452 H2O O1 4 -0.847600 15.9994 0 - 3371 H2O 452 H2O H1 3 0.423800 1.0079 0 - 3372 H2O 452 H2O H2 3 0.423800 1.0079 0 - 3373 H2O 453 H2O O1 4 -0.847600 15.9994 0 - 3374 H2O 453 H2O H1 3 0.423800 1.0079 0 - 3375 H2O 453 H2O H2 3 0.423800 1.0079 0 - 3376 H2O 454 H2O O1 4 -0.847600 15.9994 0 - 3377 H2O 454 H2O H1 3 0.423800 1.0079 0 - 3378 H2O 454 H2O H2 3 0.423800 1.0079 0 - 3379 H2O 455 H2O O1 4 -0.847600 15.9994 0 - 3380 H2O 455 H2O H1 3 0.423800 1.0079 0 - 3381 H2O 455 H2O H2 3 0.423800 1.0079 0 - 3382 H2O 456 H2O O1 4 -0.847600 15.9994 0 - 3383 H2O 456 H2O H1 3 0.423800 1.0079 0 - 3384 H2O 456 H2O H2 3 0.423800 1.0079 0 - 3385 H2O 457 H2O O1 4 -0.847600 15.9994 0 - 3386 H2O 457 H2O H1 3 0.423800 1.0079 0 - 3387 H2O 457 H2O H2 3 0.423800 1.0079 0 - 3388 H2O 458 H2O O1 4 -0.847600 15.9994 0 - 3389 H2O 458 H2O H1 3 0.423800 1.0079 0 - 3390 H2O 458 H2O H2 3 0.423800 1.0079 0 - 3391 H2O 459 H2O O1 4 -0.847600 15.9994 0 - 3392 H2O 459 H2O H1 3 0.423800 1.0079 0 - 3393 H2O 459 H2O H2 3 0.423800 1.0079 0 - 3394 H2O 460 H2O O1 4 -0.847600 15.9994 0 - 3395 H2O 460 H2O H1 3 0.423800 1.0079 0 - 3396 H2O 460 H2O H2 3 0.423800 1.0079 0 - 3397 H2O 461 H2O O1 4 -0.847600 15.9994 0 - 3398 H2O 461 H2O H1 3 0.423800 1.0079 0 - 3399 H2O 461 H2O H2 3 0.423800 1.0079 0 - 3400 H2O 462 H2O O1 4 -0.847600 15.9994 0 - 3401 H2O 462 H2O H1 3 0.423800 1.0079 0 - 3402 H2O 462 H2O H2 3 0.423800 1.0079 0 - 3403 H2O 463 H2O O1 4 -0.847600 15.9994 0 - 3404 H2O 463 H2O H1 3 0.423800 1.0079 0 - 3405 H2O 463 H2O H2 3 0.423800 1.0079 0 - 3406 H2O 464 H2O O1 4 -0.847600 15.9994 0 - 3407 H2O 464 H2O H1 3 0.423800 1.0079 0 - 3408 H2O 464 H2O H2 3 0.423800 1.0079 0 - 3409 H2O 465 H2O O1 4 -0.847600 15.9994 0 - 3410 H2O 465 H2O H1 3 0.423800 1.0079 0 - 3411 H2O 465 H2O H2 3 0.423800 1.0079 0 - 3412 H2O 466 H2O O1 4 -0.847600 15.9994 0 - 3413 H2O 466 H2O H1 3 0.423800 1.0079 0 - 3414 H2O 466 H2O H2 3 0.423800 1.0079 0 - 3415 H2O 467 H2O O1 4 -0.847600 15.9994 0 - 3416 H2O 467 H2O H1 3 0.423800 1.0079 0 - 3417 H2O 467 H2O H2 3 0.423800 1.0079 0 - 3418 H2O 468 H2O O1 4 -0.847600 15.9994 0 - 3419 H2O 468 H2O H1 3 0.423800 1.0079 0 - 3420 H2O 468 H2O H2 3 0.423800 1.0079 0 - 3421 H2O 469 H2O O1 4 -0.847600 15.9994 0 - 3422 H2O 469 H2O H1 3 0.423800 1.0079 0 - 3423 H2O 469 H2O H2 3 0.423800 1.0079 0 - 3424 H2O 470 H2O O1 4 -0.847600 15.9994 0 - 3425 H2O 470 H2O H1 3 0.423800 1.0079 0 - 3426 H2O 470 H2O H2 3 0.423800 1.0079 0 - 3427 H2O 471 H2O O1 4 -0.847600 15.9994 0 - 3428 H2O 471 H2O H1 3 0.423800 1.0079 0 - 3429 H2O 471 H2O H2 3 0.423800 1.0079 0 - 3430 H2O 472 H2O O1 4 -0.847600 15.9994 0 - 3431 H2O 472 H2O H1 3 0.423800 1.0079 0 - 3432 H2O 472 H2O H2 3 0.423800 1.0079 0 - 3433 H2O 473 H2O O1 4 -0.847600 15.9994 0 - 3434 H2O 473 H2O H1 3 0.423800 1.0079 0 - 3435 H2O 473 H2O H2 3 0.423800 1.0079 0 - 3436 H2O 474 H2O O1 4 -0.847600 15.9994 0 - 3437 H2O 474 H2O H1 3 0.423800 1.0079 0 - 3438 H2O 474 H2O H2 3 0.423800 1.0079 0 - 3439 H2O 475 H2O O1 4 -0.847600 15.9994 0 - 3440 H2O 475 H2O H1 3 0.423800 1.0079 0 - 3441 H2O 475 H2O H2 3 0.423800 1.0079 0 - 3442 H2O 476 H2O O1 4 -0.847600 15.9994 0 - 3443 H2O 476 H2O H1 3 0.423800 1.0079 0 - 3444 H2O 476 H2O H2 3 0.423800 1.0079 0 - 3445 H2O 477 H2O O1 4 -0.847600 15.9994 0 - 3446 H2O 477 H2O H1 3 0.423800 1.0079 0 - 3447 H2O 477 H2O H2 3 0.423800 1.0079 0 - 3448 H2O 478 H2O O1 4 -0.847600 15.9994 0 - 3449 H2O 478 H2O H1 3 0.423800 1.0079 0 - 3450 H2O 478 H2O H2 3 0.423800 1.0079 0 - 3451 H2O 479 H2O O1 4 -0.847600 15.9994 0 - 3452 H2O 479 H2O H1 3 0.423800 1.0079 0 - 3453 H2O 479 H2O H2 3 0.423800 1.0079 0 - 3454 H2O 480 H2O O1 4 -0.847600 15.9994 0 - 3455 H2O 480 H2O H1 3 0.423800 1.0079 0 - 3456 H2O 480 H2O H2 3 0.423800 1.0079 0 - 3457 H2O 481 H2O O1 4 -0.847600 15.9994 0 - 3458 H2O 481 H2O H1 3 0.423800 1.0079 0 - 3459 H2O 481 H2O H2 3 0.423800 1.0079 0 - 3460 H2O 482 H2O O1 4 -0.847600 15.9994 0 - 3461 H2O 482 H2O H1 3 0.423800 1.0079 0 - 3462 H2O 482 H2O H2 3 0.423800 1.0079 0 - 3463 H2O 483 H2O O1 4 -0.847600 15.9994 0 - 3464 H2O 483 H2O H1 3 0.423800 1.0079 0 - 3465 H2O 483 H2O H2 3 0.423800 1.0079 0 - 3466 H2O 484 H2O O1 4 -0.847600 15.9994 0 - 3467 H2O 484 H2O H1 3 0.423800 1.0079 0 - 3468 H2O 484 H2O H2 3 0.423800 1.0079 0 - 3469 H2O 485 H2O O1 4 -0.847600 15.9994 0 - 3470 H2O 485 H2O H1 3 0.423800 1.0079 0 - 3471 H2O 485 H2O H2 3 0.423800 1.0079 0 - 3472 H2O 486 H2O O1 4 -0.847600 15.9994 0 - 3473 H2O 486 H2O H1 3 0.423800 1.0079 0 - 3474 H2O 486 H2O H2 3 0.423800 1.0079 0 - 3475 H2O 487 H2O O1 4 -0.847600 15.9994 0 - 3476 H2O 487 H2O H1 3 0.423800 1.0079 0 - 3477 H2O 487 H2O H2 3 0.423800 1.0079 0 - 3478 H2O 488 H2O O1 4 -0.847600 15.9994 0 - 3479 H2O 488 H2O H1 3 0.423800 1.0079 0 - 3480 H2O 488 H2O H2 3 0.423800 1.0079 0 - 3481 H2O 489 H2O O1 4 -0.847600 15.9994 0 - 3482 H2O 489 H2O H1 3 0.423800 1.0079 0 - 3483 H2O 489 H2O H2 3 0.423800 1.0079 0 - 3484 H2O 490 H2O O1 4 -0.847600 15.9994 0 - 3485 H2O 490 H2O H1 3 0.423800 1.0079 0 - 3486 H2O 490 H2O H2 3 0.423800 1.0079 0 - 3487 H2O 491 H2O O1 4 -0.847600 15.9994 0 - 3488 H2O 491 H2O H1 3 0.423800 1.0079 0 - 3489 H2O 491 H2O H2 3 0.423800 1.0079 0 - 3490 H2O 492 H2O O1 4 -0.847600 15.9994 0 - 3491 H2O 492 H2O H1 3 0.423800 1.0079 0 - 3492 H2O 492 H2O H2 3 0.423800 1.0079 0 - 3493 H2O 493 H2O O1 4 -0.847600 15.9994 0 - 3494 H2O 493 H2O H1 3 0.423800 1.0079 0 - 3495 H2O 493 H2O H2 3 0.423800 1.0079 0 - 3496 H2O 494 H2O O1 4 -0.847600 15.9994 0 - 3497 H2O 494 H2O H1 3 0.423800 1.0079 0 - 3498 H2O 494 H2O H2 3 0.423800 1.0079 0 - 3499 H2O 495 H2O O1 4 -0.847600 15.9994 0 - 3500 H2O 495 H2O H1 3 0.423800 1.0079 0 - 3501 H2O 495 H2O H2 3 0.423800 1.0079 0 - 3502 H2O 496 H2O O1 4 -0.847600 15.9994 0 - 3503 H2O 496 H2O H1 3 0.423800 1.0079 0 - 3504 H2O 496 H2O H2 3 0.423800 1.0079 0 - 3505 H2O 497 H2O O1 4 -0.847600 15.9994 0 - 3506 H2O 497 H2O H1 3 0.423800 1.0079 0 - 3507 H2O 497 H2O H2 3 0.423800 1.0079 0 - 3508 H2O 498 H2O O1 4 -0.847600 15.9994 0 - 3509 H2O 498 H2O H1 3 0.423800 1.0079 0 - 3510 H2O 498 H2O H2 3 0.423800 1.0079 0 - 3511 H2O 499 H2O O1 4 -0.847600 15.9994 0 - 3512 H2O 499 H2O H1 3 0.423800 1.0079 0 - 3513 H2O 499 H2O H2 3 0.423800 1.0079 0 - 3514 H2O 500 H2O O1 4 -0.847600 15.9994 0 - 3515 H2O 500 H2O H1 3 0.423800 1.0079 0 - 3516 H2O 500 H2O H2 3 0.423800 1.0079 0 - 3517 H2O 501 H2O O1 4 -0.847600 15.9994 0 - 3518 H2O 501 H2O H1 3 0.423800 1.0079 0 - 3519 H2O 501 H2O H2 3 0.423800 1.0079 0 - 3520 H2O 502 H2O O1 4 -0.847600 15.9994 0 - 3521 H2O 502 H2O H1 3 0.423800 1.0079 0 - 3522 H2O 502 H2O H2 3 0.423800 1.0079 0 - 3523 H2O 503 H2O O1 4 -0.847600 15.9994 0 - 3524 H2O 503 H2O H1 3 0.423800 1.0079 0 - 3525 H2O 503 H2O H2 3 0.423800 1.0079 0 - 3526 H2O 504 H2O O1 4 -0.847600 15.9994 0 - 3527 H2O 504 H2O H1 3 0.423800 1.0079 0 - 3528 H2O 504 H2O H2 3 0.423800 1.0079 0 - 3529 H2O 505 H2O O1 4 -0.847600 15.9994 0 - 3530 H2O 505 H2O H1 3 0.423800 1.0079 0 - 3531 H2O 505 H2O H2 3 0.423800 1.0079 0 - 3532 H2O 506 H2O O1 4 -0.847600 15.9994 0 - 3533 H2O 506 H2O H1 3 0.423800 1.0079 0 - 3534 H2O 506 H2O H2 3 0.423800 1.0079 0 - 3535 H2O 507 H2O O1 4 -0.847600 15.9994 0 - 3536 H2O 507 H2O H1 3 0.423800 1.0079 0 - 3537 H2O 507 H2O H2 3 0.423800 1.0079 0 - 3538 H2O 508 H2O O1 4 -0.847600 15.9994 0 - 3539 H2O 508 H2O H1 3 0.423800 1.0079 0 - 3540 H2O 508 H2O H2 3 0.423800 1.0079 0 - 3541 H2O 509 H2O O1 4 -0.847600 15.9994 0 - 3542 H2O 509 H2O H1 3 0.423800 1.0079 0 - 3543 H2O 509 H2O H2 3 0.423800 1.0079 0 - 3544 H2O 510 H2O O1 4 -0.847600 15.9994 0 - 3545 H2O 510 H2O H1 3 0.423800 1.0079 0 - 3546 H2O 510 H2O H2 3 0.423800 1.0079 0 - 3547 H2O 511 H2O O1 4 -0.847600 15.9994 0 - 3548 H2O 511 H2O H1 3 0.423800 1.0079 0 - 3549 H2O 511 H2O H2 3 0.423800 1.0079 0 - 3550 H2O 512 H2O O1 4 -0.847600 15.9994 0 - 3551 H2O 512 H2O H1 3 0.423800 1.0079 0 - 3552 H2O 512 H2O H2 3 0.423800 1.0079 0 - 3553 H2O 513 H2O O1 4 -0.847600 15.9994 0 - 3554 H2O 513 H2O H1 3 0.423800 1.0079 0 - 3555 H2O 513 H2O H2 3 0.423800 1.0079 0 - 3556 H2O 514 H2O O1 4 -0.847600 15.9994 0 - 3557 H2O 514 H2O H1 3 0.423800 1.0079 0 - 3558 H2O 514 H2O H2 3 0.423800 1.0079 0 - 3559 H2O 515 H2O O1 4 -0.847600 15.9994 0 - 3560 H2O 515 H2O H1 3 0.423800 1.0079 0 - 3561 H2O 515 H2O H2 3 0.423800 1.0079 0 - 3562 H2O 516 H2O O1 4 -0.847600 15.9994 0 - 3563 H2O 516 H2O H1 3 0.423800 1.0079 0 - 3564 H2O 516 H2O H2 3 0.423800 1.0079 0 - 3565 H2O 517 H2O O1 4 -0.847600 15.9994 0 - 3566 H2O 517 H2O H1 3 0.423800 1.0079 0 - 3567 H2O 517 H2O H2 3 0.423800 1.0079 0 - 3568 H2O 518 H2O O1 4 -0.847600 15.9994 0 - 3569 H2O 518 H2O H1 3 0.423800 1.0079 0 - 3570 H2O 518 H2O H2 3 0.423800 1.0079 0 - 3571 H2O 519 H2O O1 4 -0.847600 15.9994 0 - 3572 H2O 519 H2O H1 3 0.423800 1.0079 0 - 3573 H2O 519 H2O H2 3 0.423800 1.0079 0 - 3574 H2O 520 H2O O1 4 -0.847600 15.9994 0 - 3575 H2O 520 H2O H1 3 0.423800 1.0079 0 - 3576 H2O 520 H2O H2 3 0.423800 1.0079 0 - 3577 H2O 521 H2O O1 4 -0.847600 15.9994 0 - 3578 H2O 521 H2O H1 3 0.423800 1.0079 0 - 3579 H2O 521 H2O H2 3 0.423800 1.0079 0 - 3580 H2O 522 H2O O1 4 -0.847600 15.9994 0 - 3581 H2O 522 H2O H1 3 0.423800 1.0079 0 - 3582 H2O 522 H2O H2 3 0.423800 1.0079 0 - 3583 H2O 523 H2O O1 4 -0.847600 15.9994 0 - 3584 H2O 523 H2O H1 3 0.423800 1.0079 0 - 3585 H2O 523 H2O H2 3 0.423800 1.0079 0 - 3586 H2O 524 H2O O1 4 -0.847600 15.9994 0 - 3587 H2O 524 H2O H1 3 0.423800 1.0079 0 - 3588 H2O 524 H2O H2 3 0.423800 1.0079 0 - 3589 H2O 525 H2O O1 4 -0.847600 15.9994 0 - 3590 H2O 525 H2O H1 3 0.423800 1.0079 0 - 3591 H2O 525 H2O H2 3 0.423800 1.0079 0 - 3592 H2O 526 H2O O1 4 -0.847600 15.9994 0 - 3593 H2O 526 H2O H1 3 0.423800 1.0079 0 - 3594 H2O 526 H2O H2 3 0.423800 1.0079 0 - 3595 H2O 527 H2O O1 4 -0.847600 15.9994 0 - 3596 H2O 527 H2O H1 3 0.423800 1.0079 0 - 3597 H2O 527 H2O H2 3 0.423800 1.0079 0 - 3598 H2O 528 H2O O1 4 -0.847600 15.9994 0 - 3599 H2O 528 H2O H1 3 0.423800 1.0079 0 - 3600 H2O 528 H2O H2 3 0.423800 1.0079 0 - 3601 H2O 529 H2O O1 4 -0.847600 15.9994 0 - 3602 H2O 529 H2O H1 3 0.423800 1.0079 0 - 3603 H2O 529 H2O H2 3 0.423800 1.0079 0 - 3604 H2O 530 H2O O1 4 -0.847600 15.9994 0 - 3605 H2O 530 H2O H1 3 0.423800 1.0079 0 - 3606 H2O 530 H2O H2 3 0.423800 1.0079 0 - 3607 H2O 531 H2O O1 4 -0.847600 15.9994 0 - 3608 H2O 531 H2O H1 3 0.423800 1.0079 0 - 3609 H2O 531 H2O H2 3 0.423800 1.0079 0 - 3610 H2O 532 H2O O1 4 -0.847600 15.9994 0 - 3611 H2O 532 H2O H1 3 0.423800 1.0079 0 - 3612 H2O 532 H2O H2 3 0.423800 1.0079 0 - 3613 H2O 533 H2O O1 4 -0.847600 15.9994 0 - 3614 H2O 533 H2O H1 3 0.423800 1.0079 0 - 3615 H2O 533 H2O H2 3 0.423800 1.0079 0 - 3616 H2O 534 H2O O1 4 -0.847600 15.9994 0 - 3617 H2O 534 H2O H1 3 0.423800 1.0079 0 - 3618 H2O 534 H2O H2 3 0.423800 1.0079 0 - 3619 H2O 535 H2O O1 4 -0.847600 15.9994 0 - 3620 H2O 535 H2O H1 3 0.423800 1.0079 0 - 3621 H2O 535 H2O H2 3 0.423800 1.0079 0 - 3622 H2O 536 H2O O1 4 -0.847600 15.9994 0 - 3623 H2O 536 H2O H1 3 0.423800 1.0079 0 - 3624 H2O 536 H2O H2 3 0.423800 1.0079 0 - 3625 H2O 537 H2O O1 4 -0.847600 15.9994 0 - 3626 H2O 537 H2O H1 3 0.423800 1.0079 0 - 3627 H2O 537 H2O H2 3 0.423800 1.0079 0 - 3628 H2O 538 H2O O1 4 -0.847600 15.9994 0 - 3629 H2O 538 H2O H1 3 0.423800 1.0079 0 - 3630 H2O 538 H2O H2 3 0.423800 1.0079 0 - 3631 H2O 539 H2O O1 4 -0.847600 15.9994 0 - 3632 H2O 539 H2O H1 3 0.423800 1.0079 0 - 3633 H2O 539 H2O H2 3 0.423800 1.0079 0 - 3634 H2O 540 H2O O1 4 -0.847600 15.9994 0 - 3635 H2O 540 H2O H1 3 0.423800 1.0079 0 - 3636 H2O 540 H2O H2 3 0.423800 1.0079 0 - 3637 H2O 541 H2O O1 4 -0.847600 15.9994 0 - 3638 H2O 541 H2O H1 3 0.423800 1.0079 0 - 3639 H2O 541 H2O H2 3 0.423800 1.0079 0 - 3640 H2O 542 H2O O1 4 -0.847600 15.9994 0 - 3641 H2O 542 H2O H1 3 0.423800 1.0079 0 - 3642 H2O 542 H2O H2 3 0.423800 1.0079 0 - 3643 H2O 543 H2O O1 4 -0.847600 15.9994 0 - 3644 H2O 543 H2O H1 3 0.423800 1.0079 0 - 3645 H2O 543 H2O H2 3 0.423800 1.0079 0 - 3646 H2O 544 H2O O1 4 -0.847600 15.9994 0 - 3647 H2O 544 H2O H1 3 0.423800 1.0079 0 - 3648 H2O 544 H2O H2 3 0.423800 1.0079 0 - 3649 H2O 545 H2O O1 4 -0.847600 15.9994 0 - 3650 H2O 545 H2O H1 3 0.423800 1.0079 0 - 3651 H2O 545 H2O H2 3 0.423800 1.0079 0 - 3652 H2O 546 H2O O1 4 -0.847600 15.9994 0 - 3653 H2O 546 H2O H1 3 0.423800 1.0079 0 - 3654 H2O 546 H2O H2 3 0.423800 1.0079 0 - 3655 H2O 547 H2O O1 4 -0.847600 15.9994 0 - 3656 H2O 547 H2O H1 3 0.423800 1.0079 0 - 3657 H2O 547 H2O H2 3 0.423800 1.0079 0 - 3658 H2O 548 H2O O1 4 -0.847600 15.9994 0 - 3659 H2O 548 H2O H1 3 0.423800 1.0079 0 - 3660 H2O 548 H2O H2 3 0.423800 1.0079 0 - 3661 H2O 549 H2O O1 4 -0.847600 15.9994 0 - 3662 H2O 549 H2O H1 3 0.423800 1.0079 0 - 3663 H2O 549 H2O H2 3 0.423800 1.0079 0 - 3664 H2O 550 H2O O1 4 -0.847600 15.9994 0 - 3665 H2O 550 H2O H1 3 0.423800 1.0079 0 - 3666 H2O 550 H2O H2 3 0.423800 1.0079 0 - 3667 H2O 551 H2O O1 4 -0.847600 15.9994 0 - 3668 H2O 551 H2O H1 3 0.423800 1.0079 0 - 3669 H2O 551 H2O H2 3 0.423800 1.0079 0 - 3670 H2O 552 H2O O1 4 -0.847600 15.9994 0 - 3671 H2O 552 H2O H1 3 0.423800 1.0079 0 - 3672 H2O 552 H2O H2 3 0.423800 1.0079 0 - 3673 H2O 553 H2O O1 4 -0.847600 15.9994 0 - 3674 H2O 553 H2O H1 3 0.423800 1.0079 0 - 3675 H2O 553 H2O H2 3 0.423800 1.0079 0 - 3676 H2O 554 H2O O1 4 -0.847600 15.9994 0 - 3677 H2O 554 H2O H1 3 0.423800 1.0079 0 - 3678 H2O 554 H2O H2 3 0.423800 1.0079 0 - 3679 H2O 555 H2O O1 4 -0.847600 15.9994 0 - 3680 H2O 555 H2O H1 3 0.423800 1.0079 0 - 3681 H2O 555 H2O H2 3 0.423800 1.0079 0 - 3682 H2O 556 H2O O1 4 -0.847600 15.9994 0 - 3683 H2O 556 H2O H1 3 0.423800 1.0079 0 - 3684 H2O 556 H2O H2 3 0.423800 1.0079 0 - 3685 H2O 557 H2O O1 4 -0.847600 15.9994 0 - 3686 H2O 557 H2O H1 3 0.423800 1.0079 0 - 3687 H2O 557 H2O H2 3 0.423800 1.0079 0 - 3688 H2O 558 H2O O1 4 -0.847600 15.9994 0 - 3689 H2O 558 H2O H1 3 0.423800 1.0079 0 - 3690 H2O 558 H2O H2 3 0.423800 1.0079 0 - 3691 H2O 559 H2O O1 4 -0.847600 15.9994 0 - 3692 H2O 559 H2O H1 3 0.423800 1.0079 0 - 3693 H2O 559 H2O H2 3 0.423800 1.0079 0 - 3694 H2O 560 H2O O1 4 -0.847600 15.9994 0 - 3695 H2O 560 H2O H1 3 0.423800 1.0079 0 - 3696 H2O 560 H2O H2 3 0.423800 1.0079 0 - 3697 H2O 561 H2O O1 4 -0.847600 15.9994 0 - 3698 H2O 561 H2O H1 3 0.423800 1.0079 0 - 3699 H2O 561 H2O H2 3 0.423800 1.0079 0 - 3700 H2O 562 H2O O1 4 -0.847600 15.9994 0 - 3701 H2O 562 H2O H1 3 0.423800 1.0079 0 - 3702 H2O 562 H2O H2 3 0.423800 1.0079 0 - 3703 H2O 563 H2O O1 4 -0.847600 15.9994 0 - 3704 H2O 563 H2O H1 3 0.423800 1.0079 0 - 3705 H2O 563 H2O H2 3 0.423800 1.0079 0 - 3706 H2O 564 H2O O1 4 -0.847600 15.9994 0 - 3707 H2O 564 H2O H1 3 0.423800 1.0079 0 - 3708 H2O 564 H2O H2 3 0.423800 1.0079 0 - 3709 H2O 565 H2O O1 4 -0.847600 15.9994 0 - 3710 H2O 565 H2O H1 3 0.423800 1.0079 0 - 3711 H2O 565 H2O H2 3 0.423800 1.0079 0 - 3712 H2O 566 H2O O1 4 -0.847600 15.9994 0 - 3713 H2O 566 H2O H1 3 0.423800 1.0079 0 - 3714 H2O 566 H2O H2 3 0.423800 1.0079 0 - 3715 H2O 567 H2O O1 4 -0.847600 15.9994 0 - 3716 H2O 567 H2O H1 3 0.423800 1.0079 0 - 3717 H2O 567 H2O H2 3 0.423800 1.0079 0 - 3718 H2O 568 H2O O1 4 -0.847600 15.9994 0 - 3719 H2O 568 H2O H1 3 0.423800 1.0079 0 - 3720 H2O 568 H2O H2 3 0.423800 1.0079 0 - 3721 H2O 569 H2O O1 4 -0.847600 15.9994 0 - 3722 H2O 569 H2O H1 3 0.423800 1.0079 0 - 3723 H2O 569 H2O H2 3 0.423800 1.0079 0 - 3724 H2O 570 H2O O1 4 -0.847600 15.9994 0 - 3725 H2O 570 H2O H1 3 0.423800 1.0079 0 - 3726 H2O 570 H2O H2 3 0.423800 1.0079 0 - 3727 H2O 571 H2O O1 4 -0.847600 15.9994 0 - 3728 H2O 571 H2O H1 3 0.423800 1.0079 0 - 3729 H2O 571 H2O H2 3 0.423800 1.0079 0 - 3730 H2O 572 H2O O1 4 -0.847600 15.9994 0 - 3731 H2O 572 H2O H1 3 0.423800 1.0079 0 - 3732 H2O 572 H2O H2 3 0.423800 1.0079 0 - 3733 H2O 573 H2O O1 4 -0.847600 15.9994 0 - 3734 H2O 573 H2O H1 3 0.423800 1.0079 0 - 3735 H2O 573 H2O H2 3 0.423800 1.0079 0 - 3736 H2O 574 H2O O1 4 -0.847600 15.9994 0 - 3737 H2O 574 H2O H1 3 0.423800 1.0079 0 - 3738 H2O 574 H2O H2 3 0.423800 1.0079 0 - 3739 H2O 575 H2O O1 4 -0.847600 15.9994 0 - 3740 H2O 575 H2O H1 3 0.423800 1.0079 0 - 3741 H2O 575 H2O H2 3 0.423800 1.0079 0 - 3742 H2O 576 H2O O1 4 -0.847600 15.9994 0 - 3743 H2O 576 H2O H1 3 0.423800 1.0079 0 - 3744 H2O 576 H2O H2 3 0.423800 1.0079 0 - 3745 H2O 577 H2O O1 4 -0.847600 15.9994 0 - 3746 H2O 577 H2O H1 3 0.423800 1.0079 0 - 3747 H2O 577 H2O H2 3 0.423800 1.0079 0 - 3748 H2O 578 H2O O1 4 -0.847600 15.9994 0 - 3749 H2O 578 H2O H1 3 0.423800 1.0079 0 - 3750 H2O 578 H2O H2 3 0.423800 1.0079 0 - 3751 H2O 579 H2O O1 4 -0.847600 15.9994 0 - 3752 H2O 579 H2O H1 3 0.423800 1.0079 0 - 3753 H2O 579 H2O H2 3 0.423800 1.0079 0 - 3754 H2O 580 H2O O1 4 -0.847600 15.9994 0 - 3755 H2O 580 H2O H1 3 0.423800 1.0079 0 - 3756 H2O 580 H2O H2 3 0.423800 1.0079 0 - 3757 H2O 581 H2O O1 4 -0.847600 15.9994 0 - 3758 H2O 581 H2O H1 3 0.423800 1.0079 0 - 3759 H2O 581 H2O H2 3 0.423800 1.0079 0 - 3760 H2O 582 H2O O1 4 -0.847600 15.9994 0 - 3761 H2O 582 H2O H1 3 0.423800 1.0079 0 - 3762 H2O 582 H2O H2 3 0.423800 1.0079 0 - 3763 H2O 583 H2O O1 4 -0.847600 15.9994 0 - 3764 H2O 583 H2O H1 3 0.423800 1.0079 0 - 3765 H2O 583 H2O H2 3 0.423800 1.0079 0 - 3766 H2O 584 H2O O1 4 -0.847600 15.9994 0 - 3767 H2O 584 H2O H1 3 0.423800 1.0079 0 - 3768 H2O 584 H2O H2 3 0.423800 1.0079 0 - 3769 H2O 585 H2O O1 4 -0.847600 15.9994 0 - 3770 H2O 585 H2O H1 3 0.423800 1.0079 0 - 3771 H2O 585 H2O H2 3 0.423800 1.0079 0 - 3772 H2O 586 H2O O1 4 -0.847600 15.9994 0 - 3773 H2O 586 H2O H1 3 0.423800 1.0079 0 - 3774 H2O 586 H2O H2 3 0.423800 1.0079 0 - 3775 H2O 587 H2O O1 4 -0.847600 15.9994 0 - 3776 H2O 587 H2O H1 3 0.423800 1.0079 0 - 3777 H2O 587 H2O H2 3 0.423800 1.0079 0 - 3778 H2O 588 H2O O1 4 -0.847600 15.9994 0 - 3779 H2O 588 H2O H1 3 0.423800 1.0079 0 - 3780 H2O 588 H2O H2 3 0.423800 1.0079 0 - 3781 H2O 589 H2O O1 4 -0.847600 15.9994 0 - 3782 H2O 589 H2O H1 3 0.423800 1.0079 0 - 3783 H2O 589 H2O H2 3 0.423800 1.0079 0 - 3784 H2O 590 H2O O1 4 -0.847600 15.9994 0 - 3785 H2O 590 H2O H1 3 0.423800 1.0079 0 - 3786 H2O 590 H2O H2 3 0.423800 1.0079 0 - 3787 H2O 591 H2O O1 4 -0.847600 15.9994 0 - 3788 H2O 591 H2O H1 3 0.423800 1.0079 0 - 3789 H2O 591 H2O H2 3 0.423800 1.0079 0 - 3790 H2O 592 H2O O1 4 -0.847600 15.9994 0 - 3791 H2O 592 H2O H1 3 0.423800 1.0079 0 - 3792 H2O 592 H2O H2 3 0.423800 1.0079 0 - 3793 H2O 593 H2O O1 4 -0.847600 15.9994 0 - 3794 H2O 593 H2O H1 3 0.423800 1.0079 0 - 3795 H2O 593 H2O H2 3 0.423800 1.0079 0 - 3796 H2O 594 H2O O1 4 -0.847600 15.9994 0 - 3797 H2O 594 H2O H1 3 0.423800 1.0079 0 - 3798 H2O 594 H2O H2 3 0.423800 1.0079 0 - 3799 H2O 595 H2O O1 4 -0.847600 15.9994 0 - 3800 H2O 595 H2O H1 3 0.423800 1.0079 0 - 3801 H2O 595 H2O H2 3 0.423800 1.0079 0 - 3802 H2O 596 H2O O1 4 -0.847600 15.9994 0 - 3803 H2O 596 H2O H1 3 0.423800 1.0079 0 - 3804 H2O 596 H2O H2 3 0.423800 1.0079 0 - 3805 H2O 597 H2O O1 4 -0.847600 15.9994 0 - 3806 H2O 597 H2O H1 3 0.423800 1.0079 0 - 3807 H2O 597 H2O H2 3 0.423800 1.0079 0 - 3808 H2O 598 H2O O1 4 -0.847600 15.9994 0 - 3809 H2O 598 H2O H1 3 0.423800 1.0079 0 - 3810 H2O 598 H2O H2 3 0.423800 1.0079 0 - 3811 H2O 599 H2O O1 4 -0.847600 15.9994 0 - 3812 H2O 599 H2O H1 3 0.423800 1.0079 0 - 3813 H2O 599 H2O H2 3 0.423800 1.0079 0 - 3814 H2O 600 H2O O1 4 -0.847600 15.9994 0 - 3815 H2O 600 H2O H1 3 0.423800 1.0079 0 - 3816 H2O 600 H2O H2 3 0.423800 1.0079 0 - 3817 H2O 601 H2O O1 4 -0.847600 15.9994 0 - 3818 H2O 601 H2O H1 3 0.423800 1.0079 0 - 3819 H2O 601 H2O H2 3 0.423800 1.0079 0 - 3820 H2O 602 H2O O1 4 -0.847600 15.9994 0 - 3821 H2O 602 H2O H1 3 0.423800 1.0079 0 - 3822 H2O 602 H2O H2 3 0.423800 1.0079 0 - 3823 H2O 603 H2O O1 4 -0.847600 15.9994 0 - 3824 H2O 603 H2O H1 3 0.423800 1.0079 0 - 3825 H2O 603 H2O H2 3 0.423800 1.0079 0 - 3826 H2O 604 H2O O1 4 -0.847600 15.9994 0 - 3827 H2O 604 H2O H1 3 0.423800 1.0079 0 - 3828 H2O 604 H2O H2 3 0.423800 1.0079 0 - 3829 H2O 605 H2O O1 4 -0.847600 15.9994 0 - 3830 H2O 605 H2O H1 3 0.423800 1.0079 0 - 3831 H2O 605 H2O H2 3 0.423800 1.0079 0 - 3832 H2O 606 H2O O1 4 -0.847600 15.9994 0 - 3833 H2O 606 H2O H1 3 0.423800 1.0079 0 - 3834 H2O 606 H2O H2 3 0.423800 1.0079 0 - 3835 H2O 607 H2O O1 4 -0.847600 15.9994 0 - 3836 H2O 607 H2O H1 3 0.423800 1.0079 0 - 3837 H2O 607 H2O H2 3 0.423800 1.0079 0 - 3838 H2O 608 H2O O1 4 -0.847600 15.9994 0 - 3839 H2O 608 H2O H1 3 0.423800 1.0079 0 - 3840 H2O 608 H2O H2 3 0.423800 1.0079 0 - 3841 H2O 609 H2O O1 4 -0.847600 15.9994 0 - 3842 H2O 609 H2O H1 3 0.423800 1.0079 0 - 3843 H2O 609 H2O H2 3 0.423800 1.0079 0 - 3844 H2O 610 H2O O1 4 -0.847600 15.9994 0 - 3845 H2O 610 H2O H1 3 0.423800 1.0079 0 - 3846 H2O 610 H2O H2 3 0.423800 1.0079 0 - 3847 H2O 611 H2O O1 4 -0.847600 15.9994 0 - 3848 H2O 611 H2O H1 3 0.423800 1.0079 0 - 3849 H2O 611 H2O H2 3 0.423800 1.0079 0 - 3850 H2O 612 H2O O1 4 -0.847600 15.9994 0 - 3851 H2O 612 H2O H1 3 0.423800 1.0079 0 - 3852 H2O 612 H2O H2 3 0.423800 1.0079 0 - 3853 H2O 613 H2O O1 4 -0.847600 15.9994 0 - 3854 H2O 613 H2O H1 3 0.423800 1.0079 0 - 3855 H2O 613 H2O H2 3 0.423800 1.0079 0 - 3856 H2O 614 H2O O1 4 -0.847600 15.9994 0 - 3857 H2O 614 H2O H1 3 0.423800 1.0079 0 - 3858 H2O 614 H2O H2 3 0.423800 1.0079 0 - 3859 H2O 615 H2O O1 4 -0.847600 15.9994 0 - 3860 H2O 615 H2O H1 3 0.423800 1.0079 0 - 3861 H2O 615 H2O H2 3 0.423800 1.0079 0 - 3862 H2O 616 H2O O1 4 -0.847600 15.9994 0 - 3863 H2O 616 H2O H1 3 0.423800 1.0079 0 - 3864 H2O 616 H2O H2 3 0.423800 1.0079 0 - 3865 H2O 617 H2O O1 4 -0.847600 15.9994 0 - 3866 H2O 617 H2O H1 3 0.423800 1.0079 0 - 3867 H2O 617 H2O H2 3 0.423800 1.0079 0 - 3868 H2O 618 H2O O1 4 -0.847600 15.9994 0 - 3869 H2O 618 H2O H1 3 0.423800 1.0079 0 - 3870 H2O 618 H2O H2 3 0.423800 1.0079 0 - 3871 H2O 619 H2O O1 4 -0.847600 15.9994 0 - 3872 H2O 619 H2O H1 3 0.423800 1.0079 0 - 3873 H2O 619 H2O H2 3 0.423800 1.0079 0 - 3874 H2O 620 H2O O1 4 -0.847600 15.9994 0 - 3875 H2O 620 H2O H1 3 0.423800 1.0079 0 - 3876 H2O 620 H2O H2 3 0.423800 1.0079 0 - 3877 H2O 621 H2O O1 4 -0.847600 15.9994 0 - 3878 H2O 621 H2O H1 3 0.423800 1.0079 0 - 3879 H2O 621 H2O H2 3 0.423800 1.0079 0 - 3880 H2O 622 H2O O1 4 -0.847600 15.9994 0 - 3881 H2O 622 H2O H1 3 0.423800 1.0079 0 - 3882 H2O 622 H2O H2 3 0.423800 1.0079 0 - 3883 H2O 623 H2O O1 4 -0.847600 15.9994 0 - 3884 H2O 623 H2O H1 3 0.423800 1.0079 0 - 3885 H2O 623 H2O H2 3 0.423800 1.0079 0 - 3886 H2O 624 H2O O1 4 -0.847600 15.9994 0 - 3887 H2O 624 H2O H1 3 0.423800 1.0079 0 - 3888 H2O 624 H2O H2 3 0.423800 1.0079 0 - 3889 H2O 625 H2O O1 4 -0.847600 15.9994 0 - 3890 H2O 625 H2O H1 3 0.423800 1.0079 0 - 3891 H2O 625 H2O H2 3 0.423800 1.0079 0 - 3892 H2O 626 H2O O1 4 -0.847600 15.9994 0 - 3893 H2O 626 H2O H1 3 0.423800 1.0079 0 - 3894 H2O 626 H2O H2 3 0.423800 1.0079 0 - 3895 H2O 627 H2O O1 4 -0.847600 15.9994 0 - 3896 H2O 627 H2O H1 3 0.423800 1.0079 0 - 3897 H2O 627 H2O H2 3 0.423800 1.0079 0 - 3898 H2O 628 H2O O1 4 -0.847600 15.9994 0 - 3899 H2O 628 H2O H1 3 0.423800 1.0079 0 - 3900 H2O 628 H2O H2 3 0.423800 1.0079 0 - 3901 H2O 629 H2O O1 4 -0.847600 15.9994 0 - 3902 H2O 629 H2O H1 3 0.423800 1.0079 0 - 3903 H2O 629 H2O H2 3 0.423800 1.0079 0 - 3904 H2O 630 H2O O1 4 -0.847600 15.9994 0 - 3905 H2O 630 H2O H1 3 0.423800 1.0079 0 - 3906 H2O 630 H2O H2 3 0.423800 1.0079 0 - 3907 H2O 631 H2O O1 4 -0.847600 15.9994 0 - 3908 H2O 631 H2O H1 3 0.423800 1.0079 0 - 3909 H2O 631 H2O H2 3 0.423800 1.0079 0 - 3910 H2O 632 H2O O1 4 -0.847600 15.9994 0 - 3911 H2O 632 H2O H1 3 0.423800 1.0079 0 - 3912 H2O 632 H2O H2 3 0.423800 1.0079 0 - 3913 H2O 633 H2O O1 4 -0.847600 15.9994 0 - 3914 H2O 633 H2O H1 3 0.423800 1.0079 0 - 3915 H2O 633 H2O H2 3 0.423800 1.0079 0 - 3916 H2O 634 H2O O1 4 -0.847600 15.9994 0 - 3917 H2O 634 H2O H1 3 0.423800 1.0079 0 - 3918 H2O 634 H2O H2 3 0.423800 1.0079 0 - 3919 H2O 635 H2O O1 4 -0.847600 15.9994 0 - 3920 H2O 635 H2O H1 3 0.423800 1.0079 0 - 3921 H2O 635 H2O H2 3 0.423800 1.0079 0 - 3922 H2O 636 H2O O1 4 -0.847600 15.9994 0 - 3923 H2O 636 H2O H1 3 0.423800 1.0079 0 - 3924 H2O 636 H2O H2 3 0.423800 1.0079 0 - 3925 H2O 637 H2O O1 4 -0.847600 15.9994 0 - 3926 H2O 637 H2O H1 3 0.423800 1.0079 0 - 3927 H2O 637 H2O H2 3 0.423800 1.0079 0 - 3928 H2O 638 H2O O1 4 -0.847600 15.9994 0 - 3929 H2O 638 H2O H1 3 0.423800 1.0079 0 - 3930 H2O 638 H2O H2 3 0.423800 1.0079 0 - 3931 H2O 639 H2O O1 4 -0.847600 15.9994 0 - 3932 H2O 639 H2O H1 3 0.423800 1.0079 0 - 3933 H2O 639 H2O H2 3 0.423800 1.0079 0 - 3934 H2O 640 H2O O1 4 -0.847600 15.9994 0 - 3935 H2O 640 H2O H1 3 0.423800 1.0079 0 - 3936 H2O 640 H2O H2 3 0.423800 1.0079 0 - 3937 H2O 641 H2O O1 4 -0.847600 15.9994 0 - 3938 H2O 641 H2O H1 3 0.423800 1.0079 0 - 3939 H2O 641 H2O H2 3 0.423800 1.0079 0 - 3940 H2O 642 H2O O1 4 -0.847600 15.9994 0 - 3941 H2O 642 H2O H1 3 0.423800 1.0079 0 - 3942 H2O 642 H2O H2 3 0.423800 1.0079 0 - 3943 H2O 643 H2O O1 4 -0.847600 15.9994 0 - 3944 H2O 643 H2O H1 3 0.423800 1.0079 0 - 3945 H2O 643 H2O H2 3 0.423800 1.0079 0 - 3946 H2O 644 H2O O1 4 -0.847600 15.9994 0 - 3947 H2O 644 H2O H1 3 0.423800 1.0079 0 - 3948 H2O 644 H2O H2 3 0.423800 1.0079 0 - 3949 H2O 645 H2O O1 4 -0.847600 15.9994 0 - 3950 H2O 645 H2O H1 3 0.423800 1.0079 0 - 3951 H2O 645 H2O H2 3 0.423800 1.0079 0 - 3952 H2O 646 H2O O1 4 -0.847600 15.9994 0 - 3953 H2O 646 H2O H1 3 0.423800 1.0079 0 - 3954 H2O 646 H2O H2 3 0.423800 1.0079 0 - 3955 H2O 647 H2O O1 4 -0.847600 15.9994 0 - 3956 H2O 647 H2O H1 3 0.423800 1.0079 0 - 3957 H2O 647 H2O H2 3 0.423800 1.0079 0 - 3958 H2O 648 H2O O1 4 -0.847600 15.9994 0 - 3959 H2O 648 H2O H1 3 0.423800 1.0079 0 - 3960 H2O 648 H2O H2 3 0.423800 1.0079 0 - 3961 H2O 649 H2O O1 4 -0.847600 15.9994 0 - 3962 H2O 649 H2O H1 3 0.423800 1.0079 0 - 3963 H2O 649 H2O H2 3 0.423800 1.0079 0 - 3964 H2O 650 H2O O1 4 -0.847600 15.9994 0 - 3965 H2O 650 H2O H1 3 0.423800 1.0079 0 - 3966 H2O 650 H2O H2 3 0.423800 1.0079 0 - 3967 H2O 651 H2O O1 4 -0.847600 15.9994 0 - 3968 H2O 651 H2O H1 3 0.423800 1.0079 0 - 3969 H2O 651 H2O H2 3 0.423800 1.0079 0 - 3970 H2O 652 H2O O1 4 -0.847600 15.9994 0 - 3971 H2O 652 H2O H1 3 0.423800 1.0079 0 - 3972 H2O 652 H2O H2 3 0.423800 1.0079 0 - 3973 H2O 653 H2O O1 4 -0.847600 15.9994 0 - 3974 H2O 653 H2O H1 3 0.423800 1.0079 0 - 3975 H2O 653 H2O H2 3 0.423800 1.0079 0 - 3976 H2O 654 H2O O1 4 -0.847600 15.9994 0 - 3977 H2O 654 H2O H1 3 0.423800 1.0079 0 - 3978 H2O 654 H2O H2 3 0.423800 1.0079 0 - 3979 H2O 655 H2O O1 4 -0.847600 15.9994 0 - 3980 H2O 655 H2O H1 3 0.423800 1.0079 0 - 3981 H2O 655 H2O H2 3 0.423800 1.0079 0 - 3982 H2O 656 H2O O1 4 -0.847600 15.9994 0 - 3983 H2O 656 H2O H1 3 0.423800 1.0079 0 - 3984 H2O 656 H2O H2 3 0.423800 1.0079 0 - 3985 H2O 657 H2O O1 4 -0.847600 15.9994 0 - 3986 H2O 657 H2O H1 3 0.423800 1.0079 0 - 3987 H2O 657 H2O H2 3 0.423800 1.0079 0 - 3988 H2O 658 H2O O1 4 -0.847600 15.9994 0 - 3989 H2O 658 H2O H1 3 0.423800 1.0079 0 - 3990 H2O 658 H2O H2 3 0.423800 1.0079 0 - 3991 H2O 659 H2O O1 4 -0.847600 15.9994 0 - 3992 H2O 659 H2O H1 3 0.423800 1.0079 0 - 3993 H2O 659 H2O H2 3 0.423800 1.0079 0 - 3994 H2O 660 H2O O1 4 -0.847600 15.9994 0 - 3995 H2O 660 H2O H1 3 0.423800 1.0079 0 - 3996 H2O 660 H2O H2 3 0.423800 1.0079 0 - 3997 H2O 661 H2O O1 4 -0.847600 15.9994 0 - 3998 H2O 661 H2O H1 3 0.423800 1.0079 0 - 3999 H2O 661 H2O H2 3 0.423800 1.0079 0 - 4000 H2O 662 H2O O1 4 -0.847600 15.9994 0 - 4001 H2O 662 H2O H1 3 0.423800 1.0079 0 - 4002 H2O 662 H2O H2 3 0.423800 1.0079 0 - 4003 H2O 663 H2O O1 4 -0.847600 15.9994 0 - 4004 H2O 663 H2O H1 3 0.423800 1.0079 0 - 4005 H2O 663 H2O H2 3 0.423800 1.0079 0 - 4006 H2O 664 H2O O1 4 -0.847600 15.9994 0 - 4007 H2O 664 H2O H1 3 0.423800 1.0079 0 - 4008 H2O 664 H2O H2 3 0.423800 1.0079 0 - 4009 H2O 665 H2O O1 4 -0.847600 15.9994 0 - 4010 H2O 665 H2O H1 3 0.423800 1.0079 0 - 4011 H2O 665 H2O H2 3 0.423800 1.0079 0 - 4012 H2O 666 H2O O1 4 -0.847600 15.9994 0 - 4013 H2O 666 H2O H1 3 0.423800 1.0079 0 - 4014 H2O 666 H2O H2 3 0.423800 1.0079 0 - 4015 H2O 667 H2O O1 4 -0.847600 15.9994 0 - 4016 H2O 667 H2O H1 3 0.423800 1.0079 0 - 4017 H2O 667 H2O H2 3 0.423800 1.0079 0 - 4018 H2O 668 H2O O1 4 -0.847600 15.9994 0 - 4019 H2O 668 H2O H1 3 0.423800 1.0079 0 - 4020 H2O 668 H2O H2 3 0.423800 1.0079 0 - 4021 H2O 669 H2O O1 4 -0.847600 15.9994 0 - 4022 H2O 669 H2O H1 3 0.423800 1.0079 0 - 4023 H2O 669 H2O H2 3 0.423800 1.0079 0 - 4024 H2O 670 H2O O1 4 -0.847600 15.9994 0 - 4025 H2O 670 H2O H1 3 0.423800 1.0079 0 - 4026 H2O 670 H2O H2 3 0.423800 1.0079 0 - 4027 H2O 671 H2O O1 4 -0.847600 15.9994 0 - 4028 H2O 671 H2O H1 3 0.423800 1.0079 0 - 4029 H2O 671 H2O H2 3 0.423800 1.0079 0 - 4030 H2O 672 H2O O1 4 -0.847600 15.9994 0 - 4031 H2O 672 H2O H1 3 0.423800 1.0079 0 - 4032 H2O 672 H2O H2 3 0.423800 1.0079 0 - 4033 H2O 673 H2O O1 4 -0.847600 15.9994 0 - 4034 H2O 673 H2O H1 3 0.423800 1.0079 0 - 4035 H2O 673 H2O H2 3 0.423800 1.0079 0 - 4036 H2O 674 H2O O1 4 -0.847600 15.9994 0 - 4037 H2O 674 H2O H1 3 0.423800 1.0079 0 - 4038 H2O 674 H2O H2 3 0.423800 1.0079 0 - 4039 H2O 675 H2O O1 4 -0.847600 15.9994 0 - 4040 H2O 675 H2O H1 3 0.423800 1.0079 0 - 4041 H2O 675 H2O H2 3 0.423800 1.0079 0 - 4042 H2O 676 H2O O1 4 -0.847600 15.9994 0 - 4043 H2O 676 H2O H1 3 0.423800 1.0079 0 - 4044 H2O 676 H2O H2 3 0.423800 1.0079 0 - 4045 H2O 677 H2O O1 4 -0.847600 15.9994 0 - 4046 H2O 677 H2O H1 3 0.423800 1.0079 0 - 4047 H2O 677 H2O H2 3 0.423800 1.0079 0 - 4048 H2O 678 H2O O1 4 -0.847600 15.9994 0 - 4049 H2O 678 H2O H1 3 0.423800 1.0079 0 - 4050 H2O 678 H2O H2 3 0.423800 1.0079 0 - 4051 H2O 679 H2O O1 4 -0.847600 15.9994 0 - 4052 H2O 679 H2O H1 3 0.423800 1.0079 0 - 4053 H2O 679 H2O H2 3 0.423800 1.0079 0 - 4054 H2O 680 H2O O1 4 -0.847600 15.9994 0 - 4055 H2O 680 H2O H1 3 0.423800 1.0079 0 - 4056 H2O 680 H2O H2 3 0.423800 1.0079 0 - 4057 H2O 681 H2O O1 4 -0.847600 15.9994 0 - 4058 H2O 681 H2O H1 3 0.423800 1.0079 0 - 4059 H2O 681 H2O H2 3 0.423800 1.0079 0 - 4060 H2O 682 H2O O1 4 -0.847600 15.9994 0 - 4061 H2O 682 H2O H1 3 0.423800 1.0079 0 - 4062 H2O 682 H2O H2 3 0.423800 1.0079 0 - 4063 H2O 683 H2O O1 4 -0.847600 15.9994 0 - 4064 H2O 683 H2O H1 3 0.423800 1.0079 0 - 4065 H2O 683 H2O H2 3 0.423800 1.0079 0 - 4066 H2O 684 H2O O1 4 -0.847600 15.9994 0 - 4067 H2O 684 H2O H1 3 0.423800 1.0079 0 - 4068 H2O 684 H2O H2 3 0.423800 1.0079 0 - 4069 H2O 685 H2O O1 4 -0.847600 15.9994 0 - 4070 H2O 685 H2O H1 3 0.423800 1.0079 0 - 4071 H2O 685 H2O H2 3 0.423800 1.0079 0 - 4072 H2O 686 H2O O1 4 -0.847600 15.9994 0 - 4073 H2O 686 H2O H1 3 0.423800 1.0079 0 - 4074 H2O 686 H2O H2 3 0.423800 1.0079 0 - 4075 H2O 687 H2O O1 4 -0.847600 15.9994 0 - 4076 H2O 687 H2O H1 3 0.423800 1.0079 0 - 4077 H2O 687 H2O H2 3 0.423800 1.0079 0 - 4078 H2O 688 H2O O1 4 -0.847600 15.9994 0 - 4079 H2O 688 H2O H1 3 0.423800 1.0079 0 - 4080 H2O 688 H2O H2 3 0.423800 1.0079 0 - 4081 H2O 689 H2O O1 4 -0.847600 15.9994 0 - 4082 H2O 689 H2O H1 3 0.423800 1.0079 0 - 4083 H2O 689 H2O H2 3 0.423800 1.0079 0 - 4084 H2O 690 H2O O1 4 -0.847600 15.9994 0 - 4085 H2O 690 H2O H1 3 0.423800 1.0079 0 - 4086 H2O 690 H2O H2 3 0.423800 1.0079 0 - 4087 H2O 691 H2O O1 4 -0.847600 15.9994 0 - 4088 H2O 691 H2O H1 3 0.423800 1.0079 0 - 4089 H2O 691 H2O H2 3 0.423800 1.0079 0 - 4090 H2O 692 H2O O1 4 -0.847600 15.9994 0 - 4091 H2O 692 H2O H1 3 0.423800 1.0079 0 - 4092 H2O 692 H2O H2 3 0.423800 1.0079 0 - 4093 H2O 693 H2O O1 4 -0.847600 15.9994 0 - 4094 H2O 693 H2O H1 3 0.423800 1.0079 0 - 4095 H2O 693 H2O H2 3 0.423800 1.0079 0 - 4096 H2O 694 H2O O1 4 -0.847600 15.9994 0 - 4097 H2O 694 H2O H1 3 0.423800 1.0079 0 - 4098 H2O 694 H2O H2 3 0.423800 1.0079 0 - 4099 H2O 695 H2O O1 4 -0.847600 15.9994 0 - 4100 H2O 695 H2O H1 3 0.423800 1.0079 0 - 4101 H2O 695 H2O H2 3 0.423800 1.0079 0 - 4102 H2O 696 H2O O1 4 -0.847600 15.9994 0 - 4103 H2O 696 H2O H1 3 0.423800 1.0079 0 - 4104 H2O 696 H2O H2 3 0.423800 1.0079 0 - 4105 H2O 697 H2O O1 4 -0.847600 15.9994 0 - 4106 H2O 697 H2O H1 3 0.423800 1.0079 0 - 4107 H2O 697 H2O H2 3 0.423800 1.0079 0 - 4108 H2O 698 H2O O1 4 -0.847600 15.9994 0 - 4109 H2O 698 H2O H1 3 0.423800 1.0079 0 - 4110 H2O 698 H2O H2 3 0.423800 1.0079 0 - 4111 H2O 699 H2O O1 4 -0.847600 15.9994 0 - 4112 H2O 699 H2O H1 3 0.423800 1.0079 0 - 4113 H2O 699 H2O H2 3 0.423800 1.0079 0 - 4114 H2O 700 H2O O1 4 -0.847600 15.9994 0 - 4115 H2O 700 H2O H1 3 0.423800 1.0079 0 - 4116 H2O 700 H2O H2 3 0.423800 1.0079 0 - 4117 H2O 701 H2O O1 4 -0.847600 15.9994 0 - 4118 H2O 701 H2O H1 3 0.423800 1.0079 0 - 4119 H2O 701 H2O H2 3 0.423800 1.0079 0 - 4120 H2O 702 H2O O1 4 -0.847600 15.9994 0 - 4121 H2O 702 H2O H1 3 0.423800 1.0079 0 - 4122 H2O 702 H2O H2 3 0.423800 1.0079 0 - 4123 H2O 703 H2O O1 4 -0.847600 15.9994 0 - 4124 H2O 703 H2O H1 3 0.423800 1.0079 0 - 4125 H2O 703 H2O H2 3 0.423800 1.0079 0 - 4126 H2O 704 H2O O1 4 -0.847600 15.9994 0 - 4127 H2O 704 H2O H1 3 0.423800 1.0079 0 - 4128 H2O 704 H2O H2 3 0.423800 1.0079 0 - 4129 H2O 705 H2O O1 4 -0.847600 15.9994 0 - 4130 H2O 705 H2O H1 3 0.423800 1.0079 0 - 4131 H2O 705 H2O H2 3 0.423800 1.0079 0 - 4132 H2O 706 H2O O1 4 -0.847600 15.9994 0 - 4133 H2O 706 H2O H1 3 0.423800 1.0079 0 - 4134 H2O 706 H2O H2 3 0.423800 1.0079 0 - 4135 H2O 707 H2O O1 4 -0.847600 15.9994 0 - 4136 H2O 707 H2O H1 3 0.423800 1.0079 0 - 4137 H2O 707 H2O H2 3 0.423800 1.0079 0 - 4138 H2O 708 H2O O1 4 -0.847600 15.9994 0 - 4139 H2O 708 H2O H1 3 0.423800 1.0079 0 - 4140 H2O 708 H2O H2 3 0.423800 1.0079 0 - 4141 H2O 709 H2O O1 4 -0.847600 15.9994 0 - 4142 H2O 709 H2O H1 3 0.423800 1.0079 0 - 4143 H2O 709 H2O H2 3 0.423800 1.0079 0 - 4144 H2O 710 H2O O1 4 -0.847600 15.9994 0 - 4145 H2O 710 H2O H1 3 0.423800 1.0079 0 - 4146 H2O 710 H2O H2 3 0.423800 1.0079 0 - 4147 H2O 711 H2O O1 4 -0.847600 15.9994 0 - 4148 H2O 711 H2O H1 3 0.423800 1.0079 0 - 4149 H2O 711 H2O H2 3 0.423800 1.0079 0 - 4150 H2O 712 H2O O1 4 -0.847600 15.9994 0 - 4151 H2O 712 H2O H1 3 0.423800 1.0079 0 - 4152 H2O 712 H2O H2 3 0.423800 1.0079 0 - 4153 H2O 713 H2O O1 4 -0.847600 15.9994 0 - 4154 H2O 713 H2O H1 3 0.423800 1.0079 0 - 4155 H2O 713 H2O H2 3 0.423800 1.0079 0 - 4156 H2O 714 H2O O1 4 -0.847600 15.9994 0 - 4157 H2O 714 H2O H1 3 0.423800 1.0079 0 - 4158 H2O 714 H2O H2 3 0.423800 1.0079 0 - 4159 H2O 715 H2O O1 4 -0.847600 15.9994 0 - 4160 H2O 715 H2O H1 3 0.423800 1.0079 0 - 4161 H2O 715 H2O H2 3 0.423800 1.0079 0 - 4162 H2O 716 H2O O1 4 -0.847600 15.9994 0 - 4163 H2O 716 H2O H1 3 0.423800 1.0079 0 - 4164 H2O 716 H2O H2 3 0.423800 1.0079 0 - 4165 H2O 717 H2O O1 4 -0.847600 15.9994 0 - 4166 H2O 717 H2O H1 3 0.423800 1.0079 0 - 4167 H2O 717 H2O H2 3 0.423800 1.0079 0 - 4168 H2O 718 H2O O1 4 -0.847600 15.9994 0 - 4169 H2O 718 H2O H1 3 0.423800 1.0079 0 - 4170 H2O 718 H2O H2 3 0.423800 1.0079 0 - 4171 H2O 719 H2O O1 4 -0.847600 15.9994 0 - 4172 H2O 719 H2O H1 3 0.423800 1.0079 0 - 4173 H2O 719 H2O H2 3 0.423800 1.0079 0 - 4174 H2O 720 H2O O1 4 -0.847600 15.9994 0 - 4175 H2O 720 H2O H1 3 0.423800 1.0079 0 - 4176 H2O 720 H2O H2 3 0.423800 1.0079 0 - 4177 H2O 721 H2O O1 4 -0.847600 15.9994 0 - 4178 H2O 721 H2O H1 3 0.423800 1.0079 0 - 4179 H2O 721 H2O H2 3 0.423800 1.0079 0 - 4180 H2O 722 H2O O1 4 -0.847600 15.9994 0 - 4181 H2O 722 H2O H1 3 0.423800 1.0079 0 - 4182 H2O 722 H2O H2 3 0.423800 1.0079 0 - 4183 H2O 723 H2O O1 4 -0.847600 15.9994 0 - 4184 H2O 723 H2O H1 3 0.423800 1.0079 0 - 4185 H2O 723 H2O H2 3 0.423800 1.0079 0 - 4186 H2O 724 H2O O1 4 -0.847600 15.9994 0 - 4187 H2O 724 H2O H1 3 0.423800 1.0079 0 - 4188 H2O 724 H2O H2 3 0.423800 1.0079 0 - 4189 H2O 725 H2O O1 4 -0.847600 15.9994 0 - 4190 H2O 725 H2O H1 3 0.423800 1.0079 0 - 4191 H2O 725 H2O H2 3 0.423800 1.0079 0 - 4192 H2O 726 H2O O1 4 -0.847600 15.9994 0 - 4193 H2O 726 H2O H1 3 0.423800 1.0079 0 - 4194 H2O 726 H2O H2 3 0.423800 1.0079 0 - 4195 H2O 727 H2O O1 4 -0.847600 15.9994 0 - 4196 H2O 727 H2O H1 3 0.423800 1.0079 0 - 4197 H2O 727 H2O H2 3 0.423800 1.0079 0 - 4198 H2O 728 H2O O1 4 -0.847600 15.9994 0 - 4199 H2O 728 H2O H1 3 0.423800 1.0079 0 - 4200 H2O 728 H2O H2 3 0.423800 1.0079 0 - 4201 H2O 729 H2O O1 4 -0.847600 15.9994 0 - 4202 H2O 729 H2O H1 3 0.423800 1.0079 0 - 4203 H2O 729 H2O H2 3 0.423800 1.0079 0 - 4204 H2O 730 H2O O1 4 -0.847600 15.9994 0 - 4205 H2O 730 H2O H1 3 0.423800 1.0079 0 - 4206 H2O 730 H2O H2 3 0.423800 1.0079 0 - 4207 H2O 731 H2O O1 4 -0.847600 15.9994 0 - 4208 H2O 731 H2O H1 3 0.423800 1.0079 0 - 4209 H2O 731 H2O H2 3 0.423800 1.0079 0 - 4210 H2O 732 H2O O1 4 -0.847600 15.9994 0 - 4211 H2O 732 H2O H1 3 0.423800 1.0079 0 - 4212 H2O 732 H2O H2 3 0.423800 1.0079 0 - 4213 H2O 733 H2O O1 4 -0.847600 15.9994 0 - 4214 H2O 733 H2O H1 3 0.423800 1.0079 0 - 4215 H2O 733 H2O H2 3 0.423800 1.0079 0 - 4216 H2O 734 H2O O1 4 -0.847600 15.9994 0 - 4217 H2O 734 H2O H1 3 0.423800 1.0079 0 - 4218 H2O 734 H2O H2 3 0.423800 1.0079 0 - 4219 H2O 735 H2O O1 4 -0.847600 15.9994 0 - 4220 H2O 735 H2O H1 3 0.423800 1.0079 0 - 4221 H2O 735 H2O H2 3 0.423800 1.0079 0 - 4222 H2O 736 H2O O1 4 -0.847600 15.9994 0 - 4223 H2O 736 H2O H1 3 0.423800 1.0079 0 - 4224 H2O 736 H2O H2 3 0.423800 1.0079 0 - 4225 H2O 737 H2O O1 4 -0.847600 15.9994 0 - 4226 H2O 737 H2O H1 3 0.423800 1.0079 0 - 4227 H2O 737 H2O H2 3 0.423800 1.0079 0 - 4228 H2O 738 H2O O1 4 -0.847600 15.9994 0 - 4229 H2O 738 H2O H1 3 0.423800 1.0079 0 - 4230 H2O 738 H2O H2 3 0.423800 1.0079 0 - 4231 H2O 739 H2O O1 4 -0.847600 15.9994 0 - 4232 H2O 739 H2O H1 3 0.423800 1.0079 0 - 4233 H2O 739 H2O H2 3 0.423800 1.0079 0 - 4234 H2O 740 H2O O1 4 -0.847600 15.9994 0 - 4235 H2O 740 H2O H1 3 0.423800 1.0079 0 - 4236 H2O 740 H2O H2 3 0.423800 1.0079 0 - 4237 H2O 741 H2O O1 4 -0.847600 15.9994 0 - 4238 H2O 741 H2O H1 3 0.423800 1.0079 0 - 4239 H2O 741 H2O H2 3 0.423800 1.0079 0 - 4240 H2O 742 H2O O1 4 -0.847600 15.9994 0 - 4241 H2O 742 H2O H1 3 0.423800 1.0079 0 - 4242 H2O 742 H2O H2 3 0.423800 1.0079 0 - 4243 H2O 743 H2O O1 4 -0.847600 15.9994 0 - 4244 H2O 743 H2O H1 3 0.423800 1.0079 0 - 4245 H2O 743 H2O H2 3 0.423800 1.0079 0 - 4246 H2O 744 H2O O1 4 -0.847600 15.9994 0 - 4247 H2O 744 H2O H1 3 0.423800 1.0079 0 - 4248 H2O 744 H2O H2 3 0.423800 1.0079 0 - 4249 H2O 745 H2O O1 4 -0.847600 15.9994 0 - 4250 H2O 745 H2O H1 3 0.423800 1.0079 0 - 4251 H2O 745 H2O H2 3 0.423800 1.0079 0 - 4252 H2O 746 H2O O1 4 -0.847600 15.9994 0 - 4253 H2O 746 H2O H1 3 0.423800 1.0079 0 - 4254 H2O 746 H2O H2 3 0.423800 1.0079 0 - 4255 H2O 747 H2O O1 4 -0.847600 15.9994 0 - 4256 H2O 747 H2O H1 3 0.423800 1.0079 0 - 4257 H2O 747 H2O H2 3 0.423800 1.0079 0 - 4258 H2O 748 H2O O1 4 -0.847600 15.9994 0 - 4259 H2O 748 H2O H1 3 0.423800 1.0079 0 - 4260 H2O 748 H2O H2 3 0.423800 1.0079 0 - 4261 H2O 749 H2O O1 4 -0.847600 15.9994 0 - 4262 H2O 749 H2O H1 3 0.423800 1.0079 0 - 4263 H2O 749 H2O H2 3 0.423800 1.0079 0 - 4264 H2O 750 H2O O1 4 -0.847600 15.9994 0 - 4265 H2O 750 H2O H1 3 0.423800 1.0079 0 - 4266 H2O 750 H2O H2 3 0.423800 1.0079 0 - 4267 H2O 751 H2O O1 4 -0.847600 15.9994 0 - 4268 H2O 751 H2O H1 3 0.423800 1.0079 0 - 4269 H2O 751 H2O H2 3 0.423800 1.0079 0 - 4270 H2O 752 H2O O1 4 -0.847600 15.9994 0 - 4271 H2O 752 H2O H1 3 0.423800 1.0079 0 - 4272 H2O 752 H2O H2 3 0.423800 1.0079 0 - 4273 H2O 753 H2O O1 4 -0.847600 15.9994 0 - 4274 H2O 753 H2O H1 3 0.423800 1.0079 0 - 4275 H2O 753 H2O H2 3 0.423800 1.0079 0 - 4276 H2O 754 H2O O1 4 -0.847600 15.9994 0 - 4277 H2O 754 H2O H1 3 0.423800 1.0079 0 - 4278 H2O 754 H2O H2 3 0.423800 1.0079 0 - 4279 H2O 755 H2O O1 4 -0.847600 15.9994 0 - 4280 H2O 755 H2O H1 3 0.423800 1.0079 0 - 4281 H2O 755 H2O H2 3 0.423800 1.0079 0 - 4282 H2O 756 H2O O1 4 -0.847600 15.9994 0 - 4283 H2O 756 H2O H1 3 0.423800 1.0079 0 - 4284 H2O 756 H2O H2 3 0.423800 1.0079 0 - 4285 H2O 757 H2O O1 4 -0.847600 15.9994 0 - 4286 H2O 757 H2O H1 3 0.423800 1.0079 0 - 4287 H2O 757 H2O H2 3 0.423800 1.0079 0 - 4288 H2O 758 H2O O1 4 -0.847600 15.9994 0 - 4289 H2O 758 H2O H1 3 0.423800 1.0079 0 - 4290 H2O 758 H2O H2 3 0.423800 1.0079 0 - 4291 H2O 759 H2O O1 4 -0.847600 15.9994 0 - 4292 H2O 759 H2O H1 3 0.423800 1.0079 0 - 4293 H2O 759 H2O H2 3 0.423800 1.0079 0 - 4294 H2O 760 H2O O1 4 -0.847600 15.9994 0 - 4295 H2O 760 H2O H1 3 0.423800 1.0079 0 - 4296 H2O 760 H2O H2 3 0.423800 1.0079 0 - 4297 H2O 761 H2O O1 4 -0.847600 15.9994 0 - 4298 H2O 761 H2O H1 3 0.423800 1.0079 0 - 4299 H2O 761 H2O H2 3 0.423800 1.0079 0 - 4300 H2O 762 H2O O1 4 -0.847600 15.9994 0 - 4301 H2O 762 H2O H1 3 0.423800 1.0079 0 - 4302 H2O 762 H2O H2 3 0.423800 1.0079 0 - 4303 H2O 763 H2O O1 4 -0.847600 15.9994 0 - 4304 H2O 763 H2O H1 3 0.423800 1.0079 0 - 4305 H2O 763 H2O H2 3 0.423800 1.0079 0 - 4306 H2O 764 H2O O1 4 -0.847600 15.9994 0 - 4307 H2O 764 H2O H1 3 0.423800 1.0079 0 - 4308 H2O 764 H2O H2 3 0.423800 1.0079 0 - 4309 H2O 765 H2O O1 4 -0.847600 15.9994 0 - 4310 H2O 765 H2O H1 3 0.423800 1.0079 0 - 4311 H2O 765 H2O H2 3 0.423800 1.0079 0 - 4312 H2O 766 H2O O1 4 -0.847600 15.9994 0 - 4313 H2O 766 H2O H1 3 0.423800 1.0079 0 - 4314 H2O 766 H2O H2 3 0.423800 1.0079 0 - 4315 H2O 767 H2O O1 4 -0.847600 15.9994 0 - 4316 H2O 767 H2O H1 3 0.423800 1.0079 0 - 4317 H2O 767 H2O H2 3 0.423800 1.0079 0 - 4318 H2O 768 H2O O1 4 -0.847600 15.9994 0 - 4319 H2O 768 H2O H1 3 0.423800 1.0079 0 - 4320 H2O 768 H2O H2 3 0.423800 1.0079 0 - 4321 H2O 769 H2O O1 4 -0.847600 15.9994 0 - 4322 H2O 769 H2O H1 3 0.423800 1.0079 0 - 4323 H2O 769 H2O H2 3 0.423800 1.0079 0 - 4324 H2O 770 H2O O1 4 -0.847600 15.9994 0 - 4325 H2O 770 H2O H1 3 0.423800 1.0079 0 - 4326 H2O 770 H2O H2 3 0.423800 1.0079 0 - 4327 H2O 771 H2O O1 4 -0.847600 15.9994 0 - 4328 H2O 771 H2O H1 3 0.423800 1.0079 0 - 4329 H2O 771 H2O H2 3 0.423800 1.0079 0 - 4330 H2O 772 H2O O1 4 -0.847600 15.9994 0 - 4331 H2O 772 H2O H1 3 0.423800 1.0079 0 - 4332 H2O 772 H2O H2 3 0.423800 1.0079 0 - 4333 H2O 773 H2O O1 4 -0.847600 15.9994 0 - 4334 H2O 773 H2O H1 3 0.423800 1.0079 0 - 4335 H2O 773 H2O H2 3 0.423800 1.0079 0 - 4336 H2O 774 H2O O1 4 -0.847600 15.9994 0 - 4337 H2O 774 H2O H1 3 0.423800 1.0079 0 - 4338 H2O 774 H2O H2 3 0.423800 1.0079 0 - 4339 H2O 775 H2O O1 4 -0.847600 15.9994 0 - 4340 H2O 775 H2O H1 3 0.423800 1.0079 0 - 4341 H2O 775 H2O H2 3 0.423800 1.0079 0 - 4342 H2O 776 H2O O1 4 -0.847600 15.9994 0 - 4343 H2O 776 H2O H1 3 0.423800 1.0079 0 - 4344 H2O 776 H2O H2 3 0.423800 1.0079 0 - 4345 H2O 777 H2O O1 4 -0.847600 15.9994 0 - 4346 H2O 777 H2O H1 3 0.423800 1.0079 0 - 4347 H2O 777 H2O H2 3 0.423800 1.0079 0 - 4348 H2O 778 H2O O1 4 -0.847600 15.9994 0 - 4349 H2O 778 H2O H1 3 0.423800 1.0079 0 - 4350 H2O 778 H2O H2 3 0.423800 1.0079 0 - 4351 H2O 779 H2O O1 4 -0.847600 15.9994 0 - 4352 H2O 779 H2O H1 3 0.423800 1.0079 0 - 4353 H2O 779 H2O H2 3 0.423800 1.0079 0 - 4354 H2O 780 H2O O1 4 -0.847600 15.9994 0 - 4355 H2O 780 H2O H1 3 0.423800 1.0079 0 - 4356 H2O 780 H2O H2 3 0.423800 1.0079 0 - 4357 H2O 781 H2O O1 4 -0.847600 15.9994 0 - 4358 H2O 781 H2O H1 3 0.423800 1.0079 0 - 4359 H2O 781 H2O H2 3 0.423800 1.0079 0 - 4360 H2O 782 H2O O1 4 -0.847600 15.9994 0 - 4361 H2O 782 H2O H1 3 0.423800 1.0079 0 - 4362 H2O 782 H2O H2 3 0.423800 1.0079 0 - 4363 H2O 783 H2O O1 4 -0.847600 15.9994 0 - 4364 H2O 783 H2O H1 3 0.423800 1.0079 0 - 4365 H2O 783 H2O H2 3 0.423800 1.0079 0 - 4366 H2O 784 H2O O1 4 -0.847600 15.9994 0 - 4367 H2O 784 H2O H1 3 0.423800 1.0079 0 - 4368 H2O 784 H2O H2 3 0.423800 1.0079 0 - 4369 H2O 785 H2O O1 4 -0.847600 15.9994 0 - 4370 H2O 785 H2O H1 3 0.423800 1.0079 0 - 4371 H2O 785 H2O H2 3 0.423800 1.0079 0 - 4372 H2O 786 H2O O1 4 -0.847600 15.9994 0 - 4373 H2O 786 H2O H1 3 0.423800 1.0079 0 - 4374 H2O 786 H2O H2 3 0.423800 1.0079 0 - 4375 H2O 787 H2O O1 4 -0.847600 15.9994 0 - 4376 H2O 787 H2O H1 3 0.423800 1.0079 0 - 4377 H2O 787 H2O H2 3 0.423800 1.0079 0 - 4378 H2O 788 H2O O1 4 -0.847600 15.9994 0 - 4379 H2O 788 H2O H1 3 0.423800 1.0079 0 - 4380 H2O 788 H2O H2 3 0.423800 1.0079 0 - 4381 H2O 789 H2O O1 4 -0.847600 15.9994 0 - 4382 H2O 789 H2O H1 3 0.423800 1.0079 0 - 4383 H2O 789 H2O H2 3 0.423800 1.0079 0 - 4384 H2O 790 H2O O1 4 -0.847600 15.9994 0 - 4385 H2O 790 H2O H1 3 0.423800 1.0079 0 - 4386 H2O 790 H2O H2 3 0.423800 1.0079 0 - 4387 H2O 791 H2O O1 4 -0.847600 15.9994 0 - 4388 H2O 791 H2O H1 3 0.423800 1.0079 0 - 4389 H2O 791 H2O H2 3 0.423800 1.0079 0 - 4390 H2O 792 H2O O1 4 -0.847600 15.9994 0 - 4391 H2O 792 H2O H1 3 0.423800 1.0079 0 - 4392 H2O 792 H2O H2 3 0.423800 1.0079 0 - 4393 H2O 793 H2O O1 4 -0.847600 15.9994 0 - 4394 H2O 793 H2O H1 3 0.423800 1.0079 0 - 4395 H2O 793 H2O H2 3 0.423800 1.0079 0 - 4396 H2O 794 H2O O1 4 -0.847600 15.9994 0 - 4397 H2O 794 H2O H1 3 0.423800 1.0079 0 - 4398 H2O 794 H2O H2 3 0.423800 1.0079 0 - 4399 H2O 795 H2O O1 4 -0.847600 15.9994 0 - 4400 H2O 795 H2O H1 3 0.423800 1.0079 0 - 4401 H2O 795 H2O H2 3 0.423800 1.0079 0 - 4402 H2O 796 H2O O1 4 -0.847600 15.9994 0 - 4403 H2O 796 H2O H1 3 0.423800 1.0079 0 - 4404 H2O 796 H2O H2 3 0.423800 1.0079 0 - 4405 H2O 797 H2O O1 4 -0.847600 15.9994 0 - 4406 H2O 797 H2O H1 3 0.423800 1.0079 0 - 4407 H2O 797 H2O H2 3 0.423800 1.0079 0 - 4408 H2O 798 H2O O1 4 -0.847600 15.9994 0 - 4409 H2O 798 H2O H1 3 0.423800 1.0079 0 - 4410 H2O 798 H2O H2 3 0.423800 1.0079 0 - 4411 H2O 799 H2O O1 4 -0.847600 15.9994 0 - 4412 H2O 799 H2O H1 3 0.423800 1.0079 0 - 4413 H2O 799 H2O H2 3 0.423800 1.0079 0 - 4414 H2O 800 H2O O1 4 -0.847600 15.9994 0 - 4415 H2O 800 H2O H1 3 0.423800 1.0079 0 - 4416 H2O 800 H2O H2 3 0.423800 1.0079 0 - 4417 H2O 801 H2O O1 4 -0.847600 15.9994 0 - 4418 H2O 801 H2O H1 3 0.423800 1.0079 0 - 4419 H2O 801 H2O H2 3 0.423800 1.0079 0 - 4420 H2O 802 H2O O1 4 -0.847600 15.9994 0 - 4421 H2O 802 H2O H1 3 0.423800 1.0079 0 - 4422 H2O 802 H2O H2 3 0.423800 1.0079 0 - 4423 H2O 803 H2O O1 4 -0.847600 15.9994 0 - 4424 H2O 803 H2O H1 3 0.423800 1.0079 0 - 4425 H2O 803 H2O H2 3 0.423800 1.0079 0 - 4426 H2O 804 H2O O1 4 -0.847600 15.9994 0 - 4427 H2O 804 H2O H1 3 0.423800 1.0079 0 - 4428 H2O 804 H2O H2 3 0.423800 1.0079 0 - 4429 H2O 805 H2O O1 4 -0.847600 15.9994 0 - 4430 H2O 805 H2O H1 3 0.423800 1.0079 0 - 4431 H2O 805 H2O H2 3 0.423800 1.0079 0 - 4432 H2O 806 H2O O1 4 -0.847600 15.9994 0 - 4433 H2O 806 H2O H1 3 0.423800 1.0079 0 - 4434 H2O 806 H2O H2 3 0.423800 1.0079 0 - 4435 H2O 807 H2O O1 4 -0.847600 15.9994 0 - 4436 H2O 807 H2O H1 3 0.423800 1.0079 0 - 4437 H2O 807 H2O H2 3 0.423800 1.0079 0 - 4438 H2O 808 H2O O1 4 -0.847600 15.9994 0 - 4439 H2O 808 H2O H1 3 0.423800 1.0079 0 - 4440 H2O 808 H2O H2 3 0.423800 1.0079 0 - 4441 H2O 809 H2O O1 4 -0.847600 15.9994 0 - 4442 H2O 809 H2O H1 3 0.423800 1.0079 0 - 4443 H2O 809 H2O H2 3 0.423800 1.0079 0 - 4444 H2O 810 H2O O1 4 -0.847600 15.9994 0 - 4445 H2O 810 H2O H1 3 0.423800 1.0079 0 - 4446 H2O 810 H2O H2 3 0.423800 1.0079 0 - 4447 H2O 811 H2O O1 4 -0.847600 15.9994 0 - 4448 H2O 811 H2O H1 3 0.423800 1.0079 0 - 4449 H2O 811 H2O H2 3 0.423800 1.0079 0 - 4450 H2O 812 H2O O1 4 -0.847600 15.9994 0 - 4451 H2O 812 H2O H1 3 0.423800 1.0079 0 - 4452 H2O 812 H2O H2 3 0.423800 1.0079 0 - 4453 H2O 813 H2O O1 4 -0.847600 15.9994 0 - 4454 H2O 813 H2O H1 3 0.423800 1.0079 0 - 4455 H2O 813 H2O H2 3 0.423800 1.0079 0 - 4456 H2O 814 H2O O1 4 -0.847600 15.9994 0 - 4457 H2O 814 H2O H1 3 0.423800 1.0079 0 - 4458 H2O 814 H2O H2 3 0.423800 1.0079 0 - 4459 H2O 815 H2O O1 4 -0.847600 15.9994 0 - 4460 H2O 815 H2O H1 3 0.423800 1.0079 0 - 4461 H2O 815 H2O H2 3 0.423800 1.0079 0 - 4462 H2O 816 H2O O1 4 -0.847600 15.9994 0 - 4463 H2O 816 H2O H1 3 0.423800 1.0079 0 - 4464 H2O 816 H2O H2 3 0.423800 1.0079 0 - 4465 H2O 817 H2O O1 4 -0.847600 15.9994 0 - 4466 H2O 817 H2O H1 3 0.423800 1.0079 0 - 4467 H2O 817 H2O H2 3 0.423800 1.0079 0 - 4468 H2O 818 H2O O1 4 -0.847600 15.9994 0 - 4469 H2O 818 H2O H1 3 0.423800 1.0079 0 - 4470 H2O 818 H2O H2 3 0.423800 1.0079 0 - 4471 H2O 819 H2O O1 4 -0.847600 15.9994 0 - 4472 H2O 819 H2O H1 3 0.423800 1.0079 0 - 4473 H2O 819 H2O H2 3 0.423800 1.0079 0 - 4474 H2O 820 H2O O1 4 -0.847600 15.9994 0 - 4475 H2O 820 H2O H1 3 0.423800 1.0079 0 - 4476 H2O 820 H2O H2 3 0.423800 1.0079 0 - 4477 H2O 821 H2O O1 4 -0.847600 15.9994 0 - 4478 H2O 821 H2O H1 3 0.423800 1.0079 0 - 4479 H2O 821 H2O H2 3 0.423800 1.0079 0 - 4480 H2O 822 H2O O1 4 -0.847600 15.9994 0 - 4481 H2O 822 H2O H1 3 0.423800 1.0079 0 - 4482 H2O 822 H2O H2 3 0.423800 1.0079 0 - 4483 H2O 823 H2O O1 4 -0.847600 15.9994 0 - 4484 H2O 823 H2O H1 3 0.423800 1.0079 0 - 4485 H2O 823 H2O H2 3 0.423800 1.0079 0 - 4486 H2O 824 H2O O1 4 -0.847600 15.9994 0 - 4487 H2O 824 H2O H1 3 0.423800 1.0079 0 - 4488 H2O 824 H2O H2 3 0.423800 1.0079 0 - 4489 H2O 825 H2O O1 4 -0.847600 15.9994 0 - 4490 H2O 825 H2O H1 3 0.423800 1.0079 0 - 4491 H2O 825 H2O H2 3 0.423800 1.0079 0 - 4492 H2O 826 H2O O1 4 -0.847600 15.9994 0 - 4493 H2O 826 H2O H1 3 0.423800 1.0079 0 - 4494 H2O 826 H2O H2 3 0.423800 1.0079 0 - 4495 H2O 827 H2O O1 4 -0.847600 15.9994 0 - 4496 H2O 827 H2O H1 3 0.423800 1.0079 0 - 4497 H2O 827 H2O H2 3 0.423800 1.0079 0 - 4498 H2O 828 H2O O1 4 -0.847600 15.9994 0 - 4499 H2O 828 H2O H1 3 0.423800 1.0079 0 - 4500 H2O 828 H2O H2 3 0.423800 1.0079 0 - 4501 H2O 829 H2O O1 4 -0.847600 15.9994 0 - 4502 H2O 829 H2O H1 3 0.423800 1.0079 0 - 4503 H2O 829 H2O H2 3 0.423800 1.0079 0 - 4504 H2O 830 H2O O1 4 -0.847600 15.9994 0 - 4505 H2O 830 H2O H1 3 0.423800 1.0079 0 - 4506 H2O 830 H2O H2 3 0.423800 1.0079 0 - 4507 H2O 831 H2O O1 4 -0.847600 15.9994 0 - 4508 H2O 831 H2O H1 3 0.423800 1.0079 0 - 4509 H2O 831 H2O H2 3 0.423800 1.0079 0 - 4510 H2O 832 H2O O1 4 -0.847600 15.9994 0 - 4511 H2O 832 H2O H1 3 0.423800 1.0079 0 - 4512 H2O 832 H2O H2 3 0.423800 1.0079 0 - 4513 H2O 833 H2O O1 4 -0.847600 15.9994 0 - 4514 H2O 833 H2O H1 3 0.423800 1.0079 0 - 4515 H2O 833 H2O H2 3 0.423800 1.0079 0 - 4516 H2O 834 H2O O1 4 -0.847600 15.9994 0 - 4517 H2O 834 H2O H1 3 0.423800 1.0079 0 - 4518 H2O 834 H2O H2 3 0.423800 1.0079 0 - 4519 H2O 835 H2O O1 4 -0.847600 15.9994 0 - 4520 H2O 835 H2O H1 3 0.423800 1.0079 0 - 4521 H2O 835 H2O H2 3 0.423800 1.0079 0 - 4522 H2O 836 H2O O1 4 -0.847600 15.9994 0 - 4523 H2O 836 H2O H1 3 0.423800 1.0079 0 - 4524 H2O 836 H2O H2 3 0.423800 1.0079 0 - 4525 H2O 837 H2O O1 4 -0.847600 15.9994 0 - 4526 H2O 837 H2O H1 3 0.423800 1.0079 0 - 4527 H2O 837 H2O H2 3 0.423800 1.0079 0 - 4528 H2O 838 H2O O1 4 -0.847600 15.9994 0 - 4529 H2O 838 H2O H1 3 0.423800 1.0079 0 - 4530 H2O 838 H2O H2 3 0.423800 1.0079 0 - 4531 H2O 839 H2O O1 4 -0.847600 15.9994 0 - 4532 H2O 839 H2O H1 3 0.423800 1.0079 0 - 4533 H2O 839 H2O H2 3 0.423800 1.0079 0 - 4534 H2O 840 H2O O1 4 -0.847600 15.9994 0 - 4535 H2O 840 H2O H1 3 0.423800 1.0079 0 - 4536 H2O 840 H2O H2 3 0.423800 1.0079 0 - 4537 H2O 841 H2O O1 4 -0.847600 15.9994 0 - 4538 H2O 841 H2O H1 3 0.423800 1.0079 0 - 4539 H2O 841 H2O H2 3 0.423800 1.0079 0 - 4540 H2O 842 H2O O1 4 -0.847600 15.9994 0 - 4541 H2O 842 H2O H1 3 0.423800 1.0079 0 - 4542 H2O 842 H2O H2 3 0.423800 1.0079 0 - 4543 H2O 843 H2O O1 4 -0.847600 15.9994 0 - 4544 H2O 843 H2O H1 3 0.423800 1.0079 0 - 4545 H2O 843 H2O H2 3 0.423800 1.0079 0 - 4546 H2O 844 H2O O1 4 -0.847600 15.9994 0 - 4547 H2O 844 H2O H1 3 0.423800 1.0079 0 - 4548 H2O 844 H2O H2 3 0.423800 1.0079 0 - 4549 H2O 845 H2O O1 4 -0.847600 15.9994 0 - 4550 H2O 845 H2O H1 3 0.423800 1.0079 0 - 4551 H2O 845 H2O H2 3 0.423800 1.0079 0 - 4552 H2O 846 H2O O1 4 -0.847600 15.9994 0 - 4553 H2O 846 H2O H1 3 0.423800 1.0079 0 - 4554 H2O 846 H2O H2 3 0.423800 1.0079 0 - 4555 H2O 847 H2O O1 4 -0.847600 15.9994 0 - 4556 H2O 847 H2O H1 3 0.423800 1.0079 0 - 4557 H2O 847 H2O H2 3 0.423800 1.0079 0 - 4558 H2O 848 H2O O1 4 -0.847600 15.9994 0 - 4559 H2O 848 H2O H1 3 0.423800 1.0079 0 - 4560 H2O 848 H2O H2 3 0.423800 1.0079 0 - 4561 H2O 849 H2O O1 4 -0.847600 15.9994 0 - 4562 H2O 849 H2O H1 3 0.423800 1.0079 0 - 4563 H2O 849 H2O H2 3 0.423800 1.0079 0 - 4564 H2O 850 H2O O1 4 -0.847600 15.9994 0 - 4565 H2O 850 H2O H1 3 0.423800 1.0079 0 - 4566 H2O 850 H2O H2 3 0.423800 1.0079 0 - 4567 H2O 851 H2O O1 4 -0.847600 15.9994 0 - 4568 H2O 851 H2O H1 3 0.423800 1.0079 0 - 4569 H2O 851 H2O H2 3 0.423800 1.0079 0 - 4570 H2O 852 H2O O1 4 -0.847600 15.9994 0 - 4571 H2O 852 H2O H1 3 0.423800 1.0079 0 - 4572 H2O 852 H2O H2 3 0.423800 1.0079 0 - 4573 H2O 853 H2O O1 4 -0.847600 15.9994 0 - 4574 H2O 853 H2O H1 3 0.423800 1.0079 0 - 4575 H2O 853 H2O H2 3 0.423800 1.0079 0 - 4576 H2O 854 H2O O1 4 -0.847600 15.9994 0 - 4577 H2O 854 H2O H1 3 0.423800 1.0079 0 - 4578 H2O 854 H2O H2 3 0.423800 1.0079 0 - 4579 H2O 855 H2O O1 4 -0.847600 15.9994 0 - 4580 H2O 855 H2O H1 3 0.423800 1.0079 0 - 4581 H2O 855 H2O H2 3 0.423800 1.0079 0 - 4582 H2O 856 H2O O1 4 -0.847600 15.9994 0 - 4583 H2O 856 H2O H1 3 0.423800 1.0079 0 - 4584 H2O 856 H2O H2 3 0.423800 1.0079 0 - 4585 H2O 857 H2O O1 4 -0.847600 15.9994 0 - 4586 H2O 857 H2O H1 3 0.423800 1.0079 0 - 4587 H2O 857 H2O H2 3 0.423800 1.0079 0 - 4588 H2O 858 H2O O1 4 -0.847600 15.9994 0 - 4589 H2O 858 H2O H1 3 0.423800 1.0079 0 - 4590 H2O 858 H2O H2 3 0.423800 1.0079 0 - 4591 H2O 859 H2O O1 4 -0.847600 15.9994 0 - 4592 H2O 859 H2O H1 3 0.423800 1.0079 0 - 4593 H2O 859 H2O H2 3 0.423800 1.0079 0 - 4594 H2O 860 H2O O1 4 -0.847600 15.9994 0 - 4595 H2O 860 H2O H1 3 0.423800 1.0079 0 - 4596 H2O 860 H2O H2 3 0.423800 1.0079 0 - 4597 H2O 861 H2O O1 4 -0.847600 15.9994 0 - 4598 H2O 861 H2O H1 3 0.423800 1.0079 0 - 4599 H2O 861 H2O H2 3 0.423800 1.0079 0 - 4600 H2O 862 H2O O1 4 -0.847600 15.9994 0 - 4601 H2O 862 H2O H1 3 0.423800 1.0079 0 - 4602 H2O 862 H2O H2 3 0.423800 1.0079 0 - 4603 H2O 863 H2O O1 4 -0.847600 15.9994 0 - 4604 H2O 863 H2O H1 3 0.423800 1.0079 0 - 4605 H2O 863 H2O H2 3 0.423800 1.0079 0 - 4606 H2O 864 H2O O1 4 -0.847600 15.9994 0 - 4607 H2O 864 H2O H1 3 0.423800 1.0079 0 - 4608 H2O 864 H2O H2 3 0.423800 1.0079 0 - 4609 H2O 865 H2O O1 4 -0.847600 15.9994 0 - 4610 H2O 865 H2O H1 3 0.423800 1.0079 0 - 4611 H2O 865 H2O H2 3 0.423800 1.0079 0 - 4612 H2O 866 H2O O1 4 -0.847600 15.9994 0 - 4613 H2O 866 H2O H1 3 0.423800 1.0079 0 - 4614 H2O 866 H2O H2 3 0.423800 1.0079 0 - 4615 H2O 867 H2O O1 4 -0.847600 15.9994 0 - 4616 H2O 867 H2O H1 3 0.423800 1.0079 0 - 4617 H2O 867 H2O H2 3 0.423800 1.0079 0 - 4618 H2O 868 H2O O1 4 -0.847600 15.9994 0 - 4619 H2O 868 H2O H1 3 0.423800 1.0079 0 - 4620 H2O 868 H2O H2 3 0.423800 1.0079 0 - 4621 H2O 869 H2O O1 4 -0.847600 15.9994 0 - 4622 H2O 869 H2O H1 3 0.423800 1.0079 0 - 4623 H2O 869 H2O H2 3 0.423800 1.0079 0 - 4624 H2O 870 H2O O1 4 -0.847600 15.9994 0 - 4625 H2O 870 H2O H1 3 0.423800 1.0079 0 - 4626 H2O 870 H2O H2 3 0.423800 1.0079 0 - 4627 H2O 871 H2O O1 4 -0.847600 15.9994 0 - 4628 H2O 871 H2O H1 3 0.423800 1.0079 0 - 4629 H2O 871 H2O H2 3 0.423800 1.0079 0 - 4630 H2O 872 H2O O1 4 -0.847600 15.9994 0 - 4631 H2O 872 H2O H1 3 0.423800 1.0079 0 - 4632 H2O 872 H2O H2 3 0.423800 1.0079 0 - 4633 H2O 873 H2O O1 4 -0.847600 15.9994 0 - 4634 H2O 873 H2O H1 3 0.423800 1.0079 0 - 4635 H2O 873 H2O H2 3 0.423800 1.0079 0 - 4636 H2O 874 H2O O1 4 -0.847600 15.9994 0 - 4637 H2O 874 H2O H1 3 0.423800 1.0079 0 - 4638 H2O 874 H2O H2 3 0.423800 1.0079 0 - 4639 H2O 875 H2O O1 4 -0.847600 15.9994 0 - 4640 H2O 875 H2O H1 3 0.423800 1.0079 0 - 4641 H2O 875 H2O H2 3 0.423800 1.0079 0 - 4642 H2O 876 H2O O1 4 -0.847600 15.9994 0 - 4643 H2O 876 H2O H1 3 0.423800 1.0079 0 - 4644 H2O 876 H2O H2 3 0.423800 1.0079 0 - 4645 H2O 877 H2O O1 4 -0.847600 15.9994 0 - 4646 H2O 877 H2O H1 3 0.423800 1.0079 0 - 4647 H2O 877 H2O H2 3 0.423800 1.0079 0 - 4648 H2O 878 H2O O1 4 -0.847600 15.9994 0 - 4649 H2O 878 H2O H1 3 0.423800 1.0079 0 - 4650 H2O 878 H2O H2 3 0.423800 1.0079 0 - 4651 H2O 879 H2O O1 4 -0.847600 15.9994 0 - 4652 H2O 879 H2O H1 3 0.423800 1.0079 0 - 4653 H2O 879 H2O H2 3 0.423800 1.0079 0 - 4654 H2O 880 H2O O1 4 -0.847600 15.9994 0 - 4655 H2O 880 H2O H1 3 0.423800 1.0079 0 - 4656 H2O 880 H2O H2 3 0.423800 1.0079 0 - 4657 H2O 881 H2O O1 4 -0.847600 15.9994 0 - 4658 H2O 881 H2O H1 3 0.423800 1.0079 0 - 4659 H2O 881 H2O H2 3 0.423800 1.0079 0 - 4660 H2O 882 H2O O1 4 -0.847600 15.9994 0 - 4661 H2O 882 H2O H1 3 0.423800 1.0079 0 - 4662 H2O 882 H2O H2 3 0.423800 1.0079 0 - 4663 H2O 883 H2O O1 4 -0.847600 15.9994 0 - 4664 H2O 883 H2O H1 3 0.423800 1.0079 0 - 4665 H2O 883 H2O H2 3 0.423800 1.0079 0 - 4666 H2O 884 H2O O1 4 -0.847600 15.9994 0 - 4667 H2O 884 H2O H1 3 0.423800 1.0079 0 - 4668 H2O 884 H2O H2 3 0.423800 1.0079 0 - 4669 H2O 885 H2O O1 4 -0.847600 15.9994 0 - 4670 H2O 885 H2O H1 3 0.423800 1.0079 0 - 4671 H2O 885 H2O H2 3 0.423800 1.0079 0 - 4672 H2O 886 H2O O1 4 -0.847600 15.9994 0 - 4673 H2O 886 H2O H1 3 0.423800 1.0079 0 - 4674 H2O 886 H2O H2 3 0.423800 1.0079 0 - 4675 H2O 887 H2O O1 4 -0.847600 15.9994 0 - 4676 H2O 887 H2O H1 3 0.423800 1.0079 0 - 4677 H2O 887 H2O H2 3 0.423800 1.0079 0 - 4678 H2O 888 H2O O1 4 -0.847600 15.9994 0 - 4679 H2O 888 H2O H1 3 0.423800 1.0079 0 - 4680 H2O 888 H2O H2 3 0.423800 1.0079 0 - 4681 H2O 889 H2O O1 4 -0.847600 15.9994 0 - 4682 H2O 889 H2O H1 3 0.423800 1.0079 0 - 4683 H2O 889 H2O H2 3 0.423800 1.0079 0 - 4684 H2O 890 H2O O1 4 -0.847600 15.9994 0 - 4685 H2O 890 H2O H1 3 0.423800 1.0079 0 - 4686 H2O 890 H2O H2 3 0.423800 1.0079 0 - 4687 H2O 891 H2O O1 4 -0.847600 15.9994 0 - 4688 H2O 891 H2O H1 3 0.423800 1.0079 0 - 4689 H2O 891 H2O H2 3 0.423800 1.0079 0 - 4690 H2O 892 H2O O1 4 -0.847600 15.9994 0 - 4691 H2O 892 H2O H1 3 0.423800 1.0079 0 - 4692 H2O 892 H2O H2 3 0.423800 1.0079 0 - 4693 H2O 893 H2O O1 4 -0.847600 15.9994 0 - 4694 H2O 893 H2O H1 3 0.423800 1.0079 0 - 4695 H2O 893 H2O H2 3 0.423800 1.0079 0 - 4696 H2O 894 H2O O1 4 -0.847600 15.9994 0 - 4697 H2O 894 H2O H1 3 0.423800 1.0079 0 - 4698 H2O 894 H2O H2 3 0.423800 1.0079 0 - 4699 H2O 895 H2O O1 4 -0.847600 15.9994 0 - 4700 H2O 895 H2O H1 3 0.423800 1.0079 0 - 4701 H2O 895 H2O H2 3 0.423800 1.0079 0 - 4702 H2O 896 H2O O1 4 -0.847600 15.9994 0 - 4703 H2O 896 H2O H1 3 0.423800 1.0079 0 - 4704 H2O 896 H2O H2 3 0.423800 1.0079 0 - 4705 H2O 897 H2O O1 4 -0.847600 15.9994 0 - 4706 H2O 897 H2O H1 3 0.423800 1.0079 0 - 4707 H2O 897 H2O H2 3 0.423800 1.0079 0 - 4708 H2O 898 H2O O1 4 -0.847600 15.9994 0 - 4709 H2O 898 H2O H1 3 0.423800 1.0079 0 - 4710 H2O 898 H2O H2 3 0.423800 1.0079 0 - 4711 H2O 899 H2O O1 4 -0.847600 15.9994 0 - 4712 H2O 899 H2O H1 3 0.423800 1.0079 0 - 4713 H2O 899 H2O H2 3 0.423800 1.0079 0 - 4714 H2O 900 H2O O1 4 -0.847600 15.9994 0 - 4715 H2O 900 H2O H1 3 0.423800 1.0079 0 - 4716 H2O 900 H2O H2 3 0.423800 1.0079 0 - 4717 H2O 901 H2O O1 4 -0.847600 15.9994 0 - 4718 H2O 901 H2O H1 3 0.423800 1.0079 0 - 4719 H2O 901 H2O H2 3 0.423800 1.0079 0 - 4720 H2O 902 H2O O1 4 -0.847600 15.9994 0 - 4721 H2O 902 H2O H1 3 0.423800 1.0079 0 - 4722 H2O 902 H2O H2 3 0.423800 1.0079 0 - 4723 H2O 903 H2O O1 4 -0.847600 15.9994 0 - 4724 H2O 903 H2O H1 3 0.423800 1.0079 0 - 4725 H2O 903 H2O H2 3 0.423800 1.0079 0 - 4726 H2O 904 H2O O1 4 -0.847600 15.9994 0 - 4727 H2O 904 H2O H1 3 0.423800 1.0079 0 - 4728 H2O 904 H2O H2 3 0.423800 1.0079 0 - 4729 H2O 905 H2O O1 4 -0.847600 15.9994 0 - 4730 H2O 905 H2O H1 3 0.423800 1.0079 0 - 4731 H2O 905 H2O H2 3 0.423800 1.0079 0 - 4732 H2O 906 H2O O1 4 -0.847600 15.9994 0 - 4733 H2O 906 H2O H1 3 0.423800 1.0079 0 - 4734 H2O 906 H2O H2 3 0.423800 1.0079 0 - 4735 H2O 907 H2O O1 4 -0.847600 15.9994 0 - 4736 H2O 907 H2O H1 3 0.423800 1.0079 0 - 4737 H2O 907 H2O H2 3 0.423800 1.0079 0 - 4738 H2O 908 H2O O1 4 -0.847600 15.9994 0 - 4739 H2O 908 H2O H1 3 0.423800 1.0079 0 - 4740 H2O 908 H2O H2 3 0.423800 1.0079 0 - 4741 H2O 909 H2O O1 4 -0.847600 15.9994 0 - 4742 H2O 909 H2O H1 3 0.423800 1.0079 0 - 4743 H2O 909 H2O H2 3 0.423800 1.0079 0 - 4744 H2O 910 H2O O1 4 -0.847600 15.9994 0 - 4745 H2O 910 H2O H1 3 0.423800 1.0079 0 - 4746 H2O 910 H2O H2 3 0.423800 1.0079 0 - 4747 H2O 911 H2O O1 4 -0.847600 15.9994 0 - 4748 H2O 911 H2O H1 3 0.423800 1.0079 0 - 4749 H2O 911 H2O H2 3 0.423800 1.0079 0 - 4750 H2O 912 H2O O1 4 -0.847600 15.9994 0 - 4751 H2O 912 H2O H1 3 0.423800 1.0079 0 - 4752 H2O 912 H2O H2 3 0.423800 1.0079 0 - 4753 H2O 913 H2O O1 4 -0.847600 15.9994 0 - 4754 H2O 913 H2O H1 3 0.423800 1.0079 0 - 4755 H2O 913 H2O H2 3 0.423800 1.0079 0 - 4756 H2O 914 H2O O1 4 -0.847600 15.9994 0 - 4757 H2O 914 H2O H1 3 0.423800 1.0079 0 - 4758 H2O 914 H2O H2 3 0.423800 1.0079 0 - 4759 H2O 915 H2O O1 4 -0.847600 15.9994 0 - 4760 H2O 915 H2O H1 3 0.423800 1.0079 0 - 4761 H2O 915 H2O H2 3 0.423800 1.0079 0 - 4762 H2O 916 H2O O1 4 -0.847600 15.9994 0 - 4763 H2O 916 H2O H1 3 0.423800 1.0079 0 - 4764 H2O 916 H2O H2 3 0.423800 1.0079 0 - 4765 H2O 917 H2O O1 4 -0.847600 15.9994 0 - 4766 H2O 917 H2O H1 3 0.423800 1.0079 0 - 4767 H2O 917 H2O H2 3 0.423800 1.0079 0 - 4768 H2O 918 H2O O1 4 -0.847600 15.9994 0 - 4769 H2O 918 H2O H1 3 0.423800 1.0079 0 - 4770 H2O 918 H2O H2 3 0.423800 1.0079 0 - 4771 H2O 919 H2O O1 4 -0.847600 15.9994 0 - 4772 H2O 919 H2O H1 3 0.423800 1.0079 0 - 4773 H2O 919 H2O H2 3 0.423800 1.0079 0 - 4774 H2O 920 H2O O1 4 -0.847600 15.9994 0 - 4775 H2O 920 H2O H1 3 0.423800 1.0079 0 - 4776 H2O 920 H2O H2 3 0.423800 1.0079 0 - 4777 H2O 921 H2O O1 4 -0.847600 15.9994 0 - 4778 H2O 921 H2O H1 3 0.423800 1.0079 0 - 4779 H2O 921 H2O H2 3 0.423800 1.0079 0 - 4780 H2O 922 H2O O1 4 -0.847600 15.9994 0 - 4781 H2O 922 H2O H1 3 0.423800 1.0079 0 - 4782 H2O 922 H2O H2 3 0.423800 1.0079 0 - 4783 H2O 923 H2O O1 4 -0.847600 15.9994 0 - 4784 H2O 923 H2O H1 3 0.423800 1.0079 0 - 4785 H2O 923 H2O H2 3 0.423800 1.0079 0 - 4786 H2O 924 H2O O1 4 -0.847600 15.9994 0 - 4787 H2O 924 H2O H1 3 0.423800 1.0079 0 - 4788 H2O 924 H2O H2 3 0.423800 1.0079 0 - 4789 H2O 925 H2O O1 4 -0.847600 15.9994 0 - 4790 H2O 925 H2O H1 3 0.423800 1.0079 0 - 4791 H2O 925 H2O H2 3 0.423800 1.0079 0 - 4792 H2O 926 H2O O1 4 -0.847600 15.9994 0 - 4793 H2O 926 H2O H1 3 0.423800 1.0079 0 - 4794 H2O 926 H2O H2 3 0.423800 1.0079 0 - 4795 H2O 927 H2O O1 4 -0.847600 15.9994 0 - 4796 H2O 927 H2O H1 3 0.423800 1.0079 0 - 4797 H2O 927 H2O H2 3 0.423800 1.0079 0 - 4798 H2O 928 H2O O1 4 -0.847600 15.9994 0 - 4799 H2O 928 H2O H1 3 0.423800 1.0079 0 - 4800 H2O 928 H2O H2 3 0.423800 1.0079 0 - 4801 H2O 929 H2O O1 4 -0.847600 15.9994 0 - 4802 H2O 929 H2O H1 3 0.423800 1.0079 0 - 4803 H2O 929 H2O H2 3 0.423800 1.0079 0 - 4804 H2O 930 H2O O1 4 -0.847600 15.9994 0 - 4805 H2O 930 H2O H1 3 0.423800 1.0079 0 - 4806 H2O 930 H2O H2 3 0.423800 1.0079 0 - 4807 H2O 931 H2O O1 4 -0.847600 15.9994 0 - 4808 H2O 931 H2O H1 3 0.423800 1.0079 0 - 4809 H2O 931 H2O H2 3 0.423800 1.0079 0 - 4810 H2O 932 H2O O1 4 -0.847600 15.9994 0 - 4811 H2O 932 H2O H1 3 0.423800 1.0079 0 - 4812 H2O 932 H2O H2 3 0.423800 1.0079 0 - 4813 H2O 933 H2O O1 4 -0.847600 15.9994 0 - 4814 H2O 933 H2O H1 3 0.423800 1.0079 0 - 4815 H2O 933 H2O H2 3 0.423800 1.0079 0 - 4816 H2O 934 H2O O1 4 -0.847600 15.9994 0 - 4817 H2O 934 H2O H1 3 0.423800 1.0079 0 - 4818 H2O 934 H2O H2 3 0.423800 1.0079 0 - 4819 H2O 935 H2O O1 4 -0.847600 15.9994 0 - 4820 H2O 935 H2O H1 3 0.423800 1.0079 0 - 4821 H2O 935 H2O H2 3 0.423800 1.0079 0 - 4822 H2O 936 H2O O1 4 -0.847600 15.9994 0 - 4823 H2O 936 H2O H1 3 0.423800 1.0079 0 - 4824 H2O 936 H2O H2 3 0.423800 1.0079 0 - 4825 H2O 937 H2O O1 4 -0.847600 15.9994 0 - 4826 H2O 937 H2O H1 3 0.423800 1.0079 0 - 4827 H2O 937 H2O H2 3 0.423800 1.0079 0 - 4828 H2O 938 H2O O1 4 -0.847600 15.9994 0 - 4829 H2O 938 H2O H1 3 0.423800 1.0079 0 - 4830 H2O 938 H2O H2 3 0.423800 1.0079 0 - 4831 H2O 939 H2O O1 4 -0.847600 15.9994 0 - 4832 H2O 939 H2O H1 3 0.423800 1.0079 0 - 4833 H2O 939 H2O H2 3 0.423800 1.0079 0 - 4834 H2O 940 H2O O1 4 -0.847600 15.9994 0 - 4835 H2O 940 H2O H1 3 0.423800 1.0079 0 - 4836 H2O 940 H2O H2 3 0.423800 1.0079 0 - 4837 H2O 941 H2O O1 4 -0.847600 15.9994 0 - 4838 H2O 941 H2O H1 3 0.423800 1.0079 0 - 4839 H2O 941 H2O H2 3 0.423800 1.0079 0 - 4840 H2O 942 H2O O1 4 -0.847600 15.9994 0 - 4841 H2O 942 H2O H1 3 0.423800 1.0079 0 - 4842 H2O 942 H2O H2 3 0.423800 1.0079 0 - 4843 H2O 943 H2O O1 4 -0.847600 15.9994 0 - 4844 H2O 943 H2O H1 3 0.423800 1.0079 0 - 4845 H2O 943 H2O H2 3 0.423800 1.0079 0 - 4846 H2O 944 H2O O1 4 -0.847600 15.9994 0 - 4847 H2O 944 H2O H1 3 0.423800 1.0079 0 - 4848 H2O 944 H2O H2 3 0.423800 1.0079 0 - 4849 H2O 945 H2O O1 4 -0.847600 15.9994 0 - 4850 H2O 945 H2O H1 3 0.423800 1.0079 0 - 4851 H2O 945 H2O H2 3 0.423800 1.0079 0 - 4852 H2O 946 H2O O1 4 -0.847600 15.9994 0 - 4853 H2O 946 H2O H1 3 0.423800 1.0079 0 - 4854 H2O 946 H2O H2 3 0.423800 1.0079 0 - 4855 H2O 947 H2O O1 4 -0.847600 15.9994 0 - 4856 H2O 947 H2O H1 3 0.423800 1.0079 0 - 4857 H2O 947 H2O H2 3 0.423800 1.0079 0 - 4858 H2O 948 H2O O1 4 -0.847600 15.9994 0 - 4859 H2O 948 H2O H1 3 0.423800 1.0079 0 - 4860 H2O 948 H2O H2 3 0.423800 1.0079 0 - 4861 H2O 949 H2O O1 4 -0.847600 15.9994 0 - 4862 H2O 949 H2O H1 3 0.423800 1.0079 0 - 4863 H2O 949 H2O H2 3 0.423800 1.0079 0 - 4864 H2O 950 H2O O1 4 -0.847600 15.9994 0 - 4865 H2O 950 H2O H1 3 0.423800 1.0079 0 - 4866 H2O 950 H2O H2 3 0.423800 1.0079 0 - 4867 H2O 951 H2O O1 4 -0.847600 15.9994 0 - 4868 H2O 951 H2O H1 3 0.423800 1.0079 0 - 4869 H2O 951 H2O H2 3 0.423800 1.0079 0 - 4870 H2O 952 H2O O1 4 -0.847600 15.9994 0 - 4871 H2O 952 H2O H1 3 0.423800 1.0079 0 - 4872 H2O 952 H2O H2 3 0.423800 1.0079 0 - 4873 H2O 953 H2O O1 4 -0.847600 15.9994 0 - 4874 H2O 953 H2O H1 3 0.423800 1.0079 0 - 4875 H2O 953 H2O H2 3 0.423800 1.0079 0 - 4876 H2O 954 H2O O1 4 -0.847600 15.9994 0 - 4877 H2O 954 H2O H1 3 0.423800 1.0079 0 - 4878 H2O 954 H2O H2 3 0.423800 1.0079 0 - 4879 H2O 955 H2O O1 4 -0.847600 15.9994 0 - 4880 H2O 955 H2O H1 3 0.423800 1.0079 0 - 4881 H2O 955 H2O H2 3 0.423800 1.0079 0 - 4882 H2O 956 H2O O1 4 -0.847600 15.9994 0 - 4883 H2O 956 H2O H1 3 0.423800 1.0079 0 - 4884 H2O 956 H2O H2 3 0.423800 1.0079 0 - 4885 H2O 957 H2O O1 4 -0.847600 15.9994 0 - 4886 H2O 957 H2O H1 3 0.423800 1.0079 0 - 4887 H2O 957 H2O H2 3 0.423800 1.0079 0 - 4888 H2O 958 H2O O1 4 -0.847600 15.9994 0 - 4889 H2O 958 H2O H1 3 0.423800 1.0079 0 - 4890 H2O 958 H2O H2 3 0.423800 1.0079 0 - 4891 H2O 959 H2O O1 4 -0.847600 15.9994 0 - 4892 H2O 959 H2O H1 3 0.423800 1.0079 0 - 4893 H2O 959 H2O H2 3 0.423800 1.0079 0 - 4894 H2O 960 H2O O1 4 -0.847600 15.9994 0 - 4895 H2O 960 H2O H1 3 0.423800 1.0079 0 - 4896 H2O 960 H2O H2 3 0.423800 1.0079 0 - 4897 H2O 961 H2O O1 4 -0.847600 15.9994 0 - 4898 H2O 961 H2O H1 3 0.423800 1.0079 0 - 4899 H2O 961 H2O H2 3 0.423800 1.0079 0 - 4900 H2O 962 H2O O1 4 -0.847600 15.9994 0 - 4901 H2O 962 H2O H1 3 0.423800 1.0079 0 - 4902 H2O 962 H2O H2 3 0.423800 1.0079 0 - 4903 H2O 963 H2O O1 4 -0.847600 15.9994 0 - 4904 H2O 963 H2O H1 3 0.423800 1.0079 0 - 4905 H2O 963 H2O H2 3 0.423800 1.0079 0 - 4906 H2O 964 H2O O1 4 -0.847600 15.9994 0 - 4907 H2O 964 H2O H1 3 0.423800 1.0079 0 - 4908 H2O 964 H2O H2 3 0.423800 1.0079 0 - 4909 H2O 965 H2O O1 4 -0.847600 15.9994 0 - 4910 H2O 965 H2O H1 3 0.423800 1.0079 0 - 4911 H2O 965 H2O H2 3 0.423800 1.0079 0 - 4912 H2O 966 H2O O1 4 -0.847600 15.9994 0 - 4913 H2O 966 H2O H1 3 0.423800 1.0079 0 - 4914 H2O 966 H2O H2 3 0.423800 1.0079 0 - 4915 H2O 967 H2O O1 4 -0.847600 15.9994 0 - 4916 H2O 967 H2O H1 3 0.423800 1.0079 0 - 4917 H2O 967 H2O H2 3 0.423800 1.0079 0 - 4918 H2O 968 H2O O1 4 -0.847600 15.9994 0 - 4919 H2O 968 H2O H1 3 0.423800 1.0079 0 - 4920 H2O 968 H2O H2 3 0.423800 1.0079 0 - 4921 H2O 969 H2O O1 4 -0.847600 15.9994 0 - 4922 H2O 969 H2O H1 3 0.423800 1.0079 0 - 4923 H2O 969 H2O H2 3 0.423800 1.0079 0 - 4924 H2O 970 H2O O1 4 -0.847600 15.9994 0 - 4925 H2O 970 H2O H1 3 0.423800 1.0079 0 - 4926 H2O 970 H2O H2 3 0.423800 1.0079 0 - 4927 H2O 971 H2O O1 4 -0.847600 15.9994 0 - 4928 H2O 971 H2O H1 3 0.423800 1.0079 0 - 4929 H2O 971 H2O H2 3 0.423800 1.0079 0 - 4930 H2O 972 H2O O1 4 -0.847600 15.9994 0 - 4931 H2O 972 H2O H1 3 0.423800 1.0079 0 - 4932 H2O 972 H2O H2 3 0.423800 1.0079 0 - 4933 H2O 973 H2O O1 4 -0.847600 15.9994 0 - 4934 H2O 973 H2O H1 3 0.423800 1.0079 0 - 4935 H2O 973 H2O H2 3 0.423800 1.0079 0 - 4936 H2O 974 H2O O1 4 -0.847600 15.9994 0 - 4937 H2O 974 H2O H1 3 0.423800 1.0079 0 - 4938 H2O 974 H2O H2 3 0.423800 1.0079 0 - 4939 H2O 975 H2O O1 4 -0.847600 15.9994 0 - 4940 H2O 975 H2O H1 3 0.423800 1.0079 0 - 4941 H2O 975 H2O H2 3 0.423800 1.0079 0 - 4942 H2O 976 H2O O1 4 -0.847600 15.9994 0 - 4943 H2O 976 H2O H1 3 0.423800 1.0079 0 - 4944 H2O 976 H2O H2 3 0.423800 1.0079 0 - 4945 H2O 977 H2O O1 4 -0.847600 15.9994 0 - 4946 H2O 977 H2O H1 3 0.423800 1.0079 0 - 4947 H2O 977 H2O H2 3 0.423800 1.0079 0 - 4948 H2O 978 H2O O1 4 -0.847600 15.9994 0 - 4949 H2O 978 H2O H1 3 0.423800 1.0079 0 - 4950 H2O 978 H2O H2 3 0.423800 1.0079 0 - 4951 H2O 979 H2O O1 4 -0.847600 15.9994 0 - 4952 H2O 979 H2O H1 3 0.423800 1.0079 0 - 4953 H2O 979 H2O H2 3 0.423800 1.0079 0 - 4954 H2O 980 H2O O1 4 -0.847600 15.9994 0 - 4955 H2O 980 H2O H1 3 0.423800 1.0079 0 - 4956 H2O 980 H2O H2 3 0.423800 1.0079 0 - 4957 H2O 981 H2O O1 4 -0.847600 15.9994 0 - 4958 H2O 981 H2O H1 3 0.423800 1.0079 0 - 4959 H2O 981 H2O H2 3 0.423800 1.0079 0 - 4960 H2O 982 H2O O1 4 -0.847600 15.9994 0 - 4961 H2O 982 H2O H1 3 0.423800 1.0079 0 - 4962 H2O 982 H2O H2 3 0.423800 1.0079 0 - 4963 H2O 983 H2O O1 4 -0.847600 15.9994 0 - 4964 H2O 983 H2O H1 3 0.423800 1.0079 0 - 4965 H2O 983 H2O H2 3 0.423800 1.0079 0 - 4966 H2O 984 H2O O1 4 -0.847600 15.9994 0 - 4967 H2O 984 H2O H1 3 0.423800 1.0079 0 - 4968 H2O 984 H2O H2 3 0.423800 1.0079 0 - 4969 H2O 985 H2O O1 4 -0.847600 15.9994 0 - 4970 H2O 985 H2O H1 3 0.423800 1.0079 0 - 4971 H2O 985 H2O H2 3 0.423800 1.0079 0 - 4972 H2O 986 H2O O1 4 -0.847600 15.9994 0 - 4973 H2O 986 H2O H1 3 0.423800 1.0079 0 - 4974 H2O 986 H2O H2 3 0.423800 1.0079 0 - 4975 H2O 987 H2O O1 4 -0.847600 15.9994 0 - 4976 H2O 987 H2O H1 3 0.423800 1.0079 0 - 4977 H2O 987 H2O H2 3 0.423800 1.0079 0 - 4978 H2O 988 H2O O1 4 -0.847600 15.9994 0 - 4979 H2O 988 H2O H1 3 0.423800 1.0079 0 - 4980 H2O 988 H2O H2 3 0.423800 1.0079 0 - 4981 H2O 989 H2O O1 4 -0.847600 15.9994 0 - 4982 H2O 989 H2O H1 3 0.423800 1.0079 0 - 4983 H2O 989 H2O H2 3 0.423800 1.0079 0 - 4984 H2O 990 H2O O1 4 -0.847600 15.9994 0 - 4985 H2O 990 H2O H1 3 0.423800 1.0079 0 - 4986 H2O 990 H2O H2 3 0.423800 1.0079 0 - 4987 H2O 991 H2O O1 4 -0.847600 15.9994 0 - 4988 H2O 991 H2O H1 3 0.423800 1.0079 0 - 4989 H2O 991 H2O H2 3 0.423800 1.0079 0 - 4990 H2O 992 H2O O1 4 -0.847600 15.9994 0 - 4991 H2O 992 H2O H1 3 0.423800 1.0079 0 - 4992 H2O 992 H2O H2 3 0.423800 1.0079 0 - 4993 H2O 993 H2O O1 4 -0.847600 15.9994 0 - 4994 H2O 993 H2O H1 3 0.423800 1.0079 0 - 4995 H2O 993 H2O H2 3 0.423800 1.0079 0 - 4996 H2O 994 H2O O1 4 -0.847600 15.9994 0 - 4997 H2O 994 H2O H1 3 0.423800 1.0079 0 - 4998 H2O 994 H2O H2 3 0.423800 1.0079 0 - 4999 H2O 995 H2O O1 4 -0.847600 15.9994 0 - 5000 H2O 995 H2O H1 3 0.423800 1.0079 0 - 5001 H2O 995 H2O H2 3 0.423800 1.0079 0 - 5002 H2O 996 H2O O1 4 -0.847600 15.9994 0 - 5003 H2O 996 H2O H1 3 0.423800 1.0079 0 - 5004 H2O 996 H2O H2 3 0.423800 1.0079 0 - 5005 H2O 997 H2O O1 4 -0.847600 15.9994 0 - 5006 H2O 997 H2O H1 3 0.423800 1.0079 0 - 5007 H2O 997 H2O H2 3 0.423800 1.0079 0 - 5008 H2O 998 H2O O1 4 -0.847600 15.9994 0 - 5009 H2O 998 H2O H1 3 0.423800 1.0079 0 - 5010 H2O 998 H2O H2 3 0.423800 1.0079 0 - 5011 H2O 999 H2O O1 4 -0.847600 15.9994 0 - 5012 H2O 999 H2O H1 3 0.423800 1.0079 0 - 5013 H2O 999 H2O H2 3 0.423800 1.0079 0 - 5014 H2O 1000 H2O O1 4 -0.847600 15.9994 0 - 5015 H2O 1000 H2O H1 3 0.423800 1.0079 0 - 5016 H2O 1000 H2O H2 3 0.423800 1.0079 0 - 5017 H2O 1001 H2O O1 4 -0.847600 15.9994 0 - 5018 H2O 1001 H2O H1 3 0.423800 1.0079 0 - 5019 H2O 1001 H2O H2 3 0.423800 1.0079 0 - 5020 H2O 1002 H2O O1 4 -0.847600 15.9994 0 - 5021 H2O 1002 H2O H1 3 0.423800 1.0079 0 - 5022 H2O 1002 H2O H2 3 0.423800 1.0079 0 - 5023 H2O 1003 H2O O1 4 -0.847600 15.9994 0 - 5024 H2O 1003 H2O H1 3 0.423800 1.0079 0 - 5025 H2O 1003 H2O H2 3 0.423800 1.0079 0 - 5026 H2O 1004 H2O O1 4 -0.847600 15.9994 0 - 5027 H2O 1004 H2O H1 3 0.423800 1.0079 0 - 5028 H2O 1004 H2O H2 3 0.423800 1.0079 0 - 5029 H2O 1005 H2O O1 4 -0.847600 15.9994 0 - 5030 H2O 1005 H2O H1 3 0.423800 1.0079 0 - 5031 H2O 1005 H2O H2 3 0.423800 1.0079 0 - 5032 H2O 1006 H2O O1 4 -0.847600 15.9994 0 - 5033 H2O 1006 H2O H1 3 0.423800 1.0079 0 - 5034 H2O 1006 H2O H2 3 0.423800 1.0079 0 - 5035 H2O 1007 H2O O1 4 -0.847600 15.9994 0 - 5036 H2O 1007 H2O H1 3 0.423800 1.0079 0 - 5037 H2O 1007 H2O H2 3 0.423800 1.0079 0 - 5038 H2O 1008 H2O O1 4 -0.847600 15.9994 0 - 5039 H2O 1008 H2O H1 3 0.423800 1.0079 0 - 5040 H2O 1008 H2O H2 3 0.423800 1.0079 0 - 5041 H2O 1009 H2O O1 4 -0.847600 15.9994 0 - 5042 H2O 1009 H2O H1 3 0.423800 1.0079 0 - 5043 H2O 1009 H2O H2 3 0.423800 1.0079 0 - 5044 H2O 1010 H2O O1 4 -0.847600 15.9994 0 - 5045 H2O 1010 H2O H1 3 0.423800 1.0079 0 - 5046 H2O 1010 H2O H2 3 0.423800 1.0079 0 - 5047 H2O 1011 H2O O1 4 -0.847600 15.9994 0 - 5048 H2O 1011 H2O H1 3 0.423800 1.0079 0 - 5049 H2O 1011 H2O H2 3 0.423800 1.0079 0 - 5050 H2O 1012 H2O O1 4 -0.847600 15.9994 0 - 5051 H2O 1012 H2O H1 3 0.423800 1.0079 0 - 5052 H2O 1012 H2O H2 3 0.423800 1.0079 0 - 5053 H2O 1013 H2O O1 4 -0.847600 15.9994 0 - 5054 H2O 1013 H2O H1 3 0.423800 1.0079 0 - 5055 H2O 1013 H2O H2 3 0.423800 1.0079 0 - 5056 H2O 1014 H2O O1 4 -0.847600 15.9994 0 - 5057 H2O 1014 H2O H1 3 0.423800 1.0079 0 - 5058 H2O 1014 H2O H2 3 0.423800 1.0079 0 - 5059 H2O 1015 H2O O1 4 -0.847600 15.9994 0 - 5060 H2O 1015 H2O H1 3 0.423800 1.0079 0 - 5061 H2O 1015 H2O H2 3 0.423800 1.0079 0 - 5062 H2O 1016 H2O O1 4 -0.847600 15.9994 0 - 5063 H2O 1016 H2O H1 3 0.423800 1.0079 0 - 5064 H2O 1016 H2O H2 3 0.423800 1.0079 0 - 5065 H2O 1017 H2O O1 4 -0.847600 15.9994 0 - 5066 H2O 1017 H2O H1 3 0.423800 1.0079 0 - 5067 H2O 1017 H2O H2 3 0.423800 1.0079 0 - 5068 H2O 1018 H2O O1 4 -0.847600 15.9994 0 - 5069 H2O 1018 H2O H1 3 0.423800 1.0079 0 - 5070 H2O 1018 H2O H2 3 0.423800 1.0079 0 - 5071 H2O 1019 H2O O1 4 -0.847600 15.9994 0 - 5072 H2O 1019 H2O H1 3 0.423800 1.0079 0 - 5073 H2O 1019 H2O H2 3 0.423800 1.0079 0 - 5074 H2O 1020 H2O O1 4 -0.847600 15.9994 0 - 5075 H2O 1020 H2O H1 3 0.423800 1.0079 0 - 5076 H2O 1020 H2O H2 3 0.423800 1.0079 0 - 5077 H2O 1021 H2O O1 4 -0.847600 15.9994 0 - 5078 H2O 1021 H2O H1 3 0.423800 1.0079 0 - 5079 H2O 1021 H2O H2 3 0.423800 1.0079 0 - 5080 H2O 1022 H2O O1 4 -0.847600 15.9994 0 - 5081 H2O 1022 H2O H1 3 0.423800 1.0079 0 - 5082 H2O 1022 H2O H2 3 0.423800 1.0079 0 - 5083 H2O 1023 H2O O1 4 -0.847600 15.9994 0 - 5084 H2O 1023 H2O H1 3 0.423800 1.0079 0 - 5085 H2O 1023 H2O H2 3 0.423800 1.0079 0 - 5086 H2O 1024 H2O O1 4 -0.847600 15.9994 0 - 5087 H2O 1024 H2O H1 3 0.423800 1.0079 0 - 5088 H2O 1024 H2O H2 3 0.423800 1.0079 0 - 5089 H2O 1025 H2O O1 4 -0.847600 15.9994 0 - 5090 H2O 1025 H2O H1 3 0.423800 1.0079 0 - 5091 H2O 1025 H2O H2 3 0.423800 1.0079 0 - 5092 H2O 1026 H2O O1 4 -0.847600 15.9994 0 - 5093 H2O 1026 H2O H1 3 0.423800 1.0079 0 - 5094 H2O 1026 H2O H2 3 0.423800 1.0079 0 - 5095 H2O 1027 H2O O1 4 -0.847600 15.9994 0 - 5096 H2O 1027 H2O H1 3 0.423800 1.0079 0 - 5097 H2O 1027 H2O H2 3 0.423800 1.0079 0 - 5098 H2O 1028 H2O O1 4 -0.847600 15.9994 0 - 5099 H2O 1028 H2O H1 3 0.423800 1.0079 0 - 5100 H2O 1028 H2O H2 3 0.423800 1.0079 0 - 5101 H2O 1029 H2O O1 4 -0.847600 15.9994 0 - 5102 H2O 1029 H2O H1 3 0.423800 1.0079 0 - 5103 H2O 1029 H2O H2 3 0.423800 1.0079 0 - 5104 H2O 1030 H2O O1 4 -0.847600 15.9994 0 - 5105 H2O 1030 H2O H1 3 0.423800 1.0079 0 - 5106 H2O 1030 H2O H2 3 0.423800 1.0079 0 - 5107 H2O 1031 H2O O1 4 -0.847600 15.9994 0 - 5108 H2O 1031 H2O H1 3 0.423800 1.0079 0 - 5109 H2O 1031 H2O H2 3 0.423800 1.0079 0 - 5110 H2O 1032 H2O O1 4 -0.847600 15.9994 0 - 5111 H2O 1032 H2O H1 3 0.423800 1.0079 0 - 5112 H2O 1032 H2O H2 3 0.423800 1.0079 0 - 5113 H2O 1033 H2O O1 4 -0.847600 15.9994 0 - 5114 H2O 1033 H2O H1 3 0.423800 1.0079 0 - 5115 H2O 1033 H2O H2 3 0.423800 1.0079 0 - 5116 H2O 1034 H2O O1 4 -0.847600 15.9994 0 - 5117 H2O 1034 H2O H1 3 0.423800 1.0079 0 - 5118 H2O 1034 H2O H2 3 0.423800 1.0079 0 - 5119 H2O 1035 H2O O1 4 -0.847600 15.9994 0 - 5120 H2O 1035 H2O H1 3 0.423800 1.0079 0 - 5121 H2O 1035 H2O H2 3 0.423800 1.0079 0 - 5122 H2O 1036 H2O O1 4 -0.847600 15.9994 0 - 5123 H2O 1036 H2O H1 3 0.423800 1.0079 0 - 5124 H2O 1036 H2O H2 3 0.423800 1.0079 0 - 5125 H2O 1037 H2O O1 4 -0.847600 15.9994 0 - 5126 H2O 1037 H2O H1 3 0.423800 1.0079 0 - 5127 H2O 1037 H2O H2 3 0.423800 1.0079 0 - 5128 H2O 1038 H2O O1 4 -0.847600 15.9994 0 - 5129 H2O 1038 H2O H1 3 0.423800 1.0079 0 - 5130 H2O 1038 H2O H2 3 0.423800 1.0079 0 - 5131 H2O 1039 H2O O1 4 -0.847600 15.9994 0 - 5132 H2O 1039 H2O H1 3 0.423800 1.0079 0 - 5133 H2O 1039 H2O H2 3 0.423800 1.0079 0 - 5134 H2O 1040 H2O O1 4 -0.847600 15.9994 0 - 5135 H2O 1040 H2O H1 3 0.423800 1.0079 0 - 5136 H2O 1040 H2O H2 3 0.423800 1.0079 0 - 5137 H2O 1041 H2O O1 4 -0.847600 15.9994 0 - 5138 H2O 1041 H2O H1 3 0.423800 1.0079 0 - 5139 H2O 1041 H2O H2 3 0.423800 1.0079 0 - 5140 H2O 1042 H2O O1 4 -0.847600 15.9994 0 - 5141 H2O 1042 H2O H1 3 0.423800 1.0079 0 - 5142 H2O 1042 H2O H2 3 0.423800 1.0079 0 - 5143 H2O 1043 H2O O1 4 -0.847600 15.9994 0 - 5144 H2O 1043 H2O H1 3 0.423800 1.0079 0 - 5145 H2O 1043 H2O H2 3 0.423800 1.0079 0 - 5146 H2O 1044 H2O O1 4 -0.847600 15.9994 0 - 5147 H2O 1044 H2O H1 3 0.423800 1.0079 0 - 5148 H2O 1044 H2O H2 3 0.423800 1.0079 0 - 5149 H2O 1045 H2O O1 4 -0.847600 15.9994 0 - 5150 H2O 1045 H2O H1 3 0.423800 1.0079 0 - 5151 H2O 1045 H2O H2 3 0.423800 1.0079 0 - 5152 H2O 1046 H2O O1 4 -0.847600 15.9994 0 - 5153 H2O 1046 H2O H1 3 0.423800 1.0079 0 - 5154 H2O 1046 H2O H2 3 0.423800 1.0079 0 - 5155 H2O 1047 H2O O1 4 -0.847600 15.9994 0 - 5156 H2O 1047 H2O H1 3 0.423800 1.0079 0 - 5157 H2O 1047 H2O H2 3 0.423800 1.0079 0 - 5158 H2O 1048 H2O O1 4 -0.847600 15.9994 0 - 5159 H2O 1048 H2O H1 3 0.423800 1.0079 0 - 5160 H2O 1048 H2O H2 3 0.423800 1.0079 0 - 5161 H2O 1049 H2O O1 4 -0.847600 15.9994 0 - 5162 H2O 1049 H2O H1 3 0.423800 1.0079 0 - 5163 H2O 1049 H2O H2 3 0.423800 1.0079 0 - 5164 H2O 1050 H2O O1 4 -0.847600 15.9994 0 - 5165 H2O 1050 H2O H1 3 0.423800 1.0079 0 - 5166 H2O 1050 H2O H2 3 0.423800 1.0079 0 - 5167 H2O 1051 H2O O1 4 -0.847600 15.9994 0 - 5168 H2O 1051 H2O H1 3 0.423800 1.0079 0 - 5169 H2O 1051 H2O H2 3 0.423800 1.0079 0 - 5170 H2O 1052 H2O O1 4 -0.847600 15.9994 0 - 5171 H2O 1052 H2O H1 3 0.423800 1.0079 0 - 5172 H2O 1052 H2O H2 3 0.423800 1.0079 0 - 5173 H2O 1053 H2O O1 4 -0.847600 15.9994 0 - 5174 H2O 1053 H2O H1 3 0.423800 1.0079 0 - 5175 H2O 1053 H2O H2 3 0.423800 1.0079 0 - 5176 H2O 1054 H2O O1 4 -0.847600 15.9994 0 - 5177 H2O 1054 H2O H1 3 0.423800 1.0079 0 - 5178 H2O 1054 H2O H2 3 0.423800 1.0079 0 - 5179 H2O 1055 H2O O1 4 -0.847600 15.9994 0 - 5180 H2O 1055 H2O H1 3 0.423800 1.0079 0 - 5181 H2O 1055 H2O H2 3 0.423800 1.0079 0 - 5182 H2O 1056 H2O O1 4 -0.847600 15.9994 0 - 5183 H2O 1056 H2O H1 3 0.423800 1.0079 0 - 5184 H2O 1056 H2O H2 3 0.423800 1.0079 0 - 5185 H2O 1057 H2O O1 4 -0.847600 15.9994 0 - 5186 H2O 1057 H2O H1 3 0.423800 1.0079 0 - 5187 H2O 1057 H2O H2 3 0.423800 1.0079 0 - 5188 H2O 1058 H2O O1 4 -0.847600 15.9994 0 - 5189 H2O 1058 H2O H1 3 0.423800 1.0079 0 - 5190 H2O 1058 H2O H2 3 0.423800 1.0079 0 - 5191 H2O 1059 H2O O1 4 -0.847600 15.9994 0 - 5192 H2O 1059 H2O H1 3 0.423800 1.0079 0 - 5193 H2O 1059 H2O H2 3 0.423800 1.0079 0 - 5194 H2O 1060 H2O O1 4 -0.847600 15.9994 0 - 5195 H2O 1060 H2O H1 3 0.423800 1.0079 0 - 5196 H2O 1060 H2O H2 3 0.423800 1.0079 0 - 5197 H2O 1061 H2O O1 4 -0.847600 15.9994 0 - 5198 H2O 1061 H2O H1 3 0.423800 1.0079 0 - 5199 H2O 1061 H2O H2 3 0.423800 1.0079 0 - 5200 H2O 1062 H2O O1 4 -0.847600 15.9994 0 - 5201 H2O 1062 H2O H1 3 0.423800 1.0079 0 - 5202 H2O 1062 H2O H2 3 0.423800 1.0079 0 - 5203 H2O 1063 H2O O1 4 -0.847600 15.9994 0 - 5204 H2O 1063 H2O H1 3 0.423800 1.0079 0 - 5205 H2O 1063 H2O H2 3 0.423800 1.0079 0 - 5206 H2O 1064 H2O O1 4 -0.847600 15.9994 0 - 5207 H2O 1064 H2O H1 3 0.423800 1.0079 0 - 5208 H2O 1064 H2O H2 3 0.423800 1.0079 0 - 5209 H2O 1065 H2O O1 4 -0.847600 15.9994 0 - 5210 H2O 1065 H2O H1 3 0.423800 1.0079 0 - 5211 H2O 1065 H2O H2 3 0.423800 1.0079 0 - 5212 H2O 1066 H2O O1 4 -0.847600 15.9994 0 - 5213 H2O 1066 H2O H1 3 0.423800 1.0079 0 - 5214 H2O 1066 H2O H2 3 0.423800 1.0079 0 - 5215 H2O 1067 H2O O1 4 -0.847600 15.9994 0 - 5216 H2O 1067 H2O H1 3 0.423800 1.0079 0 - 5217 H2O 1067 H2O H2 3 0.423800 1.0079 0 - 5218 H2O 1068 H2O O1 4 -0.847600 15.9994 0 - 5219 H2O 1068 H2O H1 3 0.423800 1.0079 0 - 5220 H2O 1068 H2O H2 3 0.423800 1.0079 0 - 5221 H2O 1069 H2O O1 4 -0.847600 15.9994 0 - 5222 H2O 1069 H2O H1 3 0.423800 1.0079 0 - 5223 H2O 1069 H2O H2 3 0.423800 1.0079 0 - 5224 H2O 1070 H2O O1 4 -0.847600 15.9994 0 - 5225 H2O 1070 H2O H1 3 0.423800 1.0079 0 - 5226 H2O 1070 H2O H2 3 0.423800 1.0079 0 - 5227 H2O 1071 H2O O1 4 -0.847600 15.9994 0 - 5228 H2O 1071 H2O H1 3 0.423800 1.0079 0 - 5229 H2O 1071 H2O H2 3 0.423800 1.0079 0 - 5230 H2O 1072 H2O O1 4 -0.847600 15.9994 0 - 5231 H2O 1072 H2O H1 3 0.423800 1.0079 0 - 5232 H2O 1072 H2O H2 3 0.423800 1.0079 0 - 5233 H2O 1073 H2O O1 4 -0.847600 15.9994 0 - 5234 H2O 1073 H2O H1 3 0.423800 1.0079 0 - 5235 H2O 1073 H2O H2 3 0.423800 1.0079 0 - 5236 H2O 1074 H2O O1 4 -0.847600 15.9994 0 - 5237 H2O 1074 H2O H1 3 0.423800 1.0079 0 - 5238 H2O 1074 H2O H2 3 0.423800 1.0079 0 - 5239 H2O 1075 H2O O1 4 -0.847600 15.9994 0 - 5240 H2O 1075 H2O H1 3 0.423800 1.0079 0 - 5241 H2O 1075 H2O H2 3 0.423800 1.0079 0 - 5242 H2O 1076 H2O O1 4 -0.847600 15.9994 0 - 5243 H2O 1076 H2O H1 3 0.423800 1.0079 0 - 5244 H2O 1076 H2O H2 3 0.423800 1.0079 0 - 5245 H2O 1077 H2O O1 4 -0.847600 15.9994 0 - 5246 H2O 1077 H2O H1 3 0.423800 1.0079 0 - 5247 H2O 1077 H2O H2 3 0.423800 1.0079 0 - 5248 H2O 1078 H2O O1 4 -0.847600 15.9994 0 - 5249 H2O 1078 H2O H1 3 0.423800 1.0079 0 - 5250 H2O 1078 H2O H2 3 0.423800 1.0079 0 - 5251 H2O 1079 H2O O1 4 -0.847600 15.9994 0 - 5252 H2O 1079 H2O H1 3 0.423800 1.0079 0 - 5253 H2O 1079 H2O H2 3 0.423800 1.0079 0 - 5254 H2O 1080 H2O O1 4 -0.847600 15.9994 0 - 5255 H2O 1080 H2O H1 3 0.423800 1.0079 0 - 5256 H2O 1080 H2O H2 3 0.423800 1.0079 0 - 5257 H2O 1081 H2O O1 4 -0.847600 15.9994 0 - 5258 H2O 1081 H2O H1 3 0.423800 1.0079 0 - 5259 H2O 1081 H2O H2 3 0.423800 1.0079 0 - 5260 H2O 1082 H2O O1 4 -0.847600 15.9994 0 - 5261 H2O 1082 H2O H1 3 0.423800 1.0079 0 - 5262 H2O 1082 H2O H2 3 0.423800 1.0079 0 - 5263 H2O 1083 H2O O1 4 -0.847600 15.9994 0 - 5264 H2O 1083 H2O H1 3 0.423800 1.0079 0 - 5265 H2O 1083 H2O H2 3 0.423800 1.0079 0 - 5266 H2O 1084 H2O O1 4 -0.847600 15.9994 0 - 5267 H2O 1084 H2O H1 3 0.423800 1.0079 0 - 5268 H2O 1084 H2O H2 3 0.423800 1.0079 0 - 5269 H2O 1085 H2O O1 4 -0.847600 15.9994 0 - 5270 H2O 1085 H2O H1 3 0.423800 1.0079 0 - 5271 H2O 1085 H2O H2 3 0.423800 1.0079 0 - 5272 H2O 1086 H2O O1 4 -0.847600 15.9994 0 - 5273 H2O 1086 H2O H1 3 0.423800 1.0079 0 - 5274 H2O 1086 H2O H2 3 0.423800 1.0079 0 - 5275 H2O 1087 H2O O1 4 -0.847600 15.9994 0 - 5276 H2O 1087 H2O H1 3 0.423800 1.0079 0 - 5277 H2O 1087 H2O H2 3 0.423800 1.0079 0 - 5278 H2O 1088 H2O O1 4 -0.847600 15.9994 0 - 5279 H2O 1088 H2O H1 3 0.423800 1.0079 0 - 5280 H2O 1088 H2O H2 3 0.423800 1.0079 0 - 5281 H2O 1089 H2O O1 4 -0.847600 15.9994 0 - 5282 H2O 1089 H2O H1 3 0.423800 1.0079 0 - 5283 H2O 1089 H2O H2 3 0.423800 1.0079 0 - 5284 H2O 1090 H2O O1 4 -0.847600 15.9994 0 - 5285 H2O 1090 H2O H1 3 0.423800 1.0079 0 - 5286 H2O 1090 H2O H2 3 0.423800 1.0079 0 - 5287 H2O 1091 H2O O1 4 -0.847600 15.9994 0 - 5288 H2O 1091 H2O H1 3 0.423800 1.0079 0 - 5289 H2O 1091 H2O H2 3 0.423800 1.0079 0 - 5290 H2O 1092 H2O O1 4 -0.847600 15.9994 0 - 5291 H2O 1092 H2O H1 3 0.423800 1.0079 0 - 5292 H2O 1092 H2O H2 3 0.423800 1.0079 0 - 5293 H2O 1093 H2O O1 4 -0.847600 15.9994 0 - 5294 H2O 1093 H2O H1 3 0.423800 1.0079 0 - 5295 H2O 1093 H2O H2 3 0.423800 1.0079 0 - 5296 H2O 1094 H2O O1 4 -0.847600 15.9994 0 - 5297 H2O 1094 H2O H1 3 0.423800 1.0079 0 - 5298 H2O 1094 H2O H2 3 0.423800 1.0079 0 - 5299 H2O 1095 H2O O1 4 -0.847600 15.9994 0 - 5300 H2O 1095 H2O H1 3 0.423800 1.0079 0 - 5301 H2O 1095 H2O H2 3 0.423800 1.0079 0 - 5302 H2O 1096 H2O O1 4 -0.847600 15.9994 0 - 5303 H2O 1096 H2O H1 3 0.423800 1.0079 0 - 5304 H2O 1096 H2O H2 3 0.423800 1.0079 0 - 5305 H2O 1097 H2O O1 4 -0.847600 15.9994 0 - 5306 H2O 1097 H2O H1 3 0.423800 1.0079 0 - 5307 H2O 1097 H2O H2 3 0.423800 1.0079 0 - 5308 H2O 1098 H2O O1 4 -0.847600 15.9994 0 - 5309 H2O 1098 H2O H1 3 0.423800 1.0079 0 - 5310 H2O 1098 H2O H2 3 0.423800 1.0079 0 - 5311 H2O 1099 H2O O1 4 -0.847600 15.9994 0 - 5312 H2O 1099 H2O H1 3 0.423800 1.0079 0 - 5313 H2O 1099 H2O H2 3 0.423800 1.0079 0 - 5314 H2O 1100 H2O O1 4 -0.847600 15.9994 0 - 5315 H2O 1100 H2O H1 3 0.423800 1.0079 0 - 5316 H2O 1100 H2O H2 3 0.423800 1.0079 0 - 5317 H2O 1101 H2O O1 4 -0.847600 15.9994 0 - 5318 H2O 1101 H2O H1 3 0.423800 1.0079 0 - 5319 H2O 1101 H2O H2 3 0.423800 1.0079 0 - 5320 H2O 1102 H2O O1 4 -0.847600 15.9994 0 - 5321 H2O 1102 H2O H1 3 0.423800 1.0079 0 - 5322 H2O 1102 H2O H2 3 0.423800 1.0079 0 - 5323 H2O 1103 H2O O1 4 -0.847600 15.9994 0 - 5324 H2O 1103 H2O H1 3 0.423800 1.0079 0 - 5325 H2O 1103 H2O H2 3 0.423800 1.0079 0 - 5326 H2O 1104 H2O O1 4 -0.847600 15.9994 0 - 5327 H2O 1104 H2O H1 3 0.423800 1.0079 0 - 5328 H2O 1104 H2O H2 3 0.423800 1.0079 0 - 5329 H2O 1105 H2O O1 4 -0.847600 15.9994 0 - 5330 H2O 1105 H2O H1 3 0.423800 1.0079 0 - 5331 H2O 1105 H2O H2 3 0.423800 1.0079 0 - 5332 H2O 1106 H2O O1 4 -0.847600 15.9994 0 - 5333 H2O 1106 H2O H1 3 0.423800 1.0079 0 - 5334 H2O 1106 H2O H2 3 0.423800 1.0079 0 - 5335 H2O 1107 H2O O1 4 -0.847600 15.9994 0 - 5336 H2O 1107 H2O H1 3 0.423800 1.0079 0 - 5337 H2O 1107 H2O H2 3 0.423800 1.0079 0 - 5338 H2O 1108 H2O O1 4 -0.847600 15.9994 0 - 5339 H2O 1108 H2O H1 3 0.423800 1.0079 0 - 5340 H2O 1108 H2O H2 3 0.423800 1.0079 0 - 5341 H2O 1109 H2O O1 4 -0.847600 15.9994 0 - 5342 H2O 1109 H2O H1 3 0.423800 1.0079 0 - 5343 H2O 1109 H2O H2 3 0.423800 1.0079 0 - 5344 H2O 1110 H2O O1 4 -0.847600 15.9994 0 - 5345 H2O 1110 H2O H1 3 0.423800 1.0079 0 - 5346 H2O 1110 H2O H2 3 0.423800 1.0079 0 - 5347 H2O 1111 H2O O1 4 -0.847600 15.9994 0 - 5348 H2O 1111 H2O H1 3 0.423800 1.0079 0 - 5349 H2O 1111 H2O H2 3 0.423800 1.0079 0 - 5350 H2O 1112 H2O O1 4 -0.847600 15.9994 0 - 5351 H2O 1112 H2O H1 3 0.423800 1.0079 0 - 5352 H2O 1112 H2O H2 3 0.423800 1.0079 0 - 5353 H2O 1113 H2O O1 4 -0.847600 15.9994 0 - 5354 H2O 1113 H2O H1 3 0.423800 1.0079 0 - 5355 H2O 1113 H2O H2 3 0.423800 1.0079 0 - 5356 H2O 1114 H2O O1 4 -0.847600 15.9994 0 - 5357 H2O 1114 H2O H1 3 0.423800 1.0079 0 - 5358 H2O 1114 H2O H2 3 0.423800 1.0079 0 - 5359 H2O 1115 H2O O1 4 -0.847600 15.9994 0 - 5360 H2O 1115 H2O H1 3 0.423800 1.0079 0 - 5361 H2O 1115 H2O H2 3 0.423800 1.0079 0 - 5362 H2O 1116 H2O O1 4 -0.847600 15.9994 0 - 5363 H2O 1116 H2O H1 3 0.423800 1.0079 0 - 5364 H2O 1116 H2O H2 3 0.423800 1.0079 0 - 5365 H2O 1117 H2O O1 4 -0.847600 15.9994 0 - 5366 H2O 1117 H2O H1 3 0.423800 1.0079 0 - 5367 H2O 1117 H2O H2 3 0.423800 1.0079 0 - 5368 H2O 1118 H2O O1 4 -0.847600 15.9994 0 - 5369 H2O 1118 H2O H1 3 0.423800 1.0079 0 - 5370 H2O 1118 H2O H2 3 0.423800 1.0079 0 - 5371 H2O 1119 H2O O1 4 -0.847600 15.9994 0 - 5372 H2O 1119 H2O H1 3 0.423800 1.0079 0 - 5373 H2O 1119 H2O H2 3 0.423800 1.0079 0 - 5374 H2O 1120 H2O O1 4 -0.847600 15.9994 0 - 5375 H2O 1120 H2O H1 3 0.423800 1.0079 0 - 5376 H2O 1120 H2O H2 3 0.423800 1.0079 0 - 5377 H2O 1121 H2O O1 4 -0.847600 15.9994 0 - 5378 H2O 1121 H2O H1 3 0.423800 1.0079 0 - 5379 H2O 1121 H2O H2 3 0.423800 1.0079 0 - 5380 H2O 1122 H2O O1 4 -0.847600 15.9994 0 - 5381 H2O 1122 H2O H1 3 0.423800 1.0079 0 - 5382 H2O 1122 H2O H2 3 0.423800 1.0079 0 - 5383 H2O 1123 H2O O1 4 -0.847600 15.9994 0 - 5384 H2O 1123 H2O H1 3 0.423800 1.0079 0 - 5385 H2O 1123 H2O H2 3 0.423800 1.0079 0 - 5386 H2O 1124 H2O O1 4 -0.847600 15.9994 0 - 5387 H2O 1124 H2O H1 3 0.423800 1.0079 0 - 5388 H2O 1124 H2O H2 3 0.423800 1.0079 0 - 5389 H2O 1125 H2O O1 4 -0.847600 15.9994 0 - 5390 H2O 1125 H2O H1 3 0.423800 1.0079 0 - 5391 H2O 1125 H2O H2 3 0.423800 1.0079 0 - 5392 H2O 1126 H2O O1 4 -0.847600 15.9994 0 - 5393 H2O 1126 H2O H1 3 0.423800 1.0079 0 - 5394 H2O 1126 H2O H2 3 0.423800 1.0079 0 - 5395 H2O 1127 H2O O1 4 -0.847600 15.9994 0 - 5396 H2O 1127 H2O H1 3 0.423800 1.0079 0 - 5397 H2O 1127 H2O H2 3 0.423800 1.0079 0 - 5398 H2O 1128 H2O O1 4 -0.847600 15.9994 0 - 5399 H2O 1128 H2O H1 3 0.423800 1.0079 0 - 5400 H2O 1128 H2O H2 3 0.423800 1.0079 0 - 5401 H2O 1129 H2O O1 4 -0.847600 15.9994 0 - 5402 H2O 1129 H2O H1 3 0.423800 1.0079 0 - 5403 H2O 1129 H2O H2 3 0.423800 1.0079 0 - 5404 H2O 1130 H2O O1 4 -0.847600 15.9994 0 - 5405 H2O 1130 H2O H1 3 0.423800 1.0079 0 - 5406 H2O 1130 H2O H2 3 0.423800 1.0079 0 - 5407 H2O 1131 H2O O1 4 -0.847600 15.9994 0 - 5408 H2O 1131 H2O H1 3 0.423800 1.0079 0 - 5409 H2O 1131 H2O H2 3 0.423800 1.0079 0 - 5410 H2O 1132 H2O O1 4 -0.847600 15.9994 0 - 5411 H2O 1132 H2O H1 3 0.423800 1.0079 0 - 5412 H2O 1132 H2O H2 3 0.423800 1.0079 0 - 5413 H2O 1133 H2O O1 4 -0.847600 15.9994 0 - 5414 H2O 1133 H2O H1 3 0.423800 1.0079 0 - 5415 H2O 1133 H2O H2 3 0.423800 1.0079 0 - 5416 H2O 1134 H2O O1 4 -0.847600 15.9994 0 - 5417 H2O 1134 H2O H1 3 0.423800 1.0079 0 - 5418 H2O 1134 H2O H2 3 0.423800 1.0079 0 - 5419 H2O 1135 H2O O1 4 -0.847600 15.9994 0 - 5420 H2O 1135 H2O H1 3 0.423800 1.0079 0 - 5421 H2O 1135 H2O H2 3 0.423800 1.0079 0 - 5422 H2O 1136 H2O O1 4 -0.847600 15.9994 0 - 5423 H2O 1136 H2O H1 3 0.423800 1.0079 0 - 5424 H2O 1136 H2O H2 3 0.423800 1.0079 0 - 5425 H2O 1137 H2O O1 4 -0.847600 15.9994 0 - 5426 H2O 1137 H2O H1 3 0.423800 1.0079 0 - 5427 H2O 1137 H2O H2 3 0.423800 1.0079 0 - 5428 H2O 1138 H2O O1 4 -0.847600 15.9994 0 - 5429 H2O 1138 H2O H1 3 0.423800 1.0079 0 - 5430 H2O 1138 H2O H2 3 0.423800 1.0079 0 - 5431 H2O 1139 H2O O1 4 -0.847600 15.9994 0 - 5432 H2O 1139 H2O H1 3 0.423800 1.0079 0 - 5433 H2O 1139 H2O H2 3 0.423800 1.0079 0 - 5434 H2O 1140 H2O O1 4 -0.847600 15.9994 0 - 5435 H2O 1140 H2O H1 3 0.423800 1.0079 0 - 5436 H2O 1140 H2O H2 3 0.423800 1.0079 0 - 5437 H2O 1141 H2O O1 4 -0.847600 15.9994 0 - 5438 H2O 1141 H2O H1 3 0.423800 1.0079 0 - 5439 H2O 1141 H2O H2 3 0.423800 1.0079 0 - 5440 H2O 1142 H2O O1 4 -0.847600 15.9994 0 - 5441 H2O 1142 H2O H1 3 0.423800 1.0079 0 - 5442 H2O 1142 H2O H2 3 0.423800 1.0079 0 - 5443 H2O 1143 H2O O1 4 -0.847600 15.9994 0 - 5444 H2O 1143 H2O H1 3 0.423800 1.0079 0 - 5445 H2O 1143 H2O H2 3 0.423800 1.0079 0 - 5446 H2O 1144 H2O O1 4 -0.847600 15.9994 0 - 5447 H2O 1144 H2O H1 3 0.423800 1.0079 0 - 5448 H2O 1144 H2O H2 3 0.423800 1.0079 0 - 5449 H2O 1145 H2O O1 4 -0.847600 15.9994 0 - 5450 H2O 1145 H2O H1 3 0.423800 1.0079 0 - 5451 H2O 1145 H2O H2 3 0.423800 1.0079 0 - 5452 H2O 1146 H2O O1 4 -0.847600 15.9994 0 - 5453 H2O 1146 H2O H1 3 0.423800 1.0079 0 - 5454 H2O 1146 H2O H2 3 0.423800 1.0079 0 - 5455 H2O 1147 H2O O1 4 -0.847600 15.9994 0 - 5456 H2O 1147 H2O H1 3 0.423800 1.0079 0 - 5457 H2O 1147 H2O H2 3 0.423800 1.0079 0 - 5458 H2O 1148 H2O O1 4 -0.847600 15.9994 0 - 5459 H2O 1148 H2O H1 3 0.423800 1.0079 0 - 5460 H2O 1148 H2O H2 3 0.423800 1.0079 0 - 5461 H2O 1149 H2O O1 4 -0.847600 15.9994 0 - 5462 H2O 1149 H2O H1 3 0.423800 1.0079 0 - 5463 H2O 1149 H2O H2 3 0.423800 1.0079 0 - 5464 H2O 1150 H2O O1 4 -0.847600 15.9994 0 - 5465 H2O 1150 H2O H1 3 0.423800 1.0079 0 - 5466 H2O 1150 H2O H2 3 0.423800 1.0079 0 - 5467 H2O 1151 H2O O1 4 -0.847600 15.9994 0 - 5468 H2O 1151 H2O H1 3 0.423800 1.0079 0 - 5469 H2O 1151 H2O H2 3 0.423800 1.0079 0 - 5470 H2O 1152 H2O O1 4 -0.847600 15.9994 0 - 5471 H2O 1152 H2O H1 3 0.423800 1.0079 0 - 5472 H2O 1152 H2O H2 3 0.423800 1.0079 0 - 5473 H2O 1153 H2O O1 4 -0.847600 15.9994 0 - 5474 H2O 1153 H2O H1 3 0.423800 1.0079 0 - 5475 H2O 1153 H2O H2 3 0.423800 1.0079 0 - 5476 H2O 1154 H2O O1 4 -0.847600 15.9994 0 - 5477 H2O 1154 H2O H1 3 0.423800 1.0079 0 - 5478 H2O 1154 H2O H2 3 0.423800 1.0079 0 - 5479 H2O 1155 H2O O1 4 -0.847600 15.9994 0 - 5480 H2O 1155 H2O H1 3 0.423800 1.0079 0 - 5481 H2O 1155 H2O H2 3 0.423800 1.0079 0 - 5482 H2O 1156 H2O O1 4 -0.847600 15.9994 0 - 5483 H2O 1156 H2O H1 3 0.423800 1.0079 0 - 5484 H2O 1156 H2O H2 3 0.423800 1.0079 0 - 5485 H2O 1157 H2O O1 4 -0.847600 15.9994 0 - 5486 H2O 1157 H2O H1 3 0.423800 1.0079 0 - 5487 H2O 1157 H2O H2 3 0.423800 1.0079 0 - 5488 H2O 1158 H2O O1 4 -0.847600 15.9994 0 - 5489 H2O 1158 H2O H1 3 0.423800 1.0079 0 - 5490 H2O 1158 H2O H2 3 0.423800 1.0079 0 - 5491 H2O 1159 H2O O1 4 -0.847600 15.9994 0 - 5492 H2O 1159 H2O H1 3 0.423800 1.0079 0 - 5493 H2O 1159 H2O H2 3 0.423800 1.0079 0 - 5494 H2O 1160 H2O O1 4 -0.847600 15.9994 0 - 5495 H2O 1160 H2O H1 3 0.423800 1.0079 0 - 5496 H2O 1160 H2O H2 3 0.423800 1.0079 0 - 5497 H2O 1161 H2O O1 4 -0.847600 15.9994 0 - 5498 H2O 1161 H2O H1 3 0.423800 1.0079 0 - 5499 H2O 1161 H2O H2 3 0.423800 1.0079 0 - 5500 H2O 1162 H2O O1 4 -0.847600 15.9994 0 - 5501 H2O 1162 H2O H1 3 0.423800 1.0079 0 - 5502 H2O 1162 H2O H2 3 0.423800 1.0079 0 - 5503 H2O 1163 H2O O1 4 -0.847600 15.9994 0 - 5504 H2O 1163 H2O H1 3 0.423800 1.0079 0 - 5505 H2O 1163 H2O H2 3 0.423800 1.0079 0 - 5506 H2O 1164 H2O O1 4 -0.847600 15.9994 0 - 5507 H2O 1164 H2O H1 3 0.423800 1.0079 0 - 5508 H2O 1164 H2O H2 3 0.423800 1.0079 0 - 5509 H2O 1165 H2O O1 4 -0.847600 15.9994 0 - 5510 H2O 1165 H2O H1 3 0.423800 1.0079 0 - 5511 H2O 1165 H2O H2 3 0.423800 1.0079 0 - 5512 H2O 1166 H2O O1 4 -0.847600 15.9994 0 - 5513 H2O 1166 H2O H1 3 0.423800 1.0079 0 - 5514 H2O 1166 H2O H2 3 0.423800 1.0079 0 - 5515 H2O 1167 H2O O1 4 -0.847600 15.9994 0 - 5516 H2O 1167 H2O H1 3 0.423800 1.0079 0 - 5517 H2O 1167 H2O H2 3 0.423800 1.0079 0 - 5518 H2O 1168 H2O O1 4 -0.847600 15.9994 0 - 5519 H2O 1168 H2O H1 3 0.423800 1.0079 0 - 5520 H2O 1168 H2O H2 3 0.423800 1.0079 0 - 5521 H2O 1169 H2O O1 4 -0.847600 15.9994 0 - 5522 H2O 1169 H2O H1 3 0.423800 1.0079 0 - 5523 H2O 1169 H2O H2 3 0.423800 1.0079 0 - 5524 H2O 1170 H2O O1 4 -0.847600 15.9994 0 - 5525 H2O 1170 H2O H1 3 0.423800 1.0079 0 - 5526 H2O 1170 H2O H2 3 0.423800 1.0079 0 - 5527 H2O 1171 H2O O1 4 -0.847600 15.9994 0 - 5528 H2O 1171 H2O H1 3 0.423800 1.0079 0 - 5529 H2O 1171 H2O H2 3 0.423800 1.0079 0 - 5530 H2O 1172 H2O O1 4 -0.847600 15.9994 0 - 5531 H2O 1172 H2O H1 3 0.423800 1.0079 0 - 5532 H2O 1172 H2O H2 3 0.423800 1.0079 0 - 5533 H2O 1173 H2O O1 4 -0.847600 15.9994 0 - 5534 H2O 1173 H2O H1 3 0.423800 1.0079 0 - 5535 H2O 1173 H2O H2 3 0.423800 1.0079 0 - 5536 H2O 1174 H2O O1 4 -0.847600 15.9994 0 - 5537 H2O 1174 H2O H1 3 0.423800 1.0079 0 - 5538 H2O 1174 H2O H2 3 0.423800 1.0079 0 - 5539 H2O 1175 H2O O1 4 -0.847600 15.9994 0 - 5540 H2O 1175 H2O H1 3 0.423800 1.0079 0 - 5541 H2O 1175 H2O H2 3 0.423800 1.0079 0 - 5542 H2O 1176 H2O O1 4 -0.847600 15.9994 0 - 5543 H2O 1176 H2O H1 3 0.423800 1.0079 0 - 5544 H2O 1176 H2O H2 3 0.423800 1.0079 0 - 5545 H2O 1177 H2O O1 4 -0.847600 15.9994 0 - 5546 H2O 1177 H2O H1 3 0.423800 1.0079 0 - 5547 H2O 1177 H2O H2 3 0.423800 1.0079 0 - 5548 H2O 1178 H2O O1 4 -0.847600 15.9994 0 - 5549 H2O 1178 H2O H1 3 0.423800 1.0079 0 - 5550 H2O 1178 H2O H2 3 0.423800 1.0079 0 - 5551 H2O 1179 H2O O1 4 -0.847600 15.9994 0 - 5552 H2O 1179 H2O H1 3 0.423800 1.0079 0 - 5553 H2O 1179 H2O H2 3 0.423800 1.0079 0 - 5554 H2O 1180 H2O O1 4 -0.847600 15.9994 0 - 5555 H2O 1180 H2O H1 3 0.423800 1.0079 0 - 5556 H2O 1180 H2O H2 3 0.423800 1.0079 0 - 5557 H2O 1181 H2O O1 4 -0.847600 15.9994 0 - 5558 H2O 1181 H2O H1 3 0.423800 1.0079 0 - 5559 H2O 1181 H2O H2 3 0.423800 1.0079 0 - 5560 H2O 1182 H2O O1 4 -0.847600 15.9994 0 - 5561 H2O 1182 H2O H1 3 0.423800 1.0079 0 - 5562 H2O 1182 H2O H2 3 0.423800 1.0079 0 - 5563 H2O 1183 H2O O1 4 -0.847600 15.9994 0 - 5564 H2O 1183 H2O H1 3 0.423800 1.0079 0 - 5565 H2O 1183 H2O H2 3 0.423800 1.0079 0 - 5566 H2O 1184 H2O O1 4 -0.847600 15.9994 0 - 5567 H2O 1184 H2O H1 3 0.423800 1.0079 0 - 5568 H2O 1184 H2O H2 3 0.423800 1.0079 0 - 5569 H2O 1185 H2O O1 4 -0.847600 15.9994 0 - 5570 H2O 1185 H2O H1 3 0.423800 1.0079 0 - 5571 H2O 1185 H2O H2 3 0.423800 1.0079 0 - 5572 H2O 1186 H2O O1 4 -0.847600 15.9994 0 - 5573 H2O 1186 H2O H1 3 0.423800 1.0079 0 - 5574 H2O 1186 H2O H2 3 0.423800 1.0079 0 - 5575 H2O 1187 H2O O1 4 -0.847600 15.9994 0 - 5576 H2O 1187 H2O H1 3 0.423800 1.0079 0 - 5577 H2O 1187 H2O H2 3 0.423800 1.0079 0 - 5578 H2O 1188 H2O O1 4 -0.847600 15.9994 0 - 5579 H2O 1188 H2O H1 3 0.423800 1.0079 0 - 5580 H2O 1188 H2O H2 3 0.423800 1.0079 0 - 5581 H2O 1189 H2O O1 4 -0.847600 15.9994 0 - 5582 H2O 1189 H2O H1 3 0.423800 1.0079 0 - 5583 H2O 1189 H2O H2 3 0.423800 1.0079 0 - 5584 H2O 1190 H2O O1 4 -0.847600 15.9994 0 - 5585 H2O 1190 H2O H1 3 0.423800 1.0079 0 - 5586 H2O 1190 H2O H2 3 0.423800 1.0079 0 - 5587 H2O 1191 H2O O1 4 -0.847600 15.9994 0 - 5588 H2O 1191 H2O H1 3 0.423800 1.0079 0 - 5589 H2O 1191 H2O H2 3 0.423800 1.0079 0 - 5590 H2O 1192 H2O O1 4 -0.847600 15.9994 0 - 5591 H2O 1192 H2O H1 3 0.423800 1.0079 0 - 5592 H2O 1192 H2O H2 3 0.423800 1.0079 0 - 5593 H2O 1193 H2O O1 4 -0.847600 15.9994 0 - 5594 H2O 1193 H2O H1 3 0.423800 1.0079 0 - 5595 H2O 1193 H2O H2 3 0.423800 1.0079 0 - 5596 H2O 1194 H2O O1 4 -0.847600 15.9994 0 - 5597 H2O 1194 H2O H1 3 0.423800 1.0079 0 - 5598 H2O 1194 H2O H2 3 0.423800 1.0079 0 - 5599 H2O 1195 H2O O1 4 -0.847600 15.9994 0 - 5600 H2O 1195 H2O H1 3 0.423800 1.0079 0 - 5601 H2O 1195 H2O H2 3 0.423800 1.0079 0 - 5602 H2O 1196 H2O O1 4 -0.847600 15.9994 0 - 5603 H2O 1196 H2O H1 3 0.423800 1.0079 0 - 5604 H2O 1196 H2O H2 3 0.423800 1.0079 0 - 5605 H2O 1197 H2O O1 4 -0.847600 15.9994 0 - 5606 H2O 1197 H2O H1 3 0.423800 1.0079 0 - 5607 H2O 1197 H2O H2 3 0.423800 1.0079 0 - 5608 H2O 1198 H2O O1 4 -0.847600 15.9994 0 - 5609 H2O 1198 H2O H1 3 0.423800 1.0079 0 - 5610 H2O 1198 H2O H2 3 0.423800 1.0079 0 - 5611 H2O 1199 H2O O1 4 -0.847600 15.9994 0 - 5612 H2O 1199 H2O H1 3 0.423800 1.0079 0 - 5613 H2O 1199 H2O H2 3 0.423800 1.0079 0 - 5614 H2O 1200 H2O O1 4 -0.847600 15.9994 0 - 5615 H2O 1200 H2O H1 3 0.423800 1.0079 0 - 5616 H2O 1200 H2O H2 3 0.423800 1.0079 0 - 5617 H2O 1201 H2O O1 4 -0.847600 15.9994 0 - 5618 H2O 1201 H2O H1 3 0.423800 1.0079 0 - 5619 H2O 1201 H2O H2 3 0.423800 1.0079 0 - 5620 H2O 1202 H2O O1 4 -0.847600 15.9994 0 - 5621 H2O 1202 H2O H1 3 0.423800 1.0079 0 - 5622 H2O 1202 H2O H2 3 0.423800 1.0079 0 - 5623 H2O 1203 H2O O1 4 -0.847600 15.9994 0 - 5624 H2O 1203 H2O H1 3 0.423800 1.0079 0 - 5625 H2O 1203 H2O H2 3 0.423800 1.0079 0 - 5626 H2O 1204 H2O O1 4 -0.847600 15.9994 0 - 5627 H2O 1204 H2O H1 3 0.423800 1.0079 0 - 5628 H2O 1204 H2O H2 3 0.423800 1.0079 0 - 5629 H2O 1205 H2O O1 4 -0.847600 15.9994 0 - 5630 H2O 1205 H2O H1 3 0.423800 1.0079 0 - 5631 H2O 1205 H2O H2 3 0.423800 1.0079 0 - 5632 H2O 1206 H2O O1 4 -0.847600 15.9994 0 - 5633 H2O 1206 H2O H1 3 0.423800 1.0079 0 - 5634 H2O 1206 H2O H2 3 0.423800 1.0079 0 - 5635 H2O 1207 H2O O1 4 -0.847600 15.9994 0 - 5636 H2O 1207 H2O H1 3 0.423800 1.0079 0 - 5637 H2O 1207 H2O H2 3 0.423800 1.0079 0 - 5638 H2O 1208 H2O O1 4 -0.847600 15.9994 0 - 5639 H2O 1208 H2O H1 3 0.423800 1.0079 0 - 5640 H2O 1208 H2O H2 3 0.423800 1.0079 0 - 5641 H2O 1209 H2O O1 4 -0.847600 15.9994 0 - 5642 H2O 1209 H2O H1 3 0.423800 1.0079 0 - 5643 H2O 1209 H2O H2 3 0.423800 1.0079 0 - 5644 H2O 1210 H2O O1 4 -0.847600 15.9994 0 - 5645 H2O 1210 H2O H1 3 0.423800 1.0079 0 - 5646 H2O 1210 H2O H2 3 0.423800 1.0079 0 - 5647 H2O 1211 H2O O1 4 -0.847600 15.9994 0 - 5648 H2O 1211 H2O H1 3 0.423800 1.0079 0 - 5649 H2O 1211 H2O H2 3 0.423800 1.0079 0 - 5650 H2O 1212 H2O O1 4 -0.847600 15.9994 0 - 5651 H2O 1212 H2O H1 3 0.423800 1.0079 0 - 5652 H2O 1212 H2O H2 3 0.423800 1.0079 0 - 5653 H2O 1213 H2O O1 4 -0.847600 15.9994 0 - 5654 H2O 1213 H2O H1 3 0.423800 1.0079 0 - 5655 H2O 1213 H2O H2 3 0.423800 1.0079 0 - 5656 H2O 1214 H2O O1 4 -0.847600 15.9994 0 - 5657 H2O 1214 H2O H1 3 0.423800 1.0079 0 - 5658 H2O 1214 H2O H2 3 0.423800 1.0079 0 - 5659 H2O 1215 H2O O1 4 -0.847600 15.9994 0 - 5660 H2O 1215 H2O H1 3 0.423800 1.0079 0 - 5661 H2O 1215 H2O H2 3 0.423800 1.0079 0 - 5662 H2O 1216 H2O O1 4 -0.847600 15.9994 0 - 5663 H2O 1216 H2O H1 3 0.423800 1.0079 0 - 5664 H2O 1216 H2O H2 3 0.423800 1.0079 0 - 5665 H2O 1217 H2O O1 4 -0.847600 15.9994 0 - 5666 H2O 1217 H2O H1 3 0.423800 1.0079 0 - 5667 H2O 1217 H2O H2 3 0.423800 1.0079 0 - 5668 H2O 1218 H2O O1 4 -0.847600 15.9994 0 - 5669 H2O 1218 H2O H1 3 0.423800 1.0079 0 - 5670 H2O 1218 H2O H2 3 0.423800 1.0079 0 - 5671 H2O 1219 H2O O1 4 -0.847600 15.9994 0 - 5672 H2O 1219 H2O H1 3 0.423800 1.0079 0 - 5673 H2O 1219 H2O H2 3 0.423800 1.0079 0 - 5674 H2O 1220 H2O O1 4 -0.847600 15.9994 0 - 5675 H2O 1220 H2O H1 3 0.423800 1.0079 0 - 5676 H2O 1220 H2O H2 3 0.423800 1.0079 0 - 5677 H2O 1221 H2O O1 4 -0.847600 15.9994 0 - 5678 H2O 1221 H2O H1 3 0.423800 1.0079 0 - 5679 H2O 1221 H2O H2 3 0.423800 1.0079 0 - 5680 H2O 1222 H2O O1 4 -0.847600 15.9994 0 - 5681 H2O 1222 H2O H1 3 0.423800 1.0079 0 - 5682 H2O 1222 H2O H2 3 0.423800 1.0079 0 - 5683 H2O 1223 H2O O1 4 -0.847600 15.9994 0 - 5684 H2O 1223 H2O H1 3 0.423800 1.0079 0 - 5685 H2O 1223 H2O H2 3 0.423800 1.0079 0 - 5686 H2O 1224 H2O O1 4 -0.847600 15.9994 0 - 5687 H2O 1224 H2O H1 3 0.423800 1.0079 0 - 5688 H2O 1224 H2O H2 3 0.423800 1.0079 0 - 5689 H2O 1225 H2O O1 4 -0.847600 15.9994 0 - 5690 H2O 1225 H2O H1 3 0.423800 1.0079 0 - 5691 H2O 1225 H2O H2 3 0.423800 1.0079 0 - 5692 H2O 1226 H2O O1 4 -0.847600 15.9994 0 - 5693 H2O 1226 H2O H1 3 0.423800 1.0079 0 - 5694 H2O 1226 H2O H2 3 0.423800 1.0079 0 - 5695 H2O 1227 H2O O1 4 -0.847600 15.9994 0 - 5696 H2O 1227 H2O H1 3 0.423800 1.0079 0 - 5697 H2O 1227 H2O H2 3 0.423800 1.0079 0 - 5698 H2O 1228 H2O O1 4 -0.847600 15.9994 0 - 5699 H2O 1228 H2O H1 3 0.423800 1.0079 0 - 5700 H2O 1228 H2O H2 3 0.423800 1.0079 0 - 5701 H2O 1229 H2O O1 4 -0.847600 15.9994 0 - 5702 H2O 1229 H2O H1 3 0.423800 1.0079 0 - 5703 H2O 1229 H2O H2 3 0.423800 1.0079 0 - 5704 H2O 1230 H2O O1 4 -0.847600 15.9994 0 - 5705 H2O 1230 H2O H1 3 0.423800 1.0079 0 - 5706 H2O 1230 H2O H2 3 0.423800 1.0079 0 - 5707 H2O 1231 H2O O1 4 -0.847600 15.9994 0 - 5708 H2O 1231 H2O H1 3 0.423800 1.0079 0 - 5709 H2O 1231 H2O H2 3 0.423800 1.0079 0 - 5710 H2O 1232 H2O O1 4 -0.847600 15.9994 0 - 5711 H2O 1232 H2O H1 3 0.423800 1.0079 0 - 5712 H2O 1232 H2O H2 3 0.423800 1.0079 0 - 5713 H2O 1233 H2O O1 4 -0.847600 15.9994 0 - 5714 H2O 1233 H2O H1 3 0.423800 1.0079 0 - 5715 H2O 1233 H2O H2 3 0.423800 1.0079 0 - 5716 H2O 1234 H2O O1 4 -0.847600 15.9994 0 - 5717 H2O 1234 H2O H1 3 0.423800 1.0079 0 - 5718 H2O 1234 H2O H2 3 0.423800 1.0079 0 - 5719 H2O 1235 H2O O1 4 -0.847600 15.9994 0 - 5720 H2O 1235 H2O H1 3 0.423800 1.0079 0 - 5721 H2O 1235 H2O H2 3 0.423800 1.0079 0 - 5722 H2O 1236 H2O O1 4 -0.847600 15.9994 0 - 5723 H2O 1236 H2O H1 3 0.423800 1.0079 0 - 5724 H2O 1236 H2O H2 3 0.423800 1.0079 0 - 5725 H2O 1237 H2O O1 4 -0.847600 15.9994 0 - 5726 H2O 1237 H2O H1 3 0.423800 1.0079 0 - 5727 H2O 1237 H2O H2 3 0.423800 1.0079 0 - 5728 H2O 1238 H2O O1 4 -0.847600 15.9994 0 - 5729 H2O 1238 H2O H1 3 0.423800 1.0079 0 - 5730 H2O 1238 H2O H2 3 0.423800 1.0079 0 - 5731 H2O 1239 H2O O1 4 -0.847600 15.9994 0 - 5732 H2O 1239 H2O H1 3 0.423800 1.0079 0 - 5733 H2O 1239 H2O H2 3 0.423800 1.0079 0 - 5734 H2O 1240 H2O O1 4 -0.847600 15.9994 0 - 5735 H2O 1240 H2O H1 3 0.423800 1.0079 0 - 5736 H2O 1240 H2O H2 3 0.423800 1.0079 0 - 5737 H2O 1241 H2O O1 4 -0.847600 15.9994 0 - 5738 H2O 1241 H2O H1 3 0.423800 1.0079 0 - 5739 H2O 1241 H2O H2 3 0.423800 1.0079 0 - 5740 H2O 1242 H2O O1 4 -0.847600 15.9994 0 - 5741 H2O 1242 H2O H1 3 0.423800 1.0079 0 - 5742 H2O 1242 H2O H2 3 0.423800 1.0079 0 - 5743 H2O 1243 H2O O1 4 -0.847600 15.9994 0 - 5744 H2O 1243 H2O H1 3 0.423800 1.0079 0 - 5745 H2O 1243 H2O H2 3 0.423800 1.0079 0 - 5746 H2O 1244 H2O O1 4 -0.847600 15.9994 0 - 5747 H2O 1244 H2O H1 3 0.423800 1.0079 0 - 5748 H2O 1244 H2O H2 3 0.423800 1.0079 0 - 5749 H2O 1245 H2O O1 4 -0.847600 15.9994 0 - 5750 H2O 1245 H2O H1 3 0.423800 1.0079 0 - 5751 H2O 1245 H2O H2 3 0.423800 1.0079 0 - 5752 H2O 1246 H2O O1 4 -0.847600 15.9994 0 - 5753 H2O 1246 H2O H1 3 0.423800 1.0079 0 - 5754 H2O 1246 H2O H2 3 0.423800 1.0079 0 - 5755 H2O 1247 H2O O1 4 -0.847600 15.9994 0 - 5756 H2O 1247 H2O H1 3 0.423800 1.0079 0 - 5757 H2O 1247 H2O H2 3 0.423800 1.0079 0 - 5758 H2O 1248 H2O O1 4 -0.847600 15.9994 0 - 5759 H2O 1248 H2O H1 3 0.423800 1.0079 0 - 5760 H2O 1248 H2O H2 3 0.423800 1.0079 0 - 5761 H2O 1249 H2O O1 4 -0.847600 15.9994 0 - 5762 H2O 1249 H2O H1 3 0.423800 1.0079 0 - 5763 H2O 1249 H2O H2 3 0.423800 1.0079 0 - 5764 H2O 1250 H2O O1 4 -0.847600 15.9994 0 - 5765 H2O 1250 H2O H1 3 0.423800 1.0079 0 - 5766 H2O 1250 H2O H2 3 0.423800 1.0079 0 - 5767 H2O 1251 H2O O1 4 -0.847600 15.9994 0 - 5768 H2O 1251 H2O H1 3 0.423800 1.0079 0 - 5769 H2O 1251 H2O H2 3 0.423800 1.0079 0 - 5770 H2O 1252 H2O O1 4 -0.847600 15.9994 0 - 5771 H2O 1252 H2O H1 3 0.423800 1.0079 0 - 5772 H2O 1252 H2O H2 3 0.423800 1.0079 0 - 5773 H2O 1253 H2O O1 4 -0.847600 15.9994 0 - 5774 H2O 1253 H2O H1 3 0.423800 1.0079 0 - 5775 H2O 1253 H2O H2 3 0.423800 1.0079 0 - 5776 H2O 1254 H2O O1 4 -0.847600 15.9994 0 - 5777 H2O 1254 H2O H1 3 0.423800 1.0079 0 - 5778 H2O 1254 H2O H2 3 0.423800 1.0079 0 - 5779 H2O 1255 H2O O1 4 -0.847600 15.9994 0 - 5780 H2O 1255 H2O H1 3 0.423800 1.0079 0 - 5781 H2O 1255 H2O H2 3 0.423800 1.0079 0 - 5782 H2O 1256 H2O O1 4 -0.847600 15.9994 0 - 5783 H2O 1256 H2O H1 3 0.423800 1.0079 0 - 5784 H2O 1256 H2O H2 3 0.423800 1.0079 0 - 5785 H2O 1257 H2O O1 4 -0.847600 15.9994 0 - 5786 H2O 1257 H2O H1 3 0.423800 1.0079 0 - 5787 H2O 1257 H2O H2 3 0.423800 1.0079 0 - 5788 H2O 1258 H2O O1 4 -0.847600 15.9994 0 - 5789 H2O 1258 H2O H1 3 0.423800 1.0079 0 - 5790 H2O 1258 H2O H2 3 0.423800 1.0079 0 - 5791 H2O 1259 H2O O1 4 -0.847600 15.9994 0 - 5792 H2O 1259 H2O H1 3 0.423800 1.0079 0 - 5793 H2O 1259 H2O H2 3 0.423800 1.0079 0 - 5794 H2O 1260 H2O O1 4 -0.847600 15.9994 0 - 5795 H2O 1260 H2O H1 3 0.423800 1.0079 0 - 5796 H2O 1260 H2O H2 3 0.423800 1.0079 0 - 5797 H2O 1261 H2O O1 4 -0.847600 15.9994 0 - 5798 H2O 1261 H2O H1 3 0.423800 1.0079 0 - 5799 H2O 1261 H2O H2 3 0.423800 1.0079 0 - 5800 H2O 1262 H2O O1 4 -0.847600 15.9994 0 - 5801 H2O 1262 H2O H1 3 0.423800 1.0079 0 - 5802 H2O 1262 H2O H2 3 0.423800 1.0079 0 - 5803 H2O 1263 H2O O1 4 -0.847600 15.9994 0 - 5804 H2O 1263 H2O H1 3 0.423800 1.0079 0 - 5805 H2O 1263 H2O H2 3 0.423800 1.0079 0 - 5806 H2O 1264 H2O O1 4 -0.847600 15.9994 0 - 5807 H2O 1264 H2O H1 3 0.423800 1.0079 0 - 5808 H2O 1264 H2O H2 3 0.423800 1.0079 0 - 5809 H2O 1265 H2O O1 4 -0.847600 15.9994 0 - 5810 H2O 1265 H2O H1 3 0.423800 1.0079 0 - 5811 H2O 1265 H2O H2 3 0.423800 1.0079 0 - 5812 H2O 1266 H2O O1 4 -0.847600 15.9994 0 - 5813 H2O 1266 H2O H1 3 0.423800 1.0079 0 - 5814 H2O 1266 H2O H2 3 0.423800 1.0079 0 - 5815 H2O 1267 H2O O1 4 -0.847600 15.9994 0 - 5816 H2O 1267 H2O H1 3 0.423800 1.0079 0 - 5817 H2O 1267 H2O H2 3 0.423800 1.0079 0 - 5818 H2O 1268 H2O O1 4 -0.847600 15.9994 0 - 5819 H2O 1268 H2O H1 3 0.423800 1.0079 0 - 5820 H2O 1268 H2O H2 3 0.423800 1.0079 0 - 5821 H2O 1269 H2O O1 4 -0.847600 15.9994 0 - 5822 H2O 1269 H2O H1 3 0.423800 1.0079 0 - 5823 H2O 1269 H2O H2 3 0.423800 1.0079 0 - 5824 H2O 1270 H2O O1 4 -0.847600 15.9994 0 - 5825 H2O 1270 H2O H1 3 0.423800 1.0079 0 - 5826 H2O 1270 H2O H2 3 0.423800 1.0079 0 - 5827 H2O 1271 H2O O1 4 -0.847600 15.9994 0 - 5828 H2O 1271 H2O H1 3 0.423800 1.0079 0 - 5829 H2O 1271 H2O H2 3 0.423800 1.0079 0 - 5830 H2O 1272 H2O O1 4 -0.847600 15.9994 0 - 5831 H2O 1272 H2O H1 3 0.423800 1.0079 0 - 5832 H2O 1272 H2O H2 3 0.423800 1.0079 0 - 5833 H2O 1273 H2O O1 4 -0.847600 15.9994 0 - 5834 H2O 1273 H2O H1 3 0.423800 1.0079 0 - 5835 H2O 1273 H2O H2 3 0.423800 1.0079 0 - 5836 H2O 1274 H2O O1 4 -0.847600 15.9994 0 - 5837 H2O 1274 H2O H1 3 0.423800 1.0079 0 - 5838 H2O 1274 H2O H2 3 0.423800 1.0079 0 - 5839 H2O 1275 H2O O1 4 -0.847600 15.9994 0 - 5840 H2O 1275 H2O H1 3 0.423800 1.0079 0 - 5841 H2O 1275 H2O H2 3 0.423800 1.0079 0 - 5842 H2O 1276 H2O O1 4 -0.847600 15.9994 0 - 5843 H2O 1276 H2O H1 3 0.423800 1.0079 0 - 5844 H2O 1276 H2O H2 3 0.423800 1.0079 0 - 5845 H2O 1277 H2O O1 4 -0.847600 15.9994 0 - 5846 H2O 1277 H2O H1 3 0.423800 1.0079 0 - 5847 H2O 1277 H2O H2 3 0.423800 1.0079 0 - 5848 H2O 1278 H2O O1 4 -0.847600 15.9994 0 - 5849 H2O 1278 H2O H1 3 0.423800 1.0079 0 - 5850 H2O 1278 H2O H2 3 0.423800 1.0079 0 - 5851 H2O 1279 H2O O1 4 -0.847600 15.9994 0 - 5852 H2O 1279 H2O H1 3 0.423800 1.0079 0 - 5853 H2O 1279 H2O H2 3 0.423800 1.0079 0 - 5854 H2O 1280 H2O O1 4 -0.847600 15.9994 0 - 5855 H2O 1280 H2O H1 3 0.423800 1.0079 0 - 5856 H2O 1280 H2O H2 3 0.423800 1.0079 0 - 5857 H2O 1281 H2O O1 4 -0.847600 15.9994 0 - 5858 H2O 1281 H2O H1 3 0.423800 1.0079 0 - 5859 H2O 1281 H2O H2 3 0.423800 1.0079 0 - 5860 H2O 1282 H2O O1 4 -0.847600 15.9994 0 - 5861 H2O 1282 H2O H1 3 0.423800 1.0079 0 - 5862 H2O 1282 H2O H2 3 0.423800 1.0079 0 - 5863 H2O 1283 H2O O1 4 -0.847600 15.9994 0 - 5864 H2O 1283 H2O H1 3 0.423800 1.0079 0 - 5865 H2O 1283 H2O H2 3 0.423800 1.0079 0 - 5866 H2O 1284 H2O O1 4 -0.847600 15.9994 0 - 5867 H2O 1284 H2O H1 3 0.423800 1.0079 0 - 5868 H2O 1284 H2O H2 3 0.423800 1.0079 0 - 5869 H2O 1285 H2O O1 4 -0.847600 15.9994 0 - 5870 H2O 1285 H2O H1 3 0.423800 1.0079 0 - 5871 H2O 1285 H2O H2 3 0.423800 1.0079 0 - 5872 H2O 1286 H2O O1 4 -0.847600 15.9994 0 - 5873 H2O 1286 H2O H1 3 0.423800 1.0079 0 - 5874 H2O 1286 H2O H2 3 0.423800 1.0079 0 - 5875 H2O 1287 H2O O1 4 -0.847600 15.9994 0 - 5876 H2O 1287 H2O H1 3 0.423800 1.0079 0 - 5877 H2O 1287 H2O H2 3 0.423800 1.0079 0 - 5878 H2O 1288 H2O O1 4 -0.847600 15.9994 0 - 5879 H2O 1288 H2O H1 3 0.423800 1.0079 0 - 5880 H2O 1288 H2O H2 3 0.423800 1.0079 0 - 5881 H2O 1289 H2O O1 4 -0.847600 15.9994 0 - 5882 H2O 1289 H2O H1 3 0.423800 1.0079 0 - 5883 H2O 1289 H2O H2 3 0.423800 1.0079 0 - 5884 H2O 1290 H2O O1 4 -0.847600 15.9994 0 - 5885 H2O 1290 H2O H1 3 0.423800 1.0079 0 - 5886 H2O 1290 H2O H2 3 0.423800 1.0079 0 - 5887 H2O 1291 H2O O1 4 -0.847600 15.9994 0 - 5888 H2O 1291 H2O H1 3 0.423800 1.0079 0 - 5889 H2O 1291 H2O H2 3 0.423800 1.0079 0 - 5890 H2O 1292 H2O O1 4 -0.847600 15.9994 0 - 5891 H2O 1292 H2O H1 3 0.423800 1.0079 0 - 5892 H2O 1292 H2O H2 3 0.423800 1.0079 0 - 5893 H2O 1293 H2O O1 4 -0.847600 15.9994 0 - 5894 H2O 1293 H2O H1 3 0.423800 1.0079 0 - 5895 H2O 1293 H2O H2 3 0.423800 1.0079 0 - 5896 H2O 1294 H2O O1 4 -0.847600 15.9994 0 - 5897 H2O 1294 H2O H1 3 0.423800 1.0079 0 - 5898 H2O 1294 H2O H2 3 0.423800 1.0079 0 - 5899 H2O 1295 H2O O1 4 -0.847600 15.9994 0 - 5900 H2O 1295 H2O H1 3 0.423800 1.0079 0 - 5901 H2O 1295 H2O H2 3 0.423800 1.0079 0 - 5902 H2O 1296 H2O O1 4 -0.847600 15.9994 0 - 5903 H2O 1296 H2O H1 3 0.423800 1.0079 0 - 5904 H2O 1296 H2O H2 3 0.423800 1.0079 0 - 5905 H2O 1297 H2O O1 4 -0.847600 15.9994 0 - 5906 H2O 1297 H2O H1 3 0.423800 1.0079 0 - 5907 H2O 1297 H2O H2 3 0.423800 1.0079 0 - 5908 H2O 1298 H2O O1 4 -0.847600 15.9994 0 - 5909 H2O 1298 H2O H1 3 0.423800 1.0079 0 - 5910 H2O 1298 H2O H2 3 0.423800 1.0079 0 - 5911 H2O 1299 H2O O1 4 -0.847600 15.9994 0 - 5912 H2O 1299 H2O H1 3 0.423800 1.0079 0 - 5913 H2O 1299 H2O H2 3 0.423800 1.0079 0 - 5914 H2O 1300 H2O O1 4 -0.847600 15.9994 0 - 5915 H2O 1300 H2O H1 3 0.423800 1.0079 0 - 5916 H2O 1300 H2O H2 3 0.423800 1.0079 0 - 5917 H2O 1301 H2O O1 4 -0.847600 15.9994 0 - 5918 H2O 1301 H2O H1 3 0.423800 1.0079 0 - 5919 H2O 1301 H2O H2 3 0.423800 1.0079 0 - 5920 H2O 1302 H2O O1 4 -0.847600 15.9994 0 - 5921 H2O 1302 H2O H1 3 0.423800 1.0079 0 - 5922 H2O 1302 H2O H2 3 0.423800 1.0079 0 - 5923 H2O 1303 H2O O1 4 -0.847600 15.9994 0 - 5924 H2O 1303 H2O H1 3 0.423800 1.0079 0 - 5925 H2O 1303 H2O H2 3 0.423800 1.0079 0 - 5926 H2O 1304 H2O O1 4 -0.847600 15.9994 0 - 5927 H2O 1304 H2O H1 3 0.423800 1.0079 0 - 5928 H2O 1304 H2O H2 3 0.423800 1.0079 0 - 5929 H2O 1305 H2O O1 4 -0.847600 15.9994 0 - 5930 H2O 1305 H2O H1 3 0.423800 1.0079 0 - 5931 H2O 1305 H2O H2 3 0.423800 1.0079 0 - 5932 H2O 1306 H2O O1 4 -0.847600 15.9994 0 - 5933 H2O 1306 H2O H1 3 0.423800 1.0079 0 - 5934 H2O 1306 H2O H2 3 0.423800 1.0079 0 - 5935 H2O 1307 H2O O1 4 -0.847600 15.9994 0 - 5936 H2O 1307 H2O H1 3 0.423800 1.0079 0 - 5937 H2O 1307 H2O H2 3 0.423800 1.0079 0 - 5938 H2O 1308 H2O O1 4 -0.847600 15.9994 0 - 5939 H2O 1308 H2O H1 3 0.423800 1.0079 0 - 5940 H2O 1308 H2O H2 3 0.423800 1.0079 0 - 5941 H2O 1309 H2O O1 4 -0.847600 15.9994 0 - 5942 H2O 1309 H2O H1 3 0.423800 1.0079 0 - 5943 H2O 1309 H2O H2 3 0.423800 1.0079 0 - 5944 H2O 1310 H2O O1 4 -0.847600 15.9994 0 - 5945 H2O 1310 H2O H1 3 0.423800 1.0079 0 - 5946 H2O 1310 H2O H2 3 0.423800 1.0079 0 - 5947 H2O 1311 H2O O1 4 -0.847600 15.9994 0 - 5948 H2O 1311 H2O H1 3 0.423800 1.0079 0 - 5949 H2O 1311 H2O H2 3 0.423800 1.0079 0 - 5950 H2O 1312 H2O O1 4 -0.847600 15.9994 0 - 5951 H2O 1312 H2O H1 3 0.423800 1.0079 0 - 5952 H2O 1312 H2O H2 3 0.423800 1.0079 0 - 5953 H2O 1313 H2O O1 4 -0.847600 15.9994 0 - 5954 H2O 1313 H2O H1 3 0.423800 1.0079 0 - 5955 H2O 1313 H2O H2 3 0.423800 1.0079 0 - 5956 H2O 1314 H2O O1 4 -0.847600 15.9994 0 - 5957 H2O 1314 H2O H1 3 0.423800 1.0079 0 - 5958 H2O 1314 H2O H2 3 0.423800 1.0079 0 - 5959 H2O 1315 H2O O1 4 -0.847600 15.9994 0 - 5960 H2O 1315 H2O H1 3 0.423800 1.0079 0 - 5961 H2O 1315 H2O H2 3 0.423800 1.0079 0 - 5962 H2O 1316 H2O O1 4 -0.847600 15.9994 0 - 5963 H2O 1316 H2O H1 3 0.423800 1.0079 0 - 5964 H2O 1316 H2O H2 3 0.423800 1.0079 0 - 5965 H2O 1317 H2O O1 4 -0.847600 15.9994 0 - 5966 H2O 1317 H2O H1 3 0.423800 1.0079 0 - 5967 H2O 1317 H2O H2 3 0.423800 1.0079 0 - 5968 H2O 1318 H2O O1 4 -0.847600 15.9994 0 - 5969 H2O 1318 H2O H1 3 0.423800 1.0079 0 - 5970 H2O 1318 H2O H2 3 0.423800 1.0079 0 - 5971 H2O 1319 H2O O1 4 -0.847600 15.9994 0 - 5972 H2O 1319 H2O H1 3 0.423800 1.0079 0 - 5973 H2O 1319 H2O H2 3 0.423800 1.0079 0 - 5974 H2O 1320 H2O O1 4 -0.847600 15.9994 0 - 5975 H2O 1320 H2O H1 3 0.423800 1.0079 0 - 5976 H2O 1320 H2O H2 3 0.423800 1.0079 0 - 5977 H2O 1321 H2O O1 4 -0.847600 15.9994 0 - 5978 H2O 1321 H2O H1 3 0.423800 1.0079 0 - 5979 H2O 1321 H2O H2 3 0.423800 1.0079 0 - 5980 H2O 1322 H2O O1 4 -0.847600 15.9994 0 - 5981 H2O 1322 H2O H1 3 0.423800 1.0079 0 - 5982 H2O 1322 H2O H2 3 0.423800 1.0079 0 - 5983 H2O 1323 H2O O1 4 -0.847600 15.9994 0 - 5984 H2O 1323 H2O H1 3 0.423800 1.0079 0 - 5985 H2O 1323 H2O H2 3 0.423800 1.0079 0 - 5986 H2O 1324 H2O O1 4 -0.847600 15.9994 0 - 5987 H2O 1324 H2O H1 3 0.423800 1.0079 0 - 5988 H2O 1324 H2O H2 3 0.423800 1.0079 0 - 5989 H2O 1325 H2O O1 4 -0.847600 15.9994 0 - 5990 H2O 1325 H2O H1 3 0.423800 1.0079 0 - 5991 H2O 1325 H2O H2 3 0.423800 1.0079 0 - 5992 H2O 1326 H2O O1 4 -0.847600 15.9994 0 - 5993 H2O 1326 H2O H1 3 0.423800 1.0079 0 - 5994 H2O 1326 H2O H2 3 0.423800 1.0079 0 - 5995 H2O 1327 H2O O1 4 -0.847600 15.9994 0 - 5996 H2O 1327 H2O H1 3 0.423800 1.0079 0 - 5997 H2O 1327 H2O H2 3 0.423800 1.0079 0 - 5998 H2O 1328 H2O O1 4 -0.847600 15.9994 0 - 5999 H2O 1328 H2O H1 3 0.423800 1.0079 0 - 6000 H2O 1328 H2O H2 3 0.423800 1.0079 0 - 6001 H2O 1329 H2O O1 4 -0.847600 15.9994 0 - 6002 H2O 1329 H2O H1 3 0.423800 1.0079 0 - 6003 H2O 1329 H2O H2 3 0.423800 1.0079 0 - 6004 H2O 1330 H2O O1 4 -0.847600 15.9994 0 - 6005 H2O 1330 H2O H1 3 0.423800 1.0079 0 - 6006 H2O 1330 H2O H2 3 0.423800 1.0079 0 - 6007 H2O 1331 H2O O1 4 -0.847600 15.9994 0 - 6008 H2O 1331 H2O H1 3 0.423800 1.0079 0 - 6009 H2O 1331 H2O H2 3 0.423800 1.0079 0 - 6010 H2O 1332 H2O O1 4 -0.847600 15.9994 0 - 6011 H2O 1332 H2O H1 3 0.423800 1.0079 0 - 6012 H2O 1332 H2O H2 3 0.423800 1.0079 0 - 6013 H2O 1333 H2O O1 4 -0.847600 15.9994 0 - 6014 H2O 1333 H2O H1 3 0.423800 1.0079 0 - 6015 H2O 1333 H2O H2 3 0.423800 1.0079 0 - 6016 H2O 1334 H2O O1 4 -0.847600 15.9994 0 - 6017 H2O 1334 H2O H1 3 0.423800 1.0079 0 - 6018 H2O 1334 H2O H2 3 0.423800 1.0079 0 - 6019 H2O 1335 H2O O1 4 -0.847600 15.9994 0 - 6020 H2O 1335 H2O H1 3 0.423800 1.0079 0 - 6021 H2O 1335 H2O H2 3 0.423800 1.0079 0 - 6022 H2O 1336 H2O O1 4 -0.847600 15.9994 0 - 6023 H2O 1336 H2O H1 3 0.423800 1.0079 0 - 6024 H2O 1336 H2O H2 3 0.423800 1.0079 0 - 6025 H2O 1337 H2O O1 4 -0.847600 15.9994 0 - 6026 H2O 1337 H2O H1 3 0.423800 1.0079 0 - 6027 H2O 1337 H2O H2 3 0.423800 1.0079 0 - 6028 H2O 1338 H2O O1 4 -0.847600 15.9994 0 - 6029 H2O 1338 H2O H1 3 0.423800 1.0079 0 - 6030 H2O 1338 H2O H2 3 0.423800 1.0079 0 - 6031 H2O 1339 H2O O1 4 -0.847600 15.9994 0 - 6032 H2O 1339 H2O H1 3 0.423800 1.0079 0 - 6033 H2O 1339 H2O H2 3 0.423800 1.0079 0 - 6034 H2O 1340 H2O O1 4 -0.847600 15.9994 0 - 6035 H2O 1340 H2O H1 3 0.423800 1.0079 0 - 6036 H2O 1340 H2O H2 3 0.423800 1.0079 0 - 6037 H2O 1341 H2O O1 4 -0.847600 15.9994 0 - 6038 H2O 1341 H2O H1 3 0.423800 1.0079 0 - 6039 H2O 1341 H2O H2 3 0.423800 1.0079 0 - 6040 H2O 1342 H2O O1 4 -0.847600 15.9994 0 - 6041 H2O 1342 H2O H1 3 0.423800 1.0079 0 - 6042 H2O 1342 H2O H2 3 0.423800 1.0079 0 - 6043 H2O 1343 H2O O1 4 -0.847600 15.9994 0 - 6044 H2O 1343 H2O H1 3 0.423800 1.0079 0 - 6045 H2O 1343 H2O H2 3 0.423800 1.0079 0 - 6046 H2O 1344 H2O O1 4 -0.847600 15.9994 0 - 6047 H2O 1344 H2O H1 3 0.423800 1.0079 0 - 6048 H2O 1344 H2O H2 3 0.423800 1.0079 0 - 6049 H2O 1345 H2O O1 4 -0.847600 15.9994 0 - 6050 H2O 1345 H2O H1 3 0.423800 1.0079 0 - 6051 H2O 1345 H2O H2 3 0.423800 1.0079 0 - 6052 H2O 1346 H2O O1 4 -0.847600 15.9994 0 - 6053 H2O 1346 H2O H1 3 0.423800 1.0079 0 - 6054 H2O 1346 H2O H2 3 0.423800 1.0079 0 - 6055 H2O 1347 H2O O1 4 -0.847600 15.9994 0 - 6056 H2O 1347 H2O H1 3 0.423800 1.0079 0 - 6057 H2O 1347 H2O H2 3 0.423800 1.0079 0 - 6058 H2O 1348 H2O O1 4 -0.847600 15.9994 0 - 6059 H2O 1348 H2O H1 3 0.423800 1.0079 0 - 6060 H2O 1348 H2O H2 3 0.423800 1.0079 0 - 6061 H2O 1349 H2O O1 4 -0.847600 15.9994 0 - 6062 H2O 1349 H2O H1 3 0.423800 1.0079 0 - 6063 H2O 1349 H2O H2 3 0.423800 1.0079 0 - 6064 H2O 1350 H2O O1 4 -0.847600 15.9994 0 - 6065 H2O 1350 H2O H1 3 0.423800 1.0079 0 - 6066 H2O 1350 H2O H2 3 0.423800 1.0079 0 - 6067 H2O 1351 H2O O1 4 -0.847600 15.9994 0 - 6068 H2O 1351 H2O H1 3 0.423800 1.0079 0 - 6069 H2O 1351 H2O H2 3 0.423800 1.0079 0 - 6070 H2O 1352 H2O O1 4 -0.847600 15.9994 0 - 6071 H2O 1352 H2O H1 3 0.423800 1.0079 0 - 6072 H2O 1352 H2O H2 3 0.423800 1.0079 0 - 6073 H2O 1353 H2O O1 4 -0.847600 15.9994 0 - 6074 H2O 1353 H2O H1 3 0.423800 1.0079 0 - 6075 H2O 1353 H2O H2 3 0.423800 1.0079 0 - 6076 H2O 1354 H2O O1 4 -0.847600 15.9994 0 - 6077 H2O 1354 H2O H1 3 0.423800 1.0079 0 - 6078 H2O 1354 H2O H2 3 0.423800 1.0079 0 - 6079 H2O 1355 H2O O1 4 -0.847600 15.9994 0 - 6080 H2O 1355 H2O H1 3 0.423800 1.0079 0 - 6081 H2O 1355 H2O H2 3 0.423800 1.0079 0 - 6082 H2O 1356 H2O O1 4 -0.847600 15.9994 0 - 6083 H2O 1356 H2O H1 3 0.423800 1.0079 0 - 6084 H2O 1356 H2O H2 3 0.423800 1.0079 0 - 6085 H2O 1357 H2O O1 4 -0.847600 15.9994 0 - 6086 H2O 1357 H2O H1 3 0.423800 1.0079 0 - 6087 H2O 1357 H2O H2 3 0.423800 1.0079 0 - 6088 H2O 1358 H2O O1 4 -0.847600 15.9994 0 - 6089 H2O 1358 H2O H1 3 0.423800 1.0079 0 - 6090 H2O 1358 H2O H2 3 0.423800 1.0079 0 - 6091 H2O 1359 H2O O1 4 -0.847600 15.9994 0 - 6092 H2O 1359 H2O H1 3 0.423800 1.0079 0 - 6093 H2O 1359 H2O H2 3 0.423800 1.0079 0 - 6094 H2O 1360 H2O O1 4 -0.847600 15.9994 0 - 6095 H2O 1360 H2O H1 3 0.423800 1.0079 0 - 6096 H2O 1360 H2O H2 3 0.423800 1.0079 0 - 6097 H2O 1361 H2O O1 4 -0.847600 15.9994 0 - 6098 H2O 1361 H2O H1 3 0.423800 1.0079 0 - 6099 H2O 1361 H2O H2 3 0.423800 1.0079 0 - 6100 H2O 1362 H2O O1 4 -0.847600 15.9994 0 - 6101 H2O 1362 H2O H1 3 0.423800 1.0079 0 - 6102 H2O 1362 H2O H2 3 0.423800 1.0079 0 - 6103 H2O 1363 H2O O1 4 -0.847600 15.9994 0 - 6104 H2O 1363 H2O H1 3 0.423800 1.0079 0 - 6105 H2O 1363 H2O H2 3 0.423800 1.0079 0 - 6106 H2O 1364 H2O O1 4 -0.847600 15.9994 0 - 6107 H2O 1364 H2O H1 3 0.423800 1.0079 0 - 6108 H2O 1364 H2O H2 3 0.423800 1.0079 0 - 6109 H2O 1365 H2O O1 4 -0.847600 15.9994 0 - 6110 H2O 1365 H2O H1 3 0.423800 1.0079 0 - 6111 H2O 1365 H2O H2 3 0.423800 1.0079 0 - 6112 H2O 1366 H2O O1 4 -0.847600 15.9994 0 - 6113 H2O 1366 H2O H1 3 0.423800 1.0079 0 - 6114 H2O 1366 H2O H2 3 0.423800 1.0079 0 - 6115 H2O 1367 H2O O1 4 -0.847600 15.9994 0 - 6116 H2O 1367 H2O H1 3 0.423800 1.0079 0 - 6117 H2O 1367 H2O H2 3 0.423800 1.0079 0 - 6118 H2O 1368 H2O O1 4 -0.847600 15.9994 0 - 6119 H2O 1368 H2O H1 3 0.423800 1.0079 0 - 6120 H2O 1368 H2O H2 3 0.423800 1.0079 0 - 6121 H2O 1369 H2O O1 4 -0.847600 15.9994 0 - 6122 H2O 1369 H2O H1 3 0.423800 1.0079 0 - 6123 H2O 1369 H2O H2 3 0.423800 1.0079 0 - 6124 H2O 1370 H2O O1 4 -0.847600 15.9994 0 - 6125 H2O 1370 H2O H1 3 0.423800 1.0079 0 - 6126 H2O 1370 H2O H2 3 0.423800 1.0079 0 - 6127 H2O 1371 H2O O1 4 -0.847600 15.9994 0 - 6128 H2O 1371 H2O H1 3 0.423800 1.0079 0 - 6129 H2O 1371 H2O H2 3 0.423800 1.0079 0 - 6130 H2O 1372 H2O O1 4 -0.847600 15.9994 0 - 6131 H2O 1372 H2O H1 3 0.423800 1.0079 0 - 6132 H2O 1372 H2O H2 3 0.423800 1.0079 0 - 6133 H2O 1373 H2O O1 4 -0.847600 15.9994 0 - 6134 H2O 1373 H2O H1 3 0.423800 1.0079 0 - 6135 H2O 1373 H2O H2 3 0.423800 1.0079 0 - 6136 H2O 1374 H2O O1 4 -0.847600 15.9994 0 - 6137 H2O 1374 H2O H1 3 0.423800 1.0079 0 - 6138 H2O 1374 H2O H2 3 0.423800 1.0079 0 - 6139 H2O 1375 H2O O1 4 -0.847600 15.9994 0 - 6140 H2O 1375 H2O H1 3 0.423800 1.0079 0 - 6141 H2O 1375 H2O H2 3 0.423800 1.0079 0 - 6142 H2O 1376 H2O O1 4 -0.847600 15.9994 0 - 6143 H2O 1376 H2O H1 3 0.423800 1.0079 0 - 6144 H2O 1376 H2O H2 3 0.423800 1.0079 0 - 6145 H2O 1377 H2O O1 4 -0.847600 15.9994 0 - 6146 H2O 1377 H2O H1 3 0.423800 1.0079 0 - 6147 H2O 1377 H2O H2 3 0.423800 1.0079 0 - 6148 H2O 1378 H2O O1 4 -0.847600 15.9994 0 - 6149 H2O 1378 H2O H1 3 0.423800 1.0079 0 - 6150 H2O 1378 H2O H2 3 0.423800 1.0079 0 - 6151 H2O 1379 H2O O1 4 -0.847600 15.9994 0 - 6152 H2O 1379 H2O H1 3 0.423800 1.0079 0 - 6153 H2O 1379 H2O H2 3 0.423800 1.0079 0 - 6154 H2O 1380 H2O O1 4 -0.847600 15.9994 0 - 6155 H2O 1380 H2O H1 3 0.423800 1.0079 0 - 6156 H2O 1380 H2O H2 3 0.423800 1.0079 0 - 6157 H2O 1381 H2O O1 4 -0.847600 15.9994 0 - 6158 H2O 1381 H2O H1 3 0.423800 1.0079 0 - 6159 H2O 1381 H2O H2 3 0.423800 1.0079 0 - 6160 H2O 1382 H2O O1 4 -0.847600 15.9994 0 - 6161 H2O 1382 H2O H1 3 0.423800 1.0079 0 - 6162 H2O 1382 H2O H2 3 0.423800 1.0079 0 - 6163 H2O 1383 H2O O1 4 -0.847600 15.9994 0 - 6164 H2O 1383 H2O H1 3 0.423800 1.0079 0 - 6165 H2O 1383 H2O H2 3 0.423800 1.0079 0 - 6166 H2O 1384 H2O O1 4 -0.847600 15.9994 0 - 6167 H2O 1384 H2O H1 3 0.423800 1.0079 0 - 6168 H2O 1384 H2O H2 3 0.423800 1.0079 0 - 6169 H2O 1385 H2O O1 4 -0.847600 15.9994 0 - 6170 H2O 1385 H2O H1 3 0.423800 1.0079 0 - 6171 H2O 1385 H2O H2 3 0.423800 1.0079 0 - 6172 H2O 1386 H2O O1 4 -0.847600 15.9994 0 - 6173 H2O 1386 H2O H1 3 0.423800 1.0079 0 - 6174 H2O 1386 H2O H2 3 0.423800 1.0079 0 - 6175 H2O 1387 H2O O1 4 -0.847600 15.9994 0 - 6176 H2O 1387 H2O H1 3 0.423800 1.0079 0 - 6177 H2O 1387 H2O H2 3 0.423800 1.0079 0 - 6178 H2O 1388 H2O O1 4 -0.847600 15.9994 0 - 6179 H2O 1388 H2O H1 3 0.423800 1.0079 0 - 6180 H2O 1388 H2O H2 3 0.423800 1.0079 0 - 6181 H2O 1389 H2O O1 4 -0.847600 15.9994 0 - 6182 H2O 1389 H2O H1 3 0.423800 1.0079 0 - 6183 H2O 1389 H2O H2 3 0.423800 1.0079 0 - 6184 H2O 1390 H2O O1 4 -0.847600 15.9994 0 - 6185 H2O 1390 H2O H1 3 0.423800 1.0079 0 - 6186 H2O 1390 H2O H2 3 0.423800 1.0079 0 - 6187 H2O 1391 H2O O1 4 -0.847600 15.9994 0 - 6188 H2O 1391 H2O H1 3 0.423800 1.0079 0 - 6189 H2O 1391 H2O H2 3 0.423800 1.0079 0 - 6190 H2O 1392 H2O O1 4 -0.847600 15.9994 0 - 6191 H2O 1392 H2O H1 3 0.423800 1.0079 0 - 6192 H2O 1392 H2O H2 3 0.423800 1.0079 0 - 6193 H2O 1393 H2O O1 4 -0.847600 15.9994 0 - 6194 H2O 1393 H2O H1 3 0.423800 1.0079 0 - 6195 H2O 1393 H2O H2 3 0.423800 1.0079 0 - 6196 H2O 1394 H2O O1 4 -0.847600 15.9994 0 - 6197 H2O 1394 H2O H1 3 0.423800 1.0079 0 - 6198 H2O 1394 H2O H2 3 0.423800 1.0079 0 - 6199 H2O 1395 H2O O1 4 -0.847600 15.9994 0 - 6200 H2O 1395 H2O H1 3 0.423800 1.0079 0 - 6201 H2O 1395 H2O H2 3 0.423800 1.0079 0 - 6202 H2O 1396 H2O O1 4 -0.847600 15.9994 0 - 6203 H2O 1396 H2O H1 3 0.423800 1.0079 0 - 6204 H2O 1396 H2O H2 3 0.423800 1.0079 0 - 6205 H2O 1397 H2O O1 4 -0.847600 15.9994 0 - 6206 H2O 1397 H2O H1 3 0.423800 1.0079 0 - 6207 H2O 1397 H2O H2 3 0.423800 1.0079 0 - 6208 H2O 1398 H2O O1 4 -0.847600 15.9994 0 - 6209 H2O 1398 H2O H1 3 0.423800 1.0079 0 - 6210 H2O 1398 H2O H2 3 0.423800 1.0079 0 - 6211 H2O 1399 H2O O1 4 -0.847600 15.9994 0 - 6212 H2O 1399 H2O H1 3 0.423800 1.0079 0 - 6213 H2O 1399 H2O H2 3 0.423800 1.0079 0 - 6214 H2O 1400 H2O O1 4 -0.847600 15.9994 0 - 6215 H2O 1400 H2O H1 3 0.423800 1.0079 0 - 6216 H2O 1400 H2O H2 3 0.423800 1.0079 0 - 6217 H2O 1401 H2O O1 4 -0.847600 15.9994 0 - 6218 H2O 1401 H2O H1 3 0.423800 1.0079 0 - 6219 H2O 1401 H2O H2 3 0.423800 1.0079 0 - 6220 H2O 1402 H2O O1 4 -0.847600 15.9994 0 - 6221 H2O 1402 H2O H1 3 0.423800 1.0079 0 - 6222 H2O 1402 H2O H2 3 0.423800 1.0079 0 - 6223 H2O 1403 H2O O1 4 -0.847600 15.9994 0 - 6224 H2O 1403 H2O H1 3 0.423800 1.0079 0 - 6225 H2O 1403 H2O H2 3 0.423800 1.0079 0 - 6226 H2O 1404 H2O O1 4 -0.847600 15.9994 0 - 6227 H2O 1404 H2O H1 3 0.423800 1.0079 0 - 6228 H2O 1404 H2O H2 3 0.423800 1.0079 0 - 6229 H2O 1405 H2O O1 4 -0.847600 15.9994 0 - 6230 H2O 1405 H2O H1 3 0.423800 1.0079 0 - 6231 H2O 1405 H2O H2 3 0.423800 1.0079 0 - 6232 H2O 1406 H2O O1 4 -0.847600 15.9994 0 - 6233 H2O 1406 H2O H1 3 0.423800 1.0079 0 - 6234 H2O 1406 H2O H2 3 0.423800 1.0079 0 - 6235 H2O 1407 H2O O1 4 -0.847600 15.9994 0 - 6236 H2O 1407 H2O H1 3 0.423800 1.0079 0 - 6237 H2O 1407 H2O H2 3 0.423800 1.0079 0 - 6238 H2O 1408 H2O O1 4 -0.847600 15.9994 0 - 6239 H2O 1408 H2O H1 3 0.423800 1.0079 0 - 6240 H2O 1408 H2O H2 3 0.423800 1.0079 0 - 6241 H2O 1409 H2O O1 4 -0.847600 15.9994 0 - 6242 H2O 1409 H2O H1 3 0.423800 1.0079 0 - 6243 H2O 1409 H2O H2 3 0.423800 1.0079 0 - 6244 H2O 1410 H2O O1 4 -0.847600 15.9994 0 - 6245 H2O 1410 H2O H1 3 0.423800 1.0079 0 - 6246 H2O 1410 H2O H2 3 0.423800 1.0079 0 - 6247 H2O 1411 H2O O1 4 -0.847600 15.9994 0 - 6248 H2O 1411 H2O H1 3 0.423800 1.0079 0 - 6249 H2O 1411 H2O H2 3 0.423800 1.0079 0 - 6250 H2O 1412 H2O O1 4 -0.847600 15.9994 0 - 6251 H2O 1412 H2O H1 3 0.423800 1.0079 0 - 6252 H2O 1412 H2O H2 3 0.423800 1.0079 0 - 6253 H2O 1413 H2O O1 4 -0.847600 15.9994 0 - 6254 H2O 1413 H2O H1 3 0.423800 1.0079 0 - 6255 H2O 1413 H2O H2 3 0.423800 1.0079 0 - 6256 H2O 1414 H2O O1 4 -0.847600 15.9994 0 - 6257 H2O 1414 H2O H1 3 0.423800 1.0079 0 - 6258 H2O 1414 H2O H2 3 0.423800 1.0079 0 - 6259 H2O 1415 H2O O1 4 -0.847600 15.9994 0 - 6260 H2O 1415 H2O H1 3 0.423800 1.0079 0 - 6261 H2O 1415 H2O H2 3 0.423800 1.0079 0 - 6262 H2O 1416 H2O O1 4 -0.847600 15.9994 0 - 6263 H2O 1416 H2O H1 3 0.423800 1.0079 0 - 6264 H2O 1416 H2O H2 3 0.423800 1.0079 0 - 6265 H2O 1417 H2O O1 4 -0.847600 15.9994 0 - 6266 H2O 1417 H2O H1 3 0.423800 1.0079 0 - 6267 H2O 1417 H2O H2 3 0.423800 1.0079 0 - 6268 H2O 1418 H2O O1 4 -0.847600 15.9994 0 - 6269 H2O 1418 H2O H1 3 0.423800 1.0079 0 - 6270 H2O 1418 H2O H2 3 0.423800 1.0079 0 - 6271 H2O 1419 H2O O1 4 -0.847600 15.9994 0 - 6272 H2O 1419 H2O H1 3 0.423800 1.0079 0 - 6273 H2O 1419 H2O H2 3 0.423800 1.0079 0 - 6274 H2O 1420 H2O O1 4 -0.847600 15.9994 0 - 6275 H2O 1420 H2O H1 3 0.423800 1.0079 0 - 6276 H2O 1420 H2O H2 3 0.423800 1.0079 0 - 6277 H2O 1421 H2O O1 4 -0.847600 15.9994 0 - 6278 H2O 1421 H2O H1 3 0.423800 1.0079 0 - 6279 H2O 1421 H2O H2 3 0.423800 1.0079 0 - 6280 H2O 1422 H2O O1 4 -0.847600 15.9994 0 - 6281 H2O 1422 H2O H1 3 0.423800 1.0079 0 - 6282 H2O 1422 H2O H2 3 0.423800 1.0079 0 - 6283 H2O 1423 H2O O1 4 -0.847600 15.9994 0 - 6284 H2O 1423 H2O H1 3 0.423800 1.0079 0 - 6285 H2O 1423 H2O H2 3 0.423800 1.0079 0 - 6286 H2O 1424 H2O O1 4 -0.847600 15.9994 0 - 6287 H2O 1424 H2O H1 3 0.423800 1.0079 0 - 6288 H2O 1424 H2O H2 3 0.423800 1.0079 0 - 6289 H2O 1425 H2O O1 4 -0.847600 15.9994 0 - 6290 H2O 1425 H2O H1 3 0.423800 1.0079 0 - 6291 H2O 1425 H2O H2 3 0.423800 1.0079 0 - 6292 H2O 1426 H2O O1 4 -0.847600 15.9994 0 - 6293 H2O 1426 H2O H1 3 0.423800 1.0079 0 - 6294 H2O 1426 H2O H2 3 0.423800 1.0079 0 - 6295 H2O 1427 H2O O1 4 -0.847600 15.9994 0 - 6296 H2O 1427 H2O H1 3 0.423800 1.0079 0 - 6297 H2O 1427 H2O H2 3 0.423800 1.0079 0 - 6298 H2O 1428 H2O O1 4 -0.847600 15.9994 0 - 6299 H2O 1428 H2O H1 3 0.423800 1.0079 0 - 6300 H2O 1428 H2O H2 3 0.423800 1.0079 0 - 6301 H2O 1429 H2O O1 4 -0.847600 15.9994 0 - 6302 H2O 1429 H2O H1 3 0.423800 1.0079 0 - 6303 H2O 1429 H2O H2 3 0.423800 1.0079 0 - 6304 H2O 1430 H2O O1 4 -0.847600 15.9994 0 - 6305 H2O 1430 H2O H1 3 0.423800 1.0079 0 - 6306 H2O 1430 H2O H2 3 0.423800 1.0079 0 - 6307 H2O 1431 H2O O1 4 -0.847600 15.9994 0 - 6308 H2O 1431 H2O H1 3 0.423800 1.0079 0 - 6309 H2O 1431 H2O H2 3 0.423800 1.0079 0 - 6310 H2O 1432 H2O O1 4 -0.847600 15.9994 0 - 6311 H2O 1432 H2O H1 3 0.423800 1.0079 0 - 6312 H2O 1432 H2O H2 3 0.423800 1.0079 0 - 6313 H2O 1433 H2O O1 4 -0.847600 15.9994 0 - 6314 H2O 1433 H2O H1 3 0.423800 1.0079 0 - 6315 H2O 1433 H2O H2 3 0.423800 1.0079 0 - 6316 H2O 1434 H2O O1 4 -0.847600 15.9994 0 - 6317 H2O 1434 H2O H1 3 0.423800 1.0079 0 - 6318 H2O 1434 H2O H2 3 0.423800 1.0079 0 - 6319 H2O 1435 H2O O1 4 -0.847600 15.9994 0 - 6320 H2O 1435 H2O H1 3 0.423800 1.0079 0 - 6321 H2O 1435 H2O H2 3 0.423800 1.0079 0 - 6322 H2O 1436 H2O O1 4 -0.847600 15.9994 0 - 6323 H2O 1436 H2O H1 3 0.423800 1.0079 0 - 6324 H2O 1436 H2O H2 3 0.423800 1.0079 0 - 6325 H2O 1437 H2O O1 4 -0.847600 15.9994 0 - 6326 H2O 1437 H2O H1 3 0.423800 1.0079 0 - 6327 H2O 1437 H2O H2 3 0.423800 1.0079 0 - 6328 H2O 1438 H2O O1 4 -0.847600 15.9994 0 - 6329 H2O 1438 H2O H1 3 0.423800 1.0079 0 - 6330 H2O 1438 H2O H2 3 0.423800 1.0079 0 - 6331 H2O 1439 H2O O1 4 -0.847600 15.9994 0 - 6332 H2O 1439 H2O H1 3 0.423800 1.0079 0 - 6333 H2O 1439 H2O H2 3 0.423800 1.0079 0 - 6334 H2O 1440 H2O O1 4 -0.847600 15.9994 0 - 6335 H2O 1440 H2O H1 3 0.423800 1.0079 0 - 6336 H2O 1440 H2O H2 3 0.423800 1.0079 0 - 6337 H2O 1441 H2O O1 4 -0.847600 15.9994 0 - 6338 H2O 1441 H2O H1 3 0.423800 1.0079 0 - 6339 H2O 1441 H2O H2 3 0.423800 1.0079 0 - 6340 H2O 1442 H2O O1 4 -0.847600 15.9994 0 - 6341 H2O 1442 H2O H1 3 0.423800 1.0079 0 - 6342 H2O 1442 H2O H2 3 0.423800 1.0079 0 - 6343 H2O 1443 H2O O1 4 -0.847600 15.9994 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1.0079 0 - 6367 H2O 1451 H2O O1 4 -0.847600 15.9994 0 - 6368 H2O 1451 H2O H1 3 0.423800 1.0079 0 - 6369 H2O 1451 H2O H2 3 0.423800 1.0079 0 - 6370 H2O 1452 H2O O1 4 -0.847600 15.9994 0 - 6371 H2O 1452 H2O H1 3 0.423800 1.0079 0 - 6372 H2O 1452 H2O H2 3 0.423800 1.0079 0 - 6373 H2O 1453 H2O O1 4 -0.847600 15.9994 0 - 6374 H2O 1453 H2O H1 3 0.423800 1.0079 0 - 6375 H2O 1453 H2O H2 3 0.423800 1.0079 0 - 6376 H2O 1454 H2O O1 4 -0.847600 15.9994 0 - 6377 H2O 1454 H2O H1 3 0.423800 1.0079 0 - 6378 H2O 1454 H2O H2 3 0.423800 1.0079 0 - 6379 H2O 1455 H2O O1 4 -0.847600 15.9994 0 - 6380 H2O 1455 H2O H1 3 0.423800 1.0079 0 - 6381 H2O 1455 H2O H2 3 0.423800 1.0079 0 - 6382 H2O 1456 H2O O1 4 -0.847600 15.9994 0 - 6383 H2O 1456 H2O H1 3 0.423800 1.0079 0 - 6384 H2O 1456 H2O H2 3 0.423800 1.0079 0 - 6385 H2O 1457 H2O O1 4 -0.847600 15.9994 0 - 6386 H2O 1457 H2O H1 3 0.423800 1.0079 0 - 6387 H2O 1457 H2O H2 3 0.423800 1.0079 0 - 6388 H2O 1458 H2O O1 4 -0.847600 15.9994 0 - 6389 H2O 1458 H2O H1 3 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4 -0.847600 15.9994 0 - 6413 H2O 1466 H2O H1 3 0.423800 1.0079 0 - 6414 H2O 1466 H2O H2 3 0.423800 1.0079 0 - 6415 H2O 1467 H2O O1 4 -0.847600 15.9994 0 - 6416 H2O 1467 H2O H1 3 0.423800 1.0079 0 - 6417 H2O 1467 H2O H2 3 0.423800 1.0079 0 - 6418 H2O 1468 H2O O1 4 -0.847600 15.9994 0 - 6419 H2O 1468 H2O H1 3 0.423800 1.0079 0 - 6420 H2O 1468 H2O H2 3 0.423800 1.0079 0 - 6421 H2O 1469 H2O O1 4 -0.847600 15.9994 0 - 6422 H2O 1469 H2O H1 3 0.423800 1.0079 0 - 6423 H2O 1469 H2O H2 3 0.423800 1.0079 0 - 6424 H2O 1470 H2O O1 4 -0.847600 15.9994 0 - 6425 H2O 1470 H2O H1 3 0.423800 1.0079 0 - 6426 H2O 1470 H2O H2 3 0.423800 1.0079 0 - 6427 H2O 1471 H2O O1 4 -0.847600 15.9994 0 - 6428 H2O 1471 H2O H1 3 0.423800 1.0079 0 - 6429 H2O 1471 H2O H2 3 0.423800 1.0079 0 - 6430 H2O 1472 H2O O1 4 -0.847600 15.9994 0 - 6431 H2O 1472 H2O H1 3 0.423800 1.0079 0 - 6432 H2O 1472 H2O H2 3 0.423800 1.0079 0 - 6433 H2O 1473 H2O O1 4 -0.847600 15.9994 0 - 6434 H2O 1473 H2O H1 3 0.423800 1.0079 0 - 6435 H2O 1473 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1481 H2O H1 3 0.423800 1.0079 0 - 6459 H2O 1481 H2O H2 3 0.423800 1.0079 0 - 6460 H2O 1482 H2O O1 4 -0.847600 15.9994 0 - 6461 H2O 1482 H2O H1 3 0.423800 1.0079 0 - 6462 H2O 1482 H2O H2 3 0.423800 1.0079 0 - 6463 H2O 1483 H2O O1 4 -0.847600 15.9994 0 - 6464 H2O 1483 H2O H1 3 0.423800 1.0079 0 - 6465 H2O 1483 H2O H2 3 0.423800 1.0079 0 - 6466 H2O 1484 H2O O1 4 -0.847600 15.9994 0 - 6467 H2O 1484 H2O H1 3 0.423800 1.0079 0 - 6468 H2O 1484 H2O H2 3 0.423800 1.0079 0 - 6469 H2O 1485 H2O O1 4 -0.847600 15.9994 0 - 6470 H2O 1485 H2O H1 3 0.423800 1.0079 0 - 6471 H2O 1485 H2O H2 3 0.423800 1.0079 0 - 6472 H2O 1486 H2O O1 4 -0.847600 15.9994 0 - 6473 H2O 1486 H2O H1 3 0.423800 1.0079 0 - 6474 H2O 1486 H2O H2 3 0.423800 1.0079 0 - 6475 H2O 1487 H2O O1 4 -0.847600 15.9994 0 - 6476 H2O 1487 H2O H1 3 0.423800 1.0079 0 - 6477 H2O 1487 H2O H2 3 0.423800 1.0079 0 - 6478 H2O 1488 H2O O1 4 -0.847600 15.9994 0 - 6479 H2O 1488 H2O H1 3 0.423800 1.0079 0 - 6480 H2O 1488 H2O H2 3 0.423800 1.0079 0 - 6481 H2O 1489 H2O O1 4 -0.847600 15.9994 0 - 6482 H2O 1489 H2O H1 3 0.423800 1.0079 0 - 6483 H2O 1489 H2O H2 3 0.423800 1.0079 0 - 6484 H2O 1490 H2O O1 4 -0.847600 15.9994 0 - 6485 H2O 1490 H2O H1 3 0.423800 1.0079 0 - 6486 H2O 1490 H2O H2 3 0.423800 1.0079 0 - 6487 H2O 1491 H2O O1 4 -0.847600 15.9994 0 - 6488 H2O 1491 H2O H1 3 0.423800 1.0079 0 - 6489 H2O 1491 H2O H2 3 0.423800 1.0079 0 - 6490 H2O 1492 H2O O1 4 -0.847600 15.9994 0 - 6491 H2O 1492 H2O H1 3 0.423800 1.0079 0 - 6492 H2O 1492 H2O H2 3 0.423800 1.0079 0 - 6493 H2O 1493 H2O O1 4 -0.847600 15.9994 0 - 6494 H2O 1493 H2O H1 3 0.423800 1.0079 0 - 6495 H2O 1493 H2O H2 3 0.423800 1.0079 0 - 6496 H2O 1494 H2O O1 4 -0.847600 15.9994 0 - 6497 H2O 1494 H2O H1 3 0.423800 1.0079 0 - 6498 H2O 1494 H2O H2 3 0.423800 1.0079 0 - 6499 H2O 1495 H2O O1 4 -0.847600 15.9994 0 - 6500 H2O 1495 H2O H1 3 0.423800 1.0079 0 - 6501 H2O 1495 H2O H2 3 0.423800 1.0079 0 - 6502 H2O 1496 H2O O1 4 -0.847600 15.9994 0 - 6503 H2O 1496 H2O H1 3 0.423800 1.0079 0 - 6504 H2O 1496 H2O H2 3 0.423800 1.0079 0 - 6505 H2O 1497 H2O O1 4 -0.847600 15.9994 0 - 6506 H2O 1497 H2O H1 3 0.423800 1.0079 0 - 6507 H2O 1497 H2O H2 3 0.423800 1.0079 0 - 6508 H2O 1498 H2O O1 4 -0.847600 15.9994 0 - 6509 H2O 1498 H2O H1 3 0.423800 1.0079 0 - 6510 H2O 1498 H2O H2 3 0.423800 1.0079 0 - 6511 H2O 1499 H2O O1 4 -0.847600 15.9994 0 - 6512 H2O 1499 H2O H1 3 0.423800 1.0079 0 - 6513 H2O 1499 H2O H2 3 0.423800 1.0079 0 - 6514 H2O 1500 H2O O1 4 -0.847600 15.9994 0 - 6515 H2O 1500 H2O H1 3 0.423800 1.0079 0 - 6516 H2O 1500 H2O H2 3 0.423800 1.0079 0 - 6517 H2O 1501 H2O O1 4 -0.847600 15.9994 0 - 6518 H2O 1501 H2O H1 3 0.423800 1.0079 0 - 6519 H2O 1501 H2O H2 3 0.423800 1.0079 0 - 6520 H2O 1502 H2O O1 4 -0.847600 15.9994 0 - 6521 H2O 1502 H2O H1 3 0.423800 1.0079 0 - 6522 H2O 1502 H2O H2 3 0.423800 1.0079 0 - 6523 H2O 1503 H2O O1 4 -0.847600 15.9994 0 - 6524 H2O 1503 H2O H1 3 0.423800 1.0079 0 - 6525 H2O 1503 H2O H2 3 0.423800 1.0079 0 - 6526 H2O 1504 H2O O1 4 -0.847600 15.9994 0 - 6527 H2O 1504 H2O H1 3 0.423800 1.0079 0 - 6528 H2O 1504 H2O H2 3 0.423800 1.0079 0 - 6529 H2O 1505 H2O O1 4 -0.847600 15.9994 0 - 6530 H2O 1505 H2O H1 3 0.423800 1.0079 0 - 6531 H2O 1505 H2O H2 3 0.423800 1.0079 0 - 6532 H2O 1506 H2O O1 4 -0.847600 15.9994 0 - 6533 H2O 1506 H2O H1 3 0.423800 1.0079 0 - 6534 H2O 1506 H2O H2 3 0.423800 1.0079 0 - 6535 H2O 1507 H2O O1 4 -0.847600 15.9994 0 - 6536 H2O 1507 H2O H1 3 0.423800 1.0079 0 - 6537 H2O 1507 H2O H2 3 0.423800 1.0079 0 - 6538 H2O 1508 H2O O1 4 -0.847600 15.9994 0 - 6539 H2O 1508 H2O H1 3 0.423800 1.0079 0 - 6540 H2O 1508 H2O H2 3 0.423800 1.0079 0 - 6541 H2O 1509 H2O O1 4 -0.847600 15.9994 0 - 6542 H2O 1509 H2O H1 3 0.423800 1.0079 0 - 6543 H2O 1509 H2O H2 3 0.423800 1.0079 0 - 6544 H2O 1510 H2O O1 4 -0.847600 15.9994 0 - 6545 H2O 1510 H2O H1 3 0.423800 1.0079 0 - 6546 H2O 1510 H2O H2 3 0.423800 1.0079 0 - 6547 H2O 1511 H2O O1 4 -0.847600 15.9994 0 - 6548 H2O 1511 H2O H1 3 0.423800 1.0079 0 - 6549 H2O 1511 H2O H2 3 0.423800 1.0079 0 - 6550 H2O 1512 H2O O1 4 -0.847600 15.9994 0 - 6551 H2O 1512 H2O H1 3 0.423800 1.0079 0 - 6552 H2O 1512 H2O H2 3 0.423800 1.0079 0 - 6553 H2O 1513 H2O O1 4 -0.847600 15.9994 0 - 6554 H2O 1513 H2O H1 3 0.423800 1.0079 0 - 6555 H2O 1513 H2O H2 3 0.423800 1.0079 0 - 6556 H2O 1514 H2O O1 4 -0.847600 15.9994 0 - 6557 H2O 1514 H2O H1 3 0.423800 1.0079 0 - 6558 H2O 1514 H2O H2 3 0.423800 1.0079 0 - 6559 H2O 1515 H2O O1 4 -0.847600 15.9994 0 - 6560 H2O 1515 H2O H1 3 0.423800 1.0079 0 - 6561 H2O 1515 H2O H2 3 0.423800 1.0079 0 - 6562 H2O 1516 H2O O1 4 -0.847600 15.9994 0 - 6563 H2O 1516 H2O H1 3 0.423800 1.0079 0 - 6564 H2O 1516 H2O H2 3 0.423800 1.0079 0 - 6565 H2O 1517 H2O O1 4 -0.847600 15.9994 0 - 6566 H2O 1517 H2O H1 3 0.423800 1.0079 0 - 6567 H2O 1517 H2O H2 3 0.423800 1.0079 0 - 6568 H2O 1518 H2O O1 4 -0.847600 15.9994 0 - 6569 H2O 1518 H2O H1 3 0.423800 1.0079 0 - 6570 H2O 1518 H2O H2 3 0.423800 1.0079 0 - 6571 H2O 1519 H2O O1 4 -0.847600 15.9994 0 - 6572 H2O 1519 H2O H1 3 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4 -0.847600 15.9994 0 - 6596 H2O 1527 H2O H1 3 0.423800 1.0079 0 - 6597 H2O 1527 H2O H2 3 0.423800 1.0079 0 - 6598 H2O 1528 H2O O1 4 -0.847600 15.9994 0 - 6599 H2O 1528 H2O H1 3 0.423800 1.0079 0 - 6600 H2O 1528 H2O H2 3 0.423800 1.0079 0 - 6601 H2O 1529 H2O O1 4 -0.847600 15.9994 0 - 6602 H2O 1529 H2O H1 3 0.423800 1.0079 0 - 6603 H2O 1529 H2O H2 3 0.423800 1.0079 0 - 6604 H2O 1530 H2O O1 4 -0.847600 15.9994 0 - 6605 H2O 1530 H2O H1 3 0.423800 1.0079 0 - 6606 H2O 1530 H2O H2 3 0.423800 1.0079 0 - 6607 H2O 1531 H2O O1 4 -0.847600 15.9994 0 - 6608 H2O 1531 H2O H1 3 0.423800 1.0079 0 - 6609 H2O 1531 H2O H2 3 0.423800 1.0079 0 - 6610 H2O 1532 H2O O1 4 -0.847600 15.9994 0 - 6611 H2O 1532 H2O H1 3 0.423800 1.0079 0 - 6612 H2O 1532 H2O H2 3 0.423800 1.0079 0 - 6613 H2O 1533 H2O O1 4 -0.847600 15.9994 0 - 6614 H2O 1533 H2O H1 3 0.423800 1.0079 0 - 6615 H2O 1533 H2O H2 3 0.423800 1.0079 0 - 6616 H2O 1534 H2O O1 4 -0.847600 15.9994 0 - 6617 H2O 1534 H2O H1 3 0.423800 1.0079 0 - 6618 H2O 1534 H2O H2 3 0.423800 1.0079 0 - 6619 H2O 1535 H2O O1 4 -0.847600 15.9994 0 - 6620 H2O 1535 H2O H1 3 0.423800 1.0079 0 - 6621 H2O 1535 H2O H2 3 0.423800 1.0079 0 - 6622 H2O 1536 H2O O1 4 -0.847600 15.9994 0 - 6623 H2O 1536 H2O H1 3 0.423800 1.0079 0 - 6624 H2O 1536 H2O H2 3 0.423800 1.0079 0 - 6625 H2O 1537 H2O O1 4 -0.847600 15.9994 0 - 6626 H2O 1537 H2O H1 3 0.423800 1.0079 0 - 6627 H2O 1537 H2O H2 3 0.423800 1.0079 0 - 6628 H2O 1538 H2O O1 4 -0.847600 15.9994 0 - 6629 H2O 1538 H2O H1 3 0.423800 1.0079 0 - 6630 H2O 1538 H2O H2 3 0.423800 1.0079 0 - 6631 H2O 1539 H2O O1 4 -0.847600 15.9994 0 - 6632 H2O 1539 H2O H1 3 0.423800 1.0079 0 - 6633 H2O 1539 H2O H2 3 0.423800 1.0079 0 - 6634 H2O 1540 H2O O1 4 -0.847600 15.9994 0 - 6635 H2O 1540 H2O H1 3 0.423800 1.0079 0 - 6636 H2O 1540 H2O H2 3 0.423800 1.0079 0 - 6637 H2O 1541 H2O O1 4 -0.847600 15.9994 0 - 6638 H2O 1541 H2O H1 3 0.423800 1.0079 0 - 6639 H2O 1541 H2O H2 3 0.423800 1.0079 0 - 6640 H2O 1542 H2O O1 4 -0.847600 15.9994 0 - 6641 H2O 1542 H2O H1 3 0.423800 1.0079 0 - 6642 H2O 1542 H2O H2 3 0.423800 1.0079 0 - 6643 H2O 1543 H2O O1 4 -0.847600 15.9994 0 - 6644 H2O 1543 H2O H1 3 0.423800 1.0079 0 - 6645 H2O 1543 H2O H2 3 0.423800 1.0079 0 - 6646 H2O 1544 H2O O1 4 -0.847600 15.9994 0 - 6647 H2O 1544 H2O H1 3 0.423800 1.0079 0 - 6648 H2O 1544 H2O H2 3 0.423800 1.0079 0 - 6649 H2O 1545 H2O O1 4 -0.847600 15.9994 0 - 6650 H2O 1545 H2O H1 3 0.423800 1.0079 0 - 6651 H2O 1545 H2O H2 3 0.423800 1.0079 0 - 6652 H2O 1546 H2O O1 4 -0.847600 15.9994 0 - 6653 H2O 1546 H2O H1 3 0.423800 1.0079 0 - 6654 H2O 1546 H2O H2 3 0.423800 1.0079 0 - 6655 H2O 1547 H2O O1 4 -0.847600 15.9994 0 - 6656 H2O 1547 H2O H1 3 0.423800 1.0079 0 - 6657 H2O 1547 H2O H2 3 0.423800 1.0079 0 - 6658 H2O 1548 H2O O1 4 -0.847600 15.9994 0 - 6659 H2O 1548 H2O H1 3 0.423800 1.0079 0 - 6660 H2O 1548 H2O H2 3 0.423800 1.0079 0 - 6661 H2O 1549 H2O O1 4 -0.847600 15.9994 0 - 6662 H2O 1549 H2O H1 3 0.423800 1.0079 0 - 6663 H2O 1549 H2O H2 3 0.423800 1.0079 0 - 6664 H2O 1550 H2O O1 4 -0.847600 15.9994 0 - 6665 H2O 1550 H2O H1 3 0.423800 1.0079 0 - 6666 H2O 1550 H2O H2 3 0.423800 1.0079 0 - 6667 H2O 1551 H2O O1 4 -0.847600 15.9994 0 - 6668 H2O 1551 H2O H1 3 0.423800 1.0079 0 - 6669 H2O 1551 H2O H2 3 0.423800 1.0079 0 - 6670 H2O 1552 H2O O1 4 -0.847600 15.9994 0 - 6671 H2O 1552 H2O H1 3 0.423800 1.0079 0 - 6672 H2O 1552 H2O H2 3 0.423800 1.0079 0 - 6673 H2O 1553 H2O O1 4 -0.847600 15.9994 0 - 6674 H2O 1553 H2O H1 3 0.423800 1.0079 0 - 6675 H2O 1553 H2O H2 3 0.423800 1.0079 0 - 6676 H2O 1554 H2O O1 4 -0.847600 15.9994 0 - 6677 H2O 1554 H2O H1 3 0.423800 1.0079 0 - 6678 H2O 1554 H2O H2 3 0.423800 1.0079 0 - 6679 H2O 1555 H2O O1 4 -0.847600 15.9994 0 - 6680 H2O 1555 H2O H1 3 0.423800 1.0079 0 - 6681 H2O 1555 H2O H2 3 0.423800 1.0079 0 - 6682 H2O 1556 H2O O1 4 -0.847600 15.9994 0 - 6683 H2O 1556 H2O H1 3 0.423800 1.0079 0 - 6684 H2O 1556 H2O H2 3 0.423800 1.0079 0 - 6685 H2O 1557 H2O O1 4 -0.847600 15.9994 0 - 6686 H2O 1557 H2O H1 3 0.423800 1.0079 0 - 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0 - 6710 H2O 1565 H2O H1 3 0.423800 1.0079 0 - 6711 H2O 1565 H2O H2 3 0.423800 1.0079 0 - 6712 H2O 1566 H2O O1 4 -0.847600 15.9994 0 - 6713 H2O 1566 H2O H1 3 0.423800 1.0079 0 - 6714 H2O 1566 H2O H2 3 0.423800 1.0079 0 - 6715 H2O 1567 H2O O1 4 -0.847600 15.9994 0 - 6716 H2O 1567 H2O H1 3 0.423800 1.0079 0 - 6717 H2O 1567 H2O H2 3 0.423800 1.0079 0 - 6718 H2O 1568 H2O O1 4 -0.847600 15.9994 0 - 6719 H2O 1568 H2O H1 3 0.423800 1.0079 0 - 6720 H2O 1568 H2O H2 3 0.423800 1.0079 0 - 6721 H2O 1569 H2O O1 4 -0.847600 15.9994 0 - 6722 H2O 1569 H2O H1 3 0.423800 1.0079 0 - 6723 H2O 1569 H2O H2 3 0.423800 1.0079 0 - 6724 H2O 1570 H2O O1 4 -0.847600 15.9994 0 - 6725 H2O 1570 H2O H1 3 0.423800 1.0079 0 - 6726 H2O 1570 H2O H2 3 0.423800 1.0079 0 - 6727 H2O 1571 H2O O1 4 -0.847600 15.9994 0 - 6728 H2O 1571 H2O H1 3 0.423800 1.0079 0 - 6729 H2O 1571 H2O H2 3 0.423800 1.0079 0 - 6730 H2O 1572 H2O O1 4 -0.847600 15.9994 0 - 6731 H2O 1572 H2O H1 3 0.423800 1.0079 0 - 6732 H2O 1572 H2O H2 3 0.423800 1.0079 0 - 6733 H2O 1573 H2O O1 4 -0.847600 15.9994 0 - 6734 H2O 1573 H2O H1 3 0.423800 1.0079 0 - 6735 H2O 1573 H2O H2 3 0.423800 1.0079 0 - 6736 H2O 1574 H2O O1 4 -0.847600 15.9994 0 - 6737 H2O 1574 H2O H1 3 0.423800 1.0079 0 - 6738 H2O 1574 H2O H2 3 0.423800 1.0079 0 - 6739 H2O 1575 H2O O1 4 -0.847600 15.9994 0 - 6740 H2O 1575 H2O H1 3 0.423800 1.0079 0 - 6741 H2O 1575 H2O H2 3 0.423800 1.0079 0 - 6742 H2O 1576 H2O O1 4 -0.847600 15.9994 0 - 6743 H2O 1576 H2O H1 3 0.423800 1.0079 0 - 6744 H2O 1576 H2O H2 3 0.423800 1.0079 0 - 6745 H2O 1577 H2O O1 4 -0.847600 15.9994 0 - 6746 H2O 1577 H2O H1 3 0.423800 1.0079 0 - 6747 H2O 1577 H2O H2 3 0.423800 1.0079 0 - 6748 H2O 1578 H2O O1 4 -0.847600 15.9994 0 - 6749 H2O 1578 H2O H1 3 0.423800 1.0079 0 - 6750 H2O 1578 H2O H2 3 0.423800 1.0079 0 - 6751 H2O 1579 H2O O1 4 -0.847600 15.9994 0 - 6752 H2O 1579 H2O H1 3 0.423800 1.0079 0 - 6753 H2O 1579 H2O H2 3 0.423800 1.0079 0 - 6754 H2O 1580 H2O O1 4 -0.847600 15.9994 0 - 6755 H2O 1580 H2O H1 3 0.423800 1.0079 0 - 6756 H2O 1580 H2O H2 3 0.423800 1.0079 0 - 6757 H2O 1581 H2O O1 4 -0.847600 15.9994 0 - 6758 H2O 1581 H2O H1 3 0.423800 1.0079 0 - 6759 H2O 1581 H2O H2 3 0.423800 1.0079 0 - 6760 H2O 1582 H2O O1 4 -0.847600 15.9994 0 - 6761 H2O 1582 H2O H1 3 0.423800 1.0079 0 - 6762 H2O 1582 H2O H2 3 0.423800 1.0079 0 - 6763 H2O 1583 H2O O1 4 -0.847600 15.9994 0 - 6764 H2O 1583 H2O H1 3 0.423800 1.0079 0 - 6765 H2O 1583 H2O H2 3 0.423800 1.0079 0 - 6766 H2O 1584 H2O O1 4 -0.847600 15.9994 0 - 6767 H2O 1584 H2O H1 3 0.423800 1.0079 0 - 6768 H2O 1584 H2O H2 3 0.423800 1.0079 0 - 6769 H2O 1585 H2O O1 4 -0.847600 15.9994 0 - 6770 H2O 1585 H2O H1 3 0.423800 1.0079 0 - 6771 H2O 1585 H2O H2 3 0.423800 1.0079 0 - 6772 H2O 1586 H2O O1 4 -0.847600 15.9994 0 - 6773 H2O 1586 H2O H1 3 0.423800 1.0079 0 - 6774 H2O 1586 H2O H2 3 0.423800 1.0079 0 - 6775 H2O 1587 H2O O1 4 -0.847600 15.9994 0 - 6776 H2O 1587 H2O H1 3 0.423800 1.0079 0 - 6777 H2O 1587 H2O H2 3 0.423800 1.0079 0 - 6778 H2O 1588 H2O O1 4 -0.847600 15.9994 0 - 6779 H2O 1588 H2O H1 3 0.423800 1.0079 0 - 6780 H2O 1588 H2O H2 3 0.423800 1.0079 0 - 6781 H2O 1589 H2O O1 4 -0.847600 15.9994 0 - 6782 H2O 1589 H2O H1 3 0.423800 1.0079 0 - 6783 H2O 1589 H2O H2 3 0.423800 1.0079 0 - 6784 H2O 1590 H2O O1 4 -0.847600 15.9994 0 - 6785 H2O 1590 H2O H1 3 0.423800 1.0079 0 - 6786 H2O 1590 H2O H2 3 0.423800 1.0079 0 - 6787 H2O 1591 H2O O1 4 -0.847600 15.9994 0 - 6788 H2O 1591 H2O H1 3 0.423800 1.0079 0 - 6789 H2O 1591 H2O H2 3 0.423800 1.0079 0 - 6790 H2O 1592 H2O O1 4 -0.847600 15.9994 0 - 6791 H2O 1592 H2O H1 3 0.423800 1.0079 0 - 6792 H2O 1592 H2O H2 3 0.423800 1.0079 0 - 6793 H2O 1593 H2O O1 4 -0.847600 15.9994 0 - 6794 H2O 1593 H2O H1 3 0.423800 1.0079 0 - 6795 H2O 1593 H2O H2 3 0.423800 1.0079 0 - 6796 H2O 1594 H2O O1 4 -0.847600 15.9994 0 - 6797 H2O 1594 H2O H1 3 0.423800 1.0079 0 - 6798 H2O 1594 H2O H2 3 0.423800 1.0079 0 - 6799 H2O 1595 H2O O1 4 -0.847600 15.9994 0 - 6800 H2O 1595 H2O H1 3 0.423800 1.0079 0 - 6801 H2O 1595 H2O H2 3 0.423800 1.0079 0 - 6802 H2O 1596 H2O O1 4 -0.847600 15.9994 0 - 6803 H2O 1596 H2O H1 3 0.423800 1.0079 0 - 6804 H2O 1596 H2O H2 3 0.423800 1.0079 0 - 6805 H2O 1597 H2O O1 4 -0.847600 15.9994 0 - 6806 H2O 1597 H2O H1 3 0.423800 1.0079 0 - 6807 H2O 1597 H2O H2 3 0.423800 1.0079 0 - 6808 H2O 1598 H2O O1 4 -0.847600 15.9994 0 - 6809 H2O 1598 H2O H1 3 0.423800 1.0079 0 - 6810 H2O 1598 H2O H2 3 0.423800 1.0079 0 - 6811 H2O 1599 H2O O1 4 -0.847600 15.9994 0 - 6812 H2O 1599 H2O H1 3 0.423800 1.0079 0 - 6813 H2O 1599 H2O H2 3 0.423800 1.0079 0 - 6814 H2O 1600 H2O O1 4 -0.847600 15.9994 0 - 6815 H2O 1600 H2O H1 3 0.423800 1.0079 0 - 6816 H2O 1600 H2O H2 3 0.423800 1.0079 0 - 6817 H2O 1601 H2O O1 4 -0.847600 15.9994 0 - 6818 H2O 1601 H2O H1 3 0.423800 1.0079 0 - 6819 H2O 1601 H2O H2 3 0.423800 1.0079 0 - 6820 H2O 1602 H2O O1 4 -0.847600 15.9994 0 - 6821 H2O 1602 H2O H1 3 0.423800 1.0079 0 - 6822 H2O 1602 H2O H2 3 0.423800 1.0079 0 - 6823 H2O 1603 H2O O1 4 -0.847600 15.9994 0 - 6824 H2O 1603 H2O H1 3 0.423800 1.0079 0 - 6825 H2O 1603 H2O H2 3 0.423800 1.0079 0 - 6826 H2O 1604 H2O O1 4 -0.847600 15.9994 0 - 6827 H2O 1604 H2O H1 3 0.423800 1.0079 0 - 6828 H2O 1604 H2O H2 3 0.423800 1.0079 0 - 6829 H2O 1605 H2O O1 4 -0.847600 15.9994 0 - 6830 H2O 1605 H2O H1 3 0.423800 1.0079 0 - 6831 H2O 1605 H2O H2 3 0.423800 1.0079 0 - 6832 H2O 1606 H2O O1 4 -0.847600 15.9994 0 - 6833 H2O 1606 H2O H1 3 0.423800 1.0079 0 - 6834 H2O 1606 H2O H2 3 0.423800 1.0079 0 - 6835 H2O 1607 H2O O1 4 -0.847600 15.9994 0 - 6836 H2O 1607 H2O H1 3 0.423800 1.0079 0 - 6837 H2O 1607 H2O H2 3 0.423800 1.0079 0 - 6838 H2O 1608 H2O O1 4 -0.847600 15.9994 0 - 6839 H2O 1608 H2O H1 3 0.423800 1.0079 0 - 6840 H2O 1608 H2O H2 3 0.423800 1.0079 0 - 6841 H2O 1609 H2O O1 4 -0.847600 15.9994 0 - 6842 H2O 1609 H2O H1 3 0.423800 1.0079 0 - 6843 H2O 1609 H2O H2 3 0.423800 1.0079 0 - 6844 H2O 1610 H2O O1 4 -0.847600 15.9994 0 - 6845 H2O 1610 H2O H1 3 0.423800 1.0079 0 - 6846 H2O 1610 H2O H2 3 0.423800 1.0079 0 - 6847 H2O 1611 H2O O1 4 -0.847600 15.9994 0 - 6848 H2O 1611 H2O H1 3 0.423800 1.0079 0 - 6849 H2O 1611 H2O H2 3 0.423800 1.0079 0 - 6850 H2O 1612 H2O O1 4 -0.847600 15.9994 0 - 6851 H2O 1612 H2O H1 3 0.423800 1.0079 0 - 6852 H2O 1612 H2O H2 3 0.423800 1.0079 0 - 6853 H2O 1613 H2O O1 4 -0.847600 15.9994 0 - 6854 H2O 1613 H2O H1 3 0.423800 1.0079 0 - 6855 H2O 1613 H2O H2 3 0.423800 1.0079 0 - 6856 H2O 1614 H2O O1 4 -0.847600 15.9994 0 - 6857 H2O 1614 H2O H1 3 0.423800 1.0079 0 - 6858 H2O 1614 H2O H2 3 0.423800 1.0079 0 - 6859 H2O 1615 H2O O1 4 -0.847600 15.9994 0 - 6860 H2O 1615 H2O H1 3 0.423800 1.0079 0 - 6861 H2O 1615 H2O H2 3 0.423800 1.0079 0 - 6862 H2O 1616 H2O O1 4 -0.847600 15.9994 0 - 6863 H2O 1616 H2O H1 3 0.423800 1.0079 0 - 6864 H2O 1616 H2O H2 3 0.423800 1.0079 0 - 6865 H2O 1617 H2O O1 4 -0.847600 15.9994 0 - 6866 H2O 1617 H2O H1 3 0.423800 1.0079 0 - 6867 H2O 1617 H2O H2 3 0.423800 1.0079 0 - 6868 H2O 1618 H2O O1 4 -0.847600 15.9994 0 - 6869 H2O 1618 H2O H1 3 0.423800 1.0079 0 - 6870 H2O 1618 H2O H2 3 0.423800 1.0079 0 - 6871 H2O 1619 H2O O1 4 -0.847600 15.9994 0 - 6872 H2O 1619 H2O H1 3 0.423800 1.0079 0 - 6873 H2O 1619 H2O H2 3 0.423800 1.0079 0 - 6874 H2O 1620 H2O O1 4 -0.847600 15.9994 0 - 6875 H2O 1620 H2O H1 3 0.423800 1.0079 0 - 6876 H2O 1620 H2O H2 3 0.423800 1.0079 0 - 6877 H2O 1621 H2O O1 4 -0.847600 15.9994 0 - 6878 H2O 1621 H2O H1 3 0.423800 1.0079 0 - 6879 H2O 1621 H2O H2 3 0.423800 1.0079 0 - 6880 H2O 1622 H2O O1 4 -0.847600 15.9994 0 - 6881 H2O 1622 H2O H1 3 0.423800 1.0079 0 - 6882 H2O 1622 H2O H2 3 0.423800 1.0079 0 - 6883 H2O 1623 H2O O1 4 -0.847600 15.9994 0 - 6884 H2O 1623 H2O H1 3 0.423800 1.0079 0 - 6885 H2O 1623 H2O H2 3 0.423800 1.0079 0 - 6886 H2O 1624 H2O O1 4 -0.847600 15.9994 0 - 6887 H2O 1624 H2O H1 3 0.423800 1.0079 0 - 6888 H2O 1624 H2O H2 3 0.423800 1.0079 0 - 6889 H2O 1625 H2O O1 4 -0.847600 15.9994 0 - 6890 H2O 1625 H2O H1 3 0.423800 1.0079 0 - 6891 H2O 1625 H2O H2 3 0.423800 1.0079 0 - 6892 H2O 1626 H2O O1 4 -0.847600 15.9994 0 - 6893 H2O 1626 H2O H1 3 0.423800 1.0079 0 - 6894 H2O 1626 H2O H2 3 0.423800 1.0079 0 - 6895 H2O 1627 H2O O1 4 -0.847600 15.9994 0 - 6896 H2O 1627 H2O H1 3 0.423800 1.0079 0 - 6897 H2O 1627 H2O H2 3 0.423800 1.0079 0 - 6898 H2O 1628 H2O O1 4 -0.847600 15.9994 0 - 6899 H2O 1628 H2O H1 3 0.423800 1.0079 0 - 6900 H2O 1628 H2O H2 3 0.423800 1.0079 0 - 6901 H2O 1629 H2O O1 4 -0.847600 15.9994 0 - 6902 H2O 1629 H2O H1 3 0.423800 1.0079 0 - 6903 H2O 1629 H2O H2 3 0.423800 1.0079 0 - 6904 H2O 1630 H2O O1 4 -0.847600 15.9994 0 - 6905 H2O 1630 H2O H1 3 0.423800 1.0079 0 - 6906 H2O 1630 H2O H2 3 0.423800 1.0079 0 - 6907 H2O 1631 H2O O1 4 -0.847600 15.9994 0 - 6908 H2O 1631 H2O H1 3 0.423800 1.0079 0 - 6909 H2O 1631 H2O H2 3 0.423800 1.0079 0 - 6910 H2O 1632 H2O O1 4 -0.847600 15.9994 0 - 6911 H2O 1632 H2O H1 3 0.423800 1.0079 0 - 6912 H2O 1632 H2O H2 3 0.423800 1.0079 0 - 6913 H2O 1633 H2O O1 4 -0.847600 15.9994 0 - 6914 H2O 1633 H2O H1 3 0.423800 1.0079 0 - 6915 H2O 1633 H2O H2 3 0.423800 1.0079 0 - 6916 H2O 1634 H2O O1 4 -0.847600 15.9994 0 - 6917 H2O 1634 H2O H1 3 0.423800 1.0079 0 - 6918 H2O 1634 H2O H2 3 0.423800 1.0079 0 - 6919 H2O 1635 H2O O1 4 -0.847600 15.9994 0 - 6920 H2O 1635 H2O H1 3 0.423800 1.0079 0 - 6921 H2O 1635 H2O H2 3 0.423800 1.0079 0 - 6922 H2O 1636 H2O O1 4 -0.847600 15.9994 0 - 6923 H2O 1636 H2O H1 3 0.423800 1.0079 0 - 6924 H2O 1636 H2O H2 3 0.423800 1.0079 0 - 6925 H2O 1637 H2O O1 4 -0.847600 15.9994 0 - 6926 H2O 1637 H2O H1 3 0.423800 1.0079 0 - 6927 H2O 1637 H2O H2 3 0.423800 1.0079 0 - 6928 H2O 1638 H2O O1 4 -0.847600 15.9994 0 - 6929 H2O 1638 H2O H1 3 0.423800 1.0079 0 - 6930 H2O 1638 H2O H2 3 0.423800 1.0079 0 - 6931 H2O 1639 H2O O1 4 -0.847600 15.9994 0 - 6932 H2O 1639 H2O H1 3 0.423800 1.0079 0 - 6933 H2O 1639 H2O H2 3 0.423800 1.0079 0 - 6934 H2O 1640 H2O O1 4 -0.847600 15.9994 0 - 6935 H2O 1640 H2O H1 3 0.423800 1.0079 0 - 6936 H2O 1640 H2O H2 3 0.423800 1.0079 0 - 6937 H2O 1641 H2O O1 4 -0.847600 15.9994 0 - 6938 H2O 1641 H2O H1 3 0.423800 1.0079 0 - 6939 H2O 1641 H2O H2 3 0.423800 1.0079 0 - 6940 H2O 1642 H2O O1 4 -0.847600 15.9994 0 - 6941 H2O 1642 H2O H1 3 0.423800 1.0079 0 - 6942 H2O 1642 H2O H2 3 0.423800 1.0079 0 - 6943 H2O 1643 H2O O1 4 -0.847600 15.9994 0 - 6944 H2O 1643 H2O H1 3 0.423800 1.0079 0 - 6945 H2O 1643 H2O H2 3 0.423800 1.0079 0 - 6946 H2O 1644 H2O O1 4 -0.847600 15.9994 0 - 6947 H2O 1644 H2O H1 3 0.423800 1.0079 0 - 6948 H2O 1644 H2O H2 3 0.423800 1.0079 0 - 6949 H2O 1645 H2O O1 4 -0.847600 15.9994 0 - 6950 H2O 1645 H2O H1 3 0.423800 1.0079 0 - 6951 H2O 1645 H2O H2 3 0.423800 1.0079 0 - 6952 H2O 1646 H2O O1 4 -0.847600 15.9994 0 - 6953 H2O 1646 H2O H1 3 0.423800 1.0079 0 - 6954 H2O 1646 H2O H2 3 0.423800 1.0079 0 - 6955 H2O 1647 H2O O1 4 -0.847600 15.9994 0 - 6956 H2O 1647 H2O H1 3 0.423800 1.0079 0 - 6957 H2O 1647 H2O H2 3 0.423800 1.0079 0 - 6958 H2O 1648 H2O O1 4 -0.847600 15.9994 0 - 6959 H2O 1648 H2O H1 3 0.423800 1.0079 0 - 6960 H2O 1648 H2O H2 3 0.423800 1.0079 0 - 6961 H2O 1649 H2O O1 4 -0.847600 15.9994 0 - 6962 H2O 1649 H2O H1 3 0.423800 1.0079 0 - 6963 H2O 1649 H2O H2 3 0.423800 1.0079 0 - 6964 H2O 1650 H2O O1 4 -0.847600 15.9994 0 - 6965 H2O 1650 H2O H1 3 0.423800 1.0079 0 - 6966 H2O 1650 H2O H2 3 0.423800 1.0079 0 - 6967 H2O 1651 H2O O1 4 -0.847600 15.9994 0 - 6968 H2O 1651 H2O H1 3 0.423800 1.0079 0 - 6969 H2O 1651 H2O H2 3 0.423800 1.0079 0 - 6970 H2O 1652 H2O O1 4 -0.847600 15.9994 0 - 6971 H2O 1652 H2O H1 3 0.423800 1.0079 0 - 6972 H2O 1652 H2O H2 3 0.423800 1.0079 0 - 6973 H2O 1653 H2O O1 4 -0.847600 15.9994 0 - 6974 H2O 1653 H2O H1 3 0.423800 1.0079 0 - 6975 H2O 1653 H2O H2 3 0.423800 1.0079 0 - 6976 H2O 1654 H2O O1 4 -0.847600 15.9994 0 - 6977 H2O 1654 H2O H1 3 0.423800 1.0079 0 - 6978 H2O 1654 H2O H2 3 0.423800 1.0079 0 - 6979 H2O 1655 H2O O1 4 -0.847600 15.9994 0 - 6980 H2O 1655 H2O H1 3 0.423800 1.0079 0 - 6981 H2O 1655 H2O H2 3 0.423800 1.0079 0 - 6982 H2O 1656 H2O O1 4 -0.847600 15.9994 0 - 6983 H2O 1656 H2O H1 3 0.423800 1.0079 0 - 6984 H2O 1656 H2O H2 3 0.423800 1.0079 0 - 6985 H2O 1657 H2O O1 4 -0.847600 15.9994 0 - 6986 H2O 1657 H2O H1 3 0.423800 1.0079 0 - 6987 H2O 1657 H2O H2 3 0.423800 1.0079 0 - 6988 H2O 1658 H2O O1 4 -0.847600 15.9994 0 - 6989 H2O 1658 H2O H1 3 0.423800 1.0079 0 - 6990 H2O 1658 H2O H2 3 0.423800 1.0079 0 - 6991 H2O 1659 H2O O1 4 -0.847600 15.9994 0 - 6992 H2O 1659 H2O H1 3 0.423800 1.0079 0 - 6993 H2O 1659 H2O H2 3 0.423800 1.0079 0 - 6994 H2O 1660 H2O O1 4 -0.847600 15.9994 0 - 6995 H2O 1660 H2O H1 3 0.423800 1.0079 0 - 6996 H2O 1660 H2O H2 3 0.423800 1.0079 0 - 6997 H2O 1661 H2O O1 4 -0.847600 15.9994 0 - 6998 H2O 1661 H2O H1 3 0.423800 1.0079 0 - 6999 H2O 1661 H2O H2 3 0.423800 1.0079 0 - 7000 H2O 1662 H2O O1 4 -0.847600 15.9994 0 - 7001 H2O 1662 H2O H1 3 0.423800 1.0079 0 - 7002 H2O 1662 H2O H2 3 0.423800 1.0079 0 - 7003 H2O 1663 H2O O1 4 -0.847600 15.9994 0 - 7004 H2O 1663 H2O H1 3 0.423800 1.0079 0 - 7005 H2O 1663 H2O H2 3 0.423800 1.0079 0 - 7006 H2O 1664 H2O O1 4 -0.847600 15.9994 0 - 7007 H2O 1664 H2O H1 3 0.423800 1.0079 0 - 7008 H2O 1664 H2O H2 3 0.423800 1.0079 0 - 7009 H2O 1665 H2O O1 4 -0.847600 15.9994 0 - 7010 H2O 1665 H2O H1 3 0.423800 1.0079 0 - 7011 H2O 1665 H2O H2 3 0.423800 1.0079 0 - 7012 H2O 1666 H2O O1 4 -0.847600 15.9994 0 - 7013 H2O 1666 H2O H1 3 0.423800 1.0079 0 - 7014 H2O 1666 H2O H2 3 0.423800 1.0079 0 - 7015 H2O 1667 H2O O1 4 -0.847600 15.9994 0 - 7016 H2O 1667 H2O H1 3 0.423800 1.0079 0 - 7017 H2O 1667 H2O H2 3 0.423800 1.0079 0 - 7018 H2O 1668 H2O O1 4 -0.847600 15.9994 0 - 7019 H2O 1668 H2O H1 3 0.423800 1.0079 0 - 7020 H2O 1668 H2O H2 3 0.423800 1.0079 0 - 7021 H2O 1669 H2O O1 4 -0.847600 15.9994 0 - 7022 H2O 1669 H2O H1 3 0.423800 1.0079 0 - 7023 H2O 1669 H2O H2 3 0.423800 1.0079 0 - 7024 H2O 1670 H2O O1 4 -0.847600 15.9994 0 - 7025 H2O 1670 H2O H1 3 0.423800 1.0079 0 - 7026 H2O 1670 H2O H2 3 0.423800 1.0079 0 - 7027 H2O 1671 H2O O1 4 -0.847600 15.9994 0 - 7028 H2O 1671 H2O H1 3 0.423800 1.0079 0 - 7029 H2O 1671 H2O H2 3 0.423800 1.0079 0 - 7030 H2O 1672 H2O O1 4 -0.847600 15.9994 0 - 7031 H2O 1672 H2O H1 3 0.423800 1.0079 0 - 7032 H2O 1672 H2O H2 3 0.423800 1.0079 0 - 7033 H2O 1673 H2O O1 4 -0.847600 15.9994 0 - 7034 H2O 1673 H2O H1 3 0.423800 1.0079 0 - 7035 H2O 1673 H2O H2 3 0.423800 1.0079 0 - 7036 H2O 1674 H2O O1 4 -0.847600 15.9994 0 - 7037 H2O 1674 H2O H1 3 0.423800 1.0079 0 - 7038 H2O 1674 H2O H2 3 0.423800 1.0079 0 - 7039 H2O 1675 H2O O1 4 -0.847600 15.9994 0 - 7040 H2O 1675 H2O H1 3 0.423800 1.0079 0 - 7041 H2O 1675 H2O H2 3 0.423800 1.0079 0 - 7042 H2O 1676 H2O O1 4 -0.847600 15.9994 0 - 7043 H2O 1676 H2O H1 3 0.423800 1.0079 0 - 7044 H2O 1676 H2O H2 3 0.423800 1.0079 0 - 7045 H2O 1677 H2O O1 4 -0.847600 15.9994 0 - 7046 H2O 1677 H2O H1 3 0.423800 1.0079 0 - 7047 H2O 1677 H2O H2 3 0.423800 1.0079 0 - 7048 H2O 1678 H2O O1 4 -0.847600 15.9994 0 - 7049 H2O 1678 H2O H1 3 0.423800 1.0079 0 - 7050 H2O 1678 H2O H2 3 0.423800 1.0079 0 - 7051 H2O 1679 H2O O1 4 -0.847600 15.9994 0 - 7052 H2O 1679 H2O H1 3 0.423800 1.0079 0 - 7053 H2O 1679 H2O H2 3 0.423800 1.0079 0 - 7054 H2O 1680 H2O O1 4 -0.847600 15.9994 0 - 7055 H2O 1680 H2O H1 3 0.423800 1.0079 0 - 7056 H2O 1680 H2O H2 3 0.423800 1.0079 0 - 7057 H2O 1681 H2O O1 4 -0.847600 15.9994 0 - 7058 H2O 1681 H2O H1 3 0.423800 1.0079 0 - 7059 H2O 1681 H2O H2 3 0.423800 1.0079 0 - 7060 H2O 1682 H2O O1 4 -0.847600 15.9994 0 - 7061 H2O 1682 H2O H1 3 0.423800 1.0079 0 - 7062 H2O 1682 H2O H2 3 0.423800 1.0079 0 - 7063 H2O 1683 H2O O1 4 -0.847600 15.9994 0 - 7064 H2O 1683 H2O H1 3 0.423800 1.0079 0 - 7065 H2O 1683 H2O H2 3 0.423800 1.0079 0 - 7066 H2O 1684 H2O O1 4 -0.847600 15.9994 0 - 7067 H2O 1684 H2O H1 3 0.423800 1.0079 0 - 7068 H2O 1684 H2O H2 3 0.423800 1.0079 0 - 7069 H2O 1685 H2O O1 4 -0.847600 15.9994 0 - 7070 H2O 1685 H2O H1 3 0.423800 1.0079 0 - 7071 H2O 1685 H2O H2 3 0.423800 1.0079 0 - 7072 H2O 1686 H2O O1 4 -0.847600 15.9994 0 - 7073 H2O 1686 H2O H1 3 0.423800 1.0079 0 - 7074 H2O 1686 H2O H2 3 0.423800 1.0079 0 - 7075 H2O 1687 H2O O1 4 -0.847600 15.9994 0 - 7076 H2O 1687 H2O H1 3 0.423800 1.0079 0 - 7077 H2O 1687 H2O H2 3 0.423800 1.0079 0 - 7078 H2O 1688 H2O O1 4 -0.847600 15.9994 0 - 7079 H2O 1688 H2O H1 3 0.423800 1.0079 0 - 7080 H2O 1688 H2O H2 3 0.423800 1.0079 0 - 7081 H2O 1689 H2O O1 4 -0.847600 15.9994 0 - 7082 H2O 1689 H2O H1 3 0.423800 1.0079 0 - 7083 H2O 1689 H2O H2 3 0.423800 1.0079 0 - 7084 H2O 1690 H2O O1 4 -0.847600 15.9994 0 - 7085 H2O 1690 H2O H1 3 0.423800 1.0079 0 - 7086 H2O 1690 H2O H2 3 0.423800 1.0079 0 - 7087 H2O 1691 H2O O1 4 -0.847600 15.9994 0 - 7088 H2O 1691 H2O H1 3 0.423800 1.0079 0 - 7089 H2O 1691 H2O H2 3 0.423800 1.0079 0 - 7090 H2O 1692 H2O O1 4 -0.847600 15.9994 0 - 7091 H2O 1692 H2O H1 3 0.423800 1.0079 0 - 7092 H2O 1692 H2O H2 3 0.423800 1.0079 0 - 7093 H2O 1693 H2O O1 4 -0.847600 15.9994 0 - 7094 H2O 1693 H2O H1 3 0.423800 1.0079 0 - 7095 H2O 1693 H2O H2 3 0.423800 1.0079 0 - 7096 H2O 1694 H2O O1 4 -0.847600 15.9994 0 - 7097 H2O 1694 H2O H1 3 0.423800 1.0079 0 - 7098 H2O 1694 H2O H2 3 0.423800 1.0079 0 - 7099 H2O 1695 H2O O1 4 -0.847600 15.9994 0 - 7100 H2O 1695 H2O H1 3 0.423800 1.0079 0 - 7101 H2O 1695 H2O H2 3 0.423800 1.0079 0 - 7102 H2O 1696 H2O O1 4 -0.847600 15.9994 0 - 7103 H2O 1696 H2O H1 3 0.423800 1.0079 0 - 7104 H2O 1696 H2O H2 3 0.423800 1.0079 0 - 7105 H2O 1697 H2O O1 4 -0.847600 15.9994 0 - 7106 H2O 1697 H2O H1 3 0.423800 1.0079 0 - 7107 H2O 1697 H2O H2 3 0.423800 1.0079 0 - 7108 H2O 1698 H2O O1 4 -0.847600 15.9994 0 - 7109 H2O 1698 H2O H1 3 0.423800 1.0079 0 - 7110 H2O 1698 H2O H2 3 0.423800 1.0079 0 - 7111 H2O 1699 H2O O1 4 -0.847600 15.9994 0 - 7112 H2O 1699 H2O H1 3 0.423800 1.0079 0 - 7113 H2O 1699 H2O H2 3 0.423800 1.0079 0 - 7114 H2O 1700 H2O O1 4 -0.847600 15.9994 0 - 7115 H2O 1700 H2O H1 3 0.423800 1.0079 0 - 7116 H2O 1700 H2O H2 3 0.423800 1.0079 0 - 7117 H2O 1701 H2O O1 4 -0.847600 15.9994 0 - 7118 H2O 1701 H2O H1 3 0.423800 1.0079 0 - 7119 H2O 1701 H2O H2 3 0.423800 1.0079 0 - 7120 H2O 1702 H2O O1 4 -0.847600 15.9994 0 - 7121 H2O 1702 H2O H1 3 0.423800 1.0079 0 - 7122 H2O 1702 H2O H2 3 0.423800 1.0079 0 - 7123 H2O 1703 H2O O1 4 -0.847600 15.9994 0 - 7124 H2O 1703 H2O H1 3 0.423800 1.0079 0 - 7125 H2O 1703 H2O H2 3 0.423800 1.0079 0 - 7126 H2O 1704 H2O O1 4 -0.847600 15.9994 0 - 7127 H2O 1704 H2O H1 3 0.423800 1.0079 0 - 7128 H2O 1704 H2O H2 3 0.423800 1.0079 0 - 7129 H2O 1705 H2O O1 4 -0.847600 15.9994 0 - 7130 H2O 1705 H2O H1 3 0.423800 1.0079 0 - 7131 H2O 1705 H2O H2 3 0.423800 1.0079 0 - 7132 H2O 1706 H2O O1 4 -0.847600 15.9994 0 - 7133 H2O 1706 H2O H1 3 0.423800 1.0079 0 - 7134 H2O 1706 H2O H2 3 0.423800 1.0079 0 - 7135 H2O 1707 H2O O1 4 -0.847600 15.9994 0 - 7136 H2O 1707 H2O H1 3 0.423800 1.0079 0 - 7137 H2O 1707 H2O H2 3 0.423800 1.0079 0 - 7138 H2O 1708 H2O O1 4 -0.847600 15.9994 0 - 7139 H2O 1708 H2O H1 3 0.423800 1.0079 0 - 7140 H2O 1708 H2O H2 3 0.423800 1.0079 0 - 7141 H2O 1709 H2O O1 4 -0.847600 15.9994 0 - 7142 H2O 1709 H2O H1 3 0.423800 1.0079 0 - 7143 H2O 1709 H2O H2 3 0.423800 1.0079 0 - 7144 H2O 1710 H2O O1 4 -0.847600 15.9994 0 - 7145 H2O 1710 H2O H1 3 0.423800 1.0079 0 - 7146 H2O 1710 H2O H2 3 0.423800 1.0079 0 - 7147 H2O 1711 H2O O1 4 -0.847600 15.9994 0 - 7148 H2O 1711 H2O H1 3 0.423800 1.0079 0 - 7149 H2O 1711 H2O H2 3 0.423800 1.0079 0 - 7150 H2O 1712 H2O O1 4 -0.847600 15.9994 0 - 7151 H2O 1712 H2O H1 3 0.423800 1.0079 0 - 7152 H2O 1712 H2O H2 3 0.423800 1.0079 0 - 7153 H2O 1713 H2O O1 4 -0.847600 15.9994 0 - 7154 H2O 1713 H2O H1 3 0.423800 1.0079 0 - 7155 H2O 1713 H2O H2 3 0.423800 1.0079 0 - 7156 H2O 1714 H2O O1 4 -0.847600 15.9994 0 - 7157 H2O 1714 H2O H1 3 0.423800 1.0079 0 - 7158 H2O 1714 H2O H2 3 0.423800 1.0079 0 - 7159 H2O 1715 H2O O1 4 -0.847600 15.9994 0 - 7160 H2O 1715 H2O H1 3 0.423800 1.0079 0 - 7161 H2O 1715 H2O H2 3 0.423800 1.0079 0 - 7162 H2O 1716 H2O O1 4 -0.847600 15.9994 0 - 7163 H2O 1716 H2O H1 3 0.423800 1.0079 0 - 7164 H2O 1716 H2O H2 3 0.423800 1.0079 0 - 7165 H2O 1717 H2O O1 4 -0.847600 15.9994 0 - 7166 H2O 1717 H2O H1 3 0.423800 1.0079 0 - 7167 H2O 1717 H2O H2 3 0.423800 1.0079 0 - 7168 H2O 1718 H2O O1 4 -0.847600 15.9994 0 - 7169 H2O 1718 H2O H1 3 0.423800 1.0079 0 - 7170 H2O 1718 H2O H2 3 0.423800 1.0079 0 - 7171 H2O 1719 H2O O1 4 -0.847600 15.9994 0 - 7172 H2O 1719 H2O H1 3 0.423800 1.0079 0 - 7173 H2O 1719 H2O H2 3 0.423800 1.0079 0 - 7174 H2O 1720 H2O O1 4 -0.847600 15.9994 0 - 7175 H2O 1720 H2O H1 3 0.423800 1.0079 0 - 7176 H2O 1720 H2O H2 3 0.423800 1.0079 0 - 7177 H2O 1721 H2O O1 4 -0.847600 15.9994 0 - 7178 H2O 1721 H2O H1 3 0.423800 1.0079 0 - 7179 H2O 1721 H2O H2 3 0.423800 1.0079 0 - 7180 H2O 1722 H2O O1 4 -0.847600 15.9994 0 - 7181 H2O 1722 H2O H1 3 0.423800 1.0079 0 - 7182 H2O 1722 H2O H2 3 0.423800 1.0079 0 - 7183 H2O 1723 H2O O1 4 -0.847600 15.9994 0 - 7184 H2O 1723 H2O H1 3 0.423800 1.0079 0 - 7185 H2O 1723 H2O H2 3 0.423800 1.0079 0 - 7186 H2O 1724 H2O O1 4 -0.847600 15.9994 0 - 7187 H2O 1724 H2O H1 3 0.423800 1.0079 0 - 7188 H2O 1724 H2O H2 3 0.423800 1.0079 0 - 7189 H2O 1725 H2O O1 4 -0.847600 15.9994 0 - 7190 H2O 1725 H2O H1 3 0.423800 1.0079 0 - 7191 H2O 1725 H2O H2 3 0.423800 1.0079 0 - 7192 H2O 1726 H2O O1 4 -0.847600 15.9994 0 - 7193 H2O 1726 H2O H1 3 0.423800 1.0079 0 - 7194 H2O 1726 H2O H2 3 0.423800 1.0079 0 - 7195 H2O 1727 H2O O1 4 -0.847600 15.9994 0 - 7196 H2O 1727 H2O H1 3 0.423800 1.0079 0 - 7197 H2O 1727 H2O H2 3 0.423800 1.0079 0 - 7198 H2O 1728 H2O O1 4 -0.847600 15.9994 0 - 7199 H2O 1728 H2O H1 3 0.423800 1.0079 0 - 7200 H2O 1728 H2O H2 3 0.423800 1.0079 0 - 7201 H2O 1729 H2O O1 4 -0.847600 15.9994 0 - 7202 H2O 1729 H2O H1 3 0.423800 1.0079 0 - 7203 H2O 1729 H2O H2 3 0.423800 1.0079 0 - 7204 H2O 1730 H2O O1 4 -0.847600 15.9994 0 - 7205 H2O 1730 H2O H1 3 0.423800 1.0079 0 - 7206 H2O 1730 H2O H2 3 0.423800 1.0079 0 - 7207 H2O 1731 H2O O1 4 -0.847600 15.9994 0 - 7208 H2O 1731 H2O H1 3 0.423800 1.0079 0 - 7209 H2O 1731 H2O H2 3 0.423800 1.0079 0 - 7210 H2O 1732 H2O O1 4 -0.847600 15.9994 0 - 7211 H2O 1732 H2O H1 3 0.423800 1.0079 0 - 7212 H2O 1732 H2O H2 3 0.423800 1.0079 0 - 7213 H2O 1733 H2O O1 4 -0.847600 15.9994 0 - 7214 H2O 1733 H2O H1 3 0.423800 1.0079 0 - 7215 H2O 1733 H2O H2 3 0.423800 1.0079 0 - 7216 H2O 1734 H2O O1 4 -0.847600 15.9994 0 - 7217 H2O 1734 H2O H1 3 0.423800 1.0079 0 - 7218 H2O 1734 H2O H2 3 0.423800 1.0079 0 - 7219 H2O 1735 H2O O1 4 -0.847600 15.9994 0 - 7220 H2O 1735 H2O H1 3 0.423800 1.0079 0 - 7221 H2O 1735 H2O H2 3 0.423800 1.0079 0 - 7222 H2O 1736 H2O O1 4 -0.847600 15.9994 0 - 7223 H2O 1736 H2O H1 3 0.423800 1.0079 0 - 7224 H2O 1736 H2O H2 3 0.423800 1.0079 0 - 7225 H2O 1737 H2O O1 4 -0.847600 15.9994 0 - 7226 H2O 1737 H2O H1 3 0.423800 1.0079 0 - 7227 H2O 1737 H2O H2 3 0.423800 1.0079 0 - 7228 H2O 1738 H2O O1 4 -0.847600 15.9994 0 - 7229 H2O 1738 H2O H1 3 0.423800 1.0079 0 - 7230 H2O 1738 H2O H2 3 0.423800 1.0079 0 - 7231 H2O 1739 H2O O1 4 -0.847600 15.9994 0 - 7232 H2O 1739 H2O H1 3 0.423800 1.0079 0 - 7233 H2O 1739 H2O H2 3 0.423800 1.0079 0 - 7234 H2O 1740 H2O O1 4 -0.847600 15.9994 0 - 7235 H2O 1740 H2O H1 3 0.423800 1.0079 0 - 7236 H2O 1740 H2O H2 3 0.423800 1.0079 0 - 7237 H2O 1741 H2O O1 4 -0.847600 15.9994 0 - 7238 H2O 1741 H2O H1 3 0.423800 1.0079 0 - 7239 H2O 1741 H2O H2 3 0.423800 1.0079 0 - 7240 H2O 1742 H2O O1 4 -0.847600 15.9994 0 - 7241 H2O 1742 H2O H1 3 0.423800 1.0079 0 - 7242 H2O 1742 H2O H2 3 0.423800 1.0079 0 - 7243 H2O 1743 H2O O1 4 -0.847600 15.9994 0 - 7244 H2O 1743 H2O H1 3 0.423800 1.0079 0 - 7245 H2O 1743 H2O H2 3 0.423800 1.0079 0 - 7246 H2O 1744 H2O O1 4 -0.847600 15.9994 0 - 7247 H2O 1744 H2O H1 3 0.423800 1.0079 0 - 7248 H2O 1744 H2O H2 3 0.423800 1.0079 0 - 7249 H2O 1745 H2O O1 4 -0.847600 15.9994 0 - 7250 H2O 1745 H2O H1 3 0.423800 1.0079 0 - 7251 H2O 1745 H2O H2 3 0.423800 1.0079 0 - 7252 H2O 1746 H2O O1 4 -0.847600 15.9994 0 - 7253 H2O 1746 H2O H1 3 0.423800 1.0079 0 - 7254 H2O 1746 H2O H2 3 0.423800 1.0079 0 - 7255 H2O 1747 H2O O1 4 -0.847600 15.9994 0 - 7256 H2O 1747 H2O H1 3 0.423800 1.0079 0 - 7257 H2O 1747 H2O H2 3 0.423800 1.0079 0 - 7258 H2O 1748 H2O O1 4 -0.847600 15.9994 0 - 7259 H2O 1748 H2O H1 3 0.423800 1.0079 0 - 7260 H2O 1748 H2O H2 3 0.423800 1.0079 0 - 7261 H2O 1749 H2O O1 4 -0.847600 15.9994 0 - 7262 H2O 1749 H2O H1 3 0.423800 1.0079 0 - 7263 H2O 1749 H2O H2 3 0.423800 1.0079 0 - 7264 H2O 1750 H2O O1 4 -0.847600 15.9994 0 - 7265 H2O 1750 H2O H1 3 0.423800 1.0079 0 - 7266 H2O 1750 H2O H2 3 0.423800 1.0079 0 - 7267 H2O 1751 H2O O1 4 -0.847600 15.9994 0 - 7268 H2O 1751 H2O H1 3 0.423800 1.0079 0 - 7269 H2O 1751 H2O H2 3 0.423800 1.0079 0 - 7270 H2O 1752 H2O O1 4 -0.847600 15.9994 0 - 7271 H2O 1752 H2O H1 3 0.423800 1.0079 0 - 7272 H2O 1752 H2O H2 3 0.423800 1.0079 0 - 7273 H2O 1753 H2O O1 4 -0.847600 15.9994 0 - 7274 H2O 1753 H2O H1 3 0.423800 1.0079 0 - 7275 H2O 1753 H2O H2 3 0.423800 1.0079 0 - 7276 H2O 1754 H2O O1 4 -0.847600 15.9994 0 - 7277 H2O 1754 H2O H1 3 0.423800 1.0079 0 - 7278 H2O 1754 H2O H2 3 0.423800 1.0079 0 - 7279 H2O 1755 H2O O1 4 -0.847600 15.9994 0 - 7280 H2O 1755 H2O H1 3 0.423800 1.0079 0 - 7281 H2O 1755 H2O H2 3 0.423800 1.0079 0 - 7282 H2O 1756 H2O O1 4 -0.847600 15.9994 0 - 7283 H2O 1756 H2O H1 3 0.423800 1.0079 0 - 7284 H2O 1756 H2O H2 3 0.423800 1.0079 0 - 7285 H2O 1757 H2O O1 4 -0.847600 15.9994 0 - 7286 H2O 1757 H2O H1 3 0.423800 1.0079 0 - 7287 H2O 1757 H2O H2 3 0.423800 1.0079 0 - 7288 H2O 1758 H2O O1 4 -0.847600 15.9994 0 - 7289 H2O 1758 H2O H1 3 0.423800 1.0079 0 - 7290 H2O 1758 H2O H2 3 0.423800 1.0079 0 - 7291 H2O 1759 H2O O1 4 -0.847600 15.9994 0 - 7292 H2O 1759 H2O H1 3 0.423800 1.0079 0 - 7293 H2O 1759 H2O H2 3 0.423800 1.0079 0 - 7294 H2O 1760 H2O O1 4 -0.847600 15.9994 0 - 7295 H2O 1760 H2O H1 3 0.423800 1.0079 0 - 7296 H2O 1760 H2O H2 3 0.423800 1.0079 0 - 7297 H2O 1761 H2O O1 4 -0.847600 15.9994 0 - 7298 H2O 1761 H2O H1 3 0.423800 1.0079 0 - 7299 H2O 1761 H2O H2 3 0.423800 1.0079 0 - 7300 H2O 1762 H2O O1 4 -0.847600 15.9994 0 - 7301 H2O 1762 H2O H1 3 0.423800 1.0079 0 - 7302 H2O 1762 H2O H2 3 0.423800 1.0079 0 - 7303 H2O 1763 H2O O1 4 -0.847600 15.9994 0 - 7304 H2O 1763 H2O H1 3 0.423800 1.0079 0 - 7305 H2O 1763 H2O H2 3 0.423800 1.0079 0 - 7306 H2O 1764 H2O O1 4 -0.847600 15.9994 0 - 7307 H2O 1764 H2O H1 3 0.423800 1.0079 0 - 7308 H2O 1764 H2O H2 3 0.423800 1.0079 0 - 7309 H2O 1765 H2O O1 4 -0.847600 15.9994 0 - 7310 H2O 1765 H2O H1 3 0.423800 1.0079 0 - 7311 H2O 1765 H2O H2 3 0.423800 1.0079 0 - 7312 H2O 1766 H2O O1 4 -0.847600 15.9994 0 - 7313 H2O 1766 H2O H1 3 0.423800 1.0079 0 - 7314 H2O 1766 H2O H2 3 0.423800 1.0079 0 - 7315 H2O 1767 H2O O1 4 -0.847600 15.9994 0 - 7316 H2O 1767 H2O H1 3 0.423800 1.0079 0 - 7317 H2O 1767 H2O H2 3 0.423800 1.0079 0 - 7318 H2O 1768 H2O O1 4 -0.847600 15.9994 0 - 7319 H2O 1768 H2O H1 3 0.423800 1.0079 0 - 7320 H2O 1768 H2O H2 3 0.423800 1.0079 0 - 7321 H2O 1769 H2O O1 4 -0.847600 15.9994 0 - 7322 H2O 1769 H2O H1 3 0.423800 1.0079 0 - 7323 H2O 1769 H2O H2 3 0.423800 1.0079 0 - 7324 H2O 1770 H2O O1 4 -0.847600 15.9994 0 - 7325 H2O 1770 H2O H1 3 0.423800 1.0079 0 - 7326 H2O 1770 H2O H2 3 0.423800 1.0079 0 - 7327 H2O 1771 H2O O1 4 -0.847600 15.9994 0 - 7328 H2O 1771 H2O H1 3 0.423800 1.0079 0 - 7329 H2O 1771 H2O H2 3 0.423800 1.0079 0 - 7330 H2O 1772 H2O O1 4 -0.847600 15.9994 0 - 7331 H2O 1772 H2O H1 3 0.423800 1.0079 0 - 7332 H2O 1772 H2O H2 3 0.423800 1.0079 0 - 7333 H2O 1773 H2O O1 4 -0.847600 15.9994 0 - 7334 H2O 1773 H2O H1 3 0.423800 1.0079 0 - 7335 H2O 1773 H2O H2 3 0.423800 1.0079 0 - 7336 H2O 1774 H2O O1 4 -0.847600 15.9994 0 - 7337 H2O 1774 H2O H1 3 0.423800 1.0079 0 - 7338 H2O 1774 H2O H2 3 0.423800 1.0079 0 - 7339 H2O 1775 H2O O1 4 -0.847600 15.9994 0 - 7340 H2O 1775 H2O H1 3 0.423800 1.0079 0 - 7341 H2O 1775 H2O H2 3 0.423800 1.0079 0 - 7342 H2O 1776 H2O O1 4 -0.847600 15.9994 0 - 7343 H2O 1776 H2O H1 3 0.423800 1.0079 0 - 7344 H2O 1776 H2O H2 3 0.423800 1.0079 0 - 7345 H2O 1777 H2O O1 4 -0.847600 15.9994 0 - 7346 H2O 1777 H2O H1 3 0.423800 1.0079 0 - 7347 H2O 1777 H2O H2 3 0.423800 1.0079 0 - 7348 H2O 1778 H2O O1 4 -0.847600 15.9994 0 - 7349 H2O 1778 H2O H1 3 0.423800 1.0079 0 - 7350 H2O 1778 H2O H2 3 0.423800 1.0079 0 - 7351 H2O 1779 H2O O1 4 -0.847600 15.9994 0 - 7352 H2O 1779 H2O H1 3 0.423800 1.0079 0 - 7353 H2O 1779 H2O H2 3 0.423800 1.0079 0 - 7354 H2O 1780 H2O O1 4 -0.847600 15.9994 0 - 7355 H2O 1780 H2O H1 3 0.423800 1.0079 0 - 7356 H2O 1780 H2O H2 3 0.423800 1.0079 0 - 7357 H2O 1781 H2O O1 4 -0.847600 15.9994 0 - 7358 H2O 1781 H2O H1 3 0.423800 1.0079 0 - 7359 H2O 1781 H2O H2 3 0.423800 1.0079 0 - 7360 H2O 1782 H2O O1 4 -0.847600 15.9994 0 - 7361 H2O 1782 H2O H1 3 0.423800 1.0079 0 - 7362 H2O 1782 H2O H2 3 0.423800 1.0079 0 - 7363 H2O 1783 H2O O1 4 -0.847600 15.9994 0 - 7364 H2O 1783 H2O H1 3 0.423800 1.0079 0 - 7365 H2O 1783 H2O H2 3 0.423800 1.0079 0 - 7366 H2O 1784 H2O O1 4 -0.847600 15.9994 0 - 7367 H2O 1784 H2O H1 3 0.423800 1.0079 0 - 7368 H2O 1784 H2O H2 3 0.423800 1.0079 0 - 7369 H2O 1785 H2O O1 4 -0.847600 15.9994 0 - 7370 H2O 1785 H2O H1 3 0.423800 1.0079 0 - 7371 H2O 1785 H2O H2 3 0.423800 1.0079 0 - 7372 H2O 1786 H2O O1 4 -0.847600 15.9994 0 - 7373 H2O 1786 H2O H1 3 0.423800 1.0079 0 - 7374 H2O 1786 H2O H2 3 0.423800 1.0079 0 - 7375 H2O 1787 H2O O1 4 -0.847600 15.9994 0 - 7376 H2O 1787 H2O H1 3 0.423800 1.0079 0 - 7377 H2O 1787 H2O H2 3 0.423800 1.0079 0 - 7378 H2O 1788 H2O O1 4 -0.847600 15.9994 0 - 7379 H2O 1788 H2O H1 3 0.423800 1.0079 0 - 7380 H2O 1788 H2O H2 3 0.423800 1.0079 0 - 7381 H2O 1789 H2O O1 4 -0.847600 15.9994 0 - 7382 H2O 1789 H2O H1 3 0.423800 1.0079 0 - 7383 H2O 1789 H2O H2 3 0.423800 1.0079 0 - 7384 H2O 1790 H2O O1 4 -0.847600 15.9994 0 - 7385 H2O 1790 H2O H1 3 0.423800 1.0079 0 - 7386 H2O 1790 H2O H2 3 0.423800 1.0079 0 - 7387 H2O 1791 H2O O1 4 -0.847600 15.9994 0 - 7388 H2O 1791 H2O H1 3 0.423800 1.0079 0 - 7389 H2O 1791 H2O H2 3 0.423800 1.0079 0 - 7390 H2O 1792 H2O O1 4 -0.847600 15.9994 0 - 7391 H2O 1792 H2O H1 3 0.423800 1.0079 0 - 7392 H2O 1792 H2O H2 3 0.423800 1.0079 0 - 7393 H2O 1793 H2O O1 4 -0.847600 15.9994 0 - 7394 H2O 1793 H2O H1 3 0.423800 1.0079 0 - 7395 H2O 1793 H2O H2 3 0.423800 1.0079 0 - 7396 H2O 1794 H2O O1 4 -0.847600 15.9994 0 - 7397 H2O 1794 H2O H1 3 0.423800 1.0079 0 - 7398 H2O 1794 H2O H2 3 0.423800 1.0079 0 - 7399 H2O 1795 H2O O1 4 -0.847600 15.9994 0 - 7400 H2O 1795 H2O H1 3 0.423800 1.0079 0 - 7401 H2O 1795 H2O H2 3 0.423800 1.0079 0 - 7402 H2O 1796 H2O O1 4 -0.847600 15.9994 0 - 7403 H2O 1796 H2O H1 3 0.423800 1.0079 0 - 7404 H2O 1796 H2O H2 3 0.423800 1.0079 0 - 7405 H2O 1797 H2O O1 4 -0.847600 15.9994 0 - 7406 H2O 1797 H2O H1 3 0.423800 1.0079 0 - 7407 H2O 1797 H2O H2 3 0.423800 1.0079 0 - 7408 H2O 1798 H2O O1 4 -0.847600 15.9994 0 - 7409 H2O 1798 H2O H1 3 0.423800 1.0079 0 - 7410 H2O 1798 H2O H2 3 0.423800 1.0079 0 - 7411 H2O 1799 H2O O1 4 -0.847600 15.9994 0 - 7412 H2O 1799 H2O H1 3 0.423800 1.0079 0 - 7413 H2O 1799 H2O H2 3 0.423800 1.0079 0 - 7414 H2O 1800 H2O O1 4 -0.847600 15.9994 0 - 7415 H2O 1800 H2O H1 3 0.423800 1.0079 0 - 7416 H2O 1800 H2O H2 3 0.423800 1.0079 0 - 7417 H2O 1801 H2O O1 4 -0.847600 15.9994 0 - 7418 H2O 1801 H2O H1 3 0.423800 1.0079 0 - 7419 H2O 1801 H2O H2 3 0.423800 1.0079 0 - 7420 H2O 1802 H2O O1 4 -0.847600 15.9994 0 - 7421 H2O 1802 H2O H1 3 0.423800 1.0079 0 - 7422 H2O 1802 H2O H2 3 0.423800 1.0079 0 - 7423 H2O 1803 H2O O1 4 -0.847600 15.9994 0 - 7424 H2O 1803 H2O H1 3 0.423800 1.0079 0 - 7425 H2O 1803 H2O H2 3 0.423800 1.0079 0 - 7426 H2O 1804 H2O O1 4 -0.847600 15.9994 0 - 7427 H2O 1804 H2O H1 3 0.423800 1.0079 0 - 7428 H2O 1804 H2O H2 3 0.423800 1.0079 0 - 7429 H2O 1805 H2O O1 4 -0.847600 15.9994 0 - 7430 H2O 1805 H2O H1 3 0.423800 1.0079 0 - 7431 H2O 1805 H2O H2 3 0.423800 1.0079 0 - 7432 H2O 1806 H2O O1 4 -0.847600 15.9994 0 - 7433 H2O 1806 H2O H1 3 0.423800 1.0079 0 - 7434 H2O 1806 H2O H2 3 0.423800 1.0079 0 - 7435 H2O 1807 H2O O1 4 -0.847600 15.9994 0 - 7436 H2O 1807 H2O H1 3 0.423800 1.0079 0 - 7437 H2O 1807 H2O H2 3 0.423800 1.0079 0 - 7438 H2O 1808 H2O O1 4 -0.847600 15.9994 0 - 7439 H2O 1808 H2O H1 3 0.423800 1.0079 0 - 7440 H2O 1808 H2O H2 3 0.423800 1.0079 0 - 7441 H2O 1809 H2O O1 4 -0.847600 15.9994 0 - 7442 H2O 1809 H2O H1 3 0.423800 1.0079 0 - 7443 H2O 1809 H2O H2 3 0.423800 1.0079 0 - 7444 H2O 1810 H2O O1 4 -0.847600 15.9994 0 - 7445 H2O 1810 H2O H1 3 0.423800 1.0079 0 - 7446 H2O 1810 H2O H2 3 0.423800 1.0079 0 - 7447 H2O 1811 H2O O1 4 -0.847600 15.9994 0 - 7448 H2O 1811 H2O H1 3 0.423800 1.0079 0 - 7449 H2O 1811 H2O H2 3 0.423800 1.0079 0 - 7450 H2O 1812 H2O O1 4 -0.847600 15.9994 0 - 7451 H2O 1812 H2O H1 3 0.423800 1.0079 0 - 7452 H2O 1812 H2O H2 3 0.423800 1.0079 0 - 7453 H2O 1813 H2O O1 4 -0.847600 15.9994 0 - 7454 H2O 1813 H2O H1 3 0.423800 1.0079 0 - 7455 H2O 1813 H2O H2 3 0.423800 1.0079 0 - 7456 H2O 1814 H2O O1 4 -0.847600 15.9994 0 - 7457 H2O 1814 H2O H1 3 0.423800 1.0079 0 - 7458 H2O 1814 H2O H2 3 0.423800 1.0079 0 - 7459 H2O 1815 H2O O1 4 -0.847600 15.9994 0 - 7460 H2O 1815 H2O H1 3 0.423800 1.0079 0 - 7461 H2O 1815 H2O H2 3 0.423800 1.0079 0 - 7462 H2O 1816 H2O O1 4 -0.847600 15.9994 0 - 7463 H2O 1816 H2O H1 3 0.423800 1.0079 0 - 7464 H2O 1816 H2O H2 3 0.423800 1.0079 0 - 7465 H2O 1817 H2O O1 4 -0.847600 15.9994 0 - 7466 H2O 1817 H2O H1 3 0.423800 1.0079 0 - 7467 H2O 1817 H2O H2 3 0.423800 1.0079 0 - 7468 H2O 1818 H2O O1 4 -0.847600 15.9994 0 - 7469 H2O 1818 H2O H1 3 0.423800 1.0079 0 - 7470 H2O 1818 H2O H2 3 0.423800 1.0079 0 - 7471 H2O 1819 H2O O1 4 -0.847600 15.9994 0 - 7472 H2O 1819 H2O H1 3 0.423800 1.0079 0 - 7473 H2O 1819 H2O H2 3 0.423800 1.0079 0 - 7474 H2O 1820 H2O O1 4 -0.847600 15.9994 0 - 7475 H2O 1820 H2O H1 3 0.423800 1.0079 0 - 7476 H2O 1820 H2O H2 3 0.423800 1.0079 0 - 7477 H2O 1821 H2O O1 4 -0.847600 15.9994 0 - 7478 H2O 1821 H2O H1 3 0.423800 1.0079 0 - 7479 H2O 1821 H2O H2 3 0.423800 1.0079 0 - 7480 H2O 1822 H2O O1 4 -0.847600 15.9994 0 - 7481 H2O 1822 H2O H1 3 0.423800 1.0079 0 - 7482 H2O 1822 H2O H2 3 0.423800 1.0079 0 - 7483 H2O 1823 H2O O1 4 -0.847600 15.9994 0 - 7484 H2O 1823 H2O H1 3 0.423800 1.0079 0 - 7485 H2O 1823 H2O H2 3 0.423800 1.0079 0 - 7486 H2O 1824 H2O O1 4 -0.847600 15.9994 0 - 7487 H2O 1824 H2O H1 3 0.423800 1.0079 0 - 7488 H2O 1824 H2O H2 3 0.423800 1.0079 0 - 7489 H2O 1825 H2O O1 4 -0.847600 15.9994 0 - 7490 H2O 1825 H2O H1 3 0.423800 1.0079 0 - 7491 H2O 1825 H2O H2 3 0.423800 1.0079 0 - 7492 H2O 1826 H2O O1 4 -0.847600 15.9994 0 - 7493 H2O 1826 H2O H1 3 0.423800 1.0079 0 - 7494 H2O 1826 H2O H2 3 0.423800 1.0079 0 - 7495 H2O 1827 H2O O1 4 -0.847600 15.9994 0 - 7496 H2O 1827 H2O H1 3 0.423800 1.0079 0 - 7497 H2O 1827 H2O H2 3 0.423800 1.0079 0 - 7498 H2O 1828 H2O O1 4 -0.847600 15.9994 0 - 7499 H2O 1828 H2O H1 3 0.423800 1.0079 0 - 7500 H2O 1828 H2O H2 3 0.423800 1.0079 0 - 7501 H2O 1829 H2O O1 4 -0.847600 15.9994 0 - 7502 H2O 1829 H2O H1 3 0.423800 1.0079 0 - 7503 H2O 1829 H2O H2 3 0.423800 1.0079 0 - 7504 H2O 1830 H2O O1 4 -0.847600 15.9994 0 - 7505 H2O 1830 H2O H1 3 0.423800 1.0079 0 - 7506 H2O 1830 H2O H2 3 0.423800 1.0079 0 - 7507 H2O 1831 H2O O1 4 -0.847600 15.9994 0 - 7508 H2O 1831 H2O H1 3 0.423800 1.0079 0 - 7509 H2O 1831 H2O H2 3 0.423800 1.0079 0 - 7510 H2O 1832 H2O O1 4 -0.847600 15.9994 0 - 7511 H2O 1832 H2O H1 3 0.423800 1.0079 0 - 7512 H2O 1832 H2O H2 3 0.423800 1.0079 0 - 7513 H2O 1833 H2O O1 4 -0.847600 15.9994 0 - 7514 H2O 1833 H2O H1 3 0.423800 1.0079 0 - 7515 H2O 1833 H2O H2 3 0.423800 1.0079 0 - 7516 H2O 1834 H2O O1 4 -0.847600 15.9994 0 - 7517 H2O 1834 H2O H1 3 0.423800 1.0079 0 - 7518 H2O 1834 H2O H2 3 0.423800 1.0079 0 - 7519 H2O 1835 H2O O1 4 -0.847600 15.9994 0 - 7520 H2O 1835 H2O H1 3 0.423800 1.0079 0 - 7521 H2O 1835 H2O H2 3 0.423800 1.0079 0 - 7522 H2O 1836 H2O O1 4 -0.847600 15.9994 0 - 7523 H2O 1836 H2O H1 3 0.423800 1.0079 0 - 7524 H2O 1836 H2O H2 3 0.423800 1.0079 0 - 7525 H2O 1837 H2O O1 4 -0.847600 15.9994 0 - 7526 H2O 1837 H2O H1 3 0.423800 1.0079 0 - 7527 H2O 1837 H2O H2 3 0.423800 1.0079 0 - 7528 H2O 1838 H2O O1 4 -0.847600 15.9994 0 - 7529 H2O 1838 H2O H1 3 0.423800 1.0079 0 - 7530 H2O 1838 H2O H2 3 0.423800 1.0079 0 - 7531 H2O 1839 H2O O1 4 -0.847600 15.9994 0 - 7532 H2O 1839 H2O H1 3 0.423800 1.0079 0 - 7533 H2O 1839 H2O H2 3 0.423800 1.0079 0 - 7534 H2O 1840 H2O O1 4 -0.847600 15.9994 0 - 7535 H2O 1840 H2O H1 3 0.423800 1.0079 0 - 7536 H2O 1840 H2O H2 3 0.423800 1.0079 0 - 7537 H2O 1841 H2O O1 4 -0.847600 15.9994 0 - 7538 H2O 1841 H2O H1 3 0.423800 1.0079 0 - 7539 H2O 1841 H2O H2 3 0.423800 1.0079 0 - 7540 H2O 1842 H2O O1 4 -0.847600 15.9994 0 - 7541 H2O 1842 H2O H1 3 0.423800 1.0079 0 - 7542 H2O 1842 H2O H2 3 0.423800 1.0079 0 - 7543 H2O 1843 H2O O1 4 -0.847600 15.9994 0 - 7544 H2O 1843 H2O H1 3 0.423800 1.0079 0 - 7545 H2O 1843 H2O H2 3 0.423800 1.0079 0 - 7546 H2O 1844 H2O O1 4 -0.847600 15.9994 0 - 7547 H2O 1844 H2O H1 3 0.423800 1.0079 0 - 7548 H2O 1844 H2O H2 3 0.423800 1.0079 0 - 7549 H2O 1845 H2O O1 4 -0.847600 15.9994 0 - 7550 H2O 1845 H2O H1 3 0.423800 1.0079 0 - 7551 H2O 1845 H2O H2 3 0.423800 1.0079 0 - 7552 H2O 1846 H2O O1 4 -0.847600 15.9994 0 - 7553 H2O 1846 H2O H1 3 0.423800 1.0079 0 - 7554 H2O 1846 H2O H2 3 0.423800 1.0079 0 - 7555 H2O 1847 H2O O1 4 -0.847600 15.9994 0 - 7556 H2O 1847 H2O H1 3 0.423800 1.0079 0 - 7557 H2O 1847 H2O H2 3 0.423800 1.0079 0 - 7558 H2O 1848 H2O O1 4 -0.847600 15.9994 0 - 7559 H2O 1848 H2O H1 3 0.423800 1.0079 0 - 7560 H2O 1848 H2O H2 3 0.423800 1.0079 0 - 7561 H2O 1849 H2O O1 4 -0.847600 15.9994 0 - 7562 H2O 1849 H2O H1 3 0.423800 1.0079 0 - 7563 H2O 1849 H2O H2 3 0.423800 1.0079 0 - 7564 H2O 1850 H2O O1 4 -0.847600 15.9994 0 - 7565 H2O 1850 H2O H1 3 0.423800 1.0079 0 - 7566 H2O 1850 H2O H2 3 0.423800 1.0079 0 - 7567 H2O 1851 H2O O1 4 -0.847600 15.9994 0 - 7568 H2O 1851 H2O H1 3 0.423800 1.0079 0 - 7569 H2O 1851 H2O H2 3 0.423800 1.0079 0 - 7570 H2O 1852 H2O O1 4 -0.847600 15.9994 0 - 7571 H2O 1852 H2O H1 3 0.423800 1.0079 0 - 7572 H2O 1852 H2O H2 3 0.423800 1.0079 0 - 7573 H2O 1853 H2O O1 4 -0.847600 15.9994 0 - 7574 H2O 1853 H2O H1 3 0.423800 1.0079 0 - 7575 H2O 1853 H2O H2 3 0.423800 1.0079 0 - 7576 H2O 1854 H2O O1 4 -0.847600 15.9994 0 - 7577 H2O 1854 H2O H1 3 0.423800 1.0079 0 - 7578 H2O 1854 H2O H2 3 0.423800 1.0079 0 - 7579 H2O 1855 H2O O1 4 -0.847600 15.9994 0 - 7580 H2O 1855 H2O H1 3 0.423800 1.0079 0 - 7581 H2O 1855 H2O H2 3 0.423800 1.0079 0 - 7582 H2O 1856 H2O O1 4 -0.847600 15.9994 0 - 7583 H2O 1856 H2O H1 3 0.423800 1.0079 0 - 7584 H2O 1856 H2O H2 3 0.423800 1.0079 0 - 7585 H2O 1857 H2O O1 4 -0.847600 15.9994 0 - 7586 H2O 1857 H2O H1 3 0.423800 1.0079 0 - 7587 H2O 1857 H2O H2 3 0.423800 1.0079 0 - 7588 H2O 1858 H2O O1 4 -0.847600 15.9994 0 - 7589 H2O 1858 H2O H1 3 0.423800 1.0079 0 - 7590 H2O 1858 H2O H2 3 0.423800 1.0079 0 - 7591 H2O 1859 H2O O1 4 -0.847600 15.9994 0 - 7592 H2O 1859 H2O H1 3 0.423800 1.0079 0 - 7593 H2O 1859 H2O H2 3 0.423800 1.0079 0 - 7594 H2O 1860 H2O O1 4 -0.847600 15.9994 0 - 7595 H2O 1860 H2O H1 3 0.423800 1.0079 0 - 7596 H2O 1860 H2O H2 3 0.423800 1.0079 0 - 7597 H2O 1861 H2O O1 4 -0.847600 15.9994 0 - 7598 H2O 1861 H2O H1 3 0.423800 1.0079 0 - 7599 H2O 1861 H2O H2 3 0.423800 1.0079 0 - 7600 H2O 1862 H2O O1 4 -0.847600 15.9994 0 - 7601 H2O 1862 H2O H1 3 0.423800 1.0079 0 - 7602 H2O 1862 H2O H2 3 0.423800 1.0079 0 - 7603 H2O 1863 H2O O1 4 -0.847600 15.9994 0 - 7604 H2O 1863 H2O H1 3 0.423800 1.0079 0 - 7605 H2O 1863 H2O H2 3 0.423800 1.0079 0 - 7606 H2O 1864 H2O O1 4 -0.847600 15.9994 0 - 7607 H2O 1864 H2O H1 3 0.423800 1.0079 0 - 7608 H2O 1864 H2O H2 3 0.423800 1.0079 0 - 7609 H2O 1865 H2O O1 4 -0.847600 15.9994 0 - 7610 H2O 1865 H2O H1 3 0.423800 1.0079 0 - 7611 H2O 1865 H2O H2 3 0.423800 1.0079 0 - 7612 H2O 1866 H2O O1 4 -0.847600 15.9994 0 - 7613 H2O 1866 H2O H1 3 0.423800 1.0079 0 - 7614 H2O 1866 H2O H2 3 0.423800 1.0079 0 - 7615 H2O 1867 H2O O1 4 -0.847600 15.9994 0 - 7616 H2O 1867 H2O H1 3 0.423800 1.0079 0 - 7617 H2O 1867 H2O H2 3 0.423800 1.0079 0 - 7618 H2O 1868 H2O O1 4 -0.847600 15.9994 0 - 7619 H2O 1868 H2O H1 3 0.423800 1.0079 0 - 7620 H2O 1868 H2O H2 3 0.423800 1.0079 0 - 7621 H2O 1869 H2O O1 4 -0.847600 15.9994 0 - 7622 H2O 1869 H2O H1 3 0.423800 1.0079 0 - 7623 H2O 1869 H2O H2 3 0.423800 1.0079 0 - 7624 H2O 1870 H2O O1 4 -0.847600 15.9994 0 - 7625 H2O 1870 H2O H1 3 0.423800 1.0079 0 - 7626 H2O 1870 H2O H2 3 0.423800 1.0079 0 - 7627 H2O 1871 H2O O1 4 -0.847600 15.9994 0 - 7628 H2O 1871 H2O H1 3 0.423800 1.0079 0 - 7629 H2O 1871 H2O H2 3 0.423800 1.0079 0 - 7630 H2O 1872 H2O O1 4 -0.847600 15.9994 0 - 7631 H2O 1872 H2O H1 3 0.423800 1.0079 0 - 7632 H2O 1872 H2O H2 3 0.423800 1.0079 0 - 7633 H2O 1873 H2O O1 4 -0.847600 15.9994 0 - 7634 H2O 1873 H2O H1 3 0.423800 1.0079 0 - 7635 H2O 1873 H2O H2 3 0.423800 1.0079 0 - 7636 H2O 1874 H2O O1 4 -0.847600 15.9994 0 - 7637 H2O 1874 H2O H1 3 0.423800 1.0079 0 - 7638 H2O 1874 H2O H2 3 0.423800 1.0079 0 - 7639 H2O 1875 H2O O1 4 -0.847600 15.9994 0 - 7640 H2O 1875 H2O H1 3 0.423800 1.0079 0 - 7641 H2O 1875 H2O H2 3 0.423800 1.0079 0 - 7642 H2O 1876 H2O O1 4 -0.847600 15.9994 0 - 7643 H2O 1876 H2O H1 3 0.423800 1.0079 0 - 7644 H2O 1876 H2O H2 3 0.423800 1.0079 0 - 7645 H2O 1877 H2O O1 4 -0.847600 15.9994 0 - 7646 H2O 1877 H2O H1 3 0.423800 1.0079 0 - 7647 H2O 1877 H2O H2 3 0.423800 1.0079 0 - 7648 H2O 1878 H2O O1 4 -0.847600 15.9994 0 - 7649 H2O 1878 H2O H1 3 0.423800 1.0079 0 - 7650 H2O 1878 H2O H2 3 0.423800 1.0079 0 - 7651 H2O 1879 H2O O1 4 -0.847600 15.9994 0 - 7652 H2O 1879 H2O H1 3 0.423800 1.0079 0 - 7653 H2O 1879 H2O H2 3 0.423800 1.0079 0 - 7654 H2O 1880 H2O O1 4 -0.847600 15.9994 0 - 7655 H2O 1880 H2O H1 3 0.423800 1.0079 0 - 7656 H2O 1880 H2O H2 3 0.423800 1.0079 0 - 7657 H2O 1881 H2O O1 4 -0.847600 15.9994 0 - 7658 H2O 1881 H2O H1 3 0.423800 1.0079 0 - 7659 H2O 1881 H2O H2 3 0.423800 1.0079 0 - 7660 H2O 1882 H2O O1 4 -0.847600 15.9994 0 - 7661 H2O 1882 H2O H1 3 0.423800 1.0079 0 - 7662 H2O 1882 H2O H2 3 0.423800 1.0079 0 - 7663 H2O 1883 H2O O1 4 -0.847600 15.9994 0 - 7664 H2O 1883 H2O H1 3 0.423800 1.0079 0 - 7665 H2O 1883 H2O H2 3 0.423800 1.0079 0 - 7666 H2O 1884 H2O O1 4 -0.847600 15.9994 0 - 7667 H2O 1884 H2O H1 3 0.423800 1.0079 0 - 7668 H2O 1884 H2O H2 3 0.423800 1.0079 0 - 7669 H2O 1885 H2O O1 4 -0.847600 15.9994 0 - 7670 H2O 1885 H2O H1 3 0.423800 1.0079 0 - 7671 H2O 1885 H2O H2 3 0.423800 1.0079 0 - 7672 H2O 1886 H2O O1 4 -0.847600 15.9994 0 - 7673 H2O 1886 H2O H1 3 0.423800 1.0079 0 - 7674 H2O 1886 H2O H2 3 0.423800 1.0079 0 - 7675 H2O 1887 H2O O1 4 -0.847600 15.9994 0 - 7676 H2O 1887 H2O H1 3 0.423800 1.0079 0 - 7677 H2O 1887 H2O H2 3 0.423800 1.0079 0 - 7678 H2O 1888 H2O O1 4 -0.847600 15.9994 0 - 7679 H2O 1888 H2O H1 3 0.423800 1.0079 0 - 7680 H2O 1888 H2O H2 3 0.423800 1.0079 0 - 7681 H2O 1889 H2O O1 4 -0.847600 15.9994 0 - 7682 H2O 1889 H2O H1 3 0.423800 1.0079 0 - 7683 H2O 1889 H2O H2 3 0.423800 1.0079 0 - 7684 H2O 1890 H2O O1 4 -0.847600 15.9994 0 - 7685 H2O 1890 H2O H1 3 0.423800 1.0079 0 - 7686 H2O 1890 H2O H2 3 0.423800 1.0079 0 - 7687 H2O 1891 H2O O1 4 -0.847600 15.9994 0 - 7688 H2O 1891 H2O H1 3 0.423800 1.0079 0 - 7689 H2O 1891 H2O H2 3 0.423800 1.0079 0 - 7690 H2O 1892 H2O O1 4 -0.847600 15.9994 0 - 7691 H2O 1892 H2O H1 3 0.423800 1.0079 0 - 7692 H2O 1892 H2O H2 3 0.423800 1.0079 0 - 7693 H2O 1893 H2O O1 4 -0.847600 15.9994 0 - 7694 H2O 1893 H2O H1 3 0.423800 1.0079 0 - 7695 H2O 1893 H2O H2 3 0.423800 1.0079 0 - 7696 H2O 1894 H2O O1 4 -0.847600 15.9994 0 - 7697 H2O 1894 H2O H1 3 0.423800 1.0079 0 - 7698 H2O 1894 H2O H2 3 0.423800 1.0079 0 - 7699 H2O 1895 H2O O1 4 -0.847600 15.9994 0 - 7700 H2O 1895 H2O H1 3 0.423800 1.0079 0 - 7701 H2O 1895 H2O H2 3 0.423800 1.0079 0 - 7702 H2O 1896 H2O O1 4 -0.847600 15.9994 0 - 7703 H2O 1896 H2O H1 3 0.423800 1.0079 0 - 7704 H2O 1896 H2O H2 3 0.423800 1.0079 0 - 7705 H2O 1897 H2O O1 4 -0.847600 15.9994 0 - 7706 H2O 1897 H2O H1 3 0.423800 1.0079 0 - 7707 H2O 1897 H2O H2 3 0.423800 1.0079 0 - 7708 H2O 1898 H2O O1 4 -0.847600 15.9994 0 - 7709 H2O 1898 H2O H1 3 0.423800 1.0079 0 - 7710 H2O 1898 H2O H2 3 0.423800 1.0079 0 - 7711 H2O 1899 H2O O1 4 -0.847600 15.9994 0 - 7712 H2O 1899 H2O H1 3 0.423800 1.0079 0 - 7713 H2O 1899 H2O H2 3 0.423800 1.0079 0 - 7714 H2O 1900 H2O O1 4 -0.847600 15.9994 0 - 7715 H2O 1900 H2O H1 3 0.423800 1.0079 0 - 7716 H2O 1900 H2O H2 3 0.423800 1.0079 0 - 7717 H2O 1901 H2O O1 4 -0.847600 15.9994 0 - 7718 H2O 1901 H2O H1 3 0.423800 1.0079 0 - 7719 H2O 1901 H2O H2 3 0.423800 1.0079 0 - 7720 H2O 1902 H2O O1 4 -0.847600 15.9994 0 - 7721 H2O 1902 H2O H1 3 0.423800 1.0079 0 - 7722 H2O 1902 H2O H2 3 0.423800 1.0079 0 - 7723 H2O 1903 H2O O1 4 -0.847600 15.9994 0 - 7724 H2O 1903 H2O H1 3 0.423800 1.0079 0 - 7725 H2O 1903 H2O H2 3 0.423800 1.0079 0 - 7726 H2O 1904 H2O O1 4 -0.847600 15.9994 0 - 7727 H2O 1904 H2O H1 3 0.423800 1.0079 0 - 7728 H2O 1904 H2O H2 3 0.423800 1.0079 0 - 7729 H2O 1905 H2O O1 4 -0.847600 15.9994 0 - 7730 H2O 1905 H2O H1 3 0.423800 1.0079 0 - 7731 H2O 1905 H2O H2 3 0.423800 1.0079 0 - 7732 H2O 1906 H2O O1 4 -0.847600 15.9994 0 - 7733 H2O 1906 H2O H1 3 0.423800 1.0079 0 - 7734 H2O 1906 H2O H2 3 0.423800 1.0079 0 - 7735 H2O 1907 H2O O1 4 -0.847600 15.9994 0 - 7736 H2O 1907 H2O H1 3 0.423800 1.0079 0 - 7737 H2O 1907 H2O H2 3 0.423800 1.0079 0 - 7738 H2O 1908 H2O O1 4 -0.847600 15.9994 0 - 7739 H2O 1908 H2O H1 3 0.423800 1.0079 0 - 7740 H2O 1908 H2O H2 3 0.423800 1.0079 0 - 7741 H2O 1909 H2O O1 4 -0.847600 15.9994 0 - 7742 H2O 1909 H2O H1 3 0.423800 1.0079 0 - 7743 H2O 1909 H2O H2 3 0.423800 1.0079 0 - 7744 H2O 1910 H2O O1 4 -0.847600 15.9994 0 - 7745 H2O 1910 H2O H1 3 0.423800 1.0079 0 - 7746 H2O 1910 H2O H2 3 0.423800 1.0079 0 - 7747 H2O 1911 H2O O1 4 -0.847600 15.9994 0 - 7748 H2O 1911 H2O H1 3 0.423800 1.0079 0 - 7749 H2O 1911 H2O H2 3 0.423800 1.0079 0 - 7750 H2O 1912 H2O O1 4 -0.847600 15.9994 0 - 7751 H2O 1912 H2O H1 3 0.423800 1.0079 0 - 7752 H2O 1912 H2O H2 3 0.423800 1.0079 0 - 7753 H2O 1913 H2O O1 4 -0.847600 15.9994 0 - 7754 H2O 1913 H2O H1 3 0.423800 1.0079 0 - 7755 H2O 1913 H2O H2 3 0.423800 1.0079 0 - 7756 H2O 1914 H2O O1 4 -0.847600 15.9994 0 - 7757 H2O 1914 H2O H1 3 0.423800 1.0079 0 - 7758 H2O 1914 H2O H2 3 0.423800 1.0079 0 - 7759 H2O 1915 H2O O1 4 -0.847600 15.9994 0 - 7760 H2O 1915 H2O H1 3 0.423800 1.0079 0 - 7761 H2O 1915 H2O H2 3 0.423800 1.0079 0 - 7762 H2O 1916 H2O O1 4 -0.847600 15.9994 0 - 7763 H2O 1916 H2O H1 3 0.423800 1.0079 0 - 7764 H2O 1916 H2O H2 3 0.423800 1.0079 0 - 7765 H2O 1917 H2O O1 4 -0.847600 15.9994 0 - 7766 H2O 1917 H2O H1 3 0.423800 1.0079 0 - 7767 H2O 1917 H2O H2 3 0.423800 1.0079 0 - 7768 H2O 1918 H2O O1 4 -0.847600 15.9994 0 - 7769 H2O 1918 H2O H1 3 0.423800 1.0079 0 - 7770 H2O 1918 H2O H2 3 0.423800 1.0079 0 - 7771 H2O 1919 H2O O1 4 -0.847600 15.9994 0 - 7772 H2O 1919 H2O H1 3 0.423800 1.0079 0 - 7773 H2O 1919 H2O H2 3 0.423800 1.0079 0 - 7774 H2O 1920 H2O O1 4 -0.847600 15.9994 0 - 7775 H2O 1920 H2O H1 3 0.423800 1.0079 0 - 7776 H2O 1920 H2O H2 3 0.423800 1.0079 0 - 7777 H2O 1921 H2O O1 4 -0.847600 15.9994 0 - 7778 H2O 1921 H2O H1 3 0.423800 1.0079 0 - 7779 H2O 1921 H2O H2 3 0.423800 1.0079 0 - 7780 H2O 1922 H2O O1 4 -0.847600 15.9994 0 - 7781 H2O 1922 H2O H1 3 0.423800 1.0079 0 - 7782 H2O 1922 H2O H2 3 0.423800 1.0079 0 - 7783 H2O 1923 H2O O1 4 -0.847600 15.9994 0 - 7784 H2O 1923 H2O H1 3 0.423800 1.0079 0 - 7785 H2O 1923 H2O H2 3 0.423800 1.0079 0 - 7786 H2O 1924 H2O O1 4 -0.847600 15.9994 0 - 7787 H2O 1924 H2O H1 3 0.423800 1.0079 0 - 7788 H2O 1924 H2O H2 3 0.423800 1.0079 0 - 7789 H2O 1925 H2O O1 4 -0.847600 15.9994 0 - 7790 H2O 1925 H2O H1 3 0.423800 1.0079 0 - 7791 H2O 1925 H2O H2 3 0.423800 1.0079 0 - 7792 H2O 1926 H2O O1 4 -0.847600 15.9994 0 - 7793 H2O 1926 H2O H1 3 0.423800 1.0079 0 - 7794 H2O 1926 H2O H2 3 0.423800 1.0079 0 - 7795 H2O 1927 H2O O1 4 -0.847600 15.9994 0 - 7796 H2O 1927 H2O H1 3 0.423800 1.0079 0 - 7797 H2O 1927 H2O H2 3 0.423800 1.0079 0 - 7798 H2O 1928 H2O O1 4 -0.847600 15.9994 0 - 7799 H2O 1928 H2O H1 3 0.423800 1.0079 0 - 7800 H2O 1928 H2O H2 3 0.423800 1.0079 0 - 7801 H2O 1929 H2O O1 4 -0.847600 15.9994 0 - 7802 H2O 1929 H2O H1 3 0.423800 1.0079 0 - 7803 H2O 1929 H2O H2 3 0.423800 1.0079 0 - 7804 H2O 1930 H2O O1 4 -0.847600 15.9994 0 - 7805 H2O 1930 H2O H1 3 0.423800 1.0079 0 - 7806 H2O 1930 H2O H2 3 0.423800 1.0079 0 - 7807 H2O 1931 H2O O1 4 -0.847600 15.9994 0 - 7808 H2O 1931 H2O H1 3 0.423800 1.0079 0 - 7809 H2O 1931 H2O H2 3 0.423800 1.0079 0 - 7810 H2O 1932 H2O O1 4 -0.847600 15.9994 0 - 7811 H2O 1932 H2O H1 3 0.423800 1.0079 0 - 7812 H2O 1932 H2O H2 3 0.423800 1.0079 0 - 7813 H2O 1933 H2O O1 4 -0.847600 15.9994 0 - 7814 H2O 1933 H2O H1 3 0.423800 1.0079 0 - 7815 H2O 1933 H2O H2 3 0.423800 1.0079 0 - 7816 H2O 1934 H2O O1 4 -0.847600 15.9994 0 - 7817 H2O 1934 H2O H1 3 0.423800 1.0079 0 - 7818 H2O 1934 H2O H2 3 0.423800 1.0079 0 - 7819 H2O 1935 H2O O1 4 -0.847600 15.9994 0 - 7820 H2O 1935 H2O H1 3 0.423800 1.0079 0 - 7821 H2O 1935 H2O H2 3 0.423800 1.0079 0 - 7822 H2O 1936 H2O O1 4 -0.847600 15.9994 0 - 7823 H2O 1936 H2O H1 3 0.423800 1.0079 0 - 7824 H2O 1936 H2O H2 3 0.423800 1.0079 0 - 7825 H2O 1937 H2O O1 4 -0.847600 15.9994 0 - 7826 H2O 1937 H2O H1 3 0.423800 1.0079 0 - 7827 H2O 1937 H2O H2 3 0.423800 1.0079 0 - 7828 H2O 1938 H2O O1 4 -0.847600 15.9994 0 - 7829 H2O 1938 H2O H1 3 0.423800 1.0079 0 - 7830 H2O 1938 H2O H2 3 0.423800 1.0079 0 - 7831 H2O 1939 H2O O1 4 -0.847600 15.9994 0 - 7832 H2O 1939 H2O H1 3 0.423800 1.0079 0 - 7833 H2O 1939 H2O H2 3 0.423800 1.0079 0 - 7834 H2O 1940 H2O O1 4 -0.847600 15.9994 0 - 7835 H2O 1940 H2O H1 3 0.423800 1.0079 0 - 7836 H2O 1940 H2O H2 3 0.423800 1.0079 0 - 7837 H2O 1941 H2O O1 4 -0.847600 15.9994 0 - 7838 H2O 1941 H2O H1 3 0.423800 1.0079 0 - 7839 H2O 1941 H2O H2 3 0.423800 1.0079 0 - 7840 H2O 1942 H2O O1 4 -0.847600 15.9994 0 - 7841 H2O 1942 H2O H1 3 0.423800 1.0079 0 - 7842 H2O 1942 H2O H2 3 0.423800 1.0079 0 - 7843 H2O 1943 H2O O1 4 -0.847600 15.9994 0 - 7844 H2O 1943 H2O H1 3 0.423800 1.0079 0 - 7845 H2O 1943 H2O H2 3 0.423800 1.0079 0 - 7846 H2O 1944 H2O O1 4 -0.847600 15.9994 0 - 7847 H2O 1944 H2O H1 3 0.423800 1.0079 0 - 7848 H2O 1944 H2O H2 3 0.423800 1.0079 0 - 7849 H2O 1945 H2O O1 4 -0.847600 15.9994 0 - 7850 H2O 1945 H2O H1 3 0.423800 1.0079 0 - 7851 H2O 1945 H2O H2 3 0.423800 1.0079 0 - 7852 H2O 1946 H2O O1 4 -0.847600 15.9994 0 - 7853 H2O 1946 H2O H1 3 0.423800 1.0079 0 - 7854 H2O 1946 H2O H2 3 0.423800 1.0079 0 - 7855 H2O 1947 H2O O1 4 -0.847600 15.9994 0 - 7856 H2O 1947 H2O H1 3 0.423800 1.0079 0 - 7857 H2O 1947 H2O H2 3 0.423800 1.0079 0 - 7858 H2O 1948 H2O O1 4 -0.847600 15.9994 0 - 7859 H2O 1948 H2O H1 3 0.423800 1.0079 0 - 7860 H2O 1948 H2O H2 3 0.423800 1.0079 0 - 7861 H2O 1949 H2O O1 4 -0.847600 15.9994 0 - 7862 H2O 1949 H2O H1 3 0.423800 1.0079 0 - 7863 H2O 1949 H2O H2 3 0.423800 1.0079 0 - 7864 H2O 1950 H2O O1 4 -0.847600 15.9994 0 - 7865 H2O 1950 H2O H1 3 0.423800 1.0079 0 - 7866 H2O 1950 H2O H2 3 0.423800 1.0079 0 - 7867 H2O 1951 H2O O1 4 -0.847600 15.9994 0 - 7868 H2O 1951 H2O H1 3 0.423800 1.0079 0 - 7869 H2O 1951 H2O H2 3 0.423800 1.0079 0 - 7870 H2O 1952 H2O O1 4 -0.847600 15.9994 0 - 7871 H2O 1952 H2O H1 3 0.423800 1.0079 0 - 7872 H2O 1952 H2O H2 3 0.423800 1.0079 0 - 7873 H2O 1953 H2O O1 4 -0.847600 15.9994 0 - 7874 H2O 1953 H2O H1 3 0.423800 1.0079 0 - 7875 H2O 1953 H2O H2 3 0.423800 1.0079 0 - 7876 H2O 1954 H2O O1 4 -0.847600 15.9994 0 - 7877 H2O 1954 H2O H1 3 0.423800 1.0079 0 - 7878 H2O 1954 H2O H2 3 0.423800 1.0079 0 - 7879 H2O 1955 H2O O1 4 -0.847600 15.9994 0 - 7880 H2O 1955 H2O H1 3 0.423800 1.0079 0 - 7881 H2O 1955 H2O H2 3 0.423800 1.0079 0 - 7882 H2O 1956 H2O O1 4 -0.847600 15.9994 0 - 7883 H2O 1956 H2O H1 3 0.423800 1.0079 0 - 7884 H2O 1956 H2O H2 3 0.423800 1.0079 0 - 7885 H2O 1957 H2O O1 4 -0.847600 15.9994 0 - 7886 H2O 1957 H2O H1 3 0.423800 1.0079 0 - 7887 H2O 1957 H2O H2 3 0.423800 1.0079 0 - 7888 H2O 1958 H2O O1 4 -0.847600 15.9994 0 - 7889 H2O 1958 H2O H1 3 0.423800 1.0079 0 - 7890 H2O 1958 H2O H2 3 0.423800 1.0079 0 - 7891 H2O 1959 H2O O1 4 -0.847600 15.9994 0 - 7892 H2O 1959 H2O H1 3 0.423800 1.0079 0 - 7893 H2O 1959 H2O H2 3 0.423800 1.0079 0 - 7894 H2O 1960 H2O O1 4 -0.847600 15.9994 0 - 7895 H2O 1960 H2O H1 3 0.423800 1.0079 0 - 7896 H2O 1960 H2O H2 3 0.423800 1.0079 0 - 7897 H2O 1961 H2O O1 4 -0.847600 15.9994 0 - 7898 H2O 1961 H2O H1 3 0.423800 1.0079 0 - 7899 H2O 1961 H2O H2 3 0.423800 1.0079 0 - 7900 H2O 1962 H2O O1 4 -0.847600 15.9994 0 - 7901 H2O 1962 H2O H1 3 0.423800 1.0079 0 - 7902 H2O 1962 H2O H2 3 0.423800 1.0079 0 - 7903 H2O 1963 H2O O1 4 -0.847600 15.9994 0 - 7904 H2O 1963 H2O H1 3 0.423800 1.0079 0 - 7905 H2O 1963 H2O H2 3 0.423800 1.0079 0 - 7906 H2O 1964 H2O O1 4 -0.847600 15.9994 0 - 7907 H2O 1964 H2O H1 3 0.423800 1.0079 0 - 7908 H2O 1964 H2O H2 3 0.423800 1.0079 0 - 7909 H2O 1965 H2O O1 4 -0.847600 15.9994 0 - 7910 H2O 1965 H2O H1 3 0.423800 1.0079 0 - 7911 H2O 1965 H2O H2 3 0.423800 1.0079 0 - 7912 H2O 1966 H2O O1 4 -0.847600 15.9994 0 - 7913 H2O 1966 H2O H1 3 0.423800 1.0079 0 - 7914 H2O 1966 H2O H2 3 0.423800 1.0079 0 - 7915 H2O 1967 H2O O1 4 -0.847600 15.9994 0 - 7916 H2O 1967 H2O H1 3 0.423800 1.0079 0 - 7917 H2O 1967 H2O H2 3 0.423800 1.0079 0 - 7918 H2O 1968 H2O O1 4 -0.847600 15.9994 0 - 7919 H2O 1968 H2O H1 3 0.423800 1.0079 0 - 7920 H2O 1968 H2O H2 3 0.423800 1.0079 0 - 7921 H2O 1969 H2O O1 4 -0.847600 15.9994 0 - 7922 H2O 1969 H2O H1 3 0.423800 1.0079 0 - 7923 H2O 1969 H2O H2 3 0.423800 1.0079 0 - 7924 H2O 1970 H2O O1 4 -0.847600 15.9994 0 - 7925 H2O 1970 H2O H1 3 0.423800 1.0079 0 - 7926 H2O 1970 H2O H2 3 0.423800 1.0079 0 - 7927 H2O 1971 H2O O1 4 -0.847600 15.9994 0 - 7928 H2O 1971 H2O H1 3 0.423800 1.0079 0 - 7929 H2O 1971 H2O H2 3 0.423800 1.0079 0 - 7930 H2O 1972 H2O O1 4 -0.847600 15.9994 0 - 7931 H2O 1972 H2O H1 3 0.423800 1.0079 0 - 7932 H2O 1972 H2O H2 3 0.423800 1.0079 0 - 7933 H2O 1973 H2O O1 4 -0.847600 15.9994 0 - 7934 H2O 1973 H2O H1 3 0.423800 1.0079 0 - 7935 H2O 1973 H2O H2 3 0.423800 1.0079 0 - 7936 H2O 1974 H2O O1 4 -0.847600 15.9994 0 - 7937 H2O 1974 H2O H1 3 0.423800 1.0079 0 - 7938 H2O 1974 H2O H2 3 0.423800 1.0079 0 - 7939 H2O 1975 H2O O1 4 -0.847600 15.9994 0 - 7940 H2O 1975 H2O H1 3 0.423800 1.0079 0 - 7941 H2O 1975 H2O H2 3 0.423800 1.0079 0 - 7942 H2O 1976 H2O O1 4 -0.847600 15.9994 0 - 7943 H2O 1976 H2O H1 3 0.423800 1.0079 0 - 7944 H2O 1976 H2O H2 3 0.423800 1.0079 0 - 7945 H2O 1977 H2O O1 4 -0.847600 15.9994 0 - 7946 H2O 1977 H2O H1 3 0.423800 1.0079 0 - 7947 H2O 1977 H2O H2 3 0.423800 1.0079 0 - 7948 H2O 1978 H2O O1 4 -0.847600 15.9994 0 - 7949 H2O 1978 H2O H1 3 0.423800 1.0079 0 - 7950 H2O 1978 H2O H2 3 0.423800 1.0079 0 - 7951 H2O 1979 H2O O1 4 -0.847600 15.9994 0 - 7952 H2O 1979 H2O H1 3 0.423800 1.0079 0 - 7953 H2O 1979 H2O H2 3 0.423800 1.0079 0 - 7954 H2O 1980 H2O O1 4 -0.847600 15.9994 0 - 7955 H2O 1980 H2O H1 3 0.423800 1.0079 0 - 7956 H2O 1980 H2O H2 3 0.423800 1.0079 0 - 7957 H2O 1981 H2O O1 4 -0.847600 15.9994 0 - 7958 H2O 1981 H2O H1 3 0.423800 1.0079 0 - 7959 H2O 1981 H2O H2 3 0.423800 1.0079 0 - 7960 H2O 1982 H2O O1 4 -0.847600 15.9994 0 - 7961 H2O 1982 H2O H1 3 0.423800 1.0079 0 - 7962 H2O 1982 H2O H2 3 0.423800 1.0079 0 - 7963 H2O 1983 H2O O1 4 -0.847600 15.9994 0 - 7964 H2O 1983 H2O H1 3 0.423800 1.0079 0 - 7965 H2O 1983 H2O H2 3 0.423800 1.0079 0 - 7966 H2O 1984 H2O O1 4 -0.847600 15.9994 0 - 7967 H2O 1984 H2O H1 3 0.423800 1.0079 0 - 7968 H2O 1984 H2O H2 3 0.423800 1.0079 0 - 7969 H2O 1985 H2O O1 4 -0.847600 15.9994 0 - 7970 H2O 1985 H2O H1 3 0.423800 1.0079 0 - 7971 H2O 1985 H2O H2 3 0.423800 1.0079 0 - 7972 H2O 1986 H2O O1 4 -0.847600 15.9994 0 - 7973 H2O 1986 H2O H1 3 0.423800 1.0079 0 - 7974 H2O 1986 H2O H2 3 0.423800 1.0079 0 - 7975 H2O 1987 H2O O1 4 -0.847600 15.9994 0 - 7976 H2O 1987 H2O H1 3 0.423800 1.0079 0 - 7977 H2O 1987 H2O H2 3 0.423800 1.0079 0 - 7978 H2O 1988 H2O O1 4 -0.847600 15.9994 0 - 7979 H2O 1988 H2O H1 3 0.423800 1.0079 0 - 7980 H2O 1988 H2O H2 3 0.423800 1.0079 0 - 7981 H2O 1989 H2O O1 4 -0.847600 15.9994 0 - 7982 H2O 1989 H2O H1 3 0.423800 1.0079 0 - 7983 H2O 1989 H2O H2 3 0.423800 1.0079 0 - 7984 H2O 1990 H2O O1 4 -0.847600 15.9994 0 - 7985 H2O 1990 H2O H1 3 0.423800 1.0079 0 - 7986 H2O 1990 H2O H2 3 0.423800 1.0079 0 - 7987 H2O 1991 H2O O1 4 -0.847600 15.9994 0 - 7988 H2O 1991 H2O H1 3 0.423800 1.0079 0 - 7989 H2O 1991 H2O H2 3 0.423800 1.0079 0 - 7990 H2O 1992 H2O O1 4 -0.847600 15.9994 0 - 7991 H2O 1992 H2O H1 3 0.423800 1.0079 0 - 7992 H2O 1992 H2O H2 3 0.423800 1.0079 0 - 7993 H2O 1993 H2O O1 4 -0.847600 15.9994 0 - 7994 H2O 1993 H2O H1 3 0.423800 1.0079 0 - 7995 H2O 1993 H2O H2 3 0.423800 1.0079 0 - 7996 H2O 1994 H2O O1 4 -0.847600 15.9994 0 - 7997 H2O 1994 H2O H1 3 0.423800 1.0079 0 - 7998 H2O 1994 H2O H2 3 0.423800 1.0079 0 - 7999 H2O 1995 H2O O1 4 -0.847600 15.9994 0 - 8000 H2O 1995 H2O H1 3 0.423800 1.0079 0 - 8001 H2O 1995 H2O H2 3 0.423800 1.0079 0 - 8002 H2O 1996 H2O O1 4 -0.847600 15.9994 0 - 8003 H2O 1996 H2O H1 3 0.423800 1.0079 0 - 8004 H2O 1996 H2O H2 3 0.423800 1.0079 0 - 8005 H2O 1997 H2O O1 4 -0.847600 15.9994 0 - 8006 H2O 1997 H2O H1 3 0.423800 1.0079 0 - 8007 H2O 1997 H2O H2 3 0.423800 1.0079 0 - 8008 H2O 1998 H2O O1 4 -0.847600 15.9994 0 - 8009 H2O 1998 H2O H1 3 0.423800 1.0079 0 - 8010 H2O 1998 H2O H2 3 0.423800 1.0079 0 - 8011 H2O 1999 H2O O1 4 -0.847600 15.9994 0 - 8012 H2O 1999 H2O H1 3 0.423800 1.0079 0 - 8013 H2O 1999 H2O H2 3 0.423800 1.0079 0 - 8014 H2O 2000 H2O O1 4 -0.847600 15.9994 0 - 8015 H2O 2000 H2O H1 3 0.423800 1.0079 0 - 8016 H2O 2000 H2O H2 3 0.423800 1.0079 0 - 8017 H2O 2001 H2O O1 4 -0.847600 15.9994 0 - 8018 H2O 2001 H2O H1 3 0.423800 1.0079 0 - 8019 H2O 2001 H2O H2 3 0.423800 1.0079 0 - 8020 H2O 2002 H2O O1 4 -0.847600 15.9994 0 - 8021 H2O 2002 H2O H1 3 0.423800 1.0079 0 - 8022 H2O 2002 H2O H2 3 0.423800 1.0079 0 - 8023 H2O 2003 H2O O1 4 -0.847600 15.9994 0 - 8024 H2O 2003 H2O H1 3 0.423800 1.0079 0 - 8025 H2O 2003 H2O H2 3 0.423800 1.0079 0 - 8026 H2O 2004 H2O O1 4 -0.847600 15.9994 0 - 8027 H2O 2004 H2O H1 3 0.423800 1.0079 0 - 8028 H2O 2004 H2O H2 3 0.423800 1.0079 0 - 8029 H2O 2005 H2O O1 4 -0.847600 15.9994 0 - 8030 H2O 2005 H2O H1 3 0.423800 1.0079 0 - 8031 H2O 2005 H2O H2 3 0.423800 1.0079 0 - 8032 H2O 2006 H2O O1 4 -0.847600 15.9994 0 - 8033 H2O 2006 H2O H1 3 0.423800 1.0079 0 - 8034 H2O 2006 H2O H2 3 0.423800 1.0079 0 - 8035 H2O 2007 H2O O1 4 -0.847600 15.9994 0 - 8036 H2O 2007 H2O H1 3 0.423800 1.0079 0 - 8037 H2O 2007 H2O H2 3 0.423800 1.0079 0 - 8038 H2O 2008 H2O O1 4 -0.847600 15.9994 0 - 8039 H2O 2008 H2O H1 3 0.423800 1.0079 0 - 8040 H2O 2008 H2O H2 3 0.423800 1.0079 0 - 8041 H2O 2009 H2O O1 4 -0.847600 15.9994 0 - 8042 H2O 2009 H2O H1 3 0.423800 1.0079 0 - 8043 H2O 2009 H2O H2 3 0.423800 1.0079 0 - 8044 H2O 2010 H2O O1 4 -0.847600 15.9994 0 - 8045 H2O 2010 H2O H1 3 0.423800 1.0079 0 - 8046 H2O 2010 H2O H2 3 0.423800 1.0079 0 - 8047 H2O 2011 H2O O1 4 -0.847600 15.9994 0 - 8048 H2O 2011 H2O H1 3 0.423800 1.0079 0 - 8049 H2O 2011 H2O H2 3 0.423800 1.0079 0 - 8050 H2O 2012 H2O O1 4 -0.847600 15.9994 0 - 8051 H2O 2012 H2O H1 3 0.423800 1.0079 0 - 8052 H2O 2012 H2O H2 3 0.423800 1.0079 0 - 8053 H2O 2013 H2O O1 4 -0.847600 15.9994 0 - 8054 H2O 2013 H2O H1 3 0.423800 1.0079 0 - 8055 H2O 2013 H2O H2 3 0.423800 1.0079 0 - 8056 H2O 2014 H2O O1 4 -0.847600 15.9994 0 - 8057 H2O 2014 H2O H1 3 0.423800 1.0079 0 - 8058 H2O 2014 H2O H2 3 0.423800 1.0079 0 - 8059 H2O 2015 H2O O1 4 -0.847600 15.9994 0 - 8060 H2O 2015 H2O H1 3 0.423800 1.0079 0 - 8061 H2O 2015 H2O H2 3 0.423800 1.0079 0 - 8062 H2O 2016 H2O O1 4 -0.847600 15.9994 0 - 8063 H2O 2016 H2O H1 3 0.423800 1.0079 0 - 8064 H2O 2016 H2O H2 3 0.423800 1.0079 0 - 8065 H2O 2017 H2O O1 4 -0.847600 15.9994 0 - 8066 H2O 2017 H2O H1 3 0.423800 1.0079 0 - 8067 H2O 2017 H2O H2 3 0.423800 1.0079 0 - 8068 H2O 2018 H2O O1 4 -0.847600 15.9994 0 - 8069 H2O 2018 H2O H1 3 0.423800 1.0079 0 - 8070 H2O 2018 H2O H2 3 0.423800 1.0079 0 - 8071 H2O 2019 H2O O1 4 -0.847600 15.9994 0 - 8072 H2O 2019 H2O H1 3 0.423800 1.0079 0 - 8073 H2O 2019 H2O H2 3 0.423800 1.0079 0 - 8074 H2O 2020 H2O O1 4 -0.847600 15.9994 0 - 8075 H2O 2020 H2O H1 3 0.423800 1.0079 0 - 8076 H2O 2020 H2O H2 3 0.423800 1.0079 0 - 8077 H2O 2021 H2O O1 4 -0.847600 15.9994 0 - 8078 H2O 2021 H2O H1 3 0.423800 1.0079 0 - 8079 H2O 2021 H2O H2 3 0.423800 1.0079 0 - 8080 H2O 2022 H2O O1 4 -0.847600 15.9994 0 - 8081 H2O 2022 H2O H1 3 0.423800 1.0079 0 - 8082 H2O 2022 H2O H2 3 0.423800 1.0079 0 - 8083 H2O 2023 H2O O1 4 -0.847600 15.9994 0 - 8084 H2O 2023 H2O H1 3 0.423800 1.0079 0 - 8085 H2O 2023 H2O H2 3 0.423800 1.0079 0 - 8086 H2O 2024 H2O O1 4 -0.847600 15.9994 0 - 8087 H2O 2024 H2O H1 3 0.423800 1.0079 0 - 8088 H2O 2024 H2O H2 3 0.423800 1.0079 0 - 8089 H2O 2025 H2O O1 4 -0.847600 15.9994 0 - 8090 H2O 2025 H2O H1 3 0.423800 1.0079 0 - 8091 H2O 2025 H2O H2 3 0.423800 1.0079 0 - 8092 H2O 2026 H2O O1 4 -0.847600 15.9994 0 - 8093 H2O 2026 H2O H1 3 0.423800 1.0079 0 - 8094 H2O 2026 H2O H2 3 0.423800 1.0079 0 - 8095 H2O 2027 H2O O1 4 -0.847600 15.9994 0 - 8096 H2O 2027 H2O H1 3 0.423800 1.0079 0 - 8097 H2O 2027 H2O H2 3 0.423800 1.0079 0 - 8098 H2O 2028 H2O O1 4 -0.847600 15.9994 0 - 8099 H2O 2028 H2O H1 3 0.423800 1.0079 0 - 8100 H2O 2028 H2O H2 3 0.423800 1.0079 0 - 8101 H2O 2029 H2O O1 4 -0.847600 15.9994 0 - 8102 H2O 2029 H2O H1 3 0.423800 1.0079 0 - 8103 H2O 2029 H2O H2 3 0.423800 1.0079 0 - 8104 H2O 2030 H2O O1 4 -0.847600 15.9994 0 - 8105 H2O 2030 H2O H1 3 0.423800 1.0079 0 - 8106 H2O 2030 H2O H2 3 0.423800 1.0079 0 - 8107 H2O 2031 H2O O1 4 -0.847600 15.9994 0 - 8108 H2O 2031 H2O H1 3 0.423800 1.0079 0 - 8109 H2O 2031 H2O H2 3 0.423800 1.0079 0 - 8110 H2O 2032 H2O O1 4 -0.847600 15.9994 0 - 8111 H2O 2032 H2O H1 3 0.423800 1.0079 0 - 8112 H2O 2032 H2O H2 3 0.423800 1.0079 0 - 8113 H2O 2033 H2O O1 4 -0.847600 15.9994 0 - 8114 H2O 2033 H2O H1 3 0.423800 1.0079 0 - 8115 H2O 2033 H2O H2 3 0.423800 1.0079 0 - 8116 H2O 2034 H2O O1 4 -0.847600 15.9994 0 - 8117 H2O 2034 H2O H1 3 0.423800 1.0079 0 - 8118 H2O 2034 H2O H2 3 0.423800 1.0079 0 - 8119 H2O 2035 H2O O1 4 -0.847600 15.9994 0 - 8120 H2O 2035 H2O H1 3 0.423800 1.0079 0 - 8121 H2O 2035 H2O H2 3 0.423800 1.0079 0 - 8122 H2O 2036 H2O O1 4 -0.847600 15.9994 0 - 8123 H2O 2036 H2O H1 3 0.423800 1.0079 0 - 8124 H2O 2036 H2O H2 3 0.423800 1.0079 0 - 8125 H2O 2037 H2O O1 4 -0.847600 15.9994 0 - 8126 H2O 2037 H2O H1 3 0.423800 1.0079 0 - 8127 H2O 2037 H2O H2 3 0.423800 1.0079 0 - 8128 H2O 2038 H2O O1 4 -0.847600 15.9994 0 - 8129 H2O 2038 H2O H1 3 0.423800 1.0079 0 - 8130 H2O 2038 H2O H2 3 0.423800 1.0079 0 - 8131 H2O 2039 H2O O1 4 -0.847600 15.9994 0 - 8132 H2O 2039 H2O H1 3 0.423800 1.0079 0 - 8133 H2O 2039 H2O H2 3 0.423800 1.0079 0 - 8134 H2O 2040 H2O O1 4 -0.847600 15.9994 0 - 8135 H2O 2040 H2O H1 3 0.423800 1.0079 0 - 8136 H2O 2040 H2O H2 3 0.423800 1.0079 0 - 8137 H2O 2041 H2O O1 4 -0.847600 15.9994 0 - 8138 H2O 2041 H2O H1 3 0.423800 1.0079 0 - 8139 H2O 2041 H2O H2 3 0.423800 1.0079 0 - 8140 H2O 2042 H2O O1 4 -0.847600 15.9994 0 - 8141 H2O 2042 H2O H1 3 0.423800 1.0079 0 - 8142 H2O 2042 H2O H2 3 0.423800 1.0079 0 - 8143 H2O 2043 H2O O1 4 -0.847600 15.9994 0 - 8144 H2O 2043 H2O H1 3 0.423800 1.0079 0 - 8145 H2O 2043 H2O H2 3 0.423800 1.0079 0 - 8146 H2O 2044 H2O O1 4 -0.847600 15.9994 0 - 8147 H2O 2044 H2O H1 3 0.423800 1.0079 0 - 8148 H2O 2044 H2O H2 3 0.423800 1.0079 0 - 8149 H2O 2045 H2O O1 4 -0.847600 15.9994 0 - 8150 H2O 2045 H2O H1 3 0.423800 1.0079 0 - 8151 H2O 2045 H2O H2 3 0.423800 1.0079 0 - 8152 H2O 2046 H2O O1 4 -0.847600 15.9994 0 - 8153 H2O 2046 H2O H1 3 0.423800 1.0079 0 - 8154 H2O 2046 H2O H2 3 0.423800 1.0079 0 - 8155 H2O 2047 H2O O1 4 -0.847600 15.9994 0 - 8156 H2O 2047 H2O H1 3 0.423800 1.0079 0 - 8157 H2O 2047 H2O H2 3 0.423800 1.0079 0 - 8158 H2O 2048 H2O O1 4 -0.847600 15.9994 0 - 8159 H2O 2048 H2O H1 3 0.423800 1.0079 0 - 8160 H2O 2048 H2O H2 3 0.423800 1.0079 0 - 8161 H2O 2049 H2O O1 4 -0.847600 15.9994 0 - 8162 H2O 2049 H2O H1 3 0.423800 1.0079 0 - 8163 H2O 2049 H2O H2 3 0.423800 1.0079 0 - 8164 H2O 2050 H2O O1 4 -0.847600 15.9994 0 - 8165 H2O 2050 H2O H1 3 0.423800 1.0079 0 - 8166 H2O 2050 H2O H2 3 0.423800 1.0079 0 - 8167 H2O 2051 H2O O1 4 -0.847600 15.9994 0 - 8168 H2O 2051 H2O H1 3 0.423800 1.0079 0 - 8169 H2O 2051 H2O H2 3 0.423800 1.0079 0 - 8170 H2O 2052 H2O O1 4 -0.847600 15.9994 0 - 8171 H2O 2052 H2O H1 3 0.423800 1.0079 0 - 8172 H2O 2052 H2O H2 3 0.423800 1.0079 0 - 8173 H2O 2053 H2O O1 4 -0.847600 15.9994 0 - 8174 H2O 2053 H2O H1 3 0.423800 1.0079 0 - 8175 H2O 2053 H2O H2 3 0.423800 1.0079 0 - 8176 H2O 2054 H2O O1 4 -0.847600 15.9994 0 - 8177 H2O 2054 H2O H1 3 0.423800 1.0079 0 - 8178 H2O 2054 H2O H2 3 0.423800 1.0079 0 - 8179 H2O 2055 H2O O1 4 -0.847600 15.9994 0 - 8180 H2O 2055 H2O H1 3 0.423800 1.0079 0 - 8181 H2O 2055 H2O H2 3 0.423800 1.0079 0 - 8182 H2O 2056 H2O O1 4 -0.847600 15.9994 0 - 8183 H2O 2056 H2O H1 3 0.423800 1.0079 0 - 8184 H2O 2056 H2O H2 3 0.423800 1.0079 0 - 8185 H2O 2057 H2O O1 4 -0.847600 15.9994 0 - 8186 H2O 2057 H2O H1 3 0.423800 1.0079 0 - 8187 H2O 2057 H2O H2 3 0.423800 1.0079 0 - 8188 H2O 2058 H2O O1 4 -0.847600 15.9994 0 - 8189 H2O 2058 H2O H1 3 0.423800 1.0079 0 - 8190 H2O 2058 H2O H2 3 0.423800 1.0079 0 - 8191 H2O 2059 H2O O1 4 -0.847600 15.9994 0 - 8192 H2O 2059 H2O H1 3 0.423800 1.0079 0 - 8193 H2O 2059 H2O H2 3 0.423800 1.0079 0 - 8194 H2O 2060 H2O O1 4 -0.847600 15.9994 0 - 8195 H2O 2060 H2O H1 3 0.423800 1.0079 0 - 8196 H2O 2060 H2O H2 3 0.423800 1.0079 0 - 8197 H2O 2061 H2O O1 4 -0.847600 15.9994 0 - 8198 H2O 2061 H2O H1 3 0.423800 1.0079 0 - 8199 H2O 2061 H2O H2 3 0.423800 1.0079 0 - 8200 H2O 2062 H2O O1 4 -0.847600 15.9994 0 - 8201 H2O 2062 H2O H1 3 0.423800 1.0079 0 - 8202 H2O 2062 H2O H2 3 0.423800 1.0079 0 - 8203 H2O 2063 H2O O1 4 -0.847600 15.9994 0 - 8204 H2O 2063 H2O H1 3 0.423800 1.0079 0 - 8205 H2O 2063 H2O H2 3 0.423800 1.0079 0 - 8206 H2O 2064 H2O O1 4 -0.847600 15.9994 0 - 8207 H2O 2064 H2O H1 3 0.423800 1.0079 0 - 8208 H2O 2064 H2O H2 3 0.423800 1.0079 0 - 8209 H2O 2065 H2O O1 4 -0.847600 15.9994 0 - 8210 H2O 2065 H2O H1 3 0.423800 1.0079 0 - 8211 H2O 2065 H2O H2 3 0.423800 1.0079 0 - 8212 H2O 2066 H2O O1 4 -0.847600 15.9994 0 - 8213 H2O 2066 H2O H1 3 0.423800 1.0079 0 - 8214 H2O 2066 H2O H2 3 0.423800 1.0079 0 - 8215 H2O 2067 H2O O1 4 -0.847600 15.9994 0 - 8216 H2O 2067 H2O H1 3 0.423800 1.0079 0 - 8217 H2O 2067 H2O H2 3 0.423800 1.0079 0 - 8218 H2O 2068 H2O O1 4 -0.847600 15.9994 0 - 8219 H2O 2068 H2O H1 3 0.423800 1.0079 0 - 8220 H2O 2068 H2O H2 3 0.423800 1.0079 0 - 8221 H2O 2069 H2O O1 4 -0.847600 15.9994 0 - 8222 H2O 2069 H2O H1 3 0.423800 1.0079 0 - 8223 H2O 2069 H2O H2 3 0.423800 1.0079 0 - 8224 H2O 2070 H2O O1 4 -0.847600 15.9994 0 - 8225 H2O 2070 H2O H1 3 0.423800 1.0079 0 - 8226 H2O 2070 H2O H2 3 0.423800 1.0079 0 - 8227 H2O 2071 H2O O1 4 -0.847600 15.9994 0 - 8228 H2O 2071 H2O H1 3 0.423800 1.0079 0 - 8229 H2O 2071 H2O H2 3 0.423800 1.0079 0 - 8230 H2O 2072 H2O O1 4 -0.847600 15.9994 0 - 8231 H2O 2072 H2O H1 3 0.423800 1.0079 0 - 8232 H2O 2072 H2O H2 3 0.423800 1.0079 0 - 8233 H2O 2073 H2O O1 4 -0.847600 15.9994 0 - 8234 H2O 2073 H2O H1 3 0.423800 1.0079 0 - 8235 H2O 2073 H2O H2 3 0.423800 1.0079 0 - 8236 H2O 2074 H2O O1 4 -0.847600 15.9994 0 - 8237 H2O 2074 H2O H1 3 0.423800 1.0079 0 - 8238 H2O 2074 H2O H2 3 0.423800 1.0079 0 - 8239 H2O 2075 H2O O1 4 -0.847600 15.9994 0 - 8240 H2O 2075 H2O H1 3 0.423800 1.0079 0 - 8241 H2O 2075 H2O H2 3 0.423800 1.0079 0 - 8242 H2O 2076 H2O O1 4 -0.847600 15.9994 0 - 8243 H2O 2076 H2O H1 3 0.423800 1.0079 0 - 8244 H2O 2076 H2O H2 3 0.423800 1.0079 0 - 8245 H2O 2077 H2O O1 4 -0.847600 15.9994 0 - 8246 H2O 2077 H2O H1 3 0.423800 1.0079 0 - 8247 H2O 2077 H2O H2 3 0.423800 1.0079 0 - 8248 H2O 2078 H2O O1 4 -0.847600 15.9994 0 - 8249 H2O 2078 H2O H1 3 0.423800 1.0079 0 - 8250 H2O 2078 H2O H2 3 0.423800 1.0079 0 - 8251 H2O 2079 H2O O1 4 -0.847600 15.9994 0 - 8252 H2O 2079 H2O H1 3 0.423800 1.0079 0 - 8253 H2O 2079 H2O H2 3 0.423800 1.0079 0 - 8254 H2O 2080 H2O O1 4 -0.847600 15.9994 0 - 8255 H2O 2080 H2O H1 3 0.423800 1.0079 0 - 8256 H2O 2080 H2O H2 3 0.423800 1.0079 0 - 8257 H2O 2081 H2O O1 4 -0.847600 15.9994 0 - 8258 H2O 2081 H2O H1 3 0.423800 1.0079 0 - 8259 H2O 2081 H2O H2 3 0.423800 1.0079 0 - 8260 H2O 2082 H2O O1 4 -0.847600 15.9994 0 - 8261 H2O 2082 H2O H1 3 0.423800 1.0079 0 - 8262 H2O 2082 H2O H2 3 0.423800 1.0079 0 - 8263 H2O 2083 H2O O1 4 -0.847600 15.9994 0 - 8264 H2O 2083 H2O H1 3 0.423800 1.0079 0 - 8265 H2O 2083 H2O H2 3 0.423800 1.0079 0 - 8266 H2O 2084 H2O O1 4 -0.847600 15.9994 0 - 8267 H2O 2084 H2O H1 3 0.423800 1.0079 0 - 8268 H2O 2084 H2O H2 3 0.423800 1.0079 0 - 8269 H2O 2085 H2O O1 4 -0.847600 15.9994 0 - 8270 H2O 2085 H2O H1 3 0.423800 1.0079 0 - 8271 H2O 2085 H2O H2 3 0.423800 1.0079 0 - 8272 H2O 2086 H2O O1 4 -0.847600 15.9994 0 - 8273 H2O 2086 H2O H1 3 0.423800 1.0079 0 - 8274 H2O 2086 H2O H2 3 0.423800 1.0079 0 - 8275 H2O 2087 H2O O1 4 -0.847600 15.9994 0 - 8276 H2O 2087 H2O H1 3 0.423800 1.0079 0 - 8277 H2O 2087 H2O H2 3 0.423800 1.0079 0 - 8278 H2O 2088 H2O O1 4 -0.847600 15.9994 0 - 8279 H2O 2088 H2O H1 3 0.423800 1.0079 0 - 8280 H2O 2088 H2O H2 3 0.423800 1.0079 0 - 8281 H2O 2089 H2O O1 4 -0.847600 15.9994 0 - 8282 H2O 2089 H2O H1 3 0.423800 1.0079 0 - 8283 H2O 2089 H2O H2 3 0.423800 1.0079 0 - 8284 H2O 2090 H2O O1 4 -0.847600 15.9994 0 - 8285 H2O 2090 H2O H1 3 0.423800 1.0079 0 - 8286 H2O 2090 H2O H2 3 0.423800 1.0079 0 - 8287 H2O 2091 H2O O1 4 -0.847600 15.9994 0 - 8288 H2O 2091 H2O H1 3 0.423800 1.0079 0 - 8289 H2O 2091 H2O H2 3 0.423800 1.0079 0 - 8290 H2O 2092 H2O O1 4 -0.847600 15.9994 0 - 8291 H2O 2092 H2O H1 3 0.423800 1.0079 0 - 8292 H2O 2092 H2O H2 3 0.423800 1.0079 0 - 8293 H2O 2093 H2O O1 4 -0.847600 15.9994 0 - 8294 H2O 2093 H2O H1 3 0.423800 1.0079 0 - 8295 H2O 2093 H2O H2 3 0.423800 1.0079 0 - 8296 H2O 2094 H2O O1 4 -0.847600 15.9994 0 - 8297 H2O 2094 H2O H1 3 0.423800 1.0079 0 - 8298 H2O 2094 H2O H2 3 0.423800 1.0079 0 - 8299 H2O 2095 H2O O1 4 -0.847600 15.9994 0 - 8300 H2O 2095 H2O H1 3 0.423800 1.0079 0 - 8301 H2O 2095 H2O H2 3 0.423800 1.0079 0 - 8302 H2O 2096 H2O O1 4 -0.847600 15.9994 0 - 8303 H2O 2096 H2O H1 3 0.423800 1.0079 0 - 8304 H2O 2096 H2O H2 3 0.423800 1.0079 0 - 8305 H2O 2097 H2O O1 4 -0.847600 15.9994 0 - 8306 H2O 2097 H2O H1 3 0.423800 1.0079 0 - 8307 H2O 2097 H2O H2 3 0.423800 1.0079 0 - 8308 H2O 2098 H2O O1 4 -0.847600 15.9994 0 - 8309 H2O 2098 H2O H1 3 0.423800 1.0079 0 - 8310 H2O 2098 H2O H2 3 0.423800 1.0079 0 - 8311 H2O 2099 H2O O1 4 -0.847600 15.9994 0 - 8312 H2O 2099 H2O H1 3 0.423800 1.0079 0 - 8313 H2O 2099 H2O H2 3 0.423800 1.0079 0 - 8314 H2O 2100 H2O O1 4 -0.847600 15.9994 0 - 8315 H2O 2100 H2O H1 3 0.423800 1.0079 0 - 8316 H2O 2100 H2O H2 3 0.423800 1.0079 0 - 8317 H2O 2101 H2O O1 4 -0.847600 15.9994 0 - 8318 H2O 2101 H2O H1 3 0.423800 1.0079 0 - 8319 H2O 2101 H2O H2 3 0.423800 1.0079 0 - 8320 H2O 2102 H2O O1 4 -0.847600 15.9994 0 - 8321 H2O 2102 H2O H1 3 0.423800 1.0079 0 - 8322 H2O 2102 H2O H2 3 0.423800 1.0079 0 - 8323 H2O 2103 H2O O1 4 -0.847600 15.9994 0 - 8324 H2O 2103 H2O H1 3 0.423800 1.0079 0 - 8325 H2O 2103 H2O H2 3 0.423800 1.0079 0 - 8326 H2O 2104 H2O O1 4 -0.847600 15.9994 0 - 8327 H2O 2104 H2O H1 3 0.423800 1.0079 0 - 8328 H2O 2104 H2O H2 3 0.423800 1.0079 0 - 8329 H2O 2105 H2O O1 4 -0.847600 15.9994 0 - 8330 H2O 2105 H2O H1 3 0.423800 1.0079 0 - 8331 H2O 2105 H2O H2 3 0.423800 1.0079 0 - 8332 H2O 2106 H2O O1 4 -0.847600 15.9994 0 - 8333 H2O 2106 H2O H1 3 0.423800 1.0079 0 - 8334 H2O 2106 H2O H2 3 0.423800 1.0079 0 - 8335 H2O 2107 H2O O1 4 -0.847600 15.9994 0 - 8336 H2O 2107 H2O H1 3 0.423800 1.0079 0 - 8337 H2O 2107 H2O H2 3 0.423800 1.0079 0 - 8338 H2O 2108 H2O O1 4 -0.847600 15.9994 0 - 8339 H2O 2108 H2O H1 3 0.423800 1.0079 0 - 8340 H2O 2108 H2O H2 3 0.423800 1.0079 0 - 8341 H2O 2109 H2O O1 4 -0.847600 15.9994 0 - 8342 H2O 2109 H2O H1 3 0.423800 1.0079 0 - 8343 H2O 2109 H2O H2 3 0.423800 1.0079 0 - 8344 H2O 2110 H2O O1 4 -0.847600 15.9994 0 - 8345 H2O 2110 H2O H1 3 0.423800 1.0079 0 - 8346 H2O 2110 H2O H2 3 0.423800 1.0079 0 - 8347 H2O 2111 H2O O1 4 -0.847600 15.9994 0 - 8348 H2O 2111 H2O H1 3 0.423800 1.0079 0 - 8349 H2O 2111 H2O H2 3 0.423800 1.0079 0 - 8350 H2O 2112 H2O O1 4 -0.847600 15.9994 0 - 8351 H2O 2112 H2O H1 3 0.423800 1.0079 0 - 8352 H2O 2112 H2O H2 3 0.423800 1.0079 0 - 8353 H2O 2113 H2O O1 4 -0.847600 15.9994 0 - 8354 H2O 2113 H2O H1 3 0.423800 1.0079 0 - 8355 H2O 2113 H2O H2 3 0.423800 1.0079 0 - 8356 H2O 2114 H2O O1 4 -0.847600 15.9994 0 - 8357 H2O 2114 H2O H1 3 0.423800 1.0079 0 - 8358 H2O 2114 H2O H2 3 0.423800 1.0079 0 - 8359 H2O 2115 H2O O1 4 -0.847600 15.9994 0 - 8360 H2O 2115 H2O H1 3 0.423800 1.0079 0 - 8361 H2O 2115 H2O H2 3 0.423800 1.0079 0 - 8362 H2O 2116 H2O O1 4 -0.847600 15.9994 0 - 8363 H2O 2116 H2O H1 3 0.423800 1.0079 0 - 8364 H2O 2116 H2O H2 3 0.423800 1.0079 0 - 8365 H2O 2117 H2O O1 4 -0.847600 15.9994 0 - 8366 H2O 2117 H2O H1 3 0.423800 1.0079 0 - 8367 H2O 2117 H2O H2 3 0.423800 1.0079 0 - 8368 H2O 2118 H2O O1 4 -0.847600 15.9994 0 - 8369 H2O 2118 H2O H1 3 0.423800 1.0079 0 - 8370 H2O 2118 H2O H2 3 0.423800 1.0079 0 - 8371 H2O 2119 H2O O1 4 -0.847600 15.9994 0 - 8372 H2O 2119 H2O H1 3 0.423800 1.0079 0 - 8373 H2O 2119 H2O H2 3 0.423800 1.0079 0 - 8374 H2O 2120 H2O O1 4 -0.847600 15.9994 0 - 8375 H2O 2120 H2O H1 3 0.423800 1.0079 0 - 8376 H2O 2120 H2O H2 3 0.423800 1.0079 0 - 8377 H2O 2121 H2O O1 4 -0.847600 15.9994 0 - 8378 H2O 2121 H2O H1 3 0.423800 1.0079 0 - 8379 H2O 2121 H2O H2 3 0.423800 1.0079 0 - 8380 H2O 2122 H2O O1 4 -0.847600 15.9994 0 - 8381 H2O 2122 H2O H1 3 0.423800 1.0079 0 - 8382 H2O 2122 H2O H2 3 0.423800 1.0079 0 - 8383 H2O 2123 H2O O1 4 -0.847600 15.9994 0 - 8384 H2O 2123 H2O H1 3 0.423800 1.0079 0 - 8385 H2O 2123 H2O H2 3 0.423800 1.0079 0 - 8386 H2O 2124 H2O O1 4 -0.847600 15.9994 0 - 8387 H2O 2124 H2O H1 3 0.423800 1.0079 0 - 8388 H2O 2124 H2O H2 3 0.423800 1.0079 0 - 8389 H2O 2125 H2O O1 4 -0.847600 15.9994 0 - 8390 H2O 2125 H2O H1 3 0.423800 1.0079 0 - 8391 H2O 2125 H2O H2 3 0.423800 1.0079 0 - 8392 H2O 2126 H2O O1 4 -0.847600 15.9994 0 - 8393 H2O 2126 H2O H1 3 0.423800 1.0079 0 - 8394 H2O 2126 H2O H2 3 0.423800 1.0079 0 - 8395 H2O 2127 H2O O1 4 -0.847600 15.9994 0 - 8396 H2O 2127 H2O H1 3 0.423800 1.0079 0 - 8397 H2O 2127 H2O H2 3 0.423800 1.0079 0 - 8398 H2O 2128 H2O O1 4 -0.847600 15.9994 0 - 8399 H2O 2128 H2O H1 3 0.423800 1.0079 0 - 8400 H2O 2128 H2O H2 3 0.423800 1.0079 0 - 8401 H2O 2129 H2O O1 4 -0.847600 15.9994 0 - 8402 H2O 2129 H2O H1 3 0.423800 1.0079 0 - 8403 H2O 2129 H2O H2 3 0.423800 1.0079 0 - 8404 H2O 2130 H2O O1 4 -0.847600 15.9994 0 - 8405 H2O 2130 H2O H1 3 0.423800 1.0079 0 - 8406 H2O 2130 H2O H2 3 0.423800 1.0079 0 - 8407 H2O 2131 H2O O1 4 -0.847600 15.9994 0 - 8408 H2O 2131 H2O H1 3 0.423800 1.0079 0 - 8409 H2O 2131 H2O H2 3 0.423800 1.0079 0 - 8410 H2O 2132 H2O O1 4 -0.847600 15.9994 0 - 8411 H2O 2132 H2O H1 3 0.423800 1.0079 0 - 8412 H2O 2132 H2O H2 3 0.423800 1.0079 0 - 8413 H2O 2133 H2O O1 4 -0.847600 15.9994 0 - 8414 H2O 2133 H2O H1 3 0.423800 1.0079 0 - 8415 H2O 2133 H2O H2 3 0.423800 1.0079 0 - 8416 H2O 2134 H2O O1 4 -0.847600 15.9994 0 - 8417 H2O 2134 H2O H1 3 0.423800 1.0079 0 - 8418 H2O 2134 H2O H2 3 0.423800 1.0079 0 - 8419 H2O 2135 H2O O1 4 -0.847600 15.9994 0 - 8420 H2O 2135 H2O H1 3 0.423800 1.0079 0 - 8421 H2O 2135 H2O H2 3 0.423800 1.0079 0 - 8422 H2O 2136 H2O O1 4 -0.847600 15.9994 0 - 8423 H2O 2136 H2O H1 3 0.423800 1.0079 0 - 8424 H2O 2136 H2O H2 3 0.423800 1.0079 0 - 8425 H2O 2137 H2O O1 4 -0.847600 15.9994 0 - 8426 H2O 2137 H2O H1 3 0.423800 1.0079 0 - 8427 H2O 2137 H2O H2 3 0.423800 1.0079 0 - 8428 H2O 2138 H2O O1 4 -0.847600 15.9994 0 - 8429 H2O 2138 H2O H1 3 0.423800 1.0079 0 - 8430 H2O 2138 H2O H2 3 0.423800 1.0079 0 - 8431 H2O 2139 H2O O1 4 -0.847600 15.9994 0 - 8432 H2O 2139 H2O H1 3 0.423800 1.0079 0 - 8433 H2O 2139 H2O H2 3 0.423800 1.0079 0 - 8434 H2O 2140 H2O O1 4 -0.847600 15.9994 0 - 8435 H2O 2140 H2O H1 3 0.423800 1.0079 0 - 8436 H2O 2140 H2O H2 3 0.423800 1.0079 0 - 8437 H2O 2141 H2O O1 4 -0.847600 15.9994 0 - 8438 H2O 2141 H2O H1 3 0.423800 1.0079 0 - 8439 H2O 2141 H2O H2 3 0.423800 1.0079 0 - 8440 H2O 2142 H2O O1 4 -0.847600 15.9994 0 - 8441 H2O 2142 H2O H1 3 0.423800 1.0079 0 - 8442 H2O 2142 H2O H2 3 0.423800 1.0079 0 - 8443 H2O 2143 H2O O1 4 -0.847600 15.9994 0 - 8444 H2O 2143 H2O H1 3 0.423800 1.0079 0 - 8445 H2O 2143 H2O H2 3 0.423800 1.0079 0 - 8446 H2O 2144 H2O O1 4 -0.847600 15.9994 0 - 8447 H2O 2144 H2O H1 3 0.423800 1.0079 0 - 8448 H2O 2144 H2O H2 3 0.423800 1.0079 0 - 8449 H2O 2145 H2O O1 4 -0.847600 15.9994 0 - 8450 H2O 2145 H2O H1 3 0.423800 1.0079 0 - 8451 H2O 2145 H2O H2 3 0.423800 1.0079 0 - 8452 H2O 2146 H2O O1 4 -0.847600 15.9994 0 - 8453 H2O 2146 H2O H1 3 0.423800 1.0079 0 - 8454 H2O 2146 H2O H2 3 0.423800 1.0079 0 - 8455 H2O 2147 H2O O1 4 -0.847600 15.9994 0 - 8456 H2O 2147 H2O H1 3 0.423800 1.0079 0 - 8457 H2O 2147 H2O H2 3 0.423800 1.0079 0 - 8458 H2O 2148 H2O O1 4 -0.847600 15.9994 0 - 8459 H2O 2148 H2O H1 3 0.423800 1.0079 0 - 8460 H2O 2148 H2O H2 3 0.423800 1.0079 0 - 8461 H2O 2149 H2O O1 4 -0.847600 15.9994 0 - 8462 H2O 2149 H2O H1 3 0.423800 1.0079 0 - 8463 H2O 2149 H2O H2 3 0.423800 1.0079 0 - 8464 H2O 2150 H2O O1 4 -0.847600 15.9994 0 - 8465 H2O 2150 H2O H1 3 0.423800 1.0079 0 - 8466 H2O 2150 H2O H2 3 0.423800 1.0079 0 - 8467 H2O 2151 H2O O1 4 -0.847600 15.9994 0 - 8468 H2O 2151 H2O H1 3 0.423800 1.0079 0 - 8469 H2O 2151 H2O H2 3 0.423800 1.0079 0 - 8470 H2O 2152 H2O O1 4 -0.847600 15.9994 0 - 8471 H2O 2152 H2O H1 3 0.423800 1.0079 0 - 8472 H2O 2152 H2O H2 3 0.423800 1.0079 0 - 8473 H2O 2153 H2O O1 4 -0.847600 15.9994 0 - 8474 H2O 2153 H2O H1 3 0.423800 1.0079 0 - 8475 H2O 2153 H2O H2 3 0.423800 1.0079 0 - 8476 H2O 2154 H2O O1 4 -0.847600 15.9994 0 - 8477 H2O 2154 H2O H1 3 0.423800 1.0079 0 - 8478 H2O 2154 H2O H2 3 0.423800 1.0079 0 - 8479 H2O 2155 H2O O1 4 -0.847600 15.9994 0 - 8480 H2O 2155 H2O H1 3 0.423800 1.0079 0 - 8481 H2O 2155 H2O H2 3 0.423800 1.0079 0 - 8482 H2O 2156 H2O O1 4 -0.847600 15.9994 0 - 8483 H2O 2156 H2O H1 3 0.423800 1.0079 0 - 8484 H2O 2156 H2O H2 3 0.423800 1.0079 0 - 8485 H2O 2157 H2O O1 4 -0.847600 15.9994 0 - 8486 H2O 2157 H2O H1 3 0.423800 1.0079 0 - 8487 H2O 2157 H2O H2 3 0.423800 1.0079 0 - 8488 H2O 2158 H2O O1 4 -0.847600 15.9994 0 - 8489 H2O 2158 H2O H1 3 0.423800 1.0079 0 - 8490 H2O 2158 H2O H2 3 0.423800 1.0079 0 - 8491 H2O 2159 H2O O1 4 -0.847600 15.9994 0 - 8492 H2O 2159 H2O H1 3 0.423800 1.0079 0 - 8493 H2O 2159 H2O H2 3 0.423800 1.0079 0 - 8494 H2O 2160 H2O O1 4 -0.847600 15.9994 0 - 8495 H2O 2160 H2O H1 3 0.423800 1.0079 0 - 8496 H2O 2160 H2O H2 3 0.423800 1.0079 0 - 8497 H2O 2161 H2O O1 4 -0.847600 15.9994 0 - 8498 H2O 2161 H2O H1 3 0.423800 1.0079 0 - 8499 H2O 2161 H2O H2 3 0.423800 1.0079 0 - 8500 H2O 2162 H2O O1 4 -0.847600 15.9994 0 - 8501 H2O 2162 H2O H1 3 0.423800 1.0079 0 - 8502 H2O 2162 H2O H2 3 0.423800 1.0079 0 - 8503 H2O 2163 H2O O1 4 -0.847600 15.9994 0 - 8504 H2O 2163 H2O H1 3 0.423800 1.0079 0 - 8505 H2O 2163 H2O H2 3 0.423800 1.0079 0 - 8506 H2O 2164 H2O O1 4 -0.847600 15.9994 0 - 8507 H2O 2164 H2O H1 3 0.423800 1.0079 0 - 8508 H2O 2164 H2O H2 3 0.423800 1.0079 0 - 8509 H2O 2165 H2O O1 4 -0.847600 15.9994 0 - 8510 H2O 2165 H2O H1 3 0.423800 1.0079 0 - 8511 H2O 2165 H2O H2 3 0.423800 1.0079 0 - 8512 H2O 2166 H2O O1 4 -0.847600 15.9994 0 - 8513 H2O 2166 H2O H1 3 0.423800 1.0079 0 - 8514 H2O 2166 H2O H2 3 0.423800 1.0079 0 - 8515 H2O 2167 H2O O1 4 -0.847600 15.9994 0 - 8516 H2O 2167 H2O H1 3 0.423800 1.0079 0 - 8517 H2O 2167 H2O H2 3 0.423800 1.0079 0 - 8518 H2O 2168 H2O O1 4 -0.847600 15.9994 0 - 8519 H2O 2168 H2O H1 3 0.423800 1.0079 0 - 8520 H2O 2168 H2O H2 3 0.423800 1.0079 0 - 8521 H2O 2169 H2O O1 4 -0.847600 15.9994 0 - 8522 H2O 2169 H2O H1 3 0.423800 1.0079 0 - 8523 H2O 2169 H2O H2 3 0.423800 1.0079 0 - 8524 H2O 2170 H2O O1 4 -0.847600 15.9994 0 - 8525 H2O 2170 H2O H1 3 0.423800 1.0079 0 - 8526 H2O 2170 H2O H2 3 0.423800 1.0079 0 - 8527 H2O 2171 H2O O1 4 -0.847600 15.9994 0 - 8528 H2O 2171 H2O H1 3 0.423800 1.0079 0 - 8529 H2O 2171 H2O H2 3 0.423800 1.0079 0 - 8530 H2O 2172 H2O O1 4 -0.847600 15.9994 0 - 8531 H2O 2172 H2O H1 3 0.423800 1.0079 0 - 8532 H2O 2172 H2O H2 3 0.423800 1.0079 0 - 8533 H2O 2173 H2O O1 4 -0.847600 15.9994 0 - 8534 H2O 2173 H2O H1 3 0.423800 1.0079 0 - 8535 H2O 2173 H2O H2 3 0.423800 1.0079 0 - 8536 H2O 2174 H2O O1 4 -0.847600 15.9994 0 - 8537 H2O 2174 H2O H1 3 0.423800 1.0079 0 - 8538 H2O 2174 H2O H2 3 0.423800 1.0079 0 - 8539 H2O 2175 H2O O1 4 -0.847600 15.9994 0 - 8540 H2O 2175 H2O H1 3 0.423800 1.0079 0 - 8541 H2O 2175 H2O H2 3 0.423800 1.0079 0 - 8542 H2O 2176 H2O O1 4 -0.847600 15.9994 0 - 8543 H2O 2176 H2O H1 3 0.423800 1.0079 0 - 8544 H2O 2176 H2O H2 3 0.423800 1.0079 0 - 8545 H2O 2177 H2O O1 4 -0.847600 15.9994 0 - 8546 H2O 2177 H2O H1 3 0.423800 1.0079 0 - 8547 H2O 2177 H2O H2 3 0.423800 1.0079 0 - 8548 H2O 2178 H2O O1 4 -0.847600 15.9994 0 - 8549 H2O 2178 H2O H1 3 0.423800 1.0079 0 - 8550 H2O 2178 H2O H2 3 0.423800 1.0079 0 - 8551 H2O 2179 H2O O1 4 -0.847600 15.9994 0 - 8552 H2O 2179 H2O H1 3 0.423800 1.0079 0 - 8553 H2O 2179 H2O H2 3 0.423800 1.0079 0 - 8554 H2O 2180 H2O O1 4 -0.847600 15.9994 0 - 8555 H2O 2180 H2O H1 3 0.423800 1.0079 0 - 8556 H2O 2180 H2O H2 3 0.423800 1.0079 0 - 8557 H2O 2181 H2O O1 4 -0.847600 15.9994 0 - 8558 H2O 2181 H2O H1 3 0.423800 1.0079 0 - 8559 H2O 2181 H2O H2 3 0.423800 1.0079 0 - 8560 H2O 2182 H2O O1 4 -0.847600 15.9994 0 - 8561 H2O 2182 H2O H1 3 0.423800 1.0079 0 - 8562 H2O 2182 H2O H2 3 0.423800 1.0079 0 - 8563 H2O 2183 H2O O1 4 -0.847600 15.9994 0 - 8564 H2O 2183 H2O H1 3 0.423800 1.0079 0 - 8565 H2O 2183 H2O H2 3 0.423800 1.0079 0 - 8566 H2O 2184 H2O O1 4 -0.847600 15.9994 0 - 8567 H2O 2184 H2O H1 3 0.423800 1.0079 0 - 8568 H2O 2184 H2O H2 3 0.423800 1.0079 0 - 8569 H2O 2185 H2O O1 4 -0.847600 15.9994 0 - 8570 H2O 2185 H2O H1 3 0.423800 1.0079 0 - 8571 H2O 2185 H2O H2 3 0.423800 1.0079 0 - 8572 H2O 2186 H2O O1 4 -0.847600 15.9994 0 - 8573 H2O 2186 H2O H1 3 0.423800 1.0079 0 - 8574 H2O 2186 H2O H2 3 0.423800 1.0079 0 - 8575 H2O 2187 H2O O1 4 -0.847600 15.9994 0 - 8576 H2O 2187 H2O H1 3 0.423800 1.0079 0 - 8577 H2O 2187 H2O H2 3 0.423800 1.0079 0 - 8578 H2O 2188 H2O O1 4 -0.847600 15.9994 0 - 8579 H2O 2188 H2O H1 3 0.423800 1.0079 0 - 8580 H2O 2188 H2O H2 3 0.423800 1.0079 0 - 8581 H2O 2189 H2O O1 4 -0.847600 15.9994 0 - 8582 H2O 2189 H2O H1 3 0.423800 1.0079 0 - 8583 H2O 2189 H2O H2 3 0.423800 1.0079 0 - 8584 H2O 2190 H2O O1 4 -0.847600 15.9994 0 - 8585 H2O 2190 H2O H1 3 0.423800 1.0079 0 - 8586 H2O 2190 H2O H2 3 0.423800 1.0079 0 - 8587 H2O 2191 H2O O1 4 -0.847600 15.9994 0 - 8588 H2O 2191 H2O H1 3 0.423800 1.0079 0 - 8589 H2O 2191 H2O H2 3 0.423800 1.0079 0 - 8590 H2O 2192 H2O O1 4 -0.847600 15.9994 0 - 8591 H2O 2192 H2O H1 3 0.423800 1.0079 0 - 8592 H2O 2192 H2O H2 3 0.423800 1.0079 0 - 8593 H2O 2193 H2O O1 4 -0.847600 15.9994 0 - 8594 H2O 2193 H2O H1 3 0.423800 1.0079 0 - 8595 H2O 2193 H2O H2 3 0.423800 1.0079 0 - 8596 H2O 2194 H2O O1 4 -0.847600 15.9994 0 - 8597 H2O 2194 H2O H1 3 0.423800 1.0079 0 - 8598 H2O 2194 H2O H2 3 0.423800 1.0079 0 - 8599 H2O 2195 H2O O1 4 -0.847600 15.9994 0 - 8600 H2O 2195 H2O H1 3 0.423800 1.0079 0 - 8601 H2O 2195 H2O H2 3 0.423800 1.0079 0 - 8602 H2O 2196 H2O O1 4 -0.847600 15.9994 0 - 8603 H2O 2196 H2O H1 3 0.423800 1.0079 0 - 8604 H2O 2196 H2O H2 3 0.423800 1.0079 0 - 8605 H2O 2197 H2O O1 4 -0.847600 15.9994 0 - 8606 H2O 2197 H2O H1 3 0.423800 1.0079 0 - 8607 H2O 2197 H2O H2 3 0.423800 1.0079 0 - 8608 H2O 2198 H2O O1 4 -0.847600 15.9994 0 - 8609 H2O 2198 H2O H1 3 0.423800 1.0079 0 - 8610 H2O 2198 H2O H2 3 0.423800 1.0079 0 - 8611 H2O 2199 H2O O1 4 -0.847600 15.9994 0 - 8612 H2O 2199 H2O H1 3 0.423800 1.0079 0 - 8613 H2O 2199 H2O H2 3 0.423800 1.0079 0 - 8614 H2O 2200 H2O O1 4 -0.847600 15.9994 0 - 8615 H2O 2200 H2O H1 3 0.423800 1.0079 0 - 8616 H2O 2200 H2O H2 3 0.423800 1.0079 0 - 8617 H2O 2201 H2O O1 4 -0.847600 15.9994 0 - 8618 H2O 2201 H2O H1 3 0.423800 1.0079 0 - 8619 H2O 2201 H2O H2 3 0.423800 1.0079 0 - 8620 H2O 2202 H2O O1 4 -0.847600 15.9994 0 - 8621 H2O 2202 H2O H1 3 0.423800 1.0079 0 - 8622 H2O 2202 H2O H2 3 0.423800 1.0079 0 - 8623 H2O 2203 H2O O1 4 -0.847600 15.9994 0 - 8624 H2O 2203 H2O H1 3 0.423800 1.0079 0 - 8625 H2O 2203 H2O H2 3 0.423800 1.0079 0 - 8626 H2O 2204 H2O O1 4 -0.847600 15.9994 0 - 8627 H2O 2204 H2O H1 3 0.423800 1.0079 0 - 8628 H2O 2204 H2O H2 3 0.423800 1.0079 0 - 8629 H2O 2205 H2O O1 4 -0.847600 15.9994 0 - 8630 H2O 2205 H2O H1 3 0.423800 1.0079 0 - 8631 H2O 2205 H2O H2 3 0.423800 1.0079 0 - 8632 H2O 2206 H2O O1 4 -0.847600 15.9994 0 - 8633 H2O 2206 H2O H1 3 0.423800 1.0079 0 - 8634 H2O 2206 H2O H2 3 0.423800 1.0079 0 - 8635 H2O 2207 H2O O1 4 -0.847600 15.9994 0 - 8636 H2O 2207 H2O H1 3 0.423800 1.0079 0 - 8637 H2O 2207 H2O H2 3 0.423800 1.0079 0 - 8638 H2O 2208 H2O O1 4 -0.847600 15.9994 0 - 8639 H2O 2208 H2O H1 3 0.423800 1.0079 0 - 8640 H2O 2208 H2O H2 3 0.423800 1.0079 0 - 8641 H2O 2209 H2O O1 4 -0.847600 15.9994 0 - 8642 H2O 2209 H2O H1 3 0.423800 1.0079 0 - 8643 H2O 2209 H2O H2 3 0.423800 1.0079 0 - 8644 H2O 2210 H2O O1 4 -0.847600 15.9994 0 - 8645 H2O 2210 H2O H1 3 0.423800 1.0079 0 - 8646 H2O 2210 H2O H2 3 0.423800 1.0079 0 - 8647 H2O 2211 H2O O1 4 -0.847600 15.9994 0 - 8648 H2O 2211 H2O H1 3 0.423800 1.0079 0 - 8649 H2O 2211 H2O H2 3 0.423800 1.0079 0 - 8650 H2O 2212 H2O O1 4 -0.847600 15.9994 0 - 8651 H2O 2212 H2O H1 3 0.423800 1.0079 0 - 8652 H2O 2212 H2O H2 3 0.423800 1.0079 0 - 8653 H2O 2213 H2O O1 4 -0.847600 15.9994 0 - 8654 H2O 2213 H2O H1 3 0.423800 1.0079 0 - 8655 H2O 2213 H2O H2 3 0.423800 1.0079 0 - 8656 H2O 2214 H2O O1 4 -0.847600 15.9994 0 - 8657 H2O 2214 H2O H1 3 0.423800 1.0079 0 - 8658 H2O 2214 H2O H2 3 0.423800 1.0079 0 - 8659 H2O 2215 H2O O1 4 -0.847600 15.9994 0 - 8660 H2O 2215 H2O H1 3 0.423800 1.0079 0 - 8661 H2O 2215 H2O H2 3 0.423800 1.0079 0 - 8662 H2O 2216 H2O O1 4 -0.847600 15.9994 0 - 8663 H2O 2216 H2O H1 3 0.423800 1.0079 0 - 8664 H2O 2216 H2O H2 3 0.423800 1.0079 0 - 8665 H2O 2217 H2O O1 4 -0.847600 15.9994 0 - 8666 H2O 2217 H2O H1 3 0.423800 1.0079 0 - 8667 H2O 2217 H2O H2 3 0.423800 1.0079 0 - 8668 H2O 2218 H2O O1 4 -0.847600 15.9994 0 - 8669 H2O 2218 H2O H1 3 0.423800 1.0079 0 - 8670 H2O 2218 H2O H2 3 0.423800 1.0079 0 - 8671 H2O 2219 H2O O1 4 -0.847600 15.9994 0 - 8672 H2O 2219 H2O H1 3 0.423800 1.0079 0 - 8673 H2O 2219 H2O H2 3 0.423800 1.0079 0 - 8674 H2O 2220 H2O O1 4 -0.847600 15.9994 0 - 8675 H2O 2220 H2O H1 3 0.423800 1.0079 0 - 8676 H2O 2220 H2O H2 3 0.423800 1.0079 0 - 8677 H2O 2221 H2O O1 4 -0.847600 15.9994 0 - 8678 H2O 2221 H2O H1 3 0.423800 1.0079 0 - 8679 H2O 2221 H2O H2 3 0.423800 1.0079 0 - 8680 H2O 2222 H2O O1 4 -0.847600 15.9994 0 - 8681 H2O 2222 H2O H1 3 0.423800 1.0079 0 - 8682 H2O 2222 H2O H2 3 0.423800 1.0079 0 - 8683 H2O 2223 H2O O1 4 -0.847600 15.9994 0 - 8684 H2O 2223 H2O H1 3 0.423800 1.0079 0 - 8685 H2O 2223 H2O H2 3 0.423800 1.0079 0 - 8686 H2O 2224 H2O O1 4 -0.847600 15.9994 0 - 8687 H2O 2224 H2O H1 3 0.423800 1.0079 0 - 8688 H2O 2224 H2O H2 3 0.423800 1.0079 0 - 8689 H2O 2225 H2O O1 4 -0.847600 15.9994 0 - 8690 H2O 2225 H2O H1 3 0.423800 1.0079 0 - 8691 H2O 2225 H2O H2 3 0.423800 1.0079 0 - 8692 H2O 2226 H2O O1 4 -0.847600 15.9994 0 - 8693 H2O 2226 H2O H1 3 0.423800 1.0079 0 - 8694 H2O 2226 H2O H2 3 0.423800 1.0079 0 - 8695 H2O 2227 H2O O1 4 -0.847600 15.9994 0 - 8696 H2O 2227 H2O H1 3 0.423800 1.0079 0 - 8697 H2O 2227 H2O H2 3 0.423800 1.0079 0 - 8698 H2O 2228 H2O O1 4 -0.847600 15.9994 0 - 8699 H2O 2228 H2O H1 3 0.423800 1.0079 0 - 8700 H2O 2228 H2O H2 3 0.423800 1.0079 0 - 8701 H2O 2229 H2O O1 4 -0.847600 15.9994 0 - 8702 H2O 2229 H2O H1 3 0.423800 1.0079 0 - 8703 H2O 2229 H2O H2 3 0.423800 1.0079 0 - 8704 H2O 2230 H2O O1 4 -0.847600 15.9994 0 - 8705 H2O 2230 H2O H1 3 0.423800 1.0079 0 - 8706 H2O 2230 H2O H2 3 0.423800 1.0079 0 - 8707 H2O 2231 H2O O1 4 -0.847600 15.9994 0 - 8708 H2O 2231 H2O H1 3 0.423800 1.0079 0 - 8709 H2O 2231 H2O H2 3 0.423800 1.0079 0 - 8710 H2O 2232 H2O O1 4 -0.847600 15.9994 0 - 8711 H2O 2232 H2O H1 3 0.423800 1.0079 0 - 8712 H2O 2232 H2O H2 3 0.423800 1.0079 0 - 8713 H2O 2233 H2O O1 4 -0.847600 15.9994 0 - 8714 H2O 2233 H2O H1 3 0.423800 1.0079 0 - 8715 H2O 2233 H2O H2 3 0.423800 1.0079 0 - 8716 H2O 2234 H2O O1 4 -0.847600 15.9994 0 - 8717 H2O 2234 H2O H1 3 0.423800 1.0079 0 - 8718 H2O 2234 H2O H2 3 0.423800 1.0079 0 - 8719 H2O 2235 H2O O1 4 -0.847600 15.9994 0 - 8720 H2O 2235 H2O H1 3 0.423800 1.0079 0 - 8721 H2O 2235 H2O H2 3 0.423800 1.0079 0 - 8722 H2O 2236 H2O O1 4 -0.847600 15.9994 0 - 8723 H2O 2236 H2O H1 3 0.423800 1.0079 0 - 8724 H2O 2236 H2O H2 3 0.423800 1.0079 0 - 8725 H2O 2237 H2O O1 4 -0.847600 15.9994 0 - 8726 H2O 2237 H2O H1 3 0.423800 1.0079 0 - 8727 H2O 2237 H2O H2 3 0.423800 1.0079 0 - 8728 H2O 2238 H2O O1 4 -0.847600 15.9994 0 - 8729 H2O 2238 H2O H1 3 0.423800 1.0079 0 - 8730 H2O 2238 H2O H2 3 0.423800 1.0079 0 - 8731 H2O 2239 H2O O1 4 -0.847600 15.9994 0 - 8732 H2O 2239 H2O H1 3 0.423800 1.0079 0 - 8733 H2O 2239 H2O H2 3 0.423800 1.0079 0 - 8734 H2O 2240 H2O O1 4 -0.847600 15.9994 0 - 8735 H2O 2240 H2O H1 3 0.423800 1.0079 0 - 8736 H2O 2240 H2O H2 3 0.423800 1.0079 0 - 8737 H2O 2241 H2O O1 4 -0.847600 15.9994 0 - 8738 H2O 2241 H2O H1 3 0.423800 1.0079 0 - 8739 H2O 2241 H2O H2 3 0.423800 1.0079 0 - 8740 H2O 2242 H2O O1 4 -0.847600 15.9994 0 - 8741 H2O 2242 H2O H1 3 0.423800 1.0079 0 - 8742 H2O 2242 H2O H2 3 0.423800 1.0079 0 - 8743 H2O 2243 H2O O1 4 -0.847600 15.9994 0 - 8744 H2O 2243 H2O H1 3 0.423800 1.0079 0 - 8745 H2O 2243 H2O H2 3 0.423800 1.0079 0 - 8746 H2O 2244 H2O O1 4 -0.847600 15.9994 0 - 8747 H2O 2244 H2O H1 3 0.423800 1.0079 0 - 8748 H2O 2244 H2O H2 3 0.423800 1.0079 0 - 8749 H2O 2245 H2O O1 4 -0.847600 15.9994 0 - 8750 H2O 2245 H2O H1 3 0.423800 1.0079 0 - 8751 H2O 2245 H2O H2 3 0.423800 1.0079 0 - 8752 H2O 2246 H2O O1 4 -0.847600 15.9994 0 - 8753 H2O 2246 H2O H1 3 0.423800 1.0079 0 - 8754 H2O 2246 H2O H2 3 0.423800 1.0079 0 - 8755 H2O 2247 H2O O1 4 -0.847600 15.9994 0 - 8756 H2O 2247 H2O H1 3 0.423800 1.0079 0 - 8757 H2O 2247 H2O H2 3 0.423800 1.0079 0 - 8758 H2O 2248 H2O O1 4 -0.847600 15.9994 0 - 8759 H2O 2248 H2O H1 3 0.423800 1.0079 0 - 8760 H2O 2248 H2O H2 3 0.423800 1.0079 0 - 8761 H2O 2249 H2O O1 4 -0.847600 15.9994 0 - 8762 H2O 2249 H2O H1 3 0.423800 1.0079 0 - 8763 H2O 2249 H2O H2 3 0.423800 1.0079 0 - 8764 H2O 2250 H2O O1 4 -0.847600 15.9994 0 - 8765 H2O 2250 H2O H1 3 0.423800 1.0079 0 - 8766 H2O 2250 H2O H2 3 0.423800 1.0079 0 - 8767 H2O 2251 H2O O1 4 -0.847600 15.9994 0 - 8768 H2O 2251 H2O H1 3 0.423800 1.0079 0 - 8769 H2O 2251 H2O H2 3 0.423800 1.0079 0 - 8770 H2O 2252 H2O O1 4 -0.847600 15.9994 0 - 8771 H2O 2252 H2O H1 3 0.423800 1.0079 0 - 8772 H2O 2252 H2O H2 3 0.423800 1.0079 0 - 8773 H2O 2253 H2O O1 4 -0.847600 15.9994 0 - 8774 H2O 2253 H2O H1 3 0.423800 1.0079 0 - 8775 H2O 2253 H2O H2 3 0.423800 1.0079 0 - 8776 H2O 2254 H2O O1 4 -0.847600 15.9994 0 - 8777 H2O 2254 H2O H1 3 0.423800 1.0079 0 - 8778 H2O 2254 H2O H2 3 0.423800 1.0079 0 - 8779 H2O 2255 H2O O1 4 -0.847600 15.9994 0 - 8780 H2O 2255 H2O H1 3 0.423800 1.0079 0 - 8781 H2O 2255 H2O H2 3 0.423800 1.0079 0 - 8782 H2O 2256 H2O O1 4 -0.847600 15.9994 0 - 8783 H2O 2256 H2O H1 3 0.423800 1.0079 0 - 8784 H2O 2256 H2O H2 3 0.423800 1.0079 0 - 8785 H2O 2257 H2O O1 4 -0.847600 15.9994 0 - 8786 H2O 2257 H2O H1 3 0.423800 1.0079 0 - 8787 H2O 2257 H2O H2 3 0.423800 1.0079 0 - 8788 H2O 2258 H2O O1 4 -0.847600 15.9994 0 - 8789 H2O 2258 H2O H1 3 0.423800 1.0079 0 - 8790 H2O 2258 H2O H2 3 0.423800 1.0079 0 - 8791 H2O 2259 H2O O1 4 -0.847600 15.9994 0 - 8792 H2O 2259 H2O H1 3 0.423800 1.0079 0 - 8793 H2O 2259 H2O H2 3 0.423800 1.0079 0 - 8794 H2O 2260 H2O O1 4 -0.847600 15.9994 0 - 8795 H2O 2260 H2O H1 3 0.423800 1.0079 0 - 8796 H2O 2260 H2O H2 3 0.423800 1.0079 0 - 8797 H2O 2261 H2O O1 4 -0.847600 15.9994 0 - 8798 H2O 2261 H2O H1 3 0.423800 1.0079 0 - 8799 H2O 2261 H2O H2 3 0.423800 1.0079 0 - 8800 H2O 2262 H2O O1 4 -0.847600 15.9994 0 - 8801 H2O 2262 H2O H1 3 0.423800 1.0079 0 - 8802 H2O 2262 H2O H2 3 0.423800 1.0079 0 - 8803 H2O 2263 H2O O1 4 -0.847600 15.9994 0 - 8804 H2O 2263 H2O H1 3 0.423800 1.0079 0 - 8805 H2O 2263 H2O H2 3 0.423800 1.0079 0 - 8806 H2O 2264 H2O O1 4 -0.847600 15.9994 0 - 8807 H2O 2264 H2O H1 3 0.423800 1.0079 0 - 8808 H2O 2264 H2O H2 3 0.423800 1.0079 0 - 8809 H2O 2265 H2O O1 4 -0.847600 15.9994 0 - 8810 H2O 2265 H2O H1 3 0.423800 1.0079 0 - 8811 H2O 2265 H2O H2 3 0.423800 1.0079 0 - 8812 H2O 2266 H2O O1 4 -0.847600 15.9994 0 - 8813 H2O 2266 H2O H1 3 0.423800 1.0079 0 - 8814 H2O 2266 H2O H2 3 0.423800 1.0079 0 - 8815 H2O 2267 H2O O1 4 -0.847600 15.9994 0 - 8816 H2O 2267 H2O H1 3 0.423800 1.0079 0 - 8817 H2O 2267 H2O H2 3 0.423800 1.0079 0 - 8818 H2O 2268 H2O O1 4 -0.847600 15.9994 0 - 8819 H2O 2268 H2O H1 3 0.423800 1.0079 0 - 8820 H2O 2268 H2O H2 3 0.423800 1.0079 0 - 8821 H2O 2269 H2O O1 4 -0.847600 15.9994 0 - 8822 H2O 2269 H2O H1 3 0.423800 1.0079 0 - 8823 H2O 2269 H2O H2 3 0.423800 1.0079 0 - 8824 H2O 2270 H2O O1 4 -0.847600 15.9994 0 - 8825 H2O 2270 H2O H1 3 0.423800 1.0079 0 - 8826 H2O 2270 H2O H2 3 0.423800 1.0079 0 - 8827 H2O 2271 H2O O1 4 -0.847600 15.9994 0 - 8828 H2O 2271 H2O H1 3 0.423800 1.0079 0 - 8829 H2O 2271 H2O H2 3 0.423800 1.0079 0 - 8830 H2O 2272 H2O O1 4 -0.847600 15.9994 0 - 8831 H2O 2272 H2O H1 3 0.423800 1.0079 0 - 8832 H2O 2272 H2O H2 3 0.423800 1.0079 0 - 8833 H2O 2273 H2O O1 4 -0.847600 15.9994 0 - 8834 H2O 2273 H2O H1 3 0.423800 1.0079 0 - 8835 H2O 2273 H2O H2 3 0.423800 1.0079 0 - 8836 H2O 2274 H2O O1 4 -0.847600 15.9994 0 - 8837 H2O 2274 H2O H1 3 0.423800 1.0079 0 - 8838 H2O 2274 H2O H2 3 0.423800 1.0079 0 - 8839 H2O 2275 H2O O1 4 -0.847600 15.9994 0 - 8840 H2O 2275 H2O H1 3 0.423800 1.0079 0 - 8841 H2O 2275 H2O H2 3 0.423800 1.0079 0 - 8842 H2O 2276 H2O O1 4 -0.847600 15.9994 0 - 8843 H2O 2276 H2O H1 3 0.423800 1.0079 0 - 8844 H2O 2276 H2O H2 3 0.423800 1.0079 0 - 8845 H2O 2277 H2O O1 4 -0.847600 15.9994 0 - 8846 H2O 2277 H2O H1 3 0.423800 1.0079 0 - 8847 H2O 2277 H2O H2 3 0.423800 1.0079 0 - 8848 H2O 2278 H2O O1 4 -0.847600 15.9994 0 - 8849 H2O 2278 H2O H1 3 0.423800 1.0079 0 - 8850 H2O 2278 H2O H2 3 0.423800 1.0079 0 - 8851 H2O 2279 H2O O1 4 -0.847600 15.9994 0 - 8852 H2O 2279 H2O H1 3 0.423800 1.0079 0 - 8853 H2O 2279 H2O H2 3 0.423800 1.0079 0 - 8854 H2O 2280 H2O O1 4 -0.847600 15.9994 0 - 8855 H2O 2280 H2O H1 3 0.423800 1.0079 0 - 8856 H2O 2280 H2O H2 3 0.423800 1.0079 0 - 8857 H2O 2281 H2O O1 4 -0.847600 15.9994 0 - 8858 H2O 2281 H2O H1 3 0.423800 1.0079 0 - 8859 H2O 2281 H2O H2 3 0.423800 1.0079 0 - 8860 H2O 2282 H2O O1 4 -0.847600 15.9994 0 - 8861 H2O 2282 H2O H1 3 0.423800 1.0079 0 - 8862 H2O 2282 H2O H2 3 0.423800 1.0079 0 - 8863 H2O 2283 H2O O1 4 -0.847600 15.9994 0 - 8864 H2O 2283 H2O H1 3 0.423800 1.0079 0 - 8865 H2O 2283 H2O H2 3 0.423800 1.0079 0 - 8866 H2O 2284 H2O O1 4 -0.847600 15.9994 0 - 8867 H2O 2284 H2O H1 3 0.423800 1.0079 0 - 8868 H2O 2284 H2O H2 3 0.423800 1.0079 0 - 8869 H2O 2285 H2O O1 4 -0.847600 15.9994 0 - 8870 H2O 2285 H2O H1 3 0.423800 1.0079 0 - 8871 H2O 2285 H2O H2 3 0.423800 1.0079 0 - 8872 H2O 2286 H2O O1 4 -0.847600 15.9994 0 - 8873 H2O 2286 H2O H1 3 0.423800 1.0079 0 - 8874 H2O 2286 H2O H2 3 0.423800 1.0079 0 - 8875 H2O 2287 H2O O1 4 -0.847600 15.9994 0 - 8876 H2O 2287 H2O H1 3 0.423800 1.0079 0 - 8877 H2O 2287 H2O H2 3 0.423800 1.0079 0 - 8878 H2O 2288 H2O O1 4 -0.847600 15.9994 0 - 8879 H2O 2288 H2O H1 3 0.423800 1.0079 0 - 8880 H2O 2288 H2O H2 3 0.423800 1.0079 0 - 8881 H2O 2289 H2O O1 4 -0.847600 15.9994 0 - 8882 H2O 2289 H2O H1 3 0.423800 1.0079 0 - 8883 H2O 2289 H2O H2 3 0.423800 1.0079 0 - 8884 H2O 2290 H2O O1 4 -0.847600 15.9994 0 - 8885 H2O 2290 H2O H1 3 0.423800 1.0079 0 - 8886 H2O 2290 H2O H2 3 0.423800 1.0079 0 - 8887 H2O 2291 H2O O1 4 -0.847600 15.9994 0 - 8888 H2O 2291 H2O H1 3 0.423800 1.0079 0 - 8889 H2O 2291 H2O H2 3 0.423800 1.0079 0 - 8890 H2O 2292 H2O O1 4 -0.847600 15.9994 0 - 8891 H2O 2292 H2O H1 3 0.423800 1.0079 0 - 8892 H2O 2292 H2O H2 3 0.423800 1.0079 0 - 8893 H2O 2293 H2O O1 4 -0.847600 15.9994 0 - 8894 H2O 2293 H2O H1 3 0.423800 1.0079 0 - 8895 H2O 2293 H2O H2 3 0.423800 1.0079 0 - 8896 H2O 2294 H2O O1 4 -0.847600 15.9994 0 - 8897 H2O 2294 H2O H1 3 0.423800 1.0079 0 - 8898 H2O 2294 H2O H2 3 0.423800 1.0079 0 - 8899 H2O 2295 H2O O1 4 -0.847600 15.9994 0 - 8900 H2O 2295 H2O H1 3 0.423800 1.0079 0 - 8901 H2O 2295 H2O H2 3 0.423800 1.0079 0 - 8902 H2O 2296 H2O O1 4 -0.847600 15.9994 0 - 8903 H2O 2296 H2O H1 3 0.423800 1.0079 0 - 8904 H2O 2296 H2O H2 3 0.423800 1.0079 0 - 8905 H2O 2297 H2O O1 4 -0.847600 15.9994 0 - 8906 H2O 2297 H2O H1 3 0.423800 1.0079 0 - 8907 H2O 2297 H2O H2 3 0.423800 1.0079 0 - 8908 H2O 2298 H2O O1 4 -0.847600 15.9994 0 - 8909 H2O 2298 H2O H1 3 0.423800 1.0079 0 - 8910 H2O 2298 H2O H2 3 0.423800 1.0079 0 - 8911 H2O 2299 H2O O1 4 -0.847600 15.9994 0 - 8912 H2O 2299 H2O H1 3 0.423800 1.0079 0 - 8913 H2O 2299 H2O H2 3 0.423800 1.0079 0 - 8914 H2O 2300 H2O O1 4 -0.847600 15.9994 0 - 8915 H2O 2300 H2O H1 3 0.423800 1.0079 0 - 8916 H2O 2300 H2O H2 3 0.423800 1.0079 0 - 8917 H2O 2301 H2O O1 4 -0.847600 15.9994 0 - 8918 H2O 2301 H2O H1 3 0.423800 1.0079 0 - 8919 H2O 2301 H2O H2 3 0.423800 1.0079 0 - 8920 H2O 2302 H2O O1 4 -0.847600 15.9994 0 - 8921 H2O 2302 H2O H1 3 0.423800 1.0079 0 - 8922 H2O 2302 H2O H2 3 0.423800 1.0079 0 - 8923 H2O 2303 H2O O1 4 -0.847600 15.9994 0 - 8924 H2O 2303 H2O H1 3 0.423800 1.0079 0 - 8925 H2O 2303 H2O H2 3 0.423800 1.0079 0 - 8926 H2O 2304 H2O O1 4 -0.847600 15.9994 0 - 8927 H2O 2304 H2O H1 3 0.423800 1.0079 0 - 8928 H2O 2304 H2O H2 3 0.423800 1.0079 0 - 8929 H2O 2305 H2O O1 4 -0.847600 15.9994 0 - 8930 H2O 2305 H2O H1 3 0.423800 1.0079 0 - 8931 H2O 2305 H2O H2 3 0.423800 1.0079 0 - 8932 H2O 2306 H2O O1 4 -0.847600 15.9994 0 - 8933 H2O 2306 H2O H1 3 0.423800 1.0079 0 - 8934 H2O 2306 H2O H2 3 0.423800 1.0079 0 - 8935 H2O 2307 H2O O1 4 -0.847600 15.9994 0 - 8936 H2O 2307 H2O H1 3 0.423800 1.0079 0 - 8937 H2O 2307 H2O H2 3 0.423800 1.0079 0 - 8938 H2O 2308 H2O O1 4 -0.847600 15.9994 0 - 8939 H2O 2308 H2O H1 3 0.423800 1.0079 0 - 8940 H2O 2308 H2O H2 3 0.423800 1.0079 0 - 8941 H2O 2309 H2O O1 4 -0.847600 15.9994 0 - 8942 H2O 2309 H2O H1 3 0.423800 1.0079 0 - 8943 H2O 2309 H2O H2 3 0.423800 1.0079 0 - 8944 H2O 2310 H2O O1 4 -0.847600 15.9994 0 - 8945 H2O 2310 H2O H1 3 0.423800 1.0079 0 - 8946 H2O 2310 H2O H2 3 0.423800 1.0079 0 - 8947 H2O 2311 H2O O1 4 -0.847600 15.9994 0 - 8948 H2O 2311 H2O H1 3 0.423800 1.0079 0 - 8949 H2O 2311 H2O H2 3 0.423800 1.0079 0 - 8950 H2O 2312 H2O O1 4 -0.847600 15.9994 0 - 8951 H2O 2312 H2O H1 3 0.423800 1.0079 0 - 8952 H2O 2312 H2O H2 3 0.423800 1.0079 0 - 8953 H2O 2313 H2O O1 4 -0.847600 15.9994 0 - 8954 H2O 2313 H2O H1 3 0.423800 1.0079 0 - 8955 H2O 2313 H2O H2 3 0.423800 1.0079 0 - 8956 H2O 2314 H2O O1 4 -0.847600 15.9994 0 - 8957 H2O 2314 H2O H1 3 0.423800 1.0079 0 - 8958 H2O 2314 H2O H2 3 0.423800 1.0079 0 - 8959 H2O 2315 H2O O1 4 -0.847600 15.9994 0 - 8960 H2O 2315 H2O H1 3 0.423800 1.0079 0 - 8961 H2O 2315 H2O H2 3 0.423800 1.0079 0 - 8962 H2O 2316 H2O O1 4 -0.847600 15.9994 0 - 8963 H2O 2316 H2O H1 3 0.423800 1.0079 0 - 8964 H2O 2316 H2O H2 3 0.423800 1.0079 0 - 8965 H2O 2317 H2O O1 4 -0.847600 15.9994 0 - 8966 H2O 2317 H2O H1 3 0.423800 1.0079 0 - 8967 H2O 2317 H2O H2 3 0.423800 1.0079 0 - 8968 H2O 2318 H2O O1 4 -0.847600 15.9994 0 - 8969 H2O 2318 H2O H1 3 0.423800 1.0079 0 - 8970 H2O 2318 H2O H2 3 0.423800 1.0079 0 - 8971 H2O 2319 H2O O1 4 -0.847600 15.9994 0 - 8972 H2O 2319 H2O H1 3 0.423800 1.0079 0 - 8973 H2O 2319 H2O H2 3 0.423800 1.0079 0 - 8974 H2O 2320 H2O O1 4 -0.847600 15.9994 0 - 8975 H2O 2320 H2O H1 3 0.423800 1.0079 0 - 8976 H2O 2320 H2O H2 3 0.423800 1.0079 0 - 8977 H2O 2321 H2O O1 4 -0.847600 15.9994 0 - 8978 H2O 2321 H2O H1 3 0.423800 1.0079 0 - 8979 H2O 2321 H2O H2 3 0.423800 1.0079 0 - 8980 H2O 2322 H2O O1 4 -0.847600 15.9994 0 - 8981 H2O 2322 H2O H1 3 0.423800 1.0079 0 - 8982 H2O 2322 H2O H2 3 0.423800 1.0079 0 - 8983 H2O 2323 H2O O1 4 -0.847600 15.9994 0 - 8984 H2O 2323 H2O H1 3 0.423800 1.0079 0 - 8985 H2O 2323 H2O H2 3 0.423800 1.0079 0 - 8986 H2O 2324 H2O O1 4 -0.847600 15.9994 0 - 8987 H2O 2324 H2O H1 3 0.423800 1.0079 0 - 8988 H2O 2324 H2O H2 3 0.423800 1.0079 0 - 8989 H2O 2325 H2O O1 4 -0.847600 15.9994 0 - 8990 H2O 2325 H2O H1 3 0.423800 1.0079 0 - 8991 H2O 2325 H2O H2 3 0.423800 1.0079 0 - 8992 H2O 2326 H2O O1 4 -0.847600 15.9994 0 - 8993 H2O 2326 H2O H1 3 0.423800 1.0079 0 - 8994 H2O 2326 H2O H2 3 0.423800 1.0079 0 - 8995 H2O 2327 H2O O1 4 -0.847600 15.9994 0 - 8996 H2O 2327 H2O H1 3 0.423800 1.0079 0 - 8997 H2O 2327 H2O H2 3 0.423800 1.0079 0 - 8998 H2O 2328 H2O O1 4 -0.847600 15.9994 0 - 8999 H2O 2328 H2O H1 3 0.423800 1.0079 0 - 9000 H2O 2328 H2O H2 3 0.423800 1.0079 0 - 9001 H2O 2329 H2O O1 4 -0.847600 15.9994 0 - 9002 H2O 2329 H2O H1 3 0.423800 1.0079 0 - 9003 H2O 2329 H2O H2 3 0.423800 1.0079 0 - 9004 H2O 2330 H2O O1 4 -0.847600 15.9994 0 - 9005 H2O 2330 H2O H1 3 0.423800 1.0079 0 - 9006 H2O 2330 H2O H2 3 0.423800 1.0079 0 - 9007 H2O 2331 H2O O1 4 -0.847600 15.9994 0 - 9008 H2O 2331 H2O H1 3 0.423800 1.0079 0 - 9009 H2O 2331 H2O H2 3 0.423800 1.0079 0 - 9010 H2O 2332 H2O O1 4 -0.847600 15.9994 0 - 9011 H2O 2332 H2O H1 3 0.423800 1.0079 0 - 9012 H2O 2332 H2O H2 3 0.423800 1.0079 0 - 9013 H2O 2333 H2O O1 4 -0.847600 15.9994 0 - 9014 H2O 2333 H2O H1 3 0.423800 1.0079 0 - 9015 H2O 2333 H2O H2 3 0.423800 1.0079 0 - 9016 H2O 2334 H2O O1 4 -0.847600 15.9994 0 - 9017 H2O 2334 H2O H1 3 0.423800 1.0079 0 - 9018 H2O 2334 H2O H2 3 0.423800 1.0079 0 - 9019 H2O 2335 H2O O1 4 -0.847600 15.9994 0 - 9020 H2O 2335 H2O H1 3 0.423800 1.0079 0 - 9021 H2O 2335 H2O H2 3 0.423800 1.0079 0 - 9022 H2O 2336 H2O O1 4 -0.847600 15.9994 0 - 9023 H2O 2336 H2O H1 3 0.423800 1.0079 0 - 9024 H2O 2336 H2O H2 3 0.423800 1.0079 0 - 9025 H2O 2337 H2O O1 4 -0.847600 15.9994 0 - 9026 H2O 2337 H2O H1 3 0.423800 1.0079 0 - 9027 H2O 2337 H2O H2 3 0.423800 1.0079 0 - 9028 H2O 2338 H2O O1 4 -0.847600 15.9994 0 - 9029 H2O 2338 H2O H1 3 0.423800 1.0079 0 - 9030 H2O 2338 H2O H2 3 0.423800 1.0079 0 - 9031 H2O 2339 H2O O1 4 -0.847600 15.9994 0 - 9032 H2O 2339 H2O H1 3 0.423800 1.0079 0 - 9033 H2O 2339 H2O H2 3 0.423800 1.0079 0 - 9034 H2O 2340 H2O O1 4 -0.847600 15.9994 0 - 9035 H2O 2340 H2O H1 3 0.423800 1.0079 0 - 9036 H2O 2340 H2O H2 3 0.423800 1.0079 0 - 9037 H2O 2341 H2O O1 4 -0.847600 15.9994 0 - 9038 H2O 2341 H2O H1 3 0.423800 1.0079 0 - 9039 H2O 2341 H2O H2 3 0.423800 1.0079 0 - 9040 H2O 2342 H2O O1 4 -0.847600 15.9994 0 - 9041 H2O 2342 H2O H1 3 0.423800 1.0079 0 - 9042 H2O 2342 H2O H2 3 0.423800 1.0079 0 - 9043 H2O 2343 H2O O1 4 -0.847600 15.9994 0 - 9044 H2O 2343 H2O H1 3 0.423800 1.0079 0 - 9045 H2O 2343 H2O H2 3 0.423800 1.0079 0 - 9046 H2O 2344 H2O O1 4 -0.847600 15.9994 0 - 9047 H2O 2344 H2O H1 3 0.423800 1.0079 0 - 9048 H2O 2344 H2O H2 3 0.423800 1.0079 0 - 9049 H2O 2345 H2O O1 4 -0.847600 15.9994 0 - 9050 H2O 2345 H2O H1 3 0.423800 1.0079 0 - 9051 H2O 2345 H2O H2 3 0.423800 1.0079 0 - 9052 H2O 2346 H2O O1 4 -0.847600 15.9994 0 - 9053 H2O 2346 H2O H1 3 0.423800 1.0079 0 - 9054 H2O 2346 H2O H2 3 0.423800 1.0079 0 - 9055 H2O 2347 H2O O1 4 -0.847600 15.9994 0 - 9056 H2O 2347 H2O H1 3 0.423800 1.0079 0 - 9057 H2O 2347 H2O H2 3 0.423800 1.0079 0 - 9058 H2O 2348 H2O O1 4 -0.847600 15.9994 0 - 9059 H2O 2348 H2O H1 3 0.423800 1.0079 0 - 9060 H2O 2348 H2O H2 3 0.423800 1.0079 0 - 9061 H2O 2349 H2O O1 4 -0.847600 15.9994 0 - 9062 H2O 2349 H2O H1 3 0.423800 1.0079 0 - 9063 H2O 2349 H2O H2 3 0.423800 1.0079 0 - 9064 H2O 2350 H2O O1 4 -0.847600 15.9994 0 - 9065 H2O 2350 H2O H1 3 0.423800 1.0079 0 - 9066 H2O 2350 H2O H2 3 0.423800 1.0079 0 - 9067 H2O 2351 H2O O1 4 -0.847600 15.9994 0 - 9068 H2O 2351 H2O H1 3 0.423800 1.0079 0 - 9069 H2O 2351 H2O H2 3 0.423800 1.0079 0 - 9070 H2O 2352 H2O O1 4 -0.847600 15.9994 0 - 9071 H2O 2352 H2O H1 3 0.423800 1.0079 0 - 9072 H2O 2352 H2O H2 3 0.423800 1.0079 0 - 9073 H2O 2353 H2O O1 4 -0.847600 15.9994 0 - 9074 H2O 2353 H2O H1 3 0.423800 1.0079 0 - 9075 H2O 2353 H2O H2 3 0.423800 1.0079 0 - 9076 H2O 2354 H2O O1 4 -0.847600 15.9994 0 - 9077 H2O 2354 H2O H1 3 0.423800 1.0079 0 - 9078 H2O 2354 H2O H2 3 0.423800 1.0079 0 - 9079 H2O 2355 H2O O1 4 -0.847600 15.9994 0 - 9080 H2O 2355 H2O H1 3 0.423800 1.0079 0 - 9081 H2O 2355 H2O H2 3 0.423800 1.0079 0 - 9082 H2O 2356 H2O O1 4 -0.847600 15.9994 0 - 9083 H2O 2356 H2O H1 3 0.423800 1.0079 0 - 9084 H2O 2356 H2O H2 3 0.423800 1.0079 0 - 9085 H2O 2357 H2O O1 4 -0.847600 15.9994 0 - 9086 H2O 2357 H2O H1 3 0.423800 1.0079 0 - 9087 H2O 2357 H2O H2 3 0.423800 1.0079 0 - 9088 H2O 2358 H2O O1 4 -0.847600 15.9994 0 - 9089 H2O 2358 H2O H1 3 0.423800 1.0079 0 - 9090 H2O 2358 H2O H2 3 0.423800 1.0079 0 - 9091 H2O 2359 H2O O1 4 -0.847600 15.9994 0 - 9092 H2O 2359 H2O H1 3 0.423800 1.0079 0 - 9093 H2O 2359 H2O H2 3 0.423800 1.0079 0 - 9094 H2O 2360 H2O O1 4 -0.847600 15.9994 0 - 9095 H2O 2360 H2O H1 3 0.423800 1.0079 0 - 9096 H2O 2360 H2O H2 3 0.423800 1.0079 0 - 9097 H2O 2361 H2O O1 4 -0.847600 15.9994 0 - 9098 H2O 2361 H2O H1 3 0.423800 1.0079 0 - 9099 H2O 2361 H2O H2 3 0.423800 1.0079 0 - 9100 H2O 2362 H2O O1 4 -0.847600 15.9994 0 - 9101 H2O 2362 H2O H1 3 0.423800 1.0079 0 - 9102 H2O 2362 H2O H2 3 0.423800 1.0079 0 - 9103 H2O 2363 H2O O1 4 -0.847600 15.9994 0 - 9104 H2O 2363 H2O H1 3 0.423800 1.0079 0 - 9105 H2O 2363 H2O H2 3 0.423800 1.0079 0 - 9106 H2O 2364 H2O O1 4 -0.847600 15.9994 0 - 9107 H2O 2364 H2O H1 3 0.423800 1.0079 0 - 9108 H2O 2364 H2O H2 3 0.423800 1.0079 0 - 9109 H2O 2365 H2O O1 4 -0.847600 15.9994 0 - 9110 H2O 2365 H2O H1 3 0.423800 1.0079 0 - 9111 H2O 2365 H2O H2 3 0.423800 1.0079 0 - 9112 H2O 2366 H2O O1 4 -0.847600 15.9994 0 - 9113 H2O 2366 H2O H1 3 0.423800 1.0079 0 - 9114 H2O 2366 H2O H2 3 0.423800 1.0079 0 - 9115 H2O 2367 H2O O1 4 -0.847600 15.9994 0 - 9116 H2O 2367 H2O H1 3 0.423800 1.0079 0 - 9117 H2O 2367 H2O H2 3 0.423800 1.0079 0 - 9118 H2O 2368 H2O O1 4 -0.847600 15.9994 0 - 9119 H2O 2368 H2O H1 3 0.423800 1.0079 0 - 9120 H2O 2368 H2O H2 3 0.423800 1.0079 0 - 9121 H2O 2369 H2O O1 4 -0.847600 15.9994 0 - 9122 H2O 2369 H2O H1 3 0.423800 1.0079 0 - 9123 H2O 2369 H2O H2 3 0.423800 1.0079 0 - 9124 H2O 2370 H2O O1 4 -0.847600 15.9994 0 - 9125 H2O 2370 H2O H1 3 0.423800 1.0079 0 - 9126 H2O 2370 H2O H2 3 0.423800 1.0079 0 - 9127 H2O 2371 H2O O1 4 -0.847600 15.9994 0 - 9128 H2O 2371 H2O H1 3 0.423800 1.0079 0 - 9129 H2O 2371 H2O H2 3 0.423800 1.0079 0 - 9130 H2O 2372 H2O O1 4 -0.847600 15.9994 0 - 9131 H2O 2372 H2O H1 3 0.423800 1.0079 0 - 9132 H2O 2372 H2O H2 3 0.423800 1.0079 0 - 9133 H2O 2373 H2O O1 4 -0.847600 15.9994 0 - 9134 H2O 2373 H2O H1 3 0.423800 1.0079 0 - 9135 H2O 2373 H2O H2 3 0.423800 1.0079 0 - 9136 H2O 2374 H2O O1 4 -0.847600 15.9994 0 - 9137 H2O 2374 H2O H1 3 0.423800 1.0079 0 - 9138 H2O 2374 H2O H2 3 0.423800 1.0079 0 - 9139 H2O 2375 H2O O1 4 -0.847600 15.9994 0 - 9140 H2O 2375 H2O H1 3 0.423800 1.0079 0 - 9141 H2O 2375 H2O H2 3 0.423800 1.0079 0 - 9142 H2O 2376 H2O O1 4 -0.847600 15.9994 0 - 9143 H2O 2376 H2O H1 3 0.423800 1.0079 0 - 9144 H2O 2376 H2O H2 3 0.423800 1.0079 0 - 9145 H2O 2377 H2O O1 4 -0.847600 15.9994 0 - 9146 H2O 2377 H2O H1 3 0.423800 1.0079 0 - 9147 H2O 2377 H2O H2 3 0.423800 1.0079 0 - 9148 H2O 2378 H2O O1 4 -0.847600 15.9994 0 - 9149 H2O 2378 H2O H1 3 0.423800 1.0079 0 - 9150 H2O 2378 H2O H2 3 0.423800 1.0079 0 - 9151 H2O 2379 H2O O1 4 -0.847600 15.9994 0 - 9152 H2O 2379 H2O H1 3 0.423800 1.0079 0 - 9153 H2O 2379 H2O H2 3 0.423800 1.0079 0 - 9154 H2O 2380 H2O O1 4 -0.847600 15.9994 0 - 9155 H2O 2380 H2O H1 3 0.423800 1.0079 0 - 9156 H2O 2380 H2O H2 3 0.423800 1.0079 0 - 9157 H2O 2381 H2O O1 4 -0.847600 15.9994 0 - 9158 H2O 2381 H2O H1 3 0.423800 1.0079 0 - 9159 H2O 2381 H2O H2 3 0.423800 1.0079 0 - 9160 H2O 2382 H2O O1 4 -0.847600 15.9994 0 - 9161 H2O 2382 H2O H1 3 0.423800 1.0079 0 - 9162 H2O 2382 H2O H2 3 0.423800 1.0079 0 - 9163 H2O 2383 H2O O1 4 -0.847600 15.9994 0 - 9164 H2O 2383 H2O H1 3 0.423800 1.0079 0 - 9165 H2O 2383 H2O H2 3 0.423800 1.0079 0 - 9166 H2O 2384 H2O O1 4 -0.847600 15.9994 0 - 9167 H2O 2384 H2O H1 3 0.423800 1.0079 0 - 9168 H2O 2384 H2O H2 3 0.423800 1.0079 0 - 9169 H2O 2385 H2O O1 4 -0.847600 15.9994 0 - 9170 H2O 2385 H2O H1 3 0.423800 1.0079 0 - 9171 H2O 2385 H2O H2 3 0.423800 1.0079 0 - 9172 H2O 2386 H2O O1 4 -0.847600 15.9994 0 - 9173 H2O 2386 H2O H1 3 0.423800 1.0079 0 - 9174 H2O 2386 H2O H2 3 0.423800 1.0079 0 - 9175 H2O 2387 H2O O1 4 -0.847600 15.9994 0 - 9176 H2O 2387 H2O H1 3 0.423800 1.0079 0 - 9177 H2O 2387 H2O H2 3 0.423800 1.0079 0 - 9178 H2O 2388 H2O O1 4 -0.847600 15.9994 0 - 9179 H2O 2388 H2O H1 3 0.423800 1.0079 0 - 9180 H2O 2388 H2O H2 3 0.423800 1.0079 0 - 9181 H2O 2389 H2O O1 4 -0.847600 15.9994 0 - 9182 H2O 2389 H2O H1 3 0.423800 1.0079 0 - 9183 H2O 2389 H2O H2 3 0.423800 1.0079 0 - 9184 H2O 2390 H2O O1 4 -0.847600 15.9994 0 - 9185 H2O 2390 H2O H1 3 0.423800 1.0079 0 - 9186 H2O 2390 H2O H2 3 0.423800 1.0079 0 - 9187 H2O 2391 H2O O1 4 -0.847600 15.9994 0 - 9188 H2O 2391 H2O H1 3 0.423800 1.0079 0 - 9189 H2O 2391 H2O H2 3 0.423800 1.0079 0 - 9190 H2O 2392 H2O O1 4 -0.847600 15.9994 0 - 9191 H2O 2392 H2O H1 3 0.423800 1.0079 0 - 9192 H2O 2392 H2O H2 3 0.423800 1.0079 0 - 9193 H2O 2393 H2O O1 4 -0.847600 15.9994 0 - 9194 H2O 2393 H2O H1 3 0.423800 1.0079 0 - 9195 H2O 2393 H2O H2 3 0.423800 1.0079 0 - 9196 H2O 2394 H2O O1 4 -0.847600 15.9994 0 - 9197 H2O 2394 H2O H1 3 0.423800 1.0079 0 - 9198 H2O 2394 H2O H2 3 0.423800 1.0079 0 - 9199 H2O 2395 H2O O1 4 -0.847600 15.9994 0 - 9200 H2O 2395 H2O H1 3 0.423800 1.0079 0 - 9201 H2O 2395 H2O H2 3 0.423800 1.0079 0 - 9202 H2O 2396 H2O O1 4 -0.847600 15.9994 0 - 9203 H2O 2396 H2O H1 3 0.423800 1.0079 0 - 9204 H2O 2396 H2O H2 3 0.423800 1.0079 0 - 9205 H2O 2397 H2O O1 4 -0.847600 15.9994 0 - 9206 H2O 2397 H2O H1 3 0.423800 1.0079 0 - 9207 H2O 2397 H2O H2 3 0.423800 1.0079 0 - 9208 H2O 2398 H2O O1 4 -0.847600 15.9994 0 - 9209 H2O 2398 H2O H1 3 0.423800 1.0079 0 - 9210 H2O 2398 H2O H2 3 0.423800 1.0079 0 - 9211 H2O 2399 H2O O1 4 -0.847600 15.9994 0 - 9212 H2O 2399 H2O H1 3 0.423800 1.0079 0 - 9213 H2O 2399 H2O H2 3 0.423800 1.0079 0 - 9214 H2O 2400 H2O O1 4 -0.847600 15.9994 0 - 9215 H2O 2400 H2O H1 3 0.423800 1.0079 0 - 9216 H2O 2400 H2O H2 3 0.423800 1.0079 0 - 9217 H2O 2401 H2O O1 4 -0.847600 15.9994 0 - 9218 H2O 2401 H2O H1 3 0.423800 1.0079 0 - 9219 H2O 2401 H2O H2 3 0.423800 1.0079 0 - 9220 H2O 2402 H2O O1 4 -0.847600 15.9994 0 - 9221 H2O 2402 H2O H1 3 0.423800 1.0079 0 - 9222 H2O 2402 H2O H2 3 0.423800 1.0079 0 - 9223 H2O 2403 H2O O1 4 -0.847600 15.9994 0 - 9224 H2O 2403 H2O H1 3 0.423800 1.0079 0 - 9225 H2O 2403 H2O H2 3 0.423800 1.0079 0 - 9226 H2O 2404 H2O O1 4 -0.847600 15.9994 0 - 9227 H2O 2404 H2O H1 3 0.423800 1.0079 0 - 9228 H2O 2404 H2O H2 3 0.423800 1.0079 0 - 9229 H2O 2405 H2O O1 4 -0.847600 15.9994 0 - 9230 H2O 2405 H2O H1 3 0.423800 1.0079 0 - 9231 H2O 2405 H2O H2 3 0.423800 1.0079 0 - 9232 H2O 2406 H2O O1 4 -0.847600 15.9994 0 - 9233 H2O 2406 H2O H1 3 0.423800 1.0079 0 - 9234 H2O 2406 H2O H2 3 0.423800 1.0079 0 - 9235 H2O 2407 H2O O1 4 -0.847600 15.9994 0 - 9236 H2O 2407 H2O H1 3 0.423800 1.0079 0 - 9237 H2O 2407 H2O H2 3 0.423800 1.0079 0 - 9238 H2O 2408 H2O O1 4 -0.847600 15.9994 0 - 9239 H2O 2408 H2O H1 3 0.423800 1.0079 0 - 9240 H2O 2408 H2O H2 3 0.423800 1.0079 0 - 9241 H2O 2409 H2O O1 4 -0.847600 15.9994 0 - 9242 H2O 2409 H2O H1 3 0.423800 1.0079 0 - 9243 H2O 2409 H2O H2 3 0.423800 1.0079 0 - 9244 H2O 2410 H2O O1 4 -0.847600 15.9994 0 - 9245 H2O 2410 H2O H1 3 0.423800 1.0079 0 - 9246 H2O 2410 H2O H2 3 0.423800 1.0079 0 - 9247 H2O 2411 H2O O1 4 -0.847600 15.9994 0 - 9248 H2O 2411 H2O H1 3 0.423800 1.0079 0 - 9249 H2O 2411 H2O H2 3 0.423800 1.0079 0 - 9250 H2O 2412 H2O O1 4 -0.847600 15.9994 0 - 9251 H2O 2412 H2O H1 3 0.423800 1.0079 0 - 9252 H2O 2412 H2O H2 3 0.423800 1.0079 0 - 9253 H2O 2413 H2O O1 4 -0.847600 15.9994 0 - 9254 H2O 2413 H2O H1 3 0.423800 1.0079 0 - 9255 H2O 2413 H2O H2 3 0.423800 1.0079 0 - 9256 H2O 2414 H2O O1 4 -0.847600 15.9994 0 - 9257 H2O 2414 H2O H1 3 0.423800 1.0079 0 - 9258 H2O 2414 H2O H2 3 0.423800 1.0079 0 - 9259 H2O 2415 H2O O1 4 -0.847600 15.9994 0 - 9260 H2O 2415 H2O H1 3 0.423800 1.0079 0 - 9261 H2O 2415 H2O H2 3 0.423800 1.0079 0 - 9262 H2O 2416 H2O O1 4 -0.847600 15.9994 0 - 9263 H2O 2416 H2O H1 3 0.423800 1.0079 0 - 9264 H2O 2416 H2O H2 3 0.423800 1.0079 0 - 9265 H2O 2417 H2O O1 4 -0.847600 15.9994 0 - 9266 H2O 2417 H2O H1 3 0.423800 1.0079 0 - 9267 H2O 2417 H2O H2 3 0.423800 1.0079 0 - 9268 H2O 2418 H2O O1 4 -0.847600 15.9994 0 - 9269 H2O 2418 H2O H1 3 0.423800 1.0079 0 - 9270 H2O 2418 H2O H2 3 0.423800 1.0079 0 - 9271 H2O 2419 H2O O1 4 -0.847600 15.9994 0 - 9272 H2O 2419 H2O H1 3 0.423800 1.0079 0 - 9273 H2O 2419 H2O H2 3 0.423800 1.0079 0 - 9274 H2O 2420 H2O O1 4 -0.847600 15.9994 0 - 9275 H2O 2420 H2O H1 3 0.423800 1.0079 0 - 9276 H2O 2420 H2O H2 3 0.423800 1.0079 0 - 9277 H2O 2421 H2O O1 4 -0.847600 15.9994 0 - 9278 H2O 2421 H2O H1 3 0.423800 1.0079 0 - 9279 H2O 2421 H2O H2 3 0.423800 1.0079 0 - 9280 H2O 2422 H2O O1 4 -0.847600 15.9994 0 - 9281 H2O 2422 H2O H1 3 0.423800 1.0079 0 - 9282 H2O 2422 H2O H2 3 0.423800 1.0079 0 - 9283 H2O 2423 H2O O1 4 -0.847600 15.9994 0 - 9284 H2O 2423 H2O H1 3 0.423800 1.0079 0 - 9285 H2O 2423 H2O H2 3 0.423800 1.0079 0 - 9286 H2O 2424 H2O O1 4 -0.847600 15.9994 0 - 9287 H2O 2424 H2O H1 3 0.423800 1.0079 0 - 9288 H2O 2424 H2O H2 3 0.423800 1.0079 0 - 9289 H2O 2425 H2O O1 4 -0.847600 15.9994 0 - 9290 H2O 2425 H2O H1 3 0.423800 1.0079 0 - 9291 H2O 2425 H2O H2 3 0.423800 1.0079 0 - 9292 H2O 2426 H2O O1 4 -0.847600 15.9994 0 - 9293 H2O 2426 H2O H1 3 0.423800 1.0079 0 - 9294 H2O 2426 H2O H2 3 0.423800 1.0079 0 - 9295 H2O 2427 H2O O1 4 -0.847600 15.9994 0 - 9296 H2O 2427 H2O H1 3 0.423800 1.0079 0 - 9297 H2O 2427 H2O H2 3 0.423800 1.0079 0 - 9298 H2O 2428 H2O O1 4 -0.847600 15.9994 0 - 9299 H2O 2428 H2O H1 3 0.423800 1.0079 0 - 9300 H2O 2428 H2O H2 3 0.423800 1.0079 0 - 9301 H2O 2429 H2O O1 4 -0.847600 15.9994 0 - 9302 H2O 2429 H2O H1 3 0.423800 1.0079 0 - 9303 H2O 2429 H2O H2 3 0.423800 1.0079 0 - 9304 H2O 2430 H2O O1 4 -0.847600 15.9994 0 - 9305 H2O 2430 H2O H1 3 0.423800 1.0079 0 - 9306 H2O 2430 H2O H2 3 0.423800 1.0079 0 - 9307 H2O 2431 H2O O1 4 -0.847600 15.9994 0 - 9308 H2O 2431 H2O H1 3 0.423800 1.0079 0 - 9309 H2O 2431 H2O H2 3 0.423800 1.0079 0 - 9310 H2O 2432 H2O O1 4 -0.847600 15.9994 0 - 9311 H2O 2432 H2O H1 3 0.423800 1.0079 0 - 9312 H2O 2432 H2O H2 3 0.423800 1.0079 0 - 9313 H2O 2433 H2O O1 4 -0.847600 15.9994 0 - 9314 H2O 2433 H2O H1 3 0.423800 1.0079 0 - 9315 H2O 2433 H2O H2 3 0.423800 1.0079 0 - 9316 H2O 2434 H2O O1 4 -0.847600 15.9994 0 - 9317 H2O 2434 H2O H1 3 0.423800 1.0079 0 - 9318 H2O 2434 H2O H2 3 0.423800 1.0079 0 - 9319 H2O 2435 H2O O1 4 -0.847600 15.9994 0 - 9320 H2O 2435 H2O H1 3 0.423800 1.0079 0 - 9321 H2O 2435 H2O H2 3 0.423800 1.0079 0 - 9322 H2O 2436 H2O O1 4 -0.847600 15.9994 0 - 9323 H2O 2436 H2O H1 3 0.423800 1.0079 0 - 9324 H2O 2436 H2O H2 3 0.423800 1.0079 0 - 9325 H2O 2437 H2O O1 4 -0.847600 15.9994 0 - 9326 H2O 2437 H2O H1 3 0.423800 1.0079 0 - 9327 H2O 2437 H2O H2 3 0.423800 1.0079 0 - 9328 H2O 2438 H2O O1 4 -0.847600 15.9994 0 - 9329 H2O 2438 H2O H1 3 0.423800 1.0079 0 - 9330 H2O 2438 H2O H2 3 0.423800 1.0079 0 - 9331 H2O 2439 H2O O1 4 -0.847600 15.9994 0 - 9332 H2O 2439 H2O H1 3 0.423800 1.0079 0 - 9333 H2O 2439 H2O H2 3 0.423800 1.0079 0 - 9334 H2O 2440 H2O O1 4 -0.847600 15.9994 0 - 9335 H2O 2440 H2O H1 3 0.423800 1.0079 0 - 9336 H2O 2440 H2O H2 3 0.423800 1.0079 0 - 9337 H2O 2441 H2O O1 4 -0.847600 15.9994 0 - 9338 H2O 2441 H2O H1 3 0.423800 1.0079 0 - 9339 H2O 2441 H2O H2 3 0.423800 1.0079 0 - 9340 H2O 2442 H2O O1 4 -0.847600 15.9994 0 - 9341 H2O 2442 H2O H1 3 0.423800 1.0079 0 - 9342 H2O 2442 H2O H2 3 0.423800 1.0079 0 - 9343 H2O 2443 H2O O1 4 -0.847600 15.9994 0 - 9344 H2O 2443 H2O H1 3 0.423800 1.0079 0 - 9345 H2O 2443 H2O H2 3 0.423800 1.0079 0 - 9346 H2O 2444 H2O O1 4 -0.847600 15.9994 0 - 9347 H2O 2444 H2O H1 3 0.423800 1.0079 0 - 9348 H2O 2444 H2O H2 3 0.423800 1.0079 0 - 9349 H2O 2445 H2O O1 4 -0.847600 15.9994 0 - 9350 H2O 2445 H2O H1 3 0.423800 1.0079 0 - 9351 H2O 2445 H2O H2 3 0.423800 1.0079 0 - 9352 H2O 2446 H2O O1 4 -0.847600 15.9994 0 - 9353 H2O 2446 H2O H1 3 0.423800 1.0079 0 - 9354 H2O 2446 H2O H2 3 0.423800 1.0079 0 - 9355 H2O 2447 H2O O1 4 -0.847600 15.9994 0 - 9356 H2O 2447 H2O H1 3 0.423800 1.0079 0 - 9357 H2O 2447 H2O H2 3 0.423800 1.0079 0 - 9358 H2O 2448 H2O O1 4 -0.847600 15.9994 0 - 9359 H2O 2448 H2O H1 3 0.423800 1.0079 0 - 9360 H2O 2448 H2O H2 3 0.423800 1.0079 0 - 9361 H2O 2449 H2O O1 4 -0.847600 15.9994 0 - 9362 H2O 2449 H2O H1 3 0.423800 1.0079 0 - 9363 H2O 2449 H2O H2 3 0.423800 1.0079 0 - 9364 H2O 2450 H2O O1 4 -0.847600 15.9994 0 - 9365 H2O 2450 H2O H1 3 0.423800 1.0079 0 - 9366 H2O 2450 H2O H2 3 0.423800 1.0079 0 - 9367 H2O 2451 H2O O1 4 -0.847600 15.9994 0 - 9368 H2O 2451 H2O H1 3 0.423800 1.0079 0 - 9369 H2O 2451 H2O H2 3 0.423800 1.0079 0 - 9370 H2O 2452 H2O O1 4 -0.847600 15.9994 0 - 9371 H2O 2452 H2O H1 3 0.423800 1.0079 0 - 9372 H2O 2452 H2O H2 3 0.423800 1.0079 0 - 9373 H2O 2453 H2O O1 4 -0.847600 15.9994 0 - 9374 H2O 2453 H2O H1 3 0.423800 1.0079 0 - 9375 H2O 2453 H2O H2 3 0.423800 1.0079 0 - 9376 H2O 2454 H2O O1 4 -0.847600 15.9994 0 - 9377 H2O 2454 H2O H1 3 0.423800 1.0079 0 - 9378 H2O 2454 H2O H2 3 0.423800 1.0079 0 - 9379 H2O 2455 H2O O1 4 -0.847600 15.9994 0 - 9380 H2O 2455 H2O H1 3 0.423800 1.0079 0 - 9381 H2O 2455 H2O H2 3 0.423800 1.0079 0 - 9382 H2O 2456 H2O O1 4 -0.847600 15.9994 0 - 9383 H2O 2456 H2O H1 3 0.423800 1.0079 0 - 9384 H2O 2456 H2O H2 3 0.423800 1.0079 0 - 9385 H2O 2457 H2O O1 4 -0.847600 15.9994 0 - 9386 H2O 2457 H2O H1 3 0.423800 1.0079 0 - 9387 H2O 2457 H2O H2 3 0.423800 1.0079 0 - 9388 H2O 2458 H2O O1 4 -0.847600 15.9994 0 - 9389 H2O 2458 H2O H1 3 0.423800 1.0079 0 - 9390 H2O 2458 H2O H2 3 0.423800 1.0079 0 - 9391 H2O 2459 H2O O1 4 -0.847600 15.9994 0 - 9392 H2O 2459 H2O H1 3 0.423800 1.0079 0 - 9393 H2O 2459 H2O H2 3 0.423800 1.0079 0 - 9394 H2O 2460 H2O O1 4 -0.847600 15.9994 0 - 9395 H2O 2460 H2O H1 3 0.423800 1.0079 0 - 9396 H2O 2460 H2O H2 3 0.423800 1.0079 0 - 9397 H2O 2461 H2O O1 4 -0.847600 15.9994 0 - 9398 H2O 2461 H2O H1 3 0.423800 1.0079 0 - 9399 H2O 2461 H2O H2 3 0.423800 1.0079 0 - 9400 H2O 2462 H2O O1 4 -0.847600 15.9994 0 - 9401 H2O 2462 H2O H1 3 0.423800 1.0079 0 - 9402 H2O 2462 H2O H2 3 0.423800 1.0079 0 - 9403 H2O 2463 H2O O1 4 -0.847600 15.9994 0 - 9404 H2O 2463 H2O H1 3 0.423800 1.0079 0 - 9405 H2O 2463 H2O H2 3 0.423800 1.0079 0 - 9406 H2O 2464 H2O O1 4 -0.847600 15.9994 0 - 9407 H2O 2464 H2O H1 3 0.423800 1.0079 0 - 9408 H2O 2464 H2O H2 3 0.423800 1.0079 0 - 9409 H2O 2465 H2O O1 4 -0.847600 15.9994 0 - 9410 H2O 2465 H2O H1 3 0.423800 1.0079 0 - 9411 H2O 2465 H2O H2 3 0.423800 1.0079 0 - 9412 H2O 2466 H2O O1 4 -0.847600 15.9994 0 - 9413 H2O 2466 H2O H1 3 0.423800 1.0079 0 - 9414 H2O 2466 H2O H2 3 0.423800 1.0079 0 - 9415 H2O 2467 H2O O1 4 -0.847600 15.9994 0 - 9416 H2O 2467 H2O H1 3 0.423800 1.0079 0 - 9417 H2O 2467 H2O H2 3 0.423800 1.0079 0 - 9418 H2O 2468 H2O O1 4 -0.847600 15.9994 0 - 9419 H2O 2468 H2O H1 3 0.423800 1.0079 0 - 9420 H2O 2468 H2O H2 3 0.423800 1.0079 0 - 9421 H2O 2469 H2O O1 4 -0.847600 15.9994 0 - 9422 H2O 2469 H2O H1 3 0.423800 1.0079 0 - 9423 H2O 2469 H2O H2 3 0.423800 1.0079 0 - 9424 H2O 2470 H2O O1 4 -0.847600 15.9994 0 - 9425 H2O 2470 H2O H1 3 0.423800 1.0079 0 - 9426 H2O 2470 H2O H2 3 0.423800 1.0079 0 - 9427 H2O 2471 H2O O1 4 -0.847600 15.9994 0 - 9428 H2O 2471 H2O H1 3 0.423800 1.0079 0 - 9429 H2O 2471 H2O H2 3 0.423800 1.0079 0 - 9430 H2O 2472 H2O O1 4 -0.847600 15.9994 0 - 9431 H2O 2472 H2O H1 3 0.423800 1.0079 0 - 9432 H2O 2472 H2O H2 3 0.423800 1.0079 0 - 9433 H2O 2473 H2O O1 4 -0.847600 15.9994 0 - 9434 H2O 2473 H2O H1 3 0.423800 1.0079 0 - 9435 H2O 2473 H2O H2 3 0.423800 1.0079 0 - 9436 H2O 2474 H2O O1 4 -0.847600 15.9994 0 - 9437 H2O 2474 H2O H1 3 0.423800 1.0079 0 - 9438 H2O 2474 H2O H2 3 0.423800 1.0079 0 - 9439 H2O 2475 H2O O1 4 -0.847600 15.9994 0 - 9440 H2O 2475 H2O H1 3 0.423800 1.0079 0 - 9441 H2O 2475 H2O H2 3 0.423800 1.0079 0 - 9442 H2O 2476 H2O O1 4 -0.847600 15.9994 0 - 9443 H2O 2476 H2O H1 3 0.423800 1.0079 0 - 9444 H2O 2476 H2O H2 3 0.423800 1.0079 0 - 9445 H2O 2477 H2O O1 4 -0.847600 15.9994 0 - 9446 H2O 2477 H2O H1 3 0.423800 1.0079 0 - 9447 H2O 2477 H2O H2 3 0.423800 1.0079 0 - 9448 H2O 2478 H2O O1 4 -0.847600 15.9994 0 - 9449 H2O 2478 H2O H1 3 0.423800 1.0079 0 - 9450 H2O 2478 H2O H2 3 0.423800 1.0079 0 - 9451 H2O 2479 H2O O1 4 -0.847600 15.9994 0 - 9452 H2O 2479 H2O H1 3 0.423800 1.0079 0 - 9453 H2O 2479 H2O H2 3 0.423800 1.0079 0 - 9454 H2O 2480 H2O O1 4 -0.847600 15.9994 0 - 9455 H2O 2480 H2O H1 3 0.423800 1.0079 0 - 9456 H2O 2480 H2O H2 3 0.423800 1.0079 0 - 9457 H2O 2481 H2O O1 4 -0.847600 15.9994 0 - 9458 H2O 2481 H2O H1 3 0.423800 1.0079 0 - 9459 H2O 2481 H2O H2 3 0.423800 1.0079 0 - 9460 H2O 2482 H2O O1 4 -0.847600 15.9994 0 - 9461 H2O 2482 H2O H1 3 0.423800 1.0079 0 - 9462 H2O 2482 H2O H2 3 0.423800 1.0079 0 - 9463 H2O 2483 H2O O1 4 -0.847600 15.9994 0 - 9464 H2O 2483 H2O H1 3 0.423800 1.0079 0 - 9465 H2O 2483 H2O H2 3 0.423800 1.0079 0 - 9466 H2O 2484 H2O O1 4 -0.847600 15.9994 0 - 9467 H2O 2484 H2O H1 3 0.423800 1.0079 0 - 9468 H2O 2484 H2O H2 3 0.423800 1.0079 0 - 9469 H2O 2485 H2O O1 4 -0.847600 15.9994 0 - 9470 H2O 2485 H2O H1 3 0.423800 1.0079 0 - 9471 H2O 2485 H2O H2 3 0.423800 1.0079 0 - 9472 H2O 2486 H2O O1 4 -0.847600 15.9994 0 - 9473 H2O 2486 H2O H1 3 0.423800 1.0079 0 - 9474 H2O 2486 H2O H2 3 0.423800 1.0079 0 - 9475 H2O 2487 H2O O1 4 -0.847600 15.9994 0 - 9476 H2O 2487 H2O H1 3 0.423800 1.0079 0 - 9477 H2O 2487 H2O H2 3 0.423800 1.0079 0 - 9478 H2O 2488 H2O O1 4 -0.847600 15.9994 0 - 9479 H2O 2488 H2O H1 3 0.423800 1.0079 0 - 9480 H2O 2488 H2O H2 3 0.423800 1.0079 0 - 9481 H2O 2489 H2O O1 4 -0.847600 15.9994 0 - 9482 H2O 2489 H2O H1 3 0.423800 1.0079 0 - 9483 H2O 2489 H2O H2 3 0.423800 1.0079 0 - 9484 H2O 2490 H2O O1 4 -0.847600 15.9994 0 - 9485 H2O 2490 H2O H1 3 0.423800 1.0079 0 - 9486 H2O 2490 H2O H2 3 0.423800 1.0079 0 - 9487 H2O 2491 H2O O1 4 -0.847600 15.9994 0 - 9488 H2O 2491 H2O H1 3 0.423800 1.0079 0 - 9489 H2O 2491 H2O H2 3 0.423800 1.0079 0 - 9490 H2O 2492 H2O O1 4 -0.847600 15.9994 0 - 9491 H2O 2492 H2O H1 3 0.423800 1.0079 0 - 9492 H2O 2492 H2O H2 3 0.423800 1.0079 0 - 9493 H2O 2493 H2O O1 4 -0.847600 15.9994 0 - 9494 H2O 2493 H2O H1 3 0.423800 1.0079 0 - 9495 H2O 2493 H2O H2 3 0.423800 1.0079 0 - 9496 H2O 2494 H2O O1 4 -0.847600 15.9994 0 - 9497 H2O 2494 H2O H1 3 0.423800 1.0079 0 - 9498 H2O 2494 H2O H2 3 0.423800 1.0079 0 - 9499 H2O 2495 H2O O1 4 -0.847600 15.9994 0 - 9500 H2O 2495 H2O H1 3 0.423800 1.0079 0 - 9501 H2O 2495 H2O H2 3 0.423800 1.0079 0 - 9502 H2O 2496 H2O O1 4 -0.847600 15.9994 0 - 9503 H2O 2496 H2O H1 3 0.423800 1.0079 0 - 9504 H2O 2496 H2O H2 3 0.423800 1.0079 0 - 9505 H2O 2497 H2O O1 4 -0.847600 15.9994 0 - 9506 H2O 2497 H2O H1 3 0.423800 1.0079 0 - 9507 H2O 2497 H2O H2 3 0.423800 1.0079 0 - 9508 H2O 2498 H2O O1 4 -0.847600 15.9994 0 - 9509 H2O 2498 H2O H1 3 0.423800 1.0079 0 - 9510 H2O 2498 H2O H2 3 0.423800 1.0079 0 - 9511 H2O 2499 H2O O1 4 -0.847600 15.9994 0 - 9512 H2O 2499 H2O H1 3 0.423800 1.0079 0 - 9513 H2O 2499 H2O H2 3 0.423800 1.0079 0 - 9514 H2O 2500 H2O O1 4 -0.847600 15.9994 0 - 9515 H2O 2500 H2O H1 3 0.423800 1.0079 0 - 9516 H2O 2500 H2O H2 3 0.423800 1.0079 0 - 9517 H2O 2501 H2O O1 4 -0.847600 15.9994 0 - 9518 H2O 2501 H2O H1 3 0.423800 1.0079 0 - 9519 H2O 2501 H2O H2 3 0.423800 1.0079 0 - 9520 H2O 2502 H2O O1 4 -0.847600 15.9994 0 - 9521 H2O 2502 H2O H1 3 0.423800 1.0079 0 - 9522 H2O 2502 H2O H2 3 0.423800 1.0079 0 - 9523 H2O 2503 H2O O1 4 -0.847600 15.9994 0 - 9524 H2O 2503 H2O H1 3 0.423800 1.0079 0 - 9525 H2O 2503 H2O H2 3 0.423800 1.0079 0 - 9526 H2O 2504 H2O O1 4 -0.847600 15.9994 0 - 9527 H2O 2504 H2O H1 3 0.423800 1.0079 0 - 9528 H2O 2504 H2O H2 3 0.423800 1.0079 0 - 9529 H2O 2505 H2O O1 4 -0.847600 15.9994 0 - 9530 H2O 2505 H2O H1 3 0.423800 1.0079 0 - 9531 H2O 2505 H2O H2 3 0.423800 1.0079 0 - 9532 H2O 2506 H2O O1 4 -0.847600 15.9994 0 - 9533 H2O 2506 H2O H1 3 0.423800 1.0079 0 - 9534 H2O 2506 H2O H2 3 0.423800 1.0079 0 - 9535 H2O 2507 H2O O1 4 -0.847600 15.9994 0 - 9536 H2O 2507 H2O H1 3 0.423800 1.0079 0 - 9537 H2O 2507 H2O H2 3 0.423800 1.0079 0 - 9538 H2O 2508 H2O O1 4 -0.847600 15.9994 0 - 9539 H2O 2508 H2O H1 3 0.423800 1.0079 0 - 9540 H2O 2508 H2O H2 3 0.423800 1.0079 0 - 9541 H2O 2509 H2O O1 4 -0.847600 15.9994 0 - 9542 H2O 2509 H2O H1 3 0.423800 1.0079 0 - 9543 H2O 2509 H2O H2 3 0.423800 1.0079 0 - 9544 H2O 2510 H2O O1 4 -0.847600 15.9994 0 - 9545 H2O 2510 H2O H1 3 0.423800 1.0079 0 - 9546 H2O 2510 H2O H2 3 0.423800 1.0079 0 - 9547 H2O 2511 H2O O1 4 -0.847600 15.9994 0 - 9548 H2O 2511 H2O H1 3 0.423800 1.0079 0 - 9549 H2O 2511 H2O H2 3 0.423800 1.0079 0 - 9550 H2O 2512 H2O O1 4 -0.847600 15.9994 0 - 9551 H2O 2512 H2O H1 3 0.423800 1.0079 0 - 9552 H2O 2512 H2O H2 3 0.423800 1.0079 0 - 9553 H2O 2513 H2O O1 4 -0.847600 15.9994 0 - 9554 H2O 2513 H2O H1 3 0.423800 1.0079 0 - 9555 H2O 2513 H2O H2 3 0.423800 1.0079 0 - 9556 H2O 2514 H2O O1 4 -0.847600 15.9994 0 - 9557 H2O 2514 H2O H1 3 0.423800 1.0079 0 - 9558 H2O 2514 H2O H2 3 0.423800 1.0079 0 - 9559 H2O 2515 H2O O1 4 -0.847600 15.9994 0 - 9560 H2O 2515 H2O H1 3 0.423800 1.0079 0 - 9561 H2O 2515 H2O H2 3 0.423800 1.0079 0 - 9562 H2O 2516 H2O O1 4 -0.847600 15.9994 0 - 9563 H2O 2516 H2O H1 3 0.423800 1.0079 0 - 9564 H2O 2516 H2O H2 3 0.423800 1.0079 0 - 9565 H2O 2517 H2O O1 4 -0.847600 15.9994 0 - 9566 H2O 2517 H2O H1 3 0.423800 1.0079 0 - 9567 H2O 2517 H2O H2 3 0.423800 1.0079 0 - 9568 H2O 2518 H2O O1 4 -0.847600 15.9994 0 - 9569 H2O 2518 H2O H1 3 0.423800 1.0079 0 - 9570 H2O 2518 H2O H2 3 0.423800 1.0079 0 - 9571 H2O 2519 H2O O1 4 -0.847600 15.9994 0 - 9572 H2O 2519 H2O H1 3 0.423800 1.0079 0 - 9573 H2O 2519 H2O H2 3 0.423800 1.0079 0 - 9574 H2O 2520 H2O O1 4 -0.847600 15.9994 0 - 9575 H2O 2520 H2O H1 3 0.423800 1.0079 0 - 9576 H2O 2520 H2O H2 3 0.423800 1.0079 0 - 9577 H2O 2521 H2O O1 4 -0.847600 15.9994 0 - 9578 H2O 2521 H2O H1 3 0.423800 1.0079 0 - 9579 H2O 2521 H2O H2 3 0.423800 1.0079 0 - 9580 H2O 2522 H2O O1 4 -0.847600 15.9994 0 - 9581 H2O 2522 H2O H1 3 0.423800 1.0079 0 - 9582 H2O 2522 H2O H2 3 0.423800 1.0079 0 - 9583 H2O 2523 H2O O1 4 -0.847600 15.9994 0 - 9584 H2O 2523 H2O H1 3 0.423800 1.0079 0 - 9585 H2O 2523 H2O H2 3 0.423800 1.0079 0 - 9586 H2O 2524 H2O O1 4 -0.847600 15.9994 0 - 9587 H2O 2524 H2O H1 3 0.423800 1.0079 0 - 9588 H2O 2524 H2O H2 3 0.423800 1.0079 0 - 9589 H2O 2525 H2O O1 4 -0.847600 15.9994 0 - 9590 H2O 2525 H2O H1 3 0.423800 1.0079 0 - 9591 H2O 2525 H2O H2 3 0.423800 1.0079 0 - 9592 H2O 2526 H2O O1 4 -0.847600 15.9994 0 - 9593 H2O 2526 H2O H1 3 0.423800 1.0079 0 - 9594 H2O 2526 H2O H2 3 0.423800 1.0079 0 - 9595 H2O 2527 H2O O1 4 -0.847600 15.9994 0 - 9596 H2O 2527 H2O H1 3 0.423800 1.0079 0 - 9597 H2O 2527 H2O H2 3 0.423800 1.0079 0 - 9598 H2O 2528 H2O O1 4 -0.847600 15.9994 0 - 9599 H2O 2528 H2O H1 3 0.423800 1.0079 0 - 9600 H2O 2528 H2O H2 3 0.423800 1.0079 0 - 9601 H2O 2529 H2O O1 4 -0.847600 15.9994 0 - 9602 H2O 2529 H2O H1 3 0.423800 1.0079 0 - 9603 H2O 2529 H2O H2 3 0.423800 1.0079 0 - 9604 H2O 2530 H2O O1 4 -0.847600 15.9994 0 - 9605 H2O 2530 H2O H1 3 0.423800 1.0079 0 - 9606 H2O 2530 H2O H2 3 0.423800 1.0079 0 - 9607 H2O 2531 H2O O1 4 -0.847600 15.9994 0 - 9608 H2O 2531 H2O H1 3 0.423800 1.0079 0 - 9609 H2O 2531 H2O H2 3 0.423800 1.0079 0 - 9610 H2O 2532 H2O O1 4 -0.847600 15.9994 0 - 9611 H2O 2532 H2O H1 3 0.423800 1.0079 0 - 9612 H2O 2532 H2O H2 3 0.423800 1.0079 0 - 9613 H2O 2533 H2O O1 4 -0.847600 15.9994 0 - 9614 H2O 2533 H2O H1 3 0.423800 1.0079 0 - 9615 H2O 2533 H2O H2 3 0.423800 1.0079 0 - 9616 H2O 2534 H2O O1 4 -0.847600 15.9994 0 - 9617 H2O 2534 H2O H1 3 0.423800 1.0079 0 - 9618 H2O 2534 H2O H2 3 0.423800 1.0079 0 - 9619 H2O 2535 H2O O1 4 -0.847600 15.9994 0 - 9620 H2O 2535 H2O H1 3 0.423800 1.0079 0 - 9621 H2O 2535 H2O H2 3 0.423800 1.0079 0 - 9622 H2O 2536 H2O O1 4 -0.847600 15.9994 0 - 9623 H2O 2536 H2O H1 3 0.423800 1.0079 0 - 9624 H2O 2536 H2O H2 3 0.423800 1.0079 0 - 9625 H2O 2537 H2O O1 4 -0.847600 15.9994 0 - 9626 H2O 2537 H2O H1 3 0.423800 1.0079 0 - 9627 H2O 2537 H2O H2 3 0.423800 1.0079 0 - 9628 H2O 2538 H2O O1 4 -0.847600 15.9994 0 - 9629 H2O 2538 H2O H1 3 0.423800 1.0079 0 - 9630 H2O 2538 H2O H2 3 0.423800 1.0079 0 - 9631 H2O 2539 H2O O1 4 -0.847600 15.9994 0 - 9632 H2O 2539 H2O H1 3 0.423800 1.0079 0 - 9633 H2O 2539 H2O H2 3 0.423800 1.0079 0 - 9634 H2O 2540 H2O O1 4 -0.847600 15.9994 0 - 9635 H2O 2540 H2O H1 3 0.423800 1.0079 0 - 9636 H2O 2540 H2O H2 3 0.423800 1.0079 0 - 9637 H2O 2541 H2O O1 4 -0.847600 15.9994 0 - 9638 H2O 2541 H2O H1 3 0.423800 1.0079 0 - 9639 H2O 2541 H2O H2 3 0.423800 1.0079 0 - 9640 H2O 2542 H2O O1 4 -0.847600 15.9994 0 - 9641 H2O 2542 H2O H1 3 0.423800 1.0079 0 - 9642 H2O 2542 H2O H2 3 0.423800 1.0079 0 - 9643 H2O 2543 H2O O1 4 -0.847600 15.9994 0 - 9644 H2O 2543 H2O H1 3 0.423800 1.0079 0 - 9645 H2O 2543 H2O H2 3 0.423800 1.0079 0 - 9646 H2O 2544 H2O O1 4 -0.847600 15.9994 0 - 9647 H2O 2544 H2O H1 3 0.423800 1.0079 0 - 9648 H2O 2544 H2O H2 3 0.423800 1.0079 0 - 9649 H2O 2545 H2O O1 4 -0.847600 15.9994 0 - 9650 H2O 2545 H2O H1 3 0.423800 1.0079 0 - 9651 H2O 2545 H2O H2 3 0.423800 1.0079 0 - 9652 H2O 2546 H2O O1 4 -0.847600 15.9994 0 - 9653 H2O 2546 H2O H1 3 0.423800 1.0079 0 - 9654 H2O 2546 H2O H2 3 0.423800 1.0079 0 - 9655 H2O 2547 H2O O1 4 -0.847600 15.9994 0 - 9656 H2O 2547 H2O H1 3 0.423800 1.0079 0 - 9657 H2O 2547 H2O H2 3 0.423800 1.0079 0 - 9658 H2O 2548 H2O O1 4 -0.847600 15.9994 0 - 9659 H2O 2548 H2O H1 3 0.423800 1.0079 0 - 9660 H2O 2548 H2O H2 3 0.423800 1.0079 0 - 9661 H2O 2549 H2O O1 4 -0.847600 15.9994 0 - 9662 H2O 2549 H2O H1 3 0.423800 1.0079 0 - 9663 H2O 2549 H2O H2 3 0.423800 1.0079 0 - 9664 H2O 2550 H2O O1 4 -0.847600 15.9994 0 - 9665 H2O 2550 H2O H1 3 0.423800 1.0079 0 - 9666 H2O 2550 H2O H2 3 0.423800 1.0079 0 - 9667 H2O 2551 H2O O1 4 -0.847600 15.9994 0 - 9668 H2O 2551 H2O H1 3 0.423800 1.0079 0 - 9669 H2O 2551 H2O H2 3 0.423800 1.0079 0 - 9670 H2O 2552 H2O O1 4 -0.847600 15.9994 0 - 9671 H2O 2552 H2O H1 3 0.423800 1.0079 0 - 9672 H2O 2552 H2O H2 3 0.423800 1.0079 0 - 9673 H2O 2553 H2O O1 4 -0.847600 15.9994 0 - 9674 H2O 2553 H2O H1 3 0.423800 1.0079 0 - 9675 H2O 2553 H2O H2 3 0.423800 1.0079 0 - 9676 H2O 2554 H2O O1 4 -0.847600 15.9994 0 - 9677 H2O 2554 H2O H1 3 0.423800 1.0079 0 - 9678 H2O 2554 H2O H2 3 0.423800 1.0079 0 - 9679 H2O 2555 H2O O1 4 -0.847600 15.9994 0 - 9680 H2O 2555 H2O H1 3 0.423800 1.0079 0 - 9681 H2O 2555 H2O H2 3 0.423800 1.0079 0 - 9682 H2O 2556 H2O O1 4 -0.847600 15.9994 0 - 9683 H2O 2556 H2O H1 3 0.423800 1.0079 0 - 9684 H2O 2556 H2O H2 3 0.423800 1.0079 0 - 9685 H2O 2557 H2O O1 4 -0.847600 15.9994 0 - 9686 H2O 2557 H2O H1 3 0.423800 1.0079 0 - 9687 H2O 2557 H2O H2 3 0.423800 1.0079 0 - 9688 H2O 2558 H2O O1 4 -0.847600 15.9994 0 - 9689 H2O 2558 H2O H1 3 0.423800 1.0079 0 - 9690 H2O 2558 H2O H2 3 0.423800 1.0079 0 - 9691 H2O 2559 H2O O1 4 -0.847600 15.9994 0 - 9692 H2O 2559 H2O H1 3 0.423800 1.0079 0 - 9693 H2O 2559 H2O H2 3 0.423800 1.0079 0 - 9694 H2O 2560 H2O O1 4 -0.847600 15.9994 0 - 9695 H2O 2560 H2O H1 3 0.423800 1.0079 0 - 9696 H2O 2560 H2O H2 3 0.423800 1.0079 0 - 9697 H2O 2561 H2O O1 4 -0.847600 15.9994 0 - 9698 H2O 2561 H2O H1 3 0.423800 1.0079 0 - 9699 H2O 2561 H2O H2 3 0.423800 1.0079 0 - 9700 H2O 2562 H2O O1 4 -0.847600 15.9994 0 - 9701 H2O 2562 H2O H1 3 0.423800 1.0079 0 - 9702 H2O 2562 H2O H2 3 0.423800 1.0079 0 - 9703 H2O 2563 H2O O1 4 -0.847600 15.9994 0 - 9704 H2O 2563 H2O H1 3 0.423800 1.0079 0 - 9705 H2O 2563 H2O H2 3 0.423800 1.0079 0 - 9706 H2O 2564 H2O O1 4 -0.847600 15.9994 0 - 9707 H2O 2564 H2O H1 3 0.423800 1.0079 0 - 9708 H2O 2564 H2O H2 3 0.423800 1.0079 0 - 9709 H2O 2565 H2O O1 4 -0.847600 15.9994 0 - 9710 H2O 2565 H2O H1 3 0.423800 1.0079 0 - 9711 H2O 2565 H2O H2 3 0.423800 1.0079 0 - 9712 H2O 2566 H2O O1 4 -0.847600 15.9994 0 - 9713 H2O 2566 H2O H1 3 0.423800 1.0079 0 - 9714 H2O 2566 H2O H2 3 0.423800 1.0079 0 - 9715 H2O 2567 H2O O1 4 -0.847600 15.9994 0 - 9716 H2O 2567 H2O H1 3 0.423800 1.0079 0 - 9717 H2O 2567 H2O H2 3 0.423800 1.0079 0 - 9718 H2O 2568 H2O O1 4 -0.847600 15.9994 0 - 9719 H2O 2568 H2O H1 3 0.423800 1.0079 0 - 9720 H2O 2568 H2O H2 3 0.423800 1.0079 0 - 9721 H2O 2569 H2O O1 4 -0.847600 15.9994 0 - 9722 H2O 2569 H2O H1 3 0.423800 1.0079 0 - 9723 H2O 2569 H2O H2 3 0.423800 1.0079 0 - 9724 H2O 2570 H2O O1 4 -0.847600 15.9994 0 - 9725 H2O 2570 H2O H1 3 0.423800 1.0079 0 - 9726 H2O 2570 H2O H2 3 0.423800 1.0079 0 - 9727 H2O 2571 H2O O1 4 -0.847600 15.9994 0 - 9728 H2O 2571 H2O H1 3 0.423800 1.0079 0 - 9729 H2O 2571 H2O H2 3 0.423800 1.0079 0 - 9730 H2O 2572 H2O O1 4 -0.847600 15.9994 0 - 9731 H2O 2572 H2O H1 3 0.423800 1.0079 0 - 9732 H2O 2572 H2O H2 3 0.423800 1.0079 0 - 9733 H2O 2573 H2O O1 4 -0.847600 15.9994 0 - 9734 H2O 2573 H2O H1 3 0.423800 1.0079 0 - 9735 H2O 2573 H2O H2 3 0.423800 1.0079 0 - 9736 H2O 2574 H2O O1 4 -0.847600 15.9994 0 - 9737 H2O 2574 H2O H1 3 0.423800 1.0079 0 - 9738 H2O 2574 H2O H2 3 0.423800 1.0079 0 - 9739 H2O 2575 H2O O1 4 -0.847600 15.9994 0 - 9740 H2O 2575 H2O H1 3 0.423800 1.0079 0 - 9741 H2O 2575 H2O H2 3 0.423800 1.0079 0 - 9742 H2O 2576 H2O O1 4 -0.847600 15.9994 0 - 9743 H2O 2576 H2O H1 3 0.423800 1.0079 0 - 9744 H2O 2576 H2O H2 3 0.423800 1.0079 0 - 9745 H2O 2577 H2O O1 4 -0.847600 15.9994 0 - 9746 H2O 2577 H2O H1 3 0.423800 1.0079 0 - 9747 H2O 2577 H2O H2 3 0.423800 1.0079 0 - 9748 H2O 2578 H2O O1 4 -0.847600 15.9994 0 - 9749 H2O 2578 H2O H1 3 0.423800 1.0079 0 - 9750 H2O 2578 H2O H2 3 0.423800 1.0079 0 - 9751 H2O 2579 H2O O1 4 -0.847600 15.9994 0 - 9752 H2O 2579 H2O H1 3 0.423800 1.0079 0 - 9753 H2O 2579 H2O H2 3 0.423800 1.0079 0 - 9754 H2O 2580 H2O O1 4 -0.847600 15.9994 0 - 9755 H2O 2580 H2O H1 3 0.423800 1.0079 0 - 9756 H2O 2580 H2O H2 3 0.423800 1.0079 0 - 9757 H2O 2581 H2O O1 4 -0.847600 15.9994 0 - 9758 H2O 2581 H2O H1 3 0.423800 1.0079 0 - 9759 H2O 2581 H2O H2 3 0.423800 1.0079 0 - 9760 H2O 2582 H2O O1 4 -0.847600 15.9994 0 - 9761 H2O 2582 H2O H1 3 0.423800 1.0079 0 - 9762 H2O 2582 H2O H2 3 0.423800 1.0079 0 - 9763 H2O 2583 H2O O1 4 -0.847600 15.9994 0 - 9764 H2O 2583 H2O H1 3 0.423800 1.0079 0 - 9765 H2O 2583 H2O H2 3 0.423800 1.0079 0 - 9766 H2O 2584 H2O O1 4 -0.847600 15.9994 0 - 9767 H2O 2584 H2O H1 3 0.423800 1.0079 0 - 9768 H2O 2584 H2O H2 3 0.423800 1.0079 0 - 9769 H2O 2585 H2O O1 4 -0.847600 15.9994 0 - 9770 H2O 2585 H2O H1 3 0.423800 1.0079 0 - 9771 H2O 2585 H2O H2 3 0.423800 1.0079 0 - 9772 H2O 2586 H2O O1 4 -0.847600 15.9994 0 - 9773 H2O 2586 H2O H1 3 0.423800 1.0079 0 - 9774 H2O 2586 H2O H2 3 0.423800 1.0079 0 - 9775 H2O 2587 H2O O1 4 -0.847600 15.9994 0 - 9776 H2O 2587 H2O H1 3 0.423800 1.0079 0 - 9777 H2O 2587 H2O H2 3 0.423800 1.0079 0 - 9778 H2O 2588 H2O O1 4 -0.847600 15.9994 0 - 9779 H2O 2588 H2O H1 3 0.423800 1.0079 0 - 9780 H2O 2588 H2O H2 3 0.423800 1.0079 0 - 9781 H2O 2589 H2O O1 4 -0.847600 15.9994 0 - 9782 H2O 2589 H2O H1 3 0.423800 1.0079 0 - 9783 H2O 2589 H2O H2 3 0.423800 1.0079 0 - 9784 H2O 2590 H2O O1 4 -0.847600 15.9994 0 - 9785 H2O 2590 H2O H1 3 0.423800 1.0079 0 - 9786 H2O 2590 H2O H2 3 0.423800 1.0079 0 - 9787 H2O 2591 H2O O1 4 -0.847600 15.9994 0 - 9788 H2O 2591 H2O H1 3 0.423800 1.0079 0 - 9789 H2O 2591 H2O H2 3 0.423800 1.0079 0 - 9790 H2O 2592 H2O O1 4 -0.847600 15.9994 0 - 9791 H2O 2592 H2O H1 3 0.423800 1.0079 0 - 9792 H2O 2592 H2O H2 3 0.423800 1.0079 0 - 9793 H2O 2593 H2O O1 4 -0.847600 15.9994 0 - 9794 H2O 2593 H2O H1 3 0.423800 1.0079 0 - 9795 H2O 2593 H2O H2 3 0.423800 1.0079 0 - 9796 H2O 2594 H2O O1 4 -0.847600 15.9994 0 - 9797 H2O 2594 H2O H1 3 0.423800 1.0079 0 - 9798 H2O 2594 H2O H2 3 0.423800 1.0079 0 - 9799 H2O 2595 H2O O1 4 -0.847600 15.9994 0 - 9800 H2O 2595 H2O H1 3 0.423800 1.0079 0 - 9801 H2O 2595 H2O H2 3 0.423800 1.0079 0 - 9802 H2O 2596 H2O O1 4 -0.847600 15.9994 0 - 9803 H2O 2596 H2O H1 3 0.423800 1.0079 0 - 9804 H2O 2596 H2O H2 3 0.423800 1.0079 0 - 9805 H2O 2597 H2O O1 4 -0.847600 15.9994 0 - 9806 H2O 2597 H2O H1 3 0.423800 1.0079 0 - 9807 H2O 2597 H2O H2 3 0.423800 1.0079 0 - 9808 H2O 2598 H2O O1 4 -0.847600 15.9994 0 - 9809 H2O 2598 H2O H1 3 0.423800 1.0079 0 - 9810 H2O 2598 H2O H2 3 0.423800 1.0079 0 - 9811 H2O 2599 H2O O1 4 -0.847600 15.9994 0 - 9812 H2O 2599 H2O H1 3 0.423800 1.0079 0 - 9813 H2O 2599 H2O H2 3 0.423800 1.0079 0 - 9814 H2O 2600 H2O O1 4 -0.847600 15.9994 0 - 9815 H2O 2600 H2O H1 3 0.423800 1.0079 0 - 9816 H2O 2600 H2O H2 3 0.423800 1.0079 0 - 9817 H2O 2601 H2O O1 4 -0.847600 15.9994 0 - 9818 H2O 2601 H2O H1 3 0.423800 1.0079 0 - 9819 H2O 2601 H2O H2 3 0.423800 1.0079 0 - 9820 H2O 2602 H2O O1 4 -0.847600 15.9994 0 - 9821 H2O 2602 H2O H1 3 0.423800 1.0079 0 - 9822 H2O 2602 H2O H2 3 0.423800 1.0079 0 - 9823 H2O 2603 H2O O1 4 -0.847600 15.9994 0 - 9824 H2O 2603 H2O H1 3 0.423800 1.0079 0 - 9825 H2O 2603 H2O H2 3 0.423800 1.0079 0 - 9826 H2O 2604 H2O O1 4 -0.847600 15.9994 0 - 9827 H2O 2604 H2O H1 3 0.423800 1.0079 0 - 9828 H2O 2604 H2O H2 3 0.423800 1.0079 0 - 9829 H2O 2605 H2O O1 4 -0.847600 15.9994 0 - 9830 H2O 2605 H2O H1 3 0.423800 1.0079 0 - 9831 H2O 2605 H2O H2 3 0.423800 1.0079 0 - 9832 H2O 2606 H2O O1 4 -0.847600 15.9994 0 - 9833 H2O 2606 H2O H1 3 0.423800 1.0079 0 - 9834 H2O 2606 H2O H2 3 0.423800 1.0079 0 - 9835 H2O 2607 H2O O1 4 -0.847600 15.9994 0 - 9836 H2O 2607 H2O H1 3 0.423800 1.0079 0 - 9837 H2O 2607 H2O H2 3 0.423800 1.0079 0 - 9838 H2O 2608 H2O O1 4 -0.847600 15.9994 0 - 9839 H2O 2608 H2O H1 3 0.423800 1.0079 0 - 9840 H2O 2608 H2O H2 3 0.423800 1.0079 0 - 9841 H2O 2609 H2O O1 4 -0.847600 15.9994 0 - 9842 H2O 2609 H2O H1 3 0.423800 1.0079 0 - 9843 H2O 2609 H2O H2 3 0.423800 1.0079 0 - 9844 H2O 2610 H2O O1 4 -0.847600 15.9994 0 - 9845 H2O 2610 H2O H1 3 0.423800 1.0079 0 - 9846 H2O 2610 H2O H2 3 0.423800 1.0079 0 - 9847 H2O 2611 H2O O1 4 -0.847600 15.9994 0 - 9848 H2O 2611 H2O H1 3 0.423800 1.0079 0 - 9849 H2O 2611 H2O H2 3 0.423800 1.0079 0 - 9850 H2O 2612 H2O O1 4 -0.847600 15.9994 0 - 9851 H2O 2612 H2O H1 3 0.423800 1.0079 0 - 9852 H2O 2612 H2O H2 3 0.423800 1.0079 0 - 9853 H2O 2613 H2O O1 4 -0.847600 15.9994 0 - 9854 H2O 2613 H2O H1 3 0.423800 1.0079 0 - 9855 H2O 2613 H2O H2 3 0.423800 1.0079 0 - 9856 H2O 2614 H2O O1 4 -0.847600 15.9994 0 - 9857 H2O 2614 H2O H1 3 0.423800 1.0079 0 - 9858 H2O 2614 H2O H2 3 0.423800 1.0079 0 - 9859 H2O 2615 H2O O1 4 -0.847600 15.9994 0 - 9860 H2O 2615 H2O H1 3 0.423800 1.0079 0 - 9861 H2O 2615 H2O H2 3 0.423800 1.0079 0 - 9862 H2O 2616 H2O O1 4 -0.847600 15.9994 0 - 9863 H2O 2616 H2O H1 3 0.423800 1.0079 0 - 9864 H2O 2616 H2O H2 3 0.423800 1.0079 0 - 9865 H2O 2617 H2O O1 4 -0.847600 15.9994 0 - 9866 H2O 2617 H2O H1 3 0.423800 1.0079 0 - 9867 H2O 2617 H2O H2 3 0.423800 1.0079 0 - 9868 H2O 2618 H2O O1 4 -0.847600 15.9994 0 - 9869 H2O 2618 H2O H1 3 0.423800 1.0079 0 - 9870 H2O 2618 H2O H2 3 0.423800 1.0079 0 - 9871 H2O 2619 H2O O1 4 -0.847600 15.9994 0 - 9872 H2O 2619 H2O H1 3 0.423800 1.0079 0 - 9873 H2O 2619 H2O H2 3 0.423800 1.0079 0 - 9874 H2O 2620 H2O O1 4 -0.847600 15.9994 0 - 9875 H2O 2620 H2O H1 3 0.423800 1.0079 0 - 9876 H2O 2620 H2O H2 3 0.423800 1.0079 0 - 9877 H2O 2621 H2O O1 4 -0.847600 15.9994 0 - 9878 H2O 2621 H2O H1 3 0.423800 1.0079 0 - 9879 H2O 2621 H2O H2 3 0.423800 1.0079 0 - 9880 H2O 2622 H2O O1 4 -0.847600 15.9994 0 - 9881 H2O 2622 H2O H1 3 0.423800 1.0079 0 - 9882 H2O 2622 H2O H2 3 0.423800 1.0079 0 - 9883 H2O 2623 H2O O1 4 -0.847600 15.9994 0 - 9884 H2O 2623 H2O H1 3 0.423800 1.0079 0 - 9885 H2O 2623 H2O H2 3 0.423800 1.0079 0 - 9886 H2O 2624 H2O O1 4 -0.847600 15.9994 0 - 9887 H2O 2624 H2O H1 3 0.423800 1.0079 0 - 9888 H2O 2624 H2O H2 3 0.423800 1.0079 0 - 9889 H2O 2625 H2O O1 4 -0.847600 15.9994 0 - 9890 H2O 2625 H2O H1 3 0.423800 1.0079 0 - 9891 H2O 2625 H2O H2 3 0.423800 1.0079 0 - 9892 H2O 2626 H2O O1 4 -0.847600 15.9994 0 - 9893 H2O 2626 H2O H1 3 0.423800 1.0079 0 - 9894 H2O 2626 H2O H2 3 0.423800 1.0079 0 - 9895 H2O 2627 H2O O1 4 -0.847600 15.9994 0 - 9896 H2O 2627 H2O H1 3 0.423800 1.0079 0 - 9897 H2O 2627 H2O H2 3 0.423800 1.0079 0 - 9898 H2O 2628 H2O O1 4 -0.847600 15.9994 0 - 9899 H2O 2628 H2O H1 3 0.423800 1.0079 0 - 9900 H2O 2628 H2O H2 3 0.423800 1.0079 0 - 9901 H2O 2629 H2O O1 4 -0.847600 15.9994 0 - 9902 H2O 2629 H2O H1 3 0.423800 1.0079 0 - 9903 H2O 2629 H2O H2 3 0.423800 1.0079 0 - 9904 H2O 2630 H2O O1 4 -0.847600 15.9994 0 - 9905 H2O 2630 H2O H1 3 0.423800 1.0079 0 - 9906 H2O 2630 H2O H2 3 0.423800 1.0079 0 - 9907 H2O 2631 H2O O1 4 -0.847600 15.9994 0 - 9908 H2O 2631 H2O H1 3 0.423800 1.0079 0 - 9909 H2O 2631 H2O H2 3 0.423800 1.0079 0 - 9910 H2O 2632 H2O O1 4 -0.847600 15.9994 0 - 9911 H2O 2632 H2O H1 3 0.423800 1.0079 0 - 9912 H2O 2632 H2O H2 3 0.423800 1.0079 0 - 9913 H2O 2633 H2O O1 4 -0.847600 15.9994 0 - 9914 H2O 2633 H2O H1 3 0.423800 1.0079 0 - 9915 H2O 2633 H2O H2 3 0.423800 1.0079 0 - 9916 H2O 2634 H2O O1 4 -0.847600 15.9994 0 - 9917 H2O 2634 H2O H1 3 0.423800 1.0079 0 - 9918 H2O 2634 H2O H2 3 0.423800 1.0079 0 - 9919 H2O 2635 H2O O1 4 -0.847600 15.9994 0 - 9920 H2O 2635 H2O H1 3 0.423800 1.0079 0 - 9921 H2O 2635 H2O H2 3 0.423800 1.0079 0 - 9922 H2O 2636 H2O O1 4 -0.847600 15.9994 0 - 9923 H2O 2636 H2O H1 3 0.423800 1.0079 0 - 9924 H2O 2636 H2O H2 3 0.423800 1.0079 0 - 9925 H2O 2637 H2O O1 4 -0.847600 15.9994 0 - 9926 H2O 2637 H2O H1 3 0.423800 1.0079 0 - 9927 H2O 2637 H2O H2 3 0.423800 1.0079 0 - 9928 H2O 2638 H2O O1 4 -0.847600 15.9994 0 - 9929 H2O 2638 H2O H1 3 0.423800 1.0079 0 - 9930 H2O 2638 H2O H2 3 0.423800 1.0079 0 - 9931 H2O 2639 H2O O1 4 -0.847600 15.9994 0 - 9932 H2O 2639 H2O H1 3 0.423800 1.0079 0 - 9933 H2O 2639 H2O H2 3 0.423800 1.0079 0 - 9934 H2O 2640 H2O O1 4 -0.847600 15.9994 0 - 9935 H2O 2640 H2O H1 3 0.423800 1.0079 0 - 9936 H2O 2640 H2O H2 3 0.423800 1.0079 0 - 9937 H2O 2641 H2O O1 4 -0.847600 15.9994 0 - 9938 H2O 2641 H2O H1 3 0.423800 1.0079 0 - 9939 H2O 2641 H2O H2 3 0.423800 1.0079 0 - 9940 H2O 2642 H2O O1 4 -0.847600 15.9994 0 - 9941 H2O 2642 H2O H1 3 0.423800 1.0079 0 - 9942 H2O 2642 H2O H2 3 0.423800 1.0079 0 - 9943 H2O 2643 H2O O1 4 -0.847600 15.9994 0 - 9944 H2O 2643 H2O H1 3 0.423800 1.0079 0 - 9945 H2O 2643 H2O H2 3 0.423800 1.0079 0 - 9946 H2O 2644 H2O O1 4 -0.847600 15.9994 0 - 9947 H2O 2644 H2O H1 3 0.423800 1.0079 0 - 9948 H2O 2644 H2O H2 3 0.423800 1.0079 0 - 9949 H2O 2645 H2O O1 4 -0.847600 15.9994 0 - 9950 H2O 2645 H2O H1 3 0.423800 1.0079 0 - 9951 H2O 2645 H2O H2 3 0.423800 1.0079 0 - 9952 H2O 2646 H2O O1 4 -0.847600 15.9994 0 - 9953 H2O 2646 H2O H1 3 0.423800 1.0079 0 - 9954 H2O 2646 H2O H2 3 0.423800 1.0079 0 - 9955 H2O 2647 H2O O1 4 -0.847600 15.9994 0 - 9956 H2O 2647 H2O H1 3 0.423800 1.0079 0 - 9957 H2O 2647 H2O H2 3 0.423800 1.0079 0 - 9958 H2O 2648 H2O O1 4 -0.847600 15.9994 0 - 9959 H2O 2648 H2O H1 3 0.423800 1.0079 0 - 9960 H2O 2648 H2O H2 3 0.423800 1.0079 0 - 9961 H2O 2649 H2O O1 4 -0.847600 15.9994 0 - 9962 H2O 2649 H2O H1 3 0.423800 1.0079 0 - 9963 H2O 2649 H2O H2 3 0.423800 1.0079 0 - 9964 H2O 2650 H2O O1 4 -0.847600 15.9994 0 - 9965 H2O 2650 H2O H1 3 0.423800 1.0079 0 - 9966 H2O 2650 H2O H2 3 0.423800 1.0079 0 - 9967 H2O 2651 H2O O1 4 -0.847600 15.9994 0 - 9968 H2O 2651 H2O H1 3 0.423800 1.0079 0 - 9969 H2O 2651 H2O H2 3 0.423800 1.0079 0 - 9970 H2O 2652 H2O O1 4 -0.847600 15.9994 0 - 9971 H2O 2652 H2O H1 3 0.423800 1.0079 0 - 9972 H2O 2652 H2O H2 3 0.423800 1.0079 0 - 9973 H2O 2653 H2O O1 4 -0.847600 15.9994 0 - 9974 H2O 2653 H2O H1 3 0.423800 1.0079 0 - 9975 H2O 2653 H2O H2 3 0.423800 1.0079 0 - 9976 H2O 2654 H2O O1 4 -0.847600 15.9994 0 - 9977 H2O 2654 H2O H1 3 0.423800 1.0079 0 - 9978 H2O 2654 H2O H2 3 0.423800 1.0079 0 - 9979 H2O 2655 H2O O1 4 -0.847600 15.9994 0 - 9980 H2O 2655 H2O H1 3 0.423800 1.0079 0 - 9981 H2O 2655 H2O H2 3 0.423800 1.0079 0 - 9982 H2O 2656 H2O O1 4 -0.847600 15.9994 0 - 9983 H2O 2656 H2O H1 3 0.423800 1.0079 0 - 9984 H2O 2656 H2O H2 3 0.423800 1.0079 0 - 9985 H2O 2657 H2O O1 4 -0.847600 15.9994 0 - 9986 H2O 2657 H2O H1 3 0.423800 1.0079 0 - 9987 H2O 2657 H2O H2 3 0.423800 1.0079 0 - 9988 H2O 2658 H2O O1 4 -0.847600 15.9994 0 - 9989 H2O 2658 H2O H1 3 0.423800 1.0079 0 - 9990 H2O 2658 H2O H2 3 0.423800 1.0079 0 - 9991 H2O 2659 H2O O1 4 -0.847600 15.9994 0 - 9992 H2O 2659 H2O H1 3 0.423800 1.0079 0 - 9993 H2O 2659 H2O H2 3 0.423800 1.0079 0 - 9994 H2O 2660 H2O O1 4 -0.847600 15.9994 0 - 9995 H2O 2660 H2O H1 3 0.423800 1.0079 0 - 9996 H2O 2660 H2O H2 3 0.423800 1.0079 0 - 9997 H2O 2661 H2O O1 4 -0.847600 15.9994 0 - 9998 H2O 2661 H2O H1 3 0.423800 1.0079 0 - 9999 H2O 2661 H2O H2 3 0.423800 1.0079 0 - 10000 H2O 2662 H2O O1 4 -0.847600 15.9994 0 - 10001 H2O 2662 H2O H1 3 0.423800 1.0079 0 - 10002 H2O 2662 H2O H2 3 0.423800 1.0079 0 - 10003 H2O 2663 H2O O1 4 -0.847600 15.9994 0 - 10004 H2O 2663 H2O H1 3 0.423800 1.0079 0 - 10005 H2O 2663 H2O H2 3 0.423800 1.0079 0 - 10006 H2O 2664 H2O O1 4 -0.847600 15.9994 0 - 10007 H2O 2664 H2O H1 3 0.423800 1.0079 0 - 10008 H2O 2664 H2O H2 3 0.423800 1.0079 0 - 10009 H2O 2665 H2O O1 4 -0.847600 15.9994 0 - 10010 H2O 2665 H2O H1 3 0.423800 1.0079 0 - 10011 H2O 2665 H2O H2 3 0.423800 1.0079 0 - 10012 H2O 2666 H2O O1 4 -0.847600 15.9994 0 - 10013 H2O 2666 H2O H1 3 0.423800 1.0079 0 - 10014 H2O 2666 H2O H2 3 0.423800 1.0079 0 - 10015 H2O 2667 H2O O1 4 -0.847600 15.9994 0 - 10016 H2O 2667 H2O H1 3 0.423800 1.0079 0 - 10017 H2O 2667 H2O H2 3 0.423800 1.0079 0 - 10018 H2O 2668 H2O O1 4 -0.847600 15.9994 0 - 10019 H2O 2668 H2O H1 3 0.423800 1.0079 0 - 10020 H2O 2668 H2O H2 3 0.423800 1.0079 0 - 10021 H2O 2669 H2O O1 4 -0.847600 15.9994 0 - 10022 H2O 2669 H2O H1 3 0.423800 1.0079 0 - 10023 H2O 2669 H2O H2 3 0.423800 1.0079 0 - 10024 H2O 2670 H2O O1 4 -0.847600 15.9994 0 - 10025 H2O 2670 H2O H1 3 0.423800 1.0079 0 - 10026 H2O 2670 H2O H2 3 0.423800 1.0079 0 - 10027 H2O 2671 H2O O1 4 -0.847600 15.9994 0 - 10028 H2O 2671 H2O H1 3 0.423800 1.0079 0 - 10029 H2O 2671 H2O H2 3 0.423800 1.0079 0 - 10030 H2O 2672 H2O O1 4 -0.847600 15.9994 0 - 10031 H2O 2672 H2O H1 3 0.423800 1.0079 0 - 10032 H2O 2672 H2O H2 3 0.423800 1.0079 0 - 10033 H2O 2673 H2O O1 4 -0.847600 15.9994 0 - 10034 H2O 2673 H2O H1 3 0.423800 1.0079 0 - 10035 H2O 2673 H2O H2 3 0.423800 1.0079 0 - 10036 H2O 2674 H2O O1 4 -0.847600 15.9994 0 - 10037 H2O 2674 H2O H1 3 0.423800 1.0079 0 - 10038 H2O 2674 H2O H2 3 0.423800 1.0079 0 - 10039 H2O 2675 H2O O1 4 -0.847600 15.9994 0 - 10040 H2O 2675 H2O H1 3 0.423800 1.0079 0 - 10041 H2O 2675 H2O H2 3 0.423800 1.0079 0 - 10042 H2O 2676 H2O O1 4 -0.847600 15.9994 0 - 10043 H2O 2676 H2O H1 3 0.423800 1.0079 0 - 10044 H2O 2676 H2O H2 3 0.423800 1.0079 0 - 10045 H2O 2677 H2O O1 4 -0.847600 15.9994 0 - 10046 H2O 2677 H2O H1 3 0.423800 1.0079 0 - 10047 H2O 2677 H2O H2 3 0.423800 1.0079 0 - 10048 H2O 2678 H2O O1 4 -0.847600 15.9994 0 - 10049 H2O 2678 H2O H1 3 0.423800 1.0079 0 - 10050 H2O 2678 H2O H2 3 0.423800 1.0079 0 - 10051 H2O 2679 H2O O1 4 -0.847600 15.9994 0 - 10052 H2O 2679 H2O H1 3 0.423800 1.0079 0 - 10053 H2O 2679 H2O H2 3 0.423800 1.0079 0 - 10054 H2O 2680 H2O O1 4 -0.847600 15.9994 0 - 10055 H2O 2680 H2O H1 3 0.423800 1.0079 0 - 10056 H2O 2680 H2O H2 3 0.423800 1.0079 0 - 10057 H2O 2681 H2O O1 4 -0.847600 15.9994 0 - 10058 H2O 2681 H2O H1 3 0.423800 1.0079 0 - 10059 H2O 2681 H2O H2 3 0.423800 1.0079 0 - 10060 H2O 2682 H2O O1 4 -0.847600 15.9994 0 - 10061 H2O 2682 H2O H1 3 0.423800 1.0079 0 - 10062 H2O 2682 H2O H2 3 0.423800 1.0079 0 - 10063 H2O 2683 H2O O1 4 -0.847600 15.9994 0 - 10064 H2O 2683 H2O H1 3 0.423800 1.0079 0 - 10065 H2O 2683 H2O H2 3 0.423800 1.0079 0 - 10066 H2O 2684 H2O O1 4 -0.847600 15.9994 0 - 10067 H2O 2684 H2O H1 3 0.423800 1.0079 0 - 10068 H2O 2684 H2O H2 3 0.423800 1.0079 0 - 10069 H2O 2685 H2O O1 4 -0.847600 15.9994 0 - 10070 H2O 2685 H2O H1 3 0.423800 1.0079 0 - 10071 H2O 2685 H2O H2 3 0.423800 1.0079 0 - 10072 H2O 2686 H2O O1 4 -0.847600 15.9994 0 - 10073 H2O 2686 H2O H1 3 0.423800 1.0079 0 - 10074 H2O 2686 H2O H2 3 0.423800 1.0079 0 - 10075 H2O 2687 H2O O1 4 -0.847600 15.9994 0 - 10076 H2O 2687 H2O H1 3 0.423800 1.0079 0 - 10077 H2O 2687 H2O H2 3 0.423800 1.0079 0 - 10078 H2O 2688 H2O O1 4 -0.847600 15.9994 0 - 10079 H2O 2688 H2O H1 3 0.423800 1.0079 0 - 10080 H2O 2688 H2O H2 3 0.423800 1.0079 0 - 10081 H2O 2689 H2O O1 4 -0.847600 15.9994 0 - 10082 H2O 2689 H2O H1 3 0.423800 1.0079 0 - 10083 H2O 2689 H2O H2 3 0.423800 1.0079 0 - 10084 H2O 2690 H2O O1 4 -0.847600 15.9994 0 - 10085 H2O 2690 H2O H1 3 0.423800 1.0079 0 - 10086 H2O 2690 H2O H2 3 0.423800 1.0079 0 - 10087 H2O 2691 H2O O1 4 -0.847600 15.9994 0 - 10088 H2O 2691 H2O H1 3 0.423800 1.0079 0 - 10089 H2O 2691 H2O H2 3 0.423800 1.0079 0 - 10090 H2O 2692 H2O O1 4 -0.847600 15.9994 0 - 10091 H2O 2692 H2O H1 3 0.423800 1.0079 0 - 10092 H2O 2692 H2O H2 3 0.423800 1.0079 0 - 10093 H2O 2693 H2O O1 4 -0.847600 15.9994 0 - 10094 H2O 2693 H2O H1 3 0.423800 1.0079 0 - 10095 H2O 2693 H2O H2 3 0.423800 1.0079 0 - 10096 H2O 2694 H2O O1 4 -0.847600 15.9994 0 - 10097 H2O 2694 H2O H1 3 0.423800 1.0079 0 - 10098 H2O 2694 H2O H2 3 0.423800 1.0079 0 - 10099 H2O 2695 H2O O1 4 -0.847600 15.9994 0 - 10100 H2O 2695 H2O H1 3 0.423800 1.0079 0 - 10101 H2O 2695 H2O H2 3 0.423800 1.0079 0 - 10102 H2O 2696 H2O O1 4 -0.847600 15.9994 0 - 10103 H2O 2696 H2O H1 3 0.423800 1.0079 0 - 10104 H2O 2696 H2O H2 3 0.423800 1.0079 0 - 10105 H2O 2697 H2O O1 4 -0.847600 15.9994 0 - 10106 H2O 2697 H2O H1 3 0.423800 1.0079 0 - 10107 H2O 2697 H2O H2 3 0.423800 1.0079 0 - 10108 H2O 2698 H2O O1 4 -0.847600 15.9994 0 - 10109 H2O 2698 H2O H1 3 0.423800 1.0079 0 - 10110 H2O 2698 H2O H2 3 0.423800 1.0079 0 - 10111 H2O 2699 H2O O1 4 -0.847600 15.9994 0 - 10112 H2O 2699 H2O H1 3 0.423800 1.0079 0 - 10113 H2O 2699 H2O H2 3 0.423800 1.0079 0 - 10114 H2O 2700 H2O O1 4 -0.847600 15.9994 0 - 10115 H2O 2700 H2O H1 3 0.423800 1.0079 0 - 10116 H2O 2700 H2O H2 3 0.423800 1.0079 0 - 10117 H2O 2701 H2O O1 4 -0.847600 15.9994 0 - 10118 H2O 2701 H2O H1 3 0.423800 1.0079 0 - 10119 H2O 2701 H2O H2 3 0.423800 1.0079 0 - 10120 H2O 2702 H2O O1 4 -0.847600 15.9994 0 - 10121 H2O 2702 H2O H1 3 0.423800 1.0079 0 - 10122 H2O 2702 H2O H2 3 0.423800 1.0079 0 - 10123 H2O 2703 H2O O1 4 -0.847600 15.9994 0 - 10124 H2O 2703 H2O H1 3 0.423800 1.0079 0 - 10125 H2O 2703 H2O H2 3 0.423800 1.0079 0 - 10126 H2O 2704 H2O O1 4 -0.847600 15.9994 0 - 10127 H2O 2704 H2O H1 3 0.423800 1.0079 0 - 10128 H2O 2704 H2O H2 3 0.423800 1.0079 0 - 10129 H2O 2705 H2O O1 4 -0.847600 15.9994 0 - 10130 H2O 2705 H2O H1 3 0.423800 1.0079 0 - 10131 H2O 2705 H2O H2 3 0.423800 1.0079 0 - 10132 H2O 2706 H2O O1 4 -0.847600 15.9994 0 - 10133 H2O 2706 H2O H1 3 0.423800 1.0079 0 - 10134 H2O 2706 H2O H2 3 0.423800 1.0079 0 - 10135 H2O 2707 H2O O1 4 -0.847600 15.9994 0 - 10136 H2O 2707 H2O H1 3 0.423800 1.0079 0 - 10137 H2O 2707 H2O H2 3 0.423800 1.0079 0 - 10138 H2O 2708 H2O O1 4 -0.847600 15.9994 0 - 10139 H2O 2708 H2O H1 3 0.423800 1.0079 0 - 10140 H2O 2708 H2O H2 3 0.423800 1.0079 0 - 10141 H2O 2709 H2O O1 4 -0.847600 15.9994 0 - 10142 H2O 2709 H2O H1 3 0.423800 1.0079 0 - 10143 H2O 2709 H2O H2 3 0.423800 1.0079 0 - 10144 H2O 2710 H2O O1 4 -0.847600 15.9994 0 - 10145 H2O 2710 H2O H1 3 0.423800 1.0079 0 - 10146 H2O 2710 H2O H2 3 0.423800 1.0079 0 - 10147 H2O 2711 H2O O1 4 -0.847600 15.9994 0 - 10148 H2O 2711 H2O H1 3 0.423800 1.0079 0 - 10149 H2O 2711 H2O H2 3 0.423800 1.0079 0 - 10150 H2O 2712 H2O O1 4 -0.847600 15.9994 0 - 10151 H2O 2712 H2O H1 3 0.423800 1.0079 0 - 10152 H2O 2712 H2O H2 3 0.423800 1.0079 0 - 10153 H2O 2713 H2O O1 4 -0.847600 15.9994 0 - 10154 H2O 2713 H2O H1 3 0.423800 1.0079 0 - 10155 H2O 2713 H2O H2 3 0.423800 1.0079 0 - 10156 H2O 2714 H2O O1 4 -0.847600 15.9994 0 - 10157 H2O 2714 H2O H1 3 0.423800 1.0079 0 - 10158 H2O 2714 H2O H2 3 0.423800 1.0079 0 - 10159 H2O 2715 H2O O1 4 -0.847600 15.9994 0 - 10160 H2O 2715 H2O H1 3 0.423800 1.0079 0 - 10161 H2O 2715 H2O H2 3 0.423800 1.0079 0 - 10162 H2O 2716 H2O O1 4 -0.847600 15.9994 0 - 10163 H2O 2716 H2O H1 3 0.423800 1.0079 0 - 10164 H2O 2716 H2O H2 3 0.423800 1.0079 0 - 10165 H2O 2717 H2O O1 4 -0.847600 15.9994 0 - 10166 H2O 2717 H2O H1 3 0.423800 1.0079 0 - 10167 H2O 2717 H2O H2 3 0.423800 1.0079 0 - 10168 H2O 2718 H2O O1 4 -0.847600 15.9994 0 - 10169 H2O 2718 H2O H1 3 0.423800 1.0079 0 - 10170 H2O 2718 H2O H2 3 0.423800 1.0079 0 - 10171 H2O 2719 H2O O1 4 -0.847600 15.9994 0 - 10172 H2O 2719 H2O H1 3 0.423800 1.0079 0 - 10173 H2O 2719 H2O H2 3 0.423800 1.0079 0 - 10174 H2O 2720 H2O O1 4 -0.847600 15.9994 0 - 10175 H2O 2720 H2O H1 3 0.423800 1.0079 0 - 10176 H2O 2720 H2O H2 3 0.423800 1.0079 0 - 10177 H2O 2721 H2O O1 4 -0.847600 15.9994 0 - 10178 H2O 2721 H2O H1 3 0.423800 1.0079 0 - 10179 H2O 2721 H2O H2 3 0.423800 1.0079 0 - 10180 H2O 2722 H2O O1 4 -0.847600 15.9994 0 - 10181 H2O 2722 H2O H1 3 0.423800 1.0079 0 - 10182 H2O 2722 H2O H2 3 0.423800 1.0079 0 - 10183 H2O 2723 H2O O1 4 -0.847600 15.9994 0 - 10184 H2O 2723 H2O H1 3 0.423800 1.0079 0 - 10185 H2O 2723 H2O H2 3 0.423800 1.0079 0 - 10186 H2O 2724 H2O O1 4 -0.847600 15.9994 0 - 10187 H2O 2724 H2O H1 3 0.423800 1.0079 0 - 10188 H2O 2724 H2O H2 3 0.423800 1.0079 0 - 10189 H2O 2725 H2O O1 4 -0.847600 15.9994 0 - 10190 H2O 2725 H2O H1 3 0.423800 1.0079 0 - 10191 H2O 2725 H2O H2 3 0.423800 1.0079 0 - 10192 H2O 2726 H2O O1 4 -0.847600 15.9994 0 - 10193 H2O 2726 H2O H1 3 0.423800 1.0079 0 - 10194 H2O 2726 H2O H2 3 0.423800 1.0079 0 - 10195 H2O 2727 H2O O1 4 -0.847600 15.9994 0 - 10196 H2O 2727 H2O H1 3 0.423800 1.0079 0 - 10197 H2O 2727 H2O H2 3 0.423800 1.0079 0 - 10198 H2O 2728 H2O O1 4 -0.847600 15.9994 0 - 10199 H2O 2728 H2O H1 3 0.423800 1.0079 0 - 10200 H2O 2728 H2O H2 3 0.423800 1.0079 0 - 10201 H2O 2729 H2O O1 4 -0.847600 15.9994 0 - 10202 H2O 2729 H2O H1 3 0.423800 1.0079 0 - 10203 H2O 2729 H2O H2 3 0.423800 1.0079 0 - 10204 H2O 2730 H2O O1 4 -0.847600 15.9994 0 - 10205 H2O 2730 H2O H1 3 0.423800 1.0079 0 - 10206 H2O 2730 H2O H2 3 0.423800 1.0079 0 - 10207 H2O 2731 H2O O1 4 -0.847600 15.9994 0 - 10208 H2O 2731 H2O H1 3 0.423800 1.0079 0 - 10209 H2O 2731 H2O H2 3 0.423800 1.0079 0 - 10210 H2O 2732 H2O O1 4 -0.847600 15.9994 0 - 10211 H2O 2732 H2O H1 3 0.423800 1.0079 0 - 10212 H2O 2732 H2O H2 3 0.423800 1.0079 0 - 10213 H2O 2733 H2O O1 4 -0.847600 15.9994 0 - 10214 H2O 2733 H2O H1 3 0.423800 1.0079 0 - 10215 H2O 2733 H2O H2 3 0.423800 1.0079 0 - 10216 H2O 2734 H2O O1 4 -0.847600 15.9994 0 - 10217 H2O 2734 H2O H1 3 0.423800 1.0079 0 - 10218 H2O 2734 H2O H2 3 0.423800 1.0079 0 - 10219 H2O 2735 H2O O1 4 -0.847600 15.9994 0 - 10220 H2O 2735 H2O H1 3 0.423800 1.0079 0 - 10221 H2O 2735 H2O H2 3 0.423800 1.0079 0 - 10222 H2O 2736 H2O O1 4 -0.847600 15.9994 0 - 10223 H2O 2736 H2O H1 3 0.423800 1.0079 0 - 10224 H2O 2736 H2O H2 3 0.423800 1.0079 0 - 10225 H2O 2737 H2O O1 4 -0.847600 15.9994 0 - 10226 H2O 2737 H2O H1 3 0.423800 1.0079 0 - 10227 H2O 2737 H2O H2 3 0.423800 1.0079 0 - 10228 H2O 2738 H2O O1 4 -0.847600 15.9994 0 - 10229 H2O 2738 H2O H1 3 0.423800 1.0079 0 - 10230 H2O 2738 H2O H2 3 0.423800 1.0079 0 - 10231 H2O 2739 H2O O1 4 -0.847600 15.9994 0 - 10232 H2O 2739 H2O H1 3 0.423800 1.0079 0 - 10233 H2O 2739 H2O H2 3 0.423800 1.0079 0 - 10234 H2O 2740 H2O O1 4 -0.847600 15.9994 0 - 10235 H2O 2740 H2O H1 3 0.423800 1.0079 0 - 10236 H2O 2740 H2O H2 3 0.423800 1.0079 0 - 10237 H2O 2741 H2O O1 4 -0.847600 15.9994 0 - 10238 H2O 2741 H2O H1 3 0.423800 1.0079 0 - 10239 H2O 2741 H2O H2 3 0.423800 1.0079 0 - 10240 H2O 2742 H2O O1 4 -0.847600 15.9994 0 - 10241 H2O 2742 H2O H1 3 0.423800 1.0079 0 - 10242 H2O 2742 H2O H2 3 0.423800 1.0079 0 - 10243 H2O 2743 H2O O1 4 -0.847600 15.9994 0 - 10244 H2O 2743 H2O H1 3 0.423800 1.0079 0 - 10245 H2O 2743 H2O H2 3 0.423800 1.0079 0 - 10246 H2O 2744 H2O O1 4 -0.847600 15.9994 0 - 10247 H2O 2744 H2O H1 3 0.423800 1.0079 0 - 10248 H2O 2744 H2O H2 3 0.423800 1.0079 0 - 10249 H2O 2745 H2O O1 4 -0.847600 15.9994 0 - 10250 H2O 2745 H2O H1 3 0.423800 1.0079 0 - 10251 H2O 2745 H2O H2 3 0.423800 1.0079 0 - 10252 H2O 2746 H2O O1 4 -0.847600 15.9994 0 - 10253 H2O 2746 H2O H1 3 0.423800 1.0079 0 - 10254 H2O 2746 H2O H2 3 0.423800 1.0079 0 - 10255 H2O 2747 H2O O1 4 -0.847600 15.9994 0 - 10256 H2O 2747 H2O H1 3 0.423800 1.0079 0 - 10257 H2O 2747 H2O H2 3 0.423800 1.0079 0 - 10258 H2O 2748 H2O O1 4 -0.847600 15.9994 0 - 10259 H2O 2748 H2O H1 3 0.423800 1.0079 0 - 10260 H2O 2748 H2O H2 3 0.423800 1.0079 0 - 10261 H2O 2749 H2O O1 4 -0.847600 15.9994 0 - 10262 H2O 2749 H2O H1 3 0.423800 1.0079 0 - 10263 H2O 2749 H2O H2 3 0.423800 1.0079 0 - 10264 H2O 2750 H2O O1 4 -0.847600 15.9994 0 - 10265 H2O 2750 H2O H1 3 0.423800 1.0079 0 - 10266 H2O 2750 H2O H2 3 0.423800 1.0079 0 - 10267 H2O 2751 H2O O1 4 -0.847600 15.9994 0 - 10268 H2O 2751 H2O H1 3 0.423800 1.0079 0 - 10269 H2O 2751 H2O H2 3 0.423800 1.0079 0 - 10270 H2O 2752 H2O O1 4 -0.847600 15.9994 0 - 10271 H2O 2752 H2O H1 3 0.423800 1.0079 0 - 10272 H2O 2752 H2O H2 3 0.423800 1.0079 0 - 10273 H2O 2753 H2O O1 4 -0.847600 15.9994 0 - 10274 H2O 2753 H2O H1 3 0.423800 1.0079 0 - 10275 H2O 2753 H2O H2 3 0.423800 1.0079 0 - 10276 H2O 2754 H2O O1 4 -0.847600 15.9994 0 - 10277 H2O 2754 H2O H1 3 0.423800 1.0079 0 - 10278 H2O 2754 H2O H2 3 0.423800 1.0079 0 - 10279 H2O 2755 H2O O1 4 -0.847600 15.9994 0 - 10280 H2O 2755 H2O H1 3 0.423800 1.0079 0 - 10281 H2O 2755 H2O H2 3 0.423800 1.0079 0 - 10282 H2O 2756 H2O O1 4 -0.847600 15.9994 0 - 10283 H2O 2756 H2O H1 3 0.423800 1.0079 0 - 10284 H2O 2756 H2O H2 3 0.423800 1.0079 0 - 10285 H2O 2757 H2O O1 4 -0.847600 15.9994 0 - 10286 H2O 2757 H2O H1 3 0.423800 1.0079 0 - 10287 H2O 2757 H2O H2 3 0.423800 1.0079 0 - 10288 H2O 2758 H2O O1 4 -0.847600 15.9994 0 - 10289 H2O 2758 H2O H1 3 0.423800 1.0079 0 - 10290 H2O 2758 H2O H2 3 0.423800 1.0079 0 - 10291 H2O 2759 H2O O1 4 -0.847600 15.9994 0 - 10292 H2O 2759 H2O H1 3 0.423800 1.0079 0 - 10293 H2O 2759 H2O H2 3 0.423800 1.0079 0 - 10294 H2O 2760 H2O O1 4 -0.847600 15.9994 0 - 10295 H2O 2760 H2O H1 3 0.423800 1.0079 0 - 10296 H2O 2760 H2O H2 3 0.423800 1.0079 0 - 10297 H2O 2761 H2O O1 4 -0.847600 15.9994 0 - 10298 H2O 2761 H2O H1 3 0.423800 1.0079 0 - 10299 H2O 2761 H2O H2 3 0.423800 1.0079 0 - 10300 H2O 2762 H2O O1 4 -0.847600 15.9994 0 - 10301 H2O 2762 H2O H1 3 0.423800 1.0079 0 - 10302 H2O 2762 H2O H2 3 0.423800 1.0079 0 - 10303 H2O 2763 H2O O1 4 -0.847600 15.9994 0 - 10304 H2O 2763 H2O H1 3 0.423800 1.0079 0 - 10305 H2O 2763 H2O H2 3 0.423800 1.0079 0 - 10306 H2O 2764 H2O O1 4 -0.847600 15.9994 0 - 10307 H2O 2764 H2O H1 3 0.423800 1.0079 0 - 10308 H2O 2764 H2O H2 3 0.423800 1.0079 0 - 10309 H2O 2765 H2O O1 4 -0.847600 15.9994 0 - 10310 H2O 2765 H2O H1 3 0.423800 1.0079 0 - 10311 H2O 2765 H2O H2 3 0.423800 1.0079 0 - 10312 H2O 2766 H2O O1 4 -0.847600 15.9994 0 - 10313 H2O 2766 H2O H1 3 0.423800 1.0079 0 - 10314 H2O 2766 H2O H2 3 0.423800 1.0079 0 - 10315 H2O 2767 H2O O1 4 -0.847600 15.9994 0 - 10316 H2O 2767 H2O H1 3 0.423800 1.0079 0 - 10317 H2O 2767 H2O H2 3 0.423800 1.0079 0 - 10318 H2O 2768 H2O O1 4 -0.847600 15.9994 0 - 10319 H2O 2768 H2O H1 3 0.423800 1.0079 0 - 10320 H2O 2768 H2O H2 3 0.423800 1.0079 0 - 10321 H2O 2769 H2O O1 4 -0.847600 15.9994 0 - 10322 H2O 2769 H2O H1 3 0.423800 1.0079 0 - 10323 H2O 2769 H2O H2 3 0.423800 1.0079 0 - 10324 H2O 2770 H2O O1 4 -0.847600 15.9994 0 - 10325 H2O 2770 H2O H1 3 0.423800 1.0079 0 - 10326 H2O 2770 H2O H2 3 0.423800 1.0079 0 - 10327 H2O 2771 H2O O1 4 -0.847600 15.9994 0 - 10328 H2O 2771 H2O H1 3 0.423800 1.0079 0 - 10329 H2O 2771 H2O H2 3 0.423800 1.0079 0 - 10330 H2O 2772 H2O O1 4 -0.847600 15.9994 0 - 10331 H2O 2772 H2O H1 3 0.423800 1.0079 0 - 10332 H2O 2772 H2O H2 3 0.423800 1.0079 0 - 10333 H2O 2773 H2O O1 4 -0.847600 15.9994 0 - 10334 H2O 2773 H2O H1 3 0.423800 1.0079 0 - 10335 H2O 2773 H2O H2 3 0.423800 1.0079 0 - 10336 H2O 2774 H2O O1 4 -0.847600 15.9994 0 - 10337 H2O 2774 H2O H1 3 0.423800 1.0079 0 - 10338 H2O 2774 H2O H2 3 0.423800 1.0079 0 - 10339 H2O 2775 H2O O1 4 -0.847600 15.9994 0 - 10340 H2O 2775 H2O H1 3 0.423800 1.0079 0 - 10341 H2O 2775 H2O H2 3 0.423800 1.0079 0 - 10342 H2O 2776 H2O O1 4 -0.847600 15.9994 0 - 10343 H2O 2776 H2O H1 3 0.423800 1.0079 0 - 10344 H2O 2776 H2O H2 3 0.423800 1.0079 0 - 10345 H2O 2777 H2O O1 4 -0.847600 15.9994 0 - 10346 H2O 2777 H2O H1 3 0.423800 1.0079 0 - 10347 H2O 2777 H2O H2 3 0.423800 1.0079 0 - 10348 H2O 2778 H2O O1 4 -0.847600 15.9994 0 - 10349 H2O 2778 H2O H1 3 0.423800 1.0079 0 - 10350 H2O 2778 H2O H2 3 0.423800 1.0079 0 - 10351 H2O 2779 H2O O1 4 -0.847600 15.9994 0 - 10352 H2O 2779 H2O H1 3 0.423800 1.0079 0 - 10353 H2O 2779 H2O H2 3 0.423800 1.0079 0 - 10354 H2O 2780 H2O O1 4 -0.847600 15.9994 0 - 10355 H2O 2780 H2O H1 3 0.423800 1.0079 0 - 10356 H2O 2780 H2O H2 3 0.423800 1.0079 0 - 10357 H2O 2781 H2O O1 4 -0.847600 15.9994 0 - 10358 H2O 2781 H2O H1 3 0.423800 1.0079 0 - 10359 H2O 2781 H2O H2 3 0.423800 1.0079 0 - 10360 H2O 2782 H2O O1 4 -0.847600 15.9994 0 - 10361 H2O 2782 H2O H1 3 0.423800 1.0079 0 - 10362 H2O 2782 H2O H2 3 0.423800 1.0079 0 - 10363 H2O 2783 H2O O1 4 -0.847600 15.9994 0 - 10364 H2O 2783 H2O H1 3 0.423800 1.0079 0 - 10365 H2O 2783 H2O H2 3 0.423800 1.0079 0 - 10366 H2O 2784 H2O O1 4 -0.847600 15.9994 0 - 10367 H2O 2784 H2O H1 3 0.423800 1.0079 0 - 10368 H2O 2784 H2O H2 3 0.423800 1.0079 0 - 10369 H2O 2785 H2O O1 4 -0.847600 15.9994 0 - 10370 H2O 2785 H2O H1 3 0.423800 1.0079 0 - 10371 H2O 2785 H2O H2 3 0.423800 1.0079 0 - 10372 H2O 2786 H2O O1 4 -0.847600 15.9994 0 - 10373 H2O 2786 H2O H1 3 0.423800 1.0079 0 - 10374 H2O 2786 H2O H2 3 0.423800 1.0079 0 - 10375 H2O 2787 H2O O1 4 -0.847600 15.9994 0 - 10376 H2O 2787 H2O H1 3 0.423800 1.0079 0 - 10377 H2O 2787 H2O H2 3 0.423800 1.0079 0 - 10378 H2O 2788 H2O O1 4 -0.847600 15.9994 0 - 10379 H2O 2788 H2O H1 3 0.423800 1.0079 0 - 10380 H2O 2788 H2O H2 3 0.423800 1.0079 0 - 10381 H2O 2789 H2O O1 4 -0.847600 15.9994 0 - 10382 H2O 2789 H2O H1 3 0.423800 1.0079 0 - 10383 H2O 2789 H2O H2 3 0.423800 1.0079 0 - 10384 H2O 2790 H2O O1 4 -0.847600 15.9994 0 - 10385 H2O 2790 H2O H1 3 0.423800 1.0079 0 - 10386 H2O 2790 H2O H2 3 0.423800 1.0079 0 - 10387 H2O 2791 H2O O1 4 -0.847600 15.9994 0 - 10388 H2O 2791 H2O H1 3 0.423800 1.0079 0 - 10389 H2O 2791 H2O H2 3 0.423800 1.0079 0 - 10390 H2O 2792 H2O O1 4 -0.847600 15.9994 0 - 10391 H2O 2792 H2O H1 3 0.423800 1.0079 0 - 10392 H2O 2792 H2O H2 3 0.423800 1.0079 0 - 10393 H2O 2793 H2O O1 4 -0.847600 15.9994 0 - 10394 H2O 2793 H2O H1 3 0.423800 1.0079 0 - 10395 H2O 2793 H2O H2 3 0.423800 1.0079 0 - 10396 H2O 2794 H2O O1 4 -0.847600 15.9994 0 - 10397 H2O 2794 H2O H1 3 0.423800 1.0079 0 - 10398 H2O 2794 H2O H2 3 0.423800 1.0079 0 - 10399 H2O 2795 H2O O1 4 -0.847600 15.9994 0 - 10400 H2O 2795 H2O H1 3 0.423800 1.0079 0 - 10401 H2O 2795 H2O H2 3 0.423800 1.0079 0 - 10402 H2O 2796 H2O O1 4 -0.847600 15.9994 0 - 10403 H2O 2796 H2O H1 3 0.423800 1.0079 0 - 10404 H2O 2796 H2O H2 3 0.423800 1.0079 0 - 10405 H2O 2797 H2O O1 4 -0.847600 15.9994 0 - 10406 H2O 2797 H2O H1 3 0.423800 1.0079 0 - 10407 H2O 2797 H2O H2 3 0.423800 1.0079 0 - 10408 H2O 2798 H2O O1 4 -0.847600 15.9994 0 - 10409 H2O 2798 H2O H1 3 0.423800 1.0079 0 - 10410 H2O 2798 H2O H2 3 0.423800 1.0079 0 - 10411 H2O 2799 H2O O1 4 -0.847600 15.9994 0 - 10412 H2O 2799 H2O H1 3 0.423800 1.0079 0 - 10413 H2O 2799 H2O H2 3 0.423800 1.0079 0 - 10414 H2O 2800 H2O O1 4 -0.847600 15.9994 0 - 10415 H2O 2800 H2O H1 3 0.423800 1.0079 0 - 10416 H2O 2800 H2O H2 3 0.423800 1.0079 0 - 10417 H2O 2801 H2O O1 4 -0.847600 15.9994 0 - 10418 H2O 2801 H2O H1 3 0.423800 1.0079 0 - 10419 H2O 2801 H2O H2 3 0.423800 1.0079 0 - 10420 H2O 2802 H2O O1 4 -0.847600 15.9994 0 - 10421 H2O 2802 H2O H1 3 0.423800 1.0079 0 - 10422 H2O 2802 H2O H2 3 0.423800 1.0079 0 - 10423 H2O 2803 H2O O1 4 -0.847600 15.9994 0 - 10424 H2O 2803 H2O H1 3 0.423800 1.0079 0 - 10425 H2O 2803 H2O H2 3 0.423800 1.0079 0 - 10426 H2O 2804 H2O O1 4 -0.847600 15.9994 0 - 10427 H2O 2804 H2O H1 3 0.423800 1.0079 0 - 10428 H2O 2804 H2O H2 3 0.423800 1.0079 0 - 10429 H2O 2805 H2O O1 4 -0.847600 15.9994 0 - 10430 H2O 2805 H2O H1 3 0.423800 1.0079 0 - 10431 H2O 2805 H2O H2 3 0.423800 1.0079 0 - 10432 H2O 2806 H2O O1 4 -0.847600 15.9994 0 - 10433 H2O 2806 H2O H1 3 0.423800 1.0079 0 - 10434 H2O 2806 H2O H2 3 0.423800 1.0079 0 - 10435 H2O 2807 H2O O1 4 -0.847600 15.9994 0 - 10436 H2O 2807 H2O H1 3 0.423800 1.0079 0 - 10437 H2O 2807 H2O H2 3 0.423800 1.0079 0 - 10438 H2O 2808 H2O O1 4 -0.847600 15.9994 0 - 10439 H2O 2808 H2O H1 3 0.423800 1.0079 0 - 10440 H2O 2808 H2O H2 3 0.423800 1.0079 0 - 10441 H2O 2809 H2O O1 4 -0.847600 15.9994 0 - 10442 H2O 2809 H2O H1 3 0.423800 1.0079 0 - 10443 H2O 2809 H2O H2 3 0.423800 1.0079 0 - 10444 H2O 2810 H2O O1 4 -0.847600 15.9994 0 - 10445 H2O 2810 H2O H1 3 0.423800 1.0079 0 - 10446 H2O 2810 H2O H2 3 0.423800 1.0079 0 - 10447 H2O 2811 H2O O1 4 -0.847600 15.9994 0 - 10448 H2O 2811 H2O H1 3 0.423800 1.0079 0 - 10449 H2O 2811 H2O H2 3 0.423800 1.0079 0 - 10450 H2O 2812 H2O O1 4 -0.847600 15.9994 0 - 10451 H2O 2812 H2O H1 3 0.423800 1.0079 0 - 10452 H2O 2812 H2O H2 3 0.423800 1.0079 0 - 10453 H2O 2813 H2O O1 4 -0.847600 15.9994 0 - 10454 H2O 2813 H2O H1 3 0.423800 1.0079 0 - 10455 H2O 2813 H2O H2 3 0.423800 1.0079 0 - 10456 H2O 2814 H2O O1 4 -0.847600 15.9994 0 - 10457 H2O 2814 H2O H1 3 0.423800 1.0079 0 - 10458 H2O 2814 H2O H2 3 0.423800 1.0079 0 - 10459 H2O 2815 H2O O1 4 -0.847600 15.9994 0 - 10460 H2O 2815 H2O H1 3 0.423800 1.0079 0 - 10461 H2O 2815 H2O H2 3 0.423800 1.0079 0 - 10462 H2O 2816 H2O O1 4 -0.847600 15.9994 0 - 10463 H2O 2816 H2O H1 3 0.423800 1.0079 0 - 10464 H2O 2816 H2O H2 3 0.423800 1.0079 0 - 10465 H2O 2817 H2O O1 4 -0.847600 15.9994 0 - 10466 H2O 2817 H2O H1 3 0.423800 1.0079 0 - 10467 H2O 2817 H2O H2 3 0.423800 1.0079 0 - 10468 H2O 2818 H2O O1 4 -0.847600 15.9994 0 - 10469 H2O 2818 H2O H1 3 0.423800 1.0079 0 - 10470 H2O 2818 H2O H2 3 0.423800 1.0079 0 - 10471 H2O 2819 H2O O1 4 -0.847600 15.9994 0 - 10472 H2O 2819 H2O H1 3 0.423800 1.0079 0 - 10473 H2O 2819 H2O H2 3 0.423800 1.0079 0 - 10474 H2O 2820 H2O O1 4 -0.847600 15.9994 0 - 10475 H2O 2820 H2O H1 3 0.423800 1.0079 0 - 10476 H2O 2820 H2O H2 3 0.423800 1.0079 0 - 10477 H2O 2821 H2O O1 4 -0.847600 15.9994 0 - 10478 H2O 2821 H2O H1 3 0.423800 1.0079 0 - 10479 H2O 2821 H2O H2 3 0.423800 1.0079 0 - 10480 H2O 2822 H2O O1 4 -0.847600 15.9994 0 - 10481 H2O 2822 H2O H1 3 0.423800 1.0079 0 - 10482 H2O 2822 H2O H2 3 0.423800 1.0079 0 - 10483 H2O 2823 H2O O1 4 -0.847600 15.9994 0 - 10484 H2O 2823 H2O H1 3 0.423800 1.0079 0 - 10485 H2O 2823 H2O H2 3 0.423800 1.0079 0 - 10486 H2O 2824 H2O O1 4 -0.847600 15.9994 0 - 10487 H2O 2824 H2O H1 3 0.423800 1.0079 0 - 10488 H2O 2824 H2O H2 3 0.423800 1.0079 0 - 10489 H2O 2825 H2O O1 4 -0.847600 15.9994 0 - 10490 H2O 2825 H2O H1 3 0.423800 1.0079 0 - 10491 H2O 2825 H2O H2 3 0.423800 1.0079 0 - 10492 H2O 2826 H2O O1 4 -0.847600 15.9994 0 - 10493 H2O 2826 H2O H1 3 0.423800 1.0079 0 - 10494 H2O 2826 H2O H2 3 0.423800 1.0079 0 - 10495 H2O 2827 H2O O1 4 -0.847600 15.9994 0 - 10496 H2O 2827 H2O H1 3 0.423800 1.0079 0 - 10497 H2O 2827 H2O H2 3 0.423800 1.0079 0 - 10498 H2O 2828 H2O O1 4 -0.847600 15.9994 0 - 10499 H2O 2828 H2O H1 3 0.423800 1.0079 0 - 10500 H2O 2828 H2O H2 3 0.423800 1.0079 0 - 10501 H2O 2829 H2O O1 4 -0.847600 15.9994 0 - 10502 H2O 2829 H2O H1 3 0.423800 1.0079 0 - 10503 H2O 2829 H2O H2 3 0.423800 1.0079 0 - 10504 H2O 2830 H2O O1 4 -0.847600 15.9994 0 - 10505 H2O 2830 H2O H1 3 0.423800 1.0079 0 - 10506 H2O 2830 H2O H2 3 0.423800 1.0079 0 - 10507 H2O 2831 H2O O1 4 -0.847600 15.9994 0 - 10508 H2O 2831 H2O H1 3 0.423800 1.0079 0 - 10509 H2O 2831 H2O H2 3 0.423800 1.0079 0 - 10510 H2O 2832 H2O O1 4 -0.847600 15.9994 0 - 10511 H2O 2832 H2O H1 3 0.423800 1.0079 0 - 10512 H2O 2832 H2O H2 3 0.423800 1.0079 0 - 10513 H2O 2833 H2O O1 4 -0.847600 15.9994 0 - 10514 H2O 2833 H2O H1 3 0.423800 1.0079 0 - 10515 H2O 2833 H2O H2 3 0.423800 1.0079 0 - 10516 H2O 2834 H2O O1 4 -0.847600 15.9994 0 - 10517 H2O 2834 H2O H1 3 0.423800 1.0079 0 - 10518 H2O 2834 H2O H2 3 0.423800 1.0079 0 - 10519 H2O 2835 H2O O1 4 -0.847600 15.9994 0 - 10520 H2O 2835 H2O H1 3 0.423800 1.0079 0 - 10521 H2O 2835 H2O H2 3 0.423800 1.0079 0 - 10522 H2O 2836 H2O O1 4 -0.847600 15.9994 0 - 10523 H2O 2836 H2O H1 3 0.423800 1.0079 0 - 10524 H2O 2836 H2O H2 3 0.423800 1.0079 0 - 10525 H2O 2837 H2O O1 4 -0.847600 15.9994 0 - 10526 H2O 2837 H2O H1 3 0.423800 1.0079 0 - 10527 H2O 2837 H2O H2 3 0.423800 1.0079 0 - 10528 H2O 2838 H2O O1 4 -0.847600 15.9994 0 - 10529 H2O 2838 H2O H1 3 0.423800 1.0079 0 - 10530 H2O 2838 H2O H2 3 0.423800 1.0079 0 - 10531 H2O 2839 H2O O1 4 -0.847600 15.9994 0 - 10532 H2O 2839 H2O H1 3 0.423800 1.0079 0 - 10533 H2O 2839 H2O H2 3 0.423800 1.0079 0 - 10534 H2O 2840 H2O O1 4 -0.847600 15.9994 0 - 10535 H2O 2840 H2O H1 3 0.423800 1.0079 0 - 10536 H2O 2840 H2O H2 3 0.423800 1.0079 0 - 10537 H2O 2841 H2O O1 4 -0.847600 15.9994 0 - 10538 H2O 2841 H2O H1 3 0.423800 1.0079 0 - 10539 H2O 2841 H2O H2 3 0.423800 1.0079 0 - 10540 H2O 2842 H2O O1 4 -0.847600 15.9994 0 - 10541 H2O 2842 H2O H1 3 0.423800 1.0079 0 - 10542 H2O 2842 H2O H2 3 0.423800 1.0079 0 - 10543 H2O 2843 H2O O1 4 -0.847600 15.9994 0 - 10544 H2O 2843 H2O H1 3 0.423800 1.0079 0 - 10545 H2O 2843 H2O H2 3 0.423800 1.0079 0 - 10546 H2O 2844 H2O O1 4 -0.847600 15.9994 0 - 10547 H2O 2844 H2O H1 3 0.423800 1.0079 0 - 10548 H2O 2844 H2O H2 3 0.423800 1.0079 0 - 10549 H2O 2845 H2O O1 4 -0.847600 15.9994 0 - 10550 H2O 2845 H2O H1 3 0.423800 1.0079 0 - 10551 H2O 2845 H2O H2 3 0.423800 1.0079 0 - 10552 H2O 2846 H2O O1 4 -0.847600 15.9994 0 - 10553 H2O 2846 H2O H1 3 0.423800 1.0079 0 - 10554 H2O 2846 H2O H2 3 0.423800 1.0079 0 - 10555 H2O 2847 H2O O1 4 -0.847600 15.9994 0 - 10556 H2O 2847 H2O H1 3 0.423800 1.0079 0 - 10557 H2O 2847 H2O H2 3 0.423800 1.0079 0 - 10558 H2O 2848 H2O O1 4 -0.847600 15.9994 0 - 10559 H2O 2848 H2O H1 3 0.423800 1.0079 0 - 10560 H2O 2848 H2O H2 3 0.423800 1.0079 0 - 10561 H2O 2849 H2O O1 4 -0.847600 15.9994 0 - 10562 H2O 2849 H2O H1 3 0.423800 1.0079 0 - 10563 H2O 2849 H2O H2 3 0.423800 1.0079 0 - 10564 H2O 2850 H2O O1 4 -0.847600 15.9994 0 - 10565 H2O 2850 H2O H1 3 0.423800 1.0079 0 - 10566 H2O 2850 H2O H2 3 0.423800 1.0079 0 - 10567 H2O 2851 H2O O1 4 -0.847600 15.9994 0 - 10568 H2O 2851 H2O H1 3 0.423800 1.0079 0 - 10569 H2O 2851 H2O H2 3 0.423800 1.0079 0 - 10570 H2O 2852 H2O O1 4 -0.847600 15.9994 0 - 10571 H2O 2852 H2O H1 3 0.423800 1.0079 0 - 10572 H2O 2852 H2O H2 3 0.423800 1.0079 0 - 10573 H2O 2853 H2O O1 4 -0.847600 15.9994 0 - 10574 H2O 2853 H2O H1 3 0.423800 1.0079 0 - 10575 H2O 2853 H2O H2 3 0.423800 1.0079 0 - 10576 H2O 2854 H2O O1 4 -0.847600 15.9994 0 - 10577 H2O 2854 H2O H1 3 0.423800 1.0079 0 - 10578 H2O 2854 H2O H2 3 0.423800 1.0079 0 - 10579 H2O 2855 H2O O1 4 -0.847600 15.9994 0 - 10580 H2O 2855 H2O H1 3 0.423800 1.0079 0 - 10581 H2O 2855 H2O H2 3 0.423800 1.0079 0 - 10582 H2O 2856 H2O O1 4 -0.847600 15.9994 0 - 10583 H2O 2856 H2O H1 3 0.423800 1.0079 0 - 10584 H2O 2856 H2O H2 3 0.423800 1.0079 0 - 10585 H2O 2857 H2O O1 4 -0.847600 15.9994 0 - 10586 H2O 2857 H2O H1 3 0.423800 1.0079 0 - 10587 H2O 2857 H2O H2 3 0.423800 1.0079 0 - 10588 H2O 2858 H2O O1 4 -0.847600 15.9994 0 - 10589 H2O 2858 H2O H1 3 0.423800 1.0079 0 - 10590 H2O 2858 H2O H2 3 0.423800 1.0079 0 - 10591 H2O 2859 H2O O1 4 -0.847600 15.9994 0 - 10592 H2O 2859 H2O H1 3 0.423800 1.0079 0 - 10593 H2O 2859 H2O H2 3 0.423800 1.0079 0 - 10594 H2O 2860 H2O O1 4 -0.847600 15.9994 0 - 10595 H2O 2860 H2O H1 3 0.423800 1.0079 0 - 10596 H2O 2860 H2O H2 3 0.423800 1.0079 0 - 10597 H2O 2861 H2O O1 4 -0.847600 15.9994 0 - 10598 H2O 2861 H2O H1 3 0.423800 1.0079 0 - 10599 H2O 2861 H2O H2 3 0.423800 1.0079 0 - 10600 H2O 2862 H2O O1 4 -0.847600 15.9994 0 - 10601 H2O 2862 H2O H1 3 0.423800 1.0079 0 - 10602 H2O 2862 H2O H2 3 0.423800 1.0079 0 - 10603 H2O 2863 H2O O1 4 -0.847600 15.9994 0 - 10604 H2O 2863 H2O H1 3 0.423800 1.0079 0 - 10605 H2O 2863 H2O H2 3 0.423800 1.0079 0 - 10606 H2O 2864 H2O O1 4 -0.847600 15.9994 0 - 10607 H2O 2864 H2O H1 3 0.423800 1.0079 0 - 10608 H2O 2864 H2O H2 3 0.423800 1.0079 0 - 10609 H2O 2865 H2O O1 4 -0.847600 15.9994 0 - 10610 H2O 2865 H2O H1 3 0.423800 1.0079 0 - 10611 H2O 2865 H2O H2 3 0.423800 1.0079 0 - 10612 H2O 2866 H2O O1 4 -0.847600 15.9994 0 - 10613 H2O 2866 H2O H1 3 0.423800 1.0079 0 - 10614 H2O 2866 H2O H2 3 0.423800 1.0079 0 - 10615 H2O 2867 H2O O1 4 -0.847600 15.9994 0 - 10616 H2O 2867 H2O H1 3 0.423800 1.0079 0 - 10617 H2O 2867 H2O H2 3 0.423800 1.0079 0 - 10618 H2O 2868 H2O O1 4 -0.847600 15.9994 0 - 10619 H2O 2868 H2O H1 3 0.423800 1.0079 0 - 10620 H2O 2868 H2O H2 3 0.423800 1.0079 0 - 10621 H2O 2869 H2O O1 4 -0.847600 15.9994 0 - 10622 H2O 2869 H2O H1 3 0.423800 1.0079 0 - 10623 H2O 2869 H2O H2 3 0.423800 1.0079 0 - 10624 H2O 2870 H2O O1 4 -0.847600 15.9994 0 - 10625 H2O 2870 H2O H1 3 0.423800 1.0079 0 - 10626 H2O 2870 H2O H2 3 0.423800 1.0079 0 - 10627 H2O 2871 H2O O1 4 -0.847600 15.9994 0 - 10628 H2O 2871 H2O H1 3 0.423800 1.0079 0 - 10629 H2O 2871 H2O H2 3 0.423800 1.0079 0 - 10630 H2O 2872 H2O O1 4 -0.847600 15.9994 0 - 10631 H2O 2872 H2O H1 3 0.423800 1.0079 0 - 10632 H2O 2872 H2O H2 3 0.423800 1.0079 0 - 10633 H2O 2873 H2O O1 4 -0.847600 15.9994 0 - 10634 H2O 2873 H2O H1 3 0.423800 1.0079 0 - 10635 H2O 2873 H2O H2 3 0.423800 1.0079 0 - 10636 H2O 2874 H2O O1 4 -0.847600 15.9994 0 - 10637 H2O 2874 H2O H1 3 0.423800 1.0079 0 - 10638 H2O 2874 H2O H2 3 0.423800 1.0079 0 - 10639 H2O 2875 H2O O1 4 -0.847600 15.9994 0 - 10640 H2O 2875 H2O H1 3 0.423800 1.0079 0 - 10641 H2O 2875 H2O H2 3 0.423800 1.0079 0 - 10642 H2O 2876 H2O O1 4 -0.847600 15.9994 0 - 10643 H2O 2876 H2O H1 3 0.423800 1.0079 0 - 10644 H2O 2876 H2O H2 3 0.423800 1.0079 0 - 10645 H2O 2877 H2O O1 4 -0.847600 15.9994 0 - 10646 H2O 2877 H2O H1 3 0.423800 1.0079 0 - 10647 H2O 2877 H2O H2 3 0.423800 1.0079 0 - 10648 H2O 2878 H2O O1 4 -0.847600 15.9994 0 - 10649 H2O 2878 H2O H1 3 0.423800 1.0079 0 - 10650 H2O 2878 H2O H2 3 0.423800 1.0079 0 - 10651 H2O 2879 H2O O1 4 -0.847600 15.9994 0 - 10652 H2O 2879 H2O H1 3 0.423800 1.0079 0 - 10653 H2O 2879 H2O H2 3 0.423800 1.0079 0 - 10654 H2O 2880 H2O O1 4 -0.847600 15.9994 0 - 10655 H2O 2880 H2O H1 3 0.423800 1.0079 0 - 10656 H2O 2880 H2O H2 3 0.423800 1.0079 0 - 10657 H2O 2881 H2O O1 4 -0.847600 15.9994 0 - 10658 H2O 2881 H2O H1 3 0.423800 1.0079 0 - 10659 H2O 2881 H2O H2 3 0.423800 1.0079 0 - 10660 H2O 2882 H2O O1 4 -0.847600 15.9994 0 - 10661 H2O 2882 H2O H1 3 0.423800 1.0079 0 - 10662 H2O 2882 H2O H2 3 0.423800 1.0079 0 - 10663 H2O 2883 H2O O1 4 -0.847600 15.9994 0 - 10664 H2O 2883 H2O H1 3 0.423800 1.0079 0 - 10665 H2O 2883 H2O H2 3 0.423800 1.0079 0 - 10666 H2O 2884 H2O O1 4 -0.847600 15.9994 0 - 10667 H2O 2884 H2O H1 3 0.423800 1.0079 0 - 10668 H2O 2884 H2O H2 3 0.423800 1.0079 0 - 10669 H2O 2885 H2O O1 4 -0.847600 15.9994 0 - 10670 H2O 2885 H2O H1 3 0.423800 1.0079 0 - 10671 H2O 2885 H2O H2 3 0.423800 1.0079 0 - 10672 H2O 2886 H2O O1 4 -0.847600 15.9994 0 - 10673 H2O 2886 H2O H1 3 0.423800 1.0079 0 - 10674 H2O 2886 H2O H2 3 0.423800 1.0079 0 - 10675 H2O 2887 H2O O1 4 -0.847600 15.9994 0 - 10676 H2O 2887 H2O H1 3 0.423800 1.0079 0 - 10677 H2O 2887 H2O H2 3 0.423800 1.0079 0 - 10678 H2O 2888 H2O O1 4 -0.847600 15.9994 0 - 10679 H2O 2888 H2O H1 3 0.423800 1.0079 0 - 10680 H2O 2888 H2O H2 3 0.423800 1.0079 0 - 10681 H2O 2889 H2O O1 4 -0.847600 15.9994 0 - 10682 H2O 2889 H2O H1 3 0.423800 1.0079 0 - 10683 H2O 2889 H2O H2 3 0.423800 1.0079 0 - 10684 H2O 2890 H2O O1 4 -0.847600 15.9994 0 - 10685 H2O 2890 H2O H1 3 0.423800 1.0079 0 - 10686 H2O 2890 H2O H2 3 0.423800 1.0079 0 - 10687 H2O 2891 H2O O1 4 -0.847600 15.9994 0 - 10688 H2O 2891 H2O H1 3 0.423800 1.0079 0 - 10689 H2O 2891 H2O H2 3 0.423800 1.0079 0 - 10690 H2O 2892 H2O O1 4 -0.847600 15.9994 0 - 10691 H2O 2892 H2O H1 3 0.423800 1.0079 0 - 10692 H2O 2892 H2O H2 3 0.423800 1.0079 0 - 10693 H2O 2893 H2O O1 4 -0.847600 15.9994 0 - 10694 H2O 2893 H2O H1 3 0.423800 1.0079 0 - 10695 H2O 2893 H2O H2 3 0.423800 1.0079 0 - 10696 H2O 2894 H2O O1 4 -0.847600 15.9994 0 - 10697 H2O 2894 H2O H1 3 0.423800 1.0079 0 - 10698 H2O 2894 H2O H2 3 0.423800 1.0079 0 - 10699 H2O 2895 H2O O1 4 -0.847600 15.9994 0 - 10700 H2O 2895 H2O H1 3 0.423800 1.0079 0 - 10701 H2O 2895 H2O H2 3 0.423800 1.0079 0 - 10702 H2O 2896 H2O O1 4 -0.847600 15.9994 0 - 10703 H2O 2896 H2O H1 3 0.423800 1.0079 0 - 10704 H2O 2896 H2O H2 3 0.423800 1.0079 0 - 10705 H2O 2897 H2O O1 4 -0.847600 15.9994 0 - 10706 H2O 2897 H2O H1 3 0.423800 1.0079 0 - 10707 H2O 2897 H2O H2 3 0.423800 1.0079 0 - 10708 H2O 2898 H2O O1 4 -0.847600 15.9994 0 - 10709 H2O 2898 H2O H1 3 0.423800 1.0079 0 - 10710 H2O 2898 H2O H2 3 0.423800 1.0079 0 - 10711 H2O 2899 H2O O1 4 -0.847600 15.9994 0 - 10712 H2O 2899 H2O H1 3 0.423800 1.0079 0 - 10713 H2O 2899 H2O H2 3 0.423800 1.0079 0 - 10714 H2O 2900 H2O O1 4 -0.847600 15.9994 0 - 10715 H2O 2900 H2O H1 3 0.423800 1.0079 0 - 10716 H2O 2900 H2O H2 3 0.423800 1.0079 0 - 10717 H2O 2901 H2O O1 4 -0.847600 15.9994 0 - 10718 H2O 2901 H2O H1 3 0.423800 1.0079 0 - 10719 H2O 2901 H2O H2 3 0.423800 1.0079 0 - 10720 H2O 2902 H2O O1 4 -0.847600 15.9994 0 - 10721 H2O 2902 H2O H1 3 0.423800 1.0079 0 - 10722 H2O 2902 H2O H2 3 0.423800 1.0079 0 - 10723 H2O 2903 H2O O1 4 -0.847600 15.9994 0 - 10724 H2O 2903 H2O H1 3 0.423800 1.0079 0 - 10725 H2O 2903 H2O H2 3 0.423800 1.0079 0 - 10726 H2O 2904 H2O O1 4 -0.847600 15.9994 0 - 10727 H2O 2904 H2O H1 3 0.423800 1.0079 0 - 10728 H2O 2904 H2O H2 3 0.423800 1.0079 0 - 10729 H2O 2905 H2O O1 4 -0.847600 15.9994 0 - 10730 H2O 2905 H2O H1 3 0.423800 1.0079 0 - 10731 H2O 2905 H2O H2 3 0.423800 1.0079 0 - 10732 H2O 2906 H2O O1 4 -0.847600 15.9994 0 - 10733 H2O 2906 H2O H1 3 0.423800 1.0079 0 - 10734 H2O 2906 H2O H2 3 0.423800 1.0079 0 - 10735 H2O 2907 H2O O1 4 -0.847600 15.9994 0 - 10736 H2O 2907 H2O H1 3 0.423800 1.0079 0 - 10737 H2O 2907 H2O H2 3 0.423800 1.0079 0 - 10738 H2O 2908 H2O O1 4 -0.847600 15.9994 0 - 10739 H2O 2908 H2O H1 3 0.423800 1.0079 0 - 10740 H2O 2908 H2O H2 3 0.423800 1.0079 0 - 10741 H2O 2909 H2O O1 4 -0.847600 15.9994 0 - 10742 H2O 2909 H2O H1 3 0.423800 1.0079 0 - 10743 H2O 2909 H2O H2 3 0.423800 1.0079 0 - 10744 H2O 2910 H2O O1 4 -0.847600 15.9994 0 - 10745 H2O 2910 H2O H1 3 0.423800 1.0079 0 - 10746 H2O 2910 H2O H2 3 0.423800 1.0079 0 - 10747 H2O 2911 H2O O1 4 -0.847600 15.9994 0 - 10748 H2O 2911 H2O H1 3 0.423800 1.0079 0 - 10749 H2O 2911 H2O H2 3 0.423800 1.0079 0 - 10750 H2O 2912 H2O O1 4 -0.847600 15.9994 0 - 10751 H2O 2912 H2O H1 3 0.423800 1.0079 0 - 10752 H2O 2912 H2O H2 3 0.423800 1.0079 0 - 10753 H2O 2913 H2O O1 4 -0.847600 15.9994 0 - 10754 H2O 2913 H2O H1 3 0.423800 1.0079 0 - 10755 H2O 2913 H2O H2 3 0.423800 1.0079 0 - 10756 H2O 2914 H2O O1 4 -0.847600 15.9994 0 - 10757 H2O 2914 H2O H1 3 0.423800 1.0079 0 - 10758 H2O 2914 H2O H2 3 0.423800 1.0079 0 - 10759 H2O 2915 H2O O1 4 -0.847600 15.9994 0 - 10760 H2O 2915 H2O H1 3 0.423800 1.0079 0 - 10761 H2O 2915 H2O H2 3 0.423800 1.0079 0 - 10762 H2O 2916 H2O O1 4 -0.847600 15.9994 0 - 10763 H2O 2916 H2O H1 3 0.423800 1.0079 0 - 10764 H2O 2916 H2O H2 3 0.423800 1.0079 0 - 10765 H2O 2917 H2O O1 4 -0.847600 15.9994 0 - 10766 H2O 2917 H2O H1 3 0.423800 1.0079 0 - 10767 H2O 2917 H2O H2 3 0.423800 1.0079 0 - 10768 H2O 2918 H2O O1 4 -0.847600 15.9994 0 - 10769 H2O 2918 H2O H1 3 0.423800 1.0079 0 - 10770 H2O 2918 H2O H2 3 0.423800 1.0079 0 - 10771 H2O 2919 H2O O1 4 -0.847600 15.9994 0 - 10772 H2O 2919 H2O H1 3 0.423800 1.0079 0 - 10773 H2O 2919 H2O H2 3 0.423800 1.0079 0 - 10774 H2O 2920 H2O O1 4 -0.847600 15.9994 0 - 10775 H2O 2920 H2O H1 3 0.423800 1.0079 0 - 10776 H2O 2920 H2O H2 3 0.423800 1.0079 0 - 10777 H2O 2921 H2O O1 4 -0.847600 15.9994 0 - 10778 H2O 2921 H2O H1 3 0.423800 1.0079 0 - 10779 H2O 2921 H2O H2 3 0.423800 1.0079 0 - 10780 H2O 2922 H2O O1 4 -0.847600 15.9994 0 - 10781 H2O 2922 H2O H1 3 0.423800 1.0079 0 - 10782 H2O 2922 H2O H2 3 0.423800 1.0079 0 - 10783 H2O 2923 H2O O1 4 -0.847600 15.9994 0 - 10784 H2O 2923 H2O H1 3 0.423800 1.0079 0 - 10785 H2O 2923 H2O H2 3 0.423800 1.0079 0 - 10786 H2O 2924 H2O O1 4 -0.847600 15.9994 0 - 10787 H2O 2924 H2O H1 3 0.423800 1.0079 0 - 10788 H2O 2924 H2O H2 3 0.423800 1.0079 0 - 10789 H2O 2925 H2O O1 4 -0.847600 15.9994 0 - 10790 H2O 2925 H2O H1 3 0.423800 1.0079 0 - 10791 H2O 2925 H2O H2 3 0.423800 1.0079 0 - 10792 H2O 2926 H2O O1 4 -0.847600 15.9994 0 - 10793 H2O 2926 H2O H1 3 0.423800 1.0079 0 - 10794 H2O 2926 H2O H2 3 0.423800 1.0079 0 - 10795 H2O 2927 H2O O1 4 -0.847600 15.9994 0 - 10796 H2O 2927 H2O H1 3 0.423800 1.0079 0 - 10797 H2O 2927 H2O H2 3 0.423800 1.0079 0 - 10798 H2O 2928 H2O O1 4 -0.847600 15.9994 0 - 10799 H2O 2928 H2O H1 3 0.423800 1.0079 0 - 10800 H2O 2928 H2O H2 3 0.423800 1.0079 0 - 10801 H2O 2929 H2O O1 4 -0.847600 15.9994 0 - 10802 H2O 2929 H2O H1 3 0.423800 1.0079 0 - 10803 H2O 2929 H2O H2 3 0.423800 1.0079 0 - 10804 H2O 2930 H2O O1 4 -0.847600 15.9994 0 - 10805 H2O 2930 H2O H1 3 0.423800 1.0079 0 - 10806 H2O 2930 H2O H2 3 0.423800 1.0079 0 - 10807 H2O 2931 H2O O1 4 -0.847600 15.9994 0 - 10808 H2O 2931 H2O H1 3 0.423800 1.0079 0 - 10809 H2O 2931 H2O H2 3 0.423800 1.0079 0 - 10810 H2O 2932 H2O O1 4 -0.847600 15.9994 0 - 10811 H2O 2932 H2O H1 3 0.423800 1.0079 0 - 10812 H2O 2932 H2O H2 3 0.423800 1.0079 0 - 10813 H2O 2933 H2O O1 4 -0.847600 15.9994 0 - 10814 H2O 2933 H2O H1 3 0.423800 1.0079 0 - 10815 H2O 2933 H2O H2 3 0.423800 1.0079 0 - 10816 H2O 2934 H2O O1 4 -0.847600 15.9994 0 - 10817 H2O 2934 H2O H1 3 0.423800 1.0079 0 - 10818 H2O 2934 H2O H2 3 0.423800 1.0079 0 - 10819 H2O 2935 H2O O1 4 -0.847600 15.9994 0 - 10820 H2O 2935 H2O H1 3 0.423800 1.0079 0 - 10821 H2O 2935 H2O H2 3 0.423800 1.0079 0 - 10822 H2O 2936 H2O O1 4 -0.847600 15.9994 0 - 10823 H2O 2936 H2O H1 3 0.423800 1.0079 0 - 10824 H2O 2936 H2O H2 3 0.423800 1.0079 0 - 10825 H2O 2937 H2O O1 4 -0.847600 15.9994 0 - 10826 H2O 2937 H2O H1 3 0.423800 1.0079 0 - 10827 H2O 2937 H2O H2 3 0.423800 1.0079 0 - 10828 H2O 2938 H2O O1 4 -0.847600 15.9994 0 - 10829 H2O 2938 H2O H1 3 0.423800 1.0079 0 - 10830 H2O 2938 H2O H2 3 0.423800 1.0079 0 - 10831 H2O 2939 H2O O1 4 -0.847600 15.9994 0 - 10832 H2O 2939 H2O H1 3 0.423800 1.0079 0 - 10833 H2O 2939 H2O H2 3 0.423800 1.0079 0 - 10834 H2O 2940 H2O O1 4 -0.847600 15.9994 0 - 10835 H2O 2940 H2O H1 3 0.423800 1.0079 0 - 10836 H2O 2940 H2O H2 3 0.423800 1.0079 0 - 10837 H2O 2941 H2O O1 4 -0.847600 15.9994 0 - 10838 H2O 2941 H2O H1 3 0.423800 1.0079 0 - 10839 H2O 2941 H2O H2 3 0.423800 1.0079 0 - 10840 H2O 2942 H2O O1 4 -0.847600 15.9994 0 - 10841 H2O 2942 H2O H1 3 0.423800 1.0079 0 - 10842 H2O 2942 H2O H2 3 0.423800 1.0079 0 - 10843 H2O 2943 H2O O1 4 -0.847600 15.9994 0 - 10844 H2O 2943 H2O H1 3 0.423800 1.0079 0 - 10845 H2O 2943 H2O H2 3 0.423800 1.0079 0 - 10846 H2O 2944 H2O O1 4 -0.847600 15.9994 0 - 10847 H2O 2944 H2O H1 3 0.423800 1.0079 0 - 10848 H2O 2944 H2O H2 3 0.423800 1.0079 0 - 10849 H2O 2945 H2O O1 4 -0.847600 15.9994 0 - 10850 H2O 2945 H2O H1 3 0.423800 1.0079 0 - 10851 H2O 2945 H2O H2 3 0.423800 1.0079 0 - 10852 H2O 2946 H2O O1 4 -0.847600 15.9994 0 - 10853 H2O 2946 H2O H1 3 0.423800 1.0079 0 - 10854 H2O 2946 H2O H2 3 0.423800 1.0079 0 - 10855 H2O 2947 H2O O1 4 -0.847600 15.9994 0 - 10856 H2O 2947 H2O H1 3 0.423800 1.0079 0 - 10857 H2O 2947 H2O H2 3 0.423800 1.0079 0 - 10858 H2O 2948 H2O O1 4 -0.847600 15.9994 0 - 10859 H2O 2948 H2O H1 3 0.423800 1.0079 0 - 10860 H2O 2948 H2O H2 3 0.423800 1.0079 0 - 10861 H2O 2949 H2O O1 4 -0.847600 15.9994 0 - 10862 H2O 2949 H2O H1 3 0.423800 1.0079 0 - 10863 H2O 2949 H2O H2 3 0.423800 1.0079 0 - 10864 H2O 2950 H2O O1 4 -0.847600 15.9994 0 - 10865 H2O 2950 H2O H1 3 0.423800 1.0079 0 - 10866 H2O 2950 H2O H2 3 0.423800 1.0079 0 - 10867 H2O 2951 H2O O1 4 -0.847600 15.9994 0 - 10868 H2O 2951 H2O H1 3 0.423800 1.0079 0 - 10869 H2O 2951 H2O H2 3 0.423800 1.0079 0 - 10870 H2O 2952 H2O O1 4 -0.847600 15.9994 0 - 10871 H2O 2952 H2O H1 3 0.423800 1.0079 0 - 10872 H2O 2952 H2O H2 3 0.423800 1.0079 0 - 10873 H2O 2953 H2O O1 4 -0.847600 15.9994 0 - 10874 H2O 2953 H2O H1 3 0.423800 1.0079 0 - 10875 H2O 2953 H2O H2 3 0.423800 1.0079 0 - 10876 H2O 2954 H2O O1 4 -0.847600 15.9994 0 - 10877 H2O 2954 H2O H1 3 0.423800 1.0079 0 - 10878 H2O 2954 H2O H2 3 0.423800 1.0079 0 - 10879 H2O 2955 H2O O1 4 -0.847600 15.9994 0 - 10880 H2O 2955 H2O H1 3 0.423800 1.0079 0 - 10881 H2O 2955 H2O H2 3 0.423800 1.0079 0 - 10882 H2O 2956 H2O O1 4 -0.847600 15.9994 0 - 10883 H2O 2956 H2O H1 3 0.423800 1.0079 0 - 10884 H2O 2956 H2O H2 3 0.423800 1.0079 0 - 10885 H2O 2957 H2O O1 4 -0.847600 15.9994 0 - 10886 H2O 2957 H2O H1 3 0.423800 1.0079 0 - 10887 H2O 2957 H2O H2 3 0.423800 1.0079 0 - 10888 H2O 2958 H2O O1 4 -0.847600 15.9994 0 - 10889 H2O 2958 H2O H1 3 0.423800 1.0079 0 - 10890 H2O 2958 H2O H2 3 0.423800 1.0079 0 - 10891 H2O 2959 H2O O1 4 -0.847600 15.9994 0 - 10892 H2O 2959 H2O H1 3 0.423800 1.0079 0 - 10893 H2O 2959 H2O H2 3 0.423800 1.0079 0 - 10894 H2O 2960 H2O O1 4 -0.847600 15.9994 0 - 10895 H2O 2960 H2O H1 3 0.423800 1.0079 0 - 10896 H2O 2960 H2O H2 3 0.423800 1.0079 0 - 10897 H2O 2961 H2O O1 4 -0.847600 15.9994 0 - 10898 H2O 2961 H2O H1 3 0.423800 1.0079 0 - 10899 H2O 2961 H2O H2 3 0.423800 1.0079 0 - 10900 H2O 2962 H2O O1 4 -0.847600 15.9994 0 - 10901 H2O 2962 H2O H1 3 0.423800 1.0079 0 - 10902 H2O 2962 H2O H2 3 0.423800 1.0079 0 - 10903 H2O 2963 H2O O1 4 -0.847600 15.9994 0 - 10904 H2O 2963 H2O H1 3 0.423800 1.0079 0 - 10905 H2O 2963 H2O H2 3 0.423800 1.0079 0 - 10906 H2O 2964 H2O O1 4 -0.847600 15.9994 0 - 10907 H2O 2964 H2O H1 3 0.423800 1.0079 0 - 10908 H2O 2964 H2O H2 3 0.423800 1.0079 0 - 10909 H2O 2965 H2O O1 4 -0.847600 15.9994 0 - 10910 H2O 2965 H2O H1 3 0.423800 1.0079 0 - 10911 H2O 2965 H2O H2 3 0.423800 1.0079 0 - 10912 H2O 2966 H2O O1 4 -0.847600 15.9994 0 - 10913 H2O 2966 H2O H1 3 0.423800 1.0079 0 - 10914 H2O 2966 H2O H2 3 0.423800 1.0079 0 - 10915 H2O 2967 H2O O1 4 -0.847600 15.9994 0 - 10916 H2O 2967 H2O H1 3 0.423800 1.0079 0 - 10917 H2O 2967 H2O H2 3 0.423800 1.0079 0 - 10918 H2O 2968 H2O O1 4 -0.847600 15.9994 0 - 10919 H2O 2968 H2O H1 3 0.423800 1.0079 0 - 10920 H2O 2968 H2O H2 3 0.423800 1.0079 0 - 10921 H2O 2969 H2O O1 4 -0.847600 15.9994 0 - 10922 H2O 2969 H2O H1 3 0.423800 1.0079 0 - 10923 H2O 2969 H2O H2 3 0.423800 1.0079 0 - 10924 H2O 2970 H2O O1 4 -0.847600 15.9994 0 - 10925 H2O 2970 H2O H1 3 0.423800 1.0079 0 - 10926 H2O 2970 H2O H2 3 0.423800 1.0079 0 - 10927 H2O 2971 H2O O1 4 -0.847600 15.9994 0 - 10928 H2O 2971 H2O H1 3 0.423800 1.0079 0 - 10929 H2O 2971 H2O H2 3 0.423800 1.0079 0 - 10930 H2O 2972 H2O O1 4 -0.847600 15.9994 0 - 10931 H2O 2972 H2O H1 3 0.423800 1.0079 0 - 10932 H2O 2972 H2O H2 3 0.423800 1.0079 0 - 10933 H2O 2973 H2O O1 4 -0.847600 15.9994 0 - 10934 H2O 2973 H2O H1 3 0.423800 1.0079 0 - 10935 H2O 2973 H2O H2 3 0.423800 1.0079 0 - 10936 H2O 2974 H2O O1 4 -0.847600 15.9994 0 - 10937 H2O 2974 H2O H1 3 0.423800 1.0079 0 - 10938 H2O 2974 H2O H2 3 0.423800 1.0079 0 - 10939 H2O 2975 H2O O1 4 -0.847600 15.9994 0 - 10940 H2O 2975 H2O H1 3 0.423800 1.0079 0 - 10941 H2O 2975 H2O H2 3 0.423800 1.0079 0 - 10942 H2O 2976 H2O O1 4 -0.847600 15.9994 0 - 10943 H2O 2976 H2O H1 3 0.423800 1.0079 0 - 10944 H2O 2976 H2O H2 3 0.423800 1.0079 0 - 10945 H2O 2977 H2O O1 4 -0.847600 15.9994 0 - 10946 H2O 2977 H2O H1 3 0.423800 1.0079 0 - 10947 H2O 2977 H2O H2 3 0.423800 1.0079 0 - 10948 H2O 2978 H2O O1 4 -0.847600 15.9994 0 - 10949 H2O 2978 H2O H1 3 0.423800 1.0079 0 - 10950 H2O 2978 H2O H2 3 0.423800 1.0079 0 - 10951 H2O 2979 H2O O1 4 -0.847600 15.9994 0 - 10952 H2O 2979 H2O H1 3 0.423800 1.0079 0 - 10953 H2O 2979 H2O H2 3 0.423800 1.0079 0 - 10954 H2O 2980 H2O O1 4 -0.847600 15.9994 0 - 10955 H2O 2980 H2O H1 3 0.423800 1.0079 0 - 10956 H2O 2980 H2O H2 3 0.423800 1.0079 0 - 10957 H2O 2981 H2O O1 4 -0.847600 15.9994 0 - 10958 H2O 2981 H2O H1 3 0.423800 1.0079 0 - 10959 H2O 2981 H2O H2 3 0.423800 1.0079 0 - 10960 H2O 2982 H2O O1 4 -0.847600 15.9994 0 - 10961 H2O 2982 H2O H1 3 0.423800 1.0079 0 - 10962 H2O 2982 H2O H2 3 0.423800 1.0079 0 - 10963 H2O 2983 H2O O1 4 -0.847600 15.9994 0 - 10964 H2O 2983 H2O H1 3 0.423800 1.0079 0 - 10965 H2O 2983 H2O H2 3 0.423800 1.0079 0 - 10966 H2O 2984 H2O O1 4 -0.847600 15.9994 0 - 10967 H2O 2984 H2O H1 3 0.423800 1.0079 0 - 10968 H2O 2984 H2O H2 3 0.423800 1.0079 0 - 10969 H2O 2985 H2O O1 4 -0.847600 15.9994 0 - 10970 H2O 2985 H2O H1 3 0.423800 1.0079 0 - 10971 H2O 2985 H2O H2 3 0.423800 1.0079 0 - 10972 H2O 2986 H2O O1 4 -0.847600 15.9994 0 - 10973 H2O 2986 H2O H1 3 0.423800 1.0079 0 - 10974 H2O 2986 H2O H2 3 0.423800 1.0079 0 - 10975 H2O 2987 H2O O1 4 -0.847600 15.9994 0 - 10976 H2O 2987 H2O H1 3 0.423800 1.0079 0 - 10977 H2O 2987 H2O H2 3 0.423800 1.0079 0 - 10978 H2O 2988 H2O O1 4 -0.847600 15.9994 0 - 10979 H2O 2988 H2O H1 3 0.423800 1.0079 0 - 10980 H2O 2988 H2O H2 3 0.423800 1.0079 0 - 10981 H2O 2989 H2O O1 4 -0.847600 15.9994 0 - 10982 H2O 2989 H2O H1 3 0.423800 1.0079 0 - 10983 H2O 2989 H2O H2 3 0.423800 1.0079 0 - 10984 H2O 2990 H2O O1 4 -0.847600 15.9994 0 - 10985 H2O 2990 H2O H1 3 0.423800 1.0079 0 - 10986 H2O 2990 H2O H2 3 0.423800 1.0079 0 - 10987 H2O 2991 H2O O1 4 -0.847600 15.9994 0 - 10988 H2O 2991 H2O H1 3 0.423800 1.0079 0 - 10989 H2O 2991 H2O H2 3 0.423800 1.0079 0 - 10990 H2O 2992 H2O O1 4 -0.847600 15.9994 0 - 10991 H2O 2992 H2O H1 3 0.423800 1.0079 0 - 10992 H2O 2992 H2O H2 3 0.423800 1.0079 0 - 10993 H2O 2993 H2O O1 4 -0.847600 15.9994 0 - 10994 H2O 2993 H2O H1 3 0.423800 1.0079 0 - 10995 H2O 2993 H2O H2 3 0.423800 1.0079 0 - 10996 H2O 2994 H2O O1 4 -0.847600 15.9994 0 - 10997 H2O 2994 H2O H1 3 0.423800 1.0079 0 - 10998 H2O 2994 H2O H2 3 0.423800 1.0079 0 - 10999 H2O 2995 H2O O1 4 -0.847600 15.9994 0 - 11000 H2O 2995 H2O H1 3 0.423800 1.0079 0 - 11001 H2O 2995 H2O H2 3 0.423800 1.0079 0 - 11002 H2O 2996 H2O O1 4 -0.847600 15.9994 0 - 11003 H2O 2996 H2O H1 3 0.423800 1.0079 0 - 11004 H2O 2996 H2O H2 3 0.423800 1.0079 0 - 11005 H2O 2997 H2O O1 4 -0.847600 15.9994 0 - 11006 H2O 2997 H2O H1 3 0.423800 1.0079 0 - 11007 H2O 2997 H2O H2 3 0.423800 1.0079 0 - 11008 H2O 2998 H2O O1 4 -0.847600 15.9994 0 - 11009 H2O 2998 H2O H1 3 0.423800 1.0079 0 - 11010 H2O 2998 H2O H2 3 0.423800 1.0079 0 - 11011 H2O 2999 H2O O1 4 -0.847600 15.9994 0 - 11012 H2O 2999 H2O H1 3 0.423800 1.0079 0 - 11013 H2O 2999 H2O H2 3 0.423800 1.0079 0 - 11014 H2O 3000 H2O O1 4 -0.847600 15.9994 0 - 11015 H2O 3000 H2O H1 3 0.423800 1.0079 0 - 11016 H2O 3000 H2O H2 3 0.423800 1.0079 0 - 11017 H2O 3001 H2O O1 4 -0.847600 15.9994 0 - 11018 H2O 3001 H2O H1 3 0.423800 1.0079 0 - 11019 H2O 3001 H2O H2 3 0.423800 1.0079 0 - 11020 H2O 3002 H2O O1 4 -0.847600 15.9994 0 - 11021 H2O 3002 H2O H1 3 0.423800 1.0079 0 - 11022 H2O 3002 H2O H2 3 0.423800 1.0079 0 - 11023 H2O 3003 H2O O1 4 -0.847600 15.9994 0 - 11024 H2O 3003 H2O H1 3 0.423800 1.0079 0 - 11025 H2O 3003 H2O H2 3 0.423800 1.0079 0 - 11026 H2O 3004 H2O O1 4 -0.847600 15.9994 0 - 11027 H2O 3004 H2O H1 3 0.423800 1.0079 0 - 11028 H2O 3004 H2O H2 3 0.423800 1.0079 0 - 11029 H2O 3005 H2O O1 4 -0.847600 15.9994 0 - 11030 H2O 3005 H2O H1 3 0.423800 1.0079 0 - 11031 H2O 3005 H2O H2 3 0.423800 1.0079 0 - 11032 H2O 3006 H2O O1 4 -0.847600 15.9994 0 - 11033 H2O 3006 H2O H1 3 0.423800 1.0079 0 - 11034 H2O 3006 H2O H2 3 0.423800 1.0079 0 - 11035 H2O 3007 H2O O1 4 -0.847600 15.9994 0 - 11036 H2O 3007 H2O H1 3 0.423800 1.0079 0 - 11037 H2O 3007 H2O H2 3 0.423800 1.0079 0 - 11038 H2O 3008 H2O O1 4 -0.847600 15.9994 0 - 11039 H2O 3008 H2O H1 3 0.423800 1.0079 0 - 11040 H2O 3008 H2O H2 3 0.423800 1.0079 0 - 11041 H2O 3009 H2O O1 4 -0.847600 15.9994 0 - 11042 H2O 3009 H2O H1 3 0.423800 1.0079 0 - 11043 H2O 3009 H2O H2 3 0.423800 1.0079 0 - 11044 H2O 3010 H2O O1 4 -0.847600 15.9994 0 - 11045 H2O 3010 H2O H1 3 0.423800 1.0079 0 - 11046 H2O 3010 H2O H2 3 0.423800 1.0079 0 - 11047 H2O 3011 H2O O1 4 -0.847600 15.9994 0 - 11048 H2O 3011 H2O H1 3 0.423800 1.0079 0 - 11049 H2O 3011 H2O H2 3 0.423800 1.0079 0 - 11050 H2O 3012 H2O O1 4 -0.847600 15.9994 0 - 11051 H2O 3012 H2O H1 3 0.423800 1.0079 0 - 11052 H2O 3012 H2O H2 3 0.423800 1.0079 0 - 11053 H2O 3013 H2O O1 4 -0.847600 15.9994 0 - 11054 H2O 3013 H2O H1 3 0.423800 1.0079 0 - 11055 H2O 3013 H2O H2 3 0.423800 1.0079 0 - 11056 H2O 3014 H2O O1 4 -0.847600 15.9994 0 - 11057 H2O 3014 H2O H1 3 0.423800 1.0079 0 - 11058 H2O 3014 H2O H2 3 0.423800 1.0079 0 - 11059 H2O 3015 H2O O1 4 -0.847600 15.9994 0 - 11060 H2O 3015 H2O H1 3 0.423800 1.0079 0 - 11061 H2O 3015 H2O H2 3 0.423800 1.0079 0 - 11062 H2O 3016 H2O O1 4 -0.847600 15.9994 0 - 11063 H2O 3016 H2O H1 3 0.423800 1.0079 0 - 11064 H2O 3016 H2O H2 3 0.423800 1.0079 0 - 11065 H2O 3017 H2O O1 4 -0.847600 15.9994 0 - 11066 H2O 3017 H2O H1 3 0.423800 1.0079 0 - 11067 H2O 3017 H2O H2 3 0.423800 1.0079 0 - 11068 H2O 3018 H2O O1 4 -0.847600 15.9994 0 - 11069 H2O 3018 H2O H1 3 0.423800 1.0079 0 - 11070 H2O 3018 H2O H2 3 0.423800 1.0079 0 - 11071 H2O 3019 H2O O1 4 -0.847600 15.9994 0 - 11072 H2O 3019 H2O H1 3 0.423800 1.0079 0 - 11073 H2O 3019 H2O H2 3 0.423800 1.0079 0 - 11074 H2O 3020 H2O O1 4 -0.847600 15.9994 0 - 11075 H2O 3020 H2O H1 3 0.423800 1.0079 0 - 11076 H2O 3020 H2O H2 3 0.423800 1.0079 0 - 11077 H2O 3021 H2O O1 4 -0.847600 15.9994 0 - 11078 H2O 3021 H2O H1 3 0.423800 1.0079 0 - 11079 H2O 3021 H2O H2 3 0.423800 1.0079 0 - 11080 H2O 3022 H2O O1 4 -0.847600 15.9994 0 - 11081 H2O 3022 H2O H1 3 0.423800 1.0079 0 - 11082 H2O 3022 H2O H2 3 0.423800 1.0079 0 - 11083 H2O 3023 H2O O1 4 -0.847600 15.9994 0 - 11084 H2O 3023 H2O H1 3 0.423800 1.0079 0 - 11085 H2O 3023 H2O H2 3 0.423800 1.0079 0 - 11086 H2O 3024 H2O O1 4 -0.847600 15.9994 0 - 11087 H2O 3024 H2O H1 3 0.423800 1.0079 0 - 11088 H2O 3024 H2O H2 3 0.423800 1.0079 0 - 11089 H2O 3025 H2O O1 4 -0.847600 15.9994 0 - 11090 H2O 3025 H2O H1 3 0.423800 1.0079 0 - 11091 H2O 3025 H2O H2 3 0.423800 1.0079 0 - 11092 H2O 3026 H2O O1 4 -0.847600 15.9994 0 - 11093 H2O 3026 H2O H1 3 0.423800 1.0079 0 - 11094 H2O 3026 H2O H2 3 0.423800 1.0079 0 - 11095 H2O 3027 H2O O1 4 -0.847600 15.9994 0 - 11096 H2O 3027 H2O H1 3 0.423800 1.0079 0 - 11097 H2O 3027 H2O H2 3 0.423800 1.0079 0 - 11098 H2O 3028 H2O O1 4 -0.847600 15.9994 0 - 11099 H2O 3028 H2O H1 3 0.423800 1.0079 0 - 11100 H2O 3028 H2O H2 3 0.423800 1.0079 0 - 11101 H2O 3029 H2O O1 4 -0.847600 15.9994 0 - 11102 H2O 3029 H2O H1 3 0.423800 1.0079 0 - 11103 H2O 3029 H2O H2 3 0.423800 1.0079 0 - 11104 H2O 3030 H2O O1 4 -0.847600 15.9994 0 - 11105 H2O 3030 H2O H1 3 0.423800 1.0079 0 - 11106 H2O 3030 H2O H2 3 0.423800 1.0079 0 - 11107 H2O 3031 H2O O1 4 -0.847600 15.9994 0 - 11108 H2O 3031 H2O H1 3 0.423800 1.0079 0 - 11109 H2O 3031 H2O H2 3 0.423800 1.0079 0 - 11110 H2O 3032 H2O O1 4 -0.847600 15.9994 0 - 11111 H2O 3032 H2O H1 3 0.423800 1.0079 0 - 11112 H2O 3032 H2O H2 3 0.423800 1.0079 0 - 11113 H2O 3033 H2O O1 4 -0.847600 15.9994 0 - 11114 H2O 3033 H2O H1 3 0.423800 1.0079 0 - 11115 H2O 3033 H2O H2 3 0.423800 1.0079 0 - 11116 H2O 3034 H2O O1 4 -0.847600 15.9994 0 - 11117 H2O 3034 H2O H1 3 0.423800 1.0079 0 - 11118 H2O 3034 H2O H2 3 0.423800 1.0079 0 - 11119 H2O 3035 H2O O1 4 -0.847600 15.9994 0 - 11120 H2O 3035 H2O H1 3 0.423800 1.0079 0 - 11121 H2O 3035 H2O H2 3 0.423800 1.0079 0 - 11122 H2O 3036 H2O O1 4 -0.847600 15.9994 0 - 11123 H2O 3036 H2O H1 3 0.423800 1.0079 0 - 11124 H2O 3036 H2O H2 3 0.423800 1.0079 0 - 11125 H2O 3037 H2O O1 4 -0.847600 15.9994 0 - 11126 H2O 3037 H2O H1 3 0.423800 1.0079 0 - 11127 H2O 3037 H2O H2 3 0.423800 1.0079 0 - 11128 H2O 3038 H2O O1 4 -0.847600 15.9994 0 - 11129 H2O 3038 H2O H1 3 0.423800 1.0079 0 - 11130 H2O 3038 H2O H2 3 0.423800 1.0079 0 - 11131 H2O 3039 H2O O1 4 -0.847600 15.9994 0 - 11132 H2O 3039 H2O H1 3 0.423800 1.0079 0 - 11133 H2O 3039 H2O H2 3 0.423800 1.0079 0 - 11134 H2O 3040 H2O O1 4 -0.847600 15.9994 0 - 11135 H2O 3040 H2O H1 3 0.423800 1.0079 0 - 11136 H2O 3040 H2O H2 3 0.423800 1.0079 0 - 11137 H2O 3041 H2O O1 4 -0.847600 15.9994 0 - 11138 H2O 3041 H2O H1 3 0.423800 1.0079 0 - 11139 H2O 3041 H2O H2 3 0.423800 1.0079 0 - 11140 H2O 3042 H2O O1 4 -0.847600 15.9994 0 - 11141 H2O 3042 H2O H1 3 0.423800 1.0079 0 - 11142 H2O 3042 H2O H2 3 0.423800 1.0079 0 - 11143 H2O 3043 H2O O1 4 -0.847600 15.9994 0 - 11144 H2O 3043 H2O H1 3 0.423800 1.0079 0 - 11145 H2O 3043 H2O H2 3 0.423800 1.0079 0 - 11146 H2O 3044 H2O O1 4 -0.847600 15.9994 0 - 11147 H2O 3044 H2O H1 3 0.423800 1.0079 0 - 11148 H2O 3044 H2O H2 3 0.423800 1.0079 0 - 11149 H2O 3045 H2O O1 4 -0.847600 15.9994 0 - 11150 H2O 3045 H2O H1 3 0.423800 1.0079 0 - 11151 H2O 3045 H2O H2 3 0.423800 1.0079 0 - 11152 H2O 3046 H2O O1 4 -0.847600 15.9994 0 - 11153 H2O 3046 H2O H1 3 0.423800 1.0079 0 - 11154 H2O 3046 H2O H2 3 0.423800 1.0079 0 - 11155 H2O 3047 H2O O1 4 -0.847600 15.9994 0 - 11156 H2O 3047 H2O H1 3 0.423800 1.0079 0 - 11157 H2O 3047 H2O H2 3 0.423800 1.0079 0 - 11158 H2O 3048 H2O O1 4 -0.847600 15.9994 0 - 11159 H2O 3048 H2O H1 3 0.423800 1.0079 0 - 11160 H2O 3048 H2O H2 3 0.423800 1.0079 0 - 11161 H2O 3049 H2O O1 4 -0.847600 15.9994 0 - 11162 H2O 3049 H2O H1 3 0.423800 1.0079 0 - 11163 H2O 3049 H2O H2 3 0.423800 1.0079 0 - 11164 H2O 3050 H2O O1 4 -0.847600 15.9994 0 - 11165 H2O 3050 H2O H1 3 0.423800 1.0079 0 - 11166 H2O 3050 H2O H2 3 0.423800 1.0079 0 - 11167 H2O 3051 H2O O1 4 -0.847600 15.9994 0 - 11168 H2O 3051 H2O H1 3 0.423800 1.0079 0 - 11169 H2O 3051 H2O H2 3 0.423800 1.0079 0 - 11170 H2O 3052 H2O O1 4 -0.847600 15.9994 0 - 11171 H2O 3052 H2O H1 3 0.423800 1.0079 0 - 11172 H2O 3052 H2O H2 3 0.423800 1.0079 0 - 11173 H2O 3053 H2O O1 4 -0.847600 15.9994 0 - 11174 H2O 3053 H2O H1 3 0.423800 1.0079 0 - 11175 H2O 3053 H2O H2 3 0.423800 1.0079 0 - 11176 H2O 3054 H2O O1 4 -0.847600 15.9994 0 - 11177 H2O 3054 H2O H1 3 0.423800 1.0079 0 - 11178 H2O 3054 H2O H2 3 0.423800 1.0079 0 - 11179 H2O 3055 H2O O1 4 -0.847600 15.9994 0 - 11180 H2O 3055 H2O H1 3 0.423800 1.0079 0 - 11181 H2O 3055 H2O H2 3 0.423800 1.0079 0 - 11182 H2O 3056 H2O O1 4 -0.847600 15.9994 0 - 11183 H2O 3056 H2O H1 3 0.423800 1.0079 0 - 11184 H2O 3056 H2O H2 3 0.423800 1.0079 0 - 11185 H2O 3057 H2O O1 4 -0.847600 15.9994 0 - 11186 H2O 3057 H2O H1 3 0.423800 1.0079 0 - 11187 H2O 3057 H2O H2 3 0.423800 1.0079 0 - 11188 H2O 3058 H2O O1 4 -0.847600 15.9994 0 - 11189 H2O 3058 H2O H1 3 0.423800 1.0079 0 - 11190 H2O 3058 H2O H2 3 0.423800 1.0079 0 - 11191 H2O 3059 H2O O1 4 -0.847600 15.9994 0 - 11192 H2O 3059 H2O H1 3 0.423800 1.0079 0 - 11193 H2O 3059 H2O H2 3 0.423800 1.0079 0 - 11194 H2O 3060 H2O O1 4 -0.847600 15.9994 0 - 11195 H2O 3060 H2O H1 3 0.423800 1.0079 0 - 11196 H2O 3060 H2O H2 3 0.423800 1.0079 0 - 11197 H2O 3061 H2O O1 4 -0.847600 15.9994 0 - 11198 H2O 3061 H2O H1 3 0.423800 1.0079 0 - 11199 H2O 3061 H2O H2 3 0.423800 1.0079 0 - 11200 H2O 3062 H2O O1 4 -0.847600 15.9994 0 - 11201 H2O 3062 H2O H1 3 0.423800 1.0079 0 - 11202 H2O 3062 H2O H2 3 0.423800 1.0079 0 - 11203 H2O 3063 H2O O1 4 -0.847600 15.9994 0 - 11204 H2O 3063 H2O H1 3 0.423800 1.0079 0 - 11205 H2O 3063 H2O H2 3 0.423800 1.0079 0 - 11206 H2O 3064 H2O O1 4 -0.847600 15.9994 0 - 11207 H2O 3064 H2O H1 3 0.423800 1.0079 0 - 11208 H2O 3064 H2O H2 3 0.423800 1.0079 0 - 11209 H2O 3065 H2O O1 4 -0.847600 15.9994 0 - 11210 H2O 3065 H2O H1 3 0.423800 1.0079 0 - 11211 H2O 3065 H2O H2 3 0.423800 1.0079 0 - 11212 H2O 3066 H2O O1 4 -0.847600 15.9994 0 - 11213 H2O 3066 H2O H1 3 0.423800 1.0079 0 - 11214 H2O 3066 H2O H2 3 0.423800 1.0079 0 - 11215 H2O 3067 H2O O1 4 -0.847600 15.9994 0 - 11216 H2O 3067 H2O H1 3 0.423800 1.0079 0 - 11217 H2O 3067 H2O H2 3 0.423800 1.0079 0 - 11218 H2O 3068 H2O O1 4 -0.847600 15.9994 0 - 11219 H2O 3068 H2O H1 3 0.423800 1.0079 0 - 11220 H2O 3068 H2O H2 3 0.423800 1.0079 0 - 11221 H2O 3069 H2O O1 4 -0.847600 15.9994 0 - 11222 H2O 3069 H2O H1 3 0.423800 1.0079 0 - 11223 H2O 3069 H2O H2 3 0.423800 1.0079 0 - 11224 H2O 3070 H2O O1 4 -0.847600 15.9994 0 - 11225 H2O 3070 H2O H1 3 0.423800 1.0079 0 - 11226 H2O 3070 H2O H2 3 0.423800 1.0079 0 - 11227 H2O 3071 H2O O1 4 -0.847600 15.9994 0 - 11228 H2O 3071 H2O H1 3 0.423800 1.0079 0 - 11229 H2O 3071 H2O H2 3 0.423800 1.0079 0 - 11230 H2O 3072 H2O O1 4 -0.847600 15.9994 0 - 11231 H2O 3072 H2O H1 3 0.423800 1.0079 0 - 11232 H2O 3072 H2O H2 3 0.423800 1.0079 0 - 11233 H2O 3073 H2O O1 4 -0.847600 15.9994 0 - 11234 H2O 3073 H2O H1 3 0.423800 1.0079 0 - 11235 H2O 3073 H2O H2 3 0.423800 1.0079 0 - 11236 H2O 3074 H2O O1 4 -0.847600 15.9994 0 - 11237 H2O 3074 H2O H1 3 0.423800 1.0079 0 - 11238 H2O 3074 H2O H2 3 0.423800 1.0079 0 - 11239 H2O 3075 H2O O1 4 -0.847600 15.9994 0 - 11240 H2O 3075 H2O H1 3 0.423800 1.0079 0 - 11241 H2O 3075 H2O H2 3 0.423800 1.0079 0 - 11242 H2O 3076 H2O O1 4 -0.847600 15.9994 0 - 11243 H2O 3076 H2O H1 3 0.423800 1.0079 0 - 11244 H2O 3076 H2O H2 3 0.423800 1.0079 0 - 11245 H2O 3077 H2O O1 4 -0.847600 15.9994 0 - 11246 H2O 3077 H2O H1 3 0.423800 1.0079 0 - 11247 H2O 3077 H2O H2 3 0.423800 1.0079 0 - 11248 H2O 3078 H2O O1 4 -0.847600 15.9994 0 - 11249 H2O 3078 H2O H1 3 0.423800 1.0079 0 - 11250 H2O 3078 H2O H2 3 0.423800 1.0079 0 - 11251 H2O 3079 H2O O1 4 -0.847600 15.9994 0 - 11252 H2O 3079 H2O H1 3 0.423800 1.0079 0 - 11253 H2O 3079 H2O H2 3 0.423800 1.0079 0 - 11254 H2O 3080 H2O O1 4 -0.847600 15.9994 0 - 11255 H2O 3080 H2O H1 3 0.423800 1.0079 0 - 11256 H2O 3080 H2O H2 3 0.423800 1.0079 0 - 11257 H2O 3081 H2O O1 4 -0.847600 15.9994 0 - 11258 H2O 3081 H2O H1 3 0.423800 1.0079 0 - 11259 H2O 3081 H2O H2 3 0.423800 1.0079 0 - 11260 H2O 3082 H2O O1 4 -0.847600 15.9994 0 - 11261 H2O 3082 H2O H1 3 0.423800 1.0079 0 - 11262 H2O 3082 H2O H2 3 0.423800 1.0079 0 - 11263 H2O 3083 H2O O1 4 -0.847600 15.9994 0 - 11264 H2O 3083 H2O H1 3 0.423800 1.0079 0 - 11265 H2O 3083 H2O H2 3 0.423800 1.0079 0 - 11266 H2O 3084 H2O O1 4 -0.847600 15.9994 0 - 11267 H2O 3084 H2O H1 3 0.423800 1.0079 0 - 11268 H2O 3084 H2O H2 3 0.423800 1.0079 0 - 11269 H2O 3085 H2O O1 4 -0.847600 15.9994 0 - 11270 H2O 3085 H2O H1 3 0.423800 1.0079 0 - 11271 H2O 3085 H2O H2 3 0.423800 1.0079 0 - 11272 H2O 3086 H2O O1 4 -0.847600 15.9994 0 - 11273 H2O 3086 H2O H1 3 0.423800 1.0079 0 - 11274 H2O 3086 H2O H2 3 0.423800 1.0079 0 - 11275 H2O 3087 H2O O1 4 -0.847600 15.9994 0 - 11276 H2O 3087 H2O H1 3 0.423800 1.0079 0 - 11277 H2O 3087 H2O H2 3 0.423800 1.0079 0 - 11278 H2O 3088 H2O O1 4 -0.847600 15.9994 0 - 11279 H2O 3088 H2O H1 3 0.423800 1.0079 0 - 11280 H2O 3088 H2O H2 3 0.423800 1.0079 0 - 11281 H2O 3089 H2O O1 4 -0.847600 15.9994 0 - 11282 H2O 3089 H2O H1 3 0.423800 1.0079 0 - 11283 H2O 3089 H2O H2 3 0.423800 1.0079 0 - 11284 H2O 3090 H2O O1 4 -0.847600 15.9994 0 - 11285 H2O 3090 H2O H1 3 0.423800 1.0079 0 - 11286 H2O 3090 H2O H2 3 0.423800 1.0079 0 - 11287 H2O 3091 H2O O1 4 -0.847600 15.9994 0 - 11288 H2O 3091 H2O H1 3 0.423800 1.0079 0 - 11289 H2O 3091 H2O H2 3 0.423800 1.0079 0 - 11290 H2O 3092 H2O O1 4 -0.847600 15.9994 0 - 11291 H2O 3092 H2O H1 3 0.423800 1.0079 0 - 11292 H2O 3092 H2O H2 3 0.423800 1.0079 0 - 11293 H2O 3093 H2O O1 4 -0.847600 15.9994 0 - 11294 H2O 3093 H2O H1 3 0.423800 1.0079 0 - 11295 H2O 3093 H2O H2 3 0.423800 1.0079 0 - 11296 H2O 3094 H2O O1 4 -0.847600 15.9994 0 - 11297 H2O 3094 H2O H1 3 0.423800 1.0079 0 - 11298 H2O 3094 H2O H2 3 0.423800 1.0079 0 - 11299 H2O 3095 H2O O1 4 -0.847600 15.9994 0 - 11300 H2O 3095 H2O H1 3 0.423800 1.0079 0 - 11301 H2O 3095 H2O H2 3 0.423800 1.0079 0 - 11302 H2O 3096 H2O O1 4 -0.847600 15.9994 0 - 11303 H2O 3096 H2O H1 3 0.423800 1.0079 0 - 11304 H2O 3096 H2O H2 3 0.423800 1.0079 0 - 11305 H2O 3097 H2O O1 4 -0.847600 15.9994 0 - 11306 H2O 3097 H2O H1 3 0.423800 1.0079 0 - 11307 H2O 3097 H2O H2 3 0.423800 1.0079 0 - 11308 H2O 3098 H2O O1 4 -0.847600 15.9994 0 - 11309 H2O 3098 H2O H1 3 0.423800 1.0079 0 - 11310 H2O 3098 H2O H2 3 0.423800 1.0079 0 - 11311 H2O 3099 H2O O1 4 -0.847600 15.9994 0 - 11312 H2O 3099 H2O H1 3 0.423800 1.0079 0 - 11313 H2O 3099 H2O H2 3 0.423800 1.0079 0 - 11314 H2O 3100 H2O O1 4 -0.847600 15.9994 0 - 11315 H2O 3100 H2O H1 3 0.423800 1.0079 0 - 11316 H2O 3100 H2O H2 3 0.423800 1.0079 0 - 11317 H2O 3101 H2O O1 4 -0.847600 15.9994 0 - 11318 H2O 3101 H2O H1 3 0.423800 1.0079 0 - 11319 H2O 3101 H2O H2 3 0.423800 1.0079 0 - 11320 H2O 3102 H2O O1 4 -0.847600 15.9994 0 - 11321 H2O 3102 H2O H1 3 0.423800 1.0079 0 - 11322 H2O 3102 H2O H2 3 0.423800 1.0079 0 - 11323 H2O 3103 H2O O1 4 -0.847600 15.9994 0 - 11324 H2O 3103 H2O H1 3 0.423800 1.0079 0 - 11325 H2O 3103 H2O H2 3 0.423800 1.0079 0 - 11326 H2O 3104 H2O O1 4 -0.847600 15.9994 0 - 11327 H2O 3104 H2O H1 3 0.423800 1.0079 0 - 11328 H2O 3104 H2O H2 3 0.423800 1.0079 0 - 11329 H2O 3105 H2O O1 4 -0.847600 15.9994 0 - 11330 H2O 3105 H2O H1 3 0.423800 1.0079 0 - 11331 H2O 3105 H2O H2 3 0.423800 1.0079 0 - 11332 H2O 3106 H2O O1 4 -0.847600 15.9994 0 - 11333 H2O 3106 H2O H1 3 0.423800 1.0079 0 - 11334 H2O 3106 H2O H2 3 0.423800 1.0079 0 - 11335 H2O 3107 H2O O1 4 -0.847600 15.9994 0 - 11336 H2O 3107 H2O H1 3 0.423800 1.0079 0 - 11337 H2O 3107 H2O H2 3 0.423800 1.0079 0 - 11338 H2O 3108 H2O O1 4 -0.847600 15.9994 0 - 11339 H2O 3108 H2O H1 3 0.423800 1.0079 0 - 11340 H2O 3108 H2O H2 3 0.423800 1.0079 0 - 11341 H2O 3109 H2O O1 4 -0.847600 15.9994 0 - 11342 H2O 3109 H2O H1 3 0.423800 1.0079 0 - 11343 H2O 3109 H2O H2 3 0.423800 1.0079 0 - 11344 H2O 3110 H2O O1 4 -0.847600 15.9994 0 - 11345 H2O 3110 H2O H1 3 0.423800 1.0079 0 - 11346 H2O 3110 H2O H2 3 0.423800 1.0079 0 - 11347 H2O 3111 H2O O1 4 -0.847600 15.9994 0 - 11348 H2O 3111 H2O H1 3 0.423800 1.0079 0 - 11349 H2O 3111 H2O H2 3 0.423800 1.0079 0 - 11350 H2O 3112 H2O O1 4 -0.847600 15.9994 0 - 11351 H2O 3112 H2O H1 3 0.423800 1.0079 0 - 11352 H2O 3112 H2O H2 3 0.423800 1.0079 0 - 11353 H2O 3113 H2O O1 4 -0.847600 15.9994 0 - 11354 H2O 3113 H2O H1 3 0.423800 1.0079 0 - 11355 H2O 3113 H2O H2 3 0.423800 1.0079 0 - 11356 H2O 3114 H2O O1 4 -0.847600 15.9994 0 - 11357 H2O 3114 H2O H1 3 0.423800 1.0079 0 - 11358 H2O 3114 H2O H2 3 0.423800 1.0079 0 - 11359 H2O 3115 H2O O1 4 -0.847600 15.9994 0 - 11360 H2O 3115 H2O H1 3 0.423800 1.0079 0 - 11361 H2O 3115 H2O H2 3 0.423800 1.0079 0 - 11362 H2O 3116 H2O O1 4 -0.847600 15.9994 0 - 11363 H2O 3116 H2O H1 3 0.423800 1.0079 0 - 11364 H2O 3116 H2O H2 3 0.423800 1.0079 0 - 11365 H2O 3117 H2O O1 4 -0.847600 15.9994 0 - 11366 H2O 3117 H2O H1 3 0.423800 1.0079 0 - 11367 H2O 3117 H2O H2 3 0.423800 1.0079 0 - 11368 H2O 3118 H2O O1 4 -0.847600 15.9994 0 - 11369 H2O 3118 H2O H1 3 0.423800 1.0079 0 - 11370 H2O 3118 H2O H2 3 0.423800 1.0079 0 - 11371 H2O 3119 H2O O1 4 -0.847600 15.9994 0 - 11372 H2O 3119 H2O H1 3 0.423800 1.0079 0 - 11373 H2O 3119 H2O H2 3 0.423800 1.0079 0 - 11374 H2O 3120 H2O O1 4 -0.847600 15.9994 0 - 11375 H2O 3120 H2O H1 3 0.423800 1.0079 0 - 11376 H2O 3120 H2O H2 3 0.423800 1.0079 0 - 11377 H2O 3121 H2O O1 4 -0.847600 15.9994 0 - 11378 H2O 3121 H2O H1 3 0.423800 1.0079 0 - 11379 H2O 3121 H2O H2 3 0.423800 1.0079 0 - 11380 H2O 3122 H2O O1 4 -0.847600 15.9994 0 - 11381 H2O 3122 H2O H1 3 0.423800 1.0079 0 - 11382 H2O 3122 H2O H2 3 0.423800 1.0079 0 - 11383 H2O 3123 H2O O1 4 -0.847600 15.9994 0 - 11384 H2O 3123 H2O H1 3 0.423800 1.0079 0 - 11385 H2O 3123 H2O H2 3 0.423800 1.0079 0 - 11386 H2O 3124 H2O O1 4 -0.847600 15.9994 0 - 11387 H2O 3124 H2O H1 3 0.423800 1.0079 0 - 11388 H2O 3124 H2O H2 3 0.423800 1.0079 0 - 11389 H2O 3125 H2O O1 4 -0.847600 15.9994 0 - 11390 H2O 3125 H2O H1 3 0.423800 1.0079 0 - 11391 H2O 3125 H2O H2 3 0.423800 1.0079 0 - 11392 H2O 3126 H2O O1 4 -0.847600 15.9994 0 - 11393 H2O 3126 H2O H1 3 0.423800 1.0079 0 - 11394 H2O 3126 H2O H2 3 0.423800 1.0079 0 - 11395 H2O 3127 H2O O1 4 -0.847600 15.9994 0 - 11396 H2O 3127 H2O H1 3 0.423800 1.0079 0 - 11397 H2O 3127 H2O H2 3 0.423800 1.0079 0 - 11398 H2O 3128 H2O O1 4 -0.847600 15.9994 0 - 11399 H2O 3128 H2O H1 3 0.423800 1.0079 0 - 11400 H2O 3128 H2O H2 3 0.423800 1.0079 0 - 11401 H2O 3129 H2O O1 4 -0.847600 15.9994 0 - 11402 H2O 3129 H2O H1 3 0.423800 1.0079 0 - 11403 H2O 3129 H2O H2 3 0.423800 1.0079 0 - 11404 H2O 3130 H2O O1 4 -0.847600 15.9994 0 - 11405 H2O 3130 H2O H1 3 0.423800 1.0079 0 - 11406 H2O 3130 H2O H2 3 0.423800 1.0079 0 - 11407 H2O 3131 H2O O1 4 -0.847600 15.9994 0 - 11408 H2O 3131 H2O H1 3 0.423800 1.0079 0 - 11409 H2O 3131 H2O H2 3 0.423800 1.0079 0 - 11410 H2O 3132 H2O O1 4 -0.847600 15.9994 0 - 11411 H2O 3132 H2O H1 3 0.423800 1.0079 0 - 11412 H2O 3132 H2O H2 3 0.423800 1.0079 0 - 11413 H2O 3133 H2O O1 4 -0.847600 15.9994 0 - 11414 H2O 3133 H2O H1 3 0.423800 1.0079 0 - 11415 H2O 3133 H2O H2 3 0.423800 1.0079 0 - 11416 H2O 3134 H2O O1 4 -0.847600 15.9994 0 - 11417 H2O 3134 H2O H1 3 0.423800 1.0079 0 - 11418 H2O 3134 H2O H2 3 0.423800 1.0079 0 - 11419 H2O 3135 H2O O1 4 -0.847600 15.9994 0 - 11420 H2O 3135 H2O H1 3 0.423800 1.0079 0 - 11421 H2O 3135 H2O H2 3 0.423800 1.0079 0 - 11422 H2O 3136 H2O O1 4 -0.847600 15.9994 0 - 11423 H2O 3136 H2O H1 3 0.423800 1.0079 0 - 11424 H2O 3136 H2O H2 3 0.423800 1.0079 0 - 11425 H2O 3137 H2O O1 4 -0.847600 15.9994 0 - 11426 H2O 3137 H2O H1 3 0.423800 1.0079 0 - 11427 H2O 3137 H2O H2 3 0.423800 1.0079 0 - 11428 H2O 3138 H2O O1 4 -0.847600 15.9994 0 - 11429 H2O 3138 H2O H1 3 0.423800 1.0079 0 - 11430 H2O 3138 H2O H2 3 0.423800 1.0079 0 - 11431 H2O 3139 H2O O1 4 -0.847600 15.9994 0 - 11432 H2O 3139 H2O H1 3 0.423800 1.0079 0 - 11433 H2O 3139 H2O H2 3 0.423800 1.0079 0 - 11434 H2O 3140 H2O O1 4 -0.847600 15.9994 0 - 11435 H2O 3140 H2O H1 3 0.423800 1.0079 0 - 11436 H2O 3140 H2O H2 3 0.423800 1.0079 0 - 11437 H2O 3141 H2O O1 4 -0.847600 15.9994 0 - 11438 H2O 3141 H2O H1 3 0.423800 1.0079 0 - 11439 H2O 3141 H2O H2 3 0.423800 1.0079 0 - 11440 H2O 3142 H2O O1 4 -0.847600 15.9994 0 - 11441 H2O 3142 H2O H1 3 0.423800 1.0079 0 - 11442 H2O 3142 H2O H2 3 0.423800 1.0079 0 - 11443 H2O 3143 H2O O1 4 -0.847600 15.9994 0 - 11444 H2O 3143 H2O H1 3 0.423800 1.0079 0 - 11445 H2O 3143 H2O H2 3 0.423800 1.0079 0 - 11446 H2O 3144 H2O O1 4 -0.847600 15.9994 0 - 11447 H2O 3144 H2O H1 3 0.423800 1.0079 0 - 11448 H2O 3144 H2O H2 3 0.423800 1.0079 0 - 11449 H2O 3145 H2O O1 4 -0.847600 15.9994 0 - 11450 H2O 3145 H2O H1 3 0.423800 1.0079 0 - 11451 H2O 3145 H2O H2 3 0.423800 1.0079 0 - 11452 H2O 3146 H2O O1 4 -0.847600 15.9994 0 - 11453 H2O 3146 H2O H1 3 0.423800 1.0079 0 - 11454 H2O 3146 H2O H2 3 0.423800 1.0079 0 - 11455 H2O 3147 H2O O1 4 -0.847600 15.9994 0 - 11456 H2O 3147 H2O H1 3 0.423800 1.0079 0 - 11457 H2O 3147 H2O H2 3 0.423800 1.0079 0 - 11458 H2O 3148 H2O O1 4 -0.847600 15.9994 0 - 11459 H2O 3148 H2O H1 3 0.423800 1.0079 0 - 11460 H2O 3148 H2O H2 3 0.423800 1.0079 0 - 11461 H2O 3149 H2O O1 4 -0.847600 15.9994 0 - 11462 H2O 3149 H2O H1 3 0.423800 1.0079 0 - 11463 H2O 3149 H2O H2 3 0.423800 1.0079 0 - 11464 H2O 3150 H2O O1 4 -0.847600 15.9994 0 - 11465 H2O 3150 H2O H1 3 0.423800 1.0079 0 - 11466 H2O 3150 H2O H2 3 0.423800 1.0079 0 - 11467 H2O 3151 H2O O1 4 -0.847600 15.9994 0 - 11468 H2O 3151 H2O H1 3 0.423800 1.0079 0 - 11469 H2O 3151 H2O H2 3 0.423800 1.0079 0 - 11470 H2O 3152 H2O O1 4 -0.847600 15.9994 0 - 11471 H2O 3152 H2O H1 3 0.423800 1.0079 0 - 11472 H2O 3152 H2O H2 3 0.423800 1.0079 0 - 11473 H2O 3153 H2O O1 4 -0.847600 15.9994 0 - 11474 H2O 3153 H2O H1 3 0.423800 1.0079 0 - 11475 H2O 3153 H2O H2 3 0.423800 1.0079 0 - 11476 H2O 3154 H2O O1 4 -0.847600 15.9994 0 - 11477 H2O 3154 H2O H1 3 0.423800 1.0079 0 - 11478 H2O 3154 H2O H2 3 0.423800 1.0079 0 - 11479 H2O 3155 H2O O1 4 -0.847600 15.9994 0 - 11480 H2O 3155 H2O H1 3 0.423800 1.0079 0 - 11481 H2O 3155 H2O H2 3 0.423800 1.0079 0 - 11482 H2O 3156 H2O O1 4 -0.847600 15.9994 0 - 11483 H2O 3156 H2O H1 3 0.423800 1.0079 0 - 11484 H2O 3156 H2O H2 3 0.423800 1.0079 0 - 11485 H2O 3157 H2O O1 4 -0.847600 15.9994 0 - 11486 H2O 3157 H2O H1 3 0.423800 1.0079 0 - 11487 H2O 3157 H2O H2 3 0.423800 1.0079 0 - 11488 H2O 3158 H2O O1 4 -0.847600 15.9994 0 - 11489 H2O 3158 H2O H1 3 0.423800 1.0079 0 - 11490 H2O 3158 H2O H2 3 0.423800 1.0079 0 - 11491 H2O 3159 H2O O1 4 -0.847600 15.9994 0 - 11492 H2O 3159 H2O H1 3 0.423800 1.0079 0 - 11493 H2O 3159 H2O H2 3 0.423800 1.0079 0 - 11494 H2O 3160 H2O O1 4 -0.847600 15.9994 0 - 11495 H2O 3160 H2O H1 3 0.423800 1.0079 0 - 11496 H2O 3160 H2O H2 3 0.423800 1.0079 0 - 11497 H2O 3161 H2O O1 4 -0.847600 15.9994 0 - 11498 H2O 3161 H2O H1 3 0.423800 1.0079 0 - 11499 H2O 3161 H2O H2 3 0.423800 1.0079 0 - 11500 H2O 3162 H2O O1 4 -0.847600 15.9994 0 - 11501 H2O 3162 H2O H1 3 0.423800 1.0079 0 - 11502 H2O 3162 H2O H2 3 0.423800 1.0079 0 - 11503 H2O 3163 H2O O1 4 -0.847600 15.9994 0 - 11504 H2O 3163 H2O H1 3 0.423800 1.0079 0 - 11505 H2O 3163 H2O H2 3 0.423800 1.0079 0 - 11506 H2O 3164 H2O O1 4 -0.847600 15.9994 0 - 11507 H2O 3164 H2O H1 3 0.423800 1.0079 0 - 11508 H2O 3164 H2O H2 3 0.423800 1.0079 0 - 11509 H2O 3165 H2O O1 4 -0.847600 15.9994 0 - 11510 H2O 3165 H2O H1 3 0.423800 1.0079 0 - 11511 H2O 3165 H2O H2 3 0.423800 1.0079 0 - 11512 H2O 3166 H2O O1 4 -0.847600 15.9994 0 - 11513 H2O 3166 H2O H1 3 0.423800 1.0079 0 - 11514 H2O 3166 H2O H2 3 0.423800 1.0079 0 - 11515 H2O 3167 H2O O1 4 -0.847600 15.9994 0 - 11516 H2O 3167 H2O H1 3 0.423800 1.0079 0 - 11517 H2O 3167 H2O H2 3 0.423800 1.0079 0 - 11518 H2O 3168 H2O O1 4 -0.847600 15.9994 0 - 11519 H2O 3168 H2O H1 3 0.423800 1.0079 0 - 11520 H2O 3168 H2O H2 3 0.423800 1.0079 0 - 11521 H2O 3169 H2O O1 4 -0.847600 15.9994 0 - 11522 H2O 3169 H2O H1 3 0.423800 1.0079 0 - 11523 H2O 3169 H2O H2 3 0.423800 1.0079 0 - 11524 H2O 3170 H2O O1 4 -0.847600 15.9994 0 - 11525 H2O 3170 H2O H1 3 0.423800 1.0079 0 - 11526 H2O 3170 H2O H2 3 0.423800 1.0079 0 - 11527 H2O 3171 H2O O1 4 -0.847600 15.9994 0 - 11528 H2O 3171 H2O H1 3 0.423800 1.0079 0 - 11529 H2O 3171 H2O H2 3 0.423800 1.0079 0 - 11530 H2O 3172 H2O O1 4 -0.847600 15.9994 0 - 11531 H2O 3172 H2O H1 3 0.423800 1.0079 0 - 11532 H2O 3172 H2O H2 3 0.423800 1.0079 0 - 11533 H2O 3173 H2O O1 4 -0.847600 15.9994 0 - 11534 H2O 3173 H2O H1 3 0.423800 1.0079 0 - 11535 H2O 3173 H2O H2 3 0.423800 1.0079 0 - 11536 H2O 3174 H2O O1 4 -0.847600 15.9994 0 - 11537 H2O 3174 H2O H1 3 0.423800 1.0079 0 - 11538 H2O 3174 H2O H2 3 0.423800 1.0079 0 - 11539 H2O 3175 H2O O1 4 -0.847600 15.9994 0 - 11540 H2O 3175 H2O H1 3 0.423800 1.0079 0 - 11541 H2O 3175 H2O H2 3 0.423800 1.0079 0 - 11542 H2O 3176 H2O O1 4 -0.847600 15.9994 0 - 11543 H2O 3176 H2O H1 3 0.423800 1.0079 0 - 11544 H2O 3176 H2O H2 3 0.423800 1.0079 0 - 11545 H2O 3177 H2O O1 4 -0.847600 15.9994 0 - 11546 H2O 3177 H2O H1 3 0.423800 1.0079 0 - 11547 H2O 3177 H2O H2 3 0.423800 1.0079 0 - 11548 H2O 3178 H2O O1 4 -0.847600 15.9994 0 - 11549 H2O 3178 H2O H1 3 0.423800 1.0079 0 - 11550 H2O 3178 H2O H2 3 0.423800 1.0079 0 - 11551 H2O 3179 H2O O1 4 -0.847600 15.9994 0 - 11552 H2O 3179 H2O H1 3 0.423800 1.0079 0 - 11553 H2O 3179 H2O H2 3 0.423800 1.0079 0 - 11554 H2O 3180 H2O O1 4 -0.847600 15.9994 0 - 11555 H2O 3180 H2O H1 3 0.423800 1.0079 0 - 11556 H2O 3180 H2O H2 3 0.423800 1.0079 0 - 11557 H2O 3181 H2O O1 4 -0.847600 15.9994 0 - 11558 H2O 3181 H2O H1 3 0.423800 1.0079 0 - 11559 H2O 3181 H2O H2 3 0.423800 1.0079 0 - 11560 H2O 3182 H2O O1 4 -0.847600 15.9994 0 - 11561 H2O 3182 H2O H1 3 0.423800 1.0079 0 - 11562 H2O 3182 H2O H2 3 0.423800 1.0079 0 - 11563 H2O 3183 H2O O1 4 -0.847600 15.9994 0 - 11564 H2O 3183 H2O H1 3 0.423800 1.0079 0 - 11565 H2O 3183 H2O H2 3 0.423800 1.0079 0 - 11566 H2O 3184 H2O O1 4 -0.847600 15.9994 0 - 11567 H2O 3184 H2O H1 3 0.423800 1.0079 0 - 11568 H2O 3184 H2O H2 3 0.423800 1.0079 0 - 11569 H2O 3185 H2O O1 4 -0.847600 15.9994 0 - 11570 H2O 3185 H2O H1 3 0.423800 1.0079 0 - 11571 H2O 3185 H2O H2 3 0.423800 1.0079 0 - 11572 H2O 3186 H2O O1 4 -0.847600 15.9994 0 - 11573 H2O 3186 H2O H1 3 0.423800 1.0079 0 - 11574 H2O 3186 H2O H2 3 0.423800 1.0079 0 - 11575 H2O 3187 H2O O1 4 -0.847600 15.9994 0 - 11576 H2O 3187 H2O H1 3 0.423800 1.0079 0 - 11577 H2O 3187 H2O H2 3 0.423800 1.0079 0 - 11578 H2O 3188 H2O O1 4 -0.847600 15.9994 0 - 11579 H2O 3188 H2O H1 3 0.423800 1.0079 0 - 11580 H2O 3188 H2O H2 3 0.423800 1.0079 0 - 11581 H2O 3189 H2O O1 4 -0.847600 15.9994 0 - 11582 H2O 3189 H2O H1 3 0.423800 1.0079 0 - 11583 H2O 3189 H2O H2 3 0.423800 1.0079 0 - 11584 H2O 3190 H2O O1 4 -0.847600 15.9994 0 - 11585 H2O 3190 H2O H1 3 0.423800 1.0079 0 - 11586 H2O 3190 H2O H2 3 0.423800 1.0079 0 - 11587 H2O 3191 H2O O1 4 -0.847600 15.9994 0 - 11588 H2O 3191 H2O H1 3 0.423800 1.0079 0 - 11589 H2O 3191 H2O H2 3 0.423800 1.0079 0 - 11590 H2O 3192 H2O O1 4 -0.847600 15.9994 0 - 11591 H2O 3192 H2O H1 3 0.423800 1.0079 0 - 11592 H2O 3192 H2O H2 3 0.423800 1.0079 0 - 11593 H2O 3193 H2O O1 4 -0.847600 15.9994 0 - 11594 H2O 3193 H2O H1 3 0.423800 1.0079 0 - 11595 H2O 3193 H2O H2 3 0.423800 1.0079 0 - 11596 H2O 3194 H2O O1 4 -0.847600 15.9994 0 - 11597 H2O 3194 H2O H1 3 0.423800 1.0079 0 - 11598 H2O 3194 H2O H2 3 0.423800 1.0079 0 - 11599 H2O 3195 H2O O1 4 -0.847600 15.9994 0 - 11600 H2O 3195 H2O H1 3 0.423800 1.0079 0 - 11601 H2O 3195 H2O H2 3 0.423800 1.0079 0 - 11602 H2O 3196 H2O O1 4 -0.847600 15.9994 0 - 11603 H2O 3196 H2O H1 3 0.423800 1.0079 0 - 11604 H2O 3196 H2O H2 3 0.423800 1.0079 0 - 11605 H2O 3197 H2O O1 4 -0.847600 15.9994 0 - 11606 H2O 3197 H2O H1 3 0.423800 1.0079 0 - 11607 H2O 3197 H2O H2 3 0.423800 1.0079 0 - 11608 H2O 3198 H2O O1 4 -0.847600 15.9994 0 - 11609 H2O 3198 H2O H1 3 0.423800 1.0079 0 - 11610 H2O 3198 H2O H2 3 0.423800 1.0079 0 - 11611 H2O 3199 H2O O1 4 -0.847600 15.9994 0 - 11612 H2O 3199 H2O H1 3 0.423800 1.0079 0 - 11613 H2O 3199 H2O H2 3 0.423800 1.0079 0 - 11614 H2O 3200 H2O O1 4 -0.847600 15.9994 0 - 11615 H2O 3200 H2O H1 3 0.423800 1.0079 0 - 11616 H2O 3200 H2O H2 3 0.423800 1.0079 0 - 11617 H2O 3201 H2O O1 4 -0.847600 15.9994 0 - 11618 H2O 3201 H2O H1 3 0.423800 1.0079 0 - 11619 H2O 3201 H2O H2 3 0.423800 1.0079 0 - 11620 H2O 3202 H2O O1 4 -0.847600 15.9994 0 - 11621 H2O 3202 H2O H1 3 0.423800 1.0079 0 - 11622 H2O 3202 H2O H2 3 0.423800 1.0079 0 - 11623 H2O 3203 H2O O1 4 -0.847600 15.9994 0 - 11624 H2O 3203 H2O H1 3 0.423800 1.0079 0 - 11625 H2O 3203 H2O H2 3 0.423800 1.0079 0 - 11626 H2O 3204 H2O O1 4 -0.847600 15.9994 0 - 11627 H2O 3204 H2O H1 3 0.423800 1.0079 0 - 11628 H2O 3204 H2O H2 3 0.423800 1.0079 0 - 11629 H2O 3205 H2O O1 4 -0.847600 15.9994 0 - 11630 H2O 3205 H2O H1 3 0.423800 1.0079 0 - 11631 H2O 3205 H2O H2 3 0.423800 1.0079 0 - 11632 H2O 3206 H2O O1 4 -0.847600 15.9994 0 - 11633 H2O 3206 H2O H1 3 0.423800 1.0079 0 - 11634 H2O 3206 H2O H2 3 0.423800 1.0079 0 - 11635 H2O 3207 H2O O1 4 -0.847600 15.9994 0 - 11636 H2O 3207 H2O H1 3 0.423800 1.0079 0 - 11637 H2O 3207 H2O H2 3 0.423800 1.0079 0 - 11638 H2O 3208 H2O O1 4 -0.847600 15.9994 0 - 11639 H2O 3208 H2O H1 3 0.423800 1.0079 0 - 11640 H2O 3208 H2O H2 3 0.423800 1.0079 0 - 11641 H2O 3209 H2O O1 4 -0.847600 15.9994 0 - 11642 H2O 3209 H2O H1 3 0.423800 1.0079 0 - 11643 H2O 3209 H2O H2 3 0.423800 1.0079 0 - 11644 H2O 3210 H2O O1 4 -0.847600 15.9994 0 - 11645 H2O 3210 H2O H1 3 0.423800 1.0079 0 - 11646 H2O 3210 H2O H2 3 0.423800 1.0079 0 - 11647 H2O 3211 H2O O1 4 -0.847600 15.9994 0 - 11648 H2O 3211 H2O H1 3 0.423800 1.0079 0 - 11649 H2O 3211 H2O H2 3 0.423800 1.0079 0 - 11650 H2O 3212 H2O O1 4 -0.847600 15.9994 0 - 11651 H2O 3212 H2O H1 3 0.423800 1.0079 0 - 11652 H2O 3212 H2O H2 3 0.423800 1.0079 0 - 11653 H2O 3213 H2O O1 4 -0.847600 15.9994 0 - 11654 H2O 3213 H2O H1 3 0.423800 1.0079 0 - 11655 H2O 3213 H2O H2 3 0.423800 1.0079 0 - 11656 H2O 3214 H2O O1 4 -0.847600 15.9994 0 - 11657 H2O 3214 H2O H1 3 0.423800 1.0079 0 - 11658 H2O 3214 H2O H2 3 0.423800 1.0079 0 - 11659 H2O 3215 H2O O1 4 -0.847600 15.9994 0 - 11660 H2O 3215 H2O H1 3 0.423800 1.0079 0 - 11661 H2O 3215 H2O H2 3 0.423800 1.0079 0 - 11662 H2O 3216 H2O O1 4 -0.847600 15.9994 0 - 11663 H2O 3216 H2O H1 3 0.423800 1.0079 0 - 11664 H2O 3216 H2O H2 3 0.423800 1.0079 0 - 11665 H2O 3217 H2O O1 4 -0.847600 15.9994 0 - 11666 H2O 3217 H2O H1 3 0.423800 1.0079 0 - 11667 H2O 3217 H2O H2 3 0.423800 1.0079 0 - 11668 H2O 3218 H2O O1 4 -0.847600 15.9994 0 - 11669 H2O 3218 H2O H1 3 0.423800 1.0079 0 - 11670 H2O 3218 H2O H2 3 0.423800 1.0079 0 - 11671 H2O 3219 H2O O1 4 -0.847600 15.9994 0 - 11672 H2O 3219 H2O H1 3 0.423800 1.0079 0 - 11673 H2O 3219 H2O H2 3 0.423800 1.0079 0 - 11674 H2O 3220 H2O O1 4 -0.847600 15.9994 0 - 11675 H2O 3220 H2O H1 3 0.423800 1.0079 0 - 11676 H2O 3220 H2O H2 3 0.423800 1.0079 0 - 11677 H2O 3221 H2O O1 4 -0.847600 15.9994 0 - 11678 H2O 3221 H2O H1 3 0.423800 1.0079 0 - 11679 H2O 3221 H2O H2 3 0.423800 1.0079 0 - 11680 H2O 3222 H2O O1 4 -0.847600 15.9994 0 - 11681 H2O 3222 H2O H1 3 0.423800 1.0079 0 - 11682 H2O 3222 H2O H2 3 0.423800 1.0079 0 - 11683 H2O 3223 H2O O1 4 -0.847600 15.9994 0 - 11684 H2O 3223 H2O H1 3 0.423800 1.0079 0 - 11685 H2O 3223 H2O H2 3 0.423800 1.0079 0 - 11686 H2O 3224 H2O O1 4 -0.847600 15.9994 0 - 11687 H2O 3224 H2O H1 3 0.423800 1.0079 0 - 11688 H2O 3224 H2O H2 3 0.423800 1.0079 0 - 11689 H2O 3225 H2O O1 4 -0.847600 15.9994 0 - 11690 H2O 3225 H2O H1 3 0.423800 1.0079 0 - 11691 H2O 3225 H2O H2 3 0.423800 1.0079 0 - 11692 H2O 3226 H2O O1 4 -0.847600 15.9994 0 - 11693 H2O 3226 H2O H1 3 0.423800 1.0079 0 - 11694 H2O 3226 H2O H2 3 0.423800 1.0079 0 - 11695 H2O 3227 H2O O1 4 -0.847600 15.9994 0 - 11696 H2O 3227 H2O H1 3 0.423800 1.0079 0 - 11697 H2O 3227 H2O H2 3 0.423800 1.0079 0 - 11698 H2O 3228 H2O O1 4 -0.847600 15.9994 0 - 11699 H2O 3228 H2O H1 3 0.423800 1.0079 0 - 11700 H2O 3228 H2O H2 3 0.423800 1.0079 0 - 11701 H2O 3229 H2O O1 4 -0.847600 15.9994 0 - 11702 H2O 3229 H2O H1 3 0.423800 1.0079 0 - 11703 H2O 3229 H2O H2 3 0.423800 1.0079 0 - 11704 H2O 3230 H2O O1 4 -0.847600 15.9994 0 - 11705 H2O 3230 H2O H1 3 0.423800 1.0079 0 - 11706 H2O 3230 H2O H2 3 0.423800 1.0079 0 - 11707 H2O 3231 H2O O1 4 -0.847600 15.9994 0 - 11708 H2O 3231 H2O H1 3 0.423800 1.0079 0 - 11709 H2O 3231 H2O H2 3 0.423800 1.0079 0 - 11710 H2O 3232 H2O O1 4 -0.847600 15.9994 0 - 11711 H2O 3232 H2O H1 3 0.423800 1.0079 0 - 11712 H2O 3232 H2O H2 3 0.423800 1.0079 0 - 11713 H2O 3233 H2O O1 4 -0.847600 15.9994 0 - 11714 H2O 3233 H2O H1 3 0.423800 1.0079 0 - 11715 H2O 3233 H2O H2 3 0.423800 1.0079 0 - 11716 H2O 3234 H2O O1 4 -0.847600 15.9994 0 - 11717 H2O 3234 H2O H1 3 0.423800 1.0079 0 - 11718 H2O 3234 H2O H2 3 0.423800 1.0079 0 - 11719 H2O 3235 H2O O1 4 -0.847600 15.9994 0 - 11720 H2O 3235 H2O H1 3 0.423800 1.0079 0 - 11721 H2O 3235 H2O H2 3 0.423800 1.0079 0 - 11722 H2O 3236 H2O O1 4 -0.847600 15.9994 0 - 11723 H2O 3236 H2O H1 3 0.423800 1.0079 0 - 11724 H2O 3236 H2O H2 3 0.423800 1.0079 0 - 11725 H2O 3237 H2O O1 4 -0.847600 15.9994 0 - 11726 H2O 3237 H2O H1 3 0.423800 1.0079 0 - 11727 H2O 3237 H2O H2 3 0.423800 1.0079 0 - 11728 H2O 3238 H2O O1 4 -0.847600 15.9994 0 - 11729 H2O 3238 H2O H1 3 0.423800 1.0079 0 - 11730 H2O 3238 H2O H2 3 0.423800 1.0079 0 - 11731 H2O 3239 H2O O1 4 -0.847600 15.9994 0 - 11732 H2O 3239 H2O H1 3 0.423800 1.0079 0 - 11733 H2O 3239 H2O H2 3 0.423800 1.0079 0 - 11734 H2O 3240 H2O O1 4 -0.847600 15.9994 0 - 11735 H2O 3240 H2O H1 3 0.423800 1.0079 0 - 11736 H2O 3240 H2O H2 3 0.423800 1.0079 0 - 11737 H2O 3241 H2O O1 4 -0.847600 15.9994 0 - 11738 H2O 3241 H2O H1 3 0.423800 1.0079 0 - 11739 H2O 3241 H2O H2 3 0.423800 1.0079 0 - 11740 H2O 3242 H2O O1 4 -0.847600 15.9994 0 - 11741 H2O 3242 H2O H1 3 0.423800 1.0079 0 - 11742 H2O 3242 H2O H2 3 0.423800 1.0079 0 - 11743 H2O 3243 H2O O1 4 -0.847600 15.9994 0 - 11744 H2O 3243 H2O H1 3 0.423800 1.0079 0 - 11745 H2O 3243 H2O H2 3 0.423800 1.0079 0 - 11746 H2O 3244 H2O O1 4 -0.847600 15.9994 0 - 11747 H2O 3244 H2O H1 3 0.423800 1.0079 0 - 11748 H2O 3244 H2O H2 3 0.423800 1.0079 0 - 11749 H2O 3245 H2O O1 4 -0.847600 15.9994 0 - 11750 H2O 3245 H2O H1 3 0.423800 1.0079 0 - 11751 H2O 3245 H2O H2 3 0.423800 1.0079 0 - 11752 H2O 3246 H2O O1 4 -0.847600 15.9994 0 - 11753 H2O 3246 H2O H1 3 0.423800 1.0079 0 - 11754 H2O 3246 H2O H2 3 0.423800 1.0079 0 - 11755 H2O 3247 H2O O1 4 -0.847600 15.9994 0 - 11756 H2O 3247 H2O H1 3 0.423800 1.0079 0 - 11757 H2O 3247 H2O H2 3 0.423800 1.0079 0 - 11758 H2O 3248 H2O O1 4 -0.847600 15.9994 0 - 11759 H2O 3248 H2O H1 3 0.423800 1.0079 0 - 11760 H2O 3248 H2O H2 3 0.423800 1.0079 0 - 11761 H2O 3249 H2O O1 4 -0.847600 15.9994 0 - 11762 H2O 3249 H2O H1 3 0.423800 1.0079 0 - 11763 H2O 3249 H2O H2 3 0.423800 1.0079 0 - 11764 H2O 3250 H2O O1 4 -0.847600 15.9994 0 - 11765 H2O 3250 H2O H1 3 0.423800 1.0079 0 - 11766 H2O 3250 H2O H2 3 0.423800 1.0079 0 - 11767 H2O 3251 H2O O1 4 -0.847600 15.9994 0 - 11768 H2O 3251 H2O H1 3 0.423800 1.0079 0 - 11769 H2O 3251 H2O H2 3 0.423800 1.0079 0 - 11770 H2O 3252 H2O O1 4 -0.847600 15.9994 0 - 11771 H2O 3252 H2O H1 3 0.423800 1.0079 0 - 11772 H2O 3252 H2O H2 3 0.423800 1.0079 0 - 11773 H2O 3253 H2O O1 4 -0.847600 15.9994 0 - 11774 H2O 3253 H2O H1 3 0.423800 1.0079 0 - 11775 H2O 3253 H2O H2 3 0.423800 1.0079 0 - 11776 H2O 3254 H2O O1 4 -0.847600 15.9994 0 - 11777 H2O 3254 H2O H1 3 0.423800 1.0079 0 - 11778 H2O 3254 H2O H2 3 0.423800 1.0079 0 - 11779 H2O 3255 H2O O1 4 -0.847600 15.9994 0 - 11780 H2O 3255 H2O H1 3 0.423800 1.0079 0 - 11781 H2O 3255 H2O H2 3 0.423800 1.0079 0 - 11782 H2O 3256 H2O O1 4 -0.847600 15.9994 0 - 11783 H2O 3256 H2O H1 3 0.423800 1.0079 0 - 11784 H2O 3256 H2O H2 3 0.423800 1.0079 0 - 11785 H2O 3257 H2O O1 4 -0.847600 15.9994 0 - 11786 H2O 3257 H2O H1 3 0.423800 1.0079 0 - 11787 H2O 3257 H2O H2 3 0.423800 1.0079 0 - 11788 H2O 3258 H2O O1 4 -0.847600 15.9994 0 - 11789 H2O 3258 H2O H1 3 0.423800 1.0079 0 - 11790 H2O 3258 H2O H2 3 0.423800 1.0079 0 - 11791 H2O 3259 H2O O1 4 -0.847600 15.9994 0 - 11792 H2O 3259 H2O H1 3 0.423800 1.0079 0 - 11793 H2O 3259 H2O H2 3 0.423800 1.0079 0 - 11794 H2O 3260 H2O O1 4 -0.847600 15.9994 0 - 11795 H2O 3260 H2O H1 3 0.423800 1.0079 0 - 11796 H2O 3260 H2O H2 3 0.423800 1.0079 0 - 11797 H2O 3261 H2O O1 4 -0.847600 15.9994 0 - 11798 H2O 3261 H2O H1 3 0.423800 1.0079 0 - 11799 H2O 3261 H2O H2 3 0.423800 1.0079 0 - 11800 H2O 3262 H2O O1 4 -0.847600 15.9994 0 - 11801 H2O 3262 H2O H1 3 0.423800 1.0079 0 - 11802 H2O 3262 H2O H2 3 0.423800 1.0079 0 - 11803 H2O 3263 H2O O1 4 -0.847600 15.9994 0 - 11804 H2O 3263 H2O H1 3 0.423800 1.0079 0 - 11805 H2O 3263 H2O H2 3 0.423800 1.0079 0 - 11806 H2O 3264 H2O O1 4 -0.847600 15.9994 0 - 11807 H2O 3264 H2O H1 3 0.423800 1.0079 0 - 11808 H2O 3264 H2O H2 3 0.423800 1.0079 0 - 11809 H2O 3265 H2O O1 4 -0.847600 15.9994 0 - 11810 H2O 3265 H2O H1 3 0.423800 1.0079 0 - 11811 H2O 3265 H2O H2 3 0.423800 1.0079 0 - 11812 H2O 3266 H2O O1 4 -0.847600 15.9994 0 - 11813 H2O 3266 H2O H1 3 0.423800 1.0079 0 - 11814 H2O 3266 H2O H2 3 0.423800 1.0079 0 - 11815 H2O 3267 H2O O1 4 -0.847600 15.9994 0 - 11816 H2O 3267 H2O H1 3 0.423800 1.0079 0 - 11817 H2O 3267 H2O H2 3 0.423800 1.0079 0 - 11818 H2O 3268 H2O O1 4 -0.847600 15.9994 0 - 11819 H2O 3268 H2O H1 3 0.423800 1.0079 0 - 11820 H2O 3268 H2O H2 3 0.423800 1.0079 0 - 11821 H2O 3269 H2O O1 4 -0.847600 15.9994 0 - 11822 H2O 3269 H2O H1 3 0.423800 1.0079 0 - 11823 H2O 3269 H2O H2 3 0.423800 1.0079 0 - 11824 H2O 3270 H2O O1 4 -0.847600 15.9994 0 - 11825 H2O 3270 H2O H1 3 0.423800 1.0079 0 - 11826 H2O 3270 H2O H2 3 0.423800 1.0079 0 - 11827 H2O 3271 H2O O1 4 -0.847600 15.9994 0 - 11828 H2O 3271 H2O H1 3 0.423800 1.0079 0 - 11829 H2O 3271 H2O H2 3 0.423800 1.0079 0 - 11830 H2O 3272 H2O O1 4 -0.847600 15.9994 0 - 11831 H2O 3272 H2O H1 3 0.423800 1.0079 0 - 11832 H2O 3272 H2O H2 3 0.423800 1.0079 0 - 11833 H2O 3273 H2O O1 4 -0.847600 15.9994 0 - 11834 H2O 3273 H2O H1 3 0.423800 1.0079 0 - 11835 H2O 3273 H2O H2 3 0.423800 1.0079 0 - 11836 H2O 3274 H2O O1 4 -0.847600 15.9994 0 - 11837 H2O 3274 H2O H1 3 0.423800 1.0079 0 - 11838 H2O 3274 H2O H2 3 0.423800 1.0079 0 - 11839 H2O 3275 H2O O1 4 -0.847600 15.9994 0 - 11840 H2O 3275 H2O H1 3 0.423800 1.0079 0 - 11841 H2O 3275 H2O H2 3 0.423800 1.0079 0 - 11842 H2O 3276 H2O O1 4 -0.847600 15.9994 0 - 11843 H2O 3276 H2O H1 3 0.423800 1.0079 0 - 11844 H2O 3276 H2O H2 3 0.423800 1.0079 0 - 11845 H2O 3277 H2O O1 4 -0.847600 15.9994 0 - 11846 H2O 3277 H2O H1 3 0.423800 1.0079 0 - 11847 H2O 3277 H2O H2 3 0.423800 1.0079 0 - 11848 H2O 3278 H2O O1 4 -0.847600 15.9994 0 - 11849 H2O 3278 H2O H1 3 0.423800 1.0079 0 - 11850 H2O 3278 H2O H2 3 0.423800 1.0079 0 - 11851 H2O 3279 H2O O1 4 -0.847600 15.9994 0 - 11852 H2O 3279 H2O H1 3 0.423800 1.0079 0 - 11853 H2O 3279 H2O H2 3 0.423800 1.0079 0 - 11854 H2O 3280 H2O O1 4 -0.847600 15.9994 0 - 11855 H2O 3280 H2O H1 3 0.423800 1.0079 0 - 11856 H2O 3280 H2O H2 3 0.423800 1.0079 0 - 11857 H2O 3281 H2O O1 4 -0.847600 15.9994 0 - 11858 H2O 3281 H2O H1 3 0.423800 1.0079 0 - 11859 H2O 3281 H2O H2 3 0.423800 1.0079 0 - 11860 H2O 3282 H2O O1 4 -0.847600 15.9994 0 - 11861 H2O 3282 H2O H1 3 0.423800 1.0079 0 - 11862 H2O 3282 H2O H2 3 0.423800 1.0079 0 - 11863 H2O 3283 H2O O1 4 -0.847600 15.9994 0 - 11864 H2O 3283 H2O H1 3 0.423800 1.0079 0 - 11865 H2O 3283 H2O H2 3 0.423800 1.0079 0 - 11866 H2O 3284 H2O O1 4 -0.847600 15.9994 0 - 11867 H2O 3284 H2O H1 3 0.423800 1.0079 0 - 11868 H2O 3284 H2O H2 3 0.423800 1.0079 0 - 11869 H2O 3285 H2O O1 4 -0.847600 15.9994 0 - 11870 H2O 3285 H2O H1 3 0.423800 1.0079 0 - 11871 H2O 3285 H2O H2 3 0.423800 1.0079 0 - 11872 H2O 3286 H2O O1 4 -0.847600 15.9994 0 - 11873 H2O 3286 H2O H1 3 0.423800 1.0079 0 - 11874 H2O 3286 H2O H2 3 0.423800 1.0079 0 - 11875 H2O 3287 H2O O1 4 -0.847600 15.9994 0 - 11876 H2O 3287 H2O H1 3 0.423800 1.0079 0 - 11877 H2O 3287 H2O H2 3 0.423800 1.0079 0 - 11878 H2O 3288 H2O O1 4 -0.847600 15.9994 0 - 11879 H2O 3288 H2O H1 3 0.423800 1.0079 0 - 11880 H2O 3288 H2O H2 3 0.423800 1.0079 0 - 11881 H2O 3289 H2O O1 4 -0.847600 15.9994 0 - 11882 H2O 3289 H2O H1 3 0.423800 1.0079 0 - 11883 H2O 3289 H2O H2 3 0.423800 1.0079 0 - 11884 H2O 3290 H2O O1 4 -0.847600 15.9994 0 - 11885 H2O 3290 H2O H1 3 0.423800 1.0079 0 - 11886 H2O 3290 H2O H2 3 0.423800 1.0079 0 - 11887 H2O 3291 H2O O1 4 -0.847600 15.9994 0 - 11888 H2O 3291 H2O H1 3 0.423800 1.0079 0 - 11889 H2O 3291 H2O H2 3 0.423800 1.0079 0 - 11890 H2O 3292 H2O O1 4 -0.847600 15.9994 0 - 11891 H2O 3292 H2O H1 3 0.423800 1.0079 0 - 11892 H2O 3292 H2O H2 3 0.423800 1.0079 0 - 11893 H2O 3293 H2O O1 4 -0.847600 15.9994 0 - 11894 H2O 3293 H2O H1 3 0.423800 1.0079 0 - 11895 H2O 3293 H2O H2 3 0.423800 1.0079 0 - 11896 H2O 3294 H2O O1 4 -0.847600 15.9994 0 - 11897 H2O 3294 H2O H1 3 0.423800 1.0079 0 - 11898 H2O 3294 H2O H2 3 0.423800 1.0079 0 - 11899 H2O 3295 H2O O1 4 -0.847600 15.9994 0 - 11900 H2O 3295 H2O H1 3 0.423800 1.0079 0 - 11901 H2O 3295 H2O H2 3 0.423800 1.0079 0 - 11902 H2O 3296 H2O O1 4 -0.847600 15.9994 0 - 11903 H2O 3296 H2O H1 3 0.423800 1.0079 0 - 11904 H2O 3296 H2O H2 3 0.423800 1.0079 0 - 11905 H2O 3297 H2O O1 4 -0.847600 15.9994 0 - 11906 H2O 3297 H2O H1 3 0.423800 1.0079 0 - 11907 H2O 3297 H2O H2 3 0.423800 1.0079 0 - 11908 H2O 3298 H2O O1 4 -0.847600 15.9994 0 - 11909 H2O 3298 H2O H1 3 0.423800 1.0079 0 - 11910 H2O 3298 H2O H2 3 0.423800 1.0079 0 - 11911 H2O 3299 H2O O1 4 -0.847600 15.9994 0 - 11912 H2O 3299 H2O H1 3 0.423800 1.0079 0 - 11913 H2O 3299 H2O H2 3 0.423800 1.0079 0 - 11914 H2O 3300 H2O O1 4 -0.847600 15.9994 0 - 11915 H2O 3300 H2O H1 3 0.423800 1.0079 0 - 11916 H2O 3300 H2O H2 3 0.423800 1.0079 0 - 11917 H2O 3301 H2O O1 4 -0.847600 15.9994 0 - 11918 H2O 3301 H2O H1 3 0.423800 1.0079 0 - 11919 H2O 3301 H2O H2 3 0.423800 1.0079 0 - 11920 H2O 3302 H2O O1 4 -0.847600 15.9994 0 - 11921 H2O 3302 H2O H1 3 0.423800 1.0079 0 - 11922 H2O 3302 H2O H2 3 0.423800 1.0079 0 - 11923 H2O 3303 H2O O1 4 -0.847600 15.9994 0 - 11924 H2O 3303 H2O H1 3 0.423800 1.0079 0 - 11925 H2O 3303 H2O H2 3 0.423800 1.0079 0 - 11926 H2O 3304 H2O O1 4 -0.847600 15.9994 0 - 11927 H2O 3304 H2O H1 3 0.423800 1.0079 0 - 11928 H2O 3304 H2O H2 3 0.423800 1.0079 0 - 11929 H2O 3305 H2O O1 4 -0.847600 15.9994 0 - 11930 H2O 3305 H2O H1 3 0.423800 1.0079 0 - 11931 H2O 3305 H2O H2 3 0.423800 1.0079 0 - 11932 H2O 3306 H2O O1 4 -0.847600 15.9994 0 - 11933 H2O 3306 H2O H1 3 0.423800 1.0079 0 - 11934 H2O 3306 H2O H2 3 0.423800 1.0079 0 - 11935 H2O 3307 H2O O1 4 -0.847600 15.9994 0 - 11936 H2O 3307 H2O H1 3 0.423800 1.0079 0 - 11937 H2O 3307 H2O H2 3 0.423800 1.0079 0 - 11938 H2O 3308 H2O O1 4 -0.847600 15.9994 0 - 11939 H2O 3308 H2O H1 3 0.423800 1.0079 0 - 11940 H2O 3308 H2O H2 3 0.423800 1.0079 0 - 11941 H2O 3309 H2O O1 4 -0.847600 15.9994 0 - 11942 H2O 3309 H2O H1 3 0.423800 1.0079 0 - 11943 H2O 3309 H2O H2 3 0.423800 1.0079 0 - 11944 H2O 3310 H2O O1 4 -0.847600 15.9994 0 - 11945 H2O 3310 H2O H1 3 0.423800 1.0079 0 - 11946 H2O 3310 H2O H2 3 0.423800 1.0079 0 - 11947 H2O 3311 H2O O1 4 -0.847600 15.9994 0 - 11948 H2O 3311 H2O H1 3 0.423800 1.0079 0 - 11949 H2O 3311 H2O H2 3 0.423800 1.0079 0 - 11950 H2O 3312 H2O O1 4 -0.847600 15.9994 0 - 11951 H2O 3312 H2O H1 3 0.423800 1.0079 0 - 11952 H2O 3312 H2O H2 3 0.423800 1.0079 0 - 11953 H2O 3313 H2O O1 4 -0.847600 15.9994 0 - 11954 H2O 3313 H2O H1 3 0.423800 1.0079 0 - 11955 H2O 3313 H2O H2 3 0.423800 1.0079 0 - 11956 H2O 3314 H2O O1 4 -0.847600 15.9994 0 - 11957 H2O 3314 H2O H1 3 0.423800 1.0079 0 - 11958 H2O 3314 H2O H2 3 0.423800 1.0079 0 - 11959 H2O 3315 H2O O1 4 -0.847600 15.9994 0 - 11960 H2O 3315 H2O H1 3 0.423800 1.0079 0 - 11961 H2O 3315 H2O H2 3 0.423800 1.0079 0 - 11962 H2O 3316 H2O O1 4 -0.847600 15.9994 0 - 11963 H2O 3316 H2O H1 3 0.423800 1.0079 0 - 11964 H2O 3316 H2O H2 3 0.423800 1.0079 0 - 11965 H2O 3317 H2O O1 4 -0.847600 15.9994 0 - 11966 H2O 3317 H2O H1 3 0.423800 1.0079 0 - 11967 H2O 3317 H2O H2 3 0.423800 1.0079 0 - 11968 H2O 3318 H2O O1 4 -0.847600 15.9994 0 - 11969 H2O 3318 H2O H1 3 0.423800 1.0079 0 - 11970 H2O 3318 H2O H2 3 0.423800 1.0079 0 - 11971 H2O 3319 H2O O1 4 -0.847600 15.9994 0 - 11972 H2O 3319 H2O H1 3 0.423800 1.0079 0 - 11973 H2O 3319 H2O H2 3 0.423800 1.0079 0 - 11974 H2O 3320 H2O O1 4 -0.847600 15.9994 0 - 11975 H2O 3320 H2O H1 3 0.423800 1.0079 0 - 11976 H2O 3320 H2O H2 3 0.423800 1.0079 0 - 11977 H2O 3321 H2O O1 4 -0.847600 15.9994 0 - 11978 H2O 3321 H2O H1 3 0.423800 1.0079 0 - 11979 H2O 3321 H2O H2 3 0.423800 1.0079 0 - 11980 H2O 3322 H2O O1 4 -0.847600 15.9994 0 - 11981 H2O 3322 H2O H1 3 0.423800 1.0079 0 - 11982 H2O 3322 H2O H2 3 0.423800 1.0079 0 - 11983 H2O 3323 H2O O1 4 -0.847600 15.9994 0 - 11984 H2O 3323 H2O H1 3 0.423800 1.0079 0 - 11985 H2O 3323 H2O H2 3 0.423800 1.0079 0 - 11986 H2O 3324 H2O O1 4 -0.847600 15.9994 0 - 11987 H2O 3324 H2O H1 3 0.423800 1.0079 0 - 11988 H2O 3324 H2O H2 3 0.423800 1.0079 0 - 11989 H2O 3325 H2O O1 4 -0.847600 15.9994 0 - 11990 H2O 3325 H2O H1 3 0.423800 1.0079 0 - 11991 H2O 3325 H2O H2 3 0.423800 1.0079 0 - 11992 H2O 3326 H2O O1 4 -0.847600 15.9994 0 - 11993 H2O 3326 H2O H1 3 0.423800 1.0079 0 - 11994 H2O 3326 H2O H2 3 0.423800 1.0079 0 - 11995 H2O 3327 H2O O1 4 -0.847600 15.9994 0 - 11996 H2O 3327 H2O H1 3 0.423800 1.0079 0 - 11997 H2O 3327 H2O H2 3 0.423800 1.0079 0 - 11998 H2O 3328 H2O O1 4 -0.847600 15.9994 0 - 11999 H2O 3328 H2O H1 3 0.423800 1.0079 0 - 12000 H2O 3328 H2O H2 3 0.423800 1.0079 0 - 12001 H2O 3329 H2O O1 4 -0.847600 15.9994 0 - 12002 H2O 3329 H2O H1 3 0.423800 1.0079 0 - 12003 H2O 3329 H2O H2 3 0.423800 1.0079 0 - 12004 H2O 3330 H2O O1 4 -0.847600 15.9994 0 - 12005 H2O 3330 H2O H1 3 0.423800 1.0079 0 - 12006 H2O 3330 H2O H2 3 0.423800 1.0079 0 - 12007 H2O 3331 H2O O1 4 -0.847600 15.9994 0 - 12008 H2O 3331 H2O H1 3 0.423800 1.0079 0 - 12009 H2O 3331 H2O H2 3 0.423800 1.0079 0 - 12010 H2O 3332 H2O O1 4 -0.847600 15.9994 0 - 12011 H2O 3332 H2O H1 3 0.423800 1.0079 0 - 12012 H2O 3332 H2O H2 3 0.423800 1.0079 0 - 12013 H2O 3333 H2O O1 4 -0.847600 15.9994 0 - 12014 H2O 3333 H2O H1 3 0.423800 1.0079 0 - 12015 H2O 3333 H2O H2 3 0.423800 1.0079 0 - 12016 H2O 3334 H2O O1 4 -0.847600 15.9994 0 - 12017 H2O 3334 H2O H1 3 0.423800 1.0079 0 - 12018 H2O 3334 H2O H2 3 0.423800 1.0079 0 - 12019 H2O 3335 H2O O1 4 -0.847600 15.9994 0 - 12020 H2O 3335 H2O H1 3 0.423800 1.0079 0 - 12021 H2O 3335 H2O H2 3 0.423800 1.0079 0 - 12022 H2O 3336 H2O O1 4 -0.847600 15.9994 0 - 12023 H2O 3336 H2O H1 3 0.423800 1.0079 0 - 12024 H2O 3336 H2O H2 3 0.423800 1.0079 0 - 12025 H2O 3337 H2O O1 4 -0.847600 15.9994 0 - 12026 H2O 3337 H2O H1 3 0.423800 1.0079 0 - 12027 H2O 3337 H2O H2 3 0.423800 1.0079 0 - 12028 H2O 3338 H2O O1 4 -0.847600 15.9994 0 - 12029 H2O 3338 H2O H1 3 0.423800 1.0079 0 - 12030 H2O 3338 H2O H2 3 0.423800 1.0079 0 - 12031 H2O 3339 H2O O1 4 -0.847600 15.9994 0 - 12032 H2O 3339 H2O H1 3 0.423800 1.0079 0 - 12033 H2O 3339 H2O H2 3 0.423800 1.0079 0 - 12034 H2O 3340 H2O O1 4 -0.847600 15.9994 0 - 12035 H2O 3340 H2O H1 3 0.423800 1.0079 0 - 12036 H2O 3340 H2O H2 3 0.423800 1.0079 0 - 12037 H2O 3341 H2O O1 4 -0.847600 15.9994 0 - 12038 H2O 3341 H2O H1 3 0.423800 1.0079 0 - 12039 H2O 3341 H2O H2 3 0.423800 1.0079 0 - 12040 H2O 3342 H2O O1 4 -0.847600 15.9994 0 - 12041 H2O 3342 H2O H1 3 0.423800 1.0079 0 - 12042 H2O 3342 H2O H2 3 0.423800 1.0079 0 - 12043 H2O 3343 H2O O1 4 -0.847600 15.9994 0 - 12044 H2O 3343 H2O H1 3 0.423800 1.0079 0 - 12045 H2O 3343 H2O H2 3 0.423800 1.0079 0 - 12046 H2O 3344 H2O O1 4 -0.847600 15.9994 0 - 12047 H2O 3344 H2O H1 3 0.423800 1.0079 0 - 12048 H2O 3344 H2O H2 3 0.423800 1.0079 0 - 12049 H2O 3345 H2O O1 4 -0.847600 15.9994 0 - 12050 H2O 3345 H2O H1 3 0.423800 1.0079 0 - 12051 H2O 3345 H2O H2 3 0.423800 1.0079 0 - 12052 H2O 3346 H2O O1 4 -0.847600 15.9994 0 - 12053 H2O 3346 H2O H1 3 0.423800 1.0079 0 - 12054 H2O 3346 H2O H2 3 0.423800 1.0079 0 - 12055 H2O 3347 H2O O1 4 -0.847600 15.9994 0 - 12056 H2O 3347 H2O H1 3 0.423800 1.0079 0 - 12057 H2O 3347 H2O H2 3 0.423800 1.0079 0 - 12058 H2O 3348 H2O O1 4 -0.847600 15.9994 0 - 12059 H2O 3348 H2O H1 3 0.423800 1.0079 0 - 12060 H2O 3348 H2O H2 3 0.423800 1.0079 0 - 12061 H2O 3349 H2O O1 4 -0.847600 15.9994 0 - 12062 H2O 3349 H2O H1 3 0.423800 1.0079 0 - 12063 H2O 3349 H2O H2 3 0.423800 1.0079 0 - 12064 H2O 3350 H2O O1 4 -0.847600 15.9994 0 - 12065 H2O 3350 H2O H1 3 0.423800 1.0079 0 - 12066 H2O 3350 H2O H2 3 0.423800 1.0079 0 - 12067 H2O 3351 H2O O1 4 -0.847600 15.9994 0 - 12068 H2O 3351 H2O H1 3 0.423800 1.0079 0 - 12069 H2O 3351 H2O H2 3 0.423800 1.0079 0 - 12070 H2O 3352 H2O O1 4 -0.847600 15.9994 0 - 12071 H2O 3352 H2O H1 3 0.423800 1.0079 0 - 12072 H2O 3352 H2O H2 3 0.423800 1.0079 0 - 12073 H2O 3353 H2O O1 4 -0.847600 15.9994 0 - 12074 H2O 3353 H2O H1 3 0.423800 1.0079 0 - 12075 H2O 3353 H2O H2 3 0.423800 1.0079 0 - 12076 H2O 3354 H2O O1 4 -0.847600 15.9994 0 - 12077 H2O 3354 H2O H1 3 0.423800 1.0079 0 - 12078 H2O 3354 H2O H2 3 0.423800 1.0079 0 - 12079 H2O 3355 H2O O1 4 -0.847600 15.9994 0 - 12080 H2O 3355 H2O H1 3 0.423800 1.0079 0 - 12081 H2O 3355 H2O H2 3 0.423800 1.0079 0 - 12082 H2O 3356 H2O O1 4 -0.847600 15.9994 0 - 12083 H2O 3356 H2O H1 3 0.423800 1.0079 0 - 12084 H2O 3356 H2O H2 3 0.423800 1.0079 0 - 12085 H2O 3357 H2O O1 4 -0.847600 15.9994 0 - 12086 H2O 3357 H2O H1 3 0.423800 1.0079 0 - 12087 H2O 3357 H2O H2 3 0.423800 1.0079 0 - 12088 H2O 3358 H2O O1 4 -0.847600 15.9994 0 - 12089 H2O 3358 H2O H1 3 0.423800 1.0079 0 - 12090 H2O 3358 H2O H2 3 0.423800 1.0079 0 - 12091 H2O 3359 H2O O1 4 -0.847600 15.9994 0 - 12092 H2O 3359 H2O H1 3 0.423800 1.0079 0 - 12093 H2O 3359 H2O H2 3 0.423800 1.0079 0 - 12094 H2O 3360 H2O O1 4 -0.847600 15.9994 0 - 12095 H2O 3360 H2O H1 3 0.423800 1.0079 0 - 12096 H2O 3360 H2O H2 3 0.423800 1.0079 0 - 12097 H2O 3361 H2O O1 4 -0.847600 15.9994 0 - 12098 H2O 3361 H2O H1 3 0.423800 1.0079 0 - 12099 H2O 3361 H2O H2 3 0.423800 1.0079 0 - 12100 H2O 3362 H2O O1 4 -0.847600 15.9994 0 - 12101 H2O 3362 H2O H1 3 0.423800 1.0079 0 - 12102 H2O 3362 H2O H2 3 0.423800 1.0079 0 - 12103 H2O 3363 H2O O1 4 -0.847600 15.9994 0 - 12104 H2O 3363 H2O H1 3 0.423800 1.0079 0 - 12105 H2O 3363 H2O H2 3 0.423800 1.0079 0 - 12106 H2O 3364 H2O O1 4 -0.847600 15.9994 0 - 12107 H2O 3364 H2O H1 3 0.423800 1.0079 0 - 12108 H2O 3364 H2O H2 3 0.423800 1.0079 0 - 12109 H2O 3365 H2O O1 4 -0.847600 15.9994 0 - 12110 H2O 3365 H2O H1 3 0.423800 1.0079 0 - 12111 H2O 3365 H2O H2 3 0.423800 1.0079 0 - 12112 H2O 3366 H2O O1 4 -0.847600 15.9994 0 - 12113 H2O 3366 H2O H1 3 0.423800 1.0079 0 - 12114 H2O 3366 H2O H2 3 0.423800 1.0079 0 - 12115 H2O 3367 H2O O1 4 -0.847600 15.9994 0 - 12116 H2O 3367 H2O H1 3 0.423800 1.0079 0 - 12117 H2O 3367 H2O H2 3 0.423800 1.0079 0 - 12118 H2O 3368 H2O O1 4 -0.847600 15.9994 0 - 12119 H2O 3368 H2O H1 3 0.423800 1.0079 0 - 12120 H2O 3368 H2O H2 3 0.423800 1.0079 0 - 12121 H2O 3369 H2O O1 4 -0.847600 15.9994 0 - 12122 H2O 3369 H2O H1 3 0.423800 1.0079 0 - 12123 H2O 3369 H2O H2 3 0.423800 1.0079 0 - 12124 H2O 3370 H2O O1 4 -0.847600 15.9994 0 - 12125 H2O 3370 H2O H1 3 0.423800 1.0079 0 - 12126 H2O 3370 H2O H2 3 0.423800 1.0079 0 - 12127 H2O 3371 H2O O1 4 -0.847600 15.9994 0 - 12128 H2O 3371 H2O H1 3 0.423800 1.0079 0 - 12129 H2O 3371 H2O H2 3 0.423800 1.0079 0 - 12130 H2O 3372 H2O O1 4 -0.847600 15.9994 0 - 12131 H2O 3372 H2O H1 3 0.423800 1.0079 0 - 12132 H2O 3372 H2O H2 3 0.423800 1.0079 0 - 12133 H2O 3373 H2O O1 4 -0.847600 15.9994 0 - 12134 H2O 3373 H2O H1 3 0.423800 1.0079 0 - 12135 H2O 3373 H2O H2 3 0.423800 1.0079 0 - 12136 H2O 3374 H2O O1 4 -0.847600 15.9994 0 - 12137 H2O 3374 H2O H1 3 0.423800 1.0079 0 - 12138 H2O 3374 H2O H2 3 0.423800 1.0079 0 - 12139 H2O 3375 H2O O1 4 -0.847600 15.9994 0 - 12140 H2O 3375 H2O H1 3 0.423800 1.0079 0 - 12141 H2O 3375 H2O H2 3 0.423800 1.0079 0 - 12142 H2O 3376 H2O O1 4 -0.847600 15.9994 0 - 12143 H2O 3376 H2O H1 3 0.423800 1.0079 0 - 12144 H2O 3376 H2O H2 3 0.423800 1.0079 0 - 12145 H2O 3377 H2O O1 4 -0.847600 15.9994 0 - 12146 H2O 3377 H2O H1 3 0.423800 1.0079 0 - 12147 H2O 3377 H2O H2 3 0.423800 1.0079 0 - 12148 H2O 3378 H2O O1 4 -0.847600 15.9994 0 - 12149 H2O 3378 H2O H1 3 0.423800 1.0079 0 - 12150 H2O 3378 H2O H2 3 0.423800 1.0079 0 - 12151 H2O 3379 H2O O1 4 -0.847600 15.9994 0 - 12152 H2O 3379 H2O H1 3 0.423800 1.0079 0 - 12153 H2O 3379 H2O H2 3 0.423800 1.0079 0 - 12154 H2O 3380 H2O O1 4 -0.847600 15.9994 0 - 12155 H2O 3380 H2O H1 3 0.423800 1.0079 0 - 12156 H2O 3380 H2O H2 3 0.423800 1.0079 0 - 12157 H2O 3381 H2O O1 4 -0.847600 15.9994 0 - 12158 H2O 3381 H2O H1 3 0.423800 1.0079 0 - 12159 H2O 3381 H2O H2 3 0.423800 1.0079 0 - 12160 H2O 3382 H2O O1 4 -0.847600 15.9994 0 - 12161 H2O 3382 H2O H1 3 0.423800 1.0079 0 - 12162 H2O 3382 H2O H2 3 0.423800 1.0079 0 - 12163 H2O 3383 H2O O1 4 -0.847600 15.9994 0 - 12164 H2O 3383 H2O H1 3 0.423800 1.0079 0 - 12165 H2O 3383 H2O H2 3 0.423800 1.0079 0 - 12166 H2O 3384 H2O O1 4 -0.847600 15.9994 0 - 12167 H2O 3384 H2O H1 3 0.423800 1.0079 0 - 12168 H2O 3384 H2O H2 3 0.423800 1.0079 0 - 12169 H2O 3385 H2O O1 4 -0.847600 15.9994 0 - 12170 H2O 3385 H2O H1 3 0.423800 1.0079 0 - 12171 H2O 3385 H2O H2 3 0.423800 1.0079 0 - 12172 H2O 3386 H2O O1 4 -0.847600 15.9994 0 - 12173 H2O 3386 H2O H1 3 0.423800 1.0079 0 - 12174 H2O 3386 H2O H2 3 0.423800 1.0079 0 - 12175 H2O 3387 H2O O1 4 -0.847600 15.9994 0 - 12176 H2O 3387 H2O H1 3 0.423800 1.0079 0 - 12177 H2O 3387 H2O H2 3 0.423800 1.0079 0 - 12178 H2O 3388 H2O O1 4 -0.847600 15.9994 0 - 12179 H2O 3388 H2O H1 3 0.423800 1.0079 0 - 12180 H2O 3388 H2O H2 3 0.423800 1.0079 0 - 12181 H2O 3389 H2O O1 4 -0.847600 15.9994 0 - 12182 H2O 3389 H2O H1 3 0.423800 1.0079 0 - 12183 H2O 3389 H2O H2 3 0.423800 1.0079 0 - 12184 H2O 3390 H2O O1 4 -0.847600 15.9994 0 - 12185 H2O 3390 H2O H1 3 0.423800 1.0079 0 - 12186 H2O 3390 H2O H2 3 0.423800 1.0079 0 - 12187 H2O 3391 H2O O1 4 -0.847600 15.9994 0 - 12188 H2O 3391 H2O H1 3 0.423800 1.0079 0 - 12189 H2O 3391 H2O H2 3 0.423800 1.0079 0 - 12190 H2O 3392 H2O O1 4 -0.847600 15.9994 0 - 12191 H2O 3392 H2O H1 3 0.423800 1.0079 0 - 12192 H2O 3392 H2O H2 3 0.423800 1.0079 0 - 12193 H2O 3393 H2O O1 4 -0.847600 15.9994 0 - 12194 H2O 3393 H2O H1 3 0.423800 1.0079 0 - 12195 H2O 3393 H2O H2 3 0.423800 1.0079 0 - 12196 H2O 3394 H2O O1 4 -0.847600 15.9994 0 - 12197 H2O 3394 H2O H1 3 0.423800 1.0079 0 - 12198 H2O 3394 H2O H2 3 0.423800 1.0079 0 - 12199 H2O 3395 H2O O1 4 -0.847600 15.9994 0 - 12200 H2O 3395 H2O H1 3 0.423800 1.0079 0 - 12201 H2O 3395 H2O H2 3 0.423800 1.0079 0 - 12202 H2O 3396 H2O O1 4 -0.847600 15.9994 0 - 12203 H2O 3396 H2O H1 3 0.423800 1.0079 0 - 12204 H2O 3396 H2O H2 3 0.423800 1.0079 0 - 12205 H2O 3397 H2O O1 4 -0.847600 15.9994 0 - 12206 H2O 3397 H2O H1 3 0.423800 1.0079 0 - 12207 H2O 3397 H2O H2 3 0.423800 1.0079 0 - 12208 H2O 3398 H2O O1 4 -0.847600 15.9994 0 - 12209 H2O 3398 H2O H1 3 0.423800 1.0079 0 - 12210 H2O 3398 H2O H2 3 0.423800 1.0079 0 - 12211 H2O 3399 H2O O1 4 -0.847600 15.9994 0 - 12212 H2O 3399 H2O H1 3 0.423800 1.0079 0 - 12213 H2O 3399 H2O H2 3 0.423800 1.0079 0 - 12214 H2O 3400 H2O O1 4 -0.847600 15.9994 0 - 12215 H2O 3400 H2O H1 3 0.423800 1.0079 0 - 12216 H2O 3400 H2O H2 3 0.423800 1.0079 0 - 12217 H2O 3401 H2O O1 4 -0.847600 15.9994 0 - 12218 H2O 3401 H2O H1 3 0.423800 1.0079 0 - 12219 H2O 3401 H2O H2 3 0.423800 1.0079 0 - 12220 H2O 3402 H2O O1 4 -0.847600 15.9994 0 - 12221 H2O 3402 H2O H1 3 0.423800 1.0079 0 - 12222 H2O 3402 H2O H2 3 0.423800 1.0079 0 - 12223 H2O 3403 H2O O1 4 -0.847600 15.9994 0 - 12224 H2O 3403 H2O H1 3 0.423800 1.0079 0 - 12225 H2O 3403 H2O H2 3 0.423800 1.0079 0 - 12226 H2O 3404 H2O O1 4 -0.847600 15.9994 0 - 12227 H2O 3404 H2O H1 3 0.423800 1.0079 0 - 12228 H2O 3404 H2O H2 3 0.423800 1.0079 0 - 12229 H2O 3405 H2O O1 4 -0.847600 15.9994 0 - 12230 H2O 3405 H2O H1 3 0.423800 1.0079 0 - 12231 H2O 3405 H2O H2 3 0.423800 1.0079 0 - 12232 H2O 3406 H2O O1 4 -0.847600 15.9994 0 - 12233 H2O 3406 H2O H1 3 0.423800 1.0079 0 - 12234 H2O 3406 H2O H2 3 0.423800 1.0079 0 - 12235 H2O 3407 H2O O1 4 -0.847600 15.9994 0 - 12236 H2O 3407 H2O H1 3 0.423800 1.0079 0 - 12237 H2O 3407 H2O H2 3 0.423800 1.0079 0 - 12238 H2O 3408 H2O O1 4 -0.847600 15.9994 0 - 12239 H2O 3408 H2O H1 3 0.423800 1.0079 0 - 12240 H2O 3408 H2O H2 3 0.423800 1.0079 0 - 12241 H2O 3409 H2O O1 4 -0.847600 15.9994 0 - 12242 H2O 3409 H2O H1 3 0.423800 1.0079 0 - 12243 H2O 3409 H2O H2 3 0.423800 1.0079 0 - 12244 H2O 3410 H2O O1 4 -0.847600 15.9994 0 - 12245 H2O 3410 H2O H1 3 0.423800 1.0079 0 - 12246 H2O 3410 H2O H2 3 0.423800 1.0079 0 - 12247 H2O 3411 H2O O1 4 -0.847600 15.9994 0 - 12248 H2O 3411 H2O H1 3 0.423800 1.0079 0 - 12249 H2O 3411 H2O H2 3 0.423800 1.0079 0 - 12250 H2O 3412 H2O O1 4 -0.847600 15.9994 0 - 12251 H2O 3412 H2O H1 3 0.423800 1.0079 0 - 12252 H2O 3412 H2O H2 3 0.423800 1.0079 0 - 12253 H2O 3413 H2O O1 4 -0.847600 15.9994 0 - 12254 H2O 3413 H2O H1 3 0.423800 1.0079 0 - 12255 H2O 3413 H2O H2 3 0.423800 1.0079 0 - 12256 H2O 3414 H2O O1 4 -0.847600 15.9994 0 - 12257 H2O 3414 H2O H1 3 0.423800 1.0079 0 - 12258 H2O 3414 H2O H2 3 0.423800 1.0079 0 - 12259 H2O 3415 H2O O1 4 -0.847600 15.9994 0 - 12260 H2O 3415 H2O H1 3 0.423800 1.0079 0 - 12261 H2O 3415 H2O H2 3 0.423800 1.0079 0 - 12262 H2O 3416 H2O O1 4 -0.847600 15.9994 0 - 12263 H2O 3416 H2O H1 3 0.423800 1.0079 0 - 12264 H2O 3416 H2O H2 3 0.423800 1.0079 0 - 12265 H2O 3417 H2O O1 4 -0.847600 15.9994 0 - 12266 H2O 3417 H2O H1 3 0.423800 1.0079 0 - 12267 H2O 3417 H2O H2 3 0.423800 1.0079 0 - 12268 H2O 3418 H2O O1 4 -0.847600 15.9994 0 - 12269 H2O 3418 H2O H1 3 0.423800 1.0079 0 - 12270 H2O 3418 H2O H2 3 0.423800 1.0079 0 - 12271 H2O 3419 H2O O1 4 -0.847600 15.9994 0 - 12272 H2O 3419 H2O H1 3 0.423800 1.0079 0 - 12273 H2O 3419 H2O H2 3 0.423800 1.0079 0 - 12274 H2O 3420 H2O O1 4 -0.847600 15.9994 0 - 12275 H2O 3420 H2O H1 3 0.423800 1.0079 0 - 12276 H2O 3420 H2O H2 3 0.423800 1.0079 0 - 12277 H2O 3421 H2O O1 4 -0.847600 15.9994 0 - 12278 H2O 3421 H2O H1 3 0.423800 1.0079 0 - 12279 H2O 3421 H2O H2 3 0.423800 1.0079 0 - 12280 H2O 3422 H2O O1 4 -0.847600 15.9994 0 - 12281 H2O 3422 H2O H1 3 0.423800 1.0079 0 - 12282 H2O 3422 H2O H2 3 0.423800 1.0079 0 - 12283 H2O 3423 H2O O1 4 -0.847600 15.9994 0 - 12284 H2O 3423 H2O H1 3 0.423800 1.0079 0 - 12285 H2O 3423 H2O H2 3 0.423800 1.0079 0 - 12286 H2O 3424 H2O O1 4 -0.847600 15.9994 0 - 12287 H2O 3424 H2O H1 3 0.423800 1.0079 0 - 12288 H2O 3424 H2O H2 3 0.423800 1.0079 0 - 12289 H2O 3425 H2O O1 4 -0.847600 15.9994 0 - 12290 H2O 3425 H2O H1 3 0.423800 1.0079 0 - 12291 H2O 3425 H2O H2 3 0.423800 1.0079 0 - 12292 H2O 3426 H2O O1 4 -0.847600 15.9994 0 - 12293 H2O 3426 H2O H1 3 0.423800 1.0079 0 - 12294 H2O 3426 H2O H2 3 0.423800 1.0079 0 - 12295 H2O 3427 H2O O1 4 -0.847600 15.9994 0 - 12296 H2O 3427 H2O H1 3 0.423800 1.0079 0 - 12297 H2O 3427 H2O H2 3 0.423800 1.0079 0 - 12298 H2O 3428 H2O O1 4 -0.847600 15.9994 0 - 12299 H2O 3428 H2O H1 3 0.423800 1.0079 0 - 12300 H2O 3428 H2O H2 3 0.423800 1.0079 0 - 12301 H2O 3429 H2O O1 4 -0.847600 15.9994 0 - 12302 H2O 3429 H2O H1 3 0.423800 1.0079 0 - 12303 H2O 3429 H2O H2 3 0.423800 1.0079 0 - 12304 H2O 3430 H2O O1 4 -0.847600 15.9994 0 - 12305 H2O 3430 H2O H1 3 0.423800 1.0079 0 - 12306 H2O 3430 H2O H2 3 0.423800 1.0079 0 - 12307 H2O 3431 H2O O1 4 -0.847600 15.9994 0 - 12308 H2O 3431 H2O H1 3 0.423800 1.0079 0 - 12309 H2O 3431 H2O H2 3 0.423800 1.0079 0 - 12310 H2O 3432 H2O O1 4 -0.847600 15.9994 0 - 12311 H2O 3432 H2O H1 3 0.423800 1.0079 0 - 12312 H2O 3432 H2O H2 3 0.423800 1.0079 0 - 12313 H2O 3433 H2O O1 4 -0.847600 15.9994 0 - 12314 H2O 3433 H2O H1 3 0.423800 1.0079 0 - 12315 H2O 3433 H2O H2 3 0.423800 1.0079 0 - 12316 H2O 3434 H2O O1 4 -0.847600 15.9994 0 - 12317 H2O 3434 H2O H1 3 0.423800 1.0079 0 - 12318 H2O 3434 H2O H2 3 0.423800 1.0079 0 - 12319 H2O 3435 H2O O1 4 -0.847600 15.9994 0 - 12320 H2O 3435 H2O H1 3 0.423800 1.0079 0 - 12321 H2O 3435 H2O H2 3 0.423800 1.0079 0 - 12322 H2O 3436 H2O O1 4 -0.847600 15.9994 0 - 12323 H2O 3436 H2O H1 3 0.423800 1.0079 0 - 12324 H2O 3436 H2O H2 3 0.423800 1.0079 0 - 12325 H2O 3437 H2O O1 4 -0.847600 15.9994 0 - 12326 H2O 3437 H2O H1 3 0.423800 1.0079 0 - 12327 H2O 3437 H2O H2 3 0.423800 1.0079 0 - 12328 H2O 3438 H2O O1 4 -0.847600 15.9994 0 - 12329 H2O 3438 H2O H1 3 0.423800 1.0079 0 - 12330 H2O 3438 H2O H2 3 0.423800 1.0079 0 - 12331 H2O 3439 H2O O1 4 -0.847600 15.9994 0 - 12332 H2O 3439 H2O H1 3 0.423800 1.0079 0 - 12333 H2O 3439 H2O H2 3 0.423800 1.0079 0 - 12334 H2O 3440 H2O O1 4 -0.847600 15.9994 0 - 12335 H2O 3440 H2O H1 3 0.423800 1.0079 0 - 12336 H2O 3440 H2O H2 3 0.423800 1.0079 0 - 12337 H2O 3441 H2O O1 4 -0.847600 15.9994 0 - 12338 H2O 3441 H2O H1 3 0.423800 1.0079 0 - 12339 H2O 3441 H2O H2 3 0.423800 1.0079 0 - 12340 H2O 3442 H2O O1 4 -0.847600 15.9994 0 - 12341 H2O 3442 H2O H1 3 0.423800 1.0079 0 - 12342 H2O 3442 H2O H2 3 0.423800 1.0079 0 - 12343 H2O 3443 H2O O1 4 -0.847600 15.9994 0 - 12344 H2O 3443 H2O H1 3 0.423800 1.0079 0 - 12345 H2O 3443 H2O H2 3 0.423800 1.0079 0 - 12346 H2O 3444 H2O O1 4 -0.847600 15.9994 0 - 12347 H2O 3444 H2O H1 3 0.423800 1.0079 0 - 12348 H2O 3444 H2O H2 3 0.423800 1.0079 0 - 12349 H2O 3445 H2O O1 4 -0.847600 15.9994 0 - 12350 H2O 3445 H2O H1 3 0.423800 1.0079 0 - 12351 H2O 3445 H2O H2 3 0.423800 1.0079 0 - 12352 H2O 3446 H2O O1 4 -0.847600 15.9994 0 - 12353 H2O 3446 H2O H1 3 0.423800 1.0079 0 - 12354 H2O 3446 H2O H2 3 0.423800 1.0079 0 - 12355 H2O 3447 H2O O1 4 -0.847600 15.9994 0 - 12356 H2O 3447 H2O H1 3 0.423800 1.0079 0 - 12357 H2O 3447 H2O H2 3 0.423800 1.0079 0 - 12358 H2O 3448 H2O O1 4 -0.847600 15.9994 0 - 12359 H2O 3448 H2O H1 3 0.423800 1.0079 0 - 12360 H2O 3448 H2O H2 3 0.423800 1.0079 0 - 12361 H2O 3449 H2O O1 4 -0.847600 15.9994 0 - 12362 H2O 3449 H2O H1 3 0.423800 1.0079 0 - 12363 H2O 3449 H2O H2 3 0.423800 1.0079 0 - 12364 H2O 3450 H2O O1 4 -0.847600 15.9994 0 - 12365 H2O 3450 H2O H1 3 0.423800 1.0079 0 - 12366 H2O 3450 H2O H2 3 0.423800 1.0079 0 - 12367 H2O 3451 H2O O1 4 -0.847600 15.9994 0 - 12368 H2O 3451 H2O H1 3 0.423800 1.0079 0 - 12369 H2O 3451 H2O H2 3 0.423800 1.0079 0 - 12370 H2O 3452 H2O O1 4 -0.847600 15.9994 0 - 12371 H2O 3452 H2O H1 3 0.423800 1.0079 0 - 12372 H2O 3452 H2O H2 3 0.423800 1.0079 0 - 12373 H2O 3453 H2O O1 4 -0.847600 15.9994 0 - 12374 H2O 3453 H2O H1 3 0.423800 1.0079 0 - 12375 H2O 3453 H2O H2 3 0.423800 1.0079 0 - 12376 H2O 3454 H2O O1 4 -0.847600 15.9994 0 - 12377 H2O 3454 H2O H1 3 0.423800 1.0079 0 - 12378 H2O 3454 H2O H2 3 0.423800 1.0079 0 - 12379 H2O 3455 H2O O1 4 -0.847600 15.9994 0 - 12380 H2O 3455 H2O H1 3 0.423800 1.0079 0 - 12381 H2O 3455 H2O H2 3 0.423800 1.0079 0 - 12382 H2O 3456 H2O O1 4 -0.847600 15.9994 0 - 12383 H2O 3456 H2O H1 3 0.423800 1.0079 0 - 12384 H2O 3456 H2O H2 3 0.423800 1.0079 0 - 12385 H2O 3457 H2O O1 4 -0.847600 15.9994 0 - 12386 H2O 3457 H2O H1 3 0.423800 1.0079 0 - 12387 H2O 3457 H2O H2 3 0.423800 1.0079 0 - 12388 H2O 3458 H2O O1 4 -0.847600 15.9994 0 - 12389 H2O 3458 H2O H1 3 0.423800 1.0079 0 - 12390 H2O 3458 H2O H2 3 0.423800 1.0079 0 - 12391 H2O 3459 H2O O1 4 -0.847600 15.9994 0 - 12392 H2O 3459 H2O H1 3 0.423800 1.0079 0 - 12393 H2O 3459 H2O H2 3 0.423800 1.0079 0 - 12394 H2O 3460 H2O O1 4 -0.847600 15.9994 0 - 12395 H2O 3460 H2O H1 3 0.423800 1.0079 0 - 12396 H2O 3460 H2O H2 3 0.423800 1.0079 0 - 12397 H2O 3461 H2O O1 4 -0.847600 15.9994 0 - 12398 H2O 3461 H2O H1 3 0.423800 1.0079 0 - 12399 H2O 3461 H2O H2 3 0.423800 1.0079 0 - 12400 H2O 3462 H2O O1 4 -0.847600 15.9994 0 - 12401 H2O 3462 H2O H1 3 0.423800 1.0079 0 - 12402 H2O 3462 H2O H2 3 0.423800 1.0079 0 - 12403 H2O 3463 H2O O1 4 -0.847600 15.9994 0 - 12404 H2O 3463 H2O H1 3 0.423800 1.0079 0 - 12405 H2O 3463 H2O H2 3 0.423800 1.0079 0 - 12406 H2O 3464 H2O O1 4 -0.847600 15.9994 0 - 12407 H2O 3464 H2O H1 3 0.423800 1.0079 0 - 12408 H2O 3464 H2O H2 3 0.423800 1.0079 0 - 12409 H2O 3465 H2O O1 4 -0.847600 15.9994 0 - 12410 H2O 3465 H2O H1 3 0.423800 1.0079 0 - 12411 H2O 3465 H2O H2 3 0.423800 1.0079 0 - 12412 H2O 3466 H2O O1 4 -0.847600 15.9994 0 - 12413 H2O 3466 H2O H1 3 0.423800 1.0079 0 - 12414 H2O 3466 H2O H2 3 0.423800 1.0079 0 - 12415 H2O 3467 H2O O1 4 -0.847600 15.9994 0 - 12416 H2O 3467 H2O H1 3 0.423800 1.0079 0 - 12417 H2O 3467 H2O H2 3 0.423800 1.0079 0 - 12418 H2O 3468 H2O O1 4 -0.847600 15.9994 0 - 12419 H2O 3468 H2O H1 3 0.423800 1.0079 0 - 12420 H2O 3468 H2O H2 3 0.423800 1.0079 0 - 12421 H2O 3469 H2O O1 4 -0.847600 15.9994 0 - 12422 H2O 3469 H2O H1 3 0.423800 1.0079 0 - 12423 H2O 3469 H2O H2 3 0.423800 1.0079 0 - 12424 H2O 3470 H2O O1 4 -0.847600 15.9994 0 - 12425 H2O 3470 H2O H1 3 0.423800 1.0079 0 - 12426 H2O 3470 H2O H2 3 0.423800 1.0079 0 - 12427 H2O 3471 H2O O1 4 -0.847600 15.9994 0 - 12428 H2O 3471 H2O H1 3 0.423800 1.0079 0 - 12429 H2O 3471 H2O H2 3 0.423800 1.0079 0 - 12430 H2O 3472 H2O O1 4 -0.847600 15.9994 0 - 12431 H2O 3472 H2O H1 3 0.423800 1.0079 0 - 12432 H2O 3472 H2O H2 3 0.423800 1.0079 0 - 12433 H2O 3473 H2O O1 4 -0.847600 15.9994 0 - 12434 H2O 3473 H2O H1 3 0.423800 1.0079 0 - 12435 H2O 3473 H2O H2 3 0.423800 1.0079 0 - 12436 H2O 3474 H2O O1 4 -0.847600 15.9994 0 - 12437 H2O 3474 H2O H1 3 0.423800 1.0079 0 - 12438 H2O 3474 H2O H2 3 0.423800 1.0079 0 - 12439 H2O 3475 H2O O1 4 -0.847600 15.9994 0 - 12440 H2O 3475 H2O H1 3 0.423800 1.0079 0 - 12441 H2O 3475 H2O H2 3 0.423800 1.0079 0 - 12442 H2O 3476 H2O O1 4 -0.847600 15.9994 0 - 12443 H2O 3476 H2O H1 3 0.423800 1.0079 0 - 12444 H2O 3476 H2O H2 3 0.423800 1.0079 0 - 12445 H2O 3477 H2O O1 4 -0.847600 15.9994 0 - 12446 H2O 3477 H2O H1 3 0.423800 1.0079 0 - 12447 H2O 3477 H2O H2 3 0.423800 1.0079 0 - 12448 H2O 3478 H2O O1 4 -0.847600 15.9994 0 - 12449 H2O 3478 H2O H1 3 0.423800 1.0079 0 - 12450 H2O 3478 H2O H2 3 0.423800 1.0079 0 - 12451 H2O 3479 H2O O1 4 -0.847600 15.9994 0 - 12452 H2O 3479 H2O H1 3 0.423800 1.0079 0 - 12453 H2O 3479 H2O H2 3 0.423800 1.0079 0 - 12454 H2O 3480 H2O O1 4 -0.847600 15.9994 0 - 12455 H2O 3480 H2O H1 3 0.423800 1.0079 0 - 12456 H2O 3480 H2O H2 3 0.423800 1.0079 0 - 12457 H2O 3481 H2O O1 4 -0.847600 15.9994 0 - 12458 H2O 3481 H2O H1 3 0.423800 1.0079 0 - 12459 H2O 3481 H2O H2 3 0.423800 1.0079 0 - 12460 H2O 3482 H2O O1 4 -0.847600 15.9994 0 - 12461 H2O 3482 H2O H1 3 0.423800 1.0079 0 - 12462 H2O 3482 H2O H2 3 0.423800 1.0079 0 - 12463 H2O 3483 H2O O1 4 -0.847600 15.9994 0 - 12464 H2O 3483 H2O H1 3 0.423800 1.0079 0 - 12465 H2O 3483 H2O H2 3 0.423800 1.0079 0 - 12466 H2O 3484 H2O O1 4 -0.847600 15.9994 0 - 12467 H2O 3484 H2O H1 3 0.423800 1.0079 0 - 12468 H2O 3484 H2O H2 3 0.423800 1.0079 0 - 12469 H2O 3485 H2O O1 4 -0.847600 15.9994 0 - 12470 H2O 3485 H2O H1 3 0.423800 1.0079 0 - 12471 H2O 3485 H2O H2 3 0.423800 1.0079 0 - 12472 H2O 3486 H2O O1 4 -0.847600 15.9994 0 - 12473 H2O 3486 H2O H1 3 0.423800 1.0079 0 - 12474 H2O 3486 H2O H2 3 0.423800 1.0079 0 - 12475 H2O 3487 H2O O1 4 -0.847600 15.9994 0 - 12476 H2O 3487 H2O H1 3 0.423800 1.0079 0 - 12477 H2O 3487 H2O H2 3 0.423800 1.0079 0 - 12478 H2O 3488 H2O O1 4 -0.847600 15.9994 0 - 12479 H2O 3488 H2O H1 3 0.423800 1.0079 0 - 12480 H2O 3488 H2O H2 3 0.423800 1.0079 0 - 12481 H2O 3489 H2O O1 4 -0.847600 15.9994 0 - 12482 H2O 3489 H2O H1 3 0.423800 1.0079 0 - 12483 H2O 3489 H2O H2 3 0.423800 1.0079 0 - 12484 H2O 3490 H2O O1 4 -0.847600 15.9994 0 - 12485 H2O 3490 H2O H1 3 0.423800 1.0079 0 - 12486 H2O 3490 H2O H2 3 0.423800 1.0079 0 - 12487 H2O 3491 H2O O1 4 -0.847600 15.9994 0 - 12488 H2O 3491 H2O H1 3 0.423800 1.0079 0 - 12489 H2O 3491 H2O H2 3 0.423800 1.0079 0 - 12490 H2O 3492 H2O O1 4 -0.847600 15.9994 0 - 12491 H2O 3492 H2O H1 3 0.423800 1.0079 0 - 12492 H2O 3492 H2O H2 3 0.423800 1.0079 0 - 12493 H2O 3493 H2O O1 4 -0.847600 15.9994 0 - 12494 H2O 3493 H2O H1 3 0.423800 1.0079 0 - 12495 H2O 3493 H2O H2 3 0.423800 1.0079 0 - 12496 H2O 3494 H2O O1 4 -0.847600 15.9994 0 - 12497 H2O 3494 H2O H1 3 0.423800 1.0079 0 - 12498 H2O 3494 H2O H2 3 0.423800 1.0079 0 - 12499 H2O 3495 H2O O1 4 -0.847600 15.9994 0 - 12500 H2O 3495 H2O H1 3 0.423800 1.0079 0 - 12501 H2O 3495 H2O H2 3 0.423800 1.0079 0 - 12502 H2O 3496 H2O O1 4 -0.847600 15.9994 0 - 12503 H2O 3496 H2O H1 3 0.423800 1.0079 0 - 12504 H2O 3496 H2O H2 3 0.423800 1.0079 0 - 12505 H2O 3497 H2O O1 4 -0.847600 15.9994 0 - 12506 H2O 3497 H2O H1 3 0.423800 1.0079 0 - 12507 H2O 3497 H2O H2 3 0.423800 1.0079 0 - 12508 H2O 3498 H2O O1 4 -0.847600 15.9994 0 - 12509 H2O 3498 H2O H1 3 0.423800 1.0079 0 - 12510 H2O 3498 H2O H2 3 0.423800 1.0079 0 - 12511 H2O 3499 H2O O1 4 -0.847600 15.9994 0 - 12512 H2O 3499 H2O H1 3 0.423800 1.0079 0 - 12513 H2O 3499 H2O H2 3 0.423800 1.0079 0 - 12514 H2O 3500 H2O O1 4 -0.847600 15.9994 0 - 12515 H2O 3500 H2O H1 3 0.423800 1.0079 0 - 12516 H2O 3500 H2O H2 3 0.423800 1.0079 0 - 12517 H2O 3501 H2O O1 4 -0.847600 15.9994 0 - 12518 H2O 3501 H2O H1 3 0.423800 1.0079 0 - 12519 H2O 3501 H2O H2 3 0.423800 1.0079 0 - 12520 H2O 3502 H2O O1 4 -0.847600 15.9994 0 - 12521 H2O 3502 H2O H1 3 0.423800 1.0079 0 - 12522 H2O 3502 H2O H2 3 0.423800 1.0079 0 - 12523 H2O 3503 H2O O1 4 -0.847600 15.9994 0 - 12524 H2O 3503 H2O H1 3 0.423800 1.0079 0 - 12525 H2O 3503 H2O H2 3 0.423800 1.0079 0 - 12526 H2O 3504 H2O O1 4 -0.847600 15.9994 0 - 12527 H2O 3504 H2O H1 3 0.423800 1.0079 0 - 12528 H2O 3504 H2O H2 3 0.423800 1.0079 0 - 12529 H2O 3505 H2O O1 4 -0.847600 15.9994 0 - 12530 H2O 3505 H2O H1 3 0.423800 1.0079 0 - 12531 H2O 3505 H2O H2 3 0.423800 1.0079 0 - 12532 H2O 3506 H2O O1 4 -0.847600 15.9994 0 - 12533 H2O 3506 H2O H1 3 0.423800 1.0079 0 - 12534 H2O 3506 H2O H2 3 0.423800 1.0079 0 - 12535 H2O 3507 H2O O1 4 -0.847600 15.9994 0 - 12536 H2O 3507 H2O H1 3 0.423800 1.0079 0 - 12537 H2O 3507 H2O H2 3 0.423800 1.0079 0 - 12538 H2O 3508 H2O O1 4 -0.847600 15.9994 0 - 12539 H2O 3508 H2O H1 3 0.423800 1.0079 0 - 12540 H2O 3508 H2O H2 3 0.423800 1.0079 0 - 12541 H2O 3509 H2O O1 4 -0.847600 15.9994 0 - 12542 H2O 3509 H2O H1 3 0.423800 1.0079 0 - 12543 H2O 3509 H2O H2 3 0.423800 1.0079 0 - 12544 H2O 3510 H2O O1 4 -0.847600 15.9994 0 - 12545 H2O 3510 H2O H1 3 0.423800 1.0079 0 - 12546 H2O 3510 H2O H2 3 0.423800 1.0079 0 - 12547 H2O 3511 H2O O1 4 -0.847600 15.9994 0 - 12548 H2O 3511 H2O H1 3 0.423800 1.0079 0 - 12549 H2O 3511 H2O H2 3 0.423800 1.0079 0 - 12550 H2O 3512 H2O O1 4 -0.847600 15.9994 0 - 12551 H2O 3512 H2O H1 3 0.423800 1.0079 0 - 12552 H2O 3512 H2O H2 3 0.423800 1.0079 0 - 12553 H2O 3513 H2O O1 4 -0.847600 15.9994 0 - 12554 H2O 3513 H2O H1 3 0.423800 1.0079 0 - 12555 H2O 3513 H2O H2 3 0.423800 1.0079 0 - 12556 H2O 3514 H2O O1 4 -0.847600 15.9994 0 - 12557 H2O 3514 H2O H1 3 0.423800 1.0079 0 - 12558 H2O 3514 H2O H2 3 0.423800 1.0079 0 - 12559 H2O 3515 H2O O1 4 -0.847600 15.9994 0 - 12560 H2O 3515 H2O H1 3 0.423800 1.0079 0 - 12561 H2O 3515 H2O H2 3 0.423800 1.0079 0 - 12562 H2O 3516 H2O O1 4 -0.847600 15.9994 0 - 12563 H2O 3516 H2O H1 3 0.423800 1.0079 0 - 12564 H2O 3516 H2O H2 3 0.423800 1.0079 0 - 12565 H2O 3517 H2O O1 4 -0.847600 15.9994 0 - 12566 H2O 3517 H2O H1 3 0.423800 1.0079 0 - 12567 H2O 3517 H2O H2 3 0.423800 1.0079 0 - 12568 H2O 3518 H2O O1 4 -0.847600 15.9994 0 - 12569 H2O 3518 H2O H1 3 0.423800 1.0079 0 - 12570 H2O 3518 H2O H2 3 0.423800 1.0079 0 - 12571 H2O 3519 H2O O1 4 -0.847600 15.9994 0 - 12572 H2O 3519 H2O H1 3 0.423800 1.0079 0 - 12573 H2O 3519 H2O H2 3 0.423800 1.0079 0 - 12574 H2O 3520 H2O O1 4 -0.847600 15.9994 0 - 12575 H2O 3520 H2O H1 3 0.423800 1.0079 0 - 12576 H2O 3520 H2O H2 3 0.423800 1.0079 0 - 12577 H2O 3521 H2O O1 4 -0.847600 15.9994 0 - 12578 H2O 3521 H2O H1 3 0.423800 1.0079 0 - 12579 H2O 3521 H2O H2 3 0.423800 1.0079 0 - 12580 H2O 3522 H2O O1 4 -0.847600 15.9994 0 - 12581 H2O 3522 H2O H1 3 0.423800 1.0079 0 - 12582 H2O 3522 H2O H2 3 0.423800 1.0079 0 - 12583 H2O 3523 H2O O1 4 -0.847600 15.9994 0 - 12584 H2O 3523 H2O H1 3 0.423800 1.0079 0 - 12585 H2O 3523 H2O H2 3 0.423800 1.0079 0 - 12586 H2O 3524 H2O O1 4 -0.847600 15.9994 0 - 12587 H2O 3524 H2O H1 3 0.423800 1.0079 0 - 12588 H2O 3524 H2O H2 3 0.423800 1.0079 0 - 12589 H2O 3525 H2O O1 4 -0.847600 15.9994 0 - 12590 H2O 3525 H2O H1 3 0.423800 1.0079 0 - 12591 H2O 3525 H2O H2 3 0.423800 1.0079 0 - 12592 H2O 3526 H2O O1 4 -0.847600 15.9994 0 - 12593 H2O 3526 H2O H1 3 0.423800 1.0079 0 - 12594 H2O 3526 H2O H2 3 0.423800 1.0079 0 - 12595 H2O 3527 H2O O1 4 -0.847600 15.9994 0 - 12596 H2O 3527 H2O H1 3 0.423800 1.0079 0 - 12597 H2O 3527 H2O H2 3 0.423800 1.0079 0 - 12598 H2O 3528 H2O O1 4 -0.847600 15.9994 0 - 12599 H2O 3528 H2O H1 3 0.423800 1.0079 0 - 12600 H2O 3528 H2O H2 3 0.423800 1.0079 0 - 12601 H2O 3529 H2O O1 4 -0.847600 15.9994 0 - 12602 H2O 3529 H2O H1 3 0.423800 1.0079 0 - 12603 H2O 3529 H2O H2 3 0.423800 1.0079 0 - 12604 H2O 3530 H2O O1 4 -0.847600 15.9994 0 - 12605 H2O 3530 H2O H1 3 0.423800 1.0079 0 - 12606 H2O 3530 H2O H2 3 0.423800 1.0079 0 - 12607 H2O 3531 H2O O1 4 -0.847600 15.9994 0 - 12608 H2O 3531 H2O H1 3 0.423800 1.0079 0 - 12609 H2O 3531 H2O H2 3 0.423800 1.0079 0 - 12610 H2O 3532 H2O O1 4 -0.847600 15.9994 0 - 12611 H2O 3532 H2O H1 3 0.423800 1.0079 0 - 12612 H2O 3532 H2O H2 3 0.423800 1.0079 0 - 12613 H2O 3533 H2O O1 4 -0.847600 15.9994 0 - 12614 H2O 3533 H2O H1 3 0.423800 1.0079 0 - 12615 H2O 3533 H2O H2 3 0.423800 1.0079 0 - 12616 H2O 3534 H2O O1 4 -0.847600 15.9994 0 - 12617 H2O 3534 H2O H1 3 0.423800 1.0079 0 - 12618 H2O 3534 H2O H2 3 0.423800 1.0079 0 - 12619 H2O 3535 H2O O1 4 -0.847600 15.9994 0 - 12620 H2O 3535 H2O H1 3 0.423800 1.0079 0 - 12621 H2O 3535 H2O H2 3 0.423800 1.0079 0 - 12622 H2O 3536 H2O O1 4 -0.847600 15.9994 0 - 12623 H2O 3536 H2O H1 3 0.423800 1.0079 0 - 12624 H2O 3536 H2O H2 3 0.423800 1.0079 0 - 12625 H2O 3537 H2O O1 4 -0.847600 15.9994 0 - 12626 H2O 3537 H2O H1 3 0.423800 1.0079 0 - 12627 H2O 3537 H2O H2 3 0.423800 1.0079 0 - 12628 H2O 3538 H2O O1 4 -0.847600 15.9994 0 - 12629 H2O 3538 H2O H1 3 0.423800 1.0079 0 - 12630 H2O 3538 H2O H2 3 0.423800 1.0079 0 - 12631 H2O 3539 H2O O1 4 -0.847600 15.9994 0 - 12632 H2O 3539 H2O H1 3 0.423800 1.0079 0 - 12633 H2O 3539 H2O H2 3 0.423800 1.0079 0 - 12634 H2O 3540 H2O O1 4 -0.847600 15.9994 0 - 12635 H2O 3540 H2O H1 3 0.423800 1.0079 0 - 12636 H2O 3540 H2O H2 3 0.423800 1.0079 0 - 12637 H2O 3541 H2O O1 4 -0.847600 15.9994 0 - 12638 H2O 3541 H2O H1 3 0.423800 1.0079 0 - 12639 H2O 3541 H2O H2 3 0.423800 1.0079 0 - 12640 H2O 3542 H2O O1 4 -0.847600 15.9994 0 - 12641 H2O 3542 H2O H1 3 0.423800 1.0079 0 - 12642 H2O 3542 H2O H2 3 0.423800 1.0079 0 - 12643 H2O 3543 H2O O1 4 -0.847600 15.9994 0 - 12644 H2O 3543 H2O H1 3 0.423800 1.0079 0 - 12645 H2O 3543 H2O H2 3 0.423800 1.0079 0 - 12646 H2O 3544 H2O O1 4 -0.847600 15.9994 0 - 12647 H2O 3544 H2O H1 3 0.423800 1.0079 0 - 12648 H2O 3544 H2O H2 3 0.423800 1.0079 0 - 12649 H2O 3545 H2O O1 4 -0.847600 15.9994 0 - 12650 H2O 3545 H2O H1 3 0.423800 1.0079 0 - 12651 H2O 3545 H2O H2 3 0.423800 1.0079 0 - 12652 H2O 3546 H2O O1 4 -0.847600 15.9994 0 - 12653 H2O 3546 H2O H1 3 0.423800 1.0079 0 - 12654 H2O 3546 H2O H2 3 0.423800 1.0079 0 - 12655 H2O 3547 H2O O1 4 -0.847600 15.9994 0 - 12656 H2O 3547 H2O H1 3 0.423800 1.0079 0 - 12657 H2O 3547 H2O H2 3 0.423800 1.0079 0 - 12658 H2O 3548 H2O O1 4 -0.847600 15.9994 0 - 12659 H2O 3548 H2O H1 3 0.423800 1.0079 0 - 12660 H2O 3548 H2O H2 3 0.423800 1.0079 0 - 12661 H2O 3549 H2O O1 4 -0.847600 15.9994 0 - 12662 H2O 3549 H2O H1 3 0.423800 1.0079 0 - 12663 H2O 3549 H2O H2 3 0.423800 1.0079 0 - 12664 H2O 3550 H2O O1 4 -0.847600 15.9994 0 - 12665 H2O 3550 H2O H1 3 0.423800 1.0079 0 - 12666 H2O 3550 H2O H2 3 0.423800 1.0079 0 - 12667 H2O 3551 H2O O1 4 -0.847600 15.9994 0 - 12668 H2O 3551 H2O H1 3 0.423800 1.0079 0 - 12669 H2O 3551 H2O H2 3 0.423800 1.0079 0 - 12670 H2O 3552 H2O O1 4 -0.847600 15.9994 0 - 12671 H2O 3552 H2O H1 3 0.423800 1.0079 0 - 12672 H2O 3552 H2O H2 3 0.423800 1.0079 0 - 12673 H2O 3553 H2O O1 4 -0.847600 15.9994 0 - 12674 H2O 3553 H2O H1 3 0.423800 1.0079 0 - 12675 H2O 3553 H2O H2 3 0.423800 1.0079 0 - 12676 H2O 3554 H2O O1 4 -0.847600 15.9994 0 - 12677 H2O 3554 H2O H1 3 0.423800 1.0079 0 - 12678 H2O 3554 H2O H2 3 0.423800 1.0079 0 - 12679 H2O 3555 H2O O1 4 -0.847600 15.9994 0 - 12680 H2O 3555 H2O H1 3 0.423800 1.0079 0 - 12681 H2O 3555 H2O H2 3 0.423800 1.0079 0 - 12682 H2O 3556 H2O O1 4 -0.847600 15.9994 0 - 12683 H2O 3556 H2O H1 3 0.423800 1.0079 0 - 12684 H2O 3556 H2O H2 3 0.423800 1.0079 0 - 12685 H2O 3557 H2O O1 4 -0.847600 15.9994 0 - 12686 H2O 3557 H2O H1 3 0.423800 1.0079 0 - 12687 H2O 3557 H2O H2 3 0.423800 1.0079 0 - 12688 H2O 3558 H2O O1 4 -0.847600 15.9994 0 - 12689 H2O 3558 H2O H1 3 0.423800 1.0079 0 - 12690 H2O 3558 H2O H2 3 0.423800 1.0079 0 - 12691 H2O 3559 H2O O1 4 -0.847600 15.9994 0 - 12692 H2O 3559 H2O H1 3 0.423800 1.0079 0 - 12693 H2O 3559 H2O H2 3 0.423800 1.0079 0 - 12694 H2O 3560 H2O O1 4 -0.847600 15.9994 0 - 12695 H2O 3560 H2O H1 3 0.423800 1.0079 0 - 12696 H2O 3560 H2O H2 3 0.423800 1.0079 0 - 12697 H2O 3561 H2O O1 4 -0.847600 15.9994 0 - 12698 H2O 3561 H2O H1 3 0.423800 1.0079 0 - 12699 H2O 3561 H2O H2 3 0.423800 1.0079 0 - 12700 H2O 3562 H2O O1 4 -0.847600 15.9994 0 - 12701 H2O 3562 H2O H1 3 0.423800 1.0079 0 - 12702 H2O 3562 H2O H2 3 0.423800 1.0079 0 - 12703 H2O 3563 H2O O1 4 -0.847600 15.9994 0 - 12704 H2O 3563 H2O H1 3 0.423800 1.0079 0 - 12705 H2O 3563 H2O H2 3 0.423800 1.0079 0 - 12706 H2O 3564 H2O O1 4 -0.847600 15.9994 0 - 12707 H2O 3564 H2O H1 3 0.423800 1.0079 0 - 12708 H2O 3564 H2O H2 3 0.423800 1.0079 0 - 12709 H2O 3565 H2O O1 4 -0.847600 15.9994 0 - 12710 H2O 3565 H2O H1 3 0.423800 1.0079 0 - 12711 H2O 3565 H2O H2 3 0.423800 1.0079 0 - 12712 H2O 3566 H2O O1 4 -0.847600 15.9994 0 - 12713 H2O 3566 H2O H1 3 0.423800 1.0079 0 - 12714 H2O 3566 H2O H2 3 0.423800 1.0079 0 - 12715 H2O 3567 H2O O1 4 -0.847600 15.9994 0 - 12716 H2O 3567 H2O H1 3 0.423800 1.0079 0 - 12717 H2O 3567 H2O H2 3 0.423800 1.0079 0 - 12718 H2O 3568 H2O O1 4 -0.847600 15.9994 0 - 12719 H2O 3568 H2O H1 3 0.423800 1.0079 0 - 12720 H2O 3568 H2O H2 3 0.423800 1.0079 0 - 12721 H2O 3569 H2O O1 4 -0.847600 15.9994 0 - 12722 H2O 3569 H2O H1 3 0.423800 1.0079 0 - 12723 H2O 3569 H2O H2 3 0.423800 1.0079 0 - 12724 H2O 3570 H2O O1 4 -0.847600 15.9994 0 - 12725 H2O 3570 H2O H1 3 0.423800 1.0079 0 - 12726 H2O 3570 H2O H2 3 0.423800 1.0079 0 - 12727 H2O 3571 H2O O1 4 -0.847600 15.9994 0 - 12728 H2O 3571 H2O H1 3 0.423800 1.0079 0 - 12729 H2O 3571 H2O H2 3 0.423800 1.0079 0 - 12730 H2O 3572 H2O O1 4 -0.847600 15.9994 0 - 12731 H2O 3572 H2O H1 3 0.423800 1.0079 0 - 12732 H2O 3572 H2O H2 3 0.423800 1.0079 0 - 12733 H2O 3573 H2O O1 4 -0.847600 15.9994 0 - 12734 H2O 3573 H2O H1 3 0.423800 1.0079 0 - 12735 H2O 3573 H2O H2 3 0.423800 1.0079 0 - 12736 H2O 3574 H2O O1 4 -0.847600 15.9994 0 - 12737 H2O 3574 H2O H1 3 0.423800 1.0079 0 - 12738 H2O 3574 H2O H2 3 0.423800 1.0079 0 - 12739 H2O 3575 H2O O1 4 -0.847600 15.9994 0 - 12740 H2O 3575 H2O H1 3 0.423800 1.0079 0 - 12741 H2O 3575 H2O H2 3 0.423800 1.0079 0 - 12742 H2O 3576 H2O O1 4 -0.847600 15.9994 0 - 12743 H2O 3576 H2O H1 3 0.423800 1.0079 0 - 12744 H2O 3576 H2O H2 3 0.423800 1.0079 0 - 12745 H2O 3577 H2O O1 4 -0.847600 15.9994 0 - 12746 H2O 3577 H2O H1 3 0.423800 1.0079 0 - 12747 H2O 3577 H2O H2 3 0.423800 1.0079 0 - 12748 H2O 3578 H2O O1 4 -0.847600 15.9994 0 - 12749 H2O 3578 H2O H1 3 0.423800 1.0079 0 - 12750 H2O 3578 H2O H2 3 0.423800 1.0079 0 - 12751 H2O 3579 H2O O1 4 -0.847600 15.9994 0 - 12752 H2O 3579 H2O H1 3 0.423800 1.0079 0 - 12753 H2O 3579 H2O H2 3 0.423800 1.0079 0 - 12754 H2O 3580 H2O O1 4 -0.847600 15.9994 0 - 12755 H2O 3580 H2O H1 3 0.423800 1.0079 0 - 12756 H2O 3580 H2O H2 3 0.423800 1.0079 0 - 12757 H2O 3581 H2O O1 4 -0.847600 15.9994 0 - 12758 H2O 3581 H2O H1 3 0.423800 1.0079 0 - 12759 H2O 3581 H2O H2 3 0.423800 1.0079 0 - 12760 H2O 3582 H2O O1 4 -0.847600 15.9994 0 - 12761 H2O 3582 H2O H1 3 0.423800 1.0079 0 - 12762 H2O 3582 H2O H2 3 0.423800 1.0079 0 - 12763 H2O 3583 H2O O1 4 -0.847600 15.9994 0 - 12764 H2O 3583 H2O H1 3 0.423800 1.0079 0 - 12765 H2O 3583 H2O H2 3 0.423800 1.0079 0 - 12766 H2O 3584 H2O O1 4 -0.847600 15.9994 0 - 12767 H2O 3584 H2O H1 3 0.423800 1.0079 0 - 12768 H2O 3584 H2O H2 3 0.423800 1.0079 0 - 12769 H2O 3585 H2O O1 4 -0.847600 15.9994 0 - 12770 H2O 3585 H2O H1 3 0.423800 1.0079 0 - 12771 H2O 3585 H2O H2 3 0.423800 1.0079 0 - 12772 H2O 3586 H2O O1 4 -0.847600 15.9994 0 - 12773 H2O 3586 H2O H1 3 0.423800 1.0079 0 - 12774 H2O 3586 H2O H2 3 0.423800 1.0079 0 - 12775 H2O 3587 H2O O1 4 -0.847600 15.9994 0 - 12776 H2O 3587 H2O H1 3 0.423800 1.0079 0 - 12777 H2O 3587 H2O H2 3 0.423800 1.0079 0 - 12778 H2O 3588 H2O O1 4 -0.847600 15.9994 0 - 12779 H2O 3588 H2O H1 3 0.423800 1.0079 0 - 12780 H2O 3588 H2O H2 3 0.423800 1.0079 0 - 12781 H2O 3589 H2O O1 4 -0.847600 15.9994 0 - 12782 H2O 3589 H2O H1 3 0.423800 1.0079 0 - 12783 H2O 3589 H2O H2 3 0.423800 1.0079 0 - 12784 H2O 3590 H2O O1 4 -0.847600 15.9994 0 - 12785 H2O 3590 H2O H1 3 0.423800 1.0079 0 - 12786 H2O 3590 H2O H2 3 0.423800 1.0079 0 - 12787 H2O 3591 H2O O1 4 -0.847600 15.9994 0 - 12788 H2O 3591 H2O H1 3 0.423800 1.0079 0 - 12789 H2O 3591 H2O H2 3 0.423800 1.0079 0 - 12790 H2O 3592 H2O O1 4 -0.847600 15.9994 0 - 12791 H2O 3592 H2O H1 3 0.423800 1.0079 0 - 12792 H2O 3592 H2O H2 3 0.423800 1.0079 0 - 12793 H2O 3593 H2O O1 4 -0.847600 15.9994 0 - 12794 H2O 3593 H2O H1 3 0.423800 1.0079 0 - 12795 H2O 3593 H2O H2 3 0.423800 1.0079 0 - 12796 H2O 3594 H2O O1 4 -0.847600 15.9994 0 - 12797 H2O 3594 H2O H1 3 0.423800 1.0079 0 - 12798 H2O 3594 H2O H2 3 0.423800 1.0079 0 - 12799 H2O 3595 H2O O1 4 -0.847600 15.9994 0 - 12800 H2O 3595 H2O H1 3 0.423800 1.0079 0 - 12801 H2O 3595 H2O H2 3 0.423800 1.0079 0 - 12802 H2O 3596 H2O O1 4 -0.847600 15.9994 0 - 12803 H2O 3596 H2O H1 3 0.423800 1.0079 0 - 12804 H2O 3596 H2O H2 3 0.423800 1.0079 0 - 12805 H2O 3597 H2O O1 4 -0.847600 15.9994 0 - 12806 H2O 3597 H2O H1 3 0.423800 1.0079 0 - 12807 H2O 3597 H2O H2 3 0.423800 1.0079 0 - 12808 H2O 3598 H2O O1 4 -0.847600 15.9994 0 - 12809 H2O 3598 H2O H1 3 0.423800 1.0079 0 - 12810 H2O 3598 H2O H2 3 0.423800 1.0079 0 - 12811 H2O 3599 H2O O1 4 -0.847600 15.9994 0 - 12812 H2O 3599 H2O H1 3 0.423800 1.0079 0 - 12813 H2O 3599 H2O H2 3 0.423800 1.0079 0 - 12814 H2O 3600 H2O O1 4 -0.847600 15.9994 0 - 12815 H2O 3600 H2O H1 3 0.423800 1.0079 0 - 12816 H2O 3600 H2O H2 3 0.423800 1.0079 0 - 12817 H2O 3601 H2O O1 4 -0.847600 15.9994 0 - 12818 H2O 3601 H2O H1 3 0.423800 1.0079 0 - 12819 H2O 3601 H2O H2 3 0.423800 1.0079 0 - 12820 H2O 3602 H2O O1 4 -0.847600 15.9994 0 - 12821 H2O 3602 H2O H1 3 0.423800 1.0079 0 - 12822 H2O 3602 H2O H2 3 0.423800 1.0079 0 - 12823 H2O 3603 H2O O1 4 -0.847600 15.9994 0 - 12824 H2O 3603 H2O H1 3 0.423800 1.0079 0 - 12825 H2O 3603 H2O H2 3 0.423800 1.0079 0 - 12826 H2O 3604 H2O O1 4 -0.847600 15.9994 0 - 12827 H2O 3604 H2O H1 3 0.423800 1.0079 0 - 12828 H2O 3604 H2O H2 3 0.423800 1.0079 0 - 12829 H2O 3605 H2O O1 4 -0.847600 15.9994 0 - 12830 H2O 3605 H2O H1 3 0.423800 1.0079 0 - 12831 H2O 3605 H2O H2 3 0.423800 1.0079 0 - 12832 H2O 3606 H2O O1 4 -0.847600 15.9994 0 - 12833 H2O 3606 H2O H1 3 0.423800 1.0079 0 - 12834 H2O 3606 H2O H2 3 0.423800 1.0079 0 - 12835 H2O 3607 H2O O1 4 -0.847600 15.9994 0 - 12836 H2O 3607 H2O H1 3 0.423800 1.0079 0 - 12837 H2O 3607 H2O H2 3 0.423800 1.0079 0 - 12838 H2O 3608 H2O O1 4 -0.847600 15.9994 0 - 12839 H2O 3608 H2O H1 3 0.423800 1.0079 0 - 12840 H2O 3608 H2O H2 3 0.423800 1.0079 0 - 12841 H2O 3609 H2O O1 4 -0.847600 15.9994 0 - 12842 H2O 3609 H2O H1 3 0.423800 1.0079 0 - 12843 H2O 3609 H2O H2 3 0.423800 1.0079 0 - 12844 H2O 3610 H2O O1 4 -0.847600 15.9994 0 - 12845 H2O 3610 H2O H1 3 0.423800 1.0079 0 - 12846 H2O 3610 H2O H2 3 0.423800 1.0079 0 - 12847 H2O 3611 H2O O1 4 -0.847600 15.9994 0 - 12848 H2O 3611 H2O H1 3 0.423800 1.0079 0 - 12849 H2O 3611 H2O H2 3 0.423800 1.0079 0 - 12850 H2O 3612 H2O O1 4 -0.847600 15.9994 0 - 12851 H2O 3612 H2O H1 3 0.423800 1.0079 0 - 12852 H2O 3612 H2O H2 3 0.423800 1.0079 0 - 12853 H2O 3613 H2O O1 4 -0.847600 15.9994 0 - 12854 H2O 3613 H2O H1 3 0.423800 1.0079 0 - 12855 H2O 3613 H2O H2 3 0.423800 1.0079 0 - 12856 H2O 3614 H2O O1 4 -0.847600 15.9994 0 - 12857 H2O 3614 H2O H1 3 0.423800 1.0079 0 - 12858 H2O 3614 H2O H2 3 0.423800 1.0079 0 - 12859 H2O 3615 H2O O1 4 -0.847600 15.9994 0 - 12860 H2O 3615 H2O H1 3 0.423800 1.0079 0 - 12861 H2O 3615 H2O H2 3 0.423800 1.0079 0 - 12862 H2O 3616 H2O O1 4 -0.847600 15.9994 0 - 12863 H2O 3616 H2O H1 3 0.423800 1.0079 0 - 12864 H2O 3616 H2O H2 3 0.423800 1.0079 0 - 12865 H2O 3617 H2O O1 4 -0.847600 15.9994 0 - 12866 H2O 3617 H2O H1 3 0.423800 1.0079 0 - 12867 H2O 3617 H2O H2 3 0.423800 1.0079 0 - 12868 H2O 3618 H2O O1 4 -0.847600 15.9994 0 - 12869 H2O 3618 H2O H1 3 0.423800 1.0079 0 - 12870 H2O 3618 H2O H2 3 0.423800 1.0079 0 - 12871 H2O 3619 H2O O1 4 -0.847600 15.9994 0 - 12872 H2O 3619 H2O H1 3 0.423800 1.0079 0 - 12873 H2O 3619 H2O H2 3 0.423800 1.0079 0 - 12874 H2O 3620 H2O O1 4 -0.847600 15.9994 0 - 12875 H2O 3620 H2O H1 3 0.423800 1.0079 0 - 12876 H2O 3620 H2O H2 3 0.423800 1.0079 0 - 12877 H2O 3621 H2O O1 4 -0.847600 15.9994 0 - 12878 H2O 3621 H2O H1 3 0.423800 1.0079 0 - 12879 H2O 3621 H2O H2 3 0.423800 1.0079 0 - 12880 H2O 3622 H2O O1 4 -0.847600 15.9994 0 - 12881 H2O 3622 H2O H1 3 0.423800 1.0079 0 - 12882 H2O 3622 H2O H2 3 0.423800 1.0079 0 - 12883 H2O 3623 H2O O1 4 -0.847600 15.9994 0 - 12884 H2O 3623 H2O H1 3 0.423800 1.0079 0 - 12885 H2O 3623 H2O H2 3 0.423800 1.0079 0 - 12886 H2O 3624 H2O O1 4 -0.847600 15.9994 0 - 12887 H2O 3624 H2O H1 3 0.423800 1.0079 0 - 12888 H2O 3624 H2O H2 3 0.423800 1.0079 0 - 12889 H2O 3625 H2O O1 4 -0.847600 15.9994 0 - 12890 H2O 3625 H2O H1 3 0.423800 1.0079 0 - 12891 H2O 3625 H2O H2 3 0.423800 1.0079 0 - 12892 H2O 3626 H2O O1 4 -0.847600 15.9994 0 - 12893 H2O 3626 H2O H1 3 0.423800 1.0079 0 - 12894 H2O 3626 H2O H2 3 0.423800 1.0079 0 - 12895 H2O 3627 H2O O1 4 -0.847600 15.9994 0 - 12896 H2O 3627 H2O H1 3 0.423800 1.0079 0 - 12897 H2O 3627 H2O H2 3 0.423800 1.0079 0 - 12898 H2O 3628 H2O O1 4 -0.847600 15.9994 0 - 12899 H2O 3628 H2O H1 3 0.423800 1.0079 0 - 12900 H2O 3628 H2O H2 3 0.423800 1.0079 0 - 12901 H2O 3629 H2O O1 4 -0.847600 15.9994 0 - 12902 H2O 3629 H2O H1 3 0.423800 1.0079 0 - 12903 H2O 3629 H2O H2 3 0.423800 1.0079 0 - 12904 H2O 3630 H2O O1 4 -0.847600 15.9994 0 - 12905 H2O 3630 H2O H1 3 0.423800 1.0079 0 - 12906 H2O 3630 H2O H2 3 0.423800 1.0079 0 - 12907 H2O 3631 H2O O1 4 -0.847600 15.9994 0 - 12908 H2O 3631 H2O H1 3 0.423800 1.0079 0 - 12909 H2O 3631 H2O H2 3 0.423800 1.0079 0 - 12910 H2O 3632 H2O O1 4 -0.847600 15.9994 0 - 12911 H2O 3632 H2O H1 3 0.423800 1.0079 0 - 12912 H2O 3632 H2O H2 3 0.423800 1.0079 0 - 12913 H2O 3633 H2O O1 4 -0.847600 15.9994 0 - 12914 H2O 3633 H2O H1 3 0.423800 1.0079 0 - 12915 H2O 3633 H2O H2 3 0.423800 1.0079 0 - 12916 H2O 3634 H2O O1 4 -0.847600 15.9994 0 - 12917 H2O 3634 H2O H1 3 0.423800 1.0079 0 - 12918 H2O 3634 H2O H2 3 0.423800 1.0079 0 - 12919 H2O 3635 H2O O1 4 -0.847600 15.9994 0 - 12920 H2O 3635 H2O H1 3 0.423800 1.0079 0 - 12921 H2O 3635 H2O H2 3 0.423800 1.0079 0 - 12922 H2O 3636 H2O O1 4 -0.847600 15.9994 0 - 12923 H2O 3636 H2O H1 3 0.423800 1.0079 0 - 12924 H2O 3636 H2O H2 3 0.423800 1.0079 0 - 12925 H2O 3637 H2O O1 4 -0.847600 15.9994 0 - 12926 H2O 3637 H2O H1 3 0.423800 1.0079 0 - 12927 H2O 3637 H2O H2 3 0.423800 1.0079 0 - 12928 H2O 3638 H2O O1 4 -0.847600 15.9994 0 - 12929 H2O 3638 H2O H1 3 0.423800 1.0079 0 - 12930 H2O 3638 H2O H2 3 0.423800 1.0079 0 - 12931 H2O 3639 H2O O1 4 -0.847600 15.9994 0 - 12932 H2O 3639 H2O H1 3 0.423800 1.0079 0 - 12933 H2O 3639 H2O H2 3 0.423800 1.0079 0 - 12934 H2O 3640 H2O O1 4 -0.847600 15.9994 0 - 12935 H2O 3640 H2O H1 3 0.423800 1.0079 0 - 12936 H2O 3640 H2O H2 3 0.423800 1.0079 0 - 12937 H2O 3641 H2O O1 4 -0.847600 15.9994 0 - 12938 H2O 3641 H2O H1 3 0.423800 1.0079 0 - 12939 H2O 3641 H2O H2 3 0.423800 1.0079 0 - 12940 H2O 3642 H2O O1 4 -0.847600 15.9994 0 - 12941 H2O 3642 H2O H1 3 0.423800 1.0079 0 - 12942 H2O 3642 H2O H2 3 0.423800 1.0079 0 - 12943 H2O 3643 H2O O1 4 -0.847600 15.9994 0 - 12944 H2O 3643 H2O H1 3 0.423800 1.0079 0 - 12945 H2O 3643 H2O H2 3 0.423800 1.0079 0 - 12946 H2O 3644 H2O O1 4 -0.847600 15.9994 0 - 12947 H2O 3644 H2O H1 3 0.423800 1.0079 0 - 12948 H2O 3644 H2O H2 3 0.423800 1.0079 0 - 12949 H2O 3645 H2O O1 4 -0.847600 15.9994 0 - 12950 H2O 3645 H2O H1 3 0.423800 1.0079 0 - 12951 H2O 3645 H2O H2 3 0.423800 1.0079 0 - 12952 H2O 3646 H2O O1 4 -0.847600 15.9994 0 - 12953 H2O 3646 H2O H1 3 0.423800 1.0079 0 - 12954 H2O 3646 H2O H2 3 0.423800 1.0079 0 - 12955 H2O 3647 H2O O1 4 -0.847600 15.9994 0 - 12956 H2O 3647 H2O H1 3 0.423800 1.0079 0 - 12957 H2O 3647 H2O H2 3 0.423800 1.0079 0 - 12958 H2O 3648 H2O O1 4 -0.847600 15.9994 0 - 12959 H2O 3648 H2O H1 3 0.423800 1.0079 0 - 12960 H2O 3648 H2O H2 3 0.423800 1.0079 0 - 12961 H2O 3649 H2O O1 4 -0.847600 15.9994 0 - 12962 H2O 3649 H2O H1 3 0.423800 1.0079 0 - 12963 H2O 3649 H2O H2 3 0.423800 1.0079 0 - 12964 H2O 3650 H2O O1 4 -0.847600 15.9994 0 - 12965 H2O 3650 H2O H1 3 0.423800 1.0079 0 - 12966 H2O 3650 H2O H2 3 0.423800 1.0079 0 - 12967 H2O 3651 H2O O1 4 -0.847600 15.9994 0 - 12968 H2O 3651 H2O H1 3 0.423800 1.0079 0 - 12969 H2O 3651 H2O H2 3 0.423800 1.0079 0 - 12970 H2O 3652 H2O O1 4 -0.847600 15.9994 0 - 12971 H2O 3652 H2O H1 3 0.423800 1.0079 0 - 12972 H2O 3652 H2O H2 3 0.423800 1.0079 0 - 12973 H2O 3653 H2O O1 4 -0.847600 15.9994 0 - 12974 H2O 3653 H2O H1 3 0.423800 1.0079 0 - 12975 H2O 3653 H2O H2 3 0.423800 1.0079 0 - 12976 H2O 3654 H2O O1 4 -0.847600 15.9994 0 - 12977 H2O 3654 H2O H1 3 0.423800 1.0079 0 - 12978 H2O 3654 H2O H2 3 0.423800 1.0079 0 - 12979 H2O 3655 H2O O1 4 -0.847600 15.9994 0 - 12980 H2O 3655 H2O H1 3 0.423800 1.0079 0 - 12981 H2O 3655 H2O H2 3 0.423800 1.0079 0 - 12982 H2O 3656 H2O O1 4 -0.847600 15.9994 0 - 12983 H2O 3656 H2O H1 3 0.423800 1.0079 0 - 12984 H2O 3656 H2O H2 3 0.423800 1.0079 0 - 12985 H2O 3657 H2O O1 4 -0.847600 15.9994 0 - 12986 H2O 3657 H2O H1 3 0.423800 1.0079 0 - 12987 H2O 3657 H2O H2 3 0.423800 1.0079 0 - 12988 H2O 3658 H2O O1 4 -0.847600 15.9994 0 - 12989 H2O 3658 H2O H1 3 0.423800 1.0079 0 - 12990 H2O 3658 H2O H2 3 0.423800 1.0079 0 - 12991 H2O 3659 H2O O1 4 -0.847600 15.9994 0 - 12992 H2O 3659 H2O H1 3 0.423800 1.0079 0 - 12993 H2O 3659 H2O H2 3 0.423800 1.0079 0 - 12994 H2O 3660 H2O O1 4 -0.847600 15.9994 0 - 12995 H2O 3660 H2O H1 3 0.423800 1.0079 0 - 12996 H2O 3660 H2O H2 3 0.423800 1.0079 0 - 12997 H2O 3661 H2O O1 4 -0.847600 15.9994 0 - 12998 H2O 3661 H2O H1 3 0.423800 1.0079 0 - 12999 H2O 3661 H2O H2 3 0.423800 1.0079 0 - 13000 H2O 3662 H2O O1 4 -0.847600 15.9994 0 - 13001 H2O 3662 H2O H1 3 0.423800 1.0079 0 - 13002 H2O 3662 H2O H2 3 0.423800 1.0079 0 - 13003 H2O 3663 H2O O1 4 -0.847600 15.9994 0 - 13004 H2O 3663 H2O H1 3 0.423800 1.0079 0 - 13005 H2O 3663 H2O H2 3 0.423800 1.0079 0 - 13006 H2O 3664 H2O O1 4 -0.847600 15.9994 0 - 13007 H2O 3664 H2O H1 3 0.423800 1.0079 0 - 13008 H2O 3664 H2O H2 3 0.423800 1.0079 0 - 13009 H2O 3665 H2O O1 4 -0.847600 15.9994 0 - 13010 H2O 3665 H2O H1 3 0.423800 1.0079 0 - 13011 H2O 3665 H2O H2 3 0.423800 1.0079 0 - 13012 H2O 3666 H2O O1 4 -0.847600 15.9994 0 - 13013 H2O 3666 H2O H1 3 0.423800 1.0079 0 - 13014 H2O 3666 H2O H2 3 0.423800 1.0079 0 - 13015 H2O 3667 H2O O1 4 -0.847600 15.9994 0 - 13016 H2O 3667 H2O H1 3 0.423800 1.0079 0 - 13017 H2O 3667 H2O H2 3 0.423800 1.0079 0 - 13018 H2O 3668 H2O O1 4 -0.847600 15.9994 0 - 13019 H2O 3668 H2O H1 3 0.423800 1.0079 0 - 13020 H2O 3668 H2O H2 3 0.423800 1.0079 0 - 13021 H2O 3669 H2O O1 4 -0.847600 15.9994 0 - 13022 H2O 3669 H2O H1 3 0.423800 1.0079 0 - 13023 H2O 3669 H2O H2 3 0.423800 1.0079 0 - 13024 H2O 3670 H2O O1 4 -0.847600 15.9994 0 - 13025 H2O 3670 H2O H1 3 0.423800 1.0079 0 - 13026 H2O 3670 H2O H2 3 0.423800 1.0079 0 - 13027 H2O 3671 H2O O1 4 -0.847600 15.9994 0 - 13028 H2O 3671 H2O H1 3 0.423800 1.0079 0 - 13029 H2O 3671 H2O H2 3 0.423800 1.0079 0 - 13030 H2O 3672 H2O O1 4 -0.847600 15.9994 0 - 13031 H2O 3672 H2O H1 3 0.423800 1.0079 0 - 13032 H2O 3672 H2O H2 3 0.423800 1.0079 0 - 13033 H2O 3673 H2O O1 4 -0.847600 15.9994 0 - 13034 H2O 3673 H2O H1 3 0.423800 1.0079 0 - 13035 H2O 3673 H2O H2 3 0.423800 1.0079 0 - 13036 H2O 3674 H2O O1 4 -0.847600 15.9994 0 - 13037 H2O 3674 H2O H1 3 0.423800 1.0079 0 - 13038 H2O 3674 H2O H2 3 0.423800 1.0079 0 - 13039 H2O 3675 H2O O1 4 -0.847600 15.9994 0 - 13040 H2O 3675 H2O H1 3 0.423800 1.0079 0 - 13041 H2O 3675 H2O H2 3 0.423800 1.0079 0 - 13042 H2O 3676 H2O O1 4 -0.847600 15.9994 0 - 13043 H2O 3676 H2O H1 3 0.423800 1.0079 0 - 13044 H2O 3676 H2O H2 3 0.423800 1.0079 0 - 13045 H2O 3677 H2O O1 4 -0.847600 15.9994 0 - 13046 H2O 3677 H2O H1 3 0.423800 1.0079 0 - 13047 H2O 3677 H2O H2 3 0.423800 1.0079 0 - 13048 H2O 3678 H2O O1 4 -0.847600 15.9994 0 - 13049 H2O 3678 H2O H1 3 0.423800 1.0079 0 - 13050 H2O 3678 H2O H2 3 0.423800 1.0079 0 - 13051 H2O 3679 H2O O1 4 -0.847600 15.9994 0 - 13052 H2O 3679 H2O H1 3 0.423800 1.0079 0 - 13053 H2O 3679 H2O H2 3 0.423800 1.0079 0 - 13054 H2O 3680 H2O O1 4 -0.847600 15.9994 0 - 13055 H2O 3680 H2O H1 3 0.423800 1.0079 0 - 13056 H2O 3680 H2O H2 3 0.423800 1.0079 0 - 13057 H2O 3681 H2O O1 4 -0.847600 15.9994 0 - 13058 H2O 3681 H2O H1 3 0.423800 1.0079 0 - 13059 H2O 3681 H2O H2 3 0.423800 1.0079 0 - 13060 H2O 3682 H2O O1 4 -0.847600 15.9994 0 - 13061 H2O 3682 H2O H1 3 0.423800 1.0079 0 - 13062 H2O 3682 H2O H2 3 0.423800 1.0079 0 - 13063 H2O 3683 H2O O1 4 -0.847600 15.9994 0 - 13064 H2O 3683 H2O H1 3 0.423800 1.0079 0 - 13065 H2O 3683 H2O H2 3 0.423800 1.0079 0 - 13066 H2O 3684 H2O O1 4 -0.847600 15.9994 0 - 13067 H2O 3684 H2O H1 3 0.423800 1.0079 0 - 13068 H2O 3684 H2O H2 3 0.423800 1.0079 0 - 13069 H2O 3685 H2O O1 4 -0.847600 15.9994 0 - 13070 H2O 3685 H2O H1 3 0.423800 1.0079 0 - 13071 H2O 3685 H2O H2 3 0.423800 1.0079 0 - 13072 H2O 3686 H2O O1 4 -0.847600 15.9994 0 - 13073 H2O 3686 H2O H1 3 0.423800 1.0079 0 - 13074 H2O 3686 H2O H2 3 0.423800 1.0079 0 - 13075 H2O 3687 H2O O1 4 -0.847600 15.9994 0 - 13076 H2O 3687 H2O H1 3 0.423800 1.0079 0 - 13077 H2O 3687 H2O H2 3 0.423800 1.0079 0 - 13078 H2O 3688 H2O O1 4 -0.847600 15.9994 0 - 13079 H2O 3688 H2O H1 3 0.423800 1.0079 0 - 13080 H2O 3688 H2O H2 3 0.423800 1.0079 0 - 13081 H2O 3689 H2O O1 4 -0.847600 15.9994 0 - 13082 H2O 3689 H2O H1 3 0.423800 1.0079 0 - 13083 H2O 3689 H2O H2 3 0.423800 1.0079 0 - 13084 H2O 3690 H2O O1 4 -0.847600 15.9994 0 - 13085 H2O 3690 H2O H1 3 0.423800 1.0079 0 - 13086 H2O 3690 H2O H2 3 0.423800 1.0079 0 - 13087 H2O 3691 H2O O1 4 -0.847600 15.9994 0 - 13088 H2O 3691 H2O H1 3 0.423800 1.0079 0 - 13089 H2O 3691 H2O H2 3 0.423800 1.0079 0 - 13090 H2O 3692 H2O O1 4 -0.847600 15.9994 0 - 13091 H2O 3692 H2O H1 3 0.423800 1.0079 0 - 13092 H2O 3692 H2O H2 3 0.423800 1.0079 0 - 13093 H2O 3693 H2O O1 4 -0.847600 15.9994 0 - 13094 H2O 3693 H2O H1 3 0.423800 1.0079 0 - 13095 H2O 3693 H2O H2 3 0.423800 1.0079 0 - 13096 H2O 3694 H2O O1 4 -0.847600 15.9994 0 - 13097 H2O 3694 H2O H1 3 0.423800 1.0079 0 - 13098 H2O 3694 H2O H2 3 0.423800 1.0079 0 - 13099 H2O 3695 H2O O1 4 -0.847600 15.9994 0 - 13100 H2O 3695 H2O H1 3 0.423800 1.0079 0 - 13101 H2O 3695 H2O H2 3 0.423800 1.0079 0 - 13102 H2O 3696 H2O O1 4 -0.847600 15.9994 0 - 13103 H2O 3696 H2O H1 3 0.423800 1.0079 0 - 13104 H2O 3696 H2O H2 3 0.423800 1.0079 0 - 13105 H2O 3697 H2O O1 4 -0.847600 15.9994 0 - 13106 H2O 3697 H2O H1 3 0.423800 1.0079 0 - 13107 H2O 3697 H2O H2 3 0.423800 1.0079 0 - 13108 H2O 3698 H2O O1 4 -0.847600 15.9994 0 - 13109 H2O 3698 H2O H1 3 0.423800 1.0079 0 - 13110 H2O 3698 H2O H2 3 0.423800 1.0079 0 - 13111 H2O 3699 H2O O1 4 -0.847600 15.9994 0 - 13112 H2O 3699 H2O H1 3 0.423800 1.0079 0 - 13113 H2O 3699 H2O H2 3 0.423800 1.0079 0 - 13114 H2O 3700 H2O O1 4 -0.847600 15.9994 0 - 13115 H2O 3700 H2O H1 3 0.423800 1.0079 0 - 13116 H2O 3700 H2O H2 3 0.423800 1.0079 0 - 13117 H2O 3701 H2O O1 4 -0.847600 15.9994 0 - 13118 H2O 3701 H2O H1 3 0.423800 1.0079 0 - 13119 H2O 3701 H2O H2 3 0.423800 1.0079 0 - 13120 H2O 3702 H2O O1 4 -0.847600 15.9994 0 - 13121 H2O 3702 H2O H1 3 0.423800 1.0079 0 - 13122 H2O 3702 H2O H2 3 0.423800 1.0079 0 - 13123 H2O 3703 H2O O1 4 -0.847600 15.9994 0 - 13124 H2O 3703 H2O H1 3 0.423800 1.0079 0 - 13125 H2O 3703 H2O H2 3 0.423800 1.0079 0 - 13126 H2O 3704 H2O O1 4 -0.847600 15.9994 0 - 13127 H2O 3704 H2O H1 3 0.423800 1.0079 0 - 13128 H2O 3704 H2O H2 3 0.423800 1.0079 0 - 13129 H2O 3705 H2O O1 4 -0.847600 15.9994 0 - 13130 H2O 3705 H2O H1 3 0.423800 1.0079 0 - 13131 H2O 3705 H2O H2 3 0.423800 1.0079 0 - 13132 H2O 3706 H2O O1 4 -0.847600 15.9994 0 - 13133 H2O 3706 H2O H1 3 0.423800 1.0079 0 - 13134 H2O 3706 H2O H2 3 0.423800 1.0079 0 - 13135 H2O 3707 H2O O1 4 -0.847600 15.9994 0 - 13136 H2O 3707 H2O H1 3 0.423800 1.0079 0 - 13137 H2O 3707 H2O H2 3 0.423800 1.0079 0 - 13138 H2O 3708 H2O O1 4 -0.847600 15.9994 0 - 13139 H2O 3708 H2O H1 3 0.423800 1.0079 0 - 13140 H2O 3708 H2O H2 3 0.423800 1.0079 0 - 13141 H2O 3709 H2O O1 4 -0.847600 15.9994 0 - 13142 H2O 3709 H2O H1 3 0.423800 1.0079 0 - 13143 H2O 3709 H2O H2 3 0.423800 1.0079 0 - 13144 H2O 3710 H2O O1 4 -0.847600 15.9994 0 - 13145 H2O 3710 H2O H1 3 0.423800 1.0079 0 - 13146 H2O 3710 H2O H2 3 0.423800 1.0079 0 - 13147 H2O 3711 H2O O1 4 -0.847600 15.9994 0 - 13148 H2O 3711 H2O H1 3 0.423800 1.0079 0 - 13149 H2O 3711 H2O H2 3 0.423800 1.0079 0 - 13150 H2O 3712 H2O O1 4 -0.847600 15.9994 0 - 13151 H2O 3712 H2O H1 3 0.423800 1.0079 0 - 13152 H2O 3712 H2O H2 3 0.423800 1.0079 0 - 13153 H2O 3713 H2O O1 4 -0.847600 15.9994 0 - 13154 H2O 3713 H2O H1 3 0.423800 1.0079 0 - 13155 H2O 3713 H2O H2 3 0.423800 1.0079 0 - 13156 H2O 3714 H2O O1 4 -0.847600 15.9994 0 - 13157 H2O 3714 H2O H1 3 0.423800 1.0079 0 - 13158 H2O 3714 H2O H2 3 0.423800 1.0079 0 - 13159 H2O 3715 H2O O1 4 -0.847600 15.9994 0 - 13160 H2O 3715 H2O H1 3 0.423800 1.0079 0 - 13161 H2O 3715 H2O H2 3 0.423800 1.0079 0 - 13162 H2O 3716 H2O O1 4 -0.847600 15.9994 0 - 13163 H2O 3716 H2O H1 3 0.423800 1.0079 0 - 13164 H2O 3716 H2O H2 3 0.423800 1.0079 0 - 13165 H2O 3717 H2O O1 4 -0.847600 15.9994 0 - 13166 H2O 3717 H2O H1 3 0.423800 1.0079 0 - 13167 H2O 3717 H2O H2 3 0.423800 1.0079 0 - 13168 H2O 3718 H2O O1 4 -0.847600 15.9994 0 - 13169 H2O 3718 H2O H1 3 0.423800 1.0079 0 - 13170 H2O 3718 H2O H2 3 0.423800 1.0079 0 - 13171 H2O 3719 H2O O1 4 -0.847600 15.9994 0 - 13172 H2O 3719 H2O H1 3 0.423800 1.0079 0 - 13173 H2O 3719 H2O H2 3 0.423800 1.0079 0 - 13174 H2O 3720 H2O O1 4 -0.847600 15.9994 0 - 13175 H2O 3720 H2O H1 3 0.423800 1.0079 0 - 13176 H2O 3720 H2O H2 3 0.423800 1.0079 0 - 13177 H2O 3721 H2O O1 4 -0.847600 15.9994 0 - 13178 H2O 3721 H2O H1 3 0.423800 1.0079 0 - 13179 H2O 3721 H2O H2 3 0.423800 1.0079 0 - 13180 H2O 3722 H2O O1 4 -0.847600 15.9994 0 - 13181 H2O 3722 H2O H1 3 0.423800 1.0079 0 - 13182 H2O 3722 H2O H2 3 0.423800 1.0079 0 - 13183 H2O 3723 H2O O1 4 -0.847600 15.9994 0 - 13184 H2O 3723 H2O H1 3 0.423800 1.0079 0 - 13185 H2O 3723 H2O H2 3 0.423800 1.0079 0 - 13186 H2O 3724 H2O O1 4 -0.847600 15.9994 0 - 13187 H2O 3724 H2O H1 3 0.423800 1.0079 0 - 13188 H2O 3724 H2O H2 3 0.423800 1.0079 0 - 13189 H2O 3725 H2O O1 4 -0.847600 15.9994 0 - 13190 H2O 3725 H2O H1 3 0.423800 1.0079 0 - 13191 H2O 3725 H2O H2 3 0.423800 1.0079 0 - 13192 H2O 3726 H2O O1 4 -0.847600 15.9994 0 - 13193 H2O 3726 H2O H1 3 0.423800 1.0079 0 - 13194 H2O 3726 H2O H2 3 0.423800 1.0079 0 - 13195 H2O 3727 H2O O1 4 -0.847600 15.9994 0 - 13196 H2O 3727 H2O H1 3 0.423800 1.0079 0 - 13197 H2O 3727 H2O H2 3 0.423800 1.0079 0 - 13198 H2O 3728 H2O O1 4 -0.847600 15.9994 0 - 13199 H2O 3728 H2O H1 3 0.423800 1.0079 0 - 13200 H2O 3728 H2O H2 3 0.423800 1.0079 0 - 13201 H2O 3729 H2O O1 4 -0.847600 15.9994 0 - 13202 H2O 3729 H2O H1 3 0.423800 1.0079 0 - 13203 H2O 3729 H2O H2 3 0.423800 1.0079 0 - 13204 H2O 3730 H2O O1 4 -0.847600 15.9994 0 - 13205 H2O 3730 H2O H1 3 0.423800 1.0079 0 - 13206 H2O 3730 H2O H2 3 0.423800 1.0079 0 - 13207 H2O 3731 H2O O1 4 -0.847600 15.9994 0 - 13208 H2O 3731 H2O H1 3 0.423800 1.0079 0 - 13209 H2O 3731 H2O H2 3 0.423800 1.0079 0 - 13210 H2O 3732 H2O O1 4 -0.847600 15.9994 0 - 13211 H2O 3732 H2O H1 3 0.423800 1.0079 0 - 13212 H2O 3732 H2O H2 3 0.423800 1.0079 0 - 13213 H2O 3733 H2O O1 4 -0.847600 15.9994 0 - 13214 H2O 3733 H2O H1 3 0.423800 1.0079 0 - 13215 H2O 3733 H2O H2 3 0.423800 1.0079 0 - 13216 H2O 3734 H2O O1 4 -0.847600 15.9994 0 - 13217 H2O 3734 H2O H1 3 0.423800 1.0079 0 - 13218 H2O 3734 H2O H2 3 0.423800 1.0079 0 - 13219 H2O 3735 H2O O1 4 -0.847600 15.9994 0 - 13220 H2O 3735 H2O H1 3 0.423800 1.0079 0 - 13221 H2O 3735 H2O H2 3 0.423800 1.0079 0 - 13222 H2O 3736 H2O O1 4 -0.847600 15.9994 0 - 13223 H2O 3736 H2O H1 3 0.423800 1.0079 0 - 13224 H2O 3736 H2O H2 3 0.423800 1.0079 0 - 13225 H2O 3737 H2O O1 4 -0.847600 15.9994 0 - 13226 H2O 3737 H2O H1 3 0.423800 1.0079 0 - 13227 H2O 3737 H2O H2 3 0.423800 1.0079 0 - 13228 H2O 3738 H2O O1 4 -0.847600 15.9994 0 - 13229 H2O 3738 H2O H1 3 0.423800 1.0079 0 - 13230 H2O 3738 H2O H2 3 0.423800 1.0079 0 - 13231 H2O 3739 H2O O1 4 -0.847600 15.9994 0 - 13232 H2O 3739 H2O H1 3 0.423800 1.0079 0 - 13233 H2O 3739 H2O H2 3 0.423800 1.0079 0 - 13234 H2O 3740 H2O O1 4 -0.847600 15.9994 0 - 13235 H2O 3740 H2O H1 3 0.423800 1.0079 0 - 13236 H2O 3740 H2O H2 3 0.423800 1.0079 0 - 13237 H2O 3741 H2O O1 4 -0.847600 15.9994 0 - 13238 H2O 3741 H2O H1 3 0.423800 1.0079 0 - 13239 H2O 3741 H2O H2 3 0.423800 1.0079 0 - 13240 H2O 3742 H2O O1 4 -0.847600 15.9994 0 - 13241 H2O 3742 H2O H1 3 0.423800 1.0079 0 - 13242 H2O 3742 H2O H2 3 0.423800 1.0079 0 - 13243 H2O 3743 H2O O1 4 -0.847600 15.9994 0 - 13244 H2O 3743 H2O H1 3 0.423800 1.0079 0 - 13245 H2O 3743 H2O H2 3 0.423800 1.0079 0 - 13246 H2O 3744 H2O O1 4 -0.847600 15.9994 0 - 13247 H2O 3744 H2O H1 3 0.423800 1.0079 0 - 13248 H2O 3744 H2O H2 3 0.423800 1.0079 0 - 13249 H2O 3745 H2O O1 4 -0.847600 15.9994 0 - 13250 H2O 3745 H2O H1 3 0.423800 1.0079 0 - 13251 H2O 3745 H2O H2 3 0.423800 1.0079 0 - 13252 H2O 3746 H2O O1 4 -0.847600 15.9994 0 - 13253 H2O 3746 H2O H1 3 0.423800 1.0079 0 - 13254 H2O 3746 H2O H2 3 0.423800 1.0079 0 - 13255 H2O 3747 H2O O1 4 -0.847600 15.9994 0 - 13256 H2O 3747 H2O H1 3 0.423800 1.0079 0 - 13257 H2O 3747 H2O H2 3 0.423800 1.0079 0 - 13258 H2O 3748 H2O O1 4 -0.847600 15.9994 0 - 13259 H2O 3748 H2O H1 3 0.423800 1.0079 0 - 13260 H2O 3748 H2O H2 3 0.423800 1.0079 0 - 13261 H2O 3749 H2O O1 4 -0.847600 15.9994 0 - 13262 H2O 3749 H2O H1 3 0.423800 1.0079 0 - 13263 H2O 3749 H2O H2 3 0.423800 1.0079 0 - 13264 H2O 3750 H2O O1 4 -0.847600 15.9994 0 - 13265 H2O 3750 H2O H1 3 0.423800 1.0079 0 - 13266 H2O 3750 H2O H2 3 0.423800 1.0079 0 - 13267 H2O 3751 H2O O1 4 -0.847600 15.9994 0 - 13268 H2O 3751 H2O H1 3 0.423800 1.0079 0 - 13269 H2O 3751 H2O H2 3 0.423800 1.0079 0 - 13270 H2O 3752 H2O O1 4 -0.847600 15.9994 0 - 13271 H2O 3752 H2O H1 3 0.423800 1.0079 0 - 13272 H2O 3752 H2O H2 3 0.423800 1.0079 0 - 13273 H2O 3753 H2O O1 4 -0.847600 15.9994 0 - 13274 H2O 3753 H2O H1 3 0.423800 1.0079 0 - 13275 H2O 3753 H2O H2 3 0.423800 1.0079 0 - 13276 H2O 3754 H2O O1 4 -0.847600 15.9994 0 - 13277 H2O 3754 H2O H1 3 0.423800 1.0079 0 - 13278 H2O 3754 H2O H2 3 0.423800 1.0079 0 - 13279 H2O 3755 H2O O1 4 -0.847600 15.9994 0 - 13280 H2O 3755 H2O H1 3 0.423800 1.0079 0 - 13281 H2O 3755 H2O H2 3 0.423800 1.0079 0 - 13282 H2O 3756 H2O O1 4 -0.847600 15.9994 0 - 13283 H2O 3756 H2O H1 3 0.423800 1.0079 0 - 13284 H2O 3756 H2O H2 3 0.423800 1.0079 0 - 13285 H2O 3757 H2O O1 4 -0.847600 15.9994 0 - 13286 H2O 3757 H2O H1 3 0.423800 1.0079 0 - 13287 H2O 3757 H2O H2 3 0.423800 1.0079 0 - 13288 H2O 3758 H2O O1 4 -0.847600 15.9994 0 - 13289 H2O 3758 H2O H1 3 0.423800 1.0079 0 - 13290 H2O 3758 H2O H2 3 0.423800 1.0079 0 - 13291 H2O 3759 H2O O1 4 -0.847600 15.9994 0 - 13292 H2O 3759 H2O H1 3 0.423800 1.0079 0 - 13293 H2O 3759 H2O H2 3 0.423800 1.0079 0 - 13294 H2O 3760 H2O O1 4 -0.847600 15.9994 0 - 13295 H2O 3760 H2O H1 3 0.423800 1.0079 0 - 13296 H2O 3760 H2O H2 3 0.423800 1.0079 0 - 13297 H2O 3761 H2O O1 4 -0.847600 15.9994 0 - 13298 H2O 3761 H2O H1 3 0.423800 1.0079 0 - 13299 H2O 3761 H2O H2 3 0.423800 1.0079 0 - 13300 H2O 3762 H2O O1 4 -0.847600 15.9994 0 - 13301 H2O 3762 H2O H1 3 0.423800 1.0079 0 - 13302 H2O 3762 H2O H2 3 0.423800 1.0079 0 - 13303 H2O 3763 H2O O1 4 -0.847600 15.9994 0 - 13304 H2O 3763 H2O H1 3 0.423800 1.0079 0 - 13305 H2O 3763 H2O H2 3 0.423800 1.0079 0 - 13306 H2O 3764 H2O O1 4 -0.847600 15.9994 0 - 13307 H2O 3764 H2O H1 3 0.423800 1.0079 0 - 13308 H2O 3764 H2O H2 3 0.423800 1.0079 0 - 13309 H2O 3765 H2O O1 4 -0.847600 15.9994 0 - 13310 H2O 3765 H2O H1 3 0.423800 1.0079 0 - 13311 H2O 3765 H2O H2 3 0.423800 1.0079 0 - 13312 H2O 3766 H2O O1 4 -0.847600 15.9994 0 - 13313 H2O 3766 H2O H1 3 0.423800 1.0079 0 - 13314 H2O 3766 H2O H2 3 0.423800 1.0079 0 - 13315 H2O 3767 H2O O1 4 -0.847600 15.9994 0 - 13316 H2O 3767 H2O H1 3 0.423800 1.0079 0 - 13317 H2O 3767 H2O H2 3 0.423800 1.0079 0 - 13318 H2O 3768 H2O O1 4 -0.847600 15.9994 0 - 13319 H2O 3768 H2O H1 3 0.423800 1.0079 0 - 13320 H2O 3768 H2O H2 3 0.423800 1.0079 0 - 13321 H2O 3769 H2O O1 4 -0.847600 15.9994 0 - 13322 H2O 3769 H2O H1 3 0.423800 1.0079 0 - 13323 H2O 3769 H2O H2 3 0.423800 1.0079 0 - 13324 H2O 3770 H2O O1 4 -0.847600 15.9994 0 - 13325 H2O 3770 H2O H1 3 0.423800 1.0079 0 - 13326 H2O 3770 H2O H2 3 0.423800 1.0079 0 - 13327 H2O 3771 H2O O1 4 -0.847600 15.9994 0 - 13328 H2O 3771 H2O H1 3 0.423800 1.0079 0 - 13329 H2O 3771 H2O H2 3 0.423800 1.0079 0 - 13330 H2O 3772 H2O O1 4 -0.847600 15.9994 0 - 13331 H2O 3772 H2O H1 3 0.423800 1.0079 0 - 13332 H2O 3772 H2O H2 3 0.423800 1.0079 0 - 13333 H2O 3773 H2O O1 4 -0.847600 15.9994 0 - 13334 H2O 3773 H2O H1 3 0.423800 1.0079 0 - 13335 H2O 3773 H2O H2 3 0.423800 1.0079 0 - 13336 H2O 3774 H2O O1 4 -0.847600 15.9994 0 - 13337 H2O 3774 H2O H1 3 0.423800 1.0079 0 - 13338 H2O 3774 H2O H2 3 0.423800 1.0079 0 - 13339 H2O 3775 H2O O1 4 -0.847600 15.9994 0 - 13340 H2O 3775 H2O H1 3 0.423800 1.0079 0 - 13341 H2O 3775 H2O H2 3 0.423800 1.0079 0 - 13342 H2O 3776 H2O O1 4 -0.847600 15.9994 0 - 13343 H2O 3776 H2O H1 3 0.423800 1.0079 0 - 13344 H2O 3776 H2O H2 3 0.423800 1.0079 0 - 13345 H2O 3777 H2O O1 4 -0.847600 15.9994 0 - 13346 H2O 3777 H2O H1 3 0.423800 1.0079 0 - 13347 H2O 3777 H2O H2 3 0.423800 1.0079 0 - 13348 H2O 3778 H2O O1 4 -0.847600 15.9994 0 - 13349 H2O 3778 H2O H1 3 0.423800 1.0079 0 - 13350 H2O 3778 H2O H2 3 0.423800 1.0079 0 - 13351 H2O 3779 H2O O1 4 -0.847600 15.9994 0 - 13352 H2O 3779 H2O H1 3 0.423800 1.0079 0 - 13353 H2O 3779 H2O H2 3 0.423800 1.0079 0 - 13354 H2O 3780 H2O O1 4 -0.847600 15.9994 0 - 13355 H2O 3780 H2O H1 3 0.423800 1.0079 0 - 13356 H2O 3780 H2O H2 3 0.423800 1.0079 0 - 13357 H2O 3781 H2O O1 4 -0.847600 15.9994 0 - 13358 H2O 3781 H2O H1 3 0.423800 1.0079 0 - 13359 H2O 3781 H2O H2 3 0.423800 1.0079 0 - 13360 H2O 3782 H2O O1 4 -0.847600 15.9994 0 - 13361 H2O 3782 H2O H1 3 0.423800 1.0079 0 - 13362 H2O 3782 H2O H2 3 0.423800 1.0079 0 - 13363 H2O 3783 H2O O1 4 -0.847600 15.9994 0 - 13364 H2O 3783 H2O H1 3 0.423800 1.0079 0 - 13365 H2O 3783 H2O H2 3 0.423800 1.0079 0 - 13366 H2O 3784 H2O O1 4 -0.847600 15.9994 0 - 13367 H2O 3784 H2O H1 3 0.423800 1.0079 0 - 13368 H2O 3784 H2O H2 3 0.423800 1.0079 0 - 13369 H2O 3785 H2O O1 4 -0.847600 15.9994 0 - 13370 H2O 3785 H2O H1 3 0.423800 1.0079 0 - 13371 H2O 3785 H2O H2 3 0.423800 1.0079 0 - 13372 H2O 3786 H2O O1 4 -0.847600 15.9994 0 - 13373 H2O 3786 H2O H1 3 0.423800 1.0079 0 - 13374 H2O 3786 H2O H2 3 0.423800 1.0079 0 - 13375 H2O 3787 H2O O1 4 -0.847600 15.9994 0 - 13376 H2O 3787 H2O H1 3 0.423800 1.0079 0 - 13377 H2O 3787 H2O H2 3 0.423800 1.0079 0 - 13378 H2O 3788 H2O O1 4 -0.847600 15.9994 0 - 13379 H2O 3788 H2O H1 3 0.423800 1.0079 0 - 13380 H2O 3788 H2O H2 3 0.423800 1.0079 0 - 13381 H2O 3789 H2O O1 4 -0.847600 15.9994 0 - 13382 H2O 3789 H2O H1 3 0.423800 1.0079 0 - 13383 H2O 3789 H2O H2 3 0.423800 1.0079 0 - 13384 H2O 3790 H2O O1 4 -0.847600 15.9994 0 - 13385 H2O 3790 H2O H1 3 0.423800 1.0079 0 - 13386 H2O 3790 H2O H2 3 0.423800 1.0079 0 - 13387 H2O 3791 H2O O1 4 -0.847600 15.9994 0 - 13388 H2O 3791 H2O H1 3 0.423800 1.0079 0 - 13389 H2O 3791 H2O H2 3 0.423800 1.0079 0 - 13390 H2O 3792 H2O O1 4 -0.847600 15.9994 0 - 13391 H2O 3792 H2O H1 3 0.423800 1.0079 0 - 13392 H2O 3792 H2O H2 3 0.423800 1.0079 0 - 13393 H2O 3793 H2O O1 4 -0.847600 15.9994 0 - 13394 H2O 3793 H2O H1 3 0.423800 1.0079 0 - 13395 H2O 3793 H2O H2 3 0.423800 1.0079 0 - 13396 H2O 3794 H2O O1 4 -0.847600 15.9994 0 - 13397 H2O 3794 H2O H1 3 0.423800 1.0079 0 - 13398 H2O 3794 H2O H2 3 0.423800 1.0079 0 - 13399 H2O 3795 H2O O1 4 -0.847600 15.9994 0 - 13400 H2O 3795 H2O H1 3 0.423800 1.0079 0 - 13401 H2O 3795 H2O H2 3 0.423800 1.0079 0 - 13402 H2O 3796 H2O O1 4 -0.847600 15.9994 0 - 13403 H2O 3796 H2O H1 3 0.423800 1.0079 0 - 13404 H2O 3796 H2O H2 3 0.423800 1.0079 0 - 13405 H2O 3797 H2O O1 4 -0.847600 15.9994 0 - 13406 H2O 3797 H2O H1 3 0.423800 1.0079 0 - 13407 H2O 3797 H2O H2 3 0.423800 1.0079 0 - 13408 H2O 3798 H2O O1 4 -0.847600 15.9994 0 - 13409 H2O 3798 H2O H1 3 0.423800 1.0079 0 - 13410 H2O 3798 H2O H2 3 0.423800 1.0079 0 - 13411 H2O 3799 H2O O1 4 -0.847600 15.9994 0 - 13412 H2O 3799 H2O H1 3 0.423800 1.0079 0 - 13413 H2O 3799 H2O H2 3 0.423800 1.0079 0 - 13414 H2O 3800 H2O O1 4 -0.847600 15.9994 0 - 13415 H2O 3800 H2O H1 3 0.423800 1.0079 0 - 13416 H2O 3800 H2O H2 3 0.423800 1.0079 0 - 13417 H2O 3801 H2O O1 4 -0.847600 15.9994 0 - 13418 H2O 3801 H2O H1 3 0.423800 1.0079 0 - 13419 H2O 3801 H2O H2 3 0.423800 1.0079 0 - 13420 H2O 3802 H2O O1 4 -0.847600 15.9994 0 - 13421 H2O 3802 H2O H1 3 0.423800 1.0079 0 - 13422 H2O 3802 H2O H2 3 0.423800 1.0079 0 - 13423 H2O 3803 H2O O1 4 -0.847600 15.9994 0 - 13424 H2O 3803 H2O H1 3 0.423800 1.0079 0 - 13425 H2O 3803 H2O H2 3 0.423800 1.0079 0 - 13426 H2O 3804 H2O O1 4 -0.847600 15.9994 0 - 13427 H2O 3804 H2O H1 3 0.423800 1.0079 0 - 13428 H2O 3804 H2O H2 3 0.423800 1.0079 0 - 13429 H2O 3805 H2O O1 4 -0.847600 15.9994 0 - 13430 H2O 3805 H2O H1 3 0.423800 1.0079 0 - 13431 H2O 3805 H2O H2 3 0.423800 1.0079 0 - 13432 H2O 3806 H2O O1 4 -0.847600 15.9994 0 - 13433 H2O 3806 H2O H1 3 0.423800 1.0079 0 - 13434 H2O 3806 H2O H2 3 0.423800 1.0079 0 - 13435 H2O 3807 H2O O1 4 -0.847600 15.9994 0 - 13436 H2O 3807 H2O H1 3 0.423800 1.0079 0 - 13437 H2O 3807 H2O H2 3 0.423800 1.0079 0 - 13438 H2O 3808 H2O O1 4 -0.847600 15.9994 0 - 13439 H2O 3808 H2O H1 3 0.423800 1.0079 0 - 13440 H2O 3808 H2O H2 3 0.423800 1.0079 0 - 13441 H2O 3809 H2O O1 4 -0.847600 15.9994 0 - 13442 H2O 3809 H2O H1 3 0.423800 1.0079 0 - 13443 H2O 3809 H2O H2 3 0.423800 1.0079 0 - 13444 H2O 3810 H2O O1 4 -0.847600 15.9994 0 - 13445 H2O 3810 H2O H1 3 0.423800 1.0079 0 - 13446 H2O 3810 H2O H2 3 0.423800 1.0079 0 - 13447 H2O 3811 H2O O1 4 -0.847600 15.9994 0 - 13448 H2O 3811 H2O H1 3 0.423800 1.0079 0 - 13449 H2O 3811 H2O H2 3 0.423800 1.0079 0 - 13450 H2O 3812 H2O O1 4 -0.847600 15.9994 0 - 13451 H2O 3812 H2O H1 3 0.423800 1.0079 0 - 13452 H2O 3812 H2O H2 3 0.423800 1.0079 0 - 13453 H2O 3813 H2O O1 4 -0.847600 15.9994 0 - 13454 H2O 3813 H2O H1 3 0.423800 1.0079 0 - 13455 H2O 3813 H2O H2 3 0.423800 1.0079 0 - 13456 H2O 3814 H2O O1 4 -0.847600 15.9994 0 - 13457 H2O 3814 H2O H1 3 0.423800 1.0079 0 - 13458 H2O 3814 H2O H2 3 0.423800 1.0079 0 - 13459 H2O 3815 H2O O1 4 -0.847600 15.9994 0 - 13460 H2O 3815 H2O H1 3 0.423800 1.0079 0 - 13461 H2O 3815 H2O H2 3 0.423800 1.0079 0 - 13462 H2O 3816 H2O O1 4 -0.847600 15.9994 0 - 13463 H2O 3816 H2O H1 3 0.423800 1.0079 0 - 13464 H2O 3816 H2O H2 3 0.423800 1.0079 0 - 13465 H2O 3817 H2O O1 4 -0.847600 15.9994 0 - 13466 H2O 3817 H2O H1 3 0.423800 1.0079 0 - 13467 H2O 3817 H2O H2 3 0.423800 1.0079 0 - 13468 H2O 3818 H2O O1 4 -0.847600 15.9994 0 - 13469 H2O 3818 H2O H1 3 0.423800 1.0079 0 - 13470 H2O 3818 H2O H2 3 0.423800 1.0079 0 - 13471 H2O 3819 H2O O1 4 -0.847600 15.9994 0 - 13472 H2O 3819 H2O H1 3 0.423800 1.0079 0 - 13473 H2O 3819 H2O H2 3 0.423800 1.0079 0 - 13474 H2O 3820 H2O O1 4 -0.847600 15.9994 0 - 13475 H2O 3820 H2O H1 3 0.423800 1.0079 0 - 13476 H2O 3820 H2O H2 3 0.423800 1.0079 0 - 13477 H2O 3821 H2O O1 4 -0.847600 15.9994 0 - 13478 H2O 3821 H2O H1 3 0.423800 1.0079 0 - 13479 H2O 3821 H2O H2 3 0.423800 1.0079 0 - 13480 H2O 3822 H2O O1 4 -0.847600 15.9994 0 - 13481 H2O 3822 H2O H1 3 0.423800 1.0079 0 - 13482 H2O 3822 H2O H2 3 0.423800 1.0079 0 - 13483 H2O 3823 H2O O1 4 -0.847600 15.9994 0 - 13484 H2O 3823 H2O H1 3 0.423800 1.0079 0 - 13485 H2O 3823 H2O H2 3 0.423800 1.0079 0 - 13486 H2O 3824 H2O O1 4 -0.847600 15.9994 0 - 13487 H2O 3824 H2O H1 3 0.423800 1.0079 0 - 13488 H2O 3824 H2O H2 3 0.423800 1.0079 0 - 13489 H2O 3825 H2O O1 4 -0.847600 15.9994 0 - 13490 H2O 3825 H2O H1 3 0.423800 1.0079 0 - 13491 H2O 3825 H2O H2 3 0.423800 1.0079 0 - 13492 H2O 3826 H2O O1 4 -0.847600 15.9994 0 - 13493 H2O 3826 H2O H1 3 0.423800 1.0079 0 - 13494 H2O 3826 H2O H2 3 0.423800 1.0079 0 - 13495 H2O 3827 H2O O1 4 -0.847600 15.9994 0 - 13496 H2O 3827 H2O H1 3 0.423800 1.0079 0 - 13497 H2O 3827 H2O H2 3 0.423800 1.0079 0 - 13498 H2O 3828 H2O O1 4 -0.847600 15.9994 0 - 13499 H2O 3828 H2O H1 3 0.423800 1.0079 0 - 13500 H2O 3828 H2O H2 3 0.423800 1.0079 0 - 13501 H2O 3829 H2O O1 4 -0.847600 15.9994 0 - 13502 H2O 3829 H2O H1 3 0.423800 1.0079 0 - 13503 H2O 3829 H2O H2 3 0.423800 1.0079 0 - 13504 H2O 3830 H2O O1 4 -0.847600 15.9994 0 - 13505 H2O 3830 H2O H1 3 0.423800 1.0079 0 - 13506 H2O 3830 H2O H2 3 0.423800 1.0079 0 - 13507 H2O 3831 H2O O1 4 -0.847600 15.9994 0 - 13508 H2O 3831 H2O H1 3 0.423800 1.0079 0 - 13509 H2O 3831 H2O H2 3 0.423800 1.0079 0 - 13510 H2O 3832 H2O O1 4 -0.847600 15.9994 0 - 13511 H2O 3832 H2O H1 3 0.423800 1.0079 0 - 13512 H2O 3832 H2O H2 3 0.423800 1.0079 0 - 13513 H2O 3833 H2O O1 4 -0.847600 15.9994 0 - 13514 H2O 3833 H2O H1 3 0.423800 1.0079 0 - 13515 H2O 3833 H2O H2 3 0.423800 1.0079 0 - 13516 H2O 3834 H2O O1 4 -0.847600 15.9994 0 - 13517 H2O 3834 H2O H1 3 0.423800 1.0079 0 - 13518 H2O 3834 H2O H2 3 0.423800 1.0079 0 - 13519 H2O 3835 H2O O1 4 -0.847600 15.9994 0 - 13520 H2O 3835 H2O H1 3 0.423800 1.0079 0 - 13521 H2O 3835 H2O H2 3 0.423800 1.0079 0 - 13522 H2O 3836 H2O O1 4 -0.847600 15.9994 0 - 13523 H2O 3836 H2O H1 3 0.423800 1.0079 0 - 13524 H2O 3836 H2O H2 3 0.423800 1.0079 0 - 13525 H2O 3837 H2O O1 4 -0.847600 15.9994 0 - 13526 H2O 3837 H2O H1 3 0.423800 1.0079 0 - 13527 H2O 3837 H2O H2 3 0.423800 1.0079 0 - 13528 H2O 3838 H2O O1 4 -0.847600 15.9994 0 - 13529 H2O 3838 H2O H1 3 0.423800 1.0079 0 - 13530 H2O 3838 H2O H2 3 0.423800 1.0079 0 - 13531 H2O 3839 H2O O1 4 -0.847600 15.9994 0 - 13532 H2O 3839 H2O H1 3 0.423800 1.0079 0 - 13533 H2O 3839 H2O H2 3 0.423800 1.0079 0 - 13534 H2O 3840 H2O O1 4 -0.847600 15.9994 0 - 13535 H2O 3840 H2O H1 3 0.423800 1.0079 0 - 13536 H2O 3840 H2O H2 3 0.423800 1.0079 0 - 13537 H2O 3841 H2O O1 4 -0.847600 15.9994 0 - 13538 H2O 3841 H2O H1 3 0.423800 1.0079 0 - 13539 H2O 3841 H2O H2 3 0.423800 1.0079 0 - 13540 H2O 3842 H2O O1 4 -0.847600 15.9994 0 - 13541 H2O 3842 H2O H1 3 0.423800 1.0079 0 - 13542 H2O 3842 H2O H2 3 0.423800 1.0079 0 - 13543 H2O 3843 H2O O1 4 -0.847600 15.9994 0 - 13544 H2O 3843 H2O H1 3 0.423800 1.0079 0 - 13545 H2O 3843 H2O H2 3 0.423800 1.0079 0 - 13546 H2O 3844 H2O O1 4 -0.847600 15.9994 0 - 13547 H2O 3844 H2O H1 3 0.423800 1.0079 0 - 13548 H2O 3844 H2O H2 3 0.423800 1.0079 0 - 13549 H2O 3845 H2O O1 4 -0.847600 15.9994 0 - 13550 H2O 3845 H2O H1 3 0.423800 1.0079 0 - 13551 H2O 3845 H2O H2 3 0.423800 1.0079 0 - 13552 H2O 3846 H2O O1 4 -0.847600 15.9994 0 - 13553 H2O 3846 H2O H1 3 0.423800 1.0079 0 - 13554 H2O 3846 H2O H2 3 0.423800 1.0079 0 - 13555 H2O 3847 H2O O1 4 -0.847600 15.9994 0 - 13556 H2O 3847 H2O H1 3 0.423800 1.0079 0 - 13557 H2O 3847 H2O H2 3 0.423800 1.0079 0 - 13558 H2O 3848 H2O O1 4 -0.847600 15.9994 0 - 13559 H2O 3848 H2O H1 3 0.423800 1.0079 0 - 13560 H2O 3848 H2O H2 3 0.423800 1.0079 0 - 13561 H2O 3849 H2O O1 4 -0.847600 15.9994 0 - 13562 H2O 3849 H2O H1 3 0.423800 1.0079 0 - 13563 H2O 3849 H2O H2 3 0.423800 1.0079 0 - 13564 H2O 3850 H2O O1 4 -0.847600 15.9994 0 - 13565 H2O 3850 H2O H1 3 0.423800 1.0079 0 - 13566 H2O 3850 H2O H2 3 0.423800 1.0079 0 - 13567 H2O 3851 H2O O1 4 -0.847600 15.9994 0 - 13568 H2O 3851 H2O H1 3 0.423800 1.0079 0 - 13569 H2O 3851 H2O H2 3 0.423800 1.0079 0 - 13570 H2O 3852 H2O O1 4 -0.847600 15.9994 0 - 13571 H2O 3852 H2O H1 3 0.423800 1.0079 0 - 13572 H2O 3852 H2O H2 3 0.423800 1.0079 0 - 13573 H2O 3853 H2O O1 4 -0.847600 15.9994 0 - 13574 H2O 3853 H2O H1 3 0.423800 1.0079 0 - 13575 H2O 3853 H2O H2 3 0.423800 1.0079 0 - 13576 H2O 3854 H2O O1 4 -0.847600 15.9994 0 - 13577 H2O 3854 H2O H1 3 0.423800 1.0079 0 - 13578 H2O 3854 H2O H2 3 0.423800 1.0079 0 - 13579 H2O 3855 H2O O1 4 -0.847600 15.9994 0 - 13580 H2O 3855 H2O H1 3 0.423800 1.0079 0 - 13581 H2O 3855 H2O H2 3 0.423800 1.0079 0 - 13582 H2O 3856 H2O O1 4 -0.847600 15.9994 0 - 13583 H2O 3856 H2O H1 3 0.423800 1.0079 0 - 13584 H2O 3856 H2O H2 3 0.423800 1.0079 0 - 13585 H2O 3857 H2O O1 4 -0.847600 15.9994 0 - 13586 H2O 3857 H2O H1 3 0.423800 1.0079 0 - 13587 H2O 3857 H2O H2 3 0.423800 1.0079 0 - 13588 H2O 3858 H2O O1 4 -0.847600 15.9994 0 - 13589 H2O 3858 H2O H1 3 0.423800 1.0079 0 - 13590 H2O 3858 H2O H2 3 0.423800 1.0079 0 - 13591 H2O 3859 H2O O1 4 -0.847600 15.9994 0 - 13592 H2O 3859 H2O H1 3 0.423800 1.0079 0 - 13593 H2O 3859 H2O H2 3 0.423800 1.0079 0 - 13594 H2O 3860 H2O O1 4 -0.847600 15.9994 0 - 13595 H2O 3860 H2O H1 3 0.423800 1.0079 0 - 13596 H2O 3860 H2O H2 3 0.423800 1.0079 0 - 13597 H2O 3861 H2O O1 4 -0.847600 15.9994 0 - 13598 H2O 3861 H2O H1 3 0.423800 1.0079 0 - 13599 H2O 3861 H2O H2 3 0.423800 1.0079 0 - 13600 H2O 3862 H2O O1 4 -0.847600 15.9994 0 - 13601 H2O 3862 H2O H1 3 0.423800 1.0079 0 - 13602 H2O 3862 H2O H2 3 0.423800 1.0079 0 - 13603 H2O 3863 H2O O1 4 -0.847600 15.9994 0 - 13604 H2O 3863 H2O H1 3 0.423800 1.0079 0 - 13605 H2O 3863 H2O H2 3 0.423800 1.0079 0 - 13606 H2O 3864 H2O O1 4 -0.847600 15.9994 0 - 13607 H2O 3864 H2O H1 3 0.423800 1.0079 0 - 13608 H2O 3864 H2O H2 3 0.423800 1.0079 0 - 13609 H2O 3865 H2O O1 4 -0.847600 15.9994 0 - 13610 H2O 3865 H2O H1 3 0.423800 1.0079 0 - 13611 H2O 3865 H2O H2 3 0.423800 1.0079 0 - 13612 H2O 3866 H2O O1 4 -0.847600 15.9994 0 - 13613 H2O 3866 H2O H1 3 0.423800 1.0079 0 - 13614 H2O 3866 H2O H2 3 0.423800 1.0079 0 - 13615 H2O 3867 H2O O1 4 -0.847600 15.9994 0 - 13616 H2O 3867 H2O H1 3 0.423800 1.0079 0 - 13617 H2O 3867 H2O H2 3 0.423800 1.0079 0 - 13618 H2O 3868 H2O O1 4 -0.847600 15.9994 0 - 13619 H2O 3868 H2O H1 3 0.423800 1.0079 0 - 13620 H2O 3868 H2O H2 3 0.423800 1.0079 0 - 13621 H2O 3869 H2O O1 4 -0.847600 15.9994 0 - 13622 H2O 3869 H2O H1 3 0.423800 1.0079 0 - 13623 H2O 3869 H2O H2 3 0.423800 1.0079 0 - 13624 H2O 3870 H2O O1 4 -0.847600 15.9994 0 - 13625 H2O 3870 H2O H1 3 0.423800 1.0079 0 - 13626 H2O 3870 H2O H2 3 0.423800 1.0079 0 - 13627 H2O 3871 H2O O1 4 -0.847600 15.9994 0 - 13628 H2O 3871 H2O H1 3 0.423800 1.0079 0 - 13629 H2O 3871 H2O H2 3 0.423800 1.0079 0 - 13630 H2O 3872 H2O O1 4 -0.847600 15.9994 0 - 13631 H2O 3872 H2O H1 3 0.423800 1.0079 0 - 13632 H2O 3872 H2O H2 3 0.423800 1.0079 0 - 13633 H2O 3873 H2O O1 4 -0.847600 15.9994 0 - 13634 H2O 3873 H2O H1 3 0.423800 1.0079 0 - 13635 H2O 3873 H2O H2 3 0.423800 1.0079 0 - 13636 H2O 3874 H2O O1 4 -0.847600 15.9994 0 - 13637 H2O 3874 H2O H1 3 0.423800 1.0079 0 - 13638 H2O 3874 H2O H2 3 0.423800 1.0079 0 - 13639 H2O 3875 H2O O1 4 -0.847600 15.9994 0 - 13640 H2O 3875 H2O H1 3 0.423800 1.0079 0 - 13641 H2O 3875 H2O H2 3 0.423800 1.0079 0 - 13642 H2O 3876 H2O O1 4 -0.847600 15.9994 0 - 13643 H2O 3876 H2O H1 3 0.423800 1.0079 0 - 13644 H2O 3876 H2O H2 3 0.423800 1.0079 0 - 13645 H2O 3877 H2O O1 4 -0.847600 15.9994 0 - 13646 H2O 3877 H2O H1 3 0.423800 1.0079 0 - 13647 H2O 3877 H2O H2 3 0.423800 1.0079 0 - 13648 H2O 3878 H2O O1 4 -0.847600 15.9994 0 - 13649 H2O 3878 H2O H1 3 0.423800 1.0079 0 - 13650 H2O 3878 H2O H2 3 0.423800 1.0079 0 - 13651 H2O 3879 H2O O1 4 -0.847600 15.9994 0 - 13652 H2O 3879 H2O H1 3 0.423800 1.0079 0 - 13653 H2O 3879 H2O H2 3 0.423800 1.0079 0 - 13654 H2O 3880 H2O O1 4 -0.847600 15.9994 0 - 13655 H2O 3880 H2O H1 3 0.423800 1.0079 0 - 13656 H2O 3880 H2O H2 3 0.423800 1.0079 0 - 13657 H2O 3881 H2O O1 4 -0.847600 15.9994 0 - 13658 H2O 3881 H2O H1 3 0.423800 1.0079 0 - 13659 H2O 3881 H2O H2 3 0.423800 1.0079 0 - 13660 H2O 3882 H2O O1 4 -0.847600 15.9994 0 - 13661 H2O 3882 H2O H1 3 0.423800 1.0079 0 - 13662 H2O 3882 H2O H2 3 0.423800 1.0079 0 - 13663 H2O 3883 H2O O1 4 -0.847600 15.9994 0 - 13664 H2O 3883 H2O H1 3 0.423800 1.0079 0 - 13665 H2O 3883 H2O H2 3 0.423800 1.0079 0 - 13666 H2O 3884 H2O O1 4 -0.847600 15.9994 0 - 13667 H2O 3884 H2O H1 3 0.423800 1.0079 0 - 13668 H2O 3884 H2O H2 3 0.423800 1.0079 0 - 13669 H2O 3885 H2O O1 4 -0.847600 15.9994 0 - 13670 H2O 3885 H2O H1 3 0.423800 1.0079 0 - 13671 H2O 3885 H2O H2 3 0.423800 1.0079 0 - 13672 H2O 3886 H2O O1 4 -0.847600 15.9994 0 - 13673 H2O 3886 H2O H1 3 0.423800 1.0079 0 - 13674 H2O 3886 H2O H2 3 0.423800 1.0079 0 - 13675 H2O 3887 H2O O1 4 -0.847600 15.9994 0 - 13676 H2O 3887 H2O H1 3 0.423800 1.0079 0 - 13677 H2O 3887 H2O H2 3 0.423800 1.0079 0 - 13678 H2O 3888 H2O O1 4 -0.847600 15.9994 0 - 13679 H2O 3888 H2O H1 3 0.423800 1.0079 0 - 13680 H2O 3888 H2O H2 3 0.423800 1.0079 0 - 13681 H2O 3889 H2O O1 4 -0.847600 15.9994 0 - 13682 H2O 3889 H2O H1 3 0.423800 1.0079 0 - 13683 H2O 3889 H2O H2 3 0.423800 1.0079 0 - 13684 H2O 3890 H2O O1 4 -0.847600 15.9994 0 - 13685 H2O 3890 H2O H1 3 0.423800 1.0079 0 - 13686 H2O 3890 H2O H2 3 0.423800 1.0079 0 - 13687 H2O 3891 H2O O1 4 -0.847600 15.9994 0 - 13688 H2O 3891 H2O H1 3 0.423800 1.0079 0 - 13689 H2O 3891 H2O H2 3 0.423800 1.0079 0 - 13690 H2O 3892 H2O O1 4 -0.847600 15.9994 0 - 13691 H2O 3892 H2O H1 3 0.423800 1.0079 0 - 13692 H2O 3892 H2O H2 3 0.423800 1.0079 0 - 13693 H2O 3893 H2O O1 4 -0.847600 15.9994 0 - 13694 H2O 3893 H2O H1 3 0.423800 1.0079 0 - 13695 H2O 3893 H2O H2 3 0.423800 1.0079 0 - 13696 H2O 3894 H2O O1 4 -0.847600 15.9994 0 - 13697 H2O 3894 H2O H1 3 0.423800 1.0079 0 - 13698 H2O 3894 H2O H2 3 0.423800 1.0079 0 - 13699 H2O 3895 H2O O1 4 -0.847600 15.9994 0 - 13700 H2O 3895 H2O H1 3 0.423800 1.0079 0 - 13701 H2O 3895 H2O H2 3 0.423800 1.0079 0 - 13702 H2O 3896 H2O O1 4 -0.847600 15.9994 0 - 13703 H2O 3896 H2O H1 3 0.423800 1.0079 0 - 13704 H2O 3896 H2O H2 3 0.423800 1.0079 0 - 13705 H2O 3897 H2O O1 4 -0.847600 15.9994 0 - 13706 H2O 3897 H2O H1 3 0.423800 1.0079 0 - 13707 H2O 3897 H2O H2 3 0.423800 1.0079 0 - 13708 H2O 3898 H2O O1 4 -0.847600 15.9994 0 - 13709 H2O 3898 H2O H1 3 0.423800 1.0079 0 - 13710 H2O 3898 H2O H2 3 0.423800 1.0079 0 - 13711 H2O 3899 H2O O1 4 -0.847600 15.9994 0 - 13712 H2O 3899 H2O H1 3 0.423800 1.0079 0 - 13713 H2O 3899 H2O H2 3 0.423800 1.0079 0 - 13714 H2O 3900 H2O O1 4 -0.847600 15.9994 0 - 13715 H2O 3900 H2O H1 3 0.423800 1.0079 0 - 13716 H2O 3900 H2O H2 3 0.423800 1.0079 0 - 13717 H2O 3901 H2O O1 4 -0.847600 15.9994 0 - 13718 H2O 3901 H2O H1 3 0.423800 1.0079 0 - 13719 H2O 3901 H2O H2 3 0.423800 1.0079 0 - 13720 H2O 3902 H2O O1 4 -0.847600 15.9994 0 - 13721 H2O 3902 H2O H1 3 0.423800 1.0079 0 - 13722 H2O 3902 H2O H2 3 0.423800 1.0079 0 - 13723 H2O 3903 H2O O1 4 -0.847600 15.9994 0 - 13724 H2O 3903 H2O H1 3 0.423800 1.0079 0 - 13725 H2O 3903 H2O H2 3 0.423800 1.0079 0 - 13726 H2O 3904 H2O O1 4 -0.847600 15.9994 0 - 13727 H2O 3904 H2O H1 3 0.423800 1.0079 0 - 13728 H2O 3904 H2O H2 3 0.423800 1.0079 0 - 13729 H2O 3905 H2O O1 4 -0.847600 15.9994 0 - 13730 H2O 3905 H2O H1 3 0.423800 1.0079 0 - 13731 H2O 3905 H2O H2 3 0.423800 1.0079 0 - 13732 H2O 3906 H2O O1 4 -0.847600 15.9994 0 - 13733 H2O 3906 H2O H1 3 0.423800 1.0079 0 - 13734 H2O 3906 H2O H2 3 0.423800 1.0079 0 - 13735 H2O 3907 H2O O1 4 -0.847600 15.9994 0 - 13736 H2O 3907 H2O H1 3 0.423800 1.0079 0 - 13737 H2O 3907 H2O H2 3 0.423800 1.0079 0 - 13738 H2O 3908 H2O O1 4 -0.847600 15.9994 0 - 13739 H2O 3908 H2O H1 3 0.423800 1.0079 0 - 13740 H2O 3908 H2O H2 3 0.423800 1.0079 0 - 13741 H2O 3909 H2O O1 4 -0.847600 15.9994 0 - 13742 H2O 3909 H2O H1 3 0.423800 1.0079 0 - 13743 H2O 3909 H2O H2 3 0.423800 1.0079 0 - 13744 H2O 3910 H2O O1 4 -0.847600 15.9994 0 - 13745 H2O 3910 H2O H1 3 0.423800 1.0079 0 - 13746 H2O 3910 H2O H2 3 0.423800 1.0079 0 - 13747 H2O 3911 H2O O1 4 -0.847600 15.9994 0 - 13748 H2O 3911 H2O H1 3 0.423800 1.0079 0 - 13749 H2O 3911 H2O H2 3 0.423800 1.0079 0 - 13750 H2O 3912 H2O O1 4 -0.847600 15.9994 0 - 13751 H2O 3912 H2O H1 3 0.423800 1.0079 0 - 13752 H2O 3912 H2O H2 3 0.423800 1.0079 0 - 13753 H2O 3913 H2O O1 4 -0.847600 15.9994 0 - 13754 H2O 3913 H2O H1 3 0.423800 1.0079 0 - 13755 H2O 3913 H2O H2 3 0.423800 1.0079 0 - 13756 H2O 3914 H2O O1 4 -0.847600 15.9994 0 - 13757 H2O 3914 H2O H1 3 0.423800 1.0079 0 - 13758 H2O 3914 H2O H2 3 0.423800 1.0079 0 - 13759 H2O 3915 H2O O1 4 -0.847600 15.9994 0 - 13760 H2O 3915 H2O H1 3 0.423800 1.0079 0 - 13761 H2O 3915 H2O H2 3 0.423800 1.0079 0 - 13762 H2O 3916 H2O O1 4 -0.847600 15.9994 0 - 13763 H2O 3916 H2O H1 3 0.423800 1.0079 0 - 13764 H2O 3916 H2O H2 3 0.423800 1.0079 0 - 13765 H2O 3917 H2O O1 4 -0.847600 15.9994 0 - 13766 H2O 3917 H2O H1 3 0.423800 1.0079 0 - 13767 H2O 3917 H2O H2 3 0.423800 1.0079 0 - 13768 H2O 3918 H2O O1 4 -0.847600 15.9994 0 - 13769 H2O 3918 H2O H1 3 0.423800 1.0079 0 - 13770 H2O 3918 H2O H2 3 0.423800 1.0079 0 - 13771 H2O 3919 H2O O1 4 -0.847600 15.9994 0 - 13772 H2O 3919 H2O H1 3 0.423800 1.0079 0 - 13773 H2O 3919 H2O H2 3 0.423800 1.0079 0 - 13774 H2O 3920 H2O O1 4 -0.847600 15.9994 0 - 13775 H2O 3920 H2O H1 3 0.423800 1.0079 0 - 13776 H2O 3920 H2O H2 3 0.423800 1.0079 0 - 13777 H2O 3921 H2O O1 4 -0.847600 15.9994 0 - 13778 H2O 3921 H2O H1 3 0.423800 1.0079 0 - 13779 H2O 3921 H2O H2 3 0.423800 1.0079 0 - 13780 H2O 3922 H2O O1 4 -0.847600 15.9994 0 - 13781 H2O 3922 H2O H1 3 0.423800 1.0079 0 - 13782 H2O 3922 H2O H2 3 0.423800 1.0079 0 - 13783 H2O 3923 H2O O1 4 -0.847600 15.9994 0 - 13784 H2O 3923 H2O H1 3 0.423800 1.0079 0 - 13785 H2O 3923 H2O H2 3 0.423800 1.0079 0 - 13786 H2O 3924 H2O O1 4 -0.847600 15.9994 0 - 13787 H2O 3924 H2O H1 3 0.423800 1.0079 0 - 13788 H2O 3924 H2O H2 3 0.423800 1.0079 0 - 13789 H2O 3925 H2O O1 4 -0.847600 15.9994 0 - 13790 H2O 3925 H2O H1 3 0.423800 1.0079 0 - 13791 H2O 3925 H2O H2 3 0.423800 1.0079 0 - 13792 H2O 3926 H2O O1 4 -0.847600 15.9994 0 - 13793 H2O 3926 H2O H1 3 0.423800 1.0079 0 - 13794 H2O 3926 H2O H2 3 0.423800 1.0079 0 - 13795 H2O 3927 H2O O1 4 -0.847600 15.9994 0 - 13796 H2O 3927 H2O H1 3 0.423800 1.0079 0 - 13797 H2O 3927 H2O H2 3 0.423800 1.0079 0 - 13798 H2O 3928 H2O O1 4 -0.847600 15.9994 0 - 13799 H2O 3928 H2O H1 3 0.423800 1.0079 0 - 13800 H2O 3928 H2O H2 3 0.423800 1.0079 0 - 13801 H2O 3929 H2O O1 4 -0.847600 15.9994 0 - 13802 H2O 3929 H2O H1 3 0.423800 1.0079 0 - 13803 H2O 3929 H2O H2 3 0.423800 1.0079 0 - 13804 H2O 3930 H2O O1 4 -0.847600 15.9994 0 - 13805 H2O 3930 H2O H1 3 0.423800 1.0079 0 - 13806 H2O 3930 H2O H2 3 0.423800 1.0079 0 - 13807 H2O 3931 H2O O1 4 -0.847600 15.9994 0 - 13808 H2O 3931 H2O H1 3 0.423800 1.0079 0 - 13809 H2O 3931 H2O H2 3 0.423800 1.0079 0 - 13810 H2O 3932 H2O O1 4 -0.847600 15.9994 0 - 13811 H2O 3932 H2O H1 3 0.423800 1.0079 0 - 13812 H2O 3932 H2O H2 3 0.423800 1.0079 0 - 13813 H2O 3933 H2O O1 4 -0.847600 15.9994 0 - 13814 H2O 3933 H2O H1 3 0.423800 1.0079 0 - 13815 H2O 3933 H2O H2 3 0.423800 1.0079 0 - 13816 H2O 3934 H2O O1 4 -0.847600 15.9994 0 - 13817 H2O 3934 H2O H1 3 0.423800 1.0079 0 - 13818 H2O 3934 H2O H2 3 0.423800 1.0079 0 - 13819 H2O 3935 H2O O1 4 -0.847600 15.9994 0 - 13820 H2O 3935 H2O H1 3 0.423800 1.0079 0 - 13821 H2O 3935 H2O H2 3 0.423800 1.0079 0 - 13822 H2O 3936 H2O O1 4 -0.847600 15.9994 0 - 13823 H2O 3936 H2O H1 3 0.423800 1.0079 0 - 13824 H2O 3936 H2O H2 3 0.423800 1.0079 0 - 13825 H2O 3937 H2O O1 4 -0.847600 15.9994 0 - 13826 H2O 3937 H2O H1 3 0.423800 1.0079 0 - 13827 H2O 3937 H2O H2 3 0.423800 1.0079 0 - 13828 H2O 3938 H2O O1 4 -0.847600 15.9994 0 - 13829 H2O 3938 H2O H1 3 0.423800 1.0079 0 - 13830 H2O 3938 H2O H2 3 0.423800 1.0079 0 - 13831 H2O 3939 H2O O1 4 -0.847600 15.9994 0 - 13832 H2O 3939 H2O H1 3 0.423800 1.0079 0 - 13833 H2O 3939 H2O H2 3 0.423800 1.0079 0 - 13834 H2O 3940 H2O O1 4 -0.847600 15.9994 0 - 13835 H2O 3940 H2O H1 3 0.423800 1.0079 0 - 13836 H2O 3940 H2O H2 3 0.423800 1.0079 0 - 13837 H2O 3941 H2O O1 4 -0.847600 15.9994 0 - 13838 H2O 3941 H2O H1 3 0.423800 1.0079 0 - 13839 H2O 3941 H2O H2 3 0.423800 1.0079 0 - 13840 H2O 3942 H2O O1 4 -0.847600 15.9994 0 - 13841 H2O 3942 H2O H1 3 0.423800 1.0079 0 - 13842 H2O 3942 H2O H2 3 0.423800 1.0079 0 - 13843 H2O 3943 H2O O1 4 -0.847600 15.9994 0 - 13844 H2O 3943 H2O H1 3 0.423800 1.0079 0 - 13845 H2O 3943 H2O H2 3 0.423800 1.0079 0 - 13846 H2O 3944 H2O O1 4 -0.847600 15.9994 0 - 13847 H2O 3944 H2O H1 3 0.423800 1.0079 0 - 13848 H2O 3944 H2O H2 3 0.423800 1.0079 0 - 13849 H2O 3945 H2O O1 4 -0.847600 15.9994 0 - 13850 H2O 3945 H2O H1 3 0.423800 1.0079 0 - 13851 H2O 3945 H2O H2 3 0.423800 1.0079 0 - 13852 H2O 3946 H2O O1 4 -0.847600 15.9994 0 - 13853 H2O 3946 H2O H1 3 0.423800 1.0079 0 - 13854 H2O 3946 H2O H2 3 0.423800 1.0079 0 - 13855 H2O 3947 H2O O1 4 -0.847600 15.9994 0 - 13856 H2O 3947 H2O H1 3 0.423800 1.0079 0 - 13857 H2O 3947 H2O H2 3 0.423800 1.0079 0 - 13858 H2O 3948 H2O O1 4 -0.847600 15.9994 0 - 13859 H2O 3948 H2O H1 3 0.423800 1.0079 0 - 13860 H2O 3948 H2O H2 3 0.423800 1.0079 0 - 13861 H2O 3949 H2O O1 4 -0.847600 15.9994 0 - 13862 H2O 3949 H2O H1 3 0.423800 1.0079 0 - 13863 H2O 3949 H2O H2 3 0.423800 1.0079 0 - 13864 H2O 3950 H2O O1 4 -0.847600 15.9994 0 - 13865 H2O 3950 H2O H1 3 0.423800 1.0079 0 - 13866 H2O 3950 H2O H2 3 0.423800 1.0079 0 - 13867 H2O 3951 H2O O1 4 -0.847600 15.9994 0 - 13868 H2O 3951 H2O H1 3 0.423800 1.0079 0 - 13869 H2O 3951 H2O H2 3 0.423800 1.0079 0 - 13870 H2O 3952 H2O O1 4 -0.847600 15.9994 0 - 13871 H2O 3952 H2O H1 3 0.423800 1.0079 0 - 13872 H2O 3952 H2O H2 3 0.423800 1.0079 0 - 13873 H2O 3953 H2O O1 4 -0.847600 15.9994 0 - 13874 H2O 3953 H2O H1 3 0.423800 1.0079 0 - 13875 H2O 3953 H2O H2 3 0.423800 1.0079 0 - 13876 H2O 3954 H2O O1 4 -0.847600 15.9994 0 - 13877 H2O 3954 H2O H1 3 0.423800 1.0079 0 - 13878 H2O 3954 H2O H2 3 0.423800 1.0079 0 - 13879 H2O 3955 H2O O1 4 -0.847600 15.9994 0 - 13880 H2O 3955 H2O H1 3 0.423800 1.0079 0 - 13881 H2O 3955 H2O H2 3 0.423800 1.0079 0 - 13882 H2O 3956 H2O O1 4 -0.847600 15.9994 0 - 13883 H2O 3956 H2O H1 3 0.423800 1.0079 0 - 13884 H2O 3956 H2O H2 3 0.423800 1.0079 0 - 13885 H2O 3957 H2O O1 4 -0.847600 15.9994 0 - 13886 H2O 3957 H2O H1 3 0.423800 1.0079 0 - 13887 H2O 3957 H2O H2 3 0.423800 1.0079 0 - 13888 H2O 3958 H2O O1 4 -0.847600 15.9994 0 - 13889 H2O 3958 H2O H1 3 0.423800 1.0079 0 - 13890 H2O 3958 H2O H2 3 0.423800 1.0079 0 - 13891 H2O 3959 H2O O1 4 -0.847600 15.9994 0 - 13892 H2O 3959 H2O H1 3 0.423800 1.0079 0 - 13893 H2O 3959 H2O H2 3 0.423800 1.0079 0 - 13894 H2O 3960 H2O O1 4 -0.847600 15.9994 0 - 13895 H2O 3960 H2O H1 3 0.423800 1.0079 0 - 13896 H2O 3960 H2O H2 3 0.423800 1.0079 0 - 13897 H2O 3961 H2O O1 4 -0.847600 15.9994 0 - 13898 H2O 3961 H2O H1 3 0.423800 1.0079 0 - 13899 H2O 3961 H2O H2 3 0.423800 1.0079 0 - 13900 H2O 3962 H2O O1 4 -0.847600 15.9994 0 - 13901 H2O 3962 H2O H1 3 0.423800 1.0079 0 - 13902 H2O 3962 H2O H2 3 0.423800 1.0079 0 - 13903 H2O 3963 H2O O1 4 -0.847600 15.9994 0 - 13904 H2O 3963 H2O H1 3 0.423800 1.0079 0 - 13905 H2O 3963 H2O H2 3 0.423800 1.0079 0 - 13906 H2O 3964 H2O O1 4 -0.847600 15.9994 0 - 13907 H2O 3964 H2O H1 3 0.423800 1.0079 0 - 13908 H2O 3964 H2O H2 3 0.423800 1.0079 0 - 13909 H2O 3965 H2O O1 4 -0.847600 15.9994 0 - 13910 H2O 3965 H2O H1 3 0.423800 1.0079 0 - 13911 H2O 3965 H2O H2 3 0.423800 1.0079 0 - 13912 H2O 3966 H2O O1 4 -0.847600 15.9994 0 - 13913 H2O 3966 H2O H1 3 0.423800 1.0079 0 - 13914 H2O 3966 H2O H2 3 0.423800 1.0079 0 - 13915 H2O 3967 H2O O1 4 -0.847600 15.9994 0 - 13916 H2O 3967 H2O H1 3 0.423800 1.0079 0 - 13917 H2O 3967 H2O H2 3 0.423800 1.0079 0 - 13918 H2O 3968 H2O O1 4 -0.847600 15.9994 0 - 13919 H2O 3968 H2O H1 3 0.423800 1.0079 0 - 13920 H2O 3968 H2O H2 3 0.423800 1.0079 0 - 13921 H2O 3969 H2O O1 4 -0.847600 15.9994 0 - 13922 H2O 3969 H2O H1 3 0.423800 1.0079 0 - 13923 H2O 3969 H2O H2 3 0.423800 1.0079 0 - 13924 H2O 3970 H2O O1 4 -0.847600 15.9994 0 - 13925 H2O 3970 H2O H1 3 0.423800 1.0079 0 - 13926 H2O 3970 H2O H2 3 0.423800 1.0079 0 - 13927 H2O 3971 H2O O1 4 -0.847600 15.9994 0 - 13928 H2O 3971 H2O H1 3 0.423800 1.0079 0 - 13929 H2O 3971 H2O H2 3 0.423800 1.0079 0 - 13930 H2O 3972 H2O O1 4 -0.847600 15.9994 0 - 13931 H2O 3972 H2O H1 3 0.423800 1.0079 0 - 13932 H2O 3972 H2O H2 3 0.423800 1.0079 0 - 13933 H2O 3973 H2O O1 4 -0.847600 15.9994 0 - 13934 H2O 3973 H2O H1 3 0.423800 1.0079 0 - 13935 H2O 3973 H2O H2 3 0.423800 1.0079 0 - 13936 H2O 3974 H2O O1 4 -0.847600 15.9994 0 - 13937 H2O 3974 H2O H1 3 0.423800 1.0079 0 - 13938 H2O 3974 H2O H2 3 0.423800 1.0079 0 - 13939 H2O 3975 H2O O1 4 -0.847600 15.9994 0 - 13940 H2O 3975 H2O H1 3 0.423800 1.0079 0 - 13941 H2O 3975 H2O H2 3 0.423800 1.0079 0 - 13942 H2O 3976 H2O O1 4 -0.847600 15.9994 0 - 13943 H2O 3976 H2O H1 3 0.423800 1.0079 0 - 13944 H2O 3976 H2O H2 3 0.423800 1.0079 0 - 13945 H2O 3977 H2O O1 4 -0.847600 15.9994 0 - 13946 H2O 3977 H2O H1 3 0.423800 1.0079 0 - 13947 H2O 3977 H2O H2 3 0.423800 1.0079 0 - 13948 H2O 3978 H2O O1 4 -0.847600 15.9994 0 - 13949 H2O 3978 H2O H1 3 0.423800 1.0079 0 - 13950 H2O 3978 H2O H2 3 0.423800 1.0079 0 - 13951 H2O 3979 H2O O1 4 -0.847600 15.9994 0 - 13952 H2O 3979 H2O H1 3 0.423800 1.0079 0 - 13953 H2O 3979 H2O H2 3 0.423800 1.0079 0 - 13954 H2O 3980 H2O O1 4 -0.847600 15.9994 0 - 13955 H2O 3980 H2O H1 3 0.423800 1.0079 0 - 13956 H2O 3980 H2O H2 3 0.423800 1.0079 0 - 13957 H2O 3981 H2O O1 4 -0.847600 15.9994 0 - 13958 H2O 3981 H2O H1 3 0.423800 1.0079 0 - 13959 H2O 3981 H2O H2 3 0.423800 1.0079 0 - 13960 H2O 3982 H2O O1 4 -0.847600 15.9994 0 - 13961 H2O 3982 H2O H1 3 0.423800 1.0079 0 - 13962 H2O 3982 H2O H2 3 0.423800 1.0079 0 - 13963 H2O 3983 H2O O1 4 -0.847600 15.9994 0 - 13964 H2O 3983 H2O H1 3 0.423800 1.0079 0 - 13965 H2O 3983 H2O H2 3 0.423800 1.0079 0 - 13966 H2O 3984 H2O O1 4 -0.847600 15.9994 0 - 13967 H2O 3984 H2O H1 3 0.423800 1.0079 0 - 13968 H2O 3984 H2O H2 3 0.423800 1.0079 0 - 13969 H2O 3985 H2O O1 4 -0.847600 15.9994 0 - 13970 H2O 3985 H2O H1 3 0.423800 1.0079 0 - 13971 H2O 3985 H2O H2 3 0.423800 1.0079 0 - 13972 H2O 3986 H2O O1 4 -0.847600 15.9994 0 - 13973 H2O 3986 H2O H1 3 0.423800 1.0079 0 - 13974 H2O 3986 H2O H2 3 0.423800 1.0079 0 - 13975 H2O 3987 H2O O1 4 -0.847600 15.9994 0 - 13976 H2O 3987 H2O H1 3 0.423800 1.0079 0 - 13977 H2O 3987 H2O H2 3 0.423800 1.0079 0 - 13978 H2O 3988 H2O O1 4 -0.847600 15.9994 0 - 13979 H2O 3988 H2O H1 3 0.423800 1.0079 0 - 13980 H2O 3988 H2O H2 3 0.423800 1.0079 0 - 13981 H2O 3989 H2O O1 4 -0.847600 15.9994 0 - 13982 H2O 3989 H2O H1 3 0.423800 1.0079 0 - 13983 H2O 3989 H2O H2 3 0.423800 1.0079 0 - 13984 H2O 3990 H2O O1 4 -0.847600 15.9994 0 - 13985 H2O 3990 H2O H1 3 0.423800 1.0079 0 - 13986 H2O 3990 H2O H2 3 0.423800 1.0079 0 - 13987 H2O 3991 H2O O1 4 -0.847600 15.9994 0 - 13988 H2O 3991 H2O H1 3 0.423800 1.0079 0 - 13989 H2O 3991 H2O H2 3 0.423800 1.0079 0 - 13990 H2O 3992 H2O O1 4 -0.847600 15.9994 0 - 13991 H2O 3992 H2O H1 3 0.423800 1.0079 0 - 13992 H2O 3992 H2O H2 3 0.423800 1.0079 0 - 13993 H2O 3993 H2O O1 4 -0.847600 15.9994 0 - 13994 H2O 3993 H2O H1 3 0.423800 1.0079 0 - 13995 H2O 3993 H2O H2 3 0.423800 1.0079 0 - 13996 H2O 3994 H2O O1 4 -0.847600 15.9994 0 - 13997 H2O 3994 H2O H1 3 0.423800 1.0079 0 - 13998 H2O 3994 H2O H2 3 0.423800 1.0079 0 - 13999 H2O 3995 H2O O1 4 -0.847600 15.9994 0 - 14000 H2O 3995 H2O H1 3 0.423800 1.0079 0 - 14001 H2O 3995 H2O H2 3 0.423800 1.0079 0 - 14002 H2O 3996 H2O O1 4 -0.847600 15.9994 0 - 14003 H2O 3996 H2O H1 3 0.423800 1.0079 0 - 14004 H2O 3996 H2O H2 3 0.423800 1.0079 0 - 14005 H2O 3997 H2O O1 4 -0.847600 15.9994 0 - 14006 H2O 3997 H2O H1 3 0.423800 1.0079 0 - 14007 H2O 3997 H2O H2 3 0.423800 1.0079 0 - 14008 H2O 3998 H2O O1 4 -0.847600 15.9994 0 - 14009 H2O 3998 H2O H1 3 0.423800 1.0079 0 - 14010 H2O 3998 H2O H2 3 0.423800 1.0079 0 - 14011 H2O 3999 H2O O1 4 -0.847600 15.9994 0 - 14012 H2O 3999 H2O H1 3 0.423800 1.0079 0 - 14013 H2O 3999 H2O H2 3 0.423800 1.0079 0 - 14014 H2O 4000 H2O O1 4 -0.847600 15.9994 0 - 14015 H2O 4000 H2O H1 3 0.423800 1.0079 0 - 14016 H2O 4000 H2O H2 3 0.423800 1.0079 0 - 14017 H2O 4001 H2O O1 4 -0.847600 15.9994 0 - 14018 H2O 4001 H2O H1 3 0.423800 1.0079 0 - 14019 H2O 4001 H2O H2 3 0.423800 1.0079 0 - 14020 H2O 4002 H2O O1 4 -0.847600 15.9994 0 - 14021 H2O 4002 H2O H1 3 0.423800 1.0079 0 - 14022 H2O 4002 H2O H2 3 0.423800 1.0079 0 - 14023 H2O 4003 H2O O1 4 -0.847600 15.9994 0 - 14024 H2O 4003 H2O H1 3 0.423800 1.0079 0 - 14025 H2O 4003 H2O H2 3 0.423800 1.0079 0 - 14026 H2O 4004 H2O O1 4 -0.847600 15.9994 0 - 14027 H2O 4004 H2O H1 3 0.423800 1.0079 0 - 14028 H2O 4004 H2O H2 3 0.423800 1.0079 0 - 14029 H2O 4005 H2O O1 4 -0.847600 15.9994 0 - 14030 H2O 4005 H2O H1 3 0.423800 1.0079 0 - 14031 H2O 4005 H2O H2 3 0.423800 1.0079 0 - 14032 H2O 4006 H2O O1 4 -0.847600 15.9994 0 - 14033 H2O 4006 H2O H1 3 0.423800 1.0079 0 - 14034 H2O 4006 H2O H2 3 0.423800 1.0079 0 - 14035 H2O 4007 H2O O1 4 -0.847600 15.9994 0 - 14036 H2O 4007 H2O H1 3 0.423800 1.0079 0 - 14037 H2O 4007 H2O H2 3 0.423800 1.0079 0 - 14038 H2O 4008 H2O O1 4 -0.847600 15.9994 0 - 14039 H2O 4008 H2O H1 3 0.423800 1.0079 0 - 14040 H2O 4008 H2O H2 3 0.423800 1.0079 0 - 14041 H2O 4009 H2O O1 4 -0.847600 15.9994 0 - 14042 H2O 4009 H2O H1 3 0.423800 1.0079 0 - 14043 H2O 4009 H2O H2 3 0.423800 1.0079 0 - 14044 H2O 4010 H2O O1 4 -0.847600 15.9994 0 - 14045 H2O 4010 H2O H1 3 0.423800 1.0079 0 - 14046 H2O 4010 H2O H2 3 0.423800 1.0079 0 - 14047 H2O 4011 H2O O1 4 -0.847600 15.9994 0 - 14048 H2O 4011 H2O H1 3 0.423800 1.0079 0 - 14049 H2O 4011 H2O H2 3 0.423800 1.0079 0 - 14050 H2O 4012 H2O O1 4 -0.847600 15.9994 0 - 14051 H2O 4012 H2O H1 3 0.423800 1.0079 0 - 14052 H2O 4012 H2O H2 3 0.423800 1.0079 0 - 14053 H2O 4013 H2O O1 4 -0.847600 15.9994 0 - 14054 H2O 4013 H2O H1 3 0.423800 1.0079 0 - 14055 H2O 4013 H2O H2 3 0.423800 1.0079 0 - 14056 H2O 4014 H2O O1 4 -0.847600 15.9994 0 - 14057 H2O 4014 H2O H1 3 0.423800 1.0079 0 - 14058 H2O 4014 H2O H2 3 0.423800 1.0079 0 - 14059 H2O 4015 H2O O1 4 -0.847600 15.9994 0 - 14060 H2O 4015 H2O H1 3 0.423800 1.0079 0 - 14061 H2O 4015 H2O H2 3 0.423800 1.0079 0 - 14062 H2O 4016 H2O O1 4 -0.847600 15.9994 0 - 14063 H2O 4016 H2O H1 3 0.423800 1.0079 0 - 14064 H2O 4016 H2O H2 3 0.423800 1.0079 0 - 14065 H2O 4017 H2O O1 4 -0.847600 15.9994 0 - 14066 H2O 4017 H2O H1 3 0.423800 1.0079 0 - 14067 H2O 4017 H2O H2 3 0.423800 1.0079 0 - 14068 H2O 4018 H2O O1 4 -0.847600 15.9994 0 - 14069 H2O 4018 H2O H1 3 0.423800 1.0079 0 - 14070 H2O 4018 H2O H2 3 0.423800 1.0079 0 - 14071 H2O 4019 H2O O1 4 -0.847600 15.9994 0 - 14072 H2O 4019 H2O H1 3 0.423800 1.0079 0 - 14073 H2O 4019 H2O H2 3 0.423800 1.0079 0 - 14074 H2O 4020 H2O O1 4 -0.847600 15.9994 0 - 14075 H2O 4020 H2O H1 3 0.423800 1.0079 0 - 14076 H2O 4020 H2O H2 3 0.423800 1.0079 0 - 14077 H2O 4021 H2O O1 4 -0.847600 15.9994 0 - 14078 H2O 4021 H2O H1 3 0.423800 1.0079 0 - 14079 H2O 4021 H2O H2 3 0.423800 1.0079 0 - 14080 H2O 4022 H2O O1 4 -0.847600 15.9994 0 - 14081 H2O 4022 H2O H1 3 0.423800 1.0079 0 - 14082 H2O 4022 H2O H2 3 0.423800 1.0079 0 - 14083 H2O 4023 H2O O1 4 -0.847600 15.9994 0 - 14084 H2O 4023 H2O H1 3 0.423800 1.0079 0 - 14085 H2O 4023 H2O H2 3 0.423800 1.0079 0 - 14086 H2O 4024 H2O O1 4 -0.847600 15.9994 0 - 14087 H2O 4024 H2O H1 3 0.423800 1.0079 0 - 14088 H2O 4024 H2O H2 3 0.423800 1.0079 0 - 14089 H2O 4025 H2O O1 4 -0.847600 15.9994 0 - 14090 H2O 4025 H2O H1 3 0.423800 1.0079 0 - 14091 H2O 4025 H2O H2 3 0.423800 1.0079 0 - 14092 H2O 4026 H2O O1 4 -0.847600 15.9994 0 - 14093 H2O 4026 H2O H1 3 0.423800 1.0079 0 - 14094 H2O 4026 H2O H2 3 0.423800 1.0079 0 - 14095 H2O 4027 H2O O1 4 -0.847600 15.9994 0 - 14096 H2O 4027 H2O H1 3 0.423800 1.0079 0 - 14097 H2O 4027 H2O H2 3 0.423800 1.0079 0 - 14098 H2O 4028 H2O O1 4 -0.847600 15.9994 0 - 14099 H2O 4028 H2O H1 3 0.423800 1.0079 0 - 14100 H2O 4028 H2O H2 3 0.423800 1.0079 0 - 14101 H2O 4029 H2O O1 4 -0.847600 15.9994 0 - 14102 H2O 4029 H2O H1 3 0.423800 1.0079 0 - 14103 H2O 4029 H2O H2 3 0.423800 1.0079 0 - 14104 H2O 4030 H2O O1 4 -0.847600 15.9994 0 - 14105 H2O 4030 H2O H1 3 0.423800 1.0079 0 - 14106 H2O 4030 H2O H2 3 0.423800 1.0079 0 - 14107 H2O 4031 H2O O1 4 -0.847600 15.9994 0 - 14108 H2O 4031 H2O H1 3 0.423800 1.0079 0 - 14109 H2O 4031 H2O H2 3 0.423800 1.0079 0 - 14110 H2O 4032 H2O O1 4 -0.847600 15.9994 0 - 14111 H2O 4032 H2O H1 3 0.423800 1.0079 0 - 14112 H2O 4032 H2O H2 3 0.423800 1.0079 0 - 14113 H2O 4033 H2O O1 4 -0.847600 15.9994 0 - 14114 H2O 4033 H2O H1 3 0.423800 1.0079 0 - 14115 H2O 4033 H2O H2 3 0.423800 1.0079 0 - 14116 H2O 4034 H2O O1 4 -0.847600 15.9994 0 - 14117 H2O 4034 H2O H1 3 0.423800 1.0079 0 - 14118 H2O 4034 H2O H2 3 0.423800 1.0079 0 - 14119 H2O 4035 H2O O1 4 -0.847600 15.9994 0 - 14120 H2O 4035 H2O H1 3 0.423800 1.0079 0 - 14121 H2O 4035 H2O H2 3 0.423800 1.0079 0 - 14122 H2O 4036 H2O O1 4 -0.847600 15.9994 0 - 14123 H2O 4036 H2O H1 3 0.423800 1.0079 0 - 14124 H2O 4036 H2O H2 3 0.423800 1.0079 0 - 14125 H2O 4037 H2O O1 4 -0.847600 15.9994 0 - 14126 H2O 4037 H2O H1 3 0.423800 1.0079 0 - 14127 H2O 4037 H2O H2 3 0.423800 1.0079 0 - 14128 H2O 4038 H2O O1 4 -0.847600 15.9994 0 - 14129 H2O 4038 H2O H1 3 0.423800 1.0079 0 - 14130 H2O 4038 H2O H2 3 0.423800 1.0079 0 - 14131 H2O 4039 H2O O1 4 -0.847600 15.9994 0 - 14132 H2O 4039 H2O H1 3 0.423800 1.0079 0 - 14133 H2O 4039 H2O H2 3 0.423800 1.0079 0 - 14134 H2O 4040 H2O O1 4 -0.847600 15.9994 0 - 14135 H2O 4040 H2O H1 3 0.423800 1.0079 0 - 14136 H2O 4040 H2O H2 3 0.423800 1.0079 0 - 14137 H2O 4041 H2O O1 4 -0.847600 15.9994 0 - 14138 H2O 4041 H2O H1 3 0.423800 1.0079 0 - 14139 H2O 4041 H2O H2 3 0.423800 1.0079 0 - 14140 H2O 4042 H2O O1 4 -0.847600 15.9994 0 - 14141 H2O 4042 H2O H1 3 0.423800 1.0079 0 - 14142 H2O 4042 H2O H2 3 0.423800 1.0079 0 - 14143 H2O 4043 H2O O1 4 -0.847600 15.9994 0 - 14144 H2O 4043 H2O H1 3 0.423800 1.0079 0 - 14145 H2O 4043 H2O H2 3 0.423800 1.0079 0 - 14146 H2O 4044 H2O O1 4 -0.847600 15.9994 0 - 14147 H2O 4044 H2O H1 3 0.423800 1.0079 0 - 14148 H2O 4044 H2O H2 3 0.423800 1.0079 0 - 14149 H2O 4045 H2O O1 4 -0.847600 15.9994 0 - 14150 H2O 4045 H2O H1 3 0.423800 1.0079 0 - 14151 H2O 4045 H2O H2 3 0.423800 1.0079 0 - 14152 H2O 4046 H2O O1 4 -0.847600 15.9994 0 - 14153 H2O 4046 H2O H1 3 0.423800 1.0079 0 - 14154 H2O 4046 H2O H2 3 0.423800 1.0079 0 - 14155 H2O 4047 H2O O1 4 -0.847600 15.9994 0 - 14156 H2O 4047 H2O H1 3 0.423800 1.0079 0 - 14157 H2O 4047 H2O H2 3 0.423800 1.0079 0 - 14158 H2O 4048 H2O O1 4 -0.847600 15.9994 0 - 14159 H2O 4048 H2O H1 3 0.423800 1.0079 0 - 14160 H2O 4048 H2O H2 3 0.423800 1.0079 0 - 14161 H2O 4049 H2O O1 4 -0.847600 15.9994 0 - 14162 H2O 4049 H2O H1 3 0.423800 1.0079 0 - 14163 H2O 4049 H2O H2 3 0.423800 1.0079 0 - 14164 H2O 4050 H2O O1 4 -0.847600 15.9994 0 - 14165 H2O 4050 H2O H1 3 0.423800 1.0079 0 - 14166 H2O 4050 H2O H2 3 0.423800 1.0079 0 - 14167 H2O 4051 H2O O1 4 -0.847600 15.9994 0 - 14168 H2O 4051 H2O H1 3 0.423800 1.0079 0 - 14169 H2O 4051 H2O H2 3 0.423800 1.0079 0 - 14170 H2O 4052 H2O O1 4 -0.847600 15.9994 0 - 14171 H2O 4052 H2O H1 3 0.423800 1.0079 0 - 14172 H2O 4052 H2O H2 3 0.423800 1.0079 0 - 14173 H2O 4053 H2O O1 4 -0.847600 15.9994 0 - 14174 H2O 4053 H2O H1 3 0.423800 1.0079 0 - 14175 H2O 4053 H2O H2 3 0.423800 1.0079 0 - 14176 H2O 4054 H2O O1 4 -0.847600 15.9994 0 - 14177 H2O 4054 H2O H1 3 0.423800 1.0079 0 - 14178 H2O 4054 H2O H2 3 0.423800 1.0079 0 - 14179 H2O 4055 H2O O1 4 -0.847600 15.9994 0 - 14180 H2O 4055 H2O H1 3 0.423800 1.0079 0 - 14181 H2O 4055 H2O H2 3 0.423800 1.0079 0 - 14182 H2O 4056 H2O O1 4 -0.847600 15.9994 0 - 14183 H2O 4056 H2O H1 3 0.423800 1.0079 0 - 14184 H2O 4056 H2O H2 3 0.423800 1.0079 0 - 14185 H2O 4057 H2O O1 4 -0.847600 15.9994 0 - 14186 H2O 4057 H2O H1 3 0.423800 1.0079 0 - 14187 H2O 4057 H2O H2 3 0.423800 1.0079 0 - 14188 H2O 4058 H2O O1 4 -0.847600 15.9994 0 - 14189 H2O 4058 H2O H1 3 0.423800 1.0079 0 - 14190 H2O 4058 H2O H2 3 0.423800 1.0079 0 - 14191 H2O 4059 H2O O1 4 -0.847600 15.9994 0 - 14192 H2O 4059 H2O H1 3 0.423800 1.0079 0 - 14193 H2O 4059 H2O H2 3 0.423800 1.0079 0 - 14194 H2O 4060 H2O O1 4 -0.847600 15.9994 0 - 14195 H2O 4060 H2O H1 3 0.423800 1.0079 0 - 14196 H2O 4060 H2O H2 3 0.423800 1.0079 0 - 14197 H2O 4061 H2O O1 4 -0.847600 15.9994 0 - 14198 H2O 4061 H2O H1 3 0.423800 1.0079 0 - 14199 H2O 4061 H2O H2 3 0.423800 1.0079 0 - 14200 H2O 4062 H2O O1 4 -0.847600 15.9994 0 - 14201 H2O 4062 H2O H1 3 0.423800 1.0079 0 - 14202 H2O 4062 H2O H2 3 0.423800 1.0079 0 - 14203 H2O 4063 H2O O1 4 -0.847600 15.9994 0 - 14204 H2O 4063 H2O H1 3 0.423800 1.0079 0 - 14205 H2O 4063 H2O H2 3 0.423800 1.0079 0 - 14206 H2O 4064 H2O O1 4 -0.847600 15.9994 0 - 14207 H2O 4064 H2O H1 3 0.423800 1.0079 0 - 14208 H2O 4064 H2O H2 3 0.423800 1.0079 0 - 14209 H2O 4065 H2O O1 4 -0.847600 15.9994 0 - 14210 H2O 4065 H2O H1 3 0.423800 1.0079 0 - 14211 H2O 4065 H2O H2 3 0.423800 1.0079 0 - 14212 H2O 4066 H2O O1 4 -0.847600 15.9994 0 - 14213 H2O 4066 H2O H1 3 0.423800 1.0079 0 - 14214 H2O 4066 H2O H2 3 0.423800 1.0079 0 - 14215 H2O 4067 H2O O1 4 -0.847600 15.9994 0 - 14216 H2O 4067 H2O H1 3 0.423800 1.0079 0 - 14217 H2O 4067 H2O H2 3 0.423800 1.0079 0 - 14218 H2O 4068 H2O O1 4 -0.847600 15.9994 0 - 14219 H2O 4068 H2O H1 3 0.423800 1.0079 0 - 14220 H2O 4068 H2O H2 3 0.423800 1.0079 0 - 14221 H2O 4069 H2O O1 4 -0.847600 15.9994 0 - 14222 H2O 4069 H2O H1 3 0.423800 1.0079 0 - 14223 H2O 4069 H2O H2 3 0.423800 1.0079 0 - 14224 H2O 4070 H2O O1 4 -0.847600 15.9994 0 - 14225 H2O 4070 H2O H1 3 0.423800 1.0079 0 - 14226 H2O 4070 H2O H2 3 0.423800 1.0079 0 - 14227 H2O 4071 H2O O1 4 -0.847600 15.9994 0 - 14228 H2O 4071 H2O H1 3 0.423800 1.0079 0 - 14229 H2O 4071 H2O H2 3 0.423800 1.0079 0 - 14230 H2O 4072 H2O O1 4 -0.847600 15.9994 0 - 14231 H2O 4072 H2O H1 3 0.423800 1.0079 0 - 14232 H2O 4072 H2O H2 3 0.423800 1.0079 0 - 14233 H2O 4073 H2O O1 4 -0.847600 15.9994 0 - 14234 H2O 4073 H2O H1 3 0.423800 1.0079 0 - 14235 H2O 4073 H2O H2 3 0.423800 1.0079 0 - 14236 H2O 4074 H2O O1 4 -0.847600 15.9994 0 - 14237 H2O 4074 H2O H1 3 0.423800 1.0079 0 - 14238 H2O 4074 H2O H2 3 0.423800 1.0079 0 - 14239 H2O 4075 H2O O1 4 -0.847600 15.9994 0 - 14240 H2O 4075 H2O H1 3 0.423800 1.0079 0 - 14241 H2O 4075 H2O H2 3 0.423800 1.0079 0 - 14242 H2O 4076 H2O O1 4 -0.847600 15.9994 0 - 14243 H2O 4076 H2O H1 3 0.423800 1.0079 0 - 14244 H2O 4076 H2O H2 3 0.423800 1.0079 0 - 14245 H2O 4077 H2O O1 4 -0.847600 15.9994 0 - 14246 H2O 4077 H2O H1 3 0.423800 1.0079 0 - 14247 H2O 4077 H2O H2 3 0.423800 1.0079 0 - 14248 H2O 4078 H2O O1 4 -0.847600 15.9994 0 - 14249 H2O 4078 H2O H1 3 0.423800 1.0079 0 - 14250 H2O 4078 H2O H2 3 0.423800 1.0079 0 - 14251 H2O 4079 H2O O1 4 -0.847600 15.9994 0 - 14252 H2O 4079 H2O H1 3 0.423800 1.0079 0 - 14253 H2O 4079 H2O H2 3 0.423800 1.0079 0 - 14254 H2O 4080 H2O O1 4 -0.847600 15.9994 0 - 14255 H2O 4080 H2O H1 3 0.423800 1.0079 0 - 14256 H2O 4080 H2O H2 3 0.423800 1.0079 0 - 14257 H2O 4081 H2O O1 4 -0.847600 15.9994 0 - 14258 H2O 4081 H2O H1 3 0.423800 1.0079 0 - 14259 H2O 4081 H2O H2 3 0.423800 1.0079 0 - 14260 H2O 4082 H2O O1 4 -0.847600 15.9994 0 - 14261 H2O 4082 H2O H1 3 0.423800 1.0079 0 - 14262 H2O 4082 H2O H2 3 0.423800 1.0079 0 - 14263 H2O 4083 H2O O1 4 -0.847600 15.9994 0 - 14264 H2O 4083 H2O H1 3 0.423800 1.0079 0 - 14265 H2O 4083 H2O H2 3 0.423800 1.0079 0 - 14266 H2O 4084 H2O O1 4 -0.847600 15.9994 0 - 14267 H2O 4084 H2O H1 3 0.423800 1.0079 0 - 14268 H2O 4084 H2O H2 3 0.423800 1.0079 0 - 14269 H2O 4085 H2O O1 4 -0.847600 15.9994 0 - 14270 H2O 4085 H2O H1 3 0.423800 1.0079 0 - 14271 H2O 4085 H2O H2 3 0.423800 1.0079 0 - 14272 H2O 4086 H2O O1 4 -0.847600 15.9994 0 - 14273 H2O 4086 H2O H1 3 0.423800 1.0079 0 - 14274 H2O 4086 H2O H2 3 0.423800 1.0079 0 - 14275 H2O 4087 H2O O1 4 -0.847600 15.9994 0 - 14276 H2O 4087 H2O H1 3 0.423800 1.0079 0 - 14277 H2O 4087 H2O H2 3 0.423800 1.0079 0 - 14278 H2O 4088 H2O O1 4 -0.847600 15.9994 0 - 14279 H2O 4088 H2O H1 3 0.423800 1.0079 0 - 14280 H2O 4088 H2O H2 3 0.423800 1.0079 0 - 14281 H2O 4089 H2O O1 4 -0.847600 15.9994 0 - 14282 H2O 4089 H2O H1 3 0.423800 1.0079 0 - 14283 H2O 4089 H2O H2 3 0.423800 1.0079 0 - 14284 H2O 4090 H2O O1 4 -0.847600 15.9994 0 - 14285 H2O 4090 H2O H1 3 0.423800 1.0079 0 - 14286 H2O 4090 H2O H2 3 0.423800 1.0079 0 - 14287 H2O 4091 H2O O1 4 -0.847600 15.9994 0 - 14288 H2O 4091 H2O H1 3 0.423800 1.0079 0 - 14289 H2O 4091 H2O H2 3 0.423800 1.0079 0 - 14290 H2O 4092 H2O O1 4 -0.847600 15.9994 0 - 14291 H2O 4092 H2O H1 3 0.423800 1.0079 0 - 14292 H2O 4092 H2O H2 3 0.423800 1.0079 0 - 14293 H2O 4093 H2O O1 4 -0.847600 15.9994 0 - 14294 H2O 4093 H2O H1 3 0.423800 1.0079 0 - 14295 H2O 4093 H2O H2 3 0.423800 1.0079 0 - 14296 H2O 4094 H2O O1 4 -0.847600 15.9994 0 - 14297 H2O 4094 H2O H1 3 0.423800 1.0079 0 - 14298 H2O 4094 H2O H2 3 0.423800 1.0079 0 - 14299 H2O 4095 H2O O1 4 -0.847600 15.9994 0 - 14300 H2O 4095 H2O H1 3 0.423800 1.0079 0 - 14301 H2O 4095 H2O H2 3 0.423800 1.0079 0 - 14302 H2O 4096 H2O O1 4 -0.847600 15.9994 0 - 14303 H2O 4096 H2O H1 3 0.423800 1.0079 0 - 14304 H2O 4096 H2O H2 3 0.423800 1.0079 0 - 14305 H2O 4097 H2O O1 4 -0.847600 15.9994 0 - 14306 H2O 4097 H2O H1 3 0.423800 1.0079 0 - 14307 H2O 4097 H2O H2 3 0.423800 1.0079 0 - 14308 H2O 4098 H2O O1 4 -0.847600 15.9994 0 - 14309 H2O 4098 H2O H1 3 0.423800 1.0079 0 - 14310 H2O 4098 H2O H2 3 0.423800 1.0079 0 - 14311 H2O 4099 H2O O1 4 -0.847600 15.9994 0 - 14312 H2O 4099 H2O H1 3 0.423800 1.0079 0 - 14313 H2O 4099 H2O H2 3 0.423800 1.0079 0 - 14314 H2O 4100 H2O O1 4 -0.847600 15.9994 0 - 14315 H2O 4100 H2O H1 3 0.423800 1.0079 0 - 14316 H2O 4100 H2O H2 3 0.423800 1.0079 0 - 14317 H2O 4101 H2O O1 4 -0.847600 15.9994 0 - 14318 H2O 4101 H2O H1 3 0.423800 1.0079 0 - 14319 H2O 4101 H2O H2 3 0.423800 1.0079 0 - 14320 H2O 4102 H2O O1 4 -0.847600 15.9994 0 - 14321 H2O 4102 H2O H1 3 0.423800 1.0079 0 - 14322 H2O 4102 H2O H2 3 0.423800 1.0079 0 - 14323 H2O 4103 H2O O1 4 -0.847600 15.9994 0 - 14324 H2O 4103 H2O H1 3 0.423800 1.0079 0 - 14325 H2O 4103 H2O H2 3 0.423800 1.0079 0 - 14326 H2O 4104 H2O O1 4 -0.847600 15.9994 0 - 14327 H2O 4104 H2O H1 3 0.423800 1.0079 0 - 14328 H2O 4104 H2O H2 3 0.423800 1.0079 0 - 14329 H2O 4105 H2O O1 4 -0.847600 15.9994 0 - 14330 H2O 4105 H2O H1 3 0.423800 1.0079 0 - 14331 H2O 4105 H2O H2 3 0.423800 1.0079 0 - 14332 H2O 4106 H2O O1 4 -0.847600 15.9994 0 - 14333 H2O 4106 H2O H1 3 0.423800 1.0079 0 - 14334 H2O 4106 H2O H2 3 0.423800 1.0079 0 - 14335 H2O 4107 H2O O1 4 -0.847600 15.9994 0 - 14336 H2O 4107 H2O H1 3 0.423800 1.0079 0 - 14337 H2O 4107 H2O H2 3 0.423800 1.0079 0 - 14338 H2O 4108 H2O O1 4 -0.847600 15.9994 0 - 14339 H2O 4108 H2O H1 3 0.423800 1.0079 0 - 14340 H2O 4108 H2O H2 3 0.423800 1.0079 0 - 14341 H2O 4109 H2O O1 4 -0.847600 15.9994 0 - 14342 H2O 4109 H2O H1 3 0.423800 1.0079 0 - 14343 H2O 4109 H2O H2 3 0.423800 1.0079 0 - 14344 H2O 4110 H2O O1 4 -0.847600 15.9994 0 - 14345 H2O 4110 H2O H1 3 0.423800 1.0079 0 - 14346 H2O 4110 H2O H2 3 0.423800 1.0079 0 - 14347 H2O 4111 H2O O1 4 -0.847600 15.9994 0 - 14348 H2O 4111 H2O H1 3 0.423800 1.0079 0 - 14349 H2O 4111 H2O H2 3 0.423800 1.0079 0 - 14350 H2O 4112 H2O O1 4 -0.847600 15.9994 0 - 14351 H2O 4112 H2O H1 3 0.423800 1.0079 0 - 14352 H2O 4112 H2O H2 3 0.423800 1.0079 0 - 14353 H2O 4113 H2O O1 4 -0.847600 15.9994 0 - 14354 H2O 4113 H2O H1 3 0.423800 1.0079 0 - 14355 H2O 4113 H2O H2 3 0.423800 1.0079 0 - 14356 H2O 4114 H2O O1 4 -0.847600 15.9994 0 - 14357 H2O 4114 H2O H1 3 0.423800 1.0079 0 - 14358 H2O 4114 H2O H2 3 0.423800 1.0079 0 - 14359 H2O 4115 H2O O1 4 -0.847600 15.9994 0 - 14360 H2O 4115 H2O H1 3 0.423800 1.0079 0 - 14361 H2O 4115 H2O H2 3 0.423800 1.0079 0 - 14362 H2O 4116 H2O O1 4 -0.847600 15.9994 0 - 14363 H2O 4116 H2O H1 3 0.423800 1.0079 0 - 14364 H2O 4116 H2O H2 3 0.423800 1.0079 0 - 14365 H2O 4117 H2O O1 4 -0.847600 15.9994 0 - 14366 H2O 4117 H2O H1 3 0.423800 1.0079 0 - 14367 H2O 4117 H2O H2 3 0.423800 1.0079 0 - 14368 H2O 4118 H2O O1 4 -0.847600 15.9994 0 - 14369 H2O 4118 H2O H1 3 0.423800 1.0079 0 - 14370 H2O 4118 H2O H2 3 0.423800 1.0079 0 - 14371 H2O 4119 H2O O1 4 -0.847600 15.9994 0 - 14372 H2O 4119 H2O H1 3 0.423800 1.0079 0 - 14373 H2O 4119 H2O H2 3 0.423800 1.0079 0 - 14374 H2O 4120 H2O O1 4 -0.847600 15.9994 0 - 14375 H2O 4120 H2O H1 3 0.423800 1.0079 0 - 14376 H2O 4120 H2O H2 3 0.423800 1.0079 0 - 14377 H2O 4121 H2O O1 4 -0.847600 15.9994 0 - 14378 H2O 4121 H2O H1 3 0.423800 1.0079 0 - 14379 H2O 4121 H2O H2 3 0.423800 1.0079 0 - 14380 H2O 4122 H2O O1 4 -0.847600 15.9994 0 - 14381 H2O 4122 H2O H1 3 0.423800 1.0079 0 - 14382 H2O 4122 H2O H2 3 0.423800 1.0079 0 - 14383 H2O 4123 H2O O1 4 -0.847600 15.9994 0 - 14384 H2O 4123 H2O H1 3 0.423800 1.0079 0 - 14385 H2O 4123 H2O H2 3 0.423800 1.0079 0 - 14386 H2O 4124 H2O O1 4 -0.847600 15.9994 0 - 14387 H2O 4124 H2O H1 3 0.423800 1.0079 0 - 14388 H2O 4124 H2O H2 3 0.423800 1.0079 0 - 14389 H2O 4125 H2O O1 4 -0.847600 15.9994 0 - 14390 H2O 4125 H2O H1 3 0.423800 1.0079 0 - 14391 H2O 4125 H2O H2 3 0.423800 1.0079 0 - 14392 H2O 4126 H2O O1 4 -0.847600 15.9994 0 - 14393 H2O 4126 H2O H1 3 0.423800 1.0079 0 - 14394 H2O 4126 H2O H2 3 0.423800 1.0079 0 - 14395 H2O 4127 H2O O1 4 -0.847600 15.9994 0 - 14396 H2O 4127 H2O H1 3 0.423800 1.0079 0 - 14397 H2O 4127 H2O H2 3 0.423800 1.0079 0 - 14398 H2O 4128 H2O O1 4 -0.847600 15.9994 0 - 14399 H2O 4128 H2O H1 3 0.423800 1.0079 0 - 14400 H2O 4128 H2O H2 3 0.423800 1.0079 0 - 14401 H2O 4129 H2O O1 4 -0.847600 15.9994 0 - 14402 H2O 4129 H2O H1 3 0.423800 1.0079 0 - 14403 H2O 4129 H2O H2 3 0.423800 1.0079 0 - 14404 H2O 4130 H2O O1 4 -0.847600 15.9994 0 - 14405 H2O 4130 H2O H1 3 0.423800 1.0079 0 - 14406 H2O 4130 H2O H2 3 0.423800 1.0079 0 - 14407 H2O 4131 H2O O1 4 -0.847600 15.9994 0 - 14408 H2O 4131 H2O H1 3 0.423800 1.0079 0 - 14409 H2O 4131 H2O H2 3 0.423800 1.0079 0 - 14410 H2O 4132 H2O O1 4 -0.847600 15.9994 0 - 14411 H2O 4132 H2O H1 3 0.423800 1.0079 0 - 14412 H2O 4132 H2O H2 3 0.423800 1.0079 0 - 14413 H2O 4133 H2O O1 4 -0.847600 15.9994 0 - 14414 H2O 4133 H2O H1 3 0.423800 1.0079 0 - 14415 H2O 4133 H2O H2 3 0.423800 1.0079 0 - 14416 H2O 4134 H2O O1 4 -0.847600 15.9994 0 - 14417 H2O 4134 H2O H1 3 0.423800 1.0079 0 - 14418 H2O 4134 H2O H2 3 0.423800 1.0079 0 - 14419 H2O 4135 H2O O1 4 -0.847600 15.9994 0 - 14420 H2O 4135 H2O H1 3 0.423800 1.0079 0 - 14421 H2O 4135 H2O H2 3 0.423800 1.0079 0 - 14422 H2O 4136 H2O O1 4 -0.847600 15.9994 0 - 14423 H2O 4136 H2O H1 3 0.423800 1.0079 0 - 14424 H2O 4136 H2O H2 3 0.423800 1.0079 0 - 14425 H2O 4137 H2O O1 4 -0.847600 15.9994 0 - 14426 H2O 4137 H2O H1 3 0.423800 1.0079 0 - 14427 H2O 4137 H2O H2 3 0.423800 1.0079 0 - 14428 H2O 4138 H2O O1 4 -0.847600 15.9994 0 - 14429 H2O 4138 H2O H1 3 0.423800 1.0079 0 - 14430 H2O 4138 H2O H2 3 0.423800 1.0079 0 - 14431 H2O 4139 H2O O1 4 -0.847600 15.9994 0 - 14432 H2O 4139 H2O H1 3 0.423800 1.0079 0 - 14433 H2O 4139 H2O H2 3 0.423800 1.0079 0 - 14434 H2O 4140 H2O O1 4 -0.847600 15.9994 0 - 14435 H2O 4140 H2O H1 3 0.423800 1.0079 0 - 14436 H2O 4140 H2O H2 3 0.423800 1.0079 0 - 14437 H2O 4141 H2O O1 4 -0.847600 15.9994 0 - 14438 H2O 4141 H2O H1 3 0.423800 1.0079 0 - 14439 H2O 4141 H2O H2 3 0.423800 1.0079 0 - 14440 H2O 4142 H2O O1 4 -0.847600 15.9994 0 - 14441 H2O 4142 H2O H1 3 0.423800 1.0079 0 - 14442 H2O 4142 H2O H2 3 0.423800 1.0079 0 - 14443 H2O 4143 H2O O1 4 -0.847600 15.9994 0 - 14444 H2O 4143 H2O H1 3 0.423800 1.0079 0 - 14445 H2O 4143 H2O H2 3 0.423800 1.0079 0 - 14446 H2O 4144 H2O O1 4 -0.847600 15.9994 0 - 14447 H2O 4144 H2O H1 3 0.423800 1.0079 0 - 14448 H2O 4144 H2O H2 3 0.423800 1.0079 0 - 14449 H2O 4145 H2O O1 4 -0.847600 15.9994 0 - 14450 H2O 4145 H2O H1 3 0.423800 1.0079 0 - 14451 H2O 4145 H2O H2 3 0.423800 1.0079 0 - 14452 H2O 4146 H2O O1 4 -0.847600 15.9994 0 - 14453 H2O 4146 H2O H1 3 0.423800 1.0079 0 - 14454 H2O 4146 H2O H2 3 0.423800 1.0079 0 - 14455 H2O 4147 H2O O1 4 -0.847600 15.9994 0 - 14456 H2O 4147 H2O H1 3 0.423800 1.0079 0 - 14457 H2O 4147 H2O H2 3 0.423800 1.0079 0 - 14458 H2O 4148 H2O O1 4 -0.847600 15.9994 0 - 14459 H2O 4148 H2O H1 3 0.423800 1.0079 0 - 14460 H2O 4148 H2O H2 3 0.423800 1.0079 0 - 14461 H2O 4149 H2O O1 4 -0.847600 15.9994 0 - 14462 H2O 4149 H2O H1 3 0.423800 1.0079 0 - 14463 H2O 4149 H2O H2 3 0.423800 1.0079 0 - 14464 H2O 4150 H2O O1 4 -0.847600 15.9994 0 - 14465 H2O 4150 H2O H1 3 0.423800 1.0079 0 - 14466 H2O 4150 H2O H2 3 0.423800 1.0079 0 - 14467 H2O 4151 H2O O1 4 -0.847600 15.9994 0 - 14468 H2O 4151 H2O H1 3 0.423800 1.0079 0 - 14469 H2O 4151 H2O H2 3 0.423800 1.0079 0 - 14470 H2O 4152 H2O O1 4 -0.847600 15.9994 0 - 14471 H2O 4152 H2O H1 3 0.423800 1.0079 0 - 14472 H2O 4152 H2O H2 3 0.423800 1.0079 0 - 14473 H2O 4153 H2O O1 4 -0.847600 15.9994 0 - 14474 H2O 4153 H2O H1 3 0.423800 1.0079 0 - 14475 H2O 4153 H2O H2 3 0.423800 1.0079 0 - 14476 H2O 4154 H2O O1 4 -0.847600 15.9994 0 - 14477 H2O 4154 H2O H1 3 0.423800 1.0079 0 - 14478 H2O 4154 H2O H2 3 0.423800 1.0079 0 - 14479 H2O 4155 H2O O1 4 -0.847600 15.9994 0 - 14480 H2O 4155 H2O H1 3 0.423800 1.0079 0 - 14481 H2O 4155 H2O H2 3 0.423800 1.0079 0 - 14482 H2O 4156 H2O O1 4 -0.847600 15.9994 0 - 14483 H2O 4156 H2O H1 3 0.423800 1.0079 0 - 14484 H2O 4156 H2O H2 3 0.423800 1.0079 0 - 14485 H2O 4157 H2O O1 4 -0.847600 15.9994 0 - 14486 H2O 4157 H2O H1 3 0.423800 1.0079 0 - 14487 H2O 4157 H2O H2 3 0.423800 1.0079 0 - 14488 H2O 4158 H2O O1 4 -0.847600 15.9994 0 - 14489 H2O 4158 H2O H1 3 0.423800 1.0079 0 - 14490 H2O 4158 H2O H2 3 0.423800 1.0079 0 - 14491 H2O 4159 H2O O1 4 -0.847600 15.9994 0 - 14492 H2O 4159 H2O H1 3 0.423800 1.0079 0 - 14493 H2O 4159 H2O H2 3 0.423800 1.0079 0 - 14494 H2O 4160 H2O O1 4 -0.847600 15.9994 0 - 14495 H2O 4160 H2O H1 3 0.423800 1.0079 0 - 14496 H2O 4160 H2O H2 3 0.423800 1.0079 0 - 14497 H2O 4161 H2O O1 4 -0.847600 15.9994 0 - 14498 H2O 4161 H2O H1 3 0.423800 1.0079 0 - 14499 H2O 4161 H2O H2 3 0.423800 1.0079 0 - 14500 H2O 4162 H2O O1 4 -0.847600 15.9994 0 - 14501 H2O 4162 H2O H1 3 0.423800 1.0079 0 - 14502 H2O 4162 H2O H2 3 0.423800 1.0079 0 - 14503 H2O 4163 H2O O1 4 -0.847600 15.9994 0 - 14504 H2O 4163 H2O H1 3 0.423800 1.0079 0 - 14505 H2O 4163 H2O H2 3 0.423800 1.0079 0 - 14506 H2O 4164 H2O O1 4 -0.847600 15.9994 0 - 14507 H2O 4164 H2O H1 3 0.423800 1.0079 0 - 14508 H2O 4164 H2O H2 3 0.423800 1.0079 0 - 14509 H2O 4165 H2O O1 4 -0.847600 15.9994 0 - 14510 H2O 4165 H2O H1 3 0.423800 1.0079 0 - 14511 H2O 4165 H2O H2 3 0.423800 1.0079 0 - 14512 H2O 4166 H2O O1 4 -0.847600 15.9994 0 - 14513 H2O 4166 H2O H1 3 0.423800 1.0079 0 - 14514 H2O 4166 H2O H2 3 0.423800 1.0079 0 - 14515 H2O 4167 H2O O1 4 -0.847600 15.9994 0 - 14516 H2O 4167 H2O H1 3 0.423800 1.0079 0 - 14517 H2O 4167 H2O H2 3 0.423800 1.0079 0 - 14518 H2O 4168 H2O O1 4 -0.847600 15.9994 0 - 14519 H2O 4168 H2O H1 3 0.423800 1.0079 0 - 14520 H2O 4168 H2O H2 3 0.423800 1.0079 0 - 14521 H2O 4169 H2O O1 4 -0.847600 15.9994 0 - 14522 H2O 4169 H2O H1 3 0.423800 1.0079 0 - 14523 H2O 4169 H2O H2 3 0.423800 1.0079 0 - 14524 H2O 4170 H2O O1 4 -0.847600 15.9994 0 - 14525 H2O 4170 H2O H1 3 0.423800 1.0079 0 - 14526 H2O 4170 H2O H2 3 0.423800 1.0079 0 - 14527 H2O 4171 H2O O1 4 -0.847600 15.9994 0 - 14528 H2O 4171 H2O H1 3 0.423800 1.0079 0 - 14529 H2O 4171 H2O H2 3 0.423800 1.0079 0 - 14530 H2O 4172 H2O O1 4 -0.847600 15.9994 0 - 14531 H2O 4172 H2O H1 3 0.423800 1.0079 0 - 14532 H2O 4172 H2O H2 3 0.423800 1.0079 0 - 14533 H2O 4173 H2O O1 4 -0.847600 15.9994 0 - 14534 H2O 4173 H2O H1 3 0.423800 1.0079 0 - 14535 H2O 4173 H2O H2 3 0.423800 1.0079 0 - 14536 H2O 4174 H2O O1 4 -0.847600 15.9994 0 - 14537 H2O 4174 H2O H1 3 0.423800 1.0079 0 - 14538 H2O 4174 H2O H2 3 0.423800 1.0079 0 - 14539 H2O 4175 H2O O1 4 -0.847600 15.9994 0 - 14540 H2O 4175 H2O H1 3 0.423800 1.0079 0 - 14541 H2O 4175 H2O H2 3 0.423800 1.0079 0 - 14542 H2O 4176 H2O O1 4 -0.847600 15.9994 0 - 14543 H2O 4176 H2O H1 3 0.423800 1.0079 0 - 14544 H2O 4176 H2O H2 3 0.423800 1.0079 0 - 14545 H2O 4177 H2O O1 4 -0.847600 15.9994 0 - 14546 H2O 4177 H2O H1 3 0.423800 1.0079 0 - 14547 H2O 4177 H2O H2 3 0.423800 1.0079 0 - 14548 H2O 4178 H2O O1 4 -0.847600 15.9994 0 - 14549 H2O 4178 H2O H1 3 0.423800 1.0079 0 - 14550 H2O 4178 H2O H2 3 0.423800 1.0079 0 - 14551 H2O 4179 H2O O1 4 -0.847600 15.9994 0 - 14552 H2O 4179 H2O H1 3 0.423800 1.0079 0 - 14553 H2O 4179 H2O H2 3 0.423800 1.0079 0 - 14554 H2O 4180 H2O O1 4 -0.847600 15.9994 0 - 14555 H2O 4180 H2O H1 3 0.423800 1.0079 0 - 14556 H2O 4180 H2O H2 3 0.423800 1.0079 0 - 14557 H2O 4181 H2O O1 4 -0.847600 15.9994 0 - 14558 H2O 4181 H2O H1 3 0.423800 1.0079 0 - 14559 H2O 4181 H2O H2 3 0.423800 1.0079 0 - 14560 H2O 4182 H2O O1 4 -0.847600 15.9994 0 - 14561 H2O 4182 H2O H1 3 0.423800 1.0079 0 - 14562 H2O 4182 H2O H2 3 0.423800 1.0079 0 - 14563 H2O 4183 H2O O1 4 -0.847600 15.9994 0 - 14564 H2O 4183 H2O H1 3 0.423800 1.0079 0 - 14565 H2O 4183 H2O H2 3 0.423800 1.0079 0 - 14566 H2O 4184 H2O O1 4 -0.847600 15.9994 0 - 14567 H2O 4184 H2O H1 3 0.423800 1.0079 0 - 14568 H2O 4184 H2O H2 3 0.423800 1.0079 0 - 14569 H2O 4185 H2O O1 4 -0.847600 15.9994 0 - 14570 H2O 4185 H2O H1 3 0.423800 1.0079 0 - 14571 H2O 4185 H2O H2 3 0.423800 1.0079 0 - 14572 H2O 4186 H2O O1 4 -0.847600 15.9994 0 - 14573 H2O 4186 H2O H1 3 0.423800 1.0079 0 - 14574 H2O 4186 H2O H2 3 0.423800 1.0079 0 - 14575 H2O 4187 H2O O1 4 -0.847600 15.9994 0 - 14576 H2O 4187 H2O H1 3 0.423800 1.0079 0 - 14577 H2O 4187 H2O H2 3 0.423800 1.0079 0 - 14578 H2O 4188 H2O O1 4 -0.847600 15.9994 0 - 14579 H2O 4188 H2O H1 3 0.423800 1.0079 0 - 14580 H2O 4188 H2O H2 3 0.423800 1.0079 0 - 14581 H2O 4189 H2O O1 4 -0.847600 15.9994 0 - 14582 H2O 4189 H2O H1 3 0.423800 1.0079 0 - 14583 H2O 4189 H2O H2 3 0.423800 1.0079 0 - 14584 H2O 4190 H2O O1 4 -0.847600 15.9994 0 - 14585 H2O 4190 H2O H1 3 0.423800 1.0079 0 - 14586 H2O 4190 H2O H2 3 0.423800 1.0079 0 - 14587 H2O 4191 H2O O1 4 -0.847600 15.9994 0 - 14588 H2O 4191 H2O H1 3 0.423800 1.0079 0 - 14589 H2O 4191 H2O H2 3 0.423800 1.0079 0 - 14590 H2O 4192 H2O O1 4 -0.847600 15.9994 0 - 14591 H2O 4192 H2O H1 3 0.423800 1.0079 0 - 14592 H2O 4192 H2O H2 3 0.423800 1.0079 0 - 14593 H2O 4193 H2O O1 4 -0.847600 15.9994 0 - 14594 H2O 4193 H2O H1 3 0.423800 1.0079 0 - 14595 H2O 4193 H2O H2 3 0.423800 1.0079 0 - 14596 H2O 4194 H2O O1 4 -0.847600 15.9994 0 - 14597 H2O 4194 H2O H1 3 0.423800 1.0079 0 - 14598 H2O 4194 H2O H2 3 0.423800 1.0079 0 - 14599 H2O 4195 H2O O1 4 -0.847600 15.9994 0 - 14600 H2O 4195 H2O H1 3 0.423800 1.0079 0 - 14601 H2O 4195 H2O H2 3 0.423800 1.0079 0 - 14602 H2O 4196 H2O O1 4 -0.847600 15.9994 0 - 14603 H2O 4196 H2O H1 3 0.423800 1.0079 0 - 14604 H2O 4196 H2O H2 3 0.423800 1.0079 0 - 14605 H2O 4197 H2O O1 4 -0.847600 15.9994 0 - 14606 H2O 4197 H2O H1 3 0.423800 1.0079 0 - 14607 H2O 4197 H2O H2 3 0.423800 1.0079 0 - 14608 H2O 4198 H2O O1 4 -0.847600 15.9994 0 - 14609 H2O 4198 H2O H1 3 0.423800 1.0079 0 - 14610 H2O 4198 H2O H2 3 0.423800 1.0079 0 - 14611 H2O 4199 H2O O1 4 -0.847600 15.9994 0 - 14612 H2O 4199 H2O H1 3 0.423800 1.0079 0 - 14613 H2O 4199 H2O H2 3 0.423800 1.0079 0 - 14614 H2O 4200 H2O O1 4 -0.847600 15.9994 0 - 14615 H2O 4200 H2O H1 3 0.423800 1.0079 0 - 14616 H2O 4200 H2O H2 3 0.423800 1.0079 0 - 14617 H2O 4201 H2O O1 4 -0.847600 15.9994 0 - 14618 H2O 4201 H2O H1 3 0.423800 1.0079 0 - 14619 H2O 4201 H2O H2 3 0.423800 1.0079 0 - 14620 H2O 4202 H2O O1 4 -0.847600 15.9994 0 - 14621 H2O 4202 H2O H1 3 0.423800 1.0079 0 - 14622 H2O 4202 H2O H2 3 0.423800 1.0079 0 - 14623 H2O 4203 H2O O1 4 -0.847600 15.9994 0 - 14624 H2O 4203 H2O H1 3 0.423800 1.0079 0 - 14625 H2O 4203 H2O H2 3 0.423800 1.0079 0 - 14626 H2O 4204 H2O O1 4 -0.847600 15.9994 0 - 14627 H2O 4204 H2O H1 3 0.423800 1.0079 0 - 14628 H2O 4204 H2O H2 3 0.423800 1.0079 0 - 14629 H2O 4205 H2O O1 4 -0.847600 15.9994 0 - 14630 H2O 4205 H2O H1 3 0.423800 1.0079 0 - 14631 H2O 4205 H2O H2 3 0.423800 1.0079 0 - 14632 H2O 4206 H2O O1 4 -0.847600 15.9994 0 - 14633 H2O 4206 H2O H1 3 0.423800 1.0079 0 - 14634 H2O 4206 H2O H2 3 0.423800 1.0079 0 - 14635 H2O 4207 H2O O1 4 -0.847600 15.9994 0 - 14636 H2O 4207 H2O H1 3 0.423800 1.0079 0 - 14637 H2O 4207 H2O H2 3 0.423800 1.0079 0 - 14638 H2O 4208 H2O O1 4 -0.847600 15.9994 0 - 14639 H2O 4208 H2O H1 3 0.423800 1.0079 0 - 14640 H2O 4208 H2O H2 3 0.423800 1.0079 0 - 14641 H2O 4209 H2O O1 4 -0.847600 15.9994 0 - 14642 H2O 4209 H2O H1 3 0.423800 1.0079 0 - 14643 H2O 4209 H2O H2 3 0.423800 1.0079 0 - 14644 H2O 4210 H2O O1 4 -0.847600 15.9994 0 - 14645 H2O 4210 H2O H1 3 0.423800 1.0079 0 - 14646 H2O 4210 H2O H2 3 0.423800 1.0079 0 - 14647 H2O 4211 H2O O1 4 -0.847600 15.9994 0 - 14648 H2O 4211 H2O H1 3 0.423800 1.0079 0 - 14649 H2O 4211 H2O H2 3 0.423800 1.0079 0 - 14650 H2O 4212 H2O O1 4 -0.847600 15.9994 0 - 14651 H2O 4212 H2O H1 3 0.423800 1.0079 0 - 14652 H2O 4212 H2O H2 3 0.423800 1.0079 0 - 14653 H2O 4213 H2O O1 4 -0.847600 15.9994 0 - 14654 H2O 4213 H2O H1 3 0.423800 1.0079 0 - 14655 H2O 4213 H2O H2 3 0.423800 1.0079 0 - 14656 H2O 4214 H2O O1 4 -0.847600 15.9994 0 - 14657 H2O 4214 H2O H1 3 0.423800 1.0079 0 - 14658 H2O 4214 H2O H2 3 0.423800 1.0079 0 - 14659 H2O 4215 H2O O1 4 -0.847600 15.9994 0 - 14660 H2O 4215 H2O H1 3 0.423800 1.0079 0 - 14661 H2O 4215 H2O H2 3 0.423800 1.0079 0 - 14662 H2O 4216 H2O O1 4 -0.847600 15.9994 0 - 14663 H2O 4216 H2O H1 3 0.423800 1.0079 0 - 14664 H2O 4216 H2O H2 3 0.423800 1.0079 0 - 14665 H2O 4217 H2O O1 4 -0.847600 15.9994 0 - 14666 H2O 4217 H2O H1 3 0.423800 1.0079 0 - 14667 H2O 4217 H2O H2 3 0.423800 1.0079 0 - 14668 H2O 4218 H2O O1 4 -0.847600 15.9994 0 - 14669 H2O 4218 H2O H1 3 0.423800 1.0079 0 - 14670 H2O 4218 H2O H2 3 0.423800 1.0079 0 - 14671 H2O 4219 H2O O1 4 -0.847600 15.9994 0 - 14672 H2O 4219 H2O H1 3 0.423800 1.0079 0 - 14673 H2O 4219 H2O H2 3 0.423800 1.0079 0 - 14674 H2O 4220 H2O O1 4 -0.847600 15.9994 0 - 14675 H2O 4220 H2O H1 3 0.423800 1.0079 0 - 14676 H2O 4220 H2O H2 3 0.423800 1.0079 0 - 14677 H2O 4221 H2O O1 4 -0.847600 15.9994 0 - 14678 H2O 4221 H2O H1 3 0.423800 1.0079 0 - 14679 H2O 4221 H2O H2 3 0.423800 1.0079 0 - 14680 H2O 4222 H2O O1 4 -0.847600 15.9994 0 - 14681 H2O 4222 H2O H1 3 0.423800 1.0079 0 - 14682 H2O 4222 H2O H2 3 0.423800 1.0079 0 - 14683 H2O 4223 H2O O1 4 -0.847600 15.9994 0 - 14684 H2O 4223 H2O H1 3 0.423800 1.0079 0 - 14685 H2O 4223 H2O H2 3 0.423800 1.0079 0 - 14686 H2O 4224 H2O O1 4 -0.847600 15.9994 0 - 14687 H2O 4224 H2O H1 3 0.423800 1.0079 0 - 14688 H2O 4224 H2O H2 3 0.423800 1.0079 0 - 14689 H2O 4225 H2O O1 4 -0.847600 15.9994 0 - 14690 H2O 4225 H2O H1 3 0.423800 1.0079 0 - 14691 H2O 4225 H2O H2 3 0.423800 1.0079 0 - 14692 H2O 4226 H2O O1 4 -0.847600 15.9994 0 - 14693 H2O 4226 H2O H1 3 0.423800 1.0079 0 - 14694 H2O 4226 H2O H2 3 0.423800 1.0079 0 - 14695 H2O 4227 H2O O1 4 -0.847600 15.9994 0 - 14696 H2O 4227 H2O H1 3 0.423800 1.0079 0 - 14697 H2O 4227 H2O H2 3 0.423800 1.0079 0 - 14698 H2O 4228 H2O O1 4 -0.847600 15.9994 0 - 14699 H2O 4228 H2O H1 3 0.423800 1.0079 0 - 14700 H2O 4228 H2O H2 3 0.423800 1.0079 0 - 14701 H2O 4229 H2O O1 4 -0.847600 15.9994 0 - 14702 H2O 4229 H2O H1 3 0.423800 1.0079 0 - 14703 H2O 4229 H2O H2 3 0.423800 1.0079 0 - 14704 H2O 4230 H2O O1 4 -0.847600 15.9994 0 - 14705 H2O 4230 H2O H1 3 0.423800 1.0079 0 - 14706 H2O 4230 H2O H2 3 0.423800 1.0079 0 - 14707 H2O 4231 H2O O1 4 -0.847600 15.9994 0 - 14708 H2O 4231 H2O H1 3 0.423800 1.0079 0 - 14709 H2O 4231 H2O H2 3 0.423800 1.0079 0 - 14710 H2O 4232 H2O O1 4 -0.847600 15.9994 0 - 14711 H2O 4232 H2O H1 3 0.423800 1.0079 0 - 14712 H2O 4232 H2O H2 3 0.423800 1.0079 0 - 14713 H2O 4233 H2O O1 4 -0.847600 15.9994 0 - 14714 H2O 4233 H2O H1 3 0.423800 1.0079 0 - 14715 H2O 4233 H2O H2 3 0.423800 1.0079 0 - 14716 H2O 4234 H2O O1 4 -0.847600 15.9994 0 - 14717 H2O 4234 H2O H1 3 0.423800 1.0079 0 - 14718 H2O 4234 H2O H2 3 0.423800 1.0079 0 - 14719 H2O 4235 H2O O1 4 -0.847600 15.9994 0 - 14720 H2O 4235 H2O H1 3 0.423800 1.0079 0 - 14721 H2O 4235 H2O H2 3 0.423800 1.0079 0 - 14722 H2O 4236 H2O O1 4 -0.847600 15.9994 0 - 14723 H2O 4236 H2O H1 3 0.423800 1.0079 0 - 14724 H2O 4236 H2O H2 3 0.423800 1.0079 0 - 14725 H2O 4237 H2O O1 4 -0.847600 15.9994 0 - 14726 H2O 4237 H2O H1 3 0.423800 1.0079 0 - 14727 H2O 4237 H2O H2 3 0.423800 1.0079 0 - 14728 H2O 4238 H2O O1 4 -0.847600 15.9994 0 - 14729 H2O 4238 H2O H1 3 0.423800 1.0079 0 - 14730 H2O 4238 H2O H2 3 0.423800 1.0079 0 - 14731 H2O 4239 H2O O1 4 -0.847600 15.9994 0 - 14732 H2O 4239 H2O H1 3 0.423800 1.0079 0 - 14733 H2O 4239 H2O H2 3 0.423800 1.0079 0 - 14734 H2O 4240 H2O O1 4 -0.847600 15.9994 0 - 14735 H2O 4240 H2O H1 3 0.423800 1.0079 0 - 14736 H2O 4240 H2O H2 3 0.423800 1.0079 0 - 14737 H2O 4241 H2O O1 4 -0.847600 15.9994 0 - 14738 H2O 4241 H2O H1 3 0.423800 1.0079 0 - 14739 H2O 4241 H2O H2 3 0.423800 1.0079 0 - 14740 H2O 4242 H2O O1 4 -0.847600 15.9994 0 - 14741 H2O 4242 H2O H1 3 0.423800 1.0079 0 - 14742 H2O 4242 H2O H2 3 0.423800 1.0079 0 - 14743 H2O 4243 H2O O1 4 -0.847600 15.9994 0 - 14744 H2O 4243 H2O H1 3 0.423800 1.0079 0 - 14745 H2O 4243 H2O H2 3 0.423800 1.0079 0 - 14746 H2O 4244 H2O O1 4 -0.847600 15.9994 0 - 14747 H2O 4244 H2O H1 3 0.423800 1.0079 0 - 14748 H2O 4244 H2O H2 3 0.423800 1.0079 0 - 14749 H2O 4245 H2O O1 4 -0.847600 15.9994 0 - 14750 H2O 4245 H2O H1 3 0.423800 1.0079 0 - 14751 H2O 4245 H2O H2 3 0.423800 1.0079 0 - 14752 H2O 4246 H2O O1 4 -0.847600 15.9994 0 - 14753 H2O 4246 H2O H1 3 0.423800 1.0079 0 - 14754 H2O 4246 H2O H2 3 0.423800 1.0079 0 - 14755 H2O 4247 H2O O1 4 -0.847600 15.9994 0 - 14756 H2O 4247 H2O H1 3 0.423800 1.0079 0 - 14757 H2O 4247 H2O H2 3 0.423800 1.0079 0 - 14758 H2O 4248 H2O O1 4 -0.847600 15.9994 0 - 14759 H2O 4248 H2O H1 3 0.423800 1.0079 0 - 14760 H2O 4248 H2O H2 3 0.423800 1.0079 0 - 14761 H2O 4249 H2O O1 4 -0.847600 15.9994 0 - 14762 H2O 4249 H2O H1 3 0.423800 1.0079 0 - 14763 H2O 4249 H2O H2 3 0.423800 1.0079 0 - 14764 H2O 4250 H2O O1 4 -0.847600 15.9994 0 - 14765 H2O 4250 H2O H1 3 0.423800 1.0079 0 - 14766 H2O 4250 H2O H2 3 0.423800 1.0079 0 - 14767 H2O 4251 H2O O1 4 -0.847600 15.9994 0 - 14768 H2O 4251 H2O H1 3 0.423800 1.0079 0 - 14769 H2O 4251 H2O H2 3 0.423800 1.0079 0 - 14770 H2O 4252 H2O O1 4 -0.847600 15.9994 0 - 14771 H2O 4252 H2O H1 3 0.423800 1.0079 0 - 14772 H2O 4252 H2O H2 3 0.423800 1.0079 0 - 14773 H2O 4253 H2O O1 4 -0.847600 15.9994 0 - 14774 H2O 4253 H2O H1 3 0.423800 1.0079 0 - 14775 H2O 4253 H2O H2 3 0.423800 1.0079 0 - 14776 H2O 4254 H2O O1 4 -0.847600 15.9994 0 - 14777 H2O 4254 H2O H1 3 0.423800 1.0079 0 - 14778 H2O 4254 H2O H2 3 0.423800 1.0079 0 - 14779 H2O 4255 H2O O1 4 -0.847600 15.9994 0 - 14780 H2O 4255 H2O H1 3 0.423800 1.0079 0 - 14781 H2O 4255 H2O H2 3 0.423800 1.0079 0 - 14782 H2O 4256 H2O O1 4 -0.847600 15.9994 0 - 14783 H2O 4256 H2O H1 3 0.423800 1.0079 0 - 14784 H2O 4256 H2O H2 3 0.423800 1.0079 0 - 14785 H2O 4257 H2O O1 4 -0.847600 15.9994 0 - 14786 H2O 4257 H2O H1 3 0.423800 1.0079 0 - 14787 H2O 4257 H2O H2 3 0.423800 1.0079 0 - 14788 H2O 4258 H2O O1 4 -0.847600 15.9994 0 - 14789 H2O 4258 H2O H1 3 0.423800 1.0079 0 - 14790 H2O 4258 H2O H2 3 0.423800 1.0079 0 - 14791 H2O 4259 H2O O1 4 -0.847600 15.9994 0 - 14792 H2O 4259 H2O H1 3 0.423800 1.0079 0 - 14793 H2O 4259 H2O H2 3 0.423800 1.0079 0 - 14794 H2O 4260 H2O O1 4 -0.847600 15.9994 0 - 14795 H2O 4260 H2O H1 3 0.423800 1.0079 0 - 14796 H2O 4260 H2O H2 3 0.423800 1.0079 0 - 14797 H2O 4261 H2O O1 4 -0.847600 15.9994 0 - 14798 H2O 4261 H2O H1 3 0.423800 1.0079 0 - 14799 H2O 4261 H2O H2 3 0.423800 1.0079 0 - 14800 H2O 4262 H2O O1 4 -0.847600 15.9994 0 - 14801 H2O 4262 H2O H1 3 0.423800 1.0079 0 - 14802 H2O 4262 H2O H2 3 0.423800 1.0079 0 - 14803 H2O 4263 H2O O1 4 -0.847600 15.9994 0 - 14804 H2O 4263 H2O H1 3 0.423800 1.0079 0 - 14805 H2O 4263 H2O H2 3 0.423800 1.0079 0 - 14806 H2O 4264 H2O O1 4 -0.847600 15.9994 0 - 14807 H2O 4264 H2O H1 3 0.423800 1.0079 0 - 14808 H2O 4264 H2O H2 3 0.423800 1.0079 0 - 14809 H2O 4265 H2O O1 4 -0.847600 15.9994 0 - 14810 H2O 4265 H2O H1 3 0.423800 1.0079 0 - 14811 H2O 4265 H2O H2 3 0.423800 1.0079 0 - 14812 H2O 4266 H2O O1 4 -0.847600 15.9994 0 - 14813 H2O 4266 H2O H1 3 0.423800 1.0079 0 - 14814 H2O 4266 H2O H2 3 0.423800 1.0079 0 - 14815 H2O 4267 H2O O1 4 -0.847600 15.9994 0 - 14816 H2O 4267 H2O H1 3 0.423800 1.0079 0 - 14817 H2O 4267 H2O H2 3 0.423800 1.0079 0 - 14818 H2O 4268 H2O O1 4 -0.847600 15.9994 0 - 14819 H2O 4268 H2O H1 3 0.423800 1.0079 0 - 14820 H2O 4268 H2O H2 3 0.423800 1.0079 0 - 14821 H2O 4269 H2O O1 4 -0.847600 15.9994 0 - 14822 H2O 4269 H2O H1 3 0.423800 1.0079 0 - 14823 H2O 4269 H2O H2 3 0.423800 1.0079 0 - 14824 H2O 4270 H2O O1 4 -0.847600 15.9994 0 - 14825 H2O 4270 H2O H1 3 0.423800 1.0079 0 - 14826 H2O 4270 H2O H2 3 0.423800 1.0079 0 - 14827 H2O 4271 H2O O1 4 -0.847600 15.9994 0 - 14828 H2O 4271 H2O H1 3 0.423800 1.0079 0 - 14829 H2O 4271 H2O H2 3 0.423800 1.0079 0 - 14830 H2O 4272 H2O O1 4 -0.847600 15.9994 0 - 14831 H2O 4272 H2O H1 3 0.423800 1.0079 0 - 14832 H2O 4272 H2O H2 3 0.423800 1.0079 0 - 14833 H2O 4273 H2O O1 4 -0.847600 15.9994 0 - 14834 H2O 4273 H2O H1 3 0.423800 1.0079 0 - 14835 H2O 4273 H2O H2 3 0.423800 1.0079 0 - 14836 H2O 4274 H2O O1 4 -0.847600 15.9994 0 - 14837 H2O 4274 H2O H1 3 0.423800 1.0079 0 - 14838 H2O 4274 H2O H2 3 0.423800 1.0079 0 - 14839 H2O 4275 H2O O1 4 -0.847600 15.9994 0 - 14840 H2O 4275 H2O H1 3 0.423800 1.0079 0 - 14841 H2O 4275 H2O H2 3 0.423800 1.0079 0 - 14842 H2O 4276 H2O O1 4 -0.847600 15.9994 0 - 14843 H2O 4276 H2O H1 3 0.423800 1.0079 0 - 14844 H2O 4276 H2O H2 3 0.423800 1.0079 0 - 14845 H2O 4277 H2O O1 4 -0.847600 15.9994 0 - 14846 H2O 4277 H2O H1 3 0.423800 1.0079 0 - 14847 H2O 4277 H2O H2 3 0.423800 1.0079 0 - 14848 H2O 4278 H2O O1 4 -0.847600 15.9994 0 - 14849 H2O 4278 H2O H1 3 0.423800 1.0079 0 - 14850 H2O 4278 H2O H2 3 0.423800 1.0079 0 - 14851 H2O 4279 H2O O1 4 -0.847600 15.9994 0 - 14852 H2O 4279 H2O H1 3 0.423800 1.0079 0 - 14853 H2O 4279 H2O H2 3 0.423800 1.0079 0 - 14854 H2O 4280 H2O O1 4 -0.847600 15.9994 0 - 14855 H2O 4280 H2O H1 3 0.423800 1.0079 0 - 14856 H2O 4280 H2O H2 3 0.423800 1.0079 0 - 14857 H2O 4281 H2O O1 4 -0.847600 15.9994 0 - 14858 H2O 4281 H2O H1 3 0.423800 1.0079 0 - 14859 H2O 4281 H2O H2 3 0.423800 1.0079 0 - 14860 H2O 4282 H2O O1 4 -0.847600 15.9994 0 - 14861 H2O 4282 H2O H1 3 0.423800 1.0079 0 - 14862 H2O 4282 H2O H2 3 0.423800 1.0079 0 - 14863 H2O 4283 H2O O1 4 -0.847600 15.9994 0 - 14864 H2O 4283 H2O H1 3 0.423800 1.0079 0 - 14865 H2O 4283 H2O H2 3 0.423800 1.0079 0 - 14866 H2O 4284 H2O O1 4 -0.847600 15.9994 0 - 14867 H2O 4284 H2O H1 3 0.423800 1.0079 0 - 14868 H2O 4284 H2O H2 3 0.423800 1.0079 0 - 14869 H2O 4285 H2O O1 4 -0.847600 15.9994 0 - 14870 H2O 4285 H2O H1 3 0.423800 1.0079 0 - 14871 H2O 4285 H2O H2 3 0.423800 1.0079 0 - 14872 H2O 4286 H2O O1 4 -0.847600 15.9994 0 - 14873 H2O 4286 H2O H1 3 0.423800 1.0079 0 - 14874 H2O 4286 H2O H2 3 0.423800 1.0079 0 - 14875 H2O 4287 H2O O1 4 -0.847600 15.9994 0 - 14876 H2O 4287 H2O H1 3 0.423800 1.0079 0 - 14877 H2O 4287 H2O H2 3 0.423800 1.0079 0 - 14878 H2O 4288 H2O O1 4 -0.847600 15.9994 0 - 14879 H2O 4288 H2O H1 3 0.423800 1.0079 0 - 14880 H2O 4288 H2O H2 3 0.423800 1.0079 0 - 14881 H2O 4289 H2O O1 4 -0.847600 15.9994 0 - 14882 H2O 4289 H2O H1 3 0.423800 1.0079 0 - 14883 H2O 4289 H2O H2 3 0.423800 1.0079 0 - 14884 H2O 4290 H2O O1 4 -0.847600 15.9994 0 - 14885 H2O 4290 H2O H1 3 0.423800 1.0079 0 - 14886 H2O 4290 H2O H2 3 0.423800 1.0079 0 - 14887 H2O 4291 H2O O1 4 -0.847600 15.9994 0 - 14888 H2O 4291 H2O H1 3 0.423800 1.0079 0 - 14889 H2O 4291 H2O H2 3 0.423800 1.0079 0 - 14890 H2O 4292 H2O O1 4 -0.847600 15.9994 0 - 14891 H2O 4292 H2O H1 3 0.423800 1.0079 0 - 14892 H2O 4292 H2O H2 3 0.423800 1.0079 0 - 14893 H2O 4293 H2O O1 4 -0.847600 15.9994 0 - 14894 H2O 4293 H2O H1 3 0.423800 1.0079 0 - 14895 H2O 4293 H2O H2 3 0.423800 1.0079 0 - 14896 H2O 4294 H2O O1 4 -0.847600 15.9994 0 - 14897 H2O 4294 H2O H1 3 0.423800 1.0079 0 - 14898 H2O 4294 H2O H2 3 0.423800 1.0079 0 - 14899 H2O 4295 H2O O1 4 -0.847600 15.9994 0 - 14900 H2O 4295 H2O H1 3 0.423800 1.0079 0 - 14901 H2O 4295 H2O H2 3 0.423800 1.0079 0 - 14902 H2O 4296 H2O O1 4 -0.847600 15.9994 0 - 14903 H2O 4296 H2O H1 3 0.423800 1.0079 0 - 14904 H2O 4296 H2O H2 3 0.423800 1.0079 0 - 14905 H2O 4297 H2O O1 4 -0.847600 15.9994 0 - 14906 H2O 4297 H2O H1 3 0.423800 1.0079 0 - 14907 H2O 4297 H2O H2 3 0.423800 1.0079 0 - 14908 H2O 4298 H2O O1 4 -0.847600 15.9994 0 - 14909 H2O 4298 H2O H1 3 0.423800 1.0079 0 - 14910 H2O 4298 H2O H2 3 0.423800 1.0079 0 - 14911 H2O 4299 H2O O1 4 -0.847600 15.9994 0 - 14912 H2O 4299 H2O H1 3 0.423800 1.0079 0 - 14913 H2O 4299 H2O H2 3 0.423800 1.0079 0 - 14914 H2O 4300 H2O O1 4 -0.847600 15.9994 0 - 14915 H2O 4300 H2O H1 3 0.423800 1.0079 0 - 14916 H2O 4300 H2O H2 3 0.423800 1.0079 0 - 14917 H2O 4301 H2O O1 4 -0.847600 15.9994 0 - 14918 H2O 4301 H2O H1 3 0.423800 1.0079 0 - 14919 H2O 4301 H2O H2 3 0.423800 1.0079 0 - 14920 H2O 4302 H2O O1 4 -0.847600 15.9994 0 - 14921 H2O 4302 H2O H1 3 0.423800 1.0079 0 - 14922 H2O 4302 H2O H2 3 0.423800 1.0079 0 - 14923 H2O 4303 H2O O1 4 -0.847600 15.9994 0 - 14924 H2O 4303 H2O H1 3 0.423800 1.0079 0 - 14925 H2O 4303 H2O H2 3 0.423800 1.0079 0 - 14926 H2O 4304 H2O O1 4 -0.847600 15.9994 0 - 14927 H2O 4304 H2O H1 3 0.423800 1.0079 0 - 14928 H2O 4304 H2O H2 3 0.423800 1.0079 0 - 14929 H2O 4305 H2O O1 4 -0.847600 15.9994 0 - 14930 H2O 4305 H2O H1 3 0.423800 1.0079 0 - 14931 H2O 4305 H2O H2 3 0.423800 1.0079 0 - 14932 H2O 4306 H2O O1 4 -0.847600 15.9994 0 - 14933 H2O 4306 H2O H1 3 0.423800 1.0079 0 - 14934 H2O 4306 H2O H2 3 0.423800 1.0079 0 - 14935 H2O 4307 H2O O1 4 -0.847600 15.9994 0 - 14936 H2O 4307 H2O H1 3 0.423800 1.0079 0 - 14937 H2O 4307 H2O H2 3 0.423800 1.0079 0 - 14938 H2O 4308 H2O O1 4 -0.847600 15.9994 0 - 14939 H2O 4308 H2O H1 3 0.423800 1.0079 0 - 14940 H2O 4308 H2O H2 3 0.423800 1.0079 0 - 14941 H2O 4309 H2O O1 4 -0.847600 15.9994 0 - 14942 H2O 4309 H2O H1 3 0.423800 1.0079 0 - 14943 H2O 4309 H2O H2 3 0.423800 1.0079 0 - 14944 H2O 4310 H2O O1 4 -0.847600 15.9994 0 - 14945 H2O 4310 H2O H1 3 0.423800 1.0079 0 - 14946 H2O 4310 H2O H2 3 0.423800 1.0079 0 - 14947 H2O 4311 H2O O1 4 -0.847600 15.9994 0 - 14948 H2O 4311 H2O H1 3 0.423800 1.0079 0 - 14949 H2O 4311 H2O H2 3 0.423800 1.0079 0 - 14950 H2O 4312 H2O O1 4 -0.847600 15.9994 0 - 14951 H2O 4312 H2O H1 3 0.423800 1.0079 0 - 14952 H2O 4312 H2O H2 3 0.423800 1.0079 0 - 14953 H2O 4313 H2O O1 4 -0.847600 15.9994 0 - 14954 H2O 4313 H2O H1 3 0.423800 1.0079 0 - 14955 H2O 4313 H2O H2 3 0.423800 1.0079 0 - 14956 H2O 4314 H2O O1 4 -0.847600 15.9994 0 - 14957 H2O 4314 H2O H1 3 0.423800 1.0079 0 - 14958 H2O 4314 H2O H2 3 0.423800 1.0079 0 - 14959 H2O 4315 H2O O1 4 -0.847600 15.9994 0 - 14960 H2O 4315 H2O H1 3 0.423800 1.0079 0 - 14961 H2O 4315 H2O H2 3 0.423800 1.0079 0 - 14962 H2O 4316 H2O O1 4 -0.847600 15.9994 0 - 14963 H2O 4316 H2O H1 3 0.423800 1.0079 0 - 14964 H2O 4316 H2O H2 3 0.423800 1.0079 0 - 14965 H2O 4317 H2O O1 4 -0.847600 15.9994 0 - 14966 H2O 4317 H2O H1 3 0.423800 1.0079 0 - 14967 H2O 4317 H2O H2 3 0.423800 1.0079 0 - 14968 H2O 4318 H2O O1 4 -0.847600 15.9994 0 - 14969 H2O 4318 H2O H1 3 0.423800 1.0079 0 - 14970 H2O 4318 H2O H2 3 0.423800 1.0079 0 - 14971 H2O 4319 H2O O1 4 -0.847600 15.9994 0 - 14972 H2O 4319 H2O H1 3 0.423800 1.0079 0 - 14973 H2O 4319 H2O H2 3 0.423800 1.0079 0 - 14974 H2O 4320 H2O O1 4 -0.847600 15.9994 0 - 14975 H2O 4320 H2O H1 3 0.423800 1.0079 0 - 14976 H2O 4320 H2O H2 3 0.423800 1.0079 0 - 14977 H2O 4321 H2O O1 4 -0.847600 15.9994 0 - 14978 H2O 4321 H2O H1 3 0.423800 1.0079 0 - 14979 H2O 4321 H2O H2 3 0.423800 1.0079 0 - 14980 H2O 4322 H2O O1 4 -0.847600 15.9994 0 - 14981 H2O 4322 H2O H1 3 0.423800 1.0079 0 - 14982 H2O 4322 H2O H2 3 0.423800 1.0079 0 - 14983 H2O 4323 H2O O1 4 -0.847600 15.9994 0 - 14984 H2O 4323 H2O H1 3 0.423800 1.0079 0 - 14985 H2O 4323 H2O H2 3 0.423800 1.0079 0 - 14986 H2O 4324 H2O O1 4 -0.847600 15.9994 0 - 14987 H2O 4324 H2O H1 3 0.423800 1.0079 0 - 14988 H2O 4324 H2O H2 3 0.423800 1.0079 0 - 14989 H2O 4325 H2O O1 4 -0.847600 15.9994 0 - 14990 H2O 4325 H2O H1 3 0.423800 1.0079 0 - 14991 H2O 4325 H2O H2 3 0.423800 1.0079 0 - 14992 H2O 4326 H2O O1 4 -0.847600 15.9994 0 - 14993 H2O 4326 H2O H1 3 0.423800 1.0079 0 - 14994 H2O 4326 H2O H2 3 0.423800 1.0079 0 - 14995 H2O 4327 H2O O1 4 -0.847600 15.9994 0 - 14996 H2O 4327 H2O H1 3 0.423800 1.0079 0 - 14997 H2O 4327 H2O H2 3 0.423800 1.0079 0 - 14998 H2O 4328 H2O O1 4 -0.847600 15.9994 0 - 14999 H2O 4328 H2O H1 3 0.423800 1.0079 0 - 15000 H2O 4328 H2O H2 3 0.423800 1.0079 0 - 15001 H2O 4329 H2O O1 4 -0.847600 15.9994 0 - 15002 H2O 4329 H2O H1 3 0.423800 1.0079 0 - 15003 H2O 4329 H2O H2 3 0.423800 1.0079 0 - 15004 H2O 4330 H2O O1 4 -0.847600 15.9994 0 - 15005 H2O 4330 H2O H1 3 0.423800 1.0079 0 - 15006 H2O 4330 H2O H2 3 0.423800 1.0079 0 - 15007 H2O 4331 H2O O1 4 -0.847600 15.9994 0 - 15008 H2O 4331 H2O H1 3 0.423800 1.0079 0 - 15009 H2O 4331 H2O H2 3 0.423800 1.0079 0 - - 8662 !NBOND: bonds - 2017 2019 2017 2018 2020 2022 2020 2021 - 2023 2025 2023 2024 2026 2028 2026 2027 - 2029 2031 2029 2030 2032 2034 2032 2033 - 2035 2037 2035 2036 2038 2040 2038 2039 - 2041 2043 2041 2042 2044 2046 2044 2045 - 2047 2049 2047 2048 2050 2052 2050 2051 - 2053 2055 2053 2054 2056 2058 2056 2057 - 2059 2061 2059 2060 2062 2064 2062 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2208 2206 2207 - 2209 2211 2209 2210 2212 2214 2212 2213 - 2215 2217 2215 2216 2218 2220 2218 2219 - 2221 2223 2221 2222 2224 2226 2224 2225 - 2227 2229 2227 2228 2230 2232 2230 2231 - 2233 2235 2233 2234 2236 2238 2236 2237 - 2239 2241 2239 2240 2242 2244 2242 2243 - 2245 2247 2245 2246 2248 2250 2248 2249 - 2251 2253 2251 2252 2254 2256 2254 2255 - 2257 2259 2257 2258 2260 2262 2260 2261 - 2263 2265 2263 2264 2266 2268 2266 2267 - 2269 2271 2269 2270 2272 2274 2272 2273 - 2275 2277 2275 2276 2278 2280 2278 2279 - 2281 2283 2281 2282 2284 2286 2284 2285 - 2287 2289 2287 2288 2290 2292 2290 2291 - 2293 2295 2293 2294 2296 2298 2296 2297 - 2299 2301 2299 2300 2302 2304 2302 2303 - 2305 2307 2305 2306 2308 2310 2308 2309 - 2311 2313 2311 2312 2314 2316 2314 2315 - 2317 2319 2317 2318 2320 2322 2320 2321 - 2323 2325 2323 2324 2326 2328 2326 2327 - 2329 2331 2329 2330 2332 2334 2332 2333 - 2335 2337 2335 2336 2338 2340 2338 2339 - 2341 2343 2341 2342 2344 2346 2344 2345 - 2347 2349 2347 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14775 14777 14776 14778 - 14780 14779 14781 14783 14782 14784 14786 14785 14787 - 14789 14788 14790 14792 14791 14793 14795 14794 14796 - 14798 14797 14799 14801 14800 14802 14804 14803 14805 - 14807 14806 14808 14810 14809 14811 14813 14812 14814 - 14816 14815 14817 14819 14818 14820 14822 14821 14823 - 14825 14824 14826 14828 14827 14829 14831 14830 14832 - 14834 14833 14835 14837 14836 14838 14840 14839 14841 - 14843 14842 14844 14846 14845 14847 14849 14848 14850 - 14852 14851 14853 14855 14854 14856 14858 14857 14859 - 14861 14860 14862 14864 14863 14865 14867 14866 14868 - 14870 14869 14871 14873 14872 14874 14876 14875 14877 - 14879 14878 14880 14882 14881 14883 14885 14884 14886 - 14888 14887 14889 14891 14890 14892 14894 14893 14895 - 14897 14896 14898 14900 14899 14901 14903 14902 14904 - 14906 14905 14907 14909 14908 14910 14912 14911 14913 - 14915 14914 14916 14918 14917 14919 14921 14920 14922 - 14924 14923 14925 14927 14926 14928 14930 14929 14931 - 14933 14932 14934 14936 14935 14937 14939 14938 14940 - 14942 14941 14943 14945 14944 14946 14948 14947 14949 - 14951 14950 14952 14954 14953 14955 14957 14956 14958 - 14960 14959 14961 14963 14962 14964 14966 14965 14967 - 14969 14968 14970 14972 14971 14973 14975 14974 14976 - 14978 14977 14979 14981 14980 14982 14984 14983 14985 - 14987 14986 14988 14990 14989 14991 14993 14992 14994 - 14996 14995 14997 14999 14998 15000 15002 15001 15003 - 15005 15004 15006 15008 15007 15009 - - 0 !NPHI: dihedrals - - diff --git a/simulations/equilb_boxes/3x3x1.0nm_3-layer/gomc/u_n_3769/wp_eq_10A.sh b/simulations/equilb_boxes/3x3x1.0nm_3-layer/gomc/u_n_3769/wp_eq_10A.sh deleted file mode 100644 index 8880313..0000000 --- a/simulations/equilb_boxes/3x3x1.0nm_3-layer/gomc/u_n_3769/wp_eq_10A.sh +++ /dev/null @@ -1,21 +0,0 @@ -#!/bin/bash - -#SBATCH --job-name 10A_equil -#SBATCH -q primary -#SBATCH -N 1 -#SBATCH -n 8 -#SBATCH --mem=16G -#SBATCH --constraint=intel -#SBATCH --mail-type=ALL -#SBATCH --mail-user=bc118@wayne.edu -#SBATCH -o output_%j.out -#SBATCH -e errors_%j.err -#SBATCH -t 336:0:0 - -echo "Running on host" hostname -echo "Time is" date -module swap gnu7/7.3.0 intel/2019 - -cd /wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/equilb_boxes/3x3x1.0nm_3-layer/gomc/u_n_3769 - -/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC +p8 slit_water_GCMC.conf > slit_water_GCMC.dat diff --git a/simulations/equilb_boxes/3x3x1.6nm_3-layer/gomc/u_n_3769/Output_data_BOX_0_restart.pdb b/simulations/equilb_boxes/3x3x1.6nm_3-layer/gomc/u_n_3769/Output_data_BOX_0_restart.pdb deleted file mode 100644 index 2ecd484..0000000 --- a/simulations/equilb_boxes/3x3x1.6nm_3-layer/gomc/u_n_3769/Output_data_BOX_0_restart.pdb +++ /dev/null @@ -1,3183 +0,0 @@ -REMARK GOMC 4.960 0.66904 0.000 50000000 -CRYST1 29.472 29.777 32.750 90.00 90.00 90.00 P 1 1 -ATOM 1 C1 TOP A 1 15.350 15.597 10.050 0.00 1.00 -ATOM 2 C2 TOP A 1 15.350 15.597 13.400 0.00 1.00 -ATOM 3 C3 TOP A 1 15.350 15.597 16.750 0.00 1.00 -ATOM 4 C4 TOP A 1 14.122 17.724 10.050 0.00 1.00 -ATOM 5 C5 TOP A 1 14.122 17.724 13.400 0.00 1.00 -ATOM 6 C6 TOP A 1 14.122 17.724 16.750 0.00 1.00 -ATOM 7 C7 TOP A 1 12.894 19.851 10.050 0.00 1.00 -ATOM 8 C8 TOP A 1 12.894 19.851 13.400 0.00 1.00 -ATOM 9 C9 TOP A 1 12.894 19.851 16.750 0.00 1.00 -ATOM 10 CA TOP A 1 11.666 21.978 10.050 0.00 1.00 -ATOM 11 CB TOP A 1 11.666 21.978 13.400 0.00 1.00 -ATOM 12 CC TOP A 1 11.666 21.978 16.750 0.00 1.00 -ATOM 13 CD TOP A 1 10.438 24.105 10.050 0.00 1.00 -ATOM 14 CE TOP A 1 10.438 24.105 13.400 0.00 1.00 -ATOM 15 CF TOP A 1 10.438 24.105 16.750 0.00 1.00 -ATOM 16 CG TOP A 1 9.210 26.232 10.050 0.00 1.00 -ATOM 17 CH TOP A 1 9.210 26.232 13.400 0.00 1.00 -ATOM 18 CI TOP A 1 9.210 26.232 16.750 0.00 1.00 -ATOM 19 CJ TOP A 1 7.982 28.359 10.050 0.00 1.00 -ATOM 20 CK TOP A 1 7.982 28.359 13.400 0.00 1.00 -ATOM 21 CL TOP A 1 7.982 28.359 16.750 0.00 1.00 -ATOM 22 CM TOP A 1 6.754 0.709 10.050 0.00 1.00 -ATOM 23 CN TOP A 1 6.754 0.709 13.400 0.00 1.00 -ATOM 24 CO TOP A 1 6.754 0.709 16.750 0.00 1.00 -ATOM 25 CP TOP A 1 5.526 2.836 10.050 0.00 1.00 -ATOM 26 CQ TOP A 1 5.526 2.836 13.400 0.00 1.00 -ATOM 27 CR TOP A 1 5.526 2.836 16.750 0.00 1.00 -ATOM 28 CS TOP A 1 4.298 4.963 10.050 0.00 1.00 -ATOM 29 CT TOP A 1 4.298 4.963 13.400 0.00 1.00 -ATOM 30 CU TOP A 1 4.298 4.963 16.750 0.00 1.00 -ATOM 31 CV TOP A 1 3.070 7.090 10.050 0.00 1.00 -ATOM 32 CW TOP A 1 3.070 7.090 13.400 0.00 1.00 -ATOM 33 CX TOP A 1 3.070 7.090 16.750 0.00 1.00 -ATOM 34 CY TOP A 1 1.842 9.217 10.050 0.00 1.00 -ATOM 35 CZ TOP A 1 1.842 9.217 13.400 0.00 1.00 -ATOM 36 Ca TOP A 1 1.842 9.217 16.750 0.00 1.00 -ATOM 37 Cb TOP A 1 0.614 11.344 10.050 0.00 1.00 -ATOM 38 Cc TOP A 1 0.614 11.344 13.400 0.00 1.00 -ATOM 39 Cd TOP A 1 0.614 11.344 16.750 0.00 1.00 -ATOM 40 Ce TOP A 1 28.858 13.471 10.050 0.00 1.00 -ATOM 41 Cf TOP A 1 28.858 13.471 13.400 0.00 1.00 -ATOM 42 Cg TOP A 1 28.858 13.471 16.750 0.00 1.00 -ATOM 43 Ch TOP A 1 17.806 15.597 10.050 0.00 1.00 -ATOM 44 Ci TOP A 1 17.806 15.597 13.400 0.00 1.00 -ATOM 45 Cj TOP A 1 17.806 15.597 16.750 0.00 1.00 -ATOM 46 Ck TOP A 1 16.578 17.724 10.050 0.00 1.00 -ATOM 47 Cl TOP A 1 16.578 17.724 13.400 0.00 1.00 -ATOM 48 Cm TOP A 1 16.578 17.724 16.750 0.00 1.00 -ATOM 49 Cn TOP A 1 15.350 19.851 10.050 0.00 1.00 -ATOM 50 Co TOP A 1 15.350 19.851 13.400 0.00 1.00 -ATOM 51 Cp TOP A 1 15.350 19.851 16.750 0.00 1.00 -ATOM 52 Cq TOP A 1 14.122 21.978 10.050 0.00 1.00 -ATOM 53 Cr TOP A 1 14.122 21.978 13.400 0.00 1.00 -ATOM 54 Cs TOP A 1 14.122 21.978 16.750 0.00 1.00 -ATOM 55 Ct TOP A 1 12.894 24.105 10.050 0.00 1.00 -ATOM 56 Cu TOP A 1 12.894 24.105 13.400 0.00 1.00 -ATOM 57 Cv TOP A 1 12.894 24.105 16.750 0.00 1.00 -ATOM 58 Cw TOP A 1 11.666 26.232 10.050 0.00 1.00 -ATOM 59 Cx TOP A 1 11.666 26.232 13.400 0.00 1.00 -ATOM 60 Cy TOP A 1 11.666 26.232 16.750 0.00 1.00 -ATOM 61 Cz TOP A 1 10.438 28.359 10.050 0.00 1.00 -ATOM 62 C10 TOP A 1 10.438 28.359 13.400 0.00 1.00 -ATOM 63 C11 TOP A 1 10.438 28.359 16.750 0.00 1.00 -ATOM 64 C12 TOP A 1 9.210 0.709 10.050 0.00 1.00 -ATOM 65 C13 TOP A 1 9.210 0.709 13.400 0.00 1.00 -ATOM 66 C14 TOP A 1 9.210 0.709 16.750 0.00 1.00 -ATOM 67 C15 TOP A 1 7.982 2.836 10.050 0.00 1.00 -ATOM 68 C16 TOP A 1 7.982 2.836 13.400 0.00 1.00 -ATOM 69 C17 TOP A 1 7.982 2.836 16.750 0.00 1.00 -ATOM 70 C18 TOP A 1 6.754 4.963 10.050 0.00 1.00 -ATOM 71 C19 TOP A 1 6.754 4.963 13.400 0.00 1.00 -ATOM 72 C1A TOP A 1 6.754 4.963 16.750 0.00 1.00 -ATOM 73 C1B TOP A 1 5.526 7.090 10.050 0.00 1.00 -ATOM 74 C1C TOP A 1 5.526 7.090 13.400 0.00 1.00 -ATOM 75 C1D TOP A 1 5.526 7.090 16.750 0.00 1.00 -ATOM 76 C1E TOP A 1 4.298 9.217 10.050 0.00 1.00 -ATOM 77 C1F TOP A 1 4.298 9.217 13.400 0.00 1.00 -ATOM 78 C1G TOP A 1 4.298 9.217 16.750 0.00 1.00 -ATOM 79 C1H TOP A 1 3.070 11.344 10.050 0.00 1.00 -ATOM 80 C1I TOP A 1 3.070 11.344 13.400 0.00 1.00 -ATOM 81 C1J TOP A 1 3.070 11.344 16.750 0.00 1.00 -ATOM 82 C1K TOP A 1 1.842 13.471 10.050 0.00 1.00 -ATOM 83 C1L TOP A 1 1.842 13.471 13.400 0.00 1.00 -ATOM 84 C1M TOP A 1 1.842 13.471 16.750 0.00 1.00 -ATOM 85 C1N TOP A 1 20.262 15.597 10.050 0.00 1.00 -ATOM 86 C1O TOP A 1 20.262 15.597 13.400 0.00 1.00 -ATOM 87 C1P TOP A 1 20.262 15.597 16.750 0.00 1.00 -ATOM 88 C1Q TOP A 1 19.034 17.724 10.050 0.00 1.00 -ATOM 89 C1R TOP A 1 19.034 17.724 13.400 0.00 1.00 -ATOM 90 C1S TOP A 1 19.034 17.724 16.750 0.00 1.00 -ATOM 91 C1T TOP A 1 17.806 19.851 10.050 0.00 1.00 -ATOM 92 C1U TOP A 1 17.806 19.851 13.400 0.00 1.00 -ATOM 93 C1V TOP A 1 17.806 19.851 16.750 0.00 1.00 -ATOM 94 C1W TOP A 1 16.578 21.978 10.050 0.00 1.00 -ATOM 95 C1X TOP A 1 16.578 21.978 13.400 0.00 1.00 -ATOM 96 C1Y TOP A 1 16.578 21.978 16.750 0.00 1.00 -ATOM 97 C1Z TOP A 1 15.350 24.105 10.050 0.00 1.00 -ATOM 98 C1a TOP A 1 15.350 24.105 13.400 0.00 1.00 -ATOM 99 C1b TOP A 1 15.350 24.105 16.750 0.00 1.00 -ATOM 100 C1c TOP A 1 14.122 26.232 10.050 0.00 1.00 -ATOM 101 C1d TOP A 1 14.122 26.232 13.400 0.00 1.00 -ATOM 102 C1e TOP A 1 14.122 26.232 16.750 0.00 1.00 -ATOM 103 C1f TOP A 1 12.894 28.359 10.050 0.00 1.00 -ATOM 104 C1g TOP A 1 12.894 28.359 13.400 0.00 1.00 -ATOM 105 C1h TOP A 1 12.894 28.359 16.750 0.00 1.00 -ATOM 106 C1i TOP A 1 11.666 0.709 10.050 0.00 1.00 -ATOM 107 C1j TOP A 1 11.666 0.709 13.400 0.00 1.00 -ATOM 108 C1k TOP A 1 11.666 0.709 16.750 0.00 1.00 -ATOM 109 C1l TOP A 1 10.438 2.836 10.050 0.00 1.00 -ATOM 110 C1m TOP A 1 10.438 2.836 13.400 0.00 1.00 -ATOM 111 C1n TOP A 1 10.438 2.836 16.750 0.00 1.00 -ATOM 112 C1o TOP A 1 9.210 4.963 10.050 0.00 1.00 -ATOM 113 C1p TOP A 1 9.210 4.963 13.400 0.00 1.00 -ATOM 114 C1q TOP A 1 9.210 4.963 16.750 0.00 1.00 -ATOM 115 C1r TOP A 1 7.982 7.090 10.050 0.00 1.00 -ATOM 116 C1s TOP A 1 7.982 7.090 13.400 0.00 1.00 -ATOM 117 C1t TOP A 1 7.982 7.090 16.750 0.00 1.00 -ATOM 118 C1u TOP A 1 6.754 9.217 10.050 0.00 1.00 -ATOM 119 C1v TOP A 1 6.754 9.217 13.400 0.00 1.00 -ATOM 120 C1w TOP A 1 6.754 9.217 16.750 0.00 1.00 -ATOM 121 C1x TOP A 1 5.526 11.344 10.050 0.00 1.00 -ATOM 122 C1y TOP A 1 5.526 11.344 13.400 0.00 1.00 -ATOM 123 C1z TOP A 1 5.526 11.344 16.750 0.00 1.00 -ATOM 124 C20 TOP A 1 4.298 13.471 10.050 0.00 1.00 -ATOM 125 C21 TOP A 1 4.298 13.471 13.400 0.00 1.00 -ATOM 126 C22 TOP A 1 4.298 13.471 16.750 0.00 1.00 -ATOM 127 C23 TOP A 1 22.718 15.597 10.050 0.00 1.00 -ATOM 128 C24 TOP A 1 22.718 15.597 13.400 0.00 1.00 -ATOM 129 C25 TOP A 1 22.718 15.597 16.750 0.00 1.00 -ATOM 130 C26 TOP A 1 21.490 17.724 10.050 0.00 1.00 -ATOM 131 C27 TOP A 1 21.490 17.724 13.400 0.00 1.00 -ATOM 132 C28 TOP A 1 21.490 17.724 16.750 0.00 1.00 -ATOM 133 C29 TOP A 1 20.262 19.851 10.050 0.00 1.00 -ATOM 134 C2A TOP A 1 20.262 19.851 13.400 0.00 1.00 -ATOM 135 C2B TOP A 1 20.262 19.851 16.750 0.00 1.00 -ATOM 136 C2C TOP A 1 19.034 21.978 10.050 0.00 1.00 -ATOM 137 C2D TOP A 1 19.034 21.978 13.400 0.00 1.00 -ATOM 138 C2E TOP A 1 19.034 21.978 16.750 0.00 1.00 -ATOM 139 C2F TOP A 1 17.806 24.105 10.050 0.00 1.00 -ATOM 140 C2G TOP A 1 17.806 24.105 13.400 0.00 1.00 -ATOM 141 C2H TOP A 1 17.806 24.105 16.750 0.00 1.00 -ATOM 142 C2I TOP A 1 16.578 26.232 10.050 0.00 1.00 -ATOM 143 C2J TOP A 1 16.578 26.232 13.400 0.00 1.00 -ATOM 144 C2K TOP A 1 16.578 26.232 16.750 0.00 1.00 -ATOM 145 C2L TOP A 1 15.350 28.359 10.050 0.00 1.00 -ATOM 146 C2M TOP A 1 15.350 28.359 13.400 0.00 1.00 -ATOM 147 C2N TOP A 1 15.350 28.359 16.750 0.00 1.00 -ATOM 148 C2O TOP A 1 14.122 0.709 10.050 0.00 1.00 -ATOM 149 C2P TOP A 1 14.122 0.709 13.400 0.00 1.00 -ATOM 150 C2Q TOP A 1 14.122 0.709 16.750 0.00 1.00 -ATOM 151 C2R TOP A 1 12.894 2.836 10.050 0.00 1.00 -ATOM 152 C2S TOP A 1 12.894 2.836 13.400 0.00 1.00 -ATOM 153 C2T TOP A 1 12.894 2.836 16.750 0.00 1.00 -ATOM 154 C2U TOP A 1 11.666 4.963 10.050 0.00 1.00 -ATOM 155 C2V TOP A 1 11.666 4.963 13.400 0.00 1.00 -ATOM 156 C2W TOP A 1 11.666 4.963 16.750 0.00 1.00 -ATOM 157 C2X TOP A 1 10.438 7.090 10.050 0.00 1.00 -ATOM 158 C2Y TOP A 1 10.438 7.090 13.400 0.00 1.00 -ATOM 159 C2Z TOP A 1 10.438 7.090 16.750 0.00 1.00 -ATOM 160 C2a TOP A 1 9.210 9.217 10.050 0.00 1.00 -ATOM 161 C2b TOP A 1 9.210 9.217 13.400 0.00 1.00 -ATOM 162 C2c TOP A 1 9.210 9.217 16.750 0.00 1.00 -ATOM 163 C2d TOP A 1 7.982 11.344 10.050 0.00 1.00 -ATOM 164 C2e TOP A 1 7.982 11.344 13.400 0.00 1.00 -ATOM 165 C2f TOP A 1 7.982 11.344 16.750 0.00 1.00 -ATOM 166 C2g TOP A 1 6.754 13.471 10.050 0.00 1.00 -ATOM 167 C2h TOP A 1 6.754 13.471 13.400 0.00 1.00 -ATOM 168 C2i TOP A 1 6.754 13.471 16.750 0.00 1.00 -ATOM 169 C2j TOP A 1 25.174 15.597 10.050 0.00 1.00 -ATOM 170 C2k TOP A 1 25.174 15.597 13.400 0.00 1.00 -ATOM 171 C2l TOP A 1 25.174 15.597 16.750 0.00 1.00 -ATOM 172 C2m TOP A 1 23.946 17.724 10.050 0.00 1.00 -ATOM 173 C2n TOP A 1 23.946 17.724 13.400 0.00 1.00 -ATOM 174 C2o TOP A 1 23.946 17.724 16.750 0.00 1.00 -ATOM 175 C2p TOP A 1 22.718 19.851 10.050 0.00 1.00 -ATOM 176 C2q TOP A 1 22.718 19.851 13.400 0.00 1.00 -ATOM 177 C2r TOP A 1 22.718 19.851 16.750 0.00 1.00 -ATOM 178 C2s TOP A 1 21.490 21.978 10.050 0.00 1.00 -ATOM 179 C2t TOP A 1 21.490 21.978 13.400 0.00 1.00 -ATOM 180 C2u TOP A 1 21.490 21.978 16.750 0.00 1.00 -ATOM 181 C2v TOP A 1 20.262 24.105 10.050 0.00 1.00 -ATOM 182 C2w TOP A 1 20.262 24.105 13.400 0.00 1.00 -ATOM 183 C2x TOP A 1 20.262 24.105 16.750 0.00 1.00 -ATOM 184 C2y TOP A 1 19.034 26.232 10.050 0.00 1.00 -ATOM 185 C2z TOP A 1 19.034 26.232 13.400 0.00 1.00 -ATOM 186 C30 TOP A 1 19.034 26.232 16.750 0.00 1.00 -ATOM 187 C31 TOP A 1 17.806 28.359 10.050 0.00 1.00 -ATOM 188 C32 TOP A 1 17.806 28.359 13.400 0.00 1.00 -ATOM 189 C33 TOP A 1 17.806 28.359 16.750 0.00 1.00 -ATOM 190 C34 TOP A 1 16.578 0.709 10.050 0.00 1.00 -ATOM 191 C35 TOP A 1 16.578 0.709 13.400 0.00 1.00 -ATOM 192 C36 TOP A 1 16.578 0.709 16.750 0.00 1.00 -ATOM 193 C37 TOP A 1 15.350 2.836 10.050 0.00 1.00 -ATOM 194 C38 TOP A 1 15.350 2.836 13.400 0.00 1.00 -ATOM 195 C39 TOP A 1 15.350 2.836 16.750 0.00 1.00 -ATOM 196 C3A TOP A 1 14.122 4.963 10.050 0.00 1.00 -ATOM 197 C3B TOP A 1 14.122 4.963 13.400 0.00 1.00 -ATOM 198 C3C TOP A 1 14.122 4.963 16.750 0.00 1.00 -ATOM 199 C3D TOP A 1 12.894 7.090 10.050 0.00 1.00 -ATOM 200 C3E TOP A 1 12.894 7.090 13.400 0.00 1.00 -ATOM 201 C3F TOP A 1 12.894 7.090 16.750 0.00 1.00 -ATOM 202 C3G TOP A 1 11.666 9.217 10.050 0.00 1.00 -ATOM 203 C3H TOP A 1 11.666 9.217 13.400 0.00 1.00 -ATOM 204 C3I TOP A 1 11.666 9.217 16.750 0.00 1.00 -ATOM 205 C3J TOP A 1 10.438 11.344 10.050 0.00 1.00 -ATOM 206 C3K TOP A 1 10.438 11.344 13.400 0.00 1.00 -ATOM 207 C3L TOP A 1 10.438 11.344 16.750 0.00 1.00 -ATOM 208 C3M TOP A 1 9.210 13.471 10.050 0.00 1.00 -ATOM 209 C3N TOP A 1 9.210 13.471 13.400 0.00 1.00 -ATOM 210 C3O TOP A 1 9.210 13.471 16.750 0.00 1.00 -ATOM 211 C3P TOP A 1 27.630 15.597 10.050 0.00 1.00 -ATOM 212 C3Q TOP A 1 27.630 15.597 13.400 0.00 1.00 -ATOM 213 C3R TOP A 1 27.630 15.597 16.750 0.00 1.00 -ATOM 214 C3S TOP A 1 26.402 17.724 10.050 0.00 1.00 -ATOM 215 C3T TOP A 1 26.402 17.724 13.400 0.00 1.00 -ATOM 216 C3U TOP A 1 26.402 17.724 16.750 0.00 1.00 -ATOM 217 C3V TOP A 1 25.174 19.851 10.050 0.00 1.00 -ATOM 218 C3W TOP A 1 25.174 19.851 13.400 0.00 1.00 -ATOM 219 C3X TOP A 1 25.174 19.851 16.750 0.00 1.00 -ATOM 220 C3Y TOP A 1 23.946 21.978 10.050 0.00 1.00 -ATOM 221 C3Z TOP A 1 23.946 21.978 13.400 0.00 1.00 -ATOM 222 C3a TOP A 1 23.946 21.978 16.750 0.00 1.00 -ATOM 223 C3b TOP A 1 22.718 24.105 10.050 0.00 1.00 -ATOM 224 C3c TOP A 1 22.718 24.105 13.400 0.00 1.00 -ATOM 225 C3d TOP A 1 22.718 24.105 16.750 0.00 1.00 -ATOM 226 C3e TOP A 1 21.490 26.232 10.050 0.00 1.00 -ATOM 227 C3f TOP A 1 21.490 26.232 13.400 0.00 1.00 -ATOM 228 C3g TOP A 1 21.490 26.232 16.750 0.00 1.00 -ATOM 229 C3h TOP A 1 20.262 28.359 10.050 0.00 1.00 -ATOM 230 C3i TOP A 1 20.262 28.359 13.400 0.00 1.00 -ATOM 231 C3j TOP A 1 20.262 28.359 16.750 0.00 1.00 -ATOM 232 C3k TOP A 1 19.034 0.709 10.050 0.00 1.00 -ATOM 233 C3l TOP A 1 19.034 0.709 13.400 0.00 1.00 -ATOM 234 C3m TOP A 1 19.034 0.709 16.750 0.00 1.00 -ATOM 235 C3n TOP A 1 17.806 2.836 10.050 0.00 1.00 -ATOM 236 C3o TOP A 1 17.806 2.836 13.400 0.00 1.00 -ATOM 237 C3p TOP A 1 17.806 2.836 16.750 0.00 1.00 -ATOM 238 C3q TOP A 1 16.578 4.963 10.050 0.00 1.00 -ATOM 239 C3r TOP A 1 16.578 4.963 13.400 0.00 1.00 -ATOM 240 C3s TOP A 1 16.578 4.963 16.750 0.00 1.00 -ATOM 241 C3t TOP A 1 15.350 7.090 10.050 0.00 1.00 -ATOM 242 C3u TOP A 1 15.350 7.090 13.400 0.00 1.00 -ATOM 243 C3v TOP A 1 15.350 7.090 16.750 0.00 1.00 -ATOM 244 C3w TOP A 1 14.122 9.217 10.050 0.00 1.00 -ATOM 245 C3x TOP A 1 14.122 9.217 13.400 0.00 1.00 -ATOM 246 C3y TOP A 1 14.122 9.217 16.750 0.00 1.00 -ATOM 247 C3z TOP A 1 12.894 11.344 10.050 0.00 1.00 -ATOM 248 C40 TOP A 1 12.894 11.344 13.400 0.00 1.00 -ATOM 249 C41 TOP A 1 12.894 11.344 16.750 0.00 1.00 -ATOM 250 C42 TOP A 1 11.666 13.471 10.050 0.00 1.00 -ATOM 251 C43 TOP A 1 11.666 13.471 13.400 0.00 1.00 -ATOM 252 C44 TOP A 1 11.666 13.471 16.750 0.00 1.00 -ATOM 253 C45 TOP A 1 0.614 15.597 10.050 0.00 1.00 -ATOM 254 C46 TOP A 1 0.614 15.597 13.400 0.00 1.00 -ATOM 255 C47 TOP A 1 0.614 15.597 16.750 0.00 1.00 -ATOM 256 C48 TOP A 1 28.858 17.724 10.050 0.00 1.00 -ATOM 257 C49 TOP A 1 28.858 17.724 13.400 0.00 1.00 -ATOM 258 C4A TOP A 1 28.858 17.724 16.750 0.00 1.00 -ATOM 259 C4B TOP A 1 27.630 19.851 10.050 0.00 1.00 -ATOM 260 C4C TOP A 1 27.630 19.851 13.400 0.00 1.00 -ATOM 261 C4D TOP A 1 27.630 19.851 16.750 0.00 1.00 -ATOM 262 C4E TOP A 1 26.402 21.978 10.050 0.00 1.00 -ATOM 263 C4F TOP A 1 26.402 21.978 13.400 0.00 1.00 -ATOM 264 C4G TOP A 1 26.402 21.978 16.750 0.00 1.00 -ATOM 265 C4H TOP A 1 25.174 24.105 10.050 0.00 1.00 -ATOM 266 C4I TOP A 1 25.174 24.105 13.400 0.00 1.00 -ATOM 267 C4J TOP A 1 25.174 24.105 16.750 0.00 1.00 -ATOM 268 C4K TOP A 1 23.946 26.232 10.050 0.00 1.00 -ATOM 269 C4L TOP A 1 23.946 26.232 13.400 0.00 1.00 -ATOM 270 C4M TOP A 1 23.946 26.232 16.750 0.00 1.00 -ATOM 271 C4N TOP A 1 22.718 28.359 10.050 0.00 1.00 -ATOM 272 C4O TOP A 1 22.718 28.359 13.400 0.00 1.00 -ATOM 273 C4P TOP A 1 22.718 28.359 16.750 0.00 1.00 -ATOM 274 C4Q TOP A 1 21.490 0.709 10.050 0.00 1.00 -ATOM 275 C4R TOP A 1 21.490 0.709 13.400 0.00 1.00 -ATOM 276 C4S TOP A 1 21.490 0.709 16.750 0.00 1.00 -ATOM 277 C4T TOP A 1 20.262 2.836 10.050 0.00 1.00 -ATOM 278 C4U TOP A 1 20.262 2.836 13.400 0.00 1.00 -ATOM 279 C4V TOP A 1 20.262 2.836 16.750 0.00 1.00 -ATOM 280 C4W TOP A 1 19.034 4.963 10.050 0.00 1.00 -ATOM 281 C4X TOP A 1 19.034 4.963 13.400 0.00 1.00 -ATOM 282 C4Y TOP A 1 19.034 4.963 16.750 0.00 1.00 -ATOM 283 C4Z TOP A 1 17.806 7.090 10.050 0.00 1.00 -ATOM 284 C4a TOP A 1 17.806 7.090 13.400 0.00 1.00 -ATOM 285 C4b TOP A 1 17.806 7.090 16.750 0.00 1.00 -ATOM 286 C4c TOP A 1 16.578 9.217 10.050 0.00 1.00 -ATOM 287 C4d TOP A 1 16.578 9.217 13.400 0.00 1.00 -ATOM 288 C4e TOP A 1 16.578 9.217 16.750 0.00 1.00 -ATOM 289 C4f TOP A 1 15.350 11.344 10.050 0.00 1.00 -ATOM 290 C4g TOP A 1 15.350 11.344 13.400 0.00 1.00 -ATOM 291 C4h TOP A 1 15.350 11.344 16.750 0.00 1.00 -ATOM 292 C4i TOP A 1 14.122 13.471 10.050 0.00 1.00 -ATOM 293 C4j TOP A 1 14.122 13.471 13.400 0.00 1.00 -ATOM 294 C4k TOP A 1 14.122 13.471 16.750 0.00 1.00 -ATOM 295 C4l TOP A 1 3.070 15.597 10.050 0.00 1.00 -ATOM 296 C4m TOP A 1 3.070 15.597 13.400 0.00 1.00 -ATOM 297 C4n TOP A 1 3.070 15.597 16.750 0.00 1.00 -ATOM 298 C4o TOP A 1 1.842 17.724 10.050 0.00 1.00 -ATOM 299 C4p TOP A 1 1.842 17.724 13.400 0.00 1.00 -ATOM 300 C4q TOP A 1 1.842 17.724 16.750 0.00 1.00 -ATOM 301 C4r TOP A 1 0.614 19.851 10.050 0.00 1.00 -ATOM 302 C4s TOP A 1 0.614 19.851 13.400 0.00 1.00 -ATOM 303 C4t TOP A 1 0.614 19.851 16.750 0.00 1.00 -ATOM 304 C4u TOP A 1 28.858 21.978 10.050 0.00 1.00 -ATOM 305 C4v TOP A 1 28.858 21.978 13.400 0.00 1.00 -ATOM 306 C4w TOP A 1 28.858 21.978 16.750 0.00 1.00 -ATOM 307 C4x TOP A 1 27.630 24.105 10.050 0.00 1.00 -ATOM 308 C4y TOP A 1 27.630 24.105 13.400 0.00 1.00 -ATOM 309 C4z TOP A 1 27.630 24.105 16.750 0.00 1.00 -ATOM 310 C50 TOP A 1 26.402 26.232 10.050 0.00 1.00 -ATOM 311 C51 TOP A 1 26.402 26.232 13.400 0.00 1.00 -ATOM 312 C52 TOP A 1 26.402 26.232 16.750 0.00 1.00 -ATOM 313 C53 TOP A 1 25.174 28.359 10.050 0.00 1.00 -ATOM 314 C54 TOP A 1 25.174 28.359 13.400 0.00 1.00 -ATOM 315 C55 TOP A 1 25.174 28.359 16.750 0.00 1.00 -ATOM 316 C56 TOP A 1 23.946 0.709 10.050 0.00 1.00 -ATOM 317 C57 TOP A 1 23.946 0.709 13.400 0.00 1.00 -ATOM 318 C58 TOP A 1 23.946 0.709 16.750 0.00 1.00 -ATOM 319 C59 TOP A 1 22.718 2.836 10.050 0.00 1.00 -ATOM 320 C5A TOP A 1 22.718 2.836 13.400 0.00 1.00 -ATOM 321 C5B TOP A 1 22.718 2.836 16.750 0.00 1.00 -ATOM 322 C5C TOP A 1 21.490 4.963 10.050 0.00 1.00 -ATOM 323 C5D TOP A 1 21.490 4.963 13.400 0.00 1.00 -ATOM 324 C5E TOP A 1 21.490 4.963 16.750 0.00 1.00 -ATOM 325 C5F TOP A 1 20.262 7.090 10.050 0.00 1.00 -ATOM 326 C5G TOP A 1 20.262 7.090 13.400 0.00 1.00 -ATOM 327 C5H TOP A 1 20.262 7.090 16.750 0.00 1.00 -ATOM 328 C5I TOP A 1 19.034 9.217 10.050 0.00 1.00 -ATOM 329 C5J TOP A 1 19.034 9.217 13.400 0.00 1.00 -ATOM 330 C5K TOP A 1 19.034 9.217 16.750 0.00 1.00 -ATOM 331 C5L TOP A 1 17.806 11.344 10.050 0.00 1.00 -ATOM 332 C5M TOP A 1 17.806 11.344 13.400 0.00 1.00 -ATOM 333 C5N TOP A 1 17.806 11.344 16.750 0.00 1.00 -ATOM 334 C5O TOP A 1 16.578 13.471 10.050 0.00 1.00 -ATOM 335 C5P TOP A 1 16.578 13.471 13.400 0.00 1.00 -ATOM 336 C5Q TOP A 1 16.578 13.471 16.750 0.00 1.00 -ATOM 337 C5R TOP A 1 5.526 15.597 10.050 0.00 1.00 -ATOM 338 C5S TOP A 1 5.526 15.597 13.400 0.00 1.00 -ATOM 339 C5T TOP A 1 5.526 15.597 16.750 0.00 1.00 -ATOM 340 C5U TOP A 1 4.298 17.724 10.050 0.00 1.00 -ATOM 341 C5V TOP A 1 4.298 17.724 13.400 0.00 1.00 -ATOM 342 C5W TOP A 1 4.298 17.724 16.750 0.00 1.00 -ATOM 343 C5X TOP A 1 3.070 19.851 10.050 0.00 1.00 -ATOM 344 C5Y TOP A 1 3.070 19.851 13.400 0.00 1.00 -ATOM 345 C5Z TOP A 1 3.070 19.851 16.750 0.00 1.00 -ATOM 346 C5a TOP A 1 1.842 21.978 10.050 0.00 1.00 -ATOM 347 C5b TOP A 1 1.842 21.978 13.400 0.00 1.00 -ATOM 348 C5c TOP A 1 1.842 21.978 16.750 0.00 1.00 -ATOM 349 C5d TOP A 1 0.614 24.105 10.050 0.00 1.00 -ATOM 350 C5e TOP A 1 0.614 24.105 13.400 0.00 1.00 -ATOM 351 C5f TOP A 1 0.614 24.105 16.750 0.00 1.00 -ATOM 352 C5g TOP A 1 28.858 26.232 10.050 0.00 1.00 -ATOM 353 C5h TOP A 1 28.858 26.232 13.400 0.00 1.00 -ATOM 354 C5i TOP A 1 28.858 26.232 16.750 0.00 1.00 -ATOM 355 C5j TOP A 1 27.630 28.359 10.050 0.00 1.00 -ATOM 356 C5k TOP A 1 27.630 28.359 13.400 0.00 1.00 -ATOM 357 C5l TOP A 1 27.630 28.359 16.750 0.00 1.00 -ATOM 358 C5m TOP A 1 26.402 0.709 10.050 0.00 1.00 -ATOM 359 C5n TOP A 1 26.402 0.709 13.400 0.00 1.00 -ATOM 360 C5o TOP A 1 26.402 0.709 16.750 0.00 1.00 -ATOM 361 C5p TOP A 1 25.174 2.836 10.050 0.00 1.00 -ATOM 362 C5q TOP A 1 25.174 2.836 13.400 0.00 1.00 -ATOM 363 C5r TOP A 1 25.174 2.836 16.750 0.00 1.00 -ATOM 364 C5s TOP A 1 23.946 4.963 10.050 0.00 1.00 -ATOM 365 C5t TOP A 1 23.946 4.963 13.400 0.00 1.00 -ATOM 366 C5u TOP A 1 23.946 4.963 16.750 0.00 1.00 -ATOM 367 C5v TOP A 1 22.718 7.090 10.050 0.00 1.00 -ATOM 368 C5w TOP A 1 22.718 7.090 13.400 0.00 1.00 -ATOM 369 C5x TOP A 1 22.718 7.090 16.750 0.00 1.00 -ATOM 370 C5y TOP A 1 21.490 9.217 10.050 0.00 1.00 -ATOM 371 C5z TOP A 1 21.490 9.217 13.400 0.00 1.00 -ATOM 372 C60 TOP A 1 21.490 9.217 16.750 0.00 1.00 -ATOM 373 C61 TOP A 1 20.262 11.344 10.050 0.00 1.00 -ATOM 374 C62 TOP A 1 20.262 11.344 13.400 0.00 1.00 -ATOM 375 C63 TOP A 1 20.262 11.344 16.750 0.00 1.00 -ATOM 376 C64 TOP A 1 19.034 13.471 10.050 0.00 1.00 -ATOM 377 C65 TOP A 1 19.034 13.471 13.400 0.00 1.00 -ATOM 378 C66 TOP A 1 19.034 13.471 16.750 0.00 1.00 -ATOM 379 C67 TOP A 1 7.982 15.597 10.050 0.00 1.00 -ATOM 380 C68 TOP A 1 7.982 15.597 13.400 0.00 1.00 -ATOM 381 C69 TOP A 1 7.982 15.597 16.750 0.00 1.00 -ATOM 382 C6A TOP A 1 6.754 17.724 10.050 0.00 1.00 -ATOM 383 C6B TOP A 1 6.754 17.724 13.400 0.00 1.00 -ATOM 384 C6C TOP A 1 6.754 17.724 16.750 0.00 1.00 -ATOM 385 C6D TOP A 1 5.526 19.851 10.050 0.00 1.00 -ATOM 386 C6E TOP A 1 5.526 19.851 13.400 0.00 1.00 -ATOM 387 C6F TOP A 1 5.526 19.851 16.750 0.00 1.00 -ATOM 388 C6G TOP A 1 4.298 21.978 10.050 0.00 1.00 -ATOM 389 C6H TOP A 1 4.298 21.978 13.400 0.00 1.00 -ATOM 390 C6I TOP A 1 4.298 21.978 16.750 0.00 1.00 -ATOM 391 C6J TOP A 1 3.070 24.105 10.050 0.00 1.00 -ATOM 392 C6K TOP A 1 3.070 24.105 13.400 0.00 1.00 -ATOM 393 C6L TOP A 1 3.070 24.105 16.750 0.00 1.00 -ATOM 394 C6M TOP A 1 1.842 26.232 10.050 0.00 1.00 -ATOM 395 C6N TOP A 1 1.842 26.232 13.400 0.00 1.00 -ATOM 396 C6O TOP A 1 1.842 26.232 16.750 0.00 1.00 -ATOM 397 C6P TOP A 1 0.614 28.359 10.050 0.00 1.00 -ATOM 398 C6Q TOP A 1 0.614 28.359 13.400 0.00 1.00 -ATOM 399 C6R TOP A 1 0.614 28.359 16.750 0.00 1.00 -ATOM 400 C6S TOP A 1 28.858 0.709 10.050 0.00 1.00 -ATOM 401 C6T TOP A 1 28.858 0.709 13.400 0.00 1.00 -ATOM 402 C6U TOP A 1 28.858 0.709 16.750 0.00 1.00 -ATOM 403 C6V TOP A 1 27.630 2.836 10.050 0.00 1.00 -ATOM 404 C6W TOP A 1 27.630 2.836 13.400 0.00 1.00 -ATOM 405 C6X TOP A 1 27.630 2.836 16.750 0.00 1.00 -ATOM 406 C6Y TOP A 1 26.402 4.963 10.050 0.00 1.00 -ATOM 407 C6Z TOP A 1 26.402 4.963 13.400 0.00 1.00 -ATOM 408 C6a TOP A 1 26.402 4.963 16.750 0.00 1.00 -ATOM 409 C6b TOP A 1 25.174 7.090 10.050 0.00 1.00 -ATOM 410 C6c TOP A 1 25.174 7.090 13.400 0.00 1.00 -ATOM 411 C6d TOP A 1 25.174 7.090 16.750 0.00 1.00 -ATOM 412 C6e TOP A 1 23.946 9.217 10.050 0.00 1.00 -ATOM 413 C6f TOP A 1 23.946 9.217 13.400 0.00 1.00 -ATOM 414 C6g TOP A 1 23.946 9.217 16.750 0.00 1.00 -ATOM 415 C6h TOP A 1 22.718 11.344 10.050 0.00 1.00 -ATOM 416 C6i TOP A 1 22.718 11.344 13.400 0.00 1.00 -ATOM 417 C6j TOP A 1 22.718 11.344 16.750 0.00 1.00 -ATOM 418 C6k TOP A 1 21.490 13.471 10.050 0.00 1.00 -ATOM 419 C6l TOP A 1 21.490 13.471 13.400 0.00 1.00 -ATOM 420 C6m TOP A 1 21.490 13.471 16.750 0.00 1.00 -ATOM 421 C6n TOP A 1 10.438 15.597 10.050 0.00 1.00 -ATOM 422 C6o TOP A 1 10.438 15.597 13.400 0.00 1.00 -ATOM 423 C6p TOP A 1 10.438 15.597 16.750 0.00 1.00 -ATOM 424 C6q TOP A 1 9.210 17.724 10.050 0.00 1.00 -ATOM 425 C6r TOP A 1 9.210 17.724 13.400 0.00 1.00 -ATOM 426 C6s TOP A 1 9.210 17.724 16.750 0.00 1.00 -ATOM 427 C6t TOP A 1 7.982 19.851 10.050 0.00 1.00 -ATOM 428 C6u TOP A 1 7.982 19.851 13.400 0.00 1.00 -ATOM 429 C6v TOP A 1 7.982 19.851 16.750 0.00 1.00 -ATOM 430 C6w TOP A 1 6.754 21.978 10.050 0.00 1.00 -ATOM 431 C6x TOP A 1 6.754 21.978 13.400 0.00 1.00 -ATOM 432 C6y TOP A 1 6.754 21.978 16.750 0.00 1.00 -ATOM 433 C6z TOP A 1 5.526 24.105 10.050 0.00 1.00 -ATOM 434 C70 TOP A 1 5.526 24.105 13.400 0.00 1.00 -ATOM 435 C71 TOP A 1 5.526 24.105 16.750 0.00 1.00 -ATOM 436 C72 TOP A 1 4.298 26.232 10.050 0.00 1.00 -ATOM 437 C73 TOP A 1 4.298 26.232 13.400 0.00 1.00 -ATOM 438 C74 TOP A 1 4.298 26.232 16.750 0.00 1.00 -ATOM 439 C75 TOP A 1 3.070 28.359 10.050 0.00 1.00 -ATOM 440 C76 TOP A 1 3.070 28.359 13.400 0.00 1.00 -ATOM 441 C77 TOP A 1 3.070 28.359 16.750 0.00 1.00 -ATOM 442 C78 TOP A 1 1.842 0.709 10.050 0.00 1.00 -ATOM 443 C79 TOP A 1 1.842 0.709 13.400 0.00 1.00 -ATOM 444 C7A TOP A 1 1.842 0.709 16.750 0.00 1.00 -ATOM 445 C7B TOP A 1 0.614 2.836 10.050 0.00 1.00 -ATOM 446 C7C TOP A 1 0.614 2.836 13.400 0.00 1.00 -ATOM 447 C7D TOP A 1 0.614 2.836 16.750 0.00 1.00 -ATOM 448 C7E TOP A 1 28.858 4.963 10.050 0.00 1.00 -ATOM 449 C7F TOP A 1 28.858 4.963 13.400 0.00 1.00 -ATOM 450 C7G TOP A 1 28.858 4.963 16.750 0.00 1.00 -ATOM 451 C7H TOP A 1 27.630 7.090 10.050 0.00 1.00 -ATOM 452 C7I TOP A 1 27.630 7.090 13.400 0.00 1.00 -ATOM 453 C7J TOP A 1 27.630 7.090 16.750 0.00 1.00 -ATOM 454 C7K TOP A 1 26.402 9.217 10.050 0.00 1.00 -ATOM 455 C7L TOP A 1 26.402 9.217 13.400 0.00 1.00 -ATOM 456 C7M TOP A 1 26.402 9.217 16.750 0.00 1.00 -ATOM 457 C7N TOP A 1 25.174 11.344 10.050 0.00 1.00 -ATOM 458 C7O TOP A 1 25.174 11.344 13.400 0.00 1.00 -ATOM 459 C7P TOP A 1 25.174 11.344 16.750 0.00 1.00 -ATOM 460 C7Q TOP A 1 23.946 13.471 10.050 0.00 1.00 -ATOM 461 C7R TOP A 1 23.946 13.471 13.400 0.00 1.00 -ATOM 462 C7S TOP A 1 23.946 13.471 16.750 0.00 1.00 -ATOM 463 C7T TOP A 1 12.894 15.597 10.050 0.00 1.00 -ATOM 464 C7U TOP A 1 12.894 15.597 13.400 0.00 1.00 -ATOM 465 C7V TOP A 1 12.894 15.597 16.750 0.00 1.00 -ATOM 466 C7W TOP A 1 11.666 17.724 10.050 0.00 1.00 -ATOM 467 C7X TOP A 1 11.666 17.724 13.400 0.00 1.00 -ATOM 468 C7Y TOP A 1 11.666 17.724 16.750 0.00 1.00 -ATOM 469 C7Z TOP A 1 10.438 19.851 10.050 0.00 1.00 -ATOM 470 C7a TOP A 1 10.438 19.851 13.400 0.00 1.00 -ATOM 471 C7b TOP A 1 10.438 19.851 16.750 0.00 1.00 -ATOM 472 C7c TOP A 1 9.210 21.978 10.050 0.00 1.00 -ATOM 473 C7d TOP A 1 9.210 21.978 13.400 0.00 1.00 -ATOM 474 C7e TOP A 1 9.210 21.978 16.750 0.00 1.00 -ATOM 475 C7f TOP A 1 7.982 24.105 10.050 0.00 1.00 -ATOM 476 C7g TOP A 1 7.982 24.105 13.400 0.00 1.00 -ATOM 477 C7h TOP A 1 7.982 24.105 16.750 0.00 1.00 -ATOM 478 C7i TOP A 1 6.754 26.232 10.050 0.00 1.00 -ATOM 479 C7j TOP A 1 6.754 26.232 13.400 0.00 1.00 -ATOM 480 C7k TOP A 1 6.754 26.232 16.750 0.00 1.00 -ATOM 481 C7l TOP A 1 5.526 28.359 10.050 0.00 1.00 -ATOM 482 C7m TOP A 1 5.526 28.359 13.400 0.00 1.00 -ATOM 483 C7n TOP A 1 5.526 28.359 16.750 0.00 1.00 -ATOM 484 C7o TOP A 1 4.298 0.709 10.050 0.00 1.00 -ATOM 485 C7p TOP A 1 4.298 0.709 13.400 0.00 1.00 -ATOM 486 C7q TOP A 1 4.298 0.709 16.750 0.00 1.00 -ATOM 487 C7r TOP A 1 3.070 2.836 10.050 0.00 1.00 -ATOM 488 C7s TOP A 1 3.070 2.836 13.400 0.00 1.00 -ATOM 489 C7t TOP A 1 3.070 2.836 16.750 0.00 1.00 -ATOM 490 C7u TOP A 1 1.842 4.963 10.050 0.00 1.00 -ATOM 491 C7v TOP A 1 1.842 4.963 13.400 0.00 1.00 -ATOM 492 C7w TOP A 1 1.842 4.963 16.750 0.00 1.00 -ATOM 493 C7x TOP A 1 0.614 7.090 10.050 0.00 1.00 -ATOM 494 C7y TOP A 1 0.614 7.090 13.400 0.00 1.00 -ATOM 495 C7z TOP A 1 0.614 7.090 16.750 0.00 1.00 -ATOM 496 C80 TOP A 1 28.858 9.217 10.050 0.00 1.00 -ATOM 497 C81 TOP A 1 28.858 9.217 13.400 0.00 1.00 -ATOM 498 C82 TOP A 1 28.858 9.217 16.750 0.00 1.00 -ATOM 499 C83 TOP A 1 27.630 11.344 10.050 0.00 1.00 -ATOM 500 C84 TOP A 1 27.630 11.344 13.400 0.00 1.00 -ATOM 501 C85 TOP A 1 27.630 11.344 16.750 0.00 1.00 -ATOM 502 C86 TOP A 1 26.402 13.471 10.050 0.00 1.00 -ATOM 503 C87 TOP A 1 26.402 13.471 13.400 0.00 1.00 -ATOM 504 C88 TOP A 1 26.402 13.471 16.750 0.00 1.00 -ATOM 505 C89 TOP A 1 16.578 16.306 10.050 0.00 1.00 -ATOM 506 C8A TOP A 1 16.578 16.306 13.400 0.00 1.00 -ATOM 507 C8B TOP A 1 16.578 16.306 16.750 0.00 1.00 -ATOM 508 C8C TOP A 1 15.350 18.433 10.050 0.00 1.00 -ATOM 509 C8D TOP A 1 15.350 18.433 13.400 0.00 1.00 -ATOM 510 C8E TOP A 1 15.350 18.433 16.750 0.00 1.00 -ATOM 511 C8F TOP A 1 14.122 20.560 10.050 0.00 1.00 -ATOM 512 C8G TOP A 1 14.122 20.560 13.400 0.00 1.00 -ATOM 513 C8H TOP A 1 14.122 20.560 16.750 0.00 1.00 -ATOM 514 C8I TOP A 1 12.894 22.687 10.050 0.00 1.00 -ATOM 515 C8J TOP A 1 12.894 22.687 13.400 0.00 1.00 -ATOM 516 C8K TOP A 1 12.894 22.687 16.750 0.00 1.00 -ATOM 517 C8L TOP A 1 11.666 24.814 10.050 0.00 1.00 -ATOM 518 C8M TOP A 1 11.666 24.814 13.400 0.00 1.00 -ATOM 519 C8N TOP A 1 11.666 24.814 16.750 0.00 1.00 -ATOM 520 C8O TOP A 1 10.438 26.941 10.050 0.00 1.00 -ATOM 521 C8P TOP A 1 10.438 26.941 13.400 0.00 1.00 -ATOM 522 C8Q TOP A 1 10.438 26.941 16.750 0.00 1.00 -ATOM 523 C8R TOP A 1 9.210 29.068 10.050 0.00 1.00 -ATOM 524 C8S TOP A 1 9.210 29.068 13.400 0.00 1.00 -ATOM 525 C8T TOP A 1 9.210 29.068 16.750 0.00 1.00 -ATOM 526 C8U TOP A 1 7.982 1.418 10.050 0.00 1.00 -ATOM 527 C8V TOP A 1 7.982 1.418 13.400 0.00 1.00 -ATOM 528 C8W TOP A 1 7.982 1.418 16.750 0.00 1.00 -ATOM 529 C8X TOP A 1 6.754 3.545 10.050 0.00 1.00 -ATOM 530 C8Y TOP A 1 6.754 3.545 13.400 0.00 1.00 -ATOM 531 C8Z TOP A 1 6.754 3.545 16.750 0.00 1.00 -ATOM 532 C8a TOP A 1 5.526 5.672 10.050 0.00 1.00 -ATOM 533 C8b TOP A 1 5.526 5.672 13.400 0.00 1.00 -ATOM 534 C8c TOP A 1 5.526 5.672 16.750 0.00 1.00 -ATOM 535 C8d TOP A 1 4.298 7.799 10.050 0.00 1.00 -ATOM 536 C8e TOP A 1 4.298 7.799 13.400 0.00 1.00 -ATOM 537 C8f TOP A 1 4.298 7.799 16.750 0.00 1.00 -ATOM 538 C8g TOP A 1 3.070 9.926 10.050 0.00 1.00 -ATOM 539 C8h TOP A 1 3.070 9.926 13.400 0.00 1.00 -ATOM 540 C8i TOP A 1 3.070 9.926 16.750 0.00 1.00 -ATOM 541 C8j TOP A 1 1.842 12.053 10.050 0.00 1.00 -ATOM 542 C8k TOP A 1 1.842 12.053 13.400 0.00 1.00 -ATOM 543 C8l TOP A 1 1.842 12.053 16.750 0.00 1.00 -ATOM 544 C8m TOP A 1 0.614 14.180 10.050 0.00 1.00 -ATOM 545 C8n TOP A 1 0.614 14.180 13.400 0.00 1.00 -ATOM 546 C8o TOP A 1 0.614 14.180 16.750 0.00 1.00 -ATOM 547 C8p TOP A 1 19.034 16.306 10.050 0.00 1.00 -ATOM 548 C8q TOP A 1 19.034 16.306 13.400 0.00 1.00 -ATOM 549 C8r TOP A 1 19.034 16.306 16.750 0.00 1.00 -ATOM 550 C8s TOP A 1 17.806 18.433 10.050 0.00 1.00 -ATOM 551 C8t TOP A 1 17.806 18.433 13.400 0.00 1.00 -ATOM 552 C8u TOP A 1 17.806 18.433 16.750 0.00 1.00 -ATOM 553 C8v TOP A 1 16.578 20.560 10.050 0.00 1.00 -ATOM 554 C8w TOP A 1 16.578 20.560 13.400 0.00 1.00 -ATOM 555 C8x TOP A 1 16.578 20.560 16.750 0.00 1.00 -ATOM 556 C8y TOP A 1 15.350 22.687 10.050 0.00 1.00 -ATOM 557 C8z TOP A 1 15.350 22.687 13.400 0.00 1.00 -ATOM 558 C90 TOP A 1 15.350 22.687 16.750 0.00 1.00 -ATOM 559 C91 TOP A 1 14.122 24.814 10.050 0.00 1.00 -ATOM 560 C92 TOP A 1 14.122 24.814 13.400 0.00 1.00 -ATOM 561 C93 TOP A 1 14.122 24.814 16.750 0.00 1.00 -ATOM 562 C94 TOP A 1 12.894 26.941 10.050 0.00 1.00 -ATOM 563 C95 TOP A 1 12.894 26.941 13.400 0.00 1.00 -ATOM 564 C96 TOP A 1 12.894 26.941 16.750 0.00 1.00 -ATOM 565 C97 TOP A 1 11.666 29.068 10.050 0.00 1.00 -ATOM 566 C98 TOP A 1 11.666 29.068 13.400 0.00 1.00 -ATOM 567 C99 TOP A 1 11.666 29.068 16.750 0.00 1.00 -ATOM 568 C9A TOP A 1 10.438 1.418 10.050 0.00 1.00 -ATOM 569 C9B TOP A 1 10.438 1.418 13.400 0.00 1.00 -ATOM 570 C9C TOP A 1 10.438 1.418 16.750 0.00 1.00 -ATOM 571 C9D TOP A 1 9.210 3.545 10.050 0.00 1.00 -ATOM 572 C9E TOP A 1 9.210 3.545 13.400 0.00 1.00 -ATOM 573 C9F TOP A 1 9.210 3.545 16.750 0.00 1.00 -ATOM 574 C9G TOP A 1 7.982 5.672 10.050 0.00 1.00 -ATOM 575 C9H TOP A 1 7.982 5.672 13.400 0.00 1.00 -ATOM 576 C9I TOP A 1 7.982 5.672 16.750 0.00 1.00 -ATOM 577 C9J TOP A 1 6.754 7.799 10.050 0.00 1.00 -ATOM 578 C9K TOP A 1 6.754 7.799 13.400 0.00 1.00 -ATOM 579 C9L TOP A 1 6.754 7.799 16.750 0.00 1.00 -ATOM 580 C9M TOP A 1 5.526 9.926 10.050 0.00 1.00 -ATOM 581 C9N TOP A 1 5.526 9.926 13.400 0.00 1.00 -ATOM 582 C9O TOP A 1 5.526 9.926 16.750 0.00 1.00 -ATOM 583 C9P TOP A 1 4.298 12.053 10.050 0.00 1.00 -ATOM 584 C9Q TOP A 1 4.298 12.053 13.400 0.00 1.00 -ATOM 585 C9R TOP A 1 4.298 12.053 16.750 0.00 1.00 -ATOM 586 C9S TOP A 1 3.070 14.180 10.050 0.00 1.00 -ATOM 587 C9T TOP A 1 3.070 14.180 13.400 0.00 1.00 -ATOM 588 C9U TOP A 1 3.070 14.180 16.750 0.00 1.00 -ATOM 589 C9V TOP A 1 21.490 16.306 10.050 0.00 1.00 -ATOM 590 C9W TOP A 1 21.490 16.306 13.400 0.00 1.00 -ATOM 591 C9X TOP A 1 21.490 16.306 16.750 0.00 1.00 -ATOM 592 C9Y TOP A 1 20.262 18.433 10.050 0.00 1.00 -ATOM 593 C9Z TOP A 1 20.262 18.433 13.400 0.00 1.00 -ATOM 594 C9a TOP A 1 20.262 18.433 16.750 0.00 1.00 -ATOM 595 C9b TOP A 1 19.034 20.560 10.050 0.00 1.00 -ATOM 596 C9c TOP A 1 19.034 20.560 13.400 0.00 1.00 -ATOM 597 C9d TOP A 1 19.034 20.560 16.750 0.00 1.00 -ATOM 598 C9e TOP A 1 17.806 22.687 10.050 0.00 1.00 -ATOM 599 C9f TOP A 1 17.806 22.687 13.400 0.00 1.00 -ATOM 600 C9g TOP A 1 17.806 22.687 16.750 0.00 1.00 -ATOM 601 C9h TOP A 1 16.578 24.814 10.050 0.00 1.00 -ATOM 602 C9i TOP A 1 16.578 24.814 13.400 0.00 1.00 -ATOM 603 C9j TOP A 1 16.578 24.814 16.750 0.00 1.00 -ATOM 604 C9k TOP A 1 15.350 26.941 10.050 0.00 1.00 -ATOM 605 C9l TOP A 1 15.350 26.941 13.400 0.00 1.00 -ATOM 606 C9m TOP A 1 15.350 26.941 16.750 0.00 1.00 -ATOM 607 C9n TOP A 1 14.122 29.068 10.050 0.00 1.00 -ATOM 608 C9o TOP A 1 14.122 29.068 13.400 0.00 1.00 -ATOM 609 C9p TOP A 1 14.122 29.068 16.750 0.00 1.00 -ATOM 610 C9q TOP A 1 12.894 1.418 10.050 0.00 1.00 -ATOM 611 C9r TOP A 1 12.894 1.418 13.400 0.00 1.00 -ATOM 612 C9s TOP A 1 12.894 1.418 16.750 0.00 1.00 -ATOM 613 C9t TOP A 1 11.666 3.545 10.050 0.00 1.00 -ATOM 614 C9u TOP A 1 11.666 3.545 13.400 0.00 1.00 -ATOM 615 C9v TOP A 1 11.666 3.545 16.750 0.00 1.00 -ATOM 616 C9w TOP A 1 10.438 5.672 10.050 0.00 1.00 -ATOM 617 C9x TOP A 1 10.438 5.672 13.400 0.00 1.00 -ATOM 618 C9y TOP A 1 10.438 5.672 16.750 0.00 1.00 -ATOM 619 C9z TOP A 1 9.210 7.799 10.050 0.00 1.00 -ATOM 620 CA0 TOP A 1 9.210 7.799 13.400 0.00 1.00 -ATOM 621 CA1 TOP A 1 9.210 7.799 16.750 0.00 1.00 -ATOM 622 CA2 TOP A 1 7.982 9.926 10.050 0.00 1.00 -ATOM 623 CA3 TOP A 1 7.982 9.926 13.400 0.00 1.00 -ATOM 624 CA4 TOP A 1 7.982 9.926 16.750 0.00 1.00 -ATOM 625 CA5 TOP A 1 6.754 12.053 10.050 0.00 1.00 -ATOM 626 CA6 TOP A 1 6.754 12.053 13.400 0.00 1.00 -ATOM 627 CA7 TOP A 1 6.754 12.053 16.750 0.00 1.00 -ATOM 628 CA8 TOP A 1 5.526 14.180 10.050 0.00 1.00 -ATOM 629 CA9 TOP A 1 5.526 14.180 13.400 0.00 1.00 -ATOM 630 CAA TOP A 1 5.526 14.180 16.750 0.00 1.00 -ATOM 631 CAB TOP A 1 23.946 16.306 10.050 0.00 1.00 -ATOM 632 CAC TOP A 1 23.946 16.306 13.400 0.00 1.00 -ATOM 633 CAD TOP A 1 23.946 16.306 16.750 0.00 1.00 -ATOM 634 CAE TOP A 1 22.718 18.433 10.050 0.00 1.00 -ATOM 635 CAF TOP A 1 22.718 18.433 13.400 0.00 1.00 -ATOM 636 CAG TOP A 1 22.718 18.433 16.750 0.00 1.00 -ATOM 637 CAH TOP A 1 21.490 20.560 10.050 0.00 1.00 -ATOM 638 CAI TOP A 1 21.490 20.560 13.400 0.00 1.00 -ATOM 639 CAJ TOP A 1 21.490 20.560 16.750 0.00 1.00 -ATOM 640 CAK TOP A 1 20.262 22.687 10.050 0.00 1.00 -ATOM 641 CAL TOP A 1 20.262 22.687 13.400 0.00 1.00 -ATOM 642 CAM TOP A 1 20.262 22.687 16.750 0.00 1.00 -ATOM 643 CAN TOP A 1 19.034 24.814 10.050 0.00 1.00 -ATOM 644 CAO TOP A 1 19.034 24.814 13.400 0.00 1.00 -ATOM 645 CAP TOP A 1 19.034 24.814 16.750 0.00 1.00 -ATOM 646 CAQ TOP A 1 17.806 26.941 10.050 0.00 1.00 -ATOM 647 CAR TOP A 1 17.806 26.941 13.400 0.00 1.00 -ATOM 648 CAS TOP A 1 17.806 26.941 16.750 0.00 1.00 -ATOM 649 CAT TOP A 1 16.578 29.068 10.050 0.00 1.00 -ATOM 650 CAU TOP A 1 16.578 29.068 13.400 0.00 1.00 -ATOM 651 CAV TOP A 1 16.578 29.068 16.750 0.00 1.00 -ATOM 652 CAW TOP A 1 15.350 1.418 10.050 0.00 1.00 -ATOM 653 CAX TOP A 1 15.350 1.418 13.400 0.00 1.00 -ATOM 654 CAY TOP A 1 15.350 1.418 16.750 0.00 1.00 -ATOM 655 CAZ TOP A 1 14.122 3.545 10.050 0.00 1.00 -ATOM 656 CAa TOP A 1 14.122 3.545 13.400 0.00 1.00 -ATOM 657 CAb TOP A 1 14.122 3.545 16.750 0.00 1.00 -ATOM 658 CAc TOP A 1 12.894 5.672 10.050 0.00 1.00 -ATOM 659 CAd TOP A 1 12.894 5.672 13.400 0.00 1.00 -ATOM 660 CAe TOP A 1 12.894 5.672 16.750 0.00 1.00 -ATOM 661 CAf TOP A 1 11.666 7.799 10.050 0.00 1.00 -ATOM 662 CAg TOP A 1 11.666 7.799 13.400 0.00 1.00 -ATOM 663 CAh TOP A 1 11.666 7.799 16.750 0.00 1.00 -ATOM 664 CAi TOP A 1 10.438 9.926 10.050 0.00 1.00 -ATOM 665 CAj TOP A 1 10.438 9.926 13.400 0.00 1.00 -ATOM 666 CAk TOP A 1 10.438 9.926 16.750 0.00 1.00 -ATOM 667 CAl TOP A 1 9.210 12.053 10.050 0.00 1.00 -ATOM 668 CAm TOP A 1 9.210 12.053 13.400 0.00 1.00 -ATOM 669 CAn TOP A 1 9.210 12.053 16.750 0.00 1.00 -ATOM 670 CAo TOP A 1 7.982 14.180 10.050 0.00 1.00 -ATOM 671 CAp TOP A 1 7.982 14.180 13.400 0.00 1.00 -ATOM 672 CAq TOP A 1 7.982 14.180 16.750 0.00 1.00 -ATOM 673 CAr TOP A 1 26.402 16.306 10.050 0.00 1.00 -ATOM 674 CAs TOP A 1 26.402 16.306 13.400 0.00 1.00 -ATOM 675 CAt TOP A 1 26.402 16.306 16.750 0.00 1.00 -ATOM 676 CAu TOP A 1 25.174 18.433 10.050 0.00 1.00 -ATOM 677 CAv TOP A 1 25.174 18.433 13.400 0.00 1.00 -ATOM 678 CAw TOP A 1 25.174 18.433 16.750 0.00 1.00 -ATOM 679 CAx TOP A 1 23.946 20.560 10.050 0.00 1.00 -ATOM 680 CAy TOP A 1 23.946 20.560 13.400 0.00 1.00 -ATOM 681 CAz TOP A 1 23.946 20.560 16.750 0.00 1.00 -ATOM 682 CB0 TOP A 1 22.718 22.687 10.050 0.00 1.00 -ATOM 683 CB1 TOP A 1 22.718 22.687 13.400 0.00 1.00 -ATOM 684 CB2 TOP A 1 22.718 22.687 16.750 0.00 1.00 -ATOM 685 CB3 TOP A 1 21.490 24.814 10.050 0.00 1.00 -ATOM 686 CB4 TOP A 1 21.490 24.814 13.400 0.00 1.00 -ATOM 687 CB5 TOP A 1 21.490 24.814 16.750 0.00 1.00 -ATOM 688 CB6 TOP A 1 20.262 26.941 10.050 0.00 1.00 -ATOM 689 CB7 TOP A 1 20.262 26.941 13.400 0.00 1.00 -ATOM 690 CB8 TOP A 1 20.262 26.941 16.750 0.00 1.00 -ATOM 691 CB9 TOP A 1 19.034 29.068 10.050 0.00 1.00 -ATOM 692 CBA TOP A 1 19.034 29.068 13.400 0.00 1.00 -ATOM 693 CBB TOP A 1 19.034 29.068 16.750 0.00 1.00 -ATOM 694 CBC TOP A 1 17.806 1.418 10.050 0.00 1.00 -ATOM 695 CBD TOP A 1 17.806 1.418 13.400 0.00 1.00 -ATOM 696 CBE TOP A 1 17.806 1.418 16.750 0.00 1.00 -ATOM 697 CBF TOP A 1 16.578 3.545 10.050 0.00 1.00 -ATOM 698 CBG TOP A 1 16.578 3.545 13.400 0.00 1.00 -ATOM 699 CBH TOP A 1 16.578 3.545 16.750 0.00 1.00 -ATOM 700 CBI TOP A 1 15.350 5.672 10.050 0.00 1.00 -ATOM 701 CBJ TOP A 1 15.350 5.672 13.400 0.00 1.00 -ATOM 702 CBK TOP A 1 15.350 5.672 16.750 0.00 1.00 -ATOM 703 CBL TOP A 1 14.122 7.799 10.050 0.00 1.00 -ATOM 704 CBM TOP A 1 14.122 7.799 13.400 0.00 1.00 -ATOM 705 CBN TOP A 1 14.122 7.799 16.750 0.00 1.00 -ATOM 706 CBO TOP A 1 12.894 9.926 10.050 0.00 1.00 -ATOM 707 CBP TOP A 1 12.894 9.926 13.400 0.00 1.00 -ATOM 708 CBQ TOP A 1 12.894 9.926 16.750 0.00 1.00 -ATOM 709 CBR TOP A 1 11.666 12.053 10.050 0.00 1.00 -ATOM 710 CBS TOP A 1 11.666 12.053 13.400 0.00 1.00 -ATOM 711 CBT TOP A 1 11.666 12.053 16.750 0.00 1.00 -ATOM 712 CBU TOP A 1 10.438 14.180 10.050 0.00 1.00 -ATOM 713 CBV TOP A 1 10.438 14.180 13.400 0.00 1.00 -ATOM 714 CBW TOP A 1 10.438 14.180 16.750 0.00 1.00 -ATOM 715 CBX TOP A 1 28.858 16.306 10.050 0.00 1.00 -ATOM 716 CBY TOP A 1 28.858 16.306 13.400 0.00 1.00 -ATOM 717 CBZ TOP A 1 28.858 16.306 16.750 0.00 1.00 -ATOM 718 CBa TOP A 1 27.630 18.433 10.050 0.00 1.00 -ATOM 719 CBb TOP A 1 27.630 18.433 13.400 0.00 1.00 -ATOM 720 CBc TOP A 1 27.630 18.433 16.750 0.00 1.00 -ATOM 721 CBd TOP A 1 26.402 20.560 10.050 0.00 1.00 -ATOM 722 CBe TOP A 1 26.402 20.560 13.400 0.00 1.00 -ATOM 723 CBf TOP A 1 26.402 20.560 16.750 0.00 1.00 -ATOM 724 CBg TOP A 1 25.174 22.687 10.050 0.00 1.00 -ATOM 725 CBh TOP A 1 25.174 22.687 13.400 0.00 1.00 -ATOM 726 CBi TOP A 1 25.174 22.687 16.750 0.00 1.00 -ATOM 727 CBj TOP A 1 23.946 24.814 10.050 0.00 1.00 -ATOM 728 CBk TOP A 1 23.946 24.814 13.400 0.00 1.00 -ATOM 729 CBl TOP A 1 23.946 24.814 16.750 0.00 1.00 -ATOM 730 CBm TOP A 1 22.718 26.941 10.050 0.00 1.00 -ATOM 731 CBn TOP A 1 22.718 26.941 13.400 0.00 1.00 -ATOM 732 CBo TOP A 1 22.718 26.941 16.750 0.00 1.00 -ATOM 733 CBp TOP A 1 21.490 29.068 10.050 0.00 1.00 -ATOM 734 CBq TOP A 1 21.490 29.068 13.400 0.00 1.00 -ATOM 735 CBr TOP A 1 21.490 29.068 16.750 0.00 1.00 -ATOM 736 CBs TOP A 1 20.262 1.418 10.050 0.00 1.00 -ATOM 737 CBt TOP A 1 20.262 1.418 13.400 0.00 1.00 -ATOM 738 CBu TOP A 1 20.262 1.418 16.750 0.00 1.00 -ATOM 739 CBv TOP A 1 19.034 3.545 10.050 0.00 1.00 -ATOM 740 CBw TOP A 1 19.034 3.545 13.400 0.00 1.00 -ATOM 741 CBx TOP A 1 19.034 3.545 16.750 0.00 1.00 -ATOM 742 CBy TOP A 1 17.806 5.672 10.050 0.00 1.00 -ATOM 743 CBz TOP A 1 17.806 5.672 13.400 0.00 1.00 -ATOM 744 CC0 TOP A 1 17.806 5.672 16.750 0.00 1.00 -ATOM 745 CC1 TOP A 1 16.578 7.799 10.050 0.00 1.00 -ATOM 746 CC2 TOP A 1 16.578 7.799 13.400 0.00 1.00 -ATOM 747 CC3 TOP A 1 16.578 7.799 16.750 0.00 1.00 -ATOM 748 CC4 TOP A 1 15.350 9.926 10.050 0.00 1.00 -ATOM 749 CC5 TOP A 1 15.350 9.926 13.400 0.00 1.00 -ATOM 750 CC6 TOP A 1 15.350 9.926 16.750 0.00 1.00 -ATOM 751 CC7 TOP A 1 14.122 12.053 10.050 0.00 1.00 -ATOM 752 CC8 TOP A 1 14.122 12.053 13.400 0.00 1.00 -ATOM 753 CC9 TOP A 1 14.122 12.053 16.750 0.00 1.00 -ATOM 754 CCA TOP A 1 12.894 14.180 10.050 0.00 1.00 -ATOM 755 CCB TOP A 1 12.894 14.180 13.400 0.00 1.00 -ATOM 756 CCC TOP A 1 12.894 14.180 16.750 0.00 1.00 -ATOM 757 CCD TOP A 1 1.842 16.306 10.050 0.00 1.00 -ATOM 758 CCE TOP A 1 1.842 16.306 13.400 0.00 1.00 -ATOM 759 CCF TOP A 1 1.842 16.306 16.750 0.00 1.00 -ATOM 760 CCG TOP A 1 0.614 18.433 10.050 0.00 1.00 -ATOM 761 CCH TOP A 1 0.614 18.433 13.400 0.00 1.00 -ATOM 762 CCI TOP A 1 0.614 18.433 16.750 0.00 1.00 -ATOM 763 CCJ TOP A 1 28.858 20.560 10.050 0.00 1.00 -ATOM 764 CCK TOP A 1 28.858 20.560 13.400 0.00 1.00 -ATOM 765 CCL TOP A 1 28.858 20.560 16.750 0.00 1.00 -ATOM 766 CCM TOP A 1 27.630 22.687 10.050 0.00 1.00 -ATOM 767 CCN TOP A 1 27.630 22.687 13.400 0.00 1.00 -ATOM 768 CCO TOP A 1 27.630 22.687 16.750 0.00 1.00 -ATOM 769 CCP TOP A 1 26.402 24.814 10.050 0.00 1.00 -ATOM 770 CCQ TOP A 1 26.402 24.814 13.400 0.00 1.00 -ATOM 771 CCR TOP A 1 26.402 24.814 16.750 0.00 1.00 -ATOM 772 CCS TOP A 1 25.174 26.941 10.050 0.00 1.00 -ATOM 773 CCT TOP A 1 25.174 26.941 13.400 0.00 1.00 -ATOM 774 CCU TOP A 1 25.174 26.941 16.750 0.00 1.00 -ATOM 775 CCV TOP A 1 23.946 29.068 10.050 0.00 1.00 -ATOM 776 CCW TOP A 1 23.946 29.068 13.400 0.00 1.00 -ATOM 777 CCX TOP A 1 23.946 29.068 16.750 0.00 1.00 -ATOM 778 CCY TOP A 1 22.718 1.418 10.050 0.00 1.00 -ATOM 779 CCZ TOP A 1 22.718 1.418 13.400 0.00 1.00 -ATOM 780 CCa TOP A 1 22.718 1.418 16.750 0.00 1.00 -ATOM 781 CCb TOP A 1 21.490 3.545 10.050 0.00 1.00 -ATOM 782 CCc TOP A 1 21.490 3.545 13.400 0.00 1.00 -ATOM 783 CCd TOP A 1 21.490 3.545 16.750 0.00 1.00 -ATOM 784 CCe TOP A 1 20.262 5.672 10.050 0.00 1.00 -ATOM 785 CCf TOP A 1 20.262 5.672 13.400 0.00 1.00 -ATOM 786 CCg TOP A 1 20.262 5.672 16.750 0.00 1.00 -ATOM 787 CCh TOP A 1 19.034 7.799 10.050 0.00 1.00 -ATOM 788 CCi TOP A 1 19.034 7.799 13.400 0.00 1.00 -ATOM 789 CCj TOP A 1 19.034 7.799 16.750 0.00 1.00 -ATOM 790 CCk TOP A 1 17.806 9.926 10.050 0.00 1.00 -ATOM 791 CCl TOP A 1 17.806 9.926 13.400 0.00 1.00 -ATOM 792 CCm TOP A 1 17.806 9.926 16.750 0.00 1.00 -ATOM 793 CCn TOP A 1 16.578 12.053 10.050 0.00 1.00 -ATOM 794 CCo TOP A 1 16.578 12.053 13.400 0.00 1.00 -ATOM 795 CCp TOP A 1 16.578 12.053 16.750 0.00 1.00 -ATOM 796 CCq TOP A 1 15.350 14.180 10.050 0.00 1.00 -ATOM 797 CCr TOP A 1 15.350 14.180 13.400 0.00 1.00 -ATOM 798 CCs TOP A 1 15.350 14.180 16.750 0.00 1.00 -ATOM 799 CCt TOP A 1 4.298 16.306 10.050 0.00 1.00 -ATOM 800 CCu TOP A 1 4.298 16.306 13.400 0.00 1.00 -ATOM 801 CCv TOP A 1 4.298 16.306 16.750 0.00 1.00 -ATOM 802 CCw TOP A 1 3.070 18.433 10.050 0.00 1.00 -ATOM 803 CCx TOP A 1 3.070 18.433 13.400 0.00 1.00 -ATOM 804 CCy TOP A 1 3.070 18.433 16.750 0.00 1.00 -ATOM 805 CCz TOP A 1 1.842 20.560 10.050 0.00 1.00 -ATOM 806 CD0 TOP A 1 1.842 20.560 13.400 0.00 1.00 -ATOM 807 CD1 TOP A 1 1.842 20.560 16.750 0.00 1.00 -ATOM 808 CD2 TOP A 1 0.614 22.687 10.050 0.00 1.00 -ATOM 809 CD3 TOP A 1 0.614 22.687 13.400 0.00 1.00 -ATOM 810 CD4 TOP A 1 0.614 22.687 16.750 0.00 1.00 -ATOM 811 CD5 TOP A 1 28.858 24.814 10.050 0.00 1.00 -ATOM 812 CD6 TOP A 1 28.858 24.814 13.400 0.00 1.00 -ATOM 813 CD7 TOP A 1 28.858 24.814 16.750 0.00 1.00 -ATOM 814 CD8 TOP A 1 27.630 26.941 10.050 0.00 1.00 -ATOM 815 CD9 TOP A 1 27.630 26.941 13.400 0.00 1.00 -ATOM 816 CDA TOP A 1 27.630 26.941 16.750 0.00 1.00 -ATOM 817 CDB TOP A 1 26.402 29.068 10.050 0.00 1.00 -ATOM 818 CDC TOP A 1 26.402 29.068 13.400 0.00 1.00 -ATOM 819 CDD TOP A 1 26.402 29.068 16.750 0.00 1.00 -ATOM 820 CDE TOP A 1 25.174 1.418 10.050 0.00 1.00 -ATOM 821 CDF TOP A 1 25.174 1.418 13.400 0.00 1.00 -ATOM 822 CDG TOP A 1 25.174 1.418 16.750 0.00 1.00 -ATOM 823 CDH TOP A 1 23.946 3.545 10.050 0.00 1.00 -ATOM 824 CDI TOP A 1 23.946 3.545 13.400 0.00 1.00 -ATOM 825 CDJ TOP A 1 23.946 3.545 16.750 0.00 1.00 -ATOM 826 CDK TOP A 1 22.718 5.672 10.050 0.00 1.00 -ATOM 827 CDL TOP A 1 22.718 5.672 13.400 0.00 1.00 -ATOM 828 CDM TOP A 1 22.718 5.672 16.750 0.00 1.00 -ATOM 829 CDN TOP A 1 21.490 7.799 10.050 0.00 1.00 -ATOM 830 CDO TOP A 1 21.490 7.799 13.400 0.00 1.00 -ATOM 831 CDP TOP A 1 21.490 7.799 16.750 0.00 1.00 -ATOM 832 CDQ TOP A 1 20.262 9.926 10.050 0.00 1.00 -ATOM 833 CDR TOP A 1 20.262 9.926 13.400 0.00 1.00 -ATOM 834 CDS TOP A 1 20.262 9.926 16.750 0.00 1.00 -ATOM 835 CDT TOP A 1 19.034 12.053 10.050 0.00 1.00 -ATOM 836 CDU TOP A 1 19.034 12.053 13.400 0.00 1.00 -ATOM 837 CDV TOP A 1 19.034 12.053 16.750 0.00 1.00 -ATOM 838 CDW TOP A 1 17.806 14.180 10.050 0.00 1.00 -ATOM 839 CDX TOP A 1 17.806 14.180 13.400 0.00 1.00 -ATOM 840 CDY TOP A 1 17.806 14.180 16.750 0.00 1.00 -ATOM 841 CDZ TOP A 1 6.754 16.306 10.050 0.00 1.00 -ATOM 842 CDa TOP A 1 6.754 16.306 13.400 0.00 1.00 -ATOM 843 CDb TOP A 1 6.754 16.306 16.750 0.00 1.00 -ATOM 844 CDc TOP A 1 5.526 18.433 10.050 0.00 1.00 -ATOM 845 CDd TOP A 1 5.526 18.433 13.400 0.00 1.00 -ATOM 846 CDe TOP A 1 5.526 18.433 16.750 0.00 1.00 -ATOM 847 CDf TOP A 1 4.298 20.560 10.050 0.00 1.00 -ATOM 848 CDg TOP A 1 4.298 20.560 13.400 0.00 1.00 -ATOM 849 CDh TOP A 1 4.298 20.560 16.750 0.00 1.00 -ATOM 850 CDi TOP A 1 3.070 22.687 10.050 0.00 1.00 -ATOM 851 CDj TOP A 1 3.070 22.687 13.400 0.00 1.00 -ATOM 852 CDk TOP A 1 3.070 22.687 16.750 0.00 1.00 -ATOM 853 CDl TOP A 1 1.842 24.814 10.050 0.00 1.00 -ATOM 854 CDm TOP A 1 1.842 24.814 13.400 0.00 1.00 -ATOM 855 CDn TOP A 1 1.842 24.814 16.750 0.00 1.00 -ATOM 856 CDo TOP A 1 0.614 26.941 10.050 0.00 1.00 -ATOM 857 CDp TOP A 1 0.614 26.941 13.400 0.00 1.00 -ATOM 858 CDq TOP A 1 0.614 26.941 16.750 0.00 1.00 -ATOM 859 CDr TOP A 1 28.858 29.068 10.050 0.00 1.00 -ATOM 860 CDs TOP A 1 28.858 29.068 13.400 0.00 1.00 -ATOM 861 CDt TOP A 1 28.858 29.068 16.750 0.00 1.00 -ATOM 862 CDu TOP A 1 27.630 1.418 10.050 0.00 1.00 -ATOM 863 CDv TOP A 1 27.630 1.418 13.400 0.00 1.00 -ATOM 864 CDw TOP A 1 27.630 1.418 16.750 0.00 1.00 -ATOM 865 CDx TOP A 1 26.402 3.545 10.050 0.00 1.00 -ATOM 866 CDy TOP A 1 26.402 3.545 13.400 0.00 1.00 -ATOM 867 CDz TOP A 1 26.402 3.545 16.750 0.00 1.00 -ATOM 868 CE0 TOP A 1 25.174 5.672 10.050 0.00 1.00 -ATOM 869 CE1 TOP A 1 25.174 5.672 13.400 0.00 1.00 -ATOM 870 CE2 TOP A 1 25.174 5.672 16.750 0.00 1.00 -ATOM 871 CE3 TOP A 1 23.946 7.799 10.050 0.00 1.00 -ATOM 872 CE4 TOP A 1 23.946 7.799 13.400 0.00 1.00 -ATOM 873 CE5 TOP A 1 23.946 7.799 16.750 0.00 1.00 -ATOM 874 CE6 TOP A 1 22.718 9.926 10.050 0.00 1.00 -ATOM 875 CE7 TOP A 1 22.718 9.926 13.400 0.00 1.00 -ATOM 876 CE8 TOP A 1 22.718 9.926 16.750 0.00 1.00 -ATOM 877 CE9 TOP A 1 21.490 12.053 10.050 0.00 1.00 -ATOM 878 CEA TOP A 1 21.490 12.053 13.400 0.00 1.00 -ATOM 879 CEB TOP A 1 21.490 12.053 16.750 0.00 1.00 -ATOM 880 CEC TOP A 1 20.262 14.180 10.050 0.00 1.00 -ATOM 881 CED TOP A 1 20.262 14.180 13.400 0.00 1.00 -ATOM 882 CEE TOP A 1 20.262 14.180 16.750 0.00 1.00 -ATOM 883 CEF TOP A 1 9.210 16.306 10.050 0.00 1.00 -ATOM 884 CEG TOP A 1 9.210 16.306 13.400 0.00 1.00 -ATOM 885 CEH TOP A 1 9.210 16.306 16.750 0.00 1.00 -ATOM 886 CEI TOP A 1 7.982 18.433 10.050 0.00 1.00 -ATOM 887 CEJ TOP A 1 7.982 18.433 13.400 0.00 1.00 -ATOM 888 CEK TOP A 1 7.982 18.433 16.750 0.00 1.00 -ATOM 889 CEL TOP A 1 6.754 20.560 10.050 0.00 1.00 -ATOM 890 CEM TOP A 1 6.754 20.560 13.400 0.00 1.00 -ATOM 891 CEN TOP A 1 6.754 20.560 16.750 0.00 1.00 -ATOM 892 CEO TOP A 1 5.526 22.687 10.050 0.00 1.00 -ATOM 893 CEP TOP A 1 5.526 22.687 13.400 0.00 1.00 -ATOM 894 CEQ TOP A 1 5.526 22.687 16.750 0.00 1.00 -ATOM 895 CER TOP A 1 4.298 24.814 10.050 0.00 1.00 -ATOM 896 CES TOP A 1 4.298 24.814 13.400 0.00 1.00 -ATOM 897 CET TOP A 1 4.298 24.814 16.750 0.00 1.00 -ATOM 898 CEU TOP A 1 3.070 26.941 10.050 0.00 1.00 -ATOM 899 CEV TOP A 1 3.070 26.941 13.400 0.00 1.00 -ATOM 900 CEW TOP A 1 3.070 26.941 16.750 0.00 1.00 -ATOM 901 CEX TOP A 1 1.842 29.068 10.050 0.00 1.00 -ATOM 902 CEY TOP A 1 1.842 29.068 13.400 0.00 1.00 -ATOM 903 CEZ TOP A 1 1.842 29.068 16.750 0.00 1.00 -ATOM 904 CEa TOP A 1 0.614 1.418 10.050 0.00 1.00 -ATOM 905 CEb TOP A 1 0.614 1.418 13.400 0.00 1.00 -ATOM 906 CEc TOP A 1 0.614 1.418 16.750 0.00 1.00 -ATOM 907 CEd TOP A 1 28.858 3.545 10.050 0.00 1.00 -ATOM 908 CEe TOP A 1 28.858 3.545 13.400 0.00 1.00 -ATOM 909 CEf TOP A 1 28.858 3.545 16.750 0.00 1.00 -ATOM 910 CEg TOP A 1 27.630 5.672 10.050 0.00 1.00 -ATOM 911 CEh TOP A 1 27.630 5.672 13.400 0.00 1.00 -ATOM 912 CEi TOP A 1 27.630 5.672 16.750 0.00 1.00 -ATOM 913 CEj TOP A 1 26.402 7.799 10.050 0.00 1.00 -ATOM 914 CEk TOP A 1 26.402 7.799 13.400 0.00 1.00 -ATOM 915 CEl TOP A 1 26.402 7.799 16.750 0.00 1.00 -ATOM 916 CEm TOP A 1 25.174 9.926 10.050 0.00 1.00 -ATOM 917 CEn TOP A 1 25.174 9.926 13.400 0.00 1.00 -ATOM 918 CEo TOP A 1 25.174 9.926 16.750 0.00 1.00 -ATOM 919 CEp TOP A 1 23.946 12.053 10.050 0.00 1.00 -ATOM 920 CEq TOP A 1 23.946 12.053 13.400 0.00 1.00 -ATOM 921 CEr TOP A 1 23.946 12.053 16.750 0.00 1.00 -ATOM 922 CEs TOP A 1 22.718 14.180 10.050 0.00 1.00 -ATOM 923 CEt TOP A 1 22.718 14.180 13.400 0.00 1.00 -ATOM 924 CEu TOP A 1 22.718 14.180 16.750 0.00 1.00 -ATOM 925 CEv TOP A 1 11.666 16.306 10.050 0.00 1.00 -ATOM 926 CEw TOP A 1 11.666 16.306 13.400 0.00 1.00 -ATOM 927 CEx TOP A 1 11.666 16.306 16.750 0.00 1.00 -ATOM 928 CEy TOP A 1 10.438 18.433 10.050 0.00 1.00 -ATOM 929 CEz TOP A 1 10.438 18.433 13.400 0.00 1.00 -ATOM 930 CF0 TOP A 1 10.438 18.433 16.750 0.00 1.00 -ATOM 931 CF1 TOP A 1 9.210 20.560 10.050 0.00 1.00 -ATOM 932 CF2 TOP A 1 9.210 20.560 13.400 0.00 1.00 -ATOM 933 CF3 TOP A 1 9.210 20.560 16.750 0.00 1.00 -ATOM 934 CF4 TOP A 1 7.982 22.687 10.050 0.00 1.00 -ATOM 935 CF5 TOP A 1 7.982 22.687 13.400 0.00 1.00 -ATOM 936 CF6 TOP A 1 7.982 22.687 16.750 0.00 1.00 -ATOM 937 CF7 TOP A 1 6.754 24.814 10.050 0.00 1.00 -ATOM 938 CF8 TOP A 1 6.754 24.814 13.400 0.00 1.00 -ATOM 939 CF9 TOP A 1 6.754 24.814 16.750 0.00 1.00 -ATOM 940 CFA TOP A 1 5.526 26.941 10.050 0.00 1.00 -ATOM 941 CFB TOP A 1 5.526 26.941 13.400 0.00 1.00 -ATOM 942 CFC TOP A 1 5.526 26.941 16.750 0.00 1.00 -ATOM 943 CFD TOP A 1 4.298 29.068 10.050 0.00 1.00 -ATOM 944 CFE TOP A 1 4.298 29.068 13.400 0.00 1.00 -ATOM 945 CFF TOP A 1 4.298 29.068 16.750 0.00 1.00 -ATOM 946 CFG TOP A 1 3.070 1.418 10.050 0.00 1.00 -ATOM 947 CFH TOP A 1 3.070 1.418 13.400 0.00 1.00 -ATOM 948 CFI TOP A 1 3.070 1.418 16.750 0.00 1.00 -ATOM 949 CFJ TOP A 1 1.842 3.545 10.050 0.00 1.00 -ATOM 950 CFK TOP A 1 1.842 3.545 13.400 0.00 1.00 -ATOM 951 CFL TOP A 1 1.842 3.545 16.750 0.00 1.00 -ATOM 952 CFM TOP A 1 0.614 5.672 10.050 0.00 1.00 -ATOM 953 CFN TOP A 1 0.614 5.672 13.400 0.00 1.00 -ATOM 954 CFO TOP A 1 0.614 5.672 16.750 0.00 1.00 -ATOM 955 CFP TOP A 1 28.858 7.799 10.050 0.00 1.00 -ATOM 956 CFQ TOP A 1 28.858 7.799 13.400 0.00 1.00 -ATOM 957 CFR TOP A 1 28.858 7.799 16.750 0.00 1.00 -ATOM 958 CFS TOP A 1 27.630 9.926 10.050 0.00 1.00 -ATOM 959 CFT TOP A 1 27.630 9.926 13.400 0.00 1.00 -ATOM 960 CFU TOP A 1 27.630 9.926 16.750 0.00 1.00 -ATOM 961 CFV TOP A 1 26.402 12.053 10.050 0.00 1.00 -ATOM 962 CFW TOP A 1 26.402 12.053 13.400 0.00 1.00 -ATOM 963 CFX TOP A 1 26.402 12.053 16.750 0.00 1.00 -ATOM 964 CFY TOP A 1 25.174 14.180 10.050 0.00 1.00 -ATOM 965 CFZ TOP A 1 25.174 14.180 13.400 0.00 1.00 -ATOM 966 CFa TOP A 1 25.174 14.180 16.750 0.00 1.00 -ATOM 967 CFb TOP A 1 14.122 16.306 10.050 0.00 1.00 -ATOM 968 CFc TOP A 1 14.122 16.306 13.400 0.00 1.00 -ATOM 969 CFd TOP A 1 14.122 16.306 16.750 0.00 1.00 -ATOM 970 CFe TOP A 1 12.894 18.433 10.050 0.00 1.00 -ATOM 971 CFf TOP A 1 12.894 18.433 13.400 0.00 1.00 -ATOM 972 CFg TOP A 1 12.894 18.433 16.750 0.00 1.00 -ATOM 973 CFh TOP A 1 11.666 20.560 10.050 0.00 1.00 -ATOM 974 CFi TOP A 1 11.666 20.560 13.400 0.00 1.00 -ATOM 975 CFj TOP A 1 11.666 20.560 16.750 0.00 1.00 -ATOM 976 CFk TOP A 1 10.438 22.687 10.050 0.00 1.00 -ATOM 977 CFl TOP A 1 10.438 22.687 13.400 0.00 1.00 -ATOM 978 CFm TOP A 1 10.438 22.687 16.750 0.00 1.00 -ATOM 979 CFn TOP A 1 9.210 24.814 10.050 0.00 1.00 -ATOM 980 CFo TOP A 1 9.210 24.814 13.400 0.00 1.00 -ATOM 981 CFp TOP A 1 9.210 24.814 16.750 0.00 1.00 -ATOM 982 CFq TOP A 1 7.982 26.941 10.050 0.00 1.00 -ATOM 983 CFr TOP A 1 7.982 26.941 13.400 0.00 1.00 -ATOM 984 CFs TOP A 1 7.982 26.941 16.750 0.00 1.00 -ATOM 985 CFt TOP A 1 6.754 29.068 10.050 0.00 1.00 -ATOM 986 CFu TOP A 1 6.754 29.068 13.400 0.00 1.00 -ATOM 987 CFv TOP A 1 6.754 29.068 16.750 0.00 1.00 -ATOM 988 CFw TOP A 1 5.526 1.418 10.050 0.00 1.00 -ATOM 989 CFx TOP A 1 5.526 1.418 13.400 0.00 1.00 -ATOM 990 CFy TOP A 1 5.526 1.418 16.750 0.00 1.00 -ATOM 991 CFz TOP A 1 4.298 3.545 10.050 0.00 1.00 -ATOM 992 CG0 TOP A 1 4.298 3.545 13.400 0.00 1.00 -ATOM 993 CG1 TOP A 1 4.298 3.545 16.750 0.00 1.00 -ATOM 994 CG2 TOP A 1 3.070 5.672 10.050 0.00 1.00 -ATOM 995 CG3 TOP A 1 3.070 5.672 13.400 0.00 1.00 -ATOM 996 CG4 TOP A 1 3.070 5.672 16.750 0.00 1.00 -ATOM 997 CG5 TOP A 1 1.842 7.799 10.050 0.00 1.00 -ATOM 998 CG6 TOP A 1 1.842 7.799 13.400 0.00 1.00 -ATOM 999 CG7 TOP A 1 1.842 7.799 16.750 0.00 1.00 -ATOM 1000 CG8 TOP A 1 0.614 9.926 10.050 0.00 1.00 -ATOM 1001 CG9 TOP A 1 0.614 9.926 13.400 0.00 1.00 -ATOM 1002 CGA TOP A 1 0.614 9.926 16.750 0.00 1.00 -ATOM 1003 CGB TOP A 1 28.858 12.053 10.050 0.00 1.00 -ATOM 1004 CGC TOP A 1 28.858 12.053 13.400 0.00 1.00 -ATOM 1005 CGD TOP A 1 28.858 12.053 16.750 0.00 1.00 -ATOM 1006 CGE TOP A 1 27.630 14.180 10.050 0.00 1.00 -ATOM 1007 CGF TOP A 1 27.630 14.180 13.400 0.00 1.00 -ATOM 1008 CGG TOP A 1 27.630 14.180 16.750 0.00 1.00 -ATOM 1009 C1 BOT B 1 15.350 15.597 0.000 0.00 1.00 -ATOM 1010 C2 BOT B 1 15.350 15.597 3.350 0.00 1.00 -ATOM 1011 C3 BOT B 1 15.350 15.597 6.700 0.00 1.00 -ATOM 1012 C4 BOT B 1 14.122 17.724 0.000 0.00 1.00 -ATOM 1013 C5 BOT B 1 14.122 17.724 3.350 0.00 1.00 -ATOM 1014 C6 BOT B 1 14.122 17.724 6.700 0.00 1.00 -ATOM 1015 C7 BOT B 1 12.894 19.851 0.000 0.00 1.00 -ATOM 1016 C8 BOT B 1 12.894 19.851 3.350 0.00 1.00 -ATOM 1017 C9 BOT B 1 12.894 19.851 6.700 0.00 1.00 -ATOM 1018 CA BOT B 1 11.666 21.978 0.000 0.00 1.00 -ATOM 1019 CB BOT B 1 11.666 21.978 3.350 0.00 1.00 -ATOM 1020 CC BOT B 1 11.666 21.978 6.700 0.00 1.00 -ATOM 1021 CD BOT B 1 10.438 24.105 0.000 0.00 1.00 -ATOM 1022 CE BOT B 1 10.438 24.105 3.350 0.00 1.00 -ATOM 1023 CF BOT B 1 10.438 24.105 6.700 0.00 1.00 -ATOM 1024 CG BOT B 1 9.210 26.232 0.000 0.00 1.00 -ATOM 1025 CH BOT B 1 9.210 26.232 3.350 0.00 1.00 -ATOM 1026 CI BOT B 1 9.210 26.232 6.700 0.00 1.00 -ATOM 1027 CJ BOT B 1 7.982 28.359 0.000 0.00 1.00 -ATOM 1028 CK BOT B 1 7.982 28.359 3.350 0.00 1.00 -ATOM 1029 CL BOT B 1 7.982 28.359 6.700 0.00 1.00 -ATOM 1030 CM BOT B 1 6.754 0.709 0.000 0.00 1.00 -ATOM 1031 CN BOT B 1 6.754 0.709 3.350 0.00 1.00 -ATOM 1032 CO BOT B 1 6.754 0.709 6.700 0.00 1.00 -ATOM 1033 CP BOT B 1 5.526 2.836 0.000 0.00 1.00 -ATOM 1034 CQ BOT B 1 5.526 2.836 3.350 0.00 1.00 -ATOM 1035 CR BOT B 1 5.526 2.836 6.700 0.00 1.00 -ATOM 1036 CS BOT B 1 4.298 4.963 0.000 0.00 1.00 -ATOM 1037 CT BOT B 1 4.298 4.963 3.350 0.00 1.00 -ATOM 1038 CU BOT B 1 4.298 4.963 6.700 0.00 1.00 -ATOM 1039 CV BOT B 1 3.070 7.090 0.000 0.00 1.00 -ATOM 1040 CW BOT B 1 3.070 7.090 3.350 0.00 1.00 -ATOM 1041 CX BOT B 1 3.070 7.090 6.700 0.00 1.00 -ATOM 1042 CY BOT B 1 1.842 9.217 0.000 0.00 1.00 -ATOM 1043 CZ BOT B 1 1.842 9.217 3.350 0.00 1.00 -ATOM 1044 Ca BOT B 1 1.842 9.217 6.700 0.00 1.00 -ATOM 1045 Cb BOT B 1 0.614 11.344 0.000 0.00 1.00 -ATOM 1046 Cc BOT B 1 0.614 11.344 3.350 0.00 1.00 -ATOM 1047 Cd BOT B 1 0.614 11.344 6.700 0.00 1.00 -ATOM 1048 Ce BOT B 1 28.858 13.471 0.000 0.00 1.00 -ATOM 1049 Cf BOT B 1 28.858 13.471 3.350 0.00 1.00 -ATOM 1050 Cg BOT B 1 28.858 13.471 6.700 0.00 1.00 -ATOM 1051 Ch BOT B 1 17.806 15.597 0.000 0.00 1.00 -ATOM 1052 Ci BOT B 1 17.806 15.597 3.350 0.00 1.00 -ATOM 1053 Cj BOT B 1 17.806 15.597 6.700 0.00 1.00 -ATOM 1054 Ck BOT B 1 16.578 17.724 0.000 0.00 1.00 -ATOM 1055 Cl BOT B 1 16.578 17.724 3.350 0.00 1.00 -ATOM 1056 Cm BOT B 1 16.578 17.724 6.700 0.00 1.00 -ATOM 1057 Cn BOT B 1 15.350 19.851 0.000 0.00 1.00 -ATOM 1058 Co BOT B 1 15.350 19.851 3.350 0.00 1.00 -ATOM 1059 Cp BOT B 1 15.350 19.851 6.700 0.00 1.00 -ATOM 1060 Cq BOT B 1 14.122 21.978 0.000 0.00 1.00 -ATOM 1061 Cr BOT B 1 14.122 21.978 3.350 0.00 1.00 -ATOM 1062 Cs BOT B 1 14.122 21.978 6.700 0.00 1.00 -ATOM 1063 Ct BOT B 1 12.894 24.105 0.000 0.00 1.00 -ATOM 1064 Cu BOT B 1 12.894 24.105 3.350 0.00 1.00 -ATOM 1065 Cv BOT B 1 12.894 24.105 6.700 0.00 1.00 -ATOM 1066 Cw BOT B 1 11.666 26.232 0.000 0.00 1.00 -ATOM 1067 Cx BOT B 1 11.666 26.232 3.350 0.00 1.00 -ATOM 1068 Cy BOT B 1 11.666 26.232 6.700 0.00 1.00 -ATOM 1069 Cz BOT B 1 10.438 28.359 0.000 0.00 1.00 -ATOM 1070 C10 BOT B 1 10.438 28.359 3.350 0.00 1.00 -ATOM 1071 C11 BOT B 1 10.438 28.359 6.700 0.00 1.00 -ATOM 1072 C12 BOT B 1 9.210 0.709 0.000 0.00 1.00 -ATOM 1073 C13 BOT B 1 9.210 0.709 3.350 0.00 1.00 -ATOM 1074 C14 BOT B 1 9.210 0.709 6.700 0.00 1.00 -ATOM 1075 C15 BOT B 1 7.982 2.836 0.000 0.00 1.00 -ATOM 1076 C16 BOT B 1 7.982 2.836 3.350 0.00 1.00 -ATOM 1077 C17 BOT B 1 7.982 2.836 6.700 0.00 1.00 -ATOM 1078 C18 BOT B 1 6.754 4.963 0.000 0.00 1.00 -ATOM 1079 C19 BOT B 1 6.754 4.963 3.350 0.00 1.00 -ATOM 1080 C1A BOT B 1 6.754 4.963 6.700 0.00 1.00 -ATOM 1081 C1B BOT B 1 5.526 7.090 0.000 0.00 1.00 -ATOM 1082 C1C BOT B 1 5.526 7.090 3.350 0.00 1.00 -ATOM 1083 C1D BOT B 1 5.526 7.090 6.700 0.00 1.00 -ATOM 1084 C1E BOT B 1 4.298 9.217 0.000 0.00 1.00 -ATOM 1085 C1F BOT B 1 4.298 9.217 3.350 0.00 1.00 -ATOM 1086 C1G BOT B 1 4.298 9.217 6.700 0.00 1.00 -ATOM 1087 C1H BOT B 1 3.070 11.344 0.000 0.00 1.00 -ATOM 1088 C1I BOT B 1 3.070 11.344 3.350 0.00 1.00 -ATOM 1089 C1J BOT B 1 3.070 11.344 6.700 0.00 1.00 -ATOM 1090 C1K BOT B 1 1.842 13.471 0.000 0.00 1.00 -ATOM 1091 C1L BOT B 1 1.842 13.471 3.350 0.00 1.00 -ATOM 1092 C1M BOT B 1 1.842 13.471 6.700 0.00 1.00 -ATOM 1093 C1N BOT B 1 20.262 15.597 0.000 0.00 1.00 -ATOM 1094 C1O BOT B 1 20.262 15.597 3.350 0.00 1.00 -ATOM 1095 C1P BOT B 1 20.262 15.597 6.700 0.00 1.00 -ATOM 1096 C1Q BOT B 1 19.034 17.724 0.000 0.00 1.00 -ATOM 1097 C1R BOT B 1 19.034 17.724 3.350 0.00 1.00 -ATOM 1098 C1S BOT B 1 19.034 17.724 6.700 0.00 1.00 -ATOM 1099 C1T BOT B 1 17.806 19.851 0.000 0.00 1.00 -ATOM 1100 C1U BOT B 1 17.806 19.851 3.350 0.00 1.00 -ATOM 1101 C1V BOT B 1 17.806 19.851 6.700 0.00 1.00 -ATOM 1102 C1W BOT B 1 16.578 21.978 0.000 0.00 1.00 -ATOM 1103 C1X BOT B 1 16.578 21.978 3.350 0.00 1.00 -ATOM 1104 C1Y BOT B 1 16.578 21.978 6.700 0.00 1.00 -ATOM 1105 C1Z BOT B 1 15.350 24.105 0.000 0.00 1.00 -ATOM 1106 C1a BOT B 1 15.350 24.105 3.350 0.00 1.00 -ATOM 1107 C1b BOT B 1 15.350 24.105 6.700 0.00 1.00 -ATOM 1108 C1c BOT B 1 14.122 26.232 0.000 0.00 1.00 -ATOM 1109 C1d BOT B 1 14.122 26.232 3.350 0.00 1.00 -ATOM 1110 C1e BOT B 1 14.122 26.232 6.700 0.00 1.00 -ATOM 1111 C1f BOT B 1 12.894 28.359 0.000 0.00 1.00 -ATOM 1112 C1g BOT B 1 12.894 28.359 3.350 0.00 1.00 -ATOM 1113 C1h BOT B 1 12.894 28.359 6.700 0.00 1.00 -ATOM 1114 C1i BOT B 1 11.666 0.709 0.000 0.00 1.00 -ATOM 1115 C1j BOT B 1 11.666 0.709 3.350 0.00 1.00 -ATOM 1116 C1k BOT B 1 11.666 0.709 6.700 0.00 1.00 -ATOM 1117 C1l BOT B 1 10.438 2.836 0.000 0.00 1.00 -ATOM 1118 C1m BOT B 1 10.438 2.836 3.350 0.00 1.00 -ATOM 1119 C1n BOT B 1 10.438 2.836 6.700 0.00 1.00 -ATOM 1120 C1o BOT B 1 9.210 4.963 0.000 0.00 1.00 -ATOM 1121 C1p BOT B 1 9.210 4.963 3.350 0.00 1.00 -ATOM 1122 C1q BOT B 1 9.210 4.963 6.700 0.00 1.00 -ATOM 1123 C1r BOT B 1 7.982 7.090 0.000 0.00 1.00 -ATOM 1124 C1s BOT B 1 7.982 7.090 3.350 0.00 1.00 -ATOM 1125 C1t BOT B 1 7.982 7.090 6.700 0.00 1.00 -ATOM 1126 C1u BOT B 1 6.754 9.217 0.000 0.00 1.00 -ATOM 1127 C1v BOT B 1 6.754 9.217 3.350 0.00 1.00 -ATOM 1128 C1w BOT B 1 6.754 9.217 6.700 0.00 1.00 -ATOM 1129 C1x BOT B 1 5.526 11.344 0.000 0.00 1.00 -ATOM 1130 C1y BOT B 1 5.526 11.344 3.350 0.00 1.00 -ATOM 1131 C1z BOT B 1 5.526 11.344 6.700 0.00 1.00 -ATOM 1132 C20 BOT B 1 4.298 13.471 0.000 0.00 1.00 -ATOM 1133 C21 BOT B 1 4.298 13.471 3.350 0.00 1.00 -ATOM 1134 C22 BOT B 1 4.298 13.471 6.700 0.00 1.00 -ATOM 1135 C23 BOT B 1 22.718 15.597 0.000 0.00 1.00 -ATOM 1136 C24 BOT B 1 22.718 15.597 3.350 0.00 1.00 -ATOM 1137 C25 BOT B 1 22.718 15.597 6.700 0.00 1.00 -ATOM 1138 C26 BOT B 1 21.490 17.724 0.000 0.00 1.00 -ATOM 1139 C27 BOT B 1 21.490 17.724 3.350 0.00 1.00 -ATOM 1140 C28 BOT B 1 21.490 17.724 6.700 0.00 1.00 -ATOM 1141 C29 BOT B 1 20.262 19.851 0.000 0.00 1.00 -ATOM 1142 C2A BOT B 1 20.262 19.851 3.350 0.00 1.00 -ATOM 1143 C2B BOT B 1 20.262 19.851 6.700 0.00 1.00 -ATOM 1144 C2C BOT B 1 19.034 21.978 0.000 0.00 1.00 -ATOM 1145 C2D BOT B 1 19.034 21.978 3.350 0.00 1.00 -ATOM 1146 C2E BOT B 1 19.034 21.978 6.700 0.00 1.00 -ATOM 1147 C2F BOT B 1 17.806 24.105 0.000 0.00 1.00 -ATOM 1148 C2G BOT B 1 17.806 24.105 3.350 0.00 1.00 -ATOM 1149 C2H BOT B 1 17.806 24.105 6.700 0.00 1.00 -ATOM 1150 C2I BOT B 1 16.578 26.232 0.000 0.00 1.00 -ATOM 1151 C2J BOT B 1 16.578 26.232 3.350 0.00 1.00 -ATOM 1152 C2K BOT B 1 16.578 26.232 6.700 0.00 1.00 -ATOM 1153 C2L BOT B 1 15.350 28.359 0.000 0.00 1.00 -ATOM 1154 C2M BOT B 1 15.350 28.359 3.350 0.00 1.00 -ATOM 1155 C2N BOT B 1 15.350 28.359 6.700 0.00 1.00 -ATOM 1156 C2O BOT B 1 14.122 0.709 0.000 0.00 1.00 -ATOM 1157 C2P BOT B 1 14.122 0.709 3.350 0.00 1.00 -ATOM 1158 C2Q BOT B 1 14.122 0.709 6.700 0.00 1.00 -ATOM 1159 C2R BOT B 1 12.894 2.836 0.000 0.00 1.00 -ATOM 1160 C2S BOT B 1 12.894 2.836 3.350 0.00 1.00 -ATOM 1161 C2T BOT B 1 12.894 2.836 6.700 0.00 1.00 -ATOM 1162 C2U BOT B 1 11.666 4.963 0.000 0.00 1.00 -ATOM 1163 C2V BOT B 1 11.666 4.963 3.350 0.00 1.00 -ATOM 1164 C2W BOT B 1 11.666 4.963 6.700 0.00 1.00 -ATOM 1165 C2X BOT B 1 10.438 7.090 0.000 0.00 1.00 -ATOM 1166 C2Y BOT B 1 10.438 7.090 3.350 0.00 1.00 -ATOM 1167 C2Z BOT B 1 10.438 7.090 6.700 0.00 1.00 -ATOM 1168 C2a BOT B 1 9.210 9.217 0.000 0.00 1.00 -ATOM 1169 C2b BOT B 1 9.210 9.217 3.350 0.00 1.00 -ATOM 1170 C2c BOT B 1 9.210 9.217 6.700 0.00 1.00 -ATOM 1171 C2d BOT B 1 7.982 11.344 0.000 0.00 1.00 -ATOM 1172 C2e BOT B 1 7.982 11.344 3.350 0.00 1.00 -ATOM 1173 C2f BOT B 1 7.982 11.344 6.700 0.00 1.00 -ATOM 1174 C2g BOT B 1 6.754 13.471 0.000 0.00 1.00 -ATOM 1175 C2h BOT B 1 6.754 13.471 3.350 0.00 1.00 -ATOM 1176 C2i BOT B 1 6.754 13.471 6.700 0.00 1.00 -ATOM 1177 C2j BOT B 1 25.174 15.597 0.000 0.00 1.00 -ATOM 1178 C2k BOT B 1 25.174 15.597 3.350 0.00 1.00 -ATOM 1179 C2l BOT B 1 25.174 15.597 6.700 0.00 1.00 -ATOM 1180 C2m BOT B 1 23.946 17.724 0.000 0.00 1.00 -ATOM 1181 C2n BOT B 1 23.946 17.724 3.350 0.00 1.00 -ATOM 1182 C2o BOT B 1 23.946 17.724 6.700 0.00 1.00 -ATOM 1183 C2p BOT B 1 22.718 19.851 0.000 0.00 1.00 -ATOM 1184 C2q BOT B 1 22.718 19.851 3.350 0.00 1.00 -ATOM 1185 C2r BOT B 1 22.718 19.851 6.700 0.00 1.00 -ATOM 1186 C2s BOT B 1 21.490 21.978 0.000 0.00 1.00 -ATOM 1187 C2t BOT B 1 21.490 21.978 3.350 0.00 1.00 -ATOM 1188 C2u BOT B 1 21.490 21.978 6.700 0.00 1.00 -ATOM 1189 C2v BOT B 1 20.262 24.105 0.000 0.00 1.00 -ATOM 1190 C2w BOT B 1 20.262 24.105 3.350 0.00 1.00 -ATOM 1191 C2x BOT B 1 20.262 24.105 6.700 0.00 1.00 -ATOM 1192 C2y BOT B 1 19.034 26.232 0.000 0.00 1.00 -ATOM 1193 C2z BOT B 1 19.034 26.232 3.350 0.00 1.00 -ATOM 1194 C30 BOT B 1 19.034 26.232 6.700 0.00 1.00 -ATOM 1195 C31 BOT B 1 17.806 28.359 0.000 0.00 1.00 -ATOM 1196 C32 BOT B 1 17.806 28.359 3.350 0.00 1.00 -ATOM 1197 C33 BOT B 1 17.806 28.359 6.700 0.00 1.00 -ATOM 1198 C34 BOT B 1 16.578 0.709 0.000 0.00 1.00 -ATOM 1199 C35 BOT B 1 16.578 0.709 3.350 0.00 1.00 -ATOM 1200 C36 BOT B 1 16.578 0.709 6.700 0.00 1.00 -ATOM 1201 C37 BOT B 1 15.350 2.836 0.000 0.00 1.00 -ATOM 1202 C38 BOT B 1 15.350 2.836 3.350 0.00 1.00 -ATOM 1203 C39 BOT B 1 15.350 2.836 6.700 0.00 1.00 -ATOM 1204 C3A BOT B 1 14.122 4.963 0.000 0.00 1.00 -ATOM 1205 C3B BOT B 1 14.122 4.963 3.350 0.00 1.00 -ATOM 1206 C3C BOT B 1 14.122 4.963 6.700 0.00 1.00 -ATOM 1207 C3D BOT B 1 12.894 7.090 0.000 0.00 1.00 -ATOM 1208 C3E BOT B 1 12.894 7.090 3.350 0.00 1.00 -ATOM 1209 C3F BOT B 1 12.894 7.090 6.700 0.00 1.00 -ATOM 1210 C3G BOT B 1 11.666 9.217 0.000 0.00 1.00 -ATOM 1211 C3H BOT B 1 11.666 9.217 3.350 0.00 1.00 -ATOM 1212 C3I BOT B 1 11.666 9.217 6.700 0.00 1.00 -ATOM 1213 C3J BOT B 1 10.438 11.344 0.000 0.00 1.00 -ATOM 1214 C3K BOT B 1 10.438 11.344 3.350 0.00 1.00 -ATOM 1215 C3L BOT B 1 10.438 11.344 6.700 0.00 1.00 -ATOM 1216 C3M BOT B 1 9.210 13.471 0.000 0.00 1.00 -ATOM 1217 C3N BOT B 1 9.210 13.471 3.350 0.00 1.00 -ATOM 1218 C3O BOT B 1 9.210 13.471 6.700 0.00 1.00 -ATOM 1219 C3P BOT B 1 27.630 15.597 0.000 0.00 1.00 -ATOM 1220 C3Q BOT B 1 27.630 15.597 3.350 0.00 1.00 -ATOM 1221 C3R BOT B 1 27.630 15.597 6.700 0.00 1.00 -ATOM 1222 C3S BOT B 1 26.402 17.724 0.000 0.00 1.00 -ATOM 1223 C3T BOT B 1 26.402 17.724 3.350 0.00 1.00 -ATOM 1224 C3U BOT B 1 26.402 17.724 6.700 0.00 1.00 -ATOM 1225 C3V BOT B 1 25.174 19.851 0.000 0.00 1.00 -ATOM 1226 C3W BOT B 1 25.174 19.851 3.350 0.00 1.00 -ATOM 1227 C3X BOT B 1 25.174 19.851 6.700 0.00 1.00 -ATOM 1228 C3Y BOT B 1 23.946 21.978 0.000 0.00 1.00 -ATOM 1229 C3Z BOT B 1 23.946 21.978 3.350 0.00 1.00 -ATOM 1230 C3a BOT B 1 23.946 21.978 6.700 0.00 1.00 -ATOM 1231 C3b BOT B 1 22.718 24.105 0.000 0.00 1.00 -ATOM 1232 C3c BOT B 1 22.718 24.105 3.350 0.00 1.00 -ATOM 1233 C3d BOT B 1 22.718 24.105 6.700 0.00 1.00 -ATOM 1234 C3e BOT B 1 21.490 26.232 0.000 0.00 1.00 -ATOM 1235 C3f BOT B 1 21.490 26.232 3.350 0.00 1.00 -ATOM 1236 C3g BOT B 1 21.490 26.232 6.700 0.00 1.00 -ATOM 1237 C3h BOT B 1 20.262 28.359 0.000 0.00 1.00 -ATOM 1238 C3i BOT B 1 20.262 28.359 3.350 0.00 1.00 -ATOM 1239 C3j BOT B 1 20.262 28.359 6.700 0.00 1.00 -ATOM 1240 C3k BOT B 1 19.034 0.709 0.000 0.00 1.00 -ATOM 1241 C3l BOT B 1 19.034 0.709 3.350 0.00 1.00 -ATOM 1242 C3m BOT B 1 19.034 0.709 6.700 0.00 1.00 -ATOM 1243 C3n BOT B 1 17.806 2.836 0.000 0.00 1.00 -ATOM 1244 C3o BOT B 1 17.806 2.836 3.350 0.00 1.00 -ATOM 1245 C3p BOT B 1 17.806 2.836 6.700 0.00 1.00 -ATOM 1246 C3q BOT B 1 16.578 4.963 0.000 0.00 1.00 -ATOM 1247 C3r BOT B 1 16.578 4.963 3.350 0.00 1.00 -ATOM 1248 C3s BOT B 1 16.578 4.963 6.700 0.00 1.00 -ATOM 1249 C3t BOT B 1 15.350 7.090 0.000 0.00 1.00 -ATOM 1250 C3u BOT B 1 15.350 7.090 3.350 0.00 1.00 -ATOM 1251 C3v BOT B 1 15.350 7.090 6.700 0.00 1.00 -ATOM 1252 C3w BOT B 1 14.122 9.217 0.000 0.00 1.00 -ATOM 1253 C3x BOT B 1 14.122 9.217 3.350 0.00 1.00 -ATOM 1254 C3y BOT B 1 14.122 9.217 6.700 0.00 1.00 -ATOM 1255 C3z BOT B 1 12.894 11.344 0.000 0.00 1.00 -ATOM 1256 C40 BOT B 1 12.894 11.344 3.350 0.00 1.00 -ATOM 1257 C41 BOT B 1 12.894 11.344 6.700 0.00 1.00 -ATOM 1258 C42 BOT B 1 11.666 13.471 0.000 0.00 1.00 -ATOM 1259 C43 BOT B 1 11.666 13.471 3.350 0.00 1.00 -ATOM 1260 C44 BOT B 1 11.666 13.471 6.700 0.00 1.00 -ATOM 1261 C45 BOT B 1 0.614 15.597 0.000 0.00 1.00 -ATOM 1262 C46 BOT B 1 0.614 15.597 3.350 0.00 1.00 -ATOM 1263 C47 BOT B 1 0.614 15.597 6.700 0.00 1.00 -ATOM 1264 C48 BOT B 1 28.858 17.724 0.000 0.00 1.00 -ATOM 1265 C49 BOT B 1 28.858 17.724 3.350 0.00 1.00 -ATOM 1266 C4A BOT B 1 28.858 17.724 6.700 0.00 1.00 -ATOM 1267 C4B BOT B 1 27.630 19.851 0.000 0.00 1.00 -ATOM 1268 C4C BOT B 1 27.630 19.851 3.350 0.00 1.00 -ATOM 1269 C4D BOT B 1 27.630 19.851 6.700 0.00 1.00 -ATOM 1270 C4E BOT B 1 26.402 21.978 0.000 0.00 1.00 -ATOM 1271 C4F BOT B 1 26.402 21.978 3.350 0.00 1.00 -ATOM 1272 C4G BOT B 1 26.402 21.978 6.700 0.00 1.00 -ATOM 1273 C4H BOT B 1 25.174 24.105 0.000 0.00 1.00 -ATOM 1274 C4I BOT B 1 25.174 24.105 3.350 0.00 1.00 -ATOM 1275 C4J BOT B 1 25.174 24.105 6.700 0.00 1.00 -ATOM 1276 C4K BOT B 1 23.946 26.232 0.000 0.00 1.00 -ATOM 1277 C4L BOT B 1 23.946 26.232 3.350 0.00 1.00 -ATOM 1278 C4M BOT B 1 23.946 26.232 6.700 0.00 1.00 -ATOM 1279 C4N BOT B 1 22.718 28.359 0.000 0.00 1.00 -ATOM 1280 C4O BOT B 1 22.718 28.359 3.350 0.00 1.00 -ATOM 1281 C4P BOT B 1 22.718 28.359 6.700 0.00 1.00 -ATOM 1282 C4Q BOT B 1 21.490 0.709 0.000 0.00 1.00 -ATOM 1283 C4R BOT B 1 21.490 0.709 3.350 0.00 1.00 -ATOM 1284 C4S BOT B 1 21.490 0.709 6.700 0.00 1.00 -ATOM 1285 C4T BOT B 1 20.262 2.836 0.000 0.00 1.00 -ATOM 1286 C4U BOT B 1 20.262 2.836 3.350 0.00 1.00 -ATOM 1287 C4V BOT B 1 20.262 2.836 6.700 0.00 1.00 -ATOM 1288 C4W BOT B 1 19.034 4.963 0.000 0.00 1.00 -ATOM 1289 C4X BOT B 1 19.034 4.963 3.350 0.00 1.00 -ATOM 1290 C4Y BOT B 1 19.034 4.963 6.700 0.00 1.00 -ATOM 1291 C4Z BOT B 1 17.806 7.090 0.000 0.00 1.00 -ATOM 1292 C4a BOT B 1 17.806 7.090 3.350 0.00 1.00 -ATOM 1293 C4b BOT B 1 17.806 7.090 6.700 0.00 1.00 -ATOM 1294 C4c BOT B 1 16.578 9.217 0.000 0.00 1.00 -ATOM 1295 C4d BOT B 1 16.578 9.217 3.350 0.00 1.00 -ATOM 1296 C4e BOT B 1 16.578 9.217 6.700 0.00 1.00 -ATOM 1297 C4f BOT B 1 15.350 11.344 0.000 0.00 1.00 -ATOM 1298 C4g BOT B 1 15.350 11.344 3.350 0.00 1.00 -ATOM 1299 C4h BOT B 1 15.350 11.344 6.700 0.00 1.00 -ATOM 1300 C4i BOT B 1 14.122 13.471 0.000 0.00 1.00 -ATOM 1301 C4j BOT B 1 14.122 13.471 3.350 0.00 1.00 -ATOM 1302 C4k BOT B 1 14.122 13.471 6.700 0.00 1.00 -ATOM 1303 C4l BOT B 1 3.070 15.597 0.000 0.00 1.00 -ATOM 1304 C4m BOT B 1 3.070 15.597 3.350 0.00 1.00 -ATOM 1305 C4n BOT B 1 3.070 15.597 6.700 0.00 1.00 -ATOM 1306 C4o BOT B 1 1.842 17.724 0.000 0.00 1.00 -ATOM 1307 C4p BOT B 1 1.842 17.724 3.350 0.00 1.00 -ATOM 1308 C4q BOT B 1 1.842 17.724 6.700 0.00 1.00 -ATOM 1309 C4r BOT B 1 0.614 19.851 0.000 0.00 1.00 -ATOM 1310 C4s BOT B 1 0.614 19.851 3.350 0.00 1.00 -ATOM 1311 C4t BOT B 1 0.614 19.851 6.700 0.00 1.00 -ATOM 1312 C4u BOT B 1 28.858 21.978 0.000 0.00 1.00 -ATOM 1313 C4v BOT B 1 28.858 21.978 3.350 0.00 1.00 -ATOM 1314 C4w BOT B 1 28.858 21.978 6.700 0.00 1.00 -ATOM 1315 C4x BOT B 1 27.630 24.105 0.000 0.00 1.00 -ATOM 1316 C4y BOT B 1 27.630 24.105 3.350 0.00 1.00 -ATOM 1317 C4z BOT B 1 27.630 24.105 6.700 0.00 1.00 -ATOM 1318 C50 BOT B 1 26.402 26.232 0.000 0.00 1.00 -ATOM 1319 C51 BOT B 1 26.402 26.232 3.350 0.00 1.00 -ATOM 1320 C52 BOT B 1 26.402 26.232 6.700 0.00 1.00 -ATOM 1321 C53 BOT B 1 25.174 28.359 0.000 0.00 1.00 -ATOM 1322 C54 BOT B 1 25.174 28.359 3.350 0.00 1.00 -ATOM 1323 C55 BOT B 1 25.174 28.359 6.700 0.00 1.00 -ATOM 1324 C56 BOT B 1 23.946 0.709 0.000 0.00 1.00 -ATOM 1325 C57 BOT B 1 23.946 0.709 3.350 0.00 1.00 -ATOM 1326 C58 BOT B 1 23.946 0.709 6.700 0.00 1.00 -ATOM 1327 C59 BOT B 1 22.718 2.836 0.000 0.00 1.00 -ATOM 1328 C5A BOT B 1 22.718 2.836 3.350 0.00 1.00 -ATOM 1329 C5B BOT B 1 22.718 2.836 6.700 0.00 1.00 -ATOM 1330 C5C BOT B 1 21.490 4.963 0.000 0.00 1.00 -ATOM 1331 C5D BOT B 1 21.490 4.963 3.350 0.00 1.00 -ATOM 1332 C5E BOT B 1 21.490 4.963 6.700 0.00 1.00 -ATOM 1333 C5F BOT B 1 20.262 7.090 0.000 0.00 1.00 -ATOM 1334 C5G BOT B 1 20.262 7.090 3.350 0.00 1.00 -ATOM 1335 C5H BOT B 1 20.262 7.090 6.700 0.00 1.00 -ATOM 1336 C5I BOT B 1 19.034 9.217 0.000 0.00 1.00 -ATOM 1337 C5J BOT B 1 19.034 9.217 3.350 0.00 1.00 -ATOM 1338 C5K BOT B 1 19.034 9.217 6.700 0.00 1.00 -ATOM 1339 C5L BOT B 1 17.806 11.344 0.000 0.00 1.00 -ATOM 1340 C5M BOT B 1 17.806 11.344 3.350 0.00 1.00 -ATOM 1341 C5N BOT B 1 17.806 11.344 6.700 0.00 1.00 -ATOM 1342 C5O BOT B 1 16.578 13.471 0.000 0.00 1.00 -ATOM 1343 C5P BOT B 1 16.578 13.471 3.350 0.00 1.00 -ATOM 1344 C5Q BOT B 1 16.578 13.471 6.700 0.00 1.00 -ATOM 1345 C5R BOT B 1 5.526 15.597 0.000 0.00 1.00 -ATOM 1346 C5S BOT B 1 5.526 15.597 3.350 0.00 1.00 -ATOM 1347 C5T BOT B 1 5.526 15.597 6.700 0.00 1.00 -ATOM 1348 C5U BOT B 1 4.298 17.724 0.000 0.00 1.00 -ATOM 1349 C5V BOT B 1 4.298 17.724 3.350 0.00 1.00 -ATOM 1350 C5W BOT B 1 4.298 17.724 6.700 0.00 1.00 -ATOM 1351 C5X BOT B 1 3.070 19.851 0.000 0.00 1.00 -ATOM 1352 C5Y BOT B 1 3.070 19.851 3.350 0.00 1.00 -ATOM 1353 C5Z BOT B 1 3.070 19.851 6.700 0.00 1.00 -ATOM 1354 C5a BOT B 1 1.842 21.978 0.000 0.00 1.00 -ATOM 1355 C5b BOT B 1 1.842 21.978 3.350 0.00 1.00 -ATOM 1356 C5c BOT B 1 1.842 21.978 6.700 0.00 1.00 -ATOM 1357 C5d BOT B 1 0.614 24.105 0.000 0.00 1.00 -ATOM 1358 C5e BOT B 1 0.614 24.105 3.350 0.00 1.00 -ATOM 1359 C5f BOT B 1 0.614 24.105 6.700 0.00 1.00 -ATOM 1360 C5g BOT B 1 28.858 26.232 0.000 0.00 1.00 -ATOM 1361 C5h BOT B 1 28.858 26.232 3.350 0.00 1.00 -ATOM 1362 C5i BOT B 1 28.858 26.232 6.700 0.00 1.00 -ATOM 1363 C5j BOT B 1 27.630 28.359 0.000 0.00 1.00 -ATOM 1364 C5k BOT B 1 27.630 28.359 3.350 0.00 1.00 -ATOM 1365 C5l BOT B 1 27.630 28.359 6.700 0.00 1.00 -ATOM 1366 C5m BOT B 1 26.402 0.709 0.000 0.00 1.00 -ATOM 1367 C5n BOT B 1 26.402 0.709 3.350 0.00 1.00 -ATOM 1368 C5o BOT B 1 26.402 0.709 6.700 0.00 1.00 -ATOM 1369 C5p BOT B 1 25.174 2.836 0.000 0.00 1.00 -ATOM 1370 C5q BOT B 1 25.174 2.836 3.350 0.00 1.00 -ATOM 1371 C5r BOT B 1 25.174 2.836 6.700 0.00 1.00 -ATOM 1372 C5s BOT B 1 23.946 4.963 0.000 0.00 1.00 -ATOM 1373 C5t BOT B 1 23.946 4.963 3.350 0.00 1.00 -ATOM 1374 C5u BOT B 1 23.946 4.963 6.700 0.00 1.00 -ATOM 1375 C5v BOT B 1 22.718 7.090 0.000 0.00 1.00 -ATOM 1376 C5w BOT B 1 22.718 7.090 3.350 0.00 1.00 -ATOM 1377 C5x BOT B 1 22.718 7.090 6.700 0.00 1.00 -ATOM 1378 C5y BOT B 1 21.490 9.217 0.000 0.00 1.00 -ATOM 1379 C5z BOT B 1 21.490 9.217 3.350 0.00 1.00 -ATOM 1380 C60 BOT B 1 21.490 9.217 6.700 0.00 1.00 -ATOM 1381 C61 BOT B 1 20.262 11.344 0.000 0.00 1.00 -ATOM 1382 C62 BOT B 1 20.262 11.344 3.350 0.00 1.00 -ATOM 1383 C63 BOT B 1 20.262 11.344 6.700 0.00 1.00 -ATOM 1384 C64 BOT B 1 19.034 13.471 0.000 0.00 1.00 -ATOM 1385 C65 BOT B 1 19.034 13.471 3.350 0.00 1.00 -ATOM 1386 C66 BOT B 1 19.034 13.471 6.700 0.00 1.00 -ATOM 1387 C67 BOT B 1 7.982 15.597 0.000 0.00 1.00 -ATOM 1388 C68 BOT B 1 7.982 15.597 3.350 0.00 1.00 -ATOM 1389 C69 BOT B 1 7.982 15.597 6.700 0.00 1.00 -ATOM 1390 C6A BOT B 1 6.754 17.724 0.000 0.00 1.00 -ATOM 1391 C6B BOT B 1 6.754 17.724 3.350 0.00 1.00 -ATOM 1392 C6C BOT B 1 6.754 17.724 6.700 0.00 1.00 -ATOM 1393 C6D BOT B 1 5.526 19.851 0.000 0.00 1.00 -ATOM 1394 C6E BOT B 1 5.526 19.851 3.350 0.00 1.00 -ATOM 1395 C6F BOT B 1 5.526 19.851 6.700 0.00 1.00 -ATOM 1396 C6G BOT B 1 4.298 21.978 0.000 0.00 1.00 -ATOM 1397 C6H BOT B 1 4.298 21.978 3.350 0.00 1.00 -ATOM 1398 C6I BOT B 1 4.298 21.978 6.700 0.00 1.00 -ATOM 1399 C6J BOT B 1 3.070 24.105 0.000 0.00 1.00 -ATOM 1400 C6K BOT B 1 3.070 24.105 3.350 0.00 1.00 -ATOM 1401 C6L BOT B 1 3.070 24.105 6.700 0.00 1.00 -ATOM 1402 C6M BOT B 1 1.842 26.232 0.000 0.00 1.00 -ATOM 1403 C6N BOT B 1 1.842 26.232 3.350 0.00 1.00 -ATOM 1404 C6O BOT B 1 1.842 26.232 6.700 0.00 1.00 -ATOM 1405 C6P BOT B 1 0.614 28.359 0.000 0.00 1.00 -ATOM 1406 C6Q BOT B 1 0.614 28.359 3.350 0.00 1.00 -ATOM 1407 C6R BOT B 1 0.614 28.359 6.700 0.00 1.00 -ATOM 1408 C6S BOT B 1 28.858 0.709 0.000 0.00 1.00 -ATOM 1409 C6T BOT B 1 28.858 0.709 3.350 0.00 1.00 -ATOM 1410 C6U BOT B 1 28.858 0.709 6.700 0.00 1.00 -ATOM 1411 C6V BOT B 1 27.630 2.836 0.000 0.00 1.00 -ATOM 1412 C6W BOT B 1 27.630 2.836 3.350 0.00 1.00 -ATOM 1413 C6X BOT B 1 27.630 2.836 6.700 0.00 1.00 -ATOM 1414 C6Y BOT B 1 26.402 4.963 0.000 0.00 1.00 -ATOM 1415 C6Z BOT B 1 26.402 4.963 3.350 0.00 1.00 -ATOM 1416 C6a BOT B 1 26.402 4.963 6.700 0.00 1.00 -ATOM 1417 C6b BOT B 1 25.174 7.090 0.000 0.00 1.00 -ATOM 1418 C6c BOT B 1 25.174 7.090 3.350 0.00 1.00 -ATOM 1419 C6d BOT B 1 25.174 7.090 6.700 0.00 1.00 -ATOM 1420 C6e BOT B 1 23.946 9.217 0.000 0.00 1.00 -ATOM 1421 C6f BOT B 1 23.946 9.217 3.350 0.00 1.00 -ATOM 1422 C6g BOT B 1 23.946 9.217 6.700 0.00 1.00 -ATOM 1423 C6h BOT B 1 22.718 11.344 0.000 0.00 1.00 -ATOM 1424 C6i BOT B 1 22.718 11.344 3.350 0.00 1.00 -ATOM 1425 C6j BOT B 1 22.718 11.344 6.700 0.00 1.00 -ATOM 1426 C6k BOT B 1 21.490 13.471 0.000 0.00 1.00 -ATOM 1427 C6l BOT B 1 21.490 13.471 3.350 0.00 1.00 -ATOM 1428 C6m BOT B 1 21.490 13.471 6.700 0.00 1.00 -ATOM 1429 C6n BOT B 1 10.438 15.597 0.000 0.00 1.00 -ATOM 1430 C6o BOT B 1 10.438 15.597 3.350 0.00 1.00 -ATOM 1431 C6p BOT B 1 10.438 15.597 6.700 0.00 1.00 -ATOM 1432 C6q BOT B 1 9.210 17.724 0.000 0.00 1.00 -ATOM 1433 C6r BOT B 1 9.210 17.724 3.350 0.00 1.00 -ATOM 1434 C6s BOT B 1 9.210 17.724 6.700 0.00 1.00 -ATOM 1435 C6t BOT B 1 7.982 19.851 0.000 0.00 1.00 -ATOM 1436 C6u BOT B 1 7.982 19.851 3.350 0.00 1.00 -ATOM 1437 C6v BOT B 1 7.982 19.851 6.700 0.00 1.00 -ATOM 1438 C6w BOT B 1 6.754 21.978 0.000 0.00 1.00 -ATOM 1439 C6x BOT B 1 6.754 21.978 3.350 0.00 1.00 -ATOM 1440 C6y BOT B 1 6.754 21.978 6.700 0.00 1.00 -ATOM 1441 C6z BOT B 1 5.526 24.105 0.000 0.00 1.00 -ATOM 1442 C70 BOT B 1 5.526 24.105 3.350 0.00 1.00 -ATOM 1443 C71 BOT B 1 5.526 24.105 6.700 0.00 1.00 -ATOM 1444 C72 BOT B 1 4.298 26.232 0.000 0.00 1.00 -ATOM 1445 C73 BOT B 1 4.298 26.232 3.350 0.00 1.00 -ATOM 1446 C74 BOT B 1 4.298 26.232 6.700 0.00 1.00 -ATOM 1447 C75 BOT B 1 3.070 28.359 0.000 0.00 1.00 -ATOM 1448 C76 BOT B 1 3.070 28.359 3.350 0.00 1.00 -ATOM 1449 C77 BOT B 1 3.070 28.359 6.700 0.00 1.00 -ATOM 1450 C78 BOT B 1 1.842 0.709 0.000 0.00 1.00 -ATOM 1451 C79 BOT B 1 1.842 0.709 3.350 0.00 1.00 -ATOM 1452 C7A BOT B 1 1.842 0.709 6.700 0.00 1.00 -ATOM 1453 C7B BOT B 1 0.614 2.836 0.000 0.00 1.00 -ATOM 1454 C7C BOT B 1 0.614 2.836 3.350 0.00 1.00 -ATOM 1455 C7D BOT B 1 0.614 2.836 6.700 0.00 1.00 -ATOM 1456 C7E BOT B 1 28.858 4.963 0.000 0.00 1.00 -ATOM 1457 C7F BOT B 1 28.858 4.963 3.350 0.00 1.00 -ATOM 1458 C7G BOT B 1 28.858 4.963 6.700 0.00 1.00 -ATOM 1459 C7H BOT B 1 27.630 7.090 0.000 0.00 1.00 -ATOM 1460 C7I BOT B 1 27.630 7.090 3.350 0.00 1.00 -ATOM 1461 C7J BOT B 1 27.630 7.090 6.700 0.00 1.00 -ATOM 1462 C7K BOT B 1 26.402 9.217 0.000 0.00 1.00 -ATOM 1463 C7L BOT B 1 26.402 9.217 3.350 0.00 1.00 -ATOM 1464 C7M BOT B 1 26.402 9.217 6.700 0.00 1.00 -ATOM 1465 C7N BOT B 1 25.174 11.344 0.000 0.00 1.00 -ATOM 1466 C7O BOT B 1 25.174 11.344 3.350 0.00 1.00 -ATOM 1467 C7P BOT B 1 25.174 11.344 6.700 0.00 1.00 -ATOM 1468 C7Q BOT B 1 23.946 13.471 0.000 0.00 1.00 -ATOM 1469 C7R BOT B 1 23.946 13.471 3.350 0.00 1.00 -ATOM 1470 C7S BOT B 1 23.946 13.471 6.700 0.00 1.00 -ATOM 1471 C7T BOT B 1 12.894 15.597 0.000 0.00 1.00 -ATOM 1472 C7U BOT B 1 12.894 15.597 3.350 0.00 1.00 -ATOM 1473 C7V BOT B 1 12.894 15.597 6.700 0.00 1.00 -ATOM 1474 C7W BOT B 1 11.666 17.724 0.000 0.00 1.00 -ATOM 1475 C7X BOT B 1 11.666 17.724 3.350 0.00 1.00 -ATOM 1476 C7Y BOT B 1 11.666 17.724 6.700 0.00 1.00 -ATOM 1477 C7Z BOT B 1 10.438 19.851 0.000 0.00 1.00 -ATOM 1478 C7a BOT B 1 10.438 19.851 3.350 0.00 1.00 -ATOM 1479 C7b BOT B 1 10.438 19.851 6.700 0.00 1.00 -ATOM 1480 C7c BOT B 1 9.210 21.978 0.000 0.00 1.00 -ATOM 1481 C7d BOT B 1 9.210 21.978 3.350 0.00 1.00 -ATOM 1482 C7e BOT B 1 9.210 21.978 6.700 0.00 1.00 -ATOM 1483 C7f BOT B 1 7.982 24.105 0.000 0.00 1.00 -ATOM 1484 C7g BOT B 1 7.982 24.105 3.350 0.00 1.00 -ATOM 1485 C7h BOT B 1 7.982 24.105 6.700 0.00 1.00 -ATOM 1486 C7i BOT B 1 6.754 26.232 0.000 0.00 1.00 -ATOM 1487 C7j BOT B 1 6.754 26.232 3.350 0.00 1.00 -ATOM 1488 C7k BOT B 1 6.754 26.232 6.700 0.00 1.00 -ATOM 1489 C7l BOT B 1 5.526 28.359 0.000 0.00 1.00 -ATOM 1490 C7m BOT B 1 5.526 28.359 3.350 0.00 1.00 -ATOM 1491 C7n BOT B 1 5.526 28.359 6.700 0.00 1.00 -ATOM 1492 C7o BOT B 1 4.298 0.709 0.000 0.00 1.00 -ATOM 1493 C7p BOT B 1 4.298 0.709 3.350 0.00 1.00 -ATOM 1494 C7q BOT B 1 4.298 0.709 6.700 0.00 1.00 -ATOM 1495 C7r BOT B 1 3.070 2.836 0.000 0.00 1.00 -ATOM 1496 C7s BOT B 1 3.070 2.836 3.350 0.00 1.00 -ATOM 1497 C7t BOT B 1 3.070 2.836 6.700 0.00 1.00 -ATOM 1498 C7u BOT B 1 1.842 4.963 0.000 0.00 1.00 -ATOM 1499 C7v BOT B 1 1.842 4.963 3.350 0.00 1.00 -ATOM 1500 C7w BOT B 1 1.842 4.963 6.700 0.00 1.00 -ATOM 1501 C7x BOT B 1 0.614 7.090 0.000 0.00 1.00 -ATOM 1502 C7y BOT B 1 0.614 7.090 3.350 0.00 1.00 -ATOM 1503 C7z BOT B 1 0.614 7.090 6.700 0.00 1.00 -ATOM 1504 C80 BOT B 1 28.858 9.217 0.000 0.00 1.00 -ATOM 1505 C81 BOT B 1 28.858 9.217 3.350 0.00 1.00 -ATOM 1506 C82 BOT B 1 28.858 9.217 6.700 0.00 1.00 -ATOM 1507 C83 BOT B 1 27.630 11.344 0.000 0.00 1.00 -ATOM 1508 C84 BOT B 1 27.630 11.344 3.350 0.00 1.00 -ATOM 1509 C85 BOT B 1 27.630 11.344 6.700 0.00 1.00 -ATOM 1510 C86 BOT B 1 26.402 13.471 0.000 0.00 1.00 -ATOM 1511 C87 BOT B 1 26.402 13.471 3.350 0.00 1.00 -ATOM 1512 C88 BOT B 1 26.402 13.471 6.700 0.00 1.00 -ATOM 1513 C89 BOT B 1 16.578 16.306 0.000 0.00 1.00 -ATOM 1514 C8A BOT B 1 16.578 16.306 3.350 0.00 1.00 -ATOM 1515 C8B BOT B 1 16.578 16.306 6.700 0.00 1.00 -ATOM 1516 C8C BOT B 1 15.350 18.433 0.000 0.00 1.00 -ATOM 1517 C8D BOT B 1 15.350 18.433 3.350 0.00 1.00 -ATOM 1518 C8E BOT B 1 15.350 18.433 6.700 0.00 1.00 -ATOM 1519 C8F BOT B 1 14.122 20.560 0.000 0.00 1.00 -ATOM 1520 C8G BOT B 1 14.122 20.560 3.350 0.00 1.00 -ATOM 1521 C8H BOT B 1 14.122 20.560 6.700 0.00 1.00 -ATOM 1522 C8I BOT B 1 12.894 22.687 0.000 0.00 1.00 -ATOM 1523 C8J BOT B 1 12.894 22.687 3.350 0.00 1.00 -ATOM 1524 C8K BOT B 1 12.894 22.687 6.700 0.00 1.00 -ATOM 1525 C8L BOT B 1 11.666 24.814 0.000 0.00 1.00 -ATOM 1526 C8M BOT B 1 11.666 24.814 3.350 0.00 1.00 -ATOM 1527 C8N BOT B 1 11.666 24.814 6.700 0.00 1.00 -ATOM 1528 C8O BOT B 1 10.438 26.941 0.000 0.00 1.00 -ATOM 1529 C8P BOT B 1 10.438 26.941 3.350 0.00 1.00 -ATOM 1530 C8Q BOT B 1 10.438 26.941 6.700 0.00 1.00 -ATOM 1531 C8R BOT B 1 9.210 29.068 0.000 0.00 1.00 -ATOM 1532 C8S BOT B 1 9.210 29.068 3.350 0.00 1.00 -ATOM 1533 C8T BOT B 1 9.210 29.068 6.700 0.00 1.00 -ATOM 1534 C8U BOT B 1 7.982 1.418 0.000 0.00 1.00 -ATOM 1535 C8V BOT B 1 7.982 1.418 3.350 0.00 1.00 -ATOM 1536 C8W BOT B 1 7.982 1.418 6.700 0.00 1.00 -ATOM 1537 C8X BOT B 1 6.754 3.545 0.000 0.00 1.00 -ATOM 1538 C8Y BOT B 1 6.754 3.545 3.350 0.00 1.00 -ATOM 1539 C8Z BOT B 1 6.754 3.545 6.700 0.00 1.00 -ATOM 1540 C8a BOT B 1 5.526 5.672 0.000 0.00 1.00 -ATOM 1541 C8b BOT B 1 5.526 5.672 3.350 0.00 1.00 -ATOM 1542 C8c BOT B 1 5.526 5.672 6.700 0.00 1.00 -ATOM 1543 C8d BOT B 1 4.298 7.799 0.000 0.00 1.00 -ATOM 1544 C8e BOT B 1 4.298 7.799 3.350 0.00 1.00 -ATOM 1545 C8f BOT B 1 4.298 7.799 6.700 0.00 1.00 -ATOM 1546 C8g BOT B 1 3.070 9.926 0.000 0.00 1.00 -ATOM 1547 C8h BOT B 1 3.070 9.926 3.350 0.00 1.00 -ATOM 1548 C8i BOT B 1 3.070 9.926 6.700 0.00 1.00 -ATOM 1549 C8j BOT B 1 1.842 12.053 0.000 0.00 1.00 -ATOM 1550 C8k BOT B 1 1.842 12.053 3.350 0.00 1.00 -ATOM 1551 C8l BOT B 1 1.842 12.053 6.700 0.00 1.00 -ATOM 1552 C8m BOT B 1 0.614 14.180 0.000 0.00 1.00 -ATOM 1553 C8n BOT B 1 0.614 14.180 3.350 0.00 1.00 -ATOM 1554 C8o BOT B 1 0.614 14.180 6.700 0.00 1.00 -ATOM 1555 C8p BOT B 1 19.034 16.306 0.000 0.00 1.00 -ATOM 1556 C8q BOT B 1 19.034 16.306 3.350 0.00 1.00 -ATOM 1557 C8r BOT B 1 19.034 16.306 6.700 0.00 1.00 -ATOM 1558 C8s BOT B 1 17.806 18.433 0.000 0.00 1.00 -ATOM 1559 C8t BOT B 1 17.806 18.433 3.350 0.00 1.00 -ATOM 1560 C8u BOT B 1 17.806 18.433 6.700 0.00 1.00 -ATOM 1561 C8v BOT B 1 16.578 20.560 0.000 0.00 1.00 -ATOM 1562 C8w BOT B 1 16.578 20.560 3.350 0.00 1.00 -ATOM 1563 C8x BOT B 1 16.578 20.560 6.700 0.00 1.00 -ATOM 1564 C8y BOT B 1 15.350 22.687 0.000 0.00 1.00 -ATOM 1565 C8z BOT B 1 15.350 22.687 3.350 0.00 1.00 -ATOM 1566 C90 BOT B 1 15.350 22.687 6.700 0.00 1.00 -ATOM 1567 C91 BOT B 1 14.122 24.814 0.000 0.00 1.00 -ATOM 1568 C92 BOT B 1 14.122 24.814 3.350 0.00 1.00 -ATOM 1569 C93 BOT B 1 14.122 24.814 6.700 0.00 1.00 -ATOM 1570 C94 BOT B 1 12.894 26.941 0.000 0.00 1.00 -ATOM 1571 C95 BOT B 1 12.894 26.941 3.350 0.00 1.00 -ATOM 1572 C96 BOT B 1 12.894 26.941 6.700 0.00 1.00 -ATOM 1573 C97 BOT B 1 11.666 29.068 0.000 0.00 1.00 -ATOM 1574 C98 BOT B 1 11.666 29.068 3.350 0.00 1.00 -ATOM 1575 C99 BOT B 1 11.666 29.068 6.700 0.00 1.00 -ATOM 1576 C9A BOT B 1 10.438 1.418 0.000 0.00 1.00 -ATOM 1577 C9B BOT B 1 10.438 1.418 3.350 0.00 1.00 -ATOM 1578 C9C BOT B 1 10.438 1.418 6.700 0.00 1.00 -ATOM 1579 C9D BOT B 1 9.210 3.545 0.000 0.00 1.00 -ATOM 1580 C9E BOT B 1 9.210 3.545 3.350 0.00 1.00 -ATOM 1581 C9F BOT B 1 9.210 3.545 6.700 0.00 1.00 -ATOM 1582 C9G BOT B 1 7.982 5.672 0.000 0.00 1.00 -ATOM 1583 C9H BOT B 1 7.982 5.672 3.350 0.00 1.00 -ATOM 1584 C9I BOT B 1 7.982 5.672 6.700 0.00 1.00 -ATOM 1585 C9J BOT B 1 6.754 7.799 0.000 0.00 1.00 -ATOM 1586 C9K BOT B 1 6.754 7.799 3.350 0.00 1.00 -ATOM 1587 C9L BOT B 1 6.754 7.799 6.700 0.00 1.00 -ATOM 1588 C9M BOT B 1 5.526 9.926 0.000 0.00 1.00 -ATOM 1589 C9N BOT B 1 5.526 9.926 3.350 0.00 1.00 -ATOM 1590 C9O BOT B 1 5.526 9.926 6.700 0.00 1.00 -ATOM 1591 C9P BOT B 1 4.298 12.053 0.000 0.00 1.00 -ATOM 1592 C9Q BOT B 1 4.298 12.053 3.350 0.00 1.00 -ATOM 1593 C9R BOT B 1 4.298 12.053 6.700 0.00 1.00 -ATOM 1594 C9S BOT B 1 3.070 14.180 0.000 0.00 1.00 -ATOM 1595 C9T BOT B 1 3.070 14.180 3.350 0.00 1.00 -ATOM 1596 C9U BOT B 1 3.070 14.180 6.700 0.00 1.00 -ATOM 1597 C9V BOT B 1 21.490 16.306 0.000 0.00 1.00 -ATOM 1598 C9W BOT B 1 21.490 16.306 3.350 0.00 1.00 -ATOM 1599 C9X BOT B 1 21.490 16.306 6.700 0.00 1.00 -ATOM 1600 C9Y BOT B 1 20.262 18.433 0.000 0.00 1.00 -ATOM 1601 C9Z BOT B 1 20.262 18.433 3.350 0.00 1.00 -ATOM 1602 C9a BOT B 1 20.262 18.433 6.700 0.00 1.00 -ATOM 1603 C9b BOT B 1 19.034 20.560 0.000 0.00 1.00 -ATOM 1604 C9c BOT B 1 19.034 20.560 3.350 0.00 1.00 -ATOM 1605 C9d BOT B 1 19.034 20.560 6.700 0.00 1.00 -ATOM 1606 C9e BOT B 1 17.806 22.687 0.000 0.00 1.00 -ATOM 1607 C9f BOT B 1 17.806 22.687 3.350 0.00 1.00 -ATOM 1608 C9g BOT B 1 17.806 22.687 6.700 0.00 1.00 -ATOM 1609 C9h BOT B 1 16.578 24.814 0.000 0.00 1.00 -ATOM 1610 C9i BOT B 1 16.578 24.814 3.350 0.00 1.00 -ATOM 1611 C9j BOT B 1 16.578 24.814 6.700 0.00 1.00 -ATOM 1612 C9k BOT B 1 15.350 26.941 0.000 0.00 1.00 -ATOM 1613 C9l BOT B 1 15.350 26.941 3.350 0.00 1.00 -ATOM 1614 C9m BOT B 1 15.350 26.941 6.700 0.00 1.00 -ATOM 1615 C9n BOT B 1 14.122 29.068 0.000 0.00 1.00 -ATOM 1616 C9o BOT B 1 14.122 29.068 3.350 0.00 1.00 -ATOM 1617 C9p BOT B 1 14.122 29.068 6.700 0.00 1.00 -ATOM 1618 C9q BOT B 1 12.894 1.418 0.000 0.00 1.00 -ATOM 1619 C9r BOT B 1 12.894 1.418 3.350 0.00 1.00 -ATOM 1620 C9s BOT B 1 12.894 1.418 6.700 0.00 1.00 -ATOM 1621 C9t BOT B 1 11.666 3.545 0.000 0.00 1.00 -ATOM 1622 C9u BOT B 1 11.666 3.545 3.350 0.00 1.00 -ATOM 1623 C9v BOT B 1 11.666 3.545 6.700 0.00 1.00 -ATOM 1624 C9w BOT B 1 10.438 5.672 0.000 0.00 1.00 -ATOM 1625 C9x BOT B 1 10.438 5.672 3.350 0.00 1.00 -ATOM 1626 C9y BOT B 1 10.438 5.672 6.700 0.00 1.00 -ATOM 1627 C9z BOT B 1 9.210 7.799 0.000 0.00 1.00 -ATOM 1628 CA0 BOT B 1 9.210 7.799 3.350 0.00 1.00 -ATOM 1629 CA1 BOT B 1 9.210 7.799 6.700 0.00 1.00 -ATOM 1630 CA2 BOT B 1 7.982 9.926 0.000 0.00 1.00 -ATOM 1631 CA3 BOT B 1 7.982 9.926 3.350 0.00 1.00 -ATOM 1632 CA4 BOT B 1 7.982 9.926 6.700 0.00 1.00 -ATOM 1633 CA5 BOT B 1 6.754 12.053 0.000 0.00 1.00 -ATOM 1634 CA6 BOT B 1 6.754 12.053 3.350 0.00 1.00 -ATOM 1635 CA7 BOT B 1 6.754 12.053 6.700 0.00 1.00 -ATOM 1636 CA8 BOT B 1 5.526 14.180 0.000 0.00 1.00 -ATOM 1637 CA9 BOT B 1 5.526 14.180 3.350 0.00 1.00 -ATOM 1638 CAA BOT B 1 5.526 14.180 6.700 0.00 1.00 -ATOM 1639 CAB BOT B 1 23.946 16.306 0.000 0.00 1.00 -ATOM 1640 CAC BOT B 1 23.946 16.306 3.350 0.00 1.00 -ATOM 1641 CAD BOT B 1 23.946 16.306 6.700 0.00 1.00 -ATOM 1642 CAE BOT B 1 22.718 18.433 0.000 0.00 1.00 -ATOM 1643 CAF BOT B 1 22.718 18.433 3.350 0.00 1.00 -ATOM 1644 CAG BOT B 1 22.718 18.433 6.700 0.00 1.00 -ATOM 1645 CAH BOT B 1 21.490 20.560 0.000 0.00 1.00 -ATOM 1646 CAI BOT B 1 21.490 20.560 3.350 0.00 1.00 -ATOM 1647 CAJ BOT B 1 21.490 20.560 6.700 0.00 1.00 -ATOM 1648 CAK BOT B 1 20.262 22.687 0.000 0.00 1.00 -ATOM 1649 CAL BOT B 1 20.262 22.687 3.350 0.00 1.00 -ATOM 1650 CAM BOT B 1 20.262 22.687 6.700 0.00 1.00 -ATOM 1651 CAN BOT B 1 19.034 24.814 0.000 0.00 1.00 -ATOM 1652 CAO BOT B 1 19.034 24.814 3.350 0.00 1.00 -ATOM 1653 CAP BOT B 1 19.034 24.814 6.700 0.00 1.00 -ATOM 1654 CAQ BOT B 1 17.806 26.941 0.000 0.00 1.00 -ATOM 1655 CAR BOT B 1 17.806 26.941 3.350 0.00 1.00 -ATOM 1656 CAS BOT B 1 17.806 26.941 6.700 0.00 1.00 -ATOM 1657 CAT BOT B 1 16.578 29.068 0.000 0.00 1.00 -ATOM 1658 CAU BOT B 1 16.578 29.068 3.350 0.00 1.00 -ATOM 1659 CAV BOT B 1 16.578 29.068 6.700 0.00 1.00 -ATOM 1660 CAW BOT B 1 15.350 1.418 0.000 0.00 1.00 -ATOM 1661 CAX BOT B 1 15.350 1.418 3.350 0.00 1.00 -ATOM 1662 CAY BOT B 1 15.350 1.418 6.700 0.00 1.00 -ATOM 1663 CAZ BOT B 1 14.122 3.545 0.000 0.00 1.00 -ATOM 1664 CAa BOT B 1 14.122 3.545 3.350 0.00 1.00 -ATOM 1665 CAb BOT B 1 14.122 3.545 6.700 0.00 1.00 -ATOM 1666 CAc BOT B 1 12.894 5.672 0.000 0.00 1.00 -ATOM 1667 CAd BOT B 1 12.894 5.672 3.350 0.00 1.00 -ATOM 1668 CAe BOT B 1 12.894 5.672 6.700 0.00 1.00 -ATOM 1669 CAf BOT B 1 11.666 7.799 0.000 0.00 1.00 -ATOM 1670 CAg BOT B 1 11.666 7.799 3.350 0.00 1.00 -ATOM 1671 CAh BOT B 1 11.666 7.799 6.700 0.00 1.00 -ATOM 1672 CAi BOT B 1 10.438 9.926 0.000 0.00 1.00 -ATOM 1673 CAj BOT B 1 10.438 9.926 3.350 0.00 1.00 -ATOM 1674 CAk BOT B 1 10.438 9.926 6.700 0.00 1.00 -ATOM 1675 CAl BOT B 1 9.210 12.053 0.000 0.00 1.00 -ATOM 1676 CAm BOT B 1 9.210 12.053 3.350 0.00 1.00 -ATOM 1677 CAn BOT B 1 9.210 12.053 6.700 0.00 1.00 -ATOM 1678 CAo BOT B 1 7.982 14.180 0.000 0.00 1.00 -ATOM 1679 CAp BOT B 1 7.982 14.180 3.350 0.00 1.00 -ATOM 1680 CAq BOT B 1 7.982 14.180 6.700 0.00 1.00 -ATOM 1681 CAr BOT B 1 26.402 16.306 0.000 0.00 1.00 -ATOM 1682 CAs BOT B 1 26.402 16.306 3.350 0.00 1.00 -ATOM 1683 CAt BOT B 1 26.402 16.306 6.700 0.00 1.00 -ATOM 1684 CAu BOT B 1 25.174 18.433 0.000 0.00 1.00 -ATOM 1685 CAv BOT B 1 25.174 18.433 3.350 0.00 1.00 -ATOM 1686 CAw BOT B 1 25.174 18.433 6.700 0.00 1.00 -ATOM 1687 CAx BOT B 1 23.946 20.560 0.000 0.00 1.00 -ATOM 1688 CAy BOT B 1 23.946 20.560 3.350 0.00 1.00 -ATOM 1689 CAz BOT B 1 23.946 20.560 6.700 0.00 1.00 -ATOM 1690 CB0 BOT B 1 22.718 22.687 0.000 0.00 1.00 -ATOM 1691 CB1 BOT B 1 22.718 22.687 3.350 0.00 1.00 -ATOM 1692 CB2 BOT B 1 22.718 22.687 6.700 0.00 1.00 -ATOM 1693 CB3 BOT B 1 21.490 24.814 0.000 0.00 1.00 -ATOM 1694 CB4 BOT B 1 21.490 24.814 3.350 0.00 1.00 -ATOM 1695 CB5 BOT B 1 21.490 24.814 6.700 0.00 1.00 -ATOM 1696 CB6 BOT B 1 20.262 26.941 0.000 0.00 1.00 -ATOM 1697 CB7 BOT B 1 20.262 26.941 3.350 0.00 1.00 -ATOM 1698 CB8 BOT B 1 20.262 26.941 6.700 0.00 1.00 -ATOM 1699 CB9 BOT B 1 19.034 29.068 0.000 0.00 1.00 -ATOM 1700 CBA BOT B 1 19.034 29.068 3.350 0.00 1.00 -ATOM 1701 CBB BOT B 1 19.034 29.068 6.700 0.00 1.00 -ATOM 1702 CBC BOT B 1 17.806 1.418 0.000 0.00 1.00 -ATOM 1703 CBD BOT B 1 17.806 1.418 3.350 0.00 1.00 -ATOM 1704 CBE BOT B 1 17.806 1.418 6.700 0.00 1.00 -ATOM 1705 CBF BOT B 1 16.578 3.545 0.000 0.00 1.00 -ATOM 1706 CBG BOT B 1 16.578 3.545 3.350 0.00 1.00 -ATOM 1707 CBH BOT B 1 16.578 3.545 6.700 0.00 1.00 -ATOM 1708 CBI BOT B 1 15.350 5.672 0.000 0.00 1.00 -ATOM 1709 CBJ BOT B 1 15.350 5.672 3.350 0.00 1.00 -ATOM 1710 CBK BOT B 1 15.350 5.672 6.700 0.00 1.00 -ATOM 1711 CBL BOT B 1 14.122 7.799 0.000 0.00 1.00 -ATOM 1712 CBM BOT B 1 14.122 7.799 3.350 0.00 1.00 -ATOM 1713 CBN BOT B 1 14.122 7.799 6.700 0.00 1.00 -ATOM 1714 CBO BOT B 1 12.894 9.926 0.000 0.00 1.00 -ATOM 1715 CBP BOT B 1 12.894 9.926 3.350 0.00 1.00 -ATOM 1716 CBQ BOT B 1 12.894 9.926 6.700 0.00 1.00 -ATOM 1717 CBR BOT B 1 11.666 12.053 0.000 0.00 1.00 -ATOM 1718 CBS BOT B 1 11.666 12.053 3.350 0.00 1.00 -ATOM 1719 CBT BOT B 1 11.666 12.053 6.700 0.00 1.00 -ATOM 1720 CBU BOT B 1 10.438 14.180 0.000 0.00 1.00 -ATOM 1721 CBV BOT B 1 10.438 14.180 3.350 0.00 1.00 -ATOM 1722 CBW BOT B 1 10.438 14.180 6.700 0.00 1.00 -ATOM 1723 CBX BOT B 1 28.858 16.306 0.000 0.00 1.00 -ATOM 1724 CBY BOT B 1 28.858 16.306 3.350 0.00 1.00 -ATOM 1725 CBZ BOT B 1 28.858 16.306 6.700 0.00 1.00 -ATOM 1726 CBa BOT B 1 27.630 18.433 0.000 0.00 1.00 -ATOM 1727 CBb BOT B 1 27.630 18.433 3.350 0.00 1.00 -ATOM 1728 CBc BOT B 1 27.630 18.433 6.700 0.00 1.00 -ATOM 1729 CBd BOT B 1 26.402 20.560 0.000 0.00 1.00 -ATOM 1730 CBe BOT B 1 26.402 20.560 3.350 0.00 1.00 -ATOM 1731 CBf BOT B 1 26.402 20.560 6.700 0.00 1.00 -ATOM 1732 CBg BOT B 1 25.174 22.687 0.000 0.00 1.00 -ATOM 1733 CBh BOT B 1 25.174 22.687 3.350 0.00 1.00 -ATOM 1734 CBi BOT B 1 25.174 22.687 6.700 0.00 1.00 -ATOM 1735 CBj BOT B 1 23.946 24.814 0.000 0.00 1.00 -ATOM 1736 CBk BOT B 1 23.946 24.814 3.350 0.00 1.00 -ATOM 1737 CBl BOT B 1 23.946 24.814 6.700 0.00 1.00 -ATOM 1738 CBm BOT B 1 22.718 26.941 0.000 0.00 1.00 -ATOM 1739 CBn BOT B 1 22.718 26.941 3.350 0.00 1.00 -ATOM 1740 CBo BOT B 1 22.718 26.941 6.700 0.00 1.00 -ATOM 1741 CBp BOT B 1 21.490 29.068 0.000 0.00 1.00 -ATOM 1742 CBq BOT B 1 21.490 29.068 3.350 0.00 1.00 -ATOM 1743 CBr BOT B 1 21.490 29.068 6.700 0.00 1.00 -ATOM 1744 CBs BOT B 1 20.262 1.418 0.000 0.00 1.00 -ATOM 1745 CBt BOT B 1 20.262 1.418 3.350 0.00 1.00 -ATOM 1746 CBu BOT B 1 20.262 1.418 6.700 0.00 1.00 -ATOM 1747 CBv BOT B 1 19.034 3.545 0.000 0.00 1.00 -ATOM 1748 CBw BOT B 1 19.034 3.545 3.350 0.00 1.00 -ATOM 1749 CBx BOT B 1 19.034 3.545 6.700 0.00 1.00 -ATOM 1750 CBy BOT B 1 17.806 5.672 0.000 0.00 1.00 -ATOM 1751 CBz BOT B 1 17.806 5.672 3.350 0.00 1.00 -ATOM 1752 CC0 BOT B 1 17.806 5.672 6.700 0.00 1.00 -ATOM 1753 CC1 BOT B 1 16.578 7.799 0.000 0.00 1.00 -ATOM 1754 CC2 BOT B 1 16.578 7.799 3.350 0.00 1.00 -ATOM 1755 CC3 BOT B 1 16.578 7.799 6.700 0.00 1.00 -ATOM 1756 CC4 BOT B 1 15.350 9.926 0.000 0.00 1.00 -ATOM 1757 CC5 BOT B 1 15.350 9.926 3.350 0.00 1.00 -ATOM 1758 CC6 BOT B 1 15.350 9.926 6.700 0.00 1.00 -ATOM 1759 CC7 BOT B 1 14.122 12.053 0.000 0.00 1.00 -ATOM 1760 CC8 BOT B 1 14.122 12.053 3.350 0.00 1.00 -ATOM 1761 CC9 BOT B 1 14.122 12.053 6.700 0.00 1.00 -ATOM 1762 CCA BOT B 1 12.894 14.180 0.000 0.00 1.00 -ATOM 1763 CCB BOT B 1 12.894 14.180 3.350 0.00 1.00 -ATOM 1764 CCC BOT B 1 12.894 14.180 6.700 0.00 1.00 -ATOM 1765 CCD BOT B 1 1.842 16.306 0.000 0.00 1.00 -ATOM 1766 CCE BOT B 1 1.842 16.306 3.350 0.00 1.00 -ATOM 1767 CCF BOT B 1 1.842 16.306 6.700 0.00 1.00 -ATOM 1768 CCG BOT B 1 0.614 18.433 0.000 0.00 1.00 -ATOM 1769 CCH BOT B 1 0.614 18.433 3.350 0.00 1.00 -ATOM 1770 CCI BOT B 1 0.614 18.433 6.700 0.00 1.00 -ATOM 1771 CCJ BOT B 1 28.858 20.560 0.000 0.00 1.00 -ATOM 1772 CCK BOT B 1 28.858 20.560 3.350 0.00 1.00 -ATOM 1773 CCL BOT B 1 28.858 20.560 6.700 0.00 1.00 -ATOM 1774 CCM BOT B 1 27.630 22.687 0.000 0.00 1.00 -ATOM 1775 CCN BOT B 1 27.630 22.687 3.350 0.00 1.00 -ATOM 1776 CCO BOT B 1 27.630 22.687 6.700 0.00 1.00 -ATOM 1777 CCP BOT B 1 26.402 24.814 0.000 0.00 1.00 -ATOM 1778 CCQ BOT B 1 26.402 24.814 3.350 0.00 1.00 -ATOM 1779 CCR BOT B 1 26.402 24.814 6.700 0.00 1.00 -ATOM 1780 CCS BOT B 1 25.174 26.941 0.000 0.00 1.00 -ATOM 1781 CCT BOT B 1 25.174 26.941 3.350 0.00 1.00 -ATOM 1782 CCU BOT B 1 25.174 26.941 6.700 0.00 1.00 -ATOM 1783 CCV BOT B 1 23.946 29.068 0.000 0.00 1.00 -ATOM 1784 CCW BOT B 1 23.946 29.068 3.350 0.00 1.00 -ATOM 1785 CCX BOT B 1 23.946 29.068 6.700 0.00 1.00 -ATOM 1786 CCY BOT B 1 22.718 1.418 0.000 0.00 1.00 -ATOM 1787 CCZ BOT B 1 22.718 1.418 3.350 0.00 1.00 -ATOM 1788 CCa BOT B 1 22.718 1.418 6.700 0.00 1.00 -ATOM 1789 CCb BOT B 1 21.490 3.545 0.000 0.00 1.00 -ATOM 1790 CCc BOT B 1 21.490 3.545 3.350 0.00 1.00 -ATOM 1791 CCd BOT B 1 21.490 3.545 6.700 0.00 1.00 -ATOM 1792 CCe BOT B 1 20.262 5.672 0.000 0.00 1.00 -ATOM 1793 CCf BOT B 1 20.262 5.672 3.350 0.00 1.00 -ATOM 1794 CCg BOT B 1 20.262 5.672 6.700 0.00 1.00 -ATOM 1795 CCh BOT B 1 19.034 7.799 0.000 0.00 1.00 -ATOM 1796 CCi BOT B 1 19.034 7.799 3.350 0.00 1.00 -ATOM 1797 CCj BOT B 1 19.034 7.799 6.700 0.00 1.00 -ATOM 1798 CCk BOT B 1 17.806 9.926 0.000 0.00 1.00 -ATOM 1799 CCl BOT B 1 17.806 9.926 3.350 0.00 1.00 -ATOM 1800 CCm BOT B 1 17.806 9.926 6.700 0.00 1.00 -ATOM 1801 CCn BOT B 1 16.578 12.053 0.000 0.00 1.00 -ATOM 1802 CCo BOT B 1 16.578 12.053 3.350 0.00 1.00 -ATOM 1803 CCp BOT B 1 16.578 12.053 6.700 0.00 1.00 -ATOM 1804 CCq BOT B 1 15.350 14.180 0.000 0.00 1.00 -ATOM 1805 CCr BOT B 1 15.350 14.180 3.350 0.00 1.00 -ATOM 1806 CCs BOT B 1 15.350 14.180 6.700 0.00 1.00 -ATOM 1807 CCt BOT B 1 4.298 16.306 0.000 0.00 1.00 -ATOM 1808 CCu BOT B 1 4.298 16.306 3.350 0.00 1.00 -ATOM 1809 CCv BOT B 1 4.298 16.306 6.700 0.00 1.00 -ATOM 1810 CCw BOT B 1 3.070 18.433 0.000 0.00 1.00 -ATOM 1811 CCx BOT B 1 3.070 18.433 3.350 0.00 1.00 -ATOM 1812 CCy BOT B 1 3.070 18.433 6.700 0.00 1.00 -ATOM 1813 CCz BOT B 1 1.842 20.560 0.000 0.00 1.00 -ATOM 1814 CD0 BOT B 1 1.842 20.560 3.350 0.00 1.00 -ATOM 1815 CD1 BOT B 1 1.842 20.560 6.700 0.00 1.00 -ATOM 1816 CD2 BOT B 1 0.614 22.687 0.000 0.00 1.00 -ATOM 1817 CD3 BOT B 1 0.614 22.687 3.350 0.00 1.00 -ATOM 1818 CD4 BOT B 1 0.614 22.687 6.700 0.00 1.00 -ATOM 1819 CD5 BOT B 1 28.858 24.814 0.000 0.00 1.00 -ATOM 1820 CD6 BOT B 1 28.858 24.814 3.350 0.00 1.00 -ATOM 1821 CD7 BOT B 1 28.858 24.814 6.700 0.00 1.00 -ATOM 1822 CD8 BOT B 1 27.630 26.941 0.000 0.00 1.00 -ATOM 1823 CD9 BOT B 1 27.630 26.941 3.350 0.00 1.00 -ATOM 1824 CDA BOT B 1 27.630 26.941 6.700 0.00 1.00 -ATOM 1825 CDB BOT B 1 26.402 29.068 0.000 0.00 1.00 -ATOM 1826 CDC BOT B 1 26.402 29.068 3.350 0.00 1.00 -ATOM 1827 CDD BOT B 1 26.402 29.068 6.700 0.00 1.00 -ATOM 1828 CDE BOT B 1 25.174 1.418 0.000 0.00 1.00 -ATOM 1829 CDF BOT B 1 25.174 1.418 3.350 0.00 1.00 -ATOM 1830 CDG BOT B 1 25.174 1.418 6.700 0.00 1.00 -ATOM 1831 CDH BOT B 1 23.946 3.545 0.000 0.00 1.00 -ATOM 1832 CDI BOT B 1 23.946 3.545 3.350 0.00 1.00 -ATOM 1833 CDJ BOT B 1 23.946 3.545 6.700 0.00 1.00 -ATOM 1834 CDK BOT B 1 22.718 5.672 0.000 0.00 1.00 -ATOM 1835 CDL BOT B 1 22.718 5.672 3.350 0.00 1.00 -ATOM 1836 CDM BOT B 1 22.718 5.672 6.700 0.00 1.00 -ATOM 1837 CDN BOT B 1 21.490 7.799 0.000 0.00 1.00 -ATOM 1838 CDO BOT B 1 21.490 7.799 3.350 0.00 1.00 -ATOM 1839 CDP BOT B 1 21.490 7.799 6.700 0.00 1.00 -ATOM 1840 CDQ BOT B 1 20.262 9.926 0.000 0.00 1.00 -ATOM 1841 CDR BOT B 1 20.262 9.926 3.350 0.00 1.00 -ATOM 1842 CDS BOT B 1 20.262 9.926 6.700 0.00 1.00 -ATOM 1843 CDT BOT B 1 19.034 12.053 0.000 0.00 1.00 -ATOM 1844 CDU BOT B 1 19.034 12.053 3.350 0.00 1.00 -ATOM 1845 CDV BOT B 1 19.034 12.053 6.700 0.00 1.00 -ATOM 1846 CDW BOT B 1 17.806 14.180 0.000 0.00 1.00 -ATOM 1847 CDX BOT B 1 17.806 14.180 3.350 0.00 1.00 -ATOM 1848 CDY BOT B 1 17.806 14.180 6.700 0.00 1.00 -ATOM 1849 CDZ BOT B 1 6.754 16.306 0.000 0.00 1.00 -ATOM 1850 CDa BOT B 1 6.754 16.306 3.350 0.00 1.00 -ATOM 1851 CDb BOT B 1 6.754 16.306 6.700 0.00 1.00 -ATOM 1852 CDc BOT B 1 5.526 18.433 0.000 0.00 1.00 -ATOM 1853 CDd BOT B 1 5.526 18.433 3.350 0.00 1.00 -ATOM 1854 CDe BOT B 1 5.526 18.433 6.700 0.00 1.00 -ATOM 1855 CDf BOT B 1 4.298 20.560 0.000 0.00 1.00 -ATOM 1856 CDg BOT B 1 4.298 20.560 3.350 0.00 1.00 -ATOM 1857 CDh BOT B 1 4.298 20.560 6.700 0.00 1.00 -ATOM 1858 CDi BOT B 1 3.070 22.687 0.000 0.00 1.00 -ATOM 1859 CDj BOT B 1 3.070 22.687 3.350 0.00 1.00 -ATOM 1860 CDk BOT B 1 3.070 22.687 6.700 0.00 1.00 -ATOM 1861 CDl BOT B 1 1.842 24.814 0.000 0.00 1.00 -ATOM 1862 CDm BOT B 1 1.842 24.814 3.350 0.00 1.00 -ATOM 1863 CDn BOT B 1 1.842 24.814 6.700 0.00 1.00 -ATOM 1864 CDo BOT B 1 0.614 26.941 0.000 0.00 1.00 -ATOM 1865 CDp BOT B 1 0.614 26.941 3.350 0.00 1.00 -ATOM 1866 CDq BOT B 1 0.614 26.941 6.700 0.00 1.00 -ATOM 1867 CDr BOT B 1 28.858 29.068 0.000 0.00 1.00 -ATOM 1868 CDs BOT B 1 28.858 29.068 3.350 0.00 1.00 -ATOM 1869 CDt BOT B 1 28.858 29.068 6.700 0.00 1.00 -ATOM 1870 CDu BOT B 1 27.630 1.418 0.000 0.00 1.00 -ATOM 1871 CDv BOT B 1 27.630 1.418 3.350 0.00 1.00 -ATOM 1872 CDw BOT B 1 27.630 1.418 6.700 0.00 1.00 -ATOM 1873 CDx BOT B 1 26.402 3.545 0.000 0.00 1.00 -ATOM 1874 CDy BOT B 1 26.402 3.545 3.350 0.00 1.00 -ATOM 1875 CDz BOT B 1 26.402 3.545 6.700 0.00 1.00 -ATOM 1876 CE0 BOT B 1 25.174 5.672 0.000 0.00 1.00 -ATOM 1877 CE1 BOT B 1 25.174 5.672 3.350 0.00 1.00 -ATOM 1878 CE2 BOT B 1 25.174 5.672 6.700 0.00 1.00 -ATOM 1879 CE3 BOT B 1 23.946 7.799 0.000 0.00 1.00 -ATOM 1880 CE4 BOT B 1 23.946 7.799 3.350 0.00 1.00 -ATOM 1881 CE5 BOT B 1 23.946 7.799 6.700 0.00 1.00 -ATOM 1882 CE6 BOT B 1 22.718 9.926 0.000 0.00 1.00 -ATOM 1883 CE7 BOT B 1 22.718 9.926 3.350 0.00 1.00 -ATOM 1884 CE8 BOT B 1 22.718 9.926 6.700 0.00 1.00 -ATOM 1885 CE9 BOT B 1 21.490 12.053 0.000 0.00 1.00 -ATOM 1886 CEA BOT B 1 21.490 12.053 3.350 0.00 1.00 -ATOM 1887 CEB BOT B 1 21.490 12.053 6.700 0.00 1.00 -ATOM 1888 CEC BOT B 1 20.262 14.180 0.000 0.00 1.00 -ATOM 1889 CED BOT B 1 20.262 14.180 3.350 0.00 1.00 -ATOM 1890 CEE BOT B 1 20.262 14.180 6.700 0.00 1.00 -ATOM 1891 CEF BOT B 1 9.210 16.306 0.000 0.00 1.00 -ATOM 1892 CEG BOT B 1 9.210 16.306 3.350 0.00 1.00 -ATOM 1893 CEH BOT B 1 9.210 16.306 6.700 0.00 1.00 -ATOM 1894 CEI BOT B 1 7.982 18.433 0.000 0.00 1.00 -ATOM 1895 CEJ BOT B 1 7.982 18.433 3.350 0.00 1.00 -ATOM 1896 CEK BOT B 1 7.982 18.433 6.700 0.00 1.00 -ATOM 1897 CEL BOT B 1 6.754 20.560 0.000 0.00 1.00 -ATOM 1898 CEM BOT B 1 6.754 20.560 3.350 0.00 1.00 -ATOM 1899 CEN BOT B 1 6.754 20.560 6.700 0.00 1.00 -ATOM 1900 CEO BOT B 1 5.526 22.687 0.000 0.00 1.00 -ATOM 1901 CEP BOT B 1 5.526 22.687 3.350 0.00 1.00 -ATOM 1902 CEQ BOT B 1 5.526 22.687 6.700 0.00 1.00 -ATOM 1903 CER BOT B 1 4.298 24.814 0.000 0.00 1.00 -ATOM 1904 CES BOT B 1 4.298 24.814 3.350 0.00 1.00 -ATOM 1905 CET BOT B 1 4.298 24.814 6.700 0.00 1.00 -ATOM 1906 CEU BOT B 1 3.070 26.941 0.000 0.00 1.00 -ATOM 1907 CEV BOT B 1 3.070 26.941 3.350 0.00 1.00 -ATOM 1908 CEW BOT B 1 3.070 26.941 6.700 0.00 1.00 -ATOM 1909 CEX BOT B 1 1.842 29.068 0.000 0.00 1.00 -ATOM 1910 CEY BOT B 1 1.842 29.068 3.350 0.00 1.00 -ATOM 1911 CEZ BOT B 1 1.842 29.068 6.700 0.00 1.00 -ATOM 1912 CEa BOT B 1 0.614 1.418 0.000 0.00 1.00 -ATOM 1913 CEb BOT B 1 0.614 1.418 3.350 0.00 1.00 -ATOM 1914 CEc BOT B 1 0.614 1.418 6.700 0.00 1.00 -ATOM 1915 CEd BOT B 1 28.858 3.545 0.000 0.00 1.00 -ATOM 1916 CEe BOT B 1 28.858 3.545 3.350 0.00 1.00 -ATOM 1917 CEf BOT B 1 28.858 3.545 6.700 0.00 1.00 -ATOM 1918 CEg BOT B 1 27.630 5.672 0.000 0.00 1.00 -ATOM 1919 CEh BOT B 1 27.630 5.672 3.350 0.00 1.00 -ATOM 1920 CEi BOT B 1 27.630 5.672 6.700 0.00 1.00 -ATOM 1921 CEj BOT B 1 26.402 7.799 0.000 0.00 1.00 -ATOM 1922 CEk BOT B 1 26.402 7.799 3.350 0.00 1.00 -ATOM 1923 CEl BOT B 1 26.402 7.799 6.700 0.00 1.00 -ATOM 1924 CEm BOT B 1 25.174 9.926 0.000 0.00 1.00 -ATOM 1925 CEn BOT B 1 25.174 9.926 3.350 0.00 1.00 -ATOM 1926 CEo BOT B 1 25.174 9.926 6.700 0.00 1.00 -ATOM 1927 CEp BOT B 1 23.946 12.053 0.000 0.00 1.00 -ATOM 1928 CEq BOT B 1 23.946 12.053 3.350 0.00 1.00 -ATOM 1929 CEr BOT B 1 23.946 12.053 6.700 0.00 1.00 -ATOM 1930 CEs BOT B 1 22.718 14.180 0.000 0.00 1.00 -ATOM 1931 CEt BOT B 1 22.718 14.180 3.350 0.00 1.00 -ATOM 1932 CEu BOT B 1 22.718 14.180 6.700 0.00 1.00 -ATOM 1933 CEv BOT B 1 11.666 16.306 0.000 0.00 1.00 -ATOM 1934 CEw BOT B 1 11.666 16.306 3.350 0.00 1.00 -ATOM 1935 CEx BOT B 1 11.666 16.306 6.700 0.00 1.00 -ATOM 1936 CEy BOT B 1 10.438 18.433 0.000 0.00 1.00 -ATOM 1937 CEz BOT B 1 10.438 18.433 3.350 0.00 1.00 -ATOM 1938 CF0 BOT B 1 10.438 18.433 6.700 0.00 1.00 -ATOM 1939 CF1 BOT B 1 9.210 20.560 0.000 0.00 1.00 -ATOM 1940 CF2 BOT B 1 9.210 20.560 3.350 0.00 1.00 -ATOM 1941 CF3 BOT B 1 9.210 20.560 6.700 0.00 1.00 -ATOM 1942 CF4 BOT B 1 7.982 22.687 0.000 0.00 1.00 -ATOM 1943 CF5 BOT B 1 7.982 22.687 3.350 0.00 1.00 -ATOM 1944 CF6 BOT B 1 7.982 22.687 6.700 0.00 1.00 -ATOM 1945 CF7 BOT B 1 6.754 24.814 0.000 0.00 1.00 -ATOM 1946 CF8 BOT B 1 6.754 24.814 3.350 0.00 1.00 -ATOM 1947 CF9 BOT B 1 6.754 24.814 6.700 0.00 1.00 -ATOM 1948 CFA BOT B 1 5.526 26.941 0.000 0.00 1.00 -ATOM 1949 CFB BOT B 1 5.526 26.941 3.350 0.00 1.00 -ATOM 1950 CFC BOT B 1 5.526 26.941 6.700 0.00 1.00 -ATOM 1951 CFD BOT B 1 4.298 29.068 0.000 0.00 1.00 -ATOM 1952 CFE BOT B 1 4.298 29.068 3.350 0.00 1.00 -ATOM 1953 CFF BOT B 1 4.298 29.068 6.700 0.00 1.00 -ATOM 1954 CFG BOT B 1 3.070 1.418 0.000 0.00 1.00 -ATOM 1955 CFH BOT B 1 3.070 1.418 3.350 0.00 1.00 -ATOM 1956 CFI BOT B 1 3.070 1.418 6.700 0.00 1.00 -ATOM 1957 CFJ BOT B 1 1.842 3.545 0.000 0.00 1.00 -ATOM 1958 CFK BOT B 1 1.842 3.545 3.350 0.00 1.00 -ATOM 1959 CFL BOT B 1 1.842 3.545 6.700 0.00 1.00 -ATOM 1960 CFM BOT B 1 0.614 5.672 0.000 0.00 1.00 -ATOM 1961 CFN BOT B 1 0.614 5.672 3.350 0.00 1.00 -ATOM 1962 CFO BOT B 1 0.614 5.672 6.700 0.00 1.00 -ATOM 1963 CFP BOT B 1 28.858 7.799 0.000 0.00 1.00 -ATOM 1964 CFQ BOT B 1 28.858 7.799 3.350 0.00 1.00 -ATOM 1965 CFR BOT B 1 28.858 7.799 6.700 0.00 1.00 -ATOM 1966 CFS BOT B 1 27.630 9.926 0.000 0.00 1.00 -ATOM 1967 CFT BOT B 1 27.630 9.926 3.350 0.00 1.00 -ATOM 1968 CFU BOT B 1 27.630 9.926 6.700 0.00 1.00 -ATOM 1969 CFV BOT B 1 26.402 12.053 0.000 0.00 1.00 -ATOM 1970 CFW BOT B 1 26.402 12.053 3.350 0.00 1.00 -ATOM 1971 CFX BOT B 1 26.402 12.053 6.700 0.00 1.00 -ATOM 1972 CFY BOT B 1 25.174 14.180 0.000 0.00 1.00 -ATOM 1973 CFZ BOT B 1 25.174 14.180 3.350 0.00 1.00 -ATOM 1974 CFa BOT B 1 25.174 14.180 6.700 0.00 1.00 -ATOM 1975 CFb BOT B 1 14.122 16.306 0.000 0.00 1.00 -ATOM 1976 CFc BOT B 1 14.122 16.306 3.350 0.00 1.00 -ATOM 1977 CFd BOT B 1 14.122 16.306 6.700 0.00 1.00 -ATOM 1978 CFe BOT B 1 12.894 18.433 0.000 0.00 1.00 -ATOM 1979 CFf BOT B 1 12.894 18.433 3.350 0.00 1.00 -ATOM 1980 CFg BOT B 1 12.894 18.433 6.700 0.00 1.00 -ATOM 1981 CFh BOT B 1 11.666 20.560 0.000 0.00 1.00 -ATOM 1982 CFi BOT B 1 11.666 20.560 3.350 0.00 1.00 -ATOM 1983 CFj BOT B 1 11.666 20.560 6.700 0.00 1.00 -ATOM 1984 CFk BOT B 1 10.438 22.687 0.000 0.00 1.00 -ATOM 1985 CFl BOT B 1 10.438 22.687 3.350 0.00 1.00 -ATOM 1986 CFm BOT B 1 10.438 22.687 6.700 0.00 1.00 -ATOM 1987 CFn BOT B 1 9.210 24.814 0.000 0.00 1.00 -ATOM 1988 CFo BOT B 1 9.210 24.814 3.350 0.00 1.00 -ATOM 1989 CFp BOT B 1 9.210 24.814 6.700 0.00 1.00 -ATOM 1990 CFq BOT B 1 7.982 26.941 0.000 0.00 1.00 -ATOM 1991 CFr BOT B 1 7.982 26.941 3.350 0.00 1.00 -ATOM 1992 CFs BOT B 1 7.982 26.941 6.700 0.00 1.00 -ATOM 1993 CFt BOT B 1 6.754 29.068 0.000 0.00 1.00 -ATOM 1994 CFu BOT B 1 6.754 29.068 3.350 0.00 1.00 -ATOM 1995 CFv BOT B 1 6.754 29.068 6.700 0.00 1.00 -ATOM 1996 CFw BOT B 1 5.526 1.418 0.000 0.00 1.00 -ATOM 1997 CFx BOT B 1 5.526 1.418 3.350 0.00 1.00 -ATOM 1998 CFy BOT B 1 5.526 1.418 6.700 0.00 1.00 -ATOM 1999 CFz BOT B 1 4.298 3.545 0.000 0.00 1.00 -ATOM 2000 CG0 BOT B 1 4.298 3.545 3.350 0.00 1.00 -ATOM 2001 CG1 BOT B 1 4.298 3.545 6.700 0.00 1.00 -ATOM 2002 CG2 BOT B 1 3.070 5.672 0.000 0.00 1.00 -ATOM 2003 CG3 BOT B 1 3.070 5.672 3.350 0.00 1.00 -ATOM 2004 CG4 BOT B 1 3.070 5.672 6.700 0.00 1.00 -ATOM 2005 CG5 BOT B 1 1.842 7.799 0.000 0.00 1.00 -ATOM 2006 CG6 BOT B 1 1.842 7.799 3.350 0.00 1.00 -ATOM 2007 CG7 BOT B 1 1.842 7.799 6.700 0.00 1.00 -ATOM 2008 CG8 BOT B 1 0.614 9.926 0.000 0.00 1.00 -ATOM 2009 CG9 BOT B 1 0.614 9.926 3.350 0.00 1.00 -ATOM 2010 CGA BOT B 1 0.614 9.926 6.700 0.00 1.00 -ATOM 2011 CGB BOT B 1 28.858 12.053 0.000 0.00 1.00 -ATOM 2012 CGC BOT B 1 28.858 12.053 3.350 0.00 1.00 -ATOM 2013 CGD BOT B 1 28.858 12.053 6.700 0.00 1.00 -ATOM 2014 CGE BOT B 1 27.630 14.180 0.000 0.00 1.00 -ATOM 2015 CGF BOT B 1 27.630 14.180 3.350 0.00 1.00 -ATOM 2016 CGG BOT B 1 27.630 14.180 6.700 0.00 1.00 -ATOM 2017 O1 H2O C 1 13.438 26.200 29.730 0.00 0.00 -ATOM 2018 H1 H2O C 1 13.118 26.982 30.266 0.00 0.00 -ATOM 2019 H2 H2O C 1 13.149 26.307 28.779 0.00 0.00 -ATOM 2020 O1 H2O C 2 22.744 18.315 27.452 0.00 0.00 -ATOM 2021 H1 H2O C 2 22.776 17.336 27.251 0.00 0.00 -ATOM 2022 H2 H2O C 2 23.493 18.553 28.070 0.00 0.00 -ATOM 2023 O1 H2O C 3 19.598 6.335 29.429 0.00 0.00 -ATOM 2024 H1 H2O C 3 19.776 5.802 30.256 0.00 0.00 -ATOM 2025 H2 H2O C 3 19.918 5.827 28.630 0.00 0.00 -ATOM 2026 O1 H2O C 4 15.278 13.502 20.822 0.00 0.00 -ATOM 2027 H1 H2O C 4 14.685 12.798 21.211 0.00 0.00 -ATOM 2028 H2 H2O C 4 14.718 14.226 20.419 0.00 0.00 -ATOM 2029 O1 H2O C 5 16.375 14.358 23.658 0.00 0.00 -ATOM 2030 H1 H2O C 5 15.994 13.952 22.827 0.00 0.00 -ATOM 2031 H2 H2O C 5 16.326 13.696 24.405 0.00 0.00 -ATOM 2032 O1 H2O C 6 11.369 29.021 23.627 0.00 0.00 -ATOM 2033 H1 H2O C 6 10.999 29.858 23.224 0.00 0.00 -ATOM 2034 H2 H2O C 6 12.315 28.898 23.329 0.00 0.00 -ATOM 2035 O1 H2O C 7 12.938 20.823 29.249 0.00 0.00 -ATOM 2036 H1 H2O C 7 13.138 21.789 29.409 0.00 0.00 -ATOM 2037 H2 H2O C 7 11.954 20.705 29.111 0.00 0.00 -ATOM 2038 O1 H2O C 8 6.301 14.316 29.431 0.00 0.00 -ATOM 2039 H1 H2O C 8 5.326 14.210 29.630 0.00 0.00 -ATOM 2040 H2 H2O C 8 6.413 14.718 28.523 0.00 0.00 -ATOM 2041 O1 H2O C 9 1.969 18.600 29.074 0.00 0.00 -ATOM 2042 H1 H2O C 9 1.190 18.982 29.572 0.00 0.00 -ATOM 2043 H2 H2O C 9 1.766 18.589 28.095 0.00 0.00 -ATOM 2044 O1 H2O C 10 22.309 21.039 19.904 0.00 0.00 -ATOM 2045 H1 H2O C 10 22.715 20.752 20.772 0.00 0.00 -ATOM 2046 H2 H2O C 10 21.679 20.333 19.581 0.00 0.00 -ATOM 2047 O1 H2O C 11 22.643 29.842 26.636 0.00 0.00 -ATOM 2048 H1 H2O C 11 22.914 29.277 27.415 0.00 0.00 -ATOM 2049 H2 H2O C 11 23.165 29.568 25.828 0.00 0.00 -ATOM 2050 O1 H2O C 12 29.123 24.157 25.038 0.00 0.00 -ATOM 2051 H1 H2O C 12 28.376 24.380 25.664 0.00 0.00 -ATOM 2052 H2 H2O C 12 29.040 24.710 24.209 0.00 0.00 -ATOM 2053 O1 H2O C 13 22.879 6.270 26.640 0.00 0.00 -ATOM 2054 H1 H2O C 13 23.445 5.454 26.519 0.00 0.00 -ATOM 2055 H2 H2O C 13 21.935 5.996 26.824 0.00 0.00 -ATOM 2056 O1 H2O C 14 2.134 0.300 24.173 0.00 0.00 -ATOM 2057 H1 H2O C 14 1.592 -0.483 23.869 0.00 0.00 -ATOM 2058 H2 H2O C 14 1.889 0.530 25.114 0.00 0.00 -ATOM 2059 O1 H2O C 15 19.465 13.007 24.781 0.00 0.00 -ATOM 2060 H1 H2O C 15 19.116 13.756 24.218 0.00 0.00 -ATOM 2061 H2 H2O C 15 19.337 12.141 24.300 0.00 0.00 -ATOM 2062 O1 H2O C 16 19.334 25.882 29.259 0.00 0.00 -ATOM 2063 H1 H2O C 16 18.465 26.245 29.594 0.00 0.00 -ATOM 2064 H2 H2O C 16 19.852 26.613 28.815 0.00 0.00 -ATOM 2065 O1 H2O C 17 27.170 14.757 25.763 0.00 0.00 -ATOM 2066 H1 H2O C 17 26.849 14.287 24.941 0.00 0.00 -ATOM 2067 H2 H2O C 17 26.547 15.507 25.983 0.00 0.00 -ATOM 2068 O1 H2O C 18 10.431 16.191 27.118 0.00 0.00 -ATOM 2069 H1 H2O C 18 10.494 16.239 28.115 0.00 0.00 -ATOM 2070 H2 H2O C 18 9.469 16.162 26.846 0.00 0.00 -ATOM 2071 O1 H2O C 19 22.898 14.221 20.804 0.00 0.00 -ATOM 2072 H1 H2O C 19 22.064 14.712 20.549 0.00 0.00 -ATOM 2073 H2 H2O C 19 23.683 14.836 20.728 0.00 0.00 -ATOM 2074 O1 H2O C 20 1.602 24.463 26.603 0.00 0.00 -ATOM 2075 H1 H2O C 20 0.830 24.200 26.025 0.00 0.00 -ATOM 2076 H2 H2O C 20 1.425 24.178 27.545 0.00 0.00 -ATOM 2077 O1 H2O C 21 14.440 22.623 21.791 0.00 0.00 -ATOM 2078 H1 H2O C 21 13.665 23.124 22.178 0.00 0.00 -ATOM 2079 H2 H2O C 21 14.577 22.904 20.841 0.00 0.00 -ATOM 2080 O1 H2O C 22 0.391 4.562 26.549 0.00 0.00 -ATOM 2081 H1 H2O C 22 0.150 4.312 27.487 0.00 0.00 -ATOM 2082 H2 H2O C 22 -0.318 4.235 25.924 0.00 0.00 -ATOM 2083 O1 H2O C 23 26.730 7.947 23.506 0.00 0.00 -ATOM 2084 H1 H2O C 23 27.729 7.934 23.449 0.00 0.00 -ATOM 2085 H2 H2O C 23 26.423 7.227 24.129 0.00 0.00 -ATOM 2086 O1 H2O C 24 17.793 2.882 26.014 0.00 0.00 -ATOM 2087 H1 H2O C 24 16.859 3.211 25.873 0.00 0.00 -ATOM 2088 H2 H2O C 24 17.816 1.889 25.903 0.00 0.00 -ATOM 2089 O1 H2O C 25 14.355 9.447 29.565 0.00 0.00 -ATOM 2090 H1 H2O C 25 14.874 10.302 29.556 0.00 0.00 -ATOM 2091 H2 H2O C 25 14.577 8.932 30.392 0.00 0.00 -ATOM 2092 O1 H2O C 26 5.143 27.836 29.035 0.00 0.00 -ATOM 2093 H1 H2O C 26 4.953 26.854 29.045 0.00 0.00 -ATOM 2094 H2 H2O C 26 4.495 28.295 28.427 0.00 0.00 -ATOM 2095 O1 H2O C 27 21.471 24.198 29.521 0.00 0.00 -ATOM 2096 H1 H2O C 27 21.222 23.417 28.948 0.00 0.00 -ATOM 2097 H2 H2O C 27 20.656 24.748 29.706 0.00 0.00 -ATOM 2098 O1 H2O C 28 5.293 20.387 26.091 0.00 0.00 -ATOM 2099 H1 H2O C 28 6.239 20.691 26.202 0.00 0.00 -ATOM 2100 H2 H2O C 28 4.716 21.171 25.861 0.00 0.00 -ATOM 2101 O1 H2O C 29 20.971 5.147 22.940 0.00 0.00 -ATOM 2102 H1 H2O C 29 21.950 5.207 22.743 0.00 0.00 -ATOM 2103 H2 H2O C 29 20.798 4.361 23.532 0.00 0.00 -ATOM 2104 O1 H2O C 30 25.185 16.917 23.277 0.00 0.00 -ATOM 2105 H1 H2O C 30 25.415 17.076 24.237 0.00 0.00 -ATOM 2106 H2 H2O C 30 24.299 17.333 23.073 0.00 0.00 -ATOM 2107 O1 H2O C 31 17.966 13.672 29.634 0.00 0.00 -ATOM 2108 H1 H2O C 31 18.244 14.620 29.792 0.00 0.00 -ATOM 2109 H2 H2O C 31 18.765 13.075 29.702 0.00 0.00 -ATOM 2110 O1 H2O C 32 11.481 7.185 20.085 0.00 0.00 -ATOM 2111 H1 H2O C 32 10.620 7.669 19.933 0.00 0.00 -ATOM 2112 H2 H2O C 32 11.975 7.612 20.842 0.00 0.00 -ATOM 2113 O1 H2O C 33 10.504 27.202 29.373 0.00 0.00 -ATOM 2114 H1 H2O C 33 9.527 27.008 29.458 0.00 0.00 -ATOM 2115 H2 H2O C 33 10.805 26.996 28.442 0.00 0.00 -ATOM 2116 O1 H2O C 34 4.077 9.942 26.238 0.00 0.00 -ATOM 2117 H1 H2O C 34 4.526 9.116 25.898 0.00 0.00 -ATOM 2118 H2 H2O C 34 4.768 10.622 26.481 0.00 0.00 -ATOM 2119 O1 H2O C 35 9.253 20.190 20.046 0.00 0.00 -ATOM 2120 H1 H2O C 35 10.150 20.513 20.348 0.00 0.00 -ATOM 2121 H2 H2O C 35 8.637 20.970 19.938 0.00 0.00 -ATOM 2122 O1 H2O C 36 7.291 4.283 24.961 0.00 0.00 -ATOM 2123 H1 H2O C 36 7.421 5.275 24.964 0.00 0.00 -ATOM 2124 H2 H2O C 36 8.167 3.831 25.130 0.00 0.00 -ATOM 2125 O1 H2O C 37 0.876 17.785 19.924 0.00 0.00 -ATOM 2126 H1 H2O C 37 1.548 17.049 20.013 0.00 0.00 -ATOM 2127 H2 H2O C 37 0.588 18.084 20.834 0.00 0.00 -ATOM 2128 O1 H2O C 38 16.713 10.857 19.735 0.00 0.00 -ATOM 2129 H1 H2O C 38 16.234 11.637 20.139 0.00 0.00 -ATOM 2130 H2 H2O C 38 17.636 11.134 19.471 0.00 0.00 -ATOM 2131 O1 H2O C 39 26.021 23.697 22.373 0.00 0.00 -ATOM 2132 H1 H2O C 39 26.096 22.878 22.942 0.00 0.00 -ATOM 2133 H2 H2O C 39 26.115 23.444 21.410 0.00 0.00 -ATOM 2134 O1 H2O C 40 5.665 18.763 28.170 0.00 0.00 -ATOM 2135 H1 H2O C 40 6.400 19.185 28.701 0.00 0.00 -ATOM 2136 H2 H2O C 40 5.366 19.395 27.455 0.00 0.00 -ATOM 2137 O1 H2O C 41 14.779 5.308 19.871 0.00 0.00 -ATOM 2138 H1 H2O C 41 15.588 5.687 19.423 0.00 0.00 -ATOM 2139 H2 H2O C 41 14.024 5.960 19.803 0.00 0.00 -ATOM 2140 O1 H2O C 42 2.308 8.103 29.264 0.00 0.00 -ATOM 2141 H1 H2O C 42 1.832 8.104 28.384 0.00 0.00 -ATOM 2142 H2 H2O C 42 3.015 7.397 29.260 0.00 0.00 -ATOM 2143 O1 H2O C 43 28.545 25.242 29.249 0.00 0.00 -ATOM 2144 H1 H2O C 43 28.723 26.013 28.638 0.00 0.00 -ATOM 2145 H2 H2O C 43 29.387 24.995 29.729 0.00 0.00 -ATOM 2146 O1 H2O C 44 9.825 1.416 27.003 0.00 0.00 -ATOM 2147 H1 H2O C 44 9.590 1.024 27.892 0.00 0.00 -ATOM 2148 H2 H2O C 44 9.548 2.376 26.978 0.00 0.00 -ATOM 2149 O1 H2O C 45 1.600 4.294 20.835 0.00 0.00 -ATOM 2150 H1 H2O C 45 2.373 4.821 20.481 0.00 0.00 -ATOM 2151 H2 H2O C 45 1.420 3.518 20.231 0.00 0.00 -ATOM 2152 O1 H2O C 46 6.969 25.244 20.335 0.00 0.00 -ATOM 2153 H1 H2O C 46 6.980 25.895 21.095 0.00 0.00 -ATOM 2154 H2 H2O C 46 6.063 25.240 19.913 0.00 0.00 -ATOM 2155 O1 H2O C 47 29.593 0.483 26.441 0.00 0.00 -ATOM 2156 H1 H2O C 47 28.597 0.396 26.468 0.00 0.00 -ATOM 2157 H2 H2O C 47 29.969 0.286 27.346 0.00 0.00 -ATOM 2158 O1 H2O C 48 6.734 13.638 20.532 0.00 0.00 -ATOM 2159 H1 H2O C 48 7.605 13.851 20.090 0.00 0.00 -ATOM 2160 H2 H2O C 48 6.781 13.887 21.499 0.00 0.00 -ATOM 2161 O1 H2O C 49 17.236 5.937 26.519 0.00 0.00 -ATOM 2162 H1 H2O C 49 16.329 5.924 26.099 0.00 0.00 -ATOM 2163 H2 H2O C 49 17.663 6.827 26.363 0.00 0.00 -ATOM 2164 O1 H2O C 50 8.727 20.528 22.959 0.00 0.00 -ATOM 2165 H1 H2O C 50 9.317 21.115 23.514 0.00 0.00 -ATOM 2166 H2 H2O C 50 9.223 20.234 22.142 0.00 0.00 -ATOM 2167 O1 H2O C 51 13.315 26.891 22.604 0.00 0.00 -ATOM 2168 H1 H2O C 51 13.070 25.953 22.850 0.00 0.00 -ATOM 2169 H2 H2O C 51 12.551 27.320 22.122 0.00 0.00 -ATOM 2170 O1 H2O C 52 22.513 28.619 23.888 0.00 0.00 -ATOM 2171 H1 H2O C 52 23.376 28.623 23.383 0.00 0.00 -ATOM 2172 H2 H2O C 52 21.845 28.055 23.402 0.00 0.00 -ATOM 2173 O1 H2O C 53 20.297 19.959 22.916 0.00 0.00 -ATOM 2174 H1 H2O C 53 19.796 19.116 23.110 0.00 0.00 -ATOM 2175 H2 H2O C 53 19.677 20.740 22.994 0.00 0.00 -ATOM 2176 O1 H2O C 54 20.296 5.046 27.141 0.00 0.00 -ATOM 2177 H1 H2O C 54 19.394 5.124 26.715 0.00 0.00 -ATOM 2178 H2 H2O C 54 20.523 4.081 27.268 0.00 0.00 -ATOM 2179 O1 H2O C 55 16.323 16.556 19.840 0.00 0.00 -ATOM 2180 H1 H2O C 55 15.360 16.307 19.734 0.00 0.00 -ATOM 2181 H2 H2O C 55 16.898 15.773 19.606 0.00 0.00 -ATOM 2182 O1 H2O C 56 15.245 8.555 20.452 0.00 0.00 -ATOM 2183 H1 H2O C 56 15.728 7.694 20.612 0.00 0.00 -ATOM 2184 H2 H2O C 56 15.894 9.249 20.140 0.00 0.00 -ATOM 2185 O1 H2O C 57 29.825 21.559 25.548 0.00 0.00 -ATOM 2186 H1 H2O C 57 29.544 22.413 25.109 0.00 0.00 -ATOM 2187 H2 H2O C 57 29.014 21.017 25.772 0.00 0.00 -ATOM 2188 O1 H2O C 58 2.388 18.250 24.151 0.00 0.00 -ATOM 2189 H1 H2O C 58 2.803 19.113 23.863 0.00 0.00 -ATOM 2190 H2 H2O C 58 2.957 17.825 24.855 0.00 0.00 -ATOM 2191 O1 H2O C 59 23.576 24.546 24.701 0.00 0.00 -ATOM 2192 H1 H2O C 59 22.953 23.917 24.235 0.00 0.00 -ATOM 2193 H2 H2O C 59 23.103 24.973 25.472 0.00 0.00 -ATOM 2194 O1 H2O C 60 6.530 24.359 29.179 0.00 0.00 -ATOM 2195 H1 H2O C 60 7.180 25.080 29.419 0.00 0.00 -ATOM 2196 H2 H2O C 60 5.597 24.700 29.289 0.00 0.00 -ATOM 2197 O1 H2O C 61 7.852 8.281 27.022 0.00 0.00 -ATOM 2198 H1 H2O C 61 8.240 9.056 26.523 0.00 0.00 -ATOM 2199 H2 H2O C 61 8.284 8.213 27.921 0.00 0.00 -ATOM 2200 O1 H2O C 62 5.783 8.628 20.690 0.00 0.00 -ATOM 2201 H1 H2O C 62 5.638 9.610 20.569 0.00 0.00 -ATOM 2202 H2 H2O C 62 6.008 8.440 21.646 0.00 0.00 -ATOM 2203 O1 H2O C 63 26.312 1.371 23.969 0.00 0.00 -ATOM 2204 H1 H2O C 63 27.119 1.075 23.458 0.00 0.00 -ATOM 2205 H2 H2O C 63 25.717 0.585 24.139 0.00 0.00 -ATOM 2206 O1 H2O C 64 23.249 21.006 26.382 0.00 0.00 -ATOM 2207 H1 H2O C 64 22.881 20.277 26.960 0.00 0.00 -ATOM 2208 H2 H2O C 64 23.615 21.736 26.959 0.00 0.00 -ATOM 2209 O1 H2O C 65 13.952 0.119 22.044 0.00 0.00 -ATOM 2210 H1 H2O C 65 14.806 -0.166 21.608 0.00 0.00 -ATOM 2211 H2 H2O C 65 13.406 0.648 21.394 0.00 0.00 -ATOM 2212 O1 H2O C 66 2.730 16.254 20.929 0.00 0.00 -ATOM 2213 H1 H2O C 66 2.588 15.810 21.813 0.00 0.00 -ATOM 2214 H2 H2O C 66 3.173 15.614 20.301 0.00 0.00 -ATOM 2215 O1 H2O C 67 2.884 8.073 24.377 0.00 0.00 -ATOM 2216 H1 H2O C 67 2.686 9.023 24.135 0.00 0.00 -ATOM 2217 H2 H2O C 67 2.208 7.750 25.040 0.00 0.00 -ATOM 2218 O1 H2O C 68 2.163 24.554 23.257 0.00 0.00 -ATOM 2219 H1 H2O C 68 2.482 24.866 24.151 0.00 0.00 -ATOM 2220 H2 H2O C 68 2.930 24.163 22.748 0.00 0.00 -ATOM 2221 O1 H2O C 69 -0.155 5.236 22.664 0.00 0.00 -ATOM 2222 H1 H2O C 69 -0.233 6.225 22.796 0.00 0.00 -ATOM 2223 H2 H2O C 69 0.684 5.033 22.159 0.00 0.00 -ATOM 2224 O1 H2O C 70 21.661 25.250 20.553 0.00 0.00 -ATOM 2225 H1 H2O C 70 21.577 26.205 20.271 0.00 0.00 -ATOM 2226 H2 H2O C 70 21.242 25.129 21.452 0.00 0.00 -ATOM 2227 O1 H2O C 71 28.157 29.224 29.275 0.00 0.00 -ATOM 2228 H1 H2O C 71 27.681 29.782 28.595 0.00 0.00 -ATOM 2229 H2 H2O C 71 28.918 29.745 29.661 0.00 0.00 -ATOM 2230 O1 H2O C 72 1.185 7.466 26.372 0.00 0.00 -ATOM 2231 H1 H2O C 72 0.254 7.620 26.705 0.00 0.00 -ATOM 2232 H2 H2O C 72 1.363 6.483 26.322 0.00 0.00 -ATOM 2233 O1 H2O C 73 3.213 0.573 19.831 0.00 0.00 -ATOM 2234 H1 H2O C 73 2.688 -0.272 19.933 0.00 0.00 -ATOM 2235 H2 H2O C 73 4.128 0.444 20.213 0.00 0.00 -ATOM 2236 O1 H2O C 74 18.180 18.576 20.174 0.00 0.00 -ATOM 2237 H1 H2O C 74 17.885 19.522 20.044 0.00 0.00 -ATOM 2238 H2 H2O C 74 17.388 17.968 20.110 0.00 0.00 -ATOM 2239 O1 H2O C 75 12.722 27.217 27.389 0.00 0.00 -ATOM 2240 H1 H2O C 75 13.535 27.670 27.023 0.00 0.00 -ATOM 2241 H2 H2O C 75 11.910 27.755 27.162 0.00 0.00 -ATOM 2242 O1 H2O C 76 25.150 19.305 25.333 0.00 0.00 -ATOM 2243 H1 H2O C 76 24.506 19.879 25.840 0.00 0.00 -ATOM 2244 H2 H2O C 76 25.211 18.408 25.770 0.00 0.00 -ATOM 2245 O1 H2O C 77 3.671 21.031 28.649 0.00 0.00 -ATOM 2246 H1 H2O C 77 3.683 21.163 27.658 0.00 0.00 -ATOM 2247 H2 H2O C 77 3.135 20.216 28.870 0.00 0.00 -ATOM 2248 O1 H2O C 78 26.698 5.982 25.804 0.00 0.00 -ATOM 2249 H1 H2O C 78 27.114 5.208 25.328 0.00 0.00 -ATOM 2250 H2 H2O C 78 25.711 5.835 25.881 0.00 0.00 -ATOM 2251 O1 H2O C 79 -0.040 27.288 27.800 0.00 0.00 -ATOM 2252 H1 H2O C 79 0.908 27.542 27.606 0.00 0.00 -ATOM 2253 H2 H2O C 79 -0.499 28.044 28.268 0.00 0.00 -ATOM 2254 O1 H2O C 80 6.393 20.065 21.059 0.00 0.00 -ATOM 2255 H1 H2O C 80 6.070 19.146 20.834 0.00 0.00 -ATOM 2256 H2 H2O C 80 6.986 20.023 21.863 0.00 0.00 -ATOM 2257 O1 H2O C 81 24.454 4.301 25.969 0.00 0.00 -ATOM 2258 H1 H2O C 81 23.599 3.786 26.039 0.00 0.00 -ATOM 2259 H2 H2O C 81 25.202 3.757 26.349 0.00 0.00 -ATOM 2260 O1 H2O C 82 17.555 1.096 19.828 0.00 0.00 -ATOM 2261 H1 H2O C 82 16.821 1.773 19.774 0.00 0.00 -ATOM 2262 H2 H2O C 82 18.439 1.553 19.722 0.00 0.00 -ATOM 2263 O1 H2O C 83 25.940 21.426 23.995 0.00 0.00 -ATOM 2264 H1 H2O C 83 26.076 22.125 24.697 0.00 0.00 -ATOM 2265 H2 H2O C 83 25.708 20.556 24.431 0.00 0.00 -ATOM 2266 O1 H2O C 84 12.279 24.116 22.723 0.00 0.00 -ATOM 2267 H1 H2O C 84 11.382 23.949 22.312 0.00 0.00 -ATOM 2268 H2 H2O C 84 12.168 24.303 23.699 0.00 0.00 -ATOM 2269 O1 H2O C 85 11.018 17.575 24.882 0.00 0.00 -ATOM 2270 H1 H2O C 85 10.318 17.451 24.179 0.00 0.00 -ATOM 2271 H2 H2O C 85 10.786 17.025 25.684 0.00 0.00 -ATOM 2272 O1 H2O C 86 5.535 17.430 21.369 0.00 0.00 -ATOM 2273 H1 H2O C 86 5.534 17.093 22.310 0.00 0.00 -ATOM 2274 H2 H2O C 86 4.638 17.272 20.957 0.00 0.00 -ATOM 2275 O1 H2O C 87 11.951 1.984 25.131 0.00 0.00 -ATOM 2276 H1 H2O C 87 11.296 1.486 25.700 0.00 0.00 -ATOM 2277 H2 H2O C 87 11.867 1.677 24.182 0.00 0.00 -ATOM 2278 O1 H2O C 88 21.699 11.801 23.291 0.00 0.00 -ATOM 2279 H1 H2O C 88 22.218 11.809 22.436 0.00 0.00 -ATOM 2280 H2 H2O C 88 20.821 12.260 23.151 0.00 0.00 -ATOM 2281 O1 H2O C 89 21.995 27.918 19.853 0.00 0.00 -ATOM 2282 H1 H2O C 89 22.830 27.704 19.347 0.00 0.00 -ATOM 2283 H2 H2O C 89 22.110 28.786 20.336 0.00 0.00 -ATOM 2284 O1 H2O C 90 29.116 16.708 29.216 0.00 0.00 -ATOM 2285 H1 H2O C 90 29.633 17.112 28.461 0.00 0.00 -ATOM 2286 H2 H2O C 90 29.480 15.799 29.420 0.00 0.00 -ATOM 2287 O1 H2O C 91 13.982 19.412 20.487 0.00 0.00 -ATOM 2288 H1 H2O C 91 14.664 19.204 19.785 0.00 0.00 -ATOM 2289 H2 H2O C 91 14.004 18.705 21.194 0.00 0.00 -ATOM 2290 O1 H2O C 92 12.091 13.124 20.548 0.00 0.00 -ATOM 2291 H1 H2O C 92 12.143 13.446 21.494 0.00 0.00 -ATOM 2292 H2 H2O C 92 11.635 12.234 20.523 0.00 0.00 -ATOM 2293 O1 H2O C 93 27.825 20.013 26.357 0.00 0.00 -ATOM 2294 H1 H2O C 93 26.956 19.744 25.942 0.00 0.00 -ATOM 2295 H2 H2O C 93 27.691 20.178 27.334 0.00 0.00 -ATOM 2296 O1 H2O C 94 19.569 8.646 19.633 0.00 0.00 -ATOM 2297 H1 H2O C 94 19.852 7.989 18.934 0.00 0.00 -ATOM 2298 H2 H2O C 94 18.627 8.454 19.908 0.00 0.00 -ATOM 2299 O1 H2O C 95 25.311 4.645 20.236 0.00 0.00 -ATOM 2300 H1 H2O C 95 26.300 4.602 20.100 0.00 0.00 -ATOM 2301 H2 H2O C 95 24.903 3.763 20.003 0.00 0.00 -ATOM 2302 O1 H2O C 96 25.066 15.628 20.041 0.00 0.00 -ATOM 2303 H1 H2O C 96 25.794 16.233 20.364 0.00 0.00 -ATOM 2304 H2 H2O C 96 24.567 16.075 19.299 0.00 0.00 -ATOM 2305 O1 H2O C 97 6.627 0.592 29.492 0.00 0.00 -ATOM 2306 H1 H2O C 97 6.036 -0.059 29.968 0.00 0.00 -ATOM 2307 H2 H2O C 97 6.435 1.518 29.818 0.00 0.00 -ATOM 2308 O1 H2O C 98 6.887 22.607 23.746 0.00 0.00 -ATOM 2309 H1 H2O C 98 7.175 22.643 24.703 0.00 0.00 -ATOM 2310 H2 H2O C 98 7.475 21.971 23.246 0.00 0.00 -ATOM 2311 O1 H2O C 99 17.675 25.637 20.658 0.00 0.00 -ATOM 2312 H1 H2O C 99 17.131 25.904 21.454 0.00 0.00 -ATOM 2313 H2 H2O C 99 18.193 26.427 20.329 0.00 0.00 -ATOM 2314 O1 H2O C 100 25.872 23.624 25.635 0.00 0.00 -ATOM 2315 H1 H2O C 100 24.991 23.969 25.310 0.00 0.00 -ATOM 2316 H2 H2O C 100 26.531 24.375 25.672 0.00 0.00 -ATOM 2317 O1 H2O C 101 27.837 7.460 20.188 0.00 0.00 -ATOM 2318 H1 H2O C 101 28.163 6.591 19.817 0.00 0.00 -ATOM 2319 H2 H2O C 101 26.909 7.345 20.541 0.00 0.00 -ATOM 2320 O1 H2O C 102 4.519 24.612 19.705 0.00 0.00 -ATOM 2321 H1 H2O C 102 4.708 23.631 19.735 0.00 0.00 -ATOM 2322 H2 H2O C 102 3.595 24.784 20.046 0.00 0.00 -ATOM 2323 O1 H2O C 103 10.363 13.164 29.053 0.00 0.00 -ATOM 2324 H1 H2O C 103 9.913 13.990 29.393 0.00 0.00 -ATOM 2325 H2 H2O C 103 11.335 13.194 29.288 0.00 0.00 -ATOM 2326 O1 H2O C 104 11.699 3.212 28.886 0.00 0.00 -ATOM 2327 H1 H2O C 104 10.999 3.845 28.554 0.00 0.00 -ATOM 2328 H2 H2O C 104 11.688 3.197 29.886 0.00 0.00 -ATOM 2329 O1 H2O C 105 19.188 27.046 25.330 0.00 0.00 -ATOM 2330 H1 H2O C 105 19.119 26.049 25.357 0.00 0.00 -ATOM 2331 H2 H2O C 105 19.336 27.344 24.387 0.00 0.00 -ATOM 2332 O1 H2O C 106 9.215 15.514 29.691 0.00 0.00 -ATOM 2333 H1 H2O C 106 8.257 15.425 29.964 0.00 0.00 -ATOM 2334 H2 H2O C 106 9.509 16.462 29.812 0.00 0.00 -ATOM 2335 O1 H2O C 107 8.237 0.136 24.887 0.00 0.00 -ATOM 2336 H1 H2O C 107 7.269 0.254 25.109 0.00 0.00 -ATOM 2337 H2 H2O C 107 8.784 0.234 25.719 0.00 0.00 -ATOM 2338 O1 H2O C 108 24.785 9.492 29.439 0.00 0.00 -ATOM 2339 H1 H2O C 108 25.628 9.829 29.020 0.00 0.00 -ATOM 2340 H2 H2O C 108 25.005 8.767 30.092 0.00 0.00 -ATOM 2341 O1 H2O C 109 8.832 27.850 23.187 0.00 0.00 -ATOM 2342 H1 H2O C 109 8.466 28.491 23.862 0.00 0.00 -ATOM 2343 H2 H2O C 109 9.799 28.051 23.027 0.00 0.00 -ATOM 2344 O1 H2O C 110 10.770 23.145 28.690 0.00 0.00 -ATOM 2345 H1 H2O C 110 11.676 23.534 28.856 0.00 0.00 -ATOM 2346 H2 H2O C 110 10.362 22.868 29.560 0.00 0.00 -ATOM 2347 O1 H2O C 111 5.961 2.652 23.122 0.00 0.00 -ATOM 2348 H1 H2O C 111 6.408 3.293 23.747 0.00 0.00 -ATOM 2349 H2 H2O C 111 4.970 2.774 23.174 0.00 0.00 -ATOM 2350 O1 H2O C 112 24.855 10.022 20.059 0.00 0.00 -ATOM 2351 H1 H2O C 112 25.052 9.042 20.053 0.00 0.00 -ATOM 2352 H2 H2O C 112 25.677 10.525 20.329 0.00 0.00 -ATOM 2353 O1 H2O C 113 18.839 11.250 22.623 0.00 0.00 -ATOM 2354 H1 H2O C 113 17.844 11.322 22.566 0.00 0.00 -ATOM 2355 H2 H2O C 113 19.214 11.079 21.712 0.00 0.00 -ATOM 2356 O1 H2O C 114 18.146 24.265 24.495 0.00 0.00 -ATOM 2357 H1 H2O C 114 17.227 24.616 24.678 0.00 0.00 -ATOM 2358 H2 H2O C 114 18.573 23.985 25.355 0.00 0.00 -ATOM 2359 O1 H2O C 115 14.700 3.443 28.980 0.00 0.00 -ATOM 2360 H1 H2O C 115 14.914 4.378 29.261 0.00 0.00 -ATOM 2361 H2 H2O C 115 13.766 3.406 28.625 0.00 0.00 -ATOM 2362 O1 H2O C 116 8.065 3.811 19.822 0.00 0.00 -ATOM 2363 H1 H2O C 116 8.992 4.061 19.542 0.00 0.00 -ATOM 2364 H2 H2O C 116 7.469 4.611 19.754 0.00 0.00 -ATOM 2365 O1 H2O C 117 19.986 3.539 29.676 0.00 0.00 -ATOM 2366 H1 H2O C 117 20.294 2.806 30.283 0.00 0.00 -ATOM 2367 H2 H2O C 117 19.032 3.380 29.419 0.00 0.00 -ATOM 2368 O1 H2O C 118 2.290 13.583 25.601 0.00 0.00 -ATOM 2369 H1 H2O C 118 2.061 12.610 25.590 0.00 0.00 -ATOM 2370 H2 H2O C 118 1.502 14.108 25.923 0.00 0.00 -ATOM 2371 O1 H2O C 119 18.084 14.249 20.229 0.00 0.00 -ATOM 2372 H1 H2O C 119 17.224 14.078 20.711 0.00 0.00 -ATOM 2373 H2 H2O C 119 18.299 13.467 19.644 0.00 0.00 -ATOM 2374 O1 H2O C 120 29.639 14.458 26.587 0.00 0.00 -ATOM 2375 H1 H2O C 120 28.702 14.663 26.306 0.00 0.00 -ATOM 2376 H2 H2O C 120 29.704 14.492 27.584 0.00 0.00 -ATOM 2377 O1 H2O C 121 2.823 19.938 20.222 0.00 0.00 -ATOM 2378 H1 H2O C 121 2.197 19.200 19.970 0.00 0.00 -ATOM 2379 H2 H2O C 121 3.103 19.827 21.176 0.00 0.00 -ATOM 2380 O1 H2O C 122 9.092 24.935 24.289 0.00 0.00 -ATOM 2381 H1 H2O C 122 8.775 25.845 24.023 0.00 0.00 -ATOM 2382 H2 H2O C 122 8.834 24.757 25.239 0.00 0.00 -ATOM 2383 O1 H2O C 123 22.650 8.430 28.180 0.00 0.00 -ATOM 2384 H1 H2O C 123 22.848 7.820 27.412 0.00 0.00 -ATOM 2385 H2 H2O C 123 23.423 9.049 28.322 0.00 0.00 -ATOM 2386 O1 H2O C 124 22.841 11.857 29.358 0.00 0.00 -ATOM 2387 H1 H2O C 124 22.987 10.970 29.796 0.00 0.00 -ATOM 2388 H2 H2O C 124 23.611 12.061 28.753 0.00 0.00 -ATOM 2389 O1 H2O C 125 15.905 26.682 26.786 0.00 0.00 -ATOM 2390 H1 H2O C 125 15.386 27.473 26.462 0.00 0.00 -ATOM 2391 H2 H2O C 125 15.961 26.706 27.784 0.00 0.00 -ATOM 2392 O1 H2O C 126 9.132 13.019 24.091 0.00 0.00 -ATOM 2393 H1 H2O C 126 9.539 12.670 24.935 0.00 0.00 -ATOM 2394 H2 H2O C 126 8.806 12.253 23.536 0.00 0.00 -ATOM 2395 O1 H2O C 127 28.339 10.246 25.132 0.00 0.00 -ATOM 2396 H1 H2O C 127 27.381 10.231 25.419 0.00 0.00 -ATOM 2397 H2 H2O C 127 28.541 11.121 24.691 0.00 0.00 -ATOM 2398 O1 H2O C 128 8.438 10.610 20.188 0.00 0.00 -ATOM 2399 H1 H2O C 128 7.563 10.837 19.760 0.00 0.00 -ATOM 2400 H2 H2O C 128 8.384 10.789 21.170 0.00 0.00 -ATOM 2401 O1 H2O C 129 8.596 6.086 21.938 0.00 0.00 -ATOM 2402 H1 H2O C 129 8.867 5.275 21.419 0.00 0.00 -ATOM 2403 H2 H2O C 129 8.030 5.811 22.715 0.00 0.00 -ATOM 2404 O1 H2O C 130 22.479 7.989 20.036 0.00 0.00 -ATOM 2405 H1 H2O C 130 21.677 7.706 20.562 0.00 0.00 -ATOM 2406 H2 H2O C 130 22.364 8.936 19.736 0.00 0.00 -ATOM 2407 O1 H2O C 131 20.080 9.060 28.904 0.00 0.00 -ATOM 2408 H1 H2O C 131 20.975 9.033 28.459 0.00 0.00 -ATOM 2409 H2 H2O C 131 19.860 8.155 29.268 0.00 0.00 -ATOM 2410 O1 H2O C 132 8.760 24.666 27.156 0.00 0.00 -ATOM 2411 H1 H2O C 132 9.390 24.255 27.815 0.00 0.00 -ATOM 2412 H2 H2O C 132 8.517 25.588 27.457 0.00 0.00 -ATOM 2413 O1 H2O C 133 23.309 28.772 29.149 0.00 0.00 -ATOM 2414 H1 H2O C 133 22.553 29.213 29.633 0.00 0.00 -ATOM 2415 H2 H2O C 133 23.419 27.837 29.485 0.00 0.00 -ATOM 2416 O1 H2O C 134 16.229 22.807 29.670 0.00 0.00 -ATOM 2417 H1 H2O C 134 16.223 22.589 28.694 0.00 0.00 -ATOM 2418 H2 H2O C 134 16.403 21.974 30.197 0.00 0.00 -ATOM 2419 O1 H2O C 135 25.919 2.974 27.724 0.00 0.00 -ATOM 2420 H1 H2O C 135 25.424 2.420 28.393 0.00 0.00 -ATOM 2421 H2 H2O C 135 26.303 3.779 28.176 0.00 0.00 -ATOM 2422 O1 H2O C 136 9.085 29.671 29.087 0.00 0.00 -ATOM 2423 H1 H2O C 136 8.131 29.848 29.332 0.00 0.00 -ATOM 2424 H2 H2O C 136 9.288 28.701 29.218 0.00 0.00 -ATOM 2425 O1 H2O C 137 25.235 28.913 25.102 0.00 0.00 -ATOM 2426 H1 H2O C 137 25.894 28.359 24.593 0.00 0.00 -ATOM 2427 H2 H2O C 137 24.893 28.391 25.883 0.00 0.00 -ATOM 2428 O1 H2O C 138 10.740 28.595 26.245 0.00 0.00 -ATOM 2429 H1 H2O C 138 11.068 28.716 25.308 0.00 0.00 -ATOM 2430 H2 H2O C 138 10.558 29.490 26.652 0.00 0.00 -ATOM 2431 O1 H2O C 139 3.767 16.607 26.311 0.00 0.00 -ATOM 2432 H1 H2O C 139 4.009 17.102 27.146 0.00 0.00 -ATOM 2433 H2 H2O C 139 3.976 15.636 26.427 0.00 0.00 -ATOM 2434 O1 H2O C 140 25.527 14.322 23.369 0.00 0.00 -ATOM 2435 H1 H2O C 140 25.251 15.260 23.160 0.00 0.00 -ATOM 2436 H2 H2O C 140 26.097 13.969 22.627 0.00 0.00 -ATOM 2437 O1 H2O C 141 17.292 2.756 28.698 0.00 0.00 -ATOM 2438 H1 H2O C 141 16.314 2.963 28.725 0.00 0.00 -ATOM 2439 H2 H2O C 141 17.640 2.912 27.774 0.00 0.00 -ATOM 2440 O1 H2O C 142 5.704 27.970 25.468 0.00 0.00 -ATOM 2441 H1 H2O C 142 5.461 27.108 25.022 0.00 0.00 -ATOM 2442 H2 H2O C 142 5.284 28.731 24.973 0.00 0.00 -ATOM 2443 O1 H2O C 143 9.239 8.257 29.355 0.00 0.00 -ATOM 2444 H1 H2O C 143 9.865 9.037 29.366 0.00 0.00 -ATOM 2445 H2 H2O C 143 8.447 8.458 29.931 0.00 0.00 -ATOM 2446 O1 H2O C 144 16.859 2.431 22.399 0.00 0.00 -ATOM 2447 H1 H2O C 144 17.147 1.527 22.717 0.00 0.00 -ATOM 2448 H2 H2O C 144 16.327 2.335 21.558 0.00 0.00 -ATOM 2449 O1 H2O C 145 3.559 20.459 22.970 0.00 0.00 -ATOM 2450 H1 H2O C 145 2.826 21.134 22.890 0.00 0.00 -ATOM 2451 H2 H2O C 145 4.370 20.893 23.364 0.00 0.00 -ATOM 2452 O1 H2O C 146 22.818 15.945 25.784 0.00 0.00 -ATOM 2453 H1 H2O C 146 22.277 16.062 24.950 0.00 0.00 -ATOM 2454 H2 H2O C 146 22.843 14.976 26.031 0.00 0.00 -ATOM 2455 O1 H2O C 147 5.629 3.387 29.914 0.00 0.00 -ATOM 2456 H1 H2O C 147 4.867 3.492 30.554 0.00 0.00 -ATOM 2457 H2 H2O C 147 5.412 3.856 29.058 0.00 0.00 -ATOM 2458 O1 H2O C 148 3.105 21.959 25.964 0.00 0.00 -ATOM 2459 H1 H2O C 148 2.211 21.573 25.738 0.00 0.00 -ATOM 2460 H2 H2O C 148 2.985 22.864 26.372 0.00 0.00 -ATOM 2461 O1 H2O C 149 1.308 10.591 26.501 0.00 0.00 -ATOM 2462 H1 H2O C 149 2.172 10.120 26.326 0.00 0.00 -ATOM 2463 H2 H2O C 149 0.546 9.970 26.317 0.00 0.00 -ATOM 2464 O1 H2O C 150 5.867 29.471 20.187 0.00 0.00 -ATOM 2465 H1 H2O C 150 6.697 30.027 20.133 0.00 0.00 -ATOM 2466 H2 H2O C 150 6.074 28.607 20.646 0.00 0.00 -ATOM 2467 O1 H2O C 151 12.587 24.959 25.443 0.00 0.00 -ATOM 2468 H1 H2O C 151 12.726 25.547 26.240 0.00 0.00 -ATOM 2469 H2 H2O C 151 12.395 24.026 25.747 0.00 0.00 -ATOM 2470 O1 H2O C 152 26.746 17.725 21.216 0.00 0.00 -ATOM 2471 H1 H2O C 152 26.263 17.513 22.065 0.00 0.00 -ATOM 2472 H2 H2O C 152 27.681 18.011 21.428 0.00 0.00 -ATOM 2473 O1 H2O C 153 21.592 15.928 23.540 0.00 0.00 -ATOM 2474 H1 H2O C 153 22.242 15.411 22.982 0.00 0.00 -ATOM 2475 H2 H2O C 153 20.666 15.590 23.372 0.00 0.00 -ATOM 2476 O1 H2O C 154 1.429 22.002 22.800 0.00 0.00 -ATOM 2477 H1 H2O C 154 1.645 22.935 23.090 0.00 0.00 -ATOM 2478 H2 H2O C 154 0.437 21.884 22.768 0.00 0.00 -ATOM 2479 O1 H2O C 155 14.276 26.475 19.874 0.00 0.00 -ATOM 2480 H1 H2O C 155 14.300 26.329 20.863 0.00 0.00 -ATOM 2481 H2 H2O C 155 14.893 27.224 19.633 0.00 0.00 -ATOM 2482 O1 H2O C 156 24.477 14.468 29.496 0.00 0.00 -ATOM 2483 H1 H2O C 156 24.617 13.798 28.767 0.00 0.00 -ATOM 2484 H2 H2O C 156 23.499 14.652 29.596 0.00 0.00 -ATOM 2485 O1 H2O C 157 4.583 13.980 26.911 0.00 0.00 -ATOM 2486 H1 H2O C 157 4.302 14.091 27.864 0.00 0.00 -ATOM 2487 H2 H2O C 157 3.785 13.760 26.351 0.00 0.00 -ATOM 2488 O1 H2O C 158 19.130 19.166 29.602 0.00 0.00 -ATOM 2489 H1 H2O C 158 19.603 19.184 28.721 0.00 0.00 -ATOM 2490 H2 H2O C 158 18.490 19.934 29.652 0.00 0.00 -ATOM 2491 O1 H2O C 159 27.847 28.133 24.549 0.00 0.00 -ATOM 2492 H1 H2O C 159 28.515 28.827 24.281 0.00 0.00 -ATOM 2493 H2 H2O C 159 28.323 27.288 24.794 0.00 0.00 -ATOM 2494 O1 H2O C 160 21.824 14.769 29.926 0.00 0.00 -ATOM 2495 H1 H2O C 160 21.117 15.474 29.879 0.00 0.00 -ATOM 2496 H2 H2O C 160 21.408 13.896 30.183 0.00 0.00 -ATOM 2497 O1 H2O C 161 14.428 0.541 29.316 0.00 0.00 -ATOM 2498 H1 H2O C 161 13.436 0.516 29.436 0.00 0.00 -ATOM 2499 H2 H2O C 161 14.743 1.490 29.335 0.00 0.00 -ATOM 2500 O1 H2O C 162 21.040 16.123 19.988 0.00 0.00 -ATOM 2501 H1 H2O C 162 21.164 17.103 20.141 0.00 0.00 -ATOM 2502 H2 H2O C 162 20.398 15.982 19.234 0.00 0.00 -ATOM 2503 O1 H2O C 163 11.739 13.629 23.338 0.00 0.00 -ATOM 2504 H1 H2O C 163 10.809 13.795 23.667 0.00 0.00 -ATOM 2505 H2 H2O C 163 12.344 14.352 23.670 0.00 0.00 -ATOM 2506 O1 H2O C 164 4.433 12.795 22.881 0.00 0.00 -ATOM 2507 H1 H2O C 164 5.283 13.318 22.948 0.00 0.00 -ATOM 2508 H2 H2O C 164 3.656 13.424 22.863 0.00 0.00 -ATOM 2509 O1 H2O C 165 28.016 4.406 20.259 0.00 0.00 -ATOM 2510 H1 H2O C 165 28.540 3.842 19.621 0.00 0.00 -ATOM 2511 H2 H2O C 165 28.498 4.457 21.133 0.00 0.00 -ATOM 2512 O1 H2O C 166 23.941 6.463 29.693 0.00 0.00 -ATOM 2513 H1 H2O C 166 23.342 7.141 29.267 0.00 0.00 -ATOM 2514 H2 H2O C 166 23.567 5.548 29.547 0.00 0.00 -ATOM 2515 O1 H2O C 167 3.916 10.473 29.669 0.00 0.00 -ATOM 2516 H1 H2O C 167 3.400 9.684 29.333 0.00 0.00 -ATOM 2517 H2 H2O C 167 4.649 10.159 30.273 0.00 0.00 -ATOM 2518 O1 H2O C 168 9.328 14.420 19.854 0.00 0.00 -ATOM 2519 H1 H2O C 168 9.290 15.397 20.065 0.00 0.00 -ATOM 2520 H2 H2O C 168 10.191 14.040 20.187 0.00 0.00 -ATOM 2521 O1 H2O C 169 13.074 18.130 28.990 0.00 0.00 -ATOM 2522 H1 H2O C 169 13.448 18.065 28.065 0.00 0.00 -ATOM 2523 H2 H2O C 169 12.909 19.090 29.217 0.00 0.00 -ATOM 2524 O1 H2O C 170 19.985 28.129 27.788 0.00 0.00 -ATOM 2525 H1 H2O C 170 19.560 27.850 26.927 0.00 0.00 -ATOM 2526 H2 H2O C 170 19.386 28.775 28.261 0.00 0.00 -ATOM 2527 O1 H2O C 171 6.241 10.828 24.196 0.00 0.00 -ATOM 2528 H1 H2O C 171 6.369 11.282 25.078 0.00 0.00 -ATOM 2529 H2 H2O C 171 5.448 11.221 23.731 0.00 0.00 -ATOM 2530 O1 H2O C 172 26.013 20.173 19.960 0.00 0.00 -ATOM 2531 H1 H2O C 172 26.431 19.288 20.163 0.00 0.00 -ATOM 2532 H2 H2O C 172 25.108 20.219 20.384 0.00 0.00 -ATOM 2533 O1 H2O C 173 6.253 21.698 28.866 0.00 0.00 -ATOM 2534 H1 H2O C 173 5.273 21.553 29.006 0.00 0.00 -ATOM 2535 H2 H2O C 173 6.509 22.602 29.209 0.00 0.00 -ATOM 2536 O1 H2O C 174 13.312 23.510 29.497 0.00 0.00 -ATOM 2537 H1 H2O C 174 13.141 24.483 29.654 0.00 0.00 -ATOM 2538 H2 H2O C 174 14.269 23.302 29.700 0.00 0.00 -ATOM 2539 O1 H2O C 175 23.395 13.422 25.392 0.00 0.00 -ATOM 2540 H1 H2O C 175 23.817 13.786 24.562 0.00 0.00 -ATOM 2541 H2 H2O C 175 22.947 12.552 25.184 0.00 0.00 -ATOM 2542 O1 H2O C 176 21.483 8.928 22.810 0.00 0.00 -ATOM 2543 H1 H2O C 176 21.165 9.875 22.752 0.00 0.00 -ATOM 2544 H2 H2O C 176 20.710 8.330 23.019 0.00 0.00 -ATOM 2545 O1 H2O C 177 18.383 8.130 25.475 0.00 0.00 -ATOM 2546 H1 H2O C 177 18.820 7.667 24.704 0.00 0.00 -ATOM 2547 H2 H2O C 177 18.845 8.999 25.648 0.00 0.00 -ATOM 2548 O1 H2O C 178 2.825 3.704 29.476 0.00 0.00 -ATOM 2549 H1 H2O C 178 1.868 3.978 29.566 0.00 0.00 -ATOM 2550 H2 H2O C 178 2.924 3.093 28.690 0.00 0.00 -ATOM 2551 O1 H2O C 179 8.455 17.358 20.553 0.00 0.00 -ATOM 2552 H1 H2O C 179 8.607 18.331 20.378 0.00 0.00 -ATOM 2553 H2 H2O C 179 7.480 17.153 20.473 0.00 0.00 -ATOM 2554 O1 H2O C 180 0.618 8.983 20.537 0.00 0.00 -ATOM 2555 H1 H2O C 180 -0.168 8.554 20.092 0.00 0.00 -ATOM 2556 H2 H2O C 180 1.360 8.317 20.617 0.00 0.00 -ATOM 2557 O1 H2O C 181 22.301 2.596 26.878 0.00 0.00 -ATOM 2558 H1 H2O C 181 22.572 1.636 26.805 0.00 0.00 -ATOM 2559 H2 H2O C 181 21.748 2.847 26.083 0.00 0.00 -ATOM 2560 O1 H2O C 182 7.777 11.886 29.248 0.00 0.00 -ATOM 2561 H1 H2O C 182 8.767 11.804 29.360 0.00 0.00 -ATOM 2562 H2 H2O C 182 7.486 12.805 29.515 0.00 0.00 -ATOM 2563 O1 H2O C 183 16.769 16.570 29.204 0.00 0.00 -ATOM 2564 H1 H2O C 183 17.691 16.517 29.586 0.00 0.00 -ATOM 2565 H2 H2O C 183 16.523 17.528 29.058 0.00 0.00 -ATOM 2566 O1 H2O C 184 10.351 5.512 29.200 0.00 0.00 -ATOM 2567 H1 H2O C 184 9.931 6.413 29.307 0.00 0.00 -ATOM 2568 H2 H2O C 184 9.636 4.821 29.096 0.00 0.00 -ATOM 2569 O1 H2O C 185 15.760 19.282 28.361 0.00 0.00 -ATOM 2570 H1 H2O C 185 14.983 19.909 28.303 0.00 0.00 -ATOM 2571 H2 H2O C 185 16.310 19.355 27.529 0.00 0.00 -ATOM 2572 O1 H2O C 186 23.690 22.724 28.560 0.00 0.00 -ATOM 2573 H1 H2O C 186 23.019 23.093 29.204 0.00 0.00 -ATOM 2574 H2 H2O C 186 24.611 22.971 28.862 0.00 0.00 -ATOM 2575 O1 H2O C 187 1.895 28.020 20.245 0.00 0.00 -ATOM 2576 H1 H2O C 187 1.579 28.272 19.330 0.00 0.00 -ATOM 2577 H2 H2O C 187 1.958 27.025 20.313 0.00 0.00 -ATOM 2578 O1 H2O C 188 5.541 8.290 23.419 0.00 0.00 -ATOM 2579 H1 H2O C 188 4.566 8.177 23.609 0.00 0.00 -ATOM 2580 H2 H2O C 188 5.820 9.221 23.652 0.00 0.00 -ATOM 2581 O1 H2O C 189 26.184 22.881 19.708 0.00 0.00 -ATOM 2582 H1 H2O C 189 26.349 21.901 19.601 0.00 0.00 -ATOM 2583 H2 H2O C 189 25.221 23.079 19.527 0.00 0.00 -ATOM 2584 O1 H2O C 190 4.135 14.324 19.946 0.00 0.00 -ATOM 2585 H1 H2O C 190 3.691 13.484 19.635 0.00 0.00 -ATOM 2586 H2 H2O C 190 5.106 14.148 20.107 0.00 0.00 -ATOM 2587 O1 H2O C 191 26.608 5.035 29.338 0.00 0.00 -ATOM 2588 H1 H2O C 191 25.677 5.398 29.381 0.00 0.00 -ATOM 2589 H2 H2O C 191 27.263 5.785 29.429 0.00 0.00 -ATOM 2590 O1 H2O C 192 25.001 12.714 27.500 0.00 0.00 -ATOM 2591 H1 H2O C 192 24.429 13.088 26.770 0.00 0.00 -ATOM 2592 H2 H2O C 192 25.962 12.910 27.306 0.00 0.00 -ATOM 2593 O1 H2O C 193 24.855 26.000 20.086 0.00 0.00 -ATOM 2594 H1 H2O C 193 24.809 25.336 19.339 0.00 0.00 -ATOM 2595 H2 H2O C 193 24.478 25.592 20.918 0.00 0.00 -ATOM 2596 O1 H2O C 194 13.624 15.406 24.297 0.00 0.00 -ATOM 2597 H1 H2O C 194 13.295 14.953 25.126 0.00 0.00 -ATOM 2598 H2 H2O C 194 14.574 15.689 24.426 0.00 0.00 -ATOM 2599 O1 H2O C 195 0.314 14.157 29.228 0.00 0.00 -ATOM 2600 H1 H2O C 195 -0.630 13.877 29.400 0.00 0.00 -ATOM 2601 H2 H2O C 195 0.894 13.346 29.154 0.00 0.00 -ATOM 2602 O1 H2O C 196 17.338 19.348 26.021 0.00 0.00 -ATOM 2603 H1 H2O C 196 17.804 18.466 26.084 0.00 0.00 -ATOM 2604 H2 H2O C 196 16.842 19.402 25.154 0.00 0.00 -ATOM 2605 O1 H2O C 197 14.025 10.949 21.108 0.00 0.00 -ATOM 2606 H1 H2O C 197 14.576 10.178 20.788 0.00 0.00 -ATOM 2607 H2 H2O C 197 13.056 10.708 21.063 0.00 0.00 -ATOM 2608 O1 H2O C 198 18.048 21.185 27.780 0.00 0.00 -ATOM 2609 H1 H2O C 198 18.292 20.448 27.150 0.00 0.00 -ATOM 2610 H2 H2O C 198 17.347 21.763 27.362 0.00 0.00 -ATOM 2611 O1 H2O C 199 9.957 22.224 24.428 0.00 0.00 -ATOM 2612 H1 H2O C 199 9.568 23.140 24.327 0.00 0.00 -ATOM 2613 H2 H2O C 199 10.851 22.289 24.871 0.00 0.00 -ATOM 2614 O1 H2O C 200 28.087 3.889 24.664 0.00 0.00 -ATOM 2615 H1 H2O C 200 27.488 3.126 24.422 0.00 0.00 -ATOM 2616 H2 H2O C 200 28.448 4.307 23.831 0.00 0.00 -ATOM 2617 O1 H2O C 201 19.278 28.279 20.197 0.00 0.00 -ATOM 2618 H1 H2O C 201 20.188 28.388 19.796 0.00 0.00 -ATOM 2619 H2 H2O C 201 18.728 29.090 19.999 0.00 0.00 -ATOM 2620 O1 H2O C 202 5.691 16.744 23.950 0.00 0.00 -ATOM 2621 H1 H2O C 202 4.820 16.981 24.379 0.00 0.00 -ATOM 2622 H2 H2O C 202 6.380 17.427 24.194 0.00 0.00 -ATOM 2623 O1 H2O C 203 3.299 2.722 23.036 0.00 0.00 -ATOM 2624 H1 H2O C 203 3.039 3.174 22.183 0.00 0.00 -ATOM 2625 H2 H2O C 203 2.621 2.024 23.265 0.00 0.00 -ATOM 2626 O1 H2O C 204 24.877 1.310 29.567 0.00 0.00 -ATOM 2627 H1 H2O C 204 24.279 1.666 30.285 0.00 0.00 -ATOM 2628 H2 H2O C 204 24.677 0.342 29.415 0.00 0.00 -ATOM 2629 O1 H2O C 205 29.425 22.050 29.365 0.00 0.00 -ATOM 2630 H1 H2O C 205 28.464 22.247 29.561 0.00 0.00 -ATOM 2631 H2 H2O C 205 29.607 21.081 29.528 0.00 0.00 -ATOM 2632 O1 H2O C 206 18.552 16.850 26.822 0.00 0.00 -ATOM 2633 H1 H2O C 206 18.995 15.968 26.658 0.00 0.00 -ATOM 2634 H2 H2O C 206 17.596 16.700 27.076 0.00 0.00 -ATOM 2635 O1 H2O C 207 11.438 27.596 20.356 0.00 0.00 -ATOM 2636 H1 H2O C 207 10.866 26.802 20.150 0.00 0.00 -ATOM 2637 H2 H2O C 207 12.280 27.549 19.818 0.00 0.00 -ATOM 2638 O1 H2O C 208 17.622 11.843 27.139 0.00 0.00 -ATOM 2639 H1 H2O C 208 18.104 12.600 27.579 0.00 0.00 -ATOM 2640 H2 H2O C 208 18.285 11.230 26.709 0.00 0.00 -ATOM 2641 O1 H2O C 209 14.082 5.257 22.827 0.00 0.00 -ATOM 2642 H1 H2O C 209 13.682 6.067 22.400 0.00 0.00 -ATOM 2643 H2 H2O C 209 14.579 4.728 22.138 0.00 0.00 -ATOM 2644 O1 H2O C 210 11.343 10.445 20.383 0.00 0.00 -ATOM 2645 H1 H2O C 210 11.690 9.949 19.587 0.00 0.00 -ATOM 2646 H2 H2O C 210 10.347 10.361 20.420 0.00 0.00 -ATOM 2647 O1 H2O C 211 9.835 25.510 19.754 0.00 0.00 -ATOM 2648 H1 H2O C 211 8.839 25.601 19.729 0.00 0.00 -ATOM 2649 H2 H2O C 211 10.079 24.551 19.896 0.00 0.00 -ATOM 2650 O1 H2O C 212 28.765 11.394 20.944 0.00 0.00 -ATOM 2651 H1 H2O C 212 27.895 11.383 21.435 0.00 0.00 -ATOM 2652 H2 H2O C 212 29.099 10.457 20.837 0.00 0.00 -ATOM 2653 O1 H2O C 213 19.293 7.269 23.266 0.00 0.00 -ATOM 2654 H1 H2O C 213 18.401 7.177 22.824 0.00 0.00 -ATOM 2655 H2 H2O C 213 19.808 6.419 23.158 0.00 0.00 -ATOM 2656 O1 H2O C 214 6.400 9.259 29.777 0.00 0.00 -ATOM 2657 H1 H2O C 214 6.590 10.189 29.462 0.00 0.00 -ATOM 2658 H2 H2O C 214 5.681 8.855 29.210 0.00 0.00 -ATOM 2659 O1 H2O C 215 4.683 21.794 20.039 0.00 0.00 -ATOM 2660 H1 H2O C 215 5.379 21.283 20.543 0.00 0.00 -ATOM 2661 H2 H2O C 215 3.923 21.186 19.810 0.00 0.00 -ATOM 2662 O1 H2O C 216 23.760 25.999 29.739 0.00 0.00 -ATOM 2663 H1 H2O C 216 24.693 25.821 30.053 0.00 0.00 -ATOM 2664 H2 H2O C 216 23.185 25.205 29.937 0.00 0.00 -ATOM 2665 O1 H2O C 217 10.188 4.039 25.670 0.00 0.00 -ATOM 2666 H1 H2O C 217 10.963 3.418 25.553 0.00 0.00 -ATOM 2667 H2 H2O C 217 10.519 4.982 25.702 0.00 0.00 -ATOM 2668 O1 H2O C 218 28.603 25.454 22.760 0.00 0.00 -ATOM 2669 H1 H2O C 218 28.611 25.270 21.777 0.00 0.00 -ATOM 2670 H2 H2O C 218 27.739 25.892 23.010 0.00 0.00 -ATOM 2671 O1 H2O C 219 1.063 13.483 20.802 0.00 0.00 -ATOM 2672 H1 H2O C 219 0.569 14.199 20.309 0.00 0.00 -ATOM 2673 H2 H2O C 219 0.430 12.749 21.047 0.00 0.00 -ATOM 2674 O1 H2O C 220 6.079 11.765 26.853 0.00 0.00 -ATOM 2675 H1 H2O C 220 5.640 12.646 26.678 0.00 0.00 -ATOM 2676 H2 H2O C 220 6.651 11.834 27.670 0.00 0.00 -ATOM 2677 O1 H2O C 221 20.303 19.225 26.969 0.00 0.00 -ATOM 2678 H1 H2O C 221 19.751 18.466 26.623 0.00 0.00 -ATOM 2679 H2 H2O C 221 21.193 18.880 27.268 0.00 0.00 -ATOM 2680 O1 H2O C 222 5.338 -0.004 23.398 0.00 0.00 -ATOM 2681 H1 H2O C 222 4.362 0.125 23.224 0.00 0.00 -ATOM 2682 H2 H2O C 222 5.830 0.840 23.184 0.00 0.00 -ATOM 2683 O1 H2O C 223 17.530 6.700 20.538 0.00 0.00 -ATOM 2684 H1 H2O C 223 17.318 6.381 21.462 0.00 0.00 -ATOM 2685 H2 H2O C 223 18.162 6.059 20.101 0.00 0.00 -ATOM 2686 O1 H2O C 224 10.107 1.318 22.819 0.00 0.00 -ATOM 2687 H1 H2O C 224 10.056 1.134 21.837 0.00 0.00 -ATOM 2688 H2 H2O C 224 9.197 1.229 23.223 0.00 0.00 -ATOM 2689 O1 H2O C 225 17.331 0.274 26.187 0.00 0.00 -ATOM 2690 H1 H2O C 225 17.534 0.069 27.144 0.00 0.00 -ATOM 2691 H2 H2O C 225 16.384 0.024 25.986 0.00 0.00 -ATOM 2692 O1 H2O C 226 2.105 25.144 20.655 0.00 0.00 -ATOM 2693 H1 H2O C 226 1.859 24.235 20.320 0.00 0.00 -ATOM 2694 H2 H2O C 226 2.016 25.167 21.651 0.00 0.00 -ATOM 2695 O1 H2O C 227 17.975 29.731 22.959 0.00 0.00 -ATOM 2696 H1 H2O C 227 18.877 29.935 23.340 0.00 0.00 -ATOM 2697 H2 H2O C 227 17.417 29.274 23.652 0.00 0.00 -ATOM 2698 O1 H2O C 228 15.614 24.626 25.093 0.00 0.00 -ATOM 2699 H1 H2O C 228 14.710 24.638 24.665 0.00 0.00 -ATOM 2700 H2 H2O C 228 15.669 25.354 25.777 0.00 0.00 -ATOM 2701 O1 H2O C 229 13.035 6.184 28.288 0.00 0.00 -ATOM 2702 H1 H2O C 229 13.750 6.255 28.984 0.00 0.00 -ATOM 2703 H2 H2O C 229 12.192 5.851 28.710 0.00 0.00 -ATOM 2704 O1 H2O C 230 4.535 23.301 22.501 0.00 0.00 -ATOM 2705 H1 H2O C 230 4.550 22.712 21.693 0.00 0.00 -ATOM 2706 H2 H2O C 230 5.331 23.103 23.073 0.00 0.00 -ATOM 2707 O1 H2O C 231 13.293 17.782 22.727 0.00 0.00 -ATOM 2708 H1 H2O C 231 13.236 16.791 22.851 0.00 0.00 -ATOM 2709 H2 H2O C 231 12.406 18.195 22.936 0.00 0.00 -ATOM 2710 O1 H2O C 232 15.045 0.795 24.408 0.00 0.00 -ATOM 2711 H1 H2O C 232 14.832 0.418 23.506 0.00 0.00 -ATOM 2712 H2 H2O C 232 14.896 1.784 24.399 0.00 0.00 -ATOM 2713 O1 H2O C 233 27.063 13.529 29.381 0.00 0.00 -ATOM 2714 H1 H2O C 233 26.732 12.586 29.341 0.00 0.00 -ATOM 2715 H2 H2O C 233 26.397 14.095 29.867 0.00 0.00 -ATOM 2716 O1 H2O C 234 26.287 23.569 28.764 0.00 0.00 -ATOM 2717 H1 H2O C 234 26.198 23.585 27.768 0.00 0.00 -ATOM 2718 H2 H2O C 234 26.856 24.336 29.060 0.00 0.00 -ATOM 2719 O1 H2O C 235 15.771 5.937 29.071 0.00 0.00 -ATOM 2720 H1 H2O C 235 16.129 6.753 29.526 0.00 0.00 -ATOM 2721 H2 H2O C 235 16.296 5.765 28.237 0.00 0.00 -ATOM 2722 O1 H2O C 236 29.280 4.237 29.369 0.00 0.00 -ATOM 2723 H1 H2O C 236 29.518 5.087 29.839 0.00 0.00 -ATOM 2724 H2 H2O C 236 28.290 4.102 29.407 0.00 0.00 -ATOM 2725 O1 H2O C 237 10.730 7.601 22.961 0.00 0.00 -ATOM 2726 H1 H2O C 237 10.290 6.872 22.436 0.00 0.00 -ATOM 2727 H2 H2O C 237 11.578 7.873 22.507 0.00 0.00 -ATOM 2728 O1 H2O C 238 0.293 10.107 29.820 0.00 0.00 -ATOM 2729 H1 H2O C 238 0.507 11.083 29.798 0.00 0.00 -ATOM 2730 H2 H2O C 238 1.139 9.578 29.760 0.00 0.00 -ATOM 2731 O1 H2O C 239 7.592 16.159 26.930 0.00 0.00 -ATOM 2732 H1 H2O C 239 7.408 17.139 26.856 0.00 0.00 -ATOM 2733 H2 H2O C 239 6.937 15.654 26.367 0.00 0.00 -ATOM 2734 O1 H2O C 240 16.137 26.562 23.017 0.00 0.00 -ATOM 2735 H1 H2O C 240 15.953 26.072 23.870 0.00 0.00 -ATOM 2736 H2 H2O C 240 15.302 27.018 22.709 0.00 0.00 -ATOM 2737 O1 H2O C 241 10.554 12.643 26.539 0.00 0.00 -ATOM 2738 H1 H2O C 241 10.387 12.680 27.525 0.00 0.00 -ATOM 2739 H2 H2O C 241 11.324 13.237 26.309 0.00 0.00 -ATOM 2740 O1 H2O C 242 23.914 20.362 22.144 0.00 0.00 -ATOM 2741 H1 H2O C 242 23.465 19.556 22.531 0.00 0.00 -ATOM 2742 H2 H2O C 242 24.296 20.917 22.883 0.00 0.00 -ATOM 2743 O1 H2O C 243 22.694 18.312 23.248 0.00 0.00 -ATOM 2744 H1 H2O C 243 22.210 17.441 23.330 0.00 0.00 -ATOM 2745 H2 H2O C 243 22.113 19.051 23.589 0.00 0.00 -ATOM 2746 O1 H2O C 244 27.243 27.223 20.014 0.00 0.00 -ATOM 2747 H1 H2O C 244 26.280 26.961 19.951 0.00 0.00 -ATOM 2748 H2 H2O C 244 27.808 26.400 20.080 0.00 0.00 -ATOM 2749 O1 H2O C 245 28.312 24.422 20.227 0.00 0.00 -ATOM 2750 H1 H2O C 245 29.110 23.834 20.097 0.00 0.00 -ATOM 2751 H2 H2O C 245 27.478 23.887 20.096 0.00 0.00 -ATOM 2752 O1 H2O C 246 18.738 15.174 22.735 0.00 0.00 -ATOM 2753 H1 H2O C 246 17.847 14.768 22.934 0.00 0.00 -ATOM 2754 H2 H2O C 246 18.795 15.393 21.760 0.00 0.00 -ATOM 2755 O1 H2O C 247 22.395 10.448 25.491 0.00 0.00 -ATOM 2756 H1 H2O C 247 23.206 9.862 25.487 0.00 0.00 -ATOM 2757 H2 H2O C 247 22.123 10.648 24.550 0.00 0.00 -ATOM 2758 O1 H2O C 248 18.416 21.848 22.780 0.00 0.00 -ATOM 2759 H1 H2O C 248 18.514 22.030 21.801 0.00 0.00 -ATOM 2760 H2 H2O C 248 18.199 22.700 23.257 0.00 0.00 -ATOM 2761 O1 H2O C 249 25.650 10.562 25.437 0.00 0.00 -ATOM 2762 H1 H2O C 249 25.126 11.230 25.965 0.00 0.00 -ATOM 2763 H2 H2O C 249 25.229 9.659 25.530 0.00 0.00 -ATOM 2764 O1 H2O C 250 28.339 12.763 23.940 0.00 0.00 -ATOM 2765 H1 H2O C 250 28.298 13.170 23.027 0.00 0.00 -ATOM 2766 H2 H2O C 250 28.380 13.489 24.626 0.00 0.00 -ATOM 2767 O1 H2O C 251 15.256 2.594 20.156 0.00 0.00 -ATOM 2768 H1 H2O C 251 14.389 2.096 20.190 0.00 0.00 -ATOM 2769 H2 H2O C 251 15.081 3.553 19.935 0.00 0.00 -ATOM 2770 O1 H2O C 252 1.989 23.554 29.437 0.00 0.00 -ATOM 2771 H1 H2O C 252 1.169 22.982 29.418 0.00 0.00 -ATOM 2772 H2 H2O C 252 2.798 22.980 29.314 0.00 0.00 -ATOM 2773 O1 H2O C 253 11.223 3.895 22.605 0.00 0.00 -ATOM 2774 H1 H2O C 253 10.746 3.066 22.897 0.00 0.00 -ATOM 2775 H2 H2O C 253 12.050 4.015 23.154 0.00 0.00 -ATOM 2776 O1 H2O C 254 16.054 25.586 29.548 0.00 0.00 -ATOM 2777 H1 H2O C 254 16.292 24.631 29.723 0.00 0.00 -ATOM 2778 H2 H2O C 254 15.060 25.691 29.568 0.00 0.00 -ATOM 2779 O1 H2O C 255 28.757 0.427 23.126 0.00 0.00 -ATOM 2780 H1 H2O C 255 28.785 0.350 22.129 0.00 0.00 -ATOM 2781 H2 H2O C 255 29.554 0.940 23.444 0.00 0.00 -ATOM 2782 O1 H2O C 256 5.476 6.935 26.332 0.00 0.00 -ATOM 2783 H1 H2O C 256 5.484 7.067 25.341 0.00 0.00 -ATOM 2784 H2 H2O C 256 6.400 7.063 26.694 0.00 0.00 -ATOM 2785 O1 H2O C 257 20.563 3.068 24.709 0.00 0.00 -ATOM 2786 H1 H2O C 257 20.624 2.138 24.346 0.00 0.00 -ATOM 2787 H2 H2O C 257 19.611 3.278 24.930 0.00 0.00 -ATOM 2788 O1 H2O C 258 7.994 6.840 24.608 0.00 0.00 -ATOM 2789 H1 H2O C 258 8.955 6.935 24.346 0.00 0.00 -ATOM 2790 H2 H2O C 258 7.787 7.474 25.353 0.00 0.00 -ATOM 2791 O1 H2O C 259 23.851 7.940 22.770 0.00 0.00 -ATOM 2792 H1 H2O C 259 24.361 8.198 21.949 0.00 0.00 -ATOM 2793 H2 H2O C 259 22.909 8.266 22.694 0.00 0.00 -ATOM 2794 O1 H2O C 260 19.619 11.293 19.929 0.00 0.00 -ATOM 2795 H1 H2O C 260 19.811 10.356 19.635 0.00 0.00 -ATOM 2796 H2 H2O C 260 20.409 11.656 20.423 0.00 0.00 -ATOM 2797 O1 H2O C 261 17.277 8.291 29.600 0.00 0.00 -ATOM 2798 H1 H2O C 261 17.751 9.058 29.167 0.00 0.00 -ATOM 2799 H2 H2O C 261 17.899 7.510 29.668 0.00 0.00 -ATOM 2800 O1 H2O C 262 24.864 26.868 26.891 0.00 0.00 -ATOM 2801 H1 H2O C 262 23.969 26.431 26.799 0.00 0.00 -ATOM 2802 H2 H2O C 262 24.992 27.169 27.836 0.00 0.00 -ATOM 2803 O1 H2O C 263 24.453 28.459 21.826 0.00 0.00 -ATOM 2804 H1 H2O C 263 24.829 27.719 22.384 0.00 0.00 -ATOM 2805 H2 H2O C 263 24.591 28.250 20.858 0.00 0.00 -ATOM 2806 O1 H2O C 264 26.591 20.752 28.859 0.00 0.00 -ATOM 2807 H1 H2O C 264 25.784 20.209 29.091 0.00 0.00 -ATOM 2808 H2 H2O C 264 26.347 21.722 28.842 0.00 0.00 -ATOM 2809 O1 H2O C 265 14.511 3.262 25.603 0.00 0.00 -ATOM 2810 H1 H2O C 265 13.595 2.866 25.533 0.00 0.00 -ATOM 2811 H2 H2O C 265 14.461 4.247 25.438 0.00 0.00 -ATOM 2812 O1 H2O C 266 4.083 25.281 28.713 0.00 0.00 -ATOM 2813 H1 H2O C 266 3.215 24.915 29.046 0.00 0.00 -ATOM 2814 H2 H2O C 266 4.242 24.966 27.777 0.00 0.00 -ATOM 2815 O1 H2O C 267 20.581 22.263 28.063 0.00 0.00 -ATOM 2816 H1 H2O C 267 19.639 21.941 27.970 0.00 0.00 -ATOM 2817 H2 H2O C 267 21.210 21.543 27.769 0.00 0.00 -ATOM 2818 O1 H2O C 268 21.469 0.741 21.212 0.00 0.00 -ATOM 2819 H1 H2O C 268 21.876 0.857 22.118 0.00 0.00 -ATOM 2820 H2 H2O C 268 20.771 1.442 21.067 0.00 0.00 -ATOM 2821 O1 H2O C 269 15.787 11.892 29.319 0.00 0.00 -ATOM 2822 H1 H2O C 269 16.337 12.583 29.789 0.00 0.00 -ATOM 2823 H2 H2O C 269 16.301 11.530 28.541 0.00 0.00 -ATOM 2824 O1 H2O C 270 5.426 11.315 20.560 0.00 0.00 -ATOM 2825 H1 H2O C 270 5.928 12.177 20.628 0.00 0.00 -ATOM 2826 H2 H2O C 270 4.512 11.489 20.195 0.00 0.00 -ATOM 2827 O1 H2O C 271 8.833 7.903 19.732 0.00 0.00 -ATOM 2828 H1 H2O C 271 8.325 7.395 20.428 0.00 0.00 -ATOM 2829 H2 H2O C 271 8.461 8.828 19.656 0.00 0.00 -ATOM 2830 O1 H2O C 272 27.004 0.424 27.012 0.00 0.00 -ATOM 2831 H1 H2O C 272 26.803 1.392 27.159 0.00 0.00 -ATOM 2832 H2 H2O C 272 26.454 0.082 26.250 0.00 0.00 -ATOM 2833 O1 H2O C 273 16.536 28.520 29.145 0.00 0.00 -ATOM 2834 H1 H2O C 273 16.386 27.746 29.761 0.00 0.00 -ATOM 2835 H2 H2O C 273 15.742 29.127 29.173 0.00 0.00 -ATOM 2836 O1 H2O C 274 11.734 0.482 29.101 0.00 0.00 -ATOM 2837 H1 H2O C 274 11.736 1.419 28.752 0.00 0.00 -ATOM 2838 H2 H2O C 274 10.793 0.197 29.286 0.00 0.00 -ATOM 2839 O1 H2O C 275 20.057 12.107 29.740 0.00 0.00 -ATOM 2840 H1 H2O C 275 21.022 11.981 29.511 0.00 0.00 -ATOM 2841 H2 H2O C 275 19.577 11.234 29.656 0.00 0.00 -ATOM 2842 O1 H2O C 276 7.687 26.852 29.263 0.00 0.00 -ATOM 2843 H1 H2O C 276 8.002 27.118 28.352 0.00 0.00 -ATOM 2844 H2 H2O C 276 6.819 27.308 29.462 0.00 0.00 -ATOM 2845 O1 H2O C 277 2.844 3.480 26.076 0.00 0.00 -ATOM 2846 H1 H2O C 277 1.955 3.935 26.105 0.00 0.00 -ATOM 2847 H2 H2O C 277 3.202 3.506 25.143 0.00 0.00 -ATOM 2848 O1 H2O C 278 25.968 16.607 29.197 0.00 0.00 -ATOM 2849 H1 H2O C 278 26.963 16.506 29.213 0.00 0.00 -ATOM 2850 H2 H2O C 278 25.541 15.704 29.239 0.00 0.00 -ATOM 2851 O1 H2O C 279 25.450 16.853 26.378 0.00 0.00 -ATOM 2852 H1 H2O C 279 24.482 16.649 26.229 0.00 0.00 -ATOM 2853 H2 H2O C 279 25.648 16.835 27.358 0.00 0.00 -ATOM 2854 O1 H2O C 280 10.385 29.917 20.127 0.00 0.00 -ATOM 2855 H1 H2O C 280 9.425 29.940 19.846 0.00 0.00 -ATOM 2856 H2 H2O C 280 10.676 28.967 20.240 0.00 0.00 -ATOM 2857 O1 H2O C 281 1.777 12.085 28.744 0.00 0.00 -ATOM 2858 H1 H2O C 281 2.570 11.660 29.180 0.00 0.00 -ATOM 2859 H2 H2O C 281 1.606 11.646 27.862 0.00 0.00 -ATOM 2860 O1 H2O C 282 13.109 8.244 22.040 0.00 0.00 -ATOM 2861 H1 H2O C 282 13.942 8.430 21.518 0.00 0.00 -ATOM 2862 H2 H2O C 282 13.000 8.939 22.751 0.00 0.00 -ATOM 2863 O1 H2O C 283 23.738 2.377 20.470 0.00 0.00 -ATOM 2864 H1 H2O C 283 23.094 1.777 19.995 0.00 0.00 -ATOM 2865 H2 H2O C 283 23.640 2.255 21.458 0.00 0.00 -ATOM 2866 O1 H2O C 284 20.856 18.722 20.573 0.00 0.00 -ATOM 2867 H1 H2O C 284 19.893 18.513 20.406 0.00 0.00 -ATOM 2868 H2 H2O C 284 20.937 19.284 21.396 0.00 0.00 -ATOM 2869 O1 H2O C 285 10.148 9.972 25.503 0.00 0.00 -ATOM 2870 H1 H2O C 285 10.433 10.272 26.414 0.00 0.00 -ATOM 2871 H2 H2O C 285 10.793 10.320 24.822 0.00 0.00 -ATOM 2872 O1 H2O C 286 11.169 9.977 29.411 0.00 0.00 -ATOM 2873 H1 H2O C 286 11.344 10.948 29.572 0.00 0.00 -ATOM 2874 H2 H2O C 286 12.003 9.540 29.072 0.00 0.00 -ATOM 2875 O1 H2O C 287 14.146 20.705 25.728 0.00 0.00 -ATOM 2876 H1 H2O C 287 14.871 20.784 25.044 0.00 0.00 -ATOM 2877 H2 H2O C 287 13.965 19.739 25.911 0.00 0.00 -ATOM 2878 O1 H2O C 288 7.739 1.701 21.168 0.00 0.00 -ATOM 2879 H1 H2O C 288 7.861 2.422 20.486 0.00 0.00 -ATOM 2880 H2 H2O C 288 7.132 2.028 21.893 0.00 0.00 -ATOM 2881 O1 H2O C 289 27.263 10.510 28.616 0.00 0.00 -ATOM 2882 H1 H2O C 289 28.147 10.394 29.069 0.00 0.00 -ATOM 2883 H2 H2O C 289 27.358 10.304 27.642 0.00 0.00 -ATOM 2884 O1 H2O C 290 15.838 22.592 26.915 0.00 0.00 -ATOM 2885 H1 H2O C 290 14.992 22.075 26.787 0.00 0.00 -ATOM 2886 H2 H2O C 290 15.895 23.314 26.225 0.00 0.00 -ATOM 2887 O1 H2O C 291 18.880 23.166 20.573 0.00 0.00 -ATOM 2888 H1 H2O C 291 18.405 24.045 20.612 0.00 0.00 -ATOM 2889 H2 H2O C 291 19.801 23.301 20.208 0.00 0.00 -ATOM 2890 O1 H2O C 292 14.203 15.610 28.678 0.00 0.00 -ATOM 2891 H1 H2O C 292 15.189 15.654 28.839 0.00 0.00 -ATOM 2892 H2 H2O C 292 13.787 16.487 28.918 0.00 0.00 -ATOM 2893 O1 H2O C 293 5.739 5.479 20.021 0.00 0.00 -ATOM 2894 H1 H2O C 293 5.524 6.454 19.968 0.00 0.00 -ATOM 2895 H2 H2O C 293 4.896 4.958 20.148 0.00 0.00 -ATOM 2896 O1 H2O C 294 0.888 1.981 19.865 0.00 0.00 -ATOM 2897 H1 H2O C 294 0.159 1.297 19.898 0.00 0.00 -ATOM 2898 H2 H2O C 294 1.768 1.524 19.739 0.00 0.00 -ATOM 2899 O1 H2O C 295 15.481 24.159 19.796 0.00 0.00 -ATOM 2900 H1 H2O C 295 14.843 24.854 19.464 0.00 0.00 -ATOM 2901 H2 H2O C 295 16.343 24.595 20.055 0.00 0.00 -ATOM 2902 O1 H2O C 296 2.829 11.193 20.120 0.00 0.00 -ATOM 2903 H1 H2O C 296 2.008 11.410 20.649 0.00 0.00 -ATOM 2904 H2 H2O C 296 2.594 10.559 19.384 0.00 0.00 -ATOM 2905 O1 H2O C 297 6.444 27.692 22.143 0.00 0.00 -ATOM 2906 H1 H2O C 297 6.051 28.483 22.612 0.00 0.00 -ATOM 2907 H2 H2O C 297 7.374 27.535 22.474 0.00 0.00 -ATOM 2908 O1 H2O C 298 6.687 14.332 23.203 0.00 0.00 -ATOM 2909 H1 H2O C 298 6.365 15.215 23.546 0.00 0.00 -ATOM 2910 H2 H2O C 298 7.401 13.980 23.808 0.00 0.00 -ATOM 2911 O1 H2O C 299 5.947 0.826 26.751 0.00 0.00 -ATOM 2912 H1 H2O C 299 5.789 1.811 26.823 0.00 0.00 -ATOM 2913 H2 H2O C 299 5.916 0.416 27.662 0.00 0.00 -ATOM 2914 O1 H2O C 300 2.767 7.545 21.468 0.00 0.00 -ATOM 2915 H1 H2O C 300 3.742 7.589 21.253 0.00 0.00 -ATOM 2916 H2 H2O C 300 2.647 7.245 22.415 0.00 0.00 -ATOM 2917 O1 H2O C 301 14.599 6.046 25.858 0.00 0.00 -ATOM 2918 H1 H2O C 301 14.077 6.437 25.100 0.00 0.00 -ATOM 2919 H2 H2O C 301 14.067 6.120 26.702 0.00 0.00 -ATOM 2920 O1 H2O C 302 22.402 25.759 26.778 0.00 0.00 -ATOM 2921 H1 H2O C 302 22.088 25.369 27.643 0.00 0.00 -ATOM 2922 H2 H2O C 302 21.772 26.479 26.488 0.00 0.00 -ATOM 2923 O1 H2O C 303 24.561 8.286 25.560 0.00 0.00 -ATOM 2924 H1 H2O C 303 23.903 7.620 25.910 0.00 0.00 -ATOM 2925 H2 H2O C 303 24.592 8.233 24.562 0.00 0.00 -ATOM 2926 O1 H2O C 304 16.048 18.505 23.307 0.00 0.00 -ATOM 2927 H1 H2O C 304 15.159 18.073 23.460 0.00 0.00 -ATOM 2928 H2 H2O C 304 15.914 19.464 23.059 0.00 0.00 -ATOM 2929 O1 H2O C 305 26.103 0.649 20.860 0.00 0.00 -ATOM 2930 H1 H2O C 305 25.688 -0.040 21.453 0.00 0.00 -ATOM 2931 H2 H2O C 305 25.452 1.392 20.706 0.00 0.00 -ATOM 2932 O1 H2O C 306 19.667 5.179 19.845 0.00 0.00 -ATOM 2933 H1 H2O C 306 19.659 4.572 20.639 0.00 0.00 -ATOM 2934 H2 H2O C 306 20.371 4.879 19.202 0.00 0.00 -ATOM 2935 O1 H2O C 307 19.703 10.352 26.212 0.00 0.00 -ATOM 2936 H1 H2O C 307 19.800 9.804 27.043 0.00 0.00 -ATOM 2937 H2 H2O C 307 20.581 10.392 25.734 0.00 0.00 -ATOM 2938 O1 H2O C 308 0.826 18.289 26.667 0.00 0.00 -ATOM 2939 H1 H2O C 308 0.322 19.117 26.420 0.00 0.00 -ATOM 2940 H2 H2O C 308 1.096 17.803 25.835 0.00 0.00 -ATOM 2941 O1 H2O C 309 27.944 7.941 26.883 0.00 0.00 -ATOM 2942 H1 H2O C 309 28.115 8.687 26.240 0.00 0.00 -ATOM 2943 H2 H2O C 309 27.403 7.230 26.434 0.00 0.00 -ATOM 2944 O1 H2O C 310 12.499 1.804 20.294 0.00 0.00 -ATOM 2945 H1 H2O C 310 11.868 1.088 19.997 0.00 0.00 -ATOM 2946 H2 H2O C 310 12.038 2.691 20.259 0.00 0.00 -ATOM 2947 O1 H2O C 311 2.297 26.941 25.711 0.00 0.00 -ATOM 2948 H1 H2O C 311 1.742 27.175 24.912 0.00 0.00 -ATOM 2949 H2 H2O C 311 1.997 26.062 26.080 0.00 0.00 -ATOM 2950 O1 H2O C 312 20.254 14.605 27.081 0.00 0.00 -ATOM 2951 H1 H2O C 312 20.993 14.193 27.614 0.00 0.00 -ATOM 2952 H2 H2O C 312 20.084 14.052 26.265 0.00 0.00 -ATOM 2953 O1 H2O C 313 1.082 22.689 20.043 0.00 0.00 -ATOM 2954 H1 H2O C 313 1.088 22.192 20.910 0.00 0.00 -ATOM 2955 H2 H2O C 313 1.291 22.059 19.295 0.00 0.00 -ATOM 2956 O1 H2O C 314 19.624 16.450 29.425 0.00 0.00 -ATOM 2957 H1 H2O C 314 19.331 16.277 28.484 0.00 0.00 -ATOM 2958 H2 H2O C 314 19.492 17.417 29.642 0.00 0.00 -ATOM 2959 O1 H2O C 315 28.865 19.497 29.625 0.00 0.00 -ATOM 2960 H1 H2O C 315 28.079 19.937 29.190 0.00 0.00 -ATOM 2961 H2 H2O C 315 28.678 18.522 29.743 0.00 0.00 -ATOM 2962 O1 H2O C 316 22.465 11.472 20.627 0.00 0.00 -ATOM 2963 H1 H2O C 316 23.190 10.936 20.195 0.00 0.00 -ATOM 2964 H2 H2O C 316 22.758 12.424 20.709 0.00 0.00 -ATOM 2965 O1 H2O C 317 28.379 7.585 29.455 0.00 0.00 -ATOM 2966 H1 H2O C 317 28.169 7.541 28.478 0.00 0.00 -ATOM 2967 H2 H2O C 317 28.539 8.536 29.719 0.00 0.00 -ATOM 2968 O1 H2O C 318 22.643 4.216 29.263 0.00 0.00 -ATOM 2969 H1 H2O C 318 21.679 4.173 29.523 0.00 0.00 -ATOM 2970 H2 H2O C 318 22.931 3.328 28.903 0.00 0.00 -ATOM 2971 O1 H2O C 319 5.389 25.763 23.658 0.00 0.00 -ATOM 2972 H1 H2O C 319 5.577 26.420 22.928 0.00 0.00 -ATOM 2973 H2 H2O C 319 4.820 25.022 23.302 0.00 0.00 -ATOM 2974 O1 H2O C 320 8.890 16.644 23.246 0.00 0.00 -ATOM 2975 H1 H2O C 320 8.219 15.936 23.466 0.00 0.00 -ATOM 2976 H2 H2O C 320 8.765 16.939 22.299 0.00 0.00 -ATOM 2977 O1 H2O C 321 20.139 27.367 22.716 0.00 0.00 -ATOM 2978 H1 H2O C 321 20.221 26.372 22.778 0.00 0.00 -ATOM 2979 H2 H2O C 321 19.751 27.615 21.829 0.00 0.00 -ATOM 2980 O1 H2O C 322 11.458 21.132 21.595 0.00 0.00 -ATOM 2981 H1 H2O C 322 11.092 21.933 22.069 0.00 0.00 -ATOM 2982 H2 H2O C 322 12.407 21.306 21.333 0.00 0.00 -ATOM 2983 O1 H2O C 323 21.296 0.770 29.685 0.00 0.00 -ATOM 2984 H1 H2O C 323 21.400 1.091 28.744 0.00 0.00 -ATOM 2985 H2 H2O C 323 20.508 0.157 29.743 0.00 0.00 -ATOM 2986 O1 H2O C 324 20.314 0.266 24.347 0.00 0.00 -ATOM 2987 H1 H2O C 324 21.261 -0.037 24.241 0.00 0.00 -ATOM 2988 H2 H2O C 324 19.940 -0.101 25.198 0.00 0.00 -ATOM 2989 O1 H2O C 325 7.864 19.633 29.720 0.00 0.00 -ATOM 2990 H1 H2O C 325 7.468 19.203 30.532 0.00 0.00 -ATOM 2991 H2 H2O C 325 7.378 20.485 29.524 0.00 0.00 -ATOM 2992 O1 H2O C 326 23.449 23.583 19.718 0.00 0.00 -ATOM 2993 H1 H2O C 326 22.741 24.276 19.855 0.00 0.00 -ATOM 2994 H2 H2O C 326 23.026 22.677 19.685 0.00 0.00 -ATOM 2995 O1 H2O C 327 0.530 1.346 29.477 0.00 0.00 -ATOM 2996 H1 H2O C 327 0.222 2.281 29.653 0.00 0.00 -ATOM 2997 H2 H2O C 327 1.411 1.368 29.006 0.00 0.00 -ATOM 2998 O1 H2O C 328 28.206 21.303 22.252 0.00 0.00 -ATOM 2999 H1 H2O C 328 27.484 21.302 22.944 0.00 0.00 -ATOM 3000 H2 H2O C 328 27.795 21.242 21.342 0.00 0.00 -ATOM 3001 O1 H2O C 329 -0.076 18.596 22.311 0.00 0.00 -ATOM 3002 H1 H2O C 329 0.464 18.417 23.134 0.00 0.00 -ATOM 3003 H2 H2O C 329 -0.227 19.580 22.220 0.00 0.00 -ATOM 3004 O1 H2O C 330 8.808 10.139 22.819 0.00 0.00 -ATOM 3005 H1 H2O C 330 9.367 9.390 23.175 0.00 0.00 -ATOM 3006 H2 H2O C 330 7.971 10.216 23.360 0.00 0.00 -ATOM 3007 O1 H2O C 331 23.791 5.191 22.529 0.00 0.00 -ATOM 3008 H1 H2O C 331 23.824 6.169 22.733 0.00 0.00 -ATOM 3009 H2 H2O C 331 24.473 4.972 21.832 0.00 0.00 -ATOM 3010 O1 H2O C 332 3.527 14.277 29.581 0.00 0.00 -ATOM 3011 H1 H2O C 332 3.656 15.268 29.606 0.00 0.00 -ATOM 3012 H2 H2O C 332 2.552 14.065 29.651 0.00 0.00 -ATOM 3013 O1 H2O C 333 23.593 2.408 22.996 0.00 0.00 -ATOM 3014 H1 H2O C 333 24.328 2.141 23.620 0.00 0.00 -ATOM 3015 H2 H2O C 333 23.488 3.402 23.011 0.00 0.00 -ATOM 3016 O1 H2O C 334 13.260 13.114 29.547 0.00 0.00 -ATOM 3017 H1 H2O C 334 14.019 12.467 29.606 0.00 0.00 -ATOM 3018 H2 H2O C 334 13.619 14.036 29.401 0.00 0.00 -ATOM 3019 O1 H2O C 335 27.289 25.790 26.266 0.00 0.00 -ATOM 3020 H1 H2O C 335 27.991 26.292 26.772 0.00 0.00 -ATOM 3021 H2 H2O C 335 26.402 26.230 26.402 0.00 0.00 -ATOM 3022 O1 H2O C 336 13.634 15.543 19.776 0.00 0.00 -ATOM 3023 H1 H2O C 336 13.117 14.695 19.659 0.00 0.00 -ATOM 3024 H2 H2O C 336 13.030 16.255 20.135 0.00 0.00 -ATOM 3025 O1 H2O C 337 4.770 24.412 26.100 0.00 0.00 -ATOM 3026 H1 H2O C 337 4.747 25.057 25.336 0.00 0.00 -ATOM 3027 H2 H2O C 337 5.597 23.854 26.040 0.00 0.00 -ATOM 3028 O1 H2O C 338 17.322 21.175 19.902 0.00 0.00 -ATOM 3029 H1 H2O C 338 16.368 21.472 19.850 0.00 0.00 -ATOM 3030 H2 H2O C 338 17.904 21.959 20.117 0.00 0.00 -ATOM 3031 O1 H2O C 339 20.382 24.803 23.116 0.00 0.00 -ATOM 3032 H1 H2O C 339 21.005 24.130 23.515 0.00 0.00 -ATOM 3033 H2 H2O C 339 19.446 24.603 23.406 0.00 0.00 -ATOM 3034 O1 H2O C 340 9.943 20.110 26.160 0.00 0.00 -ATOM 3035 H1 H2O C 340 10.001 19.254 25.645 0.00 0.00 -ATOM 3036 H2 H2O C 340 9.881 20.878 25.523 0.00 0.00 -ATOM 3037 O1 H2O C 341 11.747 10.766 23.313 0.00 0.00 -ATOM 3038 H1 H2O C 341 11.298 10.457 22.474 0.00 0.00 -ATOM 3039 H2 H2O C 341 11.868 11.758 23.280 0.00 0.00 -ATOM 3040 O1 H2O C 342 5.435 3.709 27.009 0.00 0.00 -ATOM 3041 H1 H2O C 342 5.954 4.080 26.238 0.00 0.00 -ATOM 3042 H2 H2O C 342 4.456 3.798 26.825 0.00 0.00 -ATOM 3043 O1 H2O C 343 19.647 2.695 21.567 0.00 0.00 -ATOM 3044 H1 H2O C 343 18.684 2.586 21.812 0.00 0.00 -ATOM 3045 H2 H2O C 343 20.079 3.346 22.191 0.00 0.00 -ATOM 3046 O1 H2O C 344 26.452 26.983 29.772 0.00 0.00 -ATOM 3047 H1 H2O C 344 27.057 26.187 29.763 0.00 0.00 -ATOM 3048 H2 H2O C 344 26.996 27.816 29.672 0.00 0.00 -ATOM 3049 O1 H2O C 345 11.002 6.548 25.494 0.00 0.00 -ATOM 3050 H1 H2O C 345 10.941 6.929 24.572 0.00 0.00 -ATOM 3051 H2 H2O C 345 11.056 7.293 26.159 0.00 0.00 -ATOM 3052 O1 H2O C 346 8.444 27.439 26.757 0.00 0.00 -ATOM 3053 H1 H2O C 346 9.327 27.758 26.412 0.00 0.00 -ATOM 3054 H2 H2O C 346 7.709 27.838 26.210 0.00 0.00 -ATOM 3055 O1 H2O C 347 15.806 21.334 23.506 0.00 0.00 -ATOM 3056 H1 H2O C 347 15.228 21.831 22.859 0.00 0.00 -ATOM 3057 H2 H2O C 347 16.759 21.382 23.206 0.00 0.00 -ATOM 3058 O1 H2O C 348 12.584 14.528 26.548 0.00 0.00 -ATOM 3059 H1 H2O C 348 13.344 14.690 27.177 0.00 0.00 -ATOM 3060 H2 H2O C 348 11.873 15.216 26.701 0.00 0.00 -ATOM 3061 O1 H2O C 349 7.844 22.772 20.487 0.00 0.00 -ATOM 3062 H1 H2O C 349 7.622 23.694 20.171 0.00 0.00 -ATOM 3063 H2 H2O C 349 7.049 22.177 20.368 0.00 0.00 -ATOM 3064 O1 H2O C 350 -0.132 7.877 23.162 0.00 0.00 -ATOM 3065 H1 H2O C 350 0.182 8.458 23.913 0.00 0.00 -ATOM 3066 H2 H2O C 350 0.163 8.270 22.291 0.00 0.00 -ATOM 3067 O1 H2O C 351 2.232 14.541 22.980 0.00 0.00 -ATOM 3068 H1 H2O C 351 1.590 14.084 22.364 0.00 0.00 -ATOM 3069 H2 H2O C 351 2.230 14.078 23.866 0.00 0.00 -ATOM 3070 O1 H2O C 352 13.540 9.378 24.865 0.00 0.00 -ATOM 3071 H1 H2O C 352 13.322 9.042 25.781 0.00 0.00 -ATOM 3072 H2 H2O C 352 12.893 10.097 24.610 0.00 0.00 -ATOM 3073 O1 H2O C 353 3.017 10.501 22.831 0.00 0.00 -ATOM 3074 H1 H2O C 353 3.544 11.348 22.766 0.00 0.00 -ATOM 3075 H2 H2O C 353 2.963 10.071 21.930 0.00 0.00 -ATOM 3076 O1 H2O C 354 12.847 8.782 27.374 0.00 0.00 -ATOM 3077 H1 H2O C 354 12.877 7.844 27.721 0.00 0.00 -ATOM 3078 H2 H2O C 354 13.448 9.360 27.925 0.00 0.00 -ATOM 3079 O1 H2O C 355 7.183 19.032 24.766 0.00 0.00 -ATOM 3080 H1 H2O C 355 7.538 19.681 24.093 0.00 0.00 -ATOM 3081 H2 H2O C 355 6.272 19.321 25.060 0.00 0.00 -ATOM 3082 O1 H2O C 356 2.772 1.415 27.890 0.00 0.00 -ATOM 3083 H1 H2O C 356 3.065 0.465 27.780 0.00 0.00 -ATOM 3084 H2 H2O C 356 2.635 1.828 26.990 0.00 0.00 -ATOM 3085 O1 H2O C 357 16.091 28.836 20.937 0.00 0.00 -ATOM 3086 H1 H2O C 357 16.509 29.441 20.259 0.00 0.00 -ATOM 3087 H2 H2O C 357 16.738 28.672 21.682 0.00 0.00 -ATOM 3088 O1 H2O C 358 13.721 17.932 26.108 0.00 0.00 -ATOM 3089 H1 H2O C 358 13.077 17.681 25.385 0.00 0.00 -ATOM 3090 H2 H2O C 358 14.538 17.359 26.038 0.00 0.00 -ATOM 3091 O1 H2O C 359 1.111 27.348 23.257 0.00 0.00 -ATOM 3092 H1 H2O C 359 1.441 27.582 22.343 0.00 0.00 -ATOM 3093 H2 H2O C 359 0.590 26.495 23.215 0.00 0.00 -ATOM 3094 O1 H2O C 360 10.767 4.411 19.863 0.00 0.00 -ATOM 3095 H1 H2O C 360 11.003 5.382 19.817 0.00 0.00 -ATOM 3096 H2 H2O C 360 10.811 4.103 20.814 0.00 0.00 -ATOM 3097 O1 H2O C 361 8.170 3.722 28.585 0.00 0.00 -ATOM 3098 H1 H2O C 361 7.957 3.958 27.637 0.00 0.00 -ATOM 3099 H2 H2O C 361 7.329 3.470 29.063 0.00 0.00 -ATOM 3100 O1 H2O C 362 14.525 29.119 26.528 0.00 0.00 -ATOM 3101 H1 H2O C 362 14.285 29.679 27.321 0.00 0.00 -ATOM 3102 H2 H2O C 362 14.655 29.708 25.730 0.00 0.00 -ATOM 3103 O1 H2O C 363 26.523 10.733 22.232 0.00 0.00 -ATOM 3104 H1 H2O C 363 26.835 9.830 22.528 0.00 0.00 -ATOM 3105 H2 H2O C 363 26.159 11.234 23.018 0.00 0.00 -ATOM 3106 O1 H2O C 364 7.225 22.488 26.422 0.00 0.00 -ATOM 3107 H1 H2O C 364 7.773 23.286 26.671 0.00 0.00 -ATOM 3108 H2 H2O C 364 7.015 21.958 27.244 0.00 0.00 -ATOM 3109 O1 H2O C 365 19.263 24.452 27.015 0.00 0.00 -ATOM 3110 H1 H2O C 365 19.897 23.732 27.298 0.00 0.00 -ATOM 3111 H2 H2O C 365 18.985 24.985 27.814 0.00 0.00 -ATOM 3112 O1 H2O C 366 25.146 26.134 23.207 0.00 0.00 -ATOM 3113 H1 H2O C 366 25.231 25.241 22.766 0.00 0.00 -ATOM 3114 H2 H2O C 366 24.806 26.014 24.140 0.00 0.00 -ATOM 3115 O1 H2O C 367 16.046 16.402 25.513 0.00 0.00 -ATOM 3116 H1 H2O C 367 16.474 16.253 24.622 0.00 0.00 -ATOM 3117 H2 H2O C 367 15.915 15.524 25.972 0.00 0.00 -ATOM 3118 O1 H2O C 368 16.888 5.175 22.997 0.00 0.00 -ATOM 3119 H1 H2O C 368 16.809 4.242 23.347 0.00 0.00 -ATOM 3120 H2 H2O C 368 16.220 5.761 23.455 0.00 0.00 -ATOM 3121 O1 H2O C 369 28.606 29.690 20.208 0.00 0.00 -ATOM 3122 H1 H2O C 369 28.475 28.744 19.913 0.00 0.00 -ATOM 3123 H2 H2O C 369 27.717 30.142 20.285 0.00 0.00 -ATOM 3124 O1 H2O C 370 24.987 7.203 20.258 0.00 0.00 -ATOM 3125 H1 H2O C 370 25.161 6.228 20.397 0.00 0.00 -ATOM 3126 H2 H2O C 370 24.019 7.342 20.048 0.00 0.00 -ATOM 3127 O1 H2O C 371 16.146 11.100 22.770 0.00 0.00 -ATOM 3128 H1 H2O C 371 15.301 11.202 22.244 0.00 0.00 -ATOM 3129 H2 H2O C 371 16.238 10.151 23.072 0.00 0.00 -ATOM 3130 O1 H2O C 372 10.344 20.223 28.778 0.00 0.00 -ATOM 3131 H1 H2O C 372 10.306 20.083 27.788 0.00 0.00 -ATOM 3132 H2 H2O C 372 9.432 20.099 29.168 0.00 0.00 -ATOM 3133 O1 H2O C 373 3.585 28.802 27.054 0.00 0.00 -ATOM 3134 H1 H2O C 373 4.460 29.111 26.680 0.00 0.00 -ATOM 3135 H2 H2O C 373 3.156 28.165 26.413 0.00 0.00 -ATOM 3136 O1 H2O C 374 9.737 23.732 22.006 0.00 0.00 -ATOM 3137 H1 H2O C 374 8.901 23.425 21.550 0.00 0.00 -ATOM 3138 H2 H2O C 374 9.498 24.316 22.782 0.00 0.00 -ATOM 3139 O1 H2O C 375 15.905 8.491 23.592 0.00 0.00 -ATOM 3140 H1 H2O C 375 16.604 8.210 24.250 0.00 0.00 -ATOM 3141 H2 H2O C 375 15.055 8.697 24.077 0.00 0.00 -ATOM 3142 O1 H2O C 376 24.781 18.940 29.360 0.00 0.00 -ATOM 3143 H1 H2O C 376 25.163 18.019 29.435 0.00 0.00 -ATOM 3144 H2 H2O C 376 24.437 19.232 30.253 0.00 0.00 -ATOM 3145 O1 H2O C 377 4.186 6.138 29.102 0.00 0.00 -ATOM 3146 H1 H2O C 377 4.573 6.062 28.182 0.00 0.00 -ATOM 3147 H2 H2O C 377 3.793 5.258 29.371 0.00 0.00 -ATOM 3148 O1 H2O C 378 21.746 22.359 24.051 0.00 0.00 -ATOM 3149 H1 H2O C 378 21.216 21.821 23.396 0.00 0.00 -ATOM 3150 H2 H2O C 378 22.098 21.757 24.768 0.00 0.00 -ATOM 3151 O1 H2O C 379 18.428 0.518 29.180 0.00 0.00 -ATOM 3152 H1 H2O C 379 17.726 -0.184 29.296 0.00 0.00 -ATOM 3153 H2 H2O C 379 17.992 1.413 29.088 0.00 0.00 -ATOM 3154 O1 H2O C 380 28.685 15.614 19.596 0.00 0.00 -ATOM 3155 H1 H2O C 380 28.357 15.827 18.676 0.00 0.00 -ATOM 3156 H2 H2O C 380 29.244 16.371 19.935 0.00 0.00 -ATOM 3157 O1 H2O C 381 12.019 22.508 26.163 0.00 0.00 -ATOM 3158 H1 H2O C 381 12.774 21.852 26.136 0.00 0.00 -ATOM 3159 H2 H2O C 381 11.636 22.536 27.086 0.00 0.00 -ATOM 3160 O1 H2O C 382 18.667 17.915 23.404 0.00 0.00 -ATOM 3161 H1 H2O C 382 17.684 18.040 23.533 0.00 0.00 -ATOM 3162 H2 H2O C 382 18.835 17.041 22.946 0.00 0.00 -ATOM 3163 O1 H2O C 383 10.358 17.849 29.825 0.00 0.00 -ATOM 3164 H1 H2O C 383 11.306 17.533 29.872 0.00 0.00 -ATOM 3165 H2 H2O C 383 10.327 18.744 29.379 0.00 0.00 -ATOM 3166 O1 H2O C 384 4.138 3.074 20.130 0.00 0.00 -ATOM 3167 H1 H2O C 384 3.783 2.140 20.085 0.00 0.00 -ATOM 3168 H2 H2O C 384 5.007 3.124 19.638 0.00 0.00 -ATOM 3169 O1 H2O C 385 15.866 14.047 26.715 0.00 0.00 -ATOM 3170 H1 H2O C 385 16.468 13.249 26.692 0.00 0.00 -ATOM 3171 H2 H2O C 385 15.325 14.033 27.556 0.00 0.00 -ATOM 3172 O1 H2O C 386 4.172 16.866 29.402 0.00 0.00 -ATOM 3173 H1 H2O C 386 4.915 17.466 29.106 0.00 0.00 -ATOM 3174 H2 H2O C 386 3.322 17.389 29.454 0.00 0.00 -ATOM 3175 O1 H2O C 387 27.465 13.867 21.428 0.00 0.00 -ATOM 3176 H1 H2O C 387 27.291 14.502 20.675 0.00 0.00 -ATOM 3177 H2 H2O C 387 27.920 13.049 21.075 0.00 0.00 -ATOM 3178 O1 H2O C 388 11.435 17.579 20.354 0.00 0.00 -ATOM 3179 H1 H2O C 388 10.560 17.318 19.946 0.00 0.00 -ATOM 3180 H2 H2O C 388 11.459 18.570 20.487 0.00 0.00 -END diff --git a/simulations/equilb_boxes/3x3x1.6nm_3-layer/gomc/u_n_3769/Output_data_BOX_1_restart.pdb b/simulations/equilb_boxes/3x3x1.6nm_3-layer/gomc/u_n_3769/Output_data_BOX_1_restart.pdb deleted file mode 100644 index e570904..0000000 --- a/simulations/equilb_boxes/3x3x1.6nm_3-layer/gomc/u_n_3769/Output_data_BOX_1_restart.pdb +++ /dev/null @@ -1,11832 +0,0 @@ -REMARK GOMC 15.000 0.78540 0.000 50000000 -CRYST1 60.000 60.000 60.000 90.00 90.00 90.00 P 1 1 -ATOM 1 O1 H2O C 1 43.871 2.702 46.209 0.00 0.00 -ATOM 2 H1 H2O C 1 43.633 2.258 47.073 0.00 0.00 -ATOM 3 H2 H2O C 1 43.559 2.136 45.446 0.00 0.00 -ATOM 4 O1 H2O C 2 23.699 40.462 34.314 0.00 0.00 -ATOM 5 H1 H2O C 2 22.843 39.950 34.377 0.00 0.00 -ATOM 6 H2 H2O C 2 23.593 41.208 33.657 0.00 0.00 -ATOM 7 O1 H2O C 3 23.565 12.201 58.032 0.00 0.00 -ATOM 8 H1 H2O C 3 24.207 12.849 57.622 0.00 0.00 -ATOM 9 H2 H2O C 3 22.961 12.686 58.665 0.00 0.00 -ATOM 10 O1 H2O C 4 24.312 48.653 11.658 0.00 0.00 -ATOM 11 H1 H2O C 4 24.220 47.658 11.667 0.00 0.00 -ATOM 12 H2 H2O C 4 24.189 49.008 12.585 0.00 0.00 -ATOM 13 O1 H2O C 5 54.020 33.249 48.415 0.00 0.00 -ATOM 14 H1 H2O C 5 54.288 33.980 47.786 0.00 0.00 -ATOM 15 H2 H2O C 5 53.701 33.650 49.274 0.00 0.00 -ATOM 16 O1 H2O C 6 18.585 38.999 17.144 0.00 0.00 -ATOM 17 H1 H2O C 6 18.911 39.147 18.078 0.00 0.00 -ATOM 18 H2 H2O C 6 19.253 39.363 16.496 0.00 0.00 -ATOM 19 O1 H2O C 7 17.954 43.718 19.578 0.00 0.00 -ATOM 20 H1 H2O C 7 17.874 44.702 19.740 0.00 0.00 -ATOM 21 H2 H2O C 7 18.083 43.246 20.450 0.00 0.00 -ATOM 22 O1 H2O C 8 33.103 8.252 17.909 0.00 0.00 -ATOM 23 H1 H2O C 8 33.091 9.009 17.256 0.00 0.00 -ATOM 24 H2 H2O C 8 32.455 8.438 18.648 0.00 0.00 -ATOM 25 O1 H2O C 9 3.382 59.036 2.116 0.00 0.00 -ATOM 26 H1 H2O C 9 2.780 58.359 1.694 0.00 0.00 -ATOM 27 H2 H2O C 9 2.898 59.907 2.200 0.00 0.00 -ATOM 28 O1 H2O C 10 8.678 35.642 13.265 0.00 0.00 -ATOM 29 H1 H2O C 10 9.283 34.970 12.838 0.00 0.00 -ATOM 30 H2 H2O C 10 7.958 35.899 12.621 0.00 0.00 -ATOM 31 O1 H2O C 11 6.877 58.574 35.445 0.00 0.00 -ATOM 32 H1 H2O C 11 5.886 58.681 35.525 0.00 0.00 -ATOM 33 H2 H2O C 11 7.082 57.730 34.950 0.00 0.00 -ATOM 34 O1 H2O C 12 34.462 46.675 44.840 0.00 0.00 -ATOM 35 H1 H2O C 12 34.708 47.065 45.728 0.00 0.00 -ATOM 36 H2 H2O C 12 34.583 47.367 44.128 0.00 0.00 -ATOM 37 O1 H2O C 13 56.896 49.725 44.433 0.00 0.00 -ATOM 38 H1 H2O C 13 56.038 50.190 44.650 0.00 0.00 -ATOM 39 H2 H2O C 13 57.627 50.088 45.013 0.00 0.00 -ATOM 40 O1 H2O C 14 40.578 11.501 47.517 0.00 0.00 -ATOM 41 H1 H2O C 14 40.344 10.977 46.697 0.00 0.00 -ATOM 42 H2 H2O C 14 40.243 12.438 47.419 0.00 0.00 -ATOM 43 O1 H2O C 15 40.380 13.060 50.625 0.00 0.00 -ATOM 44 H1 H2O C 15 40.256 13.067 49.633 0.00 0.00 -ATOM 45 H2 H2O C 15 40.494 13.998 50.953 0.00 0.00 -ATOM 46 O1 H2O C 16 5.595 53.280 45.431 0.00 0.00 -ATOM 47 H1 H2O C 16 5.433 53.352 44.446 0.00 0.00 -ATOM 48 H2 H2O C 16 6.047 52.412 45.632 0.00 0.00 -ATOM 49 O1 H2O C 17 23.925 32.108 2.158 0.00 0.00 -ATOM 50 H1 H2O C 17 24.142 31.132 2.179 0.00 0.00 -ATOM 51 H2 H2O C 17 24.223 32.498 1.286 0.00 0.00 -ATOM 52 O1 H2O C 18 38.092 34.006 3.211 0.00 0.00 -ATOM 53 H1 H2O C 18 38.399 34.083 4.159 0.00 0.00 -ATOM 54 H2 H2O C 18 38.206 34.886 2.751 0.00 0.00 -ATOM 55 O1 H2O C 19 46.912 35.605 54.938 0.00 0.00 -ATOM 56 H1 H2O C 19 46.669 36.473 55.372 0.00 0.00 -ATOM 57 H2 H2O C 19 46.829 34.864 55.604 0.00 0.00 -ATOM 58 O1 H2O C 20 21.059 14.767 17.081 0.00 0.00 -ATOM 59 H1 H2O C 20 20.373 14.195 17.532 0.00 0.00 -ATOM 60 H2 H2O C 20 21.716 14.184 16.602 0.00 0.00 -ATOM 61 O1 H2O C 21 33.201 52.213 6.524 0.00 0.00 -ATOM 62 H1 H2O C 21 33.134 51.274 6.187 0.00 0.00 -ATOM 63 H2 H2O C 21 32.410 52.418 7.100 0.00 0.00 -ATOM 64 O1 H2O C 22 30.241 18.111 18.378 0.00 0.00 -ATOM 65 H1 H2O C 22 31.210 18.124 18.133 0.00 0.00 -ATOM 66 H2 H2O C 22 30.085 17.423 19.087 0.00 0.00 -ATOM 67 O1 H2O C 23 39.265 51.903 22.489 0.00 0.00 -ATOM 68 H1 H2O C 23 38.448 51.957 21.916 0.00 0.00 -ATOM 69 H2 H2O C 23 39.992 51.430 21.991 0.00 0.00 -ATOM 70 O1 H2O C 24 49.295 35.910 39.212 0.00 0.00 -ATOM 71 H1 H2O C 24 49.835 36.747 39.305 0.00 0.00 -ATOM 72 H2 H2O C 24 49.344 35.386 40.061 0.00 0.00 -ATOM 73 O1 H2O C 25 54.728 15.928 43.031 0.00 0.00 -ATOM 74 H1 H2O C 25 55.288 15.254 42.549 0.00 0.00 -ATOM 75 H2 H2O C 25 54.756 15.744 44.013 0.00 0.00 -ATOM 76 O1 H2O C 26 58.912 22.704 57.690 0.00 0.00 -ATOM 77 H1 H2O C 26 59.632 22.696 56.996 0.00 0.00 -ATOM 78 H2 H2O C 26 58.025 22.838 57.249 0.00 0.00 -ATOM 79 O1 H2O C 27 49.125 19.317 20.892 0.00 0.00 -ATOM 80 H1 H2O C 27 50.027 18.905 21.023 0.00 0.00 -ATOM 81 H2 H2O C 27 49.230 20.285 20.667 0.00 0.00 -ATOM 82 O1 H2O C 28 54.076 29.272 8.575 0.00 0.00 -ATOM 83 H1 H2O C 28 53.669 29.804 7.833 0.00 0.00 -ATOM 84 H2 H2O C 28 54.448 29.894 9.265 0.00 0.00 -ATOM 85 O1 H2O C 29 26.823 49.580 18.316 0.00 0.00 -ATOM 86 H1 H2O C 29 26.447 50.348 18.835 0.00 0.00 -ATOM 87 H2 H2O C 29 27.581 49.901 17.748 0.00 0.00 -ATOM 88 O1 H2O C 30 19.053 59.783 9.031 0.00 0.00 -ATOM 89 H1 H2O C 30 18.678 59.498 9.913 0.00 0.00 -ATOM 90 H2 H2O C 30 18.922 59.051 8.362 0.00 0.00 -ATOM 91 O1 H2O C 31 56.967 59.684 22.046 0.00 0.00 -ATOM 92 H1 H2O C 31 57.463 59.486 22.892 0.00 0.00 -ATOM 93 H2 H2O C 31 57.372 60.484 21.602 0.00 0.00 -ATOM 94 O1 H2O C 32 0.294 -0.028 18.314 0.00 0.00 -ATOM 95 H1 H2O C 32 0.676 0.890 18.425 0.00 0.00 -ATOM 96 H2 H2O C 32 0.236 -0.249 17.341 0.00 0.00 -ATOM 97 O1 H2O C 33 19.421 45.585 25.866 0.00 0.00 -ATOM 98 H1 H2O C 33 20.072 45.607 26.624 0.00 0.00 -ATOM 99 H2 H2O C 33 19.262 46.515 25.535 0.00 0.00 -ATOM 100 O1 H2O C 34 25.533 3.558 26.977 0.00 0.00 -ATOM 101 H1 H2O C 34 25.647 2.663 26.547 0.00 0.00 -ATOM 102 H2 H2O C 34 26.022 3.574 27.850 0.00 0.00 -ATOM 103 O1 H2O C 35 27.224 59.210 34.073 0.00 0.00 -ATOM 104 H1 H2O C 35 26.930 58.775 34.924 0.00 0.00 -ATOM 105 H2 H2O C 35 27.866 59.947 34.280 0.00 0.00 -ATOM 106 O1 H2O C 36 43.175 46.193 38.956 0.00 0.00 -ATOM 107 H1 H2O C 36 43.588 46.432 38.078 0.00 0.00 -ATOM 108 H2 H2O C 36 42.183 46.121 38.850 0.00 0.00 -ATOM 109 O1 H2O C 37 24.523 19.769 56.087 0.00 0.00 -ATOM 110 H1 H2O C 37 25.243 19.170 56.436 0.00 0.00 -ATOM 111 H2 H2O C 37 23.984 19.279 55.402 0.00 0.00 -ATOM 112 O1 H2O C 38 52.427 13.144 4.717 0.00 0.00 -ATOM 113 H1 H2O C 38 51.472 13.437 4.768 0.00 0.00 -ATOM 114 H2 H2O C 38 53.011 13.832 5.148 0.00 0.00 -ATOM 115 O1 H2O C 39 29.333 28.977 40.053 0.00 0.00 -ATOM 116 H1 H2O C 39 30.058 29.307 39.447 0.00 0.00 -ATOM 117 H2 H2O C 39 29.603 29.122 41.005 0.00 0.00 -ATOM 118 O1 H2O C 40 48.196 50.007 43.201 0.00 0.00 -ATOM 119 H1 H2O C 40 47.626 50.493 43.864 0.00 0.00 -ATOM 120 H2 H2O C 40 47.646 49.315 42.733 0.00 0.00 -ATOM 121 O1 H2O C 41 43.815 20.860 57.773 0.00 0.00 -ATOM 122 H1 H2O C 41 44.618 21.110 57.231 0.00 0.00 -ATOM 123 H2 H2O C 41 43.050 21.455 57.530 0.00 0.00 -ATOM 124 O1 H2O C 42 55.026 17.874 10.891 0.00 0.00 -ATOM 125 H1 H2O C 42 54.273 18.407 10.503 0.00 0.00 -ATOM 126 H2 H2O C 42 54.691 16.972 11.163 0.00 0.00 -ATOM 127 O1 H2O C 43 12.228 30.009 35.298 0.00 0.00 -ATOM 128 H1 H2O C 43 12.757 29.667 36.075 0.00 0.00 -ATOM 129 H2 H2O C 43 12.026 29.254 34.675 0.00 0.00 -ATOM 130 O1 H2O C 44 58.809 58.999 31.426 0.00 0.00 -ATOM 131 H1 H2O C 44 59.028 58.915 32.398 0.00 0.00 -ATOM 132 H2 H2O C 44 58.565 59.947 31.220 0.00 0.00 -ATOM 133 O1 H2O C 45 52.598 57.383 16.207 0.00 0.00 -ATOM 134 H1 H2O C 45 52.727 56.416 15.988 0.00 0.00 -ATOM 135 H2 H2O C 45 53.223 57.645 16.942 0.00 0.00 -ATOM 136 O1 H2O C 46 37.168 51.835 26.302 0.00 0.00 -ATOM 137 H1 H2O C 46 37.633 52.260 25.525 0.00 0.00 -ATOM 138 H2 H2O C 46 37.848 51.505 26.957 0.00 0.00 -ATOM 139 O1 H2O C 47 53.759 17.134 50.031 0.00 0.00 -ATOM 140 H1 H2O C 47 53.122 16.389 50.230 0.00 0.00 -ATOM 141 H2 H2O C 47 54.584 17.024 50.585 0.00 0.00 -ATOM 142 O1 H2O C 48 41.736 15.588 11.507 0.00 0.00 -ATOM 143 H1 H2O C 48 40.970 15.897 10.943 0.00 0.00 -ATOM 144 H2 H2O C 48 41.418 14.887 12.145 0.00 0.00 -ATOM 145 O1 H2O C 49 44.139 53.720 31.090 0.00 0.00 -ATOM 146 H1 H2O C 49 44.202 52.791 30.725 0.00 0.00 -ATOM 147 H2 H2O C 49 43.829 53.684 32.040 0.00 0.00 -ATOM 148 O1 H2O C 50 53.781 58.607 34.218 0.00 0.00 -ATOM 149 H1 H2O C 50 54.573 59.036 34.651 0.00 0.00 -ATOM 150 H2 H2O C 50 53.313 58.023 34.881 0.00 0.00 -ATOM 151 O1 H2O C 51 31.887 49.723 50.077 0.00 0.00 -ATOM 152 H1 H2O C 51 32.478 49.245 50.727 0.00 0.00 -ATOM 153 H2 H2O C 51 31.274 50.337 50.574 0.00 0.00 -ATOM 154 O1 H2O C 52 27.228 49.888 31.301 0.00 0.00 -ATOM 155 H1 H2O C 52 27.011 49.574 30.377 0.00 0.00 -ATOM 156 H2 H2O C 52 27.536 49.113 31.853 0.00 0.00 -ATOM 157 O1 H2O C 53 46.495 33.177 56.098 0.00 0.00 -ATOM 158 H1 H2O C 53 47.320 32.781 56.501 0.00 0.00 -ATOM 159 H2 H2O C 53 46.752 33.894 55.450 0.00 0.00 -ATOM 160 O1 H2O C 54 0.884 19.059 21.247 0.00 0.00 -ATOM 161 H1 H2O C 54 0.735 19.099 20.259 0.00 0.00 -ATOM 162 H2 H2O C 54 0.302 18.349 21.643 0.00 0.00 -ATOM 163 O1 H2O C 55 12.975 13.341 27.471 0.00 0.00 -ATOM 164 H1 H2O C 55 12.306 12.639 27.715 0.00 0.00 -ATOM 165 H2 H2O C 55 12.920 13.528 26.491 0.00 0.00 -ATOM 166 O1 H2O C 56 0.374 46.370 45.702 0.00 0.00 -ATOM 167 H1 H2O C 56 -0.161 45.581 46.003 0.00 0.00 -ATOM 168 H2 H2O C 56 0.399 46.393 44.702 0.00 0.00 -ATOM 169 O1 H2O C 57 32.317 17.227 45.615 0.00 0.00 -ATOM 170 H1 H2O C 57 31.779 17.388 44.788 0.00 0.00 -ATOM 171 H2 H2O C 57 33.290 17.236 45.387 0.00 0.00 -ATOM 172 O1 H2O C 58 53.547 30.016 26.439 0.00 0.00 -ATOM 173 H1 H2O C 58 52.662 29.875 25.994 0.00 0.00 -ATOM 174 H2 H2O C 58 53.664 30.987 26.648 0.00 0.00 -ATOM 175 O1 H2O C 59 59.450 1.718 11.201 0.00 0.00 -ATOM 176 H1 H2O C 59 59.217 2.227 12.030 0.00 0.00 -ATOM 177 H2 H2O C 59 60.004 0.922 11.445 0.00 0.00 -ATOM 178 O1 H2O C 60 59.336 46.310 37.996 0.00 0.00 -ATOM 179 H1 H2O C 60 59.783 45.447 37.757 0.00 0.00 -ATOM 180 H2 H2O C 60 59.641 46.603 38.902 0.00 0.00 -ATOM 181 O1 H2O C 61 21.270 55.141 11.985 0.00 0.00 -ATOM 182 H1 H2O C 61 22.150 54.684 11.862 0.00 0.00 -ATOM 183 H2 H2O C 61 20.684 54.585 12.575 0.00 0.00 -ATOM 184 O1 H2O C 62 37.044 49.191 12.788 0.00 0.00 -ATOM 185 H1 H2O C 62 37.701 48.623 12.292 0.00 0.00 -ATOM 186 H2 H2O C 62 36.790 48.738 13.642 0.00 0.00 -ATOM 187 O1 H2O C 63 33.272 16.779 40.884 0.00 0.00 -ATOM 188 H1 H2O C 63 33.124 16.083 40.182 0.00 0.00 -ATOM 189 H2 H2O C 63 33.096 16.385 41.786 0.00 0.00 -ATOM 190 O1 H2O C 64 25.570 13.909 7.944 0.00 0.00 -ATOM 191 H1 H2O C 64 24.819 14.318 8.463 0.00 0.00 -ATOM 192 H2 H2O C 64 26.344 13.740 8.553 0.00 0.00 -ATOM 193 O1 H2O C 65 54.827 1.053 0.758 0.00 0.00 -ATOM 194 H1 H2O C 65 54.532 0.664 -0.114 0.00 0.00 -ATOM 195 H2 H2O C 65 54.894 2.047 0.675 0.00 0.00 -ATOM 196 O1 H2O C 66 43.768 21.670 23.032 0.00 0.00 -ATOM 197 H1 H2O C 66 44.199 21.234 22.241 0.00 0.00 -ATOM 198 H2 H2O C 66 43.262 20.985 23.556 0.00 0.00 -ATOM 199 O1 H2O C 67 49.197 49.571 21.321 0.00 0.00 -ATOM 200 H1 H2O C 67 49.127 50.194 20.541 0.00 0.00 -ATOM 201 H2 H2O C 67 49.639 48.722 21.030 0.00 0.00 -ATOM 202 O1 H2O C 68 51.593 46.204 17.790 0.00 0.00 -ATOM 203 H1 H2O C 68 52.248 46.781 17.301 0.00 0.00 -ATOM 204 H2 H2O C 68 51.396 46.607 18.684 0.00 0.00 -ATOM 205 O1 H2O C 69 30.787 29.777 24.002 0.00 0.00 -ATOM 206 H1 H2O C 69 31.677 30.136 23.721 0.00 0.00 -ATOM 207 H2 H2O C 69 30.105 30.507 23.963 0.00 0.00 -ATOM 208 O1 H2O C 70 12.196 10.957 40.078 0.00 0.00 -ATOM 209 H1 H2O C 70 11.549 11.006 40.838 0.00 0.00 -ATOM 210 H2 H2O C 70 11.785 11.366 39.263 0.00 0.00 -ATOM 211 O1 H2O C 71 17.981 11.942 47.156 0.00 0.00 -ATOM 212 H1 H2O C 71 18.288 12.892 47.212 0.00 0.00 -ATOM 213 H2 H2O C 71 18.166 11.586 46.239 0.00 0.00 -ATOM 214 O1 H2O C 72 48.126 22.992 20.683 0.00 0.00 -ATOM 215 H1 H2O C 72 47.594 22.147 20.636 0.00 0.00 -ATOM 216 H2 H2O C 72 49.101 22.771 20.703 0.00 0.00 -ATOM 217 O1 H2O C 73 36.960 48.572 43.736 0.00 0.00 -ATOM 218 H1 H2O C 73 36.472 47.797 43.333 0.00 0.00 -ATOM 219 H2 H2O C 73 36.332 49.343 43.842 0.00 0.00 -ATOM 220 O1 H2O C 74 9.642 47.610 13.967 0.00 0.00 -ATOM 221 H1 H2O C 74 8.824 47.038 14.028 0.00 0.00 -ATOM 222 H2 H2O C 74 9.646 48.268 14.721 0.00 0.00 -ATOM 223 O1 H2O C 75 54.501 37.605 52.857 0.00 0.00 -ATOM 224 H1 H2O C 75 54.972 38.011 52.073 0.00 0.00 -ATOM 225 H2 H2O C 75 54.505 38.252 53.620 0.00 0.00 -ATOM 226 O1 H2O C 76 37.311 0.117 2.355 0.00 0.00 -ATOM 227 H1 H2O C 76 37.893 -0.280 1.646 0.00 0.00 -ATOM 228 H2 H2O C 76 37.514 1.092 2.446 0.00 0.00 -ATOM 229 O1 H2O C 77 44.950 19.629 34.224 0.00 0.00 -ATOM 230 H1 H2O C 77 45.576 20.235 34.717 0.00 0.00 -ATOM 231 H2 H2O C 77 45.224 19.577 33.264 0.00 0.00 -ATOM 232 O1 H2O C 78 13.649 19.004 8.157 0.00 0.00 -ATOM 233 H1 H2O C 78 12.894 19.020 8.812 0.00 0.00 -ATOM 234 H2 H2O C 78 13.706 19.889 7.693 0.00 0.00 -ATOM 235 O1 H2O C 79 59.783 38.594 31.370 0.00 0.00 -ATOM 236 H1 H2O C 79 58.871 38.501 31.769 0.00 0.00 -ATOM 237 H2 H2O C 79 59.713 39.046 30.481 0.00 0.00 -ATOM 238 O1 H2O C 80 12.331 9.818 2.575 0.00 0.00 -ATOM 239 H1 H2O C 80 12.623 10.216 3.445 0.00 0.00 -ATOM 240 H2 H2O C 80 12.140 8.845 2.701 0.00 0.00 -ATOM 241 O1 H2O C 81 35.080 1.447 22.853 0.00 0.00 -ATOM 242 H1 H2O C 81 34.086 1.441 22.958 0.00 0.00 -ATOM 243 H2 H2O C 81 35.437 0.524 22.998 0.00 0.00 -ATOM 244 O1 H2O C 82 7.630 16.102 13.165 0.00 0.00 -ATOM 245 H1 H2O C 82 7.960 16.413 12.274 0.00 0.00 -ATOM 246 H2 H2O C 82 7.189 16.862 13.642 0.00 0.00 -ATOM 247 O1 H2O C 83 55.244 19.433 37.223 0.00 0.00 -ATOM 248 H1 H2O C 83 56.192 19.116 37.213 0.00 0.00 -ATOM 249 H2 H2O C 83 54.714 18.878 37.864 0.00 0.00 -ATOM 250 O1 H2O C 84 2.854 10.334 36.662 0.00 0.00 -ATOM 251 H1 H2O C 84 2.567 10.024 35.755 0.00 0.00 -ATOM 252 H2 H2O C 84 2.814 9.568 37.304 0.00 0.00 -ATOM 253 O1 H2O C 85 54.642 48.150 12.976 0.00 0.00 -ATOM 254 H1 H2O C 85 54.984 48.954 12.489 0.00 0.00 -ATOM 255 H2 H2O C 85 54.680 48.317 13.962 0.00 0.00 -ATOM 256 O1 H2O C 86 45.817 1.369 51.660 0.00 0.00 -ATOM 257 H1 H2O C 86 45.113 0.660 51.653 0.00 0.00 -ATOM 258 H2 H2O C 86 45.616 2.047 50.953 0.00 0.00 -ATOM 259 O1 H2O C 87 15.641 47.536 44.658 0.00 0.00 -ATOM 260 H1 H2O C 87 15.652 48.514 44.450 0.00 0.00 -ATOM 261 H2 H2O C 87 15.318 47.029 43.859 0.00 0.00 -ATOM 262 O1 H2O C 88 16.034 45.223 20.572 0.00 0.00 -ATOM 263 H1 H2O C 88 15.461 44.403 20.553 0.00 0.00 -ATOM 264 H2 H2O C 88 16.387 45.360 21.498 0.00 0.00 -ATOM 265 O1 H2O C 89 55.235 33.316 57.555 0.00 0.00 -ATOM 266 H1 H2O C 89 55.866 32.803 56.973 0.00 0.00 -ATOM 267 H2 H2O C 89 55.122 32.839 58.427 0.00 0.00 -ATOM 268 O1 H2O C 90 37.815 24.781 54.668 0.00 0.00 -ATOM 269 H1 H2O C 90 37.397 24.787 55.577 0.00 0.00 -ATOM 270 H2 H2O C 90 37.357 25.452 54.086 0.00 0.00 -ATOM 271 O1 H2O C 91 34.348 25.677 27.980 0.00 0.00 -ATOM 272 H1 H2O C 91 33.744 25.743 28.775 0.00 0.00 -ATOM 273 H2 H2O C 91 35.298 25.789 28.273 0.00 0.00 -ATOM 274 O1 H2O C 92 42.036 43.962 18.517 0.00 0.00 -ATOM 275 H1 H2O C 92 42.868 43.513 18.842 0.00 0.00 -ATOM 276 H2 H2O C 92 42.276 44.673 17.857 0.00 0.00 -ATOM 277 O1 H2O C 93 33.955 46.480 55.787 0.00 0.00 -ATOM 278 H1 H2O C 93 34.921 46.275 55.626 0.00 0.00 -ATOM 279 H2 H2O C 93 33.623 45.936 56.557 0.00 0.00 -ATOM 280 O1 H2O C 94 23.453 55.196 47.370 0.00 0.00 -ATOM 281 H1 H2O C 94 24.241 54.752 46.943 0.00 0.00 -ATOM 282 H2 H2O C 94 23.297 56.085 46.938 0.00 0.00 -ATOM 283 O1 H2O C 95 21.348 13.580 18.839 0.00 0.00 -ATOM 284 H1 H2O C 95 21.815 14.073 18.106 0.00 0.00 -ATOM 285 H2 H2O C 95 21.409 12.596 18.670 0.00 0.00 -ATOM 286 O1 H2O C 96 27.428 9.797 59.024 0.00 0.00 -ATOM 287 H1 H2O C 96 26.683 9.441 59.589 0.00 0.00 -ATOM 288 H2 H2O C 96 27.975 10.439 59.561 0.00 0.00 -ATOM 289 O1 H2O C 97 4.046 17.296 16.836 0.00 0.00 -ATOM 290 H1 H2O C 97 4.668 17.720 17.494 0.00 0.00 -ATOM 291 H2 H2O C 97 3.907 17.913 16.062 0.00 0.00 -ATOM 292 O1 H2O C 98 19.611 13.432 2.898 0.00 0.00 -ATOM 293 H1 H2O C 98 19.176 12.601 2.553 0.00 0.00 -ATOM 294 H2 H2O C 98 18.910 14.117 3.098 0.00 0.00 -ATOM 295 O1 H2O C 99 1.582 58.959 20.617 0.00 0.00 -ATOM 296 H1 H2O C 99 1.655 58.911 21.614 0.00 0.00 -ATOM 297 H2 H2O C 99 1.389 58.048 20.254 0.00 0.00 -ATOM 298 O1 H2O C 100 48.351 23.498 47.367 0.00 0.00 -ATOM 299 H1 H2O C 100 48.077 22.721 46.801 0.00 0.00 -ATOM 300 H2 H2O C 100 47.979 24.341 46.978 0.00 0.00 -ATOM 301 O1 H2O C 101 10.165 0.504 21.284 0.00 0.00 -ATOM 302 H1 H2O C 101 10.140 1.286 20.661 0.00 0.00 -ATOM 303 H2 H2O C 101 9.237 0.160 21.425 0.00 0.00 -ATOM 304 O1 H2O C 102 25.273 11.141 47.336 0.00 0.00 -ATOM 305 H1 H2O C 102 25.799 11.048 46.490 0.00 0.00 -ATOM 306 H2 H2O C 102 24.950 12.083 47.425 0.00 0.00 -ATOM 307 O1 H2O C 103 56.786 16.363 46.834 0.00 0.00 -ATOM 308 H1 H2O C 103 55.894 16.512 47.262 0.00 0.00 -ATOM 309 H2 H2O C 103 57.376 17.150 47.012 0.00 0.00 -ATOM 310 O1 H2O C 104 4.138 18.406 13.554 0.00 0.00 -ATOM 311 H1 H2O C 104 4.622 19.134 13.067 0.00 0.00 -ATOM 312 H2 H2O C 104 3.782 17.744 12.895 0.00 0.00 -ATOM 313 O1 H2O C 105 1.521 35.169 51.665 0.00 0.00 -ATOM 314 H1 H2O C 105 0.833 34.843 51.016 0.00 0.00 -ATOM 315 H2 H2O C 105 1.111 35.246 52.574 0.00 0.00 -ATOM 316 O1 H2O C 106 57.927 28.072 1.291 0.00 0.00 -ATOM 317 H1 H2O C 106 57.511 27.814 2.163 0.00 0.00 -ATOM 318 H2 H2O C 106 58.402 27.283 0.901 0.00 0.00 -ATOM 319 O1 H2O C 107 42.869 10.772 50.498 0.00 0.00 -ATOM 320 H1 H2O C 107 42.445 10.405 51.326 0.00 0.00 -ATOM 321 H2 H2O C 107 42.731 11.762 50.464 0.00 0.00 -ATOM 322 O1 H2O C 108 17.806 1.843 48.208 0.00 0.00 -ATOM 323 H1 H2O C 108 17.412 2.734 47.984 0.00 0.00 -ATOM 324 H2 H2O C 108 18.445 1.943 48.971 0.00 0.00 -ATOM 325 O1 H2O C 109 37.348 3.901 29.328 0.00 0.00 -ATOM 326 H1 H2O C 109 37.940 3.189 29.706 0.00 0.00 -ATOM 327 H2 H2O C 109 36.785 4.288 30.058 0.00 0.00 -ATOM 328 O1 H2O C 110 0.001 42.715 16.876 0.00 0.00 -ATOM 329 H1 H2O C 110 -0.425 43.464 16.368 0.00 0.00 -ATOM 330 H2 H2O C 110 0.962 42.931 17.046 0.00 0.00 -ATOM 331 O1 H2O C 111 55.650 23.092 57.286 0.00 0.00 -ATOM 332 H1 H2O C 111 55.128 22.643 58.012 0.00 0.00 -ATOM 333 H2 H2O C 111 56.376 22.481 56.971 0.00 0.00 -ATOM 334 O1 H2O C 112 59.702 19.910 8.579 0.00 0.00 -ATOM 335 H1 H2O C 112 60.585 19.643 8.193 0.00 0.00 -ATOM 336 H2 H2O C 112 59.513 20.865 8.350 0.00 0.00 -ATOM 337 O1 H2O C 113 53.132 43.615 36.935 0.00 0.00 -ATOM 338 H1 H2O C 113 52.905 43.900 36.003 0.00 0.00 -ATOM 339 H2 H2O C 113 53.905 44.155 37.269 0.00 0.00 -ATOM 340 O1 H2O C 114 22.994 56.732 36.566 0.00 0.00 -ATOM 341 H1 H2O C 114 23.853 56.577 37.054 0.00 0.00 -ATOM 342 H2 H2O C 114 22.225 56.539 37.176 0.00 0.00 -ATOM 343 O1 H2O C 115 59.526 4.217 17.465 0.00 0.00 -ATOM 344 H1 H2O C 115 58.741 4.820 17.328 0.00 0.00 -ATOM 345 H2 H2O C 115 59.269 3.468 18.076 0.00 0.00 -ATOM 346 O1 H2O C 116 6.062 34.300 30.905 0.00 0.00 -ATOM 347 H1 H2O C 116 6.292 33.918 31.800 0.00 0.00 -ATOM 348 H2 H2O C 116 6.864 34.260 30.309 0.00 0.00 -ATOM 349 O1 H2O C 117 7.762 15.656 41.581 0.00 0.00 -ATOM 350 H1 H2O C 117 7.528 16.610 41.395 0.00 0.00 -ATOM 351 H2 H2O C 117 8.755 15.546 41.560 0.00 0.00 -ATOM 352 O1 H2O C 118 39.434 2.110 45.029 0.00 0.00 -ATOM 353 H1 H2O C 118 40.381 2.016 44.721 0.00 0.00 -ATOM 354 H2 H2O C 118 39.384 2.805 45.747 0.00 0.00 -ATOM 355 O1 H2O C 119 38.928 28.591 15.117 0.00 0.00 -ATOM 356 H1 H2O C 119 39.190 27.713 14.715 0.00 0.00 -ATOM 357 H2 H2O C 119 38.019 28.849 14.791 0.00 0.00 -ATOM 358 O1 H2O C 120 6.217 32.728 2.740 0.00 0.00 -ATOM 359 H1 H2O C 120 5.470 32.471 3.353 0.00 0.00 -ATOM 360 H2 H2O C 120 6.353 32.008 2.059 0.00 0.00 -ATOM 361 O1 H2O C 121 47.726 22.328 43.530 0.00 0.00 -ATOM 362 H1 H2O C 121 47.532 21.668 44.255 0.00 0.00 -ATOM 363 H2 H2O C 121 46.906 22.466 42.975 0.00 0.00 -ATOM 364 O1 H2O C 122 53.724 2.239 33.830 0.00 0.00 -ATOM 365 H1 H2O C 122 54.016 1.539 34.481 0.00 0.00 -ATOM 366 H2 H2O C 122 52.734 2.181 33.701 0.00 0.00 -ATOM 367 O1 H2O C 123 31.773 45.219 12.534 0.00 0.00 -ATOM 368 H1 H2O C 123 31.094 45.918 12.757 0.00 0.00 -ATOM 369 H2 H2O C 123 32.175 44.864 13.378 0.00 0.00 -ATOM 370 O1 H2O C 124 40.890 14.892 50.093 0.00 0.00 -ATOM 371 H1 H2O C 124 40.102 14.838 49.480 0.00 0.00 -ATOM 372 H2 H2O C 124 40.572 14.960 51.039 0.00 0.00 -ATOM 373 O1 H2O C 125 58.961 6.797 3.275 0.00 0.00 -ATOM 374 H1 H2O C 125 58.846 6.166 4.042 0.00 0.00 -ATOM 375 H2 H2O C 125 59.871 6.679 2.879 0.00 0.00 -ATOM 376 O1 H2O C 126 25.523 39.807 53.423 0.00 0.00 -ATOM 377 H1 H2O C 126 24.854 39.137 53.101 0.00 0.00 -ATOM 378 H2 H2O C 126 25.734 40.448 52.686 0.00 0.00 -ATOM 379 O1 H2O C 127 33.370 45.827 55.937 0.00 0.00 -ATOM 380 H1 H2O C 127 33.868 46.032 55.094 0.00 0.00 -ATOM 381 H2 H2O C 127 33.544 44.878 56.203 0.00 0.00 -ATOM 382 O1 H2O C 128 28.677 44.460 36.579 0.00 0.00 -ATOM 383 H1 H2O C 128 28.377 45.330 36.188 0.00 0.00 -ATOM 384 H2 H2O C 128 28.523 44.467 37.567 0.00 0.00 -ATOM 385 O1 H2O C 129 42.258 27.678 5.098 0.00 0.00 -ATOM 386 H1 H2O C 129 42.260 27.264 4.188 0.00 0.00 -ATOM 387 H2 H2O C 129 42.810 28.511 5.087 0.00 0.00 -ATOM 388 O1 H2O C 130 23.546 31.107 55.214 0.00 0.00 -ATOM 389 H1 H2O C 130 22.749 31.642 55.494 0.00 0.00 -ATOM 390 H2 H2O C 130 24.161 30.994 55.994 0.00 0.00 -ATOM 391 O1 H2O C 131 22.101 49.814 29.571 0.00 0.00 -ATOM 392 H1 H2O C 131 22.922 50.327 29.321 0.00 0.00 -ATOM 393 H2 H2O C 131 22.068 48.962 29.048 0.00 0.00 -ATOM 394 O1 H2O C 132 31.413 49.462 54.083 0.00 0.00 -ATOM 395 H1 H2O C 132 30.791 50.214 53.862 0.00 0.00 -ATOM 396 H2 H2O C 132 31.764 49.583 55.012 0.00 0.00 -ATOM 397 O1 H2O C 133 46.358 7.926 29.125 0.00 0.00 -ATOM 398 H1 H2O C 133 46.817 7.434 28.385 0.00 0.00 -ATOM 399 H2 H2O C 133 46.741 7.639 30.003 0.00 0.00 -ATOM 400 O1 H2O C 134 37.068 3.423 0.211 0.00 0.00 -ATOM 401 H1 H2O C 134 36.953 4.413 0.128 0.00 0.00 -ATOM 402 H2 H2O C 134 36.374 3.058 0.831 0.00 0.00 -ATOM 403 O1 H2O C 135 28.687 19.541 43.561 0.00 0.00 -ATOM 404 H1 H2O C 135 29.466 19.339 42.967 0.00 0.00 -ATOM 405 H2 H2O C 135 28.632 18.850 44.283 0.00 0.00 -ATOM 406 O1 H2O C 136 55.096 6.895 5.231 0.00 0.00 -ATOM 407 H1 H2O C 136 55.875 6.869 4.605 0.00 0.00 -ATOM 408 H2 H2O C 136 54.255 7.041 4.710 0.00 0.00 -ATOM 409 O1 H2O C 137 16.407 39.362 43.877 0.00 0.00 -ATOM 410 H1 H2O C 137 16.931 39.546 44.709 0.00 0.00 -ATOM 411 H2 H2O C 137 16.998 39.475 43.079 0.00 0.00 -ATOM 412 O1 H2O C 138 38.287 25.150 56.716 0.00 0.00 -ATOM 413 H1 H2O C 138 38.111 24.170 56.811 0.00 0.00 -ATOM 414 H2 H2O C 138 37.866 25.484 55.872 0.00 0.00 -ATOM 415 O1 H2O C 139 11.476 25.174 27.612 0.00 0.00 -ATOM 416 H1 H2O C 139 11.512 25.658 28.487 0.00 0.00 -ATOM 417 H2 H2O C 139 10.534 25.163 27.276 0.00 0.00 -ATOM 418 O1 H2O C 140 6.142 41.058 54.314 0.00 0.00 -ATOM 419 H1 H2O C 140 6.268 41.876 54.876 0.00 0.00 -ATOM 420 H2 H2O C 140 6.405 41.258 53.371 0.00 0.00 -ATOM 421 O1 H2O C 141 12.555 51.536 38.013 0.00 0.00 -ATOM 422 H1 H2O C 141 13.082 52.383 37.948 0.00 0.00 -ATOM 423 H2 H2O C 141 13.170 50.778 38.233 0.00 0.00 -ATOM 424 O1 H2O C 142 10.189 20.335 9.734 0.00 0.00 -ATOM 425 H1 H2O C 142 11.113 20.386 10.112 0.00 0.00 -ATOM 426 H2 H2O C 142 10.091 19.493 9.204 0.00 0.00 -ATOM 427 O1 H2O C 143 14.607 51.397 12.501 0.00 0.00 -ATOM 428 H1 H2O C 143 14.745 50.428 12.705 0.00 0.00 -ATOM 429 H2 H2O C 143 15.483 51.876 12.553 0.00 0.00 -ATOM 430 O1 H2O C 144 48.214 55.121 27.009 0.00 0.00 -ATOM 431 H1 H2O C 144 49.131 54.787 27.229 0.00 0.00 -ATOM 432 H2 H2O C 144 48.017 54.945 26.045 0.00 0.00 -ATOM 433 O1 H2O C 145 28.083 25.404 11.031 0.00 0.00 -ATOM 434 H1 H2O C 145 28.829 25.231 11.674 0.00 0.00 -ATOM 435 H2 H2O C 145 27.829 26.371 11.066 0.00 0.00 -ATOM 436 O1 H2O C 146 25.752 13.816 36.882 0.00 0.00 -ATOM 437 H1 H2O C 146 26.050 12.861 36.848 0.00 0.00 -ATOM 438 H2 H2O C 146 25.856 14.163 37.815 0.00 0.00 -ATOM 439 O1 H2O C 147 19.576 2.462 8.965 0.00 0.00 -ATOM 440 H1 H2O C 147 18.794 2.179 8.410 0.00 0.00 -ATOM 441 H2 H2O C 147 19.759 3.433 8.814 0.00 0.00 -ATOM 442 O1 H2O C 148 19.570 44.739 15.172 0.00 0.00 -ATOM 443 H1 H2O C 148 18.722 44.211 15.217 0.00 0.00 -ATOM 444 H2 H2O C 148 19.853 44.994 16.097 0.00 0.00 -ATOM 445 O1 H2O C 149 44.058 44.744 6.091 0.00 0.00 -ATOM 446 H1 H2O C 149 43.926 45.566 6.646 0.00 0.00 -ATOM 447 H2 H2O C 149 44.130 45.001 5.127 0.00 0.00 -ATOM 448 O1 H2O C 150 55.284 10.499 42.294 0.00 0.00 -ATOM 449 H1 H2O C 150 54.486 10.689 42.865 0.00 0.00 -ATOM 450 H2 H2O C 150 55.897 9.872 42.776 0.00 0.00 -ATOM 451 O1 H2O C 151 22.100 12.262 49.032 0.00 0.00 -ATOM 452 H1 H2O C 151 22.793 11.575 49.253 0.00 0.00 -ATOM 453 H2 H2O C 151 22.403 13.157 49.359 0.00 0.00 -ATOM 454 O1 H2O C 152 10.534 29.339 47.993 0.00 0.00 -ATOM 455 H1 H2O C 152 10.135 29.779 47.189 0.00 0.00 -ATOM 456 H2 H2O C 152 10.807 30.038 48.654 0.00 0.00 -ATOM 457 O1 H2O C 153 14.452 22.903 40.198 0.00 0.00 -ATOM 458 H1 H2O C 153 14.882 23.803 40.126 0.00 0.00 -ATOM 459 H2 H2O C 153 15.148 22.216 40.407 0.00 0.00 -ATOM 460 O1 H2O C 154 25.162 4.839 31.413 0.00 0.00 -ATOM 461 H1 H2O C 154 25.229 4.560 32.370 0.00 0.00 -ATOM 462 H2 H2O C 154 24.202 4.841 31.133 0.00 0.00 -ATOM 463 O1 H2O C 155 50.405 53.678 1.081 0.00 0.00 -ATOM 464 H1 H2O C 155 51.393 53.756 0.945 0.00 0.00 -ATOM 465 H2 H2O C 155 49.928 54.053 0.287 0.00 0.00 -ATOM 466 O1 H2O C 156 55.803 26.167 7.887 0.00 0.00 -ATOM 467 H1 H2O C 156 55.293 26.094 8.744 0.00 0.00 -ATOM 468 H2 H2O C 156 56.609 25.576 7.928 0.00 0.00 -ATOM 469 O1 H2O C 157 20.945 -0.116 38.023 0.00 0.00 -ATOM 470 H1 H2O C 157 20.014 0.156 37.782 0.00 0.00 -ATOM 471 H2 H2O C 157 21.576 0.629 37.807 0.00 0.00 -ATOM 472 O1 H2O C 158 12.985 27.584 45.148 0.00 0.00 -ATOM 473 H1 H2O C 158 13.303 27.707 46.089 0.00 0.00 -ATOM 474 H2 H2O C 158 13.176 26.648 44.852 0.00 0.00 -ATOM 475 O1 H2O C 159 45.188 27.730 22.846 0.00 0.00 -ATOM 476 H1 H2O C 159 45.345 28.068 23.774 0.00 0.00 -ATOM 477 H2 H2O C 159 45.506 26.784 22.777 0.00 0.00 -ATOM 478 O1 H2O C 160 22.597 25.906 6.421 0.00 0.00 -ATOM 479 H1 H2O C 160 22.380 25.027 6.845 0.00 0.00 -ATOM 480 H2 H2O C 160 21.957 26.082 5.673 0.00 0.00 -ATOM 481 O1 H2O C 161 16.063 12.361 24.873 0.00 0.00 -ATOM 482 H1 H2O C 161 16.351 13.057 24.216 0.00 0.00 -ATOM 483 H2 H2O C 161 15.620 12.802 25.654 0.00 0.00 -ATOM 484 O1 H2O C 162 46.956 25.870 7.086 0.00 0.00 -ATOM 485 H1 H2O C 162 46.595 25.101 6.556 0.00 0.00 -ATOM 486 H2 H2O C 162 47.035 26.672 6.494 0.00 0.00 -ATOM 487 O1 H2O C 163 13.778 5.206 17.440 0.00 0.00 -ATOM 488 H1 H2O C 163 13.167 5.998 17.431 0.00 0.00 -ATOM 489 H2 H2O C 163 13.253 4.379 17.240 0.00 0.00 -ATOM 490 O1 H2O C 164 30.406 24.125 32.806 0.00 0.00 -ATOM 491 H1 H2O C 164 31.190 23.961 32.207 0.00 0.00 -ATOM 492 H2 H2O C 164 30.723 24.244 33.747 0.00 0.00 -ATOM 493 O1 H2O C 165 37.172 22.719 25.918 0.00 0.00 -ATOM 494 H1 H2O C 165 36.679 23.555 26.158 0.00 0.00 -ATOM 495 H2 H2O C 165 36.591 22.144 25.341 0.00 0.00 -ATOM 496 O1 H2O C 166 11.693 41.100 6.442 0.00 0.00 -ATOM 497 H1 H2O C 166 10.963 41.645 6.028 0.00 0.00 -ATOM 498 H2 H2O C 166 11.416 40.817 7.361 0.00 0.00 -ATOM 499 O1 H2O C 167 45.049 23.985 25.020 0.00 0.00 -ATOM 500 H1 H2O C 167 46.026 23.808 24.897 0.00 0.00 -ATOM 501 H2 H2O C 167 44.532 23.514 24.305 0.00 0.00 -ATOM 502 O1 H2O C 168 4.575 10.415 43.625 0.00 0.00 -ATOM 503 H1 H2O C 168 5.207 9.808 43.142 0.00 0.00 -ATOM 504 H2 H2O C 168 4.646 11.338 43.249 0.00 0.00 -ATOM 505 O1 H2O C 169 40.036 7.265 7.536 0.00 0.00 -ATOM 506 H1 H2O C 169 40.075 8.250 7.708 0.00 0.00 -ATOM 507 H2 H2O C 169 39.283 6.865 8.059 0.00 0.00 -ATOM 508 O1 H2O C 170 0.853 59.619 30.685 0.00 0.00 -ATOM 509 H1 H2O C 170 1.628 59.000 30.553 0.00 0.00 -ATOM 510 H2 H2O C 170 0.923 60.382 30.042 0.00 0.00 -ATOM 511 O1 H2O C 171 9.087 1.408 42.442 0.00 0.00 -ATOM 512 H1 H2O C 171 9.090 0.857 41.608 0.00 0.00 -ATOM 513 H2 H2O C 171 9.297 0.826 43.228 0.00 0.00 -ATOM 514 O1 H2O C 172 56.918 59.766 15.939 0.00 0.00 -ATOM 515 H1 H2O C 172 56.208 60.343 16.343 0.00 0.00 -ATOM 516 H2 H2O C 172 57.697 59.710 16.564 0.00 0.00 -ATOM 517 O1 H2O C 173 57.521 14.797 55.497 0.00 0.00 -ATOM 518 H1 H2O C 173 57.983 15.659 55.702 0.00 0.00 -ATOM 519 H2 H2O C 173 57.026 14.882 54.632 0.00 0.00 -ATOM 520 O1 H2O C 174 48.401 52.674 39.279 0.00 0.00 -ATOM 521 H1 H2O C 174 49.114 53.373 39.209 0.00 0.00 -ATOM 522 H2 H2O C 174 47.543 53.101 39.565 0.00 0.00 -ATOM 523 O1 H2O C 175 6.339 33.927 47.928 0.00 0.00 -ATOM 524 H1 H2O C 175 6.250 34.921 47.980 0.00 0.00 -ATOM 525 H2 H2O C 175 6.585 33.663 46.995 0.00 0.00 -ATOM 526 O1 H2O C 176 17.314 30.098 11.963 0.00 0.00 -ATOM 527 H1 H2O C 176 17.024 29.859 11.035 0.00 0.00 -ATOM 528 H2 H2O C 176 16.655 30.737 12.363 0.00 0.00 -ATOM 529 O1 H2O C 177 33.516 17.143 15.808 0.00 0.00 -ATOM 530 H1 H2O C 177 34.114 17.896 16.081 0.00 0.00 -ATOM 531 H2 H2O C 177 33.284 17.236 14.839 0.00 0.00 -ATOM 532 O1 H2O C 178 13.925 53.247 12.230 0.00 0.00 -ATOM 533 H1 H2O C 178 12.949 53.045 12.153 0.00 0.00 -ATOM 534 H2 H2O C 178 14.318 52.714 12.979 0.00 0.00 -ATOM 535 O1 H2O C 179 18.587 23.071 32.981 0.00 0.00 -ATOM 536 H1 H2O C 179 17.848 23.377 32.381 0.00 0.00 -ATOM 537 H2 H2O C 179 18.663 22.075 32.936 0.00 0.00 -ATOM 538 O1 H2O C 180 1.271 32.253 19.002 0.00 0.00 -ATOM 539 H1 H2O C 180 1.315 31.466 18.386 0.00 0.00 -ATOM 540 H2 H2O C 180 0.425 32.760 18.835 0.00 0.00 -ATOM 541 O1 H2O C 181 30.898 5.569 32.177 0.00 0.00 -ATOM 542 H1 H2O C 181 31.895 5.636 32.201 0.00 0.00 -ATOM 543 H2 H2O C 181 30.630 4.606 32.129 0.00 0.00 -ATOM 544 O1 H2O C 182 42.174 49.129 35.128 0.00 0.00 -ATOM 545 H1 H2O C 182 42.852 48.534 35.559 0.00 0.00 -ATOM 546 H2 H2O C 182 41.320 48.625 35.001 0.00 0.00 -ATOM 547 O1 H2O C 183 42.330 12.850 30.175 0.00 0.00 -ATOM 548 H1 H2O C 183 42.752 13.366 29.429 0.00 0.00 -ATOM 549 H2 H2O C 183 43.041 12.531 30.802 0.00 0.00 -ATOM 550 O1 H2O C 184 51.561 15.691 14.110 0.00 0.00 -ATOM 551 H1 H2O C 184 50.756 16.275 14.215 0.00 0.00 -ATOM 552 H2 H2O C 184 51.288 14.814 13.716 0.00 0.00 -ATOM 553 O1 H2O C 185 44.074 18.090 33.542 0.00 0.00 -ATOM 554 H1 H2O C 185 45.049 18.113 33.763 0.00 0.00 -ATOM 555 H2 H2O C 185 43.714 19.023 33.523 0.00 0.00 -ATOM 556 O1 H2O C 186 8.601 41.777 9.269 0.00 0.00 -ATOM 557 H1 H2O C 186 7.624 41.808 9.057 0.00 0.00 -ATOM 558 H2 H2O C 186 8.725 41.729 10.261 0.00 0.00 -ATOM 559 O1 H2O C 187 7.185 58.195 15.690 0.00 0.00 -ATOM 560 H1 H2O C 187 8.160 58.288 15.888 0.00 0.00 -ATOM 561 H2 H2O C 187 7.004 57.282 15.325 0.00 0.00 -ATOM 562 O1 H2O C 188 55.559 40.178 33.337 0.00 0.00 -ATOM 563 H1 H2O C 188 55.999 39.973 34.211 0.00 0.00 -ATOM 564 H2 H2O C 188 56.255 40.239 32.621 0.00 0.00 -ATOM 565 O1 H2O C 189 13.157 33.721 38.538 0.00 0.00 -ATOM 566 H1 H2O C 189 13.045 34.038 37.596 0.00 0.00 -ATOM 567 H2 H2O C 189 13.345 32.739 38.539 0.00 0.00 -ATOM 568 O1 H2O C 190 43.909 17.407 26.421 0.00 0.00 -ATOM 569 H1 H2O C 190 44.313 18.118 26.997 0.00 0.00 -ATOM 570 H2 H2O C 190 43.979 17.676 25.460 0.00 0.00 -ATOM 571 O1 H2O C 191 46.202 56.415 21.299 0.00 0.00 -ATOM 572 H1 H2O C 191 46.063 56.515 20.314 0.00 0.00 -ATOM 573 H2 H2O C 191 47.182 56.403 21.497 0.00 0.00 -ATOM 574 O1 H2O C 192 42.292 23.639 30.069 0.00 0.00 -ATOM 575 H1 H2O C 192 42.892 24.431 29.959 0.00 0.00 -ATOM 576 H2 H2O C 192 42.431 23.238 30.974 0.00 0.00 -ATOM 577 O1 H2O C 193 49.295 38.037 12.593 0.00 0.00 -ATOM 578 H1 H2O C 193 49.200 38.649 13.379 0.00 0.00 -ATOM 579 H2 H2O C 193 49.138 38.553 11.750 0.00 0.00 -ATOM 580 O1 H2O C 194 8.934 59.357 43.843 0.00 0.00 -ATOM 581 H1 H2O C 194 8.343 59.708 44.570 0.00 0.00 -ATOM 582 H2 H2O C 194 9.132 60.089 43.192 0.00 0.00 -ATOM 583 O1 H2O C 195 33.730 56.182 58.544 0.00 0.00 -ATOM 584 H1 H2O C 195 33.204 55.754 59.279 0.00 0.00 -ATOM 585 H2 H2O C 195 33.959 55.495 57.855 0.00 0.00 -ATOM 586 O1 H2O C 196 59.483 43.811 56.260 0.00 0.00 -ATOM 587 H1 H2O C 196 58.624 43.924 55.759 0.00 0.00 -ATOM 588 H2 H2O C 196 59.874 44.710 56.456 0.00 0.00 -ATOM 589 O1 H2O C 197 16.079 44.948 48.291 0.00 0.00 -ATOM 590 H1 H2O C 197 16.898 45.309 47.846 0.00 0.00 -ATOM 591 H2 H2O C 197 16.215 44.940 49.282 0.00 0.00 -ATOM 592 O1 H2O C 198 13.917 59.199 1.432 0.00 0.00 -ATOM 593 H1 H2O C 198 13.413 59.948 1.002 0.00 0.00 -ATOM 594 H2 H2O C 198 14.895 59.407 1.422 0.00 0.00 -ATOM 595 O1 H2O C 199 56.614 42.706 52.066 0.00 0.00 -ATOM 596 H1 H2O C 199 57.350 42.590 51.400 0.00 0.00 -ATOM 597 H2 H2O C 199 55.779 42.991 51.595 0.00 0.00 -ATOM 598 O1 H2O C 200 14.770 59.848 44.392 0.00 0.00 -ATOM 599 H1 H2O C 200 14.241 60.696 44.391 0.00 0.00 -ATOM 600 H2 H2O C 200 14.148 59.067 44.339 0.00 0.00 -ATOM 601 O1 H2O C 201 12.351 53.968 20.365 0.00 0.00 -ATOM 602 H1 H2O C 201 12.124 53.313 19.644 0.00 0.00 -ATOM 603 H2 H2O C 201 11.509 54.338 20.757 0.00 0.00 -ATOM 604 O1 H2O C 202 16.736 47.149 38.004 0.00 0.00 -ATOM 605 H1 H2O C 202 17.558 47.476 37.537 0.00 0.00 -ATOM 606 H2 H2O C 202 16.331 47.898 38.528 0.00 0.00 -ATOM 607 O1 H2O C 203 8.518 59.364 48.485 0.00 0.00 -ATOM 608 H1 H2O C 203 7.739 59.967 48.660 0.00 0.00 -ATOM 609 H2 H2O C 203 8.444 58.549 49.060 0.00 0.00 -ATOM 610 O1 H2O C 204 19.237 46.566 27.700 0.00 0.00 -ATOM 611 H1 H2O C 204 20.180 46.349 27.448 0.00 0.00 -ATOM 612 H2 H2O C 204 19.236 47.238 28.440 0.00 0.00 -ATOM 613 O1 H2O C 205 22.479 7.002 5.397 0.00 0.00 -ATOM 614 H1 H2O C 205 22.613 7.450 4.513 0.00 0.00 -ATOM 615 H2 H2O C 205 23.198 6.322 5.538 0.00 0.00 -ATOM 616 O1 H2O C 206 20.210 57.404 30.988 0.00 0.00 -ATOM 617 H1 H2O C 206 20.377 56.453 30.730 0.00 0.00 -ATOM 618 H2 H2O C 206 19.951 57.928 30.177 0.00 0.00 -ATOM 619 O1 H2O C 207 3.488 20.491 8.054 0.00 0.00 -ATOM 620 H1 H2O C 207 3.512 21.487 7.959 0.00 0.00 -ATOM 621 H2 H2O C 207 3.632 20.244 9.012 0.00 0.00 -ATOM 622 O1 H2O C 208 0.122 56.655 11.863 0.00 0.00 -ATOM 623 H1 H2O C 208 -0.532 57.352 12.158 0.00 0.00 -ATOM 624 H2 H2O C 208 0.886 56.621 12.507 0.00 0.00 -ATOM 625 O1 H2O C 209 38.683 13.241 11.304 0.00 0.00 -ATOM 626 H1 H2O C 209 37.715 13.246 11.051 0.00 0.00 -ATOM 627 H2 H2O C 209 38.813 12.664 12.111 0.00 0.00 -ATOM 628 O1 H2O C 210 4.278 19.118 9.374 0.00 0.00 -ATOM 629 H1 H2O C 210 4.729 18.353 8.913 0.00 0.00 -ATOM 630 H2 H2O C 210 3.450 19.367 8.873 0.00 0.00 -ATOM 631 O1 H2O C 211 16.085 56.774 8.822 0.00 0.00 -ATOM 632 H1 H2O C 211 15.713 57.693 8.952 0.00 0.00 -ATOM 633 H2 H2O C 211 16.702 56.772 8.035 0.00 0.00 -ATOM 634 O1 H2O C 212 16.105 6.090 51.994 0.00 0.00 -ATOM 635 H1 H2O C 212 15.223 5.678 52.222 0.00 0.00 -ATOM 636 H2 H2O C 212 16.536 6.437 52.827 0.00 0.00 -ATOM 637 O1 H2O C 213 8.151 39.797 13.665 0.00 0.00 -ATOM 638 H1 H2O C 213 8.694 39.091 14.121 0.00 0.00 -ATOM 639 H2 H2O C 213 8.205 39.672 12.675 0.00 0.00 -ATOM 640 O1 H2O C 214 46.843 17.663 3.232 0.00 0.00 -ATOM 641 H1 H2O C 214 46.978 18.486 3.784 0.00 0.00 -ATOM 642 H2 H2O C 214 46.170 17.849 2.516 0.00 0.00 -ATOM 643 O1 H2O C 215 59.355 24.028 29.981 0.00 0.00 -ATOM 644 H1 H2O C 215 59.727 23.945 29.057 0.00 0.00 -ATOM 645 H2 H2O C 215 58.583 23.403 30.088 0.00 0.00 -ATOM 646 O1 H2O C 216 5.122 49.074 47.817 0.00 0.00 -ATOM 647 H1 H2O C 216 4.619 48.284 48.166 0.00 0.00 -ATOM 648 H2 H2O C 216 6.070 49.031 48.130 0.00 0.00 -ATOM 649 O1 H2O C 217 23.904 15.887 2.144 0.00 0.00 -ATOM 650 H1 H2O C 217 24.039 16.833 2.437 0.00 0.00 -ATOM 651 H2 H2O C 217 23.222 15.450 2.729 0.00 0.00 -ATOM 652 O1 H2O C 218 54.361 39.233 27.157 0.00 0.00 -ATOM 653 H1 H2O C 218 54.277 39.787 27.985 0.00 0.00 -ATOM 654 H2 H2O C 218 54.969 38.459 27.334 0.00 0.00 -ATOM 655 O1 H2O C 219 8.532 49.630 51.132 0.00 0.00 -ATOM 656 H1 H2O C 219 8.764 50.123 50.293 0.00 0.00 -ATOM 657 H2 H2O C 219 9.073 48.790 51.185 0.00 0.00 -ATOM 658 O1 H2O C 220 5.643 24.325 19.370 0.00 0.00 -ATOM 659 H1 H2O C 220 5.852 23.380 19.118 0.00 0.00 -ATOM 660 H2 H2O C 220 4.655 24.472 19.326 0.00 0.00 -ATOM 661 O1 H2O C 221 48.520 31.404 22.688 0.00 0.00 -ATOM 662 H1 H2O C 221 48.869 31.517 21.758 0.00 0.00 -ATOM 663 H2 H2O C 221 48.408 30.430 22.886 0.00 0.00 -ATOM 664 O1 H2O C 222 56.798 33.951 57.453 0.00 0.00 -ATOM 665 H1 H2O C 222 57.774 34.166 57.434 0.00 0.00 -ATOM 666 H2 H2O C 222 56.659 33.008 57.150 0.00 0.00 -ATOM 667 O1 H2O C 223 17.661 30.178 54.849 0.00 0.00 -ATOM 668 H1 H2O C 223 18.419 29.972 54.229 0.00 0.00 -ATOM 669 H2 H2O C 223 17.079 29.370 54.941 0.00 0.00 -ATOM 670 O1 H2O C 224 26.832 35.663 6.619 0.00 0.00 -ATOM 671 H1 H2O C 224 27.161 35.993 7.504 0.00 0.00 -ATOM 672 H2 H2O C 224 27.253 36.197 5.887 0.00 0.00 -ATOM 673 O1 H2O C 225 37.542 28.726 23.762 0.00 0.00 -ATOM 674 H1 H2O C 225 36.675 29.225 23.791 0.00 0.00 -ATOM 675 H2 H2O C 225 38.279 29.322 24.083 0.00 0.00 -ATOM 676 O1 H2O C 226 15.711 29.245 42.739 0.00 0.00 -ATOM 677 H1 H2O C 226 15.192 30.090 42.606 0.00 0.00 -ATOM 678 H2 H2O C 226 15.374 28.772 43.553 0.00 0.00 -ATOM 679 O1 H2O C 227 50.276 6.822 51.857 0.00 0.00 -ATOM 680 H1 H2O C 227 50.380 5.828 51.900 0.00 0.00 -ATOM 681 H2 H2O C 227 49.417 7.047 51.395 0.00 0.00 -ATOM 682 O1 H2O C 228 19.780 12.408 18.032 0.00 0.00 -ATOM 683 H1 H2O C 228 20.604 12.784 17.608 0.00 0.00 -ATOM 684 H2 H2O C 228 19.301 11.828 17.373 0.00 0.00 -ATOM 685 O1 H2O C 229 7.308 36.869 40.808 0.00 0.00 -ATOM 686 H1 H2O C 229 6.828 36.572 39.983 0.00 0.00 -ATOM 687 H2 H2O C 229 8.070 37.464 40.555 0.00 0.00 -ATOM 688 O1 H2O C 230 39.378 20.989 48.006 0.00 0.00 -ATOM 689 H1 H2O C 230 40.079 21.624 48.331 0.00 0.00 -ATOM 690 H2 H2O C 230 38.551 21.499 47.769 0.00 0.00 -ATOM 691 O1 H2O C 231 54.253 18.842 40.466 0.00 0.00 -ATOM 692 H1 H2O C 231 55.219 18.651 40.644 0.00 0.00 -ATOM 693 H2 H2O C 231 54.060 19.802 40.668 0.00 0.00 -ATOM 694 O1 H2O C 232 49.686 33.718 24.558 0.00 0.00 -ATOM 695 H1 H2O C 232 49.011 33.959 23.861 0.00 0.00 -ATOM 696 H2 H2O C 232 49.358 34.011 25.456 0.00 0.00 -ATOM 697 O1 H2O C 233 39.901 34.415 41.938 0.00 0.00 -ATOM 698 H1 H2O C 233 39.428 35.255 42.206 0.00 0.00 -ATOM 699 H2 H2O C 233 39.729 34.230 40.970 0.00 0.00 -ATOM 700 O1 H2O C 234 53.202 53.915 16.817 0.00 0.00 -ATOM 701 H1 H2O C 234 53.522 53.036 17.171 0.00 0.00 -ATOM 702 H2 H2O C 234 53.837 54.637 17.093 0.00 0.00 -ATOM 703 O1 H2O C 235 22.559 29.402 0.516 0.00 0.00 -ATOM 704 H1 H2O C 235 21.743 29.139 -0.000 0.00 0.00 -ATOM 705 H2 H2O C 235 22.300 30.038 1.245 0.00 0.00 -ATOM 706 O1 H2O C 236 31.484 12.976 33.562 0.00 0.00 -ATOM 707 H1 H2O C 236 32.236 13.600 33.776 0.00 0.00 -ATOM 708 H2 H2O C 236 31.849 12.153 33.125 0.00 0.00 -ATOM 709 O1 H2O C 237 7.665 8.715 26.625 0.00 0.00 -ATOM 710 H1 H2O C 237 7.418 8.082 27.359 0.00 0.00 -ATOM 711 H2 H2O C 237 8.560 9.118 26.820 0.00 0.00 -ATOM 712 O1 H2O C 238 38.590 6.275 24.635 0.00 0.00 -ATOM 713 H1 H2O C 238 39.235 5.535 24.445 0.00 0.00 -ATOM 714 H2 H2O C 238 39.086 7.066 24.994 0.00 0.00 -ATOM 715 O1 H2O C 239 23.127 49.818 32.570 0.00 0.00 -ATOM 716 H1 H2O C 239 22.300 49.700 33.120 0.00 0.00 -ATOM 717 H2 H2O C 239 22.982 50.546 31.900 0.00 0.00 -ATOM 718 O1 H2O C 240 56.202 55.905 13.176 0.00 0.00 -ATOM 719 H1 H2O C 240 55.751 55.751 12.297 0.00 0.00 -ATOM 720 H2 H2O C 240 57.169 55.661 13.102 0.00 0.00 -ATOM 721 O1 H2O C 241 31.882 48.821 35.990 0.00 0.00 -ATOM 722 H1 H2O C 241 31.119 49.246 35.501 0.00 0.00 -ATOM 723 H2 H2O C 241 32.673 49.431 35.967 0.00 0.00 -ATOM 724 O1 H2O C 242 44.124 18.353 39.060 0.00 0.00 -ATOM 725 H1 H2O C 242 43.856 18.127 39.997 0.00 0.00 -ATOM 726 H2 H2O C 242 43.533 17.864 38.418 0.00 0.00 -ATOM 727 O1 H2O C 243 51.479 36.787 35.796 0.00 0.00 -ATOM 728 H1 H2O C 243 50.835 36.875 35.035 0.00 0.00 -ATOM 729 H2 H2O C 243 51.036 36.306 36.553 0.00 0.00 -ATOM 730 O1 H2O C 244 26.633 0.892 0.557 0.00 0.00 -ATOM 731 H1 H2O C 244 27.297 0.881 1.304 0.00 0.00 -ATOM 732 H2 H2O C 244 27.046 1.317 -0.249 0.00 0.00 -ATOM 733 O1 H2O C 245 2.851 7.537 14.717 0.00 0.00 -ATOM 734 H1 H2O C 245 2.156 7.639 15.428 0.00 0.00 -ATOM 735 H2 H2O C 245 3.642 7.053 15.091 0.00 0.00 -ATOM 736 O1 H2O C 246 41.009 54.217 47.815 0.00 0.00 -ATOM 737 H1 H2O C 246 40.834 53.280 47.511 0.00 0.00 -ATOM 738 H2 H2O C 246 40.552 54.374 48.690 0.00 0.00 -ATOM 739 O1 H2O C 247 45.101 56.064 57.780 0.00 0.00 -ATOM 740 H1 H2O C 247 45.165 55.750 58.728 0.00 0.00 -ATOM 741 H2 H2O C 247 44.991 55.276 57.175 0.00 0.00 -ATOM 742 O1 H2O C 248 43.457 57.189 26.691 0.00 0.00 -ATOM 743 H1 H2O C 248 42.626 57.744 26.732 0.00 0.00 -ATOM 744 H2 H2O C 248 43.969 57.291 27.544 0.00 0.00 -ATOM 745 O1 H2O C 249 6.041 6.482 9.558 0.00 0.00 -ATOM 746 H1 H2O C 249 5.130 6.624 9.947 0.00 0.00 -ATOM 747 H2 H2O C 249 5.982 6.492 8.559 0.00 0.00 -ATOM 748 O1 H2O C 250 13.597 52.427 22.587 0.00 0.00 -ATOM 749 H1 H2O C 250 12.992 52.398 23.382 0.00 0.00 -ATOM 750 H2 H2O C 250 14.316 53.105 22.739 0.00 0.00 -ATOM 751 O1 H2O C 251 59.638 48.822 9.107 0.00 0.00 -ATOM 752 H1 H2O C 251 59.462 48.003 9.653 0.00 0.00 -ATOM 753 H2 H2O C 251 59.736 48.567 8.145 0.00 0.00 -ATOM 754 O1 H2O C 252 38.118 12.823 25.112 0.00 0.00 -ATOM 755 H1 H2O C 252 38.814 13.272 25.671 0.00 0.00 -ATOM 756 H2 H2O C 252 37.211 13.134 25.395 0.00 0.00 -ATOM 757 O1 H2O C 253 32.958 42.450 13.732 0.00 0.00 -ATOM 758 H1 H2O C 253 33.840 42.490 14.201 0.00 0.00 -ATOM 759 H2 H2O C 253 32.992 43.018 12.909 0.00 0.00 -ATOM 760 O1 H2O C 254 6.699 23.864 48.625 0.00 0.00 -ATOM 761 H1 H2O C 254 7.693 23.751 48.636 0.00 0.00 -ATOM 762 H2 H2O C 254 6.286 23.124 48.093 0.00 0.00 -ATOM 763 O1 H2O C 255 58.920 52.211 58.839 0.00 0.00 -ATOM 764 H1 H2O C 255 58.525 52.381 59.742 0.00 0.00 -ATOM 765 H2 H2O C 255 59.846 52.587 58.804 0.00 0.00 -ATOM 766 O1 H2O C 256 48.044 37.669 49.460 0.00 0.00 -ATOM 767 H1 H2O C 256 48.560 38.429 49.856 0.00 0.00 -ATOM 768 H2 H2O C 256 47.684 37.939 48.567 0.00 0.00 -ATOM 769 O1 H2O C 257 16.648 58.368 57.877 0.00 0.00 -ATOM 770 H1 H2O C 257 16.091 59.185 58.026 0.00 0.00 -ATOM 771 H2 H2O C 257 16.190 57.575 58.278 0.00 0.00 -ATOM 772 O1 H2O C 258 43.436 28.382 44.340 0.00 0.00 -ATOM 773 H1 H2O C 258 44.376 28.044 44.296 0.00 0.00 -ATOM 774 H2 H2O C 258 42.819 27.626 44.559 0.00 0.00 -ATOM 775 O1 H2O C 259 1.709 10.620 34.718 0.00 0.00 -ATOM 776 H1 H2O C 259 1.488 10.998 35.617 0.00 0.00 -ATOM 777 H2 H2O C 259 2.663 10.822 34.498 0.00 0.00 -ATOM 778 O1 H2O C 260 42.609 23.064 19.257 0.00 0.00 -ATOM 779 H1 H2O C 260 43.105 22.411 18.684 0.00 0.00 -ATOM 780 H2 H2O C 260 42.913 22.972 20.206 0.00 0.00 -ATOM 781 O1 H2O C 261 34.748 48.680 12.774 0.00 0.00 -ATOM 782 H1 H2O C 261 34.824 47.851 12.220 0.00 0.00 -ATOM 783 H2 H2O C 261 34.139 48.509 13.549 0.00 0.00 -ATOM 784 O1 H2O C 262 20.845 23.492 46.022 0.00 0.00 -ATOM 785 H1 H2O C 262 21.336 24.347 45.853 0.00 0.00 -ATOM 786 H2 H2O C 262 20.167 23.349 45.300 0.00 0.00 -ATOM 787 O1 H2O C 263 8.545 30.049 8.768 0.00 0.00 -ATOM 788 H1 H2O C 263 8.262 30.293 7.841 0.00 0.00 -ATOM 789 H2 H2O C 263 7.766 29.667 9.265 0.00 0.00 -ATOM 790 O1 H2O C 264 46.672 44.762 56.807 0.00 0.00 -ATOM 791 H1 H2O C 264 47.592 44.791 57.198 0.00 0.00 -ATOM 792 H2 H2O C 264 45.996 44.792 57.542 0.00 0.00 -ATOM 793 O1 H2O C 265 35.297 41.144 36.629 0.00 0.00 -ATOM 794 H1 H2O C 265 35.157 40.161 36.517 0.00 0.00 -ATOM 795 H2 H2O C 265 34.536 41.639 36.209 0.00 0.00 -ATOM 796 O1 H2O C 266 26.606 10.656 19.846 0.00 0.00 -ATOM 797 H1 H2O C 266 27.045 11.153 19.098 0.00 0.00 -ATOM 798 H2 H2O C 266 25.854 11.203 20.214 0.00 0.00 -ATOM 799 O1 H2O C 267 29.052 58.050 3.161 0.00 0.00 -ATOM 800 H1 H2O C 267 29.026 58.639 3.969 0.00 0.00 -ATOM 801 H2 H2O C 267 28.586 57.188 3.362 0.00 0.00 -ATOM 802 O1 H2O C 268 35.428 2.068 32.763 0.00 0.00 -ATOM 803 H1 H2O C 268 35.753 2.720 33.448 0.00 0.00 -ATOM 804 H2 H2O C 268 35.711 2.372 31.853 0.00 0.00 -ATOM 805 O1 H2O C 269 32.519 56.105 31.478 0.00 0.00 -ATOM 806 H1 H2O C 269 32.581 57.088 31.650 0.00 0.00 -ATOM 807 H2 H2O C 269 31.605 55.781 31.723 0.00 0.00 -ATOM 808 O1 H2O C 270 45.405 51.419 45.540 0.00 0.00 -ATOM 809 H1 H2O C 270 44.753 50.857 45.031 0.00 0.00 -ATOM 810 H2 H2O C 270 46.243 50.896 45.698 0.00 0.00 -ATOM 811 O1 H2O C 271 1.785 22.024 52.466 0.00 0.00 -ATOM 812 H1 H2O C 271 2.443 22.434 53.097 0.00 0.00 -ATOM 813 H2 H2O C 271 1.469 22.717 51.818 0.00 0.00 -ATOM 814 O1 H2O C 272 2.314 10.950 30.733 0.00 0.00 -ATOM 815 H1 H2O C 272 1.346 11.172 30.854 0.00 0.00 -ATOM 816 H2 H2O C 272 2.551 11.011 29.763 0.00 0.00 -ATOM 817 O1 H2O C 273 27.228 51.283 30.201 0.00 0.00 -ATOM 818 H1 H2O C 273 27.047 52.251 30.029 0.00 0.00 -ATOM 819 H2 H2O C 273 27.488 50.835 29.346 0.00 0.00 -ATOM 820 O1 H2O C 274 17.291 10.477 58.592 0.00 0.00 -ATOM 821 H1 H2O C 274 17.839 9.702 58.904 0.00 0.00 -ATOM 822 H2 H2O C 274 16.838 10.240 57.733 0.00 0.00 -ATOM 823 O1 H2O C 275 57.906 10.536 24.105 0.00 0.00 -ATOM 824 H1 H2O C 275 57.248 10.011 23.563 0.00 0.00 -ATOM 825 H2 H2O C 275 58.006 11.450 23.711 0.00 0.00 -ATOM 826 O1 H2O C 276 9.779 9.823 14.717 0.00 0.00 -ATOM 827 H1 H2O C 276 9.994 10.554 14.070 0.00 0.00 -ATOM 828 H2 H2O C 276 9.856 10.171 15.651 0.00 0.00 -ATOM 829 O1 H2O C 277 27.807 10.244 40.232 0.00 0.00 -ATOM 830 H1 H2O C 277 27.371 10.591 41.062 0.00 0.00 -ATOM 831 H2 H2O C 277 27.983 9.264 40.333 0.00 0.00 -ATOM 832 O1 H2O C 278 27.058 30.511 48.923 0.00 0.00 -ATOM 833 H1 H2O C 278 27.202 31.495 48.809 0.00 0.00 -ATOM 834 H2 H2O C 278 27.360 30.033 48.098 0.00 0.00 -ATOM 835 O1 H2O C 279 34.781 17.386 18.192 0.00 0.00 -ATOM 836 H1 H2O C 279 34.028 16.995 17.662 0.00 0.00 -ATOM 837 H2 H2O C 279 34.532 17.404 19.161 0.00 0.00 -ATOM 838 O1 H2O C 280 43.643 41.501 25.039 0.00 0.00 -ATOM 839 H1 H2O C 280 43.966 40.584 24.805 0.00 0.00 -ATOM 840 H2 H2O C 280 43.458 42.014 24.201 0.00 0.00 -ATOM 841 O1 H2O C 281 22.889 50.710 6.251 0.00 0.00 -ATOM 842 H1 H2O C 281 23.742 51.104 6.594 0.00 0.00 -ATOM 843 H2 H2O C 281 22.655 49.901 6.791 0.00 0.00 -ATOM 844 O1 H2O C 282 27.099 23.056 29.540 0.00 0.00 -ATOM 845 H1 H2O C 282 26.733 23.959 29.766 0.00 0.00 -ATOM 846 H2 H2O C 282 26.439 22.353 29.805 0.00 0.00 -ATOM 847 O1 H2O C 283 29.663 3.377 17.499 0.00 0.00 -ATOM 848 H1 H2O C 283 30.196 2.531 17.514 0.00 0.00 -ATOM 849 H2 H2O C 283 30.154 4.088 18.003 0.00 0.00 -ATOM 850 O1 H2O C 284 4.665 37.497 8.462 0.00 0.00 -ATOM 851 H1 H2O C 284 5.298 37.397 9.230 0.00 0.00 -ATOM 852 H2 H2O C 284 4.710 38.432 8.112 0.00 0.00 -ATOM 853 O1 H2O C 285 27.512 59.978 49.754 0.00 0.00 -ATOM 854 H1 H2O C 285 27.435 58.989 49.876 0.00 0.00 -ATOM 855 H2 H2O C 285 28.205 60.176 49.060 0.00 0.00 -ATOM 856 O1 H2O C 286 11.150 8.979 19.978 0.00 0.00 -ATOM 857 H1 H2O C 286 11.647 9.845 19.917 0.00 0.00 -ATOM 858 H2 H2O C 286 11.715 8.244 19.601 0.00 0.00 -ATOM 859 O1 H2O C 287 43.365 19.771 5.853 0.00 0.00 -ATOM 860 H1 H2O C 287 42.741 19.164 6.345 0.00 0.00 -ATOM 861 H2 H2O C 287 43.528 19.408 4.936 0.00 0.00 -ATOM 862 O1 H2O C 288 7.068 11.251 59.680 0.00 0.00 -ATOM 863 H1 H2O C 288 6.068 11.223 59.682 0.00 0.00 -ATOM 864 H2 H2O C 288 7.404 11.106 58.750 0.00 0.00 -ATOM 865 O1 H2O C 289 18.867 6.550 57.402 0.00 0.00 -ATOM 866 H1 H2O C 289 18.096 6.966 56.921 0.00 0.00 -ATOM 867 H2 H2O C 289 18.579 5.681 57.804 0.00 0.00 -ATOM 868 O1 H2O C 290 31.926 28.814 1.584 0.00 0.00 -ATOM 869 H1 H2O C 290 31.565 29.639 2.019 0.00 0.00 -ATOM 870 H2 H2O C 290 31.826 28.891 0.592 0.00 0.00 -ATOM 871 O1 H2O C 291 28.359 14.682 55.950 0.00 0.00 -ATOM 872 H1 H2O C 291 28.961 15.401 55.601 0.00 0.00 -ATOM 873 H2 H2O C 291 28.421 14.650 56.947 0.00 0.00 -ATOM 874 O1 H2O C 292 25.061 52.658 23.064 0.00 0.00 -ATOM 875 H1 H2O C 292 25.311 51.867 22.506 0.00 0.00 -ATOM 876 H2 H2O C 292 24.091 52.606 23.300 0.00 0.00 -ATOM 877 O1 H2O C 293 13.976 24.597 3.923 0.00 0.00 -ATOM 878 H1 H2O C 293 13.036 24.352 4.161 0.00 0.00 -ATOM 879 H2 H2O C 293 14.401 25.074 4.692 0.00 0.00 -ATOM 880 O1 H2O C 294 10.404 55.683 37.433 0.00 0.00 -ATOM 881 H1 H2O C 294 10.924 55.230 38.158 0.00 0.00 -ATOM 882 H2 H2O C 294 9.900 54.997 36.908 0.00 0.00 -ATOM 883 O1 H2O C 295 23.509 22.478 7.598 0.00 0.00 -ATOM 884 H1 H2O C 295 23.506 21.789 8.322 0.00 0.00 -ATOM 885 H2 H2O C 295 23.554 22.026 6.707 0.00 0.00 -ATOM 886 O1 H2O C 296 28.219 46.088 27.726 0.00 0.00 -ATOM 887 H1 H2O C 296 28.957 45.689 27.182 0.00 0.00 -ATOM 888 H2 H2O C 296 28.485 46.101 28.689 0.00 0.00 -ATOM 889 O1 H2O C 297 23.887 38.752 44.190 0.00 0.00 -ATOM 890 H1 H2O C 297 23.318 38.872 45.003 0.00 0.00 -ATOM 891 H2 H2O C 297 24.429 37.917 44.282 0.00 0.00 -ATOM 892 O1 H2O C 298 11.205 35.552 22.297 0.00 0.00 -ATOM 893 H1 H2O C 298 11.253 36.536 22.126 0.00 0.00 -ATOM 894 H2 H2O C 298 11.497 35.362 23.234 0.00 0.00 -ATOM 895 O1 H2O C 299 5.904 45.066 7.963 0.00 0.00 -ATOM 896 H1 H2O C 299 6.270 44.170 7.712 0.00 0.00 -ATOM 897 H2 H2O C 299 4.934 45.108 7.724 0.00 0.00 -ATOM 898 O1 H2O C 300 27.892 43.912 0.522 0.00 0.00 -ATOM 899 H1 H2O C 300 27.240 43.777 -0.224 0.00 0.00 -ATOM 900 H2 H2O C 300 28.109 44.885 0.602 0.00 0.00 -ATOM 901 O1 H2O C 301 18.792 13.037 20.090 0.00 0.00 -ATOM 902 H1 H2O C 301 18.093 13.553 20.585 0.00 0.00 -ATOM 903 H2 H2O C 301 19.051 12.230 20.620 0.00 0.00 -ATOM 904 O1 H2O C 302 27.946 11.327 41.955 0.00 0.00 -ATOM 905 H1 H2O C 302 28.155 12.294 42.101 0.00 0.00 -ATOM 906 H2 H2O C 302 27.106 11.245 41.419 0.00 0.00 -ATOM 907 O1 H2O C 303 49.934 51.747 20.245 0.00 0.00 -ATOM 908 H1 H2O C 303 49.033 51.602 20.654 0.00 0.00 -ATOM 909 H2 H2O C 303 49.838 52.288 19.410 0.00 0.00 -ATOM 910 O1 H2O C 304 24.473 21.401 53.625 0.00 0.00 -ATOM 911 H1 H2O C 304 23.657 21.500 53.055 0.00 0.00 -ATOM 912 H2 H2O C 304 24.769 22.302 53.942 0.00 0.00 -ATOM 913 O1 H2O C 305 7.543 30.842 55.304 0.00 0.00 -ATOM 914 H1 H2O C 305 7.269 31.764 55.581 0.00 0.00 -ATOM 915 H2 H2O C 305 8.063 30.891 54.451 0.00 0.00 -ATOM 916 O1 H2O C 306 38.469 45.608 7.978 0.00 0.00 -ATOM 917 H1 H2O C 306 38.973 46.162 7.316 0.00 0.00 -ATOM 918 H2 H2O C 306 37.597 46.051 8.188 0.00 0.00 -ATOM 919 O1 H2O C 307 48.667 11.825 11.673 0.00 0.00 -ATOM 920 H1 H2O C 307 49.255 11.046 11.892 0.00 0.00 -ATOM 921 H2 H2O C 307 47.798 11.733 12.161 0.00 0.00 -ATOM 922 O1 H2O C 308 46.974 51.354 42.005 0.00 0.00 -ATOM 923 H1 H2O C 308 47.580 51.197 42.785 0.00 0.00 -ATOM 924 H2 H2O C 308 47.011 50.567 41.390 0.00 0.00 -ATOM 925 O1 H2O C 309 16.603 25.890 12.394 0.00 0.00 -ATOM 926 H1 H2O C 309 15.939 25.374 11.853 0.00 0.00 -ATOM 927 H2 H2O C 309 17.146 26.472 11.789 0.00 0.00 -ATOM 928 O1 H2O C 310 38.411 55.465 40.883 0.00 0.00 -ATOM 929 H1 H2O C 310 38.566 54.715 40.240 0.00 0.00 -ATOM 930 H2 H2O C 310 37.432 55.549 41.068 0.00 0.00 -ATOM 931 O1 H2O C 311 50.496 43.288 28.271 0.00 0.00 -ATOM 932 H1 H2O C 311 49.613 42.834 28.151 0.00 0.00 -ATOM 933 H2 H2O C 311 50.901 43.005 29.140 0.00 0.00 -ATOM 934 O1 H2O C 312 8.212 22.738 50.853 0.00 0.00 -ATOM 935 H1 H2O C 312 8.932 23.432 50.853 0.00 0.00 -ATOM 936 H2 H2O C 312 8.592 21.864 51.157 0.00 0.00 -ATOM 937 O1 H2O C 313 2.157 53.624 4.867 0.00 0.00 -ATOM 938 H1 H2O C 313 1.218 53.943 4.744 0.00 0.00 -ATOM 939 H2 H2O C 313 2.194 52.634 4.735 0.00 0.00 -ATOM 940 O1 H2O C 314 43.029 35.916 59.490 0.00 0.00 -ATOM 941 H1 H2O C 314 43.403 35.001 59.335 0.00 0.00 -ATOM 942 H2 H2O C 314 43.779 36.566 59.616 0.00 0.00 -ATOM 943 O1 H2O C 315 47.622 32.070 57.871 0.00 0.00 -ATOM 944 H1 H2O C 315 48.029 31.342 58.422 0.00 0.00 -ATOM 945 H2 H2O C 315 48.199 32.886 57.918 0.00 0.00 -ATOM 946 O1 H2O C 316 39.390 13.544 -0.364 0.00 0.00 -ATOM 947 H1 H2O C 316 39.586 14.167 0.394 0.00 0.00 -ATOM 948 H2 H2O C 316 38.962 12.713 -0.009 0.00 0.00 -ATOM 949 O1 H2O C 317 39.100 35.194 47.358 0.00 0.00 -ATOM 950 H1 H2O C 317 38.742 34.585 46.651 0.00 0.00 -ATOM 951 H2 H2O C 317 38.837 36.136 47.150 0.00 0.00 -ATOM 952 O1 H2O C 318 11.910 29.184 2.107 0.00 0.00 -ATOM 953 H1 H2O C 318 11.226 28.686 1.575 0.00 0.00 -ATOM 954 H2 H2O C 318 12.107 28.682 2.950 0.00 0.00 -ATOM 955 O1 H2O C 319 42.262 31.767 41.660 0.00 0.00 -ATOM 956 H1 H2O C 319 42.904 31.008 41.770 0.00 0.00 -ATOM 957 H2 H2O C 319 41.372 31.508 42.034 0.00 0.00 -ATOM 958 O1 H2O C 320 43.766 51.813 38.159 0.00 0.00 -ATOM 959 H1 H2O C 320 43.950 52.758 38.429 0.00 0.00 -ATOM 960 H2 H2O C 320 42.941 51.488 38.621 0.00 0.00 -ATOM 961 O1 H2O C 321 42.190 23.175 23.440 0.00 0.00 -ATOM 962 H1 H2O C 321 42.934 23.537 22.880 0.00 0.00 -ATOM 963 H2 H2O C 321 42.264 22.179 23.490 0.00 0.00 -ATOM 964 O1 H2O C 322 35.846 55.377 59.647 0.00 0.00 -ATOM 965 H1 H2O C 322 35.775 56.374 59.682 0.00 0.00 -ATOM 966 H2 H2O C 322 35.797 55.006 60.574 0.00 0.00 -ATOM 967 O1 H2O C 323 3.373 50.872 13.861 0.00 0.00 -ATOM 968 H1 H2O C 323 3.779 51.238 14.700 0.00 0.00 -ATOM 969 H2 H2O C 323 3.715 51.386 13.074 0.00 0.00 -ATOM 970 O1 H2O C 324 38.104 40.035 41.196 0.00 0.00 -ATOM 971 H1 H2O C 324 38.063 39.303 40.515 0.00 0.00 -ATOM 972 H2 H2O C 324 37.860 39.668 42.094 0.00 0.00 -ATOM 973 O1 H2O C 325 15.803 18.341 52.136 0.00 0.00 -ATOM 974 H1 H2O C 325 16.662 18.852 52.163 0.00 0.00 -ATOM 975 H2 H2O C 325 15.039 18.964 52.300 0.00 0.00 -ATOM 976 O1 H2O C 326 37.675 30.719 0.832 0.00 0.00 -ATOM 977 H1 H2O C 326 37.421 30.771 1.797 0.00 0.00 -ATOM 978 H2 H2O C 326 38.669 30.639 0.753 0.00 0.00 -ATOM 979 O1 H2O C 327 29.710 13.395 32.273 0.00 0.00 -ATOM 980 H1 H2O C 327 29.208 12.708 31.747 0.00 0.00 -ATOM 981 H2 H2O C 327 29.083 14.119 32.561 0.00 0.00 -ATOM 982 O1 H2O C 328 14.508 51.709 19.508 0.00 0.00 -ATOM 983 H1 H2O C 328 14.920 52.147 18.709 0.00 0.00 -ATOM 984 H2 H2O C 328 13.796 51.073 19.209 0.00 0.00 -ATOM 985 O1 H2O C 329 23.335 7.161 55.260 0.00 0.00 -ATOM 986 H1 H2O C 329 23.988 7.918 55.297 0.00 0.00 -ATOM 987 H2 H2O C 329 22.691 7.313 54.510 0.00 0.00 -ATOM 988 O1 H2O C 330 30.868 19.526 31.653 0.00 0.00 -ATOM 989 H1 H2O C 330 30.206 20.079 31.147 0.00 0.00 -ATOM 990 H2 H2O C 330 30.586 18.567 31.633 0.00 0.00 -ATOM 991 O1 H2O C 331 54.970 22.339 50.549 0.00 0.00 -ATOM 992 H1 H2O C 331 54.372 22.804 49.896 0.00 0.00 -ATOM 993 H2 H2O C 331 54.645 22.510 51.479 0.00 0.00 -ATOM 994 O1 H2O C 332 27.442 53.875 34.547 0.00 0.00 -ATOM 995 H1 H2O C 332 27.556 53.722 33.565 0.00 0.00 -ATOM 996 H2 H2O C 332 26.534 54.256 34.722 0.00 0.00 -ATOM 997 O1 H2O C 333 40.289 23.262 29.711 0.00 0.00 -ATOM 998 H1 H2O C 333 40.195 23.452 28.733 0.00 0.00 -ATOM 999 H2 H2O C 333 40.889 23.945 30.127 0.00 0.00 -ATOM 1000 O1 H2O C 334 21.875 25.477 7.004 0.00 0.00 -ATOM 1001 H1 H2O C 334 21.433 25.006 6.241 0.00 0.00 -ATOM 1002 H2 H2O C 334 21.184 25.957 7.546 0.00 0.00 -ATOM 1003 O1 H2O C 335 18.486 9.400 28.360 0.00 0.00 -ATOM 1004 H1 H2O C 335 18.788 8.454 28.481 0.00 0.00 -ATOM 1005 H2 H2O C 335 18.479 9.863 29.247 0.00 0.00 -ATOM 1006 O1 H2O C 336 53.124 42.680 55.361 0.00 0.00 -ATOM 1007 H1 H2O C 336 53.372 41.782 54.997 0.00 0.00 -ATOM 1008 H2 H2O C 336 53.955 43.194 55.572 0.00 0.00 -ATOM 1009 O1 H2O C 337 29.327 21.208 52.005 0.00 0.00 -ATOM 1010 H1 H2O C 337 28.415 21.556 52.221 0.00 0.00 -ATOM 1011 H2 H2O C 337 29.285 20.217 51.881 0.00 0.00 -ATOM 1012 O1 H2O C 338 34.348 10.490 43.499 0.00 0.00 -ATOM 1013 H1 H2O C 338 35.077 10.035 42.989 0.00 0.00 -ATOM 1014 H2 H2O C 338 33.947 11.213 42.936 0.00 0.00 -ATOM 1015 O1 H2O C 339 18.832 25.958 57.536 0.00 0.00 -ATOM 1016 H1 H2O C 339 19.623 25.349 57.490 0.00 0.00 -ATOM 1017 H2 H2O C 339 18.097 25.594 56.964 0.00 0.00 -ATOM 1018 O1 H2O C 340 24.351 12.150 3.258 0.00 0.00 -ATOM 1019 H1 H2O C 340 23.745 12.436 4.001 0.00 0.00 -ATOM 1020 H2 H2O C 340 24.060 11.257 2.915 0.00 0.00 -ATOM 1021 O1 H2O C 341 36.016 27.619 8.497 0.00 0.00 -ATOM 1022 H1 H2O C 341 36.494 27.844 7.648 0.00 0.00 -ATOM 1023 H2 H2O C 341 35.041 27.813 8.393 0.00 0.00 -ATOM 1024 O1 H2O C 342 17.531 1.930 4.556 0.00 0.00 -ATOM 1025 H1 H2O C 342 16.755 2.378 4.110 0.00 0.00 -ATOM 1026 H2 H2O C 342 17.201 1.386 5.329 0.00 0.00 -ATOM 1027 O1 H2O C 343 55.265 5.710 55.063 0.00 0.00 -ATOM 1028 H1 H2O C 343 55.983 5.234 55.571 0.00 0.00 -ATOM 1029 H2 H2O C 343 54.596 6.086 55.705 0.00 0.00 -ATOM 1030 O1 H2O C 344 49.877 3.570 30.551 0.00 0.00 -ATOM 1031 H1 H2O C 344 50.604 3.316 31.187 0.00 0.00 -ATOM 1032 H2 H2O C 344 49.295 2.777 30.374 0.00 0.00 -ATOM 1033 O1 H2O C 345 39.313 12.014 35.630 0.00 0.00 -ATOM 1034 H1 H2O C 345 38.503 12.593 35.724 0.00 0.00 -ATOM 1035 H2 H2O C 345 40.126 12.531 35.897 0.00 0.00 -ATOM 1036 O1 H2O C 346 35.444 54.953 42.790 0.00 0.00 -ATOM 1037 H1 H2O C 346 35.754 54.133 42.307 0.00 0.00 -ATOM 1038 H2 H2O C 346 34.445 54.992 42.774 0.00 0.00 -ATOM 1039 O1 H2O C 347 23.203 59.110 49.646 0.00 0.00 -ATOM 1040 H1 H2O C 347 23.077 59.391 50.598 0.00 0.00 -ATOM 1041 H2 H2O C 347 22.340 58.755 49.287 0.00 0.00 -ATOM 1042 O1 H2O C 348 0.303 45.582 33.623 0.00 0.00 -ATOM 1043 H1 H2O C 348 0.114 46.390 34.182 0.00 0.00 -ATOM 1044 H2 H2O C 348 -0.355 44.862 33.845 0.00 0.00 -ATOM 1045 O1 H2O C 349 9.725 37.978 20.183 0.00 0.00 -ATOM 1046 H1 H2O C 349 9.892 38.613 19.429 0.00 0.00 -ATOM 1047 H2 H2O C 349 8.897 37.449 19.997 0.00 0.00 -ATOM 1048 O1 H2O C 350 43.245 9.975 4.744 0.00 0.00 -ATOM 1049 H1 H2O C 350 42.250 9.889 4.794 0.00 0.00 -ATOM 1050 H2 H2O C 350 43.526 10.046 3.787 0.00 0.00 -ATOM 1051 O1 H2O C 351 38.750 48.067 58.544 0.00 0.00 -ATOM 1052 H1 H2O C 351 38.960 47.165 58.169 0.00 0.00 -ATOM 1053 H2 H2O C 351 38.942 48.767 57.856 0.00 0.00 -ATOM 1054 O1 H2O C 352 26.488 21.700 42.927 0.00 0.00 -ATOM 1055 H1 H2O C 352 26.908 20.876 42.547 0.00 0.00 -ATOM 1056 H2 H2O C 352 27.202 22.306 43.277 0.00 0.00 -ATOM 1057 O1 H2O C 353 42.878 57.346 44.838 0.00 0.00 -ATOM 1058 H1 H2O C 353 43.569 56.718 45.197 0.00 0.00 -ATOM 1059 H2 H2O C 353 42.468 57.858 45.593 0.00 0.00 -ATOM 1060 O1 H2O C 354 1.890 53.375 23.608 0.00 0.00 -ATOM 1061 H1 H2O C 354 2.404 52.626 24.029 0.00 0.00 -ATOM 1062 H2 H2O C 354 1.748 54.100 24.283 0.00 0.00 -ATOM 1063 O1 H2O C 355 46.643 23.424 20.541 0.00 0.00 -ATOM 1064 H1 H2O C 355 46.483 22.478 20.824 0.00 0.00 -ATOM 1065 H2 H2O C 355 47.589 23.677 20.748 0.00 0.00 -ATOM 1066 O1 H2O C 356 2.999 57.234 59.976 0.00 0.00 -ATOM 1067 H1 H2O C 356 2.381 56.803 59.318 0.00 0.00 -ATOM 1068 H2 H2O C 356 3.766 57.652 59.489 0.00 0.00 -ATOM 1069 O1 H2O C 357 20.552 44.488 59.211 0.00 0.00 -ATOM 1070 H1 H2O C 357 21.475 44.444 58.829 0.00 0.00 -ATOM 1071 H2 H2O C 357 20.182 45.408 59.082 0.00 0.00 -ATOM 1072 O1 H2O C 358 2.115 36.811 46.316 0.00 0.00 -ATOM 1073 H1 H2O C 358 3.051 36.582 46.052 0.00 0.00 -ATOM 1074 H2 H2O C 358 2.090 37.047 47.287 0.00 0.00 -ATOM 1075 O1 H2O C 359 6.259 23.843 19.266 0.00 0.00 -ATOM 1076 H1 H2O C 359 5.622 24.576 19.028 0.00 0.00 -ATOM 1077 H2 H2O C 359 6.934 24.187 19.918 0.00 0.00 -ATOM 1078 O1 H2O C 360 7.063 9.203 12.719 0.00 0.00 -ATOM 1079 H1 H2O C 360 6.075 9.129 12.855 0.00 0.00 -ATOM 1080 H2 H2O C 360 7.272 9.138 11.744 0.00 0.00 -ATOM 1081 O1 H2O C 361 45.586 38.647 17.056 0.00 0.00 -ATOM 1082 H1 H2O C 361 45.807 39.277 17.800 0.00 0.00 -ATOM 1083 H2 H2O C 361 46.372 38.055 16.877 0.00 0.00 -ATOM 1084 O1 H2O C 362 34.374 39.869 37.187 0.00 0.00 -ATOM 1085 H1 H2O C 362 33.541 39.850 37.740 0.00 0.00 -ATOM 1086 H2 H2O C 362 34.134 40.007 36.226 0.00 0.00 -ATOM 1087 O1 H2O C 363 11.926 25.985 48.579 0.00 0.00 -ATOM 1088 H1 H2O C 363 11.321 25.189 48.592 0.00 0.00 -ATOM 1089 H2 H2O C 363 12.870 25.688 48.724 0.00 0.00 -ATOM 1090 O1 H2O C 364 45.980 35.593 42.599 0.00 0.00 -ATOM 1091 H1 H2O C 364 46.793 36.129 42.370 0.00 0.00 -ATOM 1092 H2 H2O C 364 46.206 34.619 42.579 0.00 0.00 -ATOM 1093 O1 H2O C 365 49.968 23.952 44.973 0.00 0.00 -ATOM 1094 H1 H2O C 365 49.041 23.975 45.347 0.00 0.00 -ATOM 1095 H2 H2O C 365 50.523 23.306 45.497 0.00 0.00 -ATOM 1096 O1 H2O C 366 22.164 31.408 53.993 0.00 0.00 -ATOM 1097 H1 H2O C 366 22.582 31.715 54.848 0.00 0.00 -ATOM 1098 H2 H2O C 366 22.881 31.156 53.343 0.00 0.00 -ATOM 1099 O1 H2O C 367 59.957 58.171 20.625 0.00 0.00 -ATOM 1100 H1 H2O C 367 59.221 57.517 20.455 0.00 0.00 -ATOM 1101 H2 H2O C 367 59.845 58.962 20.023 0.00 0.00 -ATOM 1102 O1 H2O C 368 28.296 36.108 46.736 0.00 0.00 -ATOM 1103 H1 H2O C 368 27.322 36.063 46.515 0.00 0.00 -ATOM 1104 H2 H2O C 368 28.812 36.360 45.917 0.00 0.00 -ATOM 1105 O1 H2O C 369 21.595 45.702 4.485 0.00 0.00 -ATOM 1106 H1 H2O C 369 21.113 45.161 3.797 0.00 0.00 -ATOM 1107 H2 H2O C 369 21.498 45.268 5.381 0.00 0.00 -ATOM 1108 O1 H2O C 370 9.177 38.794 37.970 0.00 0.00 -ATOM 1109 H1 H2O C 370 9.703 37.959 37.803 0.00 0.00 -ATOM 1110 H2 H2O C 370 8.217 38.633 37.737 0.00 0.00 -ATOM 1111 O1 H2O C 371 43.072 53.323 52.995 0.00 0.00 -ATOM 1112 H1 H2O C 371 42.938 54.276 52.724 0.00 0.00 -ATOM 1113 H2 H2O C 371 43.655 53.286 53.807 0.00 0.00 -ATOM 1114 O1 H2O C 372 15.154 3.218 43.571 0.00 0.00 -ATOM 1115 H1 H2O C 372 15.240 2.235 43.409 0.00 0.00 -ATOM 1116 H2 H2O C 372 14.588 3.626 42.854 0.00 0.00 -ATOM 1117 O1 H2O C 373 20.243 45.973 0.397 0.00 0.00 -ATOM 1118 H1 H2O C 373 19.378 46.192 -0.055 0.00 0.00 -ATOM 1119 H2 H2O C 373 21.004 46.197 -0.212 0.00 0.00 -ATOM 1120 O1 H2O C 374 60.216 21.502 25.817 0.00 0.00 -ATOM 1121 H1 H2O C 374 59.643 20.973 26.442 0.00 0.00 -ATOM 1122 H2 H2O C 374 59.719 22.315 25.515 0.00 0.00 -ATOM 1123 O1 H2O C 375 26.378 37.918 0.848 0.00 0.00 -ATOM 1124 H1 H2O C 375 25.550 38.262 0.406 0.00 0.00 -ATOM 1125 H2 H2O C 375 26.311 36.926 0.956 0.00 0.00 -ATOM 1126 O1 H2O C 376 18.612 15.777 19.333 0.00 0.00 -ATOM 1127 H1 H2O C 376 19.464 15.935 18.834 0.00 0.00 -ATOM 1128 H2 H2O C 376 18.684 14.928 19.857 0.00 0.00 -ATOM 1129 O1 H2O C 377 34.958 15.480 3.945 0.00 0.00 -ATOM 1130 H1 H2O C 377 34.531 16.033 3.229 0.00 0.00 -ATOM 1131 H2 H2O C 377 34.671 15.818 4.842 0.00 0.00 -ATOM 1132 O1 H2O C 378 23.453 3.460 15.063 0.00 0.00 -ATOM 1133 H1 H2O C 378 24.182 4.145 15.063 0.00 0.00 -ATOM 1134 H2 H2O C 378 23.284 3.155 14.125 0.00 0.00 -ATOM 1135 O1 H2O C 379 3.090 42.403 40.030 0.00 0.00 -ATOM 1136 H1 H2O C 379 2.397 41.682 40.025 0.00 0.00 -ATOM 1137 H2 H2O C 379 3.383 42.577 40.970 0.00 0.00 -ATOM 1138 O1 H2O C 380 56.307 4.480 35.691 0.00 0.00 -ATOM 1139 H1 H2O C 380 55.527 4.646 36.295 0.00 0.00 -ATOM 1140 H2 H2O C 380 56.981 3.913 36.165 0.00 0.00 -ATOM 1141 O1 H2O C 381 39.767 15.152 55.609 0.00 0.00 -ATOM 1142 H1 H2O C 381 40.619 15.259 55.096 0.00 0.00 -ATOM 1143 H2 H2O C 381 39.196 15.964 55.480 0.00 0.00 -ATOM 1144 O1 H2O C 382 39.045 4.162 3.981 0.00 0.00 -ATOM 1145 H1 H2O C 382 39.688 3.490 4.350 0.00 0.00 -ATOM 1146 H2 H2O C 382 39.547 4.847 3.454 0.00 0.00 -ATOM 1147 O1 H2O C 383 32.212 2.161 59.730 0.00 0.00 -ATOM 1148 H1 H2O C 383 32.440 2.644 58.884 0.00 0.00 -ATOM 1149 H2 H2O C 383 31.218 2.123 59.834 0.00 0.00 -ATOM 1150 O1 H2O C 384 15.950 41.555 40.085 0.00 0.00 -ATOM 1151 H1 H2O C 384 15.639 42.493 39.934 0.00 0.00 -ATOM 1152 H2 H2O C 384 15.170 40.932 40.028 0.00 0.00 -ATOM 1153 O1 H2O C 385 19.627 13.232 54.810 0.00 0.00 -ATOM 1154 H1 H2O C 385 20.021 12.320 54.698 0.00 0.00 -ATOM 1155 H2 H2O C 385 18.949 13.214 55.545 0.00 0.00 -ATOM 1156 O1 H2O C 386 6.262 36.134 21.359 0.00 0.00 -ATOM 1157 H1 H2O C 386 5.631 36.263 20.594 0.00 0.00 -ATOM 1158 H2 H2O C 386 5.741 36.011 22.204 0.00 0.00 -ATOM 1159 O1 H2O C 387 25.359 44.379 12.444 0.00 0.00 -ATOM 1160 H1 H2O C 387 24.665 45.023 12.121 0.00 0.00 -ATOM 1161 H2 H2O C 387 26.184 44.471 11.885 0.00 0.00 -ATOM 1162 O1 H2O C 388 29.422 7.700 32.425 0.00 0.00 -ATOM 1163 H1 H2O C 388 30.343 7.310 32.395 0.00 0.00 -ATOM 1164 H2 H2O C 388 29.388 8.418 33.121 0.00 0.00 -ATOM 1165 O1 H2O C 389 37.468 9.331 1.068 0.00 0.00 -ATOM 1166 H1 H2O C 389 37.998 8.913 0.330 0.00 0.00 -ATOM 1167 H2 H2O C 389 37.305 8.653 1.786 0.00 0.00 -ATOM 1168 O1 H2O C 390 8.039 11.261 51.133 0.00 0.00 -ATOM 1169 H1 H2O C 390 8.096 12.243 51.312 0.00 0.00 -ATOM 1170 H2 H2O C 390 8.175 11.092 50.157 0.00 0.00 -ATOM 1171 O1 H2O C 391 23.413 56.976 0.545 0.00 0.00 -ATOM 1172 H1 H2O C 391 23.507 57.478 1.405 0.00 0.00 -ATOM 1173 H2 H2O C 391 24.086 57.314 -0.113 0.00 0.00 -ATOM 1174 O1 H2O C 392 3.002 18.857 56.969 0.00 0.00 -ATOM 1175 H1 H2O C 392 3.355 18.565 56.080 0.00 0.00 -ATOM 1176 H2 H2O C 392 3.293 19.798 57.149 0.00 0.00 -ATOM 1177 O1 H2O C 393 47.043 10.149 41.491 0.00 0.00 -ATOM 1178 H1 H2O C 393 47.624 10.766 40.960 0.00 0.00 -ATOM 1179 H2 H2O C 393 46.087 10.289 41.235 0.00 0.00 -ATOM 1180 O1 H2O C 394 51.239 51.157 6.034 0.00 0.00 -ATOM 1181 H1 H2O C 394 52.178 50.986 6.331 0.00 0.00 -ATOM 1182 H2 H2O C 394 50.692 50.330 6.165 0.00 0.00 -ATOM 1183 O1 H2O C 395 37.112 44.700 59.668 0.00 0.00 -ATOM 1184 H1 H2O C 395 37.818 44.009 59.821 0.00 0.00 -ATOM 1185 H2 H2O C 395 36.319 44.276 59.230 0.00 0.00 -ATOM 1186 O1 H2O C 396 58.078 21.616 33.216 0.00 0.00 -ATOM 1187 H1 H2O C 396 57.195 21.380 33.623 0.00 0.00 -ATOM 1188 H2 H2O C 396 57.991 21.640 32.220 0.00 0.00 -ATOM 1189 O1 H2O C 397 41.597 47.538 8.129 0.00 0.00 -ATOM 1190 H1 H2O C 397 41.950 47.030 7.343 0.00 0.00 -ATOM 1191 H2 H2O C 397 41.796 47.033 8.969 0.00 0.00 -ATOM 1192 O1 H2O C 398 17.093 9.456 16.455 0.00 0.00 -ATOM 1193 H1 H2O C 398 18.054 9.669 16.630 0.00 0.00 -ATOM 1194 H2 H2O C 398 16.578 9.513 17.310 0.00 0.00 -ATOM 1195 O1 H2O C 399 31.706 37.108 27.096 0.00 0.00 -ATOM 1196 H1 H2O C 399 31.441 36.524 27.863 0.00 0.00 -ATOM 1197 H2 H2O C 399 32.085 37.965 27.444 0.00 0.00 -ATOM 1198 O1 H2O C 400 51.396 13.771 21.999 0.00 0.00 -ATOM 1199 H1 H2O C 400 51.107 13.923 22.944 0.00 0.00 -ATOM 1200 H2 H2O C 400 52.388 13.640 21.971 0.00 0.00 -ATOM 1201 O1 H2O C 401 31.662 57.082 44.707 0.00 0.00 -ATOM 1202 H1 H2O C 401 32.322 57.126 45.457 0.00 0.00 -ATOM 1203 H2 H2O C 401 32.150 57.040 43.835 0.00 0.00 -ATOM 1204 O1 H2O C 402 10.167 34.657 9.786 0.00 0.00 -ATOM 1205 H1 H2O C 402 9.946 35.175 8.960 0.00 0.00 -ATOM 1206 H2 H2O C 402 10.113 35.259 10.582 0.00 0.00 -ATOM 1207 O1 H2O C 403 50.498 7.897 7.930 0.00 0.00 -ATOM 1208 H1 H2O C 403 49.625 8.092 7.483 0.00 0.00 -ATOM 1209 H2 H2O C 403 50.619 8.514 8.709 0.00 0.00 -ATOM 1210 O1 H2O C 404 9.689 2.631 22.056 0.00 0.00 -ATOM 1211 H1 H2O C 404 9.141 2.464 22.875 0.00 0.00 -ATOM 1212 H2 H2O C 404 9.695 1.810 21.485 0.00 0.00 -ATOM 1213 O1 H2O C 405 36.040 11.655 46.622 0.00 0.00 -ATOM 1214 H1 H2O C 405 36.313 10.693 46.648 0.00 0.00 -ATOM 1215 H2 H2O C 405 36.104 12.044 47.541 0.00 0.00 -ATOM 1216 O1 H2O C 406 39.738 40.519 53.313 0.00 0.00 -ATOM 1217 H1 H2O C 406 40.539 40.657 53.895 0.00 0.00 -ATOM 1218 H2 H2O C 406 39.411 41.404 52.981 0.00 0.00 -ATOM 1219 O1 H2O C 407 56.916 34.208 6.342 0.00 0.00 -ATOM 1220 H1 H2O C 407 56.054 33.725 6.187 0.00 0.00 -ATOM 1221 H2 H2O C 407 57.315 33.909 7.209 0.00 0.00 -ATOM 1222 O1 H2O C 408 59.818 46.742 53.287 0.00 0.00 -ATOM 1223 H1 H2O C 408 59.148 47.023 53.974 0.00 0.00 -ATOM 1224 H2 H2O C 408 59.342 46.419 52.470 0.00 0.00 -ATOM 1225 O1 H2O C 409 46.197 41.783 40.780 0.00 0.00 -ATOM 1226 H1 H2O C 409 46.413 41.131 41.506 0.00 0.00 -ATOM 1227 H2 H2O C 409 45.742 42.582 41.174 0.00 0.00 -ATOM 1228 O1 H2O C 410 14.376 46.646 41.410 0.00 0.00 -ATOM 1229 H1 H2O C 410 15.274 46.898 41.771 0.00 0.00 -ATOM 1230 H2 H2O C 410 14.034 45.843 41.898 0.00 0.00 -ATOM 1231 O1 H2O C 411 47.083 32.552 17.530 0.00 0.00 -ATOM 1232 H1 H2O C 411 46.421 32.575 18.280 0.00 0.00 -ATOM 1233 H2 H2O C 411 47.272 33.486 17.224 0.00 0.00 -ATOM 1234 O1 H2O C 412 3.397 18.590 48.247 0.00 0.00 -ATOM 1235 H1 H2O C 412 3.084 19.501 47.976 0.00 0.00 -ATOM 1236 H2 H2O C 412 2.859 17.897 47.768 0.00 0.00 -ATOM 1237 O1 H2O C 413 14.113 45.566 23.164 0.00 0.00 -ATOM 1238 H1 H2O C 413 14.077 46.459 22.715 0.00 0.00 -ATOM 1239 H2 H2O C 413 14.415 44.875 22.507 0.00 0.00 -ATOM 1240 O1 H2O C 414 29.750 10.014 25.063 0.00 0.00 -ATOM 1241 H1 H2O C 414 30.322 10.232 25.854 0.00 0.00 -ATOM 1242 H2 H2O C 414 30.004 10.604 24.296 0.00 0.00 -ATOM 1243 O1 H2O C 415 10.883 32.482 33.245 0.00 0.00 -ATOM 1244 H1 H2O C 415 10.971 31.781 33.953 0.00 0.00 -ATOM 1245 H2 H2O C 415 10.135 32.240 32.627 0.00 0.00 -ATOM 1246 O1 H2O C 416 8.217 1.130 33.659 0.00 0.00 -ATOM 1247 H1 H2O C 416 7.737 0.253 33.625 0.00 0.00 -ATOM 1248 H2 H2O C 416 9.195 0.970 33.792 0.00 0.00 -ATOM 1249 O1 H2O C 417 25.889 36.674 11.275 0.00 0.00 -ATOM 1250 H1 H2O C 417 25.895 37.667 11.159 0.00 0.00 -ATOM 1251 H2 H2O C 417 26.212 36.444 12.193 0.00 0.00 -ATOM 1252 O1 H2O C 418 1.033 33.736 45.805 0.00 0.00 -ATOM 1253 H1 H2O C 418 1.122 34.040 44.856 0.00 0.00 -ATOM 1254 H2 H2O C 418 0.064 33.670 46.044 0.00 0.00 -ATOM 1255 O1 H2O C 419 56.156 55.492 11.690 0.00 0.00 -ATOM 1256 H1 H2O C 419 55.886 56.437 11.872 0.00 0.00 -ATOM 1257 H2 H2O C 419 55.829 54.903 12.429 0.00 0.00 -ATOM 1258 O1 H2O C 420 43.788 42.585 41.754 0.00 0.00 -ATOM 1259 H1 H2O C 420 44.473 42.022 42.217 0.00 0.00 -ATOM 1260 H2 H2O C 420 43.162 42.971 42.431 0.00 0.00 -ATOM 1261 O1 H2O C 421 2.212 41.746 20.673 0.00 0.00 -ATOM 1262 H1 H2O C 421 2.637 42.152 21.482 0.00 0.00 -ATOM 1263 H2 H2O C 421 2.325 42.360 19.892 0.00 0.00 -ATOM 1264 O1 H2O C 422 39.117 24.058 22.757 0.00 0.00 -ATOM 1265 H1 H2O C 422 38.560 24.874 22.607 0.00 0.00 -ATOM 1266 H2 H2O C 422 39.372 23.661 21.875 0.00 0.00 -ATOM 1267 O1 H2O C 423 32.215 21.138 49.005 0.00 0.00 -ATOM 1268 H1 H2O C 423 32.254 21.010 48.014 0.00 0.00 -ATOM 1269 H2 H2O C 423 31.273 21.330 49.279 0.00 0.00 -ATOM 1270 O1 H2O C 424 12.933 47.362 0.100 0.00 0.00 -ATOM 1271 H1 H2O C 424 12.344 47.445 0.904 0.00 0.00 -ATOM 1272 H2 H2O C 424 13.636 46.672 0.273 0.00 0.00 -ATOM 1273 O1 H2O C 425 32.353 7.236 20.333 0.00 0.00 -ATOM 1274 H1 H2O C 425 32.535 6.963 21.277 0.00 0.00 -ATOM 1275 H2 H2O C 425 31.397 7.518 20.246 0.00 0.00 -ATOM 1276 O1 H2O C 426 21.123 16.414 33.443 0.00 0.00 -ATOM 1277 H1 H2O C 426 21.516 15.693 34.014 0.00 0.00 -ATOM 1278 H2 H2O C 426 20.427 16.021 32.843 0.00 0.00 -ATOM 1279 O1 H2O C 427 8.212 52.218 15.858 0.00 0.00 -ATOM 1280 H1 H2O C 427 8.046 51.362 15.369 0.00 0.00 -ATOM 1281 H2 H2O C 427 7.653 52.242 16.687 0.00 0.00 -ATOM 1282 O1 H2O C 428 33.802 40.324 12.895 0.00 0.00 -ATOM 1283 H1 H2O C 428 33.559 39.740 12.121 0.00 0.00 -ATOM 1284 H2 H2O C 428 34.638 39.980 13.323 0.00 0.00 -ATOM 1285 O1 H2O C 429 27.995 48.809 30.526 0.00 0.00 -ATOM 1286 H1 H2O C 429 28.255 49.493 29.845 0.00 0.00 -ATOM 1287 H2 H2O C 429 27.194 48.305 30.204 0.00 0.00 -ATOM 1288 O1 H2O C 430 56.064 28.194 33.367 0.00 0.00 -ATOM 1289 H1 H2O C 430 56.749 28.142 34.094 0.00 0.00 -ATOM 1290 H2 H2O C 430 55.335 28.821 33.641 0.00 0.00 -ATOM 1291 O1 H2O C 431 46.819 39.465 2.557 0.00 0.00 -ATOM 1292 H1 H2O C 431 46.263 38.676 2.294 0.00 0.00 -ATOM 1293 H2 H2O C 431 47.615 39.527 1.955 0.00 0.00 -ATOM 1294 O1 H2O C 432 0.091 7.202 58.377 0.00 0.00 -ATOM 1295 H1 H2O C 432 -0.228 7.078 59.317 0.00 0.00 -ATOM 1296 H2 H2O C 432 1.018 6.836 58.289 0.00 0.00 -ATOM 1297 O1 H2O C 433 52.707 44.184 10.522 0.00 0.00 -ATOM 1298 H1 H2O C 433 51.886 43.615 10.481 0.00 0.00 -ATOM 1299 H2 H2O C 433 52.489 45.053 10.966 0.00 0.00 -ATOM 1300 O1 H2O C 434 18.631 48.270 11.924 0.00 0.00 -ATOM 1301 H1 H2O C 434 17.955 48.877 12.341 0.00 0.00 -ATOM 1302 H2 H2O C 434 19.219 47.886 12.636 0.00 0.00 -ATOM 1303 O1 H2O C 435 1.009 53.037 39.962 0.00 0.00 -ATOM 1304 H1 H2O C 435 1.302 52.095 40.126 0.00 0.00 -ATOM 1305 H2 H2O C 435 1.713 53.667 40.288 0.00 0.00 -ATOM 1306 O1 H2O C 436 20.356 51.788 22.753 0.00 0.00 -ATOM 1307 H1 H2O C 436 21.306 52.102 22.757 0.00 0.00 -ATOM 1308 H2 H2O C 436 20.148 51.370 21.868 0.00 0.00 -ATOM 1309 O1 H2O C 437 54.527 59.861 38.614 0.00 0.00 -ATOM 1310 H1 H2O C 437 54.842 58.923 38.764 0.00 0.00 -ATOM 1311 H2 H2O C 437 53.918 59.886 37.821 0.00 0.00 -ATOM 1312 O1 H2O C 438 29.109 26.390 25.739 0.00 0.00 -ATOM 1313 H1 H2O C 438 29.184 25.678 25.041 0.00 0.00 -ATOM 1314 H2 H2O C 438 29.212 25.979 26.646 0.00 0.00 -ATOM 1315 O1 H2O C 439 45.064 49.377 12.585 0.00 0.00 -ATOM 1316 H1 H2O C 439 45.946 49.591 13.004 0.00 0.00 -ATOM 1317 H2 H2O C 439 44.793 50.125 11.979 0.00 0.00 -ATOM 1318 O1 H2O C 440 50.005 42.595 8.566 0.00 0.00 -ATOM 1319 H1 H2O C 440 50.576 42.217 9.294 0.00 0.00 -ATOM 1320 H2 H2O C 440 49.123 42.123 8.555 0.00 0.00 -ATOM 1321 O1 H2O C 441 45.925 29.666 31.515 0.00 0.00 -ATOM 1322 H1 H2O C 441 45.807 30.632 31.286 0.00 0.00 -ATOM 1323 H2 H2O C 441 46.484 29.584 32.340 0.00 0.00 -ATOM 1324 O1 H2O C 442 37.818 35.466 24.997 0.00 0.00 -ATOM 1325 H1 H2O C 442 37.500 35.637 25.930 0.00 0.00 -ATOM 1326 H2 H2O C 442 38.818 35.440 24.986 0.00 0.00 -ATOM 1327 O1 H2O C 443 37.582 42.912 27.130 0.00 0.00 -ATOM 1328 H1 H2O C 443 37.990 42.882 26.218 0.00 0.00 -ATOM 1329 H2 H2O C 443 37.995 42.206 27.704 0.00 0.00 -ATOM 1330 O1 H2O C 444 12.370 3.394 38.224 0.00 0.00 -ATOM 1331 H1 H2O C 444 12.978 3.446 37.432 0.00 0.00 -ATOM 1332 H2 H2O C 444 11.515 3.872 38.020 0.00 0.00 -ATOM 1333 O1 H2O C 445 3.810 29.415 30.858 0.00 0.00 -ATOM 1334 H1 H2O C 445 4.578 29.761 30.319 0.00 0.00 -ATOM 1335 H2 H2O C 445 3.920 29.695 31.812 0.00 0.00 -ATOM 1336 O1 H2O C 446 31.829 49.860 35.243 0.00 0.00 -ATOM 1337 H1 H2O C 446 32.808 50.036 35.134 0.00 0.00 -ATOM 1338 H2 H2O C 446 31.311 50.658 34.935 0.00 0.00 -ATOM 1339 O1 H2O C 447 10.341 36.634 7.632 0.00 0.00 -ATOM 1340 H1 H2O C 447 10.495 36.691 8.618 0.00 0.00 -ATOM 1341 H2 H2O C 447 9.785 35.829 7.427 0.00 0.00 -ATOM 1342 O1 H2O C 448 53.560 16.273 23.386 0.00 0.00 -ATOM 1343 H1 H2O C 448 52.969 17.072 23.281 0.00 0.00 -ATOM 1344 H2 H2O C 448 53.389 15.632 22.638 0.00 0.00 -ATOM 1345 O1 H2O C 449 13.175 44.738 0.403 0.00 0.00 -ATOM 1346 H1 H2O C 449 13.306 44.316 -0.494 0.00 0.00 -ATOM 1347 H2 H2O C 449 13.795 45.517 0.498 0.00 0.00 -ATOM 1348 O1 H2O C 450 46.169 33.284 51.003 0.00 0.00 -ATOM 1349 H1 H2O C 450 46.691 33.531 51.819 0.00 0.00 -ATOM 1350 H2 H2O C 450 45.758 34.106 50.609 0.00 0.00 -ATOM 1351 O1 H2O C 451 45.152 18.788 36.755 0.00 0.00 -ATOM 1352 H1 H2O C 451 44.397 18.401 36.226 0.00 0.00 -ATOM 1353 H2 H2O C 451 45.990 18.279 36.562 0.00 0.00 -ATOM 1354 O1 H2O C 452 40.172 7.839 4.028 0.00 0.00 -ATOM 1355 H1 H2O C 452 39.697 6.972 4.181 0.00 0.00 -ATOM 1356 H2 H2O C 452 39.512 8.536 3.750 0.00 0.00 -ATOM 1357 O1 H2O C 453 47.474 22.500 2.088 0.00 0.00 -ATOM 1358 H1 H2O C 453 48.006 22.227 2.890 0.00 0.00 -ATOM 1359 H2 H2O C 453 46.612 21.993 2.072 0.00 0.00 -ATOM 1360 O1 H2O C 454 3.345 9.878 21.317 0.00 0.00 -ATOM 1361 H1 H2O C 454 4.303 9.783 21.588 0.00 0.00 -ATOM 1362 H2 H2O C 454 2.768 9.897 22.134 0.00 0.00 -ATOM 1363 O1 H2O C 455 9.190 37.378 25.268 0.00 0.00 -ATOM 1364 H1 H2O C 455 9.955 37.797 24.779 0.00 0.00 -ATOM 1365 H2 H2O C 455 9.436 37.252 26.229 0.00 0.00 -ATOM 1366 O1 H2O C 456 35.988 12.055 49.421 0.00 0.00 -ATOM 1367 H1 H2O C 456 36.687 11.454 49.811 0.00 0.00 -ATOM 1368 H2 H2O C 456 36.283 13.006 49.504 0.00 0.00 -ATOM 1369 O1 H2O C 457 43.296 42.305 27.788 0.00 0.00 -ATOM 1370 H1 H2O C 457 42.312 42.470 27.865 0.00 0.00 -ATOM 1371 H2 H2O C 457 43.717 43.042 27.258 0.00 0.00 -ATOM 1372 O1 H2O C 458 2.040 5.267 20.875 0.00 0.00 -ATOM 1373 H1 H2O C 458 2.633 5.783 20.256 0.00 0.00 -ATOM 1374 H2 H2O C 458 2.150 5.612 21.807 0.00 0.00 -ATOM 1375 O1 H2O C 459 46.325 45.125 57.770 0.00 0.00 -ATOM 1376 H1 H2O C 459 47.100 44.494 57.811 0.00 0.00 -ATOM 1377 H2 H2O C 459 46.631 46.008 57.415 0.00 0.00 -ATOM 1378 O1 H2O C 460 57.589 30.201 47.421 0.00 0.00 -ATOM 1379 H1 H2O C 460 58.507 30.534 47.639 0.00 0.00 -ATOM 1380 H2 H2O C 460 57.130 29.916 48.262 0.00 0.00 -ATOM 1381 O1 H2O C 461 5.577 57.842 3.448 0.00 0.00 -ATOM 1382 H1 H2O C 461 5.628 57.982 4.437 0.00 0.00 -ATOM 1383 H2 H2O C 461 4.733 57.355 3.224 0.00 0.00 -ATOM 1384 O1 H2O C 462 36.229 15.976 50.796 0.00 0.00 -ATOM 1385 H1 H2O C 462 36.016 15.949 51.773 0.00 0.00 -ATOM 1386 H2 H2O C 462 36.624 15.101 50.516 0.00 0.00 -ATOM 1387 O1 H2O C 463 42.089 59.154 11.021 0.00 0.00 -ATOM 1388 H1 H2O C 463 42.877 58.906 11.586 0.00 0.00 -ATOM 1389 H2 H2O C 463 41.319 58.557 11.243 0.00 0.00 -ATOM 1390 O1 H2O C 464 29.130 50.188 21.877 0.00 0.00 -ATOM 1391 H1 H2O C 464 28.322 49.609 21.981 0.00 0.00 -ATOM 1392 H2 H2O C 464 29.295 50.688 22.727 0.00 0.00 -ATOM 1393 O1 H2O C 465 42.731 11.167 44.158 0.00 0.00 -ATOM 1394 H1 H2O C 465 42.767 12.007 43.617 0.00 0.00 -ATOM 1395 H2 H2O C 465 42.512 10.395 43.561 0.00 0.00 -ATOM 1396 O1 H2O C 466 42.267 20.127 6.712 0.00 0.00 -ATOM 1397 H1 H2O C 466 42.879 20.917 6.761 0.00 0.00 -ATOM 1398 H2 H2O C 466 41.383 20.364 7.114 0.00 0.00 -ATOM 1399 O1 H2O C 467 2.685 33.212 40.424 0.00 0.00 -ATOM 1400 H1 H2O C 467 2.449 34.160 40.208 0.00 0.00 -ATOM 1401 H2 H2O C 467 3.119 32.787 39.630 0.00 0.00 -ATOM 1402 O1 H2O C 468 40.664 32.565 2.824 0.00 0.00 -ATOM 1403 H1 H2O C 468 41.188 32.896 2.039 0.00 0.00 -ATOM 1404 H2 H2O C 468 39.687 32.680 2.645 0.00 0.00 -ATOM 1405 O1 H2O C 469 39.393 14.571 15.623 0.00 0.00 -ATOM 1406 H1 H2O C 469 40.018 14.401 14.861 0.00 0.00 -ATOM 1407 H2 H2O C 469 38.473 14.267 15.373 0.00 0.00 -ATOM 1408 O1 H2O C 470 46.760 38.770 23.571 0.00 0.00 -ATOM 1409 H1 H2O C 470 47.083 38.386 24.436 0.00 0.00 -ATOM 1410 H2 H2O C 470 46.755 39.768 23.630 0.00 0.00 -ATOM 1411 O1 H2O C 471 44.757 48.841 14.176 0.00 0.00 -ATOM 1412 H1 H2O C 471 44.168 49.558 14.547 0.00 0.00 -ATOM 1413 H2 H2O C 471 44.233 48.276 13.538 0.00 0.00 -ATOM 1414 O1 H2O C 472 51.917 24.900 26.466 0.00 0.00 -ATOM 1415 H1 H2O C 472 50.931 24.933 26.300 0.00 0.00 -ATOM 1416 H2 H2O C 472 52.143 25.491 27.241 0.00 0.00 -ATOM 1417 O1 H2O C 473 44.463 41.216 37.069 0.00 0.00 -ATOM 1418 H1 H2O C 473 43.543 40.847 36.937 0.00 0.00 -ATOM 1419 H2 H2O C 473 44.648 41.907 36.370 0.00 0.00 -ATOM 1420 O1 H2O C 474 24.128 57.815 44.857 0.00 0.00 -ATOM 1421 H1 H2O C 474 23.540 57.476 45.591 0.00 0.00 -ATOM 1422 H2 H2O C 474 24.870 58.360 45.248 0.00 0.00 -ATOM 1423 O1 H2O C 475 40.661 53.076 16.008 0.00 0.00 -ATOM 1424 H1 H2O C 475 41.227 53.378 15.241 0.00 0.00 -ATOM 1425 H2 H2O C 475 40.806 52.099 16.164 0.00 0.00 -ATOM 1426 O1 H2O C 476 46.833 30.083 44.848 0.00 0.00 -ATOM 1427 H1 H2O C 476 47.454 30.552 44.220 0.00 0.00 -ATOM 1428 H2 H2O C 476 47.174 29.161 45.027 0.00 0.00 -ATOM 1429 O1 H2O C 477 54.969 53.726 13.616 0.00 0.00 -ATOM 1430 H1 H2O C 477 55.153 52.886 14.127 0.00 0.00 -ATOM 1431 H2 H2O C 477 55.179 54.517 14.190 0.00 0.00 -ATOM 1432 O1 H2O C 478 5.114 37.466 42.719 0.00 0.00 -ATOM 1433 H1 H2O C 478 5.801 36.790 42.989 0.00 0.00 -ATOM 1434 H2 H2O C 478 5.548 38.362 42.623 0.00 0.00 -ATOM 1435 O1 H2O C 479 32.986 34.615 9.415 0.00 0.00 -ATOM 1436 H1 H2O C 479 32.261 34.094 8.966 0.00 0.00 -ATOM 1437 H2 H2O C 479 33.207 34.189 10.293 0.00 0.00 -ATOM 1438 O1 H2O C 480 54.825 49.641 20.923 0.00 0.00 -ATOM 1439 H1 H2O C 480 55.735 49.274 21.114 0.00 0.00 -ATOM 1440 H2 H2O C 480 54.132 48.972 21.193 0.00 0.00 -ATOM 1441 O1 H2O C 481 0.646 22.157 13.872 0.00 0.00 -ATOM 1442 H1 H2O C 481 0.406 22.213 12.903 0.00 0.00 -ATOM 1443 H2 H2O C 481 0.821 23.076 14.226 0.00 0.00 -ATOM 1444 O1 H2O C 482 50.892 9.973 28.656 0.00 0.00 -ATOM 1445 H1 H2O C 482 50.151 10.609 28.437 0.00 0.00 -ATOM 1446 H2 H2O C 482 50.798 9.667 29.604 0.00 0.00 -ATOM 1447 O1 H2O C 483 2.851 11.823 24.580 0.00 0.00 -ATOM 1448 H1 H2O C 483 2.523 11.757 23.638 0.00 0.00 -ATOM 1449 H2 H2O C 483 2.384 12.576 25.044 0.00 0.00 -ATOM 1450 O1 H2O C 484 59.942 33.980 35.595 0.00 0.00 -ATOM 1451 H1 H2O C 484 59.016 33.773 35.912 0.00 0.00 -ATOM 1452 H2 H2O C 484 60.606 33.570 36.220 0.00 0.00 -ATOM 1453 O1 H2O C 485 52.476 10.384 30.287 0.00 0.00 -ATOM 1454 H1 H2O C 485 52.753 10.857 29.451 0.00 0.00 -ATOM 1455 H2 H2O C 485 51.964 9.559 30.050 0.00 0.00 -ATOM 1456 O1 H2O C 486 20.363 29.398 10.726 0.00 0.00 -ATOM 1457 H1 H2O C 486 19.621 29.592 11.368 0.00 0.00 -ATOM 1458 H2 H2O C 486 20.918 28.643 11.077 0.00 0.00 -ATOM 1459 O1 H2O C 487 16.374 45.880 55.946 0.00 0.00 -ATOM 1460 H1 H2O C 487 17.208 45.701 55.423 0.00 0.00 -ATOM 1461 H2 H2O C 487 16.172 45.094 56.530 0.00 0.00 -ATOM 1462 O1 H2O C 488 16.566 48.696 27.963 0.00 0.00 -ATOM 1463 H1 H2O C 488 15.608 48.977 28.023 0.00 0.00 -ATOM 1464 H2 H2O C 488 17.147 49.407 28.358 0.00 0.00 -ATOM 1465 O1 H2O C 489 12.908 48.586 9.429 0.00 0.00 -ATOM 1466 H1 H2O C 489 12.415 47.748 9.190 0.00 0.00 -ATOM 1467 H2 H2O C 489 13.712 48.354 9.976 0.00 0.00 -ATOM 1468 O1 H2O C 490 36.386 5.172 35.402 0.00 0.00 -ATOM 1469 H1 H2O C 490 36.817 5.477 36.251 0.00 0.00 -ATOM 1470 H2 H2O C 490 35.441 4.904 35.586 0.00 0.00 -ATOM 1471 O1 H2O C 491 19.640 31.381 27.704 0.00 0.00 -ATOM 1472 H1 H2O C 491 19.681 30.934 28.598 0.00 0.00 -ATOM 1473 H2 H2O C 491 19.723 30.693 26.983 0.00 0.00 -ATOM 1474 O1 H2O C 492 45.673 41.127 49.480 0.00 0.00 -ATOM 1475 H1 H2O C 492 45.750 41.392 50.441 0.00 0.00 -ATOM 1476 H2 H2O C 492 45.986 41.879 48.900 0.00 0.00 -ATOM 1477 O1 H2O C 493 57.657 5.603 -0.128 0.00 0.00 -ATOM 1478 H1 H2O C 493 58.427 5.271 -0.674 0.00 0.00 -ATOM 1479 H2 H2O C 493 57.816 5.391 0.836 0.00 0.00 -ATOM 1480 O1 H2O C 494 15.431 56.379 28.245 0.00 0.00 -ATOM 1481 H1 H2O C 494 15.778 57.046 27.585 0.00 0.00 -ATOM 1482 H2 H2O C 494 14.658 55.885 27.845 0.00 0.00 -ATOM 1483 O1 H2O C 495 11.041 2.356 51.596 0.00 0.00 -ATOM 1484 H1 H2O C 495 11.357 3.110 52.172 0.00 0.00 -ATOM 1485 H2 H2O C 495 11.637 1.564 51.726 0.00 0.00 -ATOM 1486 O1 H2O C 496 28.884 58.875 51.928 0.00 0.00 -ATOM 1487 H1 H2O C 496 29.456 58.549 51.176 0.00 0.00 -ATOM 1488 H2 H2O C 496 28.501 59.769 51.693 0.00 0.00 -ATOM 1489 O1 H2O C 497 0.949 46.279 17.374 0.00 0.00 -ATOM 1490 H1 H2O C 497 1.180 45.326 17.179 0.00 0.00 -ATOM 1491 H2 H2O C 497 0.732 46.751 16.520 0.00 0.00 -ATOM 1492 O1 H2O C 498 24.123 43.476 58.513 0.00 0.00 -ATOM 1493 H1 H2O C 498 24.935 42.939 58.283 0.00 0.00 -ATOM 1494 H2 H2O C 498 24.259 43.923 59.397 0.00 0.00 -ATOM 1495 O1 H2O C 499 3.707 54.102 36.341 0.00 0.00 -ATOM 1496 H1 H2O C 499 4.016 53.765 35.452 0.00 0.00 -ATOM 1497 H2 H2O C 499 3.883 55.085 36.405 0.00 0.00 -ATOM 1498 O1 H2O C 500 59.519 46.414 14.760 0.00 0.00 -ATOM 1499 H1 H2O C 500 59.629 46.822 13.854 0.00 0.00 -ATOM 1500 H2 H2O C 500 60.418 46.282 15.177 0.00 0.00 -ATOM 1501 O1 H2O C 501 20.318 25.964 43.192 0.00 0.00 -ATOM 1502 H1 H2O C 501 19.404 25.783 42.829 0.00 0.00 -ATOM 1503 H2 H2O C 501 21.000 25.782 42.484 0.00 0.00 -ATOM 1504 O1 H2O C 502 54.461 2.775 12.235 0.00 0.00 -ATOM 1505 H1 H2O C 502 55.290 3.147 11.817 0.00 0.00 -ATOM 1506 H2 H2O C 502 53.787 3.506 12.346 0.00 0.00 -ATOM 1507 O1 H2O C 503 54.522 22.141 33.473 0.00 0.00 -ATOM 1508 H1 H2O C 503 55.400 21.736 33.727 0.00 0.00 -ATOM 1509 H2 H2O C 503 54.436 22.156 32.477 0.00 0.00 -ATOM 1510 O1 H2O C 504 37.317 0.535 47.238 0.00 0.00 -ATOM 1511 H1 H2O C 504 37.876 -0.279 47.397 0.00 0.00 -ATOM 1512 H2 H2O C 504 37.699 1.307 47.745 0.00 0.00 -ATOM 1513 O1 H2O C 505 16.918 36.557 38.415 0.00 0.00 -ATOM 1514 H1 H2O C 505 17.175 37.493 38.654 0.00 0.00 -ATOM 1515 H2 H2O C 505 17.522 35.915 38.887 0.00 0.00 -ATOM 1516 O1 H2O C 506 10.270 15.250 27.281 0.00 0.00 -ATOM 1517 H1 H2O C 506 9.817 16.052 26.892 0.00 0.00 -ATOM 1518 H2 H2O C 506 10.024 15.163 28.246 0.00 0.00 -ATOM 1519 O1 H2O C 507 38.028 33.280 32.646 0.00 0.00 -ATOM 1520 H1 H2O C 507 37.889 34.257 32.483 0.00 0.00 -ATOM 1521 H2 H2O C 507 37.989 32.789 31.776 0.00 0.00 -ATOM 1522 O1 H2O C 508 31.859 34.745 10.174 0.00 0.00 -ATOM 1523 H1 H2O C 508 31.854 35.668 10.558 0.00 0.00 -ATOM 1524 H2 H2O C 508 31.777 34.798 9.178 0.00 0.00 -ATOM 1525 O1 H2O C 509 25.301 32.995 43.479 0.00 0.00 -ATOM 1526 H1 H2O C 509 26.163 33.000 42.972 0.00 0.00 -ATOM 1527 H2 H2O C 509 25.332 33.692 44.195 0.00 0.00 -ATOM 1528 O1 H2O C 510 55.514 41.650 19.856 0.00 0.00 -ATOM 1529 H1 H2O C 510 56.141 42.048 19.187 0.00 0.00 -ATOM 1530 H2 H2O C 510 55.680 40.666 19.925 0.00 0.00 -ATOM 1531 O1 H2O C 511 34.311 56.986 50.686 0.00 0.00 -ATOM 1532 H1 H2O C 511 33.699 56.254 50.984 0.00 0.00 -ATOM 1533 H2 H2O C 511 33.786 57.826 50.552 0.00 0.00 -ATOM 1534 O1 H2O C 512 35.836 8.034 58.822 0.00 0.00 -ATOM 1535 H1 H2O C 512 36.289 8.685 58.213 0.00 0.00 -ATOM 1536 H2 H2O C 512 34.856 8.231 58.852 0.00 0.00 -ATOM 1537 O1 H2O C 513 40.397 18.386 34.494 0.00 0.00 -ATOM 1538 H1 H2O C 513 40.543 17.408 34.641 0.00 0.00 -ATOM 1539 H2 H2O C 513 39.901 18.770 35.272 0.00 0.00 -ATOM 1540 O1 H2O C 514 44.392 51.281 38.058 0.00 0.00 -ATOM 1541 H1 H2O C 514 43.495 50.878 37.878 0.00 0.00 -ATOM 1542 H2 H2O C 514 45.048 50.952 37.378 0.00 0.00 -ATOM 1543 O1 H2O C 515 44.091 48.444 6.252 0.00 0.00 -ATOM 1544 H1 H2O C 515 43.177 48.037 6.247 0.00 0.00 -ATOM 1545 H2 H2O C 515 44.736 47.811 6.678 0.00 0.00 -ATOM 1546 O1 H2O C 516 39.967 39.414 46.548 0.00 0.00 -ATOM 1547 H1 H2O C 516 39.381 38.728 46.979 0.00 0.00 -ATOM 1548 H2 H2O C 516 40.005 40.230 47.125 0.00 0.00 -ATOM 1549 O1 H2O C 517 46.491 18.352 16.950 0.00 0.00 -ATOM 1550 H1 H2O C 517 45.851 18.697 16.263 0.00 0.00 -ATOM 1551 H2 H2O C 517 46.195 17.447 17.256 0.00 0.00 -ATOM 1552 O1 H2O C 518 13.412 13.345 26.038 0.00 0.00 -ATOM 1553 H1 H2O C 518 12.479 13.064 26.263 0.00 0.00 -ATOM 1554 H2 H2O C 518 13.428 14.327 25.851 0.00 0.00 -ATOM 1555 O1 H2O C 519 40.034 9.935 33.576 0.00 0.00 -ATOM 1556 H1 H2O C 519 40.649 10.398 34.214 0.00 0.00 -ATOM 1557 H2 H2O C 519 39.272 10.541 33.349 0.00 0.00 -ATOM 1558 O1 H2O C 520 4.494 1.694 30.511 0.00 0.00 -ATOM 1559 H1 H2O C 520 4.909 0.961 29.972 0.00 0.00 -ATOM 1560 H2 H2O C 520 5.133 1.986 31.224 0.00 0.00 -ATOM 1561 O1 H2O C 521 2.569 1.607 23.945 0.00 0.00 -ATOM 1562 H1 H2O C 521 1.774 1.589 24.552 0.00 0.00 -ATOM 1563 H2 H2O C 521 3.384 1.849 24.471 0.00 0.00 -ATOM 1564 O1 H2O C 522 51.632 19.575 39.073 0.00 0.00 -ATOM 1565 H1 H2O C 522 52.479 19.828 38.606 0.00 0.00 -ATOM 1566 H2 H2O C 522 50.852 19.770 38.478 0.00 0.00 -ATOM 1567 O1 H2O C 523 0.491 16.099 19.737 0.00 0.00 -ATOM 1568 H1 H2O C 523 1.111 15.631 19.107 0.00 0.00 -ATOM 1569 H2 H2O C 523 0.730 15.859 20.679 0.00 0.00 -ATOM 1570 O1 H2O C 524 2.577 4.442 39.957 0.00 0.00 -ATOM 1571 H1 H2O C 524 2.226 4.504 39.023 0.00 0.00 -ATOM 1572 H2 H2O C 524 2.638 5.360 40.351 0.00 0.00 -ATOM 1573 O1 H2O C 525 20.949 33.398 34.723 0.00 0.00 -ATOM 1574 H1 H2O C 525 21.126 32.417 34.645 0.00 0.00 -ATOM 1575 H2 H2O C 525 21.812 33.899 34.661 0.00 0.00 -ATOM 1576 O1 H2O C 526 36.653 1.969 53.503 0.00 0.00 -ATOM 1577 H1 H2O C 526 36.445 1.435 52.683 0.00 0.00 -ATOM 1578 H2 H2O C 526 37.264 1.444 54.096 0.00 0.00 -ATOM 1579 O1 H2O C 527 12.524 42.112 19.593 0.00 0.00 -ATOM 1580 H1 H2O C 527 11.567 42.384 19.690 0.00 0.00 -ATOM 1581 H2 H2O C 527 12.721 41.356 20.217 0.00 0.00 -ATOM 1582 O1 H2O C 528 7.782 56.844 56.140 0.00 0.00 -ATOM 1583 H1 H2O C 528 7.529 57.776 56.398 0.00 0.00 -ATOM 1584 H2 H2O C 528 7.180 56.525 55.409 0.00 0.00 -ATOM 1585 O1 H2O C 529 57.728 48.088 29.631 0.00 0.00 -ATOM 1586 H1 H2O C 529 56.804 47.985 29.998 0.00 0.00 -ATOM 1587 H2 H2O C 529 58.141 47.185 29.508 0.00 0.00 -ATOM 1588 O1 H2O C 530 8.754 39.612 18.287 0.00 0.00 -ATOM 1589 H1 H2O C 530 8.026 38.964 18.061 0.00 0.00 -ATOM 1590 H2 H2O C 530 8.358 40.415 18.733 0.00 0.00 -ATOM 1591 O1 H2O C 531 27.342 42.367 9.889 0.00 0.00 -ATOM 1592 H1 H2O C 531 26.411 42.071 9.678 0.00 0.00 -ATOM 1593 H2 H2O C 531 27.375 43.366 9.922 0.00 0.00 -ATOM 1594 O1 H2O C 532 14.763 12.461 43.862 0.00 0.00 -ATOM 1595 H1 H2O C 532 15.493 12.945 43.380 0.00 0.00 -ATOM 1596 H2 H2O C 532 14.962 12.448 44.842 0.00 0.00 -ATOM 1597 O1 H2O C 533 39.970 17.763 1.097 0.00 0.00 -ATOM 1598 H1 H2O C 533 40.541 17.401 0.360 0.00 0.00 -ATOM 1599 H2 H2O C 533 40.550 18.194 1.788 0.00 0.00 -ATOM 1600 O1 H2O C 534 12.125 38.805 12.526 0.00 0.00 -ATOM 1601 H1 H2O C 534 11.590 38.426 13.281 0.00 0.00 -ATOM 1602 H2 H2O C 534 12.934 39.267 12.889 0.00 0.00 -ATOM 1603 O1 H2O C 535 10.280 23.643 49.944 0.00 0.00 -ATOM 1604 H1 H2O C 535 9.360 23.491 50.306 0.00 0.00 -ATOM 1605 H2 H2O C 535 10.289 24.481 49.399 0.00 0.00 -ATOM 1606 O1 H2O C 536 27.084 15.799 23.554 0.00 0.00 -ATOM 1607 H1 H2O C 536 27.404 16.212 22.701 0.00 0.00 -ATOM 1608 H2 H2O C 536 26.220 16.223 23.826 0.00 0.00 -ATOM 1609 O1 H2O C 537 49.841 33.255 58.175 0.00 0.00 -ATOM 1610 H1 H2O C 537 50.237 32.368 58.414 0.00 0.00 -ATOM 1611 H2 H2O C 537 48.865 33.146 57.989 0.00 0.00 -ATOM 1612 O1 H2O C 538 35.685 22.490 36.052 0.00 0.00 -ATOM 1613 H1 H2O C 538 35.270 22.538 35.143 0.00 0.00 -ATOM 1614 H2 H2O C 538 36.552 22.987 36.050 0.00 0.00 -ATOM 1615 O1 H2O C 539 21.194 46.493 55.199 0.00 0.00 -ATOM 1616 H1 H2O C 539 21.018 47.476 55.270 0.00 0.00 -ATOM 1617 H2 H2O C 539 20.593 46.096 54.505 0.00 0.00 -ATOM 1618 O1 H2O C 540 53.456 29.170 36.853 0.00 0.00 -ATOM 1619 H1 H2O C 540 53.488 29.177 37.853 0.00 0.00 -ATOM 1620 H2 H2O C 540 54.100 29.846 36.495 0.00 0.00 -ATOM 1621 O1 H2O C 541 31.758 46.618 55.194 0.00 0.00 -ATOM 1622 H1 H2O C 541 32.531 47.163 55.517 0.00 0.00 -ATOM 1623 H2 H2O C 541 30.906 47.006 55.547 0.00 0.00 -ATOM 1624 O1 H2O C 542 14.000 53.382 19.444 0.00 0.00 -ATOM 1625 H1 H2O C 542 14.948 53.159 19.669 0.00 0.00 -ATOM 1626 H2 H2O C 542 13.415 52.598 19.649 0.00 0.00 -ATOM 1627 O1 H2O C 543 55.564 57.889 20.104 0.00 0.00 -ATOM 1628 H1 H2O C 543 55.104 57.003 20.039 0.00 0.00 -ATOM 1629 H2 H2O C 543 55.027 58.579 19.619 0.00 0.00 -ATOM 1630 O1 H2O C 544 29.598 7.177 41.152 0.00 0.00 -ATOM 1631 H1 H2O C 544 30.369 6.633 41.483 0.00 0.00 -ATOM 1632 H2 H2O C 544 29.175 6.716 40.372 0.00 0.00 -ATOM 1633 O1 H2O C 545 54.778 14.855 39.848 0.00 0.00 -ATOM 1634 H1 H2O C 545 55.031 15.738 40.243 0.00 0.00 -ATOM 1635 H2 H2O C 545 55.145 14.118 40.416 0.00 0.00 -ATOM 1636 O1 H2O C 546 13.790 56.079 26.681 0.00 0.00 -ATOM 1637 H1 H2O C 546 13.027 56.487 26.180 0.00 0.00 -ATOM 1638 H2 H2O C 546 14.642 56.245 26.183 0.00 0.00 -ATOM 1639 O1 H2O C 547 34.559 5.818 50.071 0.00 0.00 -ATOM 1640 H1 H2O C 547 35.217 6.564 50.176 0.00 0.00 -ATOM 1641 H2 H2O C 547 34.748 5.110 50.752 0.00 0.00 -ATOM 1642 O1 H2O C 548 36.357 35.882 43.382 0.00 0.00 -ATOM 1643 H1 H2O C 548 36.386 35.773 44.376 0.00 0.00 -ATOM 1644 H2 H2O C 548 35.698 35.237 42.995 0.00 0.00 -ATOM 1645 O1 H2O C 549 8.439 8.413 11.237 0.00 0.00 -ATOM 1646 H1 H2O C 549 7.634 8.776 11.705 0.00 0.00 -ATOM 1647 H2 H2O C 549 9.081 8.049 11.912 0.00 0.00 -ATOM 1648 O1 H2O C 550 10.933 48.852 19.107 0.00 0.00 -ATOM 1649 H1 H2O C 550 10.512 47.981 19.360 0.00 0.00 -ATOM 1650 H2 H2O C 550 11.915 48.814 19.294 0.00 0.00 -ATOM 1651 O1 H2O C 551 25.202 46.000 9.586 0.00 0.00 -ATOM 1652 H1 H2O C 551 25.815 46.120 10.367 0.00 0.00 -ATOM 1653 H2 H2O C 551 24.705 45.138 9.681 0.00 0.00 -ATOM 1654 O1 H2O C 552 36.289 41.332 51.096 0.00 0.00 -ATOM 1655 H1 H2O C 552 36.832 42.051 51.529 0.00 0.00 -ATOM 1656 H2 H2O C 552 36.787 40.965 50.310 0.00 0.00 -ATOM 1657 O1 H2O C 553 12.181 20.048 53.829 0.00 0.00 -ATOM 1658 H1 H2O C 553 12.695 19.808 54.652 0.00 0.00 -ATOM 1659 H2 H2O C 553 11.565 19.298 53.589 0.00 0.00 -ATOM 1660 O1 H2O C 554 13.935 14.925 48.423 0.00 0.00 -ATOM 1661 H1 H2O C 554 14.907 15.021 48.639 0.00 0.00 -ATOM 1662 H2 H2O C 554 13.663 15.647 47.787 0.00 0.00 -ATOM 1663 O1 H2O C 555 24.814 22.431 46.358 0.00 0.00 -ATOM 1664 H1 H2O C 555 24.301 21.573 46.396 0.00 0.00 -ATOM 1665 H2 H2O C 555 24.179 23.201 46.420 0.00 0.00 -ATOM 1666 O1 H2O C 556 21.439 27.582 34.615 0.00 0.00 -ATOM 1667 H1 H2O C 556 20.656 27.905 35.147 0.00 0.00 -ATOM 1668 H2 H2O C 556 21.388 27.954 33.688 0.00 0.00 -ATOM 1669 O1 H2O C 557 28.597 13.327 21.499 0.00 0.00 -ATOM 1670 H1 H2O C 557 29.220 14.075 21.726 0.00 0.00 -ATOM 1671 H2 H2O C 557 29.115 12.571 21.099 0.00 0.00 -ATOM 1672 O1 H2O C 558 55.921 13.428 49.015 0.00 0.00 -ATOM 1673 H1 H2O C 558 55.807 12.505 48.646 0.00 0.00 -ATOM 1674 H2 H2O C 558 55.217 13.600 49.704 0.00 0.00 -ATOM 1675 O1 H2O C 559 56.029 10.666 11.810 0.00 0.00 -ATOM 1676 H1 H2O C 559 56.620 11.354 11.389 0.00 0.00 -ATOM 1677 H2 H2O C 559 56.379 10.436 12.718 0.00 0.00 -ATOM 1678 O1 H2O C 560 20.557 17.841 58.143 0.00 0.00 -ATOM 1679 H1 H2O C 560 20.910 18.775 58.182 0.00 0.00 -ATOM 1680 H2 H2O C 560 20.715 17.462 57.231 0.00 0.00 -ATOM 1681 O1 H2O C 561 9.984 6.620 33.881 0.00 0.00 -ATOM 1682 H1 H2O C 561 9.707 5.721 33.541 0.00 0.00 -ATOM 1683 H2 H2O C 561 10.823 6.530 34.418 0.00 0.00 -ATOM 1684 O1 H2O C 562 17.163 37.058 4.462 0.00 0.00 -ATOM 1685 H1 H2O C 562 16.381 37.496 4.907 0.00 0.00 -ATOM 1686 H2 H2O C 562 17.609 36.439 5.108 0.00 0.00 -ATOM 1687 O1 H2O C 563 5.735 18.669 35.044 0.00 0.00 -ATOM 1688 H1 H2O C 563 6.104 19.048 34.196 0.00 0.00 -ATOM 1689 H2 H2O C 563 4.773 18.927 35.133 0.00 0.00 -ATOM 1690 O1 H2O C 564 35.168 51.705 45.753 0.00 0.00 -ATOM 1691 H1 H2O C 564 35.302 52.649 45.449 0.00 0.00 -ATOM 1692 H2 H2O C 564 35.484 51.611 46.697 0.00 0.00 -ATOM 1693 O1 H2O C 565 8.744 13.287 59.741 0.00 0.00 -ATOM 1694 H1 H2O C 565 9.702 13.252 60.025 0.00 0.00 -ATOM 1695 H2 H2O C 565 8.592 14.098 59.177 0.00 0.00 -ATOM 1696 O1 H2O C 566 6.765 19.911 12.809 0.00 0.00 -ATOM 1697 H1 H2O C 566 5.965 20.468 13.033 0.00 0.00 -ATOM 1698 H2 H2O C 566 7.060 20.112 11.874 0.00 0.00 -ATOM 1699 O1 H2O C 567 32.269 7.030 14.081 0.00 0.00 -ATOM 1700 H1 H2O C 567 31.926 7.760 13.490 0.00 0.00 -ATOM 1701 H2 H2O C 567 32.321 7.361 15.024 0.00 0.00 -ATOM 1702 O1 H2O C 568 48.003 54.540 56.679 0.00 0.00 -ATOM 1703 H1 H2O C 568 47.932 54.526 55.681 0.00 0.00 -ATOM 1704 H2 H2O C 568 47.401 55.251 57.045 0.00 0.00 -ATOM 1705 O1 H2O C 569 48.558 4.233 28.723 0.00 0.00 -ATOM 1706 H1 H2O C 569 48.431 4.458 29.689 0.00 0.00 -ATOM 1707 H2 H2O C 569 48.606 3.240 28.615 0.00 0.00 -ATOM 1708 O1 H2O C 570 18.766 26.057 2.082 0.00 0.00 -ATOM 1709 H1 H2O C 570 19.634 26.176 1.600 0.00 0.00 -ATOM 1710 H2 H2O C 570 18.024 25.975 1.417 0.00 0.00 -ATOM 1711 O1 H2O C 571 43.587 15.821 55.988 0.00 0.00 -ATOM 1712 H1 H2O C 571 44.155 16.448 56.521 0.00 0.00 -ATOM 1713 H2 H2O C 571 44.122 15.451 55.229 0.00 0.00 -ATOM 1714 O1 H2O C 572 12.476 20.278 2.467 0.00 0.00 -ATOM 1715 H1 H2O C 572 12.573 20.537 1.506 0.00 0.00 -ATOM 1716 H2 H2O C 572 11.511 20.315 2.726 0.00 0.00 -ATOM 1717 O1 H2O C 573 10.983 11.414 18.468 0.00 0.00 -ATOM 1718 H1 H2O C 573 11.739 11.226 19.094 0.00 0.00 -ATOM 1719 H2 H2O C 573 10.433 12.168 18.826 0.00 0.00 -ATOM 1720 O1 H2O C 574 29.066 55.560 58.719 0.00 0.00 -ATOM 1721 H1 H2O C 574 28.394 56.165 58.291 0.00 0.00 -ATOM 1722 H2 H2O C 574 28.591 54.834 59.216 0.00 0.00 -ATOM 1723 O1 H2O C 575 26.005 17.840 38.046 0.00 0.00 -ATOM 1724 H1 H2O C 575 25.338 18.456 38.463 0.00 0.00 -ATOM 1725 H2 H2O C 575 25.954 17.917 37.050 0.00 0.00 -ATOM 1726 O1 H2O C 576 45.353 35.408 3.646 0.00 0.00 -ATOM 1727 H1 H2O C 576 45.265 35.353 4.641 0.00 0.00 -ATOM 1728 H2 H2O C 576 44.609 35.964 3.276 0.00 0.00 -ATOM 1729 O1 H2O C 577 11.148 26.310 26.689 0.00 0.00 -ATOM 1730 H1 H2O C 577 10.880 26.809 25.865 0.00 0.00 -ATOM 1731 H2 H2O C 577 12.069 25.939 26.569 0.00 0.00 -ATOM 1732 O1 H2O C 578 24.466 40.287 4.112 0.00 0.00 -ATOM 1733 H1 H2O C 578 23.680 40.901 4.192 0.00 0.00 -ATOM 1734 H2 H2O C 578 24.375 39.541 4.771 0.00 0.00 -ATOM 1735 O1 H2O C 579 44.875 20.415 22.462 0.00 0.00 -ATOM 1736 H1 H2O C 579 45.233 19.840 23.198 0.00 0.00 -ATOM 1737 H2 H2O C 579 44.126 20.978 22.813 0.00 0.00 -ATOM 1738 O1 H2O C 580 33.406 28.498 46.621 0.00 0.00 -ATOM 1739 H1 H2O C 580 32.948 28.078 45.837 0.00 0.00 -ATOM 1740 H2 H2O C 580 32.777 28.525 47.398 0.00 0.00 -ATOM 1741 O1 H2O C 581 1.387 56.914 41.315 0.00 0.00 -ATOM 1742 H1 H2O C 581 2.358 56.678 41.366 0.00 0.00 -ATOM 1743 H2 H2O C 581 0.871 56.128 40.973 0.00 0.00 -ATOM 1744 O1 H2O C 582 32.291 54.966 45.031 0.00 0.00 -ATOM 1745 H1 H2O C 582 31.684 54.564 45.717 0.00 0.00 -ATOM 1746 H2 H2O C 582 32.881 55.646 45.465 0.00 0.00 -ATOM 1747 O1 H2O C 583 59.259 41.612 0.454 0.00 0.00 -ATOM 1748 H1 H2O C 583 59.996 41.874 1.077 0.00 0.00 -ATOM 1749 H2 H2O C 583 58.707 40.891 0.874 0.00 0.00 -ATOM 1750 O1 H2O C 584 46.876 8.878 16.180 0.00 0.00 -ATOM 1751 H1 H2O C 584 45.979 8.502 16.414 0.00 0.00 -ATOM 1752 H2 H2O C 584 46.762 9.790 15.785 0.00 0.00 -ATOM 1753 O1 H2O C 585 25.697 4.520 9.948 0.00 0.00 -ATOM 1754 H1 H2O C 585 26.069 5.268 9.399 0.00 0.00 -ATOM 1755 H2 H2O C 585 26.078 4.562 10.871 0.00 0.00 -ATOM 1756 O1 H2O C 586 14.666 12.811 41.930 0.00 0.00 -ATOM 1757 H1 H2O C 586 15.500 12.358 41.615 0.00 0.00 -ATOM 1758 H2 H2O C 586 14.053 12.959 41.154 0.00 0.00 -ATOM 1759 O1 H2O C 587 3.243 12.627 59.284 0.00 0.00 -ATOM 1760 H1 H2O C 587 3.750 13.023 60.050 0.00 0.00 -ATOM 1761 H2 H2O C 587 2.357 12.294 59.606 0.00 0.00 -ATOM 1762 O1 H2O C 588 45.256 2.844 57.975 0.00 0.00 -ATOM 1763 H1 H2O C 588 45.167 1.849 57.942 0.00 0.00 -ATOM 1764 H2 H2O C 588 44.998 3.231 57.089 0.00 0.00 -ATOM 1765 O1 H2O C 589 52.894 49.294 41.539 0.00 0.00 -ATOM 1766 H1 H2O C 589 52.617 48.347 41.699 0.00 0.00 -ATOM 1767 H2 H2O C 589 53.735 49.308 40.997 0.00 0.00 -ATOM 1768 O1 H2O C 590 51.186 40.466 22.414 0.00 0.00 -ATOM 1769 H1 H2O C 590 50.864 41.098 21.709 0.00 0.00 -ATOM 1770 H2 H2O C 590 51.456 40.982 23.227 0.00 0.00 -ATOM 1771 O1 H2O C 591 13.834 46.372 0.177 0.00 0.00 -ATOM 1772 H1 H2O C 591 13.753 46.363 1.174 0.00 0.00 -ATOM 1773 H2 H2O C 591 13.558 45.483 -0.188 0.00 0.00 -ATOM 1774 O1 H2O C 592 5.423 32.640 45.512 0.00 0.00 -ATOM 1775 H1 H2O C 592 6.166 33.272 45.734 0.00 0.00 -ATOM 1776 H2 H2O C 592 4.720 33.123 44.990 0.00 0.00 -ATOM 1777 O1 H2O C 593 45.662 8.135 53.816 0.00 0.00 -ATOM 1778 H1 H2O C 593 45.699 8.802 54.560 0.00 0.00 -ATOM 1779 H2 H2O C 593 45.136 8.514 53.055 0.00 0.00 -ATOM 1780 O1 H2O C 594 30.143 41.249 11.451 0.00 0.00 -ATOM 1781 H1 H2O C 594 30.910 41.290 12.092 0.00 0.00 -ATOM 1782 H2 H2O C 594 29.807 40.309 11.395 0.00 0.00 -ATOM 1783 O1 H2O C 595 32.109 13.068 52.982 0.00 0.00 -ATOM 1784 H1 H2O C 595 32.261 12.670 53.887 0.00 0.00 -ATOM 1785 H2 H2O C 595 31.784 14.008 53.082 0.00 0.00 -ATOM 1786 O1 H2O C 596 41.554 6.866 43.533 0.00 0.00 -ATOM 1787 H1 H2O C 596 41.439 7.123 44.493 0.00 0.00 -ATOM 1788 H2 H2O C 596 42.449 7.175 43.211 0.00 0.00 -ATOM 1789 O1 H2O C 597 11.045 48.575 59.280 0.00 0.00 -ATOM 1790 H1 H2O C 597 11.030 48.015 60.108 0.00 0.00 -ATOM 1791 H2 H2O C 597 11.530 49.430 59.465 0.00 0.00 -ATOM 1792 O1 H2O C 598 17.161 35.489 20.744 0.00 0.00 -ATOM 1793 H1 H2O C 598 16.358 35.938 21.135 0.00 0.00 -ATOM 1794 H2 H2O C 598 17.800 35.253 21.476 0.00 0.00 -ATOM 1795 O1 H2O C 599 54.682 1.878 34.610 0.00 0.00 -ATOM 1796 H1 H2O C 599 53.703 2.077 34.650 0.00 0.00 -ATOM 1797 H2 H2O C 599 55.073 2.292 33.788 0.00 0.00 -ATOM 1798 O1 H2O C 600 35.747 13.784 44.847 0.00 0.00 -ATOM 1799 H1 H2O C 600 35.638 14.675 44.407 0.00 0.00 -ATOM 1800 H2 H2O C 600 35.473 13.063 44.211 0.00 0.00 -ATOM 1801 O1 H2O C 601 0.485 24.567 6.569 0.00 0.00 -ATOM 1802 H1 H2O C 601 0.818 25.053 7.377 0.00 0.00 -ATOM 1803 H2 H2O C 601 1.141 24.674 5.822 0.00 0.00 -ATOM 1804 O1 H2O C 602 4.265 8.480 46.288 0.00 0.00 -ATOM 1805 H1 H2O C 602 5.222 8.216 46.168 0.00 0.00 -ATOM 1806 H2 H2O C 602 4.016 9.154 45.592 0.00 0.00 -ATOM 1807 O1 H2O C 603 37.965 23.483 9.270 0.00 0.00 -ATOM 1808 H1 H2O C 603 37.764 23.751 10.213 0.00 0.00 -ATOM 1809 H2 H2O C 603 37.344 23.959 8.648 0.00 0.00 -ATOM 1810 O1 H2O C 604 53.091 4.668 5.016 0.00 0.00 -ATOM 1811 H1 H2O C 604 53.088 4.265 4.101 0.00 0.00 -ATOM 1812 H2 H2O C 604 53.551 4.048 5.652 0.00 0.00 -ATOM 1813 O1 H2O C 605 11.953 14.118 9.353 0.00 0.00 -ATOM 1814 H1 H2O C 605 11.285 13.884 10.058 0.00 0.00 -ATOM 1815 H2 H2O C 605 12.755 13.526 9.443 0.00 0.00 -ATOM 1816 O1 H2O C 606 57.216 9.093 48.501 0.00 0.00 -ATOM 1817 H1 H2O C 606 56.328 9.542 48.405 0.00 0.00 -ATOM 1818 H2 H2O C 606 57.474 9.067 49.467 0.00 0.00 -ATOM 1819 O1 H2O C 607 8.248 15.234 41.876 0.00 0.00 -ATOM 1820 H1 H2O C 607 9.240 15.186 41.991 0.00 0.00 -ATOM 1821 H2 H2O C 607 7.907 14.351 41.553 0.00 0.00 -ATOM 1822 O1 H2O C 608 58.680 26.302 21.842 0.00 0.00 -ATOM 1823 H1 H2O C 608 59.218 25.557 21.448 0.00 0.00 -ATOM 1824 H2 H2O C 608 58.681 26.224 22.839 0.00 0.00 -ATOM 1825 O1 H2O C 609 28.422 46.401 28.523 0.00 0.00 -ATOM 1826 H1 H2O C 609 27.635 46.274 29.128 0.00 0.00 -ATOM 1827 H2 H2O C 609 28.223 46.000 27.629 0.00 0.00 -ATOM 1828 O1 H2O C 610 51.458 29.710 25.118 0.00 0.00 -ATOM 1829 H1 H2O C 610 50.526 29.763 25.476 0.00 0.00 -ATOM 1830 H2 H2O C 610 51.489 30.123 24.208 0.00 0.00 -ATOM 1831 O1 H2O C 611 17.644 32.244 30.758 0.00 0.00 -ATOM 1832 H1 H2O C 611 17.970 31.314 30.591 0.00 0.00 -ATOM 1833 H2 H2O C 611 18.413 32.824 31.026 0.00 0.00 -ATOM 1834 O1 H2O C 612 36.752 54.879 2.243 0.00 0.00 -ATOM 1835 H1 H2O C 612 35.906 54.371 2.408 0.00 0.00 -ATOM 1836 H2 H2O C 612 37.504 54.442 2.735 0.00 0.00 -ATOM 1837 O1 H2O C 613 9.315 57.574 24.555 0.00 0.00 -ATOM 1838 H1 H2O C 613 9.127 56.712 25.025 0.00 0.00 -ATOM 1839 H2 H2O C 613 10.165 57.966 24.907 0.00 0.00 -ATOM 1840 O1 H2O C 614 39.613 10.624 9.865 0.00 0.00 -ATOM 1841 H1 H2O C 614 40.013 9.831 10.325 0.00 0.00 -ATOM 1842 H2 H2O C 614 39.112 10.321 9.053 0.00 0.00 -ATOM 1843 O1 H2O C 615 12.681 32.638 49.583 0.00 0.00 -ATOM 1844 H1 H2O C 615 11.802 32.756 50.044 0.00 0.00 -ATOM 1845 H2 H2O C 615 12.670 33.130 48.713 0.00 0.00 -ATOM 1846 O1 H2O C 616 56.771 58.515 58.415 0.00 0.00 -ATOM 1847 H1 H2O C 616 56.600 57.816 57.721 0.00 0.00 -ATOM 1848 H2 H2O C 616 55.967 59.105 58.499 0.00 0.00 -ATOM 1849 O1 H2O C 617 18.864 50.036 26.263 0.00 0.00 -ATOM 1850 H1 H2O C 617 18.476 49.293 26.810 0.00 0.00 -ATOM 1851 H2 H2O C 617 19.585 50.492 26.787 0.00 0.00 -ATOM 1852 O1 H2O C 618 48.198 12.431 3.481 0.00 0.00 -ATOM 1853 H1 H2O C 618 49.181 12.553 3.341 0.00 0.00 -ATOM 1854 H2 H2O C 618 48.010 12.332 4.458 0.00 0.00 -ATOM 1855 O1 H2O C 619 20.551 19.871 43.789 0.00 0.00 -ATOM 1856 H1 H2O C 619 21.106 19.447 43.073 0.00 0.00 -ATOM 1857 H2 H2O C 619 19.601 19.571 43.696 0.00 0.00 -ATOM 1858 O1 H2O C 620 29.121 44.350 53.596 0.00 0.00 -ATOM 1859 H1 H2O C 620 28.471 44.823 53.002 0.00 0.00 -ATOM 1860 H2 H2O C 620 29.029 44.692 54.531 0.00 0.00 -ATOM 1861 O1 H2O C 621 43.033 20.881 15.054 0.00 0.00 -ATOM 1862 H1 H2O C 621 43.865 21.434 15.022 0.00 0.00 -ATOM 1863 H2 H2O C 621 42.547 21.060 15.910 0.00 0.00 -ATOM 1864 O1 H2O C 622 9.852 27.405 53.120 0.00 0.00 -ATOM 1865 H1 H2O C 622 9.089 26.780 53.289 0.00 0.00 -ATOM 1866 H2 H2O C 622 10.132 27.338 52.162 0.00 0.00 -ATOM 1867 O1 H2O C 623 54.335 38.521 32.569 0.00 0.00 -ATOM 1868 H1 H2O C 623 54.081 39.486 32.494 0.00 0.00 -ATOM 1869 H2 H2O C 623 53.897 38.125 33.378 0.00 0.00 -ATOM 1870 O1 H2O C 624 34.070 28.377 36.961 0.00 0.00 -ATOM 1871 H1 H2O C 624 33.074 28.375 37.050 0.00 0.00 -ATOM 1872 H2 H2O C 624 34.486 28.333 37.869 0.00 0.00 -ATOM 1873 O1 H2O C 625 16.406 50.633 22.278 0.00 0.00 -ATOM 1874 H1 H2O C 625 15.452 50.602 21.980 0.00 0.00 -ATOM 1875 H2 H2O C 625 16.693 51.585 22.381 0.00 0.00 -ATOM 1876 O1 H2O C 626 18.345 59.134 23.236 0.00 0.00 -ATOM 1877 H1 H2O C 626 17.395 59.217 23.537 0.00 0.00 -ATOM 1878 H2 H2O C 626 18.749 60.045 23.150 0.00 0.00 -ATOM 1879 O1 H2O C 627 27.992 38.521 27.993 0.00 0.00 -ATOM 1880 H1 H2O C 627 28.420 38.079 28.781 0.00 0.00 -ATOM 1881 H2 H2O C 627 28.623 38.501 27.217 0.00 0.00 -ATOM 1882 O1 H2O C 628 59.549 56.071 22.978 0.00 0.00 -ATOM 1883 H1 H2O C 628 58.982 55.969 22.161 0.00 0.00 -ATOM 1884 H2 H2O C 628 59.281 56.900 23.468 0.00 0.00 -ATOM 1885 O1 H2O C 629 25.835 28.834 28.204 0.00 0.00 -ATOM 1886 H1 H2O C 629 26.083 27.867 28.260 0.00 0.00 -ATOM 1887 H2 H2O C 629 24.847 28.933 28.323 0.00 0.00 -ATOM 1888 O1 H2O C 630 41.700 26.623 5.090 0.00 0.00 -ATOM 1889 H1 H2O C 630 41.833 26.423 6.061 0.00 0.00 -ATOM 1890 H2 H2O C 630 42.557 26.471 4.598 0.00 0.00 -ATOM 1891 O1 H2O C 631 26.258 56.506 12.598 0.00 0.00 -ATOM 1892 H1 H2O C 631 25.381 56.046 12.464 0.00 0.00 -ATOM 1893 H2 H2O C 631 27.003 55.864 12.420 0.00 0.00 -ATOM 1894 O1 H2O C 632 28.928 38.567 52.271 0.00 0.00 -ATOM 1895 H1 H2O C 632 29.018 38.092 53.146 0.00 0.00 -ATOM 1896 H2 H2O C 632 28.436 37.984 51.624 0.00 0.00 -ATOM 1897 O1 H2O C 633 31.089 27.169 41.111 0.00 0.00 -ATOM 1898 H1 H2O C 633 30.157 27.222 40.752 0.00 0.00 -ATOM 1899 H2 H2O C 633 31.069 27.280 42.105 0.00 0.00 -ATOM 1900 O1 H2O C 634 33.896 49.461 17.384 0.00 0.00 -ATOM 1901 H1 H2O C 634 33.941 50.009 16.549 0.00 0.00 -ATOM 1902 H2 H2O C 634 32.956 49.453 17.727 0.00 0.00 -ATOM 1903 O1 H2O C 635 25.009 11.966 21.800 0.00 0.00 -ATOM 1904 H1 H2O C 635 25.087 12.898 21.444 0.00 0.00 -ATOM 1905 H2 H2O C 635 24.239 11.505 21.359 0.00 0.00 -ATOM 1906 O1 H2O C 636 33.384 45.533 17.348 0.00 0.00 -ATOM 1907 H1 H2O C 636 33.977 44.840 17.759 0.00 0.00 -ATOM 1908 H2 H2O C 636 32.461 45.444 17.721 0.00 0.00 -ATOM 1909 O1 H2O C 637 18.086 46.520 26.009 0.00 0.00 -ATOM 1910 H1 H2O C 637 18.795 46.076 25.460 0.00 0.00 -ATOM 1911 H2 H2O C 637 18.186 46.249 26.966 0.00 0.00 -ATOM 1912 O1 H2O C 638 37.534 2.103 24.537 0.00 0.00 -ATOM 1913 H1 H2O C 638 37.819 3.030 24.293 0.00 0.00 -ATOM 1914 H2 H2O C 638 38.064 1.441 24.007 0.00 0.00 -ATOM 1915 O1 H2O C 639 19.021 23.329 17.642 0.00 0.00 -ATOM 1916 H1 H2O C 639 18.502 24.055 17.190 0.00 0.00 -ATOM 1917 H2 H2O C 639 19.340 23.653 18.533 0.00 0.00 -ATOM 1918 O1 H2O C 640 44.534 58.936 22.085 0.00 0.00 -ATOM 1919 H1 H2O C 640 44.341 58.954 23.066 0.00 0.00 -ATOM 1920 H2 H2O C 640 44.947 58.058 21.843 0.00 0.00 -ATOM 1921 O1 H2O C 641 54.633 0.152 14.167 0.00 0.00 -ATOM 1922 H1 H2O C 641 54.663 0.722 13.347 0.00 0.00 -ATOM 1923 H2 H2O C 641 55.312 -0.578 14.091 0.00 0.00 -ATOM 1924 O1 H2O C 642 16.334 57.528 11.313 0.00 0.00 -ATOM 1925 H1 H2O C 642 16.274 58.162 10.542 0.00 0.00 -ATOM 1926 H2 H2O C 642 16.528 56.608 10.974 0.00 0.00 -ATOM 1927 O1 H2O C 643 1.202 59.825 47.398 0.00 0.00 -ATOM 1928 H1 H2O C 643 2.008 59.616 46.845 0.00 0.00 -ATOM 1929 H2 H2O C 643 0.388 59.818 46.818 0.00 0.00 -ATOM 1930 O1 H2O C 644 17.692 16.993 11.972 0.00 0.00 -ATOM 1931 H1 H2O C 644 17.115 16.176 12.001 0.00 0.00 -ATOM 1932 H2 H2O C 644 18.494 16.814 11.400 0.00 0.00 -ATOM 1933 O1 H2O C 645 56.896 53.435 32.664 0.00 0.00 -ATOM 1934 H1 H2O C 645 57.835 53.239 32.944 0.00 0.00 -ATOM 1935 H2 H2O C 645 56.592 54.287 33.090 0.00 0.00 -ATOM 1936 O1 H2O C 646 59.367 21.933 0.471 0.00 0.00 -ATOM 1937 H1 H2O C 646 59.220 21.072 0.958 0.00 0.00 -ATOM 1938 H2 H2O C 646 59.879 21.757 -0.370 0.00 0.00 -ATOM 1939 O1 H2O C 647 47.288 49.263 49.087 0.00 0.00 -ATOM 1940 H1 H2O C 647 46.716 50.062 48.901 0.00 0.00 -ATOM 1941 H2 H2O C 647 47.474 49.208 50.069 0.00 0.00 -ATOM 1942 O1 H2O C 648 27.863 10.369 1.212 0.00 0.00 -ATOM 1943 H1 H2O C 648 27.911 11.287 1.604 0.00 0.00 -ATOM 1944 H2 H2O C 648 27.871 9.691 1.948 0.00 0.00 -ATOM 1945 O1 H2O C 649 51.719 22.937 38.814 0.00 0.00 -ATOM 1946 H1 H2O C 649 51.966 22.875 37.847 0.00 0.00 -ATOM 1947 H2 H2O C 649 51.063 22.216 39.038 0.00 0.00 -ATOM 1948 O1 H2O C 650 38.415 42.035 57.489 0.00 0.00 -ATOM 1949 H1 H2O C 650 37.508 42.037 57.909 0.00 0.00 -ATOM 1950 H2 H2O C 650 39.049 41.520 58.066 0.00 0.00 -ATOM 1951 O1 H2O C 651 52.279 8.776 52.416 0.00 0.00 -ATOM 1952 H1 H2O C 651 52.563 8.669 53.369 0.00 0.00 -ATOM 1953 H2 H2O C 651 51.303 8.573 52.335 0.00 0.00 -ATOM 1954 O1 H2O C 652 58.438 45.476 13.190 0.00 0.00 -ATOM 1955 H1 H2O C 652 58.639 46.403 12.872 0.00 0.00 -ATOM 1956 H2 H2O C 652 59.205 44.874 12.970 0.00 0.00 -ATOM 1957 O1 H2O C 653 33.902 59.497 4.621 0.00 0.00 -ATOM 1958 H1 H2O C 653 34.676 59.970 5.042 0.00 0.00 -ATOM 1959 H2 H2O C 653 34.071 58.511 4.626 0.00 0.00 -ATOM 1960 O1 H2O C 654 53.989 19.508 27.220 0.00 0.00 -ATOM 1961 H1 H2O C 654 54.465 18.904 27.859 0.00 0.00 -ATOM 1962 H2 H2O C 654 54.268 20.454 27.384 0.00 0.00 -ATOM 1963 O1 H2O C 655 58.318 50.103 13.424 0.00 0.00 -ATOM 1964 H1 H2O C 655 57.642 50.208 12.695 0.00 0.00 -ATOM 1965 H2 H2O C 655 58.764 49.212 13.339 0.00 0.00 -ATOM 1966 O1 H2O C 656 28.047 11.677 59.104 0.00 0.00 -ATOM 1967 H1 H2O C 656 27.103 11.911 58.873 0.00 0.00 -ATOM 1968 H2 H2O C 656 28.053 10.924 59.762 0.00 0.00 -ATOM 1969 O1 H2O C 657 20.809 5.967 58.669 0.00 0.00 -ATOM 1970 H1 H2O C 657 21.183 5.077 58.931 0.00 0.00 -ATOM 1971 H2 H2O C 657 20.691 5.999 57.677 0.00 0.00 -ATOM 1972 O1 H2O C 658 48.084 44.704 6.983 0.00 0.00 -ATOM 1973 H1 H2O C 658 47.415 44.175 6.460 0.00 0.00 -ATOM 1974 H2 H2O C 658 48.991 44.585 6.578 0.00 0.00 -ATOM 1975 O1 H2O C 659 36.399 37.785 32.294 0.00 0.00 -ATOM 1976 H1 H2O C 659 36.211 37.440 31.374 0.00 0.00 -ATOM 1977 H2 H2O C 659 36.775 37.048 32.855 0.00 0.00 -ATOM 1978 O1 H2O C 660 46.489 1.992 25.980 0.00 0.00 -ATOM 1979 H1 H2O C 660 46.553 1.630 26.910 0.00 0.00 -ATOM 1980 H2 H2O C 660 45.605 2.445 25.860 0.00 0.00 -ATOM 1981 O1 H2O C 661 51.519 14.637 4.479 0.00 0.00 -ATOM 1982 H1 H2O C 661 50.903 14.073 5.030 0.00 0.00 -ATOM 1983 H2 H2O C 661 52.218 14.056 4.061 0.00 0.00 -ATOM 1984 O1 H2O C 662 26.634 15.849 10.784 0.00 0.00 -ATOM 1985 H1 H2O C 662 25.782 16.128 10.340 0.00 0.00 -ATOM 1986 H2 H2O C 662 26.607 14.867 10.970 0.00 0.00 -ATOM 1987 O1 H2O C 663 10.772 27.841 32.391 0.00 0.00 -ATOM 1988 H1 H2O C 663 10.216 27.087 32.041 0.00 0.00 -ATOM 1989 H2 H2O C 663 11.118 27.606 33.299 0.00 0.00 -ATOM 1990 O1 H2O C 664 47.208 47.089 57.648 0.00 0.00 -ATOM 1991 H1 H2O C 664 47.800 46.912 58.435 0.00 0.00 -ATOM 1992 H2 H2O C 664 47.409 47.997 57.279 0.00 0.00 -ATOM 1993 O1 H2O C 665 2.861 26.328 47.285 0.00 0.00 -ATOM 1994 H1 H2O C 665 1.913 26.212 47.582 0.00 0.00 -ATOM 1995 H2 H2O C 665 2.879 26.561 46.312 0.00 0.00 -ATOM 1996 O1 H2O C 666 29.723 29.735 52.423 0.00 0.00 -ATOM 1997 H1 H2O C 666 30.146 30.394 53.045 0.00 0.00 -ATOM 1998 H2 H2O C 666 28.756 29.959 52.306 0.00 0.00 -ATOM 1999 O1 H2O C 667 1.280 7.964 19.239 0.00 0.00 -ATOM 2000 H1 H2O C 667 0.942 7.468 20.039 0.00 0.00 -ATOM 2001 H2 H2O C 667 1.446 7.319 18.493 0.00 0.00 -ATOM 2002 O1 H2O C 668 39.045 27.383 9.645 0.00 0.00 -ATOM 2003 H1 H2O C 668 38.774 26.953 8.784 0.00 0.00 -ATOM 2004 H2 H2O C 668 38.765 26.803 10.410 0.00 0.00 -ATOM 2005 O1 H2O C 669 14.422 40.867 56.209 0.00 0.00 -ATOM 2006 H1 H2O C 669 13.458 40.740 56.442 0.00 0.00 -ATOM 2007 H2 H2O C 669 14.711 40.144 55.581 0.00 0.00 -ATOM 2008 O1 H2O C 670 1.086 47.153 36.511 0.00 0.00 -ATOM 2009 H1 H2O C 670 0.769 47.197 37.459 0.00 0.00 -ATOM 2010 H2 H2O C 670 2.085 47.110 36.495 0.00 0.00 -ATOM 2011 O1 H2O C 671 7.564 11.322 21.082 0.00 0.00 -ATOM 2012 H1 H2O C 671 6.578 11.405 21.225 0.00 0.00 -ATOM 2013 H2 H2O C 671 7.927 12.192 20.747 0.00 0.00 -ATOM 2014 O1 H2O C 672 57.856 17.184 5.416 0.00 0.00 -ATOM 2015 H1 H2O C 672 58.251 16.654 6.166 0.00 0.00 -ATOM 2016 H2 H2O C 672 57.065 16.699 5.045 0.00 0.00 -ATOM 2017 O1 H2O C 673 55.250 20.945 39.143 0.00 0.00 -ATOM 2018 H1 H2O C 673 56.117 20.516 39.396 0.00 0.00 -ATOM 2019 H2 H2O C 673 54.492 20.408 39.512 0.00 0.00 -ATOM 2020 O1 H2O C 674 49.032 57.144 30.936 0.00 0.00 -ATOM 2021 H1 H2O C 674 49.124 56.473 31.672 0.00 0.00 -ATOM 2022 H2 H2O C 674 49.675 57.894 31.086 0.00 0.00 -ATOM 2023 O1 H2O C 675 44.445 10.407 23.882 0.00 0.00 -ATOM 2024 H1 H2O C 675 45.196 10.285 24.532 0.00 0.00 -ATOM 2025 H2 H2O C 675 43.920 11.221 24.129 0.00 0.00 -ATOM 2026 O1 H2O C 676 23.873 1.878 29.790 0.00 0.00 -ATOM 2027 H1 H2O C 676 24.141 1.272 29.041 0.00 0.00 -ATOM 2028 H2 H2O C 676 23.157 2.501 29.475 0.00 0.00 -ATOM 2029 O1 H2O C 677 39.718 29.328 53.424 0.00 0.00 -ATOM 2030 H1 H2O C 677 40.090 30.001 54.064 0.00 0.00 -ATOM 2031 H2 H2O C 677 39.784 29.684 52.491 0.00 0.00 -ATOM 2032 O1 H2O C 678 54.879 9.485 18.137 0.00 0.00 -ATOM 2033 H1 H2O C 678 54.817 8.557 18.503 0.00 0.00 -ATOM 2034 H2 H2O C 678 55.815 9.662 17.834 0.00 0.00 -ATOM 2035 O1 H2O C 679 48.069 18.041 34.490 0.00 0.00 -ATOM 2036 H1 H2O C 679 47.437 17.299 34.714 0.00 0.00 -ATOM 2037 H2 H2O C 679 48.972 17.660 34.292 0.00 0.00 -ATOM 2038 O1 H2O C 680 19.024 22.548 36.950 0.00 0.00 -ATOM 2039 H1 H2O C 680 19.165 22.602 37.939 0.00 0.00 -ATOM 2040 H2 H2O C 680 19.859 22.210 36.514 0.00 0.00 -ATOM 2041 O1 H2O C 681 28.203 54.321 36.075 0.00 0.00 -ATOM 2042 H1 H2O C 681 27.331 53.835 36.029 0.00 0.00 -ATOM 2043 H2 H2O C 681 28.172 55.119 35.472 0.00 0.00 -ATOM 2044 O1 H2O C 682 8.772 19.436 15.672 0.00 0.00 -ATOM 2045 H1 H2O C 682 9.540 19.253 15.057 0.00 0.00 -ATOM 2046 H2 H2O C 682 7.959 19.657 15.133 0.00 0.00 -ATOM 2047 O1 H2O C 683 18.906 5.558 33.499 0.00 0.00 -ATOM 2048 H1 H2O C 683 19.089 6.489 33.815 0.00 0.00 -ATOM 2049 H2 H2O C 683 19.768 5.059 33.414 0.00 0.00 -ATOM 2050 O1 H2O C 684 43.756 37.290 40.897 0.00 0.00 -ATOM 2051 H1 H2O C 684 44.629 37.252 40.411 0.00 0.00 -ATOM 2052 H2 H2O C 684 43.035 36.913 40.317 0.00 0.00 -ATOM 2053 O1 H2O C 685 47.489 34.228 50.150 0.00 0.00 -ATOM 2054 H1 H2O C 685 47.794 34.509 51.060 0.00 0.00 -ATOM 2055 H2 H2O C 685 47.400 33.232 50.121 0.00 0.00 -ATOM 2056 O1 H2O C 686 33.171 26.015 21.247 0.00 0.00 -ATOM 2057 H1 H2O C 686 32.349 26.249 21.768 0.00 0.00 -ATOM 2058 H2 H2O C 686 32.905 25.629 20.363 0.00 0.00 -ATOM 2059 O1 H2O C 687 50.763 23.198 11.030 0.00 0.00 -ATOM 2060 H1 H2O C 687 51.584 23.643 11.388 0.00 0.00 -ATOM 2061 H2 H2O C 687 50.109 23.058 11.773 0.00 0.00 -ATOM 2062 O1 H2O C 688 27.836 51.518 18.030 0.00 0.00 -ATOM 2063 H1 H2O C 688 27.151 51.289 17.338 0.00 0.00 -ATOM 2064 H2 H2O C 688 27.416 51.491 18.937 0.00 0.00 -ATOM 2065 O1 H2O C 689 49.314 48.735 26.175 0.00 0.00 -ATOM 2066 H1 H2O C 689 48.776 48.095 25.626 0.00 0.00 -ATOM 2067 H2 H2O C 689 49.835 49.336 25.569 0.00 0.00 -ATOM 2068 O1 H2O C 690 44.833 5.543 10.734 0.00 0.00 -ATOM 2069 H1 H2O C 690 44.491 4.671 11.086 0.00 0.00 -ATOM 2070 H2 H2O C 690 45.094 6.131 11.501 0.00 0.00 -ATOM 2071 O1 H2O C 691 20.441 32.154 36.204 0.00 0.00 -ATOM 2072 H1 H2O C 691 21.158 31.487 36.407 0.00 0.00 -ATOM 2073 H2 H2O C 691 19.764 31.741 35.596 0.00 0.00 -ATOM 2074 O1 H2O C 692 19.167 27.976 29.520 0.00 0.00 -ATOM 2075 H1 H2O C 692 18.824 28.248 28.621 0.00 0.00 -ATOM 2076 H2 H2O C 692 19.810 27.217 29.417 0.00 0.00 -ATOM 2077 O1 H2O C 693 11.461 4.214 12.550 0.00 0.00 -ATOM 2078 H1 H2O C 693 11.001 3.336 12.414 0.00 0.00 -ATOM 2079 H2 H2O C 693 11.939 4.207 13.428 0.00 0.00 -ATOM 2080 O1 H2O C 694 41.961 5.335 10.544 0.00 0.00 -ATOM 2081 H1 H2O C 694 41.771 5.306 11.525 0.00 0.00 -ATOM 2082 H2 H2O C 694 42.215 4.422 10.226 0.00 0.00 -ATOM 2083 O1 H2O C 695 51.196 33.293 44.545 0.00 0.00 -ATOM 2084 H1 H2O C 695 50.579 32.876 45.212 0.00 0.00 -ATOM 2085 H2 H2O C 695 51.201 34.285 44.671 0.00 0.00 -ATOM 2086 O1 H2O C 696 25.891 55.397 17.370 0.00 0.00 -ATOM 2087 H1 H2O C 696 25.427 56.283 17.394 0.00 0.00 -ATOM 2088 H2 H2O C 696 25.979 55.092 16.421 0.00 0.00 -ATOM 2089 O1 H2O C 697 25.751 9.031 47.038 0.00 0.00 -ATOM 2090 H1 H2O C 697 25.106 9.203 47.783 0.00 0.00 -ATOM 2091 H2 H2O C 697 26.561 8.570 47.400 0.00 0.00 -ATOM 2092 O1 H2O C 698 9.095 8.106 32.763 0.00 0.00 -ATOM 2093 H1 H2O C 698 10.076 8.109 32.570 0.00 0.00 -ATOM 2094 H2 H2O C 698 8.931 7.666 33.647 0.00 0.00 -ATOM 2095 O1 H2O C 699 21.893 52.855 58.006 0.00 0.00 -ATOM 2096 H1 H2O C 699 22.738 52.841 58.541 0.00 0.00 -ATOM 2097 H2 H2O C 699 21.523 53.784 57.992 0.00 0.00 -ATOM 2098 O1 H2O C 700 45.795 21.284 27.545 0.00 0.00 -ATOM 2099 H1 H2O C 700 45.604 20.797 28.399 0.00 0.00 -ATOM 2100 H2 H2O C 700 46.339 22.100 27.743 0.00 0.00 -ATOM 2101 O1 H2O C 701 13.728 50.119 6.824 0.00 0.00 -ATOM 2102 H1 H2O C 701 13.326 51.019 6.989 0.00 0.00 -ATOM 2103 H2 H2O C 701 14.087 49.751 7.681 0.00 0.00 -ATOM 2104 O1 H2O C 702 33.415 8.360 29.000 0.00 0.00 -ATOM 2105 H1 H2O C 702 33.444 8.651 29.956 0.00 0.00 -ATOM 2106 H2 H2O C 702 34.304 7.982 28.739 0.00 0.00 -ATOM 2107 O1 H2O C 703 16.090 26.239 36.460 0.00 0.00 -ATOM 2108 H1 H2O C 703 16.947 26.220 35.945 0.00 0.00 -ATOM 2109 H2 H2O C 703 16.284 26.119 37.434 0.00 0.00 -ATOM 2110 O1 H2O C 704 24.788 32.371 52.644 0.00 0.00 -ATOM 2111 H1 H2O C 704 25.072 33.262 52.289 0.00 0.00 -ATOM 2112 H2 H2O C 704 24.572 31.762 51.881 0.00 0.00 -ATOM 2113 O1 H2O C 705 35.695 19.449 2.277 0.00 0.00 -ATOM 2114 H1 H2O C 705 36.385 20.123 2.541 0.00 0.00 -ATOM 2115 H2 H2O C 705 35.637 19.405 1.279 0.00 0.00 -ATOM 2116 O1 H2O C 706 8.948 40.846 48.113 0.00 0.00 -ATOM 2117 H1 H2O C 706 8.415 40.591 47.306 0.00 0.00 -ATOM 2118 H2 H2O C 706 9.096 41.835 48.117 0.00 0.00 -ATOM 2119 O1 H2O C 707 22.453 51.695 15.673 0.00 0.00 -ATOM 2120 H1 H2O C 707 22.987 51.802 16.511 0.00 0.00 -ATOM 2121 H2 H2O C 707 22.116 52.588 15.375 0.00 0.00 -ATOM 2122 O1 H2O C 708 33.177 58.829 33.796 0.00 0.00 -ATOM 2123 H1 H2O C 708 32.443 59.298 34.288 0.00 0.00 -ATOM 2124 H2 H2O C 708 33.904 58.583 34.437 0.00 0.00 -ATOM 2125 O1 H2O C 709 56.499 8.830 35.527 0.00 0.00 -ATOM 2126 H1 H2O C 709 57.465 8.572 35.495 0.00 0.00 -ATOM 2127 H2 H2O C 709 55.935 8.036 35.301 0.00 0.00 -ATOM 2128 O1 H2O C 710 29.049 59.950 14.018 0.00 0.00 -ATOM 2129 H1 H2O C 710 28.311 60.622 14.084 0.00 0.00 -ATOM 2130 H2 H2O C 710 28.690 59.040 14.223 0.00 0.00 -ATOM 2131 O1 H2O C 711 20.198 20.391 16.805 0.00 0.00 -ATOM 2132 H1 H2O C 711 20.071 19.770 17.579 0.00 0.00 -ATOM 2133 H2 H2O C 711 20.916 20.034 16.207 0.00 0.00 -ATOM 2134 O1 H2O C 712 22.569 21.157 38.849 0.00 0.00 -ATOM 2135 H1 H2O C 712 22.945 21.889 38.280 0.00 0.00 -ATOM 2136 H2 H2O C 712 21.641 21.399 39.132 0.00 0.00 -ATOM 2137 O1 H2O C 713 56.220 11.029 46.921 0.00 0.00 -ATOM 2138 H1 H2O C 713 56.798 11.838 47.031 0.00 0.00 -ATOM 2139 H2 H2O C 713 56.660 10.244 47.357 0.00 0.00 -ATOM 2140 O1 H2O C 714 18.155 52.086 20.637 0.00 0.00 -ATOM 2141 H1 H2O C 714 18.489 52.308 19.721 0.00 0.00 -ATOM 2142 H2 H2O C 714 18.842 52.347 21.314 0.00 0.00 -ATOM 2143 O1 H2O C 715 56.526 2.546 49.830 0.00 0.00 -ATOM 2144 H1 H2O C 715 56.973 1.808 49.324 0.00 0.00 -ATOM 2145 H2 H2O C 715 55.559 2.326 49.955 0.00 0.00 -ATOM 2146 O1 H2O C 716 0.893 43.508 34.051 0.00 0.00 -ATOM 2147 H1 H2O C 716 1.598 44.208 33.938 0.00 0.00 -ATOM 2148 H2 H2O C 716 0.010 43.948 34.215 0.00 0.00 -ATOM 2149 O1 H2O C 717 37.303 9.027 13.812 0.00 0.00 -ATOM 2150 H1 H2O C 717 38.100 8.485 14.078 0.00 0.00 -ATOM 2151 H2 H2O C 717 36.469 8.559 14.105 0.00 0.00 -ATOM 2152 O1 H2O C 718 6.836 42.852 48.891 0.00 0.00 -ATOM 2153 H1 H2O C 718 7.356 43.701 48.793 0.00 0.00 -ATOM 2154 H2 H2O C 718 7.237 42.146 48.307 0.00 0.00 -ATOM 2155 O1 H2O C 719 24.985 39.906 29.398 0.00 0.00 -ATOM 2156 H1 H2O C 719 25.506 39.064 29.261 0.00 0.00 -ATOM 2157 H2 H2O C 719 25.612 40.656 29.607 0.00 0.00 -ATOM 2158 O1 H2O C 720 49.988 45.368 55.192 0.00 0.00 -ATOM 2159 H1 H2O C 720 50.961 45.144 55.134 0.00 0.00 -ATOM 2160 H2 H2O C 720 49.787 45.744 56.097 0.00 0.00 -ATOM 2161 O1 H2O C 721 47.964 16.317 6.454 0.00 0.00 -ATOM 2162 H1 H2O C 721 47.595 15.550 6.980 0.00 0.00 -ATOM 2163 H2 H2O C 721 48.957 16.225 6.381 0.00 0.00 -ATOM 2164 O1 H2O C 722 3.392 59.192 16.130 0.00 0.00 -ATOM 2165 H1 H2O C 722 2.951 59.549 16.953 0.00 0.00 -ATOM 2166 H2 H2O C 722 2.822 58.474 15.730 0.00 0.00 -ATOM 2167 O1 H2O C 723 33.221 42.446 40.679 0.00 0.00 -ATOM 2168 H1 H2O C 723 33.740 43.086 41.246 0.00 0.00 -ATOM 2169 H2 H2O C 723 33.817 41.696 40.392 0.00 0.00 -ATOM 2170 O1 H2O C 724 58.958 0.330 44.258 0.00 0.00 -ATOM 2171 H1 H2O C 724 59.403 0.535 43.387 0.00 0.00 -ATOM 2172 H2 H2O C 724 58.257 -0.370 44.118 0.00 0.00 -ATOM 2173 O1 H2O C 725 8.198 45.477 28.000 0.00 0.00 -ATOM 2174 H1 H2O C 725 8.398 46.347 27.550 0.00 0.00 -ATOM 2175 H2 H2O C 725 7.437 45.027 27.533 0.00 0.00 -ATOM 2176 O1 H2O C 726 33.920 14.862 46.334 0.00 0.00 -ATOM 2177 H1 H2O C 726 33.116 14.395 45.968 0.00 0.00 -ATOM 2178 H2 H2O C 726 34.593 14.185 46.630 0.00 0.00 -ATOM 2179 O1 H2O C 727 3.515 0.181 4.825 0.00 0.00 -ATOM 2180 H1 H2O C 727 3.163 -0.627 4.352 0.00 0.00 -ATOM 2181 H2 H2O C 727 2.874 0.453 5.543 0.00 0.00 -ATOM 2182 O1 H2O C 728 53.087 22.862 48.794 0.00 0.00 -ATOM 2183 H1 H2O C 728 52.761 23.745 48.457 0.00 0.00 -ATOM 2184 H2 H2O C 728 53.637 22.418 48.087 0.00 0.00 -ATOM 2185 O1 H2O C 729 35.529 27.718 55.728 0.00 0.00 -ATOM 2186 H1 H2O C 729 35.517 26.982 55.051 0.00 0.00 -ATOM 2187 H2 H2O C 729 35.111 27.396 56.577 0.00 0.00 -ATOM 2188 O1 H2O C 730 26.026 27.332 55.328 0.00 0.00 -ATOM 2189 H1 H2O C 730 26.993 27.152 55.147 0.00 0.00 -ATOM 2190 H2 H2O C 730 25.465 26.834 54.667 0.00 0.00 -ATOM 2191 O1 H2O C 731 53.250 19.594 41.220 0.00 0.00 -ATOM 2192 H1 H2O C 731 53.722 19.021 41.889 0.00 0.00 -ATOM 2193 H2 H2O C 731 52.415 19.133 40.917 0.00 0.00 -ATOM 2194 O1 H2O C 732 16.708 28.922 45.777 0.00 0.00 -ATOM 2195 H1 H2O C 732 16.516 28.678 44.827 0.00 0.00 -ATOM 2196 H2 H2O C 732 16.745 29.918 45.864 0.00 0.00 -ATOM 2197 O1 H2O C 733 53.621 28.380 0.506 0.00 0.00 -ATOM 2198 H1 H2O C 733 52.721 28.659 0.170 0.00 0.00 -ATOM 2199 H2 H2O C 733 53.862 27.492 0.116 0.00 0.00 -ATOM 2200 O1 H2O C 734 24.717 58.733 46.125 0.00 0.00 -ATOM 2201 H1 H2O C 734 24.964 59.697 46.227 0.00 0.00 -ATOM 2202 H2 H2O C 734 25.449 58.161 46.496 0.00 0.00 -ATOM 2203 O1 H2O C 735 53.965 41.923 26.686 0.00 0.00 -ATOM 2204 H1 H2O C 735 54.205 41.119 27.230 0.00 0.00 -ATOM 2205 H2 H2O C 735 54.356 41.834 25.770 0.00 0.00 -ATOM 2206 O1 H2O C 736 44.918 59.460 25.804 0.00 0.00 -ATOM 2207 H1 H2O C 736 45.374 59.372 26.689 0.00 0.00 -ATOM 2208 H2 H2O C 736 45.559 59.224 25.073 0.00 0.00 -ATOM 2209 O1 H2O C 737 24.848 1.980 12.392 0.00 0.00 -ATOM 2210 H1 H2O C 737 25.571 1.922 11.704 0.00 0.00 -ATOM 2211 H2 H2O C 737 25.000 1.285 13.095 0.00 0.00 -ATOM 2212 O1 H2O C 738 10.785 20.415 27.251 0.00 0.00 -ATOM 2213 H1 H2O C 738 10.094 20.639 27.939 0.00 0.00 -ATOM 2214 H2 H2O C 738 11.406 21.191 27.138 0.00 0.00 -ATOM 2215 O1 H2O C 739 10.201 38.228 14.922 0.00 0.00 -ATOM 2216 H1 H2O C 739 10.651 37.382 14.637 0.00 0.00 -ATOM 2217 H2 H2O C 739 10.040 38.806 14.122 0.00 0.00 -ATOM 2218 O1 H2O C 740 5.367 30.410 53.030 0.00 0.00 -ATOM 2219 H1 H2O C 740 6.280 30.797 53.159 0.00 0.00 -ATOM 2220 H2 H2O C 740 5.270 29.590 53.595 0.00 0.00 -ATOM 2221 O1 H2O C 741 50.364 9.305 39.996 0.00 0.00 -ATOM 2222 H1 H2O C 741 50.878 9.638 39.205 0.00 0.00 -ATOM 2223 H2 H2O C 741 49.538 9.856 40.113 0.00 0.00 -ATOM 2224 O1 H2O C 742 45.545 37.501 28.740 0.00 0.00 -ATOM 2225 H1 H2O C 742 45.112 38.028 29.471 0.00 0.00 -ATOM 2226 H2 H2O C 742 45.831 36.611 29.096 0.00 0.00 -ATOM 2227 O1 H2O C 743 10.808 39.459 36.859 0.00 0.00 -ATOM 2228 H1 H2O C 743 10.117 39.652 37.555 0.00 0.00 -ATOM 2229 H2 H2O C 743 10.403 39.557 35.950 0.00 0.00 -ATOM 2230 O1 H2O C 744 10.038 2.848 37.692 0.00 0.00 -ATOM 2231 H1 H2O C 744 10.570 2.264 37.079 0.00 0.00 -ATOM 2232 H2 H2O C 744 9.119 2.973 37.319 0.00 0.00 -ATOM 2233 O1 H2O C 745 42.621 17.735 3.348 0.00 0.00 -ATOM 2234 H1 H2O C 745 42.726 17.898 4.329 0.00 0.00 -ATOM 2235 H2 H2O C 745 42.975 16.827 3.121 0.00 0.00 -ATOM 2236 O1 H2O C 746 59.963 6.757 55.269 0.00 0.00 -ATOM 2237 H1 H2O C 746 59.282 7.268 54.745 0.00 0.00 -ATOM 2238 H2 H2O C 746 59.733 5.784 55.255 0.00 0.00 -ATOM 2239 O1 H2O C 747 16.406 53.983 46.284 0.00 0.00 -ATOM 2240 H1 H2O C 747 16.374 54.445 47.171 0.00 0.00 -ATOM 2241 H2 H2O C 747 17.196 53.370 46.256 0.00 0.00 -ATOM 2242 O1 H2O C 748 12.936 33.350 24.028 0.00 0.00 -ATOM 2243 H1 H2O C 748 12.834 32.649 24.735 0.00 0.00 -ATOM 2244 H2 H2O C 748 13.254 34.201 24.446 0.00 0.00 -ATOM 2245 O1 H2O C 749 13.385 7.760 15.310 0.00 0.00 -ATOM 2246 H1 H2O C 749 14.368 7.944 15.312 0.00 0.00 -ATOM 2247 H2 H2O C 749 13.226 6.797 15.093 0.00 0.00 -ATOM 2248 O1 H2O C 750 47.700 58.041 59.259 0.00 0.00 -ATOM 2249 H1 H2O C 750 48.355 58.036 60.015 0.00 0.00 -ATOM 2250 H2 H2O C 750 47.883 57.265 58.655 0.00 0.00 -ATOM 2251 O1 H2O C 751 52.412 22.412 11.352 0.00 0.00 -ATOM 2252 H1 H2O C 751 52.914 22.404 12.217 0.00 0.00 -ATOM 2253 H2 H2O C 751 53.032 22.662 10.608 0.00 0.00 -ATOM 2254 O1 H2O C 752 25.400 6.933 22.593 0.00 0.00 -ATOM 2255 H1 H2O C 752 26.349 6.622 22.557 0.00 0.00 -ATOM 2256 H2 H2O C 752 25.013 6.724 23.491 0.00 0.00 -ATOM 2257 O1 H2O C 753 51.054 2.487 31.376 0.00 0.00 -ATOM 2258 H1 H2O C 753 50.088 2.532 31.630 0.00 0.00 -ATOM 2259 H2 H2O C 753 51.346 1.531 31.346 0.00 0.00 -ATOM 2260 O1 H2O C 754 39.218 3.750 44.347 0.00 0.00 -ATOM 2261 H1 H2O C 754 38.838 3.969 45.245 0.00 0.00 -ATOM 2262 H2 H2O C 754 40.153 3.413 44.454 0.00 0.00 -ATOM 2263 O1 H2O C 755 38.335 41.390 18.821 0.00 0.00 -ATOM 2264 H1 H2O C 755 37.416 41.733 18.629 0.00 0.00 -ATOM 2265 H2 H2O C 755 38.876 42.110 19.255 0.00 0.00 -ATOM 2266 O1 H2O C 756 13.658 35.914 58.596 0.00 0.00 -ATOM 2267 H1 H2O C 756 13.723 36.883 58.357 0.00 0.00 -ATOM 2268 H2 H2O C 756 14.187 35.738 59.426 0.00 0.00 -ATOM 2269 O1 H2O C 757 7.774 22.413 28.201 0.00 0.00 -ATOM 2270 H1 H2O C 757 7.691 21.480 27.850 0.00 0.00 -ATOM 2271 H2 H2O C 757 7.543 22.424 29.174 0.00 0.00 -ATOM 2272 O1 H2O C 758 8.722 4.631 2.146 0.00 0.00 -ATOM 2273 H1 H2O C 758 7.968 4.027 1.887 0.00 0.00 -ATOM 2274 H2 H2O C 758 9.585 4.127 2.099 0.00 0.00 -ATOM 2275 O1 H2O C 759 8.901 17.333 19.843 0.00 0.00 -ATOM 2276 H1 H2O C 759 9.864 17.332 19.573 0.00 0.00 -ATOM 2277 H2 H2O C 759 8.329 17.487 19.037 0.00 0.00 -ATOM 2278 O1 H2O C 760 27.231 24.746 7.461 0.00 0.00 -ATOM 2279 H1 H2O C 760 27.522 23.814 7.244 0.00 0.00 -ATOM 2280 H2 H2O C 760 27.142 25.271 6.613 0.00 0.00 -ATOM 2281 O1 H2O C 761 51.786 1.717 20.051 0.00 0.00 -ATOM 2282 H1 H2O C 761 51.394 1.818 20.966 0.00 0.00 -ATOM 2283 H2 H2O C 761 51.087 1.372 19.426 0.00 0.00 -ATOM 2284 O1 H2O C 762 14.853 9.666 24.959 0.00 0.00 -ATOM 2285 H1 H2O C 762 14.238 9.887 25.716 0.00 0.00 -ATOM 2286 H2 H2O C 762 14.316 9.399 24.159 0.00 0.00 -ATOM 2287 O1 H2O C 763 17.669 43.957 14.665 0.00 0.00 -ATOM 2288 H1 H2O C 763 17.296 43.356 13.958 0.00 0.00 -ATOM 2289 H2 H2O C 763 17.184 44.831 14.649 0.00 0.00 -ATOM 2290 O1 H2O C 764 19.015 37.417 10.636 0.00 0.00 -ATOM 2291 H1 H2O C 764 18.069 37.518 10.329 0.00 0.00 -ATOM 2292 H2 H2O C 764 19.604 37.236 9.848 0.00 0.00 -ATOM 2293 O1 H2O C 765 59.028 1.090 15.783 0.00 0.00 -ATOM 2294 H1 H2O C 765 58.981 2.024 16.137 0.00 0.00 -ATOM 2295 H2 H2O C 765 59.971 0.760 15.835 0.00 0.00 -ATOM 2296 O1 H2O C 766 16.807 13.420 13.568 0.00 0.00 -ATOM 2297 H1 H2O C 766 17.326 14.170 13.159 0.00 0.00 -ATOM 2298 H2 H2O C 766 17.336 12.574 13.501 0.00 0.00 -ATOM 2299 O1 H2O C 767 58.720 3.721 54.293 0.00 0.00 -ATOM 2300 H1 H2O C 767 59.212 4.188 55.028 0.00 0.00 -ATOM 2301 H2 H2O C 767 59.325 3.054 53.859 0.00 0.00 -ATOM 2302 O1 H2O C 768 41.817 14.199 17.465 0.00 0.00 -ATOM 2303 H1 H2O C 768 41.399 14.011 16.577 0.00 0.00 -ATOM 2304 H2 H2O C 768 42.749 14.536 17.331 0.00 0.00 -ATOM 2305 O1 H2O C 769 9.654 13.690 16.408 0.00 0.00 -ATOM 2306 H1 H2O C 769 8.703 13.618 16.105 0.00 0.00 -ATOM 2307 H2 H2O C 769 10.228 13.972 15.639 0.00 0.00 -ATOM 2308 O1 H2O C 770 28.522 6.069 52.496 0.00 0.00 -ATOM 2309 H1 H2O C 770 28.192 5.816 53.406 0.00 0.00 -ATOM 2310 H2 H2O C 770 27.832 5.829 51.813 0.00 0.00 -ATOM 2311 O1 H2O C 771 25.887 47.184 57.853 0.00 0.00 -ATOM 2312 H1 H2O C 771 26.310 46.736 58.641 0.00 0.00 -ATOM 2313 H2 H2O C 771 25.457 46.495 57.269 0.00 0.00 -ATOM 2314 O1 H2O C 772 10.138 52.274 36.078 0.00 0.00 -ATOM 2315 H1 H2O C 772 10.375 51.585 35.393 0.00 0.00 -ATOM 2316 H2 H2O C 772 10.488 51.991 36.971 0.00 0.00 -ATOM 2317 O1 H2O C 773 31.562 38.299 25.050 0.00 0.00 -ATOM 2318 H1 H2O C 773 32.178 39.016 25.377 0.00 0.00 -ATOM 2319 H2 H2O C 773 31.785 38.075 24.101 0.00 0.00 -ATOM 2320 O1 H2O C 774 0.803 28.160 56.833 0.00 0.00 -ATOM 2321 H1 H2O C 774 -0.152 28.459 56.844 0.00 0.00 -ATOM 2322 H2 H2O C 774 0.859 27.240 56.447 0.00 0.00 -ATOM 2323 O1 H2O C 775 59.140 56.034 41.149 0.00 0.00 -ATOM 2324 H1 H2O C 775 58.317 55.765 40.650 0.00 0.00 -ATOM 2325 H2 H2O C 775 58.893 56.667 41.883 0.00 0.00 -ATOM 2326 O1 H2O C 776 11.392 53.175 12.215 0.00 0.00 -ATOM 2327 H1 H2O C 776 10.572 52.605 12.271 0.00 0.00 -ATOM 2328 H2 H2O C 776 11.567 53.414 11.261 0.00 0.00 -ATOM 2329 O1 H2O C 777 43.394 46.078 35.035 0.00 0.00 -ATOM 2330 H1 H2O C 777 43.400 45.883 36.016 0.00 0.00 -ATOM 2331 H2 H2O C 777 43.704 45.271 34.533 0.00 0.00 -ATOM 2332 O1 H2O C 778 55.718 6.070 14.831 0.00 0.00 -ATOM 2333 H1 H2O C 778 54.911 6.018 14.243 0.00 0.00 -ATOM 2334 H2 H2O C 778 56.113 6.987 14.774 0.00 0.00 -ATOM 2335 O1 H2O C 779 8.100 49.101 2.078 0.00 0.00 -ATOM 2336 H1 H2O C 779 7.159 49.361 2.294 0.00 0.00 -ATOM 2337 H2 H2O C 779 8.321 49.389 1.147 0.00 0.00 -ATOM 2338 O1 H2O C 780 9.468 6.541 32.995 0.00 0.00 -ATOM 2339 H1 H2O C 780 9.016 5.865 32.413 0.00 0.00 -ATOM 2340 H2 H2O C 780 10.459 6.466 32.887 0.00 0.00 -ATOM 2341 O1 H2O C 781 56.009 23.167 39.506 0.00 0.00 -ATOM 2342 H1 H2O C 781 56.066 23.305 40.495 0.00 0.00 -ATOM 2343 H2 H2O C 781 55.537 22.306 39.317 0.00 0.00 -ATOM 2344 O1 H2O C 782 59.949 18.692 48.208 0.00 0.00 -ATOM 2345 H1 H2O C 782 59.088 18.811 48.702 0.00 0.00 -ATOM 2346 H2 H2O C 782 60.284 17.759 48.341 0.00 0.00 -ATOM 2347 O1 H2O C 783 29.263 46.400 32.170 0.00 0.00 -ATOM 2348 H1 H2O C 783 30.227 46.348 32.434 0.00 0.00 -ATOM 2349 H2 H2O C 783 28.714 46.661 32.964 0.00 0.00 -ATOM 2350 O1 H2O C 784 12.366 1.116 24.536 0.00 0.00 -ATOM 2351 H1 H2O C 784 11.943 0.826 23.677 0.00 0.00 -ATOM 2352 H2 H2O C 784 13.045 0.439 24.819 0.00 0.00 -ATOM 2353 O1 H2O C 785 32.993 30.491 16.215 0.00 0.00 -ATOM 2354 H1 H2O C 785 33.757 30.977 16.637 0.00 0.00 -ATOM 2355 H2 H2O C 785 32.862 29.612 16.675 0.00 0.00 -ATOM 2356 O1 H2O C 786 37.120 17.866 6.790 0.00 0.00 -ATOM 2357 H1 H2O C 786 38.082 18.071 6.613 0.00 0.00 -ATOM 2358 H2 H2O C 786 36.932 17.964 7.767 0.00 0.00 -ATOM 2359 O1 H2O C 787 30.648 57.187 15.179 0.00 0.00 -ATOM 2360 H1 H2O C 787 30.437 56.540 14.447 0.00 0.00 -ATOM 2361 H2 H2O C 787 30.615 56.716 16.060 0.00 0.00 -ATOM 2362 O1 H2O C 788 41.197 52.177 38.706 0.00 0.00 -ATOM 2363 H1 H2O C 788 40.563 52.947 38.767 0.00 0.00 -ATOM 2364 H2 H2O C 788 40.710 51.369 38.373 0.00 0.00 -ATOM 2365 O1 H2O C 789 6.808 18.764 36.443 0.00 0.00 -ATOM 2366 H1 H2O C 789 5.919 18.876 36.887 0.00 0.00 -ATOM 2367 H2 H2O C 789 6.716 18.145 35.663 0.00 0.00 -ATOM 2368 O1 H2O C 790 18.686 45.457 2.881 0.00 0.00 -ATOM 2369 H1 H2O C 790 18.836 44.849 2.102 0.00 0.00 -ATOM 2370 H2 H2O C 790 19.499 45.461 3.463 0.00 0.00 -ATOM 2371 O1 H2O C 791 7.978 15.408 54.871 0.00 0.00 -ATOM 2372 H1 H2O C 791 7.273 15.378 54.162 0.00 0.00 -ATOM 2373 H2 H2O C 791 7.918 14.584 55.435 0.00 0.00 -ATOM 2374 O1 H2O C 792 17.253 44.636 57.185 0.00 0.00 -ATOM 2375 H1 H2O C 792 18.187 44.284 57.125 0.00 0.00 -ATOM 2376 H2 H2O C 792 16.793 44.515 56.306 0.00 0.00 -ATOM 2377 O1 H2O C 793 13.791 45.960 31.951 0.00 0.00 -ATOM 2378 H1 H2O C 793 12.817 45.768 32.069 0.00 0.00 -ATOM 2379 H2 H2O C 793 14.232 46.014 32.847 0.00 0.00 -ATOM 2380 O1 H2O C 794 2.928 6.328 40.287 0.00 0.00 -ATOM 2381 H1 H2O C 794 3.056 5.754 41.096 0.00 0.00 -ATOM 2382 H2 H2O C 794 2.945 7.291 40.556 0.00 0.00 -ATOM 2383 O1 H2O C 795 37.402 12.631 40.334 0.00 0.00 -ATOM 2384 H1 H2O C 795 37.702 12.905 39.420 0.00 0.00 -ATOM 2385 H2 H2O C 795 37.996 11.902 40.674 0.00 0.00 -ATOM 2386 O1 H2O C 796 14.755 59.164 60.084 0.00 0.00 -ATOM 2387 H1 H2O C 796 15.597 59.205 59.546 0.00 0.00 -ATOM 2388 H2 H2O C 796 13.995 58.892 59.493 0.00 0.00 -ATOM 2389 O1 H2O C 797 17.506 8.398 39.450 0.00 0.00 -ATOM 2390 H1 H2O C 797 18.428 8.704 39.688 0.00 0.00 -ATOM 2391 H2 H2O C 797 16.868 9.162 39.542 0.00 0.00 -ATOM 2392 O1 H2O C 798 2.470 45.357 28.013 0.00 0.00 -ATOM 2393 H1 H2O C 798 1.617 45.437 28.530 0.00 0.00 -ATOM 2394 H2 H2O C 798 2.654 44.392 27.824 0.00 0.00 -ATOM 2395 O1 H2O C 799 52.418 10.314 5.371 0.00 0.00 -ATOM 2396 H1 H2O C 799 53.046 9.678 5.819 0.00 0.00 -ATOM 2397 H2 H2O C 799 52.878 10.745 4.595 0.00 0.00 -ATOM 2398 O1 H2O C 800 59.986 1.009 32.223 0.00 0.00 -ATOM 2399 H1 H2O C 800 60.299 0.161 32.650 0.00 0.00 -ATOM 2400 H2 H2O C 800 59.073 1.236 32.562 0.00 0.00 -ATOM 2401 O1 H2O C 801 37.083 23.559 10.285 0.00 0.00 -ATOM 2402 H1 H2O C 801 37.967 23.269 9.919 0.00 0.00 -ATOM 2403 H2 H2O C 801 36.902 24.504 10.011 0.00 0.00 -ATOM 2404 O1 H2O C 802 51.671 43.218 2.664 0.00 0.00 -ATOM 2405 H1 H2O C 802 52.084 44.101 2.889 0.00 0.00 -ATOM 2406 H2 H2O C 802 50.750 43.173 3.049 0.00 0.00 -ATOM 2407 O1 H2O C 803 50.744 45.294 43.666 0.00 0.00 -ATOM 2408 H1 H2O C 803 51.130 46.207 43.794 0.00 0.00 -ATOM 2409 H2 H2O C 803 49.791 45.289 43.969 0.00 0.00 -ATOM 2410 O1 H2O C 804 53.203 2.254 19.724 0.00 0.00 -ATOM 2411 H1 H2O C 804 53.073 2.873 20.499 0.00 0.00 -ATOM 2412 H2 H2O C 804 52.757 2.635 18.914 0.00 0.00 -ATOM 2413 O1 H2O C 805 23.171 31.731 1.266 0.00 0.00 -ATOM 2414 H1 H2O C 805 22.736 31.478 0.402 0.00 0.00 -ATOM 2415 H2 H2O C 805 23.970 32.304 1.081 0.00 0.00 -ATOM 2416 O1 H2O C 806 36.824 34.566 25.903 0.00 0.00 -ATOM 2417 H1 H2O C 806 37.351 34.045 25.230 0.00 0.00 -ATOM 2418 H2 H2O C 806 37.373 35.336 26.229 0.00 0.00 -ATOM 2419 O1 H2O C 807 37.162 51.381 53.626 0.00 0.00 -ATOM 2420 H1 H2O C 807 36.261 51.797 53.749 0.00 0.00 -ATOM 2421 H2 H2O C 807 37.466 50.981 54.491 0.00 0.00 -ATOM 2422 O1 H2O C 808 6.527 32.898 36.081 0.00 0.00 -ATOM 2423 H1 H2O C 808 6.647 33.623 36.759 0.00 0.00 -ATOM 2424 H2 H2O C 808 6.761 33.248 35.174 0.00 0.00 -ATOM 2425 O1 H2O C 809 11.382 14.196 47.573 0.00 0.00 -ATOM 2426 H1 H2O C 809 11.697 14.579 48.441 0.00 0.00 -ATOM 2427 H2 H2O C 809 11.297 13.203 47.658 0.00 0.00 -ATOM 2428 O1 H2O C 810 56.320 48.771 23.519 0.00 0.00 -ATOM 2429 H1 H2O C 810 56.977 49.486 23.763 0.00 0.00 -ATOM 2430 H2 H2O C 810 55.535 48.815 24.138 0.00 0.00 -ATOM 2431 O1 H2O C 811 28.074 11.117 34.705 0.00 0.00 -ATOM 2432 H1 H2O C 811 27.365 10.980 35.397 0.00 0.00 -ATOM 2433 H2 H2O C 811 28.845 10.508 34.891 0.00 0.00 -ATOM 2434 O1 H2O C 812 58.126 42.997 33.328 0.00 0.00 -ATOM 2435 H1 H2O C 812 57.680 42.442 34.031 0.00 0.00 -ATOM 2436 H2 H2O C 812 58.931 42.515 32.983 0.00 0.00 -ATOM 2437 O1 H2O C 813 0.530 25.001 3.557 0.00 0.00 -ATOM 2438 H1 H2O C 813 -0.307 24.502 3.780 0.00 0.00 -ATOM 2439 H2 H2O C 813 0.323 25.975 3.460 0.00 0.00 -ATOM 2440 O1 H2O C 814 28.449 54.180 55.279 0.00 0.00 -ATOM 2441 H1 H2O C 814 29.002 54.670 54.605 0.00 0.00 -ATOM 2442 H2 H2O C 814 27.793 54.811 55.693 0.00 0.00 -ATOM 2443 O1 H2O C 815 49.461 38.384 50.891 0.00 0.00 -ATOM 2444 H1 H2O C 815 49.927 38.576 50.027 0.00 0.00 -ATOM 2445 H2 H2O C 815 48.601 37.909 50.708 0.00 0.00 -ATOM 2446 O1 H2O C 816 4.963 12.166 24.425 0.00 0.00 -ATOM 2447 H1 H2O C 816 5.382 12.454 23.564 0.00 0.00 -ATOM 2448 H2 H2O C 816 3.992 12.402 24.419 0.00 0.00 -ATOM 2449 O1 H2O C 817 20.311 25.996 11.975 0.00 0.00 -ATOM 2450 H1 H2O C 817 21.203 26.431 12.095 0.00 0.00 -ATOM 2451 H2 H2O C 817 19.821 26.439 11.224 0.00 0.00 -ATOM 2452 O1 H2O C 818 39.806 43.933 53.092 0.00 0.00 -ATOM 2453 H1 H2O C 818 38.896 43.531 53.193 0.00 0.00 -ATOM 2454 H2 H2O C 818 40.002 44.516 53.881 0.00 0.00 -ATOM 2455 O1 H2O C 819 39.575 41.764 22.745 0.00 0.00 -ATOM 2456 H1 H2O C 819 39.676 41.222 21.911 0.00 0.00 -ATOM 2457 H2 H2O C 819 38.608 41.977 22.889 0.00 0.00 -ATOM 2458 O1 H2O C 820 27.828 25.908 43.890 0.00 0.00 -ATOM 2459 H1 H2O C 820 27.322 26.517 43.280 0.00 0.00 -ATOM 2460 H2 H2O C 820 27.869 24.993 43.489 0.00 0.00 -ATOM 2461 O1 H2O C 821 29.782 53.465 57.050 0.00 0.00 -ATOM 2462 H1 H2O C 821 30.335 53.146 56.281 0.00 0.00 -ATOM 2463 H2 H2O C 821 28.855 53.097 56.969 0.00 0.00 -ATOM 2464 O1 H2O C 822 11.136 14.299 32.738 0.00 0.00 -ATOM 2465 H1 H2O C 822 11.119 13.642 33.491 0.00 0.00 -ATOM 2466 H2 H2O C 822 12.069 14.634 32.610 0.00 0.00 -ATOM 2467 O1 H2O C 823 5.819 8.969 17.770 0.00 0.00 -ATOM 2468 H1 H2O C 823 6.711 9.164 18.178 0.00 0.00 -ATOM 2469 H2 H2O C 823 5.154 8.787 18.495 0.00 0.00 -ATOM 2470 O1 H2O C 824 36.443 25.465 45.711 0.00 0.00 -ATOM 2471 H1 H2O C 824 36.880 24.690 46.167 0.00 0.00 -ATOM 2472 H2 H2O C 824 35.458 25.307 45.655 0.00 0.00 -ATOM 2473 O1 H2O C 825 36.233 59.349 34.787 0.00 0.00 -ATOM 2474 H1 H2O C 825 35.909 58.510 34.351 0.00 0.00 -ATOM 2475 H2 H2O C 825 36.680 59.928 34.105 0.00 0.00 -ATOM 2476 O1 H2O C 826 59.093 53.925 4.354 0.00 0.00 -ATOM 2477 H1 H2O C 826 59.359 54.627 5.016 0.00 0.00 -ATOM 2478 H2 H2O C 826 59.122 54.309 3.432 0.00 0.00 -ATOM 2479 O1 H2O C 827 59.032 32.646 15.689 0.00 0.00 -ATOM 2480 H1 H2O C 827 58.896 31.830 15.127 0.00 0.00 -ATOM 2481 H2 H2O C 827 59.160 32.375 16.644 0.00 0.00 -ATOM 2482 O1 H2O C 828 28.740 34.207 12.224 0.00 0.00 -ATOM 2483 H1 H2O C 828 28.807 34.939 12.902 0.00 0.00 -ATOM 2484 H2 H2O C 828 29.645 33.806 12.077 0.00 0.00 -ATOM 2485 O1 H2O C 829 51.941 24.500 37.574 0.00 0.00 -ATOM 2486 H1 H2O C 829 51.026 24.711 37.231 0.00 0.00 -ATOM 2487 H2 H2O C 829 52.555 24.329 36.802 0.00 0.00 -ATOM 2488 O1 H2O C 830 10.797 42.111 30.562 0.00 0.00 -ATOM 2489 H1 H2O C 830 10.659 43.101 30.556 0.00 0.00 -ATOM 2490 H2 H2O C 830 11.767 41.910 30.696 0.00 0.00 -ATOM 2491 O1 H2O C 831 13.541 57.154 11.843 0.00 0.00 -ATOM 2492 H1 H2O C 831 14.322 57.729 12.088 0.00 0.00 -ATOM 2493 H2 H2O C 831 12.743 57.731 11.671 0.00 0.00 -ATOM 2494 O1 H2O C 832 13.031 52.335 26.353 0.00 0.00 -ATOM 2495 H1 H2O C 832 13.606 52.148 25.556 0.00 0.00 -ATOM 2496 H2 H2O C 832 13.351 53.167 26.807 0.00 0.00 -ATOM 2497 O1 H2O C 833 43.433 58.892 44.303 0.00 0.00 -ATOM 2498 H1 H2O C 833 43.570 58.761 43.321 0.00 0.00 -ATOM 2499 H2 H2O C 833 43.735 58.074 44.793 0.00 0.00 -ATOM 2500 O1 H2O C 834 34.744 9.457 51.311 0.00 0.00 -ATOM 2501 H1 H2O C 834 34.900 9.432 52.299 0.00 0.00 -ATOM 2502 H2 H2O C 834 34.164 10.239 51.085 0.00 0.00 -ATOM 2503 O1 H2O C 835 46.392 6.274 45.617 0.00 0.00 -ATOM 2504 H1 H2O C 835 47.359 6.526 45.583 0.00 0.00 -ATOM 2505 H2 H2O C 835 46.242 5.634 46.371 0.00 0.00 -ATOM 2506 O1 H2O C 836 29.971 21.199 21.172 0.00 0.00 -ATOM 2507 H1 H2O C 836 29.902 20.704 22.038 0.00 0.00 -ATOM 2508 H2 H2O C 836 29.493 20.689 20.457 0.00 0.00 -ATOM 2509 O1 H2O C 837 49.369 44.787 58.333 0.00 0.00 -ATOM 2510 H1 H2O C 837 49.949 44.553 59.113 0.00 0.00 -ATOM 2511 H2 H2O C 837 49.680 45.649 57.933 0.00 0.00 -ATOM 2512 O1 H2O C 838 11.310 18.511 18.028 0.00 0.00 -ATOM 2513 H1 H2O C 838 12.133 18.039 17.710 0.00 0.00 -ATOM 2514 H2 H2O C 838 10.639 18.546 17.287 0.00 0.00 -ATOM 2515 O1 H2O C 839 15.152 20.318 49.862 0.00 0.00 -ATOM 2516 H1 H2O C 839 15.526 19.396 49.952 0.00 0.00 -ATOM 2517 H2 H2O C 839 15.731 20.855 49.248 0.00 0.00 -ATOM 2518 O1 H2O C 840 41.334 46.531 9.546 0.00 0.00 -ATOM 2519 H1 H2O C 840 42.288 46.783 9.706 0.00 0.00 -ATOM 2520 H2 H2O C 840 41.266 46.001 8.700 0.00 0.00 -ATOM 2521 O1 H2O C 841 17.268 4.115 6.320 0.00 0.00 -ATOM 2522 H1 H2O C 841 16.572 4.596 5.787 0.00 0.00 -ATOM 2523 H2 H2O C 841 17.874 4.781 6.754 0.00 0.00 -ATOM 2524 O1 H2O C 842 48.504 13.898 38.131 0.00 0.00 -ATOM 2525 H1 H2O C 842 48.781 14.731 37.653 0.00 0.00 -ATOM 2526 H2 H2O C 842 48.917 13.104 37.685 0.00 0.00 -ATOM 2527 O1 H2O C 843 32.902 50.947 2.527 0.00 0.00 -ATOM 2528 H1 H2O C 843 33.555 50.806 3.272 0.00 0.00 -ATOM 2529 H2 H2O C 843 33.393 50.982 1.657 0.00 0.00 -ATOM 2530 O1 H2O C 844 16.365 37.531 41.519 0.00 0.00 -ATOM 2531 H1 H2O C 844 15.711 38.104 41.026 0.00 0.00 -ATOM 2532 H2 H2O C 844 17.277 37.652 41.125 0.00 0.00 -ATOM 2533 O1 H2O C 845 2.525 4.913 25.863 0.00 0.00 -ATOM 2534 H1 H2O C 845 1.776 5.185 25.259 0.00 0.00 -ATOM 2535 H2 H2O C 845 3.254 4.495 25.321 0.00 0.00 -ATOM 2536 O1 H2O C 846 49.744 41.863 39.647 0.00 0.00 -ATOM 2537 H1 H2O C 846 49.584 42.334 38.780 0.00 0.00 -ATOM 2538 H2 H2O C 846 48.872 41.714 40.112 0.00 0.00 -ATOM 2539 O1 H2O C 847 5.113 16.296 30.134 0.00 0.00 -ATOM 2540 H1 H2O C 847 5.409 16.689 29.264 0.00 0.00 -ATOM 2541 H2 H2O C 847 5.627 15.458 30.314 0.00 0.00 -ATOM 2542 O1 H2O C 848 55.888 42.255 9.872 0.00 0.00 -ATOM 2543 H1 H2O C 848 55.924 42.084 10.857 0.00 0.00 -ATOM 2544 H2 H2O C 848 56.814 42.413 9.528 0.00 0.00 -ATOM 2545 O1 H2O C 849 27.867 58.863 6.708 0.00 0.00 -ATOM 2546 H1 H2O C 849 27.424 58.023 6.394 0.00 0.00 -ATOM 2547 H2 H2O C 849 27.257 59.640 6.553 0.00 0.00 -ATOM 2548 O1 H2O C 850 59.655 32.755 10.357 0.00 0.00 -ATOM 2549 H1 H2O C 850 59.147 33.502 10.787 0.00 0.00 -ATOM 2550 H2 H2O C 850 59.255 31.880 10.628 0.00 0.00 -ATOM 2551 O1 H2O C 851 59.236 42.622 45.573 0.00 0.00 -ATOM 2552 H1 H2O C 851 60.175 42.744 45.893 0.00 0.00 -ATOM 2553 H2 H2O C 851 59.211 41.903 44.879 0.00 0.00 -ATOM 2554 O1 H2O C 852 2.014 25.313 25.237 0.00 0.00 -ATOM 2555 H1 H2O C 852 2.967 25.016 25.305 0.00 0.00 -ATOM 2556 H2 H2O C 852 1.702 25.212 24.291 0.00 0.00 -ATOM 2557 O1 H2O C 853 57.284 9.619 26.941 0.00 0.00 -ATOM 2558 H1 H2O C 853 57.075 9.293 27.863 0.00 0.00 -ATOM 2559 H2 H2O C 853 56.531 10.189 26.611 0.00 0.00 -ATOM 2560 O1 H2O C 854 53.548 9.026 7.330 0.00 0.00 -ATOM 2561 H1 H2O C 854 52.978 8.586 8.024 0.00 0.00 -ATOM 2562 H2 H2O C 854 53.135 8.897 6.428 0.00 0.00 -ATOM 2563 O1 H2O C 855 50.791 22.743 49.589 0.00 0.00 -ATOM 2564 H1 H2O C 855 50.999 22.302 48.716 0.00 0.00 -ATOM 2565 H2 H2O C 855 50.996 22.113 50.338 0.00 0.00 -ATOM 2566 O1 H2O C 856 11.815 55.486 2.981 0.00 0.00 -ATOM 2567 H1 H2O C 856 11.199 54.765 2.660 0.00 0.00 -ATOM 2568 H2 H2O C 856 11.867 56.210 2.293 0.00 0.00 -ATOM 2569 O1 H2O C 857 42.747 4.856 54.777 0.00 0.00 -ATOM 2570 H1 H2O C 857 42.704 4.409 55.670 0.00 0.00 -ATOM 2571 H2 H2O C 857 43.433 4.401 54.209 0.00 0.00 -ATOM 2572 O1 H2O C 858 28.135 59.505 20.925 0.00 0.00 -ATOM 2573 H1 H2O C 858 27.726 59.871 21.761 0.00 0.00 -ATOM 2574 H2 H2O C 858 27.660 59.881 20.129 0.00 0.00 -ATOM 2575 O1 H2O C 859 34.469 9.942 59.002 0.00 0.00 -ATOM 2576 H1 H2O C 859 34.263 10.693 59.629 0.00 0.00 -ATOM 2577 H2 H2O C 859 33.929 10.046 58.168 0.00 0.00 -ATOM 2578 O1 H2O C 860 6.021 16.364 9.434 0.00 0.00 -ATOM 2579 H1 H2O C 860 5.249 16.552 10.042 0.00 0.00 -ATOM 2580 H2 H2O C 860 5.722 16.439 8.483 0.00 0.00 -ATOM 2581 O1 H2O C 861 21.136 59.409 43.126 0.00 0.00 -ATOM 2582 H1 H2O C 861 20.483 60.023 43.569 0.00 0.00 -ATOM 2583 H2 H2O C 861 21.831 59.948 42.651 0.00 0.00 -ATOM 2584 O1 H2O C 862 26.856 49.106 14.313 0.00 0.00 -ATOM 2585 H1 H2O C 862 26.675 50.080 14.444 0.00 0.00 -ATOM 2586 H2 H2O C 862 27.616 48.992 13.673 0.00 0.00 -ATOM 2587 O1 H2O C 863 49.233 5.451 22.250 0.00 0.00 -ATOM 2588 H1 H2O C 863 49.902 5.517 22.991 0.00 0.00 -ATOM 2589 H2 H2O C 863 49.224 6.306 21.732 0.00 0.00 -ATOM 2590 O1 H2O C 864 52.067 53.692 46.877 0.00 0.00 -ATOM 2591 H1 H2O C 864 52.134 53.909 47.851 0.00 0.00 -ATOM 2592 H2 H2O C 864 52.962 53.401 46.538 0.00 0.00 -ATOM 2593 O1 H2O C 865 30.890 16.120 44.102 0.00 0.00 -ATOM 2594 H1 H2O C 865 30.563 15.281 43.666 0.00 0.00 -ATOM 2595 H2 H2O C 865 31.651 15.903 44.713 0.00 0.00 -ATOM 2596 O1 H2O C 866 13.209 15.452 16.341 0.00 0.00 -ATOM 2597 H1 H2O C 866 12.677 16.243 16.644 0.00 0.00 -ATOM 2598 H2 H2O C 866 14.169 15.713 16.243 0.00 0.00 -ATOM 2599 O1 H2O C 867 24.185 20.461 8.818 0.00 0.00 -ATOM 2600 H1 H2O C 867 24.183 19.666 9.425 0.00 0.00 -ATOM 2601 H2 H2O C 867 23.302 20.927 8.876 0.00 0.00 -ATOM 2602 O1 H2O C 868 53.210 50.474 52.725 0.00 0.00 -ATOM 2603 H1 H2O C 868 52.533 50.582 51.997 0.00 0.00 -ATOM 2604 H2 H2O C 868 52.911 50.977 53.536 0.00 0.00 -ATOM 2605 O1 H2O C 869 33.778 45.447 44.738 0.00 0.00 -ATOM 2606 H1 H2O C 869 33.377 46.363 44.729 0.00 0.00 -ATOM 2607 H2 H2O C 869 34.519 45.413 45.409 0.00 0.00 -ATOM 2608 O1 H2O C 870 21.979 15.844 37.370 0.00 0.00 -ATOM 2609 H1 H2O C 870 22.214 16.265 36.494 0.00 0.00 -ATOM 2610 H2 H2O C 870 21.055 15.464 37.321 0.00 0.00 -ATOM 2611 O1 H2O C 871 17.406 54.395 39.757 0.00 0.00 -ATOM 2612 H1 H2O C 871 18.113 53.970 40.324 0.00 0.00 -ATOM 2613 H2 H2O C 871 16.663 53.743 39.606 0.00 0.00 -ATOM 2614 O1 H2O C 872 31.072 17.115 3.968 0.00 0.00 -ATOM 2615 H1 H2O C 872 31.490 17.946 3.601 0.00 0.00 -ATOM 2616 H2 H2O C 872 31.543 16.314 3.598 0.00 0.00 -ATOM 2617 O1 H2O C 873 41.118 10.537 54.405 0.00 0.00 -ATOM 2618 H1 H2O C 873 41.069 10.838 53.453 0.00 0.00 -ATOM 2619 H2 H2O C 873 41.574 9.648 54.450 0.00 0.00 -ATOM 2620 O1 H2O C 874 50.355 51.903 59.249 0.00 0.00 -ATOM 2621 H1 H2O C 874 50.450 52.214 60.195 0.00 0.00 -ATOM 2622 H2 H2O C 874 50.259 52.695 58.646 0.00 0.00 -ATOM 2623 O1 H2O C 875 29.585 53.658 36.882 0.00 0.00 -ATOM 2624 H1 H2O C 875 29.007 54.453 37.064 0.00 0.00 -ATOM 2625 H2 H2O C 875 29.066 52.822 37.056 0.00 0.00 -ATOM 2626 O1 H2O C 876 0.978 46.306 44.376 0.00 0.00 -ATOM 2627 H1 H2O C 876 0.557 46.039 45.243 0.00 0.00 -ATOM 2628 H2 H2O C 876 1.149 45.490 43.823 0.00 0.00 -ATOM 2629 O1 H2O C 877 48.251 25.858 25.236 0.00 0.00 -ATOM 2630 H1 H2O C 877 48.463 26.813 25.030 0.00 0.00 -ATOM 2631 H2 H2O C 877 49.098 25.329 25.278 0.00 0.00 -ATOM 2632 O1 H2O C 878 51.679 32.936 28.302 0.00 0.00 -ATOM 2633 H1 H2O C 878 51.787 32.693 29.266 0.00 0.00 -ATOM 2634 H2 H2O C 878 51.690 32.106 27.746 0.00 0.00 -ATOM 2635 O1 H2O C 879 12.753 18.490 7.835 0.00 0.00 -ATOM 2636 H1 H2O C 879 13.736 18.550 7.665 0.00 0.00 -ATOM 2637 H2 H2O C 879 12.417 17.598 7.534 0.00 0.00 -ATOM 2638 O1 H2O C 880 42.201 30.282 57.051 0.00 0.00 -ATOM 2639 H1 H2O C 880 43.062 30.049 56.598 0.00 0.00 -ATOM 2640 H2 H2O C 880 41.534 30.577 56.367 0.00 0.00 -ATOM 2641 O1 H2O C 881 12.873 37.983 2.927 0.00 0.00 -ATOM 2642 H1 H2O C 881 12.794 37.970 3.924 0.00 0.00 -ATOM 2643 H2 H2O C 881 11.964 37.905 2.519 0.00 0.00 -ATOM 2644 O1 H2O C 882 7.097 56.401 49.423 0.00 0.00 -ATOM 2645 H1 H2O C 882 7.835 55.773 49.669 0.00 0.00 -ATOM 2646 H2 H2O C 882 6.217 55.936 49.522 0.00 0.00 -ATOM 2647 O1 H2O C 883 7.425 41.920 12.829 0.00 0.00 -ATOM 2648 H1 H2O C 883 7.161 42.343 11.962 0.00 0.00 -ATOM 2649 H2 H2O C 883 6.733 42.121 13.523 0.00 0.00 -ATOM 2650 O1 H2O C 884 11.160 0.699 53.396 0.00 0.00 -ATOM 2651 H1 H2O C 884 10.184 0.641 53.188 0.00 0.00 -ATOM 2652 H2 H2O C 884 11.650 1.051 52.599 0.00 0.00 -ATOM 2653 O1 H2O C 885 2.166 51.580 22.306 0.00 0.00 -ATOM 2654 H1 H2O C 885 2.302 50.609 22.109 0.00 0.00 -ATOM 2655 H2 H2O C 885 1.223 51.732 22.600 0.00 0.00 -ATOM 2656 O1 H2O C 886 10.272 13.225 1.565 0.00 0.00 -ATOM 2657 H1 H2O C 886 11.089 12.802 1.956 0.00 0.00 -ATOM 2658 H2 H2O C 886 9.545 13.245 2.251 0.00 0.00 -ATOM 2659 O1 H2O C 887 0.084 55.396 1.761 0.00 0.00 -ATOM 2660 H1 H2O C 887 -0.568 55.412 2.519 0.00 0.00 -ATOM 2661 H2 H2O C 887 0.946 54.997 2.072 0.00 0.00 -ATOM 2662 O1 H2O C 888 37.539 42.231 42.401 0.00 0.00 -ATOM 2663 H1 H2O C 888 38.168 41.462 42.513 0.00 0.00 -ATOM 2664 H2 H2O C 888 37.734 42.924 43.095 0.00 0.00 -ATOM 2665 O1 H2O C 889 31.261 26.741 11.718 0.00 0.00 -ATOM 2666 H1 H2O C 889 31.682 27.417 11.114 0.00 0.00 -ATOM 2667 H2 H2O C 889 31.106 25.892 11.213 0.00 0.00 -ATOM 2668 O1 H2O C 890 30.493 47.776 16.017 0.00 0.00 -ATOM 2669 H1 H2O C 890 31.038 48.467 15.542 0.00 0.00 -ATOM 2670 H2 H2O C 890 30.831 46.865 15.781 0.00 0.00 -ATOM 2671 O1 H2O C 891 38.107 53.818 34.945 0.00 0.00 -ATOM 2672 H1 H2O C 891 38.729 53.225 35.456 0.00 0.00 -ATOM 2673 H2 H2O C 891 38.073 53.522 33.990 0.00 0.00 -ATOM 2674 O1 H2O C 892 33.166 20.409 13.225 0.00 0.00 -ATOM 2675 H1 H2O C 892 33.546 20.236 14.134 0.00 0.00 -ATOM 2676 H2 H2O C 892 33.359 19.629 12.630 0.00 0.00 -ATOM 2677 O1 H2O C 893 2.467 30.360 56.814 0.00 0.00 -ATOM 2678 H1 H2O C 893 1.619 29.829 56.788 0.00 0.00 -ATOM 2679 H2 H2O C 893 3.086 29.964 57.493 0.00 0.00 -ATOM 2680 O1 H2O C 894 40.794 21.115 45.362 0.00 0.00 -ATOM 2681 H1 H2O C 894 41.634 21.597 45.112 0.00 0.00 -ATOM 2682 H2 H2O C 894 40.498 20.542 44.597 0.00 0.00 -ATOM 2683 O1 H2O C 895 58.201 17.321 38.036 0.00 0.00 -ATOM 2684 H1 H2O C 895 57.322 16.856 37.925 0.00 0.00 -ATOM 2685 H2 H2O C 895 58.610 17.056 38.909 0.00 0.00 -ATOM 2686 O1 H2O C 896 28.304 26.958 5.006 0.00 0.00 -ATOM 2687 H1 H2O C 896 29.298 26.927 4.901 0.00 0.00 -ATOM 2688 H2 H2O C 896 28.062 27.658 5.678 0.00 0.00 -ATOM 2689 O1 H2O C 897 3.277 11.079 4.821 0.00 0.00 -ATOM 2690 H1 H2O C 897 2.312 11.331 4.903 0.00 0.00 -ATOM 2691 H2 H2O C 897 3.502 10.936 3.857 0.00 0.00 -ATOM 2692 O1 H2O C 898 0.357 8.310 17.005 0.00 0.00 -ATOM 2693 H1 H2O C 898 0.356 7.978 17.948 0.00 0.00 -ATOM 2694 H2 H2O C 898 0.987 9.083 16.924 0.00 0.00 -ATOM 2695 O1 H2O C 899 57.244 54.508 6.791 0.00 0.00 -ATOM 2696 H1 H2O C 899 57.604 54.636 7.715 0.00 0.00 -ATOM 2697 H2 H2O C 899 57.748 53.774 6.335 0.00 0.00 -ATOM 2698 O1 H2O C 900 20.368 28.770 21.823 0.00 0.00 -ATOM 2699 H1 H2O C 900 20.048 29.631 22.218 0.00 0.00 -ATOM 2700 H2 H2O C 900 21.192 28.469 22.303 0.00 0.00 -ATOM 2701 O1 H2O C 901 22.198 17.441 6.818 0.00 0.00 -ATOM 2702 H1 H2O C 901 21.398 17.993 6.584 0.00 0.00 -ATOM 2703 H2 H2O C 901 22.696 17.878 7.568 0.00 0.00 -ATOM 2704 O1 H2O C 902 50.597 2.815 19.162 0.00 0.00 -ATOM 2705 H1 H2O C 902 50.479 1.860 18.892 0.00 0.00 -ATOM 2706 H2 H2O C 902 50.782 3.371 18.352 0.00 0.00 -ATOM 2707 O1 H2O C 903 8.030 40.515 13.182 0.00 0.00 -ATOM 2708 H1 H2O C 903 7.431 40.033 13.821 0.00 0.00 -ATOM 2709 H2 H2O C 903 7.625 41.399 12.947 0.00 0.00 -ATOM 2710 O1 H2O C 904 24.910 60.020 18.145 0.00 0.00 -ATOM 2711 H1 H2O C 904 24.810 60.273 17.183 0.00 0.00 -ATOM 2712 H2 H2O C 904 24.074 59.572 18.461 0.00 0.00 -ATOM 2713 O1 H2O C 905 9.275 57.244 12.903 0.00 0.00 -ATOM 2714 H1 H2O C 905 9.205 57.360 13.894 0.00 0.00 -ATOM 2715 H2 H2O C 905 10.239 57.197 12.641 0.00 0.00 -ATOM 2716 O1 H2O C 906 58.042 12.459 22.733 0.00 0.00 -ATOM 2717 H1 H2O C 906 58.254 11.620 23.234 0.00 0.00 -ATOM 2718 H2 H2O C 906 57.065 12.655 22.810 0.00 0.00 -ATOM 2719 O1 H2O C 907 21.993 31.786 58.531 0.00 0.00 -ATOM 2720 H1 H2O C 907 22.528 31.694 59.371 0.00 0.00 -ATOM 2721 H2 H2O C 907 21.172 32.327 58.716 0.00 0.00 -ATOM 2722 O1 H2O C 908 31.688 50.062 52.930 0.00 0.00 -ATOM 2723 H1 H2O C 908 30.991 50.429 52.314 0.00 0.00 -ATOM 2724 H2 H2O C 908 31.414 49.152 53.239 0.00 0.00 -ATOM 2725 O1 H2O C 909 13.626 34.428 39.894 0.00 0.00 -ATOM 2726 H1 H2O C 909 14.571 34.265 40.177 0.00 0.00 -ATOM 2727 H2 H2O C 909 13.616 34.822 38.975 0.00 0.00 -ATOM 2728 O1 H2O C 910 22.569 56.141 50.419 0.00 0.00 -ATOM 2729 H1 H2O C 910 21.597 56.334 50.283 0.00 0.00 -ATOM 2730 H2 H2O C 910 22.671 55.353 51.026 0.00 0.00 -ATOM 2731 O1 H2O C 911 18.426 58.300 39.721 0.00 0.00 -ATOM 2732 H1 H2O C 911 17.835 58.133 40.510 0.00 0.00 -ATOM 2733 H2 H2O C 911 19.360 58.471 40.034 0.00 0.00 -ATOM 2734 O1 H2O C 912 49.683 58.826 45.923 0.00 0.00 -ATOM 2735 H1 H2O C 912 49.933 58.817 44.955 0.00 0.00 -ATOM 2736 H2 H2O C 912 50.501 58.685 46.480 0.00 0.00 -ATOM 2737 O1 H2O C 913 55.243 46.587 16.262 0.00 0.00 -ATOM 2738 H1 H2O C 913 55.930 47.129 16.746 0.00 0.00 -ATOM 2739 H2 H2O C 913 55.161 46.916 15.321 0.00 0.00 -ATOM 2740 O1 H2O C 914 10.770 37.311 42.632 0.00 0.00 -ATOM 2741 H1 H2O C 914 10.019 37.932 42.855 0.00 0.00 -ATOM 2742 H2 H2O C 914 11.503 37.419 43.304 0.00 0.00 -ATOM 2743 O1 H2O C 915 45.472 39.190 20.093 0.00 0.00 -ATOM 2744 H1 H2O C 915 45.238 38.218 20.132 0.00 0.00 -ATOM 2745 H2 H2O C 915 44.665 39.736 20.320 0.00 0.00 -ATOM 2746 O1 H2O C 916 28.185 17.838 0.938 0.00 0.00 -ATOM 2747 H1 H2O C 916 28.113 17.030 1.522 0.00 0.00 -ATOM 2748 H2 H2O C 916 27.809 18.631 1.417 0.00 0.00 -ATOM 2749 O1 H2O C 917 14.011 23.681 28.663 0.00 0.00 -ATOM 2750 H1 H2O C 917 14.977 23.507 28.854 0.00 0.00 -ATOM 2751 H2 H2O C 917 13.915 24.569 28.213 0.00 0.00 -ATOM 2752 O1 H2O C 918 26.420 43.006 13.973 0.00 0.00 -ATOM 2753 H1 H2O C 918 26.994 43.821 14.060 0.00 0.00 -ATOM 2754 H2 H2O C 918 26.387 42.724 13.014 0.00 0.00 -ATOM 2755 O1 H2O C 919 26.465 17.933 35.038 0.00 0.00 -ATOM 2756 H1 H2O C 919 26.184 17.189 35.644 0.00 0.00 -ATOM 2757 H2 H2O C 919 27.316 18.334 35.376 0.00 0.00 -ATOM 2758 O1 H2O C 920 29.834 5.824 12.083 0.00 0.00 -ATOM 2759 H1 H2O C 920 30.654 6.285 11.743 0.00 0.00 -ATOM 2760 H2 H2O C 920 29.801 4.893 11.720 0.00 0.00 -ATOM 2761 O1 H2O C 921 24.943 46.107 2.833 0.00 0.00 -ATOM 2762 H1 H2O C 921 25.348 45.235 3.109 0.00 0.00 -ATOM 2763 H2 H2O C 921 24.541 46.556 3.632 0.00 0.00 -ATOM 2764 O1 H2O C 922 15.907 32.162 47.401 0.00 0.00 -ATOM 2765 H1 H2O C 922 16.350 32.431 46.546 0.00 0.00 -ATOM 2766 H2 H2O C 922 16.605 31.962 48.089 0.00 0.00 -ATOM 2767 O1 H2O C 923 20.964 44.233 57.257 0.00 0.00 -ATOM 2768 H1 H2O C 923 21.595 44.432 58.008 0.00 0.00 -ATOM 2769 H2 H2O C 923 21.383 43.567 56.639 0.00 0.00 -ATOM 2770 O1 H2O C 924 49.318 43.578 33.190 0.00 0.00 -ATOM 2771 H1 H2O C 924 50.015 43.150 32.615 0.00 0.00 -ATOM 2772 H2 H2O C 924 48.863 44.306 32.677 0.00 0.00 -ATOM 2773 O1 H2O C 925 15.397 3.066 28.588 0.00 0.00 -ATOM 2774 H1 H2O C 925 15.168 3.607 27.779 0.00 0.00 -ATOM 2775 H2 H2O C 925 15.453 2.099 28.338 0.00 0.00 -ATOM 2776 O1 H2O C 926 37.389 12.688 43.325 0.00 0.00 -ATOM 2777 H1 H2O C 926 36.748 12.599 42.563 0.00 0.00 -ATOM 2778 H2 H2O C 926 37.185 11.993 44.015 0.00 0.00 -ATOM 2779 O1 H2O C 927 55.807 59.081 51.959 0.00 0.00 -ATOM 2780 H1 H2O C 927 55.096 58.556 51.492 0.00 0.00 -ATOM 2781 H2 H2O C 927 55.697 58.984 52.948 0.00 0.00 -ATOM 2782 O1 H2O C 928 4.780 45.302 39.238 0.00 0.00 -ATOM 2783 H1 H2O C 928 4.614 45.631 38.309 0.00 0.00 -ATOM 2784 H2 H2O C 928 4.225 45.829 39.882 0.00 0.00 -ATOM 2785 O1 H2O C 929 30.137 28.804 28.065 0.00 0.00 -ATOM 2786 H1 H2O C 929 29.662 29.233 28.834 0.00 0.00 -ATOM 2787 H2 H2O C 929 29.755 27.894 27.903 0.00 0.00 -ATOM 2788 O1 H2O C 930 14.190 15.365 19.093 0.00 0.00 -ATOM 2789 H1 H2O C 930 13.377 14.942 19.492 0.00 0.00 -ATOM 2790 H2 H2O C 930 13.922 15.940 18.321 0.00 0.00 -ATOM 2791 O1 H2O C 931 36.491 7.893 21.649 0.00 0.00 -ATOM 2792 H1 H2O C 931 36.712 7.727 20.688 0.00 0.00 -ATOM 2793 H2 H2O C 931 37.240 8.396 22.081 0.00 0.00 -ATOM 2794 O1 H2O C 932 6.604 9.665 52.215 0.00 0.00 -ATOM 2795 H1 H2O C 932 6.697 10.245 53.024 0.00 0.00 -ATOM 2796 H2 H2O C 932 6.218 10.200 51.463 0.00 0.00 -ATOM 2797 O1 H2O C 933 22.436 31.396 50.716 0.00 0.00 -ATOM 2798 H1 H2O C 933 22.344 31.678 49.761 0.00 0.00 -ATOM 2799 H2 H2O C 933 22.044 30.483 50.833 0.00 0.00 -ATOM 2800 O1 H2O C 934 46.817 7.489 19.404 0.00 0.00 -ATOM 2801 H1 H2O C 934 46.098 7.007 18.904 0.00 0.00 -ATOM 2802 H2 H2O C 934 46.449 7.830 20.269 0.00 0.00 -ATOM 2803 O1 H2O C 935 22.320 18.400 26.905 0.00 0.00 -ATOM 2804 H1 H2O C 935 22.830 18.971 27.548 0.00 0.00 -ATOM 2805 H2 H2O C 935 21.343 18.451 27.116 0.00 0.00 -ATOM 2806 O1 H2O C 936 21.454 14.009 7.745 0.00 0.00 -ATOM 2807 H1 H2O C 936 21.724 14.773 8.331 0.00 0.00 -ATOM 2808 H2 H2O C 936 22.152 13.865 7.043 0.00 0.00 -ATOM 2809 O1 H2O C 937 27.505 30.435 46.108 0.00 0.00 -ATOM 2810 H1 H2O C 937 27.563 29.585 45.584 0.00 0.00 -ATOM 2811 H2 H2O C 937 27.730 30.252 47.065 0.00 0.00 -ATOM 2812 O1 H2O C 938 32.577 34.673 15.262 0.00 0.00 -ATOM 2813 H1 H2O C 938 32.246 35.491 15.732 0.00 0.00 -ATOM 2814 H2 H2O C 938 32.853 33.990 15.938 0.00 0.00 -ATOM 2815 O1 H2O C 939 59.676 43.249 20.491 0.00 0.00 -ATOM 2816 H1 H2O C 939 60.505 42.717 20.320 0.00 0.00 -ATOM 2817 H2 H2O C 939 58.906 42.629 20.636 0.00 0.00 -ATOM 2818 O1 H2O C 940 17.854 37.948 31.117 0.00 0.00 -ATOM 2819 H1 H2O C 940 18.449 38.033 30.317 0.00 0.00 -ATOM 2820 H2 H2O C 940 17.702 38.852 31.516 0.00 0.00 -ATOM 2821 O1 H2O C 941 45.588 41.233 29.517 0.00 0.00 -ATOM 2822 H1 H2O C 941 45.766 40.357 29.070 0.00 0.00 -ATOM 2823 H2 H2O C 941 45.618 41.966 28.837 0.00 0.00 -ATOM 2824 O1 H2O C 942 34.082 34.069 7.685 0.00 0.00 -ATOM 2825 H1 H2O C 942 35.064 34.213 7.557 0.00 0.00 -ATOM 2826 H2 H2O C 942 33.793 34.496 8.543 0.00 0.00 -ATOM 2827 O1 H2O C 943 19.220 55.077 18.865 0.00 0.00 -ATOM 2828 H1 H2O C 943 18.403 55.001 18.293 0.00 0.00 -ATOM 2829 H2 H2O C 943 19.747 55.880 18.587 0.00 0.00 -ATOM 2830 O1 H2O C 944 7.392 13.045 24.944 0.00 0.00 -ATOM 2831 H1 H2O C 944 7.766 13.520 25.740 0.00 0.00 -ATOM 2832 H2 H2O C 944 6.412 12.895 25.075 0.00 0.00 -ATOM 2833 O1 H2O C 945 11.765 33.708 53.713 0.00 0.00 -ATOM 2834 H1 H2O C 945 11.305 33.223 54.457 0.00 0.00 -ATOM 2835 H2 H2O C 945 12.751 33.550 53.772 0.00 0.00 -ATOM 2836 O1 H2O C 946 46.994 7.710 42.502 0.00 0.00 -ATOM 2837 H1 H2O C 946 47.566 8.528 42.553 0.00 0.00 -ATOM 2838 H2 H2O C 946 46.310 7.735 43.231 0.00 0.00 -ATOM 2839 O1 H2O C 947 27.662 47.296 47.355 0.00 0.00 -ATOM 2840 H1 H2O C 947 27.616 46.926 48.283 0.00 0.00 -ATOM 2841 H2 H2O C 947 26.867 46.988 46.833 0.00 0.00 -ATOM 2842 O1 H2O C 948 45.538 26.781 50.412 0.00 0.00 -ATOM 2843 H1 H2O C 948 45.200 26.590 49.491 0.00 0.00 -ATOM 2844 H2 H2O C 948 46.211 26.087 50.671 0.00 0.00 -ATOM 2845 O1 H2O C 949 20.455 45.731 1.836 0.00 0.00 -ATOM 2846 H1 H2O C 949 21.216 45.944 2.449 0.00 0.00 -ATOM 2847 H2 H2O C 949 20.077 44.836 2.072 0.00 0.00 -ATOM 2848 O1 H2O C 950 43.660 16.715 7.000 0.00 0.00 -ATOM 2849 H1 H2O C 950 44.277 15.988 6.698 0.00 0.00 -ATOM 2850 H2 H2O C 950 43.663 17.455 6.328 0.00 0.00 -ATOM 2851 O1 H2O C 951 10.774 3.007 57.912 0.00 0.00 -ATOM 2852 H1 H2O C 951 10.657 3.976 57.694 0.00 0.00 -ATOM 2853 H2 H2O C 951 10.275 2.791 58.751 0.00 0.00 -ATOM 2854 O1 H2O C 952 56.643 43.533 8.783 0.00 0.00 -ATOM 2855 H1 H2O C 952 56.297 43.831 9.672 0.00 0.00 -ATOM 2856 H2 H2O C 952 56.873 44.333 8.229 0.00 0.00 -ATOM 2857 O1 H2O C 953 49.486 16.502 56.343 0.00 0.00 -ATOM 2858 H1 H2O C 953 48.733 17.149 56.220 0.00 0.00 -ATOM 2859 H2 H2O C 953 50.083 16.821 57.079 0.00 0.00 -ATOM 2860 O1 H2O C 954 47.056 33.511 27.474 0.00 0.00 -ATOM 2861 H1 H2O C 954 47.876 33.884 27.907 0.00 0.00 -ATOM 2862 H2 H2O C 954 46.355 34.222 27.418 0.00 0.00 -ATOM 2863 O1 H2O C 955 58.511 53.298 3.585 0.00 0.00 -ATOM 2864 H1 H2O C 955 59.235 53.941 3.836 0.00 0.00 -ATOM 2865 H2 H2O C 955 57.988 53.668 2.817 0.00 0.00 -ATOM 2866 O1 H2O C 956 20.932 5.603 39.798 0.00 0.00 -ATOM 2867 H1 H2O C 956 20.441 5.482 38.935 0.00 0.00 -ATOM 2868 H2 H2O C 956 21.845 5.204 39.721 0.00 0.00 -ATOM 2869 O1 H2O C 957 48.470 23.473 33.950 0.00 0.00 -ATOM 2870 H1 H2O C 957 49.151 24.021 34.436 0.00 0.00 -ATOM 2871 H2 H2O C 957 48.317 22.617 34.444 0.00 0.00 -ATOM 2872 O1 H2O C 958 11.484 44.149 24.935 0.00 0.00 -ATOM 2873 H1 H2O C 958 12.161 43.495 24.599 0.00 0.00 -ATOM 2874 H2 H2O C 958 10.701 43.655 25.312 0.00 0.00 -ATOM 2875 O1 H2O C 959 -0.310 40.669 40.902 0.00 0.00 -ATOM 2876 H1 H2O C 959 0.586 40.668 40.458 0.00 0.00 -ATOM 2877 H2 H2O C 959 -0.194 40.559 41.889 0.00 0.00 -ATOM 2878 O1 H2O C 960 59.229 16.103 37.738 0.00 0.00 -ATOM 2879 H1 H2O C 960 59.916 16.148 38.464 0.00 0.00 -ATOM 2880 H2 H2O C 960 59.444 15.344 37.123 0.00 0.00 -ATOM 2881 O1 H2O C 961 6.866 22.876 30.702 0.00 0.00 -ATOM 2882 H1 H2O C 961 6.658 22.159 31.367 0.00 0.00 -ATOM 2883 H2 H2O C 961 7.652 22.601 30.149 0.00 0.00 -ATOM 2884 O1 H2O C 962 7.229 1.982 57.259 0.00 0.00 -ATOM 2885 H1 H2O C 962 7.644 1.835 56.361 0.00 0.00 -ATOM 2886 H2 H2O C 962 7.713 1.437 57.943 0.00 0.00 -ATOM 2887 O1 H2O C 963 54.923 36.590 33.268 0.00 0.00 -ATOM 2888 H1 H2O C 963 55.435 36.129 32.543 0.00 0.00 -ATOM 2889 H2 H2O C 963 55.098 36.133 34.140 0.00 0.00 -ATOM 2890 O1 H2O C 964 28.691 15.883 43.657 0.00 0.00 -ATOM 2891 H1 H2O C 964 29.427 16.559 43.700 0.00 0.00 -ATOM 2892 H2 H2O C 964 27.872 16.255 44.093 0.00 0.00 -ATOM 2893 O1 H2O C 965 1.959 10.533 44.054 0.00 0.00 -ATOM 2894 H1 H2O C 965 1.085 10.422 43.580 0.00 0.00 -ATOM 2895 H2 H2O C 965 2.115 9.747 44.653 0.00 0.00 -ATOM 2896 O1 H2O C 966 32.989 52.159 16.219 0.00 0.00 -ATOM 2897 H1 H2O C 966 32.587 52.697 15.479 0.00 0.00 -ATOM 2898 H2 H2O C 966 33.697 51.558 15.848 0.00 0.00 -ATOM 2899 O1 H2O C 967 5.217 24.661 53.013 0.00 0.00 -ATOM 2900 H1 H2O C 967 6.213 24.750 52.984 0.00 0.00 -ATOM 2901 H2 H2O C 967 4.797 25.510 52.692 0.00 0.00 -ATOM 2902 O1 H2O C 968 17.626 43.321 7.148 0.00 0.00 -ATOM 2903 H1 H2O C 968 18.172 43.458 6.321 0.00 0.00 -ATOM 2904 H2 H2O C 968 18.235 43.188 7.931 0.00 0.00 -ATOM 2905 O1 H2O C 969 29.146 21.444 10.895 0.00 0.00 -ATOM 2906 H1 H2O C 969 28.979 22.420 11.027 0.00 0.00 -ATOM 2907 H2 H2O C 969 28.563 20.918 11.514 0.00 0.00 -ATOM 2908 O1 H2O C 970 32.412 15.921 14.657 0.00 0.00 -ATOM 2909 H1 H2O C 970 33.363 16.172 14.481 0.00 0.00 -ATOM 2910 H2 H2O C 970 32.195 16.090 15.619 0.00 0.00 -ATOM 2911 O1 H2O C 971 52.948 7.501 59.762 0.00 0.00 -ATOM 2912 H1 H2O C 971 51.951 7.452 59.807 0.00 0.00 -ATOM 2913 H2 H2O C 971 53.341 6.658 60.130 0.00 0.00 -ATOM 2914 O1 H2O C 972 50.476 13.270 54.189 0.00 0.00 -ATOM 2915 H1 H2O C 972 49.600 13.277 53.707 0.00 0.00 -ATOM 2916 H2 H2O C 972 50.735 12.327 54.396 0.00 0.00 -ATOM 2917 O1 H2O C 973 21.756 30.103 16.785 0.00 0.00 -ATOM 2918 H1 H2O C 973 21.124 29.494 17.265 0.00 0.00 -ATOM 2919 H2 H2O C 973 22.697 29.830 16.983 0.00 0.00 -ATOM 2920 O1 H2O C 974 39.501 31.155 26.422 0.00 0.00 -ATOM 2921 H1 H2O C 974 39.164 32.000 26.007 0.00 0.00 -ATOM 2922 H2 H2O C 974 38.747 30.685 26.881 0.00 0.00 -ATOM 2923 O1 H2O C 975 2.320 9.854 14.044 0.00 0.00 -ATOM 2924 H1 H2O C 975 2.052 9.059 14.589 0.00 0.00 -ATOM 2925 H2 H2O C 975 1.501 10.322 13.711 0.00 0.00 -ATOM 2926 O1 H2O C 976 32.682 29.688 54.841 0.00 0.00 -ATOM 2927 H1 H2O C 976 33.228 28.893 54.571 0.00 0.00 -ATOM 2928 H2 H2O C 976 33.291 30.418 55.153 0.00 0.00 -ATOM 2929 O1 H2O C 977 15.935 44.363 19.640 0.00 0.00 -ATOM 2930 H1 H2O C 977 16.621 44.913 20.116 0.00 0.00 -ATOM 2931 H2 H2O C 977 15.227 44.962 19.266 0.00 0.00 -ATOM 2932 O1 H2O C 978 42.021 0.102 28.653 0.00 0.00 -ATOM 2933 H1 H2O C 978 42.751 -0.480 29.011 0.00 0.00 -ATOM 2934 H2 H2O C 978 42.244 0.381 27.719 0.00 0.00 -ATOM 2935 O1 H2O C 979 7.400 16.914 24.857 0.00 0.00 -ATOM 2936 H1 H2O C 979 6.697 17.277 25.467 0.00 0.00 -ATOM 2937 H2 H2O C 979 8.302 17.053 25.267 0.00 0.00 -ATOM 2938 O1 H2O C 980 19.202 20.537 37.824 0.00 0.00 -ATOM 2939 H1 H2O C 980 18.204 20.494 37.869 0.00 0.00 -ATOM 2940 H2 H2O C 980 19.488 20.650 36.872 0.00 0.00 -ATOM 2941 O1 H2O C 981 21.086 4.264 58.277 0.00 0.00 -ATOM 2942 H1 H2O C 981 20.893 4.810 57.462 0.00 0.00 -ATOM 2943 H2 H2O C 981 21.950 4.564 58.683 0.00 0.00 -ATOM 2944 O1 H2O C 982 58.747 31.845 55.788 0.00 0.00 -ATOM 2945 H1 H2O C 982 57.800 32.128 55.943 0.00 0.00 -ATOM 2946 H2 H2O C 982 59.267 31.947 56.636 0.00 0.00 -ATOM 2947 O1 H2O C 983 20.514 13.651 0.431 0.00 0.00 -ATOM 2948 H1 H2O C 983 20.263 14.403 -0.178 0.00 0.00 -ATOM 2949 H2 H2O C 983 21.477 13.734 0.685 0.00 0.00 -ATOM 2950 O1 H2O C 984 29.785 3.105 21.228 0.00 0.00 -ATOM 2951 H1 H2O C 984 29.054 3.058 20.547 0.00 0.00 -ATOM 2952 H2 H2O C 984 30.650 3.322 20.775 0.00 0.00 -ATOM 2953 O1 H2O C 985 34.904 38.442 2.478 0.00 0.00 -ATOM 2954 H1 H2O C 985 35.138 38.980 1.668 0.00 0.00 -ATOM 2955 H2 H2O C 985 35.658 38.480 3.133 0.00 0.00 -ATOM 2956 O1 H2O C 986 28.230 12.471 32.094 0.00 0.00 -ATOM 2957 H1 H2O C 986 27.936 12.067 32.960 0.00 0.00 -ATOM 2958 H2 H2O C 986 29.211 12.659 32.129 0.00 0.00 -ATOM 2959 O1 H2O C 987 12.871 3.532 9.893 0.00 0.00 -ATOM 2960 H1 H2O C 987 12.871 2.593 10.236 0.00 0.00 -ATOM 2961 H2 H2O C 987 13.379 4.118 10.525 0.00 0.00 -ATOM 2962 O1 H2O C 988 40.425 21.590 56.524 0.00 0.00 -ATOM 2963 H1 H2O C 988 40.491 22.546 56.809 0.00 0.00 -ATOM 2964 H2 H2O C 988 40.034 21.048 57.268 0.00 0.00 -ATOM 2965 O1 H2O C 989 11.683 16.842 9.474 0.00 0.00 -ATOM 2966 H1 H2O C 989 12.000 17.655 8.987 0.00 0.00 -ATOM 2967 H2 H2O C 989 12.373 16.121 9.404 0.00 0.00 -ATOM 2968 O1 H2O C 990 54.300 22.881 27.500 0.00 0.00 -ATOM 2969 H1 H2O C 990 53.848 23.519 28.124 0.00 0.00 -ATOM 2970 H2 H2O C 990 53.625 22.495 26.871 0.00 0.00 -ATOM 2971 O1 H2O C 991 10.340 33.979 45.691 0.00 0.00 -ATOM 2972 H1 H2O C 991 10.542 33.048 45.388 0.00 0.00 -ATOM 2973 H2 H2O C 991 10.538 34.621 44.950 0.00 0.00 -ATOM 2974 O1 H2O C 992 15.010 4.192 46.295 0.00 0.00 -ATOM 2975 H1 H2O C 992 14.711 3.326 45.892 0.00 0.00 -ATOM 2976 H2 H2O C 992 14.846 4.175 47.281 0.00 0.00 -ATOM 2977 O1 H2O C 993 25.597 8.292 29.386 0.00 0.00 -ATOM 2978 H1 H2O C 993 26.005 7.401 29.582 0.00 0.00 -ATOM 2979 H2 H2O C 993 24.646 8.299 29.693 0.00 0.00 -ATOM 2980 O1 H2O C 994 54.594 55.982 36.857 0.00 0.00 -ATOM 2981 H1 H2O C 994 55.155 56.156 37.666 0.00 0.00 -ATOM 2982 H2 H2O C 994 54.906 56.561 36.103 0.00 0.00 -ATOM 2983 O1 H2O C 995 34.482 2.436 39.254 0.00 0.00 -ATOM 2984 H1 H2O C 995 33.599 2.658 38.841 0.00 0.00 -ATOM 2985 H2 H2O C 995 35.213 2.884 38.739 0.00 0.00 -ATOM 2986 O1 H2O C 996 34.994 3.143 1.989 0.00 0.00 -ATOM 2987 H1 H2O C 996 35.532 3.962 2.186 0.00 0.00 -ATOM 2988 H2 H2O C 996 35.585 2.446 1.580 0.00 0.00 -ATOM 2989 O1 H2O C 997 51.067 1.574 25.627 0.00 0.00 -ATOM 2990 H1 H2O C 997 51.789 0.929 25.877 0.00 0.00 -ATOM 2991 H2 H2O C 997 51.472 2.463 25.414 0.00 0.00 -ATOM 2992 O1 H2O C 998 10.417 7.014 21.804 0.00 0.00 -ATOM 2993 H1 H2O C 998 9.835 6.624 22.519 0.00 0.00 -ATOM 2994 H2 H2O C 998 10.252 7.999 21.743 0.00 0.00 -ATOM 2995 O1 H2O C 999 40.519 34.509 29.799 0.00 0.00 -ATOM 2996 H1 H2O C 999 40.996 34.316 30.656 0.00 0.00 -ATOM 2997 H2 H2O C 999 41.179 34.525 29.047 0.00 0.00 -ATOM 2998 O1 H2O C1000 59.516 19.099 30.623 0.00 0.00 -ATOM 2999 H1 H2O C1000 58.560 18.806 30.636 0.00 0.00 -ATOM 3000 H2 H2O C1000 59.967 18.727 29.812 0.00 0.00 -ATOM 3001 O1 H2O C1001 37.916 15.461 44.648 0.00 0.00 -ATOM 3002 H1 H2O C1001 37.015 15.136 44.936 0.00 0.00 -ATOM 3003 H2 H2O C1001 38.460 15.692 45.455 0.00 0.00 -ATOM 3004 O1 H2O C1002 44.014 15.082 3.047 0.00 0.00 -ATOM 3005 H1 H2O C1002 44.634 15.508 2.388 0.00 0.00 -ATOM 3006 H2 H2O C1002 43.140 15.568 3.045 0.00 0.00 -ATOM 3007 O1 H2O C1003 3.756 14.102 26.630 0.00 0.00 -ATOM 3008 H1 H2O C1003 2.969 13.487 26.597 0.00 0.00 -ATOM 3009 H2 H2O C1003 3.725 14.639 27.473 0.00 0.00 -ATOM 3010 O1 H2O C1004 40.026 35.648 21.588 0.00 0.00 -ATOM 3011 H1 H2O C1004 39.119 35.676 22.009 0.00 0.00 -ATOM 3012 H2 H2O C1004 40.557 34.902 21.990 0.00 0.00 -ATOM 3013 O1 H2O C1005 14.085 11.288 8.372 0.00 0.00 -ATOM 3014 H1 H2O C1005 14.224 10.737 9.195 0.00 0.00 -ATOM 3015 H2 H2O C1005 14.913 11.814 8.179 0.00 0.00 -ATOM 3016 O1 H2O C1006 4.823 49.838 43.119 0.00 0.00 -ATOM 3017 H1 H2O C1006 5.091 50.794 43.235 0.00 0.00 -ATOM 3018 H2 H2O C1006 5.222 49.288 43.853 0.00 0.00 -ATOM 3019 O1 H2O C1007 57.361 57.584 21.489 0.00 0.00 -ATOM 3020 H1 H2O C1007 56.538 57.515 20.925 0.00 0.00 -ATOM 3021 H2 H2O C1007 57.123 57.426 22.447 0.00 0.00 -ATOM 3022 O1 H2O C1008 36.421 28.834 2.788 0.00 0.00 -ATOM 3023 H1 H2O C1008 37.332 29.198 2.594 0.00 0.00 -ATOM 3024 H2 H2O C1008 36.505 27.988 3.315 0.00 0.00 -ATOM 3025 O1 H2O C1009 37.396 52.073 43.394 0.00 0.00 -ATOM 3026 H1 H2O C1009 37.739 52.188 44.326 0.00 0.00 -ATOM 3027 H2 H2O C1009 36.418 51.868 43.421 0.00 0.00 -ATOM 3028 O1 H2O C1010 58.829 19.828 3.602 0.00 0.00 -ATOM 3029 H1 H2O C1010 58.932 20.549 2.917 0.00 0.00 -ATOM 3030 H2 H2O C1010 58.938 18.935 3.165 0.00 0.00 -ATOM 3031 O1 H2O C1011 47.063 53.229 24.039 0.00 0.00 -ATOM 3032 H1 H2O C1011 47.994 53.125 23.690 0.00 0.00 -ATOM 3033 H2 H2O C1011 46.421 53.253 23.273 0.00 0.00 -ATOM 3034 O1 H2O C1012 52.112 58.341 28.689 0.00 0.00 -ATOM 3035 H1 H2O C1012 52.173 57.537 29.280 0.00 0.00 -ATOM 3036 H2 H2O C1012 53.032 58.680 28.492 0.00 0.00 -ATOM 3037 O1 H2O C1013 40.603 52.808 17.917 0.00 0.00 -ATOM 3038 H1 H2O C1013 40.390 53.433 17.166 0.00 0.00 -ATOM 3039 H2 H2O C1013 39.979 52.979 18.679 0.00 0.00 -ATOM 3040 O1 H2O C1014 29.750 36.976 27.654 0.00 0.00 -ATOM 3041 H1 H2O C1014 30.476 37.378 27.095 0.00 0.00 -ATOM 3042 H2 H2O C1014 28.989 37.621 27.724 0.00 0.00 -ATOM 3043 O1 H2O C1015 24.058 2.072 53.358 0.00 0.00 -ATOM 3044 H1 H2O C1015 23.330 2.621 53.769 0.00 0.00 -ATOM 3045 H2 H2O C1015 24.202 2.364 52.413 0.00 0.00 -ATOM 3046 O1 H2O C1016 13.227 17.455 26.253 0.00 0.00 -ATOM 3047 H1 H2O C1016 13.979 16.817 26.422 0.00 0.00 -ATOM 3048 H2 H2O C1016 13.127 17.599 25.268 0.00 0.00 -ATOM 3049 O1 H2O C1017 12.765 8.920 25.380 0.00 0.00 -ATOM 3050 H1 H2O C1017 11.942 9.460 25.556 0.00 0.00 -ATOM 3051 H2 H2O C1017 13.544 9.338 25.847 0.00 0.00 -ATOM 3052 O1 H2O C1018 9.668 28.206 14.585 0.00 0.00 -ATOM 3053 H1 H2O C1018 9.069 28.201 13.785 0.00 0.00 -ATOM 3054 H2 H2O C1018 10.570 27.858 14.328 0.00 0.00 -ATOM 3055 O1 H2O C1019 32.407 24.590 7.386 0.00 0.00 -ATOM 3056 H1 H2O C1019 33.070 24.067 6.849 0.00 0.00 -ATOM 3057 H2 H2O C1019 31.569 24.056 7.492 0.00 0.00 -ATOM 3058 O1 H2O C1020 33.024 47.483 26.896 0.00 0.00 -ATOM 3059 H1 H2O C1020 32.730 47.764 27.810 0.00 0.00 -ATOM 3060 H2 H2O C1020 32.972 48.264 26.274 0.00 0.00 -ATOM 3061 O1 H2O C1021 45.812 45.508 18.145 0.00 0.00 -ATOM 3062 H1 H2O C1021 46.682 45.015 18.143 0.00 0.00 -ATOM 3063 H2 H2O C1021 45.080 44.891 17.857 0.00 0.00 -ATOM 3064 O1 H2O C1022 18.577 32.814 26.877 0.00 0.00 -ATOM 3065 H1 H2O C1022 18.718 31.836 26.723 0.00 0.00 -ATOM 3066 H2 H2O C1022 18.591 33.295 26.000 0.00 0.00 -ATOM 3067 O1 H2O C1023 40.946 7.909 38.852 0.00 0.00 -ATOM 3068 H1 H2O C1023 40.103 7.839 38.320 0.00 0.00 -ATOM 3069 H2 H2O C1023 41.207 7.003 39.184 0.00 0.00 -ATOM 3070 O1 H2O C1024 7.032 58.018 49.134 0.00 0.00 -ATOM 3071 H1 H2O C1024 7.520 57.307 48.628 0.00 0.00 -ATOM 3072 H2 H2O C1024 7.303 57.989 50.096 0.00 0.00 -ATOM 3073 O1 H2O C1025 42.662 4.065 4.382 0.00 0.00 -ATOM 3074 H1 H2O C1025 42.689 3.079 4.548 0.00 0.00 -ATOM 3075 H2 H2O C1025 41.757 4.418 4.620 0.00 0.00 -ATOM 3076 O1 H2O C1026 24.540 12.443 14.104 0.00 0.00 -ATOM 3077 H1 H2O C1026 24.216 12.795 14.982 0.00 0.00 -ATOM 3078 H2 H2O C1026 24.938 11.535 14.235 0.00 0.00 -ATOM 3079 O1 H2O C1027 23.234 26.345 44.094 0.00 0.00 -ATOM 3080 H1 H2O C1027 23.666 27.235 44.238 0.00 0.00 -ATOM 3081 H2 H2O C1027 22.496 26.222 44.757 0.00 0.00 -ATOM 3082 O1 H2O C1028 28.551 52.231 33.086 0.00 0.00 -ATOM 3083 H1 H2O C1028 27.928 51.457 32.970 0.00 0.00 -ATOM 3084 H2 H2O C1028 29.471 51.893 33.282 0.00 0.00 -ATOM 3085 O1 H2O C1029 28.694 59.392 8.920 0.00 0.00 -ATOM 3086 H1 H2O C1029 28.063 60.018 9.377 0.00 0.00 -ATOM 3087 H2 H2O C1029 28.580 59.468 7.929 0.00 0.00 -ATOM 3088 O1 H2O C1030 14.021 49.168 12.296 0.00 0.00 -ATOM 3089 H1 H2O C1030 13.454 48.632 12.922 0.00 0.00 -ATOM 3090 H2 H2O C1030 13.605 49.166 11.387 0.00 0.00 -ATOM 3091 O1 H2O C1031 52.694 28.277 40.622 0.00 0.00 -ATOM 3092 H1 H2O C1031 51.986 27.590 40.789 0.00 0.00 -ATOM 3093 H2 H2O C1031 52.946 28.266 39.654 0.00 0.00 -ATOM 3094 O1 H2O C1032 0.327 14.052 59.340 0.00 0.00 -ATOM 3095 H1 H2O C1032 -0.168 13.868 60.189 0.00 0.00 -ATOM 3096 H2 H2O C1032 1.161 14.564 59.544 0.00 0.00 -ATOM 3097 O1 H2O C1033 20.273 8.403 45.586 0.00 0.00 -ATOM 3098 H1 H2O C1033 19.372 8.840 45.583 0.00 0.00 -ATOM 3099 H2 H2O C1033 20.478 8.069 46.507 0.00 0.00 -ATOM 3100 O1 H2O C1034 47.940 13.363 30.768 0.00 0.00 -ATOM 3101 H1 H2O C1034 47.041 13.797 30.705 0.00 0.00 -ATOM 3102 H2 H2O C1034 48.068 12.747 29.991 0.00 0.00 -ATOM 3103 O1 H2O C1035 1.400 14.921 28.078 0.00 0.00 -ATOM 3104 H1 H2O C1035 1.397 15.364 27.181 0.00 0.00 -ATOM 3105 H2 H2O C1035 2.164 14.277 28.129 0.00 0.00 -ATOM 3106 O1 H2O C1036 3.240 25.558 34.567 0.00 0.00 -ATOM 3107 H1 H2O C1036 3.059 25.991 35.450 0.00 0.00 -ATOM 3108 H2 H2O C1036 3.947 24.859 34.677 0.00 0.00 -ATOM 3109 O1 H2O C1037 28.107 23.455 11.031 0.00 0.00 -ATOM 3110 H1 H2O C1037 28.671 22.741 10.616 0.00 0.00 -ATOM 3111 H2 H2O C1037 28.082 24.252 10.428 0.00 0.00 -ATOM 3112 O1 H2O C1038 50.624 49.812 16.663 0.00 0.00 -ATOM 3113 H1 H2O C1038 51.093 49.217 17.315 0.00 0.00 -ATOM 3114 H2 H2O C1038 49.953 49.278 16.148 0.00 0.00 -ATOM 3115 O1 H2O C1039 6.760 37.101 39.454 0.00 0.00 -ATOM 3116 H1 H2O C1039 7.396 37.865 39.552 0.00 0.00 -ATOM 3117 H2 H2O C1039 6.942 36.422 40.166 0.00 0.00 -ATOM 3118 O1 H2O C1040 0.689 35.343 12.872 0.00 0.00 -ATOM 3119 H1 H2O C1040 0.664 34.343 12.879 0.00 0.00 -ATOM 3120 H2 H2O C1040 1.408 35.654 12.250 0.00 0.00 -ATOM 3121 O1 H2O C1041 52.413 51.736 4.127 0.00 0.00 -ATOM 3122 H1 H2O C1041 51.854 52.437 4.571 0.00 0.00 -ATOM 3123 H2 H2O C1041 51.970 51.445 3.279 0.00 0.00 -ATOM 3124 O1 H2O C1042 28.458 21.029 29.994 0.00 0.00 -ATOM 3125 H1 H2O C1042 28.618 21.373 30.919 0.00 0.00 -ATOM 3126 H2 H2O C1042 28.391 20.031 30.016 0.00 0.00 -ATOM 3127 O1 H2O C1043 49.683 7.379 38.375 0.00 0.00 -ATOM 3128 H1 H2O C1043 49.873 8.258 37.937 0.00 0.00 -ATOM 3129 H2 H2O C1043 50.157 7.336 39.254 0.00 0.00 -ATOM 3130 O1 H2O C1044 37.474 48.144 54.732 0.00 0.00 -ATOM 3131 H1 H2O C1044 38.190 47.940 55.399 0.00 0.00 -ATOM 3132 H2 H2O C1044 36.627 47.687 55.002 0.00 0.00 -ATOM 3133 O1 H2O C1045 22.538 14.275 34.134 0.00 0.00 -ATOM 3134 H1 H2O C1045 23.314 14.340 34.762 0.00 0.00 -ATOM 3135 H2 H2O C1045 21.755 13.878 34.613 0.00 0.00 -ATOM 3136 O1 H2O C1046 39.329 43.131 34.652 0.00 0.00 -ATOM 3137 H1 H2O C1046 39.988 43.827 34.366 0.00 0.00 -ATOM 3138 H2 H2O C1046 38.759 43.494 35.388 0.00 0.00 -ATOM 3139 O1 H2O C1047 47.988 4.121 12.120 0.00 0.00 -ATOM 3140 H1 H2O C1047 47.338 4.688 12.627 0.00 0.00 -ATOM 3141 H2 H2O C1047 47.762 4.146 11.146 0.00 0.00 -ATOM 3142 O1 H2O C1048 47.855 29.723 37.570 0.00 0.00 -ATOM 3143 H1 H2O C1048 48.344 30.351 38.176 0.00 0.00 -ATOM 3144 H2 H2O C1048 47.532 30.221 36.766 0.00 0.00 -ATOM 3145 O1 H2O C1049 50.122 58.345 31.504 0.00 0.00 -ATOM 3146 H1 H2O C1049 50.404 58.108 32.434 0.00 0.00 -ATOM 3147 H2 H2O C1049 49.216 58.768 31.528 0.00 0.00 -ATOM 3148 O1 H2O C1050 50.523 10.930 38.581 0.00 0.00 -ATOM 3149 H1 H2O C1050 50.221 11.087 39.521 0.00 0.00 -ATOM 3150 H2 H2O C1050 50.986 10.046 38.523 0.00 0.00 -ATOM 3151 O1 H2O C1051 57.007 3.796 5.832 0.00 0.00 -ATOM 3152 H1 H2O C1051 58.007 3.751 5.816 0.00 0.00 -ATOM 3153 H2 H2O C1051 56.641 3.338 5.021 0.00 0.00 -ATOM 3154 O1 H2O C1052 34.057 6.628 20.427 0.00 0.00 -ATOM 3155 H1 H2O C1052 34.717 7.230 19.978 0.00 0.00 -ATOM 3156 H2 H2O C1052 34.092 5.721 20.006 0.00 0.00 -ATOM 3157 O1 H2O C1053 56.700 52.676 46.330 0.00 0.00 -ATOM 3158 H1 H2O C1053 55.802 52.804 46.752 0.00 0.00 -ATOM 3159 H2 H2O C1053 57.396 53.136 46.882 0.00 0.00 -ATOM 3160 O1 H2O C1054 13.343 57.080 57.184 0.00 0.00 -ATOM 3161 H1 H2O C1054 13.559 57.028 56.209 0.00 0.00 -ATOM 3162 H2 H2O C1054 13.279 58.039 57.460 0.00 0.00 -ATOM 3163 O1 H2O C1055 51.259 11.840 59.582 0.00 0.00 -ATOM 3164 H1 H2O C1055 51.820 12.542 60.021 0.00 0.00 -ATOM 3165 H2 H2O C1055 51.556 10.936 59.889 0.00 0.00 -ATOM 3166 O1 H2O C1056 26.926 11.968 55.211 0.00 0.00 -ATOM 3167 H1 H2O C1056 25.930 11.906 55.146 0.00 0.00 -ATOM 3168 H2 H2O C1056 27.257 11.315 55.892 0.00 0.00 -ATOM 3169 O1 H2O C1057 14.676 45.557 46.385 0.00 0.00 -ATOM 3170 H1 H2O C1057 15.429 46.213 46.344 0.00 0.00 -ATOM 3171 H2 H2O C1057 14.908 44.822 47.023 0.00 0.00 -ATOM 3172 O1 H2O C1058 14.042 52.877 4.183 0.00 0.00 -ATOM 3173 H1 H2O C1058 13.244 53.371 3.837 0.00 0.00 -ATOM 3174 H2 H2O C1058 14.282 53.225 5.089 0.00 0.00 -ATOM 3175 O1 H2O C1059 15.353 25.431 41.388 0.00 0.00 -ATOM 3176 H1 H2O C1059 15.800 24.869 42.083 0.00 0.00 -ATOM 3177 H2 H2O C1059 16.045 25.935 40.871 0.00 0.00 -ATOM 3178 O1 H2O C1060 43.354 57.423 46.025 0.00 0.00 -ATOM 3179 H1 H2O C1060 43.266 56.503 46.407 0.00 0.00 -ATOM 3180 H2 H2O C1060 42.470 57.719 45.663 0.00 0.00 -ATOM 3181 O1 H2O C1061 4.385 26.470 57.826 0.00 0.00 -ATOM 3182 H1 H2O C1061 4.825 26.325 56.940 0.00 0.00 -ATOM 3183 H2 H2O C1061 5.082 26.671 58.515 0.00 0.00 -ATOM 3184 O1 H2O C1062 28.731 57.949 13.628 0.00 0.00 -ATOM 3185 H1 H2O C1062 29.076 57.508 14.457 0.00 0.00 -ATOM 3186 H2 H2O C1062 29.272 57.650 12.842 0.00 0.00 -ATOM 3187 O1 H2O C1063 31.052 31.013 28.546 0.00 0.00 -ATOM 3188 H1 H2O C1063 31.521 31.878 28.368 0.00 0.00 -ATOM 3189 H2 H2O C1063 31.248 30.714 29.480 0.00 0.00 -ATOM 3190 O1 H2O C1064 27.649 11.093 37.228 0.00 0.00 -ATOM 3191 H1 H2O C1064 27.158 11.943 37.418 0.00 0.00 -ATOM 3192 H2 H2O C1064 28.547 11.122 37.668 0.00 0.00 -ATOM 3193 O1 H2O C1065 8.190 47.146 23.413 0.00 0.00 -ATOM 3194 H1 H2O C1065 7.700 47.955 23.736 0.00 0.00 -ATOM 3195 H2 H2O C1065 8.467 46.589 24.195 0.00 0.00 -ATOM 3196 O1 H2O C1066 8.707 25.414 50.733 0.00 0.00 -ATOM 3197 H1 H2O C1066 9.660 25.202 50.947 0.00 0.00 -ATOM 3198 H2 H2O C1066 8.273 24.616 50.316 0.00 0.00 -ATOM 3199 O1 H2O C1067 52.016 6.368 1.598 0.00 0.00 -ATOM 3200 H1 H2O C1067 51.916 5.800 0.781 0.00 0.00 -ATOM 3201 H2 H2O C1067 52.705 5.966 2.201 0.00 0.00 -ATOM 3202 O1 H2O C1068 36.320 32.398 40.675 0.00 0.00 -ATOM 3203 H1 H2O C1068 35.797 32.988 40.060 0.00 0.00 -ATOM 3204 H2 H2O C1068 36.901 31.787 40.137 0.00 0.00 -ATOM 3205 O1 H2O C1069 27.420 16.325 54.854 0.00 0.00 -ATOM 3206 H1 H2O C1069 27.587 15.384 55.147 0.00 0.00 -ATOM 3207 H2 H2O C1069 27.397 16.924 55.654 0.00 0.00 -ATOM 3208 O1 H2O C1070 27.906 26.815 13.254 0.00 0.00 -ATOM 3209 H1 H2O C1070 28.570 26.827 12.506 0.00 0.00 -ATOM 3210 H2 H2O C1070 28.265 26.268 14.010 0.00 0.00 -ATOM 3211 O1 H2O C1071 34.214 59.773 14.987 0.00 0.00 -ATOM 3212 H1 H2O C1071 33.751 59.323 15.750 0.00 0.00 -ATOM 3213 H2 H2O C1071 34.811 59.117 14.525 0.00 0.00 -ATOM 3214 O1 H2O C1072 14.980 8.600 52.351 0.00 0.00 -ATOM 3215 H1 H2O C1072 14.965 8.745 53.341 0.00 0.00 -ATOM 3216 H2 H2O C1072 14.081 8.815 51.969 0.00 0.00 -ATOM 3217 O1 H2O C1073 55.444 0.165 26.816 0.00 0.00 -ATOM 3218 H1 H2O C1073 55.169 -0.263 25.955 0.00 0.00 -ATOM 3219 H2 H2O C1073 54.635 0.521 27.284 0.00 0.00 -ATOM 3220 O1 H2O C1074 15.782 27.745 45.974 0.00 0.00 -ATOM 3221 H1 H2O C1074 16.174 26.885 45.649 0.00 0.00 -ATOM 3222 H2 H2O C1074 14.837 27.823 45.655 0.00 0.00 -ATOM 3223 O1 H2O C1075 25.705 34.509 2.943 0.00 0.00 -ATOM 3224 H1 H2O C1075 25.767 34.599 1.949 0.00 0.00 -ATOM 3225 H2 H2O C1075 25.391 33.588 3.175 0.00 0.00 -ATOM 3226 O1 H2O C1076 7.487 55.787 47.431 0.00 0.00 -ATOM 3227 H1 H2O C1076 7.259 54.840 47.206 0.00 0.00 -ATOM 3228 H2 H2O C1076 8.472 55.926 47.331 0.00 0.00 -ATOM 3229 O1 H2O C1077 53.483 7.317 47.572 0.00 0.00 -ATOM 3230 H1 H2O C1077 53.093 7.753 48.382 0.00 0.00 -ATOM 3231 H2 H2O C1077 54.404 6.988 47.781 0.00 0.00 -ATOM 3232 O1 H2O C1078 40.202 2.582 4.879 0.00 0.00 -ATOM 3233 H1 H2O C1078 40.242 1.741 4.339 0.00 0.00 -ATOM 3234 H2 H2O C1078 40.659 3.320 4.382 0.00 0.00 -ATOM 3235 O1 H2O C1079 10.976 13.467 26.720 0.00 0.00 -ATOM 3236 H1 H2O C1079 10.885 12.481 26.861 0.00 0.00 -ATOM 3237 H2 H2O C1079 10.099 13.843 26.420 0.00 0.00 -ATOM 3238 O1 H2O C1080 16.101 49.189 51.865 0.00 0.00 -ATOM 3239 H1 H2O C1080 15.434 48.784 52.490 0.00 0.00 -ATOM 3240 H2 H2O C1080 16.973 48.707 51.950 0.00 0.00 -ATOM 3241 O1 H2O C1081 0.760 0.610 26.801 0.00 0.00 -ATOM 3242 H1 H2O C1081 -0.136 1.052 26.839 0.00 0.00 -ATOM 3243 H2 H2O C1081 0.903 0.222 25.891 0.00 0.00 -ATOM 3244 O1 H2O C1082 28.366 23.078 47.025 0.00 0.00 -ATOM 3245 H1 H2O C1082 28.804 23.895 47.402 0.00 0.00 -ATOM 3246 H2 H2O C1082 27.424 23.294 46.768 0.00 0.00 -ATOM 3247 O1 H2O C1083 12.238 13.993 33.122 0.00 0.00 -ATOM 3248 H1 H2O C1083 11.280 14.206 32.931 0.00 0.00 -ATOM 3249 H2 H2O C1083 12.289 13.286 33.827 0.00 0.00 -ATOM 3250 O1 H2O C1084 47.132 28.248 17.283 0.00 0.00 -ATOM 3251 H1 H2O C1084 47.791 28.213 18.034 0.00 0.00 -ATOM 3252 H2 H2O C1084 47.122 29.168 16.890 0.00 0.00 -ATOM 3253 O1 H2O C1085 6.867 14.339 12.830 0.00 0.00 -ATOM 3254 H1 H2O C1085 7.218 14.162 11.911 0.00 0.00 -ATOM 3255 H2 H2O C1085 7.220 15.215 13.159 0.00 0.00 -ATOM 3256 O1 H2O C1086 27.109 12.859 45.149 0.00 0.00 -ATOM 3257 H1 H2O C1086 26.356 13.128 45.750 0.00 0.00 -ATOM 3258 H2 H2O C1086 26.740 12.422 44.329 0.00 0.00 -ATOM 3259 O1 H2O C1087 22.374 -0.057 6.902 0.00 0.00 -ATOM 3260 H1 H2O C1087 21.729 0.290 6.221 0.00 0.00 -ATOM 3261 H2 H2O C1087 23.231 0.454 6.839 0.00 0.00 -ATOM 3262 O1 H2O C1088 57.598 55.020 45.844 0.00 0.00 -ATOM 3263 H1 H2O C1088 56.788 54.522 45.534 0.00 0.00 -ATOM 3264 H2 H2O C1088 57.367 55.985 45.970 0.00 0.00 -ATOM 3265 O1 H2O C1089 57.415 17.572 44.026 0.00 0.00 -ATOM 3266 H1 H2O C1089 57.894 16.725 44.258 0.00 0.00 -ATOM 3267 H2 H2O C1089 57.112 17.534 43.074 0.00 0.00 -ATOM 3268 O1 H2O C1090 6.574 42.193 46.990 0.00 0.00 -ATOM 3269 H1 H2O C1090 7.373 41.592 46.977 0.00 0.00 -ATOM 3270 H2 H2O C1090 5.813 41.747 46.520 0.00 0.00 -ATOM 3271 O1 H2O C1091 56.406 12.658 0.166 0.00 0.00 -ATOM 3272 H1 H2O C1091 56.837 12.521 1.059 0.00 0.00 -ATOM 3273 H2 H2O C1091 55.468 12.311 0.192 0.00 0.00 -ATOM 3274 O1 H2O C1092 22.586 52.203 26.125 0.00 0.00 -ATOM 3275 H1 H2O C1092 22.337 52.218 25.156 0.00 0.00 -ATOM 3276 H2 H2O C1092 22.463 51.279 26.487 0.00 0.00 -ATOM 3277 O1 H2O C1093 5.425 28.967 34.008 0.00 0.00 -ATOM 3278 H1 H2O C1093 4.498 29.333 34.099 0.00 0.00 -ATOM 3279 H2 H2O C1093 5.390 27.967 34.030 0.00 0.00 -ATOM 3280 O1 H2O C1094 11.971 9.093 7.141 0.00 0.00 -ATOM 3281 H1 H2O C1094 11.729 8.224 7.573 0.00 0.00 -ATOM 3282 H2 H2O C1094 11.146 9.526 6.779 0.00 0.00 -ATOM 3283 O1 H2O C1095 0.822 23.708 19.351 0.00 0.00 -ATOM 3284 H1 H2O C1095 0.322 24.569 19.252 0.00 0.00 -ATOM 3285 H2 H2O C1095 1.343 23.721 20.204 0.00 0.00 -ATOM 3286 O1 H2O C1096 48.083 58.115 8.906 0.00 0.00 -ATOM 3287 H1 H2O C1096 47.300 57.504 8.784 0.00 0.00 -ATOM 3288 H2 H2O C1096 47.756 59.033 9.132 0.00 0.00 -ATOM 3289 O1 H2O C1097 19.335 1.282 24.361 0.00 0.00 -ATOM 3290 H1 H2O C1097 18.550 0.772 24.716 0.00 0.00 -ATOM 3291 H2 H2O C1097 19.334 1.241 23.362 0.00 0.00 -ATOM 3292 O1 H2O C1098 0.907 36.950 27.384 0.00 0.00 -ATOM 3293 H1 H2O C1098 0.945 36.865 28.380 0.00 0.00 -ATOM 3294 H2 H2O C1098 0.855 36.040 26.973 0.00 0.00 -ATOM 3295 O1 H2O C1099 42.788 6.516 45.600 0.00 0.00 -ATOM 3296 H1 H2O C1099 43.328 6.677 46.426 0.00 0.00 -ATOM 3297 H2 H2O C1099 43.265 5.864 45.011 0.00 0.00 -ATOM 3298 O1 H2O C1100 45.539 28.396 17.699 0.00 0.00 -ATOM 3299 H1 H2O C1100 46.016 28.366 18.578 0.00 0.00 -ATOM 3300 H2 H2O C1100 46.209 28.405 16.956 0.00 0.00 -ATOM 3301 O1 H2O C1101 56.150 15.474 47.135 0.00 0.00 -ATOM 3302 H1 H2O C1101 57.122 15.669 47.267 0.00 0.00 -ATOM 3303 H2 H2O C1101 55.854 14.789 47.801 0.00 0.00 -ATOM 3304 O1 H2O C1102 20.834 58.970 47.018 0.00 0.00 -ATOM 3305 H1 H2O C1102 21.672 59.504 47.126 0.00 0.00 -ATOM 3306 H2 H2O C1102 20.561 58.596 47.905 0.00 0.00 -ATOM 3307 O1 H2O C1103 57.157 29.072 22.267 0.00 0.00 -ATOM 3308 H1 H2O C1103 56.594 28.353 22.675 0.00 0.00 -ATOM 3309 H2 H2O C1103 57.592 28.725 21.437 0.00 0.00 -ATOM 3310 O1 H2O C1104 37.145 27.610 53.996 0.00 0.00 -ATOM 3311 H1 H2O C1104 36.634 28.469 53.954 0.00 0.00 -ATOM 3312 H2 H2O C1104 37.926 27.656 53.373 0.00 0.00 -ATOM 3313 O1 H2O C1105 11.019 7.920 17.982 0.00 0.00 -ATOM 3314 H1 H2O C1105 11.944 8.037 18.345 0.00 0.00 -ATOM 3315 H2 H2O C1105 10.929 7.005 17.588 0.00 0.00 -ATOM 3316 O1 H2O C1106 1.676 5.548 23.768 0.00 0.00 -ATOM 3317 H1 H2O C1106 1.236 4.816 23.247 0.00 0.00 -ATOM 3318 H2 H2O C1106 1.113 6.373 23.724 0.00 0.00 -ATOM 3319 O1 H2O C1107 24.463 4.154 48.471 0.00 0.00 -ATOM 3320 H1 H2O C1107 24.802 5.071 48.683 0.00 0.00 -ATOM 3321 H2 H2O C1107 25.068 3.472 48.882 0.00 0.00 -ATOM 3322 O1 H2O C1108 7.668 19.067 26.699 0.00 0.00 -ATOM 3323 H1 H2O C1108 7.332 19.860 27.207 0.00 0.00 -ATOM 3324 H2 H2O C1108 8.015 18.382 27.340 0.00 0.00 -ATOM 3325 O1 H2O C1109 14.536 13.700 53.581 0.00 0.00 -ATOM 3326 H1 H2O C1109 14.537 12.730 53.823 0.00 0.00 -ATOM 3327 H2 H2O C1109 13.731 14.142 53.978 0.00 0.00 -ATOM 3328 O1 H2O C1110 32.984 58.849 22.061 0.00 0.00 -ATOM 3329 H1 H2O C1110 32.063 58.682 22.413 0.00 0.00 -ATOM 3330 H2 H2O C1110 33.209 58.157 21.375 0.00 0.00 -ATOM 3331 O1 H2O C1111 22.138 47.901 58.167 0.00 0.00 -ATOM 3332 H1 H2O C1111 22.456 47.942 59.114 0.00 0.00 -ATOM 3333 H2 H2O C1111 21.511 48.660 57.993 0.00 0.00 -ATOM 3334 O1 H2O C1112 49.280 58.810 5.042 0.00 0.00 -ATOM 3335 H1 H2O C1112 50.007 58.855 4.356 0.00 0.00 -ATOM 3336 H2 H2O C1112 48.506 59.368 4.744 0.00 0.00 -ATOM 3337 O1 H2O C1113 4.453 29.263 16.832 0.00 0.00 -ATOM 3338 H1 H2O C1113 3.591 29.058 16.369 0.00 0.00 -ATOM 3339 H2 H2O C1113 4.979 29.912 16.284 0.00 0.00 -ATOM 3340 O1 H2O C1114 8.670 38.789 51.502 0.00 0.00 -ATOM 3341 H1 H2O C1114 9.593 39.170 51.562 0.00 0.00 -ATOM 3342 H2 H2O C1114 8.655 38.056 50.822 0.00 0.00 -ATOM 3343 O1 H2O C1115 48.050 25.309 0.479 0.00 0.00 -ATOM 3344 H1 H2O C1115 47.575 26.182 0.365 0.00 0.00 -ATOM 3345 H2 H2O C1115 48.331 24.963 -0.416 0.00 0.00 -ATOM 3346 O1 H2O C1116 24.051 33.798 21.669 0.00 0.00 -ATOM 3347 H1 H2O C1116 23.159 33.367 21.537 0.00 0.00 -ATOM 3348 H2 H2O C1116 24.257 33.846 22.646 0.00 0.00 -ATOM 3349 O1 H2O C1117 30.059 5.149 29.350 0.00 0.00 -ATOM 3350 H1 H2O C1117 30.044 4.163 29.182 0.00 0.00 -ATOM 3351 H2 H2O C1117 30.209 5.318 30.325 0.00 0.00 -ATOM 3352 O1 H2O C1118 56.901 52.646 7.195 0.00 0.00 -ATOM 3353 H1 H2O C1118 56.949 51.701 7.522 0.00 0.00 -ATOM 3354 H2 H2O C1118 57.687 53.158 7.543 0.00 0.00 -ATOM 3355 O1 H2O C1119 32.026 55.659 5.711 0.00 0.00 -ATOM 3356 H1 H2O C1119 32.017 54.870 5.097 0.00 0.00 -ATOM 3357 H2 H2O C1119 32.136 55.347 6.655 0.00 0.00 -ATOM 3358 O1 H2O C1120 20.506 30.899 59.445 0.00 0.00 -ATOM 3359 H1 H2O C1120 21.131 31.661 59.276 0.00 0.00 -ATOM 3360 H2 H2O C1120 19.568 31.188 59.252 0.00 0.00 -ATOM 3361 O1 H2O C1121 31.205 13.475 29.971 0.00 0.00 -ATOM 3362 H1 H2O C1121 31.822 14.241 30.152 0.00 0.00 -ATOM 3363 H2 H2O C1121 30.274 13.726 30.236 0.00 0.00 -ATOM 3364 O1 H2O C1122 49.417 16.917 17.087 0.00 0.00 -ATOM 3365 H1 H2O C1122 49.565 17.295 16.173 0.00 0.00 -ATOM 3366 H2 H2O C1122 48.626 16.305 17.070 0.00 0.00 -ATOM 3367 O1 H2O C1123 17.046 28.146 7.142 0.00 0.00 -ATOM 3368 H1 H2O C1123 17.169 28.881 6.476 0.00 0.00 -ATOM 3369 H2 H2O C1123 17.297 28.476 8.052 0.00 0.00 -ATOM 3370 O1 H2O C1124 51.418 50.262 57.108 0.00 0.00 -ATOM 3371 H1 H2O C1124 50.801 49.551 56.769 0.00 0.00 -ATOM 3372 H2 H2O C1124 52.320 49.865 57.280 0.00 0.00 -ATOM 3373 O1 H2O C1125 44.397 45.098 31.250 0.00 0.00 -ATOM 3374 H1 H2O C1125 44.496 45.778 31.976 0.00 0.00 -ATOM 3375 H2 H2O C1125 45.258 45.021 30.746 0.00 0.00 -ATOM 3376 O1 H2O C1126 5.514 4.931 25.815 0.00 0.00 -ATOM 3377 H1 H2O C1126 4.688 4.907 25.252 0.00 0.00 -ATOM 3378 H2 H2O C1126 6.298 5.181 25.246 0.00 0.00 -ATOM 3379 O1 H2O C1127 13.448 53.229 51.465 0.00 0.00 -ATOM 3380 H1 H2O C1127 13.755 53.700 52.292 0.00 0.00 -ATOM 3381 H2 H2O C1127 12.620 52.706 51.668 0.00 0.00 -ATOM 3382 O1 H2O C1128 21.880 21.277 60.226 0.00 0.00 -ATOM 3383 H1 H2O C1128 21.649 20.538 59.593 0.00 0.00 -ATOM 3384 H2 H2O C1128 21.519 22.141 59.876 0.00 0.00 -ATOM 3385 O1 H2O C1129 52.945 26.040 41.415 0.00 0.00 -ATOM 3386 H1 H2O C1129 53.735 25.429 41.375 0.00 0.00 -ATOM 3387 H2 H2O C1129 53.007 26.612 42.233 0.00 0.00 -ATOM 3388 O1 H2O C1130 26.660 47.292 4.773 0.00 0.00 -ATOM 3389 H1 H2O C1130 26.128 47.528 5.586 0.00 0.00 -ATOM 3390 H2 H2O C1130 26.296 46.452 4.370 0.00 0.00 -ATOM 3391 O1 H2O C1131 29.644 53.211 9.233 0.00 0.00 -ATOM 3392 H1 H2O C1131 30.478 52.683 9.074 0.00 0.00 -ATOM 3393 H2 H2O C1131 28.898 52.828 8.688 0.00 0.00 -ATOM 3394 O1 H2O C1132 23.490 43.501 47.537 0.00 0.00 -ATOM 3395 H1 H2O C1132 22.906 42.723 47.769 0.00 0.00 -ATOM 3396 H2 H2O C1132 24.429 43.308 47.822 0.00 0.00 -ATOM 3397 O1 H2O C1133 58.003 54.738 53.018 0.00 0.00 -ATOM 3398 H1 H2O C1133 58.883 54.746 52.544 0.00 0.00 -ATOM 3399 H2 H2O C1133 57.814 55.649 53.386 0.00 0.00 -ATOM 3400 O1 H2O C1134 38.526 4.217 21.176 0.00 0.00 -ATOM 3401 H1 H2O C1134 38.459 3.526 21.895 0.00 0.00 -ATOM 3402 H2 H2O C1134 39.472 4.536 21.107 0.00 0.00 -ATOM 3403 O1 H2O C1135 39.858 0.768 16.365 0.00 0.00 -ATOM 3404 H1 H2O C1135 38.998 0.652 16.862 0.00 0.00 -ATOM 3405 H2 H2O C1135 40.064 1.743 16.279 0.00 0.00 -ATOM 3406 O1 H2O C1136 5.528 12.074 38.368 0.00 0.00 -ATOM 3407 H1 H2O C1136 5.788 11.128 38.174 0.00 0.00 -ATOM 3408 H2 H2O C1136 5.101 12.476 37.558 0.00 0.00 -ATOM 3409 O1 H2O C1137 44.159 29.463 17.232 0.00 0.00 -ATOM 3410 H1 H2O C1137 43.173 29.354 17.352 0.00 0.00 -ATOM 3411 H2 H2O C1137 44.402 29.275 16.280 0.00 0.00 -ATOM 3412 O1 H2O C1138 24.026 50.909 23.972 0.00 0.00 -ATOM 3413 H1 H2O C1138 24.259 51.729 23.450 0.00 0.00 -ATOM 3414 H2 H2O C1138 23.044 50.903 24.162 0.00 0.00 -ATOM 3415 O1 H2O C1139 4.916 59.762 56.727 0.00 0.00 -ATOM 3416 H1 H2O C1139 5.353 58.890 56.950 0.00 0.00 -ATOM 3417 H2 H2O C1139 5.319 60.131 55.889 0.00 0.00 -ATOM 3418 O1 H2O C1140 20.143 42.996 56.206 0.00 0.00 -ATOM 3419 H1 H2O C1140 21.006 42.514 56.051 0.00 0.00 -ATOM 3420 H2 H2O C1140 19.420 42.331 56.393 0.00 0.00 -ATOM 3421 O1 H2O C1141 44.087 59.461 7.800 0.00 0.00 -ATOM 3422 H1 H2O C1141 43.682 59.531 8.712 0.00 0.00 -ATOM 3423 H2 H2O C1141 44.933 58.930 7.850 0.00 0.00 -ATOM 3424 O1 H2O C1142 28.696 39.456 56.848 0.00 0.00 -ATOM 3425 H1 H2O C1142 27.815 39.662 56.422 0.00 0.00 -ATOM 3426 H2 H2O C1142 29.095 38.648 56.414 0.00 0.00 -ATOM 3427 O1 H2O C1143 51.305 6.601 19.922 0.00 0.00 -ATOM 3428 H1 H2O C1143 51.702 6.016 19.215 0.00 0.00 -ATOM 3429 H2 H2O C1143 51.899 7.390 20.075 0.00 0.00 -ATOM 3430 O1 H2O C1144 39.883 19.087 34.572 0.00 0.00 -ATOM 3431 H1 H2O C1144 40.730 19.573 34.355 0.00 0.00 -ATOM 3432 H2 H2O C1144 39.988 18.609 35.444 0.00 0.00 -ATOM 3433 O1 H2O C1145 48.151 23.939 26.846 0.00 0.00 -ATOM 3434 H1 H2O C1145 48.669 24.685 27.265 0.00 0.00 -ATOM 3435 H2 H2O C1145 48.734 23.130 26.770 0.00 0.00 -ATOM 3436 O1 H2O C1146 57.341 17.217 52.919 0.00 0.00 -ATOM 3437 H1 H2O C1146 57.584 17.335 53.882 0.00 0.00 -ATOM 3438 H2 H2O C1146 56.632 16.518 52.838 0.00 0.00 -ATOM 3439 O1 H2O C1147 44.000 25.381 55.826 0.00 0.00 -ATOM 3440 H1 H2O C1147 44.731 25.534 55.161 0.00 0.00 -ATOM 3441 H2 H2O C1147 43.369 26.156 55.812 0.00 0.00 -ATOM 3442 O1 H2O C1148 29.076 10.391 46.568 0.00 0.00 -ATOM 3443 H1 H2O C1148 29.938 10.858 46.767 0.00 0.00 -ATOM 3444 H2 H2O C1148 28.374 11.068 46.348 0.00 0.00 -ATOM 3445 O1 H2O C1149 35.031 3.911 13.443 0.00 0.00 -ATOM 3446 H1 H2O C1149 34.367 3.217 13.166 0.00 0.00 -ATOM 3447 H2 H2O C1149 34.740 4.326 14.305 0.00 0.00 -ATOM 3448 O1 H2O C1150 53.640 48.774 4.072 0.00 0.00 -ATOM 3449 H1 H2O C1150 53.734 48.871 5.063 0.00 0.00 -ATOM 3450 H2 H2O C1150 53.072 49.517 3.717 0.00 0.00 -ATOM 3451 O1 H2O C1151 19.924 54.813 19.154 0.00 0.00 -ATOM 3452 H1 H2O C1151 19.763 53.851 18.933 0.00 0.00 -ATOM 3453 H2 H2O C1151 20.679 55.161 18.599 0.00 0.00 -ATOM 3454 O1 H2O C1152 35.386 15.574 48.967 0.00 0.00 -ATOM 3455 H1 H2O C1152 35.323 15.276 48.015 0.00 0.00 -ATOM 3456 H2 H2O C1152 35.933 16.410 49.019 0.00 0.00 -ATOM 3457 O1 H2O C1153 58.006 52.161 20.028 0.00 0.00 -ATOM 3458 H1 H2O C1153 58.817 52.518 20.491 0.00 0.00 -ATOM 3459 H2 H2O C1153 57.402 51.731 20.698 0.00 0.00 -ATOM 3460 O1 H2O C1154 55.572 18.673 10.601 0.00 0.00 -ATOM 3461 H1 H2O C1154 56.496 18.983 10.823 0.00 0.00 -ATOM 3462 H2 H2O C1154 55.621 17.930 9.934 0.00 0.00 -ATOM 3463 O1 H2O C1155 54.958 12.569 56.147 0.00 0.00 -ATOM 3464 H1 H2O C1155 55.657 12.967 55.552 0.00 0.00 -ATOM 3465 H2 H2O C1155 55.241 12.661 57.102 0.00 0.00 -ATOM 3466 O1 H2O C1156 12.117 13.470 26.838 0.00 0.00 -ATOM 3467 H1 H2O C1156 12.671 14.123 26.322 0.00 0.00 -ATOM 3468 H2 H2O C1156 11.152 13.721 26.765 0.00 0.00 -ATOM 3469 O1 H2O C1157 9.408 32.695 23.920 0.00 0.00 -ATOM 3470 H1 H2O C1157 10.111 32.294 23.334 0.00 0.00 -ATOM 3471 H2 H2O C1157 9.474 32.302 24.838 0.00 0.00 -ATOM 3472 O1 H2O C1158 9.410 48.521 48.268 0.00 0.00 -ATOM 3473 H1 H2O C1158 9.529 49.167 47.514 0.00 0.00 -ATOM 3474 H2 H2O C1158 8.590 48.763 48.787 0.00 0.00 -ATOM 3475 O1 H2O C1159 0.244 45.211 39.434 0.00 0.00 -ATOM 3476 H1 H2O C1159 0.992 45.297 40.091 0.00 0.00 -ATOM 3477 H2 H2O C1159 0.053 46.105 39.028 0.00 0.00 -ATOM 3478 O1 H2O C1160 19.296 25.112 20.726 0.00 0.00 -ATOM 3479 H1 H2O C1160 19.761 25.570 19.968 0.00 0.00 -ATOM 3480 H2 H2O C1160 18.306 25.199 20.611 0.00 0.00 -ATOM 3481 O1 H2O C1161 46.300 17.372 20.599 0.00 0.00 -ATOM 3482 H1 H2O C1161 45.887 18.134 21.098 0.00 0.00 -ATOM 3483 H2 H2O C1161 47.199 17.644 20.258 0.00 0.00 -ATOM 3484 O1 H2O C1162 25.277 10.772 47.192 0.00 0.00 -ATOM 3485 H1 H2O C1162 26.066 10.919 46.595 0.00 0.00 -ATOM 3486 H2 H2O C1162 25.413 9.936 47.724 0.00 0.00 -ATOM 3487 O1 H2O C1163 60.134 27.286 45.386 0.00 0.00 -ATOM 3488 H1 H2O C1163 60.649 26.643 44.818 0.00 0.00 -ATOM 3489 H2 H2O C1163 59.175 27.006 45.421 0.00 0.00 -ATOM 3490 O1 H2O C1164 36.821 40.645 49.691 0.00 0.00 -ATOM 3491 H1 H2O C1164 35.966 41.158 49.615 0.00 0.00 -ATOM 3492 H2 H2O C1164 37.471 40.978 49.008 0.00 0.00 -ATOM 3493 O1 H2O C1165 20.545 55.823 27.694 0.00 0.00 -ATOM 3494 H1 H2O C1165 21.217 55.145 27.993 0.00 0.00 -ATOM 3495 H2 H2O C1165 20.235 56.355 28.481 0.00 0.00 -ATOM 3496 O1 H2O C1166 44.148 11.518 28.295 0.00 0.00 -ATOM 3497 H1 H2O C1166 45.085 11.733 28.019 0.00 0.00 -ATOM 3498 H2 H2O C1166 43.938 11.985 29.154 0.00 0.00 -ATOM 3499 O1 H2O C1167 51.698 16.185 42.988 0.00 0.00 -ATOM 3500 H1 H2O C1167 51.745 15.977 42.011 0.00 0.00 -ATOM 3501 H2 H2O C1167 50.748 16.130 43.296 0.00 0.00 -ATOM 3502 O1 H2O C1168 20.218 12.739 34.261 0.00 0.00 -ATOM 3503 H1 H2O C1168 20.942 12.577 34.931 0.00 0.00 -ATOM 3504 H2 H2O C1168 20.625 13.017 33.391 0.00 0.00 -ATOM 3505 O1 H2O C1169 44.395 20.198 3.136 0.00 0.00 -ATOM 3506 H1 H2O C1169 44.862 19.685 3.856 0.00 0.00 -ATOM 3507 H2 H2O C1169 45.061 20.493 2.451 0.00 0.00 -ATOM 3508 O1 H2O C1170 56.499 4.949 21.426 0.00 0.00 -ATOM 3509 H1 H2O C1170 57.249 5.268 22.005 0.00 0.00 -ATOM 3510 H2 H2O C1170 56.330 5.616 20.701 0.00 0.00 -ATOM 3511 O1 H2O C1171 27.937 56.834 58.341 0.00 0.00 -ATOM 3512 H1 H2O C1171 28.099 56.507 57.411 0.00 0.00 -ATOM 3513 H2 H2O C1171 28.391 57.716 58.468 0.00 0.00 -ATOM 3514 O1 H2O C1172 36.752 50.099 51.081 0.00 0.00 -ATOM 3515 H1 H2O C1172 36.158 50.881 51.271 0.00 0.00 -ATOM 3516 H2 H2O C1172 36.205 49.347 50.714 0.00 0.00 -ATOM 3517 O1 H2O C1173 46.662 43.654 35.549 0.00 0.00 -ATOM 3518 H1 H2O C1173 45.817 43.147 35.717 0.00 0.00 -ATOM 3519 H2 H2O C1173 47.198 43.184 34.847 0.00 0.00 -ATOM 3520 O1 H2O C1174 58.919 21.398 17.256 0.00 0.00 -ATOM 3521 H1 H2O C1174 59.184 22.104 16.599 0.00 0.00 -ATOM 3522 H2 H2O C1174 58.230 20.801 16.845 0.00 0.00 -ATOM 3523 O1 H2O C1175 24.737 12.728 11.888 0.00 0.00 -ATOM 3524 H1 H2O C1175 23.892 12.550 11.383 0.00 0.00 -ATOM 3525 H2 H2O C1175 24.543 13.334 12.659 0.00 0.00 -ATOM 3526 O1 H2O C1176 24.733 59.092 22.181 0.00 0.00 -ATOM 3527 H1 H2O C1176 24.134 59.746 22.643 0.00 0.00 -ATOM 3528 H2 H2O C1176 24.222 58.257 21.979 0.00 0.00 -ATOM 3529 O1 H2O C1177 50.416 26.787 24.020 0.00 0.00 -ATOM 3530 H1 H2O C1177 51.005 26.466 24.761 0.00 0.00 -ATOM 3531 H2 H2O C1177 50.351 26.080 23.315 0.00 0.00 -ATOM 3532 O1 H2O C1178 10.812 17.479 2.327 0.00 0.00 -ATOM 3533 H1 H2O C1178 10.894 18.267 1.716 0.00 0.00 -ATOM 3534 H2 H2O C1178 11.615 16.892 2.224 0.00 0.00 -ATOM 3535 O1 H2O C1179 44.549 21.922 50.010 0.00 0.00 -ATOM 3536 H1 H2O C1179 43.635 22.258 50.238 0.00 0.00 -ATOM 3537 H2 H2O C1179 45.168 22.091 50.778 0.00 0.00 -ATOM 3538 O1 H2O C1180 37.863 30.445 11.232 0.00 0.00 -ATOM 3539 H1 H2O C1180 37.336 29.650 11.534 0.00 0.00 -ATOM 3540 H2 H2O C1180 38.596 30.146 10.621 0.00 0.00 -ATOM 3541 O1 H2O C1181 39.853 1.915 39.303 0.00 0.00 -ATOM 3542 H1 H2O C1181 39.736 2.077 40.283 0.00 0.00 -ATOM 3543 H2 H2O C1181 40.811 2.058 39.053 0.00 0.00 -ATOM 3544 O1 H2O C1182 37.674 38.111 37.407 0.00 0.00 -ATOM 3545 H1 H2O C1182 37.863 37.129 37.388 0.00 0.00 -ATOM 3546 H2 H2O C1182 36.692 38.263 37.293 0.00 0.00 -ATOM 3547 O1 H2O C1183 26.564 29.456 31.826 0.00 0.00 -ATOM 3548 H1 H2O C1183 27.048 30.124 31.262 0.00 0.00 -ATOM 3549 H2 H2O C1183 25.719 29.863 32.174 0.00 0.00 -ATOM 3550 O1 H2O C1184 36.690 32.432 41.142 0.00 0.00 -ATOM 3551 H1 H2O C1184 36.847 32.259 40.170 0.00 0.00 -ATOM 3552 H2 H2O C1184 36.681 33.418 41.308 0.00 0.00 -ATOM 3553 O1 H2O C1185 44.420 14.088 1.311 0.00 0.00 -ATOM 3554 H1 H2O C1185 43.517 14.521 1.323 0.00 0.00 -ATOM 3555 H2 H2O C1185 44.657 13.790 2.236 0.00 0.00 -ATOM 3556 O1 H2O C1186 59.459 28.014 36.594 0.00 0.00 -ATOM 3557 H1 H2O C1186 59.061 27.136 36.329 0.00 0.00 -ATOM 3558 H2 H2O C1186 59.658 28.008 37.574 0.00 0.00 -ATOM 3559 O1 H2O C1187 25.751 58.355 50.408 0.00 0.00 -ATOM 3560 H1 H2O C1187 25.205 57.886 51.102 0.00 0.00 -ATOM 3561 H2 H2O C1187 25.238 59.135 50.050 0.00 0.00 -ATOM 3562 O1 H2O C1188 57.402 27.473 38.395 0.00 0.00 -ATOM 3563 H1 H2O C1188 58.000 28.269 38.292 0.00 0.00 -ATOM 3564 H2 H2O C1188 56.894 27.327 37.546 0.00 0.00 -ATOM 3565 O1 H2O C1189 10.082 17.766 41.139 0.00 0.00 -ATOM 3566 H1 H2O C1189 9.706 17.532 42.036 0.00 0.00 -ATOM 3567 H2 H2O C1189 9.442 17.480 40.425 0.00 0.00 -ATOM 3568 O1 H2O C1190 3.816 38.565 15.922 0.00 0.00 -ATOM 3569 H1 H2O C1190 3.271 38.271 15.136 0.00 0.00 -ATOM 3570 H2 H2O C1190 4.548 39.171 15.611 0.00 0.00 -ATOM 3571 O1 H2O C1191 44.656 46.957 33.809 0.00 0.00 -ATOM 3572 H1 H2O C1191 45.093 46.824 32.919 0.00 0.00 -ATOM 3573 H2 H2O C1191 43.961 46.252 33.948 0.00 0.00 -ATOM 3574 O1 H2O C1192 52.732 6.638 41.479 0.00 0.00 -ATOM 3575 H1 H2O C1192 53.717 6.712 41.631 0.00 0.00 -ATOM 3576 H2 H2O C1192 52.340 7.553 41.385 0.00 0.00 -ATOM 3577 O1 H2O C1193 9.928 54.172 0.937 0.00 0.00 -ATOM 3578 H1 H2O C1193 9.626 53.966 1.868 0.00 0.00 -ATOM 3579 H2 H2O C1193 9.454 53.570 0.294 0.00 0.00 -ATOM 3580 O1 H2O C1194 3.632 32.118 42.035 0.00 0.00 -ATOM 3581 H1 H2O C1194 3.607 31.452 42.781 0.00 0.00 -ATOM 3582 H2 H2O C1194 3.552 33.042 42.410 0.00 0.00 -ATOM 3583 O1 H2O C1195 58.831 54.969 4.005 0.00 0.00 -ATOM 3584 H1 H2O C1195 59.757 54.609 3.893 0.00 0.00 -ATOM 3585 H2 H2O C1195 58.497 55.311 3.126 0.00 0.00 -ATOM 3586 O1 H2O C1196 33.115 41.512 12.292 0.00 0.00 -ATOM 3587 H1 H2O C1196 32.169 41.237 12.465 0.00 0.00 -ATOM 3588 H2 H2O C1196 33.393 42.194 12.968 0.00 0.00 -ATOM 3589 O1 H2O C1197 53.639 56.978 22.414 0.00 0.00 -ATOM 3590 H1 H2O C1197 53.520 57.857 21.953 0.00 0.00 -ATOM 3591 H2 H2O C1197 53.847 57.133 23.380 0.00 0.00 -ATOM 3592 O1 H2O C1198 19.919 4.278 54.264 0.00 0.00 -ATOM 3593 H1 H2O C1198 19.107 4.096 54.818 0.00 0.00 -ATOM 3594 H2 H2O C1198 19.871 3.747 53.418 0.00 0.00 -ATOM 3595 O1 H2O C1199 21.108 29.856 44.102 0.00 0.00 -ATOM 3596 H1 H2O C1199 22.026 30.135 43.821 0.00 0.00 -ATOM 3597 H2 H2O C1199 20.802 30.431 44.861 0.00 0.00 -ATOM 3598 O1 H2O C1200 35.754 45.775 52.140 0.00 0.00 -ATOM 3599 H1 H2O C1200 36.746 45.662 52.201 0.00 0.00 -ATOM 3600 H2 H2O C1200 35.352 44.965 51.711 0.00 0.00 -ATOM 3601 O1 H2O C1201 29.028 11.679 23.041 0.00 0.00 -ATOM 3602 H1 H2O C1201 28.633 10.782 22.840 0.00 0.00 -ATOM 3603 H2 H2O C1201 28.300 12.312 23.305 0.00 0.00 -ATOM 3604 O1 H2O C1202 55.809 2.917 27.068 0.00 0.00 -ATOM 3605 H1 H2O C1202 54.938 3.069 27.536 0.00 0.00 -ATOM 3606 H2 H2O C1202 55.725 2.128 26.458 0.00 0.00 -ATOM 3607 O1 H2O C1203 5.117 9.782 51.223 0.00 0.00 -ATOM 3608 H1 H2O C1203 4.610 9.711 50.364 0.00 0.00 -ATOM 3609 H2 H2O C1203 5.222 8.873 51.625 0.00 0.00 -ATOM 3610 O1 H2O C1204 58.768 53.383 33.017 0.00 0.00 -ATOM 3611 H1 H2O C1204 59.276 52.557 32.773 0.00 0.00 -ATOM 3612 H2 H2O C1204 58.965 54.104 32.354 0.00 0.00 -ATOM 3613 O1 H2O C1205 10.983 50.828 40.496 0.00 0.00 -ATOM 3614 H1 H2O C1205 11.558 51.633 40.639 0.00 0.00 -ATOM 3615 H2 H2O C1205 10.636 50.506 41.377 0.00 0.00 -ATOM 3616 O1 H2O C1206 40.076 36.563 16.003 0.00 0.00 -ATOM 3617 H1 H2O C1206 39.815 36.750 15.056 0.00 0.00 -ATOM 3618 H2 H2O C1206 41.013 36.877 16.158 0.00 0.00 -ATOM 3619 O1 H2O C1207 24.243 18.218 39.808 0.00 0.00 -ATOM 3620 H1 H2O C1207 23.309 18.372 39.485 0.00 0.00 -ATOM 3621 H2 H2O C1207 24.751 19.079 39.778 0.00 0.00 -ATOM 3622 O1 H2O C1208 40.783 10.399 39.837 0.00 0.00 -ATOM 3623 H1 H2O C1208 41.457 11.134 39.766 0.00 0.00 -ATOM 3624 H2 H2O C1208 40.142 10.605 40.577 0.00 0.00 -ATOM 3625 O1 H2O C1209 24.566 0.379 33.605 0.00 0.00 -ATOM 3626 H1 H2O C1209 25.284 0.132 34.255 0.00 0.00 -ATOM 3627 H2 H2O C1209 24.905 1.086 32.986 0.00 0.00 -ATOM 3628 O1 H2O C1210 14.540 13.331 53.761 0.00 0.00 -ATOM 3629 H1 H2O C1210 14.310 12.359 53.705 0.00 0.00 -ATOM 3630 H2 H2O C1210 15.433 13.487 53.338 0.00 0.00 -ATOM 3631 O1 H2O C1211 25.863 19.503 54.091 0.00 0.00 -ATOM 3632 H1 H2O C1211 25.671 20.194 53.394 0.00 0.00 -ATOM 3633 H2 H2O C1211 25.627 18.598 53.737 0.00 0.00 -ATOM 3634 O1 H2O C1212 37.172 42.502 25.719 0.00 0.00 -ATOM 3635 H1 H2O C1212 37.843 42.010 25.164 0.00 0.00 -ATOM 3636 H2 H2O C1212 37.325 43.486 25.632 0.00 0.00 -ATOM 3637 O1 H2O C1213 3.620 43.269 6.885 0.00 0.00 -ATOM 3638 H1 H2O C1213 4.088 43.998 7.384 0.00 0.00 -ATOM 3639 H2 H2O C1213 3.756 43.396 5.902 0.00 0.00 -ATOM 3640 O1 H2O C1214 11.272 44.130 48.941 0.00 0.00 -ATOM 3641 H1 H2O C1214 11.482 44.817 48.245 0.00 0.00 -ATOM 3642 H2 H2O C1214 11.672 44.407 49.814 0.00 0.00 -ATOM 3643 O1 H2O C1215 2.929 47.102 39.450 0.00 0.00 -ATOM 3644 H1 H2O C1215 3.473 47.927 39.604 0.00 0.00 -ATOM 3645 H2 H2O C1215 2.103 47.338 38.939 0.00 0.00 -ATOM 3646 O1 H2O C1216 9.319 48.393 9.102 0.00 0.00 -ATOM 3647 H1 H2O C1216 9.739 49.079 8.508 0.00 0.00 -ATOM 3648 H2 H2O C1216 9.915 47.591 9.159 0.00 0.00 -ATOM 3649 O1 H2O C1217 28.337 42.985 4.024 0.00 0.00 -ATOM 3650 H1 H2O C1217 29.197 42.580 4.335 0.00 0.00 -ATOM 3651 H2 H2O C1217 28.286 43.936 4.331 0.00 0.00 -ATOM 3652 O1 H2O C1218 40.552 15.889 33.763 0.00 0.00 -ATOM 3653 H1 H2O C1218 41.193 15.252 33.335 0.00 0.00 -ATOM 3654 H2 H2O C1218 40.646 15.839 34.757 0.00 0.00 -ATOM 3655 O1 H2O C1219 26.189 38.912 11.029 0.00 0.00 -ATOM 3656 H1 H2O C1219 25.687 38.229 11.560 0.00 0.00 -ATOM 3657 H2 H2O C1219 27.148 38.915 11.311 0.00 0.00 -ATOM 3658 O1 H2O C1220 53.911 59.556 56.288 0.00 0.00 -ATOM 3659 H1 H2O C1220 54.897 59.396 56.342 0.00 0.00 -ATOM 3660 H2 H2O C1220 53.729 60.538 56.342 0.00 0.00 -ATOM 3661 O1 H2O C1221 45.905 55.951 27.588 0.00 0.00 -ATOM 3662 H1 H2O C1221 46.803 56.380 27.693 0.00 0.00 -ATOM 3663 H2 H2O C1221 45.196 56.584 27.897 0.00 0.00 -ATOM 3664 O1 H2O C1222 5.487 22.648 18.389 0.00 0.00 -ATOM 3665 H1 H2O C1222 5.517 21.648 18.413 0.00 0.00 -ATOM 3666 H2 H2O C1222 6.406 23.012 18.537 0.00 0.00 -ATOM 3667 O1 H2O C1223 50.039 7.365 26.611 0.00 0.00 -ATOM 3668 H1 H2O C1223 49.455 7.229 27.411 0.00 0.00 -ATOM 3669 H2 H2O C1223 50.497 8.251 26.678 0.00 0.00 -ATOM 3670 O1 H2O C1224 9.806 38.660 24.832 0.00 0.00 -ATOM 3671 H1 H2O C1224 9.408 39.541 25.089 0.00 0.00 -ATOM 3672 H2 H2O C1224 10.581 38.457 25.429 0.00 0.00 -ATOM 3673 O1 H2O C1225 29.988 23.162 22.027 0.00 0.00 -ATOM 3674 H1 H2O C1225 30.076 23.627 21.146 0.00 0.00 -ATOM 3675 H2 H2O C1225 30.470 22.286 21.991 0.00 0.00 -ATOM 3676 O1 H2O C1226 30.316 19.815 50.493 0.00 0.00 -ATOM 3677 H1 H2O C1226 29.532 19.241 50.261 0.00 0.00 -ATOM 3678 H2 H2O C1226 31.079 19.237 50.784 0.00 0.00 -ATOM 3679 O1 H2O C1227 53.343 22.278 0.547 0.00 0.00 -ATOM 3680 H1 H2O C1227 53.788 22.460 1.424 0.00 0.00 -ATOM 3681 H2 H2O C1227 53.969 22.505 -0.198 0.00 0.00 -ATOM 3682 O1 H2O C1228 38.032 48.677 1.735 0.00 0.00 -ATOM 3683 H1 H2O C1228 37.416 48.551 2.513 0.00 0.00 -ATOM 3684 H2 H2O C1228 37.894 49.587 1.344 0.00 0.00 -ATOM 3685 O1 H2O C1229 16.074 43.029 55.877 0.00 0.00 -ATOM 3686 H1 H2O C1229 16.014 43.891 56.381 0.00 0.00 -ATOM 3687 H2 H2O C1229 15.335 42.984 55.205 0.00 0.00 -ATOM 3688 O1 H2O C1230 25.170 10.954 10.394 0.00 0.00 -ATOM 3689 H1 H2O C1230 24.590 10.672 11.160 0.00 0.00 -ATOM 3690 H2 H2O C1230 25.710 11.753 10.662 0.00 0.00 -ATOM 3691 O1 H2O C1231 12.844 16.695 1.527 0.00 0.00 -ATOM 3692 H1 H2O C1231 13.187 15.784 1.755 0.00 0.00 -ATOM 3693 H2 H2O C1231 13.603 17.346 1.525 0.00 0.00 -ATOM 3694 O1 H2O C1232 28.035 26.688 44.750 0.00 0.00 -ATOM 3695 H1 H2O C1232 28.884 26.346 45.153 0.00 0.00 -ATOM 3696 H2 H2O C1232 27.626 25.976 44.179 0.00 0.00 -ATOM 3697 O1 H2O C1233 48.738 20.730 18.044 0.00 0.00 -ATOM 3698 H1 H2O C1233 48.854 21.364 17.279 0.00 0.00 -ATOM 3699 H2 H2O C1233 47.895 20.951 18.534 0.00 0.00 -ATOM 3700 O1 H2O C1234 17.288 48.965 41.331 0.00 0.00 -ATOM 3701 H1 H2O C1234 16.834 49.766 41.722 0.00 0.00 -ATOM 3702 H2 H2O C1234 16.623 48.227 41.216 0.00 0.00 -ATOM 3703 O1 H2O C1235 10.713 46.343 1.700 0.00 0.00 -ATOM 3704 H1 H2O C1235 10.549 46.965 0.934 0.00 0.00 -ATOM 3705 H2 H2O C1235 11.675 46.392 1.969 0.00 0.00 -ATOM 3706 O1 H2O C1236 12.309 8.140 23.142 0.00 0.00 -ATOM 3707 H1 H2O C1236 13.086 7.528 23.290 0.00 0.00 -ATOM 3708 H2 H2O C1236 11.836 7.882 22.300 0.00 0.00 -ATOM 3709 O1 H2O C1237 31.013 27.386 28.988 0.00 0.00 -ATOM 3710 H1 H2O C1237 31.142 27.855 28.114 0.00 0.00 -ATOM 3711 H2 H2O C1237 30.220 26.779 28.927 0.00 0.00 -ATOM 3712 O1 H2O C1238 11.071 39.592 29.748 0.00 0.00 -ATOM 3713 H1 H2O C1238 10.992 39.102 28.880 0.00 0.00 -ATOM 3714 H2 H2O C1238 11.099 40.576 29.574 0.00 0.00 -ATOM 3715 O1 H2O C1239 47.392 59.743 51.484 0.00 0.00 -ATOM 3716 H1 H2O C1239 47.305 59.301 52.377 0.00 0.00 -ATOM 3717 H2 H2O C1239 47.027 59.138 50.776 0.00 0.00 -ATOM 3718 O1 H2O C1240 52.384 0.239 55.513 0.00 0.00 -ATOM 3719 H1 H2O C1240 53.355 0.455 55.606 0.00 0.00 -ATOM 3720 H2 H2O C1240 51.958 0.220 56.417 0.00 0.00 -ATOM 3721 O1 H2O C1241 40.937 21.610 6.958 0.00 0.00 -ATOM 3722 H1 H2O C1241 40.651 22.539 6.723 0.00 0.00 -ATOM 3723 H2 H2O C1241 41.934 21.574 7.022 0.00 0.00 -ATOM 3724 O1 H2O C1242 37.170 49.023 58.615 0.00 0.00 -ATOM 3725 H1 H2O C1242 37.590 49.687 59.233 0.00 0.00 -ATOM 3726 H2 H2O C1242 36.354 48.637 59.044 0.00 0.00 -ATOM 3727 O1 H2O C1243 48.566 2.565 19.813 0.00 0.00 -ATOM 3728 H1 H2O C1243 47.678 2.163 19.587 0.00 0.00 -ATOM 3729 H2 H2O C1243 48.500 3.562 19.773 0.00 0.00 -ATOM 3730 O1 H2O C1244 19.404 43.825 48.009 0.00 0.00 -ATOM 3731 H1 H2O C1244 19.859 43.137 47.444 0.00 0.00 -ATOM 3732 H2 H2O C1244 19.311 43.481 48.943 0.00 0.00 -ATOM 3733 O1 H2O C1245 49.293 32.628 25.488 0.00 0.00 -ATOM 3734 H1 H2O C1245 49.250 33.029 26.403 0.00 0.00 -ATOM 3735 H2 H2O C1245 49.635 33.309 24.841 0.00 0.00 -ATOM 3736 O1 H2O C1246 38.253 48.239 40.113 0.00 0.00 -ATOM 3737 H1 H2O C1246 38.224 47.244 40.019 0.00 0.00 -ATOM 3738 H2 H2O C1246 38.283 48.659 39.206 0.00 0.00 -ATOM 3739 O1 H2O C1247 35.330 42.440 35.216 0.00 0.00 -ATOM 3740 H1 H2O C1247 35.669 42.199 34.306 0.00 0.00 -ATOM 3741 H2 H2O C1247 36.030 42.229 35.898 0.00 0.00 -ATOM 3742 O1 H2O C1248 10.695 34.307 50.920 0.00 0.00 -ATOM 3743 H1 H2O C1248 10.598 34.309 49.925 0.00 0.00 -ATOM 3744 H2 H2O C1248 10.189 33.534 51.303 0.00 0.00 -ATOM 3745 O1 H2O C1249 28.734 42.327 40.749 0.00 0.00 -ATOM 3746 H1 H2O C1249 29.151 41.418 40.782 0.00 0.00 -ATOM 3747 H2 H2O C1249 29.319 42.942 40.221 0.00 0.00 -ATOM 3748 O1 H2O C1250 42.065 31.677 59.102 0.00 0.00 -ATOM 3749 H1 H2O C1250 42.115 32.631 59.397 0.00 0.00 -ATOM 3750 H2 H2O C1250 41.138 31.332 59.247 0.00 0.00 -ATOM 3751 O1 H2O C1251 53.164 23.953 40.978 0.00 0.00 -ATOM 3752 H1 H2O C1251 53.238 23.106 40.451 0.00 0.00 -ATOM 3753 H2 H2O C1251 53.014 24.720 40.354 0.00 0.00 -ATOM 3754 O1 H2O C1252 34.781 9.990 27.607 0.00 0.00 -ATOM 3755 H1 H2O C1252 33.848 10.284 27.400 0.00 0.00 -ATOM 3756 H2 H2O C1252 35.213 10.655 28.216 0.00 0.00 -ATOM 3757 O1 H2O C1253 33.371 24.414 57.066 0.00 0.00 -ATOM 3758 H1 H2O C1253 33.960 23.664 57.368 0.00 0.00 -ATOM 3759 H2 H2O C1253 33.419 24.496 56.071 0.00 0.00 -ATOM 3760 O1 H2O C1254 49.150 52.417 54.098 0.00 0.00 -ATOM 3761 H1 H2O C1254 48.346 53.010 54.040 0.00 0.00 -ATOM 3762 H2 H2O C1254 49.210 52.029 55.018 0.00 0.00 -ATOM 3763 O1 H2O C1255 31.598 36.728 51.967 0.00 0.00 -ATOM 3764 H1 H2O C1255 30.775 36.952 51.445 0.00 0.00 -ATOM 3765 H2 H2O C1255 31.482 37.024 52.915 0.00 0.00 -ATOM 3766 O1 H2O C1256 18.379 55.473 37.488 0.00 0.00 -ATOM 3767 H1 H2O C1256 19.328 55.622 37.211 0.00 0.00 -ATOM 3768 H2 H2O C1256 18.102 56.188 38.129 0.00 0.00 -ATOM 3769 O1 H2O C1257 2.639 29.280 22.035 0.00 0.00 -ATOM 3770 H1 H2O C1257 1.658 29.438 22.147 0.00 0.00 -ATOM 3771 H2 H2O C1257 2.966 29.768 21.226 0.00 0.00 -ATOM 3772 O1 H2O C1258 17.940 57.892 11.153 0.00 0.00 -ATOM 3773 H1 H2O C1258 18.228 57.565 10.252 0.00 0.00 -ATOM 3774 H2 H2O C1258 17.769 57.110 11.752 0.00 0.00 -ATOM 3775 O1 H2O C1259 38.778 58.468 2.096 0.00 0.00 -ATOM 3776 H1 H2O C1259 38.317 57.986 2.840 0.00 0.00 -ATOM 3777 H2 H2O C1259 39.233 59.282 2.458 0.00 0.00 -ATOM 3778 O1 H2O C1260 49.691 0.463 26.446 0.00 0.00 -ATOM 3779 H1 H2O C1260 49.265 0.029 25.652 0.00 0.00 -ATOM 3780 H2 H2O C1260 50.388 1.111 26.139 0.00 0.00 -ATOM 3781 O1 H2O C1261 24.560 58.159 10.431 0.00 0.00 -ATOM 3782 H1 H2O C1261 25.042 57.321 10.688 0.00 0.00 -ATOM 3783 H2 H2O C1261 23.905 57.956 9.702 0.00 0.00 -ATOM 3784 O1 H2O C1262 44.311 44.290 20.877 0.00 0.00 -ATOM 3785 H1 H2O C1262 43.429 44.746 20.997 0.00 0.00 -ATOM 3786 H2 H2O C1262 44.168 43.304 20.790 0.00 0.00 -ATOM 3787 O1 H2O C1263 16.575 55.765 2.097 0.00 0.00 -ATOM 3788 H1 H2O C1263 17.055 55.249 2.806 0.00 0.00 -ATOM 3789 H2 H2O C1263 16.121 55.130 1.472 0.00 0.00 -ATOM 3790 O1 H2O C1264 39.341 17.388 28.359 0.00 0.00 -ATOM 3791 H1 H2O C1264 39.929 16.765 28.875 0.00 0.00 -ATOM 3792 H2 H2O C1264 38.584 16.874 27.955 0.00 0.00 -ATOM 3793 O1 H2O C1265 47.818 36.614 9.054 0.00 0.00 -ATOM 3794 H1 H2O C1265 47.263 35.874 8.673 0.00 0.00 -ATOM 3795 H2 H2O C1265 47.697 36.645 10.046 0.00 0.00 -ATOM 3796 O1 H2O C1266 19.844 3.193 26.238 0.00 0.00 -ATOM 3797 H1 H2O C1266 20.192 2.290 25.985 0.00 0.00 -ATOM 3798 H2 H2O C1266 19.615 3.705 25.411 0.00 0.00 -ATOM 3799 O1 H2O C1267 24.545 11.318 57.629 0.00 0.00 -ATOM 3800 H1 H2O C1267 24.334 11.883 58.426 0.00 0.00 -ATOM 3801 H2 H2O C1267 25.505 11.039 57.663 0.00 0.00 -ATOM 3802 O1 H2O C1268 6.801 50.621 48.235 0.00 0.00 -ATOM 3803 H1 H2O C1268 6.282 50.634 47.380 0.00 0.00 -ATOM 3804 H2 H2O C1268 6.208 50.899 48.990 0.00 0.00 -ATOM 3805 O1 H2O C1269 53.557 27.572 23.380 0.00 0.00 -ATOM 3806 H1 H2O C1269 54.150 27.142 24.061 0.00 0.00 -ATOM 3807 H2 H2O C1269 52.664 27.123 23.384 0.00 0.00 -ATOM 3808 O1 H2O C1270 19.156 36.244 13.710 0.00 0.00 -ATOM 3809 H1 H2O C1270 19.568 36.972 14.258 0.00 0.00 -ATOM 3810 H2 H2O C1270 18.291 36.565 13.325 0.00 0.00 -ATOM 3811 O1 H2O C1271 22.848 54.136 27.008 0.00 0.00 -ATOM 3812 H1 H2O C1271 22.287 54.777 26.483 0.00 0.00 -ATOM 3813 H2 H2O C1271 22.347 53.279 27.131 0.00 0.00 -ATOM 3814 O1 H2O C1272 9.942 24.962 20.644 0.00 0.00 -ATOM 3815 H1 H2O C1272 10.423 24.154 20.304 0.00 0.00 -ATOM 3816 H2 H2O C1272 9.033 24.698 20.965 0.00 0.00 -ATOM 3817 O1 H2O C1273 12.797 33.438 38.234 0.00 0.00 -ATOM 3818 H1 H2O C1273 13.621 32.943 38.508 0.00 0.00 -ATOM 3819 H2 H2O C1273 12.077 33.287 38.912 0.00 0.00 -ATOM 3820 O1 H2O C1274 22.180 41.459 57.621 0.00 0.00 -ATOM 3821 H1 H2O C1274 23.143 41.539 57.361 0.00 0.00 -ATOM 3822 H2 H2O C1274 21.611 41.915 56.937 0.00 0.00 -ATOM 3823 O1 H2O C1275 38.483 13.602 21.635 0.00 0.00 -ATOM 3824 H1 H2O C1275 37.746 14.272 21.726 0.00 0.00 -ATOM 3825 H2 H2O C1275 38.091 12.683 21.575 0.00 0.00 -ATOM 3826 O1 H2O C1276 31.236 41.224 9.896 0.00 0.00 -ATOM 3827 H1 H2O C1276 32.118 41.594 9.604 0.00 0.00 -ATOM 3828 H2 H2O C1276 31.084 40.340 9.453 0.00 0.00 -ATOM 3829 O1 H2O C1277 40.598 45.781 47.534 0.00 0.00 -ATOM 3830 H1 H2O C1277 41.086 44.910 47.571 0.00 0.00 -ATOM 3831 H2 H2O C1277 40.281 45.946 46.600 0.00 0.00 -ATOM 3832 O1 H2O C1278 40.600 35.397 31.670 0.00 0.00 -ATOM 3833 H1 H2O C1278 40.905 34.653 31.075 0.00 0.00 -ATOM 3834 H2 H2O C1278 39.828 35.868 31.244 0.00 0.00 -ATOM 3835 O1 H2O C1279 54.909 41.817 8.173 0.00 0.00 -ATOM 3836 H1 H2O C1279 55.433 42.043 7.352 0.00 0.00 -ATOM 3837 H2 H2O C1279 54.276 42.563 8.380 0.00 0.00 -ATOM 3838 O1 H2O C1280 12.562 4.164 -0.357 0.00 0.00 -ATOM 3839 H1 H2O C1280 12.459 4.967 0.230 0.00 0.00 -ATOM 3840 H2 H2O C1280 13.011 3.432 0.155 0.00 0.00 -ATOM 3841 O1 H2O C1281 15.038 24.020 26.689 0.00 0.00 -ATOM 3842 H1 H2O C1281 15.687 23.759 27.403 0.00 0.00 -ATOM 3843 H2 H2O C1281 14.769 24.975 26.816 0.00 0.00 -ATOM 3844 O1 H2O C1282 31.324 28.766 17.019 0.00 0.00 -ATOM 3845 H1 H2O C1282 31.998 29.504 17.016 0.00 0.00 -ATOM 3846 H2 H2O C1282 31.313 28.319 16.125 0.00 0.00 -ATOM 3847 O1 H2O C1283 29.286 29.560 11.870 0.00 0.00 -ATOM 3848 H1 H2O C1283 30.219 29.310 12.131 0.00 0.00 -ATOM 3849 H2 H2O C1283 29.059 29.130 10.996 0.00 0.00 -ATOM 3850 O1 H2O C1284 10.987 18.115 4.255 0.00 0.00 -ATOM 3851 H1 H2O C1284 10.940 17.132 4.432 0.00 0.00 -ATOM 3852 H2 H2O C1284 11.940 18.383 4.118 0.00 0.00 -ATOM 3853 O1 H2O C1285 4.950 2.450 12.102 0.00 0.00 -ATOM 3854 H1 H2O C1285 3.972 2.553 12.284 0.00 0.00 -ATOM 3855 H2 H2O C1285 5.322 3.320 11.778 0.00 0.00 -ATOM 3856 O1 H2O C1286 31.863 56.596 58.918 0.00 0.00 -ATOM 3857 H1 H2O C1286 31.280 57.159 58.332 0.00 0.00 -ATOM 3858 H2 H2O C1286 32.089 55.745 58.444 0.00 0.00 -ATOM 3859 O1 H2O C1287 54.516 19.359 46.291 0.00 0.00 -ATOM 3860 H1 H2O C1287 54.427 18.616 45.628 0.00 0.00 -ATOM 3861 H2 H2O C1287 54.043 19.110 47.136 0.00 0.00 -ATOM 3862 O1 H2O C1288 49.124 52.524 8.563 0.00 0.00 -ATOM 3863 H1 H2O C1288 48.746 52.607 7.641 0.00 0.00 -ATOM 3864 H2 H2O C1288 49.456 51.592 8.705 0.00 0.00 -ATOM 3865 O1 H2O C1289 26.515 8.246 53.513 0.00 0.00 -ATOM 3866 H1 H2O C1289 27.075 7.503 53.145 0.00 0.00 -ATOM 3867 H2 H2O C1289 26.748 9.100 53.047 0.00 0.00 -ATOM 3868 O1 H2O C1290 2.618 33.378 55.399 0.00 0.00 -ATOM 3869 H1 H2O C1290 2.541 34.188 54.816 0.00 0.00 -ATOM 3870 H2 H2O C1290 1.706 33.089 55.689 0.00 0.00 -ATOM 3871 O1 H2O C1291 44.264 12.165 52.669 0.00 0.00 -ATOM 3872 H1 H2O C1291 43.942 13.110 52.618 0.00 0.00 -ATOM 3873 H2 H2O C1291 44.404 11.810 51.744 0.00 0.00 -ATOM 3874 O1 H2O C1292 30.032 11.723 54.463 0.00 0.00 -ATOM 3875 H1 H2O C1292 29.316 11.450 55.105 0.00 0.00 -ATOM 3876 H2 H2O C1292 30.039 12.720 54.377 0.00 0.00 -ATOM 3877 O1 H2O C1293 13.911 9.802 59.146 0.00 0.00 -ATOM 3878 H1 H2O C1293 14.905 9.738 59.238 0.00 0.00 -ATOM 3879 H2 H2O C1293 13.585 9.080 58.536 0.00 0.00 -ATOM 3880 O1 H2O C1294 40.750 23.809 34.598 0.00 0.00 -ATOM 3881 H1 H2O C1294 39.871 23.451 34.915 0.00 0.00 -ATOM 3882 H2 H2O C1294 41.392 23.838 35.365 0.00 0.00 -ATOM 3883 O1 H2O C1295 55.795 31.219 34.564 0.00 0.00 -ATOM 3884 H1 H2O C1295 55.294 30.764 33.827 0.00 0.00 -ATOM 3885 H2 H2O C1295 55.190 31.346 35.350 0.00 0.00 -ATOM 3886 O1 H2O C1296 13.369 7.922 11.752 0.00 0.00 -ATOM 3887 H1 H2O C1296 13.705 7.103 12.216 0.00 0.00 -ATOM 3888 H2 H2O C1296 13.591 8.730 12.298 0.00 0.00 -ATOM 3889 O1 H2O C1297 21.942 20.619 41.666 0.00 0.00 -ATOM 3890 H1 H2O C1297 22.934 20.584 41.785 0.00 0.00 -ATOM 3891 H2 H2O C1297 21.547 19.727 41.890 0.00 0.00 -ATOM 3892 O1 H2O C1298 47.842 58.312 42.917 0.00 0.00 -ATOM 3893 H1 H2O C1298 48.662 57.902 42.518 0.00 0.00 -ATOM 3894 H2 H2O C1298 47.100 57.642 42.916 0.00 0.00 -ATOM 3895 O1 H2O C1299 18.359 46.053 12.781 0.00 0.00 -ATOM 3896 H1 H2O C1299 17.925 45.173 12.591 0.00 0.00 -ATOM 3897 H2 H2O C1299 18.870 45.995 13.639 0.00 0.00 -ATOM 3898 O1 H2O C1300 39.075 44.356 48.532 0.00 0.00 -ATOM 3899 H1 H2O C1300 38.821 44.698 47.627 0.00 0.00 -ATOM 3900 H2 H2O C1300 38.702 44.964 49.233 0.00 0.00 -ATOM 3901 O1 H2O C1301 34.303 9.888 59.605 0.00 0.00 -ATOM 3902 H1 H2O C1301 35.112 9.353 59.850 0.00 0.00 -ATOM 3903 H2 H2O C1301 34.228 10.676 60.215 0.00 0.00 -ATOM 3904 O1 H2O C1302 52.018 32.749 20.387 0.00 0.00 -ATOM 3905 H1 H2O C1302 51.264 32.789 21.042 0.00 0.00 -ATOM 3906 H2 H2O C1302 52.735 32.148 20.740 0.00 0.00 -ATOM 3907 O1 H2O C1303 12.123 36.896 41.248 0.00 0.00 -ATOM 3908 H1 H2O C1303 11.688 37.025 40.356 0.00 0.00 -ATOM 3909 H2 H2O C1303 12.930 36.315 41.144 0.00 0.00 -ATOM 3910 O1 H2O C1304 56.681 20.490 13.470 0.00 0.00 -ATOM 3911 H1 H2O C1304 56.024 21.055 12.972 0.00 0.00 -ATOM 3912 H2 H2O C1304 56.265 19.606 13.685 0.00 0.00 -ATOM 3913 O1 H2O C1305 0.837 46.398 3.073 0.00 0.00 -ATOM 3914 H1 H2O C1305 0.840 47.196 3.675 0.00 0.00 -ATOM 3915 H2 H2O C1305 1.503 46.531 2.339 0.00 0.00 -ATOM 3916 O1 H2O C1306 40.038 30.298 35.802 0.00 0.00 -ATOM 3917 H1 H2O C1306 40.043 31.282 35.978 0.00 0.00 -ATOM 3918 H2 H2O C1306 40.934 30.016 35.459 0.00 0.00 -ATOM 3919 O1 H2O C1307 56.383 25.627 8.355 0.00 0.00 -ATOM 3920 H1 H2O C1307 56.768 25.264 9.203 0.00 0.00 -ATOM 3921 H2 H2O C1307 55.408 25.409 8.311 0.00 0.00 -ATOM 3922 O1 H2O C1308 19.016 37.496 25.804 0.00 0.00 -ATOM 3923 H1 H2O C1308 18.018 37.565 25.782 0.00 0.00 -ATOM 3924 H2 H2O C1308 19.290 36.559 25.590 0.00 0.00 -ATOM 3925 O1 H2O C1309 17.847 55.228 47.054 0.00 0.00 -ATOM 3926 H1 H2O C1309 17.790 54.435 46.447 0.00 0.00 -ATOM 3927 H2 H2O C1309 18.808 55.450 47.222 0.00 0.00 -ATOM 3928 O1 H2O C1310 1.466 45.949 48.919 0.00 0.00 -ATOM 3929 H1 H2O C1310 1.015 46.603 49.528 0.00 0.00 -ATOM 3930 H2 H2O C1310 2.069 45.357 49.454 0.00 0.00 -ATOM 3931 O1 H2O C1311 19.690 54.543 33.243 0.00 0.00 -ATOM 3932 H1 H2O C1311 19.236 53.651 33.242 0.00 0.00 -ATOM 3933 H2 H2O C1311 20.658 54.424 33.465 0.00 0.00 -ATOM 3934 O1 H2O C1312 6.921 26.480 53.597 0.00 0.00 -ATOM 3935 H1 H2O C1312 7.444 26.341 54.438 0.00 0.00 -ATOM 3936 H2 H2O C1312 6.048 25.995 53.663 0.00 0.00 -ATOM 3937 O1 H2O C1313 35.141 43.151 13.310 0.00 0.00 -ATOM 3938 H1 H2O C1313 35.978 43.511 13.721 0.00 0.00 -ATOM 3939 H2 H2O C1313 34.737 42.468 13.919 0.00 0.00 -ATOM 3940 O1 H2O C1314 43.378 1.134 58.519 0.00 0.00 -ATOM 3941 H1 H2O C1314 43.929 1.115 59.354 0.00 0.00 -ATOM 3942 H2 H2O C1314 42.501 0.684 58.688 0.00 0.00 -ATOM 3943 O1 H2O C1315 42.037 35.692 1.663 0.00 0.00 -ATOM 3944 H1 H2O C1315 42.985 35.867 1.396 0.00 0.00 -ATOM 3945 H2 H2O C1315 41.769 36.334 2.381 0.00 0.00 -ATOM 3946 O1 H2O C1316 24.382 48.152 47.135 0.00 0.00 -ATOM 3947 H1 H2O C1316 24.552 48.343 46.168 0.00 0.00 -ATOM 3948 H2 H2O C1316 23.450 47.807 47.248 0.00 0.00 -ATOM 3949 O1 H2O C1317 40.295 27.107 26.320 0.00 0.00 -ATOM 3950 H1 H2O C1317 40.260 26.654 25.429 0.00 0.00 -ATOM 3951 H2 H2O C1317 41.231 27.407 26.504 0.00 0.00 -ATOM 3952 O1 H2O C1318 28.760 58.871 16.940 0.00 0.00 -ATOM 3953 H1 H2O C1318 27.917 58.860 17.477 0.00 0.00 -ATOM 3954 H2 H2O C1318 29.171 57.959 16.946 0.00 0.00 -ATOM 3955 O1 H2O C1319 5.991 23.905 35.439 0.00 0.00 -ATOM 3956 H1 H2O C1319 5.938 24.891 35.274 0.00 0.00 -ATOM 3957 H2 H2O C1319 6.466 23.466 34.676 0.00 0.00 -ATOM 3958 O1 H2O C1320 16.458 54.312 48.152 0.00 0.00 -ATOM 3959 H1 H2O C1320 16.092 53.385 48.227 0.00 0.00 -ATOM 3960 H2 H2O C1320 15.820 54.958 48.571 0.00 0.00 -ATOM 3961 O1 H2O C1321 48.875 25.029 15.224 0.00 0.00 -ATOM 3962 H1 H2O C1321 48.392 24.924 14.355 0.00 0.00 -ATOM 3963 H2 H2O C1321 49.701 25.575 15.082 0.00 0.00 -ATOM 3964 O1 H2O C1322 46.827 48.354 34.917 0.00 0.00 -ATOM 3965 H1 H2O C1322 46.135 47.805 34.449 0.00 0.00 -ATOM 3966 H2 H2O C1322 46.661 48.329 35.903 0.00 0.00 -ATOM 3967 O1 H2O C1323 22.239 38.969 38.138 0.00 0.00 -ATOM 3968 H1 H2O C1323 21.450 39.104 38.737 0.00 0.00 -ATOM 3969 H2 H2O C1323 22.796 38.214 38.485 0.00 0.00 -ATOM 3970 O1 H2O C1324 35.952 0.975 8.230 0.00 0.00 -ATOM 3971 H1 H2O C1324 35.643 1.845 8.615 0.00 0.00 -ATOM 3972 H2 H2O C1324 36.843 1.100 7.794 0.00 0.00 -ATOM 3973 O1 H2O C1325 59.355 16.235 17.522 0.00 0.00 -ATOM 3974 H1 H2O C1325 58.881 15.371 17.691 0.00 0.00 -ATOM 3975 H2 H2O C1325 59.652 16.628 18.392 0.00 0.00 -ATOM 3976 O1 H2O C1326 15.222 29.363 24.920 0.00 0.00 -ATOM 3977 H1 H2O C1326 15.564 28.479 25.236 0.00 0.00 -ATOM 3978 H2 H2O C1326 14.876 29.272 23.986 0.00 0.00 -ATOM 3979 O1 H2O C1327 57.508 22.473 57.313 0.00 0.00 -ATOM 3980 H1 H2O C1327 58.416 22.197 56.999 0.00 0.00 -ATOM 3981 H2 H2O C1327 57.246 23.328 56.865 0.00 0.00 -ATOM 3982 O1 H2O C1328 40.384 31.338 33.125 0.00 0.00 -ATOM 3983 H1 H2O C1328 41.229 31.588 33.597 0.00 0.00 -ATOM 3984 H2 H2O C1328 40.451 30.394 32.799 0.00 0.00 -ATOM 3985 O1 H2O C1329 4.481 29.387 52.242 0.00 0.00 -ATOM 3986 H1 H2O C1329 4.772 30.282 52.582 0.00 0.00 -ATOM 3987 H2 H2O C1329 4.094 28.855 52.994 0.00 0.00 -ATOM 3988 O1 H2O C1330 52.569 53.490 51.488 0.00 0.00 -ATOM 3989 H1 H2O C1330 52.060 54.172 52.013 0.00 0.00 -ATOM 3990 H2 H2O C1330 52.144 52.593 51.607 0.00 0.00 -ATOM 3991 O1 H2O C1331 9.705 48.290 6.623 0.00 0.00 -ATOM 3992 H1 H2O C1331 9.518 49.005 5.948 0.00 0.00 -ATOM 3993 H2 H2O C1331 9.899 48.711 7.509 0.00 0.00 -ATOM 3994 O1 H2O C1332 46.235 17.822 1.603 0.00 0.00 -ATOM 3995 H1 H2O C1332 47.050 17.242 1.630 0.00 0.00 -ATOM 3996 H2 H2O C1332 45.831 17.871 2.517 0.00 0.00 -ATOM 3997 O1 H2O C1333 37.067 3.539 18.685 0.00 0.00 -ATOM 3998 H1 H2O C1333 36.964 4.180 19.445 0.00 0.00 -ATOM 3999 H2 H2O C1333 36.944 4.025 17.819 0.00 0.00 -ATOM 4000 O1 H2O C1334 -0.088 44.855 19.306 0.00 0.00 -ATOM 4001 H1 H2O C1334 -0.480 44.545 18.439 0.00 0.00 -ATOM 4002 H2 H2O C1334 0.722 44.310 19.519 0.00 0.00 -ATOM 4003 O1 H2O C1335 16.471 48.646 39.852 0.00 0.00 -ATOM 4004 H1 H2O C1335 16.795 47.774 39.484 0.00 0.00 -ATOM 4005 H2 H2O C1335 16.228 49.256 39.099 0.00 0.00 -ATOM 4006 O1 H2O C1336 15.489 46.858 6.191 0.00 0.00 -ATOM 4007 H1 H2O C1336 14.973 47.702 6.049 0.00 0.00 -ATOM 4008 H2 H2O C1336 16.267 46.833 5.563 0.00 0.00 -ATOM 4009 O1 H2O C1337 21.086 42.017 20.154 0.00 0.00 -ATOM 4010 H1 H2O C1337 21.244 42.954 20.463 0.00 0.00 -ATOM 4011 H2 H2O C1337 21.945 41.625 19.824 0.00 0.00 -ATOM 4012 O1 H2O C1338 42.711 46.118 5.045 0.00 0.00 -ATOM 4013 H1 H2O C1338 41.733 46.066 5.251 0.00 0.00 -ATOM 4014 H2 H2O C1338 42.846 46.034 4.057 0.00 0.00 -ATOM 4015 O1 H2O C1339 14.524 13.542 5.512 0.00 0.00 -ATOM 4016 H1 H2O C1339 14.112 12.776 6.006 0.00 0.00 -ATOM 4017 H2 H2O C1339 15.518 13.504 5.606 0.00 0.00 -ATOM 4018 O1 H2O C1340 20.763 26.548 47.983 0.00 0.00 -ATOM 4019 H1 H2O C1340 21.231 26.091 47.226 0.00 0.00 -ATOM 4020 H2 H2O C1340 20.634 25.899 48.734 0.00 0.00 -ATOM 4021 O1 H2O C1341 12.906 49.934 22.043 0.00 0.00 -ATOM 4022 H1 H2O C1341 13.155 50.867 21.784 0.00 0.00 -ATOM 4023 H2 H2O C1341 12.764 49.889 23.032 0.00 0.00 -ATOM 4024 O1 H2O C1342 55.484 11.907 26.747 0.00 0.00 -ATOM 4025 H1 H2O C1342 55.846 12.828 26.891 0.00 0.00 -ATOM 4026 H2 H2O C1342 56.240 11.276 26.571 0.00 0.00 -ATOM 4027 O1 H2O C1343 45.895 15.116 53.264 0.00 0.00 -ATOM 4028 H1 H2O C1343 45.703 14.139 53.353 0.00 0.00 -ATOM 4029 H2 H2O C1343 45.438 15.614 54.001 0.00 0.00 -ATOM 4030 O1 H2O C1344 39.978 57.323 15.700 0.00 0.00 -ATOM 4031 H1 H2O C1344 40.246 56.937 16.583 0.00 0.00 -ATOM 4032 H2 H2O C1344 40.196 56.673 14.972 0.00 0.00 -ATOM 4033 O1 H2O C1345 21.154 43.059 58.261 0.00 0.00 -ATOM 4034 H1 H2O C1345 20.704 43.262 57.392 0.00 0.00 -ATOM 4035 H2 H2O C1345 21.312 42.074 58.333 0.00 0.00 -ATOM 4036 O1 H2O C1346 59.336 22.624 0.927 0.00 0.00 -ATOM 4037 H1 H2O C1346 60.069 22.941 1.529 0.00 0.00 -ATOM 4038 H2 H2O C1346 59.076 21.692 1.180 0.00 0.00 -ATOM 4039 O1 H2O C1347 43.032 2.555 41.113 0.00 0.00 -ATOM 4040 H1 H2O C1347 42.330 1.984 40.687 0.00 0.00 -ATOM 4041 H2 H2O C1347 43.922 2.107 41.027 0.00 0.00 -ATOM 4042 O1 H2O C1348 40.487 47.584 24.716 0.00 0.00 -ATOM 4043 H1 H2O C1348 40.336 48.131 23.893 0.00 0.00 -ATOM 4044 H2 H2O C1348 41.357 47.846 25.135 0.00 0.00 -ATOM 4045 O1 H2O C1349 51.061 10.073 39.145 0.00 0.00 -ATOM 4046 H1 H2O C1349 51.715 10.543 39.739 0.00 0.00 -ATOM 4047 H2 H2O C1349 51.541 9.700 38.351 0.00 0.00 -ATOM 4048 O1 H2O C1350 30.808 0.662 5.742 0.00 0.00 -ATOM 4049 H1 H2O C1350 31.561 0.059 6.005 0.00 0.00 -ATOM 4050 H2 H2O C1350 29.990 0.421 6.264 0.00 0.00 -ATOM 4051 O1 H2O C1351 58.370 25.628 52.327 0.00 0.00 -ATOM 4052 H1 H2O C1351 58.765 25.053 51.610 0.00 0.00 -ATOM 4053 H2 H2O C1351 57.381 25.486 52.361 0.00 0.00 -ATOM 4054 O1 H2O C1352 11.252 11.427 34.658 0.00 0.00 -ATOM 4055 H1 H2O C1352 11.099 11.266 35.633 0.00 0.00 -ATOM 4056 H2 H2O C1352 11.458 12.394 34.508 0.00 0.00 -ATOM 4057 O1 H2O C1353 33.544 8.087 18.688 0.00 0.00 -ATOM 4058 H1 H2O C1353 32.764 7.471 18.806 0.00 0.00 -ATOM 4059 H2 H2O C1353 34.197 7.678 18.050 0.00 0.00 -ATOM 4060 O1 H2O C1354 52.077 45.246 40.072 0.00 0.00 -ATOM 4061 H1 H2O C1354 52.678 44.460 39.927 0.00 0.00 -ATOM 4062 H2 H2O C1354 52.343 45.719 40.912 0.00 0.00 -ATOM 4063 O1 H2O C1355 46.766 28.324 17.031 0.00 0.00 -ATOM 4064 H1 H2O C1355 47.594 28.311 16.470 0.00 0.00 -ATOM 4065 H2 H2O C1355 46.121 28.991 16.659 0.00 0.00 -ATOM 4066 O1 H2O C1356 14.510 56.134 12.671 0.00 0.00 -ATOM 4067 H1 H2O C1356 14.789 55.700 11.814 0.00 0.00 -ATOM 4068 H2 H2O C1356 13.661 55.718 12.995 0.00 0.00 -ATOM 4069 O1 H2O C1357 50.554 59.768 39.147 0.00 0.00 -ATOM 4070 H1 H2O C1357 49.721 60.294 38.975 0.00 0.00 -ATOM 4071 H2 H2O C1357 50.814 59.275 38.317 0.00 0.00 -ATOM 4072 O1 H2O C1358 10.843 11.178 60.056 0.00 0.00 -ATOM 4073 H1 H2O C1358 10.116 11.198 60.742 0.00 0.00 -ATOM 4074 H2 H2O C1358 10.475 10.839 59.190 0.00 0.00 -ATOM 4075 O1 H2O C1359 8.822 18.976 17.997 0.00 0.00 -ATOM 4076 H1 H2O C1359 9.689 19.245 17.578 0.00 0.00 -ATOM 4077 H2 H2O C1359 8.674 19.510 18.830 0.00 0.00 -ATOM 4078 O1 H2O C1360 12.283 34.008 2.669 0.00 0.00 -ATOM 4079 H1 H2O C1360 12.723 33.460 1.957 0.00 0.00 -ATOM 4080 H2 H2O C1360 11.550 34.554 2.264 0.00 0.00 -ATOM 4081 O1 H2O C1361 8.128 12.750 14.393 0.00 0.00 -ATOM 4082 H1 H2O C1361 8.165 13.746 14.311 0.00 0.00 -ATOM 4083 H2 H2O C1361 7.498 12.383 13.708 0.00 0.00 -ATOM 4084 O1 H2O C1362 22.418 26.138 3.689 0.00 0.00 -ATOM 4085 H1 H2O C1362 22.733 25.641 2.881 0.00 0.00 -ATOM 4086 H2 H2O C1362 21.841 26.904 3.405 0.00 0.00 -ATOM 4087 O1 H2O C1363 51.281 34.323 1.613 0.00 0.00 -ATOM 4088 H1 H2O C1363 50.649 34.577 0.881 0.00 0.00 -ATOM 4089 H2 H2O C1363 51.944 33.659 1.265 0.00 0.00 -ATOM 4090 O1 H2O C1364 48.687 23.556 38.803 0.00 0.00 -ATOM 4091 H1 H2O C1364 47.772 23.306 38.485 0.00 0.00 -ATOM 4092 H2 H2O C1364 49.372 23.046 38.283 0.00 0.00 -ATOM 4093 O1 H2O C1365 18.309 48.179 3.936 0.00 0.00 -ATOM 4094 H1 H2O C1365 18.964 47.476 4.214 0.00 0.00 -ATOM 4095 H2 H2O C1365 18.764 48.845 3.345 0.00 0.00 -ATOM 4096 O1 H2O C1366 22.296 55.886 51.886 0.00 0.00 -ATOM 4097 H1 H2O C1366 23.174 55.440 51.710 0.00 0.00 -ATOM 4098 H2 H2O C1366 22.118 56.565 51.174 0.00 0.00 -ATOM 4099 O1 H2O C1367 36.771 52.690 33.341 0.00 0.00 -ATOM 4100 H1 H2O C1367 36.423 51.752 33.327 0.00 0.00 -ATOM 4101 H2 H2O C1367 36.624 53.113 32.447 0.00 0.00 -ATOM 4102 O1 H2O C1368 15.741 36.854 8.103 0.00 0.00 -ATOM 4103 H1 H2O C1368 16.737 36.939 8.151 0.00 0.00 -ATOM 4104 H2 H2O C1368 15.478 36.544 7.189 0.00 0.00 -ATOM 4105 O1 H2O C1369 26.810 1.290 28.930 0.00 0.00 -ATOM 4106 H1 H2O C1369 26.548 2.029 29.551 0.00 0.00 -ATOM 4107 H2 H2O C1369 27.267 1.675 28.128 0.00 0.00 -ATOM 4108 O1 H2O C1370 5.092 33.396 51.502 0.00 0.00 -ATOM 4109 H1 H2O C1370 5.020 33.562 52.485 0.00 0.00 -ATOM 4110 H2 H2O C1370 5.223 32.418 51.338 0.00 0.00 -ATOM 4111 O1 H2O C1371 21.829 29.661 24.294 0.00 0.00 -ATOM 4112 H1 H2O C1371 22.460 29.322 24.992 0.00 0.00 -ATOM 4113 H2 H2O C1371 22.348 29.985 23.503 0.00 0.00 -ATOM 4114 O1 H2O C1372 41.281 43.486 5.329 0.00 0.00 -ATOM 4115 H1 H2O C1372 41.164 42.495 5.267 0.00 0.00 -ATOM 4116 H2 H2O C1372 42.243 43.718 5.182 0.00 0.00 -ATOM 4117 O1 H2O C1373 23.894 19.930 53.772 0.00 0.00 -ATOM 4118 H1 H2O C1373 23.568 19.700 54.689 0.00 0.00 -ATOM 4119 H2 H2O C1373 23.688 19.177 53.146 0.00 0.00 -ATOM 4120 O1 H2O C1374 12.723 38.693 17.520 0.00 0.00 -ATOM 4121 H1 H2O C1374 11.908 39.242 17.704 0.00 0.00 -ATOM 4122 H2 H2O C1374 13.535 39.275 17.568 0.00 0.00 -ATOM 4123 O1 H2O C1375 24.690 30.903 31.097 0.00 0.00 -ATOM 4124 H1 H2O C1375 24.215 31.108 30.241 0.00 0.00 -ATOM 4125 H2 H2O C1375 25.138 30.012 31.024 0.00 0.00 -ATOM 4126 O1 H2O C1376 51.561 14.056 16.096 0.00 0.00 -ATOM 4127 H1 H2O C1376 51.705 13.075 16.220 0.00 0.00 -ATOM 4128 H2 H2O C1376 51.459 14.258 15.122 0.00 0.00 -ATOM 4129 O1 H2O C1377 35.885 37.852 1.965 0.00 0.00 -ATOM 4130 H1 H2O C1377 36.724 38.110 2.444 0.00 0.00 -ATOM 4131 H2 H2O C1377 35.261 37.403 2.604 0.00 0.00 -ATOM 4132 O1 H2O C1378 24.469 57.278 20.812 0.00 0.00 -ATOM 4133 H1 H2O C1378 24.335 58.137 21.306 0.00 0.00 -ATOM 4134 H2 H2O C1378 25.309 57.332 20.272 0.00 0.00 -ATOM 4135 O1 H2O C1379 59.370 25.928 14.141 0.00 0.00 -ATOM 4136 H1 H2O C1379 59.854 25.361 13.474 0.00 0.00 -ATOM 4137 H2 H2O C1379 58.427 25.607 14.229 0.00 0.00 -ATOM 4138 O1 H2O C1380 8.266 42.251 19.146 0.00 0.00 -ATOM 4139 H1 H2O C1380 7.986 41.293 19.216 0.00 0.00 -ATOM 4140 H2 H2O C1380 9.202 42.350 19.484 0.00 0.00 -ATOM 4141 O1 H2O C1381 38.893 48.227 52.216 0.00 0.00 -ATOM 4142 H1 H2O C1381 38.946 47.806 53.122 0.00 0.00 -ATOM 4143 H2 H2O C1381 38.079 48.804 52.164 0.00 0.00 -ATOM 4144 O1 H2O C1382 16.813 56.262 18.737 0.00 0.00 -ATOM 4145 H1 H2O C1382 16.731 56.077 19.716 0.00 0.00 -ATOM 4146 H2 H2O C1382 16.580 55.438 18.221 0.00 0.00 -ATOM 4147 O1 H2O C1383 56.664 55.708 6.616 0.00 0.00 -ATOM 4148 H1 H2O C1383 57.444 56.333 6.588 0.00 0.00 -ATOM 4149 H2 H2O C1383 55.828 56.208 6.391 0.00 0.00 -ATOM 4150 O1 H2O C1384 42.381 52.146 35.199 0.00 0.00 -ATOM 4151 H1 H2O C1384 41.564 51.976 35.751 0.00 0.00 -ATOM 4152 H2 H2O C1384 43.138 52.411 35.797 0.00 0.00 -ATOM 4153 O1 H2O C1385 33.709 59.192 44.827 0.00 0.00 -ATOM 4154 H1 H2O C1385 32.820 59.647 44.873 0.00 0.00 -ATOM 4155 H2 H2O C1385 33.578 58.201 44.842 0.00 0.00 -ATOM 4156 O1 H2O C1386 41.053 45.123 50.688 0.00 0.00 -ATOM 4157 H1 H2O C1386 40.616 45.971 50.989 0.00 0.00 -ATOM 4158 H2 H2O C1386 40.356 44.490 50.351 0.00 0.00 -ATOM 4159 O1 H2O C1387 42.903 43.946 45.339 0.00 0.00 -ATOM 4160 H1 H2O C1387 42.715 44.733 45.927 0.00 0.00 -ATOM 4161 H2 H2O C1387 42.042 43.511 45.077 0.00 0.00 -ATOM 4162 O1 H2O C1388 57.850 47.405 40.862 0.00 0.00 -ATOM 4163 H1 H2O C1388 57.726 47.169 41.826 0.00 0.00 -ATOM 4164 H2 H2O C1388 58.571 46.835 40.469 0.00 0.00 -ATOM 4165 O1 H2O C1389 3.963 50.596 13.550 0.00 0.00 -ATOM 4166 H1 H2O C1389 4.172 49.989 14.317 0.00 0.00 -ATOM 4167 H2 H2O C1389 3.414 50.103 12.874 0.00 0.00 -ATOM 4168 O1 H2O C1390 25.507 54.915 49.423 0.00 0.00 -ATOM 4169 H1 H2O C1390 25.599 55.888 49.208 0.00 0.00 -ATOM 4170 H2 H2O C1390 25.769 54.372 48.625 0.00 0.00 -ATOM 4171 O1 H2O C1391 9.358 55.807 34.068 0.00 0.00 -ATOM 4172 H1 H2O C1391 9.322 54.816 33.936 0.00 0.00 -ATOM 4173 H2 H2O C1391 10.154 56.040 34.626 0.00 0.00 -ATOM 4174 O1 H2O C1392 6.909 5.340 23.549 0.00 0.00 -ATOM 4175 H1 H2O C1392 6.725 5.746 22.654 0.00 0.00 -ATOM 4176 H2 H2O C1392 7.055 4.356 23.445 0.00 0.00 -ATOM 4177 O1 H2O C1393 41.043 3.330 46.546 0.00 0.00 -ATOM 4178 H1 H2O C1393 40.748 3.673 45.655 0.00 0.00 -ATOM 4179 H2 H2O C1393 40.361 3.568 47.238 0.00 0.00 -ATOM 4180 O1 H2O C1394 59.083 52.388 12.999 0.00 0.00 -ATOM 4181 H1 H2O C1394 58.117 52.595 12.841 0.00 0.00 -ATOM 4182 H2 H2O C1394 59.644 52.905 12.353 0.00 0.00 -ATOM 4183 O1 H2O C1395 41.818 13.010 1.860 0.00 0.00 -ATOM 4184 H1 H2O C1395 41.767 12.036 2.082 0.00 0.00 -ATOM 4185 H2 H2O C1395 42.773 13.268 1.711 0.00 0.00 -ATOM 4186 O1 H2O C1396 42.897 23.324 23.690 0.00 0.00 -ATOM 4187 H1 H2O C1396 42.829 22.414 24.099 0.00 0.00 -ATOM 4188 H2 H2O C1396 43.639 23.333 23.020 0.00 0.00 -ATOM 4189 O1 H2O C1397 49.086 41.907 51.096 0.00 0.00 -ATOM 4190 H1 H2O C1397 48.722 42.003 52.022 0.00 0.00 -ATOM 4191 H2 H2O C1397 49.953 42.399 51.025 0.00 0.00 -ATOM 4192 O1 H2O C1398 55.081 10.502 5.177 0.00 0.00 -ATOM 4193 H1 H2O C1398 54.809 10.140 4.285 0.00 0.00 -ATOM 4194 H2 H2O C1398 54.264 10.726 5.708 0.00 0.00 -ATOM 4195 O1 H2O C1399 13.286 52.483 42.876 0.00 0.00 -ATOM 4196 H1 H2O C1399 12.411 51.998 42.878 0.00 0.00 -ATOM 4197 H2 H2O C1399 13.697 52.432 43.787 0.00 0.00 -ATOM 4198 O1 H2O C1400 8.249 5.692 39.237 0.00 0.00 -ATOM 4199 H1 H2O C1400 8.071 5.914 38.278 0.00 0.00 -ATOM 4200 H2 H2O C1400 9.233 5.587 39.378 0.00 0.00 -ATOM 4201 O1 H2O C1401 50.845 39.500 25.497 0.00 0.00 -ATOM 4202 H1 H2O C1401 50.915 40.473 25.274 0.00 0.00 -ATOM 4203 H2 H2O C1401 51.761 39.112 25.590 0.00 0.00 -ATOM 4204 O1 H2O C1402 46.055 54.343 16.151 0.00 0.00 -ATOM 4205 H1 H2O C1402 45.595 53.488 15.912 0.00 0.00 -ATOM 4206 H2 H2O C1402 46.938 54.140 16.574 0.00 0.00 -ATOM 4207 O1 H2O C1403 8.631 14.135 55.090 0.00 0.00 -ATOM 4208 H1 H2O C1403 7.733 14.108 55.530 0.00 0.00 -ATOM 4209 H2 H2O C1403 8.526 13.979 54.108 0.00 0.00 -ATOM 4210 O1 H2O C1404 49.273 19.499 13.831 0.00 0.00 -ATOM 4211 H1 H2O C1404 49.211 20.494 13.748 0.00 0.00 -ATOM 4212 H2 H2O C1404 49.184 19.084 12.924 0.00 0.00 -ATOM 4213 O1 H2O C1405 30.710 27.373 14.183 0.00 0.00 -ATOM 4214 H1 H2O C1405 31.305 27.958 14.734 0.00 0.00 -ATOM 4215 H2 H2O C1405 29.758 27.652 14.310 0.00 0.00 -ATOM 4216 O1 H2O C1406 57.192 11.467 39.542 0.00 0.00 -ATOM 4217 H1 H2O C1406 57.872 10.895 39.083 0.00 0.00 -ATOM 4218 H2 H2O C1406 56.639 11.941 38.857 0.00 0.00 -ATOM 4219 O1 H2O C1407 50.886 15.810 20.170 0.00 0.00 -ATOM 4220 H1 H2O C1407 50.014 16.250 20.383 0.00 0.00 -ATOM 4221 H2 H2O C1407 51.509 15.911 20.946 0.00 0.00 -ATOM 4222 O1 H2O C1408 0.877 18.748 14.438 0.00 0.00 -ATOM 4223 H1 H2O C1408 1.185 19.268 13.641 0.00 0.00 -ATOM 4224 H2 H2O C1408 1.579 18.085 14.695 0.00 0.00 -ATOM 4225 O1 H2O C1409 14.347 53.802 34.286 0.00 0.00 -ATOM 4226 H1 H2O C1409 13.890 53.549 35.139 0.00 0.00 -ATOM 4227 H2 H2O C1409 15.194 54.292 34.494 0.00 0.00 -ATOM 4228 O1 H2O C1410 22.901 29.245 5.936 0.00 0.00 -ATOM 4229 H1 H2O C1410 21.934 29.196 5.686 0.00 0.00 -ATOM 4230 H2 H2O C1410 23.176 28.390 6.376 0.00 0.00 -ATOM 4231 O1 H2O C1411 52.261 1.272 29.473 0.00 0.00 -ATOM 4232 H1 H2O C1411 52.962 0.964 30.117 0.00 0.00 -ATOM 4233 H2 H2O C1411 52.664 1.361 28.561 0.00 0.00 -ATOM 4234 O1 H2O C1412 27.814 24.220 7.226 0.00 0.00 -ATOM 4235 H1 H2O C1412 28.059 23.540 7.917 0.00 0.00 -ATOM 4236 H2 H2O C1412 27.162 24.871 7.616 0.00 0.00 -ATOM 4237 O1 H2O C1413 52.558 58.293 15.837 0.00 0.00 -ATOM 4238 H1 H2O C1413 52.853 57.581 16.474 0.00 0.00 -ATOM 4239 H2 H2O C1413 52.125 57.870 15.042 0.00 0.00 -ATOM 4240 O1 H2O C1414 22.292 41.594 8.647 0.00 0.00 -ATOM 4241 H1 H2O C1414 22.332 42.440 8.115 0.00 0.00 -ATOM 4242 H2 H2O C1414 23.201 41.383 9.006 0.00 0.00 -ATOM 4243 O1 H2O C1415 46.743 13.872 21.212 0.00 0.00 -ATOM 4244 H1 H2O C1415 46.755 14.805 21.569 0.00 0.00 -ATOM 4245 H2 H2O C1415 47.345 13.812 20.416 0.00 0.00 -ATOM 4246 O1 H2O C1416 9.791 9.462 42.171 0.00 0.00 -ATOM 4247 H1 H2O C1416 9.403 10.239 41.676 0.00 0.00 -ATOM 4248 H2 H2O C1416 10.337 8.906 41.545 0.00 0.00 -ATOM 4249 O1 H2O C1417 51.498 51.694 19.070 0.00 0.00 -ATOM 4250 H1 H2O C1417 51.218 50.811 18.694 0.00 0.00 -ATOM 4251 H2 H2O C1417 50.717 52.319 19.072 0.00 0.00 -ATOM 4252 O1 H2O C1418 38.523 31.194 9.416 0.00 0.00 -ATOM 4253 H1 H2O C1418 38.441 31.025 8.434 0.00 0.00 -ATOM 4254 H2 H2O C1418 37.901 31.930 9.681 0.00 0.00 -ATOM 4255 O1 H2O C1419 53.360 26.887 44.347 0.00 0.00 -ATOM 4256 H1 H2O C1419 53.214 26.015 43.879 0.00 0.00 -ATOM 4257 H2 H2O C1419 52.503 27.188 44.766 0.00 0.00 -ATOM 4258 O1 H2O C1420 42.831 11.713 25.746 0.00 0.00 -ATOM 4259 H1 H2O C1420 43.352 12.519 26.028 0.00 0.00 -ATOM 4260 H2 H2O C1420 41.964 11.686 26.242 0.00 0.00 -ATOM 4261 O1 H2O C1421 4.264 50.389 14.906 0.00 0.00 -ATOM 4262 H1 H2O C1421 3.950 49.728 15.588 0.00 0.00 -ATOM 4263 H2 H2O C1421 5.005 49.987 14.368 0.00 0.00 -ATOM 4264 O1 H2O C1422 5.989 34.780 52.831 0.00 0.00 -ATOM 4265 H1 H2O C1422 6.294 35.046 53.746 0.00 0.00 -ATOM 4266 H2 H2O C1422 6.408 33.908 52.580 0.00 0.00 -ATOM 4267 O1 H2O C1423 39.450 17.110 54.789 0.00 0.00 -ATOM 4268 H1 H2O C1423 39.746 16.353 54.207 0.00 0.00 -ATOM 4269 H2 H2O C1423 39.629 16.883 55.747 0.00 0.00 -ATOM 4270 O1 H2O C1424 55.370 35.030 51.021 0.00 0.00 -ATOM 4271 H1 H2O C1424 55.286 35.205 52.001 0.00 0.00 -ATOM 4272 H2 H2O C1424 56.133 34.404 50.858 0.00 0.00 -ATOM 4273 O1 H2O C1425 58.380 46.021 29.578 0.00 0.00 -ATOM 4274 H1 H2O C1425 57.612 45.995 30.219 0.00 0.00 -ATOM 4275 H2 H2O C1425 59.074 46.656 29.915 0.00 0.00 -ATOM 4276 O1 H2O C1426 8.026 42.255 35.779 0.00 0.00 -ATOM 4277 H1 H2O C1426 7.781 42.262 34.809 0.00 0.00 -ATOM 4278 H2 H2O C1426 8.946 42.631 35.893 0.00 0.00 -ATOM 4279 O1 H2O C1427 53.782 27.327 37.913 0.00 0.00 -ATOM 4280 H1 H2O C1427 52.987 27.067 37.366 0.00 0.00 -ATOM 4281 H2 H2O C1427 54.260 28.085 37.469 0.00 0.00 -ATOM 4282 O1 H2O C1428 21.109 45.959 35.722 0.00 0.00 -ATOM 4283 H1 H2O C1428 20.261 46.488 35.748 0.00 0.00 -ATOM 4284 H2 H2O C1428 21.097 45.275 36.452 0.00 0.00 -ATOM 4285 O1 H2O C1429 28.937 59.078 22.781 0.00 0.00 -ATOM 4286 H1 H2O C1429 28.625 58.198 23.140 0.00 0.00 -ATOM 4287 H2 H2O C1429 28.618 59.186 21.839 0.00 0.00 -ATOM 4288 O1 H2O C1430 9.997 17.214 57.397 0.00 0.00 -ATOM 4289 H1 H2O C1430 10.078 17.359 56.410 0.00 0.00 -ATOM 4290 H2 H2O C1430 9.507 16.358 57.567 0.00 0.00 -ATOM 4291 O1 H2O C1431 55.259 52.884 40.757 0.00 0.00 -ATOM 4292 H1 H2O C1431 56.201 53.190 40.892 0.00 0.00 -ATOM 4293 H2 H2O C1431 54.861 52.632 41.640 0.00 0.00 -ATOM 4294 O1 H2O C1432 7.664 59.425 35.945 0.00 0.00 -ATOM 4295 H1 H2O C1432 7.587 58.428 35.942 0.00 0.00 -ATOM 4296 H2 H2O C1432 8.333 59.705 36.634 0.00 0.00 -ATOM 4297 O1 H2O C1433 1.692 21.525 36.011 0.00 0.00 -ATOM 4298 H1 H2O C1433 1.499 20.581 35.745 0.00 0.00 -ATOM 4299 H2 H2O C1433 0.834 22.035 36.073 0.00 0.00 -ATOM 4300 O1 H2O C1434 1.040 57.316 0.401 0.00 0.00 -ATOM 4301 H1 H2O C1434 1.412 57.029 1.284 0.00 0.00 -ATOM 4302 H2 H2O C1434 1.782 57.388 -0.265 0.00 0.00 -ATOM 4303 O1 H2O C1435 46.659 34.743 12.171 0.00 0.00 -ATOM 4304 H1 H2O C1435 45.920 35.163 11.642 0.00 0.00 -ATOM 4305 H2 H2O C1435 46.344 34.576 13.107 0.00 0.00 -ATOM 4306 O1 H2O C1436 28.190 47.573 33.829 0.00 0.00 -ATOM 4307 H1 H2O C1436 27.894 46.862 33.191 0.00 0.00 -ATOM 4308 H2 H2O C1436 27.872 48.464 33.508 0.00 0.00 -ATOM 4309 O1 H2O C1437 28.155 22.212 18.202 0.00 0.00 -ATOM 4310 H1 H2O C1437 28.667 21.528 17.683 0.00 0.00 -ATOM 4311 H2 H2O C1437 27.934 21.847 19.107 0.00 0.00 -ATOM 4312 O1 H2O C1438 11.685 9.914 5.973 0.00 0.00 -ATOM 4313 H1 H2O C1438 12.396 10.062 6.661 0.00 0.00 -ATOM 4314 H2 H2O C1438 11.249 9.028 6.131 0.00 0.00 -ATOM 4315 O1 H2O C1439 46.334 57.503 23.252 0.00 0.00 -ATOM 4316 H1 H2O C1439 47.184 57.930 22.942 0.00 0.00 -ATOM 4317 H2 H2O C1439 45.574 57.825 22.687 0.00 0.00 -ATOM 4318 O1 H2O C1440 36.895 27.422 15.474 0.00 0.00 -ATOM 4319 H1 H2O C1440 37.797 27.609 15.084 0.00 0.00 -ATOM 4320 H2 H2O C1440 36.196 27.542 14.769 0.00 0.00 -ATOM 4321 O1 H2O C1441 11.799 3.248 43.605 0.00 0.00 -ATOM 4322 H1 H2O C1441 11.143 2.766 44.186 0.00 0.00 -ATOM 4323 H2 H2O C1441 12.729 3.017 43.890 0.00 0.00 -ATOM 4324 O1 H2O C1442 29.047 44.010 0.666 0.00 0.00 -ATOM 4325 H1 H2O C1442 29.908 43.660 0.296 0.00 0.00 -ATOM 4326 H2 H2O C1442 28.719 43.395 1.384 0.00 0.00 -ATOM 4327 O1 H2O C1443 6.883 4.930 53.873 0.00 0.00 -ATOM 4328 H1 H2O C1443 6.759 4.612 52.934 0.00 0.00 -ATOM 4329 H2 H2O C1443 7.714 4.527 54.255 0.00 0.00 -ATOM 4330 O1 H2O C1444 48.677 47.118 2.307 0.00 0.00 -ATOM 4331 H1 H2O C1444 49.433 46.764 1.757 0.00 0.00 -ATOM 4332 H2 H2O C1444 47.892 47.302 1.716 0.00 0.00 -ATOM 4333 O1 H2O C1445 51.729 43.734 28.500 0.00 0.00 -ATOM 4334 H1 H2O C1445 52.417 43.044 28.277 0.00 0.00 -ATOM 4335 H2 H2O C1445 50.943 43.294 28.935 0.00 0.00 -ATOM 4336 O1 H2O C1446 14.530 56.375 6.171 0.00 0.00 -ATOM 4337 H1 H2O C1446 15.202 57.090 5.979 0.00 0.00 -ATOM 4338 H2 H2O C1446 14.167 56.018 5.310 0.00 0.00 -ATOM 4339 O1 H2O C1447 7.641 20.356 25.252 0.00 0.00 -ATOM 4340 H1 H2O C1447 7.752 20.246 26.240 0.00 0.00 -ATOM 4341 H2 H2O C1447 7.737 19.467 24.805 0.00 0.00 -ATOM 4342 O1 H2O C1448 39.097 40.027 35.630 0.00 0.00 -ATOM 4343 H1 H2O C1448 39.236 40.206 36.605 0.00 0.00 -ATOM 4344 H2 H2O C1448 38.301 39.433 35.512 0.00 0.00 -ATOM 4345 O1 H2O C1449 14.045 20.155 5.410 0.00 0.00 -ATOM 4346 H1 H2O C1449 14.346 19.236 5.155 0.00 0.00 -ATOM 4347 H2 H2O C1449 14.537 20.831 4.860 0.00 0.00 -ATOM 4348 O1 H2O C1450 32.948 9.778 49.211 0.00 0.00 -ATOM 4349 H1 H2O C1450 33.926 9.589 49.306 0.00 0.00 -ATOM 4350 H2 H2O C1450 32.768 10.156 48.303 0.00 0.00 -ATOM 4351 O1 H2O C1451 38.665 25.834 13.151 0.00 0.00 -ATOM 4352 H1 H2O C1451 37.772 25.551 12.801 0.00 0.00 -ATOM 4353 H2 H2O C1451 38.673 25.754 14.148 0.00 0.00 -ATOM 4354 O1 H2O C1452 49.405 28.003 8.611 0.00 0.00 -ATOM 4355 H1 H2O C1452 50.192 27.400 8.481 0.00 0.00 -ATOM 4356 H2 H2O C1452 49.599 28.651 9.347 0.00 0.00 -ATOM 4357 O1 H2O C1453 16.616 2.310 38.921 0.00 0.00 -ATOM 4358 H1 H2O C1453 16.401 1.338 39.022 0.00 0.00 -ATOM 4359 H2 H2O C1453 17.217 2.598 39.666 0.00 0.00 -ATOM 4360 O1 H2O C1454 12.980 30.966 3.304 0.00 0.00 -ATOM 4361 H1 H2O C1454 12.251 31.457 2.827 0.00 0.00 -ATOM 4362 H2 H2O C1454 12.789 29.984 3.284 0.00 0.00 -ATOM 4363 O1 H2O C1455 19.655 53.151 41.918 0.00 0.00 -ATOM 4364 H1 H2O C1455 19.789 53.325 40.942 0.00 0.00 -ATOM 4365 H2 H2O C1455 19.039 52.372 42.035 0.00 0.00 -ATOM 4366 O1 H2O C1456 47.552 54.951 51.159 0.00 0.00 -ATOM 4367 H1 H2O C1456 46.692 54.694 50.716 0.00 0.00 -ATOM 4368 H2 H2O C1456 47.899 54.174 51.686 0.00 0.00 -ATOM 4369 O1 H2O C1457 41.178 45.490 38.409 0.00 0.00 -ATOM 4370 H1 H2O C1457 41.821 44.729 38.319 0.00 0.00 -ATOM 4371 H2 H2O C1457 40.849 45.538 39.352 0.00 0.00 -ATOM 4372 O1 H2O C1458 43.914 20.740 44.957 0.00 0.00 -ATOM 4373 H1 H2O C1458 44.284 21.260 44.187 0.00 0.00 -ATOM 4374 H2 H2O C1458 42.937 20.580 44.813 0.00 0.00 -ATOM 4375 O1 H2O C1459 8.138 47.324 41.632 0.00 0.00 -ATOM 4376 H1 H2O C1459 7.143 47.220 41.641 0.00 0.00 -ATOM 4377 H2 H2O C1459 8.391 48.056 40.999 0.00 0.00 -ATOM 4378 O1 H2O C1460 8.641 44.814 27.687 0.00 0.00 -ATOM 4379 H1 H2O C1460 8.053 44.953 28.484 0.00 0.00 -ATOM 4380 H2 H2O C1460 8.098 44.444 26.933 0.00 0.00 -ATOM 4381 O1 H2O C1461 48.598 21.661 42.809 0.00 0.00 -ATOM 4382 H1 H2O C1461 48.186 22.000 41.963 0.00 0.00 -ATOM 4383 H2 H2O C1461 47.876 21.361 43.433 0.00 0.00 -ATOM 4384 O1 H2O C1462 4.180 31.412 27.026 0.00 0.00 -ATOM 4385 H1 H2O C1462 4.970 32.020 26.953 0.00 0.00 -ATOM 4386 H2 H2O C1462 3.867 31.160 26.110 0.00 0.00 -ATOM 4387 O1 H2O C1463 6.730 1.233 1.718 0.00 0.00 -ATOM 4388 H1 H2O C1463 6.962 0.278 1.906 0.00 0.00 -ATOM 4389 H2 H2O C1463 5.848 1.275 1.249 0.00 0.00 -ATOM 4390 O1 H2O C1464 38.234 56.697 29.882 0.00 0.00 -ATOM 4391 H1 H2O C1464 39.211 56.567 30.056 0.00 0.00 -ATOM 4392 H2 H2O C1464 38.098 57.550 29.376 0.00 0.00 -ATOM 4393 O1 H2O C1465 47.280 34.295 49.235 0.00 0.00 -ATOM 4394 H1 H2O C1465 46.905 35.148 49.601 0.00 0.00 -ATOM 4395 H2 H2O C1465 47.163 33.565 49.909 0.00 0.00 -ATOM 4396 O1 H2O C1466 18.682 28.886 5.608 0.00 0.00 -ATOM 4397 H1 H2O C1466 17.942 28.608 6.220 0.00 0.00 -ATOM 4398 H2 H2O C1466 19.282 29.531 6.082 0.00 0.00 -ATOM 4399 O1 H2O C1467 8.938 27.853 30.649 0.00 0.00 -ATOM 4400 H1 H2O C1467 9.605 28.460 31.081 0.00 0.00 -ATOM 4401 H2 H2O C1467 9.412 27.222 30.034 0.00 0.00 -ATOM 4402 O1 H2O C1468 46.041 9.286 26.862 0.00 0.00 -ATOM 4403 H1 H2O C1468 46.315 10.247 26.809 0.00 0.00 -ATOM 4404 H2 H2O C1468 45.807 9.060 27.808 0.00 0.00 -ATOM 4405 O1 H2O C1469 49.886 42.748 4.867 0.00 0.00 -ATOM 4406 H1 H2O C1469 49.629 42.260 5.702 0.00 0.00 -ATOM 4407 H2 H2O C1469 49.120 43.314 4.563 0.00 0.00 -ATOM 4408 O1 H2O C1470 22.105 55.013 56.738 0.00 0.00 -ATOM 4409 H1 H2O C1470 22.251 55.429 57.637 0.00 0.00 -ATOM 4410 H2 H2O C1470 22.766 55.387 56.088 0.00 0.00 -ATOM 4411 O1 H2O C1471 48.571 15.360 46.872 0.00 0.00 -ATOM 4412 H1 H2O C1471 48.039 15.177 46.045 0.00 0.00 -ATOM 4413 H2 H2O C1471 48.490 16.327 47.114 0.00 0.00 -ATOM 4414 O1 H2O C1472 11.953 0.922 54.496 0.00 0.00 -ATOM 4415 H1 H2O C1472 12.930 1.013 54.307 0.00 0.00 -ATOM 4416 H2 H2O C1472 11.578 0.166 53.959 0.00 0.00 -ATOM 4417 O1 H2O C1473 33.316 50.595 8.917 0.00 0.00 -ATOM 4418 H1 H2O C1473 34.221 50.581 8.491 0.00 0.00 -ATOM 4419 H2 H2O C1473 32.946 51.523 8.885 0.00 0.00 -ATOM 4420 O1 H2O C1474 56.713 54.045 47.410 0.00 0.00 -ATOM 4421 H1 H2O C1474 57.132 54.038 46.502 0.00 0.00 -ATOM 4422 H2 H2O C1474 56.408 54.972 47.629 0.00 0.00 -ATOM 4423 O1 H2O C1475 24.733 15.473 43.472 0.00 0.00 -ATOM 4424 H1 H2O C1475 23.944 14.859 43.427 0.00 0.00 -ATOM 4425 H2 H2O C1475 25.556 14.978 43.195 0.00 0.00 -ATOM 4426 O1 H2O C1476 5.911 1.391 38.655 0.00 0.00 -ATOM 4427 H1 H2O C1476 5.217 1.977 39.072 0.00 0.00 -ATOM 4428 H2 H2O C1476 5.742 1.321 37.672 0.00 0.00 -ATOM 4429 O1 H2O C1477 54.284 55.477 59.746 0.00 0.00 -ATOM 4430 H1 H2O C1477 54.081 54.843 59.000 0.00 0.00 -ATOM 4431 H2 H2O C1477 53.586 56.192 59.775 0.00 0.00 -ATOM 4432 O1 H2O C1478 19.407 38.854 8.951 0.00 0.00 -ATOM 4433 H1 H2O C1478 18.783 38.073 8.989 0.00 0.00 -ATOM 4434 H2 H2O C1478 20.064 38.791 9.702 0.00 0.00 -ATOM 4435 O1 H2O C1479 13.477 35.210 2.664 0.00 0.00 -ATOM 4436 H1 H2O C1479 13.389 34.259 2.368 0.00 0.00 -ATOM 4437 H2 H2O C1479 14.277 35.622 2.229 0.00 0.00 -ATOM 4438 O1 H2O C1480 42.525 6.659 5.921 0.00 0.00 -ATOM 4439 H1 H2O C1480 42.622 5.732 6.284 0.00 0.00 -ATOM 4440 H2 H2O C1480 43.430 7.067 5.802 0.00 0.00 -ATOM 4441 O1 H2O C1481 33.928 57.629 16.930 0.00 0.00 -ATOM 4442 H1 H2O C1481 33.362 58.347 17.335 0.00 0.00 -ATOM 4443 H2 H2O C1481 34.209 56.985 17.641 0.00 0.00 -ATOM 4444 O1 H2O C1482 22.806 54.702 42.385 0.00 0.00 -ATOM 4445 H1 H2O C1482 22.407 55.082 43.220 0.00 0.00 -ATOM 4446 H2 H2O C1482 23.448 53.973 42.625 0.00 0.00 -ATOM 4447 O1 H2O C1483 1.788 0.406 36.165 0.00 0.00 -ATOM 4448 H1 H2O C1483 1.651 0.154 35.207 0.00 0.00 -ATOM 4449 H2 H2O C1483 2.762 0.555 36.336 0.00 0.00 -ATOM 4450 O1 H2O C1484 30.894 42.567 31.285 0.00 0.00 -ATOM 4451 H1 H2O C1484 31.168 43.528 31.249 0.00 0.00 -ATOM 4452 H2 H2O C1484 31.688 42.002 31.510 0.00 0.00 -ATOM 4453 O1 H2O C1485 56.754 22.587 28.628 0.00 0.00 -ATOM 4454 H1 H2O C1485 56.948 23.307 29.294 0.00 0.00 -ATOM 4455 H2 H2O C1485 55.996 22.024 28.957 0.00 0.00 -ATOM 4456 O1 H2O C1486 52.124 17.807 9.990 0.00 0.00 -ATOM 4457 H1 H2O C1486 51.451 17.677 9.262 0.00 0.00 -ATOM 4458 H2 H2O C1486 52.674 16.977 10.088 0.00 0.00 -ATOM 4459 O1 H2O C1487 13.992 3.925 4.103 0.00 0.00 -ATOM 4460 H1 H2O C1487 13.127 3.847 4.599 0.00 0.00 -ATOM 4461 H2 H2O C1487 14.695 4.289 4.713 0.00 0.00 -ATOM 4462 O1 H2O C1488 51.305 12.040 5.536 0.00 0.00 -ATOM 4463 H1 H2O C1488 52.035 11.617 4.999 0.00 0.00 -ATOM 4464 H2 H2O C1488 50.936 11.372 6.181 0.00 0.00 -ATOM 4465 O1 H2O C1489 54.992 6.641 52.436 0.00 0.00 -ATOM 4466 H1 H2O C1489 54.189 6.457 51.868 0.00 0.00 -ATOM 4467 H2 H2O C1489 55.149 5.869 53.051 0.00 0.00 -ATOM 4468 O1 H2O C1490 35.872 28.556 4.567 0.00 0.00 -ATOM 4469 H1 H2O C1490 35.612 27.623 4.816 0.00 0.00 -ATOM 4470 H2 H2O C1490 35.134 28.978 4.040 0.00 0.00 -ATOM 4471 O1 H2O C1491 50.348 11.051 3.554 0.00 0.00 -ATOM 4472 H1 H2O C1491 50.250 11.179 4.541 0.00 0.00 -ATOM 4473 H2 H2O C1491 50.015 10.142 3.302 0.00 0.00 -ATOM 4474 O1 H2O C1492 41.624 35.145 2.071 0.00 0.00 -ATOM 4475 H1 H2O C1492 41.557 35.574 1.170 0.00 0.00 -ATOM 4476 H2 H2O C1492 40.766 34.676 2.281 0.00 0.00 -ATOM 4477 O1 H2O C1493 22.348 16.426 32.393 0.00 0.00 -ATOM 4478 H1 H2O C1493 21.983 17.349 32.270 0.00 0.00 -ATOM 4479 H2 H2O C1493 21.607 15.805 32.648 0.00 0.00 -ATOM 4480 O1 H2O C1494 4.582 47.384 7.265 0.00 0.00 -ATOM 4481 H1 H2O C1494 4.808 46.438 7.030 0.00 0.00 -ATOM 4482 H2 H2O C1494 5.421 47.878 7.496 0.00 0.00 -ATOM 4483 O1 H2O C1495 31.647 42.752 28.760 0.00 0.00 -ATOM 4484 H1 H2O C1495 31.415 41.810 28.518 0.00 0.00 -ATOM 4485 H2 H2O C1495 32.594 42.940 28.501 0.00 0.00 -ATOM 4486 O1 H2O C1496 40.804 41.008 43.904 0.00 0.00 -ATOM 4487 H1 H2O C1496 40.001 40.806 43.343 0.00 0.00 -ATOM 4488 H2 H2O C1496 41.610 41.083 43.317 0.00 0.00 -ATOM 4489 O1 H2O C1497 50.164 35.850 2.424 0.00 0.00 -ATOM 4490 H1 H2O C1497 50.108 36.483 3.196 0.00 0.00 -ATOM 4491 H2 H2O C1497 50.523 34.971 2.739 0.00 0.00 -ATOM 4492 O1 H2O C1498 23.759 25.661 34.965 0.00 0.00 -ATOM 4493 H1 H2O C1498 24.705 25.961 34.843 0.00 0.00 -ATOM 4494 H2 H2O C1498 23.500 25.060 34.209 0.00 0.00 -ATOM 4495 O1 H2O C1499 57.522 23.460 28.829 0.00 0.00 -ATOM 4496 H1 H2O C1499 56.850 24.199 28.764 0.00 0.00 -ATOM 4497 H2 H2O C1499 58.002 23.369 27.956 0.00 0.00 -ATOM 4498 O1 H2O C1500 22.572 27.821 41.246 0.00 0.00 -ATOM 4499 H1 H2O C1500 22.890 28.757 41.098 0.00 0.00 -ATOM 4500 H2 H2O C1500 22.847 27.515 42.158 0.00 0.00 -ATOM 4501 O1 H2O C1501 49.962 9.170 46.283 0.00 0.00 -ATOM 4502 H1 H2O C1501 50.474 8.534 45.706 0.00 0.00 -ATOM 4503 H2 H2O C1501 50.431 9.276 47.160 0.00 0.00 -ATOM 4504 O1 H2O C1502 24.445 46.555 31.155 0.00 0.00 -ATOM 4505 H1 H2O C1502 23.885 47.268 31.575 0.00 0.00 -ATOM 4506 H2 H2O C1502 24.421 45.733 31.725 0.00 0.00 -ATOM 4507 O1 H2O C1503 45.537 30.124 56.312 0.00 0.00 -ATOM 4508 H1 H2O C1503 45.481 29.733 57.231 0.00 0.00 -ATOM 4509 H2 H2O C1503 45.622 31.118 56.377 0.00 0.00 -ATOM 4510 O1 H2O C1504 56.934 34.496 37.838 0.00 0.00 -ATOM 4511 H1 H2O C1504 56.659 35.367 37.432 0.00 0.00 -ATOM 4512 H2 H2O C1504 57.929 34.469 37.927 0.00 0.00 -ATOM 4513 O1 H2O C1505 52.398 30.828 14.368 0.00 0.00 -ATOM 4514 H1 H2O C1505 52.952 30.234 14.951 0.00 0.00 -ATOM 4515 H2 H2O C1505 52.780 31.752 14.374 0.00 0.00 -ATOM 4516 O1 H2O C1506 57.968 28.855 13.904 0.00 0.00 -ATOM 4517 H1 H2O C1506 58.803 28.617 14.400 0.00 0.00 -ATOM 4518 H2 H2O C1506 57.766 28.145 13.230 0.00 0.00 -ATOM 4519 O1 H2O C1507 49.060 34.293 16.034 0.00 0.00 -ATOM 4520 H1 H2O C1507 49.793 33.953 15.444 0.00 0.00 -ATOM 4521 H2 H2O C1507 49.447 34.890 16.737 0.00 0.00 -ATOM 4522 O1 H2O C1508 47.625 40.940 0.759 0.00 0.00 -ATOM 4523 H1 H2O C1508 47.580 40.565 1.685 0.00 0.00 -ATOM 4524 H2 H2O C1508 47.043 41.751 0.699 0.00 0.00 -ATOM 4525 O1 H2O C1509 20.973 15.376 18.426 0.00 0.00 -ATOM 4526 H1 H2O C1509 21.812 15.019 18.836 0.00 0.00 -ATOM 4527 H2 H2O C1509 21.203 16.082 17.757 0.00 0.00 -ATOM 4528 O1 H2O C1510 51.253 14.518 38.143 0.00 0.00 -ATOM 4529 H1 H2O C1510 52.101 14.991 38.383 0.00 0.00 -ATOM 4530 H2 H2O C1510 50.478 15.137 38.276 0.00 0.00 -ATOM 4531 O1 H2O C1511 0.759 18.597 13.032 0.00 0.00 -ATOM 4532 H1 H2O C1511 0.896 18.753 14.010 0.00 0.00 -ATOM 4533 H2 H2O C1511 0.020 19.184 12.701 0.00 0.00 -ATOM 4534 O1 H2O C1512 1.552 37.366 52.170 0.00 0.00 -ATOM 4535 H1 H2O C1512 1.959 37.712 51.324 0.00 0.00 -ATOM 4536 H2 H2O C1512 0.593 37.135 52.008 0.00 0.00 -ATOM 4537 O1 H2O C1513 14.757 48.308 14.568 0.00 0.00 -ATOM 4538 H1 H2O C1513 14.420 49.229 14.375 0.00 0.00 -ATOM 4539 H2 H2O C1513 14.680 47.746 13.744 0.00 0.00 -ATOM 4540 O1 H2O C1514 48.924 4.075 59.698 0.00 0.00 -ATOM 4541 H1 H2O C1514 48.275 4.538 60.302 0.00 0.00 -ATOM 4542 H2 H2O C1514 48.818 4.423 58.766 0.00 0.00 -ATOM 4543 O1 H2O C1515 7.737 40.614 54.966 0.00 0.00 -ATOM 4544 H1 H2O C1515 7.935 40.385 54.013 0.00 0.00 -ATOM 4545 H2 H2O C1515 7.230 41.475 55.004 0.00 0.00 -ATOM 4546 O1 H2O C1516 34.327 48.308 5.440 0.00 0.00 -ATOM 4547 H1 H2O C1516 35.026 48.183 6.144 0.00 0.00 -ATOM 4548 H2 H2O C1516 34.293 47.496 4.856 0.00 0.00 -ATOM 4549 O1 H2O C1517 17.823 20.905 3.572 0.00 0.00 -ATOM 4550 H1 H2O C1517 18.555 20.440 3.074 0.00 0.00 -ATOM 4551 H2 H2O C1517 16.957 20.777 3.089 0.00 0.00 -ATOM 4552 O1 H2O C1518 21.642 38.449 39.004 0.00 0.00 -ATOM 4553 H1 H2O C1518 22.473 38.996 38.904 0.00 0.00 -ATOM 4554 H2 H2O C1518 21.845 37.631 39.542 0.00 0.00 -ATOM 4555 O1 H2O C1519 48.619 35.883 32.862 0.00 0.00 -ATOM 4556 H1 H2O C1519 48.702 36.660 33.486 0.00 0.00 -ATOM 4557 H2 H2O C1519 49.097 36.089 32.008 0.00 0.00 -ATOM 4558 O1 H2O C1520 33.617 14.453 17.993 0.00 0.00 -ATOM 4559 H1 H2O C1520 34.517 14.027 17.904 0.00 0.00 -ATOM 4560 H2 H2O C1520 33.012 13.849 18.512 0.00 0.00 -ATOM 4561 O1 H2O C1521 44.927 45.610 21.091 0.00 0.00 -ATOM 4562 H1 H2O C1521 44.512 44.900 20.522 0.00 0.00 -ATOM 4563 H2 H2O C1521 45.921 45.587 20.980 0.00 0.00 -ATOM 4564 O1 H2O C1522 9.128 8.610 49.037 0.00 0.00 -ATOM 4565 H1 H2O C1522 8.788 9.170 49.793 0.00 0.00 -ATOM 4566 H2 H2O C1522 9.073 9.131 48.186 0.00 0.00 -ATOM 4567 O1 H2O C1523 48.636 19.777 25.862 0.00 0.00 -ATOM 4568 H1 H2O C1523 48.128 20.575 25.538 0.00 0.00 -ATOM 4569 H2 H2O C1523 47.994 19.060 26.132 0.00 0.00 -ATOM 4570 O1 H2O C1524 32.312 22.134 56.970 0.00 0.00 -ATOM 4571 H1 H2O C1524 32.078 22.969 56.471 0.00 0.00 -ATOM 4572 H2 H2O C1524 32.345 22.329 57.950 0.00 0.00 -ATOM 4573 O1 H2O C1525 17.771 11.354 52.544 0.00 0.00 -ATOM 4574 H1 H2O C1525 18.737 11.593 52.447 0.00 0.00 -ATOM 4575 H2 H2O C1525 17.685 10.542 53.121 0.00 0.00 -ATOM 4576 O1 H2O C1526 53.343 38.872 44.585 0.00 0.00 -ATOM 4577 H1 H2O C1526 52.713 38.099 44.509 0.00 0.00 -ATOM 4578 H2 H2O C1526 53.941 38.894 43.783 0.00 0.00 -ATOM 4579 O1 H2O C1527 6.078 13.485 48.877 0.00 0.00 -ATOM 4580 H1 H2O C1527 6.576 13.485 49.744 0.00 0.00 -ATOM 4581 H2 H2O C1527 6.264 12.633 48.387 0.00 0.00 -ATOM 4582 O1 H2O C1528 8.832 52.713 25.176 0.00 0.00 -ATOM 4583 H1 H2O C1528 9.415 52.184 25.792 0.00 0.00 -ATOM 4584 H2 H2O C1528 9.044 52.472 24.228 0.00 0.00 -ATOM 4585 O1 H2O C1529 41.658 10.149 55.899 0.00 0.00 -ATOM 4586 H1 H2O C1529 42.423 10.551 55.395 0.00 0.00 -ATOM 4587 H2 H2O C1529 40.823 10.663 55.703 0.00 0.00 -ATOM 4588 O1 H2O C1530 14.972 43.634 20.040 0.00 0.00 -ATOM 4589 H1 H2O C1530 14.164 43.140 19.720 0.00 0.00 -ATOM 4590 H2 H2O C1530 15.338 44.192 19.295 0.00 0.00 -ATOM 4591 O1 H2O C1531 48.193 29.066 19.342 0.00 0.00 -ATOM 4592 H1 H2O C1531 47.914 30.027 19.324 0.00 0.00 -ATOM 4593 H2 H2O C1531 47.509 28.512 18.867 0.00 0.00 -ATOM 4594 O1 H2O C1532 59.732 21.342 14.945 0.00 0.00 -ATOM 4595 H1 H2O C1532 59.362 21.522 15.857 0.00 0.00 -ATOM 4596 H2 H2O C1532 60.467 20.667 15.010 0.00 0.00 -ATOM 4597 O1 H2O C1533 57.591 54.415 43.827 0.00 0.00 -ATOM 4598 H1 H2O C1533 58.458 54.516 43.338 0.00 0.00 -ATOM 4599 H2 H2O C1533 57.553 55.076 44.577 0.00 0.00 -ATOM 4600 O1 H2O C1534 13.278 4.465 56.728 0.00 0.00 -ATOM 4601 H1 H2O C1534 13.756 5.189 56.231 0.00 0.00 -ATOM 4602 H2 H2O C1534 13.889 3.682 56.846 0.00 0.00 -ATOM 4603 O1 H2O C1535 57.950 21.021 15.492 0.00 0.00 -ATOM 4604 H1 H2O C1535 57.619 20.126 15.194 0.00 0.00 -ATOM 4605 H2 H2O C1535 57.889 21.084 16.488 0.00 0.00 -ATOM 4606 O1 H2O C1536 50.129 59.647 20.205 0.00 0.00 -ATOM 4607 H1 H2O C1536 51.058 59.340 20.411 0.00 0.00 -ATOM 4608 H2 H2O C1536 49.754 59.095 19.460 0.00 0.00 -ATOM 4609 O1 H2O C1537 9.649 20.039 6.998 0.00 0.00 -ATOM 4610 H1 H2O C1537 9.181 20.589 6.307 0.00 0.00 -ATOM 4611 H2 H2O C1537 9.163 19.174 7.122 0.00 0.00 -ATOM 4612 O1 H2O C1538 57.096 16.165 29.770 0.00 0.00 -ATOM 4613 H1 H2O C1538 57.326 17.137 29.715 0.00 0.00 -ATOM 4614 H2 H2O C1538 57.897 15.619 29.523 0.00 0.00 -ATOM 4615 O1 H2O C1539 19.194 34.028 43.997 0.00 0.00 -ATOM 4616 H1 H2O C1539 19.325 34.631 43.210 0.00 0.00 -ATOM 4617 H2 H2O C1539 19.827 34.290 44.726 0.00 0.00 -ATOM 4618 O1 H2O C1540 15.825 38.996 19.952 0.00 0.00 -ATOM 4619 H1 H2O C1540 15.087 38.731 19.331 0.00 0.00 -ATOM 4620 H2 H2O C1540 15.564 38.776 20.892 0.00 0.00 -ATOM 4621 O1 H2O C1541 44.429 36.545 7.993 0.00 0.00 -ATOM 4622 H1 H2O C1541 43.504 36.666 8.353 0.00 0.00 -ATOM 4623 H2 H2O C1541 45.065 36.403 8.751 0.00 0.00 -ATOM 4624 O1 H2O C1542 28.378 11.038 39.379 0.00 0.00 -ATOM 4625 H1 H2O C1542 28.133 11.909 38.954 0.00 0.00 -ATOM 4626 H2 H2O C1542 29.128 10.617 38.869 0.00 0.00 -ATOM 4627 O1 H2O C1543 23.167 9.379 43.415 0.00 0.00 -ATOM 4628 H1 H2O C1543 23.985 9.879 43.701 0.00 0.00 -ATOM 4629 H2 H2O C1543 22.419 10.025 43.261 0.00 0.00 -ATOM 4630 O1 H2O C1544 22.526 6.514 12.452 0.00 0.00 -ATOM 4631 H1 H2O C1544 22.692 5.545 12.272 0.00 0.00 -ATOM 4632 H2 H2O C1544 23.353 6.929 12.832 0.00 0.00 -ATOM 4633 O1 H2O C1545 1.227 36.576 14.466 0.00 0.00 -ATOM 4634 H1 H2O C1545 0.322 36.767 14.086 0.00 0.00 -ATOM 4635 H2 H2O C1545 1.633 37.425 14.804 0.00 0.00 -ATOM 4636 O1 H2O C1546 52.336 55.176 2.345 0.00 0.00 -ATOM 4637 H1 H2O C1546 53.026 55.883 2.188 0.00 0.00 -ATOM 4638 H2 H2O C1546 51.683 55.495 3.032 0.00 0.00 -ATOM 4639 O1 H2O C1547 5.440 21.114 24.027 0.00 0.00 -ATOM 4640 H1 H2O C1547 6.025 21.925 24.029 0.00 0.00 -ATOM 4641 H2 H2O C1547 4.499 21.382 24.236 0.00 0.00 -ATOM 4642 O1 H2O C1548 8.302 19.502 4.778 0.00 0.00 -ATOM 4643 H1 H2O C1548 7.360 19.661 5.075 0.00 0.00 -ATOM 4644 H2 H2O C1548 8.934 19.880 5.455 0.00 0.00 -ATOM 4645 O1 H2O C1549 31.686 13.754 22.015 0.00 0.00 -ATOM 4646 H1 H2O C1549 32.489 14.286 21.747 0.00 0.00 -ATOM 4647 H2 H2O C1549 31.815 13.400 22.942 0.00 0.00 -ATOM 4648 O1 H2O C1550 23.430 2.633 22.691 0.00 0.00 -ATOM 4649 H1 H2O C1550 23.805 3.353 22.107 0.00 0.00 -ATOM 4650 H2 H2O C1550 23.007 1.929 22.121 0.00 0.00 -ATOM 4651 O1 H2O C1551 25.535 44.708 53.735 0.00 0.00 -ATOM 4652 H1 H2O C1551 25.257 45.487 54.298 0.00 0.00 -ATOM 4653 H2 H2O C1551 25.760 43.934 54.327 0.00 0.00 -ATOM 4654 O1 H2O C1552 22.252 13.637 39.026 0.00 0.00 -ATOM 4655 H1 H2O C1552 21.762 14.228 39.666 0.00 0.00 -ATOM 4656 H2 H2O C1552 21.594 13.113 38.485 0.00 0.00 -ATOM 4657 O1 H2O C1553 25.235 54.566 37.743 0.00 0.00 -ATOM 4658 H1 H2O C1553 26.220 54.691 37.620 0.00 0.00 -ATOM 4659 H2 H2O C1553 24.824 54.288 36.874 0.00 0.00 -ATOM 4660 O1 H2O C1554 55.122 5.500 36.546 0.00 0.00 -ATOM 4661 H1 H2O C1554 55.719 5.148 37.267 0.00 0.00 -ATOM 4662 H2 H2O C1554 55.268 6.485 36.445 0.00 0.00 -ATOM 4663 O1 H2O C1555 16.545 19.211 48.708 0.00 0.00 -ATOM 4664 H1 H2O C1555 16.712 18.345 49.179 0.00 0.00 -ATOM 4665 H2 H2O C1555 17.000 19.200 47.818 0.00 0.00 -ATOM 4666 O1 H2O C1556 24.808 53.656 19.806 0.00 0.00 -ATOM 4667 H1 H2O C1556 23.854 53.954 19.845 0.00 0.00 -ATOM 4668 H2 H2O C1556 24.994 53.030 20.564 0.00 0.00 -ATOM 4669 O1 H2O C1557 28.610 51.393 44.013 0.00 0.00 -ATOM 4670 H1 H2O C1557 27.997 51.841 43.362 0.00 0.00 -ATOM 4671 H2 H2O C1557 28.293 51.569 44.945 0.00 0.00 -ATOM 4672 O1 H2O C1558 36.784 21.820 56.869 0.00 0.00 -ATOM 4673 H1 H2O C1558 36.255 21.013 56.607 0.00 0.00 -ATOM 4674 H2 H2O C1558 36.625 22.023 57.836 0.00 0.00 -ATOM 4675 O1 H2O C1559 0.849 43.793 57.701 0.00 0.00 -ATOM 4676 H1 H2O C1559 -0.124 43.666 57.511 0.00 0.00 -ATOM 4677 H2 H2O C1559 1.379 43.597 56.876 0.00 0.00 -ATOM 4678 O1 H2O C1560 54.149 3.739 26.557 0.00 0.00 -ATOM 4679 H1 H2O C1560 54.522 2.919 26.991 0.00 0.00 -ATOM 4680 H2 H2O C1560 54.318 4.532 27.142 0.00 0.00 -ATOM 4681 O1 H2O C1561 0.220 22.498 57.508 0.00 0.00 -ATOM 4682 H1 H2O C1561 1.080 22.447 57.001 0.00 0.00 -ATOM 4683 H2 H2O C1561 -0.360 21.722 57.260 0.00 0.00 -ATOM 4684 O1 H2O C1562 58.152 35.402 22.788 0.00 0.00 -ATOM 4685 H1 H2O C1562 58.905 35.860 23.259 0.00 0.00 -ATOM 4686 H2 H2O C1562 57.662 34.816 23.434 0.00 0.00 -ATOM 4687 O1 H2O C1563 9.251 16.025 11.176 0.00 0.00 -ATOM 4688 H1 H2O C1563 8.888 15.104 11.318 0.00 0.00 -ATOM 4689 H2 H2O C1563 9.941 16.003 10.453 0.00 0.00 -ATOM 4690 O1 H2O C1564 4.063 13.546 42.070 0.00 0.00 -ATOM 4691 H1 H2O C1564 5.023 13.272 42.019 0.00 0.00 -ATOM 4692 H2 H2O C1564 4.003 14.544 42.104 0.00 0.00 -ATOM 4693 O1 H2O C1565 42.158 8.291 9.276 0.00 0.00 -ATOM 4694 H1 H2O C1565 42.312 7.413 9.730 0.00 0.00 -ATOM 4695 H2 H2O C1565 41.176 8.438 9.160 0.00 0.00 -ATOM 4696 O1 H2O C1566 40.241 11.771 28.842 0.00 0.00 -ATOM 4697 H1 H2O C1566 40.881 11.402 29.516 0.00 0.00 -ATOM 4698 H2 H2O C1566 39.960 11.044 28.216 0.00 0.00 -ATOM 4699 O1 H2O C1567 38.313 13.322 44.978 0.00 0.00 -ATOM 4700 H1 H2O C1567 38.626 14.219 45.288 0.00 0.00 -ATOM 4701 H2 H2O C1567 38.989 12.628 45.228 0.00 0.00 -ATOM 4702 O1 H2O C1568 20.234 48.122 11.864 0.00 0.00 -ATOM 4703 H1 H2O C1568 20.186 48.825 11.154 0.00 0.00 -ATOM 4704 H2 H2O C1568 19.413 48.165 12.432 0.00 0.00 -ATOM 4705 O1 H2O C1569 28.424 29.308 16.774 0.00 0.00 -ATOM 4706 H1 H2O C1569 28.569 30.212 17.175 0.00 0.00 -ATOM 4707 H2 H2O C1569 28.142 28.668 17.489 0.00 0.00 -ATOM 4708 O1 H2O C1570 35.825 44.578 38.574 0.00 0.00 -ATOM 4709 H1 H2O C1570 34.959 44.545 38.075 0.00 0.00 -ATOM 4710 H2 H2O C1570 35.649 44.479 39.553 0.00 0.00 -ATOM 4711 O1 H2O C1571 44.008 34.738 5.024 0.00 0.00 -ATOM 4712 H1 H2O C1571 43.316 35.194 4.464 0.00 0.00 -ATOM 4713 H2 H2O C1571 44.862 34.671 4.509 0.00 0.00 -ATOM 4714 O1 H2O C1572 35.042 10.211 16.024 0.00 0.00 -ATOM 4715 H1 H2O C1572 34.208 10.308 15.479 0.00 0.00 -ATOM 4716 H2 H2O C1572 35.531 9.387 15.739 0.00 0.00 -ATOM 4717 O1 H2O C1573 31.933 45.955 5.437 0.00 0.00 -ATOM 4718 H1 H2O C1573 31.430 45.096 5.337 0.00 0.00 -ATOM 4719 H2 H2O C1573 32.829 45.870 4.999 0.00 0.00 -ATOM 4720 O1 H2O C1574 15.742 22.187 41.841 0.00 0.00 -ATOM 4721 H1 H2O C1574 15.619 21.848 42.774 0.00 0.00 -ATOM 4722 H2 H2O C1574 14.854 22.440 41.458 0.00 0.00 -ATOM 4723 O1 H2O C1575 30.442 29.317 10.345 0.00 0.00 -ATOM 4724 H1 H2O C1575 29.450 29.430 10.299 0.00 0.00 -ATOM 4725 H2 H2O C1575 30.658 28.392 10.660 0.00 0.00 -ATOM 4726 O1 H2O C1576 8.481 42.171 0.854 0.00 0.00 -ATOM 4727 H1 H2O C1576 8.299 43.145 0.723 0.00 0.00 -ATOM 4728 H2 H2O C1576 9.205 41.880 0.228 0.00 0.00 -ATOM 4729 O1 H2O C1577 39.970 34.829 24.890 0.00 0.00 -ATOM 4730 H1 H2O C1577 40.770 34.230 24.923 0.00 0.00 -ATOM 4731 H2 H2O C1577 39.415 34.689 25.710 0.00 0.00 -ATOM 4732 O1 H2O C1578 26.931 46.921 37.211 0.00 0.00 -ATOM 4733 H1 H2O C1578 27.286 47.637 37.813 0.00 0.00 -ATOM 4734 H2 H2O C1578 26.084 47.236 36.783 0.00 0.00 -ATOM 4735 O1 H2O C1579 9.408 60.096 2.363 0.00 0.00 -ATOM 4736 H1 H2O C1579 9.426 60.159 1.365 0.00 0.00 -ATOM 4737 H2 H2O C1579 9.491 59.138 2.638 0.00 0.00 -ATOM 4738 O1 H2O C1580 37.157 25.506 37.419 0.00 0.00 -ATOM 4739 H1 H2O C1580 36.678 25.952 38.176 0.00 0.00 -ATOM 4740 H2 H2O C1580 36.688 24.654 37.185 0.00 0.00 -ATOM 4741 O1 H2O C1581 13.258 42.858 17.477 0.00 0.00 -ATOM 4742 H1 H2O C1581 13.444 41.956 17.090 0.00 0.00 -ATOM 4743 H2 H2O C1581 14.114 43.270 17.791 0.00 0.00 -ATOM 4744 O1 H2O C1582 37.359 56.221 30.526 0.00 0.00 -ATOM 4745 H1 H2O C1582 37.052 55.343 30.158 0.00 0.00 -ATOM 4746 H2 H2O C1582 37.165 56.946 29.865 0.00 0.00 -ATOM 4747 O1 H2O C1583 55.331 2.577 41.288 0.00 0.00 -ATOM 4748 H1 H2O C1583 55.569 2.646 42.257 0.00 0.00 -ATOM 4749 H2 H2O C1583 56.012 3.065 40.742 0.00 0.00 -ATOM 4750 O1 H2O C1584 40.297 54.123 24.645 0.00 0.00 -ATOM 4751 H1 H2O C1584 40.040 54.251 25.603 0.00 0.00 -ATOM 4752 H2 H2O C1584 40.897 54.871 24.358 0.00 0.00 -ATOM 4753 O1 H2O C1585 27.944 12.941 57.184 0.00 0.00 -ATOM 4754 H1 H2O C1585 28.069 13.933 57.151 0.00 0.00 -ATOM 4755 H2 H2O C1585 28.333 12.529 56.360 0.00 0.00 -ATOM 4756 O1 H2O C1586 23.282 39.905 54.344 0.00 0.00 -ATOM 4757 H1 H2O C1586 23.655 39.616 53.462 0.00 0.00 -ATOM 4758 H2 H2O C1586 23.616 39.294 55.062 0.00 0.00 -ATOM 4759 O1 H2O C1587 5.755 16.565 32.819 0.00 0.00 -ATOM 4760 H1 H2O C1587 4.797 16.822 32.689 0.00 0.00 -ATOM 4761 H2 H2O C1587 6.154 17.125 33.545 0.00 0.00 -ATOM 4762 O1 H2O C1588 25.554 15.474 53.052 0.00 0.00 -ATOM 4763 H1 H2O C1588 26.514 15.712 53.196 0.00 0.00 -ATOM 4764 H2 H2O C1588 25.491 14.713 52.406 0.00 0.00 -ATOM 4765 O1 H2O C1589 20.365 58.090 13.852 0.00 0.00 -ATOM 4766 H1 H2O C1589 21.255 57.639 13.915 0.00 0.00 -ATOM 4767 H2 H2O C1589 19.927 58.091 14.751 0.00 0.00 -ATOM 4768 O1 H2O C1590 17.830 40.809 32.499 0.00 0.00 -ATOM 4769 H1 H2O C1590 17.852 41.808 32.469 0.00 0.00 -ATOM 4770 H2 H2O C1590 18.686 40.446 32.131 0.00 0.00 -ATOM 4771 O1 H2O C1591 20.293 44.810 26.670 0.00 0.00 -ATOM 4772 H1 H2O C1591 20.094 45.493 27.372 0.00 0.00 -ATOM 4773 H2 H2O C1591 21.264 44.574 26.700 0.00 0.00 -ATOM 4774 O1 H2O C1592 19.800 15.127 50.043 0.00 0.00 -ATOM 4775 H1 H2O C1592 19.136 15.826 49.778 0.00 0.00 -ATOM 4776 H2 H2O C1592 19.768 14.994 51.033 0.00 0.00 -ATOM 4777 O1 H2O C1593 19.032 44.188 46.784 0.00 0.00 -ATOM 4778 H1 H2O C1593 19.689 43.525 46.423 0.00 0.00 -ATOM 4779 H2 H2O C1593 19.447 44.686 47.545 0.00 0.00 -ATOM 4780 O1 H2O C1594 24.402 1.357 10.715 0.00 0.00 -ATOM 4781 H1 H2O C1594 24.109 1.736 9.837 0.00 0.00 -ATOM 4782 H2 H2O C1594 23.975 1.870 11.459 0.00 0.00 -ATOM 4783 O1 H2O C1595 26.639 40.859 39.964 0.00 0.00 -ATOM 4784 H1 H2O C1595 26.363 40.937 39.006 0.00 0.00 -ATOM 4785 H2 H2O C1595 26.477 39.926 40.283 0.00 0.00 -ATOM 4786 O1 H2O C1596 21.150 39.153 53.476 0.00 0.00 -ATOM 4787 H1 H2O C1596 21.387 38.306 53.950 0.00 0.00 -ATOM 4788 H2 H2O C1596 20.739 39.794 54.123 0.00 0.00 -ATOM 4789 O1 H2O C1597 13.178 19.839 56.635 0.00 0.00 -ATOM 4790 H1 H2O C1597 13.587 19.451 55.809 0.00 0.00 -ATOM 4791 H2 H2O C1597 12.916 20.789 56.463 0.00 0.00 -ATOM 4792 O1 H2O C1598 47.972 11.936 55.455 0.00 0.00 -ATOM 4793 H1 H2O C1598 47.638 12.674 56.042 0.00 0.00 -ATOM 4794 H2 H2O C1598 48.898 11.681 55.734 0.00 0.00 -ATOM 4795 O1 H2O C1599 35.210 54.027 53.111 0.00 0.00 -ATOM 4796 H1 H2O C1599 35.661 53.598 53.894 0.00 0.00 -ATOM 4797 H2 H2O C1599 35.900 54.301 52.440 0.00 0.00 -ATOM 4798 O1 H2O C1600 33.163 17.824 25.999 0.00 0.00 -ATOM 4799 H1 H2O C1600 32.217 18.115 25.854 0.00 0.00 -ATOM 4800 H2 H2O C1600 33.213 17.248 26.815 0.00 0.00 -ATOM 4801 O1 H2O C1601 19.378 46.770 12.757 0.00 0.00 -ATOM 4802 H1 H2O C1601 18.593 47.346 12.982 0.00 0.00 -ATOM 4803 H2 H2O C1601 19.738 46.355 13.592 0.00 0.00 -ATOM 4804 O1 H2O C1602 0.349 47.227 2.930 0.00 0.00 -ATOM 4805 H1 H2O C1602 -0.629 47.430 2.879 0.00 0.00 -ATOM 4806 H2 H2O C1602 0.782 47.456 2.058 0.00 0.00 -ATOM 4807 O1 H2O C1603 5.474 32.814 49.094 0.00 0.00 -ATOM 4808 H1 H2O C1603 5.523 32.171 49.858 0.00 0.00 -ATOM 4809 H2 H2O C1603 4.909 32.425 48.366 0.00 0.00 -ATOM 4810 O1 H2O C1604 25.574 13.195 12.938 0.00 0.00 -ATOM 4811 H1 H2O C1604 24.824 13.039 13.581 0.00 0.00 -ATOM 4812 H2 H2O C1604 26.424 13.339 13.446 0.00 0.00 -ATOM 4813 O1 H2O C1605 26.154 43.339 50.669 0.00 0.00 -ATOM 4814 H1 H2O C1605 25.420 42.896 50.154 0.00 0.00 -ATOM 4815 H2 H2O C1605 26.979 42.775 50.625 0.00 0.00 -ATOM 4816 O1 H2O C1606 3.064 51.153 7.148 0.00 0.00 -ATOM 4817 H1 H2O C1606 2.160 50.773 6.954 0.00 0.00 -ATOM 4818 H2 H2O C1606 3.716 50.408 7.290 0.00 0.00 -ATOM 4819 O1 H2O C1607 39.707 33.888 16.773 0.00 0.00 -ATOM 4820 H1 H2O C1607 38.800 34.128 17.120 0.00 0.00 -ATOM 4821 H2 H2O C1607 40.135 33.228 17.390 0.00 0.00 -ATOM 4822 O1 H2O C1608 10.966 21.084 16.265 0.00 0.00 -ATOM 4823 H1 H2O C1608 11.627 20.920 16.998 0.00 0.00 -ATOM 4824 H2 H2O C1608 11.452 21.286 15.416 0.00 0.00 -ATOM 4825 O1 H2O C1609 29.044 35.039 35.914 0.00 0.00 -ATOM 4826 H1 H2O C1609 28.716 34.750 36.813 0.00 0.00 -ATOM 4827 H2 H2O C1609 28.882 36.019 35.798 0.00 0.00 -ATOM 4828 O1 H2O C1610 40.541 55.074 12.625 0.00 0.00 -ATOM 4829 H1 H2O C1610 39.808 55.506 13.150 0.00 0.00 -ATOM 4830 H2 H2O C1610 40.685 54.142 12.958 0.00 0.00 -ATOM 4831 O1 H2O C1611 52.453 0.401 33.423 0.00 0.00 -ATOM 4832 H1 H2O C1611 51.922 1.147 33.022 0.00 0.00 -ATOM 4833 H2 H2O C1611 53.125 0.775 34.063 0.00 0.00 -ATOM 4834 O1 H2O C1612 24.350 54.301 32.655 0.00 0.00 -ATOM 4835 H1 H2O C1612 25.201 53.841 32.912 0.00 0.00 -ATOM 4836 H2 H2O C1612 23.763 53.661 32.158 0.00 0.00 -ATOM 4837 O1 H2O C1613 11.094 59.644 36.700 0.00 0.00 -ATOM 4838 H1 H2O C1613 11.902 59.324 37.195 0.00 0.00 -ATOM 4839 H2 H2O C1613 10.930 60.606 36.917 0.00 0.00 -ATOM 4840 O1 H2O C1614 47.092 1.906 28.969 0.00 0.00 -ATOM 4841 H1 H2O C1614 47.456 1.408 28.182 0.00 0.00 -ATOM 4842 H2 H2O C1614 46.138 2.150 28.797 0.00 0.00 -ATOM 4843 O1 H2O C1615 51.019 25.055 53.090 0.00 0.00 -ATOM 4844 H1 H2O C1615 50.918 24.219 53.630 0.00 0.00 -ATOM 4845 H2 H2O C1615 50.239 25.150 52.473 0.00 0.00 -ATOM 4846 O1 H2O C1616 11.095 3.832 50.891 0.00 0.00 -ATOM 4847 H1 H2O C1616 11.652 4.221 50.157 0.00 0.00 -ATOM 4848 H2 H2O C1616 10.320 4.436 51.077 0.00 0.00 -ATOM 4849 O1 H2O C1617 -0.222 41.967 42.231 0.00 0.00 -ATOM 4850 H1 H2O C1617 0.242 42.777 41.873 0.00 0.00 -ATOM 4851 H2 H2O C1617 0.457 41.312 42.562 0.00 0.00 -ATOM 4852 O1 H2O C1618 20.529 8.743 45.842 0.00 0.00 -ATOM 4853 H1 H2O C1618 20.777 8.319 44.971 0.00 0.00 -ATOM 4854 H2 H2O C1618 21.232 8.539 46.523 0.00 0.00 -ATOM 4855 O1 H2O C1619 5.547 45.880 13.232 0.00 0.00 -ATOM 4856 H1 H2O C1619 4.556 45.762 13.300 0.00 0.00 -ATOM 4857 H2 H2O C1619 5.914 45.232 12.564 0.00 0.00 -ATOM 4858 O1 H2O C1620 25.982 21.305 52.798 0.00 0.00 -ATOM 4859 H1 H2O C1620 26.819 20.828 53.065 0.00 0.00 -ATOM 4860 H2 H2O C1620 26.193 21.975 52.086 0.00 0.00 -ATOM 4861 O1 H2O C1621 4.379 53.166 0.542 0.00 0.00 -ATOM 4862 H1 H2O C1621 3.525 52.659 0.658 0.00 0.00 -ATOM 4863 H2 H2O C1621 4.574 53.686 1.373 0.00 0.00 -ATOM 4864 O1 H2O C1622 11.857 24.298 15.452 0.00 0.00 -ATOM 4865 H1 H2O C1622 11.648 24.234 14.476 0.00 0.00 -ATOM 4866 H2 H2O C1622 11.202 24.911 15.893 0.00 0.00 -ATOM 4867 O1 H2O C1623 15.324 17.085 21.792 0.00 0.00 -ATOM 4868 H1 H2O C1623 14.595 17.531 21.273 0.00 0.00 -ATOM 4869 H2 H2O C1623 15.444 16.149 21.460 0.00 0.00 -ATOM 4870 O1 H2O C1624 6.328 33.557 36.028 0.00 0.00 -ATOM 4871 H1 H2O C1624 6.985 32.811 35.913 0.00 0.00 -ATOM 4872 H2 H2O C1624 6.512 34.034 36.887 0.00 0.00 -ATOM 4873 O1 H2O C1625 7.849 20.636 51.148 0.00 0.00 -ATOM 4874 H1 H2O C1625 6.974 21.033 50.867 0.00 0.00 -ATOM 4875 H2 H2O C1625 7.735 20.167 52.024 0.00 0.00 -ATOM 4876 O1 H2O C1626 31.456 44.945 34.965 0.00 0.00 -ATOM 4877 H1 H2O C1626 30.997 44.973 35.853 0.00 0.00 -ATOM 4878 H2 H2O C1626 31.349 44.036 34.562 0.00 0.00 -ATOM 4879 O1 H2O C1627 52.933 2.316 52.715 0.00 0.00 -ATOM 4880 H1 H2O C1627 52.785 2.522 53.682 0.00 0.00 -ATOM 4881 H2 H2O C1627 53.130 1.341 52.608 0.00 0.00 -ATOM 4882 O1 H2O C1628 57.191 29.515 28.297 0.00 0.00 -ATOM 4883 H1 H2O C1628 57.591 29.927 27.478 0.00 0.00 -ATOM 4884 H2 H2O C1628 57.009 30.229 28.973 0.00 0.00 -ATOM 4885 O1 H2O C1629 15.405 51.464 35.211 0.00 0.00 -ATOM 4886 H1 H2O C1629 14.932 51.158 36.037 0.00 0.00 -ATOM 4887 H2 H2O C1629 14.985 52.310 34.881 0.00 0.00 -ATOM 4888 O1 H2O C1630 30.499 45.187 18.956 0.00 0.00 -ATOM 4889 H1 H2O C1630 29.776 44.506 18.837 0.00 0.00 -ATOM 4890 H2 H2O C1630 31.150 45.117 18.201 0.00 0.00 -ATOM 4891 O1 H2O C1631 40.152 48.582 44.443 0.00 0.00 -ATOM 4892 H1 H2O C1631 40.561 48.893 45.301 0.00 0.00 -ATOM 4893 H2 H2O C1631 40.574 47.718 44.168 0.00 0.00 -ATOM 4894 O1 H2O C1632 29.202 21.879 8.189 0.00 0.00 -ATOM 4895 H1 H2O C1632 28.250 22.185 8.219 0.00 0.00 -ATOM 4896 H2 H2O C1632 29.625 22.188 7.337 0.00 0.00 -ATOM 4897 O1 H2O C1633 52.538 39.804 56.283 0.00 0.00 -ATOM 4898 H1 H2O C1633 51.706 40.099 55.813 0.00 0.00 -ATOM 4899 H2 H2O C1633 52.320 39.055 56.908 0.00 0.00 -ATOM 4900 O1 H2O C1634 41.727 31.280 21.061 0.00 0.00 -ATOM 4901 H1 H2O C1634 42.574 31.151 21.575 0.00 0.00 -ATOM 4902 H2 H2O C1634 41.672 30.598 20.332 0.00 0.00 -ATOM 4903 O1 H2O C1635 35.247 32.131 18.271 0.00 0.00 -ATOM 4904 H1 H2O C1635 34.899 32.594 17.456 0.00 0.00 -ATOM 4905 H2 H2O C1635 34.959 32.632 19.087 0.00 0.00 -ATOM 4906 O1 H2O C1636 35.019 12.964 21.021 0.00 0.00 -ATOM 4907 H1 H2O C1636 35.264 13.381 20.146 0.00 0.00 -ATOM 4908 H2 H2O C1636 35.779 13.063 21.663 0.00 0.00 -ATOM 4909 O1 H2O C1637 9.141 27.933 5.078 0.00 0.00 -ATOM 4910 H1 H2O C1637 9.692 28.251 5.849 0.00 0.00 -ATOM 4911 H2 H2O C1637 9.285 28.536 4.294 0.00 0.00 -ATOM 4912 O1 H2O C1638 40.706 56.240 18.054 0.00 0.00 -ATOM 4913 H1 H2O C1638 40.067 56.981 18.260 0.00 0.00 -ATOM 4914 H2 H2O C1638 40.467 55.434 18.594 0.00 0.00 -ATOM 4915 O1 H2O C1639 51.596 49.381 35.012 0.00 0.00 -ATOM 4916 H1 H2O C1639 51.767 50.215 34.487 0.00 0.00 -ATOM 4917 H2 H2O C1639 50.701 49.444 35.454 0.00 0.00 -ATOM 4918 O1 H2O C1640 29.280 14.393 3.988 0.00 0.00 -ATOM 4919 H1 H2O C1640 28.848 15.263 4.228 0.00 0.00 -ATOM 4920 H2 H2O C1640 28.627 13.825 3.487 0.00 0.00 -ATOM 4921 O1 H2O C1641 57.836 10.011 49.938 0.00 0.00 -ATOM 4922 H1 H2O C1641 57.846 10.925 49.531 0.00 0.00 -ATOM 4923 H2 H2O C1641 58.674 9.872 50.465 0.00 0.00 -ATOM 4924 O1 H2O C1642 30.794 24.548 39.431 0.00 0.00 -ATOM 4925 H1 H2O C1642 30.249 25.155 38.851 0.00 0.00 -ATOM 4926 H2 H2O C1642 30.792 24.896 40.369 0.00 0.00 -ATOM 4927 O1 H2O C1643 11.185 17.454 49.003 0.00 0.00 -ATOM 4928 H1 H2O C1643 11.415 16.786 48.296 0.00 0.00 -ATOM 4929 H2 H2O C1643 10.191 17.556 49.056 0.00 0.00 -ATOM 4930 O1 H2O C1644 55.804 1.362 35.937 0.00 0.00 -ATOM 4931 H1 H2O C1644 55.492 0.923 36.779 0.00 0.00 -ATOM 4932 H2 H2O C1644 55.043 1.856 35.517 0.00 0.00 -ATOM 4933 O1 H2O C1645 26.468 20.480 18.731 0.00 0.00 -ATOM 4934 H1 H2O C1645 26.869 21.193 19.305 0.00 0.00 -ATOM 4935 H2 H2O C1645 27.058 20.317 17.941 0.00 0.00 -ATOM 4936 O1 H2O C1646 44.510 59.898 33.188 0.00 0.00 -ATOM 4937 H1 H2O C1646 44.180 58.986 32.945 0.00 0.00 -ATOM 4938 H2 H2O C1646 43.936 60.278 33.913 0.00 0.00 -ATOM 4939 O1 H2O C1647 13.913 0.599 30.257 0.00 0.00 -ATOM 4940 H1 H2O C1647 14.290 1.480 29.969 0.00 0.00 -ATOM 4941 H2 H2O C1647 13.976 0.518 31.251 0.00 0.00 -ATOM 4942 O1 H2O C1648 47.376 9.064 51.245 0.00 0.00 -ATOM 4943 H1 H2O C1648 47.576 9.122 52.222 0.00 0.00 -ATOM 4944 H2 H2O C1648 47.709 9.888 50.786 0.00 0.00 -ATOM 4945 O1 H2O C1649 18.541 36.914 26.877 0.00 0.00 -ATOM 4946 H1 H2O C1649 18.272 36.940 25.915 0.00 0.00 -ATOM 4947 H2 H2O C1649 19.529 37.053 26.951 0.00 0.00 -ATOM 4948 O1 H2O C1650 1.703 59.252 43.582 0.00 0.00 -ATOM 4949 H1 H2O C1650 0.996 59.940 43.747 0.00 0.00 -ATOM 4950 H2 H2O C1650 2.568 59.708 43.371 0.00 0.00 -ATOM 4951 O1 H2O C1651 1.613 59.366 51.967 0.00 0.00 -ATOM 4952 H1 H2O C1651 2.140 59.144 52.787 0.00 0.00 -ATOM 4953 H2 H2O C1651 1.477 58.538 51.423 0.00 0.00 -ATOM 4954 O1 H2O C1652 54.195 21.274 41.081 0.00 0.00 -ATOM 4955 H1 H2O C1652 54.262 21.817 40.244 0.00 0.00 -ATOM 4956 H2 H2O C1652 54.402 20.317 40.874 0.00 0.00 -ATOM 4957 O1 H2O C1653 46.823 46.733 19.061 0.00 0.00 -ATOM 4958 H1 H2O C1653 46.802 47.671 19.407 0.00 0.00 -ATOM 4959 H2 H2O C1653 46.187 46.646 18.294 0.00 0.00 -ATOM 4960 O1 H2O C1654 51.732 26.870 29.782 0.00 0.00 -ATOM 4961 H1 H2O C1654 51.601 26.053 30.343 0.00 0.00 -ATOM 4962 H2 H2O C1654 52.303 27.526 30.276 0.00 0.00 -ATOM 4963 O1 H2O C1655 26.567 4.525 10.774 0.00 0.00 -ATOM 4964 H1 H2O C1655 26.803 5.464 11.027 0.00 0.00 -ATOM 4965 H2 H2O C1655 27.188 4.209 10.056 0.00 0.00 -ATOM 4966 O1 H2O C1656 12.514 57.719 51.240 0.00 0.00 -ATOM 4967 H1 H2O C1656 11.858 57.265 50.638 0.00 0.00 -ATOM 4968 H2 H2O C1656 12.419 57.360 52.169 0.00 0.00 -ATOM 4969 O1 H2O C1657 47.544 11.236 2.601 0.00 0.00 -ATOM 4970 H1 H2O C1657 46.837 11.658 2.032 0.00 0.00 -ATOM 4971 H2 H2O C1657 48.434 11.339 2.157 0.00 0.00 -ATOM 4972 O1 H2O C1658 46.438 49.332 54.793 0.00 0.00 -ATOM 4973 H1 H2O C1658 46.929 48.640 54.265 0.00 0.00 -ATOM 4974 H2 H2O C1658 47.040 50.113 54.963 0.00 0.00 -ATOM 4975 O1 H2O C1659 27.534 36.602 24.481 0.00 0.00 -ATOM 4976 H1 H2O C1659 26.689 36.978 24.862 0.00 0.00 -ATOM 4977 H2 H2O C1659 27.910 37.240 23.809 0.00 0.00 -ATOM 4978 O1 H2O C1660 26.411 4.093 26.279 0.00 0.00 -ATOM 4979 H1 H2O C1660 26.388 3.317 26.909 0.00 0.00 -ATOM 4980 H2 H2O C1660 27.339 4.462 26.239 0.00 0.00 -ATOM 4981 O1 H2O C1661 4.596 59.681 59.549 0.00 0.00 -ATOM 4982 H1 H2O C1661 3.635 59.926 59.672 0.00 0.00 -ATOM 4983 H2 H2O C1661 4.683 59.049 58.779 0.00 0.00 -ATOM 4984 O1 H2O C1662 28.310 16.885 22.905 0.00 0.00 -ATOM 4985 H1 H2O C1662 28.949 17.636 23.071 0.00 0.00 -ATOM 4986 H2 H2O C1662 27.436 17.254 22.590 0.00 0.00 -ATOM 4987 O1 H2O C1663 42.856 52.387 57.743 0.00 0.00 -ATOM 4988 H1 H2O C1663 42.723 51.440 57.451 0.00 0.00 -ATOM 4989 H2 H2O C1663 42.772 52.995 56.953 0.00 0.00 -ATOM 4990 O1 H2O C1664 16.172 26.198 11.305 0.00 0.00 -ATOM 4991 H1 H2O C1664 16.898 26.880 11.385 0.00 0.00 -ATOM 4992 H2 H2O C1664 15.915 26.096 10.344 0.00 0.00 -ATOM 4993 O1 H2O C1665 30.640 40.497 17.037 0.00 0.00 -ATOM 4994 H1 H2O C1665 30.464 41.434 17.342 0.00 0.00 -ATOM 4995 H2 H2O C1665 31.615 40.391 16.838 0.00 0.00 -ATOM 4996 O1 H2O C1666 51.454 5.283 47.077 0.00 0.00 -ATOM 4997 H1 H2O C1666 51.813 6.213 46.998 0.00 0.00 -ATOM 4998 H2 H2O C1666 50.466 5.319 47.229 0.00 0.00 -ATOM 4999 O1 H2O C1667 14.693 40.036 43.511 0.00 0.00 -ATOM 5000 H1 H2O C1667 13.857 39.738 43.049 0.00 0.00 -ATOM 5001 H2 H2O C1667 15.444 40.069 42.852 0.00 0.00 -ATOM 5002 O1 H2O C1668 47.013 22.222 58.908 0.00 0.00 -ATOM 5003 H1 H2O C1668 46.380 21.470 58.724 0.00 0.00 -ATOM 5004 H2 H2O C1668 46.495 23.036 59.171 0.00 0.00 -ATOM 5005 O1 H2O C1669 2.086 52.121 26.484 0.00 0.00 -ATOM 5006 H1 H2O C1669 1.117 52.094 26.727 0.00 0.00 -ATOM 5007 H2 H2O C1669 2.179 52.252 25.497 0.00 0.00 -ATOM 5008 O1 H2O C1670 46.208 8.757 56.849 0.00 0.00 -ATOM 5009 H1 H2O C1670 46.864 8.649 57.597 0.00 0.00 -ATOM 5010 H2 H2O C1670 46.493 8.196 56.072 0.00 0.00 -ATOM 5011 O1 H2O C1671 50.619 27.193 25.552 0.00 0.00 -ATOM 5012 H1 H2O C1671 50.564 27.524 24.610 0.00 0.00 -ATOM 5013 H2 H2O C1671 50.668 26.194 25.552 0.00 0.00 -ATOM 5014 O1 H2O C1672 54.880 44.749 45.401 0.00 0.00 -ATOM 5015 H1 H2O C1672 55.560 44.087 45.719 0.00 0.00 -ATOM 5016 H2 H2O C1672 55.255 45.673 45.472 0.00 0.00 -ATOM 5017 O1 H2O C1673 12.134 6.632 2.059 0.00 0.00 -ATOM 5018 H1 H2O C1673 11.925 7.103 2.917 0.00 0.00 -ATOM 5019 H2 H2O C1673 12.881 7.105 1.593 0.00 0.00 -ATOM 5020 O1 H2O C1674 7.978 17.562 38.083 0.00 0.00 -ATOM 5021 H1 H2O C1674 8.717 17.255 38.683 0.00 0.00 -ATOM 5022 H2 H2O C1674 7.458 18.285 38.539 0.00 0.00 -ATOM 5023 O1 H2O C1675 18.705 33.420 5.440 0.00 0.00 -ATOM 5024 H1 H2O C1675 19.104 32.934 6.217 0.00 0.00 -ATOM 5025 H2 H2O C1675 18.726 32.832 4.631 0.00 0.00 -ATOM 5026 O1 H2O C1676 31.850 52.332 49.331 0.00 0.00 -ATOM 5027 H1 H2O C1676 32.828 52.537 49.371 0.00 0.00 -ATOM 5028 H2 H2O C1676 31.646 51.558 49.930 0.00 0.00 -ATOM 5029 O1 H2O C1677 33.620 46.028 2.632 0.00 0.00 -ATOM 5030 H1 H2O C1677 34.520 46.453 2.725 0.00 0.00 -ATOM 5031 H2 H2O C1677 33.730 45.059 2.412 0.00 0.00 -ATOM 5032 O1 H2O C1678 1.325 13.612 37.582 0.00 0.00 -ATOM 5033 H1 H2O C1678 1.697 13.537 36.657 0.00 0.00 -ATOM 5034 H2 H2O C1678 1.690 14.432 38.022 0.00 0.00 -ATOM 5035 O1 H2O C1679 38.473 19.302 26.999 0.00 0.00 -ATOM 5036 H1 H2O C1679 37.574 18.868 27.060 0.00 0.00 -ATOM 5037 H2 H2O C1679 39.087 18.722 26.463 0.00 0.00 -ATOM 5038 O1 H2O C1680 60.004 12.146 34.634 0.00 0.00 -ATOM 5039 H1 H2O C1680 59.682 12.056 33.692 0.00 0.00 -ATOM 5040 H2 H2O C1680 59.290 11.834 35.261 0.00 0.00 -ATOM 5041 O1 H2O C1681 4.114 19.672 26.319 0.00 0.00 -ATOM 5042 H1 H2O C1681 3.821 18.923 26.914 0.00 0.00 -ATOM 5043 H2 H2O C1681 3.464 20.429 26.391 0.00 0.00 -ATOM 5044 O1 H2O C1682 3.095 9.902 42.916 0.00 0.00 -ATOM 5045 H1 H2O C1682 2.921 9.289 42.146 0.00 0.00 -ATOM 5046 H2 H2O C1682 2.303 10.498 43.054 0.00 0.00 -ATOM 5047 O1 H2O C1683 4.177 29.841 54.635 0.00 0.00 -ATOM 5048 H1 H2O C1683 5.103 29.759 55.002 0.00 0.00 -ATOM 5049 H2 H2O C1683 3.955 29.024 54.103 0.00 0.00 -ATOM 5050 O1 H2O C1684 33.107 16.604 5.844 0.00 0.00 -ATOM 5051 H1 H2O C1684 32.485 16.273 6.554 0.00 0.00 -ATOM 5052 H2 H2O C1684 33.470 17.497 6.109 0.00 0.00 -ATOM 5053 O1 H2O C1685 40.193 51.476 42.189 0.00 0.00 -ATOM 5054 H1 H2O C1685 39.500 51.932 42.747 0.00 0.00 -ATOM 5055 H2 H2O C1685 40.219 51.895 41.282 0.00 0.00 -ATOM 5056 O1 H2O C1686 22.136 43.824 24.660 0.00 0.00 -ATOM 5057 H1 H2O C1686 21.186 43.927 24.365 0.00 0.00 -ATOM 5058 H2 H2O C1686 22.158 43.481 25.599 0.00 0.00 -ATOM 5059 O1 H2O C1687 12.833 7.742 14.113 0.00 0.00 -ATOM 5060 H1 H2O C1687 13.159 7.628 15.051 0.00 0.00 -ATOM 5061 H2 H2O C1687 12.763 6.847 13.673 0.00 0.00 -ATOM 5062 O1 H2O C1688 24.246 58.935 35.295 0.00 0.00 -ATOM 5063 H1 H2O C1688 24.889 59.650 35.023 0.00 0.00 -ATOM 5064 H2 H2O C1688 24.231 58.218 34.599 0.00 0.00 -ATOM 5065 O1 H2O C1689 33.300 51.715 5.778 0.00 0.00 -ATOM 5066 H1 H2O C1689 33.705 51.214 5.013 0.00 0.00 -ATOM 5067 H2 H2O C1689 32.307 51.742 5.670 0.00 0.00 -ATOM 5068 O1 H2O C1690 58.649 31.062 49.751 0.00 0.00 -ATOM 5069 H1 H2O C1690 58.658 30.104 50.039 0.00 0.00 -ATOM 5070 H2 H2O C1690 59.534 31.480 49.955 0.00 0.00 -ATOM 5071 O1 H2O C1691 45.649 55.062 50.367 0.00 0.00 -ATOM 5072 H1 H2O C1691 44.797 54.882 50.858 0.00 0.00 -ATOM 5073 H2 H2O C1691 46.018 55.947 50.651 0.00 0.00 -ATOM 5074 O1 H2O C1692 47.225 29.466 32.404 0.00 0.00 -ATOM 5075 H1 H2O C1692 47.967 28.885 32.067 0.00 0.00 -ATOM 5076 H2 H2O C1692 46.405 29.310 31.852 0.00 0.00 -ATOM 5077 O1 H2O C1693 33.102 47.287 56.250 0.00 0.00 -ATOM 5078 H1 H2O C1693 32.868 46.375 56.589 0.00 0.00 -ATOM 5079 H2 H2O C1693 32.272 47.752 55.944 0.00 0.00 -ATOM 5080 O1 H2O C1694 36.267 39.666 11.257 0.00 0.00 -ATOM 5081 H1 H2O C1694 35.381 40.059 11.503 0.00 0.00 -ATOM 5082 H2 H2O C1694 36.973 40.372 11.316 0.00 0.00 -ATOM 5083 O1 H2O C1695 41.090 13.679 4.525 0.00 0.00 -ATOM 5084 H1 H2O C1695 40.793 13.088 3.775 0.00 0.00 -ATOM 5085 H2 H2O C1695 41.921 13.304 4.936 0.00 0.00 -ATOM 5086 O1 H2O C1696 35.947 4.299 1.648 0.00 0.00 -ATOM 5087 H1 H2O C1696 35.995 4.309 2.647 0.00 0.00 -ATOM 5088 H2 H2O C1696 36.659 4.894 1.275 0.00 0.00 -ATOM 5089 O1 H2O C1697 49.119 31.919 31.372 0.00 0.00 -ATOM 5090 H1 H2O C1697 48.821 32.874 31.341 0.00 0.00 -ATOM 5091 H2 H2O C1697 49.958 31.816 30.837 0.00 0.00 -ATOM 5092 O1 H2O C1698 19.530 36.025 6.035 0.00 0.00 -ATOM 5093 H1 H2O C1698 19.590 35.500 5.186 0.00 0.00 -ATOM 5094 H2 H2O C1698 20.022 36.889 5.928 0.00 0.00 -ATOM 5095 O1 H2O C1699 4.853 34.882 59.240 0.00 0.00 -ATOM 5096 H1 H2O C1699 4.444 35.743 58.939 0.00 0.00 -ATOM 5097 H2 H2O C1699 5.402 34.496 58.499 0.00 0.00 -ATOM 5098 O1 H2O C1700 21.780 46.968 36.432 0.00 0.00 -ATOM 5099 H1 H2O C1700 21.229 46.652 35.659 0.00 0.00 -ATOM 5100 H2 H2O C1700 22.748 46.954 36.178 0.00 0.00 -ATOM 5101 O1 H2O C1701 20.386 21.916 30.109 0.00 0.00 -ATOM 5102 H1 H2O C1701 20.184 22.189 29.169 0.00 0.00 -ATOM 5103 H2 H2O C1701 20.565 22.731 30.661 0.00 0.00 -ATOM 5104 O1 H2O C1702 5.684 8.003 57.893 0.00 0.00 -ATOM 5105 H1 H2O C1702 5.428 8.537 57.088 0.00 0.00 -ATOM 5106 H2 H2O C1702 5.830 7.050 57.629 0.00 0.00 -ATOM 5107 O1 H2O C1703 46.431 22.926 14.124 0.00 0.00 -ATOM 5108 H1 H2O C1703 45.649 22.371 14.408 0.00 0.00 -ATOM 5109 H2 H2O C1703 46.386 23.819 14.571 0.00 0.00 -ATOM 5110 O1 H2O C1704 26.248 45.479 26.125 0.00 0.00 -ATOM 5111 H1 H2O C1704 26.338 45.750 27.083 0.00 0.00 -ATOM 5112 H2 H2O C1704 26.230 44.481 26.061 0.00 0.00 -ATOM 5113 O1 H2O C1705 6.229 14.923 9.942 0.00 0.00 -ATOM 5114 H1 H2O C1705 5.810 14.719 10.827 0.00 0.00 -ATOM 5115 H2 H2O C1705 5.701 15.635 9.479 0.00 0.00 -ATOM 5116 O1 H2O C1706 34.211 50.278 52.642 0.00 0.00 -ATOM 5117 H1 H2O C1706 34.851 50.507 51.909 0.00 0.00 -ATOM 5118 H2 H2O C1706 33.719 49.440 52.405 0.00 0.00 -ATOM 5119 O1 H2O C1707 60.002 3.838 26.527 0.00 0.00 -ATOM 5120 H1 H2O C1707 60.367 4.006 25.611 0.00 0.00 -ATOM 5121 H2 H2O C1707 59.104 4.269 26.612 0.00 0.00 -ATOM 5122 O1 H2O C1708 57.255 8.768 34.024 0.00 0.00 -ATOM 5123 H1 H2O C1708 57.972 9.139 33.435 0.00 0.00 -ATOM 5124 H2 H2O C1708 57.389 9.095 34.960 0.00 0.00 -ATOM 5125 O1 H2O C1709 18.804 55.633 52.432 0.00 0.00 -ATOM 5126 H1 H2O C1709 18.454 56.538 52.190 0.00 0.00 -ATOM 5127 H2 H2O C1709 19.564 55.730 53.075 0.00 0.00 -ATOM 5128 O1 H2O C1710 35.873 36.525 43.598 0.00 0.00 -ATOM 5129 H1 H2O C1710 35.775 36.868 42.664 0.00 0.00 -ATOM 5130 H2 H2O C1710 34.968 36.394 44.002 0.00 0.00 -ATOM 5131 O1 H2O C1711 3.716 30.787 11.944 0.00 0.00 -ATOM 5132 H1 H2O C1711 3.809 31.666 11.475 0.00 0.00 -ATOM 5133 H2 H2O C1711 3.106 30.193 11.419 0.00 0.00 -ATOM 5134 O1 H2O C1712 47.828 51.030 57.892 0.00 0.00 -ATOM 5135 H1 H2O C1712 47.153 50.978 57.156 0.00 0.00 -ATOM 5136 H2 H2O C1712 47.793 51.936 58.313 0.00 0.00 -ATOM 5137 O1 H2O C1713 36.879 56.837 52.650 0.00 0.00 -ATOM 5138 H1 H2O C1713 37.475 56.979 51.860 0.00 0.00 -ATOM 5139 H2 H2O C1713 37.215 57.378 53.422 0.00 0.00 -ATOM 5140 O1 H2O C1714 33.279 21.965 2.270 0.00 0.00 -ATOM 5141 H1 H2O C1714 34.111 21.805 1.739 0.00 0.00 -ATOM 5142 H2 H2O C1714 32.489 21.978 1.657 0.00 0.00 -ATOM 5143 O1 H2O C1715 24.744 14.592 10.020 0.00 0.00 -ATOM 5144 H1 H2O C1715 24.489 15.002 9.144 0.00 0.00 -ATOM 5145 H2 H2O C1715 25.498 13.950 9.881 0.00 0.00 -ATOM 5146 O1 H2O C1716 27.274 12.004 41.587 0.00 0.00 -ATOM 5147 H1 H2O C1716 28.072 12.596 41.472 0.00 0.00 -ATOM 5148 H2 H2O C1716 26.541 12.516 42.035 0.00 0.00 -ATOM 5149 O1 H2O C1717 57.206 41.703 10.852 0.00 0.00 -ATOM 5150 H1 H2O C1717 56.306 41.304 11.028 0.00 0.00 -ATOM 5151 H2 H2O C1717 57.662 41.891 11.722 0.00 0.00 -ATOM 5152 O1 H2O C1718 49.021 35.621 54.121 0.00 0.00 -ATOM 5153 H1 H2O C1718 49.843 35.121 54.395 0.00 0.00 -ATOM 5154 H2 H2O C1718 49.267 36.560 53.882 0.00 0.00 -ATOM 5155 O1 H2O C1719 56.078 32.645 40.547 0.00 0.00 -ATOM 5156 H1 H2O C1719 56.200 33.510 40.059 0.00 0.00 -ATOM 5157 H2 H2O C1719 56.825 32.523 41.201 0.00 0.00 -ATOM 5158 O1 H2O C1720 5.570 27.448 30.132 0.00 0.00 -ATOM 5159 H1 H2O C1720 5.706 28.252 30.710 0.00 0.00 -ATOM 5160 H2 H2O C1720 4.875 27.648 29.441 0.00 0.00 -ATOM 5161 O1 H2O C1721 12.827 4.507 39.634 0.00 0.00 -ATOM 5162 H1 H2O C1721 13.277 5.379 39.440 0.00 0.00 -ATOM 5163 H2 H2O C1721 11.862 4.669 39.841 0.00 0.00 -ATOM 5164 O1 H2O C1722 28.337 40.804 55.611 0.00 0.00 -ATOM 5165 H1 H2O C1722 27.563 40.387 55.134 0.00 0.00 -ATOM 5166 H2 H2O C1722 28.562 40.261 56.420 0.00 0.00 -ATOM 5167 O1 H2O C1723 45.630 54.236 59.013 0.00 0.00 -ATOM 5168 H1 H2O C1723 45.678 54.736 58.149 0.00 0.00 -ATOM 5169 H2 H2O C1723 45.518 54.883 59.767 0.00 0.00 -ATOM 5170 O1 H2O C1724 28.403 53.683 16.427 0.00 0.00 -ATOM 5171 H1 H2O C1724 28.868 54.563 16.329 0.00 0.00 -ATOM 5172 H2 H2O C1724 28.560 53.324 17.347 0.00 0.00 -ATOM 5173 O1 H2O C1725 2.522 22.528 34.012 0.00 0.00 -ATOM 5174 H1 H2O C1725 3.025 22.242 34.827 0.00 0.00 -ATOM 5175 H2 H2O C1725 2.086 23.412 34.182 0.00 0.00 -ATOM 5176 O1 H2O C1726 17.594 7.050 5.641 0.00 0.00 -ATOM 5177 H1 H2O C1726 16.621 7.176 5.833 0.00 0.00 -ATOM 5178 H2 H2O C1726 18.133 7.401 6.406 0.00 0.00 -ATOM 5179 O1 H2O C1727 15.464 20.835 16.468 0.00 0.00 -ATOM 5180 H1 H2O C1727 15.649 19.959 16.914 0.00 0.00 -ATOM 5181 H2 H2O C1727 15.126 20.673 15.541 0.00 0.00 -ATOM 5182 O1 H2O C1728 31.677 31.656 53.975 0.00 0.00 -ATOM 5183 H1 H2O C1728 31.600 32.622 53.730 0.00 0.00 -ATOM 5184 H2 H2O C1728 30.865 31.375 54.486 0.00 0.00 -ATOM 5185 O1 H2O C1729 28.528 10.164 19.213 0.00 0.00 -ATOM 5186 H1 H2O C1729 28.623 10.231 18.220 0.00 0.00 -ATOM 5187 H2 H2O C1729 27.725 9.611 19.434 0.00 0.00 -ATOM 5188 O1 H2O C1730 17.338 18.187 5.756 0.00 0.00 -ATOM 5189 H1 H2O C1730 17.928 18.994 5.722 0.00 0.00 -ATOM 5190 H2 H2O C1730 16.476 18.424 6.204 0.00 0.00 -ATOM 5191 O1 H2O C1731 4.755 21.344 48.821 0.00 0.00 -ATOM 5192 H1 H2O C1731 4.896 22.209 49.302 0.00 0.00 -ATOM 5193 H2 H2O C1731 4.459 20.645 49.472 0.00 0.00 -ATOM 5194 O1 H2O C1732 50.878 43.809 28.827 0.00 0.00 -ATOM 5195 H1 H2O C1732 51.689 43.283 29.085 0.00 0.00 -ATOM 5196 H2 H2O C1732 50.104 43.187 28.701 0.00 0.00 -ATOM 5197 O1 H2O C1733 15.021 49.248 21.704 0.00 0.00 -ATOM 5198 H1 H2O C1733 14.688 48.590 22.380 0.00 0.00 -ATOM 5199 H2 H2O C1733 14.611 50.143 21.880 0.00 0.00 -ATOM 5200 O1 H2O C1734 15.369 47.404 37.291 0.00 0.00 -ATOM 5201 H1 H2O C1734 15.270 48.396 37.361 0.00 0.00 -ATOM 5202 H2 H2O C1734 14.490 46.997 37.044 0.00 0.00 -ATOM 5203 O1 H2O C1735 53.467 47.801 7.773 0.00 0.00 -ATOM 5204 H1 H2O C1735 54.430 47.549 7.670 0.00 0.00 -ATOM 5205 H2 H2O C1735 53.009 47.735 6.886 0.00 0.00 -ATOM 5206 O1 H2O C1736 57.787 50.466 36.030 0.00 0.00 -ATOM 5207 H1 H2O C1736 58.329 50.631 35.205 0.00 0.00 -ATOM 5208 H2 H2O C1736 58.251 50.867 36.819 0.00 0.00 -ATOM 5209 O1 H2O C1737 6.998 7.820 42.847 0.00 0.00 -ATOM 5210 H1 H2O C1737 7.523 8.471 42.296 0.00 0.00 -ATOM 5211 H2 H2O C1737 6.020 7.981 42.709 0.00 0.00 -ATOM 5212 O1 H2O C1738 15.520 15.799 39.229 0.00 0.00 -ATOM 5213 H1 H2O C1738 14.691 15.243 39.276 0.00 0.00 -ATOM 5214 H2 H2O C1738 16.213 15.418 39.842 0.00 0.00 -ATOM 5215 O1 H2O C1739 3.109 57.119 40.596 0.00 0.00 -ATOM 5216 H1 H2O C1739 3.447 56.968 39.667 0.00 0.00 -ATOM 5217 H2 H2O C1739 3.698 57.778 41.062 0.00 0.00 -ATOM 5218 O1 H2O C1740 19.780 40.321 14.181 0.00 0.00 -ATOM 5219 H1 H2O C1740 19.213 39.531 14.412 0.00 0.00 -ATOM 5220 H2 H2O C1740 19.427 41.132 14.646 0.00 0.00 -ATOM 5221 O1 H2O C1741 43.523 57.976 8.609 0.00 0.00 -ATOM 5222 H1 H2O C1741 42.913 58.693 8.946 0.00 0.00 -ATOM 5223 H2 H2O C1741 43.075 57.478 7.867 0.00 0.00 -ATOM 5224 O1 H2O C1742 28.390 39.758 29.413 0.00 0.00 -ATOM 5225 H1 H2O C1742 28.240 40.563 29.987 0.00 0.00 -ATOM 5226 H2 H2O C1742 29.349 39.723 29.133 0.00 0.00 -ATOM 5227 O1 H2O C1743 6.133 14.165 19.353 0.00 0.00 -ATOM 5228 H1 H2O C1743 5.864 13.892 20.277 0.00 0.00 -ATOM 5229 H2 H2O C1743 7.071 14.512 19.368 0.00 0.00 -ATOM 5230 O1 H2O C1744 44.821 21.771 6.104 0.00 0.00 -ATOM 5231 H1 H2O C1744 43.863 21.507 6.228 0.00 0.00 -ATOM 5232 H2 H2O C1744 45.388 21.288 6.772 0.00 0.00 -ATOM 5233 O1 H2O C1745 25.562 49.420 18.794 0.00 0.00 -ATOM 5234 H1 H2O C1745 26.458 49.488 18.355 0.00 0.00 -ATOM 5235 H2 H2O C1745 25.480 50.128 19.495 0.00 0.00 -ATOM 5236 O1 H2O C1746 18.598 36.892 16.823 0.00 0.00 -ATOM 5237 H1 H2O C1746 19.428 37.174 16.341 0.00 0.00 -ATOM 5238 H2 H2O C1746 18.588 37.299 17.736 0.00 0.00 -ATOM 5239 O1 H2O C1747 15.942 6.421 56.057 0.00 0.00 -ATOM 5240 H1 H2O C1747 15.833 6.302 55.070 0.00 0.00 -ATOM 5241 H2 H2O C1747 15.043 6.532 56.481 0.00 0.00 -ATOM 5242 O1 H2O C1748 59.511 19.361 22.768 0.00 0.00 -ATOM 5243 H1 H2O C1748 59.310 20.030 22.053 0.00 0.00 -ATOM 5244 H2 H2O C1748 58.676 19.161 23.282 0.00 0.00 -ATOM 5245 O1 H2O C1749 21.743 43.314 23.806 0.00 0.00 -ATOM 5246 H1 H2O C1749 22.378 43.994 23.440 0.00 0.00 -ATOM 5247 H2 H2O C1749 21.340 42.795 23.052 0.00 0.00 -ATOM 5248 O1 H2O C1750 32.159 17.859 39.838 0.00 0.00 -ATOM 5249 H1 H2O C1750 33.035 17.415 39.647 0.00 0.00 -ATOM 5250 H2 H2O C1750 31.458 17.488 39.230 0.00 0.00 -ATOM 5251 O1 H2O C1751 2.260 18.474 46.341 0.00 0.00 -ATOM 5252 H1 H2O C1751 2.763 18.770 47.153 0.00 0.00 -ATOM 5253 H2 H2O C1751 2.827 17.845 45.809 0.00 0.00 -ATOM 5254 O1 H2O C1752 31.986 59.301 51.211 0.00 0.00 -ATOM 5255 H1 H2O C1752 31.992 60.098 50.607 0.00 0.00 -ATOM 5256 H2 H2O C1752 31.187 58.735 51.007 0.00 0.00 -ATOM 5257 O1 H2O C1753 56.276 16.341 47.570 0.00 0.00 -ATOM 5258 H1 H2O C1753 56.525 15.428 47.248 0.00 0.00 -ATOM 5259 H2 H2O C1753 55.503 16.684 47.034 0.00 0.00 -ATOM 5260 O1 H2O C1754 42.882 33.818 50.016 0.00 0.00 -ATOM 5261 H1 H2O C1754 41.971 34.003 50.384 0.00 0.00 -ATOM 5262 H2 H2O C1754 43.227 32.960 50.395 0.00 0.00 -ATOM 5263 O1 H2O C1755 52.047 2.700 2.834 0.00 0.00 -ATOM 5264 H1 H2O C1755 52.092 1.701 2.848 0.00 0.00 -ATOM 5265 H2 H2O C1755 51.099 2.992 2.957 0.00 0.00 -ATOM 5266 O1 H2O C1756 52.694 10.646 43.480 0.00 0.00 -ATOM 5267 H1 H2O C1756 52.647 11.018 42.553 0.00 0.00 -ATOM 5268 H2 H2O C1756 52.528 9.660 43.452 0.00 0.00 -ATOM 5269 O1 H2O C1757 8.077 56.052 48.301 0.00 0.00 -ATOM 5270 H1 H2O C1757 8.483 55.699 49.144 0.00 0.00 -ATOM 5271 H2 H2O C1757 7.175 56.434 48.500 0.00 0.00 -ATOM 5272 O1 H2O C1758 35.503 27.775 36.934 0.00 0.00 -ATOM 5273 H1 H2O C1758 35.929 28.512 37.459 0.00 0.00 -ATOM 5274 H2 H2O C1758 36.145 27.013 36.849 0.00 0.00 -ATOM 5275 O1 H2O C1759 44.349 44.272 38.133 0.00 0.00 -ATOM 5276 H1 H2O C1759 44.360 44.911 37.364 0.00 0.00 -ATOM 5277 H2 H2O C1759 43.667 43.560 37.966 0.00 0.00 -ATOM 5278 O1 H2O C1760 38.047 37.887 29.757 0.00 0.00 -ATOM 5279 H1 H2O C1760 37.242 37.879 29.164 0.00 0.00 -ATOM 5280 H2 H2O C1760 38.406 38.818 29.818 0.00 0.00 -ATOM 5281 O1 H2O C1761 36.123 58.414 46.334 0.00 0.00 -ATOM 5282 H1 H2O C1761 35.862 58.673 45.404 0.00 0.00 -ATOM 5283 H2 H2O C1761 35.998 57.429 46.454 0.00 0.00 -ATOM 5284 O1 H2O C1762 22.026 25.622 51.668 0.00 0.00 -ATOM 5285 H1 H2O C1762 22.363 26.283 50.998 0.00 0.00 -ATOM 5286 H2 H2O C1762 21.408 26.080 52.307 0.00 0.00 -ATOM 5287 O1 H2O C1763 11.131 28.792 12.943 0.00 0.00 -ATOM 5288 H1 H2O C1763 10.555 29.521 12.574 0.00 0.00 -ATOM 5289 H2 H2O C1763 11.499 29.075 13.829 0.00 0.00 -ATOM 5290 O1 H2O C1764 12.781 8.765 15.747 0.00 0.00 -ATOM 5291 H1 H2O C1764 12.684 7.787 15.567 0.00 0.00 -ATOM 5292 H2 H2O C1764 12.161 9.032 16.484 0.00 0.00 -ATOM 5293 O1 H2O C1765 41.967 8.819 30.586 0.00 0.00 -ATOM 5294 H1 H2O C1765 41.010 9.050 30.764 0.00 0.00 -ATOM 5295 H2 H2O C1765 42.036 8.332 29.715 0.00 0.00 -ATOM 5296 O1 H2O C1766 15.024 6.859 38.602 0.00 0.00 -ATOM 5297 H1 H2O C1766 14.548 7.738 38.602 0.00 0.00 -ATOM 5298 H2 H2O C1766 15.020 6.478 39.527 0.00 0.00 -ATOM 5299 O1 H2O C1767 55.078 56.617 19.577 0.00 0.00 -ATOM 5300 H1 H2O C1767 54.473 56.746 20.363 0.00 0.00 -ATOM 5301 H2 H2O C1767 55.725 55.880 19.773 0.00 0.00 -ATOM 5302 O1 H2O C1768 38.614 30.195 2.905 0.00 0.00 -ATOM 5303 H1 H2O C1768 38.872 31.138 3.114 0.00 0.00 -ATOM 5304 H2 H2O C1768 39.431 29.619 2.900 0.00 0.00 -ATOM 5305 O1 H2O C1769 7.081 6.823 14.300 0.00 0.00 -ATOM 5306 H1 H2O C1769 6.959 6.051 14.924 0.00 0.00 -ATOM 5307 H2 H2O C1769 6.187 7.168 14.017 0.00 0.00 -ATOM 5308 O1 H2O C1770 59.142 11.883 28.259 0.00 0.00 -ATOM 5309 H1 H2O C1770 60.084 11.578 28.400 0.00 0.00 -ATOM 5310 H2 H2O C1770 58.552 11.477 28.958 0.00 0.00 -ATOM 5311 O1 H2O C1771 59.241 46.231 55.887 0.00 0.00 -ATOM 5312 H1 H2O C1771 59.613 46.974 56.445 0.00 0.00 -ATOM 5313 H2 H2O C1771 59.912 45.968 55.193 0.00 0.00 -ATOM 5314 O1 H2O C1772 4.687 52.463 47.576 0.00 0.00 -ATOM 5315 H1 H2O C1772 4.290 52.792 46.719 0.00 0.00 -ATOM 5316 H2 H2O C1772 5.424 51.817 47.376 0.00 0.00 -ATOM 5317 O1 H2O C1773 52.249 42.425 22.259 0.00 0.00 -ATOM 5318 H1 H2O C1773 51.295 42.426 22.562 0.00 0.00 -ATOM 5319 H2 H2O C1773 52.834 42.104 23.004 0.00 0.00 -ATOM 5320 O1 H2O C1774 25.293 47.721 53.945 0.00 0.00 -ATOM 5321 H1 H2O C1774 25.955 47.950 53.232 0.00 0.00 -ATOM 5322 H2 H2O C1774 25.714 47.846 54.843 0.00 0.00 -ATOM 5323 O1 H2O C1775 8.554 48.577 26.085 0.00 0.00 -ATOM 5324 H1 H2O C1775 8.385 48.206 26.998 0.00 0.00 -ATOM 5325 H2 H2O C1775 9.290 48.060 25.647 0.00 0.00 -ATOM 5326 O1 H2O C1776 7.262 35.692 11.680 0.00 0.00 -ATOM 5327 H1 H2O C1776 7.976 36.048 12.283 0.00 0.00 -ATOM 5328 H2 H2O C1776 6.703 36.449 11.342 0.00 0.00 -ATOM 5329 O1 H2O C1777 59.158 9.645 50.261 0.00 0.00 -ATOM 5330 H1 H2O C1777 59.208 10.644 50.226 0.00 0.00 -ATOM 5331 H2 H2O C1777 59.382 9.268 49.363 0.00 0.00 -ATOM 5332 O1 H2O C1778 43.432 55.771 43.659 0.00 0.00 -ATOM 5333 H1 H2O C1778 43.702 56.725 43.792 0.00 0.00 -ATOM 5334 H2 H2O C1778 42.627 55.571 44.218 0.00 0.00 -ATOM 5335 O1 H2O C1779 6.516 46.575 23.028 0.00 0.00 -ATOM 5336 H1 H2O C1779 6.982 45.868 22.497 0.00 0.00 -ATOM 5337 H2 H2O C1779 6.233 47.317 22.420 0.00 0.00 -ATOM 5338 O1 H2O C1780 2.021 35.515 27.875 0.00 0.00 -ATOM 5339 H1 H2O C1780 1.046 35.417 27.677 0.00 0.00 -ATOM 5340 H2 H2O C1780 2.169 36.336 28.425 0.00 0.00 -ATOM 5341 O1 H2O C1781 8.397 29.282 5.005 0.00 0.00 -ATOM 5342 H1 H2O C1781 8.437 30.153 4.514 0.00 0.00 -ATOM 5343 H2 H2O C1781 9.275 28.812 4.923 0.00 0.00 -ATOM 5344 O1 H2O C1782 45.731 -0.001 25.070 0.00 0.00 -ATOM 5345 H1 H2O C1782 44.916 0.079 24.495 0.00 0.00 -ATOM 5346 H2 H2O C1782 46.109 0.910 25.239 0.00 0.00 -ATOM 5347 O1 H2O C1783 33.728 1.598 55.450 0.00 0.00 -ATOM 5348 H1 H2O C1783 34.156 2.072 54.681 0.00 0.00 -ATOM 5349 H2 H2O C1783 34.326 0.858 55.759 0.00 0.00 -ATOM 5350 O1 H2O C1784 25.383 18.827 42.912 0.00 0.00 -ATOM 5351 H1 H2O C1784 25.705 19.774 42.894 0.00 0.00 -ATOM 5352 H2 H2O C1784 24.955 18.637 43.797 0.00 0.00 -ATOM 5353 O1 H2O C1785 41.147 25.146 36.618 0.00 0.00 -ATOM 5354 H1 H2O C1785 40.261 25.267 37.066 0.00 0.00 -ATOM 5355 H2 H2O C1785 41.791 25.829 36.964 0.00 0.00 -ATOM 5356 O1 H2O C1786 36.141 42.109 51.567 0.00 0.00 -ATOM 5357 H1 H2O C1786 36.567 43.008 51.674 0.00 0.00 -ATOM 5358 H2 H2O C1786 35.168 42.173 51.786 0.00 0.00 -ATOM 5359 O1 H2O C1787 47.530 9.953 27.445 0.00 0.00 -ATOM 5360 H1 H2O C1787 47.643 9.079 26.973 0.00 0.00 -ATOM 5361 H2 H2O C1787 46.973 9.821 28.264 0.00 0.00 -ATOM 5362 O1 H2O C1788 43.865 57.552 52.915 0.00 0.00 -ATOM 5363 H1 H2O C1788 44.014 56.926 52.150 0.00 0.00 -ATOM 5364 H2 H2O C1788 42.883 57.667 53.066 0.00 0.00 -ATOM 5365 O1 H2O C1789 12.751 16.180 54.763 0.00 0.00 -ATOM 5366 H1 H2O C1789 13.648 16.417 55.137 0.00 0.00 -ATOM 5367 H2 H2O C1789 12.772 16.267 53.767 0.00 0.00 -ATOM 5368 O1 H2O C1790 46.972 58.331 28.978 0.00 0.00 -ATOM 5369 H1 H2O C1790 46.398 58.565 28.193 0.00 0.00 -ATOM 5370 H2 H2O C1790 47.890 58.704 28.843 0.00 0.00 -ATOM 5371 O1 H2O C1791 41.959 40.775 58.673 0.00 0.00 -ATOM 5372 H1 H2O C1791 41.337 41.467 58.307 0.00 0.00 -ATOM 5373 H2 H2O C1791 42.779 40.729 58.102 0.00 0.00 -ATOM 5374 O1 H2O C1792 50.353 1.562 44.205 0.00 0.00 -ATOM 5375 H1 H2O C1792 50.259 1.513 45.199 0.00 0.00 -ATOM 5376 H2 H2O C1792 51.112 0.980 43.913 0.00 0.00 -ATOM 5377 O1 H2O C1793 6.767 17.518 23.007 0.00 0.00 -ATOM 5378 H1 H2O C1793 6.707 18.181 23.754 0.00 0.00 -ATOM 5379 H2 H2O C1793 6.371 16.648 23.300 0.00 0.00 -ATOM 5380 O1 H2O C1794 0.361 5.221 34.583 0.00 0.00 -ATOM 5381 H1 H2O C1794 0.193 4.947 35.530 0.00 0.00 -ATOM 5382 H2 H2O C1794 1.125 4.692 34.213 0.00 0.00 -ATOM 5383 O1 H2O C1795 57.120 51.932 29.661 0.00 0.00 -ATOM 5384 H1 H2O C1795 56.196 51.599 29.848 0.00 0.00 -ATOM 5385 H2 H2O C1795 57.233 52.067 28.677 0.00 0.00 -ATOM 5386 O1 H2O C1796 53.775 5.093 51.802 0.00 0.00 -ATOM 5387 H1 H2O C1796 52.950 4.553 51.971 0.00 0.00 -ATOM 5388 H2 H2O C1796 54.580 4.507 51.886 0.00 0.00 -ATOM 5389 O1 H2O C1797 27.196 48.619 12.395 0.00 0.00 -ATOM 5390 H1 H2O C1797 27.610 48.048 11.686 0.00 0.00 -ATOM 5391 H2 H2O C1797 27.748 48.567 13.228 0.00 0.00 -ATOM 5392 O1 H2O C1798 56.891 45.593 29.525 0.00 0.00 -ATOM 5393 H1 H2O C1798 56.942 46.449 29.012 0.00 0.00 -ATOM 5394 H2 H2O C1798 57.289 45.724 30.433 0.00 0.00 -ATOM 5395 O1 H2O C1799 59.047 44.192 13.796 0.00 0.00 -ATOM 5396 H1 H2O C1799 59.706 43.911 14.493 0.00 0.00 -ATOM 5397 H2 H2O C1799 58.445 44.898 14.171 0.00 0.00 -ATOM 5398 O1 H2O C1800 28.853 4.281 46.612 0.00 0.00 -ATOM 5399 H1 H2O C1800 29.020 3.438 47.123 0.00 0.00 -ATOM 5400 H2 H2O C1800 28.939 4.101 45.632 0.00 0.00 -ATOM 5401 O1 H2O C1801 40.388 7.300 20.384 0.00 0.00 -ATOM 5402 H1 H2O C1801 41.369 7.448 20.512 0.00 0.00 -ATOM 5403 H2 H2O C1801 40.238 6.750 19.563 0.00 0.00 -ATOM 5404 O1 H2O C1802 18.799 10.267 22.818 0.00 0.00 -ATOM 5405 H1 H2O C1802 18.364 10.480 23.693 0.00 0.00 -ATOM 5406 H2 H2O C1802 19.193 11.101 22.431 0.00 0.00 -ATOM 5407 O1 H2O C1803 11.385 58.038 14.076 0.00 0.00 -ATOM 5408 H1 H2O C1803 11.613 58.978 13.820 0.00 0.00 -ATOM 5409 H2 H2O C1803 11.895 57.402 13.497 0.00 0.00 -ATOM 5410 O1 H2O C1804 13.756 22.046 21.314 0.00 0.00 -ATOM 5411 H1 H2O C1804 14.685 21.768 21.068 0.00 0.00 -ATOM 5412 H2 H2O C1804 13.120 21.750 20.602 0.00 0.00 -ATOM 5413 O1 H2O C1805 41.102 49.965 38.978 0.00 0.00 -ATOM 5414 H1 H2O C1805 40.797 49.280 39.640 0.00 0.00 -ATOM 5415 H2 H2O C1805 40.627 49.822 38.109 0.00 0.00 -ATOM 5416 O1 H2O C1806 59.050 41.127 29.652 0.00 0.00 -ATOM 5417 H1 H2O C1806 59.718 41.856 29.504 0.00 0.00 -ATOM 5418 H2 H2O C1806 58.584 40.922 28.792 0.00 0.00 -ATOM 5419 O1 H2O C1807 18.237 3.416 58.236 0.00 0.00 -ATOM 5420 H1 H2O C1807 18.767 2.620 58.529 0.00 0.00 -ATOM 5421 H2 H2O C1807 18.340 3.540 57.249 0.00 0.00 -ATOM 5422 O1 H2O C1808 49.172 7.102 54.360 0.00 0.00 -ATOM 5423 H1 H2O C1808 48.472 7.291 55.050 0.00 0.00 -ATOM 5424 H2 H2O C1808 48.800 6.479 53.671 0.00 0.00 -ATOM 5425 O1 H2O C1809 27.748 31.499 27.806 0.00 0.00 -ATOM 5426 H1 H2O C1809 27.894 32.022 28.646 0.00 0.00 -ATOM 5427 H2 H2O C1809 28.391 30.734 27.773 0.00 0.00 -ATOM 5428 O1 H2O C1810 37.490 27.400 53.359 0.00 0.00 -ATOM 5429 H1 H2O C1810 37.969 28.083 52.808 0.00 0.00 -ATOM 5430 H2 H2O C1810 37.660 27.576 54.329 0.00 0.00 -ATOM 5431 O1 H2O C1811 55.678 21.178 43.105 0.00 0.00 -ATOM 5432 H1 H2O C1811 56.038 22.088 42.898 0.00 0.00 -ATOM 5433 H2 H2O C1811 55.272 20.785 42.280 0.00 0.00 -ATOM 5434 O1 H2O C1812 52.390 0.974 36.823 0.00 0.00 -ATOM 5435 H1 H2O C1812 52.058 1.302 37.708 0.00 0.00 -ATOM 5436 H2 H2O C1812 52.187 1.653 36.118 0.00 0.00 -ATOM 5437 O1 H2O C1813 11.795 11.894 9.531 0.00 0.00 -ATOM 5438 H1 H2O C1813 11.779 10.938 9.241 0.00 0.00 -ATOM 5439 H2 H2O C1813 11.297 11.988 10.394 0.00 0.00 -ATOM 5440 O1 H2O C1814 57.600 52.239 40.133 0.00 0.00 -ATOM 5441 H1 H2O C1814 57.539 51.621 39.350 0.00 0.00 -ATOM 5442 H2 H2O C1814 58.448 52.062 40.632 0.00 0.00 -ATOM 5443 O1 H2O C1815 25.436 34.233 49.374 0.00 0.00 -ATOM 5444 H1 H2O C1815 25.558 34.358 50.358 0.00 0.00 -ATOM 5445 H2 H2O C1815 24.531 34.563 49.105 0.00 0.00 -ATOM 5446 O1 H2O C1816 25.169 46.276 47.607 0.00 0.00 -ATOM 5447 H1 H2O C1816 25.108 47.063 48.222 0.00 0.00 -ATOM 5448 H2 H2O C1816 25.809 46.481 46.867 0.00 0.00 -ATOM 5449 O1 H2O C1817 45.409 42.621 53.717 0.00 0.00 -ATOM 5450 H1 H2O C1817 46.408 42.665 53.733 0.00 0.00 -ATOM 5451 H2 H2O C1817 45.118 41.665 53.669 0.00 0.00 -ATOM 5452 O1 H2O C1818 32.068 5.515 25.311 0.00 0.00 -ATOM 5453 H1 H2O C1818 31.860 4.863 24.581 0.00 0.00 -ATOM 5454 H2 H2O C1818 31.285 6.122 25.448 0.00 0.00 -ATOM 5455 O1 H2O C1819 23.352 56.855 45.641 0.00 0.00 -ATOM 5456 H1 H2O C1819 23.762 56.634 44.756 0.00 0.00 -ATOM 5457 H2 H2O C1819 24.066 57.162 46.270 0.00 0.00 -ATOM 5458 O1 H2O C1820 53.369 32.311 51.113 0.00 0.00 -ATOM 5459 H1 H2O C1820 53.993 32.987 51.505 0.00 0.00 -ATOM 5460 H2 H2O C1820 52.445 32.691 51.079 0.00 0.00 -ATOM 5461 O1 H2O C1821 39.052 31.257 59.409 0.00 0.00 -ATOM 5462 H1 H2O C1821 39.043 30.502 60.065 0.00 0.00 -ATOM 5463 H2 H2O C1821 39.247 32.113 59.889 0.00 0.00 -ATOM 5464 O1 H2O C1822 25.645 14.581 7.962 0.00 0.00 -ATOM 5465 H1 H2O C1822 26.288 15.343 8.036 0.00 0.00 -ATOM 5466 H2 H2O C1822 24.774 14.837 8.381 0.00 0.00 -ATOM 5467 O1 H2O C1823 56.156 3.663 2.815 0.00 0.00 -ATOM 5468 H1 H2O C1823 56.601 2.957 2.263 0.00 0.00 -ATOM 5469 H2 H2O C1823 55.485 4.150 2.256 0.00 0.00 -ATOM 5470 O1 H2O C1824 53.007 52.501 19.210 0.00 0.00 -ATOM 5471 H1 H2O C1824 53.832 52.868 18.779 0.00 0.00 -ATOM 5472 H2 H2O C1824 52.575 53.215 19.763 0.00 0.00 -ATOM 5473 O1 H2O C1825 7.960 32.640 41.461 0.00 0.00 -ATOM 5474 H1 H2O C1825 6.987 32.483 41.633 0.00 0.00 -ATOM 5475 H2 H2O C1825 8.088 33.557 41.082 0.00 0.00 -ATOM 5476 O1 H2O C1826 58.427 17.584 46.001 0.00 0.00 -ATOM 5477 H1 H2O C1826 58.220 16.616 46.142 0.00 0.00 -ATOM 5478 H2 H2O C1826 58.115 18.111 46.792 0.00 0.00 -ATOM 5479 O1 H2O C1827 41.819 26.806 56.729 0.00 0.00 -ATOM 5480 H1 H2O C1827 42.191 26.958 55.814 0.00 0.00 -ATOM 5481 H2 H2O C1827 41.029 26.195 56.671 0.00 0.00 -ATOM 5482 O1 H2O C1828 3.613 9.597 22.774 0.00 0.00 -ATOM 5483 H1 H2O C1828 4.094 9.599 21.897 0.00 0.00 -ATOM 5484 H2 H2O C1828 3.969 10.335 23.349 0.00 0.00 -ATOM 5485 O1 H2O C1829 37.731 46.338 11.345 0.00 0.00 -ATOM 5486 H1 H2O C1829 37.482 46.968 12.080 0.00 0.00 -ATOM 5487 H2 H2O C1829 37.617 46.794 10.462 0.00 0.00 -ATOM 5488 O1 H2O C1830 27.855 46.528 5.942 0.00 0.00 -ATOM 5489 H1 H2O C1830 26.858 46.593 5.904 0.00 0.00 -ATOM 5490 H2 H2O C1830 28.119 45.850 6.628 0.00 0.00 -ATOM 5491 O1 H2O C1831 40.726 45.022 55.721 0.00 0.00 -ATOM 5492 H1 H2O C1831 41.293 45.684 55.230 0.00 0.00 -ATOM 5493 H2 H2O C1831 40.850 45.143 56.706 0.00 0.00 -ATOM 5494 O1 H2O C1832 13.391 41.508 30.023 0.00 0.00 -ATOM 5495 H1 H2O C1832 13.764 40.595 30.191 0.00 0.00 -ATOM 5496 H2 H2O C1832 12.661 41.696 30.680 0.00 0.00 -ATOM 5497 O1 H2O C1833 20.302 20.918 48.426 0.00 0.00 -ATOM 5498 H1 H2O C1833 20.825 20.699 49.249 0.00 0.00 -ATOM 5499 H2 H2O C1833 20.708 20.452 47.640 0.00 0.00 -ATOM 5500 O1 H2O C1834 24.656 23.238 47.866 0.00 0.00 -ATOM 5501 H1 H2O C1834 25.306 23.488 47.149 0.00 0.00 -ATOM 5502 H2 H2O C1834 24.041 22.527 47.525 0.00 0.00 -ATOM 5503 O1 H2O C1835 57.022 12.579 41.782 0.00 0.00 -ATOM 5504 H1 H2O C1835 57.499 13.439 41.966 0.00 0.00 -ATOM 5505 H2 H2O C1835 56.097 12.774 41.455 0.00 0.00 -ATOM 5506 O1 H2O C1836 30.374 36.393 2.065 0.00 0.00 -ATOM 5507 H1 H2O C1836 30.165 36.246 1.098 0.00 0.00 -ATOM 5508 H2 H2O C1836 29.690 37.003 2.465 0.00 0.00 -ATOM 5509 O1 H2O C1837 30.604 25.224 10.626 0.00 0.00 -ATOM 5510 H1 H2O C1837 30.962 25.417 11.539 0.00 0.00 -ATOM 5511 H2 H2O C1837 31.348 25.271 9.960 0.00 0.00 -ATOM 5512 O1 H2O C1838 3.665 49.604 29.345 0.00 0.00 -ATOM 5513 H1 H2O C1838 4.323 48.967 28.943 0.00 0.00 -ATOM 5514 H2 H2O C1838 2.736 49.267 29.186 0.00 0.00 -ATOM 5515 O1 H2O C1839 46.606 29.425 25.467 0.00 0.00 -ATOM 5516 H1 H2O C1839 46.575 29.172 24.500 0.00 0.00 -ATOM 5517 H2 H2O C1839 47.558 29.501 25.761 0.00 0.00 -ATOM 5518 O1 H2O C1840 19.548 48.555 40.447 0.00 0.00 -ATOM 5519 H1 H2O C1840 20.111 48.696 41.262 0.00 0.00 -ATOM 5520 H2 H2O C1840 19.276 49.441 40.072 0.00 0.00 -ATOM 5521 O1 H2O C1841 27.393 15.539 2.187 0.00 0.00 -ATOM 5522 H1 H2O C1841 26.421 15.570 1.953 0.00 0.00 -ATOM 5523 H2 H2O C1841 27.519 14.995 3.017 0.00 0.00 -ATOM 5524 O1 H2O C1842 25.086 42.175 35.011 0.00 0.00 -ATOM 5525 H1 H2O C1842 25.940 41.749 34.713 0.00 0.00 -ATOM 5526 H2 H2O C1842 24.341 41.510 34.945 0.00 0.00 -ATOM 5527 O1 H2O C1843 51.476 30.250 56.969 0.00 0.00 -ATOM 5528 H1 H2O C1843 50.683 30.744 57.326 0.00 0.00 -ATOM 5529 H2 H2O C1843 52.309 30.600 57.399 0.00 0.00 -ATOM 5530 O1 H2O C1844 25.315 8.377 1.662 0.00 0.00 -ATOM 5531 H1 H2O C1844 25.668 8.531 0.739 0.00 0.00 -ATOM 5532 H2 H2O C1844 25.890 7.705 2.130 0.00 0.00 -ATOM 5533 O1 H2O C1845 39.455 56.555 0.371 0.00 0.00 -ATOM 5534 H1 H2O C1845 40.257 56.682 0.954 0.00 0.00 -ATOM 5535 H2 H2O C1845 38.846 55.878 0.785 0.00 0.00 -ATOM 5536 O1 H2O C1846 9.914 26.275 46.977 0.00 0.00 -ATOM 5537 H1 H2O C1846 9.559 26.215 46.044 0.00 0.00 -ATOM 5538 H2 H2O C1846 9.472 25.581 47.546 0.00 0.00 -ATOM 5539 O1 H2O C1847 59.355 53.673 8.816 0.00 0.00 -ATOM 5540 H1 H2O C1847 58.895 53.165 8.087 0.00 0.00 -ATOM 5541 H2 H2O C1847 59.983 54.339 8.413 0.00 0.00 -ATOM 5542 O1 H2O C1848 21.198 25.468 37.412 0.00 0.00 -ATOM 5543 H1 H2O C1848 21.818 25.349 38.188 0.00 0.00 -ATOM 5544 H2 H2O C1848 20.441 26.065 37.678 0.00 0.00 -ATOM 5545 O1 H2O C1849 14.744 22.725 15.531 0.00 0.00 -ATOM 5546 H1 H2O C1849 15.294 22.487 16.331 0.00 0.00 -ATOM 5547 H2 H2O C1849 14.451 23.679 15.600 0.00 0.00 -ATOM 5548 O1 H2O C1850 25.846 51.486 -0.045 0.00 0.00 -ATOM 5549 H1 H2O C1850 25.484 52.092 -0.753 0.00 0.00 -ATOM 5550 H2 H2O C1850 25.953 51.997 0.808 0.00 0.00 -ATOM 5551 O1 H2O C1851 41.653 8.658 39.824 0.00 0.00 -ATOM 5552 H1 H2O C1851 41.899 7.806 39.361 0.00 0.00 -ATOM 5553 H2 H2O C1851 41.196 8.447 40.688 0.00 0.00 -ATOM 5554 O1 H2O C1852 27.643 41.788 34.146 0.00 0.00 -ATOM 5555 H1 H2O C1852 28.151 42.354 33.497 0.00 0.00 -ATOM 5556 H2 H2O C1852 27.614 42.244 35.035 0.00 0.00 -ATOM 5557 O1 H2O C1853 49.720 26.012 23.255 0.00 0.00 -ATOM 5558 H1 H2O C1853 49.913 26.342 24.179 0.00 0.00 -ATOM 5559 H2 H2O C1853 50.567 25.692 22.831 0.00 0.00 -ATOM 5560 O1 H2O C1854 21.076 3.734 10.829 0.00 0.00 -ATOM 5561 H1 H2O C1854 22.001 3.933 10.504 0.00 0.00 -ATOM 5562 H2 H2O C1854 20.580 4.591 10.967 0.00 0.00 -ATOM 5563 O1 H2O C1855 13.209 54.548 59.040 0.00 0.00 -ATOM 5564 H1 H2O C1855 12.553 54.810 59.748 0.00 0.00 -ATOM 5565 H2 H2O C1855 13.045 53.600 58.768 0.00 0.00 -ATOM 5566 O1 H2O C1856 29.357 30.115 2.517 0.00 0.00 -ATOM 5567 H1 H2O C1856 29.253 30.994 2.052 0.00 0.00 -ATOM 5568 H2 H2O C1856 30.213 29.685 2.230 0.00 0.00 -ATOM 5569 O1 H2O C1857 31.818 52.092 44.936 0.00 0.00 -ATOM 5570 H1 H2O C1857 31.451 51.348 44.376 0.00 0.00 -ATOM 5571 H2 H2O C1857 32.351 51.708 45.691 0.00 0.00 -ATOM 5572 O1 H2O C1858 20.610 15.283 0.462 0.00 0.00 -ATOM 5573 H1 H2O C1858 20.846 14.958 1.378 0.00 0.00 -ATOM 5574 H2 H2O C1858 20.176 16.181 0.529 0.00 0.00 -ATOM 5575 O1 H2O C1859 48.074 22.162 52.687 0.00 0.00 -ATOM 5576 H1 H2O C1859 47.817 22.131 51.721 0.00 0.00 -ATOM 5577 H2 H2O C1859 47.401 22.702 53.193 0.00 0.00 -ATOM 5578 O1 H2O C1860 52.004 44.621 15.380 0.00 0.00 -ATOM 5579 H1 H2O C1860 52.458 44.794 16.255 0.00 0.00 -ATOM 5580 H2 H2O C1860 51.925 45.479 14.871 0.00 0.00 -ATOM 5581 O1 H2O C1861 12.914 42.326 58.748 0.00 0.00 -ATOM 5582 H1 H2O C1861 12.627 41.646 58.072 0.00 0.00 -ATOM 5583 H2 H2O C1861 12.683 43.241 58.418 0.00 0.00 -ATOM 5584 O1 H2O C1862 54.539 13.058 53.016 0.00 0.00 -ATOM 5585 H1 H2O C1862 53.794 13.501 52.518 0.00 0.00 -ATOM 5586 H2 H2O C1862 55.185 12.660 52.365 0.00 0.00 -ATOM 5587 O1 H2O C1863 22.000 49.795 28.354 0.00 0.00 -ATOM 5588 H1 H2O C1863 21.395 49.984 27.580 0.00 0.00 -ATOM 5589 H2 H2O C1863 21.564 49.132 28.963 0.00 0.00 -ATOM 5590 O1 H2O C1864 31.492 54.395 38.288 0.00 0.00 -ATOM 5591 H1 H2O C1864 31.386 54.009 39.204 0.00 0.00 -ATOM 5592 H2 H2O C1864 31.813 55.339 38.359 0.00 0.00 -ATOM 5593 O1 H2O C1865 18.269 44.452 30.538 0.00 0.00 -ATOM 5594 H1 H2O C1865 18.585 43.865 31.284 0.00 0.00 -ATOM 5595 H2 H2O C1865 18.803 45.297 30.530 0.00 0.00 -ATOM 5596 O1 H2O C1866 21.792 54.370 15.600 0.00 0.00 -ATOM 5597 H1 H2O C1866 21.496 53.492 15.225 0.00 0.00 -ATOM 5598 H2 H2O C1866 21.392 54.496 16.508 0.00 0.00 -ATOM 5599 O1 H2O C1867 35.178 14.372 52.593 0.00 0.00 -ATOM 5600 H1 H2O C1867 35.910 14.688 53.197 0.00 0.00 -ATOM 5601 H2 H2O C1867 35.576 13.999 51.755 0.00 0.00 -ATOM 5602 O1 H2O C1868 28.754 17.755 41.648 0.00 0.00 -ATOM 5603 H1 H2O C1868 28.030 18.430 41.503 0.00 0.00 -ATOM 5604 H2 H2O C1868 29.010 17.744 42.615 0.00 0.00 -ATOM 5605 O1 H2O C1869 43.066 23.496 30.610 0.00 0.00 -ATOM 5606 H1 H2O C1869 43.548 23.965 31.351 0.00 0.00 -ATOM 5607 H2 H2O C1869 43.467 22.590 30.473 0.00 0.00 -ATOM 5608 O1 H2O C1870 34.623 12.031 13.844 0.00 0.00 -ATOM 5609 H1 H2O C1870 34.095 11.381 14.389 0.00 0.00 -ATOM 5610 H2 H2O C1870 34.010 12.528 13.230 0.00 0.00 -ATOM 5611 O1 H2O C1871 1.597 6.558 52.308 0.00 0.00 -ATOM 5612 H1 H2O C1871 1.209 6.854 53.181 0.00 0.00 -ATOM 5613 H2 H2O C1871 2.413 7.099 52.105 0.00 0.00 -ATOM 5614 O1 H2O C1872 6.154 14.392 44.039 0.00 0.00 -ATOM 5615 H1 H2O C1872 6.190 15.368 44.255 0.00 0.00 -ATOM 5616 H2 H2O C1872 6.331 14.259 43.064 0.00 0.00 -ATOM 5617 O1 H2O C1873 34.281 39.094 3.185 0.00 0.00 -ATOM 5618 H1 H2O C1873 34.115 38.364 2.521 0.00 0.00 -ATOM 5619 H2 H2O C1873 35.159 38.937 3.639 0.00 0.00 -ATOM 5620 O1 H2O C1874 42.013 36.102 45.344 0.00 0.00 -ATOM 5621 H1 H2O C1874 42.602 36.353 44.576 0.00 0.00 -ATOM 5622 H2 H2O C1874 41.080 35.958 45.015 0.00 0.00 -ATOM 5623 O1 H2O C1875 33.452 34.351 0.068 0.00 0.00 -ATOM 5624 H1 H2O C1875 34.380 34.355 -0.305 0.00 0.00 -ATOM 5625 H2 H2O C1875 33.177 35.288 0.285 0.00 0.00 -ATOM 5626 O1 H2O C1876 13.796 47.541 18.378 0.00 0.00 -ATOM 5627 H1 H2O C1876 12.898 47.977 18.322 0.00 0.00 -ATOM 5628 H2 H2O C1876 14.113 47.312 17.458 0.00 0.00 -ATOM 5629 O1 H2O C1877 28.297 30.644 0.747 0.00 0.00 -ATOM 5630 H1 H2O C1877 28.484 31.428 0.155 0.00 0.00 -ATOM 5631 H2 H2O C1877 29.046 29.986 0.674 0.00 0.00 -ATOM 5632 O1 H2O C1878 10.102 3.077 14.745 0.00 0.00 -ATOM 5633 H1 H2O C1878 10.122 2.446 13.969 0.00 0.00 -ATOM 5634 H2 H2O C1878 9.174 3.122 15.114 0.00 0.00 -ATOM 5635 O1 H2O C1879 37.175 52.475 35.487 0.00 0.00 -ATOM 5636 H1 H2O C1879 38.057 52.902 35.288 0.00 0.00 -ATOM 5637 H2 H2O C1879 36.686 53.019 36.169 0.00 0.00 -ATOM 5638 O1 H2O C1880 16.108 1.288 28.366 0.00 0.00 -ATOM 5639 H1 H2O C1880 15.139 1.070 28.481 0.00 0.00 -ATOM 5640 H2 H2O C1880 16.633 0.441 28.287 0.00 0.00 -ATOM 5641 O1 H2O C1881 42.571 36.957 8.099 0.00 0.00 -ATOM 5642 H1 H2O C1881 41.926 36.279 7.747 0.00 0.00 -ATOM 5643 H2 H2O C1881 42.655 37.708 7.444 0.00 0.00 -ATOM 5644 O1 H2O C1882 51.806 29.939 59.593 0.00 0.00 -ATOM 5645 H1 H2O C1882 52.634 29.524 59.216 0.00 0.00 -ATOM 5646 H2 H2O C1882 51.667 29.613 60.528 0.00 0.00 -ATOM 5647 O1 H2O C1883 32.343 13.015 45.487 0.00 0.00 -ATOM 5648 H1 H2O C1883 32.768 13.820 45.072 0.00 0.00 -ATOM 5649 H2 H2O C1883 32.941 12.223 45.368 0.00 0.00 -ATOM 5650 O1 H2O C1884 10.207 52.772 12.283 0.00 0.00 -ATOM 5651 H1 H2O C1884 10.933 53.086 12.895 0.00 0.00 -ATOM 5652 H2 H2O C1884 10.086 53.433 11.542 0.00 0.00 -ATOM 5653 O1 H2O C1885 43.070 8.748 12.771 0.00 0.00 -ATOM 5654 H1 H2O C1885 42.891 9.659 12.400 0.00 0.00 -ATOM 5655 H2 H2O C1885 43.920 8.391 12.384 0.00 0.00 -ATOM 5656 O1 H2O C1886 28.788 6.691 28.015 0.00 0.00 -ATOM 5657 H1 H2O C1886 27.992 7.129 28.435 0.00 0.00 -ATOM 5658 H2 H2O C1886 29.624 7.088 28.393 0.00 0.00 -ATOM 5659 O1 H2O C1887 11.943 26.595 12.437 0.00 0.00 -ATOM 5660 H1 H2O C1887 12.197 27.410 11.916 0.00 0.00 -ATOM 5661 H2 H2O C1887 12.296 26.672 13.369 0.00 0.00 -ATOM 5662 O1 H2O C1888 43.299 43.798 11.557 0.00 0.00 -ATOM 5663 H1 H2O C1888 42.967 43.366 10.719 0.00 0.00 -ATOM 5664 H2 H2O C1888 42.542 43.896 12.204 0.00 0.00 -ATOM 5665 O1 H2O C1889 10.577 34.186 24.507 0.00 0.00 -ATOM 5666 H1 H2O C1889 9.583 34.065 24.517 0.00 0.00 -ATOM 5667 H2 H2O C1889 10.812 35.041 24.971 0.00 0.00 -ATOM 5668 O1 H2O C1890 33.964 17.832 10.385 0.00 0.00 -ATOM 5669 H1 H2O C1890 33.697 17.979 9.433 0.00 0.00 -ATOM 5670 H2 H2O C1890 33.181 17.487 10.902 0.00 0.00 -ATOM 5671 O1 H2O C1891 27.485 35.456 56.114 0.00 0.00 -ATOM 5672 H1 H2O C1891 27.650 35.944 55.257 0.00 0.00 -ATOM 5673 H2 H2O C1891 27.839 35.996 56.878 0.00 0.00 -ATOM 5674 O1 H2O C1892 39.605 24.021 2.790 0.00 0.00 -ATOM 5675 H1 H2O C1892 38.898 23.494 3.264 0.00 0.00 -ATOM 5676 H2 H2O C1892 39.475 23.939 1.802 0.00 0.00 -ATOM 5677 O1 H2O C1893 20.413 34.564 9.805 0.00 0.00 -ATOM 5678 H1 H2O C1893 21.369 34.722 10.051 0.00 0.00 -ATOM 5679 H2 H2O C1893 19.940 34.126 10.569 0.00 0.00 -ATOM 5680 O1 H2O C1894 40.828 20.026 27.330 0.00 0.00 -ATOM 5681 H1 H2O C1894 39.960 19.605 27.594 0.00 0.00 -ATOM 5682 H2 H2O C1894 40.737 21.021 27.358 0.00 0.00 -ATOM 5683 O1 H2O C1895 45.790 9.254 56.928 0.00 0.00 -ATOM 5684 H1 H2O C1895 44.811 9.377 56.764 0.00 0.00 -ATOM 5685 H2 H2O C1895 46.303 9.941 56.413 0.00 0.00 -ATOM 5686 O1 H2O C1896 12.588 52.302 3.743 0.00 0.00 -ATOM 5687 H1 H2O C1896 12.918 51.516 3.220 0.00 0.00 -ATOM 5688 H2 H2O C1896 13.044 52.325 4.633 0.00 0.00 -ATOM 5689 O1 H2O C1897 33.842 16.061 44.672 0.00 0.00 -ATOM 5690 H1 H2O C1897 34.031 16.787 45.334 0.00 0.00 -ATOM 5691 H2 H2O C1897 32.921 15.703 44.824 0.00 0.00 -ATOM 5692 O1 H2O C1898 53.303 5.900 16.461 0.00 0.00 -ATOM 5693 H1 H2O C1898 52.360 5.855 16.790 0.00 0.00 -ATOM 5694 H2 H2O C1898 53.410 5.294 15.672 0.00 0.00 -ATOM 5695 O1 H2O C1899 25.509 17.866 37.820 0.00 0.00 -ATOM 5696 H1 H2O C1899 25.318 17.680 38.783 0.00 0.00 -ATOM 5697 H2 H2O C1899 25.200 18.790 37.591 0.00 0.00 -ATOM 5698 O1 H2O C1900 58.597 59.920 18.978 0.00 0.00 -ATOM 5699 H1 H2O C1900 58.394 59.085 18.465 0.00 0.00 -ATOM 5700 H2 H2O C1900 59.528 59.869 19.340 0.00 0.00 -ATOM 5701 O1 H2O C1901 47.456 29.649 55.431 0.00 0.00 -ATOM 5702 H1 H2O C1901 47.085 30.223 56.160 0.00 0.00 -ATOM 5703 H2 H2O C1901 47.591 30.201 54.608 0.00 0.00 -ATOM 5704 O1 H2O C1902 48.846 30.661 47.499 0.00 0.00 -ATOM 5705 H1 H2O C1902 47.940 31.032 47.703 0.00 0.00 -ATOM 5706 H2 H2O C1902 49.021 30.731 46.517 0.00 0.00 -ATOM 5707 O1 H2O C1903 30.703 57.957 16.297 0.00 0.00 -ATOM 5708 H1 H2O C1903 31.241 58.185 17.108 0.00 0.00 -ATOM 5709 H2 H2O C1903 29.921 58.576 16.231 0.00 0.00 -ATOM 5710 O1 H2O C1904 30.676 37.742 28.526 0.00 0.00 -ATOM 5711 H1 H2O C1904 30.448 37.348 27.635 0.00 0.00 -ATOM 5712 H2 H2O C1904 31.461 37.259 28.913 0.00 0.00 -ATOM 5713 O1 H2O C1905 24.999 11.508 10.644 0.00 0.00 -ATOM 5714 H1 H2O C1905 25.095 11.595 9.653 0.00 0.00 -ATOM 5715 H2 H2O C1905 25.878 11.244 11.042 0.00 0.00 -ATOM 5716 O1 H2O C1906 34.518 5.176 45.676 0.00 0.00 -ATOM 5717 H1 H2O C1906 34.595 5.239 44.681 0.00 0.00 -ATOM 5718 H2 H2O C1906 35.416 4.982 46.069 0.00 0.00 -ATOM 5719 O1 H2O C1907 21.117 19.715 46.488 0.00 0.00 -ATOM 5720 H1 H2O C1907 20.270 19.284 46.179 0.00 0.00 -ATOM 5721 H2 H2O C1907 21.776 19.731 45.737 0.00 0.00 -ATOM 5722 O1 H2O C1908 39.419 27.420 29.014 0.00 0.00 -ATOM 5723 H1 H2O C1908 39.174 28.383 28.903 0.00 0.00 -ATOM 5724 H2 H2O C1908 40.154 27.188 28.377 0.00 0.00 -ATOM 5725 O1 H2O C1909 55.760 52.675 2.562 0.00 0.00 -ATOM 5726 H1 H2O C1909 56.425 52.469 3.280 0.00 0.00 -ATOM 5727 H2 H2O C1909 55.506 51.829 2.091 0.00 0.00 -ATOM 5728 O1 H2O C1910 18.163 10.376 57.795 0.00 0.00 -ATOM 5729 H1 H2O C1910 17.623 9.535 57.848 0.00 0.00 -ATOM 5730 H2 H2O C1910 18.325 10.607 56.835 0.00 0.00 -ATOM 5731 O1 H2O C1911 53.847 3.358 3.818 0.00 0.00 -ATOM 5732 H1 H2O C1911 54.739 3.266 3.376 0.00 0.00 -ATOM 5733 H2 H2O C1911 53.129 3.076 3.182 0.00 0.00 -ATOM 5734 O1 H2O C1912 50.237 38.961 54.604 0.00 0.00 -ATOM 5735 H1 H2O C1912 49.256 38.781 54.687 0.00 0.00 -ATOM 5736 H2 H2O C1912 50.408 39.503 53.782 0.00 0.00 -ATOM 5737 O1 H2O C1913 12.620 50.808 39.491 0.00 0.00 -ATOM 5738 H1 H2O C1913 12.377 51.747 39.246 0.00 0.00 -ATOM 5739 H2 H2O C1913 12.826 50.762 40.469 0.00 0.00 -ATOM 5740 O1 H2O C1914 52.659 16.047 44.754 0.00 0.00 -ATOM 5741 H1 H2O C1914 52.972 16.568 43.960 0.00 0.00 -ATOM 5742 H2 H2O C1914 51.755 15.664 44.565 0.00 0.00 -ATOM 5743 O1 H2O C1915 41.268 9.245 12.133 0.00 0.00 -ATOM 5744 H1 H2O C1915 41.843 8.583 12.615 0.00 0.00 -ATOM 5745 H2 H2O C1915 41.024 8.880 11.234 0.00 0.00 -ATOM 5746 O1 H2O C1916 12.012 55.592 17.958 0.00 0.00 -ATOM 5747 H1 H2O C1916 12.153 56.434 17.436 0.00 0.00 -ATOM 5748 H2 H2O C1916 12.590 54.867 17.581 0.00 0.00 -ATOM 5749 O1 H2O C1917 26.815 12.117 10.336 0.00 0.00 -ATOM 5750 H1 H2O C1917 27.243 12.681 9.629 0.00 0.00 -ATOM 5751 H2 H2O C1917 26.008 12.587 10.694 0.00 0.00 -ATOM 5752 O1 H2O C1918 12.649 22.857 47.887 0.00 0.00 -ATOM 5753 H1 H2O C1918 12.037 23.592 48.177 0.00 0.00 -ATOM 5754 H2 H2O C1918 13.546 23.239 47.663 0.00 0.00 -ATOM 5755 O1 H2O C1919 21.788 16.361 53.265 0.00 0.00 -ATOM 5756 H1 H2O C1919 20.887 15.928 53.297 0.00 0.00 -ATOM 5757 H2 H2O C1919 21.739 17.265 53.690 0.00 0.00 -ATOM 5758 O1 H2O C1920 52.889 18.180 58.821 0.00 0.00 -ATOM 5759 H1 H2O C1920 52.314 17.829 58.082 0.00 0.00 -ATOM 5760 H2 H2O C1920 52.700 17.671 59.661 0.00 0.00 -ATOM 5761 O1 H2O C1921 2.635 20.259 39.928 0.00 0.00 -ATOM 5762 H1 H2O C1921 1.673 20.495 39.791 0.00 0.00 -ATOM 5763 H2 H2O C1921 3.141 21.074 40.212 0.00 0.00 -ATOM 5764 O1 H2O C1922 1.382 28.276 11.455 0.00 0.00 -ATOM 5765 H1 H2O C1922 0.409 28.491 11.374 0.00 0.00 -ATOM 5766 H2 H2O C1922 1.804 28.294 10.549 0.00 0.00 -ATOM 5767 O1 H2O C1923 9.426 59.377 43.803 0.00 0.00 -ATOM 5768 H1 H2O C1923 8.442 59.275 43.655 0.00 0.00 -ATOM 5769 H2 H2O C1923 9.645 59.158 44.754 0.00 0.00 -ATOM 5770 O1 H2O C1924 10.727 25.042 45.548 0.00 0.00 -ATOM 5771 H1 H2O C1924 11.595 25.454 45.823 0.00 0.00 -ATOM 5772 H2 H2O C1924 10.646 24.131 45.953 0.00 0.00 -ATOM 5773 O1 H2O C1925 30.422 47.939 16.596 0.00 0.00 -ATOM 5774 H1 H2O C1925 31.278 48.139 17.074 0.00 0.00 -ATOM 5775 H2 H2O C1925 30.458 48.323 15.674 0.00 0.00 -ATOM 5776 O1 H2O C1926 24.861 3.409 26.525 0.00 0.00 -ATOM 5777 H1 H2O C1926 25.449 3.487 27.330 0.00 0.00 -ATOM 5778 H2 H2O C1926 23.906 3.347 26.815 0.00 0.00 -ATOM 5779 O1 H2O C1927 47.328 40.506 54.043 0.00 0.00 -ATOM 5780 H1 H2O C1927 46.671 39.943 53.542 0.00 0.00 -ATOM 5781 H2 H2O C1927 48.242 40.376 53.658 0.00 0.00 -ATOM 5782 O1 H2O C1928 17.891 33.958 35.133 0.00 0.00 -ATOM 5783 H1 H2O C1928 17.992 33.218 35.798 0.00 0.00 -ATOM 5784 H2 H2O C1928 18.686 33.972 34.527 0.00 0.00 -ATOM 5785 O1 H2O C1929 37.056 25.857 22.462 0.00 0.00 -ATOM 5786 H1 H2O C1929 37.328 24.897 22.530 0.00 0.00 -ATOM 5787 H2 H2O C1929 36.772 26.056 21.523 0.00 0.00 -ATOM 5788 O1 H2O C1930 32.782 30.107 22.717 0.00 0.00 -ATOM 5789 H1 H2O C1930 33.618 29.581 22.878 0.00 0.00 -ATOM 5790 H2 H2O C1930 32.375 29.826 21.848 0.00 0.00 -ATOM 5791 O1 H2O C1931 58.773 49.711 31.823 0.00 0.00 -ATOM 5792 H1 H2O C1931 58.749 50.092 32.747 0.00 0.00 -ATOM 5793 H2 H2O C1931 58.638 48.722 31.867 0.00 0.00 -ATOM 5794 O1 H2O C1932 53.509 44.042 26.326 0.00 0.00 -ATOM 5795 H1 H2O C1932 53.654 43.875 27.302 0.00 0.00 -ATOM 5796 H2 H2O C1932 53.151 44.966 26.195 0.00 0.00 -ATOM 5797 O1 H2O C1933 11.306 29.515 45.430 0.00 0.00 -ATOM 5798 H1 H2O C1933 11.649 29.869 46.300 0.00 0.00 -ATOM 5799 H2 H2O C1933 10.308 29.468 45.459 0.00 0.00 -ATOM 5800 O1 H2O C1934 52.672 28.987 58.027 0.00 0.00 -ATOM 5801 H1 H2O C1934 53.460 28.632 58.531 0.00 0.00 -ATOM 5802 H2 H2O C1934 51.883 28.391 58.180 0.00 0.00 -ATOM 5803 O1 H2O C1935 16.349 33.770 -0.068 0.00 0.00 -ATOM 5804 H1 H2O C1935 16.570 32.988 -0.651 0.00 0.00 -ATOM 5805 H2 H2O C1935 16.169 33.452 0.863 0.00 0.00 -ATOM 5806 O1 H2O C1936 42.313 23.550 3.490 0.00 0.00 -ATOM 5807 H1 H2O C1936 42.283 22.998 2.657 0.00 0.00 -ATOM 5808 H2 H2O C1936 42.721 24.440 3.286 0.00 0.00 -ATOM 5809 O1 H2O C1937 33.519 46.218 48.001 0.00 0.00 -ATOM 5810 H1 H2O C1937 32.704 46.373 47.443 0.00 0.00 -ATOM 5811 H2 H2O C1937 33.999 45.405 47.671 0.00 0.00 -ATOM 5812 O1 H2O C1938 36.188 33.586 35.317 0.00 0.00 -ATOM 5813 H1 H2O C1938 36.109 33.323 34.356 0.00 0.00 -ATOM 5814 H2 H2O C1938 35.782 34.490 35.450 0.00 0.00 -ATOM 5815 O1 H2O C1939 28.226 11.488 21.162 0.00 0.00 -ATOM 5816 H1 H2O C1939 27.727 10.819 21.713 0.00 0.00 -ATOM 5817 H2 H2O C1939 27.833 11.522 20.243 0.00 0.00 -ATOM 5818 O1 H2O C1940 0.904 5.207 26.178 0.00 0.00 -ATOM 5819 H1 H2O C1940 -0.004 4.835 25.986 0.00 0.00 -ATOM 5820 H2 H2O C1940 1.602 4.560 25.869 0.00 0.00 -ATOM 5821 O1 H2O C1941 19.463 3.519 21.009 0.00 0.00 -ATOM 5822 H1 H2O C1941 19.435 4.080 21.836 0.00 0.00 -ATOM 5823 H2 H2O C1941 19.575 2.558 21.261 0.00 0.00 -ATOM 5824 O1 H2O C1942 21.684 9.966 50.491 0.00 0.00 -ATOM 5825 H1 H2O C1942 22.392 9.911 51.195 0.00 0.00 -ATOM 5826 H2 H2O C1942 21.611 10.908 50.165 0.00 0.00 -ATOM 5827 O1 H2O C1943 52.417 53.211 37.253 0.00 0.00 -ATOM 5828 H1 H2O C1943 53.045 53.979 37.375 0.00 0.00 -ATOM 5829 H2 H2O C1943 52.773 52.410 37.734 0.00 0.00 -ATOM 5830 O1 H2O C1944 55.438 11.574 23.682 0.00 0.00 -ATOM 5831 H1 H2O C1944 55.656 11.655 24.654 0.00 0.00 -ATOM 5832 H2 H2O C1944 55.114 10.648 23.488 0.00 0.00 -ATOM 5833 O1 H2O C1945 9.334 39.195 34.596 0.00 0.00 -ATOM 5834 H1 H2O C1945 8.860 39.205 33.715 0.00 0.00 -ATOM 5835 H2 H2O C1945 8.799 38.668 35.256 0.00 0.00 -ATOM 5836 O1 H2O C1946 18.147 48.743 18.404 0.00 0.00 -ATOM 5837 H1 H2O C1946 17.197 48.505 18.605 0.00 0.00 -ATOM 5838 H2 H2O C1946 18.582 47.989 17.913 0.00 0.00 -ATOM 5839 O1 H2O C1947 4.288 7.988 33.167 0.00 0.00 -ATOM 5840 H1 H2O C1947 4.363 7.582 32.256 0.00 0.00 -ATOM 5841 H2 H2O C1947 5.083 8.569 33.339 0.00 0.00 -ATOM 5842 O1 H2O C1948 57.588 33.057 13.068 0.00 0.00 -ATOM 5843 H1 H2O C1948 57.134 32.883 13.941 0.00 0.00 -ATOM 5844 H2 H2O C1948 57.041 33.698 12.529 0.00 0.00 -ATOM 5845 O1 H2O C1949 1.990 15.718 0.775 0.00 0.00 -ATOM 5846 H1 H2O C1949 2.060 15.398 -0.170 0.00 0.00 -ATOM 5847 H2 H2O C1949 2.369 15.027 1.390 0.00 0.00 -ATOM 5848 O1 H2O C1950 23.402 48.306 24.787 0.00 0.00 -ATOM 5849 H1 H2O C1950 23.035 49.021 24.192 0.00 0.00 -ATOM 5850 H2 H2O C1950 22.667 47.936 25.355 0.00 0.00 -ATOM 5851 O1 H2O C1951 18.247 26.362 41.311 0.00 0.00 -ATOM 5852 H1 H2O C1951 17.617 25.595 41.440 0.00 0.00 -ATOM 5853 H2 H2O C1951 18.896 26.391 42.071 0.00 0.00 -ATOM 5854 O1 H2O C1952 -0.094 44.536 57.021 0.00 0.00 -ATOM 5855 H1 H2O C1952 0.710 44.458 57.610 0.00 0.00 -ATOM 5856 H2 H2O C1952 0.056 45.260 56.347 0.00 0.00 -ATOM 5857 O1 H2O C1953 45.218 55.819 26.293 0.00 0.00 -ATOM 5858 H1 H2O C1953 45.329 55.085 26.964 0.00 0.00 -ATOM 5859 H2 H2O C1953 45.297 55.441 25.370 0.00 0.00 -ATOM 5860 O1 H2O C1954 33.194 47.568 44.880 0.00 0.00 -ATOM 5861 H1 H2O C1954 33.243 48.211 44.115 0.00 0.00 -ATOM 5862 H2 H2O C1954 34.103 47.455 45.279 0.00 0.00 -ATOM 5863 O1 H2O C1955 0.396 32.057 57.760 0.00 0.00 -ATOM 5864 H1 H2O C1955 1.032 31.472 57.257 0.00 0.00 -ATOM 5865 H2 H2O C1955 0.054 31.565 58.562 0.00 0.00 -ATOM 5866 O1 H2O C1956 39.680 17.933 18.221 0.00 0.00 -ATOM 5867 H1 H2O C1956 40.108 17.754 19.107 0.00 0.00 -ATOM 5868 H2 H2O C1956 38.781 18.347 18.363 0.00 0.00 -ATOM 5869 O1 H2O C1957 51.066 25.492 31.112 0.00 0.00 -ATOM 5870 H1 H2O C1957 51.850 25.579 31.727 0.00 0.00 -ATOM 5871 H2 H2O C1957 50.816 26.395 30.763 0.00 0.00 -ATOM 5872 O1 H2O C1958 -0.001 33.555 39.341 0.00 0.00 -ATOM 5873 H1 H2O C1958 0.345 32.664 39.046 0.00 0.00 -ATOM 5874 H2 H2O C1958 0.728 34.236 39.268 0.00 0.00 -ATOM 5875 O1 H2O C1959 5.214 10.769 37.724 0.00 0.00 -ATOM 5876 H1 H2O C1959 5.696 10.837 36.850 0.00 0.00 -ATOM 5877 H2 H2O C1959 5.879 10.699 38.467 0.00 0.00 -ATOM 5878 O1 H2O C1960 39.681 1.502 53.126 0.00 0.00 -ATOM 5879 H1 H2O C1960 39.409 1.610 52.169 0.00 0.00 -ATOM 5880 H2 H2O C1960 39.116 2.092 53.702 0.00 0.00 -ATOM 5881 O1 H2O C1961 7.993 39.106 53.215 0.00 0.00 -ATOM 5882 H1 H2O C1961 8.537 39.925 53.400 0.00 0.00 -ATOM 5883 H2 H2O C1961 8.370 38.334 53.727 0.00 0.00 -ATOM 5884 O1 H2O C1962 54.500 9.898 50.023 0.00 0.00 -ATOM 5885 H1 H2O C1962 53.808 10.548 49.709 0.00 0.00 -ATOM 5886 H2 H2O C1962 55.406 10.314 49.954 0.00 0.00 -ATOM 5887 O1 H2O C1963 4.704 7.686 18.753 0.00 0.00 -ATOM 5888 H1 H2O C1963 4.675 8.378 18.031 0.00 0.00 -ATOM 5889 H2 H2O C1963 3.954 7.038 18.623 0.00 0.00 -ATOM 5890 O1 H2O C1964 51.541 11.410 10.982 0.00 0.00 -ATOM 5891 H1 H2O C1964 51.485 11.227 11.963 0.00 0.00 -ATOM 5892 H2 H2O C1964 51.422 12.390 10.818 0.00 0.00 -ATOM 5893 O1 H2O C1965 4.554 51.909 51.451 0.00 0.00 -ATOM 5894 H1 H2O C1965 3.641 51.533 51.612 0.00 0.00 -ATOM 5895 H2 H2O C1965 5.210 51.460 52.058 0.00 0.00 -ATOM 5896 O1 H2O C1966 36.409 37.126 40.167 0.00 0.00 -ATOM 5897 H1 H2O C1966 36.258 36.299 39.624 0.00 0.00 -ATOM 5898 H2 H2O C1966 36.827 36.878 41.041 0.00 0.00 -ATOM 5899 O1 H2O C1967 47.456 24.168 36.778 0.00 0.00 -ATOM 5900 H1 H2O C1967 48.355 23.784 36.987 0.00 0.00 -ATOM 5901 H2 H2O C1967 47.047 23.662 36.018 0.00 0.00 -ATOM 5902 O1 H2O C1968 24.144 7.493 43.555 0.00 0.00 -ATOM 5903 H1 H2O C1968 25.064 7.884 43.565 0.00 0.00 -ATOM 5904 H2 H2O C1968 24.122 6.709 42.935 0.00 0.00 -ATOM 5905 O1 H2O C1969 36.485 21.650 20.896 0.00 0.00 -ATOM 5906 H1 H2O C1969 36.226 21.180 20.053 0.00 0.00 -ATOM 5907 H2 H2O C1969 37.468 21.833 20.888 0.00 0.00 -ATOM 5908 O1 H2O C1970 57.664 23.311 11.539 0.00 0.00 -ATOM 5909 H1 H2O C1970 56.703 23.423 11.286 0.00 0.00 -ATOM 5910 H2 H2O C1970 57.822 23.720 12.438 0.00 0.00 -ATOM 5911 O1 H2O C1971 0.917 33.028 16.856 0.00 0.00 -ATOM 5912 H1 H2O C1971 0.402 33.643 17.453 0.00 0.00 -ATOM 5913 H2 H2O C1971 0.282 32.513 16.280 0.00 0.00 -ATOM 5914 O1 H2O C1972 24.298 5.551 45.104 0.00 0.00 -ATOM 5915 H1 H2O C1972 23.450 5.108 44.812 0.00 0.00 -ATOM 5916 H2 H2O C1972 24.247 6.530 44.908 0.00 0.00 -ATOM 5917 O1 H2O C1973 19.885 6.921 11.243 0.00 0.00 -ATOM 5918 H1 H2O C1973 19.794 6.560 10.315 0.00 0.00 -ATOM 5919 H2 H2O C1973 20.835 7.187 11.407 0.00 0.00 -ATOM 5920 O1 H2O C1974 28.536 26.559 35.837 0.00 0.00 -ATOM 5921 H1 H2O C1974 27.904 25.862 36.175 0.00 0.00 -ATOM 5922 H2 H2O C1974 28.873 26.293 34.934 0.00 0.00 -ATOM 5923 O1 H2O C1975 37.121 41.738 42.255 0.00 0.00 -ATOM 5924 H1 H2O C1975 37.865 41.071 42.288 0.00 0.00 -ATOM 5925 H2 H2O C1975 37.295 42.396 41.523 0.00 0.00 -ATOM 5926 O1 H2O C1976 59.653 23.559 27.141 0.00 0.00 -ATOM 5927 H1 H2O C1976 59.852 22.891 26.423 0.00 0.00 -ATOM 5928 H2 H2O C1976 60.094 24.429 26.918 0.00 0.00 -ATOM 5929 O1 H2O C1977 9.214 53.756 16.749 0.00 0.00 -ATOM 5930 H1 H2O C1977 9.757 53.631 15.918 0.00 0.00 -ATOM 5931 H2 H2O C1977 8.276 53.998 16.501 0.00 0.00 -ATOM 5932 O1 H2O C1978 36.982 18.042 25.887 0.00 0.00 -ATOM 5933 H1 H2O C1978 36.540 17.147 25.945 0.00 0.00 -ATOM 5934 H2 H2O C1978 37.802 17.973 25.318 0.00 0.00 -ATOM 5935 O1 H2O C1979 33.473 24.147 41.803 0.00 0.00 -ATOM 5936 H1 H2O C1979 33.820 24.371 42.714 0.00 0.00 -ATOM 5937 H2 H2O C1979 33.993 23.380 41.428 0.00 0.00 -ATOM 5938 O1 H2O C1980 16.668 1.240 51.724 0.00 0.00 -ATOM 5939 H1 H2O C1980 15.850 1.410 52.274 0.00 0.00 -ATOM 5940 H2 H2O C1980 17.041 2.111 51.404 0.00 0.00 -ATOM 5941 O1 H2O C1981 2.112 51.219 45.645 0.00 0.00 -ATOM 5942 H1 H2O C1981 1.298 50.643 45.724 0.00 0.00 -ATOM 5943 H2 H2O C1981 2.930 50.660 45.778 0.00 0.00 -ATOM 5944 O1 H2O C1982 59.065 32.285 49.418 0.00 0.00 -ATOM 5945 H1 H2O C1982 59.861 32.044 48.862 0.00 0.00 -ATOM 5946 H2 H2O C1982 58.837 33.248 49.273 0.00 0.00 -ATOM 5947 O1 H2O C1983 34.395 4.604 13.163 0.00 0.00 -ATOM 5948 H1 H2O C1983 35.362 4.586 12.906 0.00 0.00 -ATOM 5949 H2 H2O C1983 33.905 3.891 12.662 0.00 0.00 -ATOM 5950 O1 H2O C1984 19.454 39.795 31.357 0.00 0.00 -ATOM 5951 H1 H2O C1984 19.923 39.304 32.091 0.00 0.00 -ATOM 5952 H2 H2O C1984 19.245 40.725 31.659 0.00 0.00 -ATOM 5953 O1 H2O C1985 33.478 14.639 30.416 0.00 0.00 -ATOM 5954 H1 H2O C1985 33.028 13.868 30.868 0.00 0.00 -ATOM 5955 H2 H2O C1985 32.798 15.177 29.918 0.00 0.00 -ATOM 5956 O1 H2O C1986 5.541 20.920 4.874 0.00 0.00 -ATOM 5957 H1 H2O C1986 5.731 21.276 3.960 0.00 0.00 -ATOM 5958 H2 H2O C1986 6.190 20.190 5.090 0.00 0.00 -ATOM 5959 O1 H2O C1987 50.330 44.579 19.528 0.00 0.00 -ATOM 5960 H1 H2O C1987 50.977 43.823 19.428 0.00 0.00 -ATOM 5961 H2 H2O C1987 50.609 45.157 20.295 0.00 0.00 -ATOM 5962 O1 H2O C1988 55.480 37.222 9.052 0.00 0.00 -ATOM 5963 H1 H2O C1988 55.244 37.874 9.772 0.00 0.00 -ATOM 5964 H2 H2O C1988 54.698 36.626 8.872 0.00 0.00 -ATOM 5965 O1 H2O C1989 56.652 22.822 12.626 0.00 0.00 -ATOM 5966 H1 H2O C1989 56.084 22.475 11.879 0.00 0.00 -ATOM 5967 H2 H2O C1989 56.376 23.758 12.846 0.00 0.00 -ATOM 5968 O1 H2O C1990 44.773 23.073 1.668 0.00 0.00 -ATOM 5969 H1 H2O C1990 44.149 23.787 1.351 0.00 0.00 -ATOM 5970 H2 H2O C1990 44.905 23.160 2.656 0.00 0.00 -ATOM 5971 O1 H2O C1991 49.809 25.979 1.717 0.00 0.00 -ATOM 5972 H1 H2O C1991 50.296 25.755 0.872 0.00 0.00 -ATOM 5973 H2 H2O C1991 49.718 26.973 1.795 0.00 0.00 -ATOM 5974 O1 H2O C1992 25.457 9.605 6.699 0.00 0.00 -ATOM 5975 H1 H2O C1992 24.613 9.073 6.773 0.00 0.00 -ATOM 5976 H2 H2O C1992 25.620 10.092 7.557 0.00 0.00 -ATOM 5977 O1 H2O C1993 22.725 50.209 25.997 0.00 0.00 -ATOM 5978 H1 H2O C1993 22.795 49.277 26.353 0.00 0.00 -ATOM 5979 H2 H2O C1993 21.763 50.443 25.860 0.00 0.00 -ATOM 5980 O1 H2O C1994 35.349 28.947 6.441 0.00 0.00 -ATOM 5981 H1 H2O C1994 35.550 29.735 7.023 0.00 0.00 -ATOM 5982 H2 H2O C1994 35.387 28.110 6.988 0.00 0.00 -ATOM 5983 O1 H2O C1995 11.673 15.011 43.763 0.00 0.00 -ATOM 5984 H1 H2O C1995 11.193 15.841 43.477 0.00 0.00 -ATOM 5985 H2 H2O C1995 11.739 14.381 42.989 0.00 0.00 -ATOM 5986 O1 H2O C1996 45.450 18.679 29.184 0.00 0.00 -ATOM 5987 H1 H2O C1996 44.524 18.873 28.861 0.00 0.00 -ATOM 5988 H2 H2O C1996 45.468 18.711 30.183 0.00 0.00 -ATOM 5989 O1 H2O C1997 47.372 18.324 7.467 0.00 0.00 -ATOM 5990 H1 H2O C1997 47.890 17.957 6.694 0.00 0.00 -ATOM 5991 H2 H2O C1997 47.203 19.299 7.322 0.00 0.00 -ATOM 5992 O1 H2O C1998 6.443 43.456 18.670 0.00 0.00 -ATOM 5993 H1 H2O C1998 7.192 43.632 18.032 0.00 0.00 -ATOM 5994 H2 H2O C1998 5.758 42.875 18.229 0.00 0.00 -ATOM 5995 O1 H2O C1999 26.123 4.555 7.674 0.00 0.00 -ATOM 5996 H1 H2O C1999 25.251 4.970 7.414 0.00 0.00 -ATOM 5997 H2 H2O C1999 26.476 5.008 8.492 0.00 0.00 -ATOM 5998 O1 H2O C2000 7.286 17.981 32.222 0.00 0.00 -ATOM 5999 H1 H2O C2000 7.219 18.572 33.026 0.00 0.00 -ATOM 6000 H2 H2O C2000 8.246 17.893 31.953 0.00 0.00 -ATOM 6001 O1 H2O C2001 59.918 46.505 39.913 0.00 0.00 -ATOM 6002 H1 H2O C2001 59.857 47.503 39.915 0.00 0.00 -ATOM 6003 H2 H2O C2001 59.003 46.115 40.019 0.00 0.00 -ATOM 6004 O1 H2O C2002 29.811 29.012 24.714 0.00 0.00 -ATOM 6005 H1 H2O C2002 29.957 28.772 25.673 0.00 0.00 -ATOM 6006 H2 H2O C2002 29.257 29.843 24.659 0.00 0.00 -ATOM 6007 O1 H2O C2003 15.855 39.348 56.342 0.00 0.00 -ATOM 6008 H1 H2O C2003 15.176 39.643 57.014 0.00 0.00 -ATOM 6009 H2 H2O C2003 16.761 39.336 56.766 0.00 0.00 -ATOM 6010 O1 H2O C2004 47.533 49.300 58.709 0.00 0.00 -ATOM 6011 H1 H2O C2004 48.434 49.735 58.713 0.00 0.00 -ATOM 6012 H2 H2O C2004 47.162 49.294 59.638 0.00 0.00 -ATOM 6013 O1 H2O C2005 4.947 5.328 36.964 0.00 0.00 -ATOM 6014 H1 H2O C2005 4.814 6.163 36.430 0.00 0.00 -ATOM 6015 H2 H2O C2005 4.942 5.552 37.939 0.00 0.00 -ATOM 6016 O1 H2O C2006 53.623 20.542 21.895 0.00 0.00 -ATOM 6017 H1 H2O C2006 52.757 21.016 22.057 0.00 0.00 -ATOM 6018 H2 H2O C2006 54.126 20.465 22.756 0.00 0.00 -ATOM 6019 O1 H2O C2007 54.914 27.533 39.813 0.00 0.00 -ATOM 6020 H1 H2O C2007 53.961 27.709 39.563 0.00 0.00 -ATOM 6021 H2 H2O C2007 55.116 27.974 40.687 0.00 0.00 -ATOM 6022 O1 H2O C2008 7.083 4.719 17.889 0.00 0.00 -ATOM 6023 H1 H2O C2008 7.797 4.556 18.571 0.00 0.00 -ATOM 6024 H2 H2O C2008 7.137 5.666 17.571 0.00 0.00 -ATOM 6025 O1 H2O C2009 16.734 52.255 39.330 0.00 0.00 -ATOM 6026 H1 H2O C2009 16.961 52.859 38.567 0.00 0.00 -ATOM 6027 H2 H2O C2009 16.889 52.736 40.193 0.00 0.00 -ATOM 6028 O1 H2O C2010 22.424 8.101 5.147 0.00 0.00 -ATOM 6029 H1 H2O C2010 22.924 8.655 4.481 0.00 0.00 -ATOM 6030 H2 H2O C2010 23.062 7.739 5.826 0.00 0.00 -ATOM 6031 O1 H2O C2011 3.435 33.334 14.615 0.00 0.00 -ATOM 6032 H1 H2O C2011 2.636 33.036 15.137 0.00 0.00 -ATOM 6033 H2 H2O C2011 4.004 32.542 14.394 0.00 0.00 -ATOM 6034 O1 H2O C2012 41.407 57.189 52.850 0.00 0.00 -ATOM 6035 H1 H2O C2012 41.731 57.006 53.779 0.00 0.00 -ATOM 6036 H2 H2O C2012 40.823 58.001 52.855 0.00 0.00 -ATOM 6037 O1 H2O C2013 51.306 17.556 23.290 0.00 0.00 -ATOM 6038 H1 H2O C2013 52.166 17.273 23.714 0.00 0.00 -ATOM 6039 H2 H2O C2013 51.049 16.896 22.584 0.00 0.00 -ATOM 6040 O1 H2O C2014 29.939 50.322 23.039 0.00 0.00 -ATOM 6041 H1 H2O C2014 29.792 50.035 22.093 0.00 0.00 -ATOM 6042 H2 H2O C2014 30.881 50.121 23.306 0.00 0.00 -ATOM 6043 O1 H2O C2015 25.056 36.135 11.797 0.00 0.00 -ATOM 6044 H1 H2O C2015 25.138 36.924 12.406 0.00 0.00 -ATOM 6045 H2 H2O C2015 25.713 36.223 11.047 0.00 0.00 -ATOM 6046 O1 H2O C2016 40.850 39.750 30.830 0.00 0.00 -ATOM 6047 H1 H2O C2016 41.081 39.716 31.802 0.00 0.00 -ATOM 6048 H2 H2O C2016 39.870 39.587 30.714 0.00 0.00 -ATOM 6049 O1 H2O C2017 19.003 1.535 48.947 0.00 0.00 -ATOM 6050 H1 H2O C2017 18.697 2.235 49.592 0.00 0.00 -ATOM 6051 H2 H2O C2017 18.262 1.321 48.310 0.00 0.00 -ATOM 6052 O1 H2O C2018 29.077 10.387 15.801 0.00 0.00 -ATOM 6053 H1 H2O C2018 28.976 10.299 14.810 0.00 0.00 -ATOM 6054 H2 H2O C2018 28.976 9.488 16.228 0.00 0.00 -ATOM 6055 O1 H2O C2019 18.674 59.138 10.978 0.00 0.00 -ATOM 6056 H1 H2O C2019 19.093 58.330 10.565 0.00 0.00 -ATOM 6057 H2 H2O C2019 19.244 59.939 10.798 0.00 0.00 -ATOM 6058 O1 H2O C2020 13.608 4.264 4.756 0.00 0.00 -ATOM 6059 H1 H2O C2020 14.140 4.717 5.472 0.00 0.00 -ATOM 6060 H2 H2O C2020 12.733 4.736 4.643 0.00 0.00 -ATOM 6061 O1 H2O C2021 55.047 41.061 8.521 0.00 0.00 -ATOM 6062 H1 H2O C2021 55.250 41.614 7.713 0.00 0.00 -ATOM 6063 H2 H2O C2021 54.493 41.596 9.160 0.00 0.00 -ATOM 6064 O1 H2O C2022 45.882 14.470 2.412 0.00 0.00 -ATOM 6065 H1 H2O C2022 45.666 13.496 2.342 0.00 0.00 -ATOM 6066 H2 H2O C2022 45.852 14.884 1.502 0.00 0.00 -ATOM 6067 O1 H2O C2023 1.344 22.229 57.560 0.00 0.00 -ATOM 6068 H1 H2O C2023 1.527 22.580 56.641 0.00 0.00 -ATOM 6069 H2 H2O C2023 1.820 21.359 57.685 0.00 0.00 -ATOM 6070 O1 H2O C2024 9.364 33.604 36.607 0.00 0.00 -ATOM 6071 H1 H2O C2024 8.930 33.464 35.717 0.00 0.00 -ATOM 6072 H2 H2O C2024 9.964 32.831 36.811 0.00 0.00 -ATOM 6073 O1 H2O C2025 57.428 44.846 48.219 0.00 0.00 -ATOM 6074 H1 H2O C2025 57.688 45.680 47.731 0.00 0.00 -ATOM 6075 H2 H2O C2025 56.452 44.675 48.089 0.00 0.00 -ATOM 6076 O1 H2O C2026 37.734 6.632 54.964 0.00 0.00 -ATOM 6077 H1 H2O C2026 37.812 7.482 54.444 0.00 0.00 -ATOM 6078 H2 H2O C2026 37.543 5.875 54.338 0.00 0.00 -ATOM 6079 O1 H2O C2027 54.750 59.446 19.413 0.00 0.00 -ATOM 6080 H1 H2O C2027 54.376 60.352 19.215 0.00 0.00 -ATOM 6081 H2 H2O C2027 54.045 58.753 19.262 0.00 0.00 -ATOM 6082 O1 H2O C2028 22.652 1.421 55.551 0.00 0.00 -ATOM 6083 H1 H2O C2028 22.310 2.021 54.828 0.00 0.00 -ATOM 6084 H2 H2O C2028 23.652 1.431 55.547 0.00 0.00 -ATOM 6085 O1 H2O C2029 54.746 38.945 26.750 0.00 0.00 -ATOM 6086 H1 H2O C2029 55.266 39.015 27.601 0.00 0.00 -ATOM 6087 H2 H2O C2029 54.166 38.131 26.780 0.00 0.00 -ATOM 6088 O1 H2O C2030 52.504 45.344 22.235 0.00 0.00 -ATOM 6089 H1 H2O C2030 51.896 44.553 22.172 0.00 0.00 -ATOM 6090 H2 H2O C2030 52.584 45.776 21.337 0.00 0.00 -ATOM 6091 O1 H2O C2031 18.856 18.142 45.840 0.00 0.00 -ATOM 6092 H1 H2O C2031 19.063 18.187 46.817 0.00 0.00 -ATOM 6093 H2 H2O C2031 18.353 17.300 45.644 0.00 0.00 -ATOM 6094 O1 H2O C2032 30.338 56.367 26.042 0.00 0.00 -ATOM 6095 H1 H2O C2032 31.107 56.941 25.759 0.00 0.00 -ATOM 6096 H2 H2O C2032 29.941 56.735 26.884 0.00 0.00 -ATOM 6097 O1 H2O C2033 13.370 44.320 42.071 0.00 0.00 -ATOM 6098 H1 H2O C2033 12.780 43.866 41.402 0.00 0.00 -ATOM 6099 H2 H2O C2033 13.431 45.294 41.854 0.00 0.00 -ATOM 6100 O1 H2O C2034 52.021 59.082 31.687 0.00 0.00 -ATOM 6101 H1 H2O C2034 51.767 58.201 32.086 0.00 0.00 -ATOM 6102 H2 H2O C2034 52.869 59.405 32.107 0.00 0.00 -ATOM 6103 O1 H2O C2035 10.754 -0.011 6.259 0.00 0.00 -ATOM 6104 H1 H2O C2035 10.210 0.771 6.563 0.00 0.00 -ATOM 6105 H2 H2O C2035 10.287 -0.468 5.502 0.00 0.00 -ATOM 6106 O1 H2O C2036 45.275 50.532 38.462 0.00 0.00 -ATOM 6107 H1 H2O C2036 44.940 50.571 37.521 0.00 0.00 -ATOM 6108 H2 H2O C2036 45.073 49.632 38.850 0.00 0.00 -ATOM 6109 O1 H2O C2037 16.803 2.899 59.925 0.00 0.00 -ATOM 6110 H1 H2O C2037 17.683 3.374 59.910 0.00 0.00 -ATOM 6111 H2 H2O C2037 16.937 1.940 59.677 0.00 0.00 -ATOM 6112 O1 H2O C2038 50.857 7.993 14.617 0.00 0.00 -ATOM 6113 H1 H2O C2038 51.291 8.517 15.349 0.00 0.00 -ATOM 6114 H2 H2O C2038 51.156 8.347 13.731 0.00 0.00 -ATOM 6115 O1 H2O C2039 58.674 40.521 30.821 0.00 0.00 -ATOM 6116 H1 H2O C2039 58.601 39.622 30.390 0.00 0.00 -ATOM 6117 H2 H2O C2039 59.622 40.682 31.098 0.00 0.00 -ATOM 6118 O1 H2O C2040 26.076 30.622 46.763 0.00 0.00 -ATOM 6119 H1 H2O C2040 25.559 29.856 46.381 0.00 0.00 -ATOM 6120 H2 H2O C2040 25.487 31.428 46.815 0.00 0.00 -ATOM 6121 O1 H2O C2041 6.878 37.971 39.374 0.00 0.00 -ATOM 6122 H1 H2O C2041 7.265 38.719 39.913 0.00 0.00 -ATOM 6123 H2 H2O C2041 7.095 38.108 38.408 0.00 0.00 -ATOM 6124 O1 H2O C2042 19.840 36.769 31.127 0.00 0.00 -ATOM 6125 H1 H2O C2042 19.502 36.799 32.067 0.00 0.00 -ATOM 6126 H2 H2O C2042 19.511 37.570 30.628 0.00 0.00 -ATOM 6127 O1 H2O C2043 13.647 59.848 0.239 0.00 0.00 -ATOM 6128 H1 H2O C2043 13.091 60.263 -0.481 0.00 0.00 -ATOM 6129 H2 H2O C2043 13.111 59.789 1.081 0.00 0.00 -ATOM 6130 O1 H2O C2044 7.160 4.817 42.634 0.00 0.00 -ATOM 6131 H1 H2O C2044 6.167 4.779 42.752 0.00 0.00 -ATOM 6132 H2 H2O C2044 7.374 5.115 41.704 0.00 0.00 -ATOM 6133 O1 H2O C2045 33.197 27.057 30.830 0.00 0.00 -ATOM 6134 H1 H2O C2045 32.788 27.178 29.925 0.00 0.00 -ATOM 6135 H2 H2O C2045 32.583 26.513 31.402 0.00 0.00 -ATOM 6136 O1 H2O C2046 25.029 5.454 15.952 0.00 0.00 -ATOM 6137 H1 H2O C2046 24.105 5.071 15.935 0.00 0.00 -ATOM 6138 H2 H2O C2046 25.084 6.220 15.312 0.00 0.00 -ATOM 6139 O1 H2O C2047 52.437 9.711 53.860 0.00 0.00 -ATOM 6140 H1 H2O C2047 52.726 10.667 53.899 0.00 0.00 -ATOM 6141 H2 H2O C2047 52.458 9.395 52.911 0.00 0.00 -ATOM 6142 O1 H2O C2048 15.692 4.468 47.410 0.00 0.00 -ATOM 6143 H1 H2O C2048 15.997 4.260 46.480 0.00 0.00 -ATOM 6144 H2 H2O C2048 16.109 3.823 48.050 0.00 0.00 -ATOM 6145 O1 H2O C2049 8.530 41.089 6.606 0.00 0.00 -ATOM 6146 H1 H2O C2049 8.889 40.440 7.277 0.00 0.00 -ATOM 6147 H2 H2O C2049 7.557 41.244 6.782 0.00 0.00 -ATOM 6148 O1 H2O C2050 44.741 55.796 8.216 0.00 0.00 -ATOM 6149 H1 H2O C2050 45.125 55.579 7.319 0.00 0.00 -ATOM 6150 H2 H2O C2050 45.477 55.837 8.892 0.00 0.00 -ATOM 6151 O1 H2O C2051 46.510 5.004 58.180 0.00 0.00 -ATOM 6152 H1 H2O C2051 45.970 4.973 57.339 0.00 0.00 -ATOM 6153 H2 H2O C2051 47.391 4.555 58.027 0.00 0.00 -ATOM 6154 O1 H2O C2052 54.571 28.110 14.935 0.00 0.00 -ATOM 6155 H1 H2O C2052 54.636 28.269 15.920 0.00 0.00 -ATOM 6156 H2 H2O C2052 54.607 27.128 14.752 0.00 0.00 -ATOM 6157 O1 H2O C2053 13.294 24.024 48.647 0.00 0.00 -ATOM 6158 H1 H2O C2053 13.383 24.430 47.738 0.00 0.00 -ATOM 6159 H2 H2O C2053 13.356 23.029 48.575 0.00 0.00 -ATOM 6160 O1 H2O C2054 10.476 11.283 19.212 0.00 0.00 -ATOM 6161 H1 H2O C2054 10.257 10.589 19.899 0.00 0.00 -ATOM 6162 H2 H2O C2054 9.708 11.380 18.579 0.00 0.00 -ATOM 6163 O1 H2O C2055 38.441 11.096 43.371 0.00 0.00 -ATOM 6164 H1 H2O C2055 37.790 11.853 43.301 0.00 0.00 -ATOM 6165 H2 H2O C2055 37.973 10.236 43.169 0.00 0.00 -ATOM 6166 O1 H2O C2056 51.394 54.921 17.892 0.00 0.00 -ATOM 6167 H1 H2O C2056 51.965 55.275 17.151 0.00 0.00 -ATOM 6168 H2 H2O C2056 51.966 54.431 18.550 0.00 0.00 -ATOM 6169 O1 H2O C2057 28.968 20.322 8.738 0.00 0.00 -ATOM 6170 H1 H2O C2057 29.399 19.885 9.528 0.00 0.00 -ATOM 6171 H2 H2O C2057 28.226 20.915 9.049 0.00 0.00 -ATOM 6172 O1 H2O C2058 11.444 17.644 10.004 0.00 0.00 -ATOM 6173 H1 H2O C2058 11.926 16.823 10.310 0.00 0.00 -ATOM 6174 H2 H2O C2058 10.502 17.408 9.766 0.00 0.00 -ATOM 6175 O1 H2O C2059 11.808 0.366 11.802 0.00 0.00 -ATOM 6176 H1 H2O C2059 12.222 -0.400 11.310 0.00 0.00 -ATOM 6177 H2 H2O C2059 12.233 1.221 11.505 0.00 0.00 -ATOM 6178 O1 H2O C2060 24.144 47.174 51.835 0.00 0.00 -ATOM 6179 H1 H2O C2060 23.151 47.292 51.853 0.00 0.00 -ATOM 6180 H2 H2O C2060 24.562 47.754 52.534 0.00 0.00 -ATOM 6181 O1 H2O C2061 49.348 29.982 25.523 0.00 0.00 -ATOM 6182 H1 H2O C2061 49.528 29.104 25.966 0.00 0.00 -ATOM 6183 H2 H2O C2061 48.795 29.835 24.703 0.00 0.00 -ATOM 6184 O1 H2O C2062 38.965 37.907 45.264 0.00 0.00 -ATOM 6185 H1 H2O C2062 38.197 37.958 45.904 0.00 0.00 -ATOM 6186 H2 H2O C2062 39.587 38.672 45.428 0.00 0.00 -ATOM 6187 O1 H2O C2063 12.108 19.011 41.554 0.00 0.00 -ATOM 6188 H1 H2O C2063 12.340 19.876 41.999 0.00 0.00 -ATOM 6189 H2 H2O C2063 11.824 19.186 40.612 0.00 0.00 -ATOM 6190 O1 H2O C2064 55.702 31.250 6.772 0.00 0.00 -ATOM 6191 H1 H2O C2064 55.936 31.855 7.533 0.00 0.00 -ATOM 6192 H2 H2O C2064 55.446 31.799 5.976 0.00 0.00 -ATOM 6193 O1 H2O C2065 58.425 49.906 38.597 0.00 0.00 -ATOM 6194 H1 H2O C2065 58.101 50.427 39.387 0.00 0.00 -ATOM 6195 H2 H2O C2065 58.938 50.509 37.987 0.00 0.00 -ATOM 6196 O1 H2O C2066 8.265 20.031 48.812 0.00 0.00 -ATOM 6197 H1 H2O C2066 8.334 20.855 48.248 0.00 0.00 -ATOM 6198 H2 H2O C2066 7.409 19.557 48.605 0.00 0.00 -ATOM 6199 O1 H2O C2067 25.610 24.726 46.691 0.00 0.00 -ATOM 6200 H1 H2O C2067 25.744 25.647 46.327 0.00 0.00 -ATOM 6201 H2 H2O C2067 25.003 24.212 46.085 0.00 0.00 -ATOM 6202 O1 H2O C2068 0.457 56.677 2.304 0.00 0.00 -ATOM 6203 H1 H2O C2068 0.707 57.360 1.619 0.00 0.00 -ATOM 6204 H2 H2O C2068 -0.232 57.060 2.920 0.00 0.00 -ATOM 6205 O1 H2O C2069 13.321 53.474 40.542 0.00 0.00 -ATOM 6206 H1 H2O C2069 12.936 53.478 39.620 0.00 0.00 -ATOM 6207 H2 H2O C2069 13.809 54.331 40.704 0.00 0.00 -ATOM 6208 O1 H2O C2070 32.801 29.038 52.764 0.00 0.00 -ATOM 6209 H1 H2O C2070 32.438 29.840 52.290 0.00 0.00 -ATOM 6210 H2 H2O C2070 33.553 28.648 52.233 0.00 0.00 -ATOM 6211 O1 H2O C2071 30.041 34.203 52.125 0.00 0.00 -ATOM 6212 H1 H2O C2071 30.045 35.196 52.011 0.00 0.00 -ATOM 6213 H2 H2O C2071 29.573 33.967 52.977 0.00 0.00 -ATOM 6214 O1 H2O C2072 27.829 23.626 50.124 0.00 0.00 -ATOM 6215 H1 H2O C2072 28.550 23.624 50.818 0.00 0.00 -ATOM 6216 H2 H2O C2072 27.539 22.685 49.944 0.00 0.00 -ATOM 6217 O1 H2O C2073 59.696 2.365 5.089 0.00 0.00 -ATOM 6218 H1 H2O C2073 60.678 2.509 4.966 0.00 0.00 -ATOM 6219 H2 H2O C2073 59.192 3.067 4.585 0.00 0.00 -ATOM 6220 O1 H2O C2074 45.757 8.646 37.131 0.00 0.00 -ATOM 6221 H1 H2O C2074 46.086 8.499 36.198 0.00 0.00 -ATOM 6222 H2 H2O C2074 46.123 9.510 37.480 0.00 0.00 -ATOM 6223 O1 H2O C2075 11.068 11.583 27.052 0.00 0.00 -ATOM 6224 H1 H2O C2075 10.951 12.304 26.370 0.00 0.00 -ATOM 6225 H2 H2O C2075 10.187 11.143 27.228 0.00 0.00 -ATOM 6226 O1 H2O C2076 42.087 3.426 42.274 0.00 0.00 -ATOM 6227 H1 H2O C2076 42.623 3.508 41.434 0.00 0.00 -ATOM 6228 H2 H2O C2076 42.561 3.896 43.019 0.00 0.00 -ATOM 6229 O1 H2O C2077 16.784 24.167 25.380 0.00 0.00 -ATOM 6230 H1 H2O C2077 17.294 23.745 24.630 0.00 0.00 -ATOM 6231 H2 H2O C2077 17.044 25.129 25.460 0.00 0.00 -ATOM 6232 O1 H2O C2078 42.904 54.854 59.465 0.00 0.00 -ATOM 6233 H1 H2O C2078 43.137 54.831 58.492 0.00 0.00 -ATOM 6234 H2 H2O C2078 42.589 53.951 59.753 0.00 0.00 -ATOM 6235 O1 H2O C2079 13.275 19.087 46.493 0.00 0.00 -ATOM 6236 H1 H2O C2079 13.440 19.025 45.509 0.00 0.00 -ATOM 6237 H2 H2O C2079 12.784 18.272 46.801 0.00 0.00 -ATOM 6238 O1 H2O C2080 0.711 19.459 4.148 0.00 0.00 -ATOM 6239 H1 H2O C2080 -0.104 18.993 4.492 0.00 0.00 -ATOM 6240 H2 H2O C2080 0.489 20.413 3.947 0.00 0.00 -ATOM 6241 O1 H2O C2081 19.868 56.997 59.529 0.00 0.00 -ATOM 6242 H1 H2O C2081 19.079 57.537 59.236 0.00 0.00 -ATOM 6243 H2 H2O C2081 20.285 57.423 60.332 0.00 0.00 -ATOM 6244 O1 H2O C2082 12.493 37.507 31.493 0.00 0.00 -ATOM 6245 H1 H2O C2082 12.739 38.388 31.899 0.00 0.00 -ATOM 6246 H2 H2O C2082 12.418 36.817 32.212 0.00 0.00 -ATOM 6247 O1 H2O C2083 11.943 28.494 33.498 0.00 0.00 -ATOM 6248 H1 H2O C2083 12.887 28.822 33.475 0.00 0.00 -ATOM 6249 H2 H2O C2083 11.552 28.538 32.579 0.00 0.00 -ATOM 6250 O1 H2O C2084 4.264 48.508 4.618 0.00 0.00 -ATOM 6251 H1 H2O C2084 4.397 47.890 5.393 0.00 0.00 -ATOM 6252 H2 H2O C2084 4.507 49.440 4.890 0.00 0.00 -ATOM 6253 O1 H2O C2085 45.876 16.881 5.416 0.00 0.00 -ATOM 6254 H1 H2O C2085 45.003 16.659 5.852 0.00 0.00 -ATOM 6255 H2 H2O C2085 46.012 16.285 4.623 0.00 0.00 -ATOM 6256 O1 H2O C2086 24.710 16.772 52.045 0.00 0.00 -ATOM 6257 H1 H2O C2086 23.720 16.637 52.002 0.00 0.00 -ATOM 6258 H2 H2O C2086 24.928 17.395 52.797 0.00 0.00 -ATOM 6259 O1 H2O C2087 44.003 26.437 51.121 0.00 0.00 -ATOM 6260 H1 H2O C2087 44.420 27.249 51.528 0.00 0.00 -ATOM 6261 H2 H2O C2087 43.024 26.595 50.992 0.00 0.00 -ATOM 6262 O1 H2O C2088 22.457 10.663 9.899 0.00 0.00 -ATOM 6263 H1 H2O C2088 21.933 10.988 9.112 0.00 0.00 -ATOM 6264 H2 H2O C2088 23.206 10.080 9.584 0.00 0.00 -ATOM 6265 O1 H2O C2089 10.303 27.370 6.934 0.00 0.00 -ATOM 6266 H1 H2O C2089 10.925 26.586 6.938 0.00 0.00 -ATOM 6267 H2 H2O C2089 10.032 27.574 5.992 0.00 0.00 -ATOM 6268 O1 H2O C2090 33.114 56.899 52.777 0.00 0.00 -ATOM 6269 H1 H2O C2090 33.736 56.710 52.018 0.00 0.00 -ATOM 6270 H2 H2O C2090 32.707 57.804 52.657 0.00 0.00 -ATOM 6271 O1 H2O C2091 53.785 23.615 24.513 0.00 0.00 -ATOM 6272 H1 H2O C2091 54.706 23.230 24.559 0.00 0.00 -ATOM 6273 H2 H2O C2091 53.842 24.593 24.312 0.00 0.00 -ATOM 6274 O1 H2O C2092 22.762 15.493 8.950 0.00 0.00 -ATOM 6275 H1 H2O C2092 22.030 16.113 8.667 0.00 0.00 -ATOM 6276 H2 H2O C2092 22.664 15.283 9.923 0.00 0.00 -ATOM 6277 O1 H2O C2093 53.623 27.606 24.198 0.00 0.00 -ATOM 6278 H1 H2O C2093 53.867 27.284 23.283 0.00 0.00 -ATOM 6279 H2 H2O C2093 54.232 28.355 24.460 0.00 0.00 -ATOM 6280 O1 H2O C2094 8.528 26.046 15.657 0.00 0.00 -ATOM 6281 H1 H2O C2094 7.739 25.562 15.278 0.00 0.00 -ATOM 6282 H2 H2O C2094 9.348 25.483 15.551 0.00 0.00 -ATOM 6283 O1 H2O C2095 27.008 31.289 48.665 0.00 0.00 -ATOM 6284 H1 H2O C2095 26.055 31.515 48.865 0.00 0.00 -ATOM 6285 H2 H2O C2095 27.546 32.130 48.608 0.00 0.00 -ATOM 6286 O1 H2O C2096 39.427 3.270 36.516 0.00 0.00 -ATOM 6287 H1 H2O C2096 40.325 3.156 36.090 0.00 0.00 -ATOM 6288 H2 H2O C2096 38.782 2.620 36.112 0.00 0.00 -ATOM 6289 O1 H2O C2097 42.659 47.507 45.436 0.00 0.00 -ATOM 6290 H1 H2O C2097 41.699 47.276 45.597 0.00 0.00 -ATOM 6291 H2 H2O C2097 43.061 46.840 44.809 0.00 0.00 -ATOM 6292 O1 H2O C2098 21.337 21.001 1.287 0.00 0.00 -ATOM 6293 H1 H2O C2098 21.815 21.452 2.041 0.00 0.00 -ATOM 6294 H2 H2O C2098 21.829 20.170 1.029 0.00 0.00 -ATOM 6295 O1 H2O C2099 12.135 2.140 13.171 0.00 0.00 -ATOM 6296 H1 H2O C2099 11.422 2.120 12.470 0.00 0.00 -ATOM 6297 H2 H2O C2099 11.748 2.475 14.030 0.00 0.00 -ATOM 6298 O1 H2O C2100 16.203 18.565 56.667 0.00 0.00 -ATOM 6299 H1 H2O C2100 17.036 18.454 57.210 0.00 0.00 -ATOM 6300 H2 H2O C2100 15.412 18.615 57.277 0.00 0.00 -ATOM 6301 O1 H2O C2101 54.436 57.934 39.482 0.00 0.00 -ATOM 6302 H1 H2O C2101 53.995 58.143 38.609 0.00 0.00 -ATOM 6303 H2 H2O C2101 55.124 58.631 39.683 0.00 0.00 -ATOM 6304 O1 H2O C2102 17.917 36.483 17.919 0.00 0.00 -ATOM 6305 H1 H2O C2102 17.375 36.562 17.082 0.00 0.00 -ATOM 6306 H2 H2O C2102 17.315 36.552 18.714 0.00 0.00 -ATOM 6307 O1 H2O C2103 29.125 1.388 21.201 0.00 0.00 -ATOM 6308 H1 H2O C2103 29.220 0.494 20.764 0.00 0.00 -ATOM 6309 H2 H2O C2103 29.385 1.317 22.164 0.00 0.00 -ATOM 6310 O1 H2O C2104 49.577 0.112 12.644 0.00 0.00 -ATOM 6311 H1 H2O C2104 49.982 0.983 12.922 0.00 0.00 -ATOM 6312 H2 H2O C2104 48.888 -0.164 13.314 0.00 0.00 -ATOM 6313 O1 H2O C2105 18.303 54.048 54.858 0.00 0.00 -ATOM 6314 H1 H2O C2105 17.786 54.613 55.501 0.00 0.00 -ATOM 6315 H2 H2O C2105 18.045 53.089 54.974 0.00 0.00 -ATOM 6316 O1 H2O C2106 10.579 47.068 53.329 0.00 0.00 -ATOM 6317 H1 H2O C2106 11.182 46.401 53.767 0.00 0.00 -ATOM 6318 H2 H2O C2106 9.627 46.846 53.538 0.00 0.00 -ATOM 6319 O1 H2O C2107 22.656 59.483 10.389 0.00 0.00 -ATOM 6320 H1 H2O C2107 23.095 58.592 10.510 0.00 0.00 -ATOM 6321 H2 H2O C2107 21.781 59.491 10.873 0.00 0.00 -ATOM 6322 O1 H2O C2108 51.969 49.541 51.552 0.00 0.00 -ATOM 6323 H1 H2O C2108 51.328 50.309 51.545 0.00 0.00 -ATOM 6324 H2 H2O C2108 51.662 48.845 50.903 0.00 0.00 -ATOM 6325 O1 H2O C2109 0.389 9.497 25.669 0.00 0.00 -ATOM 6326 H1 H2O C2109 0.192 8.565 25.367 0.00 0.00 -ATOM 6327 H2 H2O C2109 0.567 10.075 24.872 0.00 0.00 -ATOM 6328 O1 H2O C2110 38.139 5.727 48.113 0.00 0.00 -ATOM 6329 H1 H2O C2110 38.724 6.462 48.456 0.00 0.00 -ATOM 6330 H2 H2O C2110 37.807 5.964 47.200 0.00 0.00 -ATOM 6331 O1 H2O C2111 32.001 36.945 48.239 0.00 0.00 -ATOM 6332 H1 H2O C2111 32.350 36.463 49.043 0.00 0.00 -ATOM 6333 H2 H2O C2111 31.048 36.686 48.083 0.00 0.00 -ATOM 6334 O1 H2O C2112 44.598 27.169 50.781 0.00 0.00 -ATOM 6335 H1 H2O C2112 43.681 27.533 50.944 0.00 0.00 -ATOM 6336 H2 H2O C2112 45.013 27.645 50.006 0.00 0.00 -ATOM 6337 O1 H2O C2113 45.185 15.412 27.957 0.00 0.00 -ATOM 6338 H1 H2O C2113 45.705 15.525 28.804 0.00 0.00 -ATOM 6339 H2 H2O C2113 45.797 15.516 27.174 0.00 0.00 -ATOM 6340 O1 H2O C2114 40.222 40.247 45.694 0.00 0.00 -ATOM 6341 H1 H2O C2114 39.584 40.826 46.201 0.00 0.00 -ATOM 6342 H2 H2O C2114 40.882 40.822 45.211 0.00 0.00 -ATOM 6343 O1 H2O C2115 59.984 25.598 42.956 0.00 0.00 -ATOM 6344 H1 H2O C2115 59.248 26.033 43.475 0.00 0.00 -ATOM 6345 H2 H2O C2115 59.684 25.448 42.014 0.00 0.00 -ATOM 6346 O1 H2O C2116 30.174 29.293 30.576 0.00 0.00 -ATOM 6347 H1 H2O C2116 30.323 29.752 31.453 0.00 0.00 -ATOM 6348 H2 H2O C2116 31.037 29.249 30.072 0.00 0.00 -ATOM 6349 O1 H2O C2117 43.101 43.397 47.214 0.00 0.00 -ATOM 6350 H1 H2O C2117 43.023 43.732 46.275 0.00 0.00 -ATOM 6351 H2 H2O C2117 43.776 43.945 47.708 0.00 0.00 -ATOM 6352 O1 H2O C2118 47.597 34.735 31.275 0.00 0.00 -ATOM 6353 H1 H2O C2118 46.682 34.333 31.245 0.00 0.00 -ATOM 6354 H2 H2O C2118 47.959 34.808 30.345 0.00 0.00 -ATOM 6355 O1 H2O C2119 23.867 9.337 52.518 0.00 0.00 -ATOM 6356 H1 H2O C2119 24.844 9.227 52.336 0.00 0.00 -ATOM 6357 H2 H2O C2119 23.737 10.020 53.238 0.00 0.00 -ATOM 6358 O1 H2O C2120 19.714 4.888 16.928 0.00 0.00 -ATOM 6359 H1 H2O C2120 19.702 3.890 16.863 0.00 0.00 -ATOM 6360 H2 H2O C2120 20.483 5.176 17.499 0.00 0.00 -ATOM 6361 O1 H2O C2121 2.791 28.997 -0.178 0.00 0.00 -ATOM 6362 H1 H2O C2121 2.528 29.315 0.733 0.00 0.00 -ATOM 6363 H2 H2O C2121 3.521 29.579 -0.536 0.00 0.00 -ATOM 6364 O1 H2O C2122 35.408 21.287 9.594 0.00 0.00 -ATOM 6365 H1 H2O C2122 34.862 20.626 9.079 0.00 0.00 -ATOM 6366 H2 H2O C2122 36.190 21.577 9.040 0.00 0.00 -ATOM 6367 O1 H2O C2123 55.850 39.127 34.136 0.00 0.00 -ATOM 6368 H1 H2O C2123 56.509 39.224 34.882 0.00 0.00 -ATOM 6369 H2 H2O C2123 56.338 38.943 33.282 0.00 0.00 -ATOM 6370 O1 H2O C2124 42.261 49.186 29.502 0.00 0.00 -ATOM 6371 H1 H2O C2124 41.999 49.863 28.814 0.00 0.00 -ATOM 6372 H2 H2O C2124 43.041 48.656 29.168 0.00 0.00 -ATOM 6373 O1 H2O C2125 25.500 7.306 33.701 0.00 0.00 -ATOM 6374 H1 H2O C2125 26.084 7.895 33.143 0.00 0.00 -ATOM 6375 H2 H2O C2125 26.028 6.518 34.019 0.00 0.00 -ATOM 6376 O1 H2O C2126 55.498 49.942 34.695 0.00 0.00 -ATOM 6377 H1 H2O C2126 54.609 49.726 35.101 0.00 0.00 -ATOM 6378 H2 H2O C2126 56.063 50.419 35.369 0.00 0.00 -ATOM 6379 O1 H2O C2127 14.582 13.573 23.994 0.00 0.00 -ATOM 6380 H1 H2O C2127 14.502 14.156 24.803 0.00 0.00 -ATOM 6381 H2 H2O C2127 15.042 12.720 24.242 0.00 0.00 -ATOM 6382 O1 H2O C2128 51.414 30.206 13.629 0.00 0.00 -ATOM 6383 H1 H2O C2128 51.933 29.778 14.369 0.00 0.00 -ATOM 6384 H2 H2O C2128 50.435 30.132 13.822 0.00 0.00 -ATOM 6385 O1 H2O C2129 42.110 24.051 1.515 0.00 0.00 -ATOM 6386 H1 H2O C2129 42.881 23.980 0.882 0.00 0.00 -ATOM 6387 H2 H2O C2129 41.350 23.496 1.178 0.00 0.00 -ATOM 6388 O1 H2O C2130 39.627 57.736 9.310 0.00 0.00 -ATOM 6389 H1 H2O C2130 39.988 56.847 9.596 0.00 0.00 -ATOM 6390 H2 H2O C2130 39.499 57.739 8.317 0.00 0.00 -ATOM 6391 O1 H2O C2131 7.046 57.487 59.159 0.00 0.00 -ATOM 6392 H1 H2O C2131 7.401 56.851 58.474 0.00 0.00 -ATOM 6393 H2 H2O C2131 6.409 58.124 58.724 0.00 0.00 -ATOM 6394 O1 H2O C2132 48.644 6.305 27.313 0.00 0.00 -ATOM 6395 H1 H2O C2132 48.034 7.019 27.655 0.00 0.00 -ATOM 6396 H2 H2O C2132 48.168 5.764 26.620 0.00 0.00 -ATOM 6397 O1 H2O C2133 47.463 58.756 3.845 0.00 0.00 -ATOM 6398 H1 H2O C2133 46.836 57.979 3.797 0.00 0.00 -ATOM 6399 H2 H2O C2133 47.968 58.830 2.985 0.00 0.00 -ATOM 6400 O1 H2O C2134 51.702 24.259 2.682 0.00 0.00 -ATOM 6401 H1 H2O C2134 52.061 23.532 3.268 0.00 0.00 -ATOM 6402 H2 H2O C2134 51.772 23.979 1.724 0.00 0.00 -ATOM 6403 O1 H2O C2135 7.410 4.001 51.996 0.00 0.00 -ATOM 6404 H1 H2O C2135 7.135 3.711 51.079 0.00 0.00 -ATOM 6405 H2 H2O C2135 8.071 4.749 51.923 0.00 0.00 -ATOM 6406 O1 H2O C2136 49.201 17.041 38.631 0.00 0.00 -ATOM 6407 H1 H2O C2136 49.907 17.370 38.004 0.00 0.00 -ATOM 6408 H2 H2O C2136 49.386 16.089 38.871 0.00 0.00 -ATOM 6409 O1 H2O C2137 28.950 55.869 14.011 0.00 0.00 -ATOM 6410 H1 H2O C2137 28.269 55.164 14.209 0.00 0.00 -ATOM 6411 H2 H2O C2137 29.526 55.571 13.249 0.00 0.00 -ATOM 6412 O1 H2O C2138 18.717 49.270 23.028 0.00 0.00 -ATOM 6413 H1 H2O C2138 18.755 48.348 22.642 0.00 0.00 -ATOM 6414 H2 H2O C2138 19.549 49.446 23.553 0.00 0.00 -ATOM 6415 O1 H2O C2139 32.573 52.040 6.376 0.00 0.00 -ATOM 6416 H1 H2O C2139 33.351 52.194 5.767 0.00 0.00 -ATOM 6417 H2 H2O C2139 32.672 52.606 7.194 0.00 0.00 -ATOM 6418 O1 H2O C2140 31.520 19.033 1.639 0.00 0.00 -ATOM 6419 H1 H2O C2140 30.600 19.426 1.620 0.00 0.00 -ATOM 6420 H2 H2O C2140 31.948 19.145 0.741 0.00 0.00 -ATOM 6421 O1 H2O C2141 27.020 10.941 29.029 0.00 0.00 -ATOM 6422 H1 H2O C2141 26.635 11.669 28.461 0.00 0.00 -ATOM 6423 H2 H2O C2141 27.506 10.287 28.449 0.00 0.00 -ATOM 6424 O1 H2O C2142 7.950 54.680 50.195 0.00 0.00 -ATOM 6425 H1 H2O C2142 7.664 53.872 50.710 0.00 0.00 -ATOM 6426 H2 H2O C2142 7.916 55.483 50.790 0.00 0.00 -ATOM 6427 O1 H2O C2143 36.976 45.173 30.828 0.00 0.00 -ATOM 6428 H1 H2O C2143 36.238 45.833 30.692 0.00 0.00 -ATOM 6429 H2 H2O C2143 37.662 45.562 31.443 0.00 0.00 -ATOM 6430 O1 H2O C2144 18.730 20.570 47.662 0.00 0.00 -ATOM 6431 H1 H2O C2144 18.164 19.746 47.633 0.00 0.00 -ATOM 6432 H2 H2O C2144 18.263 21.276 48.193 0.00 0.00 -ATOM 6433 O1 H2O C2145 23.222 2.826 50.635 0.00 0.00 -ATOM 6434 H1 H2O C2145 23.345 2.137 49.921 0.00 0.00 -ATOM 6435 H2 H2O C2145 24.096 3.277 50.816 0.00 0.00 -ATOM 6436 O1 H2O C2146 1.104 45.922 17.305 0.00 0.00 -ATOM 6437 H1 H2O C2146 1.782 45.549 17.939 0.00 0.00 -ATOM 6438 H2 H2O C2146 0.982 46.898 17.484 0.00 0.00 -ATOM 6439 O1 H2O C2147 4.059 43.381 39.135 0.00 0.00 -ATOM 6440 H1 H2O C2147 4.954 43.475 38.698 0.00 0.00 -ATOM 6441 H2 H2O C2147 3.398 43.971 38.671 0.00 0.00 -ATOM 6442 O1 H2O C2148 47.135 17.423 43.688 0.00 0.00 -ATOM 6443 H1 H2O C2148 46.457 17.879 43.113 0.00 0.00 -ATOM 6444 H2 H2O C2148 46.792 17.364 44.626 0.00 0.00 -ATOM 6445 O1 H2O C2149 33.144 17.756 47.483 0.00 0.00 -ATOM 6446 H1 H2O C2149 33.469 17.451 48.378 0.00 0.00 -ATOM 6447 H2 H2O C2149 32.572 17.044 47.076 0.00 0.00 -ATOM 6448 O1 H2O C2150 47.994 32.747 23.915 0.00 0.00 -ATOM 6449 H1 H2O C2150 48.170 32.077 24.635 0.00 0.00 -ATOM 6450 H2 H2O C2150 47.009 32.815 23.757 0.00 0.00 -ATOM 6451 O1 H2O C2151 1.181 17.820 37.948 0.00 0.00 -ATOM 6452 H1 H2O C2151 1.257 17.775 36.952 0.00 0.00 -ATOM 6453 H2 H2O C2151 1.524 16.969 38.347 0.00 0.00 -ATOM 6454 O1 H2O C2152 16.263 9.789 19.471 0.00 0.00 -ATOM 6455 H1 H2O C2152 15.394 9.488 19.079 0.00 0.00 -ATOM 6456 H2 H2O C2152 16.517 9.182 20.224 0.00 0.00 -ATOM 6457 O1 H2O C2153 20.623 58.331 41.977 0.00 0.00 -ATOM 6458 H1 H2O C2153 20.079 57.600 42.389 0.00 0.00 -ATOM 6459 H2 H2O C2153 20.228 58.584 41.094 0.00 0.00 -ATOM 6460 O1 H2O C2154 29.824 1.268 51.406 0.00 0.00 -ATOM 6461 H1 H2O C2154 30.652 1.818 51.297 0.00 0.00 -ATOM 6462 H2 H2O C2154 30.036 0.308 51.223 0.00 0.00 -ATOM 6463 O1 H2O C2155 44.517 59.762 28.351 0.00 0.00 -ATOM 6464 H1 H2O C2155 44.506 59.856 27.356 0.00 0.00 -ATOM 6465 H2 H2O C2155 43.717 60.221 28.739 0.00 0.00 -ATOM 6466 O1 H2O C2156 4.631 22.269 47.705 0.00 0.00 -ATOM 6467 H1 H2O C2156 5.095 21.601 47.121 0.00 0.00 -ATOM 6468 H2 H2O C2156 5.206 22.473 48.498 0.00 0.00 -ATOM 6469 O1 H2O C2157 40.768 32.878 12.978 0.00 0.00 -ATOM 6470 H1 H2O C2157 41.446 32.740 13.700 0.00 0.00 -ATOM 6471 H2 H2O C2157 40.806 33.825 12.662 0.00 0.00 -ATOM 6472 O1 H2O C2158 33.715 55.458 24.235 0.00 0.00 -ATOM 6473 H1 H2O C2158 34.441 55.561 23.554 0.00 0.00 -ATOM 6474 H2 H2O C2158 32.878 55.146 23.784 0.00 0.00 -ATOM 6475 O1 H2O C2159 49.718 34.662 41.510 0.00 0.00 -ATOM 6476 H1 H2O C2159 50.038 34.829 42.442 0.00 0.00 -ATOM 6477 H2 H2O C2159 50.302 35.152 40.863 0.00 0.00 -ATOM 6478 O1 H2O C2160 59.456 20.419 58.422 0.00 0.00 -ATOM 6479 H1 H2O C2160 58.745 20.732 59.052 0.00 0.00 -ATOM 6480 H2 H2O C2160 60.088 21.170 58.232 0.00 0.00 -ATOM 6481 O1 H2O C2161 43.743 51.449 39.573 0.00 0.00 -ATOM 6482 H1 H2O C2161 43.431 50.499 39.608 0.00 0.00 -ATOM 6483 H2 H2O C2161 42.952 52.059 39.548 0.00 0.00 -ATOM 6484 O1 H2O C2162 57.402 26.680 14.559 0.00 0.00 -ATOM 6485 H1 H2O C2162 57.075 26.787 15.498 0.00 0.00 -ATOM 6486 H2 H2O C2162 57.146 27.484 14.023 0.00 0.00 -ATOM 6487 O1 H2O C2163 34.986 52.054 36.260 0.00 0.00 -ATOM 6488 H1 H2O C2163 34.440 51.667 37.005 0.00 0.00 -ATOM 6489 H2 H2O C2163 34.388 52.561 35.638 0.00 0.00 -ATOM 6490 O1 H2O C2164 6.977 38.889 47.389 0.00 0.00 -ATOM 6491 H1 H2O C2164 6.545 39.567 47.984 0.00 0.00 -ATOM 6492 H2 H2O C2164 6.448 38.802 46.545 0.00 0.00 -ATOM 6493 O1 H2O C2165 37.147 8.459 36.487 0.00 0.00 -ATOM 6494 H1 H2O C2165 37.447 8.037 37.343 0.00 0.00 -ATOM 6495 H2 H2O C2165 37.878 8.392 35.808 0.00 0.00 -ATOM 6496 O1 H2O C2166 3.752 58.312 2.659 0.00 0.00 -ATOM 6497 H1 H2O C2166 3.687 57.702 3.449 0.00 0.00 -ATOM 6498 H2 H2O C2166 3.040 59.012 2.720 0.00 0.00 -ATOM 6499 O1 H2O C2167 25.435 30.399 10.194 0.00 0.00 -ATOM 6500 H1 H2O C2167 24.830 30.455 9.400 0.00 0.00 -ATOM 6501 H2 H2O C2167 25.719 29.450 10.330 0.00 0.00 -ATOM 6502 O1 H2O C2168 42.792 38.375 4.497 0.00 0.00 -ATOM 6503 H1 H2O C2168 43.644 38.888 4.382 0.00 0.00 -ATOM 6504 H2 H2O C2168 42.551 37.933 3.632 0.00 0.00 -ATOM 6505 O1 H2O C2169 19.332 23.416 35.243 0.00 0.00 -ATOM 6506 H1 H2O C2169 18.959 23.960 34.491 0.00 0.00 -ATOM 6507 H2 H2O C2169 20.259 23.727 35.452 0.00 0.00 -ATOM 6508 O1 H2O C2170 6.240 6.197 0.606 0.00 0.00 -ATOM 6509 H1 H2O C2170 5.757 5.334 0.751 0.00 0.00 -ATOM 6510 H2 H2O C2170 6.086 6.800 1.389 0.00 0.00 -ATOM 6511 O1 H2O C2171 58.021 32.019 4.735 0.00 0.00 -ATOM 6512 H1 H2O C2171 58.402 32.182 5.645 0.00 0.00 -ATOM 6513 H2 H2O C2171 57.541 31.141 4.728 0.00 0.00 -ATOM 6514 O1 H2O C2172 30.482 49.702 54.790 0.00 0.00 -ATOM 6515 H1 H2O C2172 30.822 48.763 54.728 0.00 0.00 -ATOM 6516 H2 H2O C2172 30.133 49.990 53.898 0.00 0.00 -ATOM 6517 O1 H2O C2173 38.940 34.546 12.542 0.00 0.00 -ATOM 6518 H1 H2O C2173 39.192 33.736 12.014 0.00 0.00 -ATOM 6519 H2 H2O C2173 39.145 34.391 13.509 0.00 0.00 -ATOM 6520 O1 H2O C2174 11.925 26.278 47.403 0.00 0.00 -ATOM 6521 H1 H2O C2174 12.806 26.290 46.929 0.00 0.00 -ATOM 6522 H2 H2O C2174 12.073 26.390 48.385 0.00 0.00 -ATOM 6523 O1 H2O C2175 8.691 35.907 49.259 0.00 0.00 -ATOM 6524 H1 H2O C2175 7.810 35.435 49.227 0.00 0.00 -ATOM 6525 H2 H2O C2175 8.544 36.893 49.172 0.00 0.00 -ATOM 6526 O1 H2O C2176 41.165 1.279 47.591 0.00 0.00 -ATOM 6527 H1 H2O C2176 42.121 1.235 47.879 0.00 0.00 -ATOM 6528 H2 H2O C2176 40.587 0.851 48.286 0.00 0.00 -ATOM 6529 O1 H2O C2177 8.754 26.646 24.983 0.00 0.00 -ATOM 6530 H1 H2O C2177 9.249 26.317 24.178 0.00 0.00 -ATOM 6531 H2 H2O C2177 8.247 25.889 25.395 0.00 0.00 -ATOM 6532 O1 H2O C2178 22.611 8.725 29.215 0.00 0.00 -ATOM 6533 H1 H2O C2178 23.127 8.830 30.065 0.00 0.00 -ATOM 6534 H2 H2O C2178 22.145 9.583 29.000 0.00 0.00 -ATOM 6535 O1 H2O C2179 30.743 43.049 14.883 0.00 0.00 -ATOM 6536 H1 H2O C2179 30.412 43.623 14.133 0.00 0.00 -ATOM 6537 H2 H2O C2179 31.741 42.996 14.845 0.00 0.00 -ATOM 6538 O1 H2O C2180 11.595 16.459 13.756 0.00 0.00 -ATOM 6539 H1 H2O C2180 12.459 15.962 13.671 0.00 0.00 -ATOM 6540 H2 H2O C2180 11.499 17.094 12.990 0.00 0.00 -ATOM 6541 O1 H2O C2181 58.853 37.539 35.830 0.00 0.00 -ATOM 6542 H1 H2O C2181 57.890 37.770 35.971 0.00 0.00 -ATOM 6543 H2 H2O C2181 59.394 38.379 35.788 0.00 0.00 -ATOM 6544 O1 H2O C2182 1.640 0.534 3.320 0.00 0.00 -ATOM 6545 H1 H2O C2182 2.577 0.326 3.037 0.00 0.00 -ATOM 6546 H2 H2O C2182 1.629 0.768 4.292 0.00 0.00 -ATOM 6547 O1 H2O C2183 10.437 23.939 7.614 0.00 0.00 -ATOM 6548 H1 H2O C2183 10.182 24.073 8.572 0.00 0.00 -ATOM 6549 H2 H2O C2183 10.334 22.973 7.374 0.00 0.00 -ATOM 6550 O1 H2O C2184 52.207 32.478 57.775 0.00 0.00 -ATOM 6551 H1 H2O C2184 53.123 32.320 57.406 0.00 0.00 -ATOM 6552 H2 H2O C2184 52.261 32.582 58.768 0.00 0.00 -ATOM 6553 O1 H2O C2185 40.881 40.765 38.122 0.00 0.00 -ATOM 6554 H1 H2O C2185 40.783 40.147 38.903 0.00 0.00 -ATOM 6555 H2 H2O C2185 40.254 40.485 37.395 0.00 0.00 -ATOM 6556 O1 H2O C2186 44.189 57.889 23.927 0.00 0.00 -ATOM 6557 H1 H2O C2186 43.949 57.373 24.749 0.00 0.00 -ATOM 6558 H2 H2O C2186 43.635 58.720 23.881 0.00 0.00 -ATOM 6559 O1 H2O C2187 25.720 7.994 28.150 0.00 0.00 -ATOM 6560 H1 H2O C2187 25.448 8.950 28.036 0.00 0.00 -ATOM 6561 H2 H2O C2187 25.310 7.629 28.986 0.00 0.00 -ATOM 6562 O1 H2O C2188 57.173 46.623 44.696 0.00 0.00 -ATOM 6563 H1 H2O C2188 57.777 46.464 45.477 0.00 0.00 -ATOM 6564 H2 H2O C2188 57.478 47.435 44.198 0.00 0.00 -ATOM 6565 O1 H2O C2189 33.912 48.405 6.347 0.00 0.00 -ATOM 6566 H1 H2O C2189 32.958 48.126 6.235 0.00 0.00 -ATOM 6567 H2 H2O C2189 34.026 49.340 6.012 0.00 0.00 -ATOM 6568 O1 H2O C2190 54.103 0.210 41.539 0.00 0.00 -ATOM 6569 H1 H2O C2190 55.033 0.145 41.176 0.00 0.00 -ATOM 6570 H2 H2O C2190 54.111 0.002 42.517 0.00 0.00 -ATOM 6571 O1 H2O C2191 16.867 40.678 26.108 0.00 0.00 -ATOM 6572 H1 H2O C2191 17.119 41.203 25.294 0.00 0.00 -ATOM 6573 H2 H2O C2191 17.640 40.660 26.744 0.00 0.00 -ATOM 6574 O1 H2O C2192 27.903 28.930 11.643 0.00 0.00 -ATOM 6575 H1 H2O C2192 27.875 29.883 11.944 0.00 0.00 -ATOM 6576 H2 H2O C2192 27.644 28.333 12.403 0.00 0.00 -ATOM 6577 O1 H2O C2193 59.842 52.241 0.666 0.00 0.00 -ATOM 6578 H1 H2O C2193 58.971 52.528 0.267 0.00 0.00 -ATOM 6579 H2 H2O C2193 59.801 51.268 0.891 0.00 0.00 -ATOM 6580 O1 H2O C2194 11.023 37.374 51.891 0.00 0.00 -ATOM 6581 H1 H2O C2194 10.809 36.502 51.449 0.00 0.00 -ATOM 6582 H2 H2O C2194 11.011 38.105 51.209 0.00 0.00 -ATOM 6583 O1 H2O C2195 54.621 16.960 3.967 0.00 0.00 -ATOM 6584 H1 H2O C2195 53.689 17.314 3.898 0.00 0.00 -ATOM 6585 H2 H2O C2195 54.739 16.498 4.846 0.00 0.00 -ATOM 6586 O1 H2O C2196 46.819 9.401 6.144 0.00 0.00 -ATOM 6587 H1 H2O C2196 47.035 9.797 7.037 0.00 0.00 -ATOM 6588 H2 H2O C2196 46.730 10.133 5.468 0.00 0.00 -ATOM 6589 O1 H2O C2197 37.657 11.439 23.815 0.00 0.00 -ATOM 6590 H1 H2O C2197 36.964 11.446 23.092 0.00 0.00 -ATOM 6591 H2 H2O C2197 38.468 10.949 23.493 0.00 0.00 -ATOM 6592 O1 H2O C2198 39.775 9.734 49.385 0.00 0.00 -ATOM 6593 H1 H2O C2198 38.787 9.615 49.281 0.00 0.00 -ATOM 6594 H2 H2O C2198 39.997 9.842 50.354 0.00 0.00 -ATOM 6595 O1 H2O C2199 41.267 47.258 4.802 0.00 0.00 -ATOM 6596 H1 H2O C2199 41.886 46.493 4.627 0.00 0.00 -ATOM 6597 H2 H2O C2199 41.752 47.969 5.312 0.00 0.00 -ATOM 6598 O1 H2O C2200 43.502 28.974 32.166 0.00 0.00 -ATOM 6599 H1 H2O C2200 43.294 28.944 31.188 0.00 0.00 -ATOM 6600 H2 H2O C2200 44.092 28.202 32.404 0.00 0.00 -ATOM 6601 O1 H2O C2201 36.388 17.956 20.805 0.00 0.00 -ATOM 6602 H1 H2O C2201 37.361 18.155 20.693 0.00 0.00 -ATOM 6603 H2 H2O C2201 36.107 17.275 20.128 0.00 0.00 -ATOM 6604 O1 H2O C2202 16.892 15.532 14.928 0.00 0.00 -ATOM 6605 H1 H2O C2202 15.959 15.852 15.098 0.00 0.00 -ATOM 6606 H2 H2O C2202 16.864 14.597 14.577 0.00 0.00 -ATOM 6607 O1 H2O C2203 10.394 19.046 37.954 0.00 0.00 -ATOM 6608 H1 H2O C2203 11.320 19.222 37.621 0.00 0.00 -ATOM 6609 H2 H2O C2203 10.391 18.215 38.510 0.00 0.00 -ATOM 6610 O1 H2O C2204 48.377 24.075 39.953 0.00 0.00 -ATOM 6611 H1 H2O C2204 48.899 24.895 40.186 0.00 0.00 -ATOM 6612 H2 H2O C2204 48.626 23.772 39.033 0.00 0.00 -ATOM 6613 O1 H2O C2205 50.445 50.823 23.402 0.00 0.00 -ATOM 6614 H1 H2O C2205 51.076 50.923 22.633 0.00 0.00 -ATOM 6615 H2 H2O C2205 49.931 49.972 23.303 0.00 0.00 -ATOM 6616 O1 H2O C2206 57.640 56.121 32.408 0.00 0.00 -ATOM 6617 H1 H2O C2206 57.699 55.241 32.880 0.00 0.00 -ATOM 6618 H2 H2O C2206 58.473 56.647 32.580 0.00 0.00 -ATOM 6619 O1 H2O C2207 18.151 7.114 23.330 0.00 0.00 -ATOM 6620 H1 H2O C2207 17.771 8.039 23.341 0.00 0.00 -ATOM 6621 H2 H2O C2207 18.856 7.034 24.034 0.00 0.00 -ATOM 6622 O1 H2O C2208 55.560 47.286 20.486 0.00 0.00 -ATOM 6623 H1 H2O C2208 55.330 47.311 21.459 0.00 0.00 -ATOM 6624 H2 H2O C2208 54.747 47.501 19.945 0.00 0.00 -ATOM 6625 O1 H2O C2209 50.191 56.362 56.748 0.00 0.00 -ATOM 6626 H1 H2O C2209 49.365 56.581 57.267 0.00 0.00 -ATOM 6627 H2 H2O C2209 50.682 55.619 57.201 0.00 0.00 -ATOM 6628 O1 H2O C2210 52.720 0.347 0.714 0.00 0.00 -ATOM 6629 H1 H2O C2210 53.589 0.282 0.223 0.00 0.00 -ATOM 6630 H2 H2O C2210 51.968 0.135 0.090 0.00 0.00 -ATOM 6631 O1 H2O C2211 21.324 40.007 21.161 0.00 0.00 -ATOM 6632 H1 H2O C2211 20.578 40.378 20.608 0.00 0.00 -ATOM 6633 H2 H2O C2211 20.989 39.806 22.081 0.00 0.00 -ATOM 6634 O1 H2O C2212 18.718 4.254 8.272 0.00 0.00 -ATOM 6635 H1 H2O C2212 19.422 4.081 7.583 0.00 0.00 -ATOM 6636 H2 H2O C2212 19.133 4.693 9.069 0.00 0.00 -ATOM 6637 O1 H2O C2213 11.456 30.805 58.874 0.00 0.00 -ATOM 6638 H1 H2O C2213 11.438 31.698 58.425 0.00 0.00 -ATOM 6639 H2 H2O C2213 10.521 30.523 59.092 0.00 0.00 -ATOM 6640 O1 H2O C2214 19.532 25.176 57.548 0.00 0.00 -ATOM 6641 H1 H2O C2214 19.836 25.658 58.370 0.00 0.00 -ATOM 6642 H2 H2O C2214 18.655 25.550 57.247 0.00 0.00 -ATOM 6643 O1 H2O C2215 53.985 28.603 23.368 0.00 0.00 -ATOM 6644 H1 H2O C2215 54.535 28.444 24.188 0.00 0.00 -ATOM 6645 H2 H2O C2215 54.559 28.499 22.556 0.00 0.00 -ATOM 6646 O1 H2O C2216 32.968 12.170 24.858 0.00 0.00 -ATOM 6647 H1 H2O C2216 32.928 11.339 24.304 0.00 0.00 -ATOM 6648 H2 H2O C2216 33.761 12.127 25.467 0.00 0.00 -ATOM 6649 O1 H2O C2217 4.684 44.918 4.505 0.00 0.00 -ATOM 6650 H1 H2O C2217 4.070 45.212 5.237 0.00 0.00 -ATOM 6651 H2 H2O C2217 4.761 43.921 4.515 0.00 0.00 -ATOM 6652 O1 H2O C2218 24.048 52.164 37.188 0.00 0.00 -ATOM 6653 H1 H2O C2218 24.233 52.261 38.166 0.00 0.00 -ATOM 6654 H2 H2O C2218 24.049 51.195 36.942 0.00 0.00 -ATOM 6655 O1 H2O C2219 52.907 58.902 2.326 0.00 0.00 -ATOM 6656 H1 H2O C2219 52.998 58.610 1.374 0.00 0.00 -ATOM 6657 H2 H2O C2219 53.304 59.813 2.435 0.00 0.00 -ATOM 6658 O1 H2O C2220 19.849 3.035 47.582 0.00 0.00 -ATOM 6659 H1 H2O C2220 19.132 2.618 47.022 0.00 0.00 -ATOM 6660 H2 H2O C2220 20.669 3.170 47.027 0.00 0.00 -ATOM 6661 O1 H2O C2221 41.186 56.857 51.886 0.00 0.00 -ATOM 6662 H1 H2O C2221 41.171 55.859 51.812 0.00 0.00 -ATOM 6663 H2 H2O C2221 41.418 57.253 50.998 0.00 0.00 -ATOM 6664 O1 H2O C2222 53.234 3.934 5.562 0.00 0.00 -ATOM 6665 H1 H2O C2222 53.838 3.390 6.145 0.00 0.00 -ATOM 6666 H2 H2O C2222 52.585 4.438 6.132 0.00 0.00 -ATOM 6667 O1 H2O C2223 57.427 31.382 47.357 0.00 0.00 -ATOM 6668 H1 H2O C2223 57.709 31.959 48.123 0.00 0.00 -ATOM 6669 H2 H2O C2223 56.452 31.520 47.178 0.00 0.00 -ATOM 6670 O1 H2O C2224 6.490 7.106 35.314 0.00 0.00 -ATOM 6671 H1 H2O C2224 5.563 7.049 34.941 0.00 0.00 -ATOM 6672 H2 H2O C2224 6.672 6.299 35.876 0.00 0.00 -ATOM 6673 O1 H2O C2225 50.506 23.398 24.518 0.00 0.00 -ATOM 6674 H1 H2O C2225 50.071 22.549 24.819 0.00 0.00 -ATOM 6675 H2 H2O C2225 50.260 23.580 23.566 0.00 0.00 -ATOM 6676 O1 H2O C2226 30.915 6.055 55.250 0.00 0.00 -ATOM 6677 H1 H2O C2226 30.953 5.317 54.577 0.00 0.00 -ATOM 6678 H2 H2O C2226 29.982 6.410 55.304 0.00 0.00 -ATOM 6679 O1 H2O C2227 59.295 45.640 3.201 0.00 0.00 -ATOM 6680 H1 H2O C2227 59.447 45.528 4.183 0.00 0.00 -ATOM 6681 H2 H2O C2227 59.371 44.751 2.748 0.00 0.00 -ATOM 6682 O1 H2O C2228 32.692 1.143 36.666 0.00 0.00 -ATOM 6683 H1 H2O C2228 32.131 0.726 35.951 0.00 0.00 -ATOM 6684 H2 H2O C2228 33.398 1.713 36.246 0.00 0.00 -ATOM 6685 O1 H2O C2229 4.620 32.398 19.157 0.00 0.00 -ATOM 6686 H1 H2O C2229 3.673 32.700 19.039 0.00 0.00 -ATOM 6687 H2 H2O C2229 5.139 33.110 19.630 0.00 0.00 -ATOM 6688 O1 H2O C2230 19.107 2.450 53.223 0.00 0.00 -ATOM 6689 H1 H2O C2230 19.282 3.260 53.782 0.00 0.00 -ATOM 6690 H2 H2O C2230 18.438 2.671 52.514 0.00 0.00 -ATOM 6691 O1 H2O C2231 54.810 35.755 37.618 0.00 0.00 -ATOM 6692 H1 H2O C2231 55.242 36.611 37.902 0.00 0.00 -ATOM 6693 H2 H2O C2231 55.087 35.020 38.237 0.00 0.00 -ATOM 6694 O1 H2O C2232 26.317 10.179 40.615 0.00 0.00 -ATOM 6695 H1 H2O C2232 26.981 9.724 40.020 0.00 0.00 -ATOM 6696 H2 H2O C2232 26.129 11.096 40.263 0.00 0.00 -ATOM 6697 O1 H2O C2233 31.235 48.323 52.426 0.00 0.00 -ATOM 6698 H1 H2O C2233 30.906 48.550 53.342 0.00 0.00 -ATOM 6699 H2 H2O C2233 31.353 47.332 52.350 0.00 0.00 -ATOM 6700 O1 H2O C2234 43.098 16.523 2.556 0.00 0.00 -ATOM 6701 H1 H2O C2234 43.354 15.767 3.158 0.00 0.00 -ATOM 6702 H2 H2O C2234 42.131 16.742 2.689 0.00 0.00 -ATOM 6703 O1 H2O C2235 49.693 19.270 37.608 0.00 0.00 -ATOM 6704 H1 H2O C2235 49.676 20.087 37.032 0.00 0.00 -ATOM 6705 H2 H2O C2235 49.994 19.517 38.529 0.00 0.00 -ATOM 6706 O1 H2O C2236 56.307 54.453 29.387 0.00 0.00 -ATOM 6707 H1 H2O C2236 57.278 54.334 29.591 0.00 0.00 -ATOM 6708 H2 H2O C2236 55.778 54.394 30.234 0.00 0.00 -ATOM 6709 O1 H2O C2237 40.598 52.623 3.902 0.00 0.00 -ATOM 6710 H1 H2O C2237 39.845 53.279 3.942 0.00 0.00 -ATOM 6711 H2 H2O C2237 41.253 52.909 3.203 0.00 0.00 -ATOM 6712 O1 H2O C2238 12.166 57.707 16.593 0.00 0.00 -ATOM 6713 H1 H2O C2238 11.209 57.454 16.735 0.00 0.00 -ATOM 6714 H2 H2O C2238 12.247 58.249 15.757 0.00 0.00 -ATOM 6715 O1 H2O C2239 21.571 44.558 6.993 0.00 0.00 -ATOM 6716 H1 H2O C2239 20.687 44.129 7.182 0.00 0.00 -ATOM 6717 H2 H2O C2239 22.064 44.018 6.312 0.00 0.00 -ATOM 6718 O1 H2O C2240 29.501 12.797 53.888 0.00 0.00 -ATOM 6719 H1 H2O C2240 29.878 12.150 53.224 0.00 0.00 -ATOM 6720 H2 H2O C2240 28.676 12.408 54.299 0.00 0.00 -ATOM 6721 O1 H2O C2241 32.952 5.569 12.564 0.00 0.00 -ATOM 6722 H1 H2O C2241 33.342 6.124 13.299 0.00 0.00 -ATOM 6723 H2 H2O C2241 32.971 6.088 11.709 0.00 0.00 -ATOM 6724 O1 H2O C2242 10.509 23.471 3.470 0.00 0.00 -ATOM 6725 H1 H2O C2242 10.802 24.361 3.121 0.00 0.00 -ATOM 6726 H2 H2O C2242 9.625 23.231 3.069 0.00 0.00 -ATOM 6727 O1 H2O C2243 34.076 3.183 6.155 0.00 0.00 -ATOM 6728 H1 H2O C2243 34.524 4.023 5.848 0.00 0.00 -ATOM 6729 H2 H2O C2243 33.193 3.089 5.695 0.00 0.00 -ATOM 6730 O1 H2O C2244 35.329 37.742 42.948 0.00 0.00 -ATOM 6731 H1 H2O C2244 35.311 37.785 41.949 0.00 0.00 -ATOM 6732 H2 H2O C2244 36.276 37.669 43.261 0.00 0.00 -ATOM 6733 O1 H2O C2245 17.517 0.549 53.759 0.00 0.00 -ATOM 6734 H1 H2O C2245 17.750 0.077 52.907 0.00 0.00 -ATOM 6735 H2 H2O C2245 17.343 1.515 53.567 0.00 0.00 -ATOM 6736 O1 H2O C2246 45.789 43.575 16.995 0.00 0.00 -ATOM 6737 H1 H2O C2246 45.131 43.281 17.688 0.00 0.00 -ATOM 6738 H2 H2O C2246 45.324 43.679 16.116 0.00 0.00 -ATOM 6739 O1 H2O C2247 56.107 54.690 16.139 0.00 0.00 -ATOM 6740 H1 H2O C2247 56.226 54.271 17.039 0.00 0.00 -ATOM 6741 H2 H2O C2247 56.765 55.436 16.029 0.00 0.00 -ATOM 6742 O1 H2O C2248 7.169 40.365 18.904 0.00 0.00 -ATOM 6743 H1 H2O C2248 6.628 40.878 19.571 0.00 0.00 -ATOM 6744 H2 H2O C2248 7.823 40.980 18.462 0.00 0.00 -ATOM 6745 O1 H2O C2249 57.423 39.193 9.601 0.00 0.00 -ATOM 6746 H1 H2O C2249 57.061 39.542 10.465 0.00 0.00 -ATOM 6747 H2 H2O C2249 57.899 38.328 9.764 0.00 0.00 -ATOM 6748 O1 H2O C2250 20.513 49.325 0.981 0.00 0.00 -ATOM 6749 H1 H2O C2250 19.655 48.816 1.044 0.00 0.00 -ATOM 6750 H2 H2O C2250 21.068 48.953 0.237 0.00 0.00 -ATOM 6751 O1 H2O C2251 45.588 41.534 25.311 0.00 0.00 -ATOM 6752 H1 H2O C2251 46.397 42.021 24.982 0.00 0.00 -ATOM 6753 H2 H2O C2251 45.302 40.864 24.625 0.00 0.00 -ATOM 6754 O1 H2O C2252 58.904 9.111 42.929 0.00 0.00 -ATOM 6755 H1 H2O C2252 59.601 9.751 43.254 0.00 0.00 -ATOM 6756 H2 H2O C2252 58.071 9.615 42.699 0.00 0.00 -ATOM 6757 O1 H2O C2253 13.381 46.050 55.120 0.00 0.00 -ATOM 6758 H1 H2O C2253 13.313 45.574 54.244 0.00 0.00 -ATOM 6759 H2 H2O C2253 12.575 46.628 55.249 0.00 0.00 -ATOM 6760 O1 H2O C2254 7.423 15.681 50.217 0.00 0.00 -ATOM 6761 H1 H2O C2254 8.052 15.486 49.463 0.00 0.00 -ATOM 6762 H2 H2O C2254 7.944 15.985 51.015 0.00 0.00 -ATOM 6763 O1 H2O C2255 46.406 43.050 56.620 0.00 0.00 -ATOM 6764 H1 H2O C2255 45.695 43.537 56.112 0.00 0.00 -ATOM 6765 H2 H2O C2255 46.245 43.154 57.601 0.00 0.00 -ATOM 6766 O1 H2O C2256 51.604 5.950 13.860 0.00 0.00 -ATOM 6767 H1 H2O C2256 51.445 6.279 12.929 0.00 0.00 -ATOM 6768 H2 H2O C2256 50.727 5.823 14.323 0.00 0.00 -ATOM 6769 O1 H2O C2257 39.419 15.133 27.447 0.00 0.00 -ATOM 6770 H1 H2O C2257 40.027 14.929 26.679 0.00 0.00 -ATOM 6771 H2 H2O C2257 39.609 14.502 28.199 0.00 0.00 -ATOM 6772 O1 H2O C2258 30.015 58.004 0.540 0.00 0.00 -ATOM 6773 H1 H2O C2258 29.152 57.749 0.101 0.00 0.00 -ATOM 6774 H2 H2O C2258 30.233 57.339 1.255 0.00 0.00 -ATOM 6775 O1 H2O C2259 10.745 34.713 0.294 0.00 0.00 -ATOM 6776 H1 H2O C2259 10.947 33.883 -0.227 0.00 0.00 -ATOM 6777 H2 H2O C2259 9.879 35.100 -0.020 0.00 0.00 -ATOM 6778 O1 H2O C2260 26.253 34.107 3.033 0.00 0.00 -ATOM 6779 H1 H2O C2260 25.576 34.044 2.300 0.00 0.00 -ATOM 6780 H2 H2O C2260 27.046 33.542 2.804 0.00 0.00 -ATOM 6781 O1 H2O C2261 37.268 9.849 23.487 0.00 0.00 -ATOM 6782 H1 H2O C2261 36.801 10.612 23.934 0.00 0.00 -ATOM 6783 H2 H2O C2261 36.879 8.985 23.808 0.00 0.00 -ATOM 6784 O1 H2O C2262 49.862 10.150 3.998 0.00 0.00 -ATOM 6785 H1 H2O C2262 50.045 10.992 4.508 0.00 0.00 -ATOM 6786 H2 H2O C2262 50.717 9.807 3.606 0.00 0.00 -ATOM 6787 O1 H2O C2263 46.121 54.942 30.940 0.00 0.00 -ATOM 6788 H1 H2O C2263 46.433 55.149 30.013 0.00 0.00 -ATOM 6789 H2 H2O C2263 45.853 53.980 30.994 0.00 0.00 -ATOM 6790 O1 H2O C2264 23.183 -0.020 20.061 0.00 0.00 -ATOM 6791 H1 H2O C2264 23.854 0.071 19.324 0.00 0.00 -ATOM 6792 H2 H2O C2264 23.636 0.120 20.942 0.00 0.00 -ATOM 6793 O1 H2O C2265 16.256 34.261 5.165 0.00 0.00 -ATOM 6794 H1 H2O C2265 15.934 35.198 5.028 0.00 0.00 -ATOM 6795 H2 H2O C2265 17.076 34.106 4.614 0.00 0.00 -ATOM 6796 O1 H2O C2266 20.474 5.425 46.647 0.00 0.00 -ATOM 6797 H1 H2O C2266 20.162 6.124 47.291 0.00 0.00 -ATOM 6798 H2 H2O C2266 19.689 4.901 46.317 0.00 0.00 -ATOM 6799 O1 H2O C2267 45.509 31.320 41.332 0.00 0.00 -ATOM 6800 H1 H2O C2267 45.432 30.481 41.871 0.00 0.00 -ATOM 6801 H2 H2O C2267 45.001 31.214 40.477 0.00 0.00 -ATOM 6802 O1 H2O C2268 32.021 34.786 41.177 0.00 0.00 -ATOM 6803 H1 H2O C2268 31.425 34.332 40.514 0.00 0.00 -ATOM 6804 H2 H2O C2268 32.970 34.726 40.867 0.00 0.00 -ATOM 6805 O1 H2O C2269 34.005 37.230 8.721 0.00 0.00 -ATOM 6806 H1 H2O C2269 34.719 37.203 9.421 0.00 0.00 -ATOM 6807 H2 H2O C2269 33.135 36.944 9.122 0.00 0.00 -ATOM 6808 O1 H2O C2270 44.107 39.927 20.733 0.00 0.00 -ATOM 6809 H1 H2O C2270 45.089 40.108 20.673 0.00 0.00 -ATOM 6810 H2 H2O C2270 43.803 39.456 19.905 0.00 0.00 -ATOM 6811 O1 H2O C2271 35.414 1.306 22.822 0.00 0.00 -ATOM 6812 H1 H2O C2271 34.719 0.807 22.304 0.00 0.00 -ATOM 6813 H2 H2O C2271 35.503 2.232 22.454 0.00 0.00 -ATOM 6814 O1 H2O C2272 3.119 21.809 58.750 0.00 0.00 -ATOM 6815 H1 H2O C2272 3.140 22.249 57.853 0.00 0.00 -ATOM 6816 H2 H2O C2272 2.172 21.736 59.063 0.00 0.00 -ATOM 6817 O1 H2O C2273 22.179 14.880 9.393 0.00 0.00 -ATOM 6818 H1 H2O C2273 21.466 14.308 8.987 0.00 0.00 -ATOM 6819 H2 H2O C2273 21.757 15.578 9.972 0.00 0.00 -ATOM 6820 O1 H2O C2274 37.118 59.864 27.626 0.00 0.00 -ATOM 6821 H1 H2O C2274 36.498 59.294 28.165 0.00 0.00 -ATOM 6822 H2 H2O C2274 38.032 59.458 27.628 0.00 0.00 -ATOM 6823 O1 H2O C2275 50.415 49.181 23.427 0.00 0.00 -ATOM 6824 H1 H2O C2275 50.522 49.663 24.297 0.00 0.00 -ATOM 6825 H2 H2O C2275 49.680 49.605 22.899 0.00 0.00 -ATOM 6826 O1 H2O C2276 17.047 32.551 38.295 0.00 0.00 -ATOM 6827 H1 H2O C2276 16.062 32.382 38.297 0.00 0.00 -ATOM 6828 H2 H2O C2276 17.233 33.439 38.716 0.00 0.00 -ATOM 6829 O1 H2O C2277 16.099 33.942 20.185 0.00 0.00 -ATOM 6830 H1 H2O C2277 16.092 34.940 20.122 0.00 0.00 -ATOM 6831 H2 H2O C2277 16.029 33.550 19.268 0.00 0.00 -ATOM 6832 O1 H2O C2278 40.870 36.419 29.406 0.00 0.00 -ATOM 6833 H1 H2O C2278 41.289 37.327 29.389 0.00 0.00 -ATOM 6834 H2 H2O C2278 40.793 36.105 30.352 0.00 0.00 -ATOM 6835 O1 H2O C2279 48.609 15.895 7.186 0.00 0.00 -ATOM 6836 H1 H2O C2279 48.831 15.211 7.881 0.00 0.00 -ATOM 6837 H2 H2O C2279 49.272 16.642 7.229 0.00 0.00 -ATOM 6838 O1 H2O C2280 42.085 24.161 31.819 0.00 0.00 -ATOM 6839 H1 H2O C2280 41.280 24.487 32.315 0.00 0.00 -ATOM 6840 H2 H2O C2280 42.229 23.192 32.018 0.00 0.00 -ATOM 6841 O1 H2O C2281 17.345 44.452 42.404 0.00 0.00 -ATOM 6842 H1 H2O C2281 17.809 43.569 42.330 0.00 0.00 -ATOM 6843 H2 H2O C2281 17.825 45.128 41.846 0.00 0.00 -ATOM 6844 O1 H2O C2282 19.323 32.987 41.510 0.00 0.00 -ATOM 6845 H1 H2O C2282 20.286 33.166 41.712 0.00 0.00 -ATOM 6846 H2 H2O C2282 18.754 33.664 41.977 0.00 0.00 -ATOM 6847 O1 H2O C2283 19.918 36.987 19.737 0.00 0.00 -ATOM 6848 H1 H2O C2283 19.074 36.451 19.731 0.00 0.00 -ATOM 6849 H2 H2O C2283 20.420 36.809 20.584 0.00 0.00 -ATOM 6850 O1 H2O C2284 26.816 47.195 24.038 0.00 0.00 -ATOM 6851 H1 H2O C2284 25.861 47.069 24.309 0.00 0.00 -ATOM 6852 H2 H2O C2284 26.875 47.926 23.358 0.00 0.00 -ATOM 6853 O1 H2O C2285 34.458 49.669 4.780 0.00 0.00 -ATOM 6854 H1 H2O C2285 34.525 50.664 4.719 0.00 0.00 -ATOM 6855 H2 H2O C2285 34.840 49.361 5.651 0.00 0.00 -ATOM 6856 O1 H2O C2286 21.639 50.864 59.291 0.00 0.00 -ATOM 6857 H1 H2O C2286 21.883 50.441 60.164 0.00 0.00 -ATOM 6858 H2 H2O C2286 22.455 51.266 58.876 0.00 0.00 -ATOM 6859 O1 H2O C2287 12.542 23.356 19.469 0.00 0.00 -ATOM 6860 H1 H2O C2287 11.739 23.224 18.888 0.00 0.00 -ATOM 6861 H2 H2O C2287 13.336 23.564 18.898 0.00 0.00 -ATOM 6862 O1 H2O C2288 29.750 2.122 59.872 0.00 0.00 -ATOM 6863 H1 H2O C2288 30.465 1.922 59.202 0.00 0.00 -ATOM 6864 H2 H2O C2288 28.908 2.375 59.395 0.00 0.00 -ATOM 6865 O1 H2O C2289 20.586 60.097 32.099 0.00 0.00 -ATOM 6866 H1 H2O C2289 21.136 59.266 32.005 0.00 0.00 -ATOM 6867 H2 H2O C2289 19.666 59.854 32.405 0.00 0.00 -ATOM 6868 O1 H2O C2290 30.539 9.983 4.141 0.00 0.00 -ATOM 6869 H1 H2O C2290 30.825 9.524 3.299 0.00 0.00 -ATOM 6870 H2 H2O C2290 31.326 10.073 4.753 0.00 0.00 -ATOM 6871 O1 H2O C2291 7.248 15.294 22.711 0.00 0.00 -ATOM 6872 H1 H2O C2291 6.553 15.994 22.873 0.00 0.00 -ATOM 6873 H2 H2O C2291 6.928 14.417 23.070 0.00 0.00 -ATOM 6874 O1 H2O C2292 48.147 13.758 32.571 0.00 0.00 -ATOM 6875 H1 H2O C2292 48.586 14.640 32.400 0.00 0.00 -ATOM 6876 H2 H2O C2292 47.386 13.882 33.207 0.00 0.00 -ATOM 6877 O1 H2O C2293 45.284 58.313 53.565 0.00 0.00 -ATOM 6878 H1 H2O C2293 45.401 57.724 52.766 0.00 0.00 -ATOM 6879 H2 H2O C2293 44.672 57.870 54.220 0.00 0.00 -ATOM 6880 O1 H2O C2294 6.825 49.174 15.729 0.00 0.00 -ATOM 6881 H1 H2O C2294 6.699 48.554 16.504 0.00 0.00 -ATOM 6882 H2 H2O C2294 7.114 48.651 14.927 0.00 0.00 -ATOM 6883 O1 H2O C2295 44.966 53.226 56.414 0.00 0.00 -ATOM 6884 H1 H2O C2295 45.873 53.591 56.201 0.00 0.00 -ATOM 6885 H2 H2O C2295 44.411 53.941 56.840 0.00 0.00 -ATOM 6886 O1 H2O C2296 23.560 18.570 47.319 0.00 0.00 -ATOM 6887 H1 H2O C2296 22.644 18.630 46.923 0.00 0.00 -ATOM 6888 H2 H2O C2296 23.827 19.463 47.682 0.00 0.00 -ATOM 6889 O1 H2O C2297 28.292 18.334 13.622 0.00 0.00 -ATOM 6890 H1 H2O C2297 29.177 18.655 13.960 0.00 0.00 -ATOM 6891 H2 H2O C2297 28.414 17.465 13.142 0.00 0.00 -ATOM 6892 O1 H2O C2298 17.126 46.841 58.021 0.00 0.00 -ATOM 6893 H1 H2O C2298 17.837 46.139 58.066 0.00 0.00 -ATOM 6894 H2 H2O C2298 16.278 46.434 57.682 0.00 0.00 -ATOM 6895 O1 H2O C2299 48.708 2.752 18.441 0.00 0.00 -ATOM 6896 H1 H2O C2299 48.188 1.937 18.186 0.00 0.00 -ATOM 6897 H2 H2O C2299 48.849 3.324 17.633 0.00 0.00 -ATOM 6898 O1 H2O C2300 58.579 5.993 27.499 0.00 0.00 -ATOM 6899 H1 H2O C2300 58.124 5.583 26.709 0.00 0.00 -ATOM 6900 H2 H2O C2300 59.303 5.384 27.820 0.00 0.00 -ATOM 6901 O1 H2O C2301 47.968 22.426 21.459 0.00 0.00 -ATOM 6902 H1 H2O C2301 48.164 23.124 22.148 0.00 0.00 -ATOM 6903 H2 H2O C2301 48.688 21.732 21.474 0.00 0.00 -ATOM 6904 O1 H2O C2302 5.316 25.973 1.404 0.00 0.00 -ATOM 6905 H1 H2O C2302 5.688 25.873 0.481 0.00 0.00 -ATOM 6906 H2 H2O C2302 6.051 26.228 2.033 0.00 0.00 -ATOM 6907 O1 H2O C2303 24.981 58.628 49.330 0.00 0.00 -ATOM 6908 H1 H2O C2303 24.203 58.006 49.417 0.00 0.00 -ATOM 6909 H2 H2O C2303 25.520 58.376 48.526 0.00 0.00 -ATOM 6910 O1 H2O C2304 0.301 55.557 34.596 0.00 0.00 -ATOM 6911 H1 H2O C2304 -0.022 55.714 35.529 0.00 0.00 -ATOM 6912 H2 H2O C2304 1.275 55.331 34.614 0.00 0.00 -ATOM 6913 O1 H2O C2305 19.086 53.476 45.251 0.00 0.00 -ATOM 6914 H1 H2O C2305 18.486 53.349 44.461 0.00 0.00 -ATOM 6915 H2 H2O C2305 18.533 53.674 46.061 0.00 0.00 -ATOM 6916 O1 H2O C2306 50.504 51.886 27.963 0.00 0.00 -ATOM 6917 H1 H2O C2306 50.520 50.966 27.571 0.00 0.00 -ATOM 6918 H2 H2O C2306 51.162 51.940 28.714 0.00 0.00 -ATOM 6919 O1 H2O C2307 35.455 36.455 2.002 0.00 0.00 -ATOM 6920 H1 H2O C2307 34.850 36.561 1.214 0.00 0.00 -ATOM 6921 H2 H2O C2307 36.218 37.098 1.926 0.00 0.00 -ATOM 6922 O1 H2O C2308 53.671 9.944 46.728 0.00 0.00 -ATOM 6923 H1 H2O C2308 53.479 10.863 47.075 0.00 0.00 -ATOM 6924 H2 H2O C2308 53.393 9.267 47.410 0.00 0.00 -ATOM 6925 O1 H2O C2309 2.298 48.371 10.221 0.00 0.00 -ATOM 6926 H1 H2O C2309 1.761 48.292 9.381 0.00 0.00 -ATOM 6927 H2 H2O C2309 2.246 49.310 10.562 0.00 0.00 -ATOM 6928 O1 H2O C2310 33.440 27.584 38.987 0.00 0.00 -ATOM 6929 H1 H2O C2310 33.110 28.384 39.488 0.00 0.00 -ATOM 6930 H2 H2O C2310 32.662 27.016 38.717 0.00 0.00 -ATOM 6931 O1 H2O C2311 51.453 49.266 40.125 0.00 0.00 -ATOM 6932 H1 H2O C2311 51.240 48.726 40.939 0.00 0.00 -ATOM 6933 H2 H2O C2311 50.639 49.337 39.549 0.00 0.00 -ATOM 6934 O1 H2O C2312 6.099 54.943 24.348 0.00 0.00 -ATOM 6935 H1 H2O C2312 6.520 54.037 24.290 0.00 0.00 -ATOM 6936 H2 H2O C2312 6.681 55.611 23.883 0.00 0.00 -ATOM 6937 O1 H2O C2313 32.056 46.435 8.571 0.00 0.00 -ATOM 6938 H1 H2O C2313 31.854 47.353 8.910 0.00 0.00 -ATOM 6939 H2 H2O C2313 31.328 45.808 8.851 0.00 0.00 -ATOM 6940 O1 H2O C2314 4.987 25.936 16.016 0.00 0.00 -ATOM 6941 H1 H2O C2314 4.807 26.316 16.923 0.00 0.00 -ATOM 6942 H2 H2O C2314 5.620 25.166 16.097 0.00 0.00 -ATOM 6943 O1 H2O C2315 8.350 26.513 59.798 0.00 0.00 -ATOM 6944 H1 H2O C2315 8.303 26.116 58.881 0.00 0.00 -ATOM 6945 H2 H2O C2315 7.715 27.282 59.862 0.00 0.00 -ATOM 6946 O1 H2O C2316 4.585 57.288 18.559 0.00 0.00 -ATOM 6947 H1 H2O C2316 4.518 58.138 19.081 0.00 0.00 -ATOM 6948 H2 H2O C2316 5.517 56.929 18.624 0.00 0.00 -ATOM 6949 O1 H2O C2317 18.794 51.245 45.709 0.00 0.00 -ATOM 6950 H1 H2O C2317 19.679 51.414 45.275 0.00 0.00 -ATOM 6951 H2 H2O C2317 18.467 50.335 45.454 0.00 0.00 -ATOM 6952 O1 H2O C2318 15.567 49.963 25.424 0.00 0.00 -ATOM 6953 H1 H2O C2318 15.670 50.904 25.746 0.00 0.00 -ATOM 6954 H2 H2O C2318 16.425 49.467 25.563 0.00 0.00 -ATOM 6955 O1 H2O C2319 52.458 14.781 35.436 0.00 0.00 -ATOM 6956 H1 H2O C2319 51.578 14.561 35.013 0.00 0.00 -ATOM 6957 H2 H2O C2319 53.198 14.401 34.880 0.00 0.00 -ATOM 6958 O1 H2O C2320 33.143 26.920 20.288 0.00 0.00 -ATOM 6959 H1 H2O C2320 32.378 26.558 19.756 0.00 0.00 -ATOM 6960 H2 H2O C2320 33.522 26.195 20.863 0.00 0.00 -ATOM 6961 O1 H2O C2321 47.050 44.201 11.636 0.00 0.00 -ATOM 6962 H1 H2O C2321 47.130 45.160 11.363 0.00 0.00 -ATOM 6963 H2 H2O C2321 46.612 44.145 12.533 0.00 0.00 -ATOM 6964 O1 H2O C2322 0.897 49.348 47.666 0.00 0.00 -ATOM 6965 H1 H2O C2322 0.443 48.824 48.386 0.00 0.00 -ATOM 6966 H2 H2O C2322 0.342 50.147 47.434 0.00 0.00 -ATOM 6967 O1 H2O C2323 58.350 45.774 55.544 0.00 0.00 -ATOM 6968 H1 H2O C2323 58.902 45.365 56.271 0.00 0.00 -ATOM 6969 H2 H2O C2323 57.479 45.289 55.474 0.00 0.00 -ATOM 6970 O1 H2O C2324 52.946 26.138 36.276 0.00 0.00 -ATOM 6971 H1 H2O C2324 52.933 26.806 35.532 0.00 0.00 -ATOM 6972 H2 H2O C2324 53.837 26.162 36.730 0.00 0.00 -ATOM 6973 O1 H2O C2325 16.160 23.020 58.678 0.00 0.00 -ATOM 6974 H1 H2O C2325 16.094 24.016 58.734 0.00 0.00 -ATOM 6975 H2 H2O C2325 16.275 22.642 59.596 0.00 0.00 -ATOM 6976 O1 H2O C2326 29.600 57.644 53.635 0.00 0.00 -ATOM 6977 H1 H2O C2326 30.445 57.784 53.119 0.00 0.00 -ATOM 6978 H2 H2O C2326 28.850 58.126 53.182 0.00 0.00 -ATOM 6979 O1 H2O C2327 51.145 2.036 54.961 0.00 0.00 -ATOM 6980 H1 H2O C2327 51.406 2.980 54.759 0.00 0.00 -ATOM 6981 H2 H2O C2327 50.317 2.033 55.522 0.00 0.00 -ATOM 6982 O1 H2O C2328 54.667 55.804 6.008 0.00 0.00 -ATOM 6983 H1 H2O C2328 53.869 55.389 6.445 0.00 0.00 -ATOM 6984 H2 H2O C2328 54.457 56.003 5.051 0.00 0.00 -ATOM 6985 O1 H2O C2329 43.321 54.453 38.277 0.00 0.00 -ATOM 6986 H1 H2O C2329 43.713 54.095 37.429 0.00 0.00 -ATOM 6987 H2 H2O C2329 43.281 55.451 38.231 0.00 0.00 -ATOM 6988 O1 H2O C2330 51.620 33.032 25.933 0.00 0.00 -ATOM 6989 H1 H2O C2330 50.987 32.625 26.592 0.00 0.00 -ATOM 6990 H2 H2O C2330 51.520 32.575 25.049 0.00 0.00 -ATOM 6991 O1 H2O C2331 27.851 30.045 27.853 0.00 0.00 -ATOM 6992 H1 H2O C2331 28.439 30.737 28.271 0.00 0.00 -ATOM 6993 H2 H2O C2331 27.848 29.223 28.421 0.00 0.00 -ATOM 6994 O1 H2O C2332 55.822 11.992 26.104 0.00 0.00 -ATOM 6995 H1 H2O C2332 56.189 11.404 25.383 0.00 0.00 -ATOM 6996 H2 H2O C2332 55.309 11.437 26.758 0.00 0.00 -ATOM 6997 O1 H2O C2333 54.585 40.004 55.756 0.00 0.00 -ATOM 6998 H1 H2O C2333 53.872 40.413 55.186 0.00 0.00 -ATOM 6999 H2 H2O C2333 55.484 40.288 55.421 0.00 0.00 -ATOM 7000 O1 H2O C2334 39.330 18.335 50.146 0.00 0.00 -ATOM 7001 H1 H2O C2334 38.449 18.127 49.721 0.00 0.00 -ATOM 7002 H2 H2O C2334 39.488 19.322 50.121 0.00 0.00 -ATOM 7003 O1 H2O C2335 27.011 36.449 37.371 0.00 0.00 -ATOM 7004 H1 H2O C2335 26.221 36.888 37.800 0.00 0.00 -ATOM 7005 H2 H2O C2335 26.725 35.590 36.946 0.00 0.00 -ATOM 7006 O1 H2O C2336 19.712 22.785 12.348 0.00 0.00 -ATOM 7007 H1 H2O C2336 18.862 23.232 12.068 0.00 0.00 -ATOM 7008 H2 H2O C2336 19.800 21.910 11.872 0.00 0.00 -ATOM 7009 O1 H2O C2337 2.669 6.055 15.243 0.00 0.00 -ATOM 7010 H1 H2O C2337 2.337 5.900 16.174 0.00 0.00 -ATOM 7011 H2 H2O C2337 3.023 6.987 15.166 0.00 0.00 -ATOM 7012 O1 H2O C2338 19.600 25.417 43.432 0.00 0.00 -ATOM 7013 H1 H2O C2338 18.988 24.814 43.943 0.00 0.00 -ATOM 7014 H2 H2O C2338 19.276 25.499 42.489 0.00 0.00 -ATOM 7015 O1 H2O C2339 9.574 28.894 28.187 0.00 0.00 -ATOM 7016 H1 H2O C2339 10.037 29.353 27.428 0.00 0.00 -ATOM 7017 H2 H2O C2339 10.215 28.277 28.644 0.00 0.00 -ATOM 7018 O1 H2O C2340 1.625 7.891 12.316 0.00 0.00 -ATOM 7019 H1 H2O C2340 1.838 7.149 12.953 0.00 0.00 -ATOM 7020 H2 H2O C2340 0.648 8.098 12.361 0.00 0.00 -ATOM 7021 O1 H2O C2341 12.155 18.430 47.014 0.00 0.00 -ATOM 7022 H1 H2O C2341 11.701 19.088 46.414 0.00 0.00 -ATOM 7023 H2 H2O C2341 13.111 18.696 47.138 0.00 0.00 -ATOM 7024 O1 H2O C2342 11.702 1.172 28.105 0.00 0.00 -ATOM 7025 H1 H2O C2342 12.656 1.240 27.814 0.00 0.00 -ATOM 7026 H2 H2O C2342 11.633 0.545 28.880 0.00 0.00 -ATOM 7027 O1 H2O C2343 31.000 38.015 52.119 0.00 0.00 -ATOM 7028 H1 H2O C2343 30.863 38.861 52.634 0.00 0.00 -ATOM 7029 H2 H2O C2343 30.741 38.159 51.164 0.00 0.00 -ATOM 7030 O1 H2O C2344 23.350 18.161 47.610 0.00 0.00 -ATOM 7031 H1 H2O C2344 22.386 18.002 47.397 0.00 0.00 -ATOM 7032 H2 H2O C2344 23.916 17.854 46.845 0.00 0.00 -ATOM 7033 O1 H2O C2345 15.075 43.294 35.419 0.00 0.00 -ATOM 7034 H1 H2O C2345 15.116 42.296 35.457 0.00 0.00 -ATOM 7035 H2 H2O C2345 14.291 43.574 34.864 0.00 0.00 -ATOM 7036 O1 H2O C2346 51.636 29.010 26.517 0.00 0.00 -ATOM 7037 H1 H2O C2346 52.399 28.653 27.056 0.00 0.00 -ATOM 7038 H2 H2O C2346 51.171 28.255 26.055 0.00 0.00 -ATOM 7039 O1 H2O C2347 24.537 48.352 25.367 0.00 0.00 -ATOM 7040 H1 H2O C2347 24.827 48.168 24.428 0.00 0.00 -ATOM 7041 H2 H2O C2347 24.005 47.577 25.709 0.00 0.00 -ATOM 7042 O1 H2O C2348 20.103 24.869 7.048 0.00 0.00 -ATOM 7043 H1 H2O C2348 20.622 24.084 6.710 0.00 0.00 -ATOM 7044 H2 H2O C2348 20.687 25.680 7.051 0.00 0.00 -ATOM 7045 O1 H2O C2349 20.238 45.008 39.982 0.00 0.00 -ATOM 7046 H1 H2O C2349 20.894 44.908 39.234 0.00 0.00 -ATOM 7047 H2 H2O C2349 20.456 44.355 40.707 0.00 0.00 -ATOM 7048 O1 H2O C2350 3.491 47.836 59.191 0.00 0.00 -ATOM 7049 H1 H2O C2350 3.302 47.409 58.306 0.00 0.00 -ATOM 7050 H2 H2O C2350 3.373 47.160 59.919 0.00 0.00 -ATOM 7051 O1 H2O C2351 28.987 50.118 20.311 0.00 0.00 -ATOM 7052 H1 H2O C2351 29.612 49.861 19.574 0.00 0.00 -ATOM 7053 H2 H2O C2351 29.384 49.858 21.191 0.00 0.00 -ATOM 7054 O1 H2O C2352 46.205 35.925 56.791 0.00 0.00 -ATOM 7055 H1 H2O C2352 45.528 35.526 56.172 0.00 0.00 -ATOM 7056 H2 H2O C2352 46.481 36.823 56.449 0.00 0.00 -ATOM 7057 O1 H2O C2353 22.041 52.847 52.176 0.00 0.00 -ATOM 7058 H1 H2O C2353 22.582 52.381 51.476 0.00 0.00 -ATOM 7059 H2 H2O C2353 22.490 52.749 53.064 0.00 0.00 -ATOM 7060 O1 H2O C2354 50.712 44.960 52.784 0.00 0.00 -ATOM 7061 H1 H2O C2354 51.135 45.215 51.914 0.00 0.00 -ATOM 7062 H2 H2O C2354 49.902 45.526 52.938 0.00 0.00 -ATOM 7063 O1 H2O C2355 11.779 9.141 4.828 0.00 0.00 -ATOM 7064 H1 H2O C2355 11.797 10.062 4.440 0.00 0.00 -ATOM 7065 H2 H2O C2355 10.867 8.748 4.714 0.00 0.00 -ATOM 7066 O1 H2O C2356 43.653 26.310 2.475 0.00 0.00 -ATOM 7067 H1 H2O C2356 42.878 26.817 2.853 0.00 0.00 -ATOM 7068 H2 H2O C2356 43.990 26.776 1.657 0.00 0.00 -ATOM 7069 O1 H2O C2357 55.830 53.267 26.642 0.00 0.00 -ATOM 7070 H1 H2O C2357 56.233 53.688 27.455 0.00 0.00 -ATOM 7071 H2 H2O C2357 54.881 53.015 26.833 0.00 0.00 -ATOM 7072 O1 H2O C2358 6.190 44.375 16.973 0.00 0.00 -ATOM 7073 H1 H2O C2358 5.831 43.955 17.806 0.00 0.00 -ATOM 7074 H2 H2O C2358 6.362 45.347 17.137 0.00 0.00 -ATOM 7075 O1 H2O C2359 10.588 18.143 37.133 0.00 0.00 -ATOM 7076 H1 H2O C2359 9.811 17.674 36.713 0.00 0.00 -ATOM 7077 H2 H2O C2359 11.310 18.267 36.452 0.00 0.00 -ATOM 7078 O1 H2O C2360 48.800 16.486 45.403 0.00 0.00 -ATOM 7079 H1 H2O C2360 47.987 16.032 45.039 0.00 0.00 -ATOM 7080 H2 H2O C2360 49.496 16.546 44.687 0.00 0.00 -ATOM 7081 O1 H2O C2361 41.725 27.836 37.355 0.00 0.00 -ATOM 7082 H1 H2O C2361 41.376 28.604 36.818 0.00 0.00 -ATOM 7083 H2 H2O C2361 42.636 28.058 37.701 0.00 0.00 -ATOM 7084 O1 H2O C2362 35.363 26.341 35.117 0.00 0.00 -ATOM 7085 H1 H2O C2362 35.436 27.260 34.728 0.00 0.00 -ATOM 7086 H2 H2O C2362 35.099 25.696 34.401 0.00 0.00 -ATOM 7087 O1 H2O C2363 22.979 22.003 42.902 0.00 0.00 -ATOM 7088 H1 H2O C2363 22.521 22.798 43.300 0.00 0.00 -ATOM 7089 H2 H2O C2363 23.866 22.280 42.531 0.00 0.00 -ATOM 7090 O1 H2O C2364 8.663 47.337 24.082 0.00 0.00 -ATOM 7091 H1 H2O C2364 8.989 46.723 23.363 0.00 0.00 -ATOM 7092 H2 H2O C2364 9.018 48.258 23.921 0.00 0.00 -ATOM 7093 O1 H2O C2365 46.016 44.559 48.498 0.00 0.00 -ATOM 7094 H1 H2O C2365 45.060 44.481 48.779 0.00 0.00 -ATOM 7095 H2 H2O C2365 46.610 44.372 49.281 0.00 0.00 -ATOM 7096 O1 H2O C2366 34.435 37.233 25.626 0.00 0.00 -ATOM 7097 H1 H2O C2366 35.413 37.050 25.528 0.00 0.00 -ATOM 7098 H2 H2O C2366 33.926 36.376 25.549 0.00 0.00 -ATOM 7099 O1 H2O C2367 35.759 12.067 29.287 0.00 0.00 -ATOM 7100 H1 H2O C2367 36.296 11.238 29.132 0.00 0.00 -ATOM 7101 H2 H2O C2367 35.118 11.914 30.039 0.00 0.00 -ATOM 7102 O1 H2O C2368 37.770 12.045 25.784 0.00 0.00 -ATOM 7103 H1 H2O C2368 38.716 12.369 25.825 0.00 0.00 -ATOM 7104 H2 H2O C2368 37.334 12.393 24.954 0.00 0.00 -ATOM 7105 O1 H2O C2369 8.456 45.072 44.669 0.00 0.00 -ATOM 7106 H1 H2O C2369 8.041 45.141 43.762 0.00 0.00 -ATOM 7107 H2 H2O C2369 8.672 44.116 44.865 0.00 0.00 -ATOM 7108 O1 H2O C2370 42.579 16.714 55.327 0.00 0.00 -ATOM 7109 H1 H2O C2370 42.513 16.216 54.463 0.00 0.00 -ATOM 7110 H2 H2O C2370 43.361 16.374 55.850 0.00 0.00 -ATOM 7111 O1 H2O C2371 33.778 52.815 27.784 0.00 0.00 -ATOM 7112 H1 H2O C2371 34.434 52.250 28.285 0.00 0.00 -ATOM 7113 H2 H2O C2371 34.021 53.780 27.888 0.00 0.00 -ATOM 7114 O1 H2O C2372 36.682 45.017 12.005 0.00 0.00 -ATOM 7115 H1 H2O C2372 37.211 44.740 12.806 0.00 0.00 -ATOM 7116 H2 H2O C2372 36.860 45.981 11.804 0.00 0.00 -ATOM 7117 O1 H2O C2373 53.031 39.694 4.809 0.00 0.00 -ATOM 7118 H1 H2O C2373 53.626 39.753 4.008 0.00 0.00 -ATOM 7119 H2 H2O C2373 53.007 40.579 5.273 0.00 0.00 -ATOM 7120 O1 H2O C2374 29.657 56.237 51.240 0.00 0.00 -ATOM 7121 H1 H2O C2374 30.354 56.169 50.526 0.00 0.00 -ATOM 7122 H2 H2O C2374 29.177 55.363 51.322 0.00 0.00 -ATOM 7123 O1 H2O C2375 15.938 20.349 38.654 0.00 0.00 -ATOM 7124 H1 H2O C2375 15.754 21.246 38.252 0.00 0.00 -ATOM 7125 H2 H2O C2375 15.200 20.110 39.286 0.00 0.00 -ATOM 7126 O1 H2O C2376 23.999 59.712 34.854 0.00 0.00 -ATOM 7127 H1 H2O C2376 23.688 59.626 35.801 0.00 0.00 -ATOM 7128 H2 H2O C2376 23.206 59.779 34.248 0.00 0.00 -ATOM 7129 O1 H2O C2377 20.020 12.564 48.295 0.00 0.00 -ATOM 7130 H1 H2O C2377 19.027 12.529 48.406 0.00 0.00 -ATOM 7131 H2 H2O C2377 20.430 12.992 49.101 0.00 0.00 -ATOM 7132 O1 H2O C2378 5.835 32.897 38.495 0.00 0.00 -ATOM 7133 H1 H2O C2378 5.164 32.348 38.994 0.00 0.00 -ATOM 7134 H2 H2O C2378 6.712 32.869 38.975 0.00 0.00 -ATOM 7135 O1 H2O C2379 20.831 10.165 4.881 0.00 0.00 -ATOM 7136 H1 H2O C2379 20.957 10.603 5.772 0.00 0.00 -ATOM 7137 H2 H2O C2379 20.163 9.426 4.965 0.00 0.00 -ATOM 7138 O1 H2O C2380 40.573 4.491 43.348 0.00 0.00 -ATOM 7139 H1 H2O C2380 40.026 5.106 42.781 0.00 0.00 -ATOM 7140 H2 H2O C2380 40.064 3.645 43.509 0.00 0.00 -ATOM 7141 O1 H2O C2381 23.552 0.670 12.224 0.00 0.00 -ATOM 7142 H1 H2O C2381 23.499 -0.259 12.590 0.00 0.00 -ATOM 7143 H2 H2O C2381 24.292 0.723 11.554 0.00 0.00 -ATOM 7144 O1 H2O C2382 16.404 58.853 15.728 0.00 0.00 -ATOM 7145 H1 H2O C2382 16.753 59.652 16.217 0.00 0.00 -ATOM 7146 H2 H2O C2382 16.889 58.755 14.859 0.00 0.00 -ATOM 7147 O1 H2O C2383 24.907 28.968 6.434 0.00 0.00 -ATOM 7148 H1 H2O C2383 23.964 29.270 6.577 0.00 0.00 -ATOM 7149 H2 H2O C2383 24.908 28.106 5.927 0.00 0.00 -ATOM 7150 O1 H2O C2384 13.709 25.786 49.755 0.00 0.00 -ATOM 7151 H1 H2O C2384 14.425 25.408 50.343 0.00 0.00 -ATOM 7152 H2 H2O C2384 12.856 25.283 49.905 0.00 0.00 -ATOM 7153 O1 H2O C2385 5.212 55.611 41.547 0.00 0.00 -ATOM 7154 H1 H2O C2385 4.371 55.270 41.966 0.00 0.00 -ATOM 7155 H2 H2O C2385 5.819 54.842 41.346 0.00 0.00 -ATOM 7156 O1 H2O C2386 54.342 48.820 16.072 0.00 0.00 -ATOM 7157 H1 H2O C2386 54.712 49.694 16.386 0.00 0.00 -ATOM 7158 H2 H2O C2386 54.126 48.880 15.098 0.00 0.00 -ATOM 7159 O1 H2O C2387 35.906 56.875 0.463 0.00 0.00 -ATOM 7160 H1 H2O C2387 35.944 55.988 0.003 0.00 0.00 -ATOM 7161 H2 H2O C2387 36.815 57.290 0.463 0.00 0.00 -ATOM 7162 O1 H2O C2388 2.952 7.431 33.459 0.00 0.00 -ATOM 7163 H1 H2O C2388 3.463 7.431 34.320 0.00 0.00 -ATOM 7164 H2 H2O C2388 3.207 8.235 32.922 0.00 0.00 -ATOM 7165 O1 H2O C2389 12.593 10.978 17.152 0.00 0.00 -ATOM 7166 H1 H2O C2389 11.876 10.561 17.711 0.00 0.00 -ATOM 7167 H2 H2O C2389 12.199 11.714 16.600 0.00 0.00 -ATOM 7168 O1 H2O C2390 21.067 38.689 16.442 0.00 0.00 -ATOM 7169 H1 H2O C2390 21.160 38.429 17.403 0.00 0.00 -ATOM 7170 H2 H2O C2390 20.480 39.496 16.370 0.00 0.00 -ATOM 7171 O1 H2O C2391 52.177 22.578 22.001 0.00 0.00 -ATOM 7172 H1 H2O C2391 52.047 22.377 22.972 0.00 0.00 -ATOM 7173 H2 H2O C2391 53.137 22.438 21.757 0.00 0.00 -ATOM 7174 O1 H2O C2392 31.482 34.295 24.805 0.00 0.00 -ATOM 7175 H1 H2O C2392 31.172 33.569 25.418 0.00 0.00 -ATOM 7176 H2 H2O C2392 30.710 34.622 24.259 0.00 0.00 -ATOM 7177 O1 H2O C2393 56.938 52.217 6.138 0.00 0.00 -ATOM 7178 H1 H2O C2393 56.288 52.207 5.378 0.00 0.00 -ATOM 7179 H2 H2O C2393 56.980 51.308 6.553 0.00 0.00 -ATOM 7180 O1 H2O C2394 49.523 12.066 53.457 0.00 0.00 -ATOM 7181 H1 H2O C2394 49.764 11.916 52.497 0.00 0.00 -ATOM 7182 H2 H2O C2394 50.328 12.392 53.954 0.00 0.00 -ATOM 7183 O1 H2O C2395 51.920 25.845 28.996 0.00 0.00 -ATOM 7184 H1 H2O C2395 51.281 25.145 29.315 0.00 0.00 -ATOM 7185 H2 H2O C2395 51.410 26.602 28.588 0.00 0.00 -ATOM 7186 O1 H2O C2396 24.623 21.488 40.904 0.00 0.00 -ATOM 7187 H1 H2O C2396 23.668 21.222 40.772 0.00 0.00 -ATOM 7188 H2 H2O C2396 25.085 20.803 41.466 0.00 0.00 -ATOM 7189 O1 H2O C2397 34.581 28.884 55.207 0.00 0.00 -ATOM 7190 H1 H2O C2397 34.253 29.607 54.599 0.00 0.00 -ATOM 7191 H2 H2O C2397 33.802 28.365 55.559 0.00 0.00 -ATOM 7192 O1 H2O C2398 7.109 55.886 19.529 0.00 0.00 -ATOM 7193 H1 H2O C2398 7.659 55.770 18.701 0.00 0.00 -ATOM 7194 H2 H2O C2398 6.423 56.597 19.376 0.00 0.00 -ATOM 7195 O1 H2O C2399 38.149 54.576 41.062 0.00 0.00 -ATOM 7196 H1 H2O C2399 37.815 55.380 41.555 0.00 0.00 -ATOM 7197 H2 H2O C2399 39.136 54.658 40.921 0.00 0.00 -ATOM 7198 O1 H2O C2400 0.354 33.789 36.182 0.00 0.00 -ATOM 7199 H1 H2O C2400 0.708 33.249 36.946 0.00 0.00 -ATOM 7200 H2 H2O C2400 -0.598 33.536 36.007 0.00 0.00 -ATOM 7201 O1 H2O C2401 7.823 36.607 58.291 0.00 0.00 -ATOM 7202 H1 H2O C2401 7.338 36.233 57.501 0.00 0.00 -ATOM 7203 H2 H2O C2401 8.794 36.377 58.225 0.00 0.00 -ATOM 7204 O1 H2O C2402 55.786 12.087 21.643 0.00 0.00 -ATOM 7205 H1 H2O C2402 55.304 11.211 21.596 0.00 0.00 -ATOM 7206 H2 H2O C2402 55.723 12.452 22.572 0.00 0.00 -ATOM 7207 O1 H2O C2403 20.820 15.545 60.122 0.00 0.00 -ATOM 7208 H1 H2O C2403 20.400 14.802 59.600 0.00 0.00 -ATOM 7209 H2 H2O C2403 20.304 16.389 59.975 0.00 0.00 -ATOM 7210 O1 H2O C2404 57.700 46.907 47.708 0.00 0.00 -ATOM 7211 H1 H2O C2404 56.842 46.853 47.198 0.00 0.00 -ATOM 7212 H2 H2O C2404 57.541 46.639 48.659 0.00 0.00 -ATOM 7213 O1 H2O C2405 52.689 54.283 31.166 0.00 0.00 -ATOM 7214 H1 H2O C2405 52.571 55.035 31.814 0.00 0.00 -ATOM 7215 H2 H2O C2405 52.331 53.439 31.566 0.00 0.00 -ATOM 7216 O1 H2O C2406 15.624 54.588 27.107 0.00 0.00 -ATOM 7217 H1 H2O C2406 15.114 55.159 26.463 0.00 0.00 -ATOM 7218 H2 H2O C2406 16.447 54.235 26.659 0.00 0.00 -ATOM 7219 O1 H2O C2407 16.721 51.154 51.690 0.00 0.00 -ATOM 7220 H1 H2O C2407 16.637 50.298 52.200 0.00 0.00 -ATOM 7221 H2 H2O C2407 15.964 51.761 51.930 0.00 0.00 -ATOM 7222 O1 H2O C2408 23.687 39.244 20.822 0.00 0.00 -ATOM 7223 H1 H2O C2408 23.398 39.709 21.659 0.00 0.00 -ATOM 7224 H2 H2O C2408 22.896 38.812 20.390 0.00 0.00 -ATOM 7225 O1 H2O C2409 15.269 6.583 11.863 0.00 0.00 -ATOM 7226 H1 H2O C2409 14.584 6.611 12.591 0.00 0.00 -ATOM 7227 H2 H2O C2409 16.123 6.207 12.224 0.00 0.00 -ATOM 7228 O1 H2O C2410 6.187 6.370 4.559 0.00 0.00 -ATOM 7229 H1 H2O C2410 7.153 6.620 4.627 0.00 0.00 -ATOM 7230 H2 H2O C2410 5.765 6.421 5.464 0.00 0.00 -ATOM 7231 O1 H2O C2411 23.851 9.051 59.234 0.00 0.00 -ATOM 7232 H1 H2O C2411 23.712 9.987 58.911 0.00 0.00 -ATOM 7233 H2 H2O C2411 23.771 9.027 60.230 0.00 0.00 -ATOM 7234 O1 H2O C2412 43.554 50.204 24.392 0.00 0.00 -ATOM 7235 H1 H2O C2412 43.135 51.080 24.152 0.00 0.00 -ATOM 7236 H2 H2O C2412 43.079 49.466 23.913 0.00 0.00 -ATOM 7237 O1 H2O C2413 34.339 32.496 37.204 0.00 0.00 -ATOM 7238 H1 H2O C2413 34.583 33.163 36.500 0.00 0.00 -ATOM 7239 H2 H2O C2413 33.797 32.944 37.915 0.00 0.00 -ATOM 7240 O1 H2O C2414 12.904 51.445 51.067 0.00 0.00 -ATOM 7241 H1 H2O C2414 13.894 51.581 51.025 0.00 0.00 -ATOM 7242 H2 H2O C2414 12.500 52.122 51.682 0.00 0.00 -ATOM 7243 O1 H2O C2415 3.072 48.028 34.565 0.00 0.00 -ATOM 7244 H1 H2O C2415 2.747 47.833 33.640 0.00 0.00 -ATOM 7245 H2 H2O C2415 3.425 47.188 34.978 0.00 0.00 -ATOM 7246 O1 H2O C2416 48.304 20.731 12.556 0.00 0.00 -ATOM 7247 H1 H2O C2416 48.813 19.886 12.391 0.00 0.00 -ATOM 7248 H2 H2O C2416 47.522 20.539 13.150 0.00 0.00 -ATOM 7249 O1 H2O C2417 14.644 20.419 12.168 0.00 0.00 -ATOM 7250 H1 H2O C2417 13.719 20.322 11.800 0.00 0.00 -ATOM 7251 H2 H2O C2417 15.309 20.319 11.428 0.00 0.00 -ATOM 7252 O1 H2O C2418 60.187 42.215 43.591 0.00 0.00 -ATOM 7253 H1 H2O C2418 59.737 42.965 44.076 0.00 0.00 -ATOM 7254 H2 H2O C2418 59.500 41.660 43.123 0.00 0.00 -ATOM 7255 O1 H2O C2419 33.183 28.168 27.018 0.00 0.00 -ATOM 7256 H1 H2O C2419 32.998 27.759 27.912 0.00 0.00 -ATOM 7257 H2 H2O C2419 33.425 29.131 27.136 0.00 0.00 -ATOM 7258 O1 H2O C2420 26.056 23.673 4.873 0.00 0.00 -ATOM 7259 H1 H2O C2420 27.016 23.897 4.701 0.00 0.00 -ATOM 7260 H2 H2O C2420 25.978 23.188 5.744 0.00 0.00 -ATOM 7261 O1 H2O C2421 24.376 48.038 12.262 0.00 0.00 -ATOM 7262 H1 H2O C2421 24.697 48.308 11.354 0.00 0.00 -ATOM 7263 H2 H2O C2421 24.701 48.697 12.940 0.00 0.00 -ATOM 7264 O1 H2O C2422 27.242 18.370 36.892 0.00 0.00 -ATOM 7265 H1 H2O C2422 26.413 18.784 36.514 0.00 0.00 -ATOM 7266 H2 H2O C2422 27.014 17.874 37.730 0.00 0.00 -ATOM 7267 O1 H2O C2423 22.996 47.020 22.659 0.00 0.00 -ATOM 7268 H1 H2O C2423 23.134 47.217 21.688 0.00 0.00 -ATOM 7269 H2 H2O C2423 22.930 47.878 23.167 0.00 0.00 -ATOM 7270 O1 H2O C2424 59.177 13.256 10.659 0.00 0.00 -ATOM 7271 H1 H2O C2424 58.414 12.773 10.229 0.00 0.00 -ATOM 7272 H2 H2O C2424 59.970 12.648 10.709 0.00 0.00 -ATOM 7273 O1 H2O C2425 5.003 45.736 18.180 0.00 0.00 -ATOM 7274 H1 H2O C2425 4.719 46.166 17.324 0.00 0.00 -ATOM 7275 H2 H2O C2425 5.532 46.389 18.722 0.00 0.00 -ATOM 7276 O1 H2O C2426 16.911 55.828 12.668 0.00 0.00 -ATOM 7277 H1 H2O C2426 16.716 55.746 13.646 0.00 0.00 -ATOM 7278 H2 H2O C2426 16.225 56.416 12.240 0.00 0.00 -ATOM 7279 O1 H2O C2427 0.495 49.369 5.780 0.00 0.00 -ATOM 7280 H1 H2O C2427 0.868 49.566 6.687 0.00 0.00 -ATOM 7281 H2 H2O C2427 0.829 48.480 5.468 0.00 0.00 -ATOM 7282 O1 H2O C2428 52.851 3.219 0.795 0.00 0.00 -ATOM 7283 H1 H2O C2428 52.231 3.558 0.087 0.00 0.00 -ATOM 7284 H2 H2O C2428 52.984 3.929 1.488 0.00 0.00 -ATOM 7285 O1 H2O C2429 52.572 23.117 18.993 0.00 0.00 -ATOM 7286 H1 H2O C2429 52.043 22.274 18.891 0.00 0.00 -ATOM 7287 H2 H2O C2429 52.955 23.378 18.107 0.00 0.00 -ATOM 7288 O1 H2O C2430 17.543 42.639 20.568 0.00 0.00 -ATOM 7289 H1 H2O C2430 16.548 42.671 20.664 0.00 0.00 -ATOM 7290 H2 H2O C2430 17.888 41.788 20.964 0.00 0.00 -ATOM 7291 O1 H2O C2431 14.593 9.260 11.022 0.00 0.00 -ATOM 7292 H1 H2O C2431 14.856 9.361 11.982 0.00 0.00 -ATOM 7293 H2 H2O C2431 14.365 8.304 10.838 0.00 0.00 -ATOM 7294 O1 H2O C2432 46.951 12.542 24.340 0.00 0.00 -ATOM 7295 H1 H2O C2432 47.604 11.973 23.841 0.00 0.00 -ATOM 7296 H2 H2O C2432 46.975 13.473 23.977 0.00 0.00 -ATOM 7297 O1 H2O C2433 36.472 36.925 56.264 0.00 0.00 -ATOM 7298 H1 H2O C2433 36.805 35.982 56.286 0.00 0.00 -ATOM 7299 H2 H2O C2433 36.384 37.269 57.199 0.00 0.00 -ATOM 7300 O1 H2O C2434 17.198 55.058 7.737 0.00 0.00 -ATOM 7301 H1 H2O C2434 16.737 54.230 7.418 0.00 0.00 -ATOM 7302 H2 H2O C2434 17.704 55.471 6.980 0.00 0.00 -ATOM 7303 O1 H2O C2435 10.558 56.799 41.192 0.00 0.00 -ATOM 7304 H1 H2O C2435 10.229 57.135 42.074 0.00 0.00 -ATOM 7305 H2 H2O C2435 11.451 57.203 40.993 0.00 0.00 -ATOM 7306 O1 H2O C2436 6.894 21.046 33.061 0.00 0.00 -ATOM 7307 H1 H2O C2436 7.830 21.341 32.870 0.00 0.00 -ATOM 7308 H2 H2O C2436 6.787 20.892 34.043 0.00 0.00 -ATOM 7309 O1 H2O C2437 46.269 21.706 40.992 0.00 0.00 -ATOM 7310 H1 H2O C2437 46.766 20.980 40.516 0.00 0.00 -ATOM 7311 H2 H2O C2437 45.333 21.753 40.646 0.00 0.00 -ATOM 7312 O1 H2O C2438 35.121 40.674 33.479 0.00 0.00 -ATOM 7313 H1 H2O C2438 35.229 40.998 32.539 0.00 0.00 -ATOM 7314 H2 H2O C2438 34.806 39.725 33.469 0.00 0.00 -ATOM 7315 O1 H2O C2439 19.622 27.263 56.087 0.00 0.00 -ATOM 7316 H1 H2O C2439 20.360 27.581 56.682 0.00 0.00 -ATOM 7317 H2 H2O C2439 19.901 26.417 55.633 0.00 0.00 -ATOM 7318 O1 H2O C2440 5.772 10.577 34.759 0.00 0.00 -ATOM 7319 H1 H2O C2440 6.320 11.071 34.085 0.00 0.00 -ATOM 7320 H2 H2O C2440 4.885 11.027 34.861 0.00 0.00 -ATOM 7321 O1 H2O C2441 45.084 53.128 31.808 0.00 0.00 -ATOM 7322 H1 H2O C2441 44.571 53.375 32.630 0.00 0.00 -ATOM 7323 H2 H2O C2441 44.812 53.726 31.053 0.00 0.00 -ATOM 7324 O1 H2O C2442 44.231 46.228 42.507 0.00 0.00 -ATOM 7325 H1 H2O C2442 45.122 46.268 42.961 0.00 0.00 -ATOM 7326 H2 H2O C2442 43.511 46.437 43.168 0.00 0.00 -ATOM 7327 O1 H2O C2443 9.038 59.467 44.870 0.00 0.00 -ATOM 7328 H1 H2O C2443 8.492 58.988 45.557 0.00 0.00 -ATOM 7329 H2 H2O C2443 8.869 59.067 43.970 0.00 0.00 -ATOM 7330 O1 H2O C2444 18.621 26.337 12.283 0.00 0.00 -ATOM 7331 H1 H2O C2444 19.591 26.136 12.136 0.00 0.00 -ATOM 7332 H2 H2O C2444 18.421 26.312 13.263 0.00 0.00 -ATOM 7333 O1 H2O C2445 23.306 13.618 14.647 0.00 0.00 -ATOM 7334 H1 H2O C2445 23.181 12.648 14.857 0.00 0.00 -ATOM 7335 H2 H2O C2445 24.266 13.866 14.776 0.00 0.00 -ATOM 7336 O1 H2O C2446 35.567 57.390 35.763 0.00 0.00 -ATOM 7337 H1 H2O C2446 34.750 57.554 36.316 0.00 0.00 -ATOM 7338 H2 H2O C2446 35.473 57.859 34.884 0.00 0.00 -ATOM 7339 O1 H2O C2447 28.679 14.083 29.899 0.00 0.00 -ATOM 7340 H1 H2O C2447 28.400 15.042 29.838 0.00 0.00 -ATOM 7341 H2 H2O C2447 29.356 13.978 30.627 0.00 0.00 -ATOM 7342 O1 H2O C2448 19.263 33.396 5.395 0.00 0.00 -ATOM 7343 H1 H2O C2448 19.567 32.566 5.863 0.00 0.00 -ATOM 7344 H2 H2O C2448 18.306 33.576 5.624 0.00 0.00 -ATOM 7345 O1 H2O C2449 28.134 54.955 38.053 0.00 0.00 -ATOM 7346 H1 H2O C2449 28.304 55.700 38.698 0.00 0.00 -ATOM 7347 H2 H2O C2449 27.150 54.861 37.904 0.00 0.00 -ATOM 7348 O1 H2O C2450 4.297 36.580 29.638 0.00 0.00 -ATOM 7349 H1 H2O C2450 4.460 36.950 28.723 0.00 0.00 -ATOM 7350 H2 H2O C2450 3.872 35.678 29.562 0.00 0.00 -ATOM 7351 O1 H2O C2451 42.049 37.016 17.971 0.00 0.00 -ATOM 7352 H1 H2O C2451 42.554 37.274 17.148 0.00 0.00 -ATOM 7353 H2 H2O C2451 41.979 37.806 18.581 0.00 0.00 -ATOM 7354 O1 H2O C2452 9.824 40.476 47.540 0.00 0.00 -ATOM 7355 H1 H2O C2452 9.354 40.920 46.777 0.00 0.00 -ATOM 7356 H2 H2O C2452 9.195 40.390 48.313 0.00 0.00 -ATOM 7357 O1 H2O C2453 37.380 50.499 40.443 0.00 0.00 -ATOM 7358 H1 H2O C2453 38.318 50.845 40.403 0.00 0.00 -ATOM 7359 H2 H2O C2453 36.885 50.783 39.622 0.00 0.00 -ATOM 7360 O1 H2O C2454 14.136 28.097 51.681 0.00 0.00 -ATOM 7361 H1 H2O C2454 14.892 27.907 51.055 0.00 0.00 -ATOM 7362 H2 H2O C2454 13.385 28.523 51.177 0.00 0.00 -ATOM 7363 O1 H2O C2455 17.609 53.708 50.011 0.00 0.00 -ATOM 7364 H1 H2O C2455 17.107 54.425 49.527 0.00 0.00 -ATOM 7365 H2 H2O C2455 17.135 53.487 50.863 0.00 0.00 -ATOM 7366 O1 H2O C2456 14.106 13.527 5.554 0.00 0.00 -ATOM 7367 H1 H2O C2456 14.092 14.525 5.488 0.00 0.00 -ATOM 7368 H2 H2O C2456 13.971 13.254 6.507 0.00 0.00 -ATOM 7369 O1 H2O C2457 20.868 24.651 3.262 0.00 0.00 -ATOM 7370 H1 H2O C2457 21.472 23.961 2.863 0.00 0.00 -ATOM 7371 H2 H2O C2457 20.225 24.972 2.567 0.00 0.00 -ATOM 7372 O1 H2O C2458 15.143 42.236 27.847 0.00 0.00 -ATOM 7373 H1 H2O C2458 14.196 42.527 27.980 0.00 0.00 -ATOM 7374 H2 H2O C2458 15.158 41.352 27.380 0.00 0.00 -ATOM 7375 O1 H2O C2459 33.691 22.956 17.643 0.00 0.00 -ATOM 7376 H1 H2O C2459 34.438 23.199 18.262 0.00 0.00 -ATOM 7377 H2 H2O C2459 33.973 22.191 17.065 0.00 0.00 -ATOM 7378 O1 H2O C2460 0.419 58.781 49.534 0.00 0.00 -ATOM 7379 H1 H2O C2460 0.688 57.934 49.991 0.00 0.00 -ATOM 7380 H2 H2O C2460 1.027 59.522 49.820 0.00 0.00 -ATOM 7381 O1 H2O C2461 53.567 52.358 50.298 0.00 0.00 -ATOM 7382 H1 H2O C2461 53.237 51.546 49.816 0.00 0.00 -ATOM 7383 H2 H2O C2461 54.465 52.615 49.941 0.00 0.00 -ATOM 7384 O1 H2O C2462 55.328 34.137 39.099 0.00 0.00 -ATOM 7385 H1 H2O C2462 55.351 35.127 39.236 0.00 0.00 -ATOM 7386 H2 H2O C2462 54.388 33.846 38.921 0.00 0.00 -ATOM 7387 O1 H2O C2463 45.881 29.932 59.428 0.00 0.00 -ATOM 7388 H1 H2O C2463 45.770 28.939 59.470 0.00 0.00 -ATOM 7389 H2 H2O C2463 46.770 30.185 59.809 0.00 0.00 -ATOM 7390 O1 H2O C2464 24.656 42.841 56.712 0.00 0.00 -ATOM 7391 H1 H2O C2464 25.429 42.210 56.777 0.00 0.00 -ATOM 7392 H2 H2O C2464 24.375 43.119 57.630 0.00 0.00 -ATOM 7393 O1 H2O C2465 5.122 44.376 20.129 0.00 0.00 -ATOM 7394 H1 H2O C2465 4.763 43.746 20.818 0.00 0.00 -ATOM 7395 H2 H2O C2465 4.508 45.160 20.041 0.00 0.00 -ATOM 7396 O1 H2O C2466 18.233 42.492 18.272 0.00 0.00 -ATOM 7397 H1 H2O C2466 18.408 41.777 17.595 0.00 0.00 -ATOM 7398 H2 H2O C2466 17.942 42.074 19.132 0.00 0.00 -ATOM 7399 O1 H2O C2467 4.217 40.195 44.726 0.00 0.00 -ATOM 7400 H1 H2O C2467 5.017 40.369 44.153 0.00 0.00 -ATOM 7401 H2 H2O C2467 4.494 39.686 45.541 0.00 0.00 -ATOM 7402 O1 H2O C2468 17.899 29.567 1.423 0.00 0.00 -ATOM 7403 H1 H2O C2468 17.351 30.326 1.773 0.00 0.00 -ATOM 7404 H2 H2O C2468 18.146 28.959 2.177 0.00 0.00 -ATOM 7405 O1 H2O C2469 1.255 26.231 46.491 0.00 0.00 -ATOM 7406 H1 H2O C2469 1.950 25.647 46.911 0.00 0.00 -ATOM 7407 H2 H2O C2469 1.246 27.120 46.948 0.00 0.00 -ATOM 7408 O1 H2O C2470 25.049 18.960 16.576 0.00 0.00 -ATOM 7409 H1 H2O C2470 26.038 18.891 16.710 0.00 0.00 -ATOM 7410 H2 H2O C2470 24.667 18.046 16.442 0.00 0.00 -ATOM 7411 O1 H2O C2471 35.282 21.855 18.139 0.00 0.00 -ATOM 7412 H1 H2O C2471 35.774 21.137 17.645 0.00 0.00 -ATOM 7413 H2 H2O C2471 34.827 22.458 17.485 0.00 0.00 -ATOM 7414 O1 H2O C2472 11.024 4.081 49.905 0.00 0.00 -ATOM 7415 H1 H2O C2472 11.107 4.993 49.503 0.00 0.00 -ATOM 7416 H2 H2O C2472 10.325 3.562 49.413 0.00 0.00 -ATOM 7417 O1 H2O C2473 48.807 42.540 13.349 0.00 0.00 -ATOM 7418 H1 H2O C2473 47.893 42.518 13.753 0.00 0.00 -ATOM 7419 H2 H2O C2473 48.870 41.850 12.629 0.00 0.00 -ATOM 7420 O1 H2O C2474 0.919 54.664 23.514 0.00 0.00 -ATOM 7421 H1 H2O C2474 0.178 53.997 23.590 0.00 0.00 -ATOM 7422 H2 H2O C2474 0.969 55.002 22.574 0.00 0.00 -ATOM 7423 O1 H2O C2475 9.011 27.660 36.603 0.00 0.00 -ATOM 7424 H1 H2O C2475 8.105 27.380 36.922 0.00 0.00 -ATOM 7425 H2 H2O C2475 9.497 26.866 36.240 0.00 0.00 -ATOM 7426 O1 H2O C2476 41.208 13.252 44.528 0.00 0.00 -ATOM 7427 H1 H2O C2476 41.500 12.917 45.424 0.00 0.00 -ATOM 7428 H2 H2O C2476 40.708 14.110 44.640 0.00 0.00 -ATOM 7429 O1 H2O C2477 17.297 39.870 20.986 0.00 0.00 -ATOM 7430 H1 H2O C2477 17.371 38.917 20.689 0.00 0.00 -ATOM 7431 H2 H2O C2477 17.029 40.440 20.208 0.00 0.00 -ATOM 7432 O1 H2O C2478 42.718 37.828 10.692 0.00 0.00 -ATOM 7433 H1 H2O C2478 43.466 37.845 10.028 0.00 0.00 -ATOM 7434 H2 H2O C2478 41.857 38.037 10.230 0.00 0.00 -ATOM 7435 O1 H2O C2479 20.398 59.472 16.643 0.00 0.00 -ATOM 7436 H1 H2O C2479 21.344 59.184 16.494 0.00 0.00 -ATOM 7437 H2 H2O C2479 20.049 59.053 17.481 0.00 0.00 -ATOM 7438 O1 H2O C2480 13.193 56.468 8.847 0.00 0.00 -ATOM 7439 H1 H2O C2480 12.726 57.351 8.894 0.00 0.00 -ATOM 7440 H2 H2O C2480 14.138 56.574 9.156 0.00 0.00 -ATOM 7441 O1 H2O C2481 33.564 51.551 9.972 0.00 0.00 -ATOM 7442 H1 H2O C2481 34.271 50.894 10.236 0.00 0.00 -ATOM 7443 H2 H2O C2481 32.725 51.361 10.482 0.00 0.00 -ATOM 7444 O1 H2O C2482 10.900 9.330 59.696 0.00 0.00 -ATOM 7445 H1 H2O C2482 10.667 10.118 60.266 0.00 0.00 -ATOM 7446 H2 H2O C2482 11.885 9.324 59.522 0.00 0.00 -ATOM 7447 O1 H2O C2483 8.568 36.962 7.157 0.00 0.00 -ATOM 7448 H1 H2O C2483 9.370 37.550 7.260 0.00 0.00 -ATOM 7449 H2 H2O C2483 8.009 37.014 7.985 0.00 0.00 -ATOM 7450 O1 H2O C2484 2.591 43.030 23.215 0.00 0.00 -ATOM 7451 H1 H2O C2484 2.401 42.164 23.678 0.00 0.00 -ATOM 7452 H2 H2O C2484 1.755 43.576 23.173 0.00 0.00 -ATOM 7453 O1 H2O C2485 17.725 44.700 22.039 0.00 0.00 -ATOM 7454 H1 H2O C2485 18.146 45.449 22.551 0.00 0.00 -ATOM 7455 H2 H2O C2485 18.017 43.826 22.427 0.00 0.00 -ATOM 7456 O1 H2O C2486 43.819 18.994 33.091 0.00 0.00 -ATOM 7457 H1 H2O C2486 43.071 19.655 33.033 0.00 0.00 -ATOM 7458 H2 H2O C2486 44.129 18.761 32.169 0.00 0.00 -ATOM 7459 O1 H2O C2487 36.813 33.707 19.954 0.00 0.00 -ATOM 7460 H1 H2O C2487 37.523 33.283 19.392 0.00 0.00 -ATOM 7461 H2 H2O C2487 36.879 33.365 20.891 0.00 0.00 -ATOM 7462 O1 H2O C2488 10.374 46.879 53.499 0.00 0.00 -ATOM 7463 H1 H2O C2488 10.112 47.785 53.832 0.00 0.00 -ATOM 7464 H2 H2O C2488 10.301 46.216 54.244 0.00 0.00 -ATOM 7465 O1 H2O C2489 56.773 29.240 39.246 0.00 0.00 -ATOM 7466 H1 H2O C2489 56.525 29.640 40.129 0.00 0.00 -ATOM 7467 H2 H2O C2489 56.194 28.445 39.066 0.00 0.00 -ATOM 7468 O1 H2O C2490 16.650 57.386 52.055 0.00 0.00 -ATOM 7469 H1 H2O C2490 17.583 57.611 51.775 0.00 0.00 -ATOM 7470 H2 H2O C2490 16.507 56.399 51.976 0.00 0.00 -ATOM 7471 O1 H2O C2491 50.614 58.686 54.416 0.00 0.00 -ATOM 7472 H1 H2O C2491 49.763 58.541 54.922 0.00 0.00 -ATOM 7473 H2 H2O C2491 50.619 58.107 53.600 0.00 0.00 -ATOM 7474 O1 H2O C2492 41.418 31.884 5.901 0.00 0.00 -ATOM 7475 H1 H2O C2492 40.469 31.654 6.115 0.00 0.00 -ATOM 7476 H2 H2O C2492 41.844 32.316 6.696 0.00 0.00 -ATOM 7477 O1 H2O C2493 30.455 11.237 4.444 0.00 0.00 -ATOM 7478 H1 H2O C2493 31.375 11.619 4.541 0.00 0.00 -ATOM 7479 H2 H2O C2493 29.782 11.974 4.487 0.00 0.00 -ATOM 7480 O1 H2O C2494 42.740 8.277 33.207 0.00 0.00 -ATOM 7481 H1 H2O C2494 42.592 8.255 34.195 0.00 0.00 -ATOM 7482 H2 H2O C2494 42.449 9.162 32.845 0.00 0.00 -ATOM 7483 O1 H2O C2495 42.706 5.618 58.802 0.00 0.00 -ATOM 7484 H1 H2O C2495 43.220 6.471 58.708 0.00 0.00 -ATOM 7485 H2 H2O C2495 41.742 5.786 58.597 0.00 0.00 -ATOM 7486 O1 H2O C2496 14.545 21.878 38.803 0.00 0.00 -ATOM 7487 H1 H2O C2496 15.090 21.064 38.600 0.00 0.00 -ATOM 7488 H2 H2O C2496 14.326 22.354 37.951 0.00 0.00 -ATOM 7489 O1 H2O C2497 57.957 23.930 59.729 0.00 0.00 -ATOM 7490 H1 H2O C2497 58.223 23.031 59.381 0.00 0.00 -ATOM 7491 H2 H2O C2497 58.072 24.614 59.008 0.00 0.00 -ATOM 7492 O1 H2O C2498 33.646 0.152 34.557 0.00 0.00 -ATOM 7493 H1 H2O C2498 34.137 0.638 35.280 0.00 0.00 -ATOM 7494 H2 H2O C2498 34.281 -0.074 33.817 0.00 0.00 -ATOM 7495 O1 H2O C2499 44.013 39.138 31.488 0.00 0.00 -ATOM 7496 H1 H2O C2499 43.352 39.824 31.187 0.00 0.00 -ATOM 7497 H2 H2O C2499 44.931 39.535 31.484 0.00 0.00 -ATOM 7498 O1 H2O C2500 49.257 0.295 7.498 0.00 0.00 -ATOM 7499 H1 H2O C2500 48.782 1.124 7.205 0.00 0.00 -ATOM 7500 H2 H2O C2500 49.553 -0.221 6.695 0.00 0.00 -ATOM 7501 O1 H2O C2501 11.591 23.321 36.739 0.00 0.00 -ATOM 7502 H1 H2O C2501 11.287 22.372 36.813 0.00 0.00 -ATOM 7503 H2 H2O C2501 10.857 23.877 36.349 0.00 0.00 -ATOM 7504 O1 H2O C2502 45.689 21.288 48.316 0.00 0.00 -ATOM 7505 H1 H2O C2502 45.262 21.241 49.219 0.00 0.00 -ATOM 7506 H2 H2O C2502 46.603 21.687 48.401 0.00 0.00 -ATOM 7507 O1 H2O C2503 33.383 13.748 34.160 0.00 0.00 -ATOM 7508 H1 H2O C2503 32.661 14.369 33.852 0.00 0.00 -ATOM 7509 H2 H2O C2503 33.182 12.821 33.844 0.00 0.00 -ATOM 7510 O1 H2O C2504 46.726 1.330 34.083 0.00 0.00 -ATOM 7511 H1 H2O C2504 47.333 1.729 33.394 0.00 0.00 -ATOM 7512 H2 H2O C2504 45.792 1.654 33.931 0.00 0.00 -ATOM 7513 O1 H2O C2505 37.821 46.645 19.891 0.00 0.00 -ATOM 7514 H1 H2O C2505 38.815 46.563 19.813 0.00 0.00 -ATOM 7515 H2 H2O C2505 37.591 47.537 20.281 0.00 0.00 -ATOM 7516 O1 H2O C2506 13.315 43.919 30.351 0.00 0.00 -ATOM 7517 H1 H2O C2506 13.729 43.315 29.670 0.00 0.00 -ATOM 7518 H2 H2O C2506 13.391 44.868 30.044 0.00 0.00 -ATOM 7519 O1 H2O C2507 12.586 45.893 18.093 0.00 0.00 -ATOM 7520 H1 H2O C2507 13.472 46.121 18.497 0.00 0.00 -ATOM 7521 H2 H2O C2507 12.054 45.351 18.745 0.00 0.00 -ATOM 7522 O1 H2O C2508 47.423 30.219 5.533 0.00 0.00 -ATOM 7523 H1 H2O C2508 46.434 30.363 5.543 0.00 0.00 -ATOM 7524 H2 H2O C2508 47.617 29.251 5.373 0.00 0.00 -ATOM 7525 O1 H2O C2509 36.825 54.486 36.075 0.00 0.00 -ATOM 7526 H1 H2O C2509 37.524 53.785 36.215 0.00 0.00 -ATOM 7527 H2 H2O C2509 37.147 55.356 36.450 0.00 0.00 -ATOM 7528 O1 H2O C2510 49.710 1.938 26.263 0.00 0.00 -ATOM 7529 H1 H2O C2510 50.605 1.582 26.531 0.00 0.00 -ATOM 7530 H2 H2O C2510 49.130 1.184 25.955 0.00 0.00 -ATOM 7531 O1 H2O C2511 37.917 48.226 10.644 0.00 0.00 -ATOM 7532 H1 H2O C2511 37.763 47.984 11.602 0.00 0.00 -ATOM 7533 H2 H2O C2511 37.340 49.005 10.400 0.00 0.00 -ATOM 7534 O1 H2O C2512 51.032 19.361 29.598 0.00 0.00 -ATOM 7535 H1 H2O C2512 50.815 18.546 30.137 0.00 0.00 -ATOM 7536 H2 H2O C2512 51.641 19.956 30.123 0.00 0.00 -ATOM 7537 O1 H2O C2513 3.412 37.311 35.019 0.00 0.00 -ATOM 7538 H1 H2O C2513 2.965 37.077 34.155 0.00 0.00 -ATOM 7539 H2 H2O C2513 2.722 37.599 35.684 0.00 0.00 -ATOM 7540 O1 H2O C2514 20.352 31.460 9.215 0.00 0.00 -ATOM 7541 H1 H2O C2514 19.744 30.702 8.980 0.00 0.00 -ATOM 7542 H2 H2O C2514 19.922 32.027 9.918 0.00 0.00 -ATOM 7543 O1 H2O C2515 0.972 1.076 13.252 0.00 0.00 -ATOM 7544 H1 H2O C2515 1.675 1.540 12.713 0.00 0.00 -ATOM 7545 H2 H2O C2515 0.110 1.579 13.179 0.00 0.00 -ATOM 7546 O1 H2O C2516 44.377 7.506 1.233 0.00 0.00 -ATOM 7547 H1 H2O C2516 45.063 7.765 1.913 0.00 0.00 -ATOM 7548 H2 H2O C2516 44.000 6.609 1.464 0.00 0.00 -ATOM 7549 O1 H2O C2517 43.150 42.814 57.755 0.00 0.00 -ATOM 7550 H1 H2O C2517 43.932 42.320 58.133 0.00 0.00 -ATOM 7551 H2 H2O C2517 43.380 43.783 57.665 0.00 0.00 -ATOM 7552 O1 H2O C2518 2.638 55.109 40.311 0.00 0.00 -ATOM 7553 H1 H2O C2518 1.780 55.321 39.842 0.00 0.00 -ATOM 7554 H2 H2O C2518 3.263 54.660 39.673 0.00 0.00 -ATOM 7555 O1 H2O C2519 15.194 60.223 42.291 0.00 0.00 -ATOM 7556 H1 H2O C2519 14.303 59.821 42.505 0.00 0.00 -ATOM 7557 H2 H2O C2519 15.896 59.805 42.867 0.00 0.00 -ATOM 7558 O1 H2O C2520 53.021 9.804 20.505 0.00 0.00 -ATOM 7559 H1 H2O C2520 52.695 8.883 20.716 0.00 0.00 -ATOM 7560 H2 H2O C2520 54.021 9.808 20.484 0.00 0.00 -ATOM 7561 O1 H2O C2521 39.267 56.765 21.010 0.00 0.00 -ATOM 7562 H1 H2O C2521 39.036 56.847 20.041 0.00 0.00 -ATOM 7563 H2 H2O C2521 38.632 57.316 21.552 0.00 0.00 -ATOM 7564 O1 H2O C2522 27.749 8.785 25.895 0.00 0.00 -ATOM 7565 H1 H2O C2522 27.969 7.828 25.705 0.00 0.00 -ATOM 7566 H2 H2O C2522 27.460 8.877 26.848 0.00 0.00 -ATOM 7567 O1 H2O C2523 48.766 18.648 39.395 0.00 0.00 -ATOM 7568 H1 H2O C2523 48.373 17.956 40.000 0.00 0.00 -ATOM 7569 H2 H2O C2523 49.436 18.220 38.788 0.00 0.00 -ATOM 7570 O1 H2O C2524 19.775 21.825 47.791 0.00 0.00 -ATOM 7571 H1 H2O C2524 19.687 20.871 48.078 0.00 0.00 -ATOM 7572 H2 H2O C2524 18.882 22.167 47.495 0.00 0.00 -ATOM 7573 O1 H2O C2525 36.666 6.035 20.711 0.00 0.00 -ATOM 7574 H1 H2O C2525 36.398 5.328 20.057 0.00 0.00 -ATOM 7575 H2 H2O C2525 37.501 6.485 20.393 0.00 0.00 -ATOM 7576 O1 H2O C2526 52.521 11.400 9.797 0.00 0.00 -ATOM 7577 H1 H2O C2526 51.634 10.979 9.608 0.00 0.00 -ATOM 7578 H2 H2O C2526 52.770 12.006 9.041 0.00 0.00 -ATOM 7579 O1 H2O C2527 7.183 59.149 15.633 0.00 0.00 -ATOM 7580 H1 H2O C2527 6.568 58.427 15.315 0.00 0.00 -ATOM 7581 H2 H2O C2527 7.907 58.747 16.194 0.00 0.00 -ATOM 7582 O1 H2O C2528 59.373 4.116 32.502 0.00 0.00 -ATOM 7583 H1 H2O C2528 58.599 3.782 31.963 0.00 0.00 -ATOM 7584 H2 H2O C2528 59.091 4.918 33.029 0.00 0.00 -ATOM 7585 O1 H2O C2529 4.007 54.552 35.685 0.00 0.00 -ATOM 7586 H1 H2O C2529 3.760 53.639 36.011 0.00 0.00 -ATOM 7587 H2 H2O C2529 3.271 54.911 35.112 0.00 0.00 -ATOM 7588 O1 H2O C2530 44.566 13.491 26.631 0.00 0.00 -ATOM 7589 H1 H2O C2530 45.279 14.119 26.320 0.00 0.00 -ATOM 7590 H2 H2O C2530 43.720 13.674 26.130 0.00 0.00 -ATOM 7591 O1 H2O C2531 22.655 44.463 57.316 0.00 0.00 -ATOM 7592 H1 H2O C2531 21.789 44.430 57.815 0.00 0.00 -ATOM 7593 H2 H2O C2531 22.971 45.410 57.258 0.00 0.00 -ATOM 7594 O1 H2O C2532 59.967 22.941 31.005 0.00 0.00 -ATOM 7595 H1 H2O C2532 59.339 23.614 30.616 0.00 0.00 -ATOM 7596 H2 H2O C2532 59.999 23.050 31.999 0.00 0.00 -ATOM 7597 O1 H2O C2533 58.668 53.617 41.881 0.00 0.00 -ATOM 7598 H1 H2O C2533 58.429 52.773 42.361 0.00 0.00 -ATOM 7599 H2 H2O C2533 59.289 54.158 42.448 0.00 0.00 -ATOM 7600 O1 H2O C2534 46.053 55.716 12.488 0.00 0.00 -ATOM 7601 H1 H2O C2534 45.359 55.931 11.800 0.00 0.00 -ATOM 7602 H2 H2O C2534 46.148 54.723 12.566 0.00 0.00 -ATOM 7603 O1 H2O C2535 26.823 10.610 42.633 0.00 0.00 -ATOM 7604 H1 H2O C2535 25.996 10.962 42.195 0.00 0.00 -ATOM 7605 H2 H2O C2535 26.910 11.005 43.548 0.00 0.00 -ATOM 7606 O1 H2O C2536 24.655 43.449 32.137 0.00 0.00 -ATOM 7607 H1 H2O C2536 24.826 42.498 32.398 0.00 0.00 -ATOM 7608 H2 H2O C2536 25.024 43.615 31.222 0.00 0.00 -ATOM 7609 O1 H2O C2537 26.374 29.249 43.457 0.00 0.00 -ATOM 7610 H1 H2O C2537 25.904 29.379 44.330 0.00 0.00 -ATOM 7611 H2 H2O C2537 26.044 29.924 42.797 0.00 0.00 -ATOM 7612 O1 H2O C2538 44.803 58.344 12.137 0.00 0.00 -ATOM 7613 H1 H2O C2538 44.137 57.707 12.526 0.00 0.00 -ATOM 7614 H2 H2O C2538 44.897 58.170 11.156 0.00 0.00 -ATOM 7615 O1 H2O C2539 19.794 22.003 53.991 0.00 0.00 -ATOM 7616 H1 H2O C2539 18.876 22.115 53.607 0.00 0.00 -ATOM 7617 H2 H2O C2539 20.470 22.352 53.341 0.00 0.00 -ATOM 7618 O1 H2O C2540 50.538 6.947 33.368 0.00 0.00 -ATOM 7619 H1 H2O C2540 50.809 7.232 32.449 0.00 0.00 -ATOM 7620 H2 H2O C2540 51.061 6.138 33.634 0.00 0.00 -ATOM 7621 O1 H2O C2541 0.947 33.593 44.507 0.00 0.00 -ATOM 7622 H1 H2O C2541 0.095 33.746 45.009 0.00 0.00 -ATOM 7623 H2 H2O C2541 1.391 32.765 44.847 0.00 0.00 -ATOM 7624 O1 H2O C2542 53.352 4.841 41.373 0.00 0.00 -ATOM 7625 H1 H2O C2542 52.904 5.687 41.085 0.00 0.00 -ATOM 7626 H2 H2O C2542 53.880 5.010 42.206 0.00 0.00 -ATOM 7627 O1 H2O C2543 14.600 7.266 26.026 0.00 0.00 -ATOM 7628 H1 H2O C2543 13.695 7.169 25.611 0.00 0.00 -ATOM 7629 H2 H2O C2543 14.616 8.080 26.606 0.00 0.00 -ATOM 7630 O1 H2O C2544 40.790 24.920 53.952 0.00 0.00 -ATOM 7631 H1 H2O C2544 41.309 25.750 54.157 0.00 0.00 -ATOM 7632 H2 H2O C2544 40.403 24.552 54.797 0.00 0.00 -ATOM 7633 O1 H2O C2545 40.190 41.268 42.922 0.00 0.00 -ATOM 7634 H1 H2O C2545 39.583 40.948 43.650 0.00 0.00 -ATOM 7635 H2 H2O C2545 40.228 40.583 42.194 0.00 0.00 -ATOM 7636 O1 H2O C2546 7.392 19.308 35.617 0.00 0.00 -ATOM 7637 H1 H2O C2546 7.663 19.503 36.559 0.00 0.00 -ATOM 7638 H2 H2O C2546 6.573 18.733 35.618 0.00 0.00 -ATOM 7639 O1 H2O C2547 48.138 37.561 32.575 0.00 0.00 -ATOM 7640 H1 H2O C2547 48.940 36.972 32.470 0.00 0.00 -ATOM 7641 H2 H2O C2547 47.317 36.995 32.654 0.00 0.00 -ATOM 7642 O1 H2O C2548 13.872 43.739 37.149 0.00 0.00 -ATOM 7643 H1 H2O C2548 14.022 43.263 36.283 0.00 0.00 -ATOM 7644 H2 H2O C2548 13.078 43.346 37.612 0.00 0.00 -ATOM 7645 O1 H2O C2549 53.051 58.457 27.797 0.00 0.00 -ATOM 7646 H1 H2O C2549 52.900 58.149 26.857 0.00 0.00 -ATOM 7647 H2 H2O C2549 53.606 59.288 27.790 0.00 0.00 -ATOM 7648 O1 H2O C2550 55.807 11.719 41.837 0.00 0.00 -ATOM 7649 H1 H2O C2550 55.221 12.313 42.389 0.00 0.00 -ATOM 7650 H2 H2O C2550 55.238 11.102 41.293 0.00 0.00 -ATOM 7651 O1 H2O C2551 55.945 46.692 27.634 0.00 0.00 -ATOM 7652 H1 H2O C2551 54.958 46.530 27.611 0.00 0.00 -ATOM 7653 H2 H2O C2551 56.357 46.355 26.787 0.00 0.00 -ATOM 7654 O1 H2O C2552 31.452 9.904 24.443 0.00 0.00 -ATOM 7655 H1 H2O C2552 30.747 10.534 24.117 0.00 0.00 -ATOM 7656 H2 H2O C2552 32.356 10.275 24.226 0.00 0.00 -ATOM 7657 O1 H2O C2553 59.134 48.670 29.946 0.00 0.00 -ATOM 7658 H1 H2O C2553 59.226 48.464 28.972 0.00 0.00 -ATOM 7659 H2 H2O C2553 59.983 49.077 30.283 0.00 0.00 -ATOM 7660 O1 H2O C2554 43.606 19.449 16.422 0.00 0.00 -ATOM 7661 H1 H2O C2554 43.227 19.941 15.638 0.00 0.00 -ATOM 7662 H2 H2O C2554 44.149 20.078 16.980 0.00 0.00 -ATOM 7663 O1 H2O C2555 58.242 59.211 45.811 0.00 0.00 -ATOM 7664 H1 H2O C2555 57.470 59.514 45.254 0.00 0.00 -ATOM 7665 H2 H2O C2555 58.992 59.868 45.728 0.00 0.00 -ATOM 7666 O1 H2O C2556 37.784 56.029 36.348 0.00 0.00 -ATOM 7667 H1 H2O C2556 38.555 56.617 36.595 0.00 0.00 -ATOM 7668 H2 H2O C2556 37.020 56.204 36.969 0.00 0.00 -ATOM 7669 O1 H2O C2557 4.946 23.042 57.300 0.00 0.00 -ATOM 7670 H1 H2O C2557 4.585 22.109 57.282 0.00 0.00 -ATOM 7671 H2 H2O C2557 4.334 23.625 57.835 0.00 0.00 -ATOM 7672 O1 H2O C2558 11.757 23.062 55.175 0.00 0.00 -ATOM 7673 H1 H2O C2558 12.536 23.331 54.608 0.00 0.00 -ATOM 7674 H2 H2O C2558 10.907 23.337 54.726 0.00 0.00 -ATOM 7675 O1 H2O C2559 58.730 12.819 32.309 0.00 0.00 -ATOM 7676 H1 H2O C2559 59.010 13.653 32.784 0.00 0.00 -ATOM 7677 H2 H2O C2559 57.731 12.762 32.298 0.00 0.00 -ATOM 7678 O1 H2O C2560 15.658 4.371 52.076 0.00 0.00 -ATOM 7679 H1 H2O C2560 16.429 4.993 51.941 0.00 0.00 -ATOM 7680 H2 H2O C2560 15.656 4.045 53.023 0.00 0.00 -ATOM 7681 O1 H2O C2561 39.806 9.394 30.024 0.00 0.00 -ATOM 7682 H1 H2O C2561 39.075 10.048 30.218 0.00 0.00 -ATOM 7683 H2 H2O C2561 39.494 8.470 30.247 0.00 0.00 -ATOM 7684 O1 H2O C2562 36.343 52.111 7.752 0.00 0.00 -ATOM 7685 H1 H2O C2562 36.143 51.534 6.961 0.00 0.00 -ATOM 7686 H2 H2O C2562 36.607 53.024 7.440 0.00 0.00 -ATOM 7687 O1 H2O C2563 3.192 51.742 52.161 0.00 0.00 -ATOM 7688 H1 H2O C2563 4.040 51.217 52.235 0.00 0.00 -ATOM 7689 H2 H2O C2563 3.357 52.683 52.458 0.00 0.00 -ATOM 7690 O1 H2O C2564 26.596 27.525 25.909 0.00 0.00 -ATOM 7691 H1 H2O C2564 26.756 26.705 25.359 0.00 0.00 -ATOM 7692 H2 H2O C2564 25.953 27.313 26.644 0.00 0.00 -ATOM 7693 O1 H2O C2565 20.013 36.739 9.003 0.00 0.00 -ATOM 7694 H1 H2O C2565 20.546 35.954 8.687 0.00 0.00 -ATOM 7695 H2 H2O C2565 20.534 37.579 8.847 0.00 0.00 -ATOM 7696 O1 H2O C2566 49.817 30.920 31.375 0.00 0.00 -ATOM 7697 H1 H2O C2566 48.878 31.170 31.614 0.00 0.00 -ATOM 7698 H2 H2O C2566 50.129 30.185 31.977 0.00 0.00 -ATOM 7699 O1 H2O C2567 41.619 7.587 46.559 0.00 0.00 -ATOM 7700 H1 H2O C2567 40.659 7.791 46.750 0.00 0.00 -ATOM 7701 H2 H2O C2567 41.729 7.383 45.586 0.00 0.00 -ATOM 7702 O1 H2O C2568 45.051 25.109 11.169 0.00 0.00 -ATOM 7703 H1 H2O C2568 44.884 25.851 10.520 0.00 0.00 -ATOM 7704 H2 H2O C2568 45.364 25.491 12.038 0.00 0.00 -ATOM 7705 O1 H2O C2569 18.580 49.697 49.002 0.00 0.00 -ATOM 7706 H1 H2O C2569 18.591 49.699 48.002 0.00 0.00 -ATOM 7707 H2 H2O C2569 19.429 49.294 49.344 0.00 0.00 -ATOM 7708 O1 H2O C2570 49.642 58.104 56.982 0.00 0.00 -ATOM 7709 H1 H2O C2570 50.098 57.871 57.841 0.00 0.00 -ATOM 7710 H2 H2O C2570 49.921 57.458 56.271 0.00 0.00 -ATOM 7711 O1 H2O C2571 12.624 48.701 57.440 0.00 0.00 -ATOM 7712 H1 H2O C2571 12.671 48.374 56.496 0.00 0.00 -ATOM 7713 H2 H2O C2571 11.711 48.523 57.809 0.00 0.00 -ATOM 7714 O1 H2O C2572 2.478 36.328 7.895 0.00 0.00 -ATOM 7715 H1 H2O C2572 3.407 36.399 8.257 0.00 0.00 -ATOM 7716 H2 H2O C2572 2.044 37.229 7.910 0.00 0.00 -ATOM 7717 O1 H2O C2573 16.225 7.440 57.880 0.00 0.00 -ATOM 7718 H1 H2O C2573 16.110 7.841 56.971 0.00 0.00 -ATOM 7719 H2 H2O C2573 15.737 6.569 57.925 0.00 0.00 -ATOM 7720 O1 H2O C2574 0.316 57.511 34.686 0.00 0.00 -ATOM 7721 H1 H2O C2574 0.308 56.570 34.345 0.00 0.00 -ATOM 7722 H2 H2O C2574 0.355 57.502 35.685 0.00 0.00 -ATOM 7723 O1 H2O C2575 52.766 15.383 35.147 0.00 0.00 -ATOM 7724 H1 H2O C2575 51.866 15.129 34.793 0.00 0.00 -ATOM 7725 H2 H2O C2575 52.825 15.137 36.115 0.00 0.00 -ATOM 7726 O1 H2O C2576 32.895 5.228 18.512 0.00 0.00 -ATOM 7727 H1 H2O C2576 32.204 4.535 18.307 0.00 0.00 -ATOM 7728 H2 H2O C2576 33.807 4.839 18.377 0.00 0.00 -ATOM 7729 O1 H2O C2577 22.169 15.760 46.189 0.00 0.00 -ATOM 7730 H1 H2O C2577 22.279 14.825 45.850 0.00 0.00 -ATOM 7731 H2 H2O C2577 22.841 16.356 45.746 0.00 0.00 -ATOM 7732 O1 H2O C2578 3.644 46.776 16.815 0.00 0.00 -ATOM 7733 H1 H2O C2578 4.631 46.637 16.725 0.00 0.00 -ATOM 7734 H2 H2O C2578 3.318 47.345 16.060 0.00 0.00 -ATOM 7735 O1 H2O C2579 53.125 10.111 30.272 0.00 0.00 -ATOM 7736 H1 H2O C2579 52.771 10.033 29.340 0.00 0.00 -ATOM 7737 H2 H2O C2579 52.504 10.672 30.819 0.00 0.00 -ATOM 7738 O1 H2O C2580 1.300 30.031 16.425 0.00 0.00 -ATOM 7739 H1 H2O C2580 1.250 30.533 15.561 0.00 0.00 -ATOM 7740 H2 H2O C2580 0.433 30.124 16.915 0.00 0.00 -ATOM 7741 O1 H2O C2581 47.201 27.866 2.401 0.00 0.00 -ATOM 7742 H1 H2O C2581 46.463 27.192 2.436 0.00 0.00 -ATOM 7743 H2 H2O C2581 48.000 27.511 2.888 0.00 0.00 -ATOM 7744 O1 H2O C2582 41.939 0.110 48.651 0.00 0.00 -ATOM 7745 H1 H2O C2582 41.983 0.602 49.521 0.00 0.00 -ATOM 7746 H2 H2O C2582 41.637 0.735 47.931 0.00 0.00 -ATOM 7747 O1 H2O C2583 49.506 3.886 3.539 0.00 0.00 -ATOM 7748 H1 H2O C2583 48.670 4.432 3.600 0.00 0.00 -ATOM 7749 H2 H2O C2583 49.288 2.983 3.169 0.00 0.00 -ATOM 7750 O1 H2O C2584 38.640 11.576 8.611 0.00 0.00 -ATOM 7751 H1 H2O C2584 38.517 12.549 8.809 0.00 0.00 -ATOM 7752 H2 H2O C2584 38.258 11.369 7.711 0.00 0.00 -ATOM 7753 O1 H2O C2585 4.209 5.680 18.636 0.00 0.00 -ATOM 7754 H1 H2O C2585 5.198 5.795 18.725 0.00 0.00 -ATOM 7755 H2 H2O C2585 3.809 5.531 19.540 0.00 0.00 -ATOM 7756 O1 H2O C2586 38.048 50.323 7.132 0.00 0.00 -ATOM 7757 H1 H2O C2586 38.579 49.480 7.047 0.00 0.00 -ATOM 7758 H2 H2O C2586 38.589 51.093 6.794 0.00 0.00 -ATOM 7759 O1 H2O C2587 17.142 21.422 43.898 0.00 0.00 -ATOM 7760 H1 H2O C2587 17.627 20.721 43.377 0.00 0.00 -ATOM 7761 H2 H2O C2587 17.313 21.290 44.874 0.00 0.00 -ATOM 7762 O1 H2O C2588 7.684 21.916 32.166 0.00 0.00 -ATOM 7763 H1 H2O C2588 7.367 21.268 31.473 0.00 0.00 -ATOM 7764 H2 H2O C2588 8.140 22.685 31.719 0.00 0.00 -ATOM 7765 O1 H2O C2589 53.610 35.519 26.912 0.00 0.00 -ATOM 7766 H1 H2O C2589 53.209 36.220 27.502 0.00 0.00 -ATOM 7767 H2 H2O C2589 54.273 35.943 26.295 0.00 0.00 -ATOM 7768 O1 H2O C2590 59.834 16.956 19.024 0.00 0.00 -ATOM 7769 H1 H2O C2590 60.308 16.099 18.822 0.00 0.00 -ATOM 7770 H2 H2O C2590 59.638 17.438 18.170 0.00 0.00 -ATOM 7771 O1 H2O C2591 33.748 30.124 48.662 0.00 0.00 -ATOM 7772 H1 H2O C2591 34.558 30.633 48.957 0.00 0.00 -ATOM 7773 H2 H2O C2591 33.155 30.726 48.127 0.00 0.00 -ATOM 7774 O1 H2O C2592 35.371 50.347 9.724 0.00 0.00 -ATOM 7775 H1 H2O C2592 35.480 51.120 10.349 0.00 0.00 -ATOM 7776 H2 H2O C2592 35.219 50.688 8.796 0.00 0.00 -ATOM 7777 O1 H2O C2593 27.578 7.809 45.232 0.00 0.00 -ATOM 7778 H1 H2O C2593 28.060 8.058 46.072 0.00 0.00 -ATOM 7779 H2 H2O C2593 26.638 8.148 45.276 0.00 0.00 -ATOM 7780 O1 H2O C2594 52.104 34.051 39.600 0.00 0.00 -ATOM 7781 H1 H2O C2594 51.477 34.816 39.746 0.00 0.00 -ATOM 7782 H2 H2O C2594 52.959 34.390 39.207 0.00 0.00 -ATOM 7783 O1 H2O C2595 7.357 40.389 2.177 0.00 0.00 -ATOM 7784 H1 H2O C2595 7.502 40.073 1.240 0.00 0.00 -ATOM 7785 H2 H2O C2595 7.446 41.385 2.210 0.00 0.00 -ATOM 7786 O1 H2O C2596 2.075 21.684 36.237 0.00 0.00 -ATOM 7787 H1 H2O C2596 2.383 20.743 36.375 0.00 0.00 -ATOM 7788 H2 H2O C2596 2.229 22.211 37.073 0.00 0.00 -ATOM 7789 O1 H2O C2597 46.161 46.241 19.594 0.00 0.00 -ATOM 7790 H1 H2O C2597 47.097 46.575 19.709 0.00 0.00 -ATOM 7791 H2 H2O C2597 45.616 46.495 20.393 0.00 0.00 -ATOM 7792 O1 H2O C2598 50.473 15.128 9.862 0.00 0.00 -ATOM 7793 H1 H2O C2598 51.262 15.039 10.471 0.00 0.00 -ATOM 7794 H2 H2O C2598 50.443 14.346 9.239 0.00 0.00 -ATOM 7795 O1 H2O C2599 52.998 29.580 27.794 0.00 0.00 -ATOM 7796 H1 H2O C2599 52.031 29.676 27.560 0.00 0.00 -ATOM 7797 H2 H2O C2599 53.499 29.226 27.004 0.00 0.00 -ATOM 7798 O1 H2O C2600 19.630 45.938 24.013 0.00 0.00 -ATOM 7799 H1 H2O C2600 19.054 45.420 23.380 0.00 0.00 -ATOM 7800 H2 H2O C2600 20.393 45.366 24.313 0.00 0.00 -ATOM 7801 O1 H2O C2601 34.704 55.741 27.666 0.00 0.00 -ATOM 7802 H1 H2O C2601 34.429 56.597 27.228 0.00 0.00 -ATOM 7803 H2 H2O C2601 34.608 54.988 27.014 0.00 0.00 -ATOM 7804 O1 H2O C2602 12.286 17.705 28.876 0.00 0.00 -ATOM 7805 H1 H2O C2602 11.657 18.431 29.154 0.00 0.00 -ATOM 7806 H2 H2O C2602 12.443 17.088 29.647 0.00 0.00 -ATOM 7807 O1 H2O C2603 23.356 41.582 32.255 0.00 0.00 -ATOM 7808 H1 H2O C2603 24.256 41.513 31.823 0.00 0.00 -ATOM 7809 H2 H2O C2603 22.971 42.489 32.078 0.00 0.00 -ATOM 7810 O1 H2O C2604 16.974 54.098 31.864 0.00 0.00 -ATOM 7811 H1 H2O C2604 17.049 55.095 31.911 0.00 0.00 -ATOM 7812 H2 H2O C2604 16.651 53.748 32.744 0.00 0.00 -ATOM 7813 O1 H2O C2605 13.639 19.222 37.771 0.00 0.00 -ATOM 7814 H1 H2O C2605 13.185 18.566 37.167 0.00 0.00 -ATOM 7815 H2 H2O C2605 13.433 20.152 37.468 0.00 0.00 -ATOM 7816 O1 H2O C2606 30.032 9.157 57.630 0.00 0.00 -ATOM 7817 H1 H2O C2606 29.386 8.703 57.017 0.00 0.00 -ATOM 7818 H2 H2O C2606 30.695 9.677 57.091 0.00 0.00 -ATOM 7819 O1 H2O C2607 50.022 14.442 36.094 0.00 0.00 -ATOM 7820 H1 H2O C2607 49.656 13.562 36.399 0.00 0.00 -ATOM 7821 H2 H2O C2607 50.857 14.650 36.604 0.00 0.00 -ATOM 7822 O1 H2O C2608 28.304 22.339 50.068 0.00 0.00 -ATOM 7823 H1 H2O C2608 28.296 21.340 50.027 0.00 0.00 -ATOM 7824 H2 H2O C2608 28.656 22.705 49.206 0.00 0.00 -ATOM 7825 O1 H2O C2609 18.108 14.021 32.947 0.00 0.00 -ATOM 7826 H1 H2O C2609 17.537 14.653 33.470 0.00 0.00 -ATOM 7827 H2 H2O C2609 19.062 14.318 32.991 0.00 0.00 -ATOM 7828 O1 H2O C2610 10.907 49.490 10.213 0.00 0.00 -ATOM 7829 H1 H2O C2610 10.316 48.749 10.535 0.00 0.00 -ATOM 7830 H2 H2O C2610 10.798 49.597 9.225 0.00 0.00 -ATOM 7831 O1 H2O C2611 32.795 -0.015 0.703 0.00 0.00 -ATOM 7832 H1 H2O C2611 33.028 0.480 -0.134 0.00 0.00 -ATOM 7833 H2 H2O C2611 33.577 -0.001 1.327 0.00 0.00 -ATOM 7834 O1 H2O C2612 33.844 7.714 12.407 0.00 0.00 -ATOM 7835 H1 H2O C2612 33.645 8.506 12.984 0.00 0.00 -ATOM 7836 H2 H2O C2612 34.243 8.024 11.543 0.00 0.00 -ATOM 7837 O1 H2O C2613 38.767 48.843 2.898 0.00 0.00 -ATOM 7838 H1 H2O C2613 39.097 47.906 2.779 0.00 0.00 -ATOM 7839 H2 H2O C2613 38.720 49.295 2.007 0.00 0.00 -ATOM 7840 O1 H2O C2614 12.059 5.091 7.799 0.00 0.00 -ATOM 7841 H1 H2O C2614 12.560 4.225 7.795 0.00 0.00 -ATOM 7842 H2 H2O C2614 12.252 5.591 6.955 0.00 0.00 -ATOM 7843 O1 H2O C2615 5.090 4.286 1.258 0.00 0.00 -ATOM 7844 H1 H2O C2615 4.406 3.718 0.801 0.00 0.00 -ATOM 7845 H2 H2O C2615 5.985 4.133 0.838 0.00 0.00 -ATOM 7846 O1 H2O C2616 12.371 32.024 35.155 0.00 0.00 -ATOM 7847 H1 H2O C2616 13.123 31.678 34.594 0.00 0.00 -ATOM 7848 H2 H2O C2616 12.357 31.540 36.029 0.00 0.00 -ATOM 7849 O1 H2O C2617 53.334 26.160 59.299 0.00 0.00 -ATOM 7850 H1 H2O C2617 52.520 25.727 59.686 0.00 0.00 -ATOM 7851 H2 H2O C2617 53.777 25.527 58.663 0.00 0.00 -ATOM 7852 O1 H2O C2618 40.842 28.438 4.369 0.00 0.00 -ATOM 7853 H1 H2O C2618 39.998 28.051 3.997 0.00 0.00 -ATOM 7854 H2 H2O C2618 41.618 27.869 4.095 0.00 0.00 -ATOM 7855 O1 H2O C2619 14.155 4.185 29.411 0.00 0.00 -ATOM 7856 H1 H2O C2619 14.168 4.831 30.175 0.00 0.00 -ATOM 7857 H2 H2O C2619 14.305 3.258 29.755 0.00 0.00 -ATOM 7858 O1 H2O C2620 46.538 3.166 44.393 0.00 0.00 -ATOM 7859 H1 H2O C2620 47.434 2.775 44.181 0.00 0.00 -ATOM 7860 H2 H2O C2620 45.938 2.451 44.749 0.00 0.00 -ATOM 7861 O1 H2O C2621 31.816 6.230 15.404 0.00 0.00 -ATOM 7862 H1 H2O C2621 32.341 5.380 15.456 0.00 0.00 -ATOM 7863 H2 H2O C2621 32.445 7.009 15.411 0.00 0.00 -ATOM 7864 O1 H2O C2622 18.992 23.000 22.850 0.00 0.00 -ATOM 7865 H1 H2O C2622 18.895 22.677 23.791 0.00 0.00 -ATOM 7866 H2 H2O C2622 18.549 22.353 22.229 0.00 0.00 -ATOM 7867 O1 H2O C2623 41.459 29.493 57.379 0.00 0.00 -ATOM 7868 H1 H2O C2623 40.569 29.842 57.673 0.00 0.00 -ATOM 7869 H2 H2O C2623 41.535 28.527 57.624 0.00 0.00 -ATOM 7870 O1 H2O C2624 9.946 23.892 41.087 0.00 0.00 -ATOM 7871 H1 H2O C2624 9.678 24.846 41.225 0.00 0.00 -ATOM 7872 H2 H2O C2624 10.344 23.786 40.175 0.00 0.00 -ATOM 7873 O1 H2O C2625 5.090 9.600 20.218 0.00 0.00 -ATOM 7874 H1 H2O C2625 4.501 9.829 19.443 0.00 0.00 -ATOM 7875 H2 H2O C2625 5.699 10.369 20.412 0.00 0.00 -ATOM 7876 O1 H2O C2626 28.984 13.199 13.770 0.00 0.00 -ATOM 7877 H1 H2O C2626 28.714 13.203 12.807 0.00 0.00 -ATOM 7878 H2 H2O C2626 28.452 13.884 14.269 0.00 0.00 -ATOM 7879 O1 H2O C2627 40.865 46.935 32.932 0.00 0.00 -ATOM 7880 H1 H2O C2627 40.523 46.251 33.575 0.00 0.00 -ATOM 7881 H2 H2O C2627 40.170 47.640 32.793 0.00 0.00 -ATOM 7882 O1 H2O C2628 24.767 16.107 27.366 0.00 0.00 -ATOM 7883 H1 H2O C2628 24.885 15.115 27.411 0.00 0.00 -ATOM 7884 H2 H2O C2628 24.081 16.331 26.674 0.00 0.00 -ATOM 7885 O1 H2O C2629 12.428 36.593 1.451 0.00 0.00 -ATOM 7886 H1 H2O C2629 11.805 36.571 0.669 0.00 0.00 -ATOM 7887 H2 H2O C2629 12.519 35.673 1.832 0.00 0.00 -ATOM 7888 O1 H2O C2630 35.550 53.464 9.366 0.00 0.00 -ATOM 7889 H1 H2O C2630 36.226 53.907 8.777 0.00 0.00 -ATOM 7890 H2 H2O C2630 35.543 52.481 9.184 0.00 0.00 -ATOM 7891 O1 H2O C2631 44.061 6.851 4.898 0.00 0.00 -ATOM 7892 H1 H2O C2631 44.349 5.926 5.146 0.00 0.00 -ATOM 7893 H2 H2O C2631 44.069 7.433 5.711 0.00 0.00 -ATOM 7894 O1 H2O C2632 36.157 53.327 24.196 0.00 0.00 -ATOM 7895 H1 H2O C2632 36.452 54.278 24.286 0.00 0.00 -ATOM 7896 H2 H2O C2632 36.760 52.738 24.734 0.00 0.00 -ATOM 7897 O1 H2O C2633 46.889 20.725 30.713 0.00 0.00 -ATOM 7898 H1 H2O C2633 46.145 20.186 30.318 0.00 0.00 -ATOM 7899 H2 H2O C2633 47.566 20.111 31.119 0.00 0.00 -ATOM 7900 O1 H2O C2634 56.851 37.567 20.239 0.00 0.00 -ATOM 7901 H1 H2O C2634 57.596 37.882 19.650 0.00 0.00 -ATOM 7902 H2 H2O C2634 56.075 37.287 19.674 0.00 0.00 -ATOM 7903 O1 H2O C2635 48.703 32.588 12.499 0.00 0.00 -ATOM 7904 H1 H2O C2635 48.786 33.493 12.915 0.00 0.00 -ATOM 7905 H2 H2O C2635 48.595 32.686 11.509 0.00 0.00 -ATOM 7906 O1 H2O C2636 50.738 0.028 4.665 0.00 0.00 -ATOM 7907 H1 H2O C2636 50.825 0.263 3.697 0.00 0.00 -ATOM 7908 H2 H2O C2636 51.645 -0.144 5.049 0.00 0.00 -ATOM 7909 O1 H2O C2637 36.974 17.369 45.834 0.00 0.00 -ATOM 7910 H1 H2O C2637 37.727 18.010 45.979 0.00 0.00 -ATOM 7911 H2 H2O C2637 36.493 17.604 44.989 0.00 0.00 -ATOM 7912 O1 H2O C2638 38.841 41.999 31.211 0.00 0.00 -ATOM 7913 H1 H2O C2638 37.972 42.258 31.632 0.00 0.00 -ATOM 7914 H2 H2O C2638 39.372 42.822 31.009 0.00 0.00 -ATOM 7915 O1 H2O C2639 17.625 35.000 19.433 0.00 0.00 -ATOM 7916 H1 H2O C2639 17.564 34.094 19.014 0.00 0.00 -ATOM 7917 H2 H2O C2639 18.042 35.639 18.787 0.00 0.00 -ATOM 7918 O1 H2O C2640 40.311 10.606 11.429 0.00 0.00 -ATOM 7919 H1 H2O C2640 39.420 10.713 10.988 0.00 0.00 -ATOM 7920 H2 H2O C2640 40.767 11.494 11.477 0.00 0.00 -ATOM 7921 O1 H2O C2641 19.828 51.916 23.844 0.00 0.00 -ATOM 7922 H1 H2O C2641 18.897 52.133 24.137 0.00 0.00 -ATOM 7923 H2 H2O C2641 19.817 51.080 23.294 0.00 0.00 -ATOM 7924 O1 H2O C2642 9.141 19.321 20.479 0.00 0.00 -ATOM 7925 H1 H2O C2642 8.328 19.706 20.041 0.00 0.00 -ATOM 7926 H2 H2O C2642 8.900 18.991 21.393 0.00 0.00 -ATOM 7927 O1 H2O C2643 2.972 58.998 30.192 0.00 0.00 -ATOM 7928 H1 H2O C2643 2.164 59.254 30.722 0.00 0.00 -ATOM 7929 H2 H2O C2643 3.061 59.609 29.405 0.00 0.00 -ATOM 7930 O1 H2O C2644 27.831 43.030 53.913 0.00 0.00 -ATOM 7931 H1 H2O C2644 28.226 42.458 54.632 0.00 0.00 -ATOM 7932 H2 H2O C2644 28.552 43.582 53.493 0.00 0.00 -ATOM 7933 O1 H2O C2645 54.774 19.442 50.943 0.00 0.00 -ATOM 7934 H1 H2O C2645 55.347 18.623 50.943 0.00 0.00 -ATOM 7935 H2 H2O C2645 55.326 20.235 50.684 0.00 0.00 -ATOM 7936 O1 H2O C2646 4.883 15.339 2.614 0.00 0.00 -ATOM 7937 H1 H2O C2646 4.562 14.431 2.343 0.00 0.00 -ATOM 7938 H2 H2O C2646 4.403 15.628 3.443 0.00 0.00 -ATOM 7939 O1 H2O C2647 27.167 7.416 46.125 0.00 0.00 -ATOM 7940 H1 H2O C2647 27.753 6.669 46.441 0.00 0.00 -ATOM 7941 H2 H2O C2647 27.668 8.279 46.182 0.00 0.00 -ATOM 7942 O1 H2O C2648 10.428 36.116 7.885 0.00 0.00 -ATOM 7943 H1 H2O C2648 11.110 36.823 8.075 0.00 0.00 -ATOM 7944 H2 H2O C2648 10.443 35.893 6.910 0.00 0.00 -ATOM 7945 O1 H2O C2649 30.477 31.011 33.620 0.00 0.00 -ATOM 7946 H1 H2O C2649 30.189 31.748 33.008 0.00 0.00 -ATOM 7947 H2 H2O C2649 30.060 31.142 34.519 0.00 0.00 -ATOM 7948 O1 H2O C2650 33.425 40.336 33.857 0.00 0.00 -ATOM 7949 H1 H2O C2650 32.929 41.203 33.908 0.00 0.00 -ATOM 7950 H2 H2O C2650 33.669 40.037 34.779 0.00 0.00 -ATOM 7951 O1 H2O C2651 38.704 41.310 25.488 0.00 0.00 -ATOM 7952 H1 H2O C2651 37.928 40.680 25.467 0.00 0.00 -ATOM 7953 H2 H2O C2651 39.037 41.398 26.427 0.00 0.00 -ATOM 7954 O1 H2O C2652 0.141 36.401 46.614 0.00 0.00 -ATOM 7955 H1 H2O C2652 1.024 36.049 46.925 0.00 0.00 -ATOM 7956 H2 H2O C2652 -0.581 35.754 46.861 0.00 0.00 -ATOM 7957 O1 H2O C2653 52.271 20.333 53.989 0.00 0.00 -ATOM 7958 H1 H2O C2653 51.735 19.526 54.234 0.00 0.00 -ATOM 7959 H2 H2O C2653 52.945 20.087 53.292 0.00 0.00 -ATOM 7960 O1 H2O C2654 27.893 21.885 28.649 0.00 0.00 -ATOM 7961 H1 H2O C2654 27.365 22.730 28.738 0.00 0.00 -ATOM 7962 H2 H2O C2654 27.281 21.136 28.394 0.00 0.00 -ATOM 7963 O1 H2O C2655 3.744 29.681 3.093 0.00 0.00 -ATOM 7964 H1 H2O C2655 3.575 28.712 3.272 0.00 0.00 -ATOM 7965 H2 H2O C2655 3.617 29.866 2.118 0.00 0.00 -ATOM 7966 O1 H2O C2656 47.697 17.355 22.525 0.00 0.00 -ATOM 7967 H1 H2O C2656 47.628 17.092 23.488 0.00 0.00 -ATOM 7968 H2 H2O C2656 48.400 16.802 22.078 0.00 0.00 -ATOM 7969 O1 H2O C2657 46.935 44.626 31.185 0.00 0.00 -ATOM 7970 H1 H2O C2657 46.633 44.366 30.268 0.00 0.00 -ATOM 7971 H2 H2O C2657 47.495 43.892 31.571 0.00 0.00 -ATOM 7972 O1 H2O C2658 51.022 18.508 20.973 0.00 0.00 -ATOM 7973 H1 H2O C2658 51.851 19.068 20.985 0.00 0.00 -ATOM 7974 H2 H2O C2658 50.892 18.126 20.058 0.00 0.00 -ATOM 7975 O1 H2O C2659 4.558 55.784 41.534 0.00 0.00 -ATOM 7976 H1 H2O C2659 4.999 56.668 41.690 0.00 0.00 -ATOM 7977 H2 H2O C2659 3.970 55.842 40.727 0.00 0.00 -ATOM 7978 O1 H2O C2660 30.445 24.119 56.607 0.00 0.00 -ATOM 7979 H1 H2O C2660 31.225 24.648 56.941 0.00 0.00 -ATOM 7980 H2 H2O C2660 29.710 24.144 57.285 0.00 0.00 -ATOM 7981 O1 H2O C2661 31.595 58.141 19.996 0.00 0.00 -ATOM 7982 H1 H2O C2661 32.025 57.239 20.047 0.00 0.00 -ATOM 7983 H2 H2O C2661 32.250 58.803 19.633 0.00 0.00 -ATOM 7984 O1 H2O C2662 32.955 23.249 50.768 0.00 0.00 -ATOM 7985 H1 H2O C2662 32.965 24.213 51.036 0.00 0.00 -ATOM 7986 H2 H2O C2662 33.527 23.123 49.957 0.00 0.00 -ATOM 7987 O1 H2O C2663 10.994 27.906 7.240 0.00 0.00 -ATOM 7988 H1 H2O C2663 11.418 27.881 6.335 0.00 0.00 -ATOM 7989 H2 H2O C2663 11.583 27.436 7.898 0.00 0.00 -ATOM 7990 O1 H2O C2664 39.103 51.106 29.651 0.00 0.00 -ATOM 7991 H1 H2O C2664 38.893 51.905 29.087 0.00 0.00 -ATOM 7992 H2 H2O C2664 38.445 50.379 29.457 0.00 0.00 -ATOM 7993 O1 H2O C2665 54.697 45.601 60.094 0.00 0.00 -ATOM 7994 H1 H2O C2665 54.861 44.998 59.313 0.00 0.00 -ATOM 7995 H2 H2O C2665 53.801 45.397 60.490 0.00 0.00 -ATOM 7996 O1 H2O C2666 16.321 37.045 19.768 0.00 0.00 -ATOM 7997 H1 H2O C2666 16.541 36.088 19.954 0.00 0.00 -ATOM 7998 H2 H2O C2666 16.725 37.625 20.475 0.00 0.00 -ATOM 7999 O1 H2O C2667 27.271 36.350 46.222 0.00 0.00 -ATOM 8000 H1 H2O C2667 27.407 37.180 45.681 0.00 0.00 -ATOM 8001 H2 H2O C2667 27.261 36.584 47.194 0.00 0.00 -ATOM 8002 O1 H2O C2668 31.711 13.434 57.725 0.00 0.00 -ATOM 8003 H1 H2O C2668 31.613 14.255 58.288 0.00 0.00 -ATOM 8004 H2 H2O C2668 30.916 13.346 57.124 0.00 0.00 -ATOM 8005 O1 H2O C2669 42.464 51.902 39.395 0.00 0.00 -ATOM 8006 H1 H2O C2669 41.628 51.777 38.861 0.00 0.00 -ATOM 8007 H2 H2O C2669 43.255 51.639 38.843 0.00 0.00 -ATOM 8008 O1 H2O C2670 39.914 46.076 57.832 0.00 0.00 -ATOM 8009 H1 H2O C2670 40.443 46.008 58.678 0.00 0.00 -ATOM 8010 H2 H2O C2670 40.538 46.126 57.052 0.00 0.00 -ATOM 8011 O1 H2O C2671 8.675 5.601 23.809 0.00 0.00 -ATOM 8012 H1 H2O C2671 7.700 5.711 23.615 0.00 0.00 -ATOM 8013 H2 H2O C2671 9.172 6.406 23.487 0.00 0.00 -ATOM 8014 O1 H2O C2672 22.477 1.672 58.443 0.00 0.00 -ATOM 8015 H1 H2O C2672 23.339 2.029 58.085 0.00 0.00 -ATOM 8016 H2 H2O C2672 21.798 2.406 58.473 0.00 0.00 -ATOM 8017 O1 H2O C2673 52.935 15.741 32.080 0.00 0.00 -ATOM 8018 H1 H2O C2673 52.126 15.157 32.016 0.00 0.00 -ATOM 8019 H2 H2O C2673 53.674 15.238 32.529 0.00 0.00 -ATOM 8020 O1 H2O C2674 16.940 46.770 43.050 0.00 0.00 -ATOM 8021 H1 H2O C2674 17.447 47.280 42.355 0.00 0.00 -ATOM 8022 H2 H2O C2674 17.547 46.102 43.482 0.00 0.00 -ATOM 8023 O1 H2O C2675 55.651 9.965 58.504 0.00 0.00 -ATOM 8024 H1 H2O C2675 55.050 9.500 57.854 0.00 0.00 -ATOM 8025 H2 H2O C2675 55.102 10.380 59.229 0.00 0.00 -ATOM 8026 O1 H2O C2676 12.010 18.100 42.122 0.00 0.00 -ATOM 8027 H1 H2O C2676 11.508 18.965 42.137 0.00 0.00 -ATOM 8028 H2 H2O C2676 12.648 18.098 41.352 0.00 0.00 -ATOM 8029 O1 H2O C2677 41.586 36.138 2.043 0.00 0.00 -ATOM 8030 H1 H2O C2677 41.870 35.716 1.181 0.00 0.00 -ATOM 8031 H2 H2O C2677 42.381 36.546 2.492 0.00 0.00 -ATOM 8032 O1 H2O C2678 50.942 26.938 21.753 0.00 0.00 -ATOM 8033 H1 H2O C2678 50.070 27.269 22.111 0.00 0.00 -ATOM 8034 H2 H2O C2678 51.663 27.102 22.426 0.00 0.00 -ATOM 8035 O1 H2O C2679 27.670 1.815 51.081 0.00 0.00 -ATOM 8036 H1 H2O C2679 26.778 1.863 51.531 0.00 0.00 -ATOM 8037 H2 H2O C2679 28.108 0.943 51.301 0.00 0.00 -ATOM 8038 O1 H2O C2680 40.884 3.024 52.588 0.00 0.00 -ATOM 8039 H1 H2O C2680 41.097 3.102 53.562 0.00 0.00 -ATOM 8040 H2 H2O C2680 41.615 3.444 52.051 0.00 0.00 -ATOM 8041 O1 H2O C2681 9.199 15.255 35.319 0.00 0.00 -ATOM 8042 H1 H2O C2681 8.848 15.563 36.204 0.00 0.00 -ATOM 8043 H2 H2O C2681 8.444 15.185 34.667 0.00 0.00 -ATOM 8044 O1 H2O C2682 32.908 12.115 48.889 0.00 0.00 -ATOM 8045 H1 H2O C2682 33.610 11.691 48.315 0.00 0.00 -ATOM 8046 H2 H2O C2682 32.507 12.891 48.404 0.00 0.00 -ATOM 8047 O1 H2O C2683 5.903 43.212 18.784 0.00 0.00 -ATOM 8048 H1 H2O C2683 6.110 44.188 18.717 0.00 0.00 -ATOM 8049 H2 H2O C2683 6.661 42.741 19.235 0.00 0.00 -ATOM 8050 O1 H2O C2684 27.999 41.058 37.051 0.00 0.00 -ATOM 8051 H1 H2O C2684 28.574 41.561 36.405 0.00 0.00 -ATOM 8052 H2 H2O C2684 27.266 40.595 36.553 0.00 0.00 -ATOM 8053 O1 H2O C2685 32.058 4.159 53.252 0.00 0.00 -ATOM 8054 H1 H2O C2685 32.318 3.612 54.048 0.00 0.00 -ATOM 8055 H2 H2O C2685 31.339 3.686 52.743 0.00 0.00 -ATOM 8056 O1 H2O C2686 39.316 38.732 11.026 0.00 0.00 -ATOM 8057 H1 H2O C2686 39.369 39.459 10.342 0.00 0.00 -ATOM 8058 H2 H2O C2686 38.977 39.109 11.888 0.00 0.00 -ATOM 8059 O1 H2O C2687 17.587 12.301 2.210 0.00 0.00 -ATOM 8060 H1 H2O C2687 17.667 12.035 3.171 0.00 0.00 -ATOM 8061 H2 H2O C2687 17.694 13.292 2.129 0.00 0.00 -ATOM 8062 O1 H2O C2688 51.004 11.797 53.650 0.00 0.00 -ATOM 8063 H1 H2O C2688 51.284 11.231 54.426 0.00 0.00 -ATOM 8064 H2 H2O C2688 51.683 11.721 52.920 0.00 0.00 -ATOM 8065 O1 H2O C2689 14.080 27.940 8.806 0.00 0.00 -ATOM 8066 H1 H2O C2689 14.070 28.754 9.388 0.00 0.00 -ATOM 8067 H2 H2O C2689 15.019 27.747 8.520 0.00 0.00 -ATOM 8068 O1 H2O C2690 41.946 27.416 25.021 0.00 0.00 -ATOM 8069 H1 H2O C2690 42.536 26.809 25.553 0.00 0.00 -ATOM 8070 H2 H2O C2690 41.045 26.996 24.913 0.00 0.00 -ATOM 8071 O1 H2O C2691 15.579 34.402 32.694 0.00 0.00 -ATOM 8072 H1 H2O C2691 16.092 34.018 31.926 0.00 0.00 -ATOM 8073 H2 H2O C2691 15.673 33.803 33.490 0.00 0.00 -ATOM 8074 O1 H2O C2692 3.348 35.879 41.288 0.00 0.00 -ATOM 8075 H1 H2O C2692 2.747 36.669 41.407 0.00 0.00 -ATOM 8076 H2 H2O C2692 2.967 35.272 40.591 0.00 0.00 -ATOM 8077 O1 H2O C2693 41.714 6.938 52.150 0.00 0.00 -ATOM 8078 H1 H2O C2693 41.681 7.188 53.118 0.00 0.00 -ATOM 8079 H2 H2O C2693 41.264 7.647 51.607 0.00 0.00 -ATOM 8080 O1 H2O C2694 20.392 0.592 58.980 0.00 0.00 -ATOM 8081 H1 H2O C2694 20.486 -0.403 58.972 0.00 0.00 -ATOM 8082 H2 H2O C2694 20.735 0.952 59.847 0.00 0.00 -ATOM 8083 O1 H2O C2695 5.618 15.619 5.962 0.00 0.00 -ATOM 8084 H1 H2O C2695 5.104 16.468 5.842 0.00 0.00 -ATOM 8085 H2 H2O C2695 6.346 15.571 5.278 0.00 0.00 -ATOM 8086 O1 H2O C2696 24.638 30.054 8.132 0.00 0.00 -ATOM 8087 H1 H2O C2696 25.124 30.782 8.615 0.00 0.00 -ATOM 8088 H2 H2O C2696 23.683 30.039 8.426 0.00 0.00 -ATOM 8089 O1 H2O C2697 15.966 46.333 33.081 0.00 0.00 -ATOM 8090 H1 H2O C2697 16.607 46.080 32.357 0.00 0.00 -ATOM 8091 H2 H2O C2697 15.035 46.334 32.716 0.00 0.00 -ATOM 8092 O1 H2O C2698 16.751 7.317 28.702 0.00 0.00 -ATOM 8093 H1 H2O C2698 16.148 7.640 27.972 0.00 0.00 -ATOM 8094 H2 H2O C2698 17.405 6.659 28.328 0.00 0.00 -ATOM 8095 O1 H2O C2699 2.556 54.401 15.591 0.00 0.00 -ATOM 8096 H1 H2O C2699 2.426 55.374 15.402 0.00 0.00 -ATOM 8097 H2 H2O C2699 1.679 53.990 15.840 0.00 0.00 -ATOM 8098 O1 H2O C2700 24.174 14.505 4.471 0.00 0.00 -ATOM 8099 H1 H2O C2700 24.770 13.779 4.813 0.00 0.00 -ATOM 8100 H2 H2O C2700 23.227 14.183 4.464 0.00 0.00 -ATOM 8101 O1 H2O C2701 10.005 22.877 21.944 0.00 0.00 -ATOM 8102 H1 H2O C2701 10.792 22.344 22.256 0.00 0.00 -ATOM 8103 H2 H2O C2701 10.316 23.592 21.317 0.00 0.00 -ATOM 8104 O1 H2O C2702 35.912 11.986 45.063 0.00 0.00 -ATOM 8105 H1 H2O C2702 36.143 12.319 44.148 0.00 0.00 -ATOM 8106 H2 H2O C2702 35.373 12.678 45.542 0.00 0.00 -ATOM 8107 O1 H2O C2703 55.320 6.621 33.745 0.00 0.00 -ATOM 8108 H1 H2O C2703 56.061 7.125 33.303 0.00 0.00 -ATOM 8109 H2 H2O C2703 55.616 6.318 34.650 0.00 0.00 -ATOM 8110 O1 H2O C2704 16.909 11.289 16.901 0.00 0.00 -ATOM 8111 H1 H2O C2704 17.401 12.090 17.242 0.00 0.00 -ATOM 8112 H2 H2O C2704 17.218 10.475 17.393 0.00 0.00 -ATOM 8113 O1 H2O C2705 45.286 17.724 49.142 0.00 0.00 -ATOM 8114 H1 H2O C2705 45.156 17.557 48.165 0.00 0.00 -ATOM 8115 H2 H2O C2705 44.449 18.111 49.528 0.00 0.00 -ATOM 8116 O1 H2O C2706 56.747 5.652 20.590 0.00 0.00 -ATOM 8117 H1 H2O C2706 56.064 6.382 20.628 0.00 0.00 -ATOM 8118 H2 H2O C2706 57.613 6.022 20.255 0.00 0.00 -ATOM 8119 O1 H2O C2707 15.525 52.940 40.112 0.00 0.00 -ATOM 8120 H1 H2O C2707 16.453 53.246 39.900 0.00 0.00 -ATOM 8121 H2 H2O C2707 15.552 52.298 40.879 0.00 0.00 -ATOM 8122 O1 H2O C2708 25.494 29.838 17.868 0.00 0.00 -ATOM 8123 H1 H2O C2708 25.083 29.622 18.753 0.00 0.00 -ATOM 8124 H2 H2O C2708 24.772 30.044 17.207 0.00 0.00 -ATOM 8125 O1 H2O C2709 43.709 57.112 23.431 0.00 0.00 -ATOM 8126 H1 H2O C2709 44.200 57.887 23.829 0.00 0.00 -ATOM 8127 H2 H2O C2709 43.578 57.268 22.452 0.00 0.00 -ATOM 8128 O1 H2O C2710 21.883 30.855 40.001 0.00 0.00 -ATOM 8129 H1 H2O C2710 21.268 31.175 40.722 0.00 0.00 -ATOM 8130 H2 H2O C2710 22.810 31.183 40.183 0.00 0.00 -ATOM 8131 O1 H2O C2711 31.115 33.464 10.477 0.00 0.00 -ATOM 8132 H1 H2O C2711 30.385 32.843 10.761 0.00 0.00 -ATOM 8133 H2 H2O C2711 31.975 33.185 10.905 0.00 0.00 -ATOM 8134 O1 H2O C2712 41.608 15.529 21.109 0.00 0.00 -ATOM 8135 H1 H2O C2712 41.584 16.505 20.891 0.00 0.00 -ATOM 8136 H2 H2O C2712 42.417 15.114 20.690 0.00 0.00 -ATOM 8137 O1 H2O C2713 3.892 31.397 33.606 0.00 0.00 -ATOM 8138 H1 H2O C2713 4.088 32.254 34.084 0.00 0.00 -ATOM 8139 H2 H2O C2713 3.089 31.518 33.022 0.00 0.00 -ATOM 8140 O1 H2O C2714 14.648 46.411 36.247 0.00 0.00 -ATOM 8141 H1 H2O C2714 13.743 46.419 36.674 0.00 0.00 -ATOM 8142 H2 H2O C2714 14.579 46.022 35.328 0.00 0.00 -ATOM 8143 O1 H2O C2715 39.408 16.562 31.006 0.00 0.00 -ATOM 8144 H1 H2O C2715 38.580 17.061 31.260 0.00 0.00 -ATOM 8145 H2 H2O C2715 40.210 17.128 31.197 0.00 0.00 -ATOM 8146 O1 H2O C2716 17.124 19.988 38.228 0.00 0.00 -ATOM 8147 H1 H2O C2716 16.739 19.187 37.770 0.00 0.00 -ATOM 8148 H2 H2O C2716 18.035 20.176 37.862 0.00 0.00 -ATOM 8149 O1 H2O C2717 21.968 16.638 50.756 0.00 0.00 -ATOM 8150 H1 H2O C2717 22.440 15.915 51.259 0.00 0.00 -ATOM 8151 H2 H2O C2717 21.701 17.365 51.388 0.00 0.00 -ATOM 8152 O1 H2O C2718 9.966 18.951 23.145 0.00 0.00 -ATOM 8153 H1 H2O C2718 9.389 19.768 23.175 0.00 0.00 -ATOM 8154 H2 H2O C2718 9.837 18.485 22.270 0.00 0.00 -ATOM 8155 O1 H2O C2719 48.920 9.661 30.325 0.00 0.00 -ATOM 8156 H1 H2O C2719 49.092 10.471 29.765 0.00 0.00 -ATOM 8157 H2 H2O C2719 49.050 8.839 29.771 0.00 0.00 -ATOM 8158 O1 H2O C2720 59.691 23.145 12.105 0.00 0.00 -ATOM 8159 H1 H2O C2720 58.809 23.599 11.979 0.00 0.00 -ATOM 8160 H2 H2O C2720 59.854 22.999 13.081 0.00 0.00 -ATOM 8161 O1 H2O C2721 32.869 39.291 46.173 0.00 0.00 -ATOM 8162 H1 H2O C2721 31.956 39.092 46.528 0.00 0.00 -ATOM 8163 H2 H2O C2721 33.173 38.537 45.592 0.00 0.00 -ATOM 8164 O1 H2O C2722 51.449 5.759 46.490 0.00 0.00 -ATOM 8165 H1 H2O C2722 50.752 5.182 46.916 0.00 0.00 -ATOM 8166 H2 H2O C2722 51.525 6.618 46.997 0.00 0.00 -ATOM 8167 O1 H2O C2723 7.751 24.214 8.900 0.00 0.00 -ATOM 8168 H1 H2O C2723 8.717 24.467 8.939 0.00 0.00 -ATOM 8169 H2 H2O C2723 7.656 23.330 8.442 0.00 0.00 -ATOM 8170 O1 H2O C2724 36.415 49.995 27.134 0.00 0.00 -ATOM 8171 H1 H2O C2724 35.425 49.868 27.084 0.00 0.00 -ATOM 8172 H2 H2O C2724 36.621 50.805 27.683 0.00 0.00 -ATOM 8173 O1 H2O C2725 35.718 49.535 38.094 0.00 0.00 -ATOM 8174 H1 H2O C2725 36.150 49.744 38.972 0.00 0.00 -ATOM 8175 H2 H2O C2725 36.420 49.466 37.386 0.00 0.00 -ATOM 8176 O1 H2O C2726 25.961 8.279 56.995 0.00 0.00 -ATOM 8177 H1 H2O C2726 26.447 8.445 57.853 0.00 0.00 -ATOM 8178 H2 H2O C2726 25.019 8.607 57.078 0.00 0.00 -ATOM 8179 O1 H2O C2727 54.516 42.668 1.763 0.00 0.00 -ATOM 8180 H1 H2O C2727 53.848 42.380 2.449 0.00 0.00 -ATOM 8181 H2 H2O C2727 55.066 43.419 2.128 0.00 0.00 -ATOM 8182 O1 H2O C2728 41.471 38.192 59.566 0.00 0.00 -ATOM 8183 H1 H2O C2728 41.152 37.315 59.926 0.00 0.00 -ATOM 8184 H2 H2O C2728 41.748 38.080 58.612 0.00 0.00 -ATOM 8185 O1 H2O C2729 40.290 22.085 8.705 0.00 0.00 -ATOM 8186 H1 H2O C2729 39.890 22.769 8.095 0.00 0.00 -ATOM 8187 H2 H2O C2729 39.920 22.203 9.627 0.00 0.00 -ATOM 8188 O1 H2O C2730 25.869 58.317 11.389 0.00 0.00 -ATOM 8189 H1 H2O C2730 25.535 57.379 11.479 0.00 0.00 -ATOM 8190 H2 H2O C2730 26.448 58.388 10.576 0.00 0.00 -ATOM 8191 O1 H2O C2731 31.766 17.409 44.655 0.00 0.00 -ATOM 8192 H1 H2O C2731 32.581 17.025 44.223 0.00 0.00 -ATOM 8193 H2 H2O C2731 31.441 18.190 44.121 0.00 0.00 -ATOM 8194 O1 H2O C2732 47.263 58.425 54.149 0.00 0.00 -ATOM 8195 H1 H2O C2732 47.848 57.666 54.438 0.00 0.00 -ATOM 8196 H2 H2O C2732 47.833 59.198 53.871 0.00 0.00 -ATOM 8197 O1 H2O C2733 52.739 41.640 45.461 0.00 0.00 -ATOM 8198 H1 H2O C2733 52.625 40.890 44.809 0.00 0.00 -ATOM 8199 H2 H2O C2733 52.459 42.499 45.034 0.00 0.00 -ATOM 8200 O1 H2O C2734 47.144 53.974 50.311 0.00 0.00 -ATOM 8201 H1 H2O C2734 46.809 54.157 51.236 0.00 0.00 -ATOM 8202 H2 H2O C2734 47.184 54.830 49.796 0.00 0.00 -ATOM 8203 O1 H2O C2735 40.716 35.083 27.296 0.00 0.00 -ATOM 8204 H1 H2O C2735 41.512 34.557 26.997 0.00 0.00 -ATOM 8205 H2 H2O C2735 40.690 35.109 28.295 0.00 0.00 -ATOM 8206 O1 H2O C2736 11.302 4.451 41.547 0.00 0.00 -ATOM 8207 H1 H2O C2736 11.130 4.554 42.527 0.00 0.00 -ATOM 8208 H2 H2O C2736 11.824 3.613 41.387 0.00 0.00 -ATOM 8209 O1 H2O C2737 55.157 56.031 21.105 0.00 0.00 -ATOM 8210 H1 H2O C2737 54.211 56.241 21.354 0.00 0.00 -ATOM 8211 H2 H2O C2737 55.778 56.491 21.740 0.00 0.00 -ATOM 8212 O1 H2O C2738 21.677 17.211 38.174 0.00 0.00 -ATOM 8213 H1 H2O C2738 22.054 17.910 38.781 0.00 0.00 -ATOM 8214 H2 H2O C2738 22.382 16.530 37.972 0.00 0.00 -ATOM 8215 O1 H2O C2739 55.715 38.632 20.766 0.00 0.00 -ATOM 8216 H1 H2O C2739 56.656 38.909 20.965 0.00 0.00 -ATOM 8217 H2 H2O C2739 55.563 38.656 19.777 0.00 0.00 -ATOM 8218 O1 H2O C2740 55.297 24.512 50.917 0.00 0.00 -ATOM 8219 H1 H2O C2740 55.300 23.810 51.629 0.00 0.00 -ATOM 8220 H2 H2O C2740 54.400 24.953 50.887 0.00 0.00 -ATOM 8221 O1 H2O C2741 31.025 7.354 28.285 0.00 0.00 -ATOM 8222 H1 H2O C2741 30.078 7.605 28.084 0.00 0.00 -ATOM 8223 H2 H2O C2741 31.460 7.003 27.456 0.00 0.00 -ATOM 8224 O1 H2O C2742 59.624 25.435 47.476 0.00 0.00 -ATOM 8225 H1 H2O C2742 60.076 25.780 48.299 0.00 0.00 -ATOM 8226 H2 H2O C2742 58.795 24.938 47.735 0.00 0.00 -ATOM 8227 O1 H2O C2743 4.387 40.611 11.777 0.00 0.00 -ATOM 8228 H1 H2O C2743 3.973 39.810 11.345 0.00 0.00 -ATOM 8229 H2 H2O C2743 4.643 41.274 11.073 0.00 0.00 -ATOM 8230 O1 H2O C2744 36.932 25.544 16.072 0.00 0.00 -ATOM 8231 H1 H2O C2744 37.519 26.252 15.680 0.00 0.00 -ATOM 8232 H2 H2O C2744 36.043 25.558 15.614 0.00 0.00 -ATOM 8233 O1 H2O C2745 51.571 5.786 50.966 0.00 0.00 -ATOM 8234 H1 H2O C2745 52.032 5.177 51.612 0.00 0.00 -ATOM 8235 H2 H2O C2745 51.232 5.254 50.191 0.00 0.00 -ATOM 8236 O1 H2O C2746 56.147 23.283 15.196 0.00 0.00 -ATOM 8237 H1 H2O C2746 56.010 22.332 15.472 0.00 0.00 -ATOM 8238 H2 H2O C2746 55.424 23.852 15.589 0.00 0.00 -ATOM 8239 O1 H2O C2747 17.333 56.185 22.522 0.00 0.00 -ATOM 8240 H1 H2O C2747 18.049 55.661 22.062 0.00 0.00 -ATOM 8241 H2 H2O C2747 17.744 56.955 23.010 0.00 0.00 -ATOM 8242 O1 H2O C2748 15.796 35.989 1.017 0.00 0.00 -ATOM 8243 H1 H2O C2748 16.007 35.488 0.178 0.00 0.00 -ATOM 8244 H2 H2O C2748 15.464 35.351 1.712 0.00 0.00 -ATOM 8245 O1 H2O C2749 4.335 10.163 24.621 0.00 0.00 -ATOM 8246 H1 H2O C2749 5.050 10.341 25.298 0.00 0.00 -ATOM 8247 H2 H2O C2749 4.491 9.272 24.197 0.00 0.00 -ATOM 8248 O1 H2O C2750 43.958 6.781 21.962 0.00 0.00 -ATOM 8249 H1 H2O C2750 42.976 6.964 21.906 0.00 0.00 -ATOM 8250 H2 H2O C2750 44.200 6.549 22.904 0.00 0.00 -ATOM 8251 O1 H2O C2751 54.751 1.549 34.916 0.00 0.00 -ATOM 8252 H1 H2O C2751 54.603 0.728 34.364 0.00 0.00 -ATOM 8253 H2 H2O C2751 54.804 2.348 34.317 0.00 0.00 -ATOM 8254 O1 H2O C2752 22.648 8.251 46.856 0.00 0.00 -ATOM 8255 H1 H2O C2752 22.406 7.600 47.576 0.00 0.00 -ATOM 8256 H2 H2O C2752 21.821 8.713 46.533 0.00 0.00 -ATOM 8257 O1 H2O C2753 13.492 16.304 41.349 0.00 0.00 -ATOM 8258 H1 H2O C2753 13.664 15.890 40.455 0.00 0.00 -ATOM 8259 H2 H2O C2753 14.362 16.453 41.819 0.00 0.00 -ATOM 8260 O1 H2O C2754 7.474 0.210 20.085 0.00 0.00 -ATOM 8261 H1 H2O C2754 7.068 0.754 19.351 0.00 0.00 -ATOM 8262 H2 H2O C2754 7.221 -0.750 19.968 0.00 0.00 -ATOM 8263 O1 H2O C2755 53.741 25.910 31.075 0.00 0.00 -ATOM 8264 H1 H2O C2755 52.795 25.968 31.393 0.00 0.00 -ATOM 8265 H2 H2O C2755 53.775 26.101 30.094 0.00 0.00 -ATOM 8266 O1 H2O C2756 8.411 56.536 13.835 0.00 0.00 -ATOM 8267 H1 H2O C2756 7.973 56.545 12.936 0.00 0.00 -ATOM 8268 H2 H2O C2756 8.770 57.447 14.039 0.00 0.00 -ATOM 8269 O1 H2O C2757 37.278 28.640 13.253 0.00 0.00 -ATOM 8270 H1 H2O C2757 36.564 28.008 13.555 0.00 0.00 -ATOM 8271 H2 H2O C2757 37.493 28.465 12.292 0.00 0.00 -ATOM 8272 O1 H2O C2758 14.490 14.694 56.929 0.00 0.00 -ATOM 8273 H1 H2O C2758 14.293 15.076 56.026 0.00 0.00 -ATOM 8274 H2 H2O C2758 14.879 15.406 57.514 0.00 0.00 -ATOM 8275 O1 H2O C2759 35.973 53.533 -0.122 0.00 0.00 -ATOM 8276 H1 H2O C2759 35.468 53.710 0.723 0.00 0.00 -ATOM 8277 H2 H2O C2759 36.955 53.554 0.065 0.00 0.00 -ATOM 8278 O1 H2O C2760 3.350 36.402 32.422 0.00 0.00 -ATOM 8279 H1 H2O C2760 4.087 35.752 32.235 0.00 0.00 -ATOM 8280 H2 H2O C2760 2.685 35.983 33.040 0.00 0.00 -ATOM 8281 O1 H2O C2761 6.510 49.345 28.848 0.00 0.00 -ATOM 8282 H1 H2O C2761 7.224 49.327 28.148 0.00 0.00 -ATOM 8283 H2 H2O C2761 5.678 49.749 28.465 0.00 0.00 -ATOM 8284 O1 H2O C2762 37.251 16.006 36.717 0.00 0.00 -ATOM 8285 H1 H2O C2762 38.038 16.588 36.921 0.00 0.00 -ATOM 8286 H2 H2O C2762 37.513 15.315 36.044 0.00 0.00 -ATOM 8287 O1 H2O C2763 52.035 20.815 8.679 0.00 0.00 -ATOM 8288 H1 H2O C2763 51.886 19.916 8.268 0.00 0.00 -ATOM 8289 H2 H2O C2763 52.342 20.704 9.624 0.00 0.00 -ATOM 8290 O1 H2O C2764 38.648 4.513 49.734 0.00 0.00 -ATOM 8291 H1 H2O C2764 39.169 3.821 49.234 0.00 0.00 -ATOM 8292 H2 H2O C2764 37.995 4.950 49.115 0.00 0.00 -ATOM 8293 O1 H2O C2765 19.154 57.659 15.577 0.00 0.00 -ATOM 8294 H1 H2O C2765 19.804 57.914 16.293 0.00 0.00 -ATOM 8295 H2 H2O C2765 18.705 56.801 15.825 0.00 0.00 -ATOM 8296 O1 H2O C2766 39.513 42.986 18.163 0.00 0.00 -ATOM 8297 H1 H2O C2766 38.997 42.171 18.425 0.00 0.00 -ATOM 8298 H2 H2O C2766 40.024 43.325 18.952 0.00 0.00 -ATOM 8299 O1 H2O C2767 42.997 29.217 28.534 0.00 0.00 -ATOM 8300 H1 H2O C2767 43.290 30.040 28.047 0.00 0.00 -ATOM 8301 H2 H2O C2767 41.999 29.168 28.536 0.00 0.00 -ATOM 8302 O1 H2O C2768 35.139 25.918 32.890 0.00 0.00 -ATOM 8303 H1 H2O C2768 35.379 25.094 32.377 0.00 0.00 -ATOM 8304 H2 H2O C2768 34.678 26.567 32.284 0.00 0.00 -ATOM 8305 O1 H2O C2769 7.712 52.903 17.011 0.00 0.00 -ATOM 8306 H1 H2O C2769 8.695 53.086 16.982 0.00 0.00 -ATOM 8307 H2 H2O C2769 7.327 53.288 17.850 0.00 0.00 -ATOM 8308 O1 H2O C2770 59.383 34.753 9.349 0.00 0.00 -ATOM 8309 H1 H2O C2770 59.528 34.670 10.335 0.00 0.00 -ATOM 8310 H2 H2O C2770 60.248 34.599 8.871 0.00 0.00 -ATOM 8311 O1 H2O C2771 16.277 9.121 10.808 0.00 0.00 -ATOM 8312 H1 H2O C2771 16.798 8.932 11.640 0.00 0.00 -ATOM 8313 H2 H2O C2771 16.089 8.262 10.331 0.00 0.00 -ATOM 8314 O1 H2O C2772 6.763 59.706 4.299 0.00 0.00 -ATOM 8315 H1 H2O C2772 7.697 59.476 4.571 0.00 0.00 -ATOM 8316 H2 H2O C2772 6.785 60.254 3.462 0.00 0.00 -ATOM 8317 O1 H2O C2773 14.030 55.108 34.122 0.00 0.00 -ATOM 8318 H1 H2O C2773 14.496 55.505 33.331 0.00 0.00 -ATOM 8319 H2 H2O C2773 14.677 55.020 34.880 0.00 0.00 -ATOM 8320 O1 H2O C2774 21.315 24.161 34.973 0.00 0.00 -ATOM 8321 H1 H2O C2774 21.538 25.086 34.663 0.00 0.00 -ATOM 8322 H2 H2O C2774 20.467 24.183 35.502 0.00 0.00 -ATOM 8323 O1 H2O C2775 51.764 39.768 44.197 0.00 0.00 -ATOM 8324 H1 H2O C2775 52.671 39.346 44.200 0.00 0.00 -ATOM 8325 H2 H2O C2775 51.604 40.208 43.314 0.00 0.00 -ATOM 8326 O1 H2O C2776 49.738 28.880 20.147 0.00 0.00 -ATOM 8327 H1 H2O C2776 49.750 27.970 20.562 0.00 0.00 -ATOM 8328 H2 H2O C2776 50.242 28.860 19.284 0.00 0.00 -ATOM 8329 O1 H2O C2777 30.768 17.292 11.592 0.00 0.00 -ATOM 8330 H1 H2O C2777 31.672 17.695 11.451 0.00 0.00 -ATOM 8331 H2 H2O C2777 30.382 17.022 10.709 0.00 0.00 -ATOM 8332 O1 H2O C2778 54.583 8.232 55.986 0.00 0.00 -ATOM 8333 H1 H2O C2778 55.487 8.180 55.561 0.00 0.00 -ATOM 8334 H2 H2O C2778 54.011 7.487 55.644 0.00 0.00 -ATOM 8335 O1 H2O C2779 46.150 58.475 5.582 0.00 0.00 -ATOM 8336 H1 H2O C2779 46.837 59.198 5.511 0.00 0.00 -ATOM 8337 H2 H2O C2779 46.572 57.592 5.377 0.00 0.00 -ATOM 8338 O1 H2O C2780 38.481 15.336 50.176 0.00 0.00 -ATOM 8339 H1 H2O C2780 38.900 16.170 50.535 0.00 0.00 -ATOM 8340 H2 H2O C2780 37.620 15.163 50.655 0.00 0.00 -ATOM 8341 O1 H2O C2781 17.007 38.502 7.144 0.00 0.00 -ATOM 8342 H1 H2O C2781 17.591 37.731 7.398 0.00 0.00 -ATOM 8343 H2 H2O C2781 16.090 38.167 6.925 0.00 0.00 -ATOM 8344 O1 H2O C2782 33.157 21.921 28.955 0.00 0.00 -ATOM 8345 H1 H2O C2782 33.977 22.171 28.440 0.00 0.00 -ATOM 8346 H2 H2O C2782 33.044 22.546 29.727 0.00 0.00 -ATOM 8347 O1 H2O C2783 22.146 38.916 36.657 0.00 0.00 -ATOM 8348 H1 H2O C2783 22.033 37.963 36.938 0.00 0.00 -ATOM 8349 H2 H2O C2783 22.564 39.436 37.402 0.00 0.00 -ATOM 8350 O1 H2O C2784 51.336 1.947 11.266 0.00 0.00 -ATOM 8351 H1 H2O C2784 50.545 2.559 11.245 0.00 0.00 -ATOM 8352 H2 H2O C2784 51.114 1.134 11.805 0.00 0.00 -ATOM 8353 O1 H2O C2785 35.860 5.253 15.065 0.00 0.00 -ATOM 8354 H1 H2O C2785 35.286 5.873 14.530 0.00 0.00 -ATOM 8355 H2 H2O C2785 36.737 5.693 15.258 0.00 0.00 -ATOM 8356 O1 H2O C2786 37.345 30.238 1.358 0.00 0.00 -ATOM 8357 H1 H2O C2786 37.010 30.592 2.231 0.00 0.00 -ATOM 8358 H2 H2O C2786 38.269 29.874 1.478 0.00 0.00 -ATOM 8359 O1 H2O C2787 57.071 11.296 54.488 0.00 0.00 -ATOM 8360 H1 H2O C2787 57.441 11.149 53.571 0.00 0.00 -ATOM 8361 H2 H2O C2787 56.476 10.532 54.734 0.00 0.00 -ATOM 8362 O1 H2O C2788 46.675 35.012 16.284 0.00 0.00 -ATOM 8363 H1 H2O C2788 46.147 35.338 15.501 0.00 0.00 -ATOM 8364 H2 H2O C2788 46.146 34.324 16.781 0.00 0.00 -ATOM 8365 O1 H2O C2789 37.555 15.989 57.540 0.00 0.00 -ATOM 8366 H1 H2O C2789 37.545 16.856 58.037 0.00 0.00 -ATOM 8367 H2 H2O C2789 38.302 15.418 57.881 0.00 0.00 -ATOM 8368 O1 H2O C2790 35.104 23.295 39.640 0.00 0.00 -ATOM 8369 H1 H2O C2790 34.131 23.089 39.545 0.00 0.00 -ATOM 8370 H2 H2O C2790 35.497 22.729 40.364 0.00 0.00 -ATOM 8371 O1 H2O C2791 41.096 16.429 1.260 0.00 0.00 -ATOM 8372 H1 H2O C2791 40.115 16.619 1.296 0.00 0.00 -ATOM 8373 H2 H2O C2791 41.244 15.440 1.257 0.00 0.00 -ATOM 8374 O1 H2O C2792 34.969 40.064 38.197 0.00 0.00 -ATOM 8375 H1 H2O C2792 34.583 39.339 38.769 0.00 0.00 -ATOM 8376 H2 H2O C2792 35.801 39.730 37.753 0.00 0.00 -ATOM 8377 O1 H2O C2793 56.189 34.345 9.225 0.00 0.00 -ATOM 8378 H1 H2O C2793 55.849 33.542 9.715 0.00 0.00 -ATOM 8379 H2 H2O C2793 56.493 35.033 9.883 0.00 0.00 -ATOM 8380 O1 H2O C2794 6.841 4.534 4.318 0.00 0.00 -ATOM 8381 H1 H2O C2794 5.898 4.818 4.497 0.00 0.00 -ATOM 8382 H2 H2O C2794 7.328 4.430 5.185 0.00 0.00 -ATOM 8383 O1 H2O C2795 0.557 30.770 32.380 0.00 0.00 -ATOM 8384 H1 H2O C2795 0.681 31.049 31.427 0.00 0.00 -ATOM 8385 H2 H2O C2795 0.089 31.497 32.881 0.00 0.00 -ATOM 8386 O1 H2O C2796 50.163 3.362 5.975 0.00 0.00 -ATOM 8387 H1 H2O C2796 50.154 2.404 5.688 0.00 0.00 -ATOM 8388 H2 H2O C2796 49.794 3.435 6.901 0.00 0.00 -ATOM 8389 O1 H2O C2797 12.592 51.222 46.230 0.00 0.00 -ATOM 8390 H1 H2O C2797 12.600 50.530 46.951 0.00 0.00 -ATOM 8391 H2 H2O C2797 11.656 51.548 46.092 0.00 0.00 -ATOM 8392 O1 H2O C2798 17.022 41.690 54.102 0.00 0.00 -ATOM 8393 H1 H2O C2798 16.990 41.488 53.123 0.00 0.00 -ATOM 8394 H2 H2O C2798 16.733 40.883 54.618 0.00 0.00 -ATOM 8395 O1 H2O C2799 23.884 6.775 32.728 0.00 0.00 -ATOM 8396 H1 H2O C2799 24.480 5.972 32.736 0.00 0.00 -ATOM 8397 H2 H2O C2799 22.933 6.484 32.623 0.00 0.00 -ATOM 8398 O1 H2O C2800 47.995 19.842 1.964 0.00 0.00 -ATOM 8399 H1 H2O C2800 48.513 19.275 1.323 0.00 0.00 -ATOM 8400 H2 H2O C2800 48.556 20.618 2.251 0.00 0.00 -ATOM 8401 O1 H2O C2801 43.039 9.106 21.877 0.00 0.00 -ATOM 8402 H1 H2O C2801 42.585 9.956 21.607 0.00 0.00 -ATOM 8403 H2 H2O C2801 43.876 9.321 22.379 0.00 0.00 -ATOM 8404 O1 H2O C2802 36.267 50.936 42.284 0.00 0.00 -ATOM 8405 H1 H2O C2802 35.913 51.827 42.574 0.00 0.00 -ATOM 8406 H2 H2O C2802 35.937 50.228 42.909 0.00 0.00 -ATOM 8407 O1 H2O C2803 24.474 -0.119 58.483 0.00 0.00 -ATOM 8408 H1 H2O C2803 23.991 0.757 58.496 0.00 0.00 -ATOM 8409 H2 H2O C2803 25.454 0.043 58.365 0.00 0.00 -ATOM 8410 O1 H2O C2804 52.836 52.362 8.028 0.00 0.00 -ATOM 8411 H1 H2O C2804 53.204 53.193 8.444 0.00 0.00 -ATOM 8412 H2 H2O C2804 52.768 51.644 8.721 0.00 0.00 -ATOM 8413 O1 H2O C2805 31.694 49.822 0.620 0.00 0.00 -ATOM 8414 H1 H2O C2805 31.332 48.990 0.200 0.00 0.00 -ATOM 8415 H2 H2O C2805 32.246 50.321 -0.048 0.00 0.00 -ATOM 8416 O1 H2O C2806 2.870 8.439 47.194 0.00 0.00 -ATOM 8417 H1 H2O C2806 2.835 9.211 46.559 0.00 0.00 -ATOM 8418 H2 H2O C2806 3.004 7.591 46.681 0.00 0.00 -ATOM 8419 O1 H2O C2807 19.986 7.447 13.077 0.00 0.00 -ATOM 8420 H1 H2O C2807 20.370 6.876 13.803 0.00 0.00 -ATOM 8421 H2 H2O C2807 19.584 8.270 13.478 0.00 0.00 -ATOM 8422 O1 H2O C2808 7.931 36.353 48.881 0.00 0.00 -ATOM 8423 H1 H2O C2808 7.969 37.353 48.850 0.00 0.00 -ATOM 8424 H2 H2O C2808 8.309 35.979 48.034 0.00 0.00 -ATOM 8425 O1 H2O C2809 5.478 48.862 19.305 0.00 0.00 -ATOM 8426 H1 H2O C2809 6.114 49.192 18.607 0.00 0.00 -ATOM 8427 H2 H2O C2809 4.734 48.357 18.866 0.00 0.00 -ATOM 8428 O1 H2O C2810 40.259 36.070 39.438 0.00 0.00 -ATOM 8429 H1 H2O C2810 40.499 36.869 38.886 0.00 0.00 -ATOM 8430 H2 H2O C2810 40.864 35.309 39.205 0.00 0.00 -ATOM 8431 O1 H2O C2811 36.717 51.910 43.368 0.00 0.00 -ATOM 8432 H1 H2O C2811 35.779 51.711 43.653 0.00 0.00 -ATOM 8433 H2 H2O C2811 36.801 51.776 42.381 0.00 0.00 -ATOM 8434 O1 H2O C2812 15.143 55.293 28.668 0.00 0.00 -ATOM 8435 H1 H2O C2812 15.468 55.598 27.772 0.00 0.00 -ATOM 8436 H2 H2O C2812 15.753 55.641 29.379 0.00 0.00 -ATOM 8437 O1 H2O C2813 52.893 57.516 23.729 0.00 0.00 -ATOM 8438 H1 H2O C2813 52.903 58.329 23.146 0.00 0.00 -ATOM 8439 H2 H2O C2813 52.535 56.739 23.211 0.00 0.00 -ATOM 8440 O1 H2O C2814 19.994 52.248 24.487 0.00 0.00 -ATOM 8441 H1 H2O C2814 19.084 51.853 24.612 0.00 0.00 -ATOM 8442 H2 H2O C2814 20.512 52.169 25.339 0.00 0.00 -ATOM 8443 O1 H2O C2815 53.278 3.255 0.994 0.00 0.00 -ATOM 8444 H1 H2O C2815 53.999 3.418 1.667 0.00 0.00 -ATOM 8445 H2 H2O C2815 53.682 2.901 0.151 0.00 0.00 -ATOM 8446 O1 H2O C2816 23.903 5.286 20.718 0.00 0.00 -ATOM 8447 H1 H2O C2816 23.060 5.671 21.095 0.00 0.00 -ATOM 8448 H2 H2O C2816 23.935 5.455 19.733 0.00 0.00 -ATOM 8449 O1 H2O C2817 16.166 56.457 20.383 0.00 0.00 -ATOM 8450 H1 H2O C2817 16.778 57.127 19.964 0.00 0.00 -ATOM 8451 H2 H2O C2817 15.787 56.834 21.228 0.00 0.00 -ATOM 8452 O1 H2O C2818 39.326 47.635 35.928 0.00 0.00 -ATOM 8453 H1 H2O C2818 39.209 47.755 36.913 0.00 0.00 -ATOM 8454 H2 H2O C2818 39.931 46.857 35.757 0.00 0.00 -ATOM 8455 O1 H2O C2819 40.933 37.481 45.662 0.00 0.00 -ATOM 8456 H1 H2O C2819 41.727 37.560 45.058 0.00 0.00 -ATOM 8457 H2 H2O C2819 40.182 37.042 45.167 0.00 0.00 -ATOM 8458 O1 H2O C2820 23.871 52.313 52.443 0.00 0.00 -ATOM 8459 H1 H2O C2820 24.609 52.848 52.855 0.00 0.00 -ATOM 8460 H2 H2O C2820 24.226 51.426 52.148 0.00 0.00 -ATOM 8461 O1 H2O C2821 5.411 54.334 31.518 0.00 0.00 -ATOM 8462 H1 H2O C2821 4.764 55.093 31.593 0.00 0.00 -ATOM 8463 H2 H2O C2821 6.295 54.612 31.894 0.00 0.00 -ATOM 8464 O1 H2O C2822 36.805 2.926 20.329 0.00 0.00 -ATOM 8465 H1 H2O C2822 36.467 3.809 20.005 0.00 0.00 -ATOM 8466 H2 H2O C2822 37.805 2.923 20.307 0.00 0.00 -ATOM 8467 O1 H2O C2823 57.439 5.630 54.897 0.00 0.00 -ATOM 8468 H1 H2O C2823 56.572 5.161 54.727 0.00 0.00 -ATOM 8469 H2 H2O C2823 57.657 5.581 55.873 0.00 0.00 -ATOM 8470 O1 H2O C2824 27.173 43.743 50.232 0.00 0.00 -ATOM 8471 H1 H2O C2824 26.749 44.359 50.896 0.00 0.00 -ATOM 8472 H2 H2O C2824 26.534 43.569 49.483 0.00 0.00 -ATOM 8473 O1 H2O C2825 41.466 14.962 40.026 0.00 0.00 -ATOM 8474 H1 H2O C2825 42.062 15.288 39.293 0.00 0.00 -ATOM 8475 H2 H2O C2825 41.776 15.337 40.900 0.00 0.00 -ATOM 8476 O1 H2O C2826 9.087 16.206 2.910 0.00 0.00 -ATOM 8477 H1 H2O C2826 9.861 15.672 3.250 0.00 0.00 -ATOM 8478 H2 H2O C2826 9.175 17.153 3.218 0.00 0.00 -ATOM 8479 O1 H2O C2827 47.911 41.562 15.355 0.00 0.00 -ATOM 8480 H1 H2O C2827 47.220 42.220 15.056 0.00 0.00 -ATOM 8481 H2 H2O C2827 47.546 41.012 16.106 0.00 0.00 -ATOM 8482 O1 H2O C2828 52.236 14.064 14.538 0.00 0.00 -ATOM 8483 H1 H2O C2828 52.275 13.114 14.227 0.00 0.00 -ATOM 8484 H2 H2O C2828 51.419 14.504 14.165 0.00 0.00 -ATOM 8485 O1 H2O C2829 33.088 23.562 46.477 0.00 0.00 -ATOM 8486 H1 H2O C2829 32.303 24.155 46.662 0.00 0.00 -ATOM 8487 H2 H2O C2829 32.926 22.661 46.882 0.00 0.00 -ATOM 8488 O1 H2O C2830 27.571 25.238 3.252 0.00 0.00 -ATOM 8489 H1 H2O C2830 26.857 25.512 3.896 0.00 0.00 -ATOM 8490 H2 H2O C2830 27.383 25.638 2.356 0.00 0.00 -ATOM 8491 O1 H2O C2831 43.407 19.850 48.591 0.00 0.00 -ATOM 8492 H1 H2O C2831 42.818 19.499 47.862 0.00 0.00 -ATOM 8493 H2 H2O C2831 43.275 20.837 48.680 0.00 0.00 -ATOM 8494 O1 H2O C2832 21.354 57.573 57.421 0.00 0.00 -ATOM 8495 H1 H2O C2832 20.469 57.129 57.282 0.00 0.00 -ATOM 8496 H2 H2O C2832 22.037 56.885 57.665 0.00 0.00 -ATOM 8497 O1 H2O C2833 57.653 15.019 26.067 0.00 0.00 -ATOM 8498 H1 H2O C2833 56.734 14.683 25.860 0.00 0.00 -ATOM 8499 H2 H2O C2833 57.595 15.759 26.738 0.00 0.00 -ATOM 8500 O1 H2O C2834 32.400 14.264 22.951 0.00 0.00 -ATOM 8501 H1 H2O C2834 31.869 14.820 23.590 0.00 0.00 -ATOM 8502 H2 H2O C2834 31.784 13.662 22.442 0.00 0.00 -ATOM 8503 O1 H2O C2835 54.703 7.016 39.659 0.00 0.00 -ATOM 8504 H1 H2O C2835 53.946 7.663 39.570 0.00 0.00 -ATOM 8505 H2 H2O C2835 54.369 6.088 39.496 0.00 0.00 -ATOM 8506 O1 H2O C2836 33.388 31.150 30.150 0.00 0.00 -ATOM 8507 H1 H2O C2836 33.729 30.936 31.066 0.00 0.00 -ATOM 8508 H2 H2O C2836 33.616 32.096 29.922 0.00 0.00 -ATOM 8509 O1 H2O C2837 34.785 48.986 35.321 0.00 0.00 -ATOM 8510 H1 H2O C2837 34.219 49.537 35.934 0.00 0.00 -ATOM 8511 H2 H2O C2837 34.920 48.078 35.718 0.00 0.00 -ATOM 8512 O1 H2O C2838 32.783 3.135 57.342 0.00 0.00 -ATOM 8513 H1 H2O C2838 33.539 2.752 56.812 0.00 0.00 -ATOM 8514 H2 H2O C2838 33.132 3.495 58.208 0.00 0.00 -ATOM 8515 O1 H2O C2839 24.096 -0.024 58.832 0.00 0.00 -ATOM 8516 H1 H2O C2839 23.894 0.800 59.362 0.00 0.00 -ATOM 8517 H2 H2O C2839 24.988 -0.384 59.105 0.00 0.00 -ATOM 8518 O1 H2O C2840 13.570 21.907 50.669 0.00 0.00 -ATOM 8519 H1 H2O C2840 13.660 20.916 50.569 0.00 0.00 -ATOM 8520 H2 H2O C2840 14.442 22.344 50.450 0.00 0.00 -ATOM 8521 O1 H2O C2841 46.095 17.911 46.361 0.00 0.00 -ATOM 8522 H1 H2O C2841 46.355 18.308 47.241 0.00 0.00 -ATOM 8523 H2 H2O C2841 45.370 18.462 45.947 0.00 0.00 -ATOM 8524 O1 H2O C2842 27.823 11.000 43.531 0.00 0.00 -ATOM 8525 H1 H2O C2842 27.856 10.707 42.576 0.00 0.00 -ATOM 8526 H2 H2O C2842 28.604 10.618 44.025 0.00 0.00 -ATOM 8527 O1 H2O C2843 45.166 56.110 18.516 0.00 0.00 -ATOM 8528 H1 H2O C2843 45.100 56.781 17.777 0.00 0.00 -ATOM 8529 H2 H2O C2843 45.337 56.583 19.381 0.00 0.00 -ATOM 8530 O1 H2O C2844 16.291 15.294 18.491 0.00 0.00 -ATOM 8531 H1 H2O C2844 16.312 14.912 19.415 0.00 0.00 -ATOM 8532 H2 H2O C2844 16.203 14.552 17.826 0.00 0.00 -ATOM 8533 O1 H2O C2845 36.435 5.328 25.217 0.00 0.00 -ATOM 8534 H1 H2O C2845 35.495 5.509 24.929 0.00 0.00 -ATOM 8535 H2 H2O C2845 36.893 4.766 24.529 0.00 0.00 -ATOM 8536 O1 H2O C2846 4.374 29.448 46.648 0.00 0.00 -ATOM 8537 H1 H2O C2846 4.718 30.189 47.225 0.00 0.00 -ATOM 8538 H2 H2O C2846 4.981 29.329 45.862 0.00 0.00 -ATOM 8539 O1 H2O C2847 31.655 50.336 33.277 0.00 0.00 -ATOM 8540 H1 H2O C2847 30.876 50.029 33.826 0.00 0.00 -ATOM 8541 H2 H2O C2847 31.367 51.090 32.685 0.00 0.00 -ATOM 8542 O1 H2O C2848 25.854 53.732 15.900 0.00 0.00 -ATOM 8543 H1 H2O C2848 25.842 53.137 16.703 0.00 0.00 -ATOM 8544 H2 H2O C2848 26.489 54.489 16.055 0.00 0.00 -ATOM 8545 O1 H2O C2849 11.417 6.810 48.824 0.00 0.00 -ATOM 8546 H1 H2O C2849 11.194 5.859 49.044 0.00 0.00 -ATOM 8547 H2 H2O C2849 11.356 6.945 47.834 0.00 0.00 -ATOM 8548 O1 H2O C2850 33.126 28.321 38.738 0.00 0.00 -ATOM 8549 H1 H2O C2850 32.549 29.121 38.572 0.00 0.00 -ATOM 8550 H2 H2O C2850 32.550 27.513 38.854 0.00 0.00 -ATOM 8551 O1 H2O C2851 26.586 20.263 13.153 0.00 0.00 -ATOM 8552 H1 H2O C2851 26.976 19.346 13.062 0.00 0.00 -ATOM 8553 H2 H2O C2851 27.198 20.832 13.702 0.00 0.00 -ATOM 8554 O1 H2O C2852 30.911 13.607 10.090 0.00 0.00 -ATOM 8555 H1 H2O C2852 31.219 13.964 10.971 0.00 0.00 -ATOM 8556 H2 H2O C2852 31.605 12.989 9.720 0.00 0.00 -ATOM 8557 O1 H2O C2853 28.610 27.450 38.687 0.00 0.00 -ATOM 8558 H1 H2O C2853 29.093 28.028 38.029 0.00 0.00 -ATOM 8559 H2 H2O C2853 29.275 26.970 39.260 0.00 0.00 -ATOM 8560 O1 H2O C2854 17.743 11.384 50.803 0.00 0.00 -ATOM 8561 H1 H2O C2854 18.050 12.208 50.328 0.00 0.00 -ATOM 8562 H2 H2O C2854 17.382 11.632 51.702 0.00 0.00 -ATOM 8563 O1 H2O C2855 52.185 4.680 40.539 0.00 0.00 -ATOM 8564 H1 H2O C2855 52.115 3.866 41.115 0.00 0.00 -ATOM 8565 H2 H2O C2855 51.492 5.346 40.817 0.00 0.00 -ATOM 8566 O1 H2O C2856 41.236 34.218 46.236 0.00 0.00 -ATOM 8567 H1 H2O C2856 40.549 34.399 45.531 0.00 0.00 -ATOM 8568 H2 H2O C2856 41.356 33.230 46.337 0.00 0.00 -ATOM 8569 O1 H2O C2857 53.989 55.933 14.339 0.00 0.00 -ATOM 8570 H1 H2O C2857 54.543 56.244 15.111 0.00 0.00 -ATOM 8571 H2 H2O C2857 53.264 56.598 14.160 0.00 0.00 -ATOM 8572 O1 H2O C2858 53.710 23.681 3.202 0.00 0.00 -ATOM 8573 H1 H2O C2858 54.178 23.537 4.073 0.00 0.00 -ATOM 8574 H2 H2O C2858 54.273 23.322 2.457 0.00 0.00 -ATOM 8575 O1 H2O C2859 26.244 37.112 41.805 0.00 0.00 -ATOM 8576 H1 H2O C2859 25.895 36.481 42.498 0.00 0.00 -ATOM 8577 H2 H2O C2859 25.849 38.019 41.950 0.00 0.00 -ATOM 8578 O1 H2O C2860 55.813 22.944 17.149 0.00 0.00 -ATOM 8579 H1 H2O C2860 55.130 23.550 16.740 0.00 0.00 -ATOM 8580 H2 H2O C2860 55.520 22.686 18.070 0.00 0.00 -ATOM 8581 O1 H2O C2861 33.255 43.195 56.155 0.00 0.00 -ATOM 8582 H1 H2O C2861 32.317 43.299 55.823 0.00 0.00 -ATOM 8583 H2 H2O C2861 33.838 42.868 55.411 0.00 0.00 -ATOM 8584 O1 H2O C2862 18.865 15.882 10.736 0.00 0.00 -ATOM 8585 H1 H2O C2862 19.216 15.008 11.071 0.00 0.00 -ATOM 8586 H2 H2O C2862 18.945 16.571 11.457 0.00 0.00 -ATOM 8587 O1 H2O C2863 25.929 34.986 27.335 0.00 0.00 -ATOM 8588 H1 H2O C2863 25.691 34.020 27.238 0.00 0.00 -ATOM 8589 H2 H2O C2863 25.200 35.461 27.828 0.00 0.00 -ATOM 8590 O1 H2O C2864 16.682 32.862 24.140 0.00 0.00 -ATOM 8591 H1 H2O C2864 16.514 31.953 24.522 0.00 0.00 -ATOM 8592 H2 H2O C2864 17.008 33.472 24.863 0.00 0.00 -ATOM 8593 O1 H2O C2865 19.133 2.819 1.346 0.00 0.00 -ATOM 8594 H1 H2O C2865 18.172 2.572 1.472 0.00 0.00 -ATOM 8595 H2 H2O C2865 19.424 2.563 0.424 0.00 0.00 -ATOM 8596 O1 H2O C2866 33.825 31.134 48.957 0.00 0.00 -ATOM 8597 H1 H2O C2866 33.071 31.168 48.301 0.00 0.00 -ATOM 8598 H2 H2O C2866 34.692 31.053 48.464 0.00 0.00 -ATOM 8599 O1 H2O C2867 30.050 53.010 41.529 0.00 0.00 -ATOM 8600 H1 H2O C2867 30.152 53.740 40.853 0.00 0.00 -ATOM 8601 H2 H2O C2867 30.616 52.229 41.264 0.00 0.00 -ATOM 8602 O1 H2O C2868 31.112 57.971 27.163 0.00 0.00 -ATOM 8603 H1 H2O C2868 31.892 58.565 27.357 0.00 0.00 -ATOM 8604 H2 H2O C2868 30.407 58.109 27.860 0.00 0.00 -ATOM 8605 O1 H2O C2869 28.852 19.465 16.102 0.00 0.00 -ATOM 8606 H1 H2O C2869 28.893 18.465 16.102 0.00 0.00 -ATOM 8607 H2 H2O C2869 28.947 19.802 17.039 0.00 0.00 -ATOM 8608 O1 H2O C2870 11.245 40.818 5.291 0.00 0.00 -ATOM 8609 H1 H2O C2870 10.412 40.346 5.001 0.00 0.00 -ATOM 8610 H2 H2O C2870 11.837 40.967 4.499 0.00 0.00 -ATOM 8611 O1 H2O C2871 10.553 30.600 4.791 0.00 0.00 -ATOM 8612 H1 H2O C2871 10.759 29.903 4.105 0.00 0.00 -ATOM 8613 H2 H2O C2871 9.794 31.167 4.472 0.00 0.00 -ATOM 8614 O1 H2O C2872 42.116 28.609 43.197 0.00 0.00 -ATOM 8615 H1 H2O C2872 41.955 29.188 43.995 0.00 0.00 -ATOM 8616 H2 H2O C2872 41.296 28.593 42.625 0.00 0.00 -ATOM 8617 O1 H2O C2873 31.304 21.651 58.989 0.00 0.00 -ATOM 8618 H1 H2O C2873 32.041 21.396 58.363 0.00 0.00 -ATOM 8619 H2 H2O C2873 31.640 21.617 59.931 0.00 0.00 -ATOM 8620 O1 H2O C2874 7.638 37.918 2.434 0.00 0.00 -ATOM 8621 H1 H2O C2874 8.441 38.479 2.236 0.00 0.00 -ATOM 8622 H2 H2O C2874 7.173 38.274 3.244 0.00 0.00 -ATOM 8623 O1 H2O C2875 40.095 9.234 2.183 0.00 0.00 -ATOM 8624 H1 H2O C2875 40.138 8.260 2.403 0.00 0.00 -ATOM 8625 H2 H2O C2875 41.018 9.580 2.017 0.00 0.00 -ATOM 8626 O1 H2O C2876 28.126 29.689 43.106 0.00 0.00 -ATOM 8627 H1 H2O C2876 27.319 30.281 43.108 0.00 0.00 -ATOM 8628 H2 H2O C2876 28.507 29.650 42.182 0.00 0.00 -ATOM 8629 O1 H2O C2877 52.838 25.568 25.294 0.00 0.00 -ATOM 8630 H1 H2O C2877 53.353 25.003 25.939 0.00 0.00 -ATOM 8631 H2 H2O C2877 51.972 25.845 25.710 0.00 0.00 -ATOM 8632 O1 H2O C2878 45.494 47.127 49.505 0.00 0.00 -ATOM 8633 H1 H2O C2878 46.236 47.024 48.843 0.00 0.00 -ATOM 8634 H2 H2O C2878 45.054 46.241 49.653 0.00 0.00 -ATOM 8635 O1 H2O C2879 54.061 49.477 39.577 0.00 0.00 -ATOM 8636 H1 H2O C2879 54.982 49.526 39.191 0.00 0.00 -ATOM 8637 H2 H2O C2879 53.995 50.094 40.361 0.00 0.00 -ATOM 8638 O1 H2O C2880 27.268 3.822 53.291 0.00 0.00 -ATOM 8639 H1 H2O C2880 26.658 3.194 53.774 0.00 0.00 -ATOM 8640 H2 H2O C2880 26.724 4.508 52.806 0.00 0.00 -ATOM 8641 O1 H2O C2881 50.734 33.499 11.288 0.00 0.00 -ATOM 8642 H1 H2O C2881 51.123 32.614 11.030 0.00 0.00 -ATOM 8643 H2 H2O C2881 49.960 33.709 10.689 0.00 0.00 -ATOM 8644 O1 H2O C2882 12.745 36.094 5.195 0.00 0.00 -ATOM 8645 H1 H2O C2882 11.817 36.215 4.841 0.00 0.00 -ATOM 8646 H2 H2O C2882 12.782 35.270 5.759 0.00 0.00 -ATOM 8647 O1 H2O C2883 7.825 30.327 32.676 0.00 0.00 -ATOM 8648 H1 H2O C2883 7.478 29.390 32.723 0.00 0.00 -ATOM 8649 H2 H2O C2883 7.379 30.883 33.377 0.00 0.00 -ATOM 8650 O1 H2O C2884 34.149 30.543 1.844 0.00 0.00 -ATOM 8651 H1 H2O C2884 35.042 30.290 2.216 0.00 0.00 -ATOM 8652 H2 H2O C2884 33.915 29.928 1.091 0.00 0.00 -ATOM 8653 O1 H2O C2885 52.664 53.804 56.314 0.00 0.00 -ATOM 8654 H1 H2O C2885 51.885 54.047 55.737 0.00 0.00 -ATOM 8655 H2 H2O C2885 53.471 53.659 55.741 0.00 0.00 -ATOM 8656 O1 H2O C2886 49.541 35.670 48.979 0.00 0.00 -ATOM 8657 H1 H2O C2886 49.704 35.184 49.838 0.00 0.00 -ATOM 8658 H2 H2O C2886 49.225 36.598 49.176 0.00 0.00 -ATOM 8659 O1 H2O C2887 45.775 1.737 26.474 0.00 0.00 -ATOM 8660 H1 H2O C2887 44.808 1.992 26.503 0.00 0.00 -ATOM 8661 H2 H2O C2887 46.103 1.566 27.403 0.00 0.00 -ATOM 8662 O1 H2O C2888 21.526 16.975 29.654 0.00 0.00 -ATOM 8663 H1 H2O C2888 22.389 17.396 29.936 0.00 0.00 -ATOM 8664 H2 H2O C2888 20.888 16.977 30.425 0.00 0.00 -ATOM 8665 O1 H2O C2889 28.946 10.627 16.801 0.00 0.00 -ATOM 8666 H1 H2O C2889 28.005 10.897 16.597 0.00 0.00 -ATOM 8667 H2 H2O C2889 29.576 11.158 16.233 0.00 0.00 -ATOM 8668 O1 H2O C2890 57.012 44.412 40.501 0.00 0.00 -ATOM 8669 H1 H2O C2890 56.070 44.303 40.819 0.00 0.00 -ATOM 8670 H2 H2O C2890 57.579 43.683 40.884 0.00 0.00 -ATOM 8671 O1 H2O C2891 35.014 5.369 19.629 0.00 0.00 -ATOM 8672 H1 H2O C2891 34.462 6.164 19.882 0.00 0.00 -ATOM 8673 H2 H2O C2891 35.965 5.525 19.894 0.00 0.00 -ATOM 8674 O1 H2O C2892 17.512 32.833 37.201 0.00 0.00 -ATOM 8675 H1 H2O C2892 17.389 31.904 37.549 0.00 0.00 -ATOM 8676 H2 H2O C2892 18.458 32.954 36.899 0.00 0.00 -ATOM 8677 O1 H2O C2893 6.710 41.483 42.084 0.00 0.00 -ATOM 8678 H1 H2O C2893 7.147 41.382 42.978 0.00 0.00 -ATOM 8679 H2 H2O C2893 5.996 42.181 42.139 0.00 0.00 -ATOM 8680 O1 H2O C2894 33.997 17.085 42.220 0.00 0.00 -ATOM 8681 H1 H2O C2894 34.782 17.494 42.686 0.00 0.00 -ATOM 8682 H2 H2O C2894 33.989 17.378 41.263 0.00 0.00 -ATOM 8683 O1 H2O C2895 43.717 43.926 53.468 0.00 0.00 -ATOM 8684 H1 H2O C2895 44.541 43.958 54.033 0.00 0.00 -ATOM 8685 H2 H2O C2895 43.323 44.843 53.400 0.00 0.00 -ATOM 8686 O1 H2O C2896 6.807 37.114 2.439 0.00 0.00 -ATOM 8687 H1 H2O C2896 6.074 37.321 1.791 0.00 0.00 -ATOM 8688 H2 H2O C2896 6.415 36.720 3.271 0.00 0.00 -ATOM 8689 O1 H2O C2897 58.494 16.900 21.216 0.00 0.00 -ATOM 8690 H1 H2O C2897 59.242 16.641 21.828 0.00 0.00 -ATOM 8691 H2 H2O C2897 58.326 16.160 20.564 0.00 0.00 -ATOM 8692 O1 H2O C2898 45.804 49.978 42.480 0.00 0.00 -ATOM 8693 H1 H2O C2898 45.697 49.154 43.037 0.00 0.00 -ATOM 8694 H2 H2O C2898 46.503 49.820 41.782 0.00 0.00 -ATOM 8695 O1 H2O C2899 3.108 35.002 46.181 0.00 0.00 -ATOM 8696 H1 H2O C2899 3.845 34.438 46.553 0.00 0.00 -ATOM 8697 H2 H2O C2899 2.250 34.490 46.208 0.00 0.00 -ATOM 8698 O1 H2O C2900 12.679 10.882 52.867 0.00 0.00 -ATOM 8699 H1 H2O C2900 13.449 11.403 53.235 0.00 0.00 -ATOM 8700 H2 H2O C2900 12.519 11.149 51.917 0.00 0.00 -ATOM 8701 O1 H2O C2901 35.227 21.423 50.547 0.00 0.00 -ATOM 8702 H1 H2O C2901 36.172 21.730 50.431 0.00 0.00 -ATOM 8703 H2 H2O C2901 34.836 21.206 49.652 0.00 0.00 -ATOM 8704 O1 H2O C2902 15.588 22.749 20.305 0.00 0.00 -ATOM 8705 H1 H2O C2902 15.148 23.605 20.576 0.00 0.00 -ATOM 8706 H2 H2O C2902 15.251 22.471 19.406 0.00 0.00 -ATOM 8707 O1 H2O C2903 22.499 41.702 8.295 0.00 0.00 -ATOM 8708 H1 H2O C2903 21.614 41.889 7.869 0.00 0.00 -ATOM 8709 H2 H2O C2903 22.525 42.117 9.205 0.00 0.00 -ATOM 8710 O1 H2O C2904 38.195 46.592 6.402 0.00 0.00 -ATOM 8711 H1 H2O C2904 38.849 46.668 7.155 0.00 0.00 -ATOM 8712 H2 H2O C2904 38.641 46.165 5.616 0.00 0.00 -ATOM 8713 O1 H2O C2905 49.293 23.451 59.356 0.00 0.00 -ATOM 8714 H1 H2O C2905 49.535 22.496 59.181 0.00 0.00 -ATOM 8715 H2 H2O C2905 50.128 23.995 59.444 0.00 0.00 -ATOM 8716 O1 H2O C2906 0.820 32.143 49.861 0.00 0.00 -ATOM 8717 H1 H2O C2906 1.143 33.089 49.822 0.00 0.00 -ATOM 8718 H2 H2O C2906 1.399 31.569 49.282 0.00 0.00 -ATOM 8719 O1 H2O C2907 42.738 29.279 44.463 0.00 0.00 -ATOM 8720 H1 H2O C2907 43.583 29.125 44.976 0.00 0.00 -ATOM 8721 H2 H2O C2907 42.455 30.232 44.566 0.00 0.00 -ATOM 8722 O1 H2O C2908 11.514 13.803 25.369 0.00 0.00 -ATOM 8723 H1 H2O C2908 11.037 13.377 26.138 0.00 0.00 -ATOM 8724 H2 H2O C2908 11.002 14.606 25.062 0.00 0.00 -ATOM 8725 O1 H2O C2909 52.285 13.313 49.342 0.00 0.00 -ATOM 8726 H1 H2O C2909 51.926 13.132 48.427 0.00 0.00 -ATOM 8727 H2 H2O C2909 52.313 14.300 49.500 0.00 0.00 -ATOM 8728 O1 H2O C2910 50.443 24.057 58.680 0.00 0.00 -ATOM 8729 H1 H2O C2910 50.899 24.931 58.512 0.00 0.00 -ATOM 8730 H2 H2O C2910 50.962 23.321 58.247 0.00 0.00 -ATOM 8731 O1 H2O C2911 45.250 50.697 55.797 0.00 0.00 -ATOM 8732 H1 H2O C2911 45.312 51.533 56.342 0.00 0.00 -ATOM 8733 H2 H2O C2911 46.089 50.164 55.906 0.00 0.00 -ATOM 8734 O1 H2O C2912 54.322 2.686 11.407 0.00 0.00 -ATOM 8735 H1 H2O C2912 53.638 1.972 11.257 0.00 0.00 -ATOM 8736 H2 H2O C2912 55.069 2.320 11.962 0.00 0.00 -ATOM 8737 O1 H2O C2913 29.672 4.344 23.922 0.00 0.00 -ATOM 8738 H1 H2O C2913 29.774 4.650 24.868 0.00 0.00 -ATOM 8739 H2 H2O C2913 30.560 4.052 23.568 0.00 0.00 -ATOM 8740 O1 H2O C2914 47.683 53.548 8.935 0.00 0.00 -ATOM 8741 H1 H2O C2914 48.534 53.524 9.459 0.00 0.00 -ATOM 8742 H2 H2O C2914 47.893 53.554 7.958 0.00 0.00 -ATOM 8743 O1 H2O C2915 32.590 58.351 34.271 0.00 0.00 -ATOM 8744 H1 H2O C2915 32.756 58.919 35.077 0.00 0.00 -ATOM 8745 H2 H2O C2915 32.775 58.883 33.445 0.00 0.00 -ATOM 8746 O1 H2O C2916 0.965 51.865 54.099 0.00 0.00 -ATOM 8747 H1 H2O C2916 1.446 52.020 53.236 0.00 0.00 -ATOM 8748 H2 H2O C2916 1.140 52.629 54.720 0.00 0.00 -ATOM 8749 O1 H2O C2917 47.419 6.932 47.523 0.00 0.00 -ATOM 8750 H1 H2O C2917 46.714 6.283 47.810 0.00 0.00 -ATOM 8751 H2 H2O C2917 47.568 6.846 46.537 0.00 0.00 -ATOM 8752 O1 H2O C2918 41.098 53.691 8.208 0.00 0.00 -ATOM 8753 H1 H2O C2918 40.734 54.461 8.732 0.00 0.00 -ATOM 8754 H2 H2O C2918 40.401 52.978 8.136 0.00 0.00 -ATOM 8755 O1 H2O C2919 3.842 52.520 8.439 0.00 0.00 -ATOM 8756 H1 H2O C2919 4.525 53.200 8.175 0.00 0.00 -ATOM 8757 H2 H2O C2919 3.243 52.330 7.660 0.00 0.00 -ATOM 8758 O1 H2O C2920 5.166 5.734 52.538 0.00 0.00 -ATOM 8759 H1 H2O C2920 5.886 5.174 52.130 0.00 0.00 -ATOM 8760 H2 H2O C2920 5.428 6.698 52.493 0.00 0.00 -ATOM 8761 O1 H2O C2921 57.518 46.304 47.555 0.00 0.00 -ATOM 8762 H1 H2O C2921 58.318 46.892 47.681 0.00 0.00 -ATOM 8763 H2 H2O C2921 57.549 45.554 48.215 0.00 0.00 -ATOM 8764 O1 H2O C2922 48.260 32.929 47.366 0.00 0.00 -ATOM 8765 H1 H2O C2922 48.834 32.811 48.176 0.00 0.00 -ATOM 8766 H2 H2O C2922 47.351 32.553 47.545 0.00 0.00 -ATOM 8767 O1 H2O C2923 0.205 6.819 10.741 0.00 0.00 -ATOM 8768 H1 H2O C2923 0.084 7.041 11.708 0.00 0.00 -ATOM 8769 H2 H2O C2923 0.060 7.641 10.189 0.00 0.00 -ATOM 8770 O1 H2O C2924 32.341 12.462 18.785 0.00 0.00 -ATOM 8771 H1 H2O C2924 32.832 12.589 19.646 0.00 0.00 -ATOM 8772 H2 H2O C2924 32.515 13.243 18.184 0.00 0.00 -ATOM 8773 O1 H2O C2925 11.398 20.904 15.065 0.00 0.00 -ATOM 8774 H1 H2O C2925 11.239 21.164 16.017 0.00 0.00 -ATOM 8775 H2 H2O C2925 11.412 21.724 14.493 0.00 0.00 -ATOM 8776 O1 H2O C2926 56.737 5.620 4.527 0.00 0.00 -ATOM 8777 H1 H2O C2926 56.764 5.136 3.652 0.00 0.00 -ATOM 8778 H2 H2O C2926 56.148 6.425 4.444 0.00 0.00 -ATOM 8779 O1 H2O C2927 45.186 40.277 59.176 0.00 0.00 -ATOM 8780 H1 H2O C2927 44.441 39.801 59.644 0.00 0.00 -ATOM 8781 H2 H2O C2927 44.843 40.680 58.328 0.00 0.00 -ATOM 8782 O1 H2O C2928 8.856 8.729 57.360 0.00 0.00 -ATOM 8783 H1 H2O C2928 8.220 9.074 58.049 0.00 0.00 -ATOM 8784 H2 H2O C2928 8.348 8.463 56.541 0.00 0.00 -ATOM 8785 O1 H2O C2929 2.675 8.299 16.542 0.00 0.00 -ATOM 8786 H1 H2O C2929 2.796 9.290 16.605 0.00 0.00 -ATOM 8787 H2 H2O C2929 1.723 8.093 16.317 0.00 0.00 -ATOM 8788 O1 H2O C2930 20.321 19.604 4.738 0.00 0.00 -ATOM 8789 H1 H2O C2930 21.280 19.537 4.461 0.00 0.00 -ATOM 8790 H2 H2O C2930 20.048 20.566 4.762 0.00 0.00 -ATOM 8791 O1 H2O C2931 27.456 23.680 57.704 0.00 0.00 -ATOM 8792 H1 H2O C2931 26.463 23.701 57.585 0.00 0.00 -ATOM 8793 H2 H2O C2931 27.801 22.773 57.457 0.00 0.00 -ATOM 8794 O1 H2O C2932 48.783 48.513 0.408 0.00 0.00 -ATOM 8795 H1 H2O C2932 47.892 48.950 0.281 0.00 0.00 -ATOM 8796 H2 H2O C2932 49.389 48.767 -0.346 0.00 0.00 -ATOM 8797 O1 H2O C2933 45.042 33.131 54.467 0.00 0.00 -ATOM 8798 H1 H2O C2933 45.926 33.171 54.000 0.00 0.00 -ATOM 8799 H2 H2O C2933 44.794 32.175 54.629 0.00 0.00 -ATOM 8800 O1 H2O C2934 37.402 35.390 0.595 0.00 0.00 -ATOM 8801 H1 H2O C2934 38.040 35.710 1.296 0.00 0.00 -ATOM 8802 H2 H2O C2934 36.474 35.677 0.832 0.00 0.00 -ATOM 8803 O1 H2O C2935 26.267 21.150 7.643 0.00 0.00 -ATOM 8804 H1 H2O C2935 26.129 21.461 8.584 0.00 0.00 -ATOM 8805 H2 H2O C2935 26.778 20.290 7.648 0.00 0.00 -ATOM 8806 O1 H2O C2936 50.886 51.533 51.482 0.00 0.00 -ATOM 8807 H1 H2O C2936 51.619 50.987 51.076 0.00 0.00 -ATOM 8808 H2 H2O C2936 51.258 52.084 52.230 0.00 0.00 -ATOM 8809 O1 H2O C2937 44.813 8.725 8.613 0.00 0.00 -ATOM 8810 H1 H2O C2937 44.990 7.796 8.939 0.00 0.00 -ATOM 8811 H2 H2O C2937 43.906 8.765 8.196 0.00 0.00 -ATOM 8812 O1 H2O C2938 41.766 36.643 35.274 0.00 0.00 -ATOM 8813 H1 H2O C2938 40.794 36.788 35.089 0.00 0.00 -ATOM 8814 H2 H2O C2938 42.192 36.200 34.485 0.00 0.00 -ATOM 8815 O1 H2O C2939 34.698 47.435 59.453 0.00 0.00 -ATOM 8816 H1 H2O C2939 33.792 47.772 59.197 0.00 0.00 -ATOM 8817 H2 H2O C2939 34.632 46.912 60.302 0.00 0.00 -ATOM 8818 O1 H2O C2940 50.324 42.092 11.606 0.00 0.00 -ATOM 8819 H1 H2O C2940 51.109 42.268 11.013 0.00 0.00 -ATOM 8820 H2 H2O C2940 50.493 41.269 12.148 0.00 0.00 -ATOM 8821 O1 H2O C2941 10.244 40.338 16.203 0.00 0.00 -ATOM 8822 H1 H2O C2941 10.799 40.051 15.422 0.00 0.00 -ATOM 8823 H2 H2O C2941 10.109 41.328 16.170 0.00 0.00 -ATOM 8824 O1 H2O C2942 30.019 48.438 30.620 0.00 0.00 -ATOM 8825 H1 H2O C2942 29.179 48.864 30.954 0.00 0.00 -ATOM 8826 H2 H2O C2942 30.407 47.858 31.337 0.00 0.00 -ATOM 8827 O1 H2O C2943 26.077 6.445 28.199 0.00 0.00 -ATOM 8828 H1 H2O C2943 25.848 7.339 27.813 0.00 0.00 -ATOM 8829 H2 H2O C2943 25.829 5.728 27.548 0.00 0.00 -ATOM 8830 O1 H2O C2944 32.791 54.316 22.661 0.00 0.00 -ATOM 8831 H1 H2O C2944 31.989 54.028 23.184 0.00 0.00 -ATOM 8832 H2 H2O C2944 32.999 55.272 22.868 0.00 0.00 -ATOM 8833 O1 H2O C2945 39.016 57.212 2.560 0.00 0.00 -ATOM 8834 H1 H2O C2945 38.500 58.031 2.813 0.00 0.00 -ATOM 8835 H2 H2O C2945 38.568 56.404 2.943 0.00 0.00 -ATOM 8836 O1 H2O C2946 39.046 28.185 55.657 0.00 0.00 -ATOM 8837 H1 H2O C2946 38.763 27.918 56.578 0.00 0.00 -ATOM 8838 H2 H2O C2946 39.791 28.850 55.716 0.00 0.00 -ATOM 8839 O1 H2O C2947 42.820 27.977 44.260 0.00 0.00 -ATOM 8840 H1 H2O C2947 42.802 28.911 44.615 0.00 0.00 -ATOM 8841 H2 H2O C2947 42.559 27.339 44.984 0.00 0.00 -ATOM 8842 O1 H2O C2948 28.773 14.545 55.486 0.00 0.00 -ATOM 8843 H1 H2O C2948 28.512 15.458 55.173 0.00 0.00 -ATOM 8844 H2 H2O C2948 29.707 14.346 55.192 0.00 0.00 -ATOM 8845 O1 H2O C2949 15.572 26.040 55.923 0.00 0.00 -ATOM 8846 H1 H2O C2949 14.926 26.390 56.602 0.00 0.00 -ATOM 8847 H2 H2O C2949 16.397 25.715 56.384 0.00 0.00 -ATOM 8848 O1 H2O C2950 40.837 17.170 35.767 0.00 0.00 -ATOM 8849 H1 H2O C2950 40.215 16.539 36.230 0.00 0.00 -ATOM 8850 H2 H2O C2950 41.679 16.689 35.522 0.00 0.00 -ATOM 8851 O1 H2O C2951 10.129 26.440 26.489 0.00 0.00 -ATOM 8852 H1 H2O C2951 10.721 26.618 27.275 0.00 0.00 -ATOM 8853 H2 H2O C2951 9.547 25.650 26.682 0.00 0.00 -ATOM 8854 O1 H2O C2952 27.879 44.951 26.197 0.00 0.00 -ATOM 8855 H1 H2O C2952 28.481 45.604 25.736 0.00 0.00 -ATOM 8856 H2 H2O C2952 27.944 44.062 25.742 0.00 0.00 -ATOM 8857 O1 H2O C2953 58.999 42.884 6.054 0.00 0.00 -ATOM 8858 H1 H2O C2953 59.615 42.096 6.050 0.00 0.00 -ATOM 8859 H2 H2O C2953 58.521 42.928 6.931 0.00 0.00 -ATOM 8860 O1 H2O C2954 40.148 50.405 4.719 0.00 0.00 -ATOM 8861 H1 H2O C2954 39.411 49.789 4.994 0.00 0.00 -ATOM 8862 H2 H2O C2954 40.513 50.870 5.525 0.00 0.00 -ATOM 8863 O1 H2O C2955 34.218 9.879 7.935 0.00 0.00 -ATOM 8864 H1 H2O C2955 34.898 9.412 8.500 0.00 0.00 -ATOM 8865 H2 H2O C2955 34.622 10.705 7.541 0.00 0.00 -ATOM 8866 O1 H2O C2956 21.620 31.140 56.210 0.00 0.00 -ATOM 8867 H1 H2O C2956 21.201 31.717 56.911 0.00 0.00 -ATOM 8868 H2 H2O C2956 21.108 30.285 56.131 0.00 0.00 -ATOM 8869 O1 H2O C2957 14.063 56.164 33.338 0.00 0.00 -ATOM 8870 H1 H2O C2957 13.474 55.683 32.689 0.00 0.00 -ATOM 8871 H2 H2O C2957 14.864 55.601 33.542 0.00 0.00 -ATOM 8872 O1 H2O C2958 27.488 44.081 9.268 0.00 0.00 -ATOM 8873 H1 H2O C2958 27.397 44.344 8.307 0.00 0.00 -ATOM 8874 H2 H2O C2958 26.675 44.375 9.772 0.00 0.00 -ATOM 8875 O1 H2O C2959 35.497 57.204 31.813 0.00 0.00 -ATOM 8876 H1 H2O C2959 34.809 57.926 31.886 0.00 0.00 -ATOM 8877 H2 H2O C2959 35.782 57.111 30.858 0.00 0.00 -ATOM 8878 O1 H2O C2960 41.775 41.608 36.220 0.00 0.00 -ATOM 8879 H1 H2O C2960 42.629 41.096 36.314 0.00 0.00 -ATOM 8880 H2 H2O C2960 41.789 42.396 36.834 0.00 0.00 -ATOM 8881 O1 H2O C2961 44.348 6.087 59.056 0.00 0.00 -ATOM 8882 H1 H2O C2961 43.358 6.205 59.125 0.00 0.00 -ATOM 8883 H2 H2O C2961 44.651 5.414 59.731 0.00 0.00 -ATOM 8884 O1 H2O C2962 44.567 59.588 39.259 0.00 0.00 -ATOM 8885 H1 H2O C2962 44.748 59.956 40.171 0.00 0.00 -ATOM 8886 H2 H2O C2962 44.742 60.294 38.574 0.00 0.00 -ATOM 8887 O1 H2O C2963 33.522 46.929 16.353 0.00 0.00 -ATOM 8888 H1 H2O C2963 32.709 47.512 16.382 0.00 0.00 -ATOM 8889 H2 H2O C2963 33.490 46.276 17.111 0.00 0.00 -ATOM 8890 O1 H2O C2964 15.176 51.464 33.914 0.00 0.00 -ATOM 8891 H1 H2O C2964 14.545 50.820 33.479 0.00 0.00 -ATOM 8892 H2 H2O C2964 14.821 52.395 33.814 0.00 0.00 -ATOM 8893 O1 H2O C2965 8.732 29.407 47.914 0.00 0.00 -ATOM 8894 H1 H2O C2965 8.850 28.420 47.810 0.00 0.00 -ATOM 8895 H2 H2O C2965 8.722 29.641 48.886 0.00 0.00 -ATOM 8896 O1 H2O C2966 50.318 48.591 56.872 0.00 0.00 -ATOM 8897 H1 H2O C2966 50.135 47.726 57.339 0.00 0.00 -ATOM 8898 H2 H2O C2966 50.523 49.299 57.548 0.00 0.00 -ATOM 8899 O1 H2O C2967 32.237 42.606 27.574 0.00 0.00 -ATOM 8900 H1 H2O C2967 32.773 43.449 27.531 0.00 0.00 -ATOM 8901 H2 H2O C2967 31.444 42.683 26.970 0.00 0.00 -ATOM 8902 O1 H2O C2968 34.725 21.143 14.661 0.00 0.00 -ATOM 8903 H1 H2O C2968 35.690 21.394 14.592 0.00 0.00 -ATOM 8904 H2 H2O C2968 34.202 21.634 13.965 0.00 0.00 -ATOM 8905 O1 H2O C2969 20.383 48.045 31.972 0.00 0.00 -ATOM 8906 H1 H2O C2969 20.617 47.073 31.931 0.00 0.00 -ATOM 8907 H2 H2O C2969 19.484 48.189 31.560 0.00 0.00 -ATOM 8908 O1 H2O C2970 50.676 23.143 47.651 0.00 0.00 -ATOM 8909 H1 H2O C2970 50.843 23.336 48.618 0.00 0.00 -ATOM 8910 H2 H2O C2970 51.365 23.606 47.094 0.00 0.00 -ATOM 8911 O1 H2O C2971 37.995 13.215 21.199 0.00 0.00 -ATOM 8912 H1 H2O C2971 38.081 13.107 22.189 0.00 0.00 -ATOM 8913 H2 H2O C2971 38.663 13.886 20.876 0.00 0.00 -ATOM 8914 O1 H2O C2972 16.019 11.681 57.298 0.00 0.00 -ATOM 8915 H1 H2O C2972 16.653 12.455 57.311 0.00 0.00 -ATOM 8916 H2 H2O C2972 15.319 11.814 58.000 0.00 0.00 -ATOM 8917 O1 H2O C2973 2.195 47.921 32.869 0.00 0.00 -ATOM 8918 H1 H2O C2973 1.899 48.692 33.433 0.00 0.00 -ATOM 8919 H2 H2O C2973 3.193 47.916 32.808 0.00 0.00 -ATOM 8920 O1 H2O C2974 47.154 28.113 25.425 0.00 0.00 -ATOM 8921 H1 H2O C2974 47.470 27.192 25.659 0.00 0.00 -ATOM 8922 H2 H2O C2974 46.958 28.620 26.264 0.00 0.00 -ATOM 8923 O1 H2O C2975 12.381 18.241 15.650 0.00 0.00 -ATOM 8924 H1 H2O C2975 12.520 19.151 15.260 0.00 0.00 -ATOM 8925 H2 H2O C2975 11.411 18.001 15.599 0.00 0.00 -ATOM 8926 O1 H2O C2976 3.590 17.573 53.810 0.00 0.00 -ATOM 8927 H1 H2O C2976 2.618 17.797 53.729 0.00 0.00 -ATOM 8928 H2 H2O C2976 3.699 16.772 54.399 0.00 0.00 -ATOM 8929 O1 H2O C2977 55.913 38.745 16.465 0.00 0.00 -ATOM 8930 H1 H2O C2977 55.770 39.455 17.154 0.00 0.00 -ATOM 8931 H2 H2O C2977 56.534 39.086 15.759 0.00 0.00 -ATOM 8932 O1 H2O C2978 22.657 20.182 25.947 0.00 0.00 -ATOM 8933 H1 H2O C2978 21.774 19.724 26.052 0.00 0.00 -ATOM 8934 H2 H2O C2978 22.514 21.099 25.574 0.00 0.00 -ATOM 8935 O1 H2O C2979 57.534 5.316 3.569 0.00 0.00 -ATOM 8936 H1 H2O C2979 58.277 5.746 3.056 0.00 0.00 -ATOM 8937 H2 H2O C2979 57.487 5.713 4.485 0.00 0.00 -ATOM 8938 O1 H2O C2980 25.693 42.441 16.781 0.00 0.00 -ATOM 8939 H1 H2O C2980 25.565 43.327 16.335 0.00 0.00 -ATOM 8940 H2 H2O C2980 25.415 41.710 16.157 0.00 0.00 -ATOM 8941 O1 H2O C2981 28.294 10.245 34.017 0.00 0.00 -ATOM 8942 H1 H2O C2981 28.624 10.875 34.719 0.00 0.00 -ATOM 8943 H2 H2O C2981 27.775 10.753 33.330 0.00 0.00 -ATOM 8944 O1 H2O C2982 45.437 4.974 59.552 0.00 0.00 -ATOM 8945 H1 H2O C2982 44.927 5.771 59.876 0.00 0.00 -ATOM 8946 H2 H2O C2982 44.797 4.254 59.284 0.00 0.00 -ATOM 8947 O1 H2O C2983 51.699 15.798 4.863 0.00 0.00 -ATOM 8948 H1 H2O C2983 52.482 15.633 5.463 0.00 0.00 -ATOM 8949 H2 H2O C2983 51.020 16.352 5.345 0.00 0.00 -ATOM 8950 O1 H2O C2984 27.853 2.693 34.442 0.00 0.00 -ATOM 8951 H1 H2O C2984 27.188 2.726 33.696 0.00 0.00 -ATOM 8952 H2 H2O C2984 28.343 1.822 34.413 0.00 0.00 -ATOM 8953 O1 H2O C2985 9.039 18.852 47.096 0.00 0.00 -ATOM 8954 H1 H2O C2985 8.700 17.915 47.175 0.00 0.00 -ATOM 8955 H2 H2O C2985 8.415 19.386 46.525 0.00 0.00 -ATOM 8956 O1 H2O C2986 47.120 3.830 2.006 0.00 0.00 -ATOM 8957 H1 H2O C2986 47.644 4.513 1.498 0.00 0.00 -ATOM 8958 H2 H2O C2986 46.425 4.287 2.562 0.00 0.00 -ATOM 8959 O1 H2O C2987 22.448 13.277 56.904 0.00 0.00 -ATOM 8960 H1 H2O C2987 22.248 12.338 57.182 0.00 0.00 -ATOM 8961 H2 H2O C2987 22.494 13.862 57.714 0.00 0.00 -ATOM 8962 O1 H2O C2988 54.026 32.931 14.285 0.00 0.00 -ATOM 8963 H1 H2O C2988 53.947 33.494 15.107 0.00 0.00 -ATOM 8964 H2 H2O C2988 53.612 33.410 13.511 0.00 0.00 -ATOM 8965 O1 H2O C2989 47.900 2.075 42.635 0.00 0.00 -ATOM 8966 H1 H2O C2989 48.662 2.396 42.071 0.00 0.00 -ATOM 8967 H2 H2O C2989 47.086 1.969 42.064 0.00 0.00 -ATOM 8968 O1 H2O C2990 44.587 14.306 27.277 0.00 0.00 -ATOM 8969 H1 H2O C2990 44.325 14.711 26.401 0.00 0.00 -ATOM 8970 H2 H2O C2990 44.912 15.025 27.892 0.00 0.00 -ATOM 8971 O1 H2O C2991 53.875 45.360 45.258 0.00 0.00 -ATOM 8972 H1 H2O C2991 54.395 46.024 45.796 0.00 0.00 -ATOM 8973 H2 H2O C2991 53.232 44.879 45.853 0.00 0.00 -ATOM 8974 O1 H2O C2992 53.025 54.778 7.070 0.00 0.00 -ATOM 8975 H1 H2O C2992 52.066 54.975 7.275 0.00 0.00 -ATOM 8976 H2 H2O C2992 53.324 55.342 6.301 0.00 0.00 -ATOM 8977 O1 H2O C2993 41.276 28.384 1.882 0.00 0.00 -ATOM 8978 H1 H2O C2993 42.128 28.861 1.667 0.00 0.00 -ATOM 8979 H2 H2O C2993 40.619 29.033 2.266 0.00 0.00 -ATOM 8980 O1 H2O C2994 17.829 36.965 13.218 0.00 0.00 -ATOM 8981 H1 H2O C2994 18.058 36.305 13.933 0.00 0.00 -ATOM 8982 H2 H2O C2994 18.092 37.883 13.515 0.00 0.00 -ATOM 8983 O1 H2O C2995 2.828 19.848 44.420 0.00 0.00 -ATOM 8984 H1 H2O C2995 3.164 19.833 43.478 0.00 0.00 -ATOM 8985 H2 H2O C2995 2.730 18.911 44.754 0.00 0.00 -ATOM 8986 O1 H2O C2996 31.703 51.007 21.080 0.00 0.00 -ATOM 8987 H1 H2O C2996 32.654 51.112 21.369 0.00 0.00 -ATOM 8988 H2 H2O C2996 31.209 50.457 21.754 0.00 0.00 -ATOM 8989 O1 H2O C2997 10.666 19.543 35.059 0.00 0.00 -ATOM 8990 H1 H2O C2997 10.033 19.859 35.765 0.00 0.00 -ATOM 8991 H2 H2O C2997 11.420 20.194 34.971 0.00 0.00 -ATOM 8992 O1 H2O C2998 13.486 42.626 37.189 0.00 0.00 -ATOM 8993 H1 H2O C2998 13.894 42.259 36.353 0.00 0.00 -ATOM 8994 H2 H2O C2998 12.490 42.637 37.097 0.00 0.00 -ATOM 8995 O1 H2O C2999 11.470 31.745 22.234 0.00 0.00 -ATOM 8996 H1 H2O C2999 11.715 31.559 21.283 0.00 0.00 -ATOM 8997 H2 H2O C2999 12.302 31.882 22.772 0.00 0.00 -ATOM 8998 O1 H2O C3000 42.167 19.194 1.651 0.00 0.00 -ATOM 8999 H1 H2O C3000 41.402 19.315 2.284 0.00 0.00 -ATOM 9000 H2 H2O C3000 42.392 18.222 1.581 0.00 0.00 -ATOM 9001 O1 H2O C3001 7.609 2.203 57.581 0.00 0.00 -ATOM 9002 H1 H2O C3001 7.056 2.579 56.838 0.00 0.00 -ATOM 9003 H2 H2O C3001 7.869 1.263 57.360 0.00 0.00 -ATOM 9004 O1 H2O C3002 31.691 55.776 59.007 0.00 0.00 -ATOM 9005 H1 H2O C3002 30.870 55.234 58.829 0.00 0.00 -ATOM 9006 H2 H2O C3002 31.435 56.631 59.458 0.00 0.00 -ATOM 9007 O1 H2O C3003 36.449 14.342 38.077 0.00 0.00 -ATOM 9008 H1 H2O C3003 37.378 14.332 38.447 0.00 0.00 -ATOM 9009 H2 H2O C3003 35.917 13.605 38.493 0.00 0.00 -ATOM 9010 O1 H2O C3004 49.056 17.806 52.447 0.00 0.00 -ATOM 9011 H1 H2O C3004 48.569 17.519 53.273 0.00 0.00 -ATOM 9012 H2 H2O C3004 49.934 17.328 52.397 0.00 0.00 -ATOM 9013 O1 H2O C3005 55.829 10.032 18.461 0.00 0.00 -ATOM 9014 H1 H2O C3005 55.187 10.503 19.066 0.00 0.00 -ATOM 9015 H2 H2O C3005 55.554 10.171 17.510 0.00 0.00 -ATOM 9016 O1 H2O C3006 13.518 10.425 29.365 0.00 0.00 -ATOM 9017 H1 H2O C3006 13.495 9.563 28.859 0.00 0.00 -ATOM 9018 H2 H2O C3006 12.583 10.718 29.568 0.00 0.00 -ATOM 9019 O1 H2O C3007 26.419 21.887 36.969 0.00 0.00 -ATOM 9020 H1 H2O C3007 26.533 22.390 37.826 0.00 0.00 -ATOM 9021 H2 H2O C3007 25.482 21.544 36.906 0.00 0.00 -ATOM 9022 O1 H2O C3008 3.108 28.964 18.140 0.00 0.00 -ATOM 9023 H1 H2O C3008 4.003 28.614 18.420 0.00 0.00 -ATOM 9024 H2 H2O C3008 2.464 28.203 18.060 0.00 0.00 -ATOM 9025 O1 H2O C3009 33.865 15.090 50.328 0.00 0.00 -ATOM 9026 H1 H2O C3009 33.709 16.069 50.192 0.00 0.00 -ATOM 9027 H2 H2O C3009 32.993 14.635 50.504 0.00 0.00 -ATOM 9028 O1 H2O C3010 46.746 6.679 42.530 0.00 0.00 -ATOM 9029 H1 H2O C3010 46.077 7.409 42.393 0.00 0.00 -ATOM 9030 H2 H2O C3010 47.036 6.667 43.487 0.00 0.00 -ATOM 9031 O1 H2O C3011 16.378 26.349 38.944 0.00 0.00 -ATOM 9032 H1 H2O C3011 16.460 27.290 39.270 0.00 0.00 -ATOM 9033 H2 H2O C3011 16.415 25.721 39.721 0.00 0.00 -ATOM 9034 O1 H2O C3012 37.536 25.120 33.839 0.00 0.00 -ATOM 9035 H1 H2O C3012 38.056 24.586 33.172 0.00 0.00 -ATOM 9036 H2 H2O C3012 36.980 25.799 33.361 0.00 0.00 -ATOM 9037 O1 H2O C3013 39.428 19.068 52.686 0.00 0.00 -ATOM 9038 H1 H2O C3013 39.208 18.105 52.843 0.00 0.00 -ATOM 9039 H2 H2O C3013 39.859 19.449 53.504 0.00 0.00 -ATOM 9040 O1 H2O C3014 45.679 21.494 25.179 0.00 0.00 -ATOM 9041 H1 H2O C3014 46.544 21.008 25.053 0.00 0.00 -ATOM 9042 H2 H2O C3014 45.832 22.307 25.741 0.00 0.00 -ATOM 9043 O1 H2O C3015 19.695 39.733 15.598 0.00 0.00 -ATOM 9044 H1 H2O C3015 19.316 40.263 16.356 0.00 0.00 -ATOM 9045 H2 H2O C3015 19.153 38.903 15.466 0.00 0.00 -ATOM 9046 O1 H2O C3016 5.289 35.000 35.177 0.00 0.00 -ATOM 9047 H1 H2O C3016 5.981 35.040 35.897 0.00 0.00 -ATOM 9048 H2 H2O C3016 5.727 34.785 34.304 0.00 0.00 -ATOM 9049 O1 H2O C3017 28.004 11.084 34.090 0.00 0.00 -ATOM 9050 H1 H2O C3017 27.847 12.071 34.040 0.00 0.00 -ATOM 9051 H2 H2O C3017 28.291 10.747 33.193 0.00 0.00 -ATOM 9052 O1 H2O C3018 38.958 39.159 26.255 0.00 0.00 -ATOM 9053 H1 H2O C3018 38.852 39.165 25.261 0.00 0.00 -ATOM 9054 H2 H2O C3018 38.342 39.834 26.661 0.00 0.00 -ATOM 9055 O1 H2O C3019 9.225 41.175 31.598 0.00 0.00 -ATOM 9056 H1 H2O C3019 9.303 41.918 30.933 0.00 0.00 -ATOM 9057 H2 H2O C3019 8.370 40.680 31.447 0.00 0.00 -ATOM 9058 O1 H2O C3020 1.570 42.875 21.506 0.00 0.00 -ATOM 9059 H1 H2O C3020 1.863 41.919 21.492 0.00 0.00 -ATOM 9060 H2 H2O C3020 1.067 43.082 20.667 0.00 0.00 -ATOM 9061 O1 H2O C3021 10.701 34.819 43.672 0.00 0.00 -ATOM 9062 H1 H2O C3021 11.442 35.390 43.322 0.00 0.00 -ATOM 9063 H2 H2O C3021 10.221 35.306 44.402 0.00 0.00 -ATOM 9064 O1 H2O C3022 32.929 43.716 49.673 0.00 0.00 -ATOM 9065 H1 H2O C3022 33.497 42.959 49.995 0.00 0.00 -ATOM 9066 H2 H2O C3022 32.303 43.996 50.400 0.00 0.00 -ATOM 9067 O1 H2O C3023 30.736 34.922 44.924 0.00 0.00 -ATOM 9068 H1 H2O C3023 30.208 35.506 45.540 0.00 0.00 -ATOM 9069 H2 H2O C3023 30.116 34.319 44.423 0.00 0.00 -ATOM 9070 O1 H2O C3024 14.631 52.182 41.566 0.00 0.00 -ATOM 9071 H1 H2O C3024 15.457 52.692 41.809 0.00 0.00 -ATOM 9072 H2 H2O C3024 14.336 51.633 42.348 0.00 0.00 -ATOM 9073 O1 H2O C3025 10.398 40.810 44.842 0.00 0.00 -ATOM 9074 H1 H2O C3025 9.759 40.744 45.608 0.00 0.00 -ATOM 9075 H2 H2O C3025 10.403 41.746 44.490 0.00 0.00 -ATOM 9076 O1 H2O C3026 9.459 27.101 37.084 0.00 0.00 -ATOM 9077 H1 H2O C3026 9.260 26.402 37.771 0.00 0.00 -ATOM 9078 H2 H2O C3026 8.655 27.237 36.504 0.00 0.00 -ATOM 9079 O1 H2O C3027 32.564 10.669 49.068 0.00 0.00 -ATOM 9080 H1 H2O C3027 31.992 9.878 49.286 0.00 0.00 -ATOM 9081 H2 H2O C3027 31.984 11.475 48.946 0.00 0.00 -ATOM 9082 O1 H2O C3028 36.980 15.340 35.698 0.00 0.00 -ATOM 9083 H1 H2O C3028 36.071 14.927 35.627 0.00 0.00 -ATOM 9084 H2 H2O C3028 37.661 14.621 35.844 0.00 0.00 -ATOM 9085 O1 H2O C3029 7.109 5.010 28.800 0.00 0.00 -ATOM 9086 H1 H2O C3029 6.574 4.363 28.258 0.00 0.00 -ATOM 9087 H2 H2O C3029 7.465 4.550 29.614 0.00 0.00 -ATOM 9088 O1 H2O C3030 42.321 1.737 37.385 0.00 0.00 -ATOM 9089 H1 H2O C3030 42.610 0.806 37.162 0.00 0.00 -ATOM 9090 H2 H2O C3030 42.186 1.816 38.373 0.00 0.00 -ATOM 9091 O1 H2O C3031 26.657 18.920 25.960 0.00 0.00 -ATOM 9092 H1 H2O C3031 26.173 19.730 26.291 0.00 0.00 -ATOM 9093 H2 H2O C3031 26.189 18.557 25.154 0.00 0.00 -ATOM 9094 O1 H2O C3032 49.850 54.836 18.317 0.00 0.00 -ATOM 9095 H1 H2O C3032 49.364 55.633 18.676 0.00 0.00 -ATOM 9096 H2 H2O C3032 49.930 54.914 17.323 0.00 0.00 -ATOM 9097 O1 H2O C3033 48.500 24.324 25.567 0.00 0.00 -ATOM 9098 H1 H2O C3033 47.850 23.781 25.035 0.00 0.00 -ATOM 9099 H2 H2O C3033 49.036 24.900 24.951 0.00 0.00 -ATOM 9100 O1 H2O C3034 34.140 49.635 59.220 0.00 0.00 -ATOM 9101 H1 H2O C3034 34.405 48.891 58.607 0.00 0.00 -ATOM 9102 H2 H2O C3034 33.409 50.170 58.798 0.00 0.00 -ATOM 9103 O1 H2O C3035 31.466 56.712 38.718 0.00 0.00 -ATOM 9104 H1 H2O C3035 32.023 57.437 38.312 0.00 0.00 -ATOM 9105 H2 H2O C3035 31.327 56.903 39.690 0.00 0.00 -ATOM 9106 O1 H2O C3036 44.230 34.868 1.911 0.00 0.00 -ATOM 9107 H1 H2O C3036 44.619 34.572 2.783 0.00 0.00 -ATOM 9108 H2 H2O C3036 43.975 35.834 1.970 0.00 0.00 -ATOM 9109 O1 H2O C3037 6.752 28.110 8.365 0.00 0.00 -ATOM 9110 H1 H2O C3037 7.221 27.283 8.677 0.00 0.00 -ATOM 9111 H2 H2O C3037 7.331 28.593 7.707 0.00 0.00 -ATOM 9112 O1 H2O C3038 16.668 37.961 29.791 0.00 0.00 -ATOM 9113 H1 H2O C3038 17.417 37.347 29.543 0.00 0.00 -ATOM 9114 H2 H2O C3038 16.456 37.853 30.763 0.00 0.00 -ATOM 9115 O1 H2O C3039 20.586 48.687 50.121 0.00 0.00 -ATOM 9116 H1 H2O C3039 19.800 48.369 50.652 0.00 0.00 -ATOM 9117 H2 H2O C3039 21.381 48.770 50.722 0.00 0.00 -ATOM 9118 O1 H2O C3040 27.209 4.393 42.448 0.00 0.00 -ATOM 9119 H1 H2O C3040 26.964 4.954 43.239 0.00 0.00 -ATOM 9120 H2 H2O C3040 26.424 3.835 42.179 0.00 0.00 -ATOM 9121 O1 H2O C3041 54.496 14.064 47.985 0.00 0.00 -ATOM 9122 H1 H2O C3041 54.348 13.143 48.348 0.00 0.00 -ATOM 9123 H2 H2O C3041 54.291 14.072 47.006 0.00 0.00 -ATOM 9124 O1 H2O C3042 24.960 51.688 12.649 0.00 0.00 -ATOM 9125 H1 H2O C3042 25.365 52.563 12.383 0.00 0.00 -ATOM 9126 H2 H2O C3042 24.014 51.833 12.939 0.00 0.00 -ATOM 9127 O1 H2O C3043 5.098 10.830 45.915 0.00 0.00 -ATOM 9128 H1 H2O C3043 5.067 11.827 45.977 0.00 0.00 -ATOM 9129 H2 H2O C3043 6.044 10.519 46.013 0.00 0.00 -ATOM 9130 O1 H2O C3044 5.682 14.178 57.945 0.00 0.00 -ATOM 9131 H1 H2O C3044 5.753 14.947 58.580 0.00 0.00 -ATOM 9132 H2 H2O C3044 5.984 14.467 57.036 0.00 0.00 -ATOM 9133 O1 H2O C3045 1.054 17.453 6.649 0.00 0.00 -ATOM 9134 H1 H2O C3045 1.296 18.083 5.910 0.00 0.00 -ATOM 9135 H2 H2O C3045 1.814 16.825 6.814 0.00 0.00 -ATOM 9136 O1 H2O C3046 3.737 30.178 31.191 0.00 0.00 -ATOM 9137 H1 H2O C3046 3.104 29.405 31.164 0.00 0.00 -ATOM 9138 H2 H2O C3046 4.611 29.908 30.788 0.00 0.00 -ATOM 9139 O1 H2O C3047 3.469 34.497 24.699 0.00 0.00 -ATOM 9140 H1 H2O C3047 3.300 34.606 25.679 0.00 0.00 -ATOM 9141 H2 H2O C3047 3.533 35.398 24.269 0.00 0.00 -ATOM 9142 O1 H2O C3048 3.211 42.142 26.890 0.00 0.00 -ATOM 9143 H1 H2O C3048 3.878 42.878 27.009 0.00 0.00 -ATOM 9144 H2 H2O C3048 2.382 42.358 27.405 0.00 0.00 -ATOM 9145 O1 H2O C3049 38.209 29.873 6.638 0.00 0.00 -ATOM 9146 H1 H2O C3049 39.102 30.251 6.395 0.00 0.00 -ATOM 9147 H2 H2O C3049 37.727 30.514 7.235 0.00 0.00 -ATOM 9148 O1 H2O C3050 47.644 40.582 44.588 0.00 0.00 -ATOM 9149 H1 H2O C3050 47.578 41.567 44.432 0.00 0.00 -ATOM 9150 H2 H2O C3050 47.575 40.395 45.568 0.00 0.00 -ATOM 9151 O1 H2O C3051 6.136 9.341 18.413 0.00 0.00 -ATOM 9152 H1 H2O C3051 6.743 9.794 19.066 0.00 0.00 -ATOM 9153 H2 H2O C3051 6.462 9.510 17.482 0.00 0.00 -ATOM 9154 O1 H2O C3052 1.396 26.870 10.118 0.00 0.00 -ATOM 9155 H1 H2O C3052 1.887 26.247 9.508 0.00 0.00 -ATOM 9156 H2 H2O C3052 1.484 26.550 11.062 0.00 0.00 -ATOM 9157 O1 H2O C3053 17.070 32.868 7.940 0.00 0.00 -ATOM 9158 H1 H2O C3053 17.575 33.139 7.121 0.00 0.00 -ATOM 9159 H2 H2O C3053 16.672 33.679 8.370 0.00 0.00 -ATOM 9160 O1 H2O C3054 54.451 6.637 38.436 0.00 0.00 -ATOM 9161 H1 H2O C3054 54.728 7.170 37.637 0.00 0.00 -ATOM 9162 H2 H2O C3054 54.593 5.664 38.253 0.00 0.00 -ATOM 9163 O1 H2O C3055 30.941 43.335 41.565 0.00 0.00 -ATOM 9164 H1 H2O C3055 30.914 43.362 40.566 0.00 0.00 -ATOM 9165 H2 H2O C3055 30.167 42.800 41.905 0.00 0.00 -ATOM 9166 O1 H2O C3056 56.888 9.438 17.477 0.00 0.00 -ATOM 9167 H1 H2O C3056 57.820 9.137 17.272 0.00 0.00 -ATOM 9168 H2 H2O C3056 56.902 10.398 17.757 0.00 0.00 -ATOM 9169 O1 H2O C3057 18.729 3.360 1.280 0.00 0.00 -ATOM 9170 H1 H2O C3057 18.952 2.635 1.932 0.00 0.00 -ATOM 9171 H2 H2O C3057 19.161 4.214 1.572 0.00 0.00 -ATOM 9172 O1 H2O C3058 43.473 37.498 14.870 0.00 0.00 -ATOM 9173 H1 H2O C3058 42.977 37.759 15.698 0.00 0.00 -ATOM 9174 H2 H2O C3058 44.128 36.775 15.088 0.00 0.00 -ATOM 9175 O1 H2O C3059 20.023 22.476 56.302 0.00 0.00 -ATOM 9176 H1 H2O C3059 20.217 23.315 55.794 0.00 0.00 -ATOM 9177 H2 H2O C3059 20.870 21.962 56.435 0.00 0.00 -ATOM 9178 O1 H2O C3060 35.102 19.801 52.869 0.00 0.00 -ATOM 9179 H1 H2O C3060 35.353 20.350 53.667 0.00 0.00 -ATOM 9180 H2 H2O C3060 35.917 19.626 52.316 0.00 0.00 -ATOM 9181 O1 H2O C3061 18.443 24.127 24.093 0.00 0.00 -ATOM 9182 H1 H2O C3061 18.583 23.687 24.980 0.00 0.00 -ATOM 9183 H2 H2O C3061 19.019 23.684 23.407 0.00 0.00 -ATOM 9184 O1 H2O C3062 44.438 19.518 7.892 0.00 0.00 -ATOM 9185 H1 H2O C3062 44.241 18.908 7.124 0.00 0.00 -ATOM 9186 H2 H2O C3062 44.614 18.976 8.713 0.00 0.00 -ATOM 9187 O1 H2O C3063 15.343 15.194 5.240 0.00 0.00 -ATOM 9188 H1 H2O C3063 15.966 15.904 4.911 0.00 0.00 -ATOM 9189 H2 H2O C3063 14.447 15.310 4.811 0.00 0.00 -ATOM 9190 O1 H2O C3064 53.614 53.752 12.672 0.00 0.00 -ATOM 9191 H1 H2O C3064 53.656 54.341 11.865 0.00 0.00 -ATOM 9192 H2 H2O C3064 52.762 53.925 13.166 0.00 0.00 -ATOM 9193 O1 H2O C3065 42.266 18.272 31.201 0.00 0.00 -ATOM 9194 H1 H2O C3065 41.891 17.658 30.506 0.00 0.00 -ATOM 9195 H2 H2O C3065 42.237 17.821 32.093 0.00 0.00 -ATOM 9196 O1 H2O C3066 10.734 53.075 36.040 0.00 0.00 -ATOM 9197 H1 H2O C3066 11.049 52.642 35.195 0.00 0.00 -ATOM 9198 H2 H2O C3066 11.310 53.868 36.243 0.00 0.00 -ATOM 9199 O1 H2O C3067 55.144 24.038 4.609 0.00 0.00 -ATOM 9200 H1 H2O C3067 55.680 23.259 4.935 0.00 0.00 -ATOM 9201 H2 H2O C3067 54.386 24.207 5.238 0.00 0.00 -ATOM 9202 O1 H2O C3068 49.257 24.883 49.185 0.00 0.00 -ATOM 9203 H1 H2O C3068 48.874 24.546 48.325 0.00 0.00 -ATOM 9204 H2 H2O C3068 50.253 24.928 49.112 0.00 0.00 -ATOM 9205 O1 H2O C3069 38.380 7.758 56.731 0.00 0.00 -ATOM 9206 H1 H2O C3069 38.945 7.732 57.556 0.00 0.00 -ATOM 9207 H2 H2O C3069 37.416 7.827 56.989 0.00 0.00 -ATOM 9208 O1 H2O C3070 47.117 24.376 15.333 0.00 0.00 -ATOM 9209 H1 H2O C3070 46.216 24.572 15.720 0.00 0.00 -ATOM 9210 H2 H2O C3070 47.713 24.007 16.046 0.00 0.00 -ATOM 9211 O1 H2O C3071 54.803 41.920 32.809 0.00 0.00 -ATOM 9212 H1 H2O C3071 54.640 40.944 32.664 0.00 0.00 -ATOM 9213 H2 H2O C3071 53.928 42.388 32.932 0.00 0.00 -ATOM 9214 O1 H2O C3072 55.105 33.284 54.402 0.00 0.00 -ATOM 9215 H1 H2O C3072 54.667 34.180 54.324 0.00 0.00 -ATOM 9216 H2 H2O C3072 54.522 32.590 53.980 0.00 0.00 -ATOM 9217 O1 H2O C3073 24.576 54.887 24.307 0.00 0.00 -ATOM 9218 H1 H2O C3073 24.522 54.402 23.434 0.00 0.00 -ATOM 9219 H2 H2O C3073 23.661 54.964 24.702 0.00 0.00 -ATOM 9220 O1 H2O C3074 54.250 13.481 3.210 0.00 0.00 -ATOM 9221 H1 H2O C3074 54.454 12.816 2.491 0.00 0.00 -ATOM 9222 H2 H2O C3074 53.563 13.100 3.830 0.00 0.00 -ATOM 9223 O1 H2O C3075 7.815 25.771 50.778 0.00 0.00 -ATOM 9224 H1 H2O C3075 7.380 26.650 50.582 0.00 0.00 -ATOM 9225 H2 H2O C3075 8.767 25.922 51.045 0.00 0.00 -ATOM 9226 O1 H2O C3076 22.704 35.028 0.954 0.00 0.00 -ATOM 9227 H1 H2O C3076 23.364 35.718 0.658 0.00 0.00 -ATOM 9228 H2 H2O C3076 22.867 34.176 0.457 0.00 0.00 -ATOM 9229 O1 H2O C3077 5.362 36.770 4.322 0.00 0.00 -ATOM 9230 H1 H2O C3077 6.050 36.635 3.609 0.00 0.00 -ATOM 9231 H2 H2O C3077 5.080 35.883 4.686 0.00 0.00 -ATOM 9232 O1 H2O C3078 59.272 47.051 58.533 0.00 0.00 -ATOM 9233 H1 H2O C3078 60.140 47.016 59.028 0.00 0.00 -ATOM 9234 H2 H2O C3078 59.365 46.571 57.661 0.00 0.00 -ATOM 9235 O1 H2O C3079 41.806 44.789 42.283 0.00 0.00 -ATOM 9236 H1 H2O C3079 42.213 45.508 41.720 0.00 0.00 -ATOM 9237 H2 H2O C3079 40.824 44.737 42.098 0.00 0.00 -ATOM 9238 O1 H2O C3080 45.195 43.176 47.732 0.00 0.00 -ATOM 9239 H1 H2O C3080 44.535 42.638 48.257 0.00 0.00 -ATOM 9240 H2 H2O C3080 45.541 43.924 48.299 0.00 0.00 -ATOM 9241 O1 H2O C3081 22.605 28.492 31.489 0.00 0.00 -ATOM 9242 H1 H2O C3081 22.808 29.161 30.774 0.00 0.00 -ATOM 9243 H2 H2O C3081 21.680 28.134 31.358 0.00 0.00 -ATOM 9244 O1 H2O C3082 49.376 49.575 11.234 0.00 0.00 -ATOM 9245 H1 H2O C3082 50.332 49.626 10.942 0.00 0.00 -ATOM 9246 H2 H2O C3082 49.335 49.539 12.233 0.00 0.00 -ATOM 9247 O1 H2O C3083 46.064 49.037 16.916 0.00 0.00 -ATOM 9248 H1 H2O C3083 46.293 49.906 16.479 0.00 0.00 -ATOM 9249 H2 H2O C3083 45.074 48.980 17.046 0.00 0.00 -ATOM 9250 O1 H2O C3084 29.464 20.873 43.425 0.00 0.00 -ATOM 9251 H1 H2O C3084 28.654 20.688 43.981 0.00 0.00 -ATOM 9252 H2 H2O C3084 29.324 21.716 42.904 0.00 0.00 -ATOM 9253 O1 H2O C3085 4.713 12.606 20.655 0.00 0.00 -ATOM 9254 H1 H2O C3085 5.593 13.032 20.867 0.00 0.00 -ATOM 9255 H2 H2O C3085 4.255 12.347 21.506 0.00 0.00 -ATOM 9256 O1 H2O C3086 30.697 19.306 10.240 0.00 0.00 -ATOM 9257 H1 H2O C3086 31.599 19.480 10.635 0.00 0.00 -ATOM 9258 H2 H2O C3086 30.606 19.809 9.381 0.00 0.00 -ATOM 9259 O1 H2O C3087 18.777 38.936 14.361 0.00 0.00 -ATOM 9260 H1 H2O C3087 18.044 38.417 14.800 0.00 0.00 -ATOM 9261 H2 H2O C3087 18.544 39.095 13.401 0.00 0.00 -ATOM 9262 O1 H2O C3088 50.952 56.954 2.555 0.00 0.00 -ATOM 9263 H1 H2O C3088 50.587 57.400 3.372 0.00 0.00 -ATOM 9264 H2 H2O C3088 51.951 57.012 2.562 0.00 0.00 -ATOM 9265 O1 H2O C3089 1.533 49.354 46.151 0.00 0.00 -ATOM 9266 H1 H2O C3089 2.167 49.778 45.505 0.00 0.00 -ATOM 9267 H2 H2O C3089 1.154 48.520 45.749 0.00 0.00 -ATOM 9268 O1 H2O C3090 54.931 33.471 38.882 0.00 0.00 -ATOM 9269 H1 H2O C3090 54.218 33.992 38.412 0.00 0.00 -ATOM 9270 H2 H2O C3090 54.526 32.965 39.644 0.00 0.00 -ATOM 9271 O1 H2O C3091 31.075 48.513 3.009 0.00 0.00 -ATOM 9272 H1 H2O C3091 31.578 47.776 2.557 0.00 0.00 -ATOM 9273 H2 H2O C3091 31.621 49.351 2.988 0.00 0.00 -ATOM 9274 O1 H2O C3092 48.179 48.666 48.140 0.00 0.00 -ATOM 9275 H1 H2O C3092 48.857 49.314 48.487 0.00 0.00 -ATOM 9276 H2 H2O C3092 47.268 49.073 48.198 0.00 0.00 -ATOM 9277 O1 H2O C3093 12.618 6.596 5.475 0.00 0.00 -ATOM 9278 H1 H2O C3093 13.145 7.104 6.156 0.00 0.00 -ATOM 9279 H2 H2O C3093 12.422 5.678 5.822 0.00 0.00 -ATOM 9280 O1 H2O C3094 0.666 22.466 44.374 0.00 0.00 -ATOM 9281 H1 H2O C3094 1.445 22.292 43.771 0.00 0.00 -ATOM 9282 H2 H2O C3094 0.706 23.408 44.708 0.00 0.00 -ATOM 9283 O1 H2O C3095 12.043 39.356 39.533 0.00 0.00 -ATOM 9284 H1 H2O C3095 12.006 40.355 39.543 0.00 0.00 -ATOM 9285 H2 H2O C3095 11.915 39.028 38.597 0.00 0.00 -ATOM 9286 O1 H2O C3096 6.459 48.548 39.695 0.00 0.00 -ATOM 9287 H1 H2O C3096 6.518 47.961 38.888 0.00 0.00 -ATOM 9288 H2 H2O C3096 5.499 48.730 39.905 0.00 0.00 -ATOM 9289 O1 H2O C3097 24.673 16.594 35.088 0.00 0.00 -ATOM 9290 H1 H2O C3097 23.693 16.771 35.181 0.00 0.00 -ATOM 9291 H2 H2O C3097 25.029 17.094 34.298 0.00 0.00 -ATOM 9292 O1 H2O C3098 35.660 34.495 33.720 0.00 0.00 -ATOM 9293 H1 H2O C3098 36.356 33.805 33.915 0.00 0.00 -ATOM 9294 H2 H2O C3098 35.889 34.968 32.869 0.00 0.00 -ATOM 9295 O1 H2O C3099 29.701 54.244 49.086 0.00 0.00 -ATOM 9296 H1 H2O C3099 29.181 53.392 49.132 0.00 0.00 -ATOM 9297 H2 H2O C3099 30.616 54.058 48.728 0.00 0.00 -ATOM 9298 O1 H2O C3100 55.974 6.088 34.220 0.00 0.00 -ATOM 9299 H1 H2O C3100 56.894 6.367 33.945 0.00 0.00 -ATOM 9300 H2 H2O C3100 55.472 6.883 34.559 0.00 0.00 -ATOM 9301 O1 H2O C3101 37.604 42.392 56.688 0.00 0.00 -ATOM 9302 H1 H2O C3101 37.370 43.126 57.325 0.00 0.00 -ATOM 9303 H2 H2O C3101 37.236 42.605 55.783 0.00 0.00 -ATOM 9304 O1 H2O C3102 24.541 8.349 47.429 0.00 0.00 -ATOM 9305 H1 H2O C3102 23.639 7.932 47.535 0.00 0.00 -ATOM 9306 H2 H2O C3102 25.221 7.804 47.920 0.00 0.00 -ATOM 9307 O1 H2O C3103 1.296 36.229 39.455 0.00 0.00 -ATOM 9308 H1 H2O C3103 1.206 35.240 39.338 0.00 0.00 -ATOM 9309 H2 H2O C3103 0.740 36.524 40.232 0.00 0.00 -ATOM 9310 O1 H2O C3104 22.399 48.753 26.553 0.00 0.00 -ATOM 9311 H1 H2O C3104 22.193 48.237 25.721 0.00 0.00 -ATOM 9312 H2 H2O C3104 23.336 48.560 26.842 0.00 0.00 -ATOM 9313 O1 H2O C3105 50.560 50.579 58.748 0.00 0.00 -ATOM 9314 H1 H2O C3105 51.329 49.959 58.597 0.00 0.00 -ATOM 9315 H2 H2O C3105 50.353 50.622 59.726 0.00 0.00 -ATOM 9316 O1 H2O C3106 21.469 41.599 16.645 0.00 0.00 -ATOM 9317 H1 H2O C3106 21.770 40.684 16.374 0.00 0.00 -ATOM 9318 H2 H2O C3106 21.961 41.880 17.469 0.00 0.00 -ATOM 9319 O1 H2O C3107 24.404 28.340 43.973 0.00 0.00 -ATOM 9320 H1 H2O C3107 24.676 28.671 43.069 0.00 0.00 -ATOM 9321 H2 H2O C3107 25.183 28.399 44.597 0.00 0.00 -ATOM 9322 O1 H2O C3108 16.629 51.537 38.265 0.00 0.00 -ATOM 9323 H1 H2O C3108 17.095 51.151 37.469 0.00 0.00 -ATOM 9324 H2 H2O C3108 15.970 50.873 38.620 0.00 0.00 -ATOM 9325 O1 H2O C3109 57.270 31.471 57.643 0.00 0.00 -ATOM 9326 H1 H2O C3109 56.339 31.395 57.285 0.00 0.00 -ATOM 9327 H2 H2O C3109 57.748 32.214 57.173 0.00 0.00 -ATOM 9328 O1 H2O C3110 44.975 57.292 29.945 0.00 0.00 -ATOM 9329 H1 H2O C3110 44.753 56.366 30.254 0.00 0.00 -ATOM 9330 H2 H2O C3110 45.260 57.844 30.729 0.00 0.00 -ATOM 9331 O1 H2O C3111 8.125 24.929 42.367 0.00 0.00 -ATOM 9332 H1 H2O C3111 8.496 24.145 41.869 0.00 0.00 -ATOM 9333 H2 H2O C3111 8.055 25.713 41.750 0.00 0.00 -ATOM 9334 O1 H2O C3112 52.429 54.198 28.098 0.00 0.00 -ATOM 9335 H1 H2O C3112 51.916 53.340 28.101 0.00 0.00 -ATOM 9336 H2 H2O C3112 52.763 54.390 29.021 0.00 0.00 -ATOM 9337 O1 H2O C3113 46.533 13.250 24.852 0.00 0.00 -ATOM 9338 H1 H2O C3113 47.472 13.171 24.517 0.00 0.00 -ATOM 9339 H2 H2O C3113 46.085 12.358 24.802 0.00 0.00 -ATOM 9340 O1 H2O C3114 40.004 11.224 12.261 0.00 0.00 -ATOM 9341 H1 H2O C3114 40.269 10.825 11.383 0.00 0.00 -ATOM 9342 H2 H2O C3114 39.595 12.123 12.110 0.00 0.00 -ATOM 9343 O1 H2O C3115 58.088 23.392 29.955 0.00 0.00 -ATOM 9344 H1 H2O C3115 58.824 23.962 30.319 0.00 0.00 -ATOM 9345 H2 H2O C3115 57.324 23.380 30.600 0.00 0.00 -ATOM 9346 O1 H2O C3116 5.671 11.587 49.309 0.00 0.00 -ATOM 9347 H1 H2O C3116 4.937 11.347 49.943 0.00 0.00 -ATOM 9348 H2 H2O C3116 5.583 11.043 48.474 0.00 0.00 -ATOM 9349 O1 H2O C3117 23.238 28.027 9.119 0.00 0.00 -ATOM 9350 H1 H2O C3117 22.265 28.216 8.985 0.00 0.00 -ATOM 9351 H2 H2O C3117 23.452 28.060 10.096 0.00 0.00 -ATOM 9352 O1 H2O C3118 18.384 47.959 38.226 0.00 0.00 -ATOM 9353 H1 H2O C3118 17.443 47.971 38.565 0.00 0.00 -ATOM 9354 H2 H2O C3118 18.709 48.898 38.113 0.00 0.00 -ATOM 9355 O1 H2O C3119 23.824 59.899 38.310 0.00 0.00 -ATOM 9356 H1 H2O C3119 24.667 59.405 38.522 0.00 0.00 -ATOM 9357 H2 H2O C3119 23.500 59.631 37.403 0.00 0.00 -ATOM 9358 O1 H2O C3120 9.368 5.107 22.406 0.00 0.00 -ATOM 9359 H1 H2O C3120 9.666 4.508 21.663 0.00 0.00 -ATOM 9360 H2 H2O C3120 10.000 5.878 22.487 0.00 0.00 -ATOM 9361 O1 H2O C3121 5.310 40.197 49.105 0.00 0.00 -ATOM 9362 H1 H2O C3121 4.438 40.104 49.585 0.00 0.00 -ATOM 9363 H2 H2O C3121 6.038 39.783 49.651 0.00 0.00 -ATOM 9364 O1 H2O C3122 52.648 18.710 33.862 0.00 0.00 -ATOM 9365 H1 H2O C3122 53.214 17.887 33.817 0.00 0.00 -ATOM 9366 H2 H2O C3122 51.770 18.488 34.288 0.00 0.00 -ATOM 9367 O1 H2O C3123 26.900 4.647 36.345 0.00 0.00 -ATOM 9368 H1 H2O C3123 27.831 4.727 35.989 0.00 0.00 -ATOM 9369 H2 H2O C3123 26.925 4.232 37.254 0.00 0.00 -ATOM 9370 O1 H2O C3124 8.278 16.684 26.666 0.00 0.00 -ATOM 9371 H1 H2O C3124 9.037 17.334 26.697 0.00 0.00 -ATOM 9372 H2 H2O C3124 7.414 17.182 26.594 0.00 0.00 -ATOM 9373 O1 H2O C3125 51.038 48.378 36.993 0.00 0.00 -ATOM 9374 H1 H2O C3125 51.698 48.496 36.252 0.00 0.00 -ATOM 9375 H2 H2O C3125 51.438 47.806 37.709 0.00 0.00 -ATOM 9376 O1 H2O C3126 1.404 38.355 32.388 0.00 0.00 -ATOM 9377 H1 H2O C3126 2.017 39.111 32.614 0.00 0.00 -ATOM 9378 H2 H2O C3126 0.461 38.686 32.364 0.00 0.00 -ATOM 9379 O1 H2O C3127 57.620 53.191 40.857 0.00 0.00 -ATOM 9380 H1 H2O C3127 56.703 53.119 40.463 0.00 0.00 -ATOM 9381 H2 H2O C3127 58.080 53.997 40.484 0.00 0.00 -ATOM 9382 O1 H2O C3128 49.380 19.247 34.206 0.00 0.00 -ATOM 9383 H1 H2O C3128 50.374 19.342 34.149 0.00 0.00 -ATOM 9384 H2 H2O C3128 49.147 18.289 34.371 0.00 0.00 -ATOM 9385 O1 H2O C3129 42.842 10.085 45.923 0.00 0.00 -ATOM 9386 H1 H2O C3129 42.494 10.705 46.626 0.00 0.00 -ATOM 9387 H2 H2O C3129 43.524 9.474 46.325 0.00 0.00 -ATOM 9388 O1 H2O C3130 55.734 58.448 42.588 0.00 0.00 -ATOM 9389 H1 H2O C3130 55.066 58.219 43.295 0.00 0.00 -ATOM 9390 H2 H2O C3130 55.298 59.014 41.888 0.00 0.00 -ATOM 9391 O1 H2O C3131 47.026 20.139 50.438 0.00 0.00 -ATOM 9392 H1 H2O C3131 46.299 19.518 50.147 0.00 0.00 -ATOM 9393 H2 H2O C3131 47.861 19.617 50.613 0.00 0.00 -ATOM 9394 O1 H2O C3132 3.446 23.485 26.415 0.00 0.00 -ATOM 9395 H1 H2O C3132 2.859 23.922 27.097 0.00 0.00 -ATOM 9396 H2 H2O C3132 2.879 23.019 25.736 0.00 0.00 -ATOM 9397 O1 H2O C3133 49.798 9.581 20.641 0.00 0.00 -ATOM 9398 H1 H2O C3133 49.472 9.209 21.511 0.00 0.00 -ATOM 9399 H2 H2O C3133 49.483 10.525 20.545 0.00 0.00 -ATOM 9400 O1 H2O C3134 15.183 20.363 9.844 0.00 0.00 -ATOM 9401 H1 H2O C3134 15.738 21.191 9.757 0.00 0.00 -ATOM 9402 H2 H2O C3134 14.671 20.216 8.997 0.00 0.00 -ATOM 9403 O1 H2O C3135 18.892 29.102 9.208 0.00 0.00 -ATOM 9404 H1 H2O C3135 18.755 28.519 8.408 0.00 0.00 -ATOM 9405 H2 H2O C3135 19.720 28.815 9.691 0.00 0.00 -ATOM 9406 O1 H2O C3136 57.724 32.652 30.407 0.00 0.00 -ATOM 9407 H1 H2O C3136 57.978 32.735 31.371 0.00 0.00 -ATOM 9408 H2 H2O C3136 56.988 31.981 30.314 0.00 0.00 -ATOM 9409 O1 H2O C3137 11.497 22.648 43.246 0.00 0.00 -ATOM 9410 H1 H2O C3137 11.691 22.973 42.321 0.00 0.00 -ATOM 9411 H2 H2O C3137 11.789 23.336 43.910 0.00 0.00 -ATOM 9412 O1 H2O C3138 8.669 38.116 20.620 0.00 0.00 -ATOM 9413 H1 H2O C3138 8.507 38.977 21.103 0.00 0.00 -ATOM 9414 H2 H2O C3138 7.809 37.612 20.540 0.00 0.00 -ATOM 9415 O1 H2O C3139 25.667 31.742 57.106 0.00 0.00 -ATOM 9416 H1 H2O C3139 25.158 31.251 57.812 0.00 0.00 -ATOM 9417 H2 H2O C3139 25.277 32.655 56.987 0.00 0.00 -ATOM 9418 O1 H2O C3140 27.850 8.757 24.154 0.00 0.00 -ATOM 9419 H1 H2O C3140 28.785 8.580 24.461 0.00 0.00 -ATOM 9420 H2 H2O C3140 27.753 9.725 23.922 0.00 0.00 -ATOM 9421 O1 H2O C3141 55.670 47.038 57.330 0.00 0.00 -ATOM 9422 H1 H2O C3141 55.356 47.865 56.863 0.00 0.00 -ATOM 9423 H2 H2O C3141 56.466 47.256 57.895 0.00 0.00 -ATOM 9424 O1 H2O C3142 28.630 43.741 2.229 0.00 0.00 -ATOM 9425 H1 H2O C3142 29.135 43.231 2.925 0.00 0.00 -ATOM 9426 H2 H2O C3142 28.320 44.611 2.613 0.00 0.00 -ATOM 9427 O1 H2O C3143 32.403 47.005 10.714 0.00 0.00 -ATOM 9428 H1 H2O C3143 33.213 46.642 10.255 0.00 0.00 -ATOM 9429 H2 H2O C3143 32.174 47.899 10.329 0.00 0.00 -ATOM 9430 O1 H2O C3144 14.874 21.663 53.713 0.00 0.00 -ATOM 9431 H1 H2O C3144 14.105 21.734 54.347 0.00 0.00 -ATOM 9432 H2 H2O C3144 15.578 21.071 54.107 0.00 0.00 -ATOM 9433 O1 H2O C3145 57.900 1.490 4.105 0.00 0.00 -ATOM 9434 H1 H2O C3145 58.265 1.500 5.035 0.00 0.00 -ATOM 9435 H2 H2O C3145 57.431 0.622 3.940 0.00 0.00 -ATOM 9436 O1 H2O C3146 39.383 37.101 1.424 0.00 0.00 -ATOM 9437 H1 H2O C3146 38.706 37.649 1.916 0.00 0.00 -ATOM 9438 H2 H2O C3146 38.996 36.204 1.213 0.00 0.00 -ATOM 9439 O1 H2O C3147 21.616 40.559 37.893 0.00 0.00 -ATOM 9440 H1 H2O C3147 22.006 40.623 36.975 0.00 0.00 -ATOM 9441 H2 H2O C3147 21.676 41.450 38.344 0.00 0.00 -ATOM 9442 O1 H2O C3148 35.960 41.154 16.591 0.00 0.00 -ATOM 9443 H1 H2O C3148 36.935 41.372 16.650 0.00 0.00 -ATOM 9444 H2 H2O C3148 35.713 40.991 15.635 0.00 0.00 -ATOM 9445 O1 H2O C3149 1.712 35.039 56.885 0.00 0.00 -ATOM 9446 H1 H2O C3149 1.617 34.044 56.912 0.00 0.00 -ATOM 9447 H2 H2O C3149 1.231 35.441 57.664 0.00 0.00 -ATOM 9448 O1 H2O C3150 38.545 27.064 29.582 0.00 0.00 -ATOM 9449 H1 H2O C3150 39.272 27.227 28.915 0.00 0.00 -ATOM 9450 H2 H2O C3150 38.081 26.205 29.367 0.00 0.00 -ATOM 9451 O1 H2O C3151 58.872 20.996 51.129 0.00 0.00 -ATOM 9452 H1 H2O C3151 59.650 21.418 50.662 0.00 0.00 -ATOM 9453 H2 H2O C3151 58.891 20.007 50.982 0.00 0.00 -ATOM 9454 O1 H2O C3152 49.517 9.787 40.691 0.00 0.00 -ATOM 9455 H1 H2O C3152 49.124 10.705 40.645 0.00 0.00 -ATOM 9456 H2 H2O C3152 49.887 9.628 41.606 0.00 0.00 -ATOM 9457 O1 H2O C3153 53.682 28.431 5.228 0.00 0.00 -ATOM 9458 H1 H2O C3153 52.865 27.961 4.893 0.00 0.00 -ATOM 9459 H2 H2O C3153 54.487 27.862 5.060 0.00 0.00 -ATOM 9460 O1 H2O C3154 22.820 21.909 14.543 0.00 0.00 -ATOM 9461 H1 H2O C3154 22.126 22.371 15.095 0.00 0.00 -ATOM 9462 H2 H2O C3154 22.374 21.382 13.819 0.00 0.00 -ATOM 9463 O1 H2O C3155 53.144 42.092 23.774 0.00 0.00 -ATOM 9464 H1 H2O C3155 52.270 41.890 24.215 0.00 0.00 -ATOM 9465 H2 H2O C3155 52.992 42.291 22.806 0.00 0.00 -ATOM 9466 O1 H2O C3156 37.718 40.182 59.022 0.00 0.00 -ATOM 9467 H1 H2O C3156 37.480 40.941 59.628 0.00 0.00 -ATOM 9468 H2 H2O C3156 37.052 39.444 59.135 0.00 0.00 -ATOM 9469 O1 H2O C3157 5.788 6.522 28.957 0.00 0.00 -ATOM 9470 H1 H2O C3157 5.218 5.978 29.572 0.00 0.00 -ATOM 9471 H2 H2O C3157 6.614 6.815 29.440 0.00 0.00 -ATOM 9472 O1 H2O C3158 8.722 25.511 54.422 0.00 0.00 -ATOM 9473 H1 H2O C3158 8.401 25.082 55.266 0.00 0.00 -ATOM 9474 H2 H2O C3158 7.939 25.714 53.833 0.00 0.00 -ATOM 9475 O1 H2O C3159 47.530 5.192 31.574 0.00 0.00 -ATOM 9476 H1 H2O C3159 47.013 5.552 30.798 0.00 0.00 -ATOM 9477 H2 H2O C3159 46.946 4.583 32.110 0.00 0.00 -ATOM 9478 O1 H2O C3160 34.632 34.116 14.862 0.00 0.00 -ATOM 9479 H1 H2O C3160 34.311 33.168 14.887 0.00 0.00 -ATOM 9480 H2 H2O C3160 34.776 34.443 15.796 0.00 0.00 -ATOM 9481 O1 H2O C3161 23.957 52.313 33.390 0.00 0.00 -ATOM 9482 H1 H2O C3161 23.319 51.976 32.698 0.00 0.00 -ATOM 9483 H2 H2O C3161 24.768 51.729 33.407 0.00 0.00 -ATOM 9484 O1 H2O C3162 21.728 0.772 57.245 0.00 0.00 -ATOM 9485 H1 H2O C3162 21.144 0.460 56.496 0.00 0.00 -ATOM 9486 H2 H2O C3162 22.381 0.052 57.480 0.00 0.00 -ATOM 9487 O1 H2O C3163 34.694 22.309 52.740 0.00 0.00 -ATOM 9488 H1 H2O C3163 35.136 23.067 53.220 0.00 0.00 -ATOM 9489 H2 H2O C3163 34.137 21.786 53.385 0.00 0.00 -ATOM 9490 O1 H2O C3164 36.552 57.287 0.396 0.00 0.00 -ATOM 9491 H1 H2O C3164 35.674 56.930 0.077 0.00 0.00 -ATOM 9492 H2 H2O C3164 37.270 57.034 -0.252 0.00 0.00 -ATOM 9493 O1 H2O C3165 53.982 41.098 54.385 0.00 0.00 -ATOM 9494 H1 H2O C3165 53.306 41.575 53.824 0.00 0.00 -ATOM 9495 H2 H2O C3165 54.686 41.744 54.681 0.00 0.00 -ATOM 9496 O1 H2O C3166 55.048 52.752 15.565 0.00 0.00 -ATOM 9497 H1 H2O C3166 54.793 52.841 14.603 0.00 0.00 -ATOM 9498 H2 H2O C3166 55.216 53.660 15.950 0.00 0.00 -ATOM 9499 O1 H2O C3167 31.304 1.779 48.791 0.00 0.00 -ATOM 9500 H1 H2O C3167 31.356 1.776 49.790 0.00 0.00 -ATOM 9501 H2 H2O C3167 30.349 1.861 48.508 0.00 0.00 -ATOM 9502 O1 H2O C3168 49.631 4.077 10.228 0.00 0.00 -ATOM 9503 H1 H2O C3168 49.606 4.315 11.198 0.00 0.00 -ATOM 9504 H2 H2O C3168 49.217 3.176 10.095 0.00 0.00 -ATOM 9505 O1 H2O C3169 55.300 38.414 7.108 0.00 0.00 -ATOM 9506 H1 H2O C3169 55.595 38.795 7.984 0.00 0.00 -ATOM 9507 H2 H2O C3169 56.097 38.085 6.602 0.00 0.00 -ATOM 9508 O1 H2O C3170 9.608 31.229 29.851 0.00 0.00 -ATOM 9509 H1 H2O C3170 9.393 30.743 29.004 0.00 0.00 -ATOM 9510 H2 H2O C3170 10.391 30.793 30.295 0.00 0.00 -ATOM 9511 O1 H2O C3171 7.126 11.451 1.131 0.00 0.00 -ATOM 9512 H1 H2O C3171 6.604 12.240 0.808 0.00 0.00 -ATOM 9513 H2 H2O C3171 6.676 10.609 0.835 0.00 0.00 -ATOM 9514 O1 H2O C3172 4.809 29.992 41.923 0.00 0.00 -ATOM 9515 H1 H2O C3172 4.883 29.868 42.913 0.00 0.00 -ATOM 9516 H2 H2O C3172 5.126 30.908 41.678 0.00 0.00 -ATOM 9517 O1 H2O C3173 55.924 14.778 43.375 0.00 0.00 -ATOM 9518 H1 H2O C3173 55.833 13.935 43.905 0.00 0.00 -ATOM 9519 H2 H2O C3173 55.672 15.559 43.946 0.00 0.00 -ATOM 9520 O1 H2O C3174 36.134 48.073 28.704 0.00 0.00 -ATOM 9521 H1 H2O C3174 37.083 47.892 28.962 0.00 0.00 -ATOM 9522 H2 H2O C3174 35.587 47.249 28.847 0.00 0.00 -ATOM 9523 O1 H2O C3175 26.818 34.767 0.982 0.00 0.00 -ATOM 9524 H1 H2O C3175 26.780 34.005 0.335 0.00 0.00 -ATOM 9525 H2 H2O C3175 27.581 35.367 0.745 0.00 0.00 -ATOM 9526 O1 H2O C3176 5.306 23.489 4.434 0.00 0.00 -ATOM 9527 H1 H2O C3176 4.373 23.844 4.375 0.00 0.00 -ATOM 9528 H2 H2O C3176 5.280 22.490 4.472 0.00 0.00 -ATOM 9529 O1 H2O C3177 19.531 1.619 12.075 0.00 0.00 -ATOM 9530 H1 H2O C3177 19.725 0.867 11.445 0.00 0.00 -ATOM 9531 H2 H2O C3177 18.684 2.074 11.800 0.00 0.00 -ATOM 9532 O1 H2O C3178 49.568 53.134 53.214 0.00 0.00 -ATOM 9533 H1 H2O C3178 49.254 52.236 52.905 0.00 0.00 -ATOM 9534 H2 H2O C3178 50.308 53.451 52.620 0.00 0.00 -ATOM 9535 O1 H2O C3179 19.056 37.659 1.003 0.00 0.00 -ATOM 9536 H1 H2O C3179 19.108 38.584 0.625 0.00 0.00 -ATOM 9537 H2 H2O C3179 19.260 36.994 0.284 0.00 0.00 -ATOM 9538 O1 H2O C3180 45.653 21.994 35.904 0.00 0.00 -ATOM 9539 H1 H2O C3180 46.610 22.059 35.619 0.00 0.00 -ATOM 9540 H2 H2O C3180 45.604 21.585 36.815 0.00 0.00 -ATOM 9541 O1 H2O C3181 29.856 6.860 28.388 0.00 0.00 -ATOM 9542 H1 H2O C3181 29.814 7.834 28.614 0.00 0.00 -ATOM 9543 H2 H2O C3181 30.724 6.661 27.934 0.00 0.00 -ATOM 9544 O1 H2O C3182 55.255 6.616 58.104 0.00 0.00 -ATOM 9545 H1 H2O C3182 54.922 7.538 58.302 0.00 0.00 -ATOM 9546 H2 H2O C3182 54.970 6.350 57.183 0.00 0.00 -ATOM 9547 O1 H2O C3183 22.533 16.923 9.495 0.00 0.00 -ATOM 9548 H1 H2O C3183 22.327 17.317 8.599 0.00 0.00 -ATOM 9549 H2 H2O C3183 22.573 17.652 10.178 0.00 0.00 -ATOM 9550 O1 H2O C3184 43.857 37.191 13.784 0.00 0.00 -ATOM 9551 H1 H2O C3184 43.555 36.777 12.925 0.00 0.00 -ATOM 9552 H2 H2O C3184 43.825 38.187 13.703 0.00 0.00 -ATOM 9553 O1 H2O C3185 58.097 24.742 48.497 0.00 0.00 -ATOM 9554 H1 H2O C3185 57.816 25.007 47.574 0.00 0.00 -ATOM 9555 H2 H2O C3185 57.513 23.998 48.822 0.00 0.00 -ATOM 9556 O1 H2O C3186 3.745 20.140 33.306 0.00 0.00 -ATOM 9557 H1 H2O C3186 3.638 20.854 32.615 0.00 0.00 -ATOM 9558 H2 H2O C3186 3.029 19.452 33.189 0.00 0.00 -ATOM 9559 O1 H2O C3187 7.399 4.590 44.415 0.00 0.00 -ATOM 9560 H1 H2O C3187 7.808 5.444 44.737 0.00 0.00 -ATOM 9561 H2 H2O C3187 7.226 4.654 43.432 0.00 0.00 -ATOM 9562 O1 H2O C3188 2.329 43.276 43.011 0.00 0.00 -ATOM 9563 H1 H2O C3188 2.353 42.347 43.381 0.00 0.00 -ATOM 9564 H2 H2O C3188 1.427 43.455 42.619 0.00 0.00 -ATOM 9565 O1 H2O C3189 19.385 30.145 22.945 0.00 0.00 -ATOM 9566 H1 H2O C3189 18.974 30.406 23.818 0.00 0.00 -ATOM 9567 H2 H2O C3189 20.358 30.379 22.951 0.00 0.00 -ATOM 9568 O1 H2O C3190 38.308 2.832 5.259 0.00 0.00 -ATOM 9569 H1 H2O C3190 37.620 2.555 4.589 0.00 0.00 -ATOM 9570 H2 H2O C3190 37.994 3.649 5.742 0.00 0.00 -ATOM 9571 O1 H2O C3191 8.771 21.515 9.084 0.00 0.00 -ATOM 9572 H1 H2O C3191 8.767 21.370 8.095 0.00 0.00 -ATOM 9573 H2 H2O C3191 7.925 21.156 9.477 0.00 0.00 -ATOM 9574 O1 H2O C3192 47.188 29.400 27.665 0.00 0.00 -ATOM 9575 H1 H2O C3192 47.001 29.797 26.766 0.00 0.00 -ATOM 9576 H2 H2O C3192 46.960 28.426 27.652 0.00 0.00 -ATOM 9577 O1 H2O C3193 3.644 33.280 43.920 0.00 0.00 -ATOM 9578 H1 H2O C3193 3.784 32.331 44.203 0.00 0.00 -ATOM 9579 H2 H2O C3193 3.076 33.302 43.098 0.00 0.00 -ATOM 9580 O1 H2O C3194 15.330 31.234 14.580 0.00 0.00 -ATOM 9581 H1 H2O C3194 15.912 31.252 13.767 0.00 0.00 -ATOM 9582 H2 H2O C3194 14.810 32.086 14.637 0.00 0.00 -ATOM 9583 O1 H2O C3195 57.660 49.766 36.696 0.00 0.00 -ATOM 9584 H1 H2O C3195 58.358 49.072 36.875 0.00 0.00 -ATOM 9585 H2 H2O C3195 57.060 49.848 37.491 0.00 0.00 -ATOM 9586 O1 H2O C3196 51.246 44.765 13.482 0.00 0.00 -ATOM 9587 H1 H2O C3196 51.365 43.937 14.030 0.00 0.00 -ATOM 9588 H2 H2O C3196 51.826 45.493 13.847 0.00 0.00 -ATOM 9589 O1 H2O C3197 24.251 53.127 21.501 0.00 0.00 -ATOM 9590 H1 H2O C3197 24.799 53.213 20.669 0.00 0.00 -ATOM 9591 H2 H2O C3197 24.236 52.170 21.792 0.00 0.00 -ATOM 9592 O1 H2O C3198 8.966 30.523 33.683 0.00 0.00 -ATOM 9593 H1 H2O C3198 9.572 30.075 34.340 0.00 0.00 -ATOM 9594 H2 H2O C3198 8.308 29.859 33.329 0.00 0.00 -ATOM 9595 O1 H2O C3199 39.621 50.048 36.764 0.00 0.00 -ATOM 9596 H1 H2O C3199 40.107 49.704 35.961 0.00 0.00 -ATOM 9597 H2 H2O C3199 38.635 49.963 36.618 0.00 0.00 -ATOM 9598 O1 H2O C3200 28.132 36.084 1.602 0.00 0.00 -ATOM 9599 H1 H2O C3200 27.144 36.037 1.749 0.00 0.00 -ATOM 9600 H2 H2O C3200 28.316 36.400 0.672 0.00 0.00 -ATOM 9601 O1 H2O C3201 51.866 7.454 59.808 0.00 0.00 -ATOM 9602 H1 H2O C3201 51.473 7.839 58.973 0.00 0.00 -ATOM 9603 H2 H2O C3201 52.073 6.486 59.663 0.00 0.00 -ATOM 9604 O1 H2O C3202 52.322 42.173 51.357 0.00 0.00 -ATOM 9605 H1 H2O C3202 52.005 42.255 52.302 0.00 0.00 -ATOM 9606 H2 H2O C3202 52.683 41.253 51.205 0.00 0.00 -ATOM 9607 O1 H2O C3203 48.454 20.267 10.477 0.00 0.00 -ATOM 9608 H1 H2O C3203 49.380 20.557 10.719 0.00 0.00 -ATOM 9609 H2 H2O C3203 48.495 19.621 9.715 0.00 0.00 -ATOM 9610 O1 H2O C3204 20.312 39.197 50.676 0.00 0.00 -ATOM 9611 H1 H2O C3204 19.935 39.762 51.410 0.00 0.00 -ATOM 9612 H2 H2O C3204 20.391 39.743 49.842 0.00 0.00 -ATOM 9613 O1 H2O C3205 32.917 26.717 51.723 0.00 0.00 -ATOM 9614 H1 H2O C3205 32.278 26.363 51.039 0.00 0.00 -ATOM 9615 H2 H2O C3205 33.270 25.960 52.272 0.00 0.00 -ATOM 9616 O1 H2O C3206 11.290 14.011 56.787 0.00 0.00 -ATOM 9617 H1 H2O C3206 10.456 13.678 57.227 0.00 0.00 -ATOM 9618 H2 H2O C3206 12.065 13.889 57.407 0.00 0.00 -ATOM 9619 O1 H2O C3207 31.211 36.978 23.385 0.00 0.00 -ATOM 9620 H1 H2O C3207 30.842 37.371 24.227 0.00 0.00 -ATOM 9621 H2 H2O C3207 32.125 36.614 23.559 0.00 0.00 -ATOM 9622 O1 H2O C3208 16.197 22.705 16.663 0.00 0.00 -ATOM 9623 H1 H2O C3208 15.618 23.522 16.666 0.00 0.00 -ATOM 9624 H2 H2O C3208 16.568 22.564 15.745 0.00 0.00 -ATOM 9625 O1 H2O C3209 24.591 30.164 48.858 0.00 0.00 -ATOM 9626 H1 H2O C3209 23.630 30.398 48.711 0.00 0.00 -ATOM 9627 H2 H2O C3209 24.941 30.672 49.646 0.00 0.00 -ATOM 9628 O1 H2O C3210 13.690 21.384 40.781 0.00 0.00 -ATOM 9629 H1 H2O C3210 12.805 21.825 40.927 0.00 0.00 -ATOM 9630 H2 H2O C3210 14.389 21.850 41.324 0.00 0.00 -ATOM 9631 O1 H2O C3211 34.125 20.040 5.541 0.00 0.00 -ATOM 9632 H1 H2O C3211 34.334 19.345 4.854 0.00 0.00 -ATOM 9633 H2 H2O C3211 34.289 20.949 5.157 0.00 0.00 -ATOM 9634 O1 H2O C3212 29.000 46.653 9.051 0.00 0.00 -ATOM 9635 H1 H2O C3212 28.956 46.275 8.126 0.00 0.00 -ATOM 9636 H2 H2O C3212 29.785 47.269 9.122 0.00 0.00 -ATOM 9637 O1 H2O C3213 15.012 39.162 16.156 0.00 0.00 -ATOM 9638 H1 H2O C3213 14.675 40.060 15.873 0.00 0.00 -ATOM 9639 H2 H2O C3213 14.293 38.679 16.656 0.00 0.00 -ATOM 9640 O1 H2O C3214 14.870 51.684 10.237 0.00 0.00 -ATOM 9641 H1 H2O C3214 15.371 50.875 9.931 0.00 0.00 -ATOM 9642 H2 H2O C3214 13.982 51.720 9.779 0.00 0.00 -ATOM 9643 O1 H2O C3215 45.692 55.153 51.987 0.00 0.00 -ATOM 9644 H1 H2O C3215 46.274 55.937 52.202 0.00 0.00 -ATOM 9645 H2 H2O C3215 46.194 54.307 52.166 0.00 0.00 -ATOM 9646 O1 H2O C3216 45.742 52.143 37.527 0.00 0.00 -ATOM 9647 H1 H2O C3216 46.658 51.951 37.879 0.00 0.00 -ATOM 9648 H2 H2O C3216 45.785 52.906 36.882 0.00 0.00 -ATOM 9649 O1 H2O C3217 43.106 27.333 47.623 0.00 0.00 -ATOM 9650 H1 H2O C3217 44.047 27.470 47.315 0.00 0.00 -ATOM 9651 H2 H2O C3217 43.007 27.680 48.556 0.00 0.00 -ATOM 9652 O1 H2O C3218 24.767 43.311 39.514 0.00 0.00 -ATOM 9653 H1 H2O C3218 24.681 42.330 39.690 0.00 0.00 -ATOM 9654 H2 H2O C3218 25.721 43.531 39.310 0.00 0.00 -ATOM 9655 O1 H2O C3219 3.724 15.052 9.334 0.00 0.00 -ATOM 9656 H1 H2O C3219 2.999 15.467 8.785 0.00 0.00 -ATOM 9657 H2 H2O C3219 3.374 14.231 9.784 0.00 0.00 -ATOM 9658 O1 H2O C3220 47.385 20.286 1.100 0.00 0.00 -ATOM 9659 H1 H2O C3220 46.992 19.684 0.405 0.00 0.00 -ATOM 9660 H2 H2O C3220 47.305 21.237 0.801 0.00 0.00 -ATOM 9661 O1 H2O C3221 37.274 26.635 39.036 0.00 0.00 -ATOM 9662 H1 H2O C3221 38.202 26.437 39.352 0.00 0.00 -ATOM 9663 H2 H2O C3221 37.253 26.623 38.036 0.00 0.00 -ATOM 9664 O1 H2O C3222 20.311 14.820 35.739 0.00 0.00 -ATOM 9665 H1 H2O C3222 20.969 14.335 36.316 0.00 0.00 -ATOM 9666 H2 H2O C3222 19.952 14.194 35.046 0.00 0.00 -ATOM 9667 O1 H2O C3223 59.286 46.925 5.789 0.00 0.00 -ATOM 9668 H1 H2O C3223 59.460 46.242 6.499 0.00 0.00 -ATOM 9669 H2 H2O C3223 58.311 47.147 5.772 0.00 0.00 -ATOM 9670 O1 H2O C3224 51.948 31.324 12.656 0.00 0.00 -ATOM 9671 H1 H2O C3224 52.540 31.436 13.454 0.00 0.00 -ATOM 9672 H2 H2O C3224 52.043 32.118 12.056 0.00 0.00 -ATOM 9673 O1 H2O C3225 26.119 30.304 7.095 0.00 0.00 -ATOM 9674 H1 H2O C3225 25.149 30.096 7.216 0.00 0.00 -ATOM 9675 H2 H2O C3225 26.233 30.920 6.315 0.00 0.00 -ATOM 9676 O1 H2O C3226 7.219 35.903 44.144 0.00 0.00 -ATOM 9677 H1 H2O C3226 6.507 35.372 43.684 0.00 0.00 -ATOM 9678 H2 H2O C3226 8.049 35.350 44.221 0.00 0.00 -ATOM 9679 O1 H2O C3227 38.390 43.162 53.629 0.00 0.00 -ATOM 9680 H1 H2O C3227 37.693 43.023 54.332 0.00 0.00 -ATOM 9681 H2 H2O C3227 39.246 43.451 54.059 0.00 0.00 -ATOM 9682 O1 H2O C3228 24.187 30.991 55.378 0.00 0.00 -ATOM 9683 H1 H2O C3228 23.793 30.580 56.200 0.00 0.00 -ATOM 9684 H2 H2O C3228 24.153 30.332 54.627 0.00 0.00 -ATOM 9685 O1 H2O C3229 6.817 34.633 6.440 0.00 0.00 -ATOM 9686 H1 H2O C3229 6.684 35.576 6.134 0.00 0.00 -ATOM 9687 H2 H2O C3229 6.080 34.380 7.067 0.00 0.00 -ATOM 9688 O1 H2O C3230 52.462 15.810 32.592 0.00 0.00 -ATOM 9689 H1 H2O C3230 53.172 15.623 31.913 0.00 0.00 -ATOM 9690 H2 H2O C3230 51.767 16.408 32.192 0.00 0.00 -ATOM 9691 O1 H2O C3231 22.323 37.893 51.670 0.00 0.00 -ATOM 9692 H1 H2O C3231 22.496 36.909 51.649 0.00 0.00 -ATOM 9693 H2 H2O C3231 22.449 38.234 52.602 0.00 0.00 -ATOM 9694 O1 H2O C3232 28.460 6.737 40.079 0.00 0.00 -ATOM 9695 H1 H2O C3232 27.653 6.154 40.175 0.00 0.00 -ATOM 9696 H2 H2O C3232 28.937 6.793 40.956 0.00 0.00 -ATOM 9697 O1 H2O C3233 29.778 8.267 20.686 0.00 0.00 -ATOM 9698 H1 H2O C3233 28.955 8.324 21.253 0.00 0.00 -ATOM 9699 H2 H2O C3233 30.586 8.241 21.275 0.00 0.00 -ATOM 9700 O1 H2O C3234 39.088 35.459 59.043 0.00 0.00 -ATOM 9701 H1 H2O C3234 39.291 34.484 58.952 0.00 0.00 -ATOM 9702 H2 H2O C3234 39.756 35.883 59.654 0.00 0.00 -ATOM 9703 O1 H2O C3235 26.165 50.494 19.426 0.00 0.00 -ATOM 9704 H1 H2O C3235 25.831 50.481 18.483 0.00 0.00 -ATOM 9705 H2 H2O C3235 25.399 50.348 20.052 0.00 0.00 -ATOM 9706 O1 H2O C3236 46.976 14.502 1.323 0.00 0.00 -ATOM 9707 H1 H2O C3236 47.684 14.948 0.775 0.00 0.00 -ATOM 9708 H2 H2O C3236 47.264 14.478 2.281 0.00 0.00 -ATOM 9709 O1 H2O C3237 46.369 5.831 27.076 0.00 0.00 -ATOM 9710 H1 H2O C3237 45.588 6.409 27.313 0.00 0.00 -ATOM 9711 H2 H2O C3237 46.403 5.707 26.084 0.00 0.00 -ATOM 9712 O1 H2O C3238 12.870 27.572 34.383 0.00 0.00 -ATOM 9713 H1 H2O C3238 13.122 27.847 33.455 0.00 0.00 -ATOM 9714 H2 H2O C3238 12.015 28.020 34.643 0.00 0.00 -ATOM 9715 O1 H2O C3239 14.101 33.617 42.711 0.00 0.00 -ATOM 9716 H1 H2O C3239 14.282 33.064 41.898 0.00 0.00 -ATOM 9717 H2 H2O C3239 14.582 33.224 43.495 0.00 0.00 -ATOM 9718 O1 H2O C3240 53.519 32.708 30.816 0.00 0.00 -ATOM 9719 H1 H2O C3240 52.840 32.901 31.524 0.00 0.00 -ATOM 9720 H2 H2O C3240 53.456 31.747 30.547 0.00 0.00 -ATOM 9721 O1 H2O C3241 57.922 48.769 39.678 0.00 0.00 -ATOM 9722 H1 H2O C3241 58.390 48.557 40.536 0.00 0.00 -ATOM 9723 H2 H2O C3241 57.821 49.760 39.590 0.00 0.00 -ATOM 9724 O1 H2O C3242 21.001 4.955 4.642 0.00 0.00 -ATOM 9725 H1 H2O C3242 20.929 5.097 5.629 0.00 0.00 -ATOM 9726 H2 H2O C3242 20.639 5.754 4.163 0.00 0.00 -ATOM 9727 O1 H2O C3243 9.483 6.073 42.629 0.00 0.00 -ATOM 9728 H1 H2O C3243 10.237 5.544 42.239 0.00 0.00 -ATOM 9729 H2 H2O C3243 9.544 6.052 43.627 0.00 0.00 -ATOM 9730 O1 H2O C3244 40.457 40.048 9.419 0.00 0.00 -ATOM 9731 H1 H2O C3244 40.083 40.809 9.950 0.00 0.00 -ATOM 9732 H2 H2O C3244 41.158 40.390 8.794 0.00 0.00 -ATOM 9733 O1 H2O C3245 15.216 53.696 36.665 0.00 0.00 -ATOM 9734 H1 H2O C3245 14.972 54.636 36.902 0.00 0.00 -ATOM 9735 H2 H2O C3245 14.914 53.498 35.732 0.00 0.00 -ATOM 9736 O1 H2O C3246 16.830 41.172 8.268 0.00 0.00 -ATOM 9737 H1 H2O C3246 17.500 41.915 8.239 0.00 0.00 -ATOM 9738 H2 H2O C3246 15.931 41.543 8.498 0.00 0.00 -ATOM 9739 O1 H2O C3247 23.781 21.303 2.335 0.00 0.00 -ATOM 9740 H1 H2O C3247 23.207 21.408 1.522 0.00 0.00 -ATOM 9741 H2 H2O C3247 24.550 20.700 2.124 0.00 0.00 -ATOM 9742 O1 H2O C3248 36.915 2.510 12.491 0.00 0.00 -ATOM 9743 H1 H2O C3248 35.968 2.645 12.782 0.00 0.00 -ATOM 9744 H2 H2O C3248 37.450 2.147 13.255 0.00 0.00 -ATOM 9745 O1 H2O C3249 22.936 54.243 1.883 0.00 0.00 -ATOM 9746 H1 H2O C3249 22.398 53.606 2.435 0.00 0.00 -ATOM 9747 H2 H2O C3249 23.041 55.106 2.377 0.00 0.00 -ATOM 9748 O1 H2O C3250 21.838 33.858 53.292 0.00 0.00 -ATOM 9749 H1 H2O C3250 22.320 34.610 53.742 0.00 0.00 -ATOM 9750 H2 H2O C3250 21.935 33.946 52.301 0.00 0.00 -ATOM 9751 O1 H2O C3251 13.318 8.299 22.143 0.00 0.00 -ATOM 9752 H1 H2O C3251 13.086 7.445 22.610 0.00 0.00 -ATOM 9753 H2 H2O C3251 14.118 8.154 21.562 0.00 0.00 -ATOM 9754 O1 H2O C3252 38.184 8.251 51.868 0.00 0.00 -ATOM 9755 H1 H2O C3252 37.286 7.814 51.921 0.00 0.00 -ATOM 9756 H2 H2O C3252 38.403 8.670 52.749 0.00 0.00 -ATOM 9757 O1 H2O C3253 11.493 6.744 56.793 0.00 0.00 -ATOM 9758 H1 H2O C3253 11.746 6.759 55.826 0.00 0.00 -ATOM 9759 H2 H2O C3253 11.539 5.806 57.136 0.00 0.00 -ATOM 9760 O1 H2O C3254 44.092 32.201 35.051 0.00 0.00 -ATOM 9761 H1 H2O C3254 44.270 31.282 34.701 0.00 0.00 -ATOM 9762 H2 H2O C3254 44.249 32.218 36.039 0.00 0.00 -ATOM 9763 O1 H2O C3255 7.688 50.280 15.288 0.00 0.00 -ATOM 9764 H1 H2O C3255 7.144 49.503 14.972 0.00 0.00 -ATOM 9765 H2 H2O C3255 7.297 51.128 14.930 0.00 0.00 -ATOM 9766 O1 H2O C3256 19.051 15.462 14.345 0.00 0.00 -ATOM 9767 H1 H2O C3256 18.376 15.173 15.023 0.00 0.00 -ATOM 9768 H2 H2O C3256 18.694 15.296 13.426 0.00 0.00 -ATOM 9769 O1 H2O C3257 20.653 38.829 23.847 0.00 0.00 -ATOM 9770 H1 H2O C3257 21.420 38.654 24.463 0.00 0.00 -ATOM 9771 H2 H2O C3257 20.894 39.565 23.214 0.00 0.00 -ATOM 9772 O1 H2O C3258 44.883 40.724 56.984 0.00 0.00 -ATOM 9773 H1 H2O C3258 43.908 40.663 57.197 0.00 0.00 -ATOM 9774 H2 H2O C3258 45.218 41.637 57.214 0.00 0.00 -ATOM 9775 O1 H2O C3259 10.070 40.263 54.497 0.00 0.00 -ATOM 9776 H1 H2O C3259 9.996 40.020 55.464 0.00 0.00 -ATOM 9777 H2 H2O C3259 11.011 40.530 54.292 0.00 0.00 -ATOM 9778 O1 H2O C3260 38.261 21.907 16.428 0.00 0.00 -ATOM 9779 H1 H2O C3260 38.712 21.625 15.581 0.00 0.00 -ATOM 9780 H2 H2O C3260 38.582 22.817 16.690 0.00 0.00 -ATOM 9781 O1 H2O C3261 58.917 49.513 1.764 0.00 0.00 -ATOM 9782 H1 H2O C3261 58.574 48.574 1.747 0.00 0.00 -ATOM 9783 H2 H2O C3261 58.250 50.119 1.328 0.00 0.00 -ATOM 9784 O1 H2O C3262 56.978 24.482 42.946 0.00 0.00 -ATOM 9785 H1 H2O C3262 56.487 25.203 42.457 0.00 0.00 -ATOM 9786 H2 H2O C3262 56.468 23.624 42.877 0.00 0.00 -ATOM 9787 O1 H2O C3263 17.258 50.644 24.791 0.00 0.00 -ATOM 9788 H1 H2O C3263 17.734 50.469 23.929 0.00 0.00 -ATOM 9789 H2 H2O C3263 16.895 49.785 25.152 0.00 0.00 -ATOM 9790 O1 H2O C3264 40.275 34.267 8.575 0.00 0.00 -ATOM 9791 H1 H2O C3264 41.274 34.233 8.604 0.00 0.00 -ATOM 9792 H2 H2O C3264 39.961 34.055 7.649 0.00 0.00 -ATOM 9793 O1 H2O C3265 26.420 58.898 38.728 0.00 0.00 -ATOM 9794 H1 H2O C3265 26.191 58.551 37.819 0.00 0.00 -ATOM 9795 H2 H2O C3265 26.223 59.878 38.771 0.00 0.00 -ATOM 9796 O1 H2O C3266 25.017 37.662 30.011 0.00 0.00 -ATOM 9797 H1 H2O C3266 24.030 37.525 30.094 0.00 0.00 -ATOM 9798 H2 H2O C3266 25.294 38.440 30.576 0.00 0.00 -ATOM 9799 O1 H2O C3267 55.992 31.183 31.157 0.00 0.00 -ATOM 9800 H1 H2O C3267 55.108 30.848 30.833 0.00 0.00 -ATOM 9801 H2 H2O C3267 56.429 30.481 31.720 0.00 0.00 -ATOM 9802 O1 H2O C3268 51.044 17.382 13.636 0.00 0.00 -ATOM 9803 H1 H2O C3268 50.113 17.019 13.588 0.00 0.00 -ATOM 9804 H2 H2O C3268 51.333 17.676 12.724 0.00 0.00 -ATOM 9805 O1 H2O C3269 34.012 58.088 44.760 0.00 0.00 -ATOM 9806 H1 H2O C3269 33.826 58.486 45.659 0.00 0.00 -ATOM 9807 H2 H2O C3269 34.625 57.304 44.864 0.00 0.00 -ATOM 9808 O1 H2O C3270 9.795 51.007 28.945 0.00 0.00 -ATOM 9809 H1 H2O C3270 9.914 51.898 28.506 0.00 0.00 -ATOM 9810 H2 H2O C3270 10.114 50.287 28.329 0.00 0.00 -ATOM 9811 O1 H2O C3271 2.398 55.884 11.338 0.00 0.00 -ATOM 9812 H1 H2O C3271 2.577 55.159 12.002 0.00 0.00 -ATOM 9813 H2 H2O C3271 2.338 55.489 10.421 0.00 0.00 -ATOM 9814 O1 H2O C3272 29.492 28.290 45.447 0.00 0.00 -ATOM 9815 H1 H2O C3272 29.717 28.751 44.590 0.00 0.00 -ATOM 9816 H2 H2O C3272 29.367 27.312 45.277 0.00 0.00 -ATOM 9817 O1 H2O C3273 1.302 15.760 4.354 0.00 0.00 -ATOM 9818 H1 H2O C3273 1.499 15.380 5.257 0.00 0.00 -ATOM 9819 H2 H2O C3273 0.458 16.295 4.394 0.00 0.00 -ATOM 9820 O1 H2O C3274 50.101 45.257 31.096 0.00 0.00 -ATOM 9821 H1 H2O C3274 49.837 45.896 31.819 0.00 0.00 -ATOM 9822 H2 H2O C3274 51.006 44.881 31.298 0.00 0.00 -ATOM 9823 O1 H2O C3275 35.778 11.889 20.474 0.00 0.00 -ATOM 9824 H1 H2O C3275 35.493 11.428 21.314 0.00 0.00 -ATOM 9825 H2 H2O C3275 35.259 11.524 19.701 0.00 0.00 -ATOM 9826 O1 H2O C3276 0.218 58.801 49.328 0.00 0.00 -ATOM 9827 H1 H2O C3276 -0.300 59.565 48.942 0.00 0.00 -ATOM 9828 H2 H2O C3276 0.626 58.267 48.587 0.00 0.00 -ATOM 9829 O1 H2O C3277 54.844 58.913 7.484 0.00 0.00 -ATOM 9830 H1 H2O C3277 55.480 58.542 6.807 0.00 0.00 -ATOM 9831 H2 H2O C3277 53.908 58.670 7.231 0.00 0.00 -ATOM 9832 O1 H2O C3278 11.445 35.498 49.006 0.00 0.00 -ATOM 9833 H1 H2O C3278 12.284 36.040 49.062 0.00 0.00 -ATOM 9834 H2 H2O C3278 11.544 34.804 48.293 0.00 0.00 -ATOM 9835 O1 H2O C3279 40.423 57.014 34.792 0.00 0.00 -ATOM 9836 H1 H2O C3279 40.122 56.957 33.841 0.00 0.00 -ATOM 9837 H2 H2O C3279 41.422 56.973 34.829 0.00 0.00 -ATOM 9838 O1 H2O C3280 25.997 32.025 43.621 0.00 0.00 -ATOM 9839 H1 H2O C3280 26.945 32.335 43.684 0.00 0.00 -ATOM 9840 H2 H2O C3280 25.432 32.755 43.237 0.00 0.00 -ATOM 9841 O1 H2O C3281 31.665 29.558 30.881 0.00 0.00 -ATOM 9842 H1 H2O C3281 32.036 29.936 30.033 0.00 0.00 -ATOM 9843 H2 H2O C3281 31.566 28.568 30.790 0.00 0.00 -ATOM 9844 O1 H2O C3282 21.834 43.199 36.258 0.00 0.00 -ATOM 9845 H1 H2O C3282 22.260 43.963 35.774 0.00 0.00 -ATOM 9846 H2 H2O C3282 21.455 42.554 35.594 0.00 0.00 -ATOM 9847 O1 H2O C3283 5.870 37.892 57.625 0.00 0.00 -ATOM 9848 H1 H2O C3283 4.957 38.155 57.313 0.00 0.00 -ATOM 9849 H2 H2O C3283 6.074 38.355 58.488 0.00 0.00 -ATOM 9850 O1 H2O C3284 20.572 31.029 12.873 0.00 0.00 -ATOM 9851 H1 H2O C3284 19.661 30.869 12.494 0.00 0.00 -ATOM 9852 H2 H2O C3284 21.211 31.233 12.130 0.00 0.00 -ATOM 9853 O1 H2O C3285 38.126 14.217 58.106 0.00 0.00 -ATOM 9854 H1 H2O C3285 37.413 13.545 58.306 0.00 0.00 -ATOM 9855 H2 H2O C3285 38.890 13.765 57.645 0.00 0.00 -ATOM 9856 O1 H2O C3286 51.145 50.610 14.754 0.00 0.00 -ATOM 9857 H1 H2O C3286 51.203 51.526 14.357 0.00 0.00 -ATOM 9858 H2 H2O C3286 52.014 50.135 14.622 0.00 0.00 -ATOM 9859 O1 H2O C3287 25.190 48.992 18.381 0.00 0.00 -ATOM 9860 H1 H2O C3287 24.430 49.454 17.924 0.00 0.00 -ATOM 9861 H2 H2O C3287 25.620 48.350 17.747 0.00 0.00 -ATOM 9862 O1 H2O C3288 9.391 4.119 32.253 0.00 0.00 -ATOM 9863 H1 H2O C3288 8.597 3.618 32.598 0.00 0.00 -ATOM 9864 H2 H2O C3288 10.130 4.077 32.926 0.00 0.00 -ATOM 9865 O1 H2O C3289 1.866 7.024 43.759 0.00 0.00 -ATOM 9866 H1 H2O C3289 2.599 7.458 43.235 0.00 0.00 -ATOM 9867 H2 H2O C3289 1.355 7.722 44.260 0.00 0.00 -ATOM 9868 O1 H2O C3290 22.585 37.597 30.260 0.00 0.00 -ATOM 9869 H1 H2O C3290 21.604 37.619 30.066 0.00 0.00 -ATOM 9870 H2 H2O C3290 23.063 37.146 29.506 0.00 0.00 -ATOM 9871 O1 H2O C3291 7.099 58.596 52.743 0.00 0.00 -ATOM 9872 H1 H2O C3291 6.477 57.815 52.791 0.00 0.00 -ATOM 9873 H2 H2O C3291 6.674 59.388 53.181 0.00 0.00 -ATOM 9874 O1 H2O C3292 28.791 42.316 51.442 0.00 0.00 -ATOM 9875 H1 H2O C3292 29.143 41.496 50.992 0.00 0.00 -ATOM 9876 H2 H2O C3292 29.258 43.123 51.080 0.00 0.00 -ATOM 9877 O1 H2O C3293 33.440 38.777 27.111 0.00 0.00 -ATOM 9878 H1 H2O C3293 33.436 38.378 26.194 0.00 0.00 -ATOM 9879 H2 H2O C3293 32.788 38.287 27.689 0.00 0.00 -ATOM 9880 O1 H2O C3294 32.991 29.677 29.406 0.00 0.00 -ATOM 9881 H1 H2O C3294 32.813 29.227 30.281 0.00 0.00 -ATOM 9882 H2 H2O C3294 33.745 30.325 29.511 0.00 0.00 -ATOM 9883 O1 H2O C3295 42.316 42.317 25.478 0.00 0.00 -ATOM 9884 H1 H2O C3295 43.010 41.716 25.874 0.00 0.00 -ATOM 9885 H2 H2O C3295 42.734 42.892 24.774 0.00 0.00 -ATOM 9886 O1 H2O C3296 50.580 9.342 20.278 0.00 0.00 -ATOM 9887 H1 H2O C3296 51.453 9.829 20.306 0.00 0.00 -ATOM 9888 H2 H2O C3296 50.502 8.848 19.412 0.00 0.00 -ATOM 9889 O1 H2O C3297 13.973 44.397 47.914 0.00 0.00 -ATOM 9890 H1 H2O C3297 14.202 45.152 47.300 0.00 0.00 -ATOM 9891 H2 H2O C3297 13.076 44.562 48.324 0.00 0.00 -ATOM 9892 O1 H2O C3298 55.652 17.478 7.049 0.00 0.00 -ATOM 9893 H1 H2O C3298 56.438 16.937 6.749 0.00 0.00 -ATOM 9894 H2 H2O C3298 54.837 16.899 7.070 0.00 0.00 -ATOM 9895 O1 H2O C3299 49.405 22.344 2.471 0.00 0.00 -ATOM 9896 H1 H2O C3299 50.152 21.796 2.849 0.00 0.00 -ATOM 9897 H2 H2O C3299 49.502 23.293 2.773 0.00 0.00 -ATOM 9898 O1 H2O C3300 17.304 44.631 42.840 0.00 0.00 -ATOM 9899 H1 H2O C3300 17.229 44.719 43.834 0.00 0.00 -ATOM 9900 H2 H2O C3300 17.878 43.842 42.618 0.00 0.00 -ATOM 9901 O1 H2O C3301 30.154 55.654 8.086 0.00 0.00 -ATOM 9902 H1 H2O C3301 30.579 56.409 8.584 0.00 0.00 -ATOM 9903 H2 H2O C3301 29.348 55.989 7.597 0.00 0.00 -ATOM 9904 O1 H2O C3302 36.100 23.360 15.978 0.00 0.00 -ATOM 9905 H1 H2O C3302 36.030 24.343 16.150 0.00 0.00 -ATOM 9906 H2 H2O C3302 35.218 22.926 16.165 0.00 0.00 -ATOM 9907 O1 H2O C3303 13.543 59.189 40.774 0.00 0.00 -ATOM 9908 H1 H2O C3303 12.888 59.264 41.526 0.00 0.00 -ATOM 9909 H2 H2O C3303 14.354 58.693 41.085 0.00 0.00 -ATOM 9910 O1 H2O C3304 2.891 33.257 5.607 0.00 0.00 -ATOM 9911 H1 H2O C3304 2.368 33.673 6.350 0.00 0.00 -ATOM 9912 H2 H2O C3304 2.893 32.263 5.716 0.00 0.00 -ATOM 9913 O1 H2O C3305 52.721 54.910 53.514 0.00 0.00 -ATOM 9914 H1 H2O C3305 51.857 54.850 54.014 0.00 0.00 -ATOM 9915 H2 H2O C3305 52.677 55.668 52.863 0.00 0.00 -ATOM 9916 O1 H2O C3306 21.369 53.571 50.529 0.00 0.00 -ATOM 9917 H1 H2O C3306 21.655 52.614 50.482 0.00 0.00 -ATOM 9918 H2 H2O C3306 20.818 53.714 51.351 0.00 0.00 -ATOM 9919 O1 H2O C3307 21.582 16.623 8.323 0.00 0.00 -ATOM 9920 H1 H2O C3307 21.952 15.728 8.573 0.00 0.00 -ATOM 9921 H2 H2O C3307 21.524 17.199 9.139 0.00 0.00 -ATOM 9922 O1 H2O C3308 44.584 0.121 8.615 0.00 0.00 -ATOM 9923 H1 H2O C3308 43.704 -0.351 8.560 0.00 0.00 -ATOM 9924 H2 H2O C3308 44.714 0.680 7.796 0.00 0.00 -ATOM 9925 O1 H2O C3309 19.182 20.982 4.079 0.00 0.00 -ATOM 9926 H1 H2O C3309 19.745 20.428 3.465 0.00 0.00 -ATOM 9927 H2 H2O C3309 19.456 20.812 5.026 0.00 0.00 -ATOM 9928 O1 H2O C3310 25.612 42.289 49.500 0.00 0.00 -ATOM 9929 H1 H2O C3310 26.013 42.823 50.245 0.00 0.00 -ATOM 9930 H2 H2O C3310 24.741 41.900 49.799 0.00 0.00 -ATOM 9931 O1 H2O C3311 6.929 52.092 10.307 0.00 0.00 -ATOM 9932 H1 H2O C3311 6.900 53.092 10.278 0.00 0.00 -ATOM 9933 H2 H2O C3311 6.998 51.788 11.257 0.00 0.00 -ATOM 9934 O1 H2O C3312 40.421 33.764 15.274 0.00 0.00 -ATOM 9935 H1 H2O C3312 39.820 34.563 15.311 0.00 0.00 -ATOM 9936 H2 H2O C3312 41.224 33.977 14.717 0.00 0.00 -ATOM 9937 O1 H2O C3313 43.905 12.248 32.179 0.00 0.00 -ATOM 9938 H1 H2O C3313 43.024 11.976 32.568 0.00 0.00 -ATOM 9939 H2 H2O C3313 44.358 11.446 31.790 0.00 0.00 -ATOM 9940 O1 H2O C3314 39.019 20.347 45.662 0.00 0.00 -ATOM 9941 H1 H2O C3314 39.041 20.825 46.540 0.00 0.00 -ATOM 9942 H2 H2O C3314 38.170 20.568 45.183 0.00 0.00 -ATOM 9943 O1 H2O C3315 11.518 25.122 37.752 0.00 0.00 -ATOM 9944 H1 H2O C3315 10.528 25.186 37.883 0.00 0.00 -ATOM 9945 H2 H2O C3315 11.789 25.695 36.979 0.00 0.00 -ATOM 9946 O1 H2O C3316 33.437 2.314 30.450 0.00 0.00 -ATOM 9947 H1 H2O C3316 33.222 1.517 31.015 0.00 0.00 -ATOM 9948 H2 H2O C3316 32.686 2.972 30.502 0.00 0.00 -ATOM 9949 O1 H2O C3317 30.566 46.258 32.488 0.00 0.00 -ATOM 9950 H1 H2O C3317 30.705 45.792 31.614 0.00 0.00 -ATOM 9951 H2 H2O C3317 31.453 46.466 32.899 0.00 0.00 -ATOM 9952 O1 H2O C3318 52.128 21.628 18.912 0.00 0.00 -ATOM 9953 H1 H2O C3318 51.416 22.138 18.430 0.00 0.00 -ATOM 9954 H2 H2O C3318 52.948 21.579 18.341 0.00 0.00 -ATOM 9955 O1 H2O C3319 20.817 0.679 21.864 0.00 0.00 -ATOM 9956 H1 H2O C3319 20.062 0.028 21.946 0.00 0.00 -ATOM 9957 H2 H2O C3319 20.984 0.877 20.898 0.00 0.00 -ATOM 9958 O1 H2O C3320 7.275 4.656 55.251 0.00 0.00 -ATOM 9959 H1 H2O C3320 6.807 5.169 55.971 0.00 0.00 -ATOM 9960 H2 H2O C3320 6.605 4.134 54.724 0.00 0.00 -ATOM 9961 O1 H2O C3321 55.419 31.822 49.723 0.00 0.00 -ATOM 9962 H1 H2O C3321 55.194 32.482 49.006 0.00 0.00 -ATOM 9963 H2 H2O C3321 56.092 31.169 49.376 0.00 0.00 -ATOM 9964 O1 H2O C3322 12.382 9.471 2.523 0.00 0.00 -ATOM 9965 H1 H2O C3322 13.118 8.835 2.756 0.00 0.00 -ATOM 9966 H2 H2O C3322 12.303 9.539 1.528 0.00 0.00 -ATOM 9967 O1 H2O C3323 39.321 4.756 50.300 0.00 0.00 -ATOM 9968 H1 H2O C3323 39.093 3.782 50.336 0.00 0.00 -ATOM 9969 H2 H2O C3323 38.631 5.278 50.802 0.00 0.00 -ATOM 9970 O1 H2O C3324 41.095 5.910 43.402 0.00 0.00 -ATOM 9971 H1 H2O C3324 40.168 5.672 43.115 0.00 0.00 -ATOM 9972 H2 H2O C3324 41.354 6.788 42.999 0.00 0.00 -ATOM 9973 O1 H2O C3325 23.072 33.952 52.235 0.00 0.00 -ATOM 9974 H1 H2O C3325 22.364 33.759 52.913 0.00 0.00 -ATOM 9975 H2 H2O C3325 23.663 34.686 52.570 0.00 0.00 -ATOM 9976 O1 H2O C3326 8.856 36.672 35.483 0.00 0.00 -ATOM 9977 H1 H2O C3326 9.662 37.209 35.735 0.00 0.00 -ATOM 9978 H2 H2O C3326 8.032 37.142 35.798 0.00 0.00 -ATOM 9979 O1 H2O C3327 23.886 27.571 39.791 0.00 0.00 -ATOM 9980 H1 H2O C3327 24.593 28.279 39.810 0.00 0.00 -ATOM 9981 H2 H2O C3327 24.267 26.732 39.402 0.00 0.00 -ATOM 9982 O1 H2O C3328 30.995 45.489 57.869 0.00 0.00 -ATOM 9983 H1 H2O C3328 31.927 45.810 58.038 0.00 0.00 -ATOM 9984 H2 H2O C3328 30.504 46.167 57.322 0.00 0.00 -ATOM 9985 O1 H2O C3329 44.708 57.519 3.745 0.00 0.00 -ATOM 9986 H1 H2O C3329 45.607 57.743 3.369 0.00 0.00 -ATOM 9987 H2 H2O C3329 44.534 56.540 3.632 0.00 0.00 -ATOM 9988 O1 H2O C3330 56.082 27.537 37.376 0.00 0.00 -ATOM 9989 H1 H2O C3330 55.191 27.503 36.924 0.00 0.00 -ATOM 9990 H2 H2O C3330 56.490 26.624 37.379 0.00 0.00 -ATOM 9991 O1 H2O C3331 11.448 43.325 34.583 0.00 0.00 -ATOM 9992 H1 H2O C3331 11.651 42.401 34.258 0.00 0.00 -ATOM 9993 H2 H2O C3331 12.283 43.745 34.937 0.00 0.00 -ATOM 9994 O1 H2O C3332 3.638 14.079 20.995 0.00 0.00 -ATOM 9995 H1 H2O C3332 3.784 13.644 21.883 0.00 0.00 -ATOM 9996 H2 H2O C3332 4.240 13.660 20.315 0.00 0.00 -ATOM 9997 O1 H2O C3333 14.800 42.299 43.980 0.00 0.00 -ATOM 9998 H1 H2O C3333 15.414 41.579 44.303 0.00 0.00 -ATOM 9999 H2 H2O C3333 13.854 42.049 44.186 0.00 0.00 -ATOM 10000 O1 H2O C3334 21.399 24.618 49.036 0.00 0.00 -ATOM 10001 H1 H2O C3334 22.169 24.030 48.787 0.00 0.00 -ATOM 10002 H2 H2O C3334 20.799 24.734 48.244 0.00 0.00 -ATOM 10003 O1 H2O C3335 43.857 55.117 8.561 0.00 0.00 -ATOM 10004 H1 H2O C3335 44.199 55.927 9.037 0.00 0.00 -ATOM 10005 H2 H2O C3335 43.893 55.271 7.573 0.00 0.00 -ATOM 10006 O1 H2O C3336 18.259 13.188 15.338 0.00 0.00 -ATOM 10007 H1 H2O C3336 18.208 14.182 15.241 0.00 0.00 -ATOM 10008 H2 H2O C3336 18.982 12.832 14.746 0.00 0.00 -ATOM 10009 O1 H2O C3337 13.299 27.159 31.013 0.00 0.00 -ATOM 10010 H1 H2O C3337 12.546 27.697 30.635 0.00 0.00 -ATOM 10011 H2 H2O C3337 13.113 26.186 30.879 0.00 0.00 -ATOM 10012 O1 H2O C3338 54.071 25.722 5.368 0.00 0.00 -ATOM 10013 H1 H2O C3338 53.750 25.307 6.219 0.00 0.00 -ATOM 10014 H2 H2O C3338 53.401 26.392 5.049 0.00 0.00 -ATOM 10015 O1 H2O C3339 35.283 55.927 24.513 0.00 0.00 -ATOM 10016 H1 H2O C3339 35.120 55.205 25.185 0.00 0.00 -ATOM 10017 H2 H2O C3339 35.328 55.527 23.598 0.00 0.00 -ATOM 10018 O1 H2O C3340 4.346 25.534 52.421 0.00 0.00 -ATOM 10019 H1 H2O C3340 4.988 24.779 52.287 0.00 0.00 -ATOM 10020 H2 H2O C3340 3.668 25.277 53.111 0.00 0.00 -ATOM 10021 O1 H2O C3341 21.731 1.611 5.646 0.00 0.00 -ATOM 10022 H1 H2O C3341 21.615 2.517 5.238 0.00 0.00 -ATOM 10023 H2 H2O C3341 21.407 1.628 6.592 0.00 0.00 -ATOM 10024 O1 H2O C3342 27.623 36.326 55.567 0.00 0.00 -ATOM 10025 H1 H2O C3342 26.859 36.106 56.174 0.00 0.00 -ATOM 10026 H2 H2O C3342 27.694 35.628 54.855 0.00 0.00 -ATOM 10027 O1 H2O C3343 14.073 18.053 9.892 0.00 0.00 -ATOM 10028 H1 H2O C3343 13.233 18.310 10.369 0.00 0.00 -ATOM 10029 H2 H2O C3343 14.771 18.752 10.044 0.00 0.00 -ATOM 10030 O1 H2O C3344 12.360 59.661 36.837 0.00 0.00 -ATOM 10031 H1 H2O C3344 11.615 60.136 37.304 0.00 0.00 -ATOM 10032 H2 H2O C3344 12.267 58.676 36.976 0.00 0.00 -ATOM 10033 O1 H2O C3345 0.910 44.244 53.886 0.00 0.00 -ATOM 10034 H1 H2O C3345 0.664 44.830 53.113 0.00 0.00 -ATOM 10035 H2 H2O C3345 0.190 43.565 54.032 0.00 0.00 -ATOM 10036 O1 H2O C3346 49.402 27.925 50.635 0.00 0.00 -ATOM 10037 H1 H2O C3346 48.478 28.031 50.270 0.00 0.00 -ATOM 10038 H2 H2O C3346 49.525 28.540 51.414 0.00 0.00 -ATOM 10039 O1 H2O C3347 12.084 13.850 32.076 0.00 0.00 -ATOM 10040 H1 H2O C3347 11.475 14.436 31.543 0.00 0.00 -ATOM 10041 H2 H2O C3347 12.084 14.149 33.030 0.00 0.00 -ATOM 10042 O1 H2O C3348 2.187 18.335 29.998 0.00 0.00 -ATOM 10043 H1 H2O C3348 2.395 18.314 30.976 0.00 0.00 -ATOM 10044 H2 H2O C3348 2.868 17.796 29.501 0.00 0.00 -ATOM 10045 O1 H2O C3349 19.085 24.746 55.392 0.00 0.00 -ATOM 10046 H1 H2O C3349 19.797 24.692 56.092 0.00 0.00 -ATOM 10047 H2 H2O C3349 18.612 23.867 55.329 0.00 0.00 -ATOM 10048 O1 H2O C3350 12.731 13.130 50.650 0.00 0.00 -ATOM 10049 H1 H2O C3350 11.760 12.895 50.702 0.00 0.00 -ATOM 10050 H2 H2O C3350 13.140 13.059 51.560 0.00 0.00 -ATOM 10051 O1 H2O C3351 25.747 13.658 44.942 0.00 0.00 -ATOM 10052 H1 H2O C3351 24.887 14.030 45.292 0.00 0.00 -ATOM 10053 H2 H2O C3351 25.698 12.659 44.932 0.00 0.00 -ATOM 10054 O1 H2O C3352 26.774 56.424 45.225 0.00 0.00 -ATOM 10055 H1 H2O C3352 25.997 56.532 45.846 0.00 0.00 -ATOM 10056 H2 H2O C3352 26.497 55.874 44.437 0.00 0.00 -ATOM 10057 O1 H2O C3353 5.539 39.924 33.060 0.00 0.00 -ATOM 10058 H1 H2O C3353 4.909 40.025 32.290 0.00 0.00 -ATOM 10059 H2 H2O C3353 5.393 39.036 33.495 0.00 0.00 -ATOM 10060 O1 H2O C3354 22.030 31.716 10.637 0.00 0.00 -ATOM 10061 H1 H2O C3354 21.717 31.548 11.572 0.00 0.00 -ATOM 10062 H2 H2O C3354 22.747 32.413 10.646 0.00 0.00 -ATOM 10063 O1 H2O C3355 58.778 35.942 13.174 0.00 0.00 -ATOM 10064 H1 H2O C3355 59.398 36.670 12.882 0.00 0.00 -ATOM 10065 H2 H2O C3355 58.099 36.316 13.806 0.00 0.00 -ATOM 10066 O1 H2O C3356 54.305 4.583 26.327 0.00 0.00 -ATOM 10067 H1 H2O C3356 55.122 5.143 26.459 0.00 0.00 -ATOM 10068 H2 H2O C3356 54.357 3.775 26.913 0.00 0.00 -ATOM 10069 O1 H2O C3357 1.027 5.949 31.379 0.00 0.00 -ATOM 10070 H1 H2O C3357 1.167 5.782 32.355 0.00 0.00 -ATOM 10071 H2 H2O C3357 1.312 5.145 30.858 0.00 0.00 -ATOM 10072 O1 H2O C3358 17.265 38.503 6.937 0.00 0.00 -ATOM 10073 H1 H2O C3358 17.550 37.797 6.288 0.00 0.00 -ATOM 10074 H2 H2O C3358 16.402 38.233 7.365 0.00 0.00 -ATOM 10075 O1 H2O C3359 16.063 17.075 53.278 0.00 0.00 -ATOM 10076 H1 H2O C3359 16.029 17.994 53.671 0.00 0.00 -ATOM 10077 H2 H2O C3359 16.112 16.400 54.015 0.00 0.00 -ATOM 10078 O1 H2O C3360 29.359 56.373 35.447 0.00 0.00 -ATOM 10079 H1 H2O C3360 28.894 56.009 34.640 0.00 0.00 -ATOM 10080 H2 H2O C3360 28.843 57.149 35.807 0.00 0.00 -ATOM 10081 O1 H2O C3361 6.044 47.465 40.914 0.00 0.00 -ATOM 10082 H1 H2O C3361 5.390 48.221 40.923 0.00 0.00 -ATOM 10083 H2 H2O C3361 6.659 47.566 40.132 0.00 0.00 -ATOM 10084 O1 H2O C3362 25.180 29.794 59.767 0.00 0.00 -ATOM 10085 H1 H2O C3362 26.022 29.268 59.891 0.00 0.00 -ATOM 10086 H2 H2O C3362 24.742 29.525 58.910 0.00 0.00 -ATOM 10087 O1 H2O C3363 56.146 29.806 29.122 0.00 0.00 -ATOM 10088 H1 H2O C3363 55.558 29.634 29.913 0.00 0.00 -ATOM 10089 H2 H2O C3363 56.879 29.125 29.099 0.00 0.00 -ATOM 10090 O1 H2O C3364 39.609 45.494 27.252 0.00 0.00 -ATOM 10091 H1 H2O C3364 40.276 44.774 27.447 0.00 0.00 -ATOM 10092 H2 H2O C3364 38.937 45.156 26.593 0.00 0.00 -ATOM 10093 O1 H2O C3365 33.783 0.751 16.263 0.00 0.00 -ATOM 10094 H1 H2O C3365 34.392 0.815 17.054 0.00 0.00 -ATOM 10095 H2 H2O C3365 33.529 1.670 15.962 0.00 0.00 -ATOM 10096 O1 H2O C3366 20.072 40.927 11.287 0.00 0.00 -ATOM 10097 H1 H2O C3366 20.549 41.591 10.712 0.00 0.00 -ATOM 10098 H2 H2O C3366 20.742 40.372 11.781 0.00 0.00 -ATOM 10099 O1 H2O C3367 24.826 4.263 36.287 0.00 0.00 -ATOM 10100 H1 H2O C3367 23.847 4.071 36.344 0.00 0.00 -ATOM 10101 H2 H2O C3367 25.301 3.799 37.035 0.00 0.00 -ATOM 10102 O1 H2O C3368 43.861 22.966 23.727 0.00 0.00 -ATOM 10103 H1 H2O C3368 44.015 23.845 24.178 0.00 0.00 -ATOM 10104 H2 H2O C3368 43.763 23.109 22.743 0.00 0.00 -ATOM 10105 O1 H2O C3369 49.043 55.183 54.001 0.00 0.00 -ATOM 10106 H1 H2O C3369 48.884 55.112 53.016 0.00 0.00 -ATOM 10107 H2 H2O C3369 49.911 54.744 54.231 0.00 0.00 -ATOM 10108 O1 H2O C3370 17.675 23.559 52.568 0.00 0.00 -ATOM 10109 H1 H2O C3370 17.659 24.176 51.781 0.00 0.00 -ATOM 10110 H2 H2O C3370 16.940 22.887 52.479 0.00 0.00 -ATOM 10111 O1 H2O C3371 6.248 15.690 58.077 0.00 0.00 -ATOM 10112 H1 H2O C3371 6.542 14.956 57.465 0.00 0.00 -ATOM 10113 H2 H2O C3371 7.050 16.125 58.486 0.00 0.00 -ATOM 10114 O1 H2O C3372 30.816 22.753 35.004 0.00 0.00 -ATOM 10115 H1 H2O C3372 31.336 22.788 34.150 0.00 0.00 -ATOM 10116 H2 H2O C3372 29.914 22.358 34.830 0.00 0.00 -ATOM 10117 O1 H2O C3373 12.324 18.845 43.340 0.00 0.00 -ATOM 10118 H1 H2O C3373 12.653 17.973 42.979 0.00 0.00 -ATOM 10119 H2 H2O C3373 11.577 18.679 43.984 0.00 0.00 -ATOM 10120 O1 H2O C3374 33.431 22.938 13.886 0.00 0.00 -ATOM 10121 H1 H2O C3374 34.061 22.414 14.459 0.00 0.00 -ATOM 10122 H2 H2O C3374 33.246 22.431 13.044 0.00 0.00 -ATOM 10123 O1 H2O C3375 16.987 27.820 21.255 0.00 0.00 -ATOM 10124 H1 H2O C3375 17.156 27.650 22.226 0.00 0.00 -ATOM 10125 H2 H2O C3375 17.844 28.080 20.809 0.00 0.00 -ATOM 10126 O1 H2O C3376 47.447 18.664 24.605 0.00 0.00 -ATOM 10127 H1 H2O C3376 46.813 18.646 25.378 0.00 0.00 -ATOM 10128 H2 H2O C3376 46.945 18.877 23.767 0.00 0.00 -ATOM 10129 O1 H2O C3377 40.779 47.010 3.532 0.00 0.00 -ATOM 10130 H1 H2O C3377 40.429 46.156 3.146 0.00 0.00 -ATOM 10131 H2 H2O C3377 40.091 47.408 4.139 0.00 0.00 -ATOM 10132 O1 H2O C3378 52.112 15.381 3.807 0.00 0.00 -ATOM 10133 H1 H2O C3378 51.915 14.423 4.018 0.00 0.00 -ATOM 10134 H2 H2O C3378 53.050 15.596 4.080 0.00 0.00 -ATOM 10135 O1 H2O C3379 43.310 31.079 18.544 0.00 0.00 -ATOM 10136 H1 H2O C3379 43.550 30.304 19.129 0.00 0.00 -ATOM 10137 H2 H2O C3379 42.350 31.007 18.273 0.00 0.00 -ATOM 10138 O1 H2O C3380 51.631 7.218 55.894 0.00 0.00 -ATOM 10139 H1 H2O C3380 52.427 7.782 55.675 0.00 0.00 -ATOM 10140 H2 H2O C3380 51.820 6.267 55.652 0.00 0.00 -ATOM 10141 O1 H2O C3381 32.813 46.638 3.442 0.00 0.00 -ATOM 10142 H1 H2O C3381 32.773 46.945 2.491 0.00 0.00 -ATOM 10143 H2 H2O C3381 32.572 45.669 3.490 0.00 0.00 -ATOM 10144 O1 H2O C3382 6.545 36.321 3.188 0.00 0.00 -ATOM 10145 H1 H2O C3382 5.612 36.324 3.550 0.00 0.00 -ATOM 10146 H2 H2O C3382 7.085 37.023 3.651 0.00 0.00 -ATOM 10147 O1 H2O C3383 14.335 7.272 40.459 0.00 0.00 -ATOM 10148 H1 H2O C3383 14.829 7.878 41.082 0.00 0.00 -ATOM 10149 H2 H2O C3383 13.611 7.785 39.998 0.00 0.00 -ATOM 10150 O1 H2O C3384 8.729 11.028 36.572 0.00 0.00 -ATOM 10151 H1 H2O C3384 8.964 11.545 35.749 0.00 0.00 -ATOM 10152 H2 H2O C3384 9.552 10.591 36.936 0.00 0.00 -ATOM 10153 O1 H2O C3385 52.000 2.543 35.824 0.00 0.00 -ATOM 10154 H1 H2O C3385 51.026 2.623 36.039 0.00 0.00 -ATOM 10155 H2 H2O C3385 52.440 1.941 36.490 0.00 0.00 -ATOM 10156 O1 H2O C3386 46.508 25.024 40.398 0.00 0.00 -ATOM 10157 H1 H2O C3386 47.457 25.123 40.095 0.00 0.00 -ATOM 10158 H2 H2O C3386 45.947 25.734 39.971 0.00 0.00 -ATOM 10159 O1 H2O C3387 16.299 24.102 22.434 0.00 0.00 -ATOM 10160 H1 H2O C3387 16.142 24.845 21.784 0.00 0.00 -ATOM 10161 H2 H2O C3387 16.657 24.476 23.289 0.00 0.00 -ATOM 10162 O1 H2O C3388 33.312 43.504 44.157 0.00 0.00 -ATOM 10163 H1 H2O C3388 32.806 43.271 43.326 0.00 0.00 -ATOM 10164 H2 H2O C3388 32.998 42.928 44.911 0.00 0.00 -ATOM 10165 O1 H2O C3389 21.590 20.173 48.084 0.00 0.00 -ATOM 10166 H1 H2O C3389 20.727 20.445 47.660 0.00 0.00 -ATOM 10167 H2 H2O C3389 21.744 19.197 47.929 0.00 0.00 -ATOM 10168 O1 H2O C3390 46.133 11.021 29.714 0.00 0.00 -ATOM 10169 H1 H2O C3390 46.538 11.654 30.374 0.00 0.00 -ATOM 10170 H2 H2O C3390 45.159 10.912 29.911 0.00 0.00 -ATOM 10171 O1 H2O C3391 56.096 31.590 13.829 0.00 0.00 -ATOM 10172 H1 H2O C3391 56.027 31.283 12.879 0.00 0.00 -ATOM 10173 H2 H2O C3391 55.935 30.817 14.442 0.00 0.00 -ATOM 10174 O1 H2O C3392 3.824 55.082 48.045 0.00 0.00 -ATOM 10175 H1 H2O C3392 4.060 56.053 48.088 0.00 0.00 -ATOM 10176 H2 H2O C3392 4.660 54.540 47.954 0.00 0.00 -ATOM 10177 O1 H2O C3393 10.118 3.342 17.899 0.00 0.00 -ATOM 10178 H1 H2O C3393 9.263 3.695 18.279 0.00 0.00 -ATOM 10179 H2 H2O C3393 10.214 3.650 16.952 0.00 0.00 -ATOM 10180 O1 H2O C3394 40.947 57.235 36.417 0.00 0.00 -ATOM 10181 H1 H2O C3394 40.894 58.207 36.186 0.00 0.00 -ATOM 10182 H2 H2O C3394 40.593 57.093 37.341 0.00 0.00 -ATOM 10183 O1 H2O C3395 56.551 38.628 8.857 0.00 0.00 -ATOM 10184 H1 H2O C3395 56.663 37.716 9.252 0.00 0.00 -ATOM 10185 H2 H2O C3395 55.611 38.738 8.534 0.00 0.00 -ATOM 10186 O1 H2O C3396 35.736 22.854 44.073 0.00 0.00 -ATOM 10187 H1 H2O C3396 35.454 22.300 43.290 0.00 0.00 -ATOM 10188 H2 H2O C3396 34.989 22.900 44.736 0.00 0.00 -ATOM 10189 O1 H2O C3397 33.957 3.211 42.636 0.00 0.00 -ATOM 10190 H1 H2O C3397 33.880 3.056 43.621 0.00 0.00 -ATOM 10191 H2 H2O C3397 34.766 3.768 42.448 0.00 0.00 -ATOM 10192 O1 H2O C3398 57.830 14.342 34.615 0.00 0.00 -ATOM 10193 H1 H2O C3398 58.204 15.126 35.111 0.00 0.00 -ATOM 10194 H2 H2O C3398 58.539 13.644 34.512 0.00 0.00 -ATOM 10195 O1 H2O C3399 43.086 21.942 35.980 0.00 0.00 -ATOM 10196 H1 H2O C3399 42.157 21.573 36.037 0.00 0.00 -ATOM 10197 H2 H2O C3399 43.741 21.187 35.927 0.00 0.00 -ATOM 10198 O1 H2O C3400 18.503 39.619 59.894 0.00 0.00 -ATOM 10199 H1 H2O C3400 18.402 40.415 59.297 0.00 0.00 -ATOM 10200 H2 H2O C3400 19.423 39.240 59.793 0.00 0.00 -ATOM 10201 O1 H2O C3401 11.983 57.242 3.145 0.00 0.00 -ATOM 10202 H1 H2O C3401 12.025 56.243 3.122 0.00 0.00 -ATOM 10203 H2 H2O C3401 11.825 57.590 2.220 0.00 0.00 -ATOM 10204 O1 H2O C3402 32.365 43.704 2.660 0.00 0.00 -ATOM 10205 H1 H2O C3402 31.483 44.027 2.319 0.00 0.00 -ATOM 10206 H2 H2O C3402 33.095 44.031 2.059 0.00 0.00 -ATOM 10207 O1 H2O C3403 33.863 15.211 31.865 0.00 0.00 -ATOM 10208 H1 H2O C3403 33.718 15.521 32.804 0.00 0.00 -ATOM 10209 H2 H2O C3403 33.286 14.414 31.684 0.00 0.00 -ATOM 10210 O1 H2O C3404 46.755 19.299 57.373 0.00 0.00 -ATOM 10211 H1 H2O C3404 47.446 19.109 58.070 0.00 0.00 -ATOM 10212 H2 H2O C3404 45.909 18.816 57.601 0.00 0.00 -ATOM 10213 O1 H2O C3405 6.910 31.066 28.641 0.00 0.00 -ATOM 10214 H1 H2O C3405 7.584 30.845 29.346 0.00 0.00 -ATOM 10215 H2 H2O C3405 6.521 30.220 28.275 0.00 0.00 -ATOM 10216 O1 H2O C3406 37.379 4.317 26.111 0.00 0.00 -ATOM 10217 H1 H2O C3406 38.360 4.177 26.242 0.00 0.00 -ATOM 10218 H2 H2O C3406 37.111 3.982 25.208 0.00 0.00 -ATOM 10219 O1 H2O C3407 34.312 41.755 11.796 0.00 0.00 -ATOM 10220 H1 H2O C3407 34.296 42.755 11.798 0.00 0.00 -ATOM 10221 H2 H2O C3407 34.088 41.416 12.710 0.00 0.00 -ATOM 10222 O1 H2O C3408 54.110 28.356 53.738 0.00 0.00 -ATOM 10223 H1 H2O C3408 55.061 28.647 53.634 0.00 0.00 -ATOM 10224 H2 H2O C3408 53.579 28.663 52.949 0.00 0.00 -ATOM 10225 O1 H2O C3409 33.006 38.008 25.190 0.00 0.00 -ATOM 10226 H1 H2O C3409 32.728 37.234 24.621 0.00 0.00 -ATOM 10227 H2 H2O C3409 33.948 38.262 24.970 0.00 0.00 -ATOM 10228 O1 H2O C3410 7.540 51.971 34.769 0.00 0.00 -ATOM 10229 H1 H2O C3410 7.818 51.030 34.961 0.00 0.00 -ATOM 10230 H2 H2O C3410 7.356 52.071 33.791 0.00 0.00 -ATOM 10231 O1 H2O C3411 19.836 6.655 59.454 0.00 0.00 -ATOM 10232 H1 H2O C3411 19.246 7.366 59.071 0.00 0.00 -ATOM 10233 H2 H2O C3411 19.333 6.142 60.149 0.00 0.00 -ATOM 10234 O1 H2O C3412 4.698 23.467 54.744 0.00 0.00 -ATOM 10235 H1 H2O C3412 3.761 23.431 55.090 0.00 0.00 -ATOM 10236 H2 H2O C3412 4.800 22.821 53.988 0.00 0.00 -ATOM 10237 O1 H2O C3413 27.135 57.911 52.454 0.00 0.00 -ATOM 10238 H1 H2O C3413 28.009 57.989 52.935 0.00 0.00 -ATOM 10239 H2 H2O C3413 26.538 57.280 52.949 0.00 0.00 -ATOM 10240 O1 H2O C3414 34.120 48.153 35.441 0.00 0.00 -ATOM 10241 H1 H2O C3414 33.153 47.983 35.631 0.00 0.00 -ATOM 10242 H2 H2O C3414 34.569 47.292 35.200 0.00 0.00 -ATOM 10243 O1 H2O C3415 45.963 8.523 21.401 0.00 0.00 -ATOM 10244 H1 H2O C3415 45.398 9.328 21.586 0.00 0.00 -ATOM 10245 H2 H2O C3415 46.618 8.397 22.146 0.00 0.00 -ATOM 10246 O1 H2O C3416 49.078 10.856 39.143 0.00 0.00 -ATOM 10247 H1 H2O C3416 48.552 11.483 38.567 0.00 0.00 -ATOM 10248 H2 H2O C3416 48.457 10.200 39.573 0.00 0.00 -ATOM 10249 O1 H2O C3417 43.998 52.776 17.093 0.00 0.00 -ATOM 10250 H1 H2O C3417 43.192 52.218 17.292 0.00 0.00 -ATOM 10251 H2 H2O C3417 44.204 53.357 17.881 0.00 0.00 -ATOM 10252 O1 H2O C3418 28.323 12.075 23.326 0.00 0.00 -ATOM 10253 H1 H2O C3418 27.745 12.878 23.468 0.00 0.00 -ATOM 10254 H2 H2O C3418 27.759 11.250 23.351 0.00 0.00 -ATOM 10255 O1 H2O C3419 43.215 4.625 26.552 0.00 0.00 -ATOM 10256 H1 H2O C3419 43.765 5.223 27.134 0.00 0.00 -ATOM 10257 H2 H2O C3419 42.987 3.790 27.053 0.00 0.00 -ATOM 10258 O1 H2O C3420 45.625 17.578 9.785 0.00 0.00 -ATOM 10259 H1 H2O C3420 45.383 16.804 9.199 0.00 0.00 -ATOM 10260 H2 H2O C3420 46.475 17.992 9.456 0.00 0.00 -ATOM 10261 O1 H2O C3421 36.518 51.949 38.244 0.00 0.00 -ATOM 10262 H1 H2O C3421 37.102 52.722 38.494 0.00 0.00 -ATOM 10263 H2 H2O C3421 36.103 52.121 37.350 0.00 0.00 -ATOM 10264 O1 H2O C3422 6.158 39.859 49.013 0.00 0.00 -ATOM 10265 H1 H2O C3422 6.104 39.957 48.019 0.00 0.00 -ATOM 10266 H2 H2O C3422 6.571 40.681 49.406 0.00 0.00 -ATOM 10267 O1 H2O C3423 0.890 38.600 47.591 0.00 0.00 -ATOM 10268 H1 H2O C3423 0.709 39.123 48.424 0.00 0.00 -ATOM 10269 H2 H2O C3423 0.048 38.155 47.287 0.00 0.00 -ATOM 10270 O1 H2O C3424 1.821 48.038 56.235 0.00 0.00 -ATOM 10271 H1 H2O C3424 2.581 48.526 55.806 0.00 0.00 -ATOM 10272 H2 H2O C3424 1.041 48.021 55.610 0.00 0.00 -ATOM 10273 O1 H2O C3425 58.768 53.329 22.710 0.00 0.00 -ATOM 10274 H1 H2O C3425 59.723 53.537 22.495 0.00 0.00 -ATOM 10275 H2 H2O C3425 58.173 53.992 22.256 0.00 0.00 -ATOM 10276 O1 H2O C3426 37.807 24.221 30.447 0.00 0.00 -ATOM 10277 H1 H2O C3426 37.913 23.789 29.552 0.00 0.00 -ATOM 10278 H2 H2O C3426 38.072 23.575 31.163 0.00 0.00 -ATOM 10279 O1 H2O C3427 1.177 21.253 21.455 0.00 0.00 -ATOM 10280 H1 H2O C3427 2.024 20.727 21.392 0.00 0.00 -ATOM 10281 H2 H2O C3427 1.381 22.227 21.358 0.00 0.00 -ATOM 10282 O1 H2O C3428 49.816 47.214 1.524 0.00 0.00 -ATOM 10283 H1 H2O C3428 50.000 47.326 0.548 0.00 0.00 -ATOM 10284 H2 H2O C3428 49.568 48.098 1.921 0.00 0.00 -ATOM 10285 O1 H2O C3429 15.381 24.548 19.646 0.00 0.00 -ATOM 10286 H1 H2O C3429 14.417 24.650 19.401 0.00 0.00 -ATOM 10287 H2 H2O C3429 15.714 23.661 19.327 0.00 0.00 -ATOM 10288 O1 H2O C3430 58.223 40.310 58.462 0.00 0.00 -ATOM 10289 H1 H2O C3430 58.280 39.527 59.081 0.00 0.00 -ATOM 10290 H2 H2O C3430 59.039 40.338 57.884 0.00 0.00 -ATOM 10291 O1 H2O C3431 3.296 49.072 45.285 0.00 0.00 -ATOM 10292 H1 H2O C3431 3.791 48.217 45.134 0.00 0.00 -ATOM 10293 H2 H2O C3431 3.729 49.805 44.760 0.00 0.00 -ATOM 10294 O1 H2O C3432 57.337 6.116 33.632 0.00 0.00 -ATOM 10295 H1 H2O C3432 57.634 7.071 33.614 0.00 0.00 -ATOM 10296 H2 H2O C3432 57.904 5.580 33.006 0.00 0.00 -ATOM 10297 O1 H2O C3433 42.707 40.340 56.056 0.00 0.00 -ATOM 10298 H1 H2O C3433 42.419 40.178 57.000 0.00 0.00 -ATOM 10299 H2 H2O C3433 43.673 40.102 55.957 0.00 0.00 -ATOM 10300 O1 H2O C3434 24.632 31.905 54.451 0.00 0.00 -ATOM 10301 H1 H2O C3434 25.077 31.025 54.283 0.00 0.00 -ATOM 10302 H2 H2O C3434 24.569 32.063 55.437 0.00 0.00 -ATOM 10303 O1 H2O C3435 20.970 51.763 7.389 0.00 0.00 -ATOM 10304 H1 H2O C3435 21.948 51.914 7.537 0.00 0.00 -ATOM 10305 H2 H2O C3435 20.843 51.021 6.731 0.00 0.00 -ATOM 10306 O1 H2O C3436 8.721 34.325 8.540 0.00 0.00 -ATOM 10307 H1 H2O C3436 9.347 33.583 8.784 0.00 0.00 -ATOM 10308 H2 H2O C3436 8.873 35.103 9.151 0.00 0.00 -ATOM 10309 O1 H2O C3437 48.422 52.526 16.963 0.00 0.00 -ATOM 10310 H1 H2O C3437 49.069 52.401 17.715 0.00 0.00 -ATOM 10311 H2 H2O C3437 47.754 51.782 16.970 0.00 0.00 -ATOM 10312 O1 H2O C3438 54.229 45.193 17.451 0.00 0.00 -ATOM 10313 H1 H2O C3438 53.288 45.474 17.643 0.00 0.00 -ATOM 10314 H2 H2O C3438 54.635 44.802 18.277 0.00 0.00 -ATOM 10315 O1 H2O C3439 3.601 25.936 36.071 0.00 0.00 -ATOM 10316 H1 H2O C3439 3.335 25.975 37.034 0.00 0.00 -ATOM 10317 H2 H2O C3439 4.563 25.672 36.001 0.00 0.00 -ATOM 10318 O1 H2O C3440 25.792 39.870 33.308 0.00 0.00 -ATOM 10319 H1 H2O C3440 25.759 39.240 34.084 0.00 0.00 -ATOM 10320 H2 H2O C3440 24.871 39.996 32.941 0.00 0.00 -ATOM 10321 O1 H2O C3441 49.776 39.443 9.547 0.00 0.00 -ATOM 10322 H1 H2O C3441 50.440 39.776 8.877 0.00 0.00 -ATOM 10323 H2 H2O C3441 48.850 39.638 9.222 0.00 0.00 -ATOM 10324 O1 H2O C3442 29.236 54.153 19.305 0.00 0.00 -ATOM 10325 H1 H2O C3442 29.239 55.089 19.660 0.00 0.00 -ATOM 10326 H2 H2O C3442 28.921 53.528 20.019 0.00 0.00 -ATOM 10327 O1 H2O C3443 4.641 27.658 27.134 0.00 0.00 -ATOM 10328 H1 H2O C3443 4.724 28.005 26.200 0.00 0.00 -ATOM 10329 H2 H2O C3443 5.532 27.327 27.447 0.00 0.00 -ATOM 10330 O1 H2O C3444 46.210 23.225 45.667 0.00 0.00 -ATOM 10331 H1 H2O C3444 45.487 22.537 45.725 0.00 0.00 -ATOM 10332 H2 H2O C3444 46.680 23.291 46.548 0.00 0.00 -ATOM 10333 O1 H2O C3445 50.103 50.498 23.467 0.00 0.00 -ATOM 10334 H1 H2O C3445 49.758 50.917 22.627 0.00 0.00 -ATOM 10335 H2 H2O C3445 50.041 49.503 23.393 0.00 0.00 -ATOM 10336 O1 H2O C3446 33.861 28.430 53.816 0.00 0.00 -ATOM 10337 H1 H2O C3446 33.303 27.616 53.978 0.00 0.00 -ATOM 10338 H2 H2O C3446 33.460 28.967 53.074 0.00 0.00 -ATOM 10339 O1 H2O C3447 25.050 58.884 52.791 0.00 0.00 -ATOM 10340 H1 H2O C3447 24.063 59.041 52.770 0.00 0.00 -ATOM 10341 H2 H2O C3447 25.503 59.529 52.176 0.00 0.00 -ATOM 10342 O1 H2O C3448 36.974 37.672 11.588 0.00 0.00 -ATOM 10343 H1 H2O C3448 36.327 36.921 11.459 0.00 0.00 -ATOM 10344 H2 H2O C3448 36.496 38.461 11.975 0.00 0.00 -ATOM 10345 O1 H2O C3449 51.333 41.679 30.033 0.00 0.00 -ATOM 10346 H1 H2O C3449 52.199 41.249 29.778 0.00 0.00 -ATOM 10347 H2 H2O C3449 51.480 42.284 30.816 0.00 0.00 -ATOM 10348 O1 H2O C3450 8.536 44.848 12.032 0.00 0.00 -ATOM 10349 H1 H2O C3450 9.096 44.053 11.798 0.00 0.00 -ATOM 10350 H2 H2O C3450 7.735 44.550 12.551 0.00 0.00 -ATOM 10351 O1 H2O C3451 1.596 26.071 8.053 0.00 0.00 -ATOM 10352 H1 H2O C3451 2.543 25.995 8.363 0.00 0.00 -ATOM 10353 H2 H2O C3451 1.195 25.157 7.980 0.00 0.00 -ATOM 10354 O1 H2O C3452 59.994 29.637 38.593 0.00 0.00 -ATOM 10355 H1 H2O C3452 60.450 29.843 39.459 0.00 0.00 -ATOM 10356 H2 H2O C3452 59.028 29.888 38.657 0.00 0.00 -ATOM 10357 O1 H2O C3453 40.964 13.885 58.774 0.00 0.00 -ATOM 10358 H1 H2O C3453 40.353 14.596 58.426 0.00 0.00 -ATOM 10359 H2 H2O C3453 41.853 13.959 58.321 0.00 0.00 -ATOM 10360 O1 H2O C3454 7.831 7.096 1.190 0.00 0.00 -ATOM 10361 H1 H2O C3454 8.196 7.206 0.265 0.00 0.00 -ATOM 10362 H2 H2O C3454 7.855 7.975 1.665 0.00 0.00 -ATOM 10363 O1 H2O C3455 48.019 50.497 44.731 0.00 0.00 -ATOM 10364 H1 H2O C3455 48.920 50.656 44.327 0.00 0.00 -ATOM 10365 H2 H2O C3455 47.976 49.566 45.094 0.00 0.00 -ATOM 10366 O1 H2O C3456 47.854 36.984 17.551 0.00 0.00 -ATOM 10367 H1 H2O C3456 47.621 37.175 18.505 0.00 0.00 -ATOM 10368 H2 H2O C3456 47.432 37.672 16.960 0.00 0.00 -ATOM 10369 O1 H2O C3457 43.990 0.765 4.158 0.00 0.00 -ATOM 10370 H1 H2O C3457 43.106 0.881 4.612 0.00 0.00 -ATOM 10371 H2 H2O C3457 43.944 -0.017 3.535 0.00 0.00 -ATOM 10372 O1 H2O C3458 37.736 41.376 31.150 0.00 0.00 -ATOM 10373 H1 H2O C3458 38.292 41.095 31.932 0.00 0.00 -ATOM 10374 H2 H2O C3458 38.189 42.127 30.670 0.00 0.00 -ATOM 10375 O1 H2O C3459 22.838 35.910 40.042 0.00 0.00 -ATOM 10376 H1 H2O C3459 23.807 35.951 39.798 0.00 0.00 -ATOM 10377 H2 H2O C3459 22.561 34.955 40.149 0.00 0.00 -ATOM 10378 O1 H2O C3460 44.702 21.278 25.593 0.00 0.00 -ATOM 10379 H1 H2O C3460 45.307 21.773 24.970 0.00 0.00 -ATOM 10380 H2 H2O C3460 45.213 21.006 26.408 0.00 0.00 -ATOM 10381 O1 H2O C3461 16.423 57.866 34.101 0.00 0.00 -ATOM 10382 H1 H2O C3461 16.894 57.573 33.269 0.00 0.00 -ATOM 10383 H2 H2O C3461 15.444 57.683 34.011 0.00 0.00 -ATOM 10384 O1 H2O C3462 25.316 7.493 0.812 0.00 0.00 -ATOM 10385 H1 H2O C3462 25.260 6.990 1.674 0.00 0.00 -ATOM 10386 H2 H2O C3462 24.605 8.196 0.789 0.00 0.00 -ATOM 10387 O1 H2O C3463 8.589 57.369 2.299 0.00 0.00 -ATOM 10388 H1 H2O C3463 8.197 58.214 2.662 0.00 0.00 -ATOM 10389 H2 H2O C3463 9.303 57.591 1.635 0.00 0.00 -ATOM 10390 O1 H2O C3464 54.204 20.380 16.447 0.00 0.00 -ATOM 10391 H1 H2O C3464 54.466 21.317 16.681 0.00 0.00 -ATOM 10392 H2 H2O C3464 53.406 20.113 16.990 0.00 0.00 -ATOM 10393 O1 H2O C3465 16.401 6.332 54.372 0.00 0.00 -ATOM 10394 H1 H2O C3465 16.991 6.776 53.698 0.00 0.00 -ATOM 10395 H2 H2O C3465 16.963 5.926 55.092 0.00 0.00 -ATOM 10396 O1 H2O C3466 58.202 19.384 35.929 0.00 0.00 -ATOM 10397 H1 H2O C3466 57.481 19.313 36.619 0.00 0.00 -ATOM 10398 H2 H2O C3466 58.493 18.467 35.656 0.00 0.00 -ATOM 10399 O1 H2O C3467 34.578 0.372 35.248 0.00 0.00 -ATOM 10400 H1 H2O C3467 33.890 0.668 34.587 0.00 0.00 -ATOM 10401 H2 H2O C3467 34.729 -0.612 35.154 0.00 0.00 -ATOM 10402 O1 H2O C3468 30.000 28.959 21.029 0.00 0.00 -ATOM 10403 H1 H2O C3468 30.739 29.632 21.006 0.00 0.00 -ATOM 10404 H2 H2O C3468 29.123 29.429 21.124 0.00 0.00 -ATOM 10405 O1 H2O C3469 14.087 59.200 30.205 0.00 0.00 -ATOM 10406 H1 H2O C3469 14.974 58.869 29.882 0.00 0.00 -ATOM 10407 H2 H2O C3469 14.218 60.033 30.743 0.00 0.00 -ATOM 10408 O1 H2O C3470 16.212 16.271 32.786 0.00 0.00 -ATOM 10409 H1 H2O C3470 16.951 16.857 33.118 0.00 0.00 -ATOM 10410 H2 H2O C3470 15.387 16.437 33.327 0.00 0.00 -ATOM 10411 O1 H2O C3471 44.620 46.468 33.890 0.00 0.00 -ATOM 10412 H1 H2O C3471 45.167 45.631 33.921 0.00 0.00 -ATOM 10413 H2 H2O C3471 45.223 47.255 33.760 0.00 0.00 -ATOM 10414 O1 H2O C3472 36.137 51.616 0.425 0.00 0.00 -ATOM 10415 H1 H2O C3472 35.801 50.797 -0.041 0.00 0.00 -ATOM 10416 H2 H2O C3472 35.549 51.820 1.208 0.00 0.00 -ATOM 10417 O1 H2O C3473 10.180 11.554 25.448 0.00 0.00 -ATOM 10418 H1 H2O C3473 10.973 12.066 25.777 0.00 0.00 -ATOM 10419 H2 H2O C3473 10.050 10.741 26.014 0.00 0.00 -ATOM 10420 O1 H2O C3474 13.222 18.654 45.551 0.00 0.00 -ATOM 10421 H1 H2O C3474 13.937 17.970 45.407 0.00 0.00 -ATOM 10422 H2 H2O C3474 12.532 18.289 46.177 0.00 0.00 -ATOM 10423 O1 H2O C3475 38.049 9.251 5.714 0.00 0.00 -ATOM 10424 H1 H2O C3475 37.685 10.015 6.247 0.00 0.00 -ATOM 10425 H2 H2O C3475 37.297 8.654 5.431 0.00 0.00 -ATOM 10426 O1 H2O C3476 5.352 7.557 27.771 0.00 0.00 -ATOM 10427 H1 H2O C3476 4.420 7.562 28.133 0.00 0.00 -ATOM 10428 H2 H2O C3476 5.469 8.322 27.138 0.00 0.00 -ATOM 10429 O1 H2O C3477 54.678 38.147 13.509 0.00 0.00 -ATOM 10430 H1 H2O C3477 54.741 39.142 13.585 0.00 0.00 -ATOM 10431 H2 H2O C3477 53.864 37.826 13.992 0.00 0.00 -ATOM 10432 O1 H2O C3478 34.264 41.208 18.467 0.00 0.00 -ATOM 10433 H1 H2O C3478 35.164 41.640 18.514 0.00 0.00 -ATOM 10434 H2 H2O C3478 34.168 40.730 17.593 0.00 0.00 -ATOM 10435 O1 H2O C3479 10.386 0.150 56.169 0.00 0.00 -ATOM 10436 H1 H2O C3479 9.459 0.000 55.823 0.00 0.00 -ATOM 10437 H2 H2O C3479 11.045 -0.002 55.431 0.00 0.00 -ATOM 10438 O1 H2O C3480 52.084 5.295 12.024 0.00 0.00 -ATOM 10439 H1 H2O C3480 51.785 5.845 12.803 0.00 0.00 -ATOM 10440 H2 H2O C3480 52.603 5.869 11.390 0.00 0.00 -ATOM 10441 O1 H2O C3481 51.953 39.997 32.350 0.00 0.00 -ATOM 10442 H1 H2O C3481 52.713 40.236 32.954 0.00 0.00 -ATOM 10443 H2 H2O C3481 52.068 40.459 31.471 0.00 0.00 -ATOM 10444 O1 H2O C3482 47.196 36.270 54.350 0.00 0.00 -ATOM 10445 H1 H2O C3482 46.816 35.346 54.400 0.00 0.00 -ATOM 10446 H2 H2O C3482 47.135 36.605 53.409 0.00 0.00 -ATOM 10447 O1 H2O C3483 35.556 3.400 18.279 0.00 0.00 -ATOM 10448 H1 H2O C3483 34.703 3.070 18.684 0.00 0.00 -ATOM 10449 H2 H2O C3483 35.387 4.264 17.805 0.00 0.00 -ATOM 10450 O1 H2O C3484 21.413 38.946 53.275 0.00 0.00 -ATOM 10451 H1 H2O C3484 21.322 39.898 53.565 0.00 0.00 -ATOM 10452 H2 H2O C3484 21.370 38.896 52.277 0.00 0.00 -ATOM 10453 O1 H2O C3485 42.197 2.856 12.164 0.00 0.00 -ATOM 10454 H1 H2O C3485 41.928 1.912 12.355 0.00 0.00 -ATOM 10455 H2 H2O C3485 41.551 3.263 11.518 0.00 0.00 -ATOM 10456 O1 H2O C3486 24.234 6.679 38.795 0.00 0.00 -ATOM 10457 H1 H2O C3486 25.074 7.220 38.832 0.00 0.00 -ATOM 10458 H2 H2O C3486 23.748 6.758 39.666 0.00 0.00 -ATOM 10459 O1 H2O C3487 18.893 57.265 51.918 0.00 0.00 -ATOM 10460 H1 H2O C3487 19.066 57.476 50.956 0.00 0.00 -ATOM 10461 H2 H2O C3487 19.764 57.174 52.401 0.00 0.00 -ATOM 10462 O1 H2O C3488 55.276 40.699 45.782 0.00 0.00 -ATOM 10463 H1 H2O C3488 55.964 40.099 45.373 0.00 0.00 -ATOM 10464 H2 H2O C3488 55.560 40.951 46.707 0.00 0.00 -ATOM 10465 O1 H2O C3489 14.531 24.050 18.774 0.00 0.00 -ATOM 10466 H1 H2O C3489 14.921 24.741 18.165 0.00 0.00 -ATOM 10467 H2 H2O C3489 14.266 24.478 19.638 0.00 0.00 -ATOM 10468 O1 H2O C3490 47.970 35.841 41.166 0.00 0.00 -ATOM 10469 H1 H2O C3490 48.626 36.564 41.383 0.00 0.00 -ATOM 10470 H2 H2O C3490 48.357 34.954 41.415 0.00 0.00 -ATOM 10471 O1 H2O C3491 21.371 57.247 17.326 0.00 0.00 -ATOM 10472 H1 H2O C3491 21.478 58.234 17.206 0.00 0.00 -ATOM 10473 H2 H2O C3491 20.764 57.070 18.101 0.00 0.00 -ATOM 10474 O1 H2O C3492 0.199 42.488 9.151 0.00 0.00 -ATOM 10475 H1 H2O C3492 -0.373 42.839 8.409 0.00 0.00 -ATOM 10476 H2 H2O C3492 1.126 42.332 8.811 0.00 0.00 -ATOM 10477 O1 H2O C3493 21.719 13.637 33.154 0.00 0.00 -ATOM 10478 H1 H2O C3493 21.613 12.961 33.884 0.00 0.00 -ATOM 10479 H2 H2O C3493 22.633 13.557 32.757 0.00 0.00 -ATOM 10480 O1 H2O C3494 43.525 30.691 0.630 0.00 0.00 -ATOM 10481 H1 H2O C3494 43.981 31.006 -0.202 0.00 0.00 -ATOM 10482 H2 H2O C3494 43.911 29.812 0.910 0.00 0.00 -ATOM 10483 O1 H2O C3495 42.469 12.283 16.374 0.00 0.00 -ATOM 10484 H1 H2O C3495 42.936 11.456 16.689 0.00 0.00 -ATOM 10485 H2 H2O C3495 43.134 12.903 15.957 0.00 0.00 -ATOM 10486 O1 H2O C3496 0.850 32.774 59.624 0.00 0.00 -ATOM 10487 H1 H2O C3496 1.662 32.967 60.175 0.00 0.00 -ATOM 10488 H2 H2O C3496 0.564 33.606 59.149 0.00 0.00 -ATOM 10489 O1 H2O C3497 58.232 59.953 34.502 0.00 0.00 -ATOM 10490 H1 H2O C3497 58.406 59.571 33.594 0.00 0.00 -ATOM 10491 H2 H2O C3497 59.091 60.001 35.013 0.00 0.00 -ATOM 10492 O1 H2O C3498 31.395 5.282 22.459 0.00 0.00 -ATOM 10493 H1 H2O C3498 32.220 4.737 22.313 0.00 0.00 -ATOM 10494 H2 H2O C3498 30.848 5.290 21.622 0.00 0.00 -ATOM 10495 O1 H2O C3499 48.486 52.218 34.503 0.00 0.00 -ATOM 10496 H1 H2O C3499 49.199 52.554 35.118 0.00 0.00 -ATOM 10497 H2 H2O C3499 47.589 52.373 34.916 0.00 0.00 -ATOM 10498 O1 H2O C3500 12.562 25.329 1.683 0.00 0.00 -ATOM 10499 H1 H2O C3500 12.341 26.188 1.222 0.00 0.00 -ATOM 10500 H2 H2O C3500 11.941 24.612 1.367 0.00 0.00 -ATOM 10501 O1 H2O C3501 22.563 21.432 44.531 0.00 0.00 -ATOM 10502 H1 H2O C3501 22.862 20.811 43.804 0.00 0.00 -ATOM 10503 H2 H2O C3501 22.940 21.125 45.405 0.00 0.00 -ATOM 10504 O1 H2O C3502 51.141 8.763 4.444 0.00 0.00 -ATOM 10505 H1 H2O C3502 50.439 9.078 3.805 0.00 0.00 -ATOM 10506 H2 H2O C3502 51.417 9.521 5.036 0.00 0.00 -ATOM 10507 O1 H2O C3503 30.747 16.528 17.442 0.00 0.00 -ATOM 10508 H1 H2O C3503 30.940 16.221 18.374 0.00 0.00 -ATOM 10509 H2 H2O C3503 30.634 15.733 16.845 0.00 0.00 -ATOM 10510 O1 H2O C3504 38.655 30.939 48.540 0.00 0.00 -ATOM 10511 H1 H2O C3504 37.742 30.544 48.641 0.00 0.00 -ATOM 10512 H2 H2O C3504 39.282 30.497 49.181 0.00 0.00 -ATOM 10513 O1 H2O C3505 58.069 30.979 7.499 0.00 0.00 -ATOM 10514 H1 H2O C3505 58.280 30.015 7.335 0.00 0.00 -ATOM 10515 H2 H2O C3505 58.915 31.479 7.685 0.00 0.00 -ATOM 10516 O1 H2O C3506 30.854 46.575 42.329 0.00 0.00 -ATOM 10517 H1 H2O C3506 30.045 47.163 42.343 0.00 0.00 -ATOM 10518 H2 H2O C3506 31.521 46.941 41.680 0.00 0.00 -ATOM 10519 O1 H2O C3507 14.390 58.303 0.153 0.00 0.00 -ATOM 10520 H1 H2O C3507 15.315 57.961 0.318 0.00 0.00 -ATOM 10521 H2 H2O C3507 13.799 58.046 0.917 0.00 0.00 -ATOM 10522 O1 H2O C3508 21.151 21.133 4.928 0.00 0.00 -ATOM 10523 H1 H2O C3508 22.062 20.733 4.824 0.00 0.00 -ATOM 10524 H2 H2O C3508 20.924 21.196 5.899 0.00 0.00 -ATOM 10525 O1 H2O C3509 49.093 53.217 34.835 0.00 0.00 -ATOM 10526 H1 H2O C3509 49.052 52.255 35.106 0.00 0.00 -ATOM 10527 H2 H2O C3509 48.201 53.644 34.986 0.00 0.00 -ATOM 10528 O1 H2O C3510 9.269 6.139 26.319 0.00 0.00 -ATOM 10529 H1 H2O C3510 9.353 5.154 26.467 0.00 0.00 -ATOM 10530 H2 H2O C3510 10.001 6.449 25.713 0.00 0.00 -ATOM 10531 O1 H2O C3511 45.666 15.520 10.561 0.00 0.00 -ATOM 10532 H1 H2O C3511 44.792 15.592 11.042 0.00 0.00 -ATOM 10533 H2 H2O C3511 45.637 16.078 9.732 0.00 0.00 -ATOM 10534 O1 H2O C3512 20.587 19.902 6.866 0.00 0.00 -ATOM 10535 H1 H2O C3512 19.920 19.314 7.325 0.00 0.00 -ATOM 10536 H2 H2O C3512 21.284 19.335 6.427 0.00 0.00 -ATOM 10537 O1 H2O C3513 50.055 16.686 0.918 0.00 0.00 -ATOM 10538 H1 H2O C3513 50.146 15.702 0.766 0.00 0.00 -ATOM 10539 H2 H2O C3513 49.220 17.016 0.476 0.00 0.00 -ATOM 10540 O1 H2O C3514 55.756 20.963 51.196 0.00 0.00 -ATOM 10541 H1 H2O C3514 55.945 21.943 51.254 0.00 0.00 -ATOM 10542 H2 H2O C3514 56.616 20.463 51.096 0.00 0.00 -ATOM 10543 O1 H2O C3515 19.069 4.414 36.884 0.00 0.00 -ATOM 10544 H1 H2O C3515 18.777 4.205 35.951 0.00 0.00 -ATOM 10545 H2 H2O C3515 19.775 5.123 36.862 0.00 0.00 -ATOM 10546 O1 H2O C3516 33.966 56.749 11.444 0.00 0.00 -ATOM 10547 H1 H2O C3516 33.946 55.750 11.412 0.00 0.00 -ATOM 10548 H2 H2O C3516 34.852 57.054 11.793 0.00 0.00 -ATOM 10549 O1 H2O C3517 30.650 48.573 31.266 0.00 0.00 -ATOM 10550 H1 H2O C3517 30.567 48.700 32.254 0.00 0.00 -ATOM 10551 H2 H2O C3517 31.535 48.923 30.958 0.00 0.00 -ATOM 10552 O1 H2O C3518 47.853 13.183 3.589 0.00 0.00 -ATOM 10553 H1 H2O C3518 47.878 13.778 2.786 0.00 0.00 -ATOM 10554 H2 H2O C3518 48.597 13.429 4.211 0.00 0.00 -ATOM 10555 O1 H2O C3519 15.832 0.710 44.571 0.00 0.00 -ATOM 10556 H1 H2O C3519 16.376 1.495 44.275 0.00 0.00 -ATOM 10557 H2 H2O C3519 15.245 0.981 45.335 0.00 0.00 -ATOM 10558 O1 H2O C3520 35.915 6.835 27.207 0.00 0.00 -ATOM 10559 H1 H2O C3520 36.620 7.543 27.159 0.00 0.00 -ATOM 10560 H2 H2O C3520 36.227 6.019 26.721 0.00 0.00 -ATOM 10561 O1 H2O C3521 1.883 1.321 13.708 0.00 0.00 -ATOM 10562 H1 H2O C3521 1.737 0.333 13.772 0.00 0.00 -ATOM 10563 H2 H2O C3521 2.365 1.639 14.524 0.00 0.00 -ATOM 10564 O1 H2O C3522 40.439 43.034 56.138 0.00 0.00 -ATOM 10565 H1 H2O C3522 39.677 43.298 56.728 0.00 0.00 -ATOM 10566 H2 H2O C3522 40.092 42.813 55.226 0.00 0.00 -ATOM 10567 O1 H2O C3523 40.999 45.843 12.992 0.00 0.00 -ATOM 10568 H1 H2O C3523 40.041 45.923 13.269 0.00 0.00 -ATOM 10569 H2 H2O C3523 41.297 46.700 12.572 0.00 0.00 -ATOM 10570 O1 H2O C3524 31.945 52.960 22.507 0.00 0.00 -ATOM 10571 H1 H2O C3524 31.582 52.039 22.649 0.00 0.00 -ATOM 10572 H2 H2O C3524 31.187 53.599 22.376 0.00 0.00 -ATOM 10573 O1 H2O C3525 40.176 10.763 35.889 0.00 0.00 -ATOM 10574 H1 H2O C3525 40.377 11.588 36.417 0.00 0.00 -ATOM 10575 H2 H2O C3525 39.658 11.009 35.070 0.00 0.00 -ATOM 10576 O1 H2O C3526 15.677 24.056 30.325 0.00 0.00 -ATOM 10577 H1 H2O C3526 16.310 23.529 30.891 0.00 0.00 -ATOM 10578 H2 H2O C3526 15.184 24.712 30.897 0.00 0.00 -ATOM 10579 O1 H2O C3527 55.184 21.080 36.587 0.00 0.00 -ATOM 10580 H1 H2O C3527 55.357 20.700 37.496 0.00 0.00 -ATOM 10581 H2 H2O C3527 54.261 20.832 36.293 0.00 0.00 -ATOM 10582 O1 H2O C3528 15.647 59.845 6.891 0.00 0.00 -ATOM 10583 H1 H2O C3528 16.489 60.099 7.367 0.00 0.00 -ATOM 10584 H2 H2O C3528 15.278 59.006 7.290 0.00 0.00 -ATOM 10585 O1 H2O C3529 0.566 2.334 34.111 0.00 0.00 -ATOM 10586 H1 H2O C3529 -0.294 1.951 33.773 0.00 0.00 -ATOM 10587 H2 H2O C3529 1.297 2.145 33.456 0.00 0.00 -ATOM 10588 O1 H2O C3530 41.016 11.728 5.684 0.00 0.00 -ATOM 10589 H1 H2O C3530 41.504 11.051 5.133 0.00 0.00 -ATOM 10590 H2 H2O C3530 41.155 12.638 5.294 0.00 0.00 -ATOM 10591 O1 H2O C3531 9.241 2.296 27.377 0.00 0.00 -ATOM 10592 H1 H2O C3531 8.246 2.198 27.387 0.00 0.00 -ATOM 10593 H2 H2O C3531 9.640 1.582 26.801 0.00 0.00 -ATOM 10594 O1 H2O C3532 36.565 56.510 9.914 0.00 0.00 -ATOM 10595 H1 H2O C3532 37.165 55.791 9.563 0.00 0.00 -ATOM 10596 H2 H2O C3532 36.133 56.200 10.761 0.00 0.00 -ATOM 10597 O1 H2O C3533 17.325 8.654 1.811 0.00 0.00 -ATOM 10598 H1 H2O C3533 17.741 9.364 2.379 0.00 0.00 -ATOM 10599 H2 H2O C3533 17.953 7.881 1.730 0.00 0.00 -ATOM 10600 O1 H2O C3534 16.928 22.706 19.585 0.00 0.00 -ATOM 10601 H1 H2O C3534 17.658 22.956 18.949 0.00 0.00 -ATOM 10602 H2 H2O C3534 16.724 21.731 19.492 0.00 0.00 -ATOM 10603 O1 H2O C3535 5.153 48.803 0.026 0.00 0.00 -ATOM 10604 H1 H2O C3535 5.742 48.001 -0.073 0.00 0.00 -ATOM 10605 H2 H2O C3535 4.296 48.536 0.467 0.00 0.00 -ATOM 10606 O1 H2O C3536 18.582 10.161 58.396 0.00 0.00 -ATOM 10607 H1 H2O C3536 18.949 9.811 57.534 0.00 0.00 -ATOM 10608 H2 H2O C3536 18.553 11.160 58.365 0.00 0.00 -ATOM 10609 O1 H2O C3537 52.503 18.939 9.925 0.00 0.00 -ATOM 10610 H1 H2O C3537 52.267 18.833 8.959 0.00 0.00 -ATOM 10611 H2 H2O C3537 53.144 19.700 10.029 0.00 0.00 -ATOM 10612 O1 H2O C3538 4.691 55.165 14.790 0.00 0.00 -ATOM 10613 H1 H2O C3538 4.052 54.958 14.049 0.00 0.00 -ATOM 10614 H2 H2O C3538 5.357 54.423 14.871 0.00 0.00 -ATOM 10615 O1 H2O C3539 35.518 8.525 21.423 0.00 0.00 -ATOM 10616 H1 H2O C3539 35.948 8.803 22.282 0.00 0.00 -ATOM 10617 H2 H2O C3539 35.835 7.610 21.173 0.00 0.00 -ATOM 10618 O1 H2O C3540 52.131 45.071 4.218 0.00 0.00 -ATOM 10619 H1 H2O C3540 52.711 44.302 4.487 0.00 0.00 -ATOM 10620 H2 H2O C3540 52.222 45.227 3.233 0.00 0.00 -ATOM 10621 O1 H2O C3541 51.296 22.330 4.475 0.00 0.00 -ATOM 10622 H1 H2O C3541 52.163 22.364 4.973 0.00 0.00 -ATOM 10623 H2 H2O C3541 50.965 23.260 4.318 0.00 0.00 -ATOM 10624 O1 H2O C3542 11.478 13.663 7.949 0.00 0.00 -ATOM 10625 H1 H2O C3542 11.505 14.485 8.517 0.00 0.00 -ATOM 10626 H2 H2O C3542 10.774 13.042 8.294 0.00 0.00 -ATOM 10627 O1 H2O C3543 39.706 40.946 16.177 0.00 0.00 -ATOM 10628 H1 H2O C3543 39.534 41.433 15.321 0.00 0.00 -ATOM 10629 H2 H2O C3543 40.493 41.353 16.640 0.00 0.00 -ATOM 10630 O1 H2O C3544 10.731 18.682 6.148 0.00 0.00 -ATOM 10631 H1 H2O C3544 10.987 18.705 5.182 0.00 0.00 -ATOM 10632 H2 H2O C3544 10.057 19.398 6.332 0.00 0.00 -ATOM 10633 O1 H2O C3545 15.118 12.914 44.266 0.00 0.00 -ATOM 10634 H1 H2O C3545 15.314 12.328 45.053 0.00 0.00 -ATOM 10635 H2 H2O C3545 14.143 13.134 44.249 0.00 0.00 -ATOM 10636 O1 H2O C3546 45.731 59.577 35.204 0.00 0.00 -ATOM 10637 H1 H2O C3546 45.158 59.584 34.385 0.00 0.00 -ATOM 10638 H2 H2O C3546 46.669 59.337 34.953 0.00 0.00 -ATOM 10639 O1 H2O C3547 34.469 21.734 27.516 0.00 0.00 -ATOM 10640 H1 H2O C3547 33.813 22.361 27.936 0.00 0.00 -ATOM 10641 H2 H2O C3547 34.081 20.813 27.490 0.00 0.00 -ATOM 10642 O1 H2O C3548 14.718 12.812 11.191 0.00 0.00 -ATOM 10643 H1 H2O C3548 15.358 13.258 11.816 0.00 0.00 -ATOM 10644 H2 H2O C3548 13.874 12.590 11.680 0.00 0.00 -ATOM 10645 O1 H2O C3549 50.210 27.541 46.478 0.00 0.00 -ATOM 10646 H1 H2O C3549 50.393 28.495 46.243 0.00 0.00 -ATOM 10647 H2 H2O C3549 49.512 27.174 45.861 0.00 0.00 -ATOM 10648 O1 H2O C3550 40.716 32.211 4.798 0.00 0.00 -ATOM 10649 H1 H2O C3550 40.876 32.818 4.019 0.00 0.00 -ATOM 10650 H2 H2O C3550 40.096 31.476 4.524 0.00 0.00 -ATOM 10651 O1 H2O C3551 40.267 6.730 29.272 0.00 0.00 -ATOM 10652 H1 H2O C3551 40.169 7.142 28.366 0.00 0.00 -ATOM 10653 H2 H2O C3551 40.917 5.972 29.225 0.00 0.00 -ATOM 10654 O1 H2O C3552 25.248 36.020 20.761 0.00 0.00 -ATOM 10655 H1 H2O C3552 25.108 35.272 21.410 0.00 0.00 -ATOM 10656 H2 H2O C3552 25.607 36.818 21.244 0.00 0.00 -ATOM 10657 O1 H2O C3553 49.621 54.925 28.174 0.00 0.00 -ATOM 10658 H1 H2O C3553 49.759 55.147 29.139 0.00 0.00 -ATOM 10659 H2 H2O C3553 49.044 54.111 28.098 0.00 0.00 -ATOM 10660 O1 H2O C3554 5.017 39.433 31.876 0.00 0.00 -ATOM 10661 H1 H2O C3554 4.792 40.180 32.503 0.00 0.00 -ATOM 10662 H2 H2O C3554 4.230 39.245 31.288 0.00 0.00 -ATOM 10663 O1 H2O C3555 6.926 46.837 58.882 0.00 0.00 -ATOM 10664 H1 H2O C3555 7.240 46.040 58.366 0.00 0.00 -ATOM 10665 H2 H2O C3555 6.680 47.570 58.247 0.00 0.00 -ATOM 10666 O1 H2O C3556 28.276 5.965 32.293 0.00 0.00 -ATOM 10667 H1 H2O C3556 28.318 5.257 32.998 0.00 0.00 -ATOM 10668 H2 H2O C3556 27.724 6.731 32.622 0.00 0.00 -ATOM 10669 O1 H2O C3557 52.203 1.737 51.275 0.00 0.00 -ATOM 10670 H1 H2O C3557 53.130 1.670 51.645 0.00 0.00 -ATOM 10671 H2 H2O C3557 51.691 2.431 51.782 0.00 0.00 -ATOM 10672 O1 H2O C3558 29.950 47.815 39.925 0.00 0.00 -ATOM 10673 H1 H2O C3558 29.721 47.565 40.866 0.00 0.00 -ATOM 10674 H2 H2O C3558 30.039 48.809 39.856 0.00 0.00 -ATOM 10675 O1 H2O C3559 13.179 57.480 46.606 0.00 0.00 -ATOM 10676 H1 H2O C3559 12.615 56.663 46.732 0.00 0.00 -ATOM 10677 H2 H2O C3559 14.059 57.218 46.209 0.00 0.00 -ATOM 10678 O1 H2O C3560 16.946 48.932 38.516 0.00 0.00 -ATOM 10679 H1 H2O C3560 15.969 48.810 38.689 0.00 0.00 -ATOM 10680 H2 H2O C3560 17.362 49.421 39.282 0.00 0.00 -ATOM 10681 O1 H2O C3561 47.739 14.500 55.687 0.00 0.00 -ATOM 10682 H1 H2O C3561 48.666 14.515 56.061 0.00 0.00 -ATOM 10683 H2 H2O C3561 47.583 15.327 55.147 0.00 0.00 -ATOM 10684 O1 H2O C3562 11.012 47.303 34.543 0.00 0.00 -ATOM 10685 H1 H2O C3562 10.411 46.684 34.037 0.00 0.00 -ATOM 10686 H2 H2O C3562 11.436 47.949 33.909 0.00 0.00 -ATOM 10687 O1 H2O C3563 49.763 36.673 56.318 0.00 0.00 -ATOM 10688 H1 H2O C3563 49.968 36.139 55.498 0.00 0.00 -ATOM 10689 H2 H2O C3563 49.741 36.068 57.114 0.00 0.00 -ATOM 10690 O1 H2O C3564 55.141 30.961 23.803 0.00 0.00 -ATOM 10691 H1 H2O C3564 55.831 30.247 23.691 0.00 0.00 -ATOM 10692 H2 H2O C3564 55.170 31.581 23.019 0.00 0.00 -ATOM 10693 O1 H2O C3565 22.185 5.960 48.505 0.00 0.00 -ATOM 10694 H1 H2O C3565 21.804 6.287 49.371 0.00 0.00 -ATOM 10695 H2 H2O C3565 22.627 5.073 48.651 0.00 0.00 -ATOM 10696 O1 H2O C3566 15.638 33.952 5.218 0.00 0.00 -ATOM 10697 H1 H2O C3566 14.927 34.622 5.006 0.00 0.00 -ATOM 10698 H2 H2O C3566 15.645 33.240 4.516 0.00 0.00 -ATOM 10699 O1 H2O C3567 46.434 28.536 40.334 0.00 0.00 -ATOM 10700 H1 H2O C3567 46.190 29.383 39.862 0.00 0.00 -ATOM 10701 H2 H2O C3567 46.762 27.866 39.668 0.00 0.00 -ATOM 10702 O1 H2O C3568 1.032 40.259 37.427 0.00 0.00 -ATOM 10703 H1 H2O C3568 0.691 40.919 38.096 0.00 0.00 -ATOM 10704 H2 H2O C3568 0.619 39.365 37.600 0.00 0.00 -ATOM 10705 O1 H2O C3569 3.379 58.354 2.593 0.00 0.00 -ATOM 10706 H1 H2O C3569 3.083 57.706 3.294 0.00 0.00 -ATOM 10707 H2 H2O C3569 2.891 58.168 1.740 0.00 0.00 -ATOM 10708 O1 H2O C3570 14.590 30.720 44.069 0.00 0.00 -ATOM 10709 H1 H2O C3570 14.288 29.779 44.221 0.00 0.00 -ATOM 10710 H2 H2O C3570 15.446 30.716 43.551 0.00 0.00 -ATOM 10711 O1 H2O C3571 47.928 49.596 34.767 0.00 0.00 -ATOM 10712 H1 H2O C3571 48.381 50.428 35.091 0.00 0.00 -ATOM 10713 H2 H2O C3571 48.311 48.803 35.241 0.00 0.00 -ATOM 10714 O1 H2O C3572 3.930 24.666 32.689 0.00 0.00 -ATOM 10715 H1 H2O C3572 4.263 25.433 33.237 0.00 0.00 -ATOM 10716 H2 H2O C3572 4.692 24.262 32.184 0.00 0.00 -ATOM 10717 O1 H2O C3573 37.699 26.464 50.652 0.00 0.00 -ATOM 10718 H1 H2O C3573 38.087 27.040 49.932 0.00 0.00 -ATOM 10719 H2 H2O C3573 38.137 26.683 51.525 0.00 0.00 -ATOM 10720 O1 H2O C3574 8.035 15.885 31.289 0.00 0.00 -ATOM 10721 H1 H2O C3574 7.784 15.423 32.139 0.00 0.00 -ATOM 10722 H2 H2O C3574 8.846 15.449 30.899 0.00 0.00 -ATOM 10723 O1 H2O C3575 8.482 11.677 40.443 0.00 0.00 -ATOM 10724 H1 H2O C3575 8.653 12.538 40.922 0.00 0.00 -ATOM 10725 H2 H2O C3575 9.285 11.087 40.521 0.00 0.00 -ATOM 10726 O1 H2O C3576 7.997 36.254 40.113 0.00 0.00 -ATOM 10727 H1 H2O C3576 7.517 35.726 39.412 0.00 0.00 -ATOM 10728 H2 H2O C3576 8.406 37.066 39.697 0.00 0.00 -ATOM 10729 O1 H2O C3577 58.417 5.593 31.708 0.00 0.00 -ATOM 10730 H1 H2O C3577 57.558 5.625 32.219 0.00 0.00 -ATOM 10731 H2 H2O C3577 58.941 4.788 31.987 0.00 0.00 -ATOM 10732 O1 H2O C3578 32.076 10.599 5.423 0.00 0.00 -ATOM 10733 H1 H2O C3578 32.950 10.582 4.939 0.00 0.00 -ATOM 10734 H2 H2O C3578 31.392 10.095 4.895 0.00 0.00 -ATOM 10735 O1 H2O C3579 21.577 51.149 13.217 0.00 0.00 -ATOM 10736 H1 H2O C3579 22.214 50.693 12.595 0.00 0.00 -ATOM 10737 H2 H2O C3579 20.671 51.189 12.796 0.00 0.00 -ATOM 10738 O1 H2O C3580 57.062 38.747 33.275 0.00 0.00 -ATOM 10739 H1 H2O C3580 57.812 39.409 33.262 0.00 0.00 -ATOM 10740 H2 H2O C3580 56.318 39.098 33.844 0.00 0.00 -ATOM 10741 O1 H2O C3581 16.438 53.708 17.523 0.00 0.00 -ATOM 10742 H1 H2O C3581 16.718 52.978 18.146 0.00 0.00 -ATOM 10743 H2 H2O C3581 16.934 54.547 17.748 0.00 0.00 -ATOM 10744 O1 H2O C3582 49.201 15.446 54.798 0.00 0.00 -ATOM 10745 H1 H2O C3582 48.214 15.610 54.813 0.00 0.00 -ATOM 10746 H2 H2O C3582 49.558 15.649 53.885 0.00 0.00 -ATOM 10747 O1 H2O C3583 15.114 53.077 42.264 0.00 0.00 -ATOM 10748 H1 H2O C3583 15.317 53.942 41.805 0.00 0.00 -ATOM 10749 H2 H2O C3583 14.982 52.360 41.579 0.00 0.00 -ATOM 10750 O1 H2O C3584 54.590 40.230 38.960 0.00 0.00 -ATOM 10751 H1 H2O C3584 54.511 39.294 39.304 0.00 0.00 -ATOM 10752 H2 H2O C3584 54.081 40.313 38.103 0.00 0.00 -ATOM 10753 O1 H2O C3585 23.426 49.104 51.248 0.00 0.00 -ATOM 10754 H1 H2O C3585 24.170 49.325 51.877 0.00 0.00 -ATOM 10755 H2 H2O C3585 23.801 48.923 50.338 0.00 0.00 -ATOM 10756 O1 H2O C3586 43.371 28.602 52.678 0.00 0.00 -ATOM 10757 H1 H2O C3586 44.001 28.513 53.450 0.00 0.00 -ATOM 10758 H2 H2O C3586 43.313 29.562 52.405 0.00 0.00 -ATOM 10759 O1 H2O C3587 3.260 16.366 55.415 0.00 0.00 -ATOM 10760 H1 H2O C3587 2.895 17.129 54.881 0.00 0.00 -ATOM 10761 H2 H2O C3587 4.124 16.062 55.013 0.00 0.00 -ATOM 10762 O1 H2O C3588 3.352 58.592 2.322 0.00 0.00 -ATOM 10763 H1 H2O C3588 3.204 59.524 1.992 0.00 0.00 -ATOM 10764 H2 H2O C3588 3.588 58.615 3.293 0.00 0.00 -ATOM 10765 O1 H2O C3589 50.317 41.577 4.231 0.00 0.00 -ATOM 10766 H1 H2O C3589 51.290 41.469 4.436 0.00 0.00 -ATOM 10767 H2 H2O C3589 49.890 40.675 4.160 0.00 0.00 -ATOM 10768 O1 H2O C3590 14.321 53.417 54.559 0.00 0.00 -ATOM 10769 H1 H2O C3590 13.363 53.394 54.843 0.00 0.00 -ATOM 10770 H2 H2O C3590 14.900 53.112 55.314 0.00 0.00 -ATOM 10771 O1 H2O C3591 7.239 58.399 45.409 0.00 0.00 -ATOM 10772 H1 H2O C3591 6.296 58.516 45.720 0.00 0.00 -ATOM 10773 H2 H2O C3591 7.353 58.840 44.518 0.00 0.00 -ATOM 10774 O1 H2O C3592 42.557 55.487 15.576 0.00 0.00 -ATOM 10775 H1 H2O C3592 43.271 55.933 15.037 0.00 0.00 -ATOM 10776 H2 H2O C3592 41.963 56.182 15.981 0.00 0.00 -ATOM 10777 O1 H2O C3593 24.020 37.809 26.880 0.00 0.00 -ATOM 10778 H1 H2O C3593 23.785 37.519 25.953 0.00 0.00 -ATOM 10779 H2 H2O C3593 24.818 37.297 27.197 0.00 0.00 -ATOM 10780 O1 H2O C3594 3.217 46.441 31.232 0.00 0.00 -ATOM 10781 H1 H2O C3594 3.037 45.469 31.386 0.00 0.00 -ATOM 10782 H2 H2O C3594 4.204 46.593 31.182 0.00 0.00 -ATOM 10783 O1 H2O C3595 19.046 16.443 47.197 0.00 0.00 -ATOM 10784 H1 H2O C3595 19.934 16.801 46.907 0.00 0.00 -ATOM 10785 H2 H2O C3595 18.585 16.022 46.416 0.00 0.00 -ATOM 10786 O1 H2O C3596 32.837 7.644 40.762 0.00 0.00 -ATOM 10787 H1 H2O C3596 31.856 7.528 40.611 0.00 0.00 -ATOM 10788 H2 H2O C3596 33.206 6.827 41.205 0.00 0.00 -ATOM 10789 O1 H2O C3597 5.945 40.986 37.377 0.00 0.00 -ATOM 10790 H1 H2O C3597 5.043 40.867 37.793 0.00 0.00 -ATOM 10791 H2 H2O C3597 6.008 41.901 36.976 0.00 0.00 -ATOM 10792 O1 H2O C3598 40.342 11.133 2.192 0.00 0.00 -ATOM 10793 H1 H2O C3598 40.934 10.356 1.979 0.00 0.00 -ATOM 10794 H2 H2O C3598 40.559 11.477 3.106 0.00 0.00 -ATOM 10795 O1 H2O C3599 3.342 26.513 56.920 0.00 0.00 -ATOM 10796 H1 H2O C3599 3.557 25.565 56.688 0.00 0.00 -ATOM 10797 H2 H2O C3599 3.010 26.989 56.105 0.00 0.00 -ATOM 10798 O1 H2O C3600 36.391 58.825 43.161 0.00 0.00 -ATOM 10799 H1 H2O C3600 36.344 59.777 43.464 0.00 0.00 -ATOM 10800 H2 H2O C3600 35.886 58.723 42.304 0.00 0.00 -ATOM 10801 O1 H2O C3601 8.128 18.318 8.379 0.00 0.00 -ATOM 10802 H1 H2O C3601 7.290 18.734 8.026 0.00 0.00 -ATOM 10803 H2 H2O C3601 8.920 18.820 8.032 0.00 0.00 -ATOM 10804 O1 H2O C3602 34.092 15.355 9.255 0.00 0.00 -ATOM 10805 H1 H2O C3602 34.150 14.674 8.525 0.00 0.00 -ATOM 10806 H2 H2O C3602 33.780 16.226 8.874 0.00 0.00 -ATOM 10807 O1 H2O C3603 0.432 13.687 46.531 0.00 0.00 -ATOM 10808 H1 H2O C3603 -0.117 12.934 46.168 0.00 0.00 -ATOM 10809 H2 H2O C3603 -0.024 14.079 47.329 0.00 0.00 -ATOM 10810 O1 H2O C3604 47.116 47.156 12.168 0.00 0.00 -ATOM 10811 H1 H2O C3604 47.595 46.278 12.213 0.00 0.00 -ATOM 10812 H2 H2O C3604 46.768 47.297 11.241 0.00 0.00 -ATOM 10813 O1 H2O C3605 46.292 9.111 54.086 0.00 0.00 -ATOM 10814 H1 H2O C3605 46.921 9.872 54.247 0.00 0.00 -ATOM 10815 H2 H2O C3605 46.377 8.446 54.827 0.00 0.00 -ATOM 10816 O1 H2O C3606 18.068 12.508 12.250 0.00 0.00 -ATOM 10817 H1 H2O C3606 18.086 13.478 12.493 0.00 0.00 -ATOM 10818 H2 H2O C3606 18.905 12.274 11.755 0.00 0.00 -ATOM 10819 O1 H2O C3607 58.610 35.697 11.760 0.00 0.00 -ATOM 10820 H1 H2O C3607 59.146 36.081 11.008 0.00 0.00 -ATOM 10821 H2 H2O C3607 57.771 36.229 11.876 0.00 0.00 -ATOM 10822 O1 H2O C3608 3.857 1.573 38.282 0.00 0.00 -ATOM 10823 H1 H2O C3608 2.994 1.338 37.834 0.00 0.00 -ATOM 10824 H2 H2O C3608 3.668 2.042 39.145 0.00 0.00 -ATOM 10825 O1 H2O C3609 26.752 44.368 49.764 0.00 0.00 -ATOM 10826 H1 H2O C3609 26.741 43.375 49.883 0.00 0.00 -ATOM 10827 H2 H2O C3609 27.478 44.762 50.328 0.00 0.00 -ATOM 10828 O1 H2O C3610 44.622 13.556 24.589 0.00 0.00 -ATOM 10829 H1 H2O C3610 43.826 14.060 24.923 0.00 0.00 -ATOM 10830 H2 H2O C3610 44.786 12.764 25.177 0.00 0.00 -ATOM 10831 O1 H2O C3611 45.639 45.930 33.755 0.00 0.00 -ATOM 10832 H1 H2O C3611 45.859 46.175 34.699 0.00 0.00 -ATOM 10833 H2 H2O C3611 46.348 45.325 33.393 0.00 0.00 -ATOM 10834 O1 H2O C3612 1.636 2.386 28.476 0.00 0.00 -ATOM 10835 H1 H2O C3612 1.113 1.785 27.871 0.00 0.00 -ATOM 10836 H2 H2O C3612 1.832 3.245 28.005 0.00 0.00 -ATOM 10837 O1 H2O C3613 22.882 11.803 16.187 0.00 0.00 -ATOM 10838 H1 H2O C3613 22.397 11.029 15.781 0.00 0.00 -ATOM 10839 H2 H2O C3613 23.856 11.587 16.256 0.00 0.00 -ATOM 10840 O1 H2O C3614 32.618 28.244 25.074 0.00 0.00 -ATOM 10841 H1 H2O C3614 32.829 28.268 24.097 0.00 0.00 -ATOM 10842 H2 H2O C3614 33.449 28.428 25.599 0.00 0.00 -ATOM 10843 O1 H2O C3615 19.105 28.712 56.279 0.00 0.00 -ATOM 10844 H1 H2O C3615 19.554 28.937 55.415 0.00 0.00 -ATOM 10845 H2 H2O C3615 19.790 28.652 57.005 0.00 0.00 -ATOM 10846 O1 H2O C3616 42.295 10.631 45.190 0.00 0.00 -ATOM 10847 H1 H2O C3616 42.713 10.904 44.323 0.00 0.00 -ATOM 10848 H2 H2O C3616 41.310 10.519 45.065 0.00 0.00 -ATOM 10849 O1 H2O C3617 4.629 23.447 3.681 0.00 0.00 -ATOM 10850 H1 H2O C3617 4.468 23.229 2.718 0.00 0.00 -ATOM 10851 H2 H2O C3617 3.753 23.579 4.144 0.00 0.00 -ATOM 10852 O1 H2O C3618 5.766 47.910 39.819 0.00 0.00 -ATOM 10853 H1 H2O C3618 5.090 47.935 39.083 0.00 0.00 -ATOM 10854 H2 H2O C3618 5.316 48.104 40.691 0.00 0.00 -ATOM 10855 O1 H2O C3619 46.030 47.442 32.056 0.00 0.00 -ATOM 10856 H1 H2O C3619 45.344 46.744 31.851 0.00 0.00 -ATOM 10857 H2 H2O C3619 45.612 48.173 32.594 0.00 0.00 -ATOM 10858 O1 H2O C3620 34.083 52.791 39.257 0.00 0.00 -ATOM 10859 H1 H2O C3620 34.084 52.778 40.257 0.00 0.00 -ATOM 10860 H2 H2O C3620 34.093 53.739 38.937 0.00 0.00 -ATOM 10861 O1 H2O C3621 4.254 8.177 40.869 0.00 0.00 -ATOM 10862 H1 H2O C3621 5.125 8.105 41.355 0.00 0.00 -ATOM 10863 H2 H2O C3621 3.696 7.370 41.063 0.00 0.00 -ATOM 10864 O1 H2O C3622 1.952 48.809 16.280 0.00 0.00 -ATOM 10865 H1 H2O C3622 2.572 48.054 16.065 0.00 0.00 -ATOM 10866 H2 H2O C3622 1.449 49.071 15.457 0.00 0.00 -ATOM 10867 O1 H2O C3623 26.728 30.457 44.737 0.00 0.00 -ATOM 10868 H1 H2O C3623 26.517 29.875 45.523 0.00 0.00 -ATOM 10869 H2 H2O C3623 26.211 31.310 44.805 0.00 0.00 -ATOM 10870 O1 H2O C3624 31.589 50.912 40.413 0.00 0.00 -ATOM 10871 H1 H2O C3624 31.609 49.933 40.211 0.00 0.00 -ATOM 10872 H2 H2O C3624 32.310 51.374 39.897 0.00 0.00 -ATOM 10873 O1 H2O C3625 15.355 29.272 4.850 0.00 0.00 -ATOM 10874 H1 H2O C3625 15.988 28.779 5.446 0.00 0.00 -ATOM 10875 H2 H2O C3625 15.644 29.168 3.898 0.00 0.00 -ATOM 10876 O1 H2O C3626 26.927 1.688 25.538 0.00 0.00 -ATOM 10877 H1 H2O C3626 27.677 1.410 26.139 0.00 0.00 -ATOM 10878 H2 H2O C3626 27.227 1.635 24.585 0.00 0.00 -ATOM 10879 O1 H2O C3627 39.864 9.980 26.002 0.00 0.00 -ATOM 10880 H1 H2O C3627 39.876 8.986 25.889 0.00 0.00 -ATOM 10881 H2 H2O C3627 40.772 10.295 26.280 0.00 0.00 -ATOM 10882 O1 H2O C3628 4.418 28.862 10.507 0.00 0.00 -ATOM 10883 H1 H2O C3628 4.028 28.870 9.586 0.00 0.00 -ATOM 10884 H2 H2O C3628 4.057 29.635 11.028 0.00 0.00 -ATOM 10885 O1 H2O C3629 53.962 35.973 49.461 0.00 0.00 -ATOM 10886 H1 H2O C3629 54.199 36.656 48.770 0.00 0.00 -ATOM 10887 H2 H2O C3629 53.996 36.392 50.368 0.00 0.00 -ATOM 10888 O1 H2O C3630 54.446 40.586 9.470 0.00 0.00 -ATOM 10889 H1 H2O C3630 54.606 40.642 10.456 0.00 0.00 -ATOM 10890 H2 H2O C3630 54.977 39.829 9.089 0.00 0.00 -ATOM 10891 O1 H2O C3631 24.580 0.665 41.638 0.00 0.00 -ATOM 10892 H1 H2O C3631 24.088 0.226 40.885 0.00 0.00 -ATOM 10893 H2 H2O C3631 24.741 -0.004 42.364 0.00 0.00 -ATOM 10894 O1 H2O C3632 1.569 43.984 7.445 0.00 0.00 -ATOM 10895 H1 H2O C3632 2.507 43.858 7.122 0.00 0.00 -ATOM 10896 H2 H2O C3632 1.237 43.130 7.845 0.00 0.00 -ATOM 10897 O1 H2O C3633 53.563 8.200 51.737 0.00 0.00 -ATOM 10898 H1 H2O C3633 53.782 7.253 51.502 0.00 0.00 -ATOM 10899 H2 H2O C3633 54.116 8.818 51.178 0.00 0.00 -ATOM 10900 O1 H2O C3634 22.047 38.899 44.448 0.00 0.00 -ATOM 10901 H1 H2O C3634 22.549 38.236 43.893 0.00 0.00 -ATOM 10902 H2 H2O C3634 21.608 39.569 43.850 0.00 0.00 -ATOM 10903 O1 H2O C3635 16.294 36.308 36.342 0.00 0.00 -ATOM 10904 H1 H2O C3635 15.368 36.026 36.593 0.00 0.00 -ATOM 10905 H2 H2O C3635 16.255 36.907 35.542 0.00 0.00 -ATOM 10906 O1 H2O C3636 54.096 43.530 42.380 0.00 0.00 -ATOM 10907 H1 H2O C3636 53.225 43.989 42.559 0.00 0.00 -ATOM 10908 H2 H2O C3636 54.596 44.028 41.672 0.00 0.00 -ATOM 10909 O1 H2O C3637 57.744 6.993 53.089 0.00 0.00 -ATOM 10910 H1 H2O C3637 56.814 7.312 52.907 0.00 0.00 -ATOM 10911 H2 H2O C3637 57.799 6.010 52.913 0.00 0.00 -ATOM 10912 O1 H2O C3638 54.212 17.239 15.771 0.00 0.00 -ATOM 10913 H1 H2O C3638 53.909 18.010 15.211 0.00 0.00 -ATOM 10914 H2 H2O C3638 54.881 16.699 15.261 0.00 0.00 -ATOM 10915 O1 H2O C3639 44.855 36.755 7.253 0.00 0.00 -ATOM 10916 H1 H2O C3639 44.131 36.902 6.578 0.00 0.00 -ATOM 10917 H2 H2O C3639 45.649 37.314 7.017 0.00 0.00 -ATOM 10918 O1 H2O C3640 47.267 42.797 2.446 0.00 0.00 -ATOM 10919 H1 H2O C3640 46.782 41.941 2.626 0.00 0.00 -ATOM 10920 H2 H2O C3640 47.512 43.231 3.313 0.00 0.00 -ATOM 10921 O1 H2O C3641 56.022 56.889 25.177 0.00 0.00 -ATOM 10922 H1 H2O C3641 56.413 57.176 26.051 0.00 0.00 -ATOM 10923 H2 H2O C3641 55.530 57.656 24.764 0.00 0.00 -ATOM 10924 O1 H2O C3642 5.549 58.860 53.569 0.00 0.00 -ATOM 10925 H1 H2O C3642 4.621 58.642 53.872 0.00 0.00 -ATOM 10926 H2 H2O C3642 5.837 59.727 53.975 0.00 0.00 -ATOM 10927 O1 H2O C3643 46.531 25.649 59.016 0.00 0.00 -ATOM 10928 H1 H2O C3643 45.642 25.492 58.586 0.00 0.00 -ATOM 10929 H2 H2O C3643 46.621 25.059 59.819 0.00 0.00 -ATOM 10930 O1 H2O C3644 49.377 16.888 0.719 0.00 0.00 -ATOM 10931 H1 H2O C3644 49.213 17.804 1.086 0.00 0.00 -ATOM 10932 H2 H2O C3644 48.742 16.711 -0.033 0.00 0.00 -ATOM 10933 O1 H2O C3645 21.583 54.883 0.568 0.00 0.00 -ATOM 10934 H1 H2O C3645 21.346 53.915 0.646 0.00 0.00 -ATOM 10935 H2 H2O C3645 22.128 55.027 -0.258 0.00 0.00 -ATOM 10936 O1 H2O C3646 8.250 37.528 53.109 0.00 0.00 -ATOM 10937 H1 H2O C3646 8.899 36.774 53.213 0.00 0.00 -ATOM 10938 H2 H2O C3646 7.980 37.605 52.150 0.00 0.00 -ATOM 10939 O1 H2O C3647 42.712 3.509 26.889 0.00 0.00 -ATOM 10940 H1 H2O C3647 43.607 3.645 27.317 0.00 0.00 -ATOM 10941 H2 H2O C3647 42.049 3.238 27.587 0.00 0.00 -ATOM 10942 O1 H2O C3648 27.734 17.000 55.135 0.00 0.00 -ATOM 10943 H1 H2O C3648 26.819 17.329 55.369 0.00 0.00 -ATOM 10944 H2 H2O C3648 27.731 16.643 54.201 0.00 0.00 -ATOM 10945 O1 H2O C3649 1.491 58.105 29.757 0.00 0.00 -ATOM 10946 H1 H2O C3649 2.011 58.093 28.903 0.00 0.00 -ATOM 10947 H2 H2O C3649 1.946 57.525 30.433 0.00 0.00 -ATOM 10948 O1 H2O C3650 50.621 16.545 18.190 0.00 0.00 -ATOM 10949 H1 H2O C3650 50.950 17.027 17.377 0.00 0.00 -ATOM 10950 H2 H2O C3650 49.686 16.226 18.032 0.00 0.00 -ATOM 10951 O1 H2O C3651 49.815 26.368 50.721 0.00 0.00 -ATOM 10952 H1 H2O C3651 48.819 26.311 50.660 0.00 0.00 -ATOM 10953 H2 H2O C3651 50.227 25.775 50.029 0.00 0.00 -ATOM 10954 O1 H2O C3652 5.533 58.397 44.565 0.00 0.00 -ATOM 10955 H1 H2O C3652 4.947 58.616 43.784 0.00 0.00 -ATOM 10956 H2 H2O C3652 6.344 58.982 44.548 0.00 0.00 -ATOM 10957 O1 H2O C3653 45.143 33.565 10.366 0.00 0.00 -ATOM 10958 H1 H2O C3653 44.250 33.856 10.022 0.00 0.00 -ATOM 10959 H2 H2O C3653 45.022 32.809 11.009 0.00 0.00 -ATOM 10960 O1 H2O C3654 37.471 5.259 47.081 0.00 0.00 -ATOM 10961 H1 H2O C3654 38.025 4.646 47.645 0.00 0.00 -ATOM 10962 H2 H2O C3654 36.786 5.710 47.654 0.00 0.00 -ATOM 10963 O1 H2O C3655 53.429 41.957 12.509 0.00 0.00 -ATOM 10964 H1 H2O C3655 54.038 41.508 11.855 0.00 0.00 -ATOM 10965 H2 H2O C3655 52.621 42.301 12.031 0.00 0.00 -ATOM 10966 O1 H2O C3656 4.838 40.191 31.377 0.00 0.00 -ATOM 10967 H1 H2O C3656 4.801 41.065 31.861 0.00 0.00 -ATOM 10968 H2 H2O C3656 4.524 39.460 31.984 0.00 0.00 -ATOM 10969 O1 H2O C3657 14.155 32.643 12.034 0.00 0.00 -ATOM 10970 H1 H2O C3657 14.679 31.876 12.406 0.00 0.00 -ATOM 10971 H2 H2O C3657 14.038 33.340 12.741 0.00 0.00 -ATOM 10972 O1 H2O C3658 57.994 9.112 7.256 0.00 0.00 -ATOM 10973 H1 H2O C3658 57.982 9.004 6.262 0.00 0.00 -ATOM 10974 H2 H2O C3658 57.247 8.580 7.657 0.00 0.00 -ATOM 10975 O1 H2O C3659 42.246 38.922 7.897 0.00 0.00 -ATOM 10976 H1 H2O C3659 42.048 39.191 8.839 0.00 0.00 -ATOM 10977 H2 H2O C3659 41.429 38.515 7.488 0.00 0.00 -ATOM 10978 O1 H2O C3660 51.701 34.683 19.137 0.00 0.00 -ATOM 10979 H1 H2O C3660 50.971 35.260 19.503 0.00 0.00 -ATOM 10980 H2 H2O C3660 51.339 33.772 18.940 0.00 0.00 -ATOM 10981 O1 H2O C3661 54.653 9.069 18.893 0.00 0.00 -ATOM 10982 H1 H2O C3661 55.216 9.320 19.680 0.00 0.00 -ATOM 10983 H2 H2O C3661 53.788 9.571 18.928 0.00 0.00 -ATOM 10984 O1 H2O C3662 21.488 27.270 27.027 0.00 0.00 -ATOM 10985 H1 H2O C3662 21.618 26.535 26.361 0.00 0.00 -ATOM 10986 H2 H2O C3662 22.084 27.116 27.815 0.00 0.00 -ATOM 10987 O1 H2O C3663 26.355 16.864 54.228 0.00 0.00 -ATOM 10988 H1 H2O C3663 25.824 17.313 54.947 0.00 0.00 -ATOM 10989 H2 H2O C3663 26.647 15.962 54.545 0.00 0.00 -ATOM 10990 O1 H2O C3664 47.502 41.650 32.961 0.00 0.00 -ATOM 10991 H1 H2O C3664 46.561 41.317 32.899 0.00 0.00 -ATOM 10992 H2 H2O C3664 47.692 42.257 32.189 0.00 0.00 -ATOM 10993 O1 H2O C3665 42.321 9.745 51.886 0.00 0.00 -ATOM 10994 H1 H2O C3665 42.508 9.025 51.218 0.00 0.00 -ATOM 10995 H2 H2O C3665 42.088 10.591 51.407 0.00 0.00 -ATOM 10996 O1 H2O C3666 31.981 30.786 10.287 0.00 0.00 -ATOM 10997 H1 H2O C3666 32.021 31.374 9.479 0.00 0.00 -ATOM 10998 H2 H2O C3666 32.909 30.542 10.568 0.00 0.00 -ATOM 10999 O1 H2O C3667 2.169 58.986 7.535 0.00 0.00 -ATOM 11000 H1 H2O C3667 2.771 58.837 8.320 0.00 0.00 -ATOM 11001 H2 H2O C3667 2.121 58.150 6.989 0.00 0.00 -ATOM 11002 O1 H2O C3668 8.476 29.574 22.208 0.00 0.00 -ATOM 11003 H1 H2O C3668 8.061 30.257 21.607 0.00 0.00 -ATOM 11004 H2 H2O C3668 9.303 29.953 22.623 0.00 0.00 -ATOM 11005 O1 H2O C3669 6.787 14.363 6.780 0.00 0.00 -ATOM 11006 H1 H2O C3669 6.524 13.417 6.970 0.00 0.00 -ATOM 11007 H2 H2O C3669 7.705 14.532 7.140 0.00 0.00 -ATOM 11008 O1 H2O C3670 53.006 38.831 9.334 0.00 0.00 -ATOM 11009 H1 H2O C3670 53.329 38.031 9.840 0.00 0.00 -ATOM 11010 H2 H2O C3670 52.610 39.491 9.973 0.00 0.00 -ATOM 11011 O1 H2O C3671 22.063 19.212 5.876 0.00 0.00 -ATOM 11012 H1 H2O C3671 21.217 19.677 6.139 0.00 0.00 -ATOM 11013 H2 H2O C3671 21.844 18.325 5.470 0.00 0.00 -ATOM 11014 O1 H2O C3672 11.828 38.437 26.324 0.00 0.00 -ATOM 11015 H1 H2O C3672 12.269 37.611 25.972 0.00 0.00 -ATOM 11016 H2 H2O C3672 11.531 38.280 27.266 0.00 0.00 -ATOM 11017 O1 H2O C3673 24.918 27.829 4.534 0.00 0.00 -ATOM 11018 H1 H2O C3673 25.820 27.991 4.134 0.00 0.00 -ATOM 11019 H2 H2O C3673 24.507 27.020 4.113 0.00 0.00 -ATOM 11020 O1 H2O C3674 18.551 0.775 11.433 0.00 0.00 -ATOM 11021 H1 H2O C3674 18.828 -0.143 11.716 0.00 0.00 -ATOM 11022 H2 H2O C3674 19.229 1.439 11.747 0.00 0.00 -ATOM 11023 O1 H2O C3675 25.685 49.582 52.444 0.00 0.00 -ATOM 11024 H1 H2O C3675 25.407 48.765 52.950 0.00 0.00 -ATOM 11025 H2 H2O C3675 24.962 50.270 52.499 0.00 0.00 -ATOM 11026 O1 H2O C3676 54.433 38.437 37.929 0.00 0.00 -ATOM 11027 H1 H2O C3676 54.051 37.749 37.312 0.00 0.00 -ATOM 11028 H2 H2O C3676 55.387 38.211 38.130 0.00 0.00 -ATOM 11029 O1 H2O C3677 55.342 1.394 10.989 0.00 0.00 -ATOM 11030 H1 H2O C3677 54.530 1.175 11.530 0.00 0.00 -ATOM 11031 H2 H2O C3677 55.494 0.675 10.310 0.00 0.00 -ATOM 11032 O1 H2O C3678 15.918 6.620 33.783 0.00 0.00 -ATOM 11033 H1 H2O C3678 15.868 7.609 33.924 0.00 0.00 -ATOM 11034 H2 H2O C3678 15.010 6.271 33.551 0.00 0.00 -ATOM 11035 O1 H2O C3679 27.353 22.967 29.294 0.00 0.00 -ATOM 11036 H1 H2O C3679 26.817 22.391 28.677 0.00 0.00 -ATOM 11037 H2 H2O C3679 27.348 23.910 28.958 0.00 0.00 -ATOM 11038 O1 H2O C3680 50.621 7.004 36.132 0.00 0.00 -ATOM 11039 H1 H2O C3680 50.197 7.039 37.036 0.00 0.00 -ATOM 11040 H2 H2O C3680 50.260 6.223 35.623 0.00 0.00 -ATOM 11041 O1 H2O C3681 24.959 32.138 12.960 0.00 0.00 -ATOM 11042 H1 H2O C3681 25.232 32.320 13.905 0.00 0.00 -ATOM 11043 H2 H2O C3681 25.686 31.635 12.494 0.00 0.00 -ATOM 11044 O1 H2O C3682 13.446 6.103 39.160 0.00 0.00 -ATOM 11045 H1 H2O C3682 13.062 5.527 38.439 0.00 0.00 -ATOM 11046 H2 H2O C3682 12.795 6.168 39.917 0.00 0.00 -ATOM 11047 O1 H2O C3683 19.536 7.029 50.963 0.00 0.00 -ATOM 11048 H1 H2O C3683 18.643 6.578 50.942 0.00 0.00 -ATOM 11049 H2 H2O C3683 20.086 6.715 50.189 0.00 0.00 -ATOM 11050 O1 H2O C3684 43.163 50.465 35.692 0.00 0.00 -ATOM 11051 H1 H2O C3684 43.067 50.309 34.709 0.00 0.00 -ATOM 11052 H2 H2O C3684 43.482 51.399 35.852 0.00 0.00 -ATOM 11053 O1 H2O C3685 35.558 32.641 10.400 0.00 0.00 -ATOM 11054 H1 H2O C3685 36.182 33.416 10.493 0.00 0.00 -ATOM 11055 H2 H2O C3685 34.690 32.856 10.847 0.00 0.00 -ATOM 11056 O1 H2O C3686 10.394 27.081 27.135 0.00 0.00 -ATOM 11057 H1 H2O C3686 10.383 26.772 28.086 0.00 0.00 -ATOM 11058 H2 H2O C3686 9.677 26.609 26.623 0.00 0.00 -ATOM 11059 O1 H2O C3687 17.092 46.929 40.366 0.00 0.00 -ATOM 11060 H1 H2O C3687 16.187 46.505 40.316 0.00 0.00 -ATOM 11061 H2 H2O C3687 17.296 47.380 39.496 0.00 0.00 -ATOM 11062 O1 H2O C3688 35.756 26.167 38.742 0.00 0.00 -ATOM 11063 H1 H2O C3688 34.922 26.577 39.110 0.00 0.00 -ATOM 11064 H2 H2O C3688 35.673 25.171 38.759 0.00 0.00 -ATOM 11065 O1 H2O C3689 12.874 45.382 1.782 0.00 0.00 -ATOM 11066 H1 H2O C3689 13.707 45.906 1.605 0.00 0.00 -ATOM 11067 H2 H2O C3689 12.907 44.522 1.273 0.00 0.00 -ATOM 11068 O1 H2O C3690 10.695 47.736 15.489 0.00 0.00 -ATOM 11069 H1 H2O C3690 10.908 46.908 16.009 0.00 0.00 -ATOM 11070 H2 H2O C3690 11.461 48.376 15.554 0.00 0.00 -ATOM 11071 O1 H2O C3691 27.386 29.638 56.796 0.00 0.00 -ATOM 11072 H1 H2O C3691 27.598 30.560 57.119 0.00 0.00 -ATOM 11073 H2 H2O C3691 26.464 29.385 57.089 0.00 0.00 -ATOM 11074 O1 H2O C3692 37.558 15.934 15.256 0.00 0.00 -ATOM 11075 H1 H2O C3692 37.433 16.763 14.710 0.00 0.00 -ATOM 11076 H2 H2O C3692 37.411 15.130 14.680 0.00 0.00 -ATOM 11077 O1 H2O C3693 58.954 41.279 3.598 0.00 0.00 -ATOM 11078 H1 H2O C3693 58.856 40.741 2.761 0.00 0.00 -ATOM 11079 H2 H2O C3693 59.918 41.508 3.736 0.00 0.00 -ATOM 11080 O1 H2O C3694 58.017 15.548 14.486 0.00 0.00 -ATOM 11081 H1 H2O C3694 57.691 16.376 14.029 0.00 0.00 -ATOM 11082 H2 H2O C3694 58.279 15.767 15.426 0.00 0.00 -ATOM 11083 O1 H2O C3695 31.463 57.476 21.211 0.00 0.00 -ATOM 11084 H1 H2O C3695 31.999 57.489 22.055 0.00 0.00 -ATOM 11085 H2 H2O C3695 31.062 56.568 21.085 0.00 0.00 -ATOM 11086 O1 H2O C3696 33.709 17.720 4.985 0.00 0.00 -ATOM 11087 H1 H2O C3696 33.809 16.764 5.261 0.00 0.00 -ATOM 11088 H2 H2O C3696 34.313 17.909 4.211 0.00 0.00 -ATOM 11089 O1 H2O C3697 17.222 19.967 23.864 0.00 0.00 -ATOM 11090 H1 H2O C3697 17.560 19.686 22.965 0.00 0.00 -ATOM 11091 H2 H2O C3697 16.977 20.936 23.840 0.00 0.00 -ATOM 11092 O1 H2O C3698 21.146 48.869 28.704 0.00 0.00 -ATOM 11093 H1 H2O C3698 21.420 47.920 28.860 0.00 0.00 -ATOM 11094 H2 H2O C3698 20.162 48.961 28.851 0.00 0.00 -ATOM 11095 O1 H2O C3699 21.581 3.631 31.316 0.00 0.00 -ATOM 11096 H1 H2O C3699 21.526 4.232 30.519 0.00 0.00 -ATOM 11097 H2 H2O C3699 20.758 3.065 31.365 0.00 0.00 -ATOM 11098 O1 H2O C3700 23.306 8.527 9.635 0.00 0.00 -ATOM 11099 H1 H2O C3700 22.423 8.965 9.808 0.00 0.00 -ATOM 11100 H2 H2O C3700 23.769 8.998 8.884 0.00 0.00 -ATOM 11101 O1 H2O C3701 10.277 4.838 29.078 0.00 0.00 -ATOM 11102 H1 H2O C3701 11.184 4.848 28.657 0.00 0.00 -ATOM 11103 H2 H2O C3701 10.363 5.021 30.058 0.00 0.00 -ATOM 11104 O1 H2O C3702 36.689 56.338 7.937 0.00 0.00 -ATOM 11105 H1 H2O C3702 37.001 56.182 8.874 0.00 0.00 -ATOM 11106 H2 H2O C3702 35.754 55.997 7.836 0.00 0.00 -ATOM 11107 O1 H2O C3703 59.940 41.678 9.418 0.00 0.00 -ATOM 11108 H1 H2O C3703 59.289 42.301 9.851 0.00 0.00 -ATOM 11109 H2 H2O C3703 59.495 40.800 9.240 0.00 0.00 -ATOM 11110 O1 H2O C3704 47.093 13.123 2.358 0.00 0.00 -ATOM 11111 H1 H2O C3704 47.556 13.912 1.952 0.00 0.00 -ATOM 11112 H2 H2O C3704 47.249 12.316 1.789 0.00 0.00 -ATOM 11113 O1 H2O C3705 22.831 0.578 32.392 0.00 0.00 -ATOM 11114 H1 H2O C3705 22.634 -0.256 31.876 0.00 0.00 -ATOM 11115 H2 H2O C3705 23.528 1.110 31.912 0.00 0.00 -ATOM 11116 O1 H2O C3706 4.712 47.629 48.607 0.00 0.00 -ATOM 11117 H1 H2O C3706 5.386 46.890 48.589 0.00 0.00 -ATOM 11118 H2 H2O C3706 3.806 47.249 48.798 0.00 0.00 -ATOM 11119 O1 H2O C3707 23.111 42.922 29.853 0.00 0.00 -ATOM 11120 H1 H2O C3707 22.353 42.610 30.426 0.00 0.00 -ATOM 11121 H2 H2O C3707 23.231 43.908 29.965 0.00 0.00 -ATOM 11122 O1 H2O C3708 21.493 9.379 32.109 0.00 0.00 -ATOM 11123 H1 H2O C3708 21.716 10.260 32.526 0.00 0.00 -ATOM 11124 H2 H2O C3708 21.240 8.726 32.823 0.00 0.00 -ATOM 11125 O1 H2O C3709 24.029 45.345 40.012 0.00 0.00 -ATOM 11126 H1 H2O C3709 24.555 44.930 39.269 0.00 0.00 -ATOM 11127 H2 H2O C3709 24.255 46.317 40.077 0.00 0.00 -ATOM 11128 O1 H2O C3710 27.977 54.082 30.160 0.00 0.00 -ATOM 11129 H1 H2O C3710 28.826 54.565 30.374 0.00 0.00 -ATOM 11130 H2 H2O C3710 27.404 54.037 30.978 0.00 0.00 -ATOM 11131 O1 H2O C3711 58.953 25.472 52.453 0.00 0.00 -ATOM 11132 H1 H2O C3711 58.970 25.731 51.487 0.00 0.00 -ATOM 11133 H2 H2O C3711 59.351 26.206 53.002 0.00 0.00 -ATOM 11134 O1 H2O C3712 44.123 53.208 50.314 0.00 0.00 -ATOM 11135 H1 H2O C3712 43.374 53.865 50.224 0.00 0.00 -ATOM 11136 H2 H2O C3712 44.930 53.555 49.835 0.00 0.00 -ATOM 11137 O1 H2O C3713 20.755 25.772 45.966 0.00 0.00 -ATOM 11138 H1 H2O C3713 21.233 25.775 45.088 0.00 0.00 -ATOM 11139 H2 H2O C3713 20.980 26.606 46.471 0.00 0.00 -ATOM 11140 O1 H2O C3714 56.838 11.730 11.584 0.00 0.00 -ATOM 11141 H1 H2O C3714 56.657 12.388 12.314 0.00 0.00 -ATOM 11142 H2 H2O C3714 56.737 12.181 10.697 0.00 0.00 -ATOM 11143 O1 H2O C3715 44.286 46.650 8.898 0.00 0.00 -ATOM 11144 H1 H2O C3715 45.264 46.636 8.691 0.00 0.00 -ATOM 11145 H2 H2O C3715 43.819 47.260 8.257 0.00 0.00 -ATOM 11146 O1 H2O C3716 33.835 41.510 52.601 0.00 0.00 -ATOM 11147 H1 H2O C3716 34.160 42.066 51.835 0.00 0.00 -ATOM 11148 H2 H2O C3716 32.857 41.332 52.492 0.00 0.00 -ATOM 11149 O1 H2O C3717 53.844 41.431 33.755 0.00 0.00 -ATOM 11150 H1 H2O C3717 54.273 42.141 34.315 0.00 0.00 -ATOM 11151 H2 H2O C3717 54.089 41.570 32.796 0.00 0.00 -ATOM 11152 O1 H2O C3718 45.509 12.809 48.099 0.00 0.00 -ATOM 11153 H1 H2O C3718 46.405 12.488 47.789 0.00 0.00 -ATOM 11154 H2 H2O C3718 44.806 12.506 47.455 0.00 0.00 -ATOM 11155 O1 H2O C3719 35.582 57.679 5.909 0.00 0.00 -ATOM 11156 H1 H2O C3719 36.070 58.213 6.599 0.00 0.00 -ATOM 11157 H2 H2O C3719 34.648 57.505 6.221 0.00 0.00 -ATOM 11158 O1 H2O C3720 21.151 56.396 50.539 0.00 0.00 -ATOM 11159 H1 H2O C3720 21.256 56.745 51.470 0.00 0.00 -ATOM 11160 H2 H2O C3720 21.786 56.874 49.931 0.00 0.00 -ATOM 11161 O1 H2O C3721 1.790 22.590 48.509 0.00 0.00 -ATOM 11162 H1 H2O C3721 1.346 23.297 49.059 0.00 0.00 -ATOM 11163 H2 H2O C3721 2.688 22.381 48.895 0.00 0.00 -ATOM 11164 O1 H2O C3722 41.908 25.683 48.534 0.00 0.00 -ATOM 11165 H1 H2O C3722 41.606 24.892 49.066 0.00 0.00 -ATOM 11166 H2 H2O C3722 42.567 26.212 49.068 0.00 0.00 -ATOM 11167 O1 H2O C3723 59.222 13.218 56.506 0.00 0.00 -ATOM 11168 H1 H2O C3723 59.602 14.143 56.484 0.00 0.00 -ATOM 11169 H2 H2O C3723 59.747 12.628 55.892 0.00 0.00 -ATOM 11170 O1 H2O C3724 53.533 34.271 4.647 0.00 0.00 -ATOM 11171 H1 H2O C3724 54.370 34.243 4.101 0.00 0.00 -ATOM 11172 H2 H2O C3724 52.863 34.866 4.201 0.00 0.00 -ATOM 11173 O1 H2O C3725 7.390 12.635 17.584 0.00 0.00 -ATOM 11174 H1 H2O C3725 7.911 13.476 17.726 0.00 0.00 -ATOM 11175 H2 H2O C3725 7.868 11.870 18.016 0.00 0.00 -ATOM 11176 O1 H2O C3726 11.871 18.789 0.211 0.00 0.00 -ATOM 11177 H1 H2O C3726 12.664 18.391 0.672 0.00 0.00 -ATOM 11178 H2 H2O C3726 11.650 19.670 0.627 0.00 0.00 -ATOM 11179 O1 H2O C3727 18.766 50.757 43.063 0.00 0.00 -ATOM 11180 H1 H2O C3727 18.151 51.528 42.896 0.00 0.00 -ATOM 11181 H2 H2O C3727 18.859 50.218 42.226 0.00 0.00 -ATOM 11182 O1 H2O C3728 12.620 6.493 9.812 0.00 0.00 -ATOM 11183 H1 H2O C3728 13.100 6.275 10.662 0.00 0.00 -ATOM 11184 H2 H2O C3728 13.031 5.982 9.057 0.00 0.00 -ATOM 11185 O1 H2O C3729 49.752 10.574 12.050 0.00 0.00 -ATOM 11186 H1 H2O C3729 49.823 9.577 12.066 0.00 0.00 -ATOM 11187 H2 H2O C3729 49.405 10.897 12.930 0.00 0.00 -ATOM 11188 O1 H2O C3730 29.619 47.908 20.225 0.00 0.00 -ATOM 11189 H1 H2O C3730 30.581 47.732 20.017 0.00 0.00 -ATOM 11190 H2 H2O C3730 29.043 47.298 19.680 0.00 0.00 -ATOM 11191 O1 H2O C3731 21.918 33.566 58.845 0.00 0.00 -ATOM 11192 H1 H2O C3731 21.091 33.439 59.393 0.00 0.00 -ATOM 11193 H2 H2O C3731 21.841 33.040 57.998 0.00 0.00 -ATOM 11194 O1 H2O C3732 12.863 18.832 15.022 0.00 0.00 -ATOM 11195 H1 H2O C3732 13.299 17.936 15.124 0.00 0.00 -ATOM 11196 H2 H2O C3732 12.610 18.970 14.064 0.00 0.00 -ATOM 11197 O1 H2O C3733 58.047 55.524 28.096 0.00 0.00 -ATOM 11198 H1 H2O C3733 57.074 55.343 28.241 0.00 0.00 -ATOM 11199 H2 H2O C3733 58.343 56.259 28.706 0.00 0.00 -ATOM 11200 O1 H2O C3734 54.037 30.570 26.867 0.00 0.00 -ATOM 11201 H1 H2O C3734 53.632 30.482 25.956 0.00 0.00 -ATOM 11202 H2 H2O C3734 54.400 31.495 26.982 0.00 0.00 -ATOM 11203 O1 H2O C3735 20.125 2.375 4.914 0.00 0.00 -ATOM 11204 H1 H2O C3735 21.067 2.150 4.665 0.00 0.00 -ATOM 11205 H2 H2O C3735 19.824 1.775 5.655 0.00 0.00 -ATOM 11206 O1 H2O C3736 42.750 15.572 22.996 0.00 0.00 -ATOM 11207 H1 H2O C3736 42.814 15.030 22.158 0.00 0.00 -ATOM 11208 H2 H2O C3736 41.795 15.628 23.284 0.00 0.00 -ATOM 11209 O1 H2O C3737 52.388 44.728 41.077 0.00 0.00 -ATOM 11210 H1 H2O C3737 51.920 45.032 41.907 0.00 0.00 -ATOM 11211 H2 H2O C3737 51.747 44.222 40.500 0.00 0.00 -ATOM 11212 O1 H2O C3738 35.441 40.186 15.155 0.00 0.00 -ATOM 11213 H1 H2O C3738 36.264 40.733 15.001 0.00 0.00 -ATOM 11214 H2 H2O C3738 34.971 40.037 14.285 0.00 0.00 -ATOM 11215 O1 H2O C3739 26.152 46.673 48.434 0.00 0.00 -ATOM 11216 H1 H2O C3739 25.597 46.611 49.264 0.00 0.00 -ATOM 11217 H2 H2O C3739 27.042 46.247 48.596 0.00 0.00 -ATOM 11218 O1 H2O C3740 10.034 52.286 0.543 0.00 0.00 -ATOM 11219 H1 H2O C3740 10.410 53.007 -0.039 0.00 0.00 -ATOM 11220 H2 H2O C3740 9.152 51.989 0.179 0.00 0.00 -ATOM 11221 O1 H2O C3741 51.032 4.563 3.820 0.00 0.00 -ATOM 11222 H1 H2O C3741 50.667 4.871 4.700 0.00 0.00 -ATOM 11223 H2 H2O C3741 51.807 3.950 3.978 0.00 0.00 -ATOM 11224 O1 H2O C3742 26.599 9.527 29.604 0.00 0.00 -ATOM 11225 H1 H2O C3742 27.346 9.862 30.179 0.00 0.00 -ATOM 11226 H2 H2O C3742 26.973 9.178 28.744 0.00 0.00 -ATOM 11227 O1 H2O C3743 35.869 46.365 52.021 0.00 0.00 -ATOM 11228 H1 H2O C3743 34.942 46.215 52.364 0.00 0.00 -ATOM 11229 H2 H2O C3743 35.829 46.649 51.063 0.00 0.00 -ATOM 11230 O1 H2O C3744 6.077 3.899 11.406 0.00 0.00 -ATOM 11231 H1 H2O C3744 6.596 4.053 12.247 0.00 0.00 -ATOM 11232 H2 H2O C3744 6.679 4.018 10.616 0.00 0.00 -ATOM 11233 O1 H2O C3745 5.745 9.748 42.076 0.00 0.00 -ATOM 11234 H1 H2O C3745 5.877 8.766 41.942 0.00 0.00 -ATOM 11235 H2 H2O C3745 6.627 10.180 42.267 0.00 0.00 -ATOM 11236 O1 H2O C3746 8.161 9.884 59.532 0.00 0.00 -ATOM 11237 H1 H2O C3746 8.799 10.487 59.053 0.00 0.00 -ATOM 11238 H2 H2O C3746 8.517 8.949 59.525 0.00 0.00 -ATOM 11239 O1 H2O C3747 25.847 32.012 51.953 0.00 0.00 -ATOM 11240 H1 H2O C3747 25.759 32.702 52.672 0.00 0.00 -ATOM 11241 H2 H2O C3747 26.712 32.144 51.470 0.00 0.00 -ATOM 11242 O1 H2O C3748 29.708 49.647 47.996 0.00 0.00 -ATOM 11243 H1 H2O C3748 30.048 50.311 48.662 0.00 0.00 -ATOM 11244 H2 H2O C3748 29.856 49.996 47.071 0.00 0.00 -ATOM 11245 O1 H2O C3749 40.120 36.085 31.416 0.00 0.00 -ATOM 11246 H1 H2O C3749 39.603 35.994 32.267 0.00 0.00 -ATOM 11247 H2 H2O C3749 41.099 36.095 31.620 0.00 0.00 -ATOM 11248 O1 H2O C3750 45.831 24.180 13.546 0.00 0.00 -ATOM 11249 H1 H2O C3750 45.336 23.707 14.276 0.00 0.00 -ATOM 11250 H2 H2O C3750 45.332 25.006 13.286 0.00 0.00 -ATOM 11251 O1 H2O C3751 50.148 38.373 34.189 0.00 0.00 -ATOM 11252 H1 H2O C3751 49.387 38.692 34.754 0.00 0.00 -ATOM 11253 H2 H2O C3751 50.947 38.952 34.350 0.00 0.00 -ATOM 11254 O1 H2O C3752 31.688 8.342 48.440 0.00 0.00 -ATOM 11255 H1 H2O C3752 32.332 8.672 49.130 0.00 0.00 -ATOM 11256 H2 H2O C3752 31.238 9.121 48.003 0.00 0.00 -ATOM 11257 O1 H2O C3753 14.145 56.030 11.526 0.00 0.00 -ATOM 11258 H1 H2O C3753 14.369 56.730 10.848 0.00 0.00 -ATOM 11259 H2 H2O C3753 13.152 55.972 11.630 0.00 0.00 -ATOM 11260 O1 H2O C3754 54.525 42.601 53.677 0.00 0.00 -ATOM 11261 H1 H2O C3754 53.579 42.342 53.876 0.00 0.00 -ATOM 11262 H2 H2O C3754 55.146 41.940 54.097 0.00 0.00 -ATOM 11263 O1 H2O C3755 54.619 35.750 27.529 0.00 0.00 -ATOM 11264 H1 H2O C3755 54.245 35.730 28.456 0.00 0.00 -ATOM 11265 H2 H2O C3755 55.357 35.079 27.453 0.00 0.00 -ATOM 11266 O1 H2O C3756 54.959 15.742 45.827 0.00 0.00 -ATOM 11267 H1 H2O C3756 54.688 15.032 45.177 0.00 0.00 -ATOM 11268 H2 H2O C3756 55.700 16.288 45.435 0.00 0.00 -ATOM 11269 O1 H2O C3757 36.685 14.053 25.814 0.00 0.00 -ATOM 11270 H1 H2O C3757 37.218 14.728 26.325 0.00 0.00 -ATOM 11271 H2 H2O C3757 36.382 13.329 26.435 0.00 0.00 -ATOM 11272 O1 H2O C3758 39.212 19.845 27.329 0.00 0.00 -ATOM 11273 H1 H2O C3758 38.869 19.069 26.799 0.00 0.00 -ATOM 11274 H2 H2O C3758 39.682 19.510 28.145 0.00 0.00 -ATOM 11275 O1 H2O C3759 12.239 7.372 21.535 0.00 0.00 -ATOM 11276 H1 H2O C3759 12.417 6.611 20.912 0.00 0.00 -ATOM 11277 H2 H2O C3759 12.698 7.203 22.408 0.00 0.00 -ATOM 11278 O1 H2O C3760 5.610 15.109 48.694 0.00 0.00 -ATOM 11279 H1 H2O C3760 5.752 14.170 49.008 0.00 0.00 -ATOM 11280 H2 H2O C3760 6.408 15.664 48.930 0.00 0.00 -ATOM 11281 O1 H2O C3761 41.258 38.378 43.827 0.00 0.00 -ATOM 11282 H1 H2O C3761 41.441 37.572 44.390 0.00 0.00 -ATOM 11283 H2 H2O C3761 41.838 39.135 44.129 0.00 0.00 -ATOM 11284 O1 H2O C3762 57.371 1.051 59.689 0.00 0.00 -ATOM 11285 H1 H2O C3762 56.827 0.496 59.058 0.00 0.00 -ATOM 11286 H2 H2O C3762 58.315 1.097 59.362 0.00 0.00 -ATOM 11287 O1 H2O C3763 23.833 42.263 54.785 0.00 0.00 -ATOM 11288 H1 H2O C3763 24.704 41.885 54.471 0.00 0.00 -ATOM 11289 H2 H2O C3763 23.907 43.258 54.854 0.00 0.00 -ATOM 11290 O1 H2O C3764 58.391 12.789 51.560 0.00 0.00 -ATOM 11291 H1 H2O C3764 59.344 12.725 51.264 0.00 0.00 -ATOM 11292 H2 H2O C3764 57.900 13.428 50.969 0.00 0.00 -ATOM 11293 O1 H2O C3765 48.230 21.393 12.263 0.00 0.00 -ATOM 11294 H1 H2O C3765 48.027 20.780 13.026 0.00 0.00 -ATOM 11295 H2 H2O C3765 49.010 21.973 12.499 0.00 0.00 -ATOM 11296 O1 H2O C3766 7.827 37.928 14.591 0.00 0.00 -ATOM 11297 H1 H2O C3766 7.314 37.410 13.905 0.00 0.00 -ATOM 11298 H2 H2O C3766 8.091 38.814 14.210 0.00 0.00 -ATOM 11299 O1 H2O C3767 21.438 58.358 47.160 0.00 0.00 -ATOM 11300 H1 H2O C3767 21.919 58.873 47.869 0.00 0.00 -ATOM 11301 H2 H2O C3767 20.574 58.814 46.946 0.00 0.00 -ATOM 11302 O1 H2O C3768 55.657 31.656 28.515 0.00 0.00 -ATOM 11303 H1 H2O C3768 55.014 30.897 28.621 0.00 0.00 -ATOM 11304 H2 H2O C3768 56.591 31.301 28.487 0.00 0.00 -ATOM 11305 O1 H2O C3769 42.661 51.026 12.249 0.00 0.00 -ATOM 11306 H1 H2O C3769 43.527 50.804 12.697 0.00 0.00 -ATOM 11307 H2 H2O C3769 42.781 50.989 11.257 0.00 0.00 -ATOM 11308 O1 H2O C3770 8.464 52.652 55.435 0.00 0.00 -ATOM 11309 H1 H2O C3770 9.403 52.985 55.346 0.00 0.00 -ATOM 11310 H2 H2O C3770 7.859 53.201 54.860 0.00 0.00 -ATOM 11311 O1 H2O C3771 22.222 8.569 29.661 0.00 0.00 -ATOM 11312 H1 H2O C3771 23.153 8.418 29.329 0.00 0.00 -ATOM 11313 H2 H2O C3771 22.110 9.530 29.915 0.00 0.00 -ATOM 11314 O1 H2O C3772 11.640 54.175 43.407 0.00 0.00 -ATOM 11315 H1 H2O C3772 11.640 55.164 43.260 0.00 0.00 -ATOM 11316 H2 H2O C3772 10.704 53.829 43.345 0.00 0.00 -ATOM 11317 O1 H2O C3773 59.155 8.427 44.601 0.00 0.00 -ATOM 11318 H1 H2O C3773 59.406 7.841 43.830 0.00 0.00 -ATOM 11319 H2 H2O C3773 59.183 7.895 45.447 0.00 0.00 -ATOM 11320 O1 H2O C3774 8.367 10.840 34.027 0.00 0.00 -ATOM 11321 H1 H2O C3774 8.860 11.306 34.762 0.00 0.00 -ATOM 11322 H2 H2O C3774 8.964 10.159 33.604 0.00 0.00 -ATOM 11323 O1 H2O C3775 51.415 21.649 11.784 0.00 0.00 -ATOM 11324 H1 H2O C3775 50.498 21.281 11.935 0.00 0.00 -ATOM 11325 H2 H2O C3775 51.852 21.156 11.031 0.00 0.00 -ATOM 11326 O1 H2O C3776 25.614 13.310 49.574 0.00 0.00 -ATOM 11327 H1 H2O C3776 24.677 13.029 49.363 0.00 0.00 -ATOM 11328 H2 H2O C3776 25.771 13.227 50.559 0.00 0.00 -ATOM 11329 O1 H2O C3777 49.233 10.488 8.733 0.00 0.00 -ATOM 11330 H1 H2O C3777 49.816 10.997 9.365 0.00 0.00 -ATOM 11331 H2 H2O C3777 48.319 10.392 9.127 0.00 0.00 -ATOM 11332 O1 H2O C3778 51.437 57.869 33.662 0.00 0.00 -ATOM 11333 H1 H2O C3778 50.534 58.117 33.313 0.00 0.00 -ATOM 11334 H2 H2O C3778 52.023 57.589 32.902 0.00 0.00 -ATOM 11335 O1 H2O C3779 40.054 31.214 26.990 0.00 0.00 -ATOM 11336 H1 H2O C3779 39.737 31.797 27.737 0.00 0.00 -ATOM 11337 H2 H2O C3779 41.023 31.001 27.121 0.00 0.00 -ATOM 11338 O1 H2O C3780 59.478 22.382 33.243 0.00 0.00 -ATOM 11339 H1 H2O C3780 59.098 23.180 32.775 0.00 0.00 -ATOM 11340 H2 H2O C3780 59.346 21.569 32.676 0.00 0.00 -ATOM 11341 O1 H2O C3781 20.932 18.947 0.610 0.00 0.00 -ATOM 11342 H1 H2O C3781 20.642 19.902 0.547 0.00 0.00 -ATOM 11343 H2 H2O C3781 20.137 18.349 0.505 0.00 0.00 -ATOM 11344 O1 H2O C3782 26.310 44.095 9.352 0.00 0.00 -ATOM 11345 H1 H2O C3782 27.052 43.708 9.899 0.00 0.00 -ATOM 11346 H2 H2O C3782 26.558 44.063 8.384 0.00 0.00 -ATOM 11347 O1 H2O C3783 14.951 54.603 30.134 0.00 0.00 -ATOM 11348 H1 H2O C3783 15.144 55.259 29.405 0.00 0.00 -ATOM 11349 H2 H2O C3783 14.333 55.019 30.801 0.00 0.00 -ATOM 11350 O1 H2O C3784 53.318 55.352 7.902 0.00 0.00 -ATOM 11351 H1 H2O C3784 52.577 54.813 8.304 0.00 0.00 -ATOM 11352 H2 H2O C3784 52.971 56.255 7.646 0.00 0.00 -ATOM 11353 O1 H2O C3785 14.793 43.050 10.761 0.00 0.00 -ATOM 11354 H1 H2O C3785 14.992 42.474 11.554 0.00 0.00 -ATOM 11355 H2 H2O C3785 14.198 43.804 11.037 0.00 0.00 -ATOM 11356 O1 H2O C3786 40.726 8.286 20.618 0.00 0.00 -ATOM 11357 H1 H2O C3786 41.191 7.579 20.086 0.00 0.00 -ATOM 11358 H2 H2O C3786 41.350 8.648 21.310 0.00 0.00 -ATOM 11359 O1 H2O C3787 45.748 42.394 9.592 0.00 0.00 -ATOM 11360 H1 H2O C3787 46.341 41.592 9.664 0.00 0.00 -ATOM 11361 H2 H2O C3787 45.784 42.912 10.448 0.00 0.00 -ATOM 11362 O1 H2O C3788 10.239 45.715 57.279 0.00 0.00 -ATOM 11363 H1 H2O C3788 10.099 44.883 57.816 0.00 0.00 -ATOM 11364 H2 H2O C3788 10.919 46.293 57.729 0.00 0.00 -ATOM 11365 O1 H2O C3789 14.137 7.475 34.650 0.00 0.00 -ATOM 11366 H1 H2O C3789 14.214 6.714 34.006 0.00 0.00 -ATOM 11367 H2 H2O C3789 14.994 7.992 34.659 0.00 0.00 -ATOM 11368 O1 H2O C3790 32.567 4.384 18.277 0.00 0.00 -ATOM 11369 H1 H2O C3790 31.649 4.317 18.669 0.00 0.00 -ATOM 11370 H2 H2O C3790 33.181 3.758 18.757 0.00 0.00 -ATOM 11371 O1 H2O C3791 11.615 49.633 13.525 0.00 0.00 -ATOM 11372 H1 H2O C3791 10.884 49.247 12.962 0.00 0.00 -ATOM 11373 H2 H2O C3791 12.446 49.722 12.976 0.00 0.00 -ATOM 11374 O1 H2O C3792 58.141 17.720 31.807 0.00 0.00 -ATOM 11375 H1 H2O C3792 57.573 18.485 31.505 0.00 0.00 -ATOM 11376 H2 H2O C3792 57.996 17.562 32.784 0.00 0.00 -ATOM 11377 O1 H2O C3793 16.409 48.831 17.481 0.00 0.00 -ATOM 11378 H1 H2O C3793 16.605 49.572 16.839 0.00 0.00 -ATOM 11379 H2 H2O C3793 17.264 48.501 17.881 0.00 0.00 -ATOM 11380 O1 H2O C3794 45.154 8.937 44.189 0.00 0.00 -ATOM 11381 H1 H2O C3794 44.219 8.600 44.294 0.00 0.00 -ATOM 11382 H2 H2O C3794 45.257 9.361 43.290 0.00 0.00 -ATOM 11383 O1 H2O C3795 55.086 44.862 27.472 0.00 0.00 -ATOM 11384 H1 H2O C3795 55.310 44.090 26.878 0.00 0.00 -ATOM 11385 H2 H2O C3795 54.787 44.522 28.363 0.00 0.00 -ATOM 11386 O1 H2O C3796 36.056 57.526 11.534 0.00 0.00 -ATOM 11387 H1 H2O C3796 36.088 58.502 11.316 0.00 0.00 -ATOM 11388 H2 H2O C3796 36.191 56.994 10.698 0.00 0.00 -ATOM 11389 O1 H2O C3797 23.612 45.449 34.212 0.00 0.00 -ATOM 11390 H1 H2O C3797 22.794 46.013 34.099 0.00 0.00 -ATOM 11391 H2 H2O C3797 23.384 44.631 34.739 0.00 0.00 -ATOM 11392 O1 H2O C3798 56.674 0.478 31.045 0.00 0.00 -ATOM 11393 H1 H2O C3798 55.907 0.464 31.687 0.00 0.00 -ATOM 11394 H2 H2O C3798 56.511 -0.188 30.317 0.00 0.00 -ATOM 11395 O1 H2O C3799 3.193 26.063 30.140 0.00 0.00 -ATOM 11396 H1 H2O C3799 3.494 25.156 30.438 0.00 0.00 -ATOM 11397 H2 H2O C3799 2.278 26.244 30.502 0.00 0.00 -ATOM 11398 O1 H2O C3800 7.170 18.045 7.903 0.00 0.00 -ATOM 11399 H1 H2O C3800 6.176 18.021 7.792 0.00 0.00 -ATOM 11400 H2 H2O C3800 7.412 17.705 8.812 0.00 0.00 -ATOM 11401 O1 H2O C3801 20.923 11.501 18.952 0.00 0.00 -ATOM 11402 H1 H2O C3801 21.154 11.299 19.904 0.00 0.00 -ATOM 11403 H2 H2O C3801 19.984 11.209 18.768 0.00 0.00 -ATOM 11404 O1 H2O C3802 54.381 18.493 37.869 0.00 0.00 -ATOM 11405 H1 H2O C3802 55.367 18.580 38.016 0.00 0.00 -ATOM 11406 H2 H2O C3802 53.987 17.920 38.588 0.00 0.00 -ATOM 11407 O1 H2O C3803 24.663 38.759 24.440 0.00 0.00 -ATOM 11408 H1 H2O C3803 25.195 37.914 24.368 0.00 0.00 -ATOM 11409 H2 H2O C3803 23.772 38.556 24.847 0.00 0.00 -ATOM 11410 O1 H2O C3804 19.721 2.601 59.304 0.00 0.00 -ATOM 11411 H1 H2O C3804 19.732 1.704 58.863 0.00 0.00 -ATOM 11412 H2 H2O C3804 20.659 2.893 59.491 0.00 0.00 -ATOM 11413 O1 H2O C3805 58.965 11.154 54.709 0.00 0.00 -ATOM 11414 H1 H2O C3805 59.633 10.577 54.238 0.00 0.00 -ATOM 11415 H2 H2O C3805 59.445 11.813 55.289 0.00 0.00 -ATOM 11416 O1 H2O C3806 21.022 49.618 58.226 0.00 0.00 -ATOM 11417 H1 H2O C3806 21.477 50.036 59.012 0.00 0.00 -ATOM 11418 H2 H2O C3806 20.166 50.100 58.041 0.00 0.00 -ATOM 11419 O1 H2O C3807 16.456 6.219 36.079 0.00 0.00 -ATOM 11420 H1 H2O C3807 15.657 6.792 36.261 0.00 0.00 -ATOM 11421 H2 H2O C3807 16.698 5.713 36.906 0.00 0.00 -ATOM 11422 O1 H2O C3808 14.105 41.056 10.292 0.00 0.00 -ATOM 11423 H1 H2O C3808 14.725 40.406 10.732 0.00 0.00 -ATOM 11424 H2 H2O C3808 14.540 41.956 10.250 0.00 0.00 -ATOM 11425 O1 H2O C3809 23.388 53.311 57.281 0.00 0.00 -ATOM 11426 H1 H2O C3809 23.694 52.801 56.476 0.00 0.00 -ATOM 11427 H2 H2O C3809 23.058 52.670 57.975 0.00 0.00 -ATOM 11428 O1 H2O C3810 33.760 2.857 2.112 0.00 0.00 -ATOM 11429 H1 H2O C3810 33.244 2.854 2.968 0.00 0.00 -ATOM 11430 H2 H2O C3810 33.135 2.713 1.345 0.00 0.00 -ATOM 11431 O1 H2O C3811 19.951 10.885 29.588 0.00 0.00 -ATOM 11432 H1 H2O C3811 19.996 9.951 29.233 0.00 0.00 -ATOM 11433 H2 H2O C3811 19.366 10.905 30.398 0.00 0.00 -ATOM 11434 O1 H2O C3812 48.330 12.218 16.899 0.00 0.00 -ATOM 11435 H1 H2O C3812 48.246 11.269 17.204 0.00 0.00 -ATOM 11436 H2 H2O C3812 47.449 12.534 16.548 0.00 0.00 -ATOM 11437 O1 H2O C3813 23.256 25.389 41.653 0.00 0.00 -ATOM 11438 H1 H2O C3813 23.896 26.132 41.853 0.00 0.00 -ATOM 11439 H2 H2O C3813 23.405 25.066 40.718 0.00 0.00 -ATOM 11440 O1 H2O C3814 29.508 14.099 25.470 0.00 0.00 -ATOM 11441 H1 H2O C3814 30.090 14.580 26.126 0.00 0.00 -ATOM 11442 H2 H2O C3814 28.554 14.159 25.763 0.00 0.00 -ATOM 11443 O1 H2O C3815 9.139 26.301 5.950 0.00 0.00 -ATOM 11444 H1 H2O C3815 9.476 27.243 5.939 0.00 0.00 -ATOM 11445 H2 H2O C3815 8.877 26.029 5.024 0.00 0.00 -ATOM 11446 O1 H2O C3816 36.952 56.191 59.409 0.00 0.00 -ATOM 11447 H1 H2O C3816 37.095 56.874 58.693 0.00 0.00 -ATOM 11448 H2 H2O C3816 36.022 55.830 59.345 0.00 0.00 -ATOM 11449 O1 H2O C3817 56.222 47.535 12.464 0.00 0.00 -ATOM 11450 H1 H2O C3817 57.029 47.866 12.955 0.00 0.00 -ATOM 11451 H2 H2O C3817 56.507 47.106 11.607 0.00 0.00 -ATOM 11452 O1 H2O C3818 8.755 44.880 30.326 0.00 0.00 -ATOM 11453 H1 H2O C3818 8.350 45.259 29.494 0.00 0.00 -ATOM 11454 H2 H2O C3818 8.644 43.886 30.327 0.00 0.00 -ATOM 11455 O1 H2O C3819 4.736 44.949 42.318 0.00 0.00 -ATOM 11456 H1 H2O C3819 4.563 45.725 41.711 0.00 0.00 -ATOM 11457 H2 H2O C3819 5.667 45.009 42.678 0.00 0.00 -ATOM 11458 O1 H2O C3820 58.092 5.726 9.925 0.00 0.00 -ATOM 11459 H1 H2O C3820 57.550 4.885 9.932 0.00 0.00 -ATOM 11460 H2 H2O C3820 58.888 5.605 9.332 0.00 0.00 -ATOM 11461 O1 H2O C3821 11.886 7.941 25.672 0.00 0.00 -ATOM 11462 H1 H2O C3821 12.085 8.817 25.232 0.00 0.00 -ATOM 11463 H2 H2O C3821 12.673 7.656 26.219 0.00 0.00 -ATOM 11464 O1 H2O C3822 24.109 8.521 24.829 0.00 0.00 -ATOM 11465 H1 H2O C3822 24.658 8.495 25.665 0.00 0.00 -ATOM 11466 H2 H2O C3822 23.923 7.588 24.523 0.00 0.00 -ATOM 11467 O1 H2O C3823 38.856 19.395 7.046 0.00 0.00 -ATOM 11468 H1 H2O C3823 39.736 19.833 7.230 0.00 0.00 -ATOM 11469 H2 H2O C3823 38.181 19.710 7.713 0.00 0.00 -ATOM 11470 O1 H2O C3824 10.325 45.082 8.822 0.00 0.00 -ATOM 11471 H1 H2O C3824 9.891 44.304 8.368 0.00 0.00 -ATOM 11472 H2 H2O C3824 9.624 45.651 9.251 0.00 0.00 -ATOM 11473 O1 H2O C3825 48.941 23.400 13.673 0.00 0.00 -ATOM 11474 H1 H2O C3825 48.656 22.646 14.265 0.00 0.00 -ATOM 11475 H2 H2O C3825 49.879 23.245 13.363 0.00 0.00 -ATOM 11476 O1 H2O C3826 41.201 23.254 33.776 0.00 0.00 -ATOM 11477 H1 H2O C3826 42.146 23.458 34.031 0.00 0.00 -ATOM 11478 H2 H2O C3826 40.598 23.445 34.551 0.00 0.00 -ATOM 11479 O1 H2O C3827 16.461 1.223 43.562 0.00 0.00 -ATOM 11480 H1 H2O C3827 16.007 1.890 42.970 0.00 0.00 -ATOM 11481 H2 H2O C3827 16.119 1.319 44.496 0.00 0.00 -ATOM 11482 O1 H2O C3828 34.717 23.660 22.207 0.00 0.00 -ATOM 11483 H1 H2O C3828 34.740 22.712 22.525 0.00 0.00 -ATOM 11484 H2 H2O C3828 34.793 23.679 21.210 0.00 0.00 -ATOM 11485 O1 H2O C3829 29.492 14.831 8.201 0.00 0.00 -ATOM 11486 H1 H2O C3829 30.194 14.290 8.665 0.00 0.00 -ATOM 11487 H2 H2O C3829 28.621 14.729 8.681 0.00 0.00 -ATOM 11488 O1 H2O C3830 7.468 59.053 35.928 0.00 0.00 -ATOM 11489 H1 H2O C3830 8.041 58.917 35.120 0.00 0.00 -ATOM 11490 H2 H2O C3830 6.561 59.365 35.645 0.00 0.00 -ATOM 11491 O1 H2O C3831 26.144 42.624 26.503 0.00 0.00 -ATOM 11492 H1 H2O C3831 26.544 43.173 27.236 0.00 0.00 -ATOM 11493 H2 H2O C3831 26.352 41.658 26.659 0.00 0.00 -ATOM 11494 O1 H2O C3832 14.926 24.553 0.545 0.00 0.00 -ATOM 11495 H1 H2O C3832 15.338 25.354 0.979 0.00 0.00 -ATOM 11496 H2 H2O C3832 15.472 23.742 0.757 0.00 0.00 -ATOM 11497 O1 H2O C3833 37.550 3.564 4.808 0.00 0.00 -ATOM 11498 H1 H2O C3833 37.837 3.880 3.903 0.00 0.00 -ATOM 11499 H2 H2O C3833 38.264 2.985 5.201 0.00 0.00 -ATOM 11500 O1 H2O C3834 52.697 56.654 20.250 0.00 0.00 -ATOM 11501 H1 H2O C3834 53.004 56.248 19.388 0.00 0.00 -ATOM 11502 H2 H2O C3834 51.698 56.711 20.253 0.00 0.00 -ATOM 11503 O1 H2O C3835 10.389 7.226 50.872 0.00 0.00 -ATOM 11504 H1 H2O C3835 10.130 8.191 50.900 0.00 0.00 -ATOM 11505 H2 H2O C3835 10.883 6.989 51.708 0.00 0.00 -ATOM 11506 O1 H2O C3836 55.723 49.844 5.514 0.00 0.00 -ATOM 11507 H1 H2O C3836 55.505 49.350 6.356 0.00 0.00 -ATOM 11508 H2 H2O C3836 55.448 50.802 5.610 0.00 0.00 -ATOM 11509 O1 H2O C3837 10.859 36.789 29.457 0.00 0.00 -ATOM 11510 H1 H2O C3837 10.592 36.205 30.224 0.00 0.00 -ATOM 11511 H2 H2O C3837 10.264 36.605 28.675 0.00 0.00 -ATOM 11512 O1 H2O C3838 21.204 53.032 32.225 0.00 0.00 -ATOM 11513 H1 H2O C3838 20.608 53.606 31.663 0.00 0.00 -ATOM 11514 H2 H2O C3838 20.662 52.315 32.663 0.00 0.00 -ATOM 11515 O1 H2O C3839 16.894 59.647 23.696 0.00 0.00 -ATOM 11516 H1 H2O C3839 16.374 59.732 24.546 0.00 0.00 -ATOM 11517 H2 H2O C3839 17.100 60.558 23.340 0.00 0.00 -ATOM 11518 O1 H2O C3840 4.449 38.963 37.715 0.00 0.00 -ATOM 11519 H1 H2O C3840 3.549 38.557 37.558 0.00 0.00 -ATOM 11520 H2 H2O C3840 4.920 38.459 38.439 0.00 0.00 -ATOM 11521 O1 H2O C3841 56.375 6.026 37.677 0.00 0.00 -ATOM 11522 H1 H2O C3841 56.170 5.217 38.228 0.00 0.00 -ATOM 11523 H2 H2O C3841 55.566 6.283 37.148 0.00 0.00 -ATOM 11524 O1 H2O C3842 25.893 23.700 56.067 0.00 0.00 -ATOM 11525 H1 H2O C3842 26.620 24.336 56.325 0.00 0.00 -ATOM 11526 H2 H2O C3842 26.221 23.095 55.342 0.00 0.00 -ATOM 11527 O1 H2O C3843 12.806 47.973 54.507 0.00 0.00 -ATOM 11528 H1 H2O C3843 13.740 48.266 54.710 0.00 0.00 -ATOM 11529 H2 H2O C3843 12.158 48.597 54.944 0.00 0.00 -ATOM 11530 O1 H2O C3844 57.023 19.931 45.620 0.00 0.00 -ATOM 11531 H1 H2O C3844 57.734 19.692 46.281 0.00 0.00 -ATOM 11532 H2 H2O C3844 57.222 20.828 45.225 0.00 0.00 -ATOM 11533 O1 H2O C3845 58.261 53.117 13.073 0.00 0.00 -ATOM 11534 H1 H2O C3845 57.429 53.024 12.526 0.00 0.00 -ATOM 11535 H2 H2O C3845 59.019 52.662 12.605 0.00 0.00 -ATOM 11536 O1 H2O C3846 26.572 48.051 44.019 0.00 0.00 -ATOM 11537 H1 H2O C3846 26.635 47.176 44.500 0.00 0.00 -ATOM 11538 H2 H2O C3846 25.842 48.601 44.423 0.00 0.00 -ATOM 11539 O1 H2O C3847 53.356 6.974 34.123 0.00 0.00 -ATOM 11540 H1 H2O C3847 52.389 7.223 34.167 0.00 0.00 -ATOM 11541 H2 H2O C3847 53.682 6.740 35.039 0.00 0.00 -ATOM 11542 O1 H2O C3848 5.864 13.318 20.412 0.00 0.00 -ATOM 11543 H1 H2O C3848 6.404 12.638 19.916 0.00 0.00 -ATOM 11544 H2 H2O C3848 5.962 14.209 19.970 0.00 0.00 -ATOM 11545 O1 H2O C3849 36.446 14.857 42.393 0.00 0.00 -ATOM 11546 H1 H2O C3849 36.366 15.462 43.186 0.00 0.00 -ATOM 11547 H2 H2O C3849 37.405 14.791 42.120 0.00 0.00 -ATOM 11548 O1 H2O C3850 49.524 23.020 16.183 0.00 0.00 -ATOM 11549 H1 H2O C3850 49.633 23.244 15.215 0.00 0.00 -ATOM 11550 H2 H2O C3850 48.695 22.475 16.308 0.00 0.00 -ATOM 11551 O1 H2O C3851 13.816 6.724 40.064 0.00 0.00 -ATOM 11552 H1 H2O C3851 14.132 6.271 40.898 0.00 0.00 -ATOM 11553 H2 H2O C3851 12.869 7.022 40.185 0.00 0.00 -ATOM 11554 O1 H2O C3852 22.551 24.680 9.840 0.00 0.00 -ATOM 11555 H1 H2O C3852 22.381 24.004 10.557 0.00 0.00 -ATOM 11556 H2 H2O C3852 22.068 24.413 9.007 0.00 0.00 -ATOM 11557 O1 H2O C3853 26.282 51.450 23.994 0.00 0.00 -ATOM 11558 H1 H2O C3853 25.784 51.065 24.771 0.00 0.00 -ATOM 11559 H2 H2O C3853 25.910 52.351 23.772 0.00 0.00 -ATOM 11560 O1 H2O C3854 21.145 20.496 52.504 0.00 0.00 -ATOM 11561 H1 H2O C3854 20.778 21.215 51.914 0.00 0.00 -ATOM 11562 H2 H2O C3854 22.144 20.503 52.457 0.00 0.00 -ATOM 11563 O1 H2O C3855 50.476 36.111 19.396 0.00 0.00 -ATOM 11564 H1 H2O C3855 50.804 36.745 20.095 0.00 0.00 -ATOM 11565 H2 H2O C3855 49.497 36.254 19.248 0.00 0.00 -ATOM 11566 O1 H2O C3856 41.006 26.115 17.146 0.00 0.00 -ATOM 11567 H1 H2O C3856 41.468 25.590 17.861 0.00 0.00 -ATOM 11568 H2 H2O C3856 40.016 26.033 17.260 0.00 0.00 -ATOM 11569 O1 H2O C3857 41.394 38.974 29.840 0.00 0.00 -ATOM 11570 H1 H2O C3857 42.060 39.361 30.478 0.00 0.00 -ATOM 11571 H2 H2O C3857 40.469 39.196 30.147 0.00 0.00 -ATOM 11572 O1 H2O C3858 10.633 29.568 2.876 0.00 0.00 -ATOM 11573 H1 H2O C3858 11.119 29.983 2.106 0.00 0.00 -ATOM 11574 H2 H2O C3858 11.113 28.740 3.165 0.00 0.00 -ATOM 11575 O1 H2O C3859 35.111 47.661 23.489 0.00 0.00 -ATOM 11576 H1 H2O C3859 36.110 47.702 23.531 0.00 0.00 -ATOM 11577 H2 H2O C3859 34.730 47.915 24.379 0.00 0.00 -ATOM 11578 O1 H2O C3860 50.390 56.422 25.134 0.00 0.00 -ATOM 11579 H1 H2O C3860 50.146 57.363 25.369 0.00 0.00 -ATOM 11580 H2 H2O C3860 49.759 55.791 25.588 0.00 0.00 -ATOM 11581 O1 H2O C3861 57.018 30.215 56.981 0.00 0.00 -ATOM 11582 H1 H2O C3861 57.171 30.575 56.061 0.00 0.00 -ATOM 11583 H2 H2O C3861 56.105 29.811 57.034 0.00 0.00 -ATOM 11584 O1 H2O C3862 42.738 52.399 49.217 0.00 0.00 -ATOM 11585 H1 H2O C3862 41.747 52.284 49.145 0.00 0.00 -ATOM 11586 H2 H2O C3862 42.941 53.273 49.659 0.00 0.00 -ATOM 11587 O1 H2O C3863 35.772 46.437 14.476 0.00 0.00 -ATOM 11588 H1 H2O C3863 34.978 45.830 14.463 0.00 0.00 -ATOM 11589 H2 H2O C3863 36.515 46.025 13.947 0.00 0.00 -ATOM 11590 O1 H2O C3864 7.051 2.085 52.298 0.00 0.00 -ATOM 11591 H1 H2O C3864 6.874 1.148 52.000 0.00 0.00 -ATOM 11592 H2 H2O C3864 7.266 2.090 53.275 0.00 0.00 -ATOM 11593 O1 H2O C3865 7.869 30.037 20.712 0.00 0.00 -ATOM 11594 H1 H2O C3865 7.196 30.373 20.053 0.00 0.00 -ATOM 11595 H2 H2O C3865 8.515 29.431 20.249 0.00 0.00 -ATOM 11596 O1 H2O C3866 32.493 44.146 40.712 0.00 0.00 -ATOM 11597 H1 H2O C3866 31.528 43.885 40.728 0.00 0.00 -ATOM 11598 H2 H2O C3866 32.586 45.050 40.294 0.00 0.00 -ATOM 11599 O1 H2O C3867 25.905 26.050 38.445 0.00 0.00 -ATOM 11600 H1 H2O C3867 26.163 26.836 39.007 0.00 0.00 -ATOM 11601 H2 H2O C3867 26.730 25.591 38.115 0.00 0.00 -ATOM 11602 O1 H2O C3868 56.517 32.704 15.316 0.00 0.00 -ATOM 11603 H1 H2O C3868 55.617 33.042 15.040 0.00 0.00 -ATOM 11604 H2 H2O C3868 57.213 33.384 15.086 0.00 0.00 -ATOM 11605 O1 H2O C3869 36.248 28.912 32.767 0.00 0.00 -ATOM 11606 H1 H2O C3869 36.334 28.887 31.771 0.00 0.00 -ATOM 11607 H2 H2O C3869 35.309 28.685 33.026 0.00 0.00 -ATOM 11608 O1 H2O C3870 4.004 22.378 0.505 0.00 0.00 -ATOM 11609 H1 H2O C3870 3.068 22.217 0.819 0.00 0.00 -ATOM 11610 H2 H2O C3870 4.635 22.282 1.275 0.00 0.00 -ATOM 11611 O1 H2O C3871 9.577 34.853 6.641 0.00 0.00 -ATOM 11612 H1 H2O C3871 9.205 35.009 7.556 0.00 0.00 -ATOM 11613 H2 H2O C3871 10.370 35.446 6.499 0.00 0.00 -ATOM 11614 O1 H2O C3872 19.987 38.751 44.279 0.00 0.00 -ATOM 11615 H1 H2O C3872 20.821 38.667 43.735 0.00 0.00 -ATOM 11616 H2 H2O C3872 19.367 37.998 44.059 0.00 0.00 -ATOM 11617 O1 H2O C3873 16.330 24.828 18.342 0.00 0.00 -ATOM 11618 H1 H2O C3873 15.474 24.560 18.784 0.00 0.00 -ATOM 11619 H2 H2O C3873 16.145 25.105 17.399 0.00 0.00 -ATOM 11620 O1 H2O C3874 34.037 51.085 0.611 0.00 0.00 -ATOM 11621 H1 H2O C3874 33.798 51.175 1.577 0.00 0.00 -ATOM 11622 H2 H2O C3874 34.507 51.914 0.306 0.00 0.00 -ATOM 11623 O1 H2O C3875 24.288 35.830 43.075 0.00 0.00 -ATOM 11624 H1 H2O C3875 23.992 35.930 42.125 0.00 0.00 -ATOM 11625 H2 H2O C3875 23.686 35.185 43.545 0.00 0.00 -ATOM 11626 O1 H2O C3876 17.628 13.046 10.583 0.00 0.00 -ATOM 11627 H1 H2O C3876 17.733 13.773 11.262 0.00 0.00 -ATOM 11628 H2 H2O C3876 16.657 12.845 10.456 0.00 0.00 -ATOM 11629 O1 H2O C3877 43.199 38.685 0.782 0.00 0.00 -ATOM 11630 H1 H2O C3877 42.350 38.250 1.083 0.00 0.00 -ATOM 11631 H2 H2O C3877 43.042 39.663 0.647 0.00 0.00 -ATOM 11632 O1 H2O C3878 7.127 33.707 32.373 0.00 0.00 -ATOM 11633 H1 H2O C3878 6.338 34.179 32.767 0.00 0.00 -ATOM 11634 H2 H2O C3878 7.677 33.307 33.105 0.00 0.00 -ATOM 11635 O1 H2O C3879 30.632 55.233 10.041 0.00 0.00 -ATOM 11636 H1 H2O C3879 30.760 55.110 11.025 0.00 0.00 -ATOM 11637 H2 H2O C3879 30.402 54.354 9.623 0.00 0.00 -ATOM 11638 O1 H2O C3880 37.538 36.386 43.420 0.00 0.00 -ATOM 11639 H1 H2O C3880 38.318 36.106 43.979 0.00 0.00 -ATOM 11640 H2 H2O C3880 37.509 37.385 43.364 0.00 0.00 -ATOM 11641 O1 H2O C3881 45.399 30.778 54.374 0.00 0.00 -ATOM 11642 H1 H2O C3881 45.897 30.360 53.615 0.00 0.00 -ATOM 11643 H2 H2O C3881 45.538 30.235 55.203 0.00 0.00 -ATOM 11644 O1 H2O C3882 57.150 24.618 20.074 0.00 0.00 -ATOM 11645 H1 H2O C3882 57.663 25.264 20.641 0.00 0.00 -ATOM 11646 H2 H2O C3882 56.750 25.105 19.296 0.00 0.00 -ATOM 11647 O1 H2O C3883 53.076 57.347 50.526 0.00 0.00 -ATOM 11648 H1 H2O C3883 53.461 57.532 49.622 0.00 0.00 -ATOM 11649 H2 H2O C3883 53.370 58.059 51.164 0.00 0.00 -ATOM 11650 O1 H2O C3884 20.797 35.495 58.265 0.00 0.00 -ATOM 11651 H1 H2O C3884 19.887 35.104 58.400 0.00 0.00 -ATOM 11652 H2 H2O C3884 20.722 36.485 58.149 0.00 0.00 -ATOM 11653 O1 H2O C3885 28.381 0.677 56.252 0.00 0.00 -ATOM 11654 H1 H2O C3885 28.853 1.099 55.477 0.00 0.00 -ATOM 11655 H2 H2O C3885 27.824 1.365 56.717 0.00 0.00 -ATOM 11656 O1 H2O C3886 47.408 41.527 9.790 0.00 0.00 -ATOM 11657 H1 H2O C3886 46.556 41.147 10.149 0.00 0.00 -ATOM 11658 H2 H2O C3886 47.974 41.851 10.549 0.00 0.00 -ATOM 11659 O1 H2O C3887 55.127 9.659 4.233 0.00 0.00 -ATOM 11660 H1 H2O C3887 55.946 9.731 3.662 0.00 0.00 -ATOM 11661 H2 H2O C3887 55.143 10.378 4.928 0.00 0.00 -ATOM 11662 O1 H2O C3888 2.903 54.077 14.355 0.00 0.00 -ATOM 11663 H1 H2O C3888 1.967 53.726 14.395 0.00 0.00 -ATOM 11664 H2 H2O C3888 3.174 54.194 13.400 0.00 0.00 -ATOM 11665 O1 H2O C3889 56.622 37.178 2.830 0.00 0.00 -ATOM 11666 H1 H2O C3889 56.523 36.436 3.492 0.00 0.00 -ATOM 11667 H2 H2O C3889 56.765 38.041 3.315 0.00 0.00 -ATOM 11668 O1 H2O C3890 51.548 27.666 45.925 0.00 0.00 -ATOM 11669 H1 H2O C3890 51.688 27.816 44.945 0.00 0.00 -ATOM 11670 H2 H2O C3890 51.364 28.542 46.372 0.00 0.00 -ATOM 11671 O1 H2O C3891 4.057 8.925 41.397 0.00 0.00 -ATOM 11672 H1 H2O C3891 4.897 9.133 41.900 0.00 0.00 -ATOM 11673 H2 H2O C3891 4.111 7.997 41.029 0.00 0.00 -ATOM 11674 O1 H2O C3892 3.859 49.969 28.649 0.00 0.00 -ATOM 11675 H1 H2O C3892 3.005 50.056 28.136 0.00 0.00 -ATOM 11676 H2 H2O C3892 4.517 50.646 28.317 0.00 0.00 -ATOM 11677 O1 H2O C3893 55.157 49.205 23.272 0.00 0.00 -ATOM 11678 H1 H2O C3893 55.532 49.161 24.198 0.00 0.00 -ATOM 11679 H2 H2O C3893 54.420 48.535 23.179 0.00 0.00 -ATOM 11680 O1 H2O C3894 52.499 23.948 36.587 0.00 0.00 -ATOM 11681 H1 H2O C3894 51.926 24.752 36.423 0.00 0.00 -ATOM 11682 H2 H2O C3894 52.474 23.353 35.784 0.00 0.00 -ATOM 11683 O1 H2O C3895 3.753 52.010 27.410 0.00 0.00 -ATOM 11684 H1 H2O C3895 4.233 52.688 26.853 0.00 0.00 -ATOM 11685 H2 H2O C3895 2.838 52.347 27.630 0.00 0.00 -ATOM 11686 O1 H2O C3896 3.415 35.254 36.171 0.00 0.00 -ATOM 11687 H1 H2O C3896 3.432 36.250 36.084 0.00 0.00 -ATOM 11688 H2 H2O C3896 4.333 34.889 36.017 0.00 0.00 -ATOM 11689 O1 H2O C3897 38.101 11.295 48.736 0.00 0.00 -ATOM 11690 H1 H2O C3897 37.769 12.024 49.335 0.00 0.00 -ATOM 11691 H2 H2O C3897 39.045 11.488 48.469 0.00 0.00 -ATOM 11692 O1 H2O C3898 14.909 40.024 27.656 0.00 0.00 -ATOM 11693 H1 H2O C3898 13.971 40.240 27.385 0.00 0.00 -ATOM 11694 H2 H2O C3898 15.211 40.673 28.355 0.00 0.00 -ATOM 11695 O1 H2O C3899 44.514 6.043 31.671 0.00 0.00 -ATOM 11696 H1 H2O C3899 44.853 6.680 30.979 0.00 0.00 -ATOM 11697 H2 H2O C3899 44.771 5.110 31.419 0.00 0.00 -ATOM 11698 O1 H2O C3900 26.136 8.485 12.886 0.00 0.00 -ATOM 11699 H1 H2O C3900 26.816 8.712 12.187 0.00 0.00 -ATOM 11700 H2 H2O C3900 26.068 7.491 12.974 0.00 0.00 -ATOM 11701 O1 H2O C3901 46.502 29.774 44.960 0.00 0.00 -ATOM 11702 H1 H2O C3901 47.044 30.073 45.746 0.00 0.00 -ATOM 11703 H2 H2O C3901 46.322 30.555 44.362 0.00 0.00 -ATOM 11704 O1 H2O C3902 59.516 40.893 1.611 0.00 0.00 -ATOM 11705 H1 H2O C3902 59.113 41.805 1.536 0.00 0.00 -ATOM 11706 H2 H2O C3902 60.377 40.866 1.102 0.00 0.00 -ATOM 11707 O1 H2O C3903 35.409 40.760 6.266 0.00 0.00 -ATOM 11708 H1 H2O C3903 34.742 40.448 6.943 0.00 0.00 -ATOM 11709 H2 H2O C3903 35.876 39.970 5.869 0.00 0.00 -ATOM 11710 O1 H2O C3904 -0.084 13.764 40.600 0.00 0.00 -ATOM 11711 H1 H2O C3904 0.907 13.688 40.485 0.00 0.00 -ATOM 11712 H2 H2O C3904 -0.345 14.729 40.611 0.00 0.00 -ATOM 11713 O1 H2O C3905 27.825 20.377 53.497 0.00 0.00 -ATOM 11714 H1 H2O C3905 27.877 21.123 52.833 0.00 0.00 -ATOM 11715 H2 H2O C3905 27.197 19.675 53.161 0.00 0.00 -ATOM 11716 O1 H2O C3906 9.514 51.289 5.642 0.00 0.00 -ATOM 11717 H1 H2O C3906 9.431 50.293 5.634 0.00 0.00 -ATOM 11718 H2 H2O C3906 10.452 51.544 5.876 0.00 0.00 -ATOM 11719 O1 H2O C3907 7.141 54.637 13.052 0.00 0.00 -ATOM 11720 H1 H2O C3907 6.372 54.260 13.569 0.00 0.00 -ATOM 11721 H2 H2O C3907 7.663 53.891 12.640 0.00 0.00 -ATOM 11722 O1 H2O C3908 53.884 42.070 47.136 0.00 0.00 -ATOM 11723 H1 H2O C3908 54.291 41.260 46.714 0.00 0.00 -ATOM 11724 H2 H2O C3908 54.479 42.859 46.983 0.00 0.00 -ATOM 11725 O1 H2O C3909 42.952 34.724 56.266 0.00 0.00 -ATOM 11726 H1 H2O C3909 43.754 35.126 56.708 0.00 0.00 -ATOM 11727 H2 H2O C3909 43.247 34.041 55.598 0.00 0.00 -ATOM 11728 O1 H2O C3910 42.354 46.342 22.376 0.00 0.00 -ATOM 11729 H1 H2O C3910 42.775 45.960 23.199 0.00 0.00 -ATOM 11730 H2 H2O C3910 42.530 47.326 22.338 0.00 0.00 -ATOM 11731 O1 H2O C3911 34.544 5.585 29.925 0.00 0.00 -ATOM 11732 H1 H2O C3911 34.090 6.272 29.355 0.00 0.00 -ATOM 11733 H2 H2O C3911 35.210 6.035 30.521 0.00 0.00 -ATOM 11734 O1 H2O C3912 47.469 33.120 38.568 0.00 0.00 -ATOM 11735 H1 H2O C3912 47.983 32.967 37.724 0.00 0.00 -ATOM 11736 H2 H2O C3912 47.820 33.935 39.029 0.00 0.00 -ATOM 11737 O1 H2O C3913 44.766 35.948 8.173 0.00 0.00 -ATOM 11738 H1 H2O C3913 44.514 36.319 9.066 0.00 0.00 -ATOM 11739 H2 H2O C3913 45.036 36.696 7.566 0.00 0.00 -ATOM 11740 O1 H2O C3914 3.437 12.994 59.938 0.00 0.00 -ATOM 11741 H1 H2O C3914 2.902 12.519 59.239 0.00 0.00 -ATOM 11742 H2 H2O C3914 4.042 12.342 60.395 0.00 0.00 -ATOM 11743 O1 H2O C3915 37.538 33.518 49.700 0.00 0.00 -ATOM 11744 H1 H2O C3915 37.534 34.508 49.846 0.00 0.00 -ATOM 11745 H2 H2O C3915 36.889 33.087 50.326 0.00 0.00 -ATOM 11746 O1 H2O C3916 33.064 60.260 44.388 0.00 0.00 -ATOM 11747 H1 H2O C3916 32.611 59.376 44.268 0.00 0.00 -ATOM 11748 H2 H2O C3916 33.993 60.115 44.729 0.00 0.00 -ATOM 11749 O1 H2O C3917 27.642 23.145 33.478 0.00 0.00 -ATOM 11750 H1 H2O C3917 28.544 23.250 33.897 0.00 0.00 -ATOM 11751 H2 H2O C3917 27.044 22.637 34.098 0.00 0.00 -ATOM 11752 O1 H2O C3918 28.559 41.670 32.017 0.00 0.00 -ATOM 11753 H1 H2O C3918 29.067 40.820 32.154 0.00 0.00 -ATOM 11754 H2 H2O C3918 28.576 41.915 31.048 0.00 0.00 -ATOM 11755 O1 H2O C3919 29.939 45.971 50.014 0.00 0.00 -ATOM 11756 H1 H2O C3919 29.109 46.488 49.804 0.00 0.00 -ATOM 11757 H2 H2O C3919 30.011 45.845 51.004 0.00 0.00 -ATOM 11758 O1 H2O C3920 19.968 25.041 7.010 0.00 0.00 -ATOM 11759 H1 H2O C3920 19.902 25.923 6.542 0.00 0.00 -ATOM 11760 H2 H2O C3920 19.618 24.320 6.412 0.00 0.00 -ATOM 11761 O1 H2O C3921 1.359 24.663 20.878 0.00 0.00 -ATOM 11762 H1 H2O C3921 1.669 25.115 21.715 0.00 0.00 -ATOM 11763 H2 H2O C3921 1.393 23.671 21.004 0.00 0.00 -ATOM 11764 O1 H2O C3922 36.311 5.952 44.012 0.00 0.00 -ATOM 11765 H1 H2O C3922 35.418 6.365 44.192 0.00 0.00 -ATOM 11766 H2 H2O C3922 36.436 5.847 43.026 0.00 0.00 -ATOM 11767 O1 H2O C3923 7.025 18.402 57.646 0.00 0.00 -ATOM 11768 H1 H2O C3923 7.618 17.778 58.156 0.00 0.00 -ATOM 11769 H2 H2O C3923 7.238 18.343 56.671 0.00 0.00 -ATOM 11770 O1 H2O C3924 47.622 12.413 34.528 0.00 0.00 -ATOM 11771 H1 H2O C3924 47.906 11.674 33.917 0.00 0.00 -ATOM 11772 H2 H2O C3924 46.843 12.111 35.077 0.00 0.00 -ATOM 11773 O1 H2O C3925 42.459 59.133 59.109 0.00 0.00 -ATOM 11774 H1 H2O C3925 42.137 58.232 58.821 0.00 0.00 -ATOM 11775 H2 H2O C3925 42.634 59.698 58.303 0.00 0.00 -ATOM 11776 O1 H2O C3926 58.738 46.520 6.142 0.00 0.00 -ATOM 11777 H1 H2O C3926 58.948 45.904 6.902 0.00 0.00 -ATOM 11778 H2 H2O C3926 58.612 47.449 6.491 0.00 0.00 -ATOM 11779 O1 H2O C3927 20.851 22.742 28.377 0.00 0.00 -ATOM 11780 H1 H2O C3927 21.256 22.924 27.481 0.00 0.00 -ATOM 11781 H2 H2O C3927 21.265 21.921 28.769 0.00 0.00 -ATOM 11782 O1 H2O C3928 20.025 54.530 16.765 0.00 0.00 -ATOM 11783 H1 H2O C3928 20.220 53.604 16.442 0.00 0.00 -ATOM 11784 H2 H2O C3928 20.853 55.087 16.699 0.00 0.00 -ATOM 11785 O1 H2O C3929 13.842 48.843 43.244 0.00 0.00 -ATOM 11786 H1 H2O C3929 13.988 48.303 42.415 0.00 0.00 -ATOM 11787 H2 H2O C3929 13.079 48.459 43.763 0.00 0.00 -ATOM 11788 O1 H2O C3930 42.715 37.537 25.455 0.00 0.00 -ATOM 11789 H1 H2O C3930 43.307 37.852 26.197 0.00 0.00 -ATOM 11790 H2 H2O C3930 42.970 37.999 24.606 0.00 0.00 -ATOM 11791 O1 H2O C3931 40.317 29.505 41.086 0.00 0.00 -ATOM 11792 H1 H2O C3931 40.926 30.235 41.395 0.00 0.00 -ATOM 11793 H2 H2O C3931 40.563 28.650 41.543 0.00 0.00 -ATOM 11794 O1 H2O C3932 13.068 32.192 31.384 0.00 0.00 -ATOM 11795 H1 H2O C3932 12.445 31.421 31.257 0.00 0.00 -ATOM 11796 H2 H2O C3932 12.901 32.613 32.275 0.00 0.00 -ATOM 11797 O1 H2O C3933 29.624 52.825 53.753 0.00 0.00 -ATOM 11798 H1 H2O C3933 29.368 53.772 53.949 0.00 0.00 -ATOM 11799 H2 H2O C3933 28.897 52.386 53.226 0.00 0.00 -ATOM 11800 O1 H2O C3934 13.831 7.824 11.969 0.00 0.00 -ATOM 11801 H1 H2O C3934 12.916 7.609 12.310 0.00 0.00 -ATOM 11802 H2 H2O C3934 14.127 8.704 12.340 0.00 0.00 -ATOM 11803 O1 H2O C3935 34.893 46.459 57.277 0.00 0.00 -ATOM 11804 H1 H2O C3935 34.389 47.030 57.925 0.00 0.00 -ATOM 11805 H2 H2O C3935 34.247 45.960 56.700 0.00 0.00 -ATOM 11806 O1 H2O C3936 27.012 32.513 50.953 0.00 0.00 -ATOM 11807 H1 H2O C3936 26.606 33.427 50.958 0.00 0.00 -ATOM 11808 H2 H2O C3936 27.665 32.435 51.706 0.00 0.00 -ATOM 11809 O1 H2O C3937 12.376 23.983 38.628 0.00 0.00 -ATOM 11810 H1 H2O C3937 13.335 23.830 38.388 0.00 0.00 -ATOM 11811 H2 H2O C3937 11.964 24.611 37.968 0.00 0.00 -ATOM 11812 O1 H2O C3938 37.406 6.560 52.182 0.00 0.00 -ATOM 11813 H1 H2O C3938 38.135 6.238 51.578 0.00 0.00 -ATOM 11814 H2 H2O C3938 36.863 5.781 52.494 0.00 0.00 -ATOM 11815 O1 H2O C3939 5.038 44.713 50.662 0.00 0.00 -ATOM 11816 H1 H2O C3939 4.812 45.684 50.578 0.00 0.00 -ATOM 11817 H2 H2O C3939 5.685 44.587 51.415 0.00 0.00 -ATOM 11818 O1 H2O C3940 44.099 29.023 57.327 0.00 0.00 -ATOM 11819 H1 H2O C3940 43.684 28.140 57.543 0.00 0.00 -ATOM 11820 H2 H2O C3940 43.392 29.657 57.014 0.00 0.00 -ATOM 11821 O1 H2O C3941 58.764 15.171 32.468 0.00 0.00 -ATOM 11822 H1 H2O C3941 58.273 15.883 31.966 0.00 0.00 -ATOM 11823 H2 H2O C3941 58.856 15.442 33.426 0.00 0.00 -ATOM 11824 O1 H2O C3942 4.076 5.332 32.782 0.00 0.00 -ATOM 11825 H1 H2O C3942 3.890 4.393 33.074 0.00 0.00 -ATOM 11826 H2 H2O C3942 3.323 5.925 33.068 0.00 0.00 -ATOM 11827 O1 H2O C3943 21.116 10.851 19.859 0.00 0.00 -ATOM 11828 H1 H2O C3943 21.886 10.275 19.583 0.00 0.00 -ATOM 11829 H2 H2O C3943 20.260 10.425 19.567 0.00 0.00 -END diff --git a/simulations/equilb_boxes/3x3x1.6nm_3-layer/gomc/u_n_3769/Output_data_merged.psf b/simulations/equilb_boxes/3x3x1.6nm_3-layer/gomc/u_n_3769/Output_data_merged.psf deleted file mode 100644 index 2d16798..0000000 --- a/simulations/equilb_boxes/3x3x1.6nm_3-layer/gomc/u_n_3769/Output_data_merged.psf +++ /dev/null @@ -1,18634 +0,0 @@ -PSF - - 2 !NTITLE - REMARKS Combined PSF produced by GOMC - REMARKS Contains Geometry data for molecules in ALL boxes in the system - - 15009 !NATOM - 1 TOP 1 TOP C1 2 0.000000 12.0108 0 - 2 TOP 1 TOP C2 2 0.000000 12.0108 0 - 3 TOP 1 TOP C3 2 0.000000 12.0108 0 - 4 TOP 1 TOP C4 2 0.000000 12.0108 0 - 5 TOP 1 TOP C5 2 0.000000 12.0108 0 - 6 TOP 1 TOP C6 2 0.000000 12.0108 0 - 7 TOP 1 TOP C7 2 0.000000 12.0108 0 - 8 TOP 1 TOP C8 2 0.000000 12.0108 0 - 9 TOP 1 TOP C9 2 0.000000 12.0108 0 - 10 TOP 1 TOP CA 2 0.000000 12.0108 0 - 11 TOP 1 TOP CB 2 0.000000 12.0108 0 - 12 TOP 1 TOP CC 2 0.000000 12.0108 0 - 13 TOP 1 TOP CD 2 0.000000 12.0108 0 - 14 TOP 1 TOP CE 2 0.000000 12.0108 0 - 15 TOP 1 TOP CF 2 0.000000 12.0108 0 - 16 TOP 1 TOP CG 2 0.000000 12.0108 0 - 17 TOP 1 TOP CH 2 0.000000 12.0108 0 - 18 TOP 1 TOP CI 2 0.000000 12.0108 0 - 19 TOP 1 TOP CJ 2 0.000000 12.0108 0 - 20 TOP 1 TOP CK 2 0.000000 12.0108 0 - 21 TOP 1 TOP CL 2 0.000000 12.0108 0 - 22 TOP 1 TOP CM 2 0.000000 12.0108 0 - 23 TOP 1 TOP CN 2 0.000000 12.0108 0 - 24 TOP 1 TOP CO 2 0.000000 12.0108 0 - 25 TOP 1 TOP CP 2 0.000000 12.0108 0 - 26 TOP 1 TOP CQ 2 0.000000 12.0108 0 - 27 TOP 1 TOP CR 2 0.000000 12.0108 0 - 28 TOP 1 TOP CS 2 0.000000 12.0108 0 - 29 TOP 1 TOP CT 2 0.000000 12.0108 0 - 30 TOP 1 TOP CU 2 0.000000 12.0108 0 - 31 TOP 1 TOP CV 2 0.000000 12.0108 0 - 32 TOP 1 TOP CW 2 0.000000 12.0108 0 - 33 TOP 1 TOP CX 2 0.000000 12.0108 0 - 34 TOP 1 TOP CY 2 0.000000 12.0108 0 - 35 TOP 1 TOP CZ 2 0.000000 12.0108 0 - 36 TOP 1 TOP Ca 2 0.000000 12.0108 0 - 37 TOP 1 TOP Cb 2 0.000000 12.0108 0 - 38 TOP 1 TOP Cc 2 0.000000 12.0108 0 - 39 TOP 1 TOP Cd 2 0.000000 12.0108 0 - 40 TOP 1 TOP Ce 2 0.000000 12.0108 0 - 41 TOP 1 TOP Cf 2 0.000000 12.0108 0 - 42 TOP 1 TOP Cg 2 0.000000 12.0108 0 - 43 TOP 1 TOP Ch 2 0.000000 12.0108 0 - 44 TOP 1 TOP Ci 2 0.000000 12.0108 0 - 45 TOP 1 TOP Cj 2 0.000000 12.0108 0 - 46 TOP 1 TOP Ck 2 0.000000 12.0108 0 - 47 TOP 1 TOP Cl 2 0.000000 12.0108 0 - 48 TOP 1 TOP Cm 2 0.000000 12.0108 0 - 49 TOP 1 TOP Cn 2 0.000000 12.0108 0 - 50 TOP 1 TOP Co 2 0.000000 12.0108 0 - 51 TOP 1 TOP Cp 2 0.000000 12.0108 0 - 52 TOP 1 TOP Cq 2 0.000000 12.0108 0 - 53 TOP 1 TOP Cr 2 0.000000 12.0108 0 - 54 TOP 1 TOP Cs 2 0.000000 12.0108 0 - 55 TOP 1 TOP Ct 2 0.000000 12.0108 0 - 56 TOP 1 TOP Cu 2 0.000000 12.0108 0 - 57 TOP 1 TOP Cv 2 0.000000 12.0108 0 - 58 TOP 1 TOP Cw 2 0.000000 12.0108 0 - 59 TOP 1 TOP Cx 2 0.000000 12.0108 0 - 60 TOP 1 TOP Cy 2 0.000000 12.0108 0 - 61 TOP 1 TOP Cz 2 0.000000 12.0108 0 - 62 TOP 1 TOP C10 2 0.000000 12.0108 0 - 63 TOP 1 TOP C11 2 0.000000 12.0108 0 - 64 TOP 1 TOP C12 2 0.000000 12.0108 0 - 65 TOP 1 TOP C13 2 0.000000 12.0108 0 - 66 TOP 1 TOP C14 2 0.000000 12.0108 0 - 67 TOP 1 TOP C15 2 0.000000 12.0108 0 - 68 TOP 1 TOP C16 2 0.000000 12.0108 0 - 69 TOP 1 TOP C17 2 0.000000 12.0108 0 - 70 TOP 1 TOP C18 2 0.000000 12.0108 0 - 71 TOP 1 TOP C19 2 0.000000 12.0108 0 - 72 TOP 1 TOP C1A 2 0.000000 12.0108 0 - 73 TOP 1 TOP C1B 2 0.000000 12.0108 0 - 74 TOP 1 TOP C1C 2 0.000000 12.0108 0 - 75 TOP 1 TOP C1D 2 0.000000 12.0108 0 - 76 TOP 1 TOP C1E 2 0.000000 12.0108 0 - 77 TOP 1 TOP C1F 2 0.000000 12.0108 0 - 78 TOP 1 TOP C1G 2 0.000000 12.0108 0 - 79 TOP 1 TOP C1H 2 0.000000 12.0108 0 - 80 TOP 1 TOP C1I 2 0.000000 12.0108 0 - 81 TOP 1 TOP C1J 2 0.000000 12.0108 0 - 82 TOP 1 TOP C1K 2 0.000000 12.0108 0 - 83 TOP 1 TOP C1L 2 0.000000 12.0108 0 - 84 TOP 1 TOP C1M 2 0.000000 12.0108 0 - 85 TOP 1 TOP C1N 2 0.000000 12.0108 0 - 86 TOP 1 TOP C1O 2 0.000000 12.0108 0 - 87 TOP 1 TOP C1P 2 0.000000 12.0108 0 - 88 TOP 1 TOP C1Q 2 0.000000 12.0108 0 - 89 TOP 1 TOP C1R 2 0.000000 12.0108 0 - 90 TOP 1 TOP C1S 2 0.000000 12.0108 0 - 91 TOP 1 TOP C1T 2 0.000000 12.0108 0 - 92 TOP 1 TOP C1U 2 0.000000 12.0108 0 - 93 TOP 1 TOP C1V 2 0.000000 12.0108 0 - 94 TOP 1 TOP C1W 2 0.000000 12.0108 0 - 95 TOP 1 TOP C1X 2 0.000000 12.0108 0 - 96 TOP 1 TOP C1Y 2 0.000000 12.0108 0 - 97 TOP 1 TOP C1Z 2 0.000000 12.0108 0 - 98 TOP 1 TOP C1a 2 0.000000 12.0108 0 - 99 TOP 1 TOP C1b 2 0.000000 12.0108 0 - 100 TOP 1 TOP C1c 2 0.000000 12.0108 0 - 101 TOP 1 TOP C1d 2 0.000000 12.0108 0 - 102 TOP 1 TOP C1e 2 0.000000 12.0108 0 - 103 TOP 1 TOP C1f 2 0.000000 12.0108 0 - 104 TOP 1 TOP C1g 2 0.000000 12.0108 0 - 105 TOP 1 TOP C1h 2 0.000000 12.0108 0 - 106 TOP 1 TOP C1i 2 0.000000 12.0108 0 - 107 TOP 1 TOP C1j 2 0.000000 12.0108 0 - 108 TOP 1 TOP C1k 2 0.000000 12.0108 0 - 109 TOP 1 TOP C1l 2 0.000000 12.0108 0 - 110 TOP 1 TOP C1m 2 0.000000 12.0108 0 - 111 TOP 1 TOP C1n 2 0.000000 12.0108 0 - 112 TOP 1 TOP C1o 2 0.000000 12.0108 0 - 113 TOP 1 TOP C1p 2 0.000000 12.0108 0 - 114 TOP 1 TOP C1q 2 0.000000 12.0108 0 - 115 TOP 1 TOP C1r 2 0.000000 12.0108 0 - 116 TOP 1 TOP C1s 2 0.000000 12.0108 0 - 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BOT CGG 1 0.000000 12.0108 0 - 2017 H2O 1 H2O O1 4 -0.847600 15.9994 0 - 2018 H2O 1 H2O H1 3 0.423800 1.0079 0 - 2019 H2O 1 H2O H2 3 0.423800 1.0079 0 - 2020 H2O 2 H2O O1 4 -0.847600 15.9994 0 - 2021 H2O 2 H2O H1 3 0.423800 1.0079 0 - 2022 H2O 2 H2O H2 3 0.423800 1.0079 0 - 2023 H2O 3 H2O O1 4 -0.847600 15.9994 0 - 2024 H2O 3 H2O H1 3 0.423800 1.0079 0 - 2025 H2O 3 H2O H2 3 0.423800 1.0079 0 - 2026 H2O 4 H2O O1 4 -0.847600 15.9994 0 - 2027 H2O 4 H2O H1 3 0.423800 1.0079 0 - 2028 H2O 4 H2O H2 3 0.423800 1.0079 0 - 2029 H2O 5 H2O O1 4 -0.847600 15.9994 0 - 2030 H2O 5 H2O H1 3 0.423800 1.0079 0 - 2031 H2O 5 H2O H2 3 0.423800 1.0079 0 - 2032 H2O 6 H2O O1 4 -0.847600 15.9994 0 - 2033 H2O 6 H2O H1 3 0.423800 1.0079 0 - 2034 H2O 6 H2O H2 3 0.423800 1.0079 0 - 2035 H2O 7 H2O O1 4 -0.847600 15.9994 0 - 2036 H2O 7 H2O H1 3 0.423800 1.0079 0 - 2037 H2O 7 H2O H2 3 0.423800 1.0079 0 - 2038 H2O 8 H2O O1 4 -0.847600 15.9994 0 - 2039 H2O 8 H2O H1 3 0.423800 1.0079 0 - 2040 H2O 8 H2O H2 3 0.423800 1.0079 0 - 2041 H2O 9 H2O O1 4 -0.847600 15.9994 0 - 2042 H2O 9 H2O H1 3 0.423800 1.0079 0 - 2043 H2O 9 H2O H2 3 0.423800 1.0079 0 - 2044 H2O 10 H2O O1 4 -0.847600 15.9994 0 - 2045 H2O 10 H2O H1 3 0.423800 1.0079 0 - 2046 H2O 10 H2O H2 3 0.423800 1.0079 0 - 2047 H2O 11 H2O O1 4 -0.847600 15.9994 0 - 2048 H2O 11 H2O H1 3 0.423800 1.0079 0 - 2049 H2O 11 H2O H2 3 0.423800 1.0079 0 - 2050 H2O 12 H2O O1 4 -0.847600 15.9994 0 - 2051 H2O 12 H2O H1 3 0.423800 1.0079 0 - 2052 H2O 12 H2O H2 3 0.423800 1.0079 0 - 2053 H2O 13 H2O O1 4 -0.847600 15.9994 0 - 2054 H2O 13 H2O H1 3 0.423800 1.0079 0 - 2055 H2O 13 H2O H2 3 0.423800 1.0079 0 - 2056 H2O 14 H2O O1 4 -0.847600 15.9994 0 - 2057 H2O 14 H2O H1 3 0.423800 1.0079 0 - 2058 H2O 14 H2O H2 3 0.423800 1.0079 0 - 2059 H2O 15 H2O O1 4 -0.847600 15.9994 0 - 2060 H2O 15 H2O H1 3 0.423800 1.0079 0 - 2061 H2O 15 H2O H2 3 0.423800 1.0079 0 - 2062 H2O 16 H2O O1 4 -0.847600 15.9994 0 - 2063 H2O 16 H2O H1 3 0.423800 1.0079 0 - 2064 H2O 16 H2O H2 3 0.423800 1.0079 0 - 2065 H2O 17 H2O O1 4 -0.847600 15.9994 0 - 2066 H2O 17 H2O H1 3 0.423800 1.0079 0 - 2067 H2O 17 H2O H2 3 0.423800 1.0079 0 - 2068 H2O 18 H2O O1 4 -0.847600 15.9994 0 - 2069 H2O 18 H2O H1 3 0.423800 1.0079 0 - 2070 H2O 18 H2O H2 3 0.423800 1.0079 0 - 2071 H2O 19 H2O O1 4 -0.847600 15.9994 0 - 2072 H2O 19 H2O H1 3 0.423800 1.0079 0 - 2073 H2O 19 H2O H2 3 0.423800 1.0079 0 - 2074 H2O 20 H2O O1 4 -0.847600 15.9994 0 - 2075 H2O 20 H2O H1 3 0.423800 1.0079 0 - 2076 H2O 20 H2O H2 3 0.423800 1.0079 0 - 2077 H2O 21 H2O O1 4 -0.847600 15.9994 0 - 2078 H2O 21 H2O H1 3 0.423800 1.0079 0 - 2079 H2O 21 H2O H2 3 0.423800 1.0079 0 - 2080 H2O 22 H2O O1 4 -0.847600 15.9994 0 - 2081 H2O 22 H2O H1 3 0.423800 1.0079 0 - 2082 H2O 22 H2O H2 3 0.423800 1.0079 0 - 2083 H2O 23 H2O O1 4 -0.847600 15.9994 0 - 2084 H2O 23 H2O H1 3 0.423800 1.0079 0 - 2085 H2O 23 H2O H2 3 0.423800 1.0079 0 - 2086 H2O 24 H2O O1 4 -0.847600 15.9994 0 - 2087 H2O 24 H2O H1 3 0.423800 1.0079 0 - 2088 H2O 24 H2O H2 3 0.423800 1.0079 0 - 2089 H2O 25 H2O O1 4 -0.847600 15.9994 0 - 2090 H2O 25 H2O H1 3 0.423800 1.0079 0 - 2091 H2O 25 H2O H2 3 0.423800 1.0079 0 - 2092 H2O 26 H2O O1 4 -0.847600 15.9994 0 - 2093 H2O 26 H2O H1 3 0.423800 1.0079 0 - 2094 H2O 26 H2O H2 3 0.423800 1.0079 0 - 2095 H2O 27 H2O O1 4 -0.847600 15.9994 0 - 2096 H2O 27 H2O H1 3 0.423800 1.0079 0 - 2097 H2O 27 H2O H2 3 0.423800 1.0079 0 - 2098 H2O 28 H2O O1 4 -0.847600 15.9994 0 - 2099 H2O 28 H2O H1 3 0.423800 1.0079 0 - 2100 H2O 28 H2O H2 3 0.423800 1.0079 0 - 2101 H2O 29 H2O O1 4 -0.847600 15.9994 0 - 2102 H2O 29 H2O H1 3 0.423800 1.0079 0 - 2103 H2O 29 H2O H2 3 0.423800 1.0079 0 - 2104 H2O 30 H2O O1 4 -0.847600 15.9994 0 - 2105 H2O 30 H2O H1 3 0.423800 1.0079 0 - 2106 H2O 30 H2O H2 3 0.423800 1.0079 0 - 2107 H2O 31 H2O O1 4 -0.847600 15.9994 0 - 2108 H2O 31 H2O H1 3 0.423800 1.0079 0 - 2109 H2O 31 H2O H2 3 0.423800 1.0079 0 - 2110 H2O 32 H2O O1 4 -0.847600 15.9994 0 - 2111 H2O 32 H2O H1 3 0.423800 1.0079 0 - 2112 H2O 32 H2O H2 3 0.423800 1.0079 0 - 2113 H2O 33 H2O O1 4 -0.847600 15.9994 0 - 2114 H2O 33 H2O H1 3 0.423800 1.0079 0 - 2115 H2O 33 H2O H2 3 0.423800 1.0079 0 - 2116 H2O 34 H2O O1 4 -0.847600 15.9994 0 - 2117 H2O 34 H2O H1 3 0.423800 1.0079 0 - 2118 H2O 34 H2O H2 3 0.423800 1.0079 0 - 2119 H2O 35 H2O O1 4 -0.847600 15.9994 0 - 2120 H2O 35 H2O H1 3 0.423800 1.0079 0 - 2121 H2O 35 H2O H2 3 0.423800 1.0079 0 - 2122 H2O 36 H2O O1 4 -0.847600 15.9994 0 - 2123 H2O 36 H2O H1 3 0.423800 1.0079 0 - 2124 H2O 36 H2O H2 3 0.423800 1.0079 0 - 2125 H2O 37 H2O O1 4 -0.847600 15.9994 0 - 2126 H2O 37 H2O H1 3 0.423800 1.0079 0 - 2127 H2O 37 H2O H2 3 0.423800 1.0079 0 - 2128 H2O 38 H2O O1 4 -0.847600 15.9994 0 - 2129 H2O 38 H2O H1 3 0.423800 1.0079 0 - 2130 H2O 38 H2O H2 3 0.423800 1.0079 0 - 2131 H2O 39 H2O O1 4 -0.847600 15.9994 0 - 2132 H2O 39 H2O H1 3 0.423800 1.0079 0 - 2133 H2O 39 H2O H2 3 0.423800 1.0079 0 - 2134 H2O 40 H2O O1 4 -0.847600 15.9994 0 - 2135 H2O 40 H2O H1 3 0.423800 1.0079 0 - 2136 H2O 40 H2O H2 3 0.423800 1.0079 0 - 2137 H2O 41 H2O O1 4 -0.847600 15.9994 0 - 2138 H2O 41 H2O H1 3 0.423800 1.0079 0 - 2139 H2O 41 H2O H2 3 0.423800 1.0079 0 - 2140 H2O 42 H2O O1 4 -0.847600 15.9994 0 - 2141 H2O 42 H2O H1 3 0.423800 1.0079 0 - 2142 H2O 42 H2O H2 3 0.423800 1.0079 0 - 2143 H2O 43 H2O O1 4 -0.847600 15.9994 0 - 2144 H2O 43 H2O H1 3 0.423800 1.0079 0 - 2145 H2O 43 H2O H2 3 0.423800 1.0079 0 - 2146 H2O 44 H2O O1 4 -0.847600 15.9994 0 - 2147 H2O 44 H2O H1 3 0.423800 1.0079 0 - 2148 H2O 44 H2O H2 3 0.423800 1.0079 0 - 2149 H2O 45 H2O O1 4 -0.847600 15.9994 0 - 2150 H2O 45 H2O H1 3 0.423800 1.0079 0 - 2151 H2O 45 H2O H2 3 0.423800 1.0079 0 - 2152 H2O 46 H2O O1 4 -0.847600 15.9994 0 - 2153 H2O 46 H2O H1 3 0.423800 1.0079 0 - 2154 H2O 46 H2O H2 3 0.423800 1.0079 0 - 2155 H2O 47 H2O O1 4 -0.847600 15.9994 0 - 2156 H2O 47 H2O H1 3 0.423800 1.0079 0 - 2157 H2O 47 H2O H2 3 0.423800 1.0079 0 - 2158 H2O 48 H2O O1 4 -0.847600 15.9994 0 - 2159 H2O 48 H2O H1 3 0.423800 1.0079 0 - 2160 H2O 48 H2O H2 3 0.423800 1.0079 0 - 2161 H2O 49 H2O O1 4 -0.847600 15.9994 0 - 2162 H2O 49 H2O H1 3 0.423800 1.0079 0 - 2163 H2O 49 H2O H2 3 0.423800 1.0079 0 - 2164 H2O 50 H2O O1 4 -0.847600 15.9994 0 - 2165 H2O 50 H2O H1 3 0.423800 1.0079 0 - 2166 H2O 50 H2O H2 3 0.423800 1.0079 0 - 2167 H2O 51 H2O O1 4 -0.847600 15.9994 0 - 2168 H2O 51 H2O H1 3 0.423800 1.0079 0 - 2169 H2O 51 H2O H2 3 0.423800 1.0079 0 - 2170 H2O 52 H2O O1 4 -0.847600 15.9994 0 - 2171 H2O 52 H2O H1 3 0.423800 1.0079 0 - 2172 H2O 52 H2O H2 3 0.423800 1.0079 0 - 2173 H2O 53 H2O O1 4 -0.847600 15.9994 0 - 2174 H2O 53 H2O H1 3 0.423800 1.0079 0 - 2175 H2O 53 H2O H2 3 0.423800 1.0079 0 - 2176 H2O 54 H2O O1 4 -0.847600 15.9994 0 - 2177 H2O 54 H2O H1 3 0.423800 1.0079 0 - 2178 H2O 54 H2O H2 3 0.423800 1.0079 0 - 2179 H2O 55 H2O O1 4 -0.847600 15.9994 0 - 2180 H2O 55 H2O H1 3 0.423800 1.0079 0 - 2181 H2O 55 H2O H2 3 0.423800 1.0079 0 - 2182 H2O 56 H2O O1 4 -0.847600 15.9994 0 - 2183 H2O 56 H2O H1 3 0.423800 1.0079 0 - 2184 H2O 56 H2O H2 3 0.423800 1.0079 0 - 2185 H2O 57 H2O O1 4 -0.847600 15.9994 0 - 2186 H2O 57 H2O H1 3 0.423800 1.0079 0 - 2187 H2O 57 H2O H2 3 0.423800 1.0079 0 - 2188 H2O 58 H2O O1 4 -0.847600 15.9994 0 - 2189 H2O 58 H2O H1 3 0.423800 1.0079 0 - 2190 H2O 58 H2O H2 3 0.423800 1.0079 0 - 2191 H2O 59 H2O O1 4 -0.847600 15.9994 0 - 2192 H2O 59 H2O H1 3 0.423800 1.0079 0 - 2193 H2O 59 H2O H2 3 0.423800 1.0079 0 - 2194 H2O 60 H2O O1 4 -0.847600 15.9994 0 - 2195 H2O 60 H2O H1 3 0.423800 1.0079 0 - 2196 H2O 60 H2O H2 3 0.423800 1.0079 0 - 2197 H2O 61 H2O O1 4 -0.847600 15.9994 0 - 2198 H2O 61 H2O H1 3 0.423800 1.0079 0 - 2199 H2O 61 H2O H2 3 0.423800 1.0079 0 - 2200 H2O 62 H2O O1 4 -0.847600 15.9994 0 - 2201 H2O 62 H2O H1 3 0.423800 1.0079 0 - 2202 H2O 62 H2O H2 3 0.423800 1.0079 0 - 2203 H2O 63 H2O O1 4 -0.847600 15.9994 0 - 2204 H2O 63 H2O H1 3 0.423800 1.0079 0 - 2205 H2O 63 H2O H2 3 0.423800 1.0079 0 - 2206 H2O 64 H2O O1 4 -0.847600 15.9994 0 - 2207 H2O 64 H2O H1 3 0.423800 1.0079 0 - 2208 H2O 64 H2O H2 3 0.423800 1.0079 0 - 2209 H2O 65 H2O O1 4 -0.847600 15.9994 0 - 2210 H2O 65 H2O H1 3 0.423800 1.0079 0 - 2211 H2O 65 H2O H2 3 0.423800 1.0079 0 - 2212 H2O 66 H2O O1 4 -0.847600 15.9994 0 - 2213 H2O 66 H2O H1 3 0.423800 1.0079 0 - 2214 H2O 66 H2O H2 3 0.423800 1.0079 0 - 2215 H2O 67 H2O O1 4 -0.847600 15.9994 0 - 2216 H2O 67 H2O H1 3 0.423800 1.0079 0 - 2217 H2O 67 H2O H2 3 0.423800 1.0079 0 - 2218 H2O 68 H2O O1 4 -0.847600 15.9994 0 - 2219 H2O 68 H2O H1 3 0.423800 1.0079 0 - 2220 H2O 68 H2O H2 3 0.423800 1.0079 0 - 2221 H2O 69 H2O O1 4 -0.847600 15.9994 0 - 2222 H2O 69 H2O H1 3 0.423800 1.0079 0 - 2223 H2O 69 H2O H2 3 0.423800 1.0079 0 - 2224 H2O 70 H2O O1 4 -0.847600 15.9994 0 - 2225 H2O 70 H2O H1 3 0.423800 1.0079 0 - 2226 H2O 70 H2O H2 3 0.423800 1.0079 0 - 2227 H2O 71 H2O O1 4 -0.847600 15.9994 0 - 2228 H2O 71 H2O H1 3 0.423800 1.0079 0 - 2229 H2O 71 H2O H2 3 0.423800 1.0079 0 - 2230 H2O 72 H2O O1 4 -0.847600 15.9994 0 - 2231 H2O 72 H2O H1 3 0.423800 1.0079 0 - 2232 H2O 72 H2O H2 3 0.423800 1.0079 0 - 2233 H2O 73 H2O O1 4 -0.847600 15.9994 0 - 2234 H2O 73 H2O H1 3 0.423800 1.0079 0 - 2235 H2O 73 H2O H2 3 0.423800 1.0079 0 - 2236 H2O 74 H2O O1 4 -0.847600 15.9994 0 - 2237 H2O 74 H2O H1 3 0.423800 1.0079 0 - 2238 H2O 74 H2O H2 3 0.423800 1.0079 0 - 2239 H2O 75 H2O O1 4 -0.847600 15.9994 0 - 2240 H2O 75 H2O H1 3 0.423800 1.0079 0 - 2241 H2O 75 H2O H2 3 0.423800 1.0079 0 - 2242 H2O 76 H2O O1 4 -0.847600 15.9994 0 - 2243 H2O 76 H2O H1 3 0.423800 1.0079 0 - 2244 H2O 76 H2O H2 3 0.423800 1.0079 0 - 2245 H2O 77 H2O O1 4 -0.847600 15.9994 0 - 2246 H2O 77 H2O H1 3 0.423800 1.0079 0 - 2247 H2O 77 H2O H2 3 0.423800 1.0079 0 - 2248 H2O 78 H2O O1 4 -0.847600 15.9994 0 - 2249 H2O 78 H2O H1 3 0.423800 1.0079 0 - 2250 H2O 78 H2O H2 3 0.423800 1.0079 0 - 2251 H2O 79 H2O O1 4 -0.847600 15.9994 0 - 2252 H2O 79 H2O H1 3 0.423800 1.0079 0 - 2253 H2O 79 H2O H2 3 0.423800 1.0079 0 - 2254 H2O 80 H2O O1 4 -0.847600 15.9994 0 - 2255 H2O 80 H2O H1 3 0.423800 1.0079 0 - 2256 H2O 80 H2O H2 3 0.423800 1.0079 0 - 2257 H2O 81 H2O O1 4 -0.847600 15.9994 0 - 2258 H2O 81 H2O H1 3 0.423800 1.0079 0 - 2259 H2O 81 H2O H2 3 0.423800 1.0079 0 - 2260 H2O 82 H2O O1 4 -0.847600 15.9994 0 - 2261 H2O 82 H2O H1 3 0.423800 1.0079 0 - 2262 H2O 82 H2O H2 3 0.423800 1.0079 0 - 2263 H2O 83 H2O O1 4 -0.847600 15.9994 0 - 2264 H2O 83 H2O H1 3 0.423800 1.0079 0 - 2265 H2O 83 H2O H2 3 0.423800 1.0079 0 - 2266 H2O 84 H2O O1 4 -0.847600 15.9994 0 - 2267 H2O 84 H2O H1 3 0.423800 1.0079 0 - 2268 H2O 84 H2O H2 3 0.423800 1.0079 0 - 2269 H2O 85 H2O O1 4 -0.847600 15.9994 0 - 2270 H2O 85 H2O H1 3 0.423800 1.0079 0 - 2271 H2O 85 H2O H2 3 0.423800 1.0079 0 - 2272 H2O 86 H2O O1 4 -0.847600 15.9994 0 - 2273 H2O 86 H2O H1 3 0.423800 1.0079 0 - 2274 H2O 86 H2O H2 3 0.423800 1.0079 0 - 2275 H2O 87 H2O O1 4 -0.847600 15.9994 0 - 2276 H2O 87 H2O H1 3 0.423800 1.0079 0 - 2277 H2O 87 H2O H2 3 0.423800 1.0079 0 - 2278 H2O 88 H2O O1 4 -0.847600 15.9994 0 - 2279 H2O 88 H2O H1 3 0.423800 1.0079 0 - 2280 H2O 88 H2O H2 3 0.423800 1.0079 0 - 2281 H2O 89 H2O O1 4 -0.847600 15.9994 0 - 2282 H2O 89 H2O H1 3 0.423800 1.0079 0 - 2283 H2O 89 H2O H2 3 0.423800 1.0079 0 - 2284 H2O 90 H2O O1 4 -0.847600 15.9994 0 - 2285 H2O 90 H2O H1 3 0.423800 1.0079 0 - 2286 H2O 90 H2O H2 3 0.423800 1.0079 0 - 2287 H2O 91 H2O O1 4 -0.847600 15.9994 0 - 2288 H2O 91 H2O H1 3 0.423800 1.0079 0 - 2289 H2O 91 H2O H2 3 0.423800 1.0079 0 - 2290 H2O 92 H2O O1 4 -0.847600 15.9994 0 - 2291 H2O 92 H2O H1 3 0.423800 1.0079 0 - 2292 H2O 92 H2O H2 3 0.423800 1.0079 0 - 2293 H2O 93 H2O O1 4 -0.847600 15.9994 0 - 2294 H2O 93 H2O H1 3 0.423800 1.0079 0 - 2295 H2O 93 H2O H2 3 0.423800 1.0079 0 - 2296 H2O 94 H2O O1 4 -0.847600 15.9994 0 - 2297 H2O 94 H2O H1 3 0.423800 1.0079 0 - 2298 H2O 94 H2O H2 3 0.423800 1.0079 0 - 2299 H2O 95 H2O O1 4 -0.847600 15.9994 0 - 2300 H2O 95 H2O H1 3 0.423800 1.0079 0 - 2301 H2O 95 H2O H2 3 0.423800 1.0079 0 - 2302 H2O 96 H2O O1 4 -0.847600 15.9994 0 - 2303 H2O 96 H2O H1 3 0.423800 1.0079 0 - 2304 H2O 96 H2O H2 3 0.423800 1.0079 0 - 2305 H2O 97 H2O O1 4 -0.847600 15.9994 0 - 2306 H2O 97 H2O H1 3 0.423800 1.0079 0 - 2307 H2O 97 H2O H2 3 0.423800 1.0079 0 - 2308 H2O 98 H2O O1 4 -0.847600 15.9994 0 - 2309 H2O 98 H2O H1 3 0.423800 1.0079 0 - 2310 H2O 98 H2O H2 3 0.423800 1.0079 0 - 2311 H2O 99 H2O O1 4 -0.847600 15.9994 0 - 2312 H2O 99 H2O H1 3 0.423800 1.0079 0 - 2313 H2O 99 H2O H2 3 0.423800 1.0079 0 - 2314 H2O 100 H2O O1 4 -0.847600 15.9994 0 - 2315 H2O 100 H2O H1 3 0.423800 1.0079 0 - 2316 H2O 100 H2O H2 3 0.423800 1.0079 0 - 2317 H2O 101 H2O O1 4 -0.847600 15.9994 0 - 2318 H2O 101 H2O H1 3 0.423800 1.0079 0 - 2319 H2O 101 H2O H2 3 0.423800 1.0079 0 - 2320 H2O 102 H2O O1 4 -0.847600 15.9994 0 - 2321 H2O 102 H2O H1 3 0.423800 1.0079 0 - 2322 H2O 102 H2O H2 3 0.423800 1.0079 0 - 2323 H2O 103 H2O O1 4 -0.847600 15.9994 0 - 2324 H2O 103 H2O H1 3 0.423800 1.0079 0 - 2325 H2O 103 H2O H2 3 0.423800 1.0079 0 - 2326 H2O 104 H2O O1 4 -0.847600 15.9994 0 - 2327 H2O 104 H2O H1 3 0.423800 1.0079 0 - 2328 H2O 104 H2O H2 3 0.423800 1.0079 0 - 2329 H2O 105 H2O O1 4 -0.847600 15.9994 0 - 2330 H2O 105 H2O H1 3 0.423800 1.0079 0 - 2331 H2O 105 H2O H2 3 0.423800 1.0079 0 - 2332 H2O 106 H2O O1 4 -0.847600 15.9994 0 - 2333 H2O 106 H2O H1 3 0.423800 1.0079 0 - 2334 H2O 106 H2O H2 3 0.423800 1.0079 0 - 2335 H2O 107 H2O O1 4 -0.847600 15.9994 0 - 2336 H2O 107 H2O H1 3 0.423800 1.0079 0 - 2337 H2O 107 H2O H2 3 0.423800 1.0079 0 - 2338 H2O 108 H2O O1 4 -0.847600 15.9994 0 - 2339 H2O 108 H2O H1 3 0.423800 1.0079 0 - 2340 H2O 108 H2O H2 3 0.423800 1.0079 0 - 2341 H2O 109 H2O O1 4 -0.847600 15.9994 0 - 2342 H2O 109 H2O H1 3 0.423800 1.0079 0 - 2343 H2O 109 H2O H2 3 0.423800 1.0079 0 - 2344 H2O 110 H2O O1 4 -0.847600 15.9994 0 - 2345 H2O 110 H2O H1 3 0.423800 1.0079 0 - 2346 H2O 110 H2O H2 3 0.423800 1.0079 0 - 2347 H2O 111 H2O O1 4 -0.847600 15.9994 0 - 2348 H2O 111 H2O H1 3 0.423800 1.0079 0 - 2349 H2O 111 H2O H2 3 0.423800 1.0079 0 - 2350 H2O 112 H2O O1 4 -0.847600 15.9994 0 - 2351 H2O 112 H2O H1 3 0.423800 1.0079 0 - 2352 H2O 112 H2O H2 3 0.423800 1.0079 0 - 2353 H2O 113 H2O O1 4 -0.847600 15.9994 0 - 2354 H2O 113 H2O H1 3 0.423800 1.0079 0 - 2355 H2O 113 H2O H2 3 0.423800 1.0079 0 - 2356 H2O 114 H2O O1 4 -0.847600 15.9994 0 - 2357 H2O 114 H2O H1 3 0.423800 1.0079 0 - 2358 H2O 114 H2O H2 3 0.423800 1.0079 0 - 2359 H2O 115 H2O O1 4 -0.847600 15.9994 0 - 2360 H2O 115 H2O H1 3 0.423800 1.0079 0 - 2361 H2O 115 H2O H2 3 0.423800 1.0079 0 - 2362 H2O 116 H2O O1 4 -0.847600 15.9994 0 - 2363 H2O 116 H2O H1 3 0.423800 1.0079 0 - 2364 H2O 116 H2O H2 3 0.423800 1.0079 0 - 2365 H2O 117 H2O O1 4 -0.847600 15.9994 0 - 2366 H2O 117 H2O H1 3 0.423800 1.0079 0 - 2367 H2O 117 H2O H2 3 0.423800 1.0079 0 - 2368 H2O 118 H2O O1 4 -0.847600 15.9994 0 - 2369 H2O 118 H2O H1 3 0.423800 1.0079 0 - 2370 H2O 118 H2O H2 3 0.423800 1.0079 0 - 2371 H2O 119 H2O O1 4 -0.847600 15.9994 0 - 2372 H2O 119 H2O H1 3 0.423800 1.0079 0 - 2373 H2O 119 H2O H2 3 0.423800 1.0079 0 - 2374 H2O 120 H2O O1 4 -0.847600 15.9994 0 - 2375 H2O 120 H2O H1 3 0.423800 1.0079 0 - 2376 H2O 120 H2O H2 3 0.423800 1.0079 0 - 2377 H2O 121 H2O O1 4 -0.847600 15.9994 0 - 2378 H2O 121 H2O H1 3 0.423800 1.0079 0 - 2379 H2O 121 H2O H2 3 0.423800 1.0079 0 - 2380 H2O 122 H2O O1 4 -0.847600 15.9994 0 - 2381 H2O 122 H2O H1 3 0.423800 1.0079 0 - 2382 H2O 122 H2O H2 3 0.423800 1.0079 0 - 2383 H2O 123 H2O O1 4 -0.847600 15.9994 0 - 2384 H2O 123 H2O H1 3 0.423800 1.0079 0 - 2385 H2O 123 H2O H2 3 0.423800 1.0079 0 - 2386 H2O 124 H2O O1 4 -0.847600 15.9994 0 - 2387 H2O 124 H2O H1 3 0.423800 1.0079 0 - 2388 H2O 124 H2O H2 3 0.423800 1.0079 0 - 2389 H2O 125 H2O O1 4 -0.847600 15.9994 0 - 2390 H2O 125 H2O H1 3 0.423800 1.0079 0 - 2391 H2O 125 H2O H2 3 0.423800 1.0079 0 - 2392 H2O 126 H2O O1 4 -0.847600 15.9994 0 - 2393 H2O 126 H2O H1 3 0.423800 1.0079 0 - 2394 H2O 126 H2O H2 3 0.423800 1.0079 0 - 2395 H2O 127 H2O O1 4 -0.847600 15.9994 0 - 2396 H2O 127 H2O H1 3 0.423800 1.0079 0 - 2397 H2O 127 H2O H2 3 0.423800 1.0079 0 - 2398 H2O 128 H2O O1 4 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H2 3 0.423800 1.0079 0 - 2446 H2O 144 H2O O1 4 -0.847600 15.9994 0 - 2447 H2O 144 H2O H1 3 0.423800 1.0079 0 - 2448 H2O 144 H2O H2 3 0.423800 1.0079 0 - 2449 H2O 145 H2O O1 4 -0.847600 15.9994 0 - 2450 H2O 145 H2O H1 3 0.423800 1.0079 0 - 2451 H2O 145 H2O H2 3 0.423800 1.0079 0 - 2452 H2O 146 H2O O1 4 -0.847600 15.9994 0 - 2453 H2O 146 H2O H1 3 0.423800 1.0079 0 - 2454 H2O 146 H2O H2 3 0.423800 1.0079 0 - 2455 H2O 147 H2O O1 4 -0.847600 15.9994 0 - 2456 H2O 147 H2O H1 3 0.423800 1.0079 0 - 2457 H2O 147 H2O H2 3 0.423800 1.0079 0 - 2458 H2O 148 H2O O1 4 -0.847600 15.9994 0 - 2459 H2O 148 H2O H1 3 0.423800 1.0079 0 - 2460 H2O 148 H2O H2 3 0.423800 1.0079 0 - 2461 H2O 149 H2O O1 4 -0.847600 15.9994 0 - 2462 H2O 149 H2O H1 3 0.423800 1.0079 0 - 2463 H2O 149 H2O H2 3 0.423800 1.0079 0 - 2464 H2O 150 H2O O1 4 -0.847600 15.9994 0 - 2465 H2O 150 H2O H1 3 0.423800 1.0079 0 - 2466 H2O 150 H2O H2 3 0.423800 1.0079 0 - 2467 H2O 151 H2O O1 4 -0.847600 15.9994 0 - 2468 H2O 151 H2O H1 3 0.423800 1.0079 0 - 2469 H2O 151 H2O H2 3 0.423800 1.0079 0 - 2470 H2O 152 H2O O1 4 -0.847600 15.9994 0 - 2471 H2O 152 H2O H1 3 0.423800 1.0079 0 - 2472 H2O 152 H2O H2 3 0.423800 1.0079 0 - 2473 H2O 153 H2O O1 4 -0.847600 15.9994 0 - 2474 H2O 153 H2O H1 3 0.423800 1.0079 0 - 2475 H2O 153 H2O H2 3 0.423800 1.0079 0 - 2476 H2O 154 H2O O1 4 -0.847600 15.9994 0 - 2477 H2O 154 H2O H1 3 0.423800 1.0079 0 - 2478 H2O 154 H2O H2 3 0.423800 1.0079 0 - 2479 H2O 155 H2O O1 4 -0.847600 15.9994 0 - 2480 H2O 155 H2O H1 3 0.423800 1.0079 0 - 2481 H2O 155 H2O H2 3 0.423800 1.0079 0 - 2482 H2O 156 H2O O1 4 -0.847600 15.9994 0 - 2483 H2O 156 H2O H1 3 0.423800 1.0079 0 - 2484 H2O 156 H2O H2 3 0.423800 1.0079 0 - 2485 H2O 157 H2O O1 4 -0.847600 15.9994 0 - 2486 H2O 157 H2O H1 3 0.423800 1.0079 0 - 2487 H2O 157 H2O H2 3 0.423800 1.0079 0 - 2488 H2O 158 H2O O1 4 -0.847600 15.9994 0 - 2489 H2O 158 H2O H1 3 0.423800 1.0079 0 - 2490 H2O 158 H2O H2 3 0.423800 1.0079 0 - 2491 H2O 159 H2O O1 4 -0.847600 15.9994 0 - 2492 H2O 159 H2O H1 3 0.423800 1.0079 0 - 2493 H2O 159 H2O H2 3 0.423800 1.0079 0 - 2494 H2O 160 H2O O1 4 -0.847600 15.9994 0 - 2495 H2O 160 H2O H1 3 0.423800 1.0079 0 - 2496 H2O 160 H2O H2 3 0.423800 1.0079 0 - 2497 H2O 161 H2O O1 4 -0.847600 15.9994 0 - 2498 H2O 161 H2O H1 3 0.423800 1.0079 0 - 2499 H2O 161 H2O H2 3 0.423800 1.0079 0 - 2500 H2O 162 H2O O1 4 -0.847600 15.9994 0 - 2501 H2O 162 H2O H1 3 0.423800 1.0079 0 - 2502 H2O 162 H2O H2 3 0.423800 1.0079 0 - 2503 H2O 163 H2O O1 4 -0.847600 15.9994 0 - 2504 H2O 163 H2O H1 3 0.423800 1.0079 0 - 2505 H2O 163 H2O H2 3 0.423800 1.0079 0 - 2506 H2O 164 H2O O1 4 -0.847600 15.9994 0 - 2507 H2O 164 H2O H1 3 0.423800 1.0079 0 - 2508 H2O 164 H2O H2 3 0.423800 1.0079 0 - 2509 H2O 165 H2O O1 4 -0.847600 15.9994 0 - 2510 H2O 165 H2O H1 3 0.423800 1.0079 0 - 2511 H2O 165 H2O H2 3 0.423800 1.0079 0 - 2512 H2O 166 H2O O1 4 -0.847600 15.9994 0 - 2513 H2O 166 H2O H1 3 0.423800 1.0079 0 - 2514 H2O 166 H2O H2 3 0.423800 1.0079 0 - 2515 H2O 167 H2O O1 4 -0.847600 15.9994 0 - 2516 H2O 167 H2O H1 3 0.423800 1.0079 0 - 2517 H2O 167 H2O H2 3 0.423800 1.0079 0 - 2518 H2O 168 H2O O1 4 -0.847600 15.9994 0 - 2519 H2O 168 H2O H1 3 0.423800 1.0079 0 - 2520 H2O 168 H2O H2 3 0.423800 1.0079 0 - 2521 H2O 169 H2O O1 4 -0.847600 15.9994 0 - 2522 H2O 169 H2O H1 3 0.423800 1.0079 0 - 2523 H2O 169 H2O H2 3 0.423800 1.0079 0 - 2524 H2O 170 H2O O1 4 -0.847600 15.9994 0 - 2525 H2O 170 H2O H1 3 0.423800 1.0079 0 - 2526 H2O 170 H2O H2 3 0.423800 1.0079 0 - 2527 H2O 171 H2O O1 4 -0.847600 15.9994 0 - 2528 H2O 171 H2O H1 3 0.423800 1.0079 0 - 2529 H2O 171 H2O H2 3 0.423800 1.0079 0 - 2530 H2O 172 H2O O1 4 -0.847600 15.9994 0 - 2531 H2O 172 H2O H1 3 0.423800 1.0079 0 - 2532 H2O 172 H2O H2 3 0.423800 1.0079 0 - 2533 H2O 173 H2O O1 4 -0.847600 15.9994 0 - 2534 H2O 173 H2O H1 3 0.423800 1.0079 0 - 2535 H2O 173 H2O H2 3 0.423800 1.0079 0 - 2536 H2O 174 H2O O1 4 -0.847600 15.9994 0 - 2537 H2O 174 H2O H1 3 0.423800 1.0079 0 - 2538 H2O 174 H2O H2 3 0.423800 1.0079 0 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H2 3 0.423800 1.0079 0 - 2563 H2O 183 H2O O1 4 -0.847600 15.9994 0 - 2564 H2O 183 H2O H1 3 0.423800 1.0079 0 - 2565 H2O 183 H2O H2 3 0.423800 1.0079 0 - 2566 H2O 184 H2O O1 4 -0.847600 15.9994 0 - 2567 H2O 184 H2O H1 3 0.423800 1.0079 0 - 2568 H2O 184 H2O H2 3 0.423800 1.0079 0 - 2569 H2O 185 H2O O1 4 -0.847600 15.9994 0 - 2570 H2O 185 H2O H1 3 0.423800 1.0079 0 - 2571 H2O 185 H2O H2 3 0.423800 1.0079 0 - 2572 H2O 186 H2O O1 4 -0.847600 15.9994 0 - 2573 H2O 186 H2O H1 3 0.423800 1.0079 0 - 2574 H2O 186 H2O H2 3 0.423800 1.0079 0 - 2575 H2O 187 H2O O1 4 -0.847600 15.9994 0 - 2576 H2O 187 H2O H1 3 0.423800 1.0079 0 - 2577 H2O 187 H2O H2 3 0.423800 1.0079 0 - 2578 H2O 188 H2O O1 4 -0.847600 15.9994 0 - 2579 H2O 188 H2O H1 3 0.423800 1.0079 0 - 2580 H2O 188 H2O H2 3 0.423800 1.0079 0 - 2581 H2O 189 H2O O1 4 -0.847600 15.9994 0 - 2582 H2O 189 H2O H1 3 0.423800 1.0079 0 - 2583 H2O 189 H2O H2 3 0.423800 1.0079 0 - 2584 H2O 190 H2O O1 4 -0.847600 15.9994 0 - 2585 H2O 190 H2O H1 3 0.423800 1.0079 0 - 2586 H2O 190 H2O H2 3 0.423800 1.0079 0 - 2587 H2O 191 H2O O1 4 -0.847600 15.9994 0 - 2588 H2O 191 H2O H1 3 0.423800 1.0079 0 - 2589 H2O 191 H2O H2 3 0.423800 1.0079 0 - 2590 H2O 192 H2O O1 4 -0.847600 15.9994 0 - 2591 H2O 192 H2O H1 3 0.423800 1.0079 0 - 2592 H2O 192 H2O H2 3 0.423800 1.0079 0 - 2593 H2O 193 H2O O1 4 -0.847600 15.9994 0 - 2594 H2O 193 H2O H1 3 0.423800 1.0079 0 - 2595 H2O 193 H2O H2 3 0.423800 1.0079 0 - 2596 H2O 194 H2O O1 4 -0.847600 15.9994 0 - 2597 H2O 194 H2O H1 3 0.423800 1.0079 0 - 2598 H2O 194 H2O H2 3 0.423800 1.0079 0 - 2599 H2O 195 H2O O1 4 -0.847600 15.9994 0 - 2600 H2O 195 H2O H1 3 0.423800 1.0079 0 - 2601 H2O 195 H2O H2 3 0.423800 1.0079 0 - 2602 H2O 196 H2O O1 4 -0.847600 15.9994 0 - 2603 H2O 196 H2O H1 3 0.423800 1.0079 0 - 2604 H2O 196 H2O H2 3 0.423800 1.0079 0 - 2605 H2O 197 H2O O1 4 -0.847600 15.9994 0 - 2606 H2O 197 H2O H1 3 0.423800 1.0079 0 - 2607 H2O 197 H2O H2 3 0.423800 1.0079 0 - 2608 H2O 198 H2O O1 4 -0.847600 15.9994 0 - 2609 H2O 198 H2O H1 3 0.423800 1.0079 0 - 2610 H2O 198 H2O H2 3 0.423800 1.0079 0 - 2611 H2O 199 H2O O1 4 -0.847600 15.9994 0 - 2612 H2O 199 H2O H1 3 0.423800 1.0079 0 - 2613 H2O 199 H2O H2 3 0.423800 1.0079 0 - 2614 H2O 200 H2O O1 4 -0.847600 15.9994 0 - 2615 H2O 200 H2O H1 3 0.423800 1.0079 0 - 2616 H2O 200 H2O H2 3 0.423800 1.0079 0 - 2617 H2O 201 H2O O1 4 -0.847600 15.9994 0 - 2618 H2O 201 H2O H1 3 0.423800 1.0079 0 - 2619 H2O 201 H2O H2 3 0.423800 1.0079 0 - 2620 H2O 202 H2O O1 4 -0.847600 15.9994 0 - 2621 H2O 202 H2O H1 3 0.423800 1.0079 0 - 2622 H2O 202 H2O H2 3 0.423800 1.0079 0 - 2623 H2O 203 H2O O1 4 -0.847600 15.9994 0 - 2624 H2O 203 H2O H1 3 0.423800 1.0079 0 - 2625 H2O 203 H2O H2 3 0.423800 1.0079 0 - 2626 H2O 204 H2O O1 4 -0.847600 15.9994 0 - 2627 H2O 204 H2O H1 3 0.423800 1.0079 0 - 2628 H2O 204 H2O H2 3 0.423800 1.0079 0 - 2629 H2O 205 H2O O1 4 -0.847600 15.9994 0 - 2630 H2O 205 H2O H1 3 0.423800 1.0079 0 - 2631 H2O 205 H2O H2 3 0.423800 1.0079 0 - 2632 H2O 206 H2O O1 4 -0.847600 15.9994 0 - 2633 H2O 206 H2O H1 3 0.423800 1.0079 0 - 2634 H2O 206 H2O H2 3 0.423800 1.0079 0 - 2635 H2O 207 H2O O1 4 -0.847600 15.9994 0 - 2636 H2O 207 H2O H1 3 0.423800 1.0079 0 - 2637 H2O 207 H2O H2 3 0.423800 1.0079 0 - 2638 H2O 208 H2O O1 4 -0.847600 15.9994 0 - 2639 H2O 208 H2O H1 3 0.423800 1.0079 0 - 2640 H2O 208 H2O H2 3 0.423800 1.0079 0 - 2641 H2O 209 H2O O1 4 -0.847600 15.9994 0 - 2642 H2O 209 H2O H1 3 0.423800 1.0079 0 - 2643 H2O 209 H2O H2 3 0.423800 1.0079 0 - 2644 H2O 210 H2O O1 4 -0.847600 15.9994 0 - 2645 H2O 210 H2O H1 3 0.423800 1.0079 0 - 2646 H2O 210 H2O H2 3 0.423800 1.0079 0 - 2647 H2O 211 H2O O1 4 -0.847600 15.9994 0 - 2648 H2O 211 H2O H1 3 0.423800 1.0079 0 - 2649 H2O 211 H2O H2 3 0.423800 1.0079 0 - 2650 H2O 212 H2O O1 4 -0.847600 15.9994 0 - 2651 H2O 212 H2O H1 3 0.423800 1.0079 0 - 2652 H2O 212 H2O H2 3 0.423800 1.0079 0 - 2653 H2O 213 H2O O1 4 -0.847600 15.9994 0 - 2654 H2O 213 H2O H1 3 0.423800 1.0079 0 - 2655 H2O 213 H2O H2 3 0.423800 1.0079 0 - 2656 H2O 214 H2O O1 4 -0.847600 15.9994 0 - 2657 H2O 214 H2O H1 3 0.423800 1.0079 0 - 2658 H2O 214 H2O H2 3 0.423800 1.0079 0 - 2659 H2O 215 H2O O1 4 -0.847600 15.9994 0 - 2660 H2O 215 H2O H1 3 0.423800 1.0079 0 - 2661 H2O 215 H2O H2 3 0.423800 1.0079 0 - 2662 H2O 216 H2O O1 4 -0.847600 15.9994 0 - 2663 H2O 216 H2O H1 3 0.423800 1.0079 0 - 2664 H2O 216 H2O H2 3 0.423800 1.0079 0 - 2665 H2O 217 H2O O1 4 -0.847600 15.9994 0 - 2666 H2O 217 H2O H1 3 0.423800 1.0079 0 - 2667 H2O 217 H2O H2 3 0.423800 1.0079 0 - 2668 H2O 218 H2O O1 4 -0.847600 15.9994 0 - 2669 H2O 218 H2O H1 3 0.423800 1.0079 0 - 2670 H2O 218 H2O H2 3 0.423800 1.0079 0 - 2671 H2O 219 H2O O1 4 -0.847600 15.9994 0 - 2672 H2O 219 H2O H1 3 0.423800 1.0079 0 - 2673 H2O 219 H2O H2 3 0.423800 1.0079 0 - 2674 H2O 220 H2O O1 4 -0.847600 15.9994 0 - 2675 H2O 220 H2O H1 3 0.423800 1.0079 0 - 2676 H2O 220 H2O H2 3 0.423800 1.0079 0 - 2677 H2O 221 H2O O1 4 -0.847600 15.9994 0 - 2678 H2O 221 H2O H1 3 0.423800 1.0079 0 - 2679 H2O 221 H2O H2 3 0.423800 1.0079 0 - 2680 H2O 222 H2O O1 4 -0.847600 15.9994 0 - 2681 H2O 222 H2O H1 3 0.423800 1.0079 0 - 2682 H2O 222 H2O H2 3 0.423800 1.0079 0 - 2683 H2O 223 H2O O1 4 -0.847600 15.9994 0 - 2684 H2O 223 H2O H1 3 0.423800 1.0079 0 - 2685 H2O 223 H2O H2 3 0.423800 1.0079 0 - 2686 H2O 224 H2O O1 4 -0.847600 15.9994 0 - 2687 H2O 224 H2O H1 3 0.423800 1.0079 0 - 2688 H2O 224 H2O H2 3 0.423800 1.0079 0 - 2689 H2O 225 H2O O1 4 -0.847600 15.9994 0 - 2690 H2O 225 H2O H1 3 0.423800 1.0079 0 - 2691 H2O 225 H2O H2 3 0.423800 1.0079 0 - 2692 H2O 226 H2O O1 4 -0.847600 15.9994 0 - 2693 H2O 226 H2O H1 3 0.423800 1.0079 0 - 2694 H2O 226 H2O H2 3 0.423800 1.0079 0 - 2695 H2O 227 H2O O1 4 -0.847600 15.9994 0 - 2696 H2O 227 H2O H1 3 0.423800 1.0079 0 - 2697 H2O 227 H2O H2 3 0.423800 1.0079 0 - 2698 H2O 228 H2O O1 4 -0.847600 15.9994 0 - 2699 H2O 228 H2O H1 3 0.423800 1.0079 0 - 2700 H2O 228 H2O H2 3 0.423800 1.0079 0 - 2701 H2O 229 H2O O1 4 -0.847600 15.9994 0 - 2702 H2O 229 H2O H1 3 0.423800 1.0079 0 - 2703 H2O 229 H2O H2 3 0.423800 1.0079 0 - 2704 H2O 230 H2O O1 4 -0.847600 15.9994 0 - 2705 H2O 230 H2O H1 3 0.423800 1.0079 0 - 2706 H2O 230 H2O H2 3 0.423800 1.0079 0 - 2707 H2O 231 H2O O1 4 -0.847600 15.9994 0 - 2708 H2O 231 H2O H1 3 0.423800 1.0079 0 - 2709 H2O 231 H2O H2 3 0.423800 1.0079 0 - 2710 H2O 232 H2O O1 4 -0.847600 15.9994 0 - 2711 H2O 232 H2O H1 3 0.423800 1.0079 0 - 2712 H2O 232 H2O H2 3 0.423800 1.0079 0 - 2713 H2O 233 H2O O1 4 -0.847600 15.9994 0 - 2714 H2O 233 H2O H1 3 0.423800 1.0079 0 - 2715 H2O 233 H2O H2 3 0.423800 1.0079 0 - 2716 H2O 234 H2O O1 4 -0.847600 15.9994 0 - 2717 H2O 234 H2O H1 3 0.423800 1.0079 0 - 2718 H2O 234 H2O H2 3 0.423800 1.0079 0 - 2719 H2O 235 H2O O1 4 -0.847600 15.9994 0 - 2720 H2O 235 H2O H1 3 0.423800 1.0079 0 - 2721 H2O 235 H2O H2 3 0.423800 1.0079 0 - 2722 H2O 236 H2O O1 4 -0.847600 15.9994 0 - 2723 H2O 236 H2O H1 3 0.423800 1.0079 0 - 2724 H2O 236 H2O H2 3 0.423800 1.0079 0 - 2725 H2O 237 H2O O1 4 -0.847600 15.9994 0 - 2726 H2O 237 H2O H1 3 0.423800 1.0079 0 - 2727 H2O 237 H2O H2 3 0.423800 1.0079 0 - 2728 H2O 238 H2O O1 4 -0.847600 15.9994 0 - 2729 H2O 238 H2O H1 3 0.423800 1.0079 0 - 2730 H2O 238 H2O H2 3 0.423800 1.0079 0 - 2731 H2O 239 H2O O1 4 -0.847600 15.9994 0 - 2732 H2O 239 H2O H1 3 0.423800 1.0079 0 - 2733 H2O 239 H2O H2 3 0.423800 1.0079 0 - 2734 H2O 240 H2O O1 4 -0.847600 15.9994 0 - 2735 H2O 240 H2O H1 3 0.423800 1.0079 0 - 2736 H2O 240 H2O H2 3 0.423800 1.0079 0 - 2737 H2O 241 H2O O1 4 -0.847600 15.9994 0 - 2738 H2O 241 H2O H1 3 0.423800 1.0079 0 - 2739 H2O 241 H2O H2 3 0.423800 1.0079 0 - 2740 H2O 242 H2O O1 4 -0.847600 15.9994 0 - 2741 H2O 242 H2O H1 3 0.423800 1.0079 0 - 2742 H2O 242 H2O H2 3 0.423800 1.0079 0 - 2743 H2O 243 H2O O1 4 -0.847600 15.9994 0 - 2744 H2O 243 H2O H1 3 0.423800 1.0079 0 - 2745 H2O 243 H2O H2 3 0.423800 1.0079 0 - 2746 H2O 244 H2O O1 4 -0.847600 15.9994 0 - 2747 H2O 244 H2O H1 3 0.423800 1.0079 0 - 2748 H2O 244 H2O H2 3 0.423800 1.0079 0 - 2749 H2O 245 H2O O1 4 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H2 3 0.423800 1.0079 0 - 2797 H2O 261 H2O O1 4 -0.847600 15.9994 0 - 2798 H2O 261 H2O H1 3 0.423800 1.0079 0 - 2799 H2O 261 H2O H2 3 0.423800 1.0079 0 - 2800 H2O 262 H2O O1 4 -0.847600 15.9994 0 - 2801 H2O 262 H2O H1 3 0.423800 1.0079 0 - 2802 H2O 262 H2O H2 3 0.423800 1.0079 0 - 2803 H2O 263 H2O O1 4 -0.847600 15.9994 0 - 2804 H2O 263 H2O H1 3 0.423800 1.0079 0 - 2805 H2O 263 H2O H2 3 0.423800 1.0079 0 - 2806 H2O 264 H2O O1 4 -0.847600 15.9994 0 - 2807 H2O 264 H2O H1 3 0.423800 1.0079 0 - 2808 H2O 264 H2O H2 3 0.423800 1.0079 0 - 2809 H2O 265 H2O O1 4 -0.847600 15.9994 0 - 2810 H2O 265 H2O H1 3 0.423800 1.0079 0 - 2811 H2O 265 H2O H2 3 0.423800 1.0079 0 - 2812 H2O 266 H2O O1 4 -0.847600 15.9994 0 - 2813 H2O 266 H2O H1 3 0.423800 1.0079 0 - 2814 H2O 266 H2O H2 3 0.423800 1.0079 0 - 2815 H2O 267 H2O O1 4 -0.847600 15.9994 0 - 2816 H2O 267 H2O H1 3 0.423800 1.0079 0 - 2817 H2O 267 H2O H2 3 0.423800 1.0079 0 - 2818 H2O 268 H2O O1 4 -0.847600 15.9994 0 - 2819 H2O 268 H2O H1 3 0.423800 1.0079 0 - 2820 H2O 268 H2O H2 3 0.423800 1.0079 0 - 2821 H2O 269 H2O O1 4 -0.847600 15.9994 0 - 2822 H2O 269 H2O H1 3 0.423800 1.0079 0 - 2823 H2O 269 H2O H2 3 0.423800 1.0079 0 - 2824 H2O 270 H2O O1 4 -0.847600 15.9994 0 - 2825 H2O 270 H2O H1 3 0.423800 1.0079 0 - 2826 H2O 270 H2O H2 3 0.423800 1.0079 0 - 2827 H2O 271 H2O O1 4 -0.847600 15.9994 0 - 2828 H2O 271 H2O H1 3 0.423800 1.0079 0 - 2829 H2O 271 H2O H2 3 0.423800 1.0079 0 - 2830 H2O 272 H2O O1 4 -0.847600 15.9994 0 - 2831 H2O 272 H2O H1 3 0.423800 1.0079 0 - 2832 H2O 272 H2O H2 3 0.423800 1.0079 0 - 2833 H2O 273 H2O O1 4 -0.847600 15.9994 0 - 2834 H2O 273 H2O H1 3 0.423800 1.0079 0 - 2835 H2O 273 H2O H2 3 0.423800 1.0079 0 - 2836 H2O 274 H2O O1 4 -0.847600 15.9994 0 - 2837 H2O 274 H2O H1 3 0.423800 1.0079 0 - 2838 H2O 274 H2O H2 3 0.423800 1.0079 0 - 2839 H2O 275 H2O O1 4 -0.847600 15.9994 0 - 2840 H2O 275 H2O H1 3 0.423800 1.0079 0 - 2841 H2O 275 H2O H2 3 0.423800 1.0079 0 - 2842 H2O 276 H2O O1 4 -0.847600 15.9994 0 - 2843 H2O 276 H2O H1 3 0.423800 1.0079 0 - 2844 H2O 276 H2O H2 3 0.423800 1.0079 0 - 2845 H2O 277 H2O O1 4 -0.847600 15.9994 0 - 2846 H2O 277 H2O H1 3 0.423800 1.0079 0 - 2847 H2O 277 H2O H2 3 0.423800 1.0079 0 - 2848 H2O 278 H2O O1 4 -0.847600 15.9994 0 - 2849 H2O 278 H2O H1 3 0.423800 1.0079 0 - 2850 H2O 278 H2O H2 3 0.423800 1.0079 0 - 2851 H2O 279 H2O O1 4 -0.847600 15.9994 0 - 2852 H2O 279 H2O H1 3 0.423800 1.0079 0 - 2853 H2O 279 H2O H2 3 0.423800 1.0079 0 - 2854 H2O 280 H2O O1 4 -0.847600 15.9994 0 - 2855 H2O 280 H2O H1 3 0.423800 1.0079 0 - 2856 H2O 280 H2O H2 3 0.423800 1.0079 0 - 2857 H2O 281 H2O O1 4 -0.847600 15.9994 0 - 2858 H2O 281 H2O H1 3 0.423800 1.0079 0 - 2859 H2O 281 H2O H2 3 0.423800 1.0079 0 - 2860 H2O 282 H2O O1 4 -0.847600 15.9994 0 - 2861 H2O 282 H2O H1 3 0.423800 1.0079 0 - 2862 H2O 282 H2O H2 3 0.423800 1.0079 0 - 2863 H2O 283 H2O O1 4 -0.847600 15.9994 0 - 2864 H2O 283 H2O H1 3 0.423800 1.0079 0 - 2865 H2O 283 H2O H2 3 0.423800 1.0079 0 - 2866 H2O 284 H2O O1 4 -0.847600 15.9994 0 - 2867 H2O 284 H2O H1 3 0.423800 1.0079 0 - 2868 H2O 284 H2O H2 3 0.423800 1.0079 0 - 2869 H2O 285 H2O O1 4 -0.847600 15.9994 0 - 2870 H2O 285 H2O H1 3 0.423800 1.0079 0 - 2871 H2O 285 H2O H2 3 0.423800 1.0079 0 - 2872 H2O 286 H2O O1 4 -0.847600 15.9994 0 - 2873 H2O 286 H2O H1 3 0.423800 1.0079 0 - 2874 H2O 286 H2O H2 3 0.423800 1.0079 0 - 2875 H2O 287 H2O O1 4 -0.847600 15.9994 0 - 2876 H2O 287 H2O H1 3 0.423800 1.0079 0 - 2877 H2O 287 H2O H2 3 0.423800 1.0079 0 - 2878 H2O 288 H2O O1 4 -0.847600 15.9994 0 - 2879 H2O 288 H2O H1 3 0.423800 1.0079 0 - 2880 H2O 288 H2O H2 3 0.423800 1.0079 0 - 2881 H2O 289 H2O O1 4 -0.847600 15.9994 0 - 2882 H2O 289 H2O H1 3 0.423800 1.0079 0 - 2883 H2O 289 H2O H2 3 0.423800 1.0079 0 - 2884 H2O 290 H2O O1 4 -0.847600 15.9994 0 - 2885 H2O 290 H2O H1 3 0.423800 1.0079 0 - 2886 H2O 290 H2O H2 3 0.423800 1.0079 0 - 2887 H2O 291 H2O O1 4 -0.847600 15.9994 0 - 2888 H2O 291 H2O H1 3 0.423800 1.0079 0 - 2889 H2O 291 H2O H2 3 0.423800 1.0079 0 - 2890 H2O 292 H2O O1 4 -0.847600 15.9994 0 - 2891 H2O 292 H2O H1 3 0.423800 1.0079 0 - 2892 H2O 292 H2O H2 3 0.423800 1.0079 0 - 2893 H2O 293 H2O O1 4 -0.847600 15.9994 0 - 2894 H2O 293 H2O H1 3 0.423800 1.0079 0 - 2895 H2O 293 H2O H2 3 0.423800 1.0079 0 - 2896 H2O 294 H2O O1 4 -0.847600 15.9994 0 - 2897 H2O 294 H2O H1 3 0.423800 1.0079 0 - 2898 H2O 294 H2O H2 3 0.423800 1.0079 0 - 2899 H2O 295 H2O O1 4 -0.847600 15.9994 0 - 2900 H2O 295 H2O H1 3 0.423800 1.0079 0 - 2901 H2O 295 H2O H2 3 0.423800 1.0079 0 - 2902 H2O 296 H2O O1 4 -0.847600 15.9994 0 - 2903 H2O 296 H2O H1 3 0.423800 1.0079 0 - 2904 H2O 296 H2O H2 3 0.423800 1.0079 0 - 2905 H2O 297 H2O O1 4 -0.847600 15.9994 0 - 2906 H2O 297 H2O H1 3 0.423800 1.0079 0 - 2907 H2O 297 H2O H2 3 0.423800 1.0079 0 - 2908 H2O 298 H2O O1 4 -0.847600 15.9994 0 - 2909 H2O 298 H2O H1 3 0.423800 1.0079 0 - 2910 H2O 298 H2O H2 3 0.423800 1.0079 0 - 2911 H2O 299 H2O O1 4 -0.847600 15.9994 0 - 2912 H2O 299 H2O H1 3 0.423800 1.0079 0 - 2913 H2O 299 H2O H2 3 0.423800 1.0079 0 - 2914 H2O 300 H2O O1 4 -0.847600 15.9994 0 - 2915 H2O 300 H2O H1 3 0.423800 1.0079 0 - 2916 H2O 300 H2O H2 3 0.423800 1.0079 0 - 2917 H2O 301 H2O O1 4 -0.847600 15.9994 0 - 2918 H2O 301 H2O H1 3 0.423800 1.0079 0 - 2919 H2O 301 H2O H2 3 0.423800 1.0079 0 - 2920 H2O 302 H2O O1 4 -0.847600 15.9994 0 - 2921 H2O 302 H2O H1 3 0.423800 1.0079 0 - 2922 H2O 302 H2O H2 3 0.423800 1.0079 0 - 2923 H2O 303 H2O O1 4 -0.847600 15.9994 0 - 2924 H2O 303 H2O H1 3 0.423800 1.0079 0 - 2925 H2O 303 H2O H2 3 0.423800 1.0079 0 - 2926 H2O 304 H2O O1 4 -0.847600 15.9994 0 - 2927 H2O 304 H2O H1 3 0.423800 1.0079 0 - 2928 H2O 304 H2O H2 3 0.423800 1.0079 0 - 2929 H2O 305 H2O O1 4 -0.847600 15.9994 0 - 2930 H2O 305 H2O H1 3 0.423800 1.0079 0 - 2931 H2O 305 H2O H2 3 0.423800 1.0079 0 - 2932 H2O 306 H2O O1 4 -0.847600 15.9994 0 - 2933 H2O 306 H2O H1 3 0.423800 1.0079 0 - 2934 H2O 306 H2O H2 3 0.423800 1.0079 0 - 2935 H2O 307 H2O O1 4 -0.847600 15.9994 0 - 2936 H2O 307 H2O H1 3 0.423800 1.0079 0 - 2937 H2O 307 H2O H2 3 0.423800 1.0079 0 - 2938 H2O 308 H2O O1 4 -0.847600 15.9994 0 - 2939 H2O 308 H2O H1 3 0.423800 1.0079 0 - 2940 H2O 308 H2O H2 3 0.423800 1.0079 0 - 2941 H2O 309 H2O O1 4 -0.847600 15.9994 0 - 2942 H2O 309 H2O H1 3 0.423800 1.0079 0 - 2943 H2O 309 H2O H2 3 0.423800 1.0079 0 - 2944 H2O 310 H2O O1 4 -0.847600 15.9994 0 - 2945 H2O 310 H2O H1 3 0.423800 1.0079 0 - 2946 H2O 310 H2O H2 3 0.423800 1.0079 0 - 2947 H2O 311 H2O O1 4 -0.847600 15.9994 0 - 2948 H2O 311 H2O H1 3 0.423800 1.0079 0 - 2949 H2O 311 H2O H2 3 0.423800 1.0079 0 - 2950 H2O 312 H2O O1 4 -0.847600 15.9994 0 - 2951 H2O 312 H2O H1 3 0.423800 1.0079 0 - 2952 H2O 312 H2O H2 3 0.423800 1.0079 0 - 2953 H2O 313 H2O O1 4 -0.847600 15.9994 0 - 2954 H2O 313 H2O H1 3 0.423800 1.0079 0 - 2955 H2O 313 H2O H2 3 0.423800 1.0079 0 - 2956 H2O 314 H2O O1 4 -0.847600 15.9994 0 - 2957 H2O 314 H2O H1 3 0.423800 1.0079 0 - 2958 H2O 314 H2O H2 3 0.423800 1.0079 0 - 2959 H2O 315 H2O O1 4 -0.847600 15.9994 0 - 2960 H2O 315 H2O H1 3 0.423800 1.0079 0 - 2961 H2O 315 H2O H2 3 0.423800 1.0079 0 - 2962 H2O 316 H2O O1 4 -0.847600 15.9994 0 - 2963 H2O 316 H2O H1 3 0.423800 1.0079 0 - 2964 H2O 316 H2O H2 3 0.423800 1.0079 0 - 2965 H2O 317 H2O O1 4 -0.847600 15.9994 0 - 2966 H2O 317 H2O H1 3 0.423800 1.0079 0 - 2967 H2O 317 H2O H2 3 0.423800 1.0079 0 - 2968 H2O 318 H2O O1 4 -0.847600 15.9994 0 - 2969 H2O 318 H2O H1 3 0.423800 1.0079 0 - 2970 H2O 318 H2O H2 3 0.423800 1.0079 0 - 2971 H2O 319 H2O O1 4 -0.847600 15.9994 0 - 2972 H2O 319 H2O H1 3 0.423800 1.0079 0 - 2973 H2O 319 H2O H2 3 0.423800 1.0079 0 - 2974 H2O 320 H2O O1 4 -0.847600 15.9994 0 - 2975 H2O 320 H2O H1 3 0.423800 1.0079 0 - 2976 H2O 320 H2O H2 3 0.423800 1.0079 0 - 2977 H2O 321 H2O O1 4 -0.847600 15.9994 0 - 2978 H2O 321 H2O H1 3 0.423800 1.0079 0 - 2979 H2O 321 H2O H2 3 0.423800 1.0079 0 - 2980 H2O 322 H2O O1 4 -0.847600 15.9994 0 - 2981 H2O 322 H2O H1 3 0.423800 1.0079 0 - 2982 H2O 322 H2O H2 3 0.423800 1.0079 0 - 2983 H2O 323 H2O O1 4 -0.847600 15.9994 0 - 2984 H2O 323 H2O H1 3 0.423800 1.0079 0 - 2985 H2O 323 H2O H2 3 0.423800 1.0079 0 - 2986 H2O 324 H2O O1 4 -0.847600 15.9994 0 - 2987 H2O 324 H2O H1 3 0.423800 1.0079 0 - 2988 H2O 324 H2O H2 3 0.423800 1.0079 0 - 2989 H2O 325 H2O O1 4 -0.847600 15.9994 0 - 2990 H2O 325 H2O H1 3 0.423800 1.0079 0 - 2991 H2O 325 H2O H2 3 0.423800 1.0079 0 - 2992 H2O 326 H2O O1 4 -0.847600 15.9994 0 - 2993 H2O 326 H2O H1 3 0.423800 1.0079 0 - 2994 H2O 326 H2O H2 3 0.423800 1.0079 0 - 2995 H2O 327 H2O O1 4 -0.847600 15.9994 0 - 2996 H2O 327 H2O H1 3 0.423800 1.0079 0 - 2997 H2O 327 H2O H2 3 0.423800 1.0079 0 - 2998 H2O 328 H2O O1 4 -0.847600 15.9994 0 - 2999 H2O 328 H2O H1 3 0.423800 1.0079 0 - 3000 H2O 328 H2O H2 3 0.423800 1.0079 0 - 3001 H2O 329 H2O O1 4 -0.847600 15.9994 0 - 3002 H2O 329 H2O H1 3 0.423800 1.0079 0 - 3003 H2O 329 H2O H2 3 0.423800 1.0079 0 - 3004 H2O 330 H2O O1 4 -0.847600 15.9994 0 - 3005 H2O 330 H2O H1 3 0.423800 1.0079 0 - 3006 H2O 330 H2O H2 3 0.423800 1.0079 0 - 3007 H2O 331 H2O O1 4 -0.847600 15.9994 0 - 3008 H2O 331 H2O H1 3 0.423800 1.0079 0 - 3009 H2O 331 H2O H2 3 0.423800 1.0079 0 - 3010 H2O 332 H2O O1 4 -0.847600 15.9994 0 - 3011 H2O 332 H2O H1 3 0.423800 1.0079 0 - 3012 H2O 332 H2O H2 3 0.423800 1.0079 0 - 3013 H2O 333 H2O O1 4 -0.847600 15.9994 0 - 3014 H2O 333 H2O H1 3 0.423800 1.0079 0 - 3015 H2O 333 H2O H2 3 0.423800 1.0079 0 - 3016 H2O 334 H2O O1 4 -0.847600 15.9994 0 - 3017 H2O 334 H2O H1 3 0.423800 1.0079 0 - 3018 H2O 334 H2O H2 3 0.423800 1.0079 0 - 3019 H2O 335 H2O O1 4 -0.847600 15.9994 0 - 3020 H2O 335 H2O H1 3 0.423800 1.0079 0 - 3021 H2O 335 H2O H2 3 0.423800 1.0079 0 - 3022 H2O 336 H2O O1 4 -0.847600 15.9994 0 - 3023 H2O 336 H2O H1 3 0.423800 1.0079 0 - 3024 H2O 336 H2O H2 3 0.423800 1.0079 0 - 3025 H2O 337 H2O O1 4 -0.847600 15.9994 0 - 3026 H2O 337 H2O H1 3 0.423800 1.0079 0 - 3027 H2O 337 H2O H2 3 0.423800 1.0079 0 - 3028 H2O 338 H2O O1 4 -0.847600 15.9994 0 - 3029 H2O 338 H2O H1 3 0.423800 1.0079 0 - 3030 H2O 338 H2O H2 3 0.423800 1.0079 0 - 3031 H2O 339 H2O O1 4 -0.847600 15.9994 0 - 3032 H2O 339 H2O H1 3 0.423800 1.0079 0 - 3033 H2O 339 H2O H2 3 0.423800 1.0079 0 - 3034 H2O 340 H2O O1 4 -0.847600 15.9994 0 - 3035 H2O 340 H2O H1 3 0.423800 1.0079 0 - 3036 H2O 340 H2O H2 3 0.423800 1.0079 0 - 3037 H2O 341 H2O O1 4 -0.847600 15.9994 0 - 3038 H2O 341 H2O H1 3 0.423800 1.0079 0 - 3039 H2O 341 H2O H2 3 0.423800 1.0079 0 - 3040 H2O 342 H2O O1 4 -0.847600 15.9994 0 - 3041 H2O 342 H2O H1 3 0.423800 1.0079 0 - 3042 H2O 342 H2O H2 3 0.423800 1.0079 0 - 3043 H2O 343 H2O O1 4 -0.847600 15.9994 0 - 3044 H2O 343 H2O H1 3 0.423800 1.0079 0 - 3045 H2O 343 H2O H2 3 0.423800 1.0079 0 - 3046 H2O 344 H2O O1 4 -0.847600 15.9994 0 - 3047 H2O 344 H2O H1 3 0.423800 1.0079 0 - 3048 H2O 344 H2O H2 3 0.423800 1.0079 0 - 3049 H2O 345 H2O O1 4 -0.847600 15.9994 0 - 3050 H2O 345 H2O H1 3 0.423800 1.0079 0 - 3051 H2O 345 H2O H2 3 0.423800 1.0079 0 - 3052 H2O 346 H2O O1 4 -0.847600 15.9994 0 - 3053 H2O 346 H2O H1 3 0.423800 1.0079 0 - 3054 H2O 346 H2O H2 3 0.423800 1.0079 0 - 3055 H2O 347 H2O O1 4 -0.847600 15.9994 0 - 3056 H2O 347 H2O H1 3 0.423800 1.0079 0 - 3057 H2O 347 H2O H2 3 0.423800 1.0079 0 - 3058 H2O 348 H2O O1 4 -0.847600 15.9994 0 - 3059 H2O 348 H2O H1 3 0.423800 1.0079 0 - 3060 H2O 348 H2O H2 3 0.423800 1.0079 0 - 3061 H2O 349 H2O O1 4 -0.847600 15.9994 0 - 3062 H2O 349 H2O H1 3 0.423800 1.0079 0 - 3063 H2O 349 H2O H2 3 0.423800 1.0079 0 - 3064 H2O 350 H2O O1 4 -0.847600 15.9994 0 - 3065 H2O 350 H2O H1 3 0.423800 1.0079 0 - 3066 H2O 350 H2O H2 3 0.423800 1.0079 0 - 3067 H2O 351 H2O O1 4 -0.847600 15.9994 0 - 3068 H2O 351 H2O H1 3 0.423800 1.0079 0 - 3069 H2O 351 H2O H2 3 0.423800 1.0079 0 - 3070 H2O 352 H2O O1 4 -0.847600 15.9994 0 - 3071 H2O 352 H2O H1 3 0.423800 1.0079 0 - 3072 H2O 352 H2O H2 3 0.423800 1.0079 0 - 3073 H2O 353 H2O O1 4 -0.847600 15.9994 0 - 3074 H2O 353 H2O H1 3 0.423800 1.0079 0 - 3075 H2O 353 H2O H2 3 0.423800 1.0079 0 - 3076 H2O 354 H2O O1 4 -0.847600 15.9994 0 - 3077 H2O 354 H2O H1 3 0.423800 1.0079 0 - 3078 H2O 354 H2O H2 3 0.423800 1.0079 0 - 3079 H2O 355 H2O O1 4 -0.847600 15.9994 0 - 3080 H2O 355 H2O H1 3 0.423800 1.0079 0 - 3081 H2O 355 H2O H2 3 0.423800 1.0079 0 - 3082 H2O 356 H2O O1 4 -0.847600 15.9994 0 - 3083 H2O 356 H2O H1 3 0.423800 1.0079 0 - 3084 H2O 356 H2O H2 3 0.423800 1.0079 0 - 3085 H2O 357 H2O O1 4 -0.847600 15.9994 0 - 3086 H2O 357 H2O H1 3 0.423800 1.0079 0 - 3087 H2O 357 H2O H2 3 0.423800 1.0079 0 - 3088 H2O 358 H2O O1 4 -0.847600 15.9994 0 - 3089 H2O 358 H2O H1 3 0.423800 1.0079 0 - 3090 H2O 358 H2O H2 3 0.423800 1.0079 0 - 3091 H2O 359 H2O O1 4 -0.847600 15.9994 0 - 3092 H2O 359 H2O H1 3 0.423800 1.0079 0 - 3093 H2O 359 H2O H2 3 0.423800 1.0079 0 - 3094 H2O 360 H2O O1 4 -0.847600 15.9994 0 - 3095 H2O 360 H2O H1 3 0.423800 1.0079 0 - 3096 H2O 360 H2O H2 3 0.423800 1.0079 0 - 3097 H2O 361 H2O O1 4 -0.847600 15.9994 0 - 3098 H2O 361 H2O H1 3 0.423800 1.0079 0 - 3099 H2O 361 H2O H2 3 0.423800 1.0079 0 - 3100 H2O 362 H2O O1 4 -0.847600 15.9994 0 - 3101 H2O 362 H2O H1 3 0.423800 1.0079 0 - 3102 H2O 362 H2O H2 3 0.423800 1.0079 0 - 3103 H2O 363 H2O O1 4 -0.847600 15.9994 0 - 3104 H2O 363 H2O H1 3 0.423800 1.0079 0 - 3105 H2O 363 H2O H2 3 0.423800 1.0079 0 - 3106 H2O 364 H2O O1 4 -0.847600 15.9994 0 - 3107 H2O 364 H2O H1 3 0.423800 1.0079 0 - 3108 H2O 364 H2O H2 3 0.423800 1.0079 0 - 3109 H2O 365 H2O O1 4 -0.847600 15.9994 0 - 3110 H2O 365 H2O H1 3 0.423800 1.0079 0 - 3111 H2O 365 H2O H2 3 0.423800 1.0079 0 - 3112 H2O 366 H2O O1 4 -0.847600 15.9994 0 - 3113 H2O 366 H2O H1 3 0.423800 1.0079 0 - 3114 H2O 366 H2O H2 3 0.423800 1.0079 0 - 3115 H2O 367 H2O O1 4 -0.847600 15.9994 0 - 3116 H2O 367 H2O H1 3 0.423800 1.0079 0 - 3117 H2O 367 H2O H2 3 0.423800 1.0079 0 - 3118 H2O 368 H2O O1 4 -0.847600 15.9994 0 - 3119 H2O 368 H2O H1 3 0.423800 1.0079 0 - 3120 H2O 368 H2O H2 3 0.423800 1.0079 0 - 3121 H2O 369 H2O O1 4 -0.847600 15.9994 0 - 3122 H2O 369 H2O H1 3 0.423800 1.0079 0 - 3123 H2O 369 H2O H2 3 0.423800 1.0079 0 - 3124 H2O 370 H2O O1 4 -0.847600 15.9994 0 - 3125 H2O 370 H2O H1 3 0.423800 1.0079 0 - 3126 H2O 370 H2O H2 3 0.423800 1.0079 0 - 3127 H2O 371 H2O O1 4 -0.847600 15.9994 0 - 3128 H2O 371 H2O H1 3 0.423800 1.0079 0 - 3129 H2O 371 H2O H2 3 0.423800 1.0079 0 - 3130 H2O 372 H2O O1 4 -0.847600 15.9994 0 - 3131 H2O 372 H2O H1 3 0.423800 1.0079 0 - 3132 H2O 372 H2O H2 3 0.423800 1.0079 0 - 3133 H2O 373 H2O O1 4 -0.847600 15.9994 0 - 3134 H2O 373 H2O H1 3 0.423800 1.0079 0 - 3135 H2O 373 H2O H2 3 0.423800 1.0079 0 - 3136 H2O 374 H2O O1 4 -0.847600 15.9994 0 - 3137 H2O 374 H2O H1 3 0.423800 1.0079 0 - 3138 H2O 374 H2O H2 3 0.423800 1.0079 0 - 3139 H2O 375 H2O O1 4 -0.847600 15.9994 0 - 3140 H2O 375 H2O H1 3 0.423800 1.0079 0 - 3141 H2O 375 H2O H2 3 0.423800 1.0079 0 - 3142 H2O 376 H2O O1 4 -0.847600 15.9994 0 - 3143 H2O 376 H2O H1 3 0.423800 1.0079 0 - 3144 H2O 376 H2O H2 3 0.423800 1.0079 0 - 3145 H2O 377 H2O O1 4 -0.847600 15.9994 0 - 3146 H2O 377 H2O H1 3 0.423800 1.0079 0 - 3147 H2O 377 H2O H2 3 0.423800 1.0079 0 - 3148 H2O 378 H2O O1 4 -0.847600 15.9994 0 - 3149 H2O 378 H2O H1 3 0.423800 1.0079 0 - 3150 H2O 378 H2O H2 3 0.423800 1.0079 0 - 3151 H2O 379 H2O O1 4 -0.847600 15.9994 0 - 3152 H2O 379 H2O H1 3 0.423800 1.0079 0 - 3153 H2O 379 H2O H2 3 0.423800 1.0079 0 - 3154 H2O 380 H2O O1 4 -0.847600 15.9994 0 - 3155 H2O 380 H2O H1 3 0.423800 1.0079 0 - 3156 H2O 380 H2O H2 3 0.423800 1.0079 0 - 3157 H2O 381 H2O O1 4 -0.847600 15.9994 0 - 3158 H2O 381 H2O H1 3 0.423800 1.0079 0 - 3159 H2O 381 H2O H2 3 0.423800 1.0079 0 - 3160 H2O 382 H2O O1 4 -0.847600 15.9994 0 - 3161 H2O 382 H2O H1 3 0.423800 1.0079 0 - 3162 H2O 382 H2O H2 3 0.423800 1.0079 0 - 3163 H2O 383 H2O O1 4 -0.847600 15.9994 0 - 3164 H2O 383 H2O H1 3 0.423800 1.0079 0 - 3165 H2O 383 H2O H2 3 0.423800 1.0079 0 - 3166 H2O 384 H2O O1 4 -0.847600 15.9994 0 - 3167 H2O 384 H2O H1 3 0.423800 1.0079 0 - 3168 H2O 384 H2O H2 3 0.423800 1.0079 0 - 3169 H2O 385 H2O O1 4 -0.847600 15.9994 0 - 3170 H2O 385 H2O H1 3 0.423800 1.0079 0 - 3171 H2O 385 H2O H2 3 0.423800 1.0079 0 - 3172 H2O 386 H2O O1 4 -0.847600 15.9994 0 - 3173 H2O 386 H2O H1 3 0.423800 1.0079 0 - 3174 H2O 386 H2O H2 3 0.423800 1.0079 0 - 3175 H2O 387 H2O O1 4 -0.847600 15.9994 0 - 3176 H2O 387 H2O H1 3 0.423800 1.0079 0 - 3177 H2O 387 H2O H2 3 0.423800 1.0079 0 - 3178 H2O 388 H2O O1 4 -0.847600 15.9994 0 - 3179 H2O 388 H2O H1 3 0.423800 1.0079 0 - 3180 H2O 388 H2O H2 3 0.423800 1.0079 0 - 3181 H2O 389 H2O O1 4 -0.847600 15.9994 0 - 3182 H2O 389 H2O H1 3 0.423800 1.0079 0 - 3183 H2O 389 H2O H2 3 0.423800 1.0079 0 - 3184 H2O 390 H2O O1 4 -0.847600 15.9994 0 - 3185 H2O 390 H2O H1 3 0.423800 1.0079 0 - 3186 H2O 390 H2O H2 3 0.423800 1.0079 0 - 3187 H2O 391 H2O O1 4 -0.847600 15.9994 0 - 3188 H2O 391 H2O H1 3 0.423800 1.0079 0 - 3189 H2O 391 H2O H2 3 0.423800 1.0079 0 - 3190 H2O 392 H2O O1 4 -0.847600 15.9994 0 - 3191 H2O 392 H2O H1 3 0.423800 1.0079 0 - 3192 H2O 392 H2O H2 3 0.423800 1.0079 0 - 3193 H2O 393 H2O O1 4 -0.847600 15.9994 0 - 3194 H2O 393 H2O H1 3 0.423800 1.0079 0 - 3195 H2O 393 H2O H2 3 0.423800 1.0079 0 - 3196 H2O 394 H2O O1 4 -0.847600 15.9994 0 - 3197 H2O 394 H2O H1 3 0.423800 1.0079 0 - 3198 H2O 394 H2O H2 3 0.423800 1.0079 0 - 3199 H2O 395 H2O O1 4 -0.847600 15.9994 0 - 3200 H2O 395 H2O H1 3 0.423800 1.0079 0 - 3201 H2O 395 H2O H2 3 0.423800 1.0079 0 - 3202 H2O 396 H2O O1 4 -0.847600 15.9994 0 - 3203 H2O 396 H2O H1 3 0.423800 1.0079 0 - 3204 H2O 396 H2O H2 3 0.423800 1.0079 0 - 3205 H2O 397 H2O O1 4 -0.847600 15.9994 0 - 3206 H2O 397 H2O H1 3 0.423800 1.0079 0 - 3207 H2O 397 H2O H2 3 0.423800 1.0079 0 - 3208 H2O 398 H2O O1 4 -0.847600 15.9994 0 - 3209 H2O 398 H2O H1 3 0.423800 1.0079 0 - 3210 H2O 398 H2O H2 3 0.423800 1.0079 0 - 3211 H2O 399 H2O O1 4 -0.847600 15.9994 0 - 3212 H2O 399 H2O H1 3 0.423800 1.0079 0 - 3213 H2O 399 H2O H2 3 0.423800 1.0079 0 - 3214 H2O 400 H2O O1 4 -0.847600 15.9994 0 - 3215 H2O 400 H2O H1 3 0.423800 1.0079 0 - 3216 H2O 400 H2O H2 3 0.423800 1.0079 0 - 3217 H2O 401 H2O O1 4 -0.847600 15.9994 0 - 3218 H2O 401 H2O H1 3 0.423800 1.0079 0 - 3219 H2O 401 H2O H2 3 0.423800 1.0079 0 - 3220 H2O 402 H2O O1 4 -0.847600 15.9994 0 - 3221 H2O 402 H2O H1 3 0.423800 1.0079 0 - 3222 H2O 402 H2O H2 3 0.423800 1.0079 0 - 3223 H2O 403 H2O O1 4 -0.847600 15.9994 0 - 3224 H2O 403 H2O H1 3 0.423800 1.0079 0 - 3225 H2O 403 H2O H2 3 0.423800 1.0079 0 - 3226 H2O 404 H2O O1 4 -0.847600 15.9994 0 - 3227 H2O 404 H2O H1 3 0.423800 1.0079 0 - 3228 H2O 404 H2O H2 3 0.423800 1.0079 0 - 3229 H2O 405 H2O O1 4 -0.847600 15.9994 0 - 3230 H2O 405 H2O H1 3 0.423800 1.0079 0 - 3231 H2O 405 H2O H2 3 0.423800 1.0079 0 - 3232 H2O 406 H2O O1 4 -0.847600 15.9994 0 - 3233 H2O 406 H2O H1 3 0.423800 1.0079 0 - 3234 H2O 406 H2O H2 3 0.423800 1.0079 0 - 3235 H2O 407 H2O O1 4 -0.847600 15.9994 0 - 3236 H2O 407 H2O H1 3 0.423800 1.0079 0 - 3237 H2O 407 H2O H2 3 0.423800 1.0079 0 - 3238 H2O 408 H2O O1 4 -0.847600 15.9994 0 - 3239 H2O 408 H2O H1 3 0.423800 1.0079 0 - 3240 H2O 408 H2O H2 3 0.423800 1.0079 0 - 3241 H2O 409 H2O O1 4 -0.847600 15.9994 0 - 3242 H2O 409 H2O H1 3 0.423800 1.0079 0 - 3243 H2O 409 H2O H2 3 0.423800 1.0079 0 - 3244 H2O 410 H2O O1 4 -0.847600 15.9994 0 - 3245 H2O 410 H2O H1 3 0.423800 1.0079 0 - 3246 H2O 410 H2O H2 3 0.423800 1.0079 0 - 3247 H2O 411 H2O O1 4 -0.847600 15.9994 0 - 3248 H2O 411 H2O H1 3 0.423800 1.0079 0 - 3249 H2O 411 H2O H2 3 0.423800 1.0079 0 - 3250 H2O 412 H2O O1 4 -0.847600 15.9994 0 - 3251 H2O 412 H2O H1 3 0.423800 1.0079 0 - 3252 H2O 412 H2O H2 3 0.423800 1.0079 0 - 3253 H2O 413 H2O O1 4 -0.847600 15.9994 0 - 3254 H2O 413 H2O H1 3 0.423800 1.0079 0 - 3255 H2O 413 H2O H2 3 0.423800 1.0079 0 - 3256 H2O 414 H2O O1 4 -0.847600 15.9994 0 - 3257 H2O 414 H2O H1 3 0.423800 1.0079 0 - 3258 H2O 414 H2O H2 3 0.423800 1.0079 0 - 3259 H2O 415 H2O O1 4 -0.847600 15.9994 0 - 3260 H2O 415 H2O H1 3 0.423800 1.0079 0 - 3261 H2O 415 H2O H2 3 0.423800 1.0079 0 - 3262 H2O 416 H2O O1 4 -0.847600 15.9994 0 - 3263 H2O 416 H2O H1 3 0.423800 1.0079 0 - 3264 H2O 416 H2O H2 3 0.423800 1.0079 0 - 3265 H2O 417 H2O O1 4 -0.847600 15.9994 0 - 3266 H2O 417 H2O H1 3 0.423800 1.0079 0 - 3267 H2O 417 H2O H2 3 0.423800 1.0079 0 - 3268 H2O 418 H2O O1 4 -0.847600 15.9994 0 - 3269 H2O 418 H2O H1 3 0.423800 1.0079 0 - 3270 H2O 418 H2O H2 3 0.423800 1.0079 0 - 3271 H2O 419 H2O O1 4 -0.847600 15.9994 0 - 3272 H2O 419 H2O H1 3 0.423800 1.0079 0 - 3273 H2O 419 H2O H2 3 0.423800 1.0079 0 - 3274 H2O 420 H2O O1 4 -0.847600 15.9994 0 - 3275 H2O 420 H2O H1 3 0.423800 1.0079 0 - 3276 H2O 420 H2O H2 3 0.423800 1.0079 0 - 3277 H2O 421 H2O O1 4 -0.847600 15.9994 0 - 3278 H2O 421 H2O H1 3 0.423800 1.0079 0 - 3279 H2O 421 H2O H2 3 0.423800 1.0079 0 - 3280 H2O 422 H2O O1 4 -0.847600 15.9994 0 - 3281 H2O 422 H2O H1 3 0.423800 1.0079 0 - 3282 H2O 422 H2O H2 3 0.423800 1.0079 0 - 3283 H2O 423 H2O O1 4 -0.847600 15.9994 0 - 3284 H2O 423 H2O H1 3 0.423800 1.0079 0 - 3285 H2O 423 H2O H2 3 0.423800 1.0079 0 - 3286 H2O 424 H2O O1 4 -0.847600 15.9994 0 - 3287 H2O 424 H2O H1 3 0.423800 1.0079 0 - 3288 H2O 424 H2O H2 3 0.423800 1.0079 0 - 3289 H2O 425 H2O O1 4 -0.847600 15.9994 0 - 3290 H2O 425 H2O H1 3 0.423800 1.0079 0 - 3291 H2O 425 H2O H2 3 0.423800 1.0079 0 - 3292 H2O 426 H2O O1 4 -0.847600 15.9994 0 - 3293 H2O 426 H2O H1 3 0.423800 1.0079 0 - 3294 H2O 426 H2O H2 3 0.423800 1.0079 0 - 3295 H2O 427 H2O O1 4 -0.847600 15.9994 0 - 3296 H2O 427 H2O H1 3 0.423800 1.0079 0 - 3297 H2O 427 H2O H2 3 0.423800 1.0079 0 - 3298 H2O 428 H2O O1 4 -0.847600 15.9994 0 - 3299 H2O 428 H2O H1 3 0.423800 1.0079 0 - 3300 H2O 428 H2O H2 3 0.423800 1.0079 0 - 3301 H2O 429 H2O O1 4 -0.847600 15.9994 0 - 3302 H2O 429 H2O H1 3 0.423800 1.0079 0 - 3303 H2O 429 H2O H2 3 0.423800 1.0079 0 - 3304 H2O 430 H2O O1 4 -0.847600 15.9994 0 - 3305 H2O 430 H2O H1 3 0.423800 1.0079 0 - 3306 H2O 430 H2O H2 3 0.423800 1.0079 0 - 3307 H2O 431 H2O O1 4 -0.847600 15.9994 0 - 3308 H2O 431 H2O H1 3 0.423800 1.0079 0 - 3309 H2O 431 H2O H2 3 0.423800 1.0079 0 - 3310 H2O 432 H2O O1 4 -0.847600 15.9994 0 - 3311 H2O 432 H2O H1 3 0.423800 1.0079 0 - 3312 H2O 432 H2O H2 3 0.423800 1.0079 0 - 3313 H2O 433 H2O O1 4 -0.847600 15.9994 0 - 3314 H2O 433 H2O H1 3 0.423800 1.0079 0 - 3315 H2O 433 H2O H2 3 0.423800 1.0079 0 - 3316 H2O 434 H2O O1 4 -0.847600 15.9994 0 - 3317 H2O 434 H2O H1 3 0.423800 1.0079 0 - 3318 H2O 434 H2O H2 3 0.423800 1.0079 0 - 3319 H2O 435 H2O O1 4 -0.847600 15.9994 0 - 3320 H2O 435 H2O H1 3 0.423800 1.0079 0 - 3321 H2O 435 H2O H2 3 0.423800 1.0079 0 - 3322 H2O 436 H2O O1 4 -0.847600 15.9994 0 - 3323 H2O 436 H2O H1 3 0.423800 1.0079 0 - 3324 H2O 436 H2O H2 3 0.423800 1.0079 0 - 3325 H2O 437 H2O O1 4 -0.847600 15.9994 0 - 3326 H2O 437 H2O H1 3 0.423800 1.0079 0 - 3327 H2O 437 H2O H2 3 0.423800 1.0079 0 - 3328 H2O 438 H2O O1 4 -0.847600 15.9994 0 - 3329 H2O 438 H2O H1 3 0.423800 1.0079 0 - 3330 H2O 438 H2O H2 3 0.423800 1.0079 0 - 3331 H2O 439 H2O O1 4 -0.847600 15.9994 0 - 3332 H2O 439 H2O H1 3 0.423800 1.0079 0 - 3333 H2O 439 H2O H2 3 0.423800 1.0079 0 - 3334 H2O 440 H2O O1 4 -0.847600 15.9994 0 - 3335 H2O 440 H2O H1 3 0.423800 1.0079 0 - 3336 H2O 440 H2O H2 3 0.423800 1.0079 0 - 3337 H2O 441 H2O O1 4 -0.847600 15.9994 0 - 3338 H2O 441 H2O H1 3 0.423800 1.0079 0 - 3339 H2O 441 H2O H2 3 0.423800 1.0079 0 - 3340 H2O 442 H2O O1 4 -0.847600 15.9994 0 - 3341 H2O 442 H2O H1 3 0.423800 1.0079 0 - 3342 H2O 442 H2O H2 3 0.423800 1.0079 0 - 3343 H2O 443 H2O O1 4 -0.847600 15.9994 0 - 3344 H2O 443 H2O H1 3 0.423800 1.0079 0 - 3345 H2O 443 H2O H2 3 0.423800 1.0079 0 - 3346 H2O 444 H2O O1 4 -0.847600 15.9994 0 - 3347 H2O 444 H2O H1 3 0.423800 1.0079 0 - 3348 H2O 444 H2O H2 3 0.423800 1.0079 0 - 3349 H2O 445 H2O O1 4 -0.847600 15.9994 0 - 3350 H2O 445 H2O H1 3 0.423800 1.0079 0 - 3351 H2O 445 H2O H2 3 0.423800 1.0079 0 - 3352 H2O 446 H2O O1 4 -0.847600 15.9994 0 - 3353 H2O 446 H2O H1 3 0.423800 1.0079 0 - 3354 H2O 446 H2O H2 3 0.423800 1.0079 0 - 3355 H2O 447 H2O O1 4 -0.847600 15.9994 0 - 3356 H2O 447 H2O H1 3 0.423800 1.0079 0 - 3357 H2O 447 H2O H2 3 0.423800 1.0079 0 - 3358 H2O 448 H2O O1 4 -0.847600 15.9994 0 - 3359 H2O 448 H2O H1 3 0.423800 1.0079 0 - 3360 H2O 448 H2O H2 3 0.423800 1.0079 0 - 3361 H2O 449 H2O O1 4 -0.847600 15.9994 0 - 3362 H2O 449 H2O H1 3 0.423800 1.0079 0 - 3363 H2O 449 H2O H2 3 0.423800 1.0079 0 - 3364 H2O 450 H2O O1 4 -0.847600 15.9994 0 - 3365 H2O 450 H2O H1 3 0.423800 1.0079 0 - 3366 H2O 450 H2O H2 3 0.423800 1.0079 0 - 3367 H2O 451 H2O O1 4 -0.847600 15.9994 0 - 3368 H2O 451 H2O H1 3 0.423800 1.0079 0 - 3369 H2O 451 H2O H2 3 0.423800 1.0079 0 - 3370 H2O 452 H2O O1 4 -0.847600 15.9994 0 - 3371 H2O 452 H2O H1 3 0.423800 1.0079 0 - 3372 H2O 452 H2O H2 3 0.423800 1.0079 0 - 3373 H2O 453 H2O O1 4 -0.847600 15.9994 0 - 3374 H2O 453 H2O H1 3 0.423800 1.0079 0 - 3375 H2O 453 H2O H2 3 0.423800 1.0079 0 - 3376 H2O 454 H2O O1 4 -0.847600 15.9994 0 - 3377 H2O 454 H2O H1 3 0.423800 1.0079 0 - 3378 H2O 454 H2O H2 3 0.423800 1.0079 0 - 3379 H2O 455 H2O O1 4 -0.847600 15.9994 0 - 3380 H2O 455 H2O H1 3 0.423800 1.0079 0 - 3381 H2O 455 H2O H2 3 0.423800 1.0079 0 - 3382 H2O 456 H2O O1 4 -0.847600 15.9994 0 - 3383 H2O 456 H2O H1 3 0.423800 1.0079 0 - 3384 H2O 456 H2O H2 3 0.423800 1.0079 0 - 3385 H2O 457 H2O O1 4 -0.847600 15.9994 0 - 3386 H2O 457 H2O H1 3 0.423800 1.0079 0 - 3387 H2O 457 H2O H2 3 0.423800 1.0079 0 - 3388 H2O 458 H2O O1 4 -0.847600 15.9994 0 - 3389 H2O 458 H2O H1 3 0.423800 1.0079 0 - 3390 H2O 458 H2O H2 3 0.423800 1.0079 0 - 3391 H2O 459 H2O O1 4 -0.847600 15.9994 0 - 3392 H2O 459 H2O H1 3 0.423800 1.0079 0 - 3393 H2O 459 H2O H2 3 0.423800 1.0079 0 - 3394 H2O 460 H2O O1 4 -0.847600 15.9994 0 - 3395 H2O 460 H2O H1 3 0.423800 1.0079 0 - 3396 H2O 460 H2O H2 3 0.423800 1.0079 0 - 3397 H2O 461 H2O O1 4 -0.847600 15.9994 0 - 3398 H2O 461 H2O H1 3 0.423800 1.0079 0 - 3399 H2O 461 H2O H2 3 0.423800 1.0079 0 - 3400 H2O 462 H2O O1 4 -0.847600 15.9994 0 - 3401 H2O 462 H2O H1 3 0.423800 1.0079 0 - 3402 H2O 462 H2O H2 3 0.423800 1.0079 0 - 3403 H2O 463 H2O O1 4 -0.847600 15.9994 0 - 3404 H2O 463 H2O H1 3 0.423800 1.0079 0 - 3405 H2O 463 H2O H2 3 0.423800 1.0079 0 - 3406 H2O 464 H2O O1 4 -0.847600 15.9994 0 - 3407 H2O 464 H2O H1 3 0.423800 1.0079 0 - 3408 H2O 464 H2O H2 3 0.423800 1.0079 0 - 3409 H2O 465 H2O O1 4 -0.847600 15.9994 0 - 3410 H2O 465 H2O H1 3 0.423800 1.0079 0 - 3411 H2O 465 H2O H2 3 0.423800 1.0079 0 - 3412 H2O 466 H2O O1 4 -0.847600 15.9994 0 - 3413 H2O 466 H2O H1 3 0.423800 1.0079 0 - 3414 H2O 466 H2O H2 3 0.423800 1.0079 0 - 3415 H2O 467 H2O O1 4 -0.847600 15.9994 0 - 3416 H2O 467 H2O H1 3 0.423800 1.0079 0 - 3417 H2O 467 H2O H2 3 0.423800 1.0079 0 - 3418 H2O 468 H2O O1 4 -0.847600 15.9994 0 - 3419 H2O 468 H2O H1 3 0.423800 1.0079 0 - 3420 H2O 468 H2O H2 3 0.423800 1.0079 0 - 3421 H2O 469 H2O O1 4 -0.847600 15.9994 0 - 3422 H2O 469 H2O H1 3 0.423800 1.0079 0 - 3423 H2O 469 H2O H2 3 0.423800 1.0079 0 - 3424 H2O 470 H2O O1 4 -0.847600 15.9994 0 - 3425 H2O 470 H2O H1 3 0.423800 1.0079 0 - 3426 H2O 470 H2O H2 3 0.423800 1.0079 0 - 3427 H2O 471 H2O O1 4 -0.847600 15.9994 0 - 3428 H2O 471 H2O H1 3 0.423800 1.0079 0 - 3429 H2O 471 H2O H2 3 0.423800 1.0079 0 - 3430 H2O 472 H2O O1 4 -0.847600 15.9994 0 - 3431 H2O 472 H2O H1 3 0.423800 1.0079 0 - 3432 H2O 472 H2O H2 3 0.423800 1.0079 0 - 3433 H2O 473 H2O O1 4 -0.847600 15.9994 0 - 3434 H2O 473 H2O H1 3 0.423800 1.0079 0 - 3435 H2O 473 H2O H2 3 0.423800 1.0079 0 - 3436 H2O 474 H2O O1 4 -0.847600 15.9994 0 - 3437 H2O 474 H2O H1 3 0.423800 1.0079 0 - 3438 H2O 474 H2O H2 3 0.423800 1.0079 0 - 3439 H2O 475 H2O O1 4 -0.847600 15.9994 0 - 3440 H2O 475 H2O H1 3 0.423800 1.0079 0 - 3441 H2O 475 H2O H2 3 0.423800 1.0079 0 - 3442 H2O 476 H2O O1 4 -0.847600 15.9994 0 - 3443 H2O 476 H2O H1 3 0.423800 1.0079 0 - 3444 H2O 476 H2O H2 3 0.423800 1.0079 0 - 3445 H2O 477 H2O O1 4 -0.847600 15.9994 0 - 3446 H2O 477 H2O H1 3 0.423800 1.0079 0 - 3447 H2O 477 H2O H2 3 0.423800 1.0079 0 - 3448 H2O 478 H2O O1 4 -0.847600 15.9994 0 - 3449 H2O 478 H2O H1 3 0.423800 1.0079 0 - 3450 H2O 478 H2O H2 3 0.423800 1.0079 0 - 3451 H2O 479 H2O O1 4 -0.847600 15.9994 0 - 3452 H2O 479 H2O H1 3 0.423800 1.0079 0 - 3453 H2O 479 H2O H2 3 0.423800 1.0079 0 - 3454 H2O 480 H2O O1 4 -0.847600 15.9994 0 - 3455 H2O 480 H2O H1 3 0.423800 1.0079 0 - 3456 H2O 480 H2O H2 3 0.423800 1.0079 0 - 3457 H2O 481 H2O O1 4 -0.847600 15.9994 0 - 3458 H2O 481 H2O H1 3 0.423800 1.0079 0 - 3459 H2O 481 H2O H2 3 0.423800 1.0079 0 - 3460 H2O 482 H2O O1 4 -0.847600 15.9994 0 - 3461 H2O 482 H2O H1 3 0.423800 1.0079 0 - 3462 H2O 482 H2O H2 3 0.423800 1.0079 0 - 3463 H2O 483 H2O O1 4 -0.847600 15.9994 0 - 3464 H2O 483 H2O H1 3 0.423800 1.0079 0 - 3465 H2O 483 H2O H2 3 0.423800 1.0079 0 - 3466 H2O 484 H2O O1 4 -0.847600 15.9994 0 - 3467 H2O 484 H2O H1 3 0.423800 1.0079 0 - 3468 H2O 484 H2O H2 3 0.423800 1.0079 0 - 3469 H2O 485 H2O O1 4 -0.847600 15.9994 0 - 3470 H2O 485 H2O H1 3 0.423800 1.0079 0 - 3471 H2O 485 H2O H2 3 0.423800 1.0079 0 - 3472 H2O 486 H2O O1 4 -0.847600 15.9994 0 - 3473 H2O 486 H2O H1 3 0.423800 1.0079 0 - 3474 H2O 486 H2O H2 3 0.423800 1.0079 0 - 3475 H2O 487 H2O O1 4 -0.847600 15.9994 0 - 3476 H2O 487 H2O H1 3 0.423800 1.0079 0 - 3477 H2O 487 H2O H2 3 0.423800 1.0079 0 - 3478 H2O 488 H2O O1 4 -0.847600 15.9994 0 - 3479 H2O 488 H2O H1 3 0.423800 1.0079 0 - 3480 H2O 488 H2O H2 3 0.423800 1.0079 0 - 3481 H2O 489 H2O O1 4 -0.847600 15.9994 0 - 3482 H2O 489 H2O H1 3 0.423800 1.0079 0 - 3483 H2O 489 H2O H2 3 0.423800 1.0079 0 - 3484 H2O 490 H2O O1 4 -0.847600 15.9994 0 - 3485 H2O 490 H2O H1 3 0.423800 1.0079 0 - 3486 H2O 490 H2O H2 3 0.423800 1.0079 0 - 3487 H2O 491 H2O O1 4 -0.847600 15.9994 0 - 3488 H2O 491 H2O H1 3 0.423800 1.0079 0 - 3489 H2O 491 H2O H2 3 0.423800 1.0079 0 - 3490 H2O 492 H2O O1 4 -0.847600 15.9994 0 - 3491 H2O 492 H2O H1 3 0.423800 1.0079 0 - 3492 H2O 492 H2O H2 3 0.423800 1.0079 0 - 3493 H2O 493 H2O O1 4 -0.847600 15.9994 0 - 3494 H2O 493 H2O H1 3 0.423800 1.0079 0 - 3495 H2O 493 H2O H2 3 0.423800 1.0079 0 - 3496 H2O 494 H2O O1 4 -0.847600 15.9994 0 - 3497 H2O 494 H2O H1 3 0.423800 1.0079 0 - 3498 H2O 494 H2O H2 3 0.423800 1.0079 0 - 3499 H2O 495 H2O O1 4 -0.847600 15.9994 0 - 3500 H2O 495 H2O H1 3 0.423800 1.0079 0 - 3501 H2O 495 H2O H2 3 0.423800 1.0079 0 - 3502 H2O 496 H2O O1 4 -0.847600 15.9994 0 - 3503 H2O 496 H2O H1 3 0.423800 1.0079 0 - 3504 H2O 496 H2O H2 3 0.423800 1.0079 0 - 3505 H2O 497 H2O O1 4 -0.847600 15.9994 0 - 3506 H2O 497 H2O H1 3 0.423800 1.0079 0 - 3507 H2O 497 H2O H2 3 0.423800 1.0079 0 - 3508 H2O 498 H2O O1 4 -0.847600 15.9994 0 - 3509 H2O 498 H2O H1 3 0.423800 1.0079 0 - 3510 H2O 498 H2O H2 3 0.423800 1.0079 0 - 3511 H2O 499 H2O O1 4 -0.847600 15.9994 0 - 3512 H2O 499 H2O H1 3 0.423800 1.0079 0 - 3513 H2O 499 H2O H2 3 0.423800 1.0079 0 - 3514 H2O 500 H2O O1 4 -0.847600 15.9994 0 - 3515 H2O 500 H2O H1 3 0.423800 1.0079 0 - 3516 H2O 500 H2O H2 3 0.423800 1.0079 0 - 3517 H2O 501 H2O O1 4 -0.847600 15.9994 0 - 3518 H2O 501 H2O H1 3 0.423800 1.0079 0 - 3519 H2O 501 H2O H2 3 0.423800 1.0079 0 - 3520 H2O 502 H2O O1 4 -0.847600 15.9994 0 - 3521 H2O 502 H2O H1 3 0.423800 1.0079 0 - 3522 H2O 502 H2O H2 3 0.423800 1.0079 0 - 3523 H2O 503 H2O O1 4 -0.847600 15.9994 0 - 3524 H2O 503 H2O H1 3 0.423800 1.0079 0 - 3525 H2O 503 H2O H2 3 0.423800 1.0079 0 - 3526 H2O 504 H2O O1 4 -0.847600 15.9994 0 - 3527 H2O 504 H2O H1 3 0.423800 1.0079 0 - 3528 H2O 504 H2O H2 3 0.423800 1.0079 0 - 3529 H2O 505 H2O O1 4 -0.847600 15.9994 0 - 3530 H2O 505 H2O H1 3 0.423800 1.0079 0 - 3531 H2O 505 H2O H2 3 0.423800 1.0079 0 - 3532 H2O 506 H2O O1 4 -0.847600 15.9994 0 - 3533 H2O 506 H2O H1 3 0.423800 1.0079 0 - 3534 H2O 506 H2O H2 3 0.423800 1.0079 0 - 3535 H2O 507 H2O O1 4 -0.847600 15.9994 0 - 3536 H2O 507 H2O H1 3 0.423800 1.0079 0 - 3537 H2O 507 H2O H2 3 0.423800 1.0079 0 - 3538 H2O 508 H2O O1 4 -0.847600 15.9994 0 - 3539 H2O 508 H2O H1 3 0.423800 1.0079 0 - 3540 H2O 508 H2O H2 3 0.423800 1.0079 0 - 3541 H2O 509 H2O O1 4 -0.847600 15.9994 0 - 3542 H2O 509 H2O H1 3 0.423800 1.0079 0 - 3543 H2O 509 H2O H2 3 0.423800 1.0079 0 - 3544 H2O 510 H2O O1 4 -0.847600 15.9994 0 - 3545 H2O 510 H2O H1 3 0.423800 1.0079 0 - 3546 H2O 510 H2O H2 3 0.423800 1.0079 0 - 3547 H2O 511 H2O O1 4 -0.847600 15.9994 0 - 3548 H2O 511 H2O H1 3 0.423800 1.0079 0 - 3549 H2O 511 H2O H2 3 0.423800 1.0079 0 - 3550 H2O 512 H2O O1 4 -0.847600 15.9994 0 - 3551 H2O 512 H2O H1 3 0.423800 1.0079 0 - 3552 H2O 512 H2O H2 3 0.423800 1.0079 0 - 3553 H2O 513 H2O O1 4 -0.847600 15.9994 0 - 3554 H2O 513 H2O H1 3 0.423800 1.0079 0 - 3555 H2O 513 H2O H2 3 0.423800 1.0079 0 - 3556 H2O 514 H2O O1 4 -0.847600 15.9994 0 - 3557 H2O 514 H2O H1 3 0.423800 1.0079 0 - 3558 H2O 514 H2O H2 3 0.423800 1.0079 0 - 3559 H2O 515 H2O O1 4 -0.847600 15.9994 0 - 3560 H2O 515 H2O H1 3 0.423800 1.0079 0 - 3561 H2O 515 H2O H2 3 0.423800 1.0079 0 - 3562 H2O 516 H2O O1 4 -0.847600 15.9994 0 - 3563 H2O 516 H2O H1 3 0.423800 1.0079 0 - 3564 H2O 516 H2O H2 3 0.423800 1.0079 0 - 3565 H2O 517 H2O O1 4 -0.847600 15.9994 0 - 3566 H2O 517 H2O H1 3 0.423800 1.0079 0 - 3567 H2O 517 H2O H2 3 0.423800 1.0079 0 - 3568 H2O 518 H2O O1 4 -0.847600 15.9994 0 - 3569 H2O 518 H2O H1 3 0.423800 1.0079 0 - 3570 H2O 518 H2O H2 3 0.423800 1.0079 0 - 3571 H2O 519 H2O O1 4 -0.847600 15.9994 0 - 3572 H2O 519 H2O H1 3 0.423800 1.0079 0 - 3573 H2O 519 H2O H2 3 0.423800 1.0079 0 - 3574 H2O 520 H2O O1 4 -0.847600 15.9994 0 - 3575 H2O 520 H2O H1 3 0.423800 1.0079 0 - 3576 H2O 520 H2O H2 3 0.423800 1.0079 0 - 3577 H2O 521 H2O O1 4 -0.847600 15.9994 0 - 3578 H2O 521 H2O H1 3 0.423800 1.0079 0 - 3579 H2O 521 H2O H2 3 0.423800 1.0079 0 - 3580 H2O 522 H2O O1 4 -0.847600 15.9994 0 - 3581 H2O 522 H2O H1 3 0.423800 1.0079 0 - 3582 H2O 522 H2O H2 3 0.423800 1.0079 0 - 3583 H2O 523 H2O O1 4 -0.847600 15.9994 0 - 3584 H2O 523 H2O H1 3 0.423800 1.0079 0 - 3585 H2O 523 H2O H2 3 0.423800 1.0079 0 - 3586 H2O 524 H2O O1 4 -0.847600 15.9994 0 - 3587 H2O 524 H2O H1 3 0.423800 1.0079 0 - 3588 H2O 524 H2O H2 3 0.423800 1.0079 0 - 3589 H2O 525 H2O O1 4 -0.847600 15.9994 0 - 3590 H2O 525 H2O H1 3 0.423800 1.0079 0 - 3591 H2O 525 H2O H2 3 0.423800 1.0079 0 - 3592 H2O 526 H2O O1 4 -0.847600 15.9994 0 - 3593 H2O 526 H2O H1 3 0.423800 1.0079 0 - 3594 H2O 526 H2O H2 3 0.423800 1.0079 0 - 3595 H2O 527 H2O O1 4 -0.847600 15.9994 0 - 3596 H2O 527 H2O H1 3 0.423800 1.0079 0 - 3597 H2O 527 H2O H2 3 0.423800 1.0079 0 - 3598 H2O 528 H2O O1 4 -0.847600 15.9994 0 - 3599 H2O 528 H2O H1 3 0.423800 1.0079 0 - 3600 H2O 528 H2O H2 3 0.423800 1.0079 0 - 3601 H2O 529 H2O O1 4 -0.847600 15.9994 0 - 3602 H2O 529 H2O H1 3 0.423800 1.0079 0 - 3603 H2O 529 H2O H2 3 0.423800 1.0079 0 - 3604 H2O 530 H2O O1 4 -0.847600 15.9994 0 - 3605 H2O 530 H2O H1 3 0.423800 1.0079 0 - 3606 H2O 530 H2O H2 3 0.423800 1.0079 0 - 3607 H2O 531 H2O O1 4 -0.847600 15.9994 0 - 3608 H2O 531 H2O H1 3 0.423800 1.0079 0 - 3609 H2O 531 H2O H2 3 0.423800 1.0079 0 - 3610 H2O 532 H2O O1 4 -0.847600 15.9994 0 - 3611 H2O 532 H2O H1 3 0.423800 1.0079 0 - 3612 H2O 532 H2O H2 3 0.423800 1.0079 0 - 3613 H2O 533 H2O O1 4 -0.847600 15.9994 0 - 3614 H2O 533 H2O H1 3 0.423800 1.0079 0 - 3615 H2O 533 H2O H2 3 0.423800 1.0079 0 - 3616 H2O 534 H2O O1 4 -0.847600 15.9994 0 - 3617 H2O 534 H2O H1 3 0.423800 1.0079 0 - 3618 H2O 534 H2O H2 3 0.423800 1.0079 0 - 3619 H2O 535 H2O O1 4 -0.847600 15.9994 0 - 3620 H2O 535 H2O H1 3 0.423800 1.0079 0 - 3621 H2O 535 H2O H2 3 0.423800 1.0079 0 - 3622 H2O 536 H2O O1 4 -0.847600 15.9994 0 - 3623 H2O 536 H2O H1 3 0.423800 1.0079 0 - 3624 H2O 536 H2O H2 3 0.423800 1.0079 0 - 3625 H2O 537 H2O O1 4 -0.847600 15.9994 0 - 3626 H2O 537 H2O H1 3 0.423800 1.0079 0 - 3627 H2O 537 H2O H2 3 0.423800 1.0079 0 - 3628 H2O 538 H2O O1 4 -0.847600 15.9994 0 - 3629 H2O 538 H2O H1 3 0.423800 1.0079 0 - 3630 H2O 538 H2O H2 3 0.423800 1.0079 0 - 3631 H2O 539 H2O O1 4 -0.847600 15.9994 0 - 3632 H2O 539 H2O H1 3 0.423800 1.0079 0 - 3633 H2O 539 H2O H2 3 0.423800 1.0079 0 - 3634 H2O 540 H2O O1 4 -0.847600 15.9994 0 - 3635 H2O 540 H2O H1 3 0.423800 1.0079 0 - 3636 H2O 540 H2O H2 3 0.423800 1.0079 0 - 3637 H2O 541 H2O O1 4 -0.847600 15.9994 0 - 3638 H2O 541 H2O H1 3 0.423800 1.0079 0 - 3639 H2O 541 H2O H2 3 0.423800 1.0079 0 - 3640 H2O 542 H2O O1 4 -0.847600 15.9994 0 - 3641 H2O 542 H2O H1 3 0.423800 1.0079 0 - 3642 H2O 542 H2O H2 3 0.423800 1.0079 0 - 3643 H2O 543 H2O O1 4 -0.847600 15.9994 0 - 3644 H2O 543 H2O H1 3 0.423800 1.0079 0 - 3645 H2O 543 H2O H2 3 0.423800 1.0079 0 - 3646 H2O 544 H2O O1 4 -0.847600 15.9994 0 - 3647 H2O 544 H2O H1 3 0.423800 1.0079 0 - 3648 H2O 544 H2O H2 3 0.423800 1.0079 0 - 3649 H2O 545 H2O O1 4 -0.847600 15.9994 0 - 3650 H2O 545 H2O H1 3 0.423800 1.0079 0 - 3651 H2O 545 H2O H2 3 0.423800 1.0079 0 - 3652 H2O 546 H2O O1 4 -0.847600 15.9994 0 - 3653 H2O 546 H2O H1 3 0.423800 1.0079 0 - 3654 H2O 546 H2O H2 3 0.423800 1.0079 0 - 3655 H2O 547 H2O O1 4 -0.847600 15.9994 0 - 3656 H2O 547 H2O H1 3 0.423800 1.0079 0 - 3657 H2O 547 H2O H2 3 0.423800 1.0079 0 - 3658 H2O 548 H2O O1 4 -0.847600 15.9994 0 - 3659 H2O 548 H2O H1 3 0.423800 1.0079 0 - 3660 H2O 548 H2O H2 3 0.423800 1.0079 0 - 3661 H2O 549 H2O O1 4 -0.847600 15.9994 0 - 3662 H2O 549 H2O H1 3 0.423800 1.0079 0 - 3663 H2O 549 H2O H2 3 0.423800 1.0079 0 - 3664 H2O 550 H2O O1 4 -0.847600 15.9994 0 - 3665 H2O 550 H2O H1 3 0.423800 1.0079 0 - 3666 H2O 550 H2O H2 3 0.423800 1.0079 0 - 3667 H2O 551 H2O O1 4 -0.847600 15.9994 0 - 3668 H2O 551 H2O H1 3 0.423800 1.0079 0 - 3669 H2O 551 H2O H2 3 0.423800 1.0079 0 - 3670 H2O 552 H2O O1 4 -0.847600 15.9994 0 - 3671 H2O 552 H2O H1 3 0.423800 1.0079 0 - 3672 H2O 552 H2O H2 3 0.423800 1.0079 0 - 3673 H2O 553 H2O O1 4 -0.847600 15.9994 0 - 3674 H2O 553 H2O H1 3 0.423800 1.0079 0 - 3675 H2O 553 H2O H2 3 0.423800 1.0079 0 - 3676 H2O 554 H2O O1 4 -0.847600 15.9994 0 - 3677 H2O 554 H2O H1 3 0.423800 1.0079 0 - 3678 H2O 554 H2O H2 3 0.423800 1.0079 0 - 3679 H2O 555 H2O O1 4 -0.847600 15.9994 0 - 3680 H2O 555 H2O H1 3 0.423800 1.0079 0 - 3681 H2O 555 H2O H2 3 0.423800 1.0079 0 - 3682 H2O 556 H2O O1 4 -0.847600 15.9994 0 - 3683 H2O 556 H2O H1 3 0.423800 1.0079 0 - 3684 H2O 556 H2O H2 3 0.423800 1.0079 0 - 3685 H2O 557 H2O O1 4 -0.847600 15.9994 0 - 3686 H2O 557 H2O H1 3 0.423800 1.0079 0 - 3687 H2O 557 H2O H2 3 0.423800 1.0079 0 - 3688 H2O 558 H2O O1 4 -0.847600 15.9994 0 - 3689 H2O 558 H2O H1 3 0.423800 1.0079 0 - 3690 H2O 558 H2O H2 3 0.423800 1.0079 0 - 3691 H2O 559 H2O O1 4 -0.847600 15.9994 0 - 3692 H2O 559 H2O H1 3 0.423800 1.0079 0 - 3693 H2O 559 H2O H2 3 0.423800 1.0079 0 - 3694 H2O 560 H2O O1 4 -0.847600 15.9994 0 - 3695 H2O 560 H2O H1 3 0.423800 1.0079 0 - 3696 H2O 560 H2O H2 3 0.423800 1.0079 0 - 3697 H2O 561 H2O O1 4 -0.847600 15.9994 0 - 3698 H2O 561 H2O H1 3 0.423800 1.0079 0 - 3699 H2O 561 H2O H2 3 0.423800 1.0079 0 - 3700 H2O 562 H2O O1 4 -0.847600 15.9994 0 - 3701 H2O 562 H2O H1 3 0.423800 1.0079 0 - 3702 H2O 562 H2O H2 3 0.423800 1.0079 0 - 3703 H2O 563 H2O O1 4 -0.847600 15.9994 0 - 3704 H2O 563 H2O H1 3 0.423800 1.0079 0 - 3705 H2O 563 H2O H2 3 0.423800 1.0079 0 - 3706 H2O 564 H2O O1 4 -0.847600 15.9994 0 - 3707 H2O 564 H2O H1 3 0.423800 1.0079 0 - 3708 H2O 564 H2O H2 3 0.423800 1.0079 0 - 3709 H2O 565 H2O O1 4 -0.847600 15.9994 0 - 3710 H2O 565 H2O H1 3 0.423800 1.0079 0 - 3711 H2O 565 H2O H2 3 0.423800 1.0079 0 - 3712 H2O 566 H2O O1 4 -0.847600 15.9994 0 - 3713 H2O 566 H2O H1 3 0.423800 1.0079 0 - 3714 H2O 566 H2O H2 3 0.423800 1.0079 0 - 3715 H2O 567 H2O O1 4 -0.847600 15.9994 0 - 3716 H2O 567 H2O H1 3 0.423800 1.0079 0 - 3717 H2O 567 H2O H2 3 0.423800 1.0079 0 - 3718 H2O 568 H2O O1 4 -0.847600 15.9994 0 - 3719 H2O 568 H2O H1 3 0.423800 1.0079 0 - 3720 H2O 568 H2O H2 3 0.423800 1.0079 0 - 3721 H2O 569 H2O O1 4 -0.847600 15.9994 0 - 3722 H2O 569 H2O H1 3 0.423800 1.0079 0 - 3723 H2O 569 H2O H2 3 0.423800 1.0079 0 - 3724 H2O 570 H2O O1 4 -0.847600 15.9994 0 - 3725 H2O 570 H2O H1 3 0.423800 1.0079 0 - 3726 H2O 570 H2O H2 3 0.423800 1.0079 0 - 3727 H2O 571 H2O O1 4 -0.847600 15.9994 0 - 3728 H2O 571 H2O H1 3 0.423800 1.0079 0 - 3729 H2O 571 H2O H2 3 0.423800 1.0079 0 - 3730 H2O 572 H2O O1 4 -0.847600 15.9994 0 - 3731 H2O 572 H2O H1 3 0.423800 1.0079 0 - 3732 H2O 572 H2O H2 3 0.423800 1.0079 0 - 3733 H2O 573 H2O O1 4 -0.847600 15.9994 0 - 3734 H2O 573 H2O H1 3 0.423800 1.0079 0 - 3735 H2O 573 H2O H2 3 0.423800 1.0079 0 - 3736 H2O 574 H2O O1 4 -0.847600 15.9994 0 - 3737 H2O 574 H2O H1 3 0.423800 1.0079 0 - 3738 H2O 574 H2O H2 3 0.423800 1.0079 0 - 3739 H2O 575 H2O O1 4 -0.847600 15.9994 0 - 3740 H2O 575 H2O H1 3 0.423800 1.0079 0 - 3741 H2O 575 H2O H2 3 0.423800 1.0079 0 - 3742 H2O 576 H2O O1 4 -0.847600 15.9994 0 - 3743 H2O 576 H2O H1 3 0.423800 1.0079 0 - 3744 H2O 576 H2O H2 3 0.423800 1.0079 0 - 3745 H2O 577 H2O O1 4 -0.847600 15.9994 0 - 3746 H2O 577 H2O H1 3 0.423800 1.0079 0 - 3747 H2O 577 H2O H2 3 0.423800 1.0079 0 - 3748 H2O 578 H2O O1 4 -0.847600 15.9994 0 - 3749 H2O 578 H2O H1 3 0.423800 1.0079 0 - 3750 H2O 578 H2O H2 3 0.423800 1.0079 0 - 3751 H2O 579 H2O O1 4 -0.847600 15.9994 0 - 3752 H2O 579 H2O H1 3 0.423800 1.0079 0 - 3753 H2O 579 H2O H2 3 0.423800 1.0079 0 - 3754 H2O 580 H2O O1 4 -0.847600 15.9994 0 - 3755 H2O 580 H2O H1 3 0.423800 1.0079 0 - 3756 H2O 580 H2O H2 3 0.423800 1.0079 0 - 3757 H2O 581 H2O O1 4 -0.847600 15.9994 0 - 3758 H2O 581 H2O H1 3 0.423800 1.0079 0 - 3759 H2O 581 H2O H2 3 0.423800 1.0079 0 - 3760 H2O 582 H2O O1 4 -0.847600 15.9994 0 - 3761 H2O 582 H2O H1 3 0.423800 1.0079 0 - 3762 H2O 582 H2O H2 3 0.423800 1.0079 0 - 3763 H2O 583 H2O O1 4 -0.847600 15.9994 0 - 3764 H2O 583 H2O H1 3 0.423800 1.0079 0 - 3765 H2O 583 H2O H2 3 0.423800 1.0079 0 - 3766 H2O 584 H2O O1 4 -0.847600 15.9994 0 - 3767 H2O 584 H2O H1 3 0.423800 1.0079 0 - 3768 H2O 584 H2O H2 3 0.423800 1.0079 0 - 3769 H2O 585 H2O O1 4 -0.847600 15.9994 0 - 3770 H2O 585 H2O H1 3 0.423800 1.0079 0 - 3771 H2O 585 H2O H2 3 0.423800 1.0079 0 - 3772 H2O 586 H2O O1 4 -0.847600 15.9994 0 - 3773 H2O 586 H2O H1 3 0.423800 1.0079 0 - 3774 H2O 586 H2O H2 3 0.423800 1.0079 0 - 3775 H2O 587 H2O O1 4 -0.847600 15.9994 0 - 3776 H2O 587 H2O H1 3 0.423800 1.0079 0 - 3777 H2O 587 H2O H2 3 0.423800 1.0079 0 - 3778 H2O 588 H2O O1 4 -0.847600 15.9994 0 - 3779 H2O 588 H2O H1 3 0.423800 1.0079 0 - 3780 H2O 588 H2O H2 3 0.423800 1.0079 0 - 3781 H2O 589 H2O O1 4 -0.847600 15.9994 0 - 3782 H2O 589 H2O H1 3 0.423800 1.0079 0 - 3783 H2O 589 H2O H2 3 0.423800 1.0079 0 - 3784 H2O 590 H2O O1 4 -0.847600 15.9994 0 - 3785 H2O 590 H2O H1 3 0.423800 1.0079 0 - 3786 H2O 590 H2O H2 3 0.423800 1.0079 0 - 3787 H2O 591 H2O O1 4 -0.847600 15.9994 0 - 3788 H2O 591 H2O H1 3 0.423800 1.0079 0 - 3789 H2O 591 H2O H2 3 0.423800 1.0079 0 - 3790 H2O 592 H2O O1 4 -0.847600 15.9994 0 - 3791 H2O 592 H2O H1 3 0.423800 1.0079 0 - 3792 H2O 592 H2O H2 3 0.423800 1.0079 0 - 3793 H2O 593 H2O O1 4 -0.847600 15.9994 0 - 3794 H2O 593 H2O H1 3 0.423800 1.0079 0 - 3795 H2O 593 H2O H2 3 0.423800 1.0079 0 - 3796 H2O 594 H2O O1 4 -0.847600 15.9994 0 - 3797 H2O 594 H2O H1 3 0.423800 1.0079 0 - 3798 H2O 594 H2O H2 3 0.423800 1.0079 0 - 3799 H2O 595 H2O O1 4 -0.847600 15.9994 0 - 3800 H2O 595 H2O H1 3 0.423800 1.0079 0 - 3801 H2O 595 H2O H2 3 0.423800 1.0079 0 - 3802 H2O 596 H2O O1 4 -0.847600 15.9994 0 - 3803 H2O 596 H2O H1 3 0.423800 1.0079 0 - 3804 H2O 596 H2O H2 3 0.423800 1.0079 0 - 3805 H2O 597 H2O O1 4 -0.847600 15.9994 0 - 3806 H2O 597 H2O H1 3 0.423800 1.0079 0 - 3807 H2O 597 H2O H2 3 0.423800 1.0079 0 - 3808 H2O 598 H2O O1 4 -0.847600 15.9994 0 - 3809 H2O 598 H2O H1 3 0.423800 1.0079 0 - 3810 H2O 598 H2O H2 3 0.423800 1.0079 0 - 3811 H2O 599 H2O O1 4 -0.847600 15.9994 0 - 3812 H2O 599 H2O H1 3 0.423800 1.0079 0 - 3813 H2O 599 H2O H2 3 0.423800 1.0079 0 - 3814 H2O 600 H2O O1 4 -0.847600 15.9994 0 - 3815 H2O 600 H2O H1 3 0.423800 1.0079 0 - 3816 H2O 600 H2O H2 3 0.423800 1.0079 0 - 3817 H2O 601 H2O O1 4 -0.847600 15.9994 0 - 3818 H2O 601 H2O H1 3 0.423800 1.0079 0 - 3819 H2O 601 H2O H2 3 0.423800 1.0079 0 - 3820 H2O 602 H2O O1 4 -0.847600 15.9994 0 - 3821 H2O 602 H2O H1 3 0.423800 1.0079 0 - 3822 H2O 602 H2O H2 3 0.423800 1.0079 0 - 3823 H2O 603 H2O O1 4 -0.847600 15.9994 0 - 3824 H2O 603 H2O H1 3 0.423800 1.0079 0 - 3825 H2O 603 H2O H2 3 0.423800 1.0079 0 - 3826 H2O 604 H2O O1 4 -0.847600 15.9994 0 - 3827 H2O 604 H2O H1 3 0.423800 1.0079 0 - 3828 H2O 604 H2O H2 3 0.423800 1.0079 0 - 3829 H2O 605 H2O O1 4 -0.847600 15.9994 0 - 3830 H2O 605 H2O H1 3 0.423800 1.0079 0 - 3831 H2O 605 H2O H2 3 0.423800 1.0079 0 - 3832 H2O 606 H2O O1 4 -0.847600 15.9994 0 - 3833 H2O 606 H2O H1 3 0.423800 1.0079 0 - 3834 H2O 606 H2O H2 3 0.423800 1.0079 0 - 3835 H2O 607 H2O O1 4 -0.847600 15.9994 0 - 3836 H2O 607 H2O H1 3 0.423800 1.0079 0 - 3837 H2O 607 H2O H2 3 0.423800 1.0079 0 - 3838 H2O 608 H2O O1 4 -0.847600 15.9994 0 - 3839 H2O 608 H2O H1 3 0.423800 1.0079 0 - 3840 H2O 608 H2O H2 3 0.423800 1.0079 0 - 3841 H2O 609 H2O O1 4 -0.847600 15.9994 0 - 3842 H2O 609 H2O H1 3 0.423800 1.0079 0 - 3843 H2O 609 H2O H2 3 0.423800 1.0079 0 - 3844 H2O 610 H2O O1 4 -0.847600 15.9994 0 - 3845 H2O 610 H2O H1 3 0.423800 1.0079 0 - 3846 H2O 610 H2O H2 3 0.423800 1.0079 0 - 3847 H2O 611 H2O O1 4 -0.847600 15.9994 0 - 3848 H2O 611 H2O H1 3 0.423800 1.0079 0 - 3849 H2O 611 H2O H2 3 0.423800 1.0079 0 - 3850 H2O 612 H2O O1 4 -0.847600 15.9994 0 - 3851 H2O 612 H2O H1 3 0.423800 1.0079 0 - 3852 H2O 612 H2O H2 3 0.423800 1.0079 0 - 3853 H2O 613 H2O O1 4 -0.847600 15.9994 0 - 3854 H2O 613 H2O H1 3 0.423800 1.0079 0 - 3855 H2O 613 H2O H2 3 0.423800 1.0079 0 - 3856 H2O 614 H2O O1 4 -0.847600 15.9994 0 - 3857 H2O 614 H2O H1 3 0.423800 1.0079 0 - 3858 H2O 614 H2O H2 3 0.423800 1.0079 0 - 3859 H2O 615 H2O O1 4 -0.847600 15.9994 0 - 3860 H2O 615 H2O H1 3 0.423800 1.0079 0 - 3861 H2O 615 H2O H2 3 0.423800 1.0079 0 - 3862 H2O 616 H2O O1 4 -0.847600 15.9994 0 - 3863 H2O 616 H2O H1 3 0.423800 1.0079 0 - 3864 H2O 616 H2O H2 3 0.423800 1.0079 0 - 3865 H2O 617 H2O O1 4 -0.847600 15.9994 0 - 3866 H2O 617 H2O H1 3 0.423800 1.0079 0 - 3867 H2O 617 H2O H2 3 0.423800 1.0079 0 - 3868 H2O 618 H2O O1 4 -0.847600 15.9994 0 - 3869 H2O 618 H2O H1 3 0.423800 1.0079 0 - 3870 H2O 618 H2O H2 3 0.423800 1.0079 0 - 3871 H2O 619 H2O O1 4 -0.847600 15.9994 0 - 3872 H2O 619 H2O H1 3 0.423800 1.0079 0 - 3873 H2O 619 H2O H2 3 0.423800 1.0079 0 - 3874 H2O 620 H2O O1 4 -0.847600 15.9994 0 - 3875 H2O 620 H2O H1 3 0.423800 1.0079 0 - 3876 H2O 620 H2O H2 3 0.423800 1.0079 0 - 3877 H2O 621 H2O O1 4 -0.847600 15.9994 0 - 3878 H2O 621 H2O H1 3 0.423800 1.0079 0 - 3879 H2O 621 H2O H2 3 0.423800 1.0079 0 - 3880 H2O 622 H2O O1 4 -0.847600 15.9994 0 - 3881 H2O 622 H2O H1 3 0.423800 1.0079 0 - 3882 H2O 622 H2O H2 3 0.423800 1.0079 0 - 3883 H2O 623 H2O O1 4 -0.847600 15.9994 0 - 3884 H2O 623 H2O H1 3 0.423800 1.0079 0 - 3885 H2O 623 H2O H2 3 0.423800 1.0079 0 - 3886 H2O 624 H2O O1 4 -0.847600 15.9994 0 - 3887 H2O 624 H2O H1 3 0.423800 1.0079 0 - 3888 H2O 624 H2O H2 3 0.423800 1.0079 0 - 3889 H2O 625 H2O O1 4 -0.847600 15.9994 0 - 3890 H2O 625 H2O H1 3 0.423800 1.0079 0 - 3891 H2O 625 H2O H2 3 0.423800 1.0079 0 - 3892 H2O 626 H2O O1 4 -0.847600 15.9994 0 - 3893 H2O 626 H2O H1 3 0.423800 1.0079 0 - 3894 H2O 626 H2O H2 3 0.423800 1.0079 0 - 3895 H2O 627 H2O O1 4 -0.847600 15.9994 0 - 3896 H2O 627 H2O H1 3 0.423800 1.0079 0 - 3897 H2O 627 H2O H2 3 0.423800 1.0079 0 - 3898 H2O 628 H2O O1 4 -0.847600 15.9994 0 - 3899 H2O 628 H2O H1 3 0.423800 1.0079 0 - 3900 H2O 628 H2O H2 3 0.423800 1.0079 0 - 3901 H2O 629 H2O O1 4 -0.847600 15.9994 0 - 3902 H2O 629 H2O H1 3 0.423800 1.0079 0 - 3903 H2O 629 H2O H2 3 0.423800 1.0079 0 - 3904 H2O 630 H2O O1 4 -0.847600 15.9994 0 - 3905 H2O 630 H2O H1 3 0.423800 1.0079 0 - 3906 H2O 630 H2O H2 3 0.423800 1.0079 0 - 3907 H2O 631 H2O O1 4 -0.847600 15.9994 0 - 3908 H2O 631 H2O H1 3 0.423800 1.0079 0 - 3909 H2O 631 H2O H2 3 0.423800 1.0079 0 - 3910 H2O 632 H2O O1 4 -0.847600 15.9994 0 - 3911 H2O 632 H2O H1 3 0.423800 1.0079 0 - 3912 H2O 632 H2O H2 3 0.423800 1.0079 0 - 3913 H2O 633 H2O O1 4 -0.847600 15.9994 0 - 3914 H2O 633 H2O H1 3 0.423800 1.0079 0 - 3915 H2O 633 H2O H2 3 0.423800 1.0079 0 - 3916 H2O 634 H2O O1 4 -0.847600 15.9994 0 - 3917 H2O 634 H2O H1 3 0.423800 1.0079 0 - 3918 H2O 634 H2O H2 3 0.423800 1.0079 0 - 3919 H2O 635 H2O O1 4 -0.847600 15.9994 0 - 3920 H2O 635 H2O H1 3 0.423800 1.0079 0 - 3921 H2O 635 H2O H2 3 0.423800 1.0079 0 - 3922 H2O 636 H2O O1 4 -0.847600 15.9994 0 - 3923 H2O 636 H2O H1 3 0.423800 1.0079 0 - 3924 H2O 636 H2O H2 3 0.423800 1.0079 0 - 3925 H2O 637 H2O O1 4 -0.847600 15.9994 0 - 3926 H2O 637 H2O H1 3 0.423800 1.0079 0 - 3927 H2O 637 H2O H2 3 0.423800 1.0079 0 - 3928 H2O 638 H2O O1 4 -0.847600 15.9994 0 - 3929 H2O 638 H2O H1 3 0.423800 1.0079 0 - 3930 H2O 638 H2O H2 3 0.423800 1.0079 0 - 3931 H2O 639 H2O O1 4 -0.847600 15.9994 0 - 3932 H2O 639 H2O H1 3 0.423800 1.0079 0 - 3933 H2O 639 H2O H2 3 0.423800 1.0079 0 - 3934 H2O 640 H2O O1 4 -0.847600 15.9994 0 - 3935 H2O 640 H2O H1 3 0.423800 1.0079 0 - 3936 H2O 640 H2O H2 3 0.423800 1.0079 0 - 3937 H2O 641 H2O O1 4 -0.847600 15.9994 0 - 3938 H2O 641 H2O H1 3 0.423800 1.0079 0 - 3939 H2O 641 H2O H2 3 0.423800 1.0079 0 - 3940 H2O 642 H2O O1 4 -0.847600 15.9994 0 - 3941 H2O 642 H2O H1 3 0.423800 1.0079 0 - 3942 H2O 642 H2O H2 3 0.423800 1.0079 0 - 3943 H2O 643 H2O O1 4 -0.847600 15.9994 0 - 3944 H2O 643 H2O H1 3 0.423800 1.0079 0 - 3945 H2O 643 H2O H2 3 0.423800 1.0079 0 - 3946 H2O 644 H2O O1 4 -0.847600 15.9994 0 - 3947 H2O 644 H2O H1 3 0.423800 1.0079 0 - 3948 H2O 644 H2O H2 3 0.423800 1.0079 0 - 3949 H2O 645 H2O O1 4 -0.847600 15.9994 0 - 3950 H2O 645 H2O H1 3 0.423800 1.0079 0 - 3951 H2O 645 H2O H2 3 0.423800 1.0079 0 - 3952 H2O 646 H2O O1 4 -0.847600 15.9994 0 - 3953 H2O 646 H2O H1 3 0.423800 1.0079 0 - 3954 H2O 646 H2O H2 3 0.423800 1.0079 0 - 3955 H2O 647 H2O O1 4 -0.847600 15.9994 0 - 3956 H2O 647 H2O H1 3 0.423800 1.0079 0 - 3957 H2O 647 H2O H2 3 0.423800 1.0079 0 - 3958 H2O 648 H2O O1 4 -0.847600 15.9994 0 - 3959 H2O 648 H2O H1 3 0.423800 1.0079 0 - 3960 H2O 648 H2O H2 3 0.423800 1.0079 0 - 3961 H2O 649 H2O O1 4 -0.847600 15.9994 0 - 3962 H2O 649 H2O H1 3 0.423800 1.0079 0 - 3963 H2O 649 H2O H2 3 0.423800 1.0079 0 - 3964 H2O 650 H2O O1 4 -0.847600 15.9994 0 - 3965 H2O 650 H2O H1 3 0.423800 1.0079 0 - 3966 H2O 650 H2O H2 3 0.423800 1.0079 0 - 3967 H2O 651 H2O O1 4 -0.847600 15.9994 0 - 3968 H2O 651 H2O H1 3 0.423800 1.0079 0 - 3969 H2O 651 H2O H2 3 0.423800 1.0079 0 - 3970 H2O 652 H2O O1 4 -0.847600 15.9994 0 - 3971 H2O 652 H2O H1 3 0.423800 1.0079 0 - 3972 H2O 652 H2O H2 3 0.423800 1.0079 0 - 3973 H2O 653 H2O O1 4 -0.847600 15.9994 0 - 3974 H2O 653 H2O H1 3 0.423800 1.0079 0 - 3975 H2O 653 H2O H2 3 0.423800 1.0079 0 - 3976 H2O 654 H2O O1 4 -0.847600 15.9994 0 - 3977 H2O 654 H2O H1 3 0.423800 1.0079 0 - 3978 H2O 654 H2O H2 3 0.423800 1.0079 0 - 3979 H2O 655 H2O O1 4 -0.847600 15.9994 0 - 3980 H2O 655 H2O H1 3 0.423800 1.0079 0 - 3981 H2O 655 H2O H2 3 0.423800 1.0079 0 - 3982 H2O 656 H2O O1 4 -0.847600 15.9994 0 - 3983 H2O 656 H2O H1 3 0.423800 1.0079 0 - 3984 H2O 656 H2O H2 3 0.423800 1.0079 0 - 3985 H2O 657 H2O O1 4 -0.847600 15.9994 0 - 3986 H2O 657 H2O H1 3 0.423800 1.0079 0 - 3987 H2O 657 H2O H2 3 0.423800 1.0079 0 - 3988 H2O 658 H2O O1 4 -0.847600 15.9994 0 - 3989 H2O 658 H2O H1 3 0.423800 1.0079 0 - 3990 H2O 658 H2O H2 3 0.423800 1.0079 0 - 3991 H2O 659 H2O O1 4 -0.847600 15.9994 0 - 3992 H2O 659 H2O H1 3 0.423800 1.0079 0 - 3993 H2O 659 H2O H2 3 0.423800 1.0079 0 - 3994 H2O 660 H2O O1 4 -0.847600 15.9994 0 - 3995 H2O 660 H2O H1 3 0.423800 1.0079 0 - 3996 H2O 660 H2O H2 3 0.423800 1.0079 0 - 3997 H2O 661 H2O O1 4 -0.847600 15.9994 0 - 3998 H2O 661 H2O H1 3 0.423800 1.0079 0 - 3999 H2O 661 H2O H2 3 0.423800 1.0079 0 - 4000 H2O 662 H2O O1 4 -0.847600 15.9994 0 - 4001 H2O 662 H2O H1 3 0.423800 1.0079 0 - 4002 H2O 662 H2O H2 3 0.423800 1.0079 0 - 4003 H2O 663 H2O O1 4 -0.847600 15.9994 0 - 4004 H2O 663 H2O H1 3 0.423800 1.0079 0 - 4005 H2O 663 H2O H2 3 0.423800 1.0079 0 - 4006 H2O 664 H2O O1 4 -0.847600 15.9994 0 - 4007 H2O 664 H2O H1 3 0.423800 1.0079 0 - 4008 H2O 664 H2O H2 3 0.423800 1.0079 0 - 4009 H2O 665 H2O O1 4 -0.847600 15.9994 0 - 4010 H2O 665 H2O H1 3 0.423800 1.0079 0 - 4011 H2O 665 H2O H2 3 0.423800 1.0079 0 - 4012 H2O 666 H2O O1 4 -0.847600 15.9994 0 - 4013 H2O 666 H2O H1 3 0.423800 1.0079 0 - 4014 H2O 666 H2O H2 3 0.423800 1.0079 0 - 4015 H2O 667 H2O O1 4 -0.847600 15.9994 0 - 4016 H2O 667 H2O H1 3 0.423800 1.0079 0 - 4017 H2O 667 H2O H2 3 0.423800 1.0079 0 - 4018 H2O 668 H2O O1 4 -0.847600 15.9994 0 - 4019 H2O 668 H2O H1 3 0.423800 1.0079 0 - 4020 H2O 668 H2O H2 3 0.423800 1.0079 0 - 4021 H2O 669 H2O O1 4 -0.847600 15.9994 0 - 4022 H2O 669 H2O H1 3 0.423800 1.0079 0 - 4023 H2O 669 H2O H2 3 0.423800 1.0079 0 - 4024 H2O 670 H2O O1 4 -0.847600 15.9994 0 - 4025 H2O 670 H2O H1 3 0.423800 1.0079 0 - 4026 H2O 670 H2O H2 3 0.423800 1.0079 0 - 4027 H2O 671 H2O O1 4 -0.847600 15.9994 0 - 4028 H2O 671 H2O H1 3 0.423800 1.0079 0 - 4029 H2O 671 H2O H2 3 0.423800 1.0079 0 - 4030 H2O 672 H2O O1 4 -0.847600 15.9994 0 - 4031 H2O 672 H2O H1 3 0.423800 1.0079 0 - 4032 H2O 672 H2O H2 3 0.423800 1.0079 0 - 4033 H2O 673 H2O O1 4 -0.847600 15.9994 0 - 4034 H2O 673 H2O H1 3 0.423800 1.0079 0 - 4035 H2O 673 H2O H2 3 0.423800 1.0079 0 - 4036 H2O 674 H2O O1 4 -0.847600 15.9994 0 - 4037 H2O 674 H2O H1 3 0.423800 1.0079 0 - 4038 H2O 674 H2O H2 3 0.423800 1.0079 0 - 4039 H2O 675 H2O O1 4 -0.847600 15.9994 0 - 4040 H2O 675 H2O H1 3 0.423800 1.0079 0 - 4041 H2O 675 H2O H2 3 0.423800 1.0079 0 - 4042 H2O 676 H2O O1 4 -0.847600 15.9994 0 - 4043 H2O 676 H2O H1 3 0.423800 1.0079 0 - 4044 H2O 676 H2O H2 3 0.423800 1.0079 0 - 4045 H2O 677 H2O O1 4 -0.847600 15.9994 0 - 4046 H2O 677 H2O H1 3 0.423800 1.0079 0 - 4047 H2O 677 H2O H2 3 0.423800 1.0079 0 - 4048 H2O 678 H2O O1 4 -0.847600 15.9994 0 - 4049 H2O 678 H2O H1 3 0.423800 1.0079 0 - 4050 H2O 678 H2O H2 3 0.423800 1.0079 0 - 4051 H2O 679 H2O O1 4 -0.847600 15.9994 0 - 4052 H2O 679 H2O H1 3 0.423800 1.0079 0 - 4053 H2O 679 H2O H2 3 0.423800 1.0079 0 - 4054 H2O 680 H2O O1 4 -0.847600 15.9994 0 - 4055 H2O 680 H2O H1 3 0.423800 1.0079 0 - 4056 H2O 680 H2O H2 3 0.423800 1.0079 0 - 4057 H2O 681 H2O O1 4 -0.847600 15.9994 0 - 4058 H2O 681 H2O H1 3 0.423800 1.0079 0 - 4059 H2O 681 H2O H2 3 0.423800 1.0079 0 - 4060 H2O 682 H2O O1 4 -0.847600 15.9994 0 - 4061 H2O 682 H2O H1 3 0.423800 1.0079 0 - 4062 H2O 682 H2O H2 3 0.423800 1.0079 0 - 4063 H2O 683 H2O O1 4 -0.847600 15.9994 0 - 4064 H2O 683 H2O H1 3 0.423800 1.0079 0 - 4065 H2O 683 H2O H2 3 0.423800 1.0079 0 - 4066 H2O 684 H2O O1 4 -0.847600 15.9994 0 - 4067 H2O 684 H2O H1 3 0.423800 1.0079 0 - 4068 H2O 684 H2O H2 3 0.423800 1.0079 0 - 4069 H2O 685 H2O O1 4 -0.847600 15.9994 0 - 4070 H2O 685 H2O H1 3 0.423800 1.0079 0 - 4071 H2O 685 H2O H2 3 0.423800 1.0079 0 - 4072 H2O 686 H2O O1 4 -0.847600 15.9994 0 - 4073 H2O 686 H2O H1 3 0.423800 1.0079 0 - 4074 H2O 686 H2O H2 3 0.423800 1.0079 0 - 4075 H2O 687 H2O O1 4 -0.847600 15.9994 0 - 4076 H2O 687 H2O H1 3 0.423800 1.0079 0 - 4077 H2O 687 H2O H2 3 0.423800 1.0079 0 - 4078 H2O 688 H2O O1 4 -0.847600 15.9994 0 - 4079 H2O 688 H2O H1 3 0.423800 1.0079 0 - 4080 H2O 688 H2O H2 3 0.423800 1.0079 0 - 4081 H2O 689 H2O O1 4 -0.847600 15.9994 0 - 4082 H2O 689 H2O H1 3 0.423800 1.0079 0 - 4083 H2O 689 H2O H2 3 0.423800 1.0079 0 - 4084 H2O 690 H2O O1 4 -0.847600 15.9994 0 - 4085 H2O 690 H2O H1 3 0.423800 1.0079 0 - 4086 H2O 690 H2O H2 3 0.423800 1.0079 0 - 4087 H2O 691 H2O O1 4 -0.847600 15.9994 0 - 4088 H2O 691 H2O H1 3 0.423800 1.0079 0 - 4089 H2O 691 H2O H2 3 0.423800 1.0079 0 - 4090 H2O 692 H2O O1 4 -0.847600 15.9994 0 - 4091 H2O 692 H2O H1 3 0.423800 1.0079 0 - 4092 H2O 692 H2O H2 3 0.423800 1.0079 0 - 4093 H2O 693 H2O O1 4 -0.847600 15.9994 0 - 4094 H2O 693 H2O H1 3 0.423800 1.0079 0 - 4095 H2O 693 H2O H2 3 0.423800 1.0079 0 - 4096 H2O 694 H2O O1 4 -0.847600 15.9994 0 - 4097 H2O 694 H2O H1 3 0.423800 1.0079 0 - 4098 H2O 694 H2O H2 3 0.423800 1.0079 0 - 4099 H2O 695 H2O O1 4 -0.847600 15.9994 0 - 4100 H2O 695 H2O H1 3 0.423800 1.0079 0 - 4101 H2O 695 H2O H2 3 0.423800 1.0079 0 - 4102 H2O 696 H2O O1 4 -0.847600 15.9994 0 - 4103 H2O 696 H2O H1 3 0.423800 1.0079 0 - 4104 H2O 696 H2O H2 3 0.423800 1.0079 0 - 4105 H2O 697 H2O O1 4 -0.847600 15.9994 0 - 4106 H2O 697 H2O H1 3 0.423800 1.0079 0 - 4107 H2O 697 H2O H2 3 0.423800 1.0079 0 - 4108 H2O 698 H2O O1 4 -0.847600 15.9994 0 - 4109 H2O 698 H2O H1 3 0.423800 1.0079 0 - 4110 H2O 698 H2O H2 3 0.423800 1.0079 0 - 4111 H2O 699 H2O O1 4 -0.847600 15.9994 0 - 4112 H2O 699 H2O H1 3 0.423800 1.0079 0 - 4113 H2O 699 H2O H2 3 0.423800 1.0079 0 - 4114 H2O 700 H2O O1 4 -0.847600 15.9994 0 - 4115 H2O 700 H2O H1 3 0.423800 1.0079 0 - 4116 H2O 700 H2O H2 3 0.423800 1.0079 0 - 4117 H2O 701 H2O O1 4 -0.847600 15.9994 0 - 4118 H2O 701 H2O H1 3 0.423800 1.0079 0 - 4119 H2O 701 H2O H2 3 0.423800 1.0079 0 - 4120 H2O 702 H2O O1 4 -0.847600 15.9994 0 - 4121 H2O 702 H2O H1 3 0.423800 1.0079 0 - 4122 H2O 702 H2O H2 3 0.423800 1.0079 0 - 4123 H2O 703 H2O O1 4 -0.847600 15.9994 0 - 4124 H2O 703 H2O H1 3 0.423800 1.0079 0 - 4125 H2O 703 H2O H2 3 0.423800 1.0079 0 - 4126 H2O 704 H2O O1 4 -0.847600 15.9994 0 - 4127 H2O 704 H2O H1 3 0.423800 1.0079 0 - 4128 H2O 704 H2O H2 3 0.423800 1.0079 0 - 4129 H2O 705 H2O O1 4 -0.847600 15.9994 0 - 4130 H2O 705 H2O H1 3 0.423800 1.0079 0 - 4131 H2O 705 H2O H2 3 0.423800 1.0079 0 - 4132 H2O 706 H2O O1 4 -0.847600 15.9994 0 - 4133 H2O 706 H2O H1 3 0.423800 1.0079 0 - 4134 H2O 706 H2O H2 3 0.423800 1.0079 0 - 4135 H2O 707 H2O O1 4 -0.847600 15.9994 0 - 4136 H2O 707 H2O H1 3 0.423800 1.0079 0 - 4137 H2O 707 H2O H2 3 0.423800 1.0079 0 - 4138 H2O 708 H2O O1 4 -0.847600 15.9994 0 - 4139 H2O 708 H2O H1 3 0.423800 1.0079 0 - 4140 H2O 708 H2O H2 3 0.423800 1.0079 0 - 4141 H2O 709 H2O O1 4 -0.847600 15.9994 0 - 4142 H2O 709 H2O H1 3 0.423800 1.0079 0 - 4143 H2O 709 H2O H2 3 0.423800 1.0079 0 - 4144 H2O 710 H2O O1 4 -0.847600 15.9994 0 - 4145 H2O 710 H2O H1 3 0.423800 1.0079 0 - 4146 H2O 710 H2O H2 3 0.423800 1.0079 0 - 4147 H2O 711 H2O O1 4 -0.847600 15.9994 0 - 4148 H2O 711 H2O H1 3 0.423800 1.0079 0 - 4149 H2O 711 H2O H2 3 0.423800 1.0079 0 - 4150 H2O 712 H2O O1 4 -0.847600 15.9994 0 - 4151 H2O 712 H2O H1 3 0.423800 1.0079 0 - 4152 H2O 712 H2O H2 3 0.423800 1.0079 0 - 4153 H2O 713 H2O O1 4 -0.847600 15.9994 0 - 4154 H2O 713 H2O H1 3 0.423800 1.0079 0 - 4155 H2O 713 H2O H2 3 0.423800 1.0079 0 - 4156 H2O 714 H2O O1 4 -0.847600 15.9994 0 - 4157 H2O 714 H2O H1 3 0.423800 1.0079 0 - 4158 H2O 714 H2O H2 3 0.423800 1.0079 0 - 4159 H2O 715 H2O O1 4 -0.847600 15.9994 0 - 4160 H2O 715 H2O H1 3 0.423800 1.0079 0 - 4161 H2O 715 H2O H2 3 0.423800 1.0079 0 - 4162 H2O 716 H2O O1 4 -0.847600 15.9994 0 - 4163 H2O 716 H2O H1 3 0.423800 1.0079 0 - 4164 H2O 716 H2O H2 3 0.423800 1.0079 0 - 4165 H2O 717 H2O O1 4 -0.847600 15.9994 0 - 4166 H2O 717 H2O H1 3 0.423800 1.0079 0 - 4167 H2O 717 H2O H2 3 0.423800 1.0079 0 - 4168 H2O 718 H2O O1 4 -0.847600 15.9994 0 - 4169 H2O 718 H2O H1 3 0.423800 1.0079 0 - 4170 H2O 718 H2O H2 3 0.423800 1.0079 0 - 4171 H2O 719 H2O O1 4 -0.847600 15.9994 0 - 4172 H2O 719 H2O H1 3 0.423800 1.0079 0 - 4173 H2O 719 H2O H2 3 0.423800 1.0079 0 - 4174 H2O 720 H2O O1 4 -0.847600 15.9994 0 - 4175 H2O 720 H2O H1 3 0.423800 1.0079 0 - 4176 H2O 720 H2O H2 3 0.423800 1.0079 0 - 4177 H2O 721 H2O O1 4 -0.847600 15.9994 0 - 4178 H2O 721 H2O H1 3 0.423800 1.0079 0 - 4179 H2O 721 H2O H2 3 0.423800 1.0079 0 - 4180 H2O 722 H2O O1 4 -0.847600 15.9994 0 - 4181 H2O 722 H2O H1 3 0.423800 1.0079 0 - 4182 H2O 722 H2O H2 3 0.423800 1.0079 0 - 4183 H2O 723 H2O O1 4 -0.847600 15.9994 0 - 4184 H2O 723 H2O H1 3 0.423800 1.0079 0 - 4185 H2O 723 H2O H2 3 0.423800 1.0079 0 - 4186 H2O 724 H2O O1 4 -0.847600 15.9994 0 - 4187 H2O 724 H2O H1 3 0.423800 1.0079 0 - 4188 H2O 724 H2O H2 3 0.423800 1.0079 0 - 4189 H2O 725 H2O O1 4 -0.847600 15.9994 0 - 4190 H2O 725 H2O H1 3 0.423800 1.0079 0 - 4191 H2O 725 H2O H2 3 0.423800 1.0079 0 - 4192 H2O 726 H2O O1 4 -0.847600 15.9994 0 - 4193 H2O 726 H2O H1 3 0.423800 1.0079 0 - 4194 H2O 726 H2O H2 3 0.423800 1.0079 0 - 4195 H2O 727 H2O O1 4 -0.847600 15.9994 0 - 4196 H2O 727 H2O H1 3 0.423800 1.0079 0 - 4197 H2O 727 H2O H2 3 0.423800 1.0079 0 - 4198 H2O 728 H2O O1 4 -0.847600 15.9994 0 - 4199 H2O 728 H2O H1 3 0.423800 1.0079 0 - 4200 H2O 728 H2O H2 3 0.423800 1.0079 0 - 4201 H2O 729 H2O O1 4 -0.847600 15.9994 0 - 4202 H2O 729 H2O H1 3 0.423800 1.0079 0 - 4203 H2O 729 H2O H2 3 0.423800 1.0079 0 - 4204 H2O 730 H2O O1 4 -0.847600 15.9994 0 - 4205 H2O 730 H2O H1 3 0.423800 1.0079 0 - 4206 H2O 730 H2O H2 3 0.423800 1.0079 0 - 4207 H2O 731 H2O O1 4 -0.847600 15.9994 0 - 4208 H2O 731 H2O H1 3 0.423800 1.0079 0 - 4209 H2O 731 H2O H2 3 0.423800 1.0079 0 - 4210 H2O 732 H2O O1 4 -0.847600 15.9994 0 - 4211 H2O 732 H2O H1 3 0.423800 1.0079 0 - 4212 H2O 732 H2O H2 3 0.423800 1.0079 0 - 4213 H2O 733 H2O O1 4 -0.847600 15.9994 0 - 4214 H2O 733 H2O H1 3 0.423800 1.0079 0 - 4215 H2O 733 H2O H2 3 0.423800 1.0079 0 - 4216 H2O 734 H2O O1 4 -0.847600 15.9994 0 - 4217 H2O 734 H2O H1 3 0.423800 1.0079 0 - 4218 H2O 734 H2O H2 3 0.423800 1.0079 0 - 4219 H2O 735 H2O O1 4 -0.847600 15.9994 0 - 4220 H2O 735 H2O H1 3 0.423800 1.0079 0 - 4221 H2O 735 H2O H2 3 0.423800 1.0079 0 - 4222 H2O 736 H2O O1 4 -0.847600 15.9994 0 - 4223 H2O 736 H2O H1 3 0.423800 1.0079 0 - 4224 H2O 736 H2O H2 3 0.423800 1.0079 0 - 4225 H2O 737 H2O O1 4 -0.847600 15.9994 0 - 4226 H2O 737 H2O H1 3 0.423800 1.0079 0 - 4227 H2O 737 H2O H2 3 0.423800 1.0079 0 - 4228 H2O 738 H2O O1 4 -0.847600 15.9994 0 - 4229 H2O 738 H2O H1 3 0.423800 1.0079 0 - 4230 H2O 738 H2O H2 3 0.423800 1.0079 0 - 4231 H2O 739 H2O O1 4 -0.847600 15.9994 0 - 4232 H2O 739 H2O H1 3 0.423800 1.0079 0 - 4233 H2O 739 H2O H2 3 0.423800 1.0079 0 - 4234 H2O 740 H2O O1 4 -0.847600 15.9994 0 - 4235 H2O 740 H2O H1 3 0.423800 1.0079 0 - 4236 H2O 740 H2O H2 3 0.423800 1.0079 0 - 4237 H2O 741 H2O O1 4 -0.847600 15.9994 0 - 4238 H2O 741 H2O H1 3 0.423800 1.0079 0 - 4239 H2O 741 H2O H2 3 0.423800 1.0079 0 - 4240 H2O 742 H2O O1 4 -0.847600 15.9994 0 - 4241 H2O 742 H2O H1 3 0.423800 1.0079 0 - 4242 H2O 742 H2O H2 3 0.423800 1.0079 0 - 4243 H2O 743 H2O O1 4 -0.847600 15.9994 0 - 4244 H2O 743 H2O H1 3 0.423800 1.0079 0 - 4245 H2O 743 H2O H2 3 0.423800 1.0079 0 - 4246 H2O 744 H2O O1 4 -0.847600 15.9994 0 - 4247 H2O 744 H2O H1 3 0.423800 1.0079 0 - 4248 H2O 744 H2O H2 3 0.423800 1.0079 0 - 4249 H2O 745 H2O O1 4 -0.847600 15.9994 0 - 4250 H2O 745 H2O H1 3 0.423800 1.0079 0 - 4251 H2O 745 H2O H2 3 0.423800 1.0079 0 - 4252 H2O 746 H2O O1 4 -0.847600 15.9994 0 - 4253 H2O 746 H2O H1 3 0.423800 1.0079 0 - 4254 H2O 746 H2O H2 3 0.423800 1.0079 0 - 4255 H2O 747 H2O O1 4 -0.847600 15.9994 0 - 4256 H2O 747 H2O H1 3 0.423800 1.0079 0 - 4257 H2O 747 H2O H2 3 0.423800 1.0079 0 - 4258 H2O 748 H2O O1 4 -0.847600 15.9994 0 - 4259 H2O 748 H2O H1 3 0.423800 1.0079 0 - 4260 H2O 748 H2O H2 3 0.423800 1.0079 0 - 4261 H2O 749 H2O O1 4 -0.847600 15.9994 0 - 4262 H2O 749 H2O H1 3 0.423800 1.0079 0 - 4263 H2O 749 H2O H2 3 0.423800 1.0079 0 - 4264 H2O 750 H2O O1 4 -0.847600 15.9994 0 - 4265 H2O 750 H2O H1 3 0.423800 1.0079 0 - 4266 H2O 750 H2O H2 3 0.423800 1.0079 0 - 4267 H2O 751 H2O O1 4 -0.847600 15.9994 0 - 4268 H2O 751 H2O H1 3 0.423800 1.0079 0 - 4269 H2O 751 H2O H2 3 0.423800 1.0079 0 - 4270 H2O 752 H2O O1 4 -0.847600 15.9994 0 - 4271 H2O 752 H2O H1 3 0.423800 1.0079 0 - 4272 H2O 752 H2O H2 3 0.423800 1.0079 0 - 4273 H2O 753 H2O O1 4 -0.847600 15.9994 0 - 4274 H2O 753 H2O H1 3 0.423800 1.0079 0 - 4275 H2O 753 H2O H2 3 0.423800 1.0079 0 - 4276 H2O 754 H2O O1 4 -0.847600 15.9994 0 - 4277 H2O 754 H2O H1 3 0.423800 1.0079 0 - 4278 H2O 754 H2O H2 3 0.423800 1.0079 0 - 4279 H2O 755 H2O O1 4 -0.847600 15.9994 0 - 4280 H2O 755 H2O H1 3 0.423800 1.0079 0 - 4281 H2O 755 H2O H2 3 0.423800 1.0079 0 - 4282 H2O 756 H2O O1 4 -0.847600 15.9994 0 - 4283 H2O 756 H2O H1 3 0.423800 1.0079 0 - 4284 H2O 756 H2O H2 3 0.423800 1.0079 0 - 4285 H2O 757 H2O O1 4 -0.847600 15.9994 0 - 4286 H2O 757 H2O H1 3 0.423800 1.0079 0 - 4287 H2O 757 H2O H2 3 0.423800 1.0079 0 - 4288 H2O 758 H2O O1 4 -0.847600 15.9994 0 - 4289 H2O 758 H2O H1 3 0.423800 1.0079 0 - 4290 H2O 758 H2O H2 3 0.423800 1.0079 0 - 4291 H2O 759 H2O O1 4 -0.847600 15.9994 0 - 4292 H2O 759 H2O H1 3 0.423800 1.0079 0 - 4293 H2O 759 H2O H2 3 0.423800 1.0079 0 - 4294 H2O 760 H2O O1 4 -0.847600 15.9994 0 - 4295 H2O 760 H2O H1 3 0.423800 1.0079 0 - 4296 H2O 760 H2O H2 3 0.423800 1.0079 0 - 4297 H2O 761 H2O O1 4 -0.847600 15.9994 0 - 4298 H2O 761 H2O H1 3 0.423800 1.0079 0 - 4299 H2O 761 H2O H2 3 0.423800 1.0079 0 - 4300 H2O 762 H2O O1 4 -0.847600 15.9994 0 - 4301 H2O 762 H2O H1 3 0.423800 1.0079 0 - 4302 H2O 762 H2O H2 3 0.423800 1.0079 0 - 4303 H2O 763 H2O O1 4 -0.847600 15.9994 0 - 4304 H2O 763 H2O H1 3 0.423800 1.0079 0 - 4305 H2O 763 H2O H2 3 0.423800 1.0079 0 - 4306 H2O 764 H2O O1 4 -0.847600 15.9994 0 - 4307 H2O 764 H2O H1 3 0.423800 1.0079 0 - 4308 H2O 764 H2O H2 3 0.423800 1.0079 0 - 4309 H2O 765 H2O O1 4 -0.847600 15.9994 0 - 4310 H2O 765 H2O H1 3 0.423800 1.0079 0 - 4311 H2O 765 H2O H2 3 0.423800 1.0079 0 - 4312 H2O 766 H2O O1 4 -0.847600 15.9994 0 - 4313 H2O 766 H2O H1 3 0.423800 1.0079 0 - 4314 H2O 766 H2O H2 3 0.423800 1.0079 0 - 4315 H2O 767 H2O O1 4 -0.847600 15.9994 0 - 4316 H2O 767 H2O H1 3 0.423800 1.0079 0 - 4317 H2O 767 H2O H2 3 0.423800 1.0079 0 - 4318 H2O 768 H2O O1 4 -0.847600 15.9994 0 - 4319 H2O 768 H2O H1 3 0.423800 1.0079 0 - 4320 H2O 768 H2O H2 3 0.423800 1.0079 0 - 4321 H2O 769 H2O O1 4 -0.847600 15.9994 0 - 4322 H2O 769 H2O H1 3 0.423800 1.0079 0 - 4323 H2O 769 H2O H2 3 0.423800 1.0079 0 - 4324 H2O 770 H2O O1 4 -0.847600 15.9994 0 - 4325 H2O 770 H2O H1 3 0.423800 1.0079 0 - 4326 H2O 770 H2O H2 3 0.423800 1.0079 0 - 4327 H2O 771 H2O O1 4 -0.847600 15.9994 0 - 4328 H2O 771 H2O H1 3 0.423800 1.0079 0 - 4329 H2O 771 H2O H2 3 0.423800 1.0079 0 - 4330 H2O 772 H2O O1 4 -0.847600 15.9994 0 - 4331 H2O 772 H2O H1 3 0.423800 1.0079 0 - 4332 H2O 772 H2O H2 3 0.423800 1.0079 0 - 4333 H2O 773 H2O O1 4 -0.847600 15.9994 0 - 4334 H2O 773 H2O H1 3 0.423800 1.0079 0 - 4335 H2O 773 H2O H2 3 0.423800 1.0079 0 - 4336 H2O 774 H2O O1 4 -0.847600 15.9994 0 - 4337 H2O 774 H2O H1 3 0.423800 1.0079 0 - 4338 H2O 774 H2O H2 3 0.423800 1.0079 0 - 4339 H2O 775 H2O O1 4 -0.847600 15.9994 0 - 4340 H2O 775 H2O H1 3 0.423800 1.0079 0 - 4341 H2O 775 H2O H2 3 0.423800 1.0079 0 - 4342 H2O 776 H2O O1 4 -0.847600 15.9994 0 - 4343 H2O 776 H2O H1 3 0.423800 1.0079 0 - 4344 H2O 776 H2O H2 3 0.423800 1.0079 0 - 4345 H2O 777 H2O O1 4 -0.847600 15.9994 0 - 4346 H2O 777 H2O H1 3 0.423800 1.0079 0 - 4347 H2O 777 H2O H2 3 0.423800 1.0079 0 - 4348 H2O 778 H2O O1 4 -0.847600 15.9994 0 - 4349 H2O 778 H2O H1 3 0.423800 1.0079 0 - 4350 H2O 778 H2O H2 3 0.423800 1.0079 0 - 4351 H2O 779 H2O O1 4 -0.847600 15.9994 0 - 4352 H2O 779 H2O H1 3 0.423800 1.0079 0 - 4353 H2O 779 H2O H2 3 0.423800 1.0079 0 - 4354 H2O 780 H2O O1 4 -0.847600 15.9994 0 - 4355 H2O 780 H2O H1 3 0.423800 1.0079 0 - 4356 H2O 780 H2O H2 3 0.423800 1.0079 0 - 4357 H2O 781 H2O O1 4 -0.847600 15.9994 0 - 4358 H2O 781 H2O H1 3 0.423800 1.0079 0 - 4359 H2O 781 H2O H2 3 0.423800 1.0079 0 - 4360 H2O 782 H2O O1 4 -0.847600 15.9994 0 - 4361 H2O 782 H2O H1 3 0.423800 1.0079 0 - 4362 H2O 782 H2O H2 3 0.423800 1.0079 0 - 4363 H2O 783 H2O O1 4 -0.847600 15.9994 0 - 4364 H2O 783 H2O H1 3 0.423800 1.0079 0 - 4365 H2O 783 H2O H2 3 0.423800 1.0079 0 - 4366 H2O 784 H2O O1 4 -0.847600 15.9994 0 - 4367 H2O 784 H2O H1 3 0.423800 1.0079 0 - 4368 H2O 784 H2O H2 3 0.423800 1.0079 0 - 4369 H2O 785 H2O O1 4 -0.847600 15.9994 0 - 4370 H2O 785 H2O H1 3 0.423800 1.0079 0 - 4371 H2O 785 H2O H2 3 0.423800 1.0079 0 - 4372 H2O 786 H2O O1 4 -0.847600 15.9994 0 - 4373 H2O 786 H2O H1 3 0.423800 1.0079 0 - 4374 H2O 786 H2O H2 3 0.423800 1.0079 0 - 4375 H2O 787 H2O O1 4 -0.847600 15.9994 0 - 4376 H2O 787 H2O H1 3 0.423800 1.0079 0 - 4377 H2O 787 H2O H2 3 0.423800 1.0079 0 - 4378 H2O 788 H2O O1 4 -0.847600 15.9994 0 - 4379 H2O 788 H2O H1 3 0.423800 1.0079 0 - 4380 H2O 788 H2O H2 3 0.423800 1.0079 0 - 4381 H2O 789 H2O O1 4 -0.847600 15.9994 0 - 4382 H2O 789 H2O H1 3 0.423800 1.0079 0 - 4383 H2O 789 H2O H2 3 0.423800 1.0079 0 - 4384 H2O 790 H2O O1 4 -0.847600 15.9994 0 - 4385 H2O 790 H2O H1 3 0.423800 1.0079 0 - 4386 H2O 790 H2O H2 3 0.423800 1.0079 0 - 4387 H2O 791 H2O O1 4 -0.847600 15.9994 0 - 4388 H2O 791 H2O H1 3 0.423800 1.0079 0 - 4389 H2O 791 H2O H2 3 0.423800 1.0079 0 - 4390 H2O 792 H2O O1 4 -0.847600 15.9994 0 - 4391 H2O 792 H2O H1 3 0.423800 1.0079 0 - 4392 H2O 792 H2O H2 3 0.423800 1.0079 0 - 4393 H2O 793 H2O O1 4 -0.847600 15.9994 0 - 4394 H2O 793 H2O H1 3 0.423800 1.0079 0 - 4395 H2O 793 H2O H2 3 0.423800 1.0079 0 - 4396 H2O 794 H2O O1 4 -0.847600 15.9994 0 - 4397 H2O 794 H2O H1 3 0.423800 1.0079 0 - 4398 H2O 794 H2O H2 3 0.423800 1.0079 0 - 4399 H2O 795 H2O O1 4 -0.847600 15.9994 0 - 4400 H2O 795 H2O H1 3 0.423800 1.0079 0 - 4401 H2O 795 H2O H2 3 0.423800 1.0079 0 - 4402 H2O 796 H2O O1 4 -0.847600 15.9994 0 - 4403 H2O 796 H2O H1 3 0.423800 1.0079 0 - 4404 H2O 796 H2O H2 3 0.423800 1.0079 0 - 4405 H2O 797 H2O O1 4 -0.847600 15.9994 0 - 4406 H2O 797 H2O H1 3 0.423800 1.0079 0 - 4407 H2O 797 H2O H2 3 0.423800 1.0079 0 - 4408 H2O 798 H2O O1 4 -0.847600 15.9994 0 - 4409 H2O 798 H2O H1 3 0.423800 1.0079 0 - 4410 H2O 798 H2O H2 3 0.423800 1.0079 0 - 4411 H2O 799 H2O O1 4 -0.847600 15.9994 0 - 4412 H2O 799 H2O H1 3 0.423800 1.0079 0 - 4413 H2O 799 H2O H2 3 0.423800 1.0079 0 - 4414 H2O 800 H2O O1 4 -0.847600 15.9994 0 - 4415 H2O 800 H2O H1 3 0.423800 1.0079 0 - 4416 H2O 800 H2O H2 3 0.423800 1.0079 0 - 4417 H2O 801 H2O O1 4 -0.847600 15.9994 0 - 4418 H2O 801 H2O H1 3 0.423800 1.0079 0 - 4419 H2O 801 H2O H2 3 0.423800 1.0079 0 - 4420 H2O 802 H2O O1 4 -0.847600 15.9994 0 - 4421 H2O 802 H2O H1 3 0.423800 1.0079 0 - 4422 H2O 802 H2O H2 3 0.423800 1.0079 0 - 4423 H2O 803 H2O O1 4 -0.847600 15.9994 0 - 4424 H2O 803 H2O H1 3 0.423800 1.0079 0 - 4425 H2O 803 H2O H2 3 0.423800 1.0079 0 - 4426 H2O 804 H2O O1 4 -0.847600 15.9994 0 - 4427 H2O 804 H2O H1 3 0.423800 1.0079 0 - 4428 H2O 804 H2O H2 3 0.423800 1.0079 0 - 4429 H2O 805 H2O O1 4 -0.847600 15.9994 0 - 4430 H2O 805 H2O H1 3 0.423800 1.0079 0 - 4431 H2O 805 H2O H2 3 0.423800 1.0079 0 - 4432 H2O 806 H2O O1 4 -0.847600 15.9994 0 - 4433 H2O 806 H2O H1 3 0.423800 1.0079 0 - 4434 H2O 806 H2O H2 3 0.423800 1.0079 0 - 4435 H2O 807 H2O O1 4 -0.847600 15.9994 0 - 4436 H2O 807 H2O H1 3 0.423800 1.0079 0 - 4437 H2O 807 H2O H2 3 0.423800 1.0079 0 - 4438 H2O 808 H2O O1 4 -0.847600 15.9994 0 - 4439 H2O 808 H2O H1 3 0.423800 1.0079 0 - 4440 H2O 808 H2O H2 3 0.423800 1.0079 0 - 4441 H2O 809 H2O O1 4 -0.847600 15.9994 0 - 4442 H2O 809 H2O H1 3 0.423800 1.0079 0 - 4443 H2O 809 H2O H2 3 0.423800 1.0079 0 - 4444 H2O 810 H2O O1 4 -0.847600 15.9994 0 - 4445 H2O 810 H2O H1 3 0.423800 1.0079 0 - 4446 H2O 810 H2O H2 3 0.423800 1.0079 0 - 4447 H2O 811 H2O O1 4 -0.847600 15.9994 0 - 4448 H2O 811 H2O H1 3 0.423800 1.0079 0 - 4449 H2O 811 H2O H2 3 0.423800 1.0079 0 - 4450 H2O 812 H2O O1 4 -0.847600 15.9994 0 - 4451 H2O 812 H2O H1 3 0.423800 1.0079 0 - 4452 H2O 812 H2O H2 3 0.423800 1.0079 0 - 4453 H2O 813 H2O O1 4 -0.847600 15.9994 0 - 4454 H2O 813 H2O H1 3 0.423800 1.0079 0 - 4455 H2O 813 H2O H2 3 0.423800 1.0079 0 - 4456 H2O 814 H2O O1 4 -0.847600 15.9994 0 - 4457 H2O 814 H2O H1 3 0.423800 1.0079 0 - 4458 H2O 814 H2O H2 3 0.423800 1.0079 0 - 4459 H2O 815 H2O O1 4 -0.847600 15.9994 0 - 4460 H2O 815 H2O H1 3 0.423800 1.0079 0 - 4461 H2O 815 H2O H2 3 0.423800 1.0079 0 - 4462 H2O 816 H2O O1 4 -0.847600 15.9994 0 - 4463 H2O 816 H2O H1 3 0.423800 1.0079 0 - 4464 H2O 816 H2O H2 3 0.423800 1.0079 0 - 4465 H2O 817 H2O O1 4 -0.847600 15.9994 0 - 4466 H2O 817 H2O H1 3 0.423800 1.0079 0 - 4467 H2O 817 H2O H2 3 0.423800 1.0079 0 - 4468 H2O 818 H2O O1 4 -0.847600 15.9994 0 - 4469 H2O 818 H2O H1 3 0.423800 1.0079 0 - 4470 H2O 818 H2O H2 3 0.423800 1.0079 0 - 4471 H2O 819 H2O O1 4 -0.847600 15.9994 0 - 4472 H2O 819 H2O H1 3 0.423800 1.0079 0 - 4473 H2O 819 H2O H2 3 0.423800 1.0079 0 - 4474 H2O 820 H2O O1 4 -0.847600 15.9994 0 - 4475 H2O 820 H2O H1 3 0.423800 1.0079 0 - 4476 H2O 820 H2O H2 3 0.423800 1.0079 0 - 4477 H2O 821 H2O O1 4 -0.847600 15.9994 0 - 4478 H2O 821 H2O H1 3 0.423800 1.0079 0 - 4479 H2O 821 H2O H2 3 0.423800 1.0079 0 - 4480 H2O 822 H2O O1 4 -0.847600 15.9994 0 - 4481 H2O 822 H2O H1 3 0.423800 1.0079 0 - 4482 H2O 822 H2O H2 3 0.423800 1.0079 0 - 4483 H2O 823 H2O O1 4 -0.847600 15.9994 0 - 4484 H2O 823 H2O H1 3 0.423800 1.0079 0 - 4485 H2O 823 H2O H2 3 0.423800 1.0079 0 - 4486 H2O 824 H2O O1 4 -0.847600 15.9994 0 - 4487 H2O 824 H2O H1 3 0.423800 1.0079 0 - 4488 H2O 824 H2O H2 3 0.423800 1.0079 0 - 4489 H2O 825 H2O O1 4 -0.847600 15.9994 0 - 4490 H2O 825 H2O H1 3 0.423800 1.0079 0 - 4491 H2O 825 H2O H2 3 0.423800 1.0079 0 - 4492 H2O 826 H2O O1 4 -0.847600 15.9994 0 - 4493 H2O 826 H2O H1 3 0.423800 1.0079 0 - 4494 H2O 826 H2O H2 3 0.423800 1.0079 0 - 4495 H2O 827 H2O O1 4 -0.847600 15.9994 0 - 4496 H2O 827 H2O H1 3 0.423800 1.0079 0 - 4497 H2O 827 H2O H2 3 0.423800 1.0079 0 - 4498 H2O 828 H2O O1 4 -0.847600 15.9994 0 - 4499 H2O 828 H2O H1 3 0.423800 1.0079 0 - 4500 H2O 828 H2O H2 3 0.423800 1.0079 0 - 4501 H2O 829 H2O O1 4 -0.847600 15.9994 0 - 4502 H2O 829 H2O H1 3 0.423800 1.0079 0 - 4503 H2O 829 H2O H2 3 0.423800 1.0079 0 - 4504 H2O 830 H2O O1 4 -0.847600 15.9994 0 - 4505 H2O 830 H2O H1 3 0.423800 1.0079 0 - 4506 H2O 830 H2O H2 3 0.423800 1.0079 0 - 4507 H2O 831 H2O O1 4 -0.847600 15.9994 0 - 4508 H2O 831 H2O H1 3 0.423800 1.0079 0 - 4509 H2O 831 H2O H2 3 0.423800 1.0079 0 - 4510 H2O 832 H2O O1 4 -0.847600 15.9994 0 - 4511 H2O 832 H2O H1 3 0.423800 1.0079 0 - 4512 H2O 832 H2O H2 3 0.423800 1.0079 0 - 4513 H2O 833 H2O O1 4 -0.847600 15.9994 0 - 4514 H2O 833 H2O H1 3 0.423800 1.0079 0 - 4515 H2O 833 H2O H2 3 0.423800 1.0079 0 - 4516 H2O 834 H2O O1 4 -0.847600 15.9994 0 - 4517 H2O 834 H2O H1 3 0.423800 1.0079 0 - 4518 H2O 834 H2O H2 3 0.423800 1.0079 0 - 4519 H2O 835 H2O O1 4 -0.847600 15.9994 0 - 4520 H2O 835 H2O H1 3 0.423800 1.0079 0 - 4521 H2O 835 H2O H2 3 0.423800 1.0079 0 - 4522 H2O 836 H2O O1 4 -0.847600 15.9994 0 - 4523 H2O 836 H2O H1 3 0.423800 1.0079 0 - 4524 H2O 836 H2O H2 3 0.423800 1.0079 0 - 4525 H2O 837 H2O O1 4 -0.847600 15.9994 0 - 4526 H2O 837 H2O H1 3 0.423800 1.0079 0 - 4527 H2O 837 H2O H2 3 0.423800 1.0079 0 - 4528 H2O 838 H2O O1 4 -0.847600 15.9994 0 - 4529 H2O 838 H2O H1 3 0.423800 1.0079 0 - 4530 H2O 838 H2O H2 3 0.423800 1.0079 0 - 4531 H2O 839 H2O O1 4 -0.847600 15.9994 0 - 4532 H2O 839 H2O H1 3 0.423800 1.0079 0 - 4533 H2O 839 H2O H2 3 0.423800 1.0079 0 - 4534 H2O 840 H2O O1 4 -0.847600 15.9994 0 - 4535 H2O 840 H2O H1 3 0.423800 1.0079 0 - 4536 H2O 840 H2O H2 3 0.423800 1.0079 0 - 4537 H2O 841 H2O O1 4 -0.847600 15.9994 0 - 4538 H2O 841 H2O H1 3 0.423800 1.0079 0 - 4539 H2O 841 H2O H2 3 0.423800 1.0079 0 - 4540 H2O 842 H2O O1 4 -0.847600 15.9994 0 - 4541 H2O 842 H2O H1 3 0.423800 1.0079 0 - 4542 H2O 842 H2O H2 3 0.423800 1.0079 0 - 4543 H2O 843 H2O O1 4 -0.847600 15.9994 0 - 4544 H2O 843 H2O H1 3 0.423800 1.0079 0 - 4545 H2O 843 H2O H2 3 0.423800 1.0079 0 - 4546 H2O 844 H2O O1 4 -0.847600 15.9994 0 - 4547 H2O 844 H2O H1 3 0.423800 1.0079 0 - 4548 H2O 844 H2O H2 3 0.423800 1.0079 0 - 4549 H2O 845 H2O O1 4 -0.847600 15.9994 0 - 4550 H2O 845 H2O H1 3 0.423800 1.0079 0 - 4551 H2O 845 H2O H2 3 0.423800 1.0079 0 - 4552 H2O 846 H2O O1 4 -0.847600 15.9994 0 - 4553 H2O 846 H2O H1 3 0.423800 1.0079 0 - 4554 H2O 846 H2O H2 3 0.423800 1.0079 0 - 4555 H2O 847 H2O O1 4 -0.847600 15.9994 0 - 4556 H2O 847 H2O H1 3 0.423800 1.0079 0 - 4557 H2O 847 H2O H2 3 0.423800 1.0079 0 - 4558 H2O 848 H2O O1 4 -0.847600 15.9994 0 - 4559 H2O 848 H2O H1 3 0.423800 1.0079 0 - 4560 H2O 848 H2O H2 3 0.423800 1.0079 0 - 4561 H2O 849 H2O O1 4 -0.847600 15.9994 0 - 4562 H2O 849 H2O H1 3 0.423800 1.0079 0 - 4563 H2O 849 H2O H2 3 0.423800 1.0079 0 - 4564 H2O 850 H2O O1 4 -0.847600 15.9994 0 - 4565 H2O 850 H2O H1 3 0.423800 1.0079 0 - 4566 H2O 850 H2O H2 3 0.423800 1.0079 0 - 4567 H2O 851 H2O O1 4 -0.847600 15.9994 0 - 4568 H2O 851 H2O H1 3 0.423800 1.0079 0 - 4569 H2O 851 H2O H2 3 0.423800 1.0079 0 - 4570 H2O 852 H2O O1 4 -0.847600 15.9994 0 - 4571 H2O 852 H2O H1 3 0.423800 1.0079 0 - 4572 H2O 852 H2O H2 3 0.423800 1.0079 0 - 4573 H2O 853 H2O O1 4 -0.847600 15.9994 0 - 4574 H2O 853 H2O H1 3 0.423800 1.0079 0 - 4575 H2O 853 H2O H2 3 0.423800 1.0079 0 - 4576 H2O 854 H2O O1 4 -0.847600 15.9994 0 - 4577 H2O 854 H2O H1 3 0.423800 1.0079 0 - 4578 H2O 854 H2O H2 3 0.423800 1.0079 0 - 4579 H2O 855 H2O O1 4 -0.847600 15.9994 0 - 4580 H2O 855 H2O H1 3 0.423800 1.0079 0 - 4581 H2O 855 H2O H2 3 0.423800 1.0079 0 - 4582 H2O 856 H2O O1 4 -0.847600 15.9994 0 - 4583 H2O 856 H2O H1 3 0.423800 1.0079 0 - 4584 H2O 856 H2O H2 3 0.423800 1.0079 0 - 4585 H2O 857 H2O O1 4 -0.847600 15.9994 0 - 4586 H2O 857 H2O H1 3 0.423800 1.0079 0 - 4587 H2O 857 H2O H2 3 0.423800 1.0079 0 - 4588 H2O 858 H2O O1 4 -0.847600 15.9994 0 - 4589 H2O 858 H2O H1 3 0.423800 1.0079 0 - 4590 H2O 858 H2O H2 3 0.423800 1.0079 0 - 4591 H2O 859 H2O O1 4 -0.847600 15.9994 0 - 4592 H2O 859 H2O H1 3 0.423800 1.0079 0 - 4593 H2O 859 H2O H2 3 0.423800 1.0079 0 - 4594 H2O 860 H2O O1 4 -0.847600 15.9994 0 - 4595 H2O 860 H2O H1 3 0.423800 1.0079 0 - 4596 H2O 860 H2O H2 3 0.423800 1.0079 0 - 4597 H2O 861 H2O O1 4 -0.847600 15.9994 0 - 4598 H2O 861 H2O H1 3 0.423800 1.0079 0 - 4599 H2O 861 H2O H2 3 0.423800 1.0079 0 - 4600 H2O 862 H2O O1 4 -0.847600 15.9994 0 - 4601 H2O 862 H2O H1 3 0.423800 1.0079 0 - 4602 H2O 862 H2O H2 3 0.423800 1.0079 0 - 4603 H2O 863 H2O O1 4 -0.847600 15.9994 0 - 4604 H2O 863 H2O H1 3 0.423800 1.0079 0 - 4605 H2O 863 H2O H2 3 0.423800 1.0079 0 - 4606 H2O 864 H2O O1 4 -0.847600 15.9994 0 - 4607 H2O 864 H2O H1 3 0.423800 1.0079 0 - 4608 H2O 864 H2O H2 3 0.423800 1.0079 0 - 4609 H2O 865 H2O O1 4 -0.847600 15.9994 0 - 4610 H2O 865 H2O H1 3 0.423800 1.0079 0 - 4611 H2O 865 H2O H2 3 0.423800 1.0079 0 - 4612 H2O 866 H2O O1 4 -0.847600 15.9994 0 - 4613 H2O 866 H2O H1 3 0.423800 1.0079 0 - 4614 H2O 866 H2O H2 3 0.423800 1.0079 0 - 4615 H2O 867 H2O O1 4 -0.847600 15.9994 0 - 4616 H2O 867 H2O H1 3 0.423800 1.0079 0 - 4617 H2O 867 H2O H2 3 0.423800 1.0079 0 - 4618 H2O 868 H2O O1 4 -0.847600 15.9994 0 - 4619 H2O 868 H2O H1 3 0.423800 1.0079 0 - 4620 H2O 868 H2O H2 3 0.423800 1.0079 0 - 4621 H2O 869 H2O O1 4 -0.847600 15.9994 0 - 4622 H2O 869 H2O H1 3 0.423800 1.0079 0 - 4623 H2O 869 H2O H2 3 0.423800 1.0079 0 - 4624 H2O 870 H2O O1 4 -0.847600 15.9994 0 - 4625 H2O 870 H2O H1 3 0.423800 1.0079 0 - 4626 H2O 870 H2O H2 3 0.423800 1.0079 0 - 4627 H2O 871 H2O O1 4 -0.847600 15.9994 0 - 4628 H2O 871 H2O H1 3 0.423800 1.0079 0 - 4629 H2O 871 H2O H2 3 0.423800 1.0079 0 - 4630 H2O 872 H2O O1 4 -0.847600 15.9994 0 - 4631 H2O 872 H2O H1 3 0.423800 1.0079 0 - 4632 H2O 872 H2O H2 3 0.423800 1.0079 0 - 4633 H2O 873 H2O O1 4 -0.847600 15.9994 0 - 4634 H2O 873 H2O H1 3 0.423800 1.0079 0 - 4635 H2O 873 H2O H2 3 0.423800 1.0079 0 - 4636 H2O 874 H2O O1 4 -0.847600 15.9994 0 - 4637 H2O 874 H2O H1 3 0.423800 1.0079 0 - 4638 H2O 874 H2O H2 3 0.423800 1.0079 0 - 4639 H2O 875 H2O O1 4 -0.847600 15.9994 0 - 4640 H2O 875 H2O H1 3 0.423800 1.0079 0 - 4641 H2O 875 H2O H2 3 0.423800 1.0079 0 - 4642 H2O 876 H2O O1 4 -0.847600 15.9994 0 - 4643 H2O 876 H2O H1 3 0.423800 1.0079 0 - 4644 H2O 876 H2O H2 3 0.423800 1.0079 0 - 4645 H2O 877 H2O O1 4 -0.847600 15.9994 0 - 4646 H2O 877 H2O H1 3 0.423800 1.0079 0 - 4647 H2O 877 H2O H2 3 0.423800 1.0079 0 - 4648 H2O 878 H2O O1 4 -0.847600 15.9994 0 - 4649 H2O 878 H2O H1 3 0.423800 1.0079 0 - 4650 H2O 878 H2O H2 3 0.423800 1.0079 0 - 4651 H2O 879 H2O O1 4 -0.847600 15.9994 0 - 4652 H2O 879 H2O H1 3 0.423800 1.0079 0 - 4653 H2O 879 H2O H2 3 0.423800 1.0079 0 - 4654 H2O 880 H2O O1 4 -0.847600 15.9994 0 - 4655 H2O 880 H2O H1 3 0.423800 1.0079 0 - 4656 H2O 880 H2O H2 3 0.423800 1.0079 0 - 4657 H2O 881 H2O O1 4 -0.847600 15.9994 0 - 4658 H2O 881 H2O H1 3 0.423800 1.0079 0 - 4659 H2O 881 H2O H2 3 0.423800 1.0079 0 - 4660 H2O 882 H2O O1 4 -0.847600 15.9994 0 - 4661 H2O 882 H2O H1 3 0.423800 1.0079 0 - 4662 H2O 882 H2O H2 3 0.423800 1.0079 0 - 4663 H2O 883 H2O O1 4 -0.847600 15.9994 0 - 4664 H2O 883 H2O H1 3 0.423800 1.0079 0 - 4665 H2O 883 H2O H2 3 0.423800 1.0079 0 - 4666 H2O 884 H2O O1 4 -0.847600 15.9994 0 - 4667 H2O 884 H2O H1 3 0.423800 1.0079 0 - 4668 H2O 884 H2O H2 3 0.423800 1.0079 0 - 4669 H2O 885 H2O O1 4 -0.847600 15.9994 0 - 4670 H2O 885 H2O H1 3 0.423800 1.0079 0 - 4671 H2O 885 H2O H2 3 0.423800 1.0079 0 - 4672 H2O 886 H2O O1 4 -0.847600 15.9994 0 - 4673 H2O 886 H2O H1 3 0.423800 1.0079 0 - 4674 H2O 886 H2O H2 3 0.423800 1.0079 0 - 4675 H2O 887 H2O O1 4 -0.847600 15.9994 0 - 4676 H2O 887 H2O H1 3 0.423800 1.0079 0 - 4677 H2O 887 H2O H2 3 0.423800 1.0079 0 - 4678 H2O 888 H2O O1 4 -0.847600 15.9994 0 - 4679 H2O 888 H2O H1 3 0.423800 1.0079 0 - 4680 H2O 888 H2O H2 3 0.423800 1.0079 0 - 4681 H2O 889 H2O O1 4 -0.847600 15.9994 0 - 4682 H2O 889 H2O H1 3 0.423800 1.0079 0 - 4683 H2O 889 H2O H2 3 0.423800 1.0079 0 - 4684 H2O 890 H2O O1 4 -0.847600 15.9994 0 - 4685 H2O 890 H2O H1 3 0.423800 1.0079 0 - 4686 H2O 890 H2O H2 3 0.423800 1.0079 0 - 4687 H2O 891 H2O O1 4 -0.847600 15.9994 0 - 4688 H2O 891 H2O H1 3 0.423800 1.0079 0 - 4689 H2O 891 H2O H2 3 0.423800 1.0079 0 - 4690 H2O 892 H2O O1 4 -0.847600 15.9994 0 - 4691 H2O 892 H2O H1 3 0.423800 1.0079 0 - 4692 H2O 892 H2O H2 3 0.423800 1.0079 0 - 4693 H2O 893 H2O O1 4 -0.847600 15.9994 0 - 4694 H2O 893 H2O H1 3 0.423800 1.0079 0 - 4695 H2O 893 H2O H2 3 0.423800 1.0079 0 - 4696 H2O 894 H2O O1 4 -0.847600 15.9994 0 - 4697 H2O 894 H2O H1 3 0.423800 1.0079 0 - 4698 H2O 894 H2O H2 3 0.423800 1.0079 0 - 4699 H2O 895 H2O O1 4 -0.847600 15.9994 0 - 4700 H2O 895 H2O H1 3 0.423800 1.0079 0 - 4701 H2O 895 H2O H2 3 0.423800 1.0079 0 - 4702 H2O 896 H2O O1 4 -0.847600 15.9994 0 - 4703 H2O 896 H2O H1 3 0.423800 1.0079 0 - 4704 H2O 896 H2O H2 3 0.423800 1.0079 0 - 4705 H2O 897 H2O O1 4 -0.847600 15.9994 0 - 4706 H2O 897 H2O H1 3 0.423800 1.0079 0 - 4707 H2O 897 H2O H2 3 0.423800 1.0079 0 - 4708 H2O 898 H2O O1 4 -0.847600 15.9994 0 - 4709 H2O 898 H2O H1 3 0.423800 1.0079 0 - 4710 H2O 898 H2O H2 3 0.423800 1.0079 0 - 4711 H2O 899 H2O O1 4 -0.847600 15.9994 0 - 4712 H2O 899 H2O H1 3 0.423800 1.0079 0 - 4713 H2O 899 H2O H2 3 0.423800 1.0079 0 - 4714 H2O 900 H2O O1 4 -0.847600 15.9994 0 - 4715 H2O 900 H2O H1 3 0.423800 1.0079 0 - 4716 H2O 900 H2O H2 3 0.423800 1.0079 0 - 4717 H2O 901 H2O O1 4 -0.847600 15.9994 0 - 4718 H2O 901 H2O H1 3 0.423800 1.0079 0 - 4719 H2O 901 H2O H2 3 0.423800 1.0079 0 - 4720 H2O 902 H2O O1 4 -0.847600 15.9994 0 - 4721 H2O 902 H2O H1 3 0.423800 1.0079 0 - 4722 H2O 902 H2O H2 3 0.423800 1.0079 0 - 4723 H2O 903 H2O O1 4 -0.847600 15.9994 0 - 4724 H2O 903 H2O H1 3 0.423800 1.0079 0 - 4725 H2O 903 H2O H2 3 0.423800 1.0079 0 - 4726 H2O 904 H2O O1 4 -0.847600 15.9994 0 - 4727 H2O 904 H2O H1 3 0.423800 1.0079 0 - 4728 H2O 904 H2O H2 3 0.423800 1.0079 0 - 4729 H2O 905 H2O O1 4 -0.847600 15.9994 0 - 4730 H2O 905 H2O H1 3 0.423800 1.0079 0 - 4731 H2O 905 H2O H2 3 0.423800 1.0079 0 - 4732 H2O 906 H2O O1 4 -0.847600 15.9994 0 - 4733 H2O 906 H2O H1 3 0.423800 1.0079 0 - 4734 H2O 906 H2O H2 3 0.423800 1.0079 0 - 4735 H2O 907 H2O O1 4 -0.847600 15.9994 0 - 4736 H2O 907 H2O H1 3 0.423800 1.0079 0 - 4737 H2O 907 H2O H2 3 0.423800 1.0079 0 - 4738 H2O 908 H2O O1 4 -0.847600 15.9994 0 - 4739 H2O 908 H2O H1 3 0.423800 1.0079 0 - 4740 H2O 908 H2O H2 3 0.423800 1.0079 0 - 4741 H2O 909 H2O O1 4 -0.847600 15.9994 0 - 4742 H2O 909 H2O H1 3 0.423800 1.0079 0 - 4743 H2O 909 H2O H2 3 0.423800 1.0079 0 - 4744 H2O 910 H2O O1 4 -0.847600 15.9994 0 - 4745 H2O 910 H2O H1 3 0.423800 1.0079 0 - 4746 H2O 910 H2O H2 3 0.423800 1.0079 0 - 4747 H2O 911 H2O O1 4 -0.847600 15.9994 0 - 4748 H2O 911 H2O H1 3 0.423800 1.0079 0 - 4749 H2O 911 H2O H2 3 0.423800 1.0079 0 - 4750 H2O 912 H2O O1 4 -0.847600 15.9994 0 - 4751 H2O 912 H2O H1 3 0.423800 1.0079 0 - 4752 H2O 912 H2O H2 3 0.423800 1.0079 0 - 4753 H2O 913 H2O O1 4 -0.847600 15.9994 0 - 4754 H2O 913 H2O H1 3 0.423800 1.0079 0 - 4755 H2O 913 H2O H2 3 0.423800 1.0079 0 - 4756 H2O 914 H2O O1 4 -0.847600 15.9994 0 - 4757 H2O 914 H2O H1 3 0.423800 1.0079 0 - 4758 H2O 914 H2O H2 3 0.423800 1.0079 0 - 4759 H2O 915 H2O O1 4 -0.847600 15.9994 0 - 4760 H2O 915 H2O H1 3 0.423800 1.0079 0 - 4761 H2O 915 H2O H2 3 0.423800 1.0079 0 - 4762 H2O 916 H2O O1 4 -0.847600 15.9994 0 - 4763 H2O 916 H2O H1 3 0.423800 1.0079 0 - 4764 H2O 916 H2O H2 3 0.423800 1.0079 0 - 4765 H2O 917 H2O O1 4 -0.847600 15.9994 0 - 4766 H2O 917 H2O H1 3 0.423800 1.0079 0 - 4767 H2O 917 H2O H2 3 0.423800 1.0079 0 - 4768 H2O 918 H2O O1 4 -0.847600 15.9994 0 - 4769 H2O 918 H2O H1 3 0.423800 1.0079 0 - 4770 H2O 918 H2O H2 3 0.423800 1.0079 0 - 4771 H2O 919 H2O O1 4 -0.847600 15.9994 0 - 4772 H2O 919 H2O H1 3 0.423800 1.0079 0 - 4773 H2O 919 H2O H2 3 0.423800 1.0079 0 - 4774 H2O 920 H2O O1 4 -0.847600 15.9994 0 - 4775 H2O 920 H2O H1 3 0.423800 1.0079 0 - 4776 H2O 920 H2O H2 3 0.423800 1.0079 0 - 4777 H2O 921 H2O O1 4 -0.847600 15.9994 0 - 4778 H2O 921 H2O H1 3 0.423800 1.0079 0 - 4779 H2O 921 H2O H2 3 0.423800 1.0079 0 - 4780 H2O 922 H2O O1 4 -0.847600 15.9994 0 - 4781 H2O 922 H2O H1 3 0.423800 1.0079 0 - 4782 H2O 922 H2O H2 3 0.423800 1.0079 0 - 4783 H2O 923 H2O O1 4 -0.847600 15.9994 0 - 4784 H2O 923 H2O H1 3 0.423800 1.0079 0 - 4785 H2O 923 H2O H2 3 0.423800 1.0079 0 - 4786 H2O 924 H2O O1 4 -0.847600 15.9994 0 - 4787 H2O 924 H2O H1 3 0.423800 1.0079 0 - 4788 H2O 924 H2O H2 3 0.423800 1.0079 0 - 4789 H2O 925 H2O O1 4 -0.847600 15.9994 0 - 4790 H2O 925 H2O H1 3 0.423800 1.0079 0 - 4791 H2O 925 H2O H2 3 0.423800 1.0079 0 - 4792 H2O 926 H2O O1 4 -0.847600 15.9994 0 - 4793 H2O 926 H2O H1 3 0.423800 1.0079 0 - 4794 H2O 926 H2O H2 3 0.423800 1.0079 0 - 4795 H2O 927 H2O O1 4 -0.847600 15.9994 0 - 4796 H2O 927 H2O H1 3 0.423800 1.0079 0 - 4797 H2O 927 H2O H2 3 0.423800 1.0079 0 - 4798 H2O 928 H2O O1 4 -0.847600 15.9994 0 - 4799 H2O 928 H2O H1 3 0.423800 1.0079 0 - 4800 H2O 928 H2O H2 3 0.423800 1.0079 0 - 4801 H2O 929 H2O O1 4 -0.847600 15.9994 0 - 4802 H2O 929 H2O H1 3 0.423800 1.0079 0 - 4803 H2O 929 H2O H2 3 0.423800 1.0079 0 - 4804 H2O 930 H2O O1 4 -0.847600 15.9994 0 - 4805 H2O 930 H2O H1 3 0.423800 1.0079 0 - 4806 H2O 930 H2O H2 3 0.423800 1.0079 0 - 4807 H2O 931 H2O O1 4 -0.847600 15.9994 0 - 4808 H2O 931 H2O H1 3 0.423800 1.0079 0 - 4809 H2O 931 H2O H2 3 0.423800 1.0079 0 - 4810 H2O 932 H2O O1 4 -0.847600 15.9994 0 - 4811 H2O 932 H2O H1 3 0.423800 1.0079 0 - 4812 H2O 932 H2O H2 3 0.423800 1.0079 0 - 4813 H2O 933 H2O O1 4 -0.847600 15.9994 0 - 4814 H2O 933 H2O H1 3 0.423800 1.0079 0 - 4815 H2O 933 H2O H2 3 0.423800 1.0079 0 - 4816 H2O 934 H2O O1 4 -0.847600 15.9994 0 - 4817 H2O 934 H2O H1 3 0.423800 1.0079 0 - 4818 H2O 934 H2O H2 3 0.423800 1.0079 0 - 4819 H2O 935 H2O O1 4 -0.847600 15.9994 0 - 4820 H2O 935 H2O H1 3 0.423800 1.0079 0 - 4821 H2O 935 H2O H2 3 0.423800 1.0079 0 - 4822 H2O 936 H2O O1 4 -0.847600 15.9994 0 - 4823 H2O 936 H2O H1 3 0.423800 1.0079 0 - 4824 H2O 936 H2O H2 3 0.423800 1.0079 0 - 4825 H2O 937 H2O O1 4 -0.847600 15.9994 0 - 4826 H2O 937 H2O H1 3 0.423800 1.0079 0 - 4827 H2O 937 H2O H2 3 0.423800 1.0079 0 - 4828 H2O 938 H2O O1 4 -0.847600 15.9994 0 - 4829 H2O 938 H2O H1 3 0.423800 1.0079 0 - 4830 H2O 938 H2O H2 3 0.423800 1.0079 0 - 4831 H2O 939 H2O O1 4 -0.847600 15.9994 0 - 4832 H2O 939 H2O H1 3 0.423800 1.0079 0 - 4833 H2O 939 H2O H2 3 0.423800 1.0079 0 - 4834 H2O 940 H2O O1 4 -0.847600 15.9994 0 - 4835 H2O 940 H2O H1 3 0.423800 1.0079 0 - 4836 H2O 940 H2O H2 3 0.423800 1.0079 0 - 4837 H2O 941 H2O O1 4 -0.847600 15.9994 0 - 4838 H2O 941 H2O H1 3 0.423800 1.0079 0 - 4839 H2O 941 H2O H2 3 0.423800 1.0079 0 - 4840 H2O 942 H2O O1 4 -0.847600 15.9994 0 - 4841 H2O 942 H2O H1 3 0.423800 1.0079 0 - 4842 H2O 942 H2O H2 3 0.423800 1.0079 0 - 4843 H2O 943 H2O O1 4 -0.847600 15.9994 0 - 4844 H2O 943 H2O H1 3 0.423800 1.0079 0 - 4845 H2O 943 H2O H2 3 0.423800 1.0079 0 - 4846 H2O 944 H2O O1 4 -0.847600 15.9994 0 - 4847 H2O 944 H2O H1 3 0.423800 1.0079 0 - 4848 H2O 944 H2O H2 3 0.423800 1.0079 0 - 4849 H2O 945 H2O O1 4 -0.847600 15.9994 0 - 4850 H2O 945 H2O H1 3 0.423800 1.0079 0 - 4851 H2O 945 H2O H2 3 0.423800 1.0079 0 - 4852 H2O 946 H2O O1 4 -0.847600 15.9994 0 - 4853 H2O 946 H2O H1 3 0.423800 1.0079 0 - 4854 H2O 946 H2O H2 3 0.423800 1.0079 0 - 4855 H2O 947 H2O O1 4 -0.847600 15.9994 0 - 4856 H2O 947 H2O H1 3 0.423800 1.0079 0 - 4857 H2O 947 H2O H2 3 0.423800 1.0079 0 - 4858 H2O 948 H2O O1 4 -0.847600 15.9994 0 - 4859 H2O 948 H2O H1 3 0.423800 1.0079 0 - 4860 H2O 948 H2O H2 3 0.423800 1.0079 0 - 4861 H2O 949 H2O O1 4 -0.847600 15.9994 0 - 4862 H2O 949 H2O H1 3 0.423800 1.0079 0 - 4863 H2O 949 H2O H2 3 0.423800 1.0079 0 - 4864 H2O 950 H2O O1 4 -0.847600 15.9994 0 - 4865 H2O 950 H2O H1 3 0.423800 1.0079 0 - 4866 H2O 950 H2O H2 3 0.423800 1.0079 0 - 4867 H2O 951 H2O O1 4 -0.847600 15.9994 0 - 4868 H2O 951 H2O H1 3 0.423800 1.0079 0 - 4869 H2O 951 H2O H2 3 0.423800 1.0079 0 - 4870 H2O 952 H2O O1 4 -0.847600 15.9994 0 - 4871 H2O 952 H2O H1 3 0.423800 1.0079 0 - 4872 H2O 952 H2O H2 3 0.423800 1.0079 0 - 4873 H2O 953 H2O O1 4 -0.847600 15.9994 0 - 4874 H2O 953 H2O H1 3 0.423800 1.0079 0 - 4875 H2O 953 H2O H2 3 0.423800 1.0079 0 - 4876 H2O 954 H2O O1 4 -0.847600 15.9994 0 - 4877 H2O 954 H2O H1 3 0.423800 1.0079 0 - 4878 H2O 954 H2O H2 3 0.423800 1.0079 0 - 4879 H2O 955 H2O O1 4 -0.847600 15.9994 0 - 4880 H2O 955 H2O H1 3 0.423800 1.0079 0 - 4881 H2O 955 H2O H2 3 0.423800 1.0079 0 - 4882 H2O 956 H2O O1 4 -0.847600 15.9994 0 - 4883 H2O 956 H2O H1 3 0.423800 1.0079 0 - 4884 H2O 956 H2O H2 3 0.423800 1.0079 0 - 4885 H2O 957 H2O O1 4 -0.847600 15.9994 0 - 4886 H2O 957 H2O H1 3 0.423800 1.0079 0 - 4887 H2O 957 H2O H2 3 0.423800 1.0079 0 - 4888 H2O 958 H2O O1 4 -0.847600 15.9994 0 - 4889 H2O 958 H2O H1 3 0.423800 1.0079 0 - 4890 H2O 958 H2O H2 3 0.423800 1.0079 0 - 4891 H2O 959 H2O O1 4 -0.847600 15.9994 0 - 4892 H2O 959 H2O H1 3 0.423800 1.0079 0 - 4893 H2O 959 H2O H2 3 0.423800 1.0079 0 - 4894 H2O 960 H2O O1 4 -0.847600 15.9994 0 - 4895 H2O 960 H2O H1 3 0.423800 1.0079 0 - 4896 H2O 960 H2O H2 3 0.423800 1.0079 0 - 4897 H2O 961 H2O O1 4 -0.847600 15.9994 0 - 4898 H2O 961 H2O H1 3 0.423800 1.0079 0 - 4899 H2O 961 H2O H2 3 0.423800 1.0079 0 - 4900 H2O 962 H2O O1 4 -0.847600 15.9994 0 - 4901 H2O 962 H2O H1 3 0.423800 1.0079 0 - 4902 H2O 962 H2O H2 3 0.423800 1.0079 0 - 4903 H2O 963 H2O O1 4 -0.847600 15.9994 0 - 4904 H2O 963 H2O H1 3 0.423800 1.0079 0 - 4905 H2O 963 H2O H2 3 0.423800 1.0079 0 - 4906 H2O 964 H2O O1 4 -0.847600 15.9994 0 - 4907 H2O 964 H2O H1 3 0.423800 1.0079 0 - 4908 H2O 964 H2O H2 3 0.423800 1.0079 0 - 4909 H2O 965 H2O O1 4 -0.847600 15.9994 0 - 4910 H2O 965 H2O H1 3 0.423800 1.0079 0 - 4911 H2O 965 H2O H2 3 0.423800 1.0079 0 - 4912 H2O 966 H2O O1 4 -0.847600 15.9994 0 - 4913 H2O 966 H2O H1 3 0.423800 1.0079 0 - 4914 H2O 966 H2O H2 3 0.423800 1.0079 0 - 4915 H2O 967 H2O O1 4 -0.847600 15.9994 0 - 4916 H2O 967 H2O H1 3 0.423800 1.0079 0 - 4917 H2O 967 H2O H2 3 0.423800 1.0079 0 - 4918 H2O 968 H2O O1 4 -0.847600 15.9994 0 - 4919 H2O 968 H2O H1 3 0.423800 1.0079 0 - 4920 H2O 968 H2O H2 3 0.423800 1.0079 0 - 4921 H2O 969 H2O O1 4 -0.847600 15.9994 0 - 4922 H2O 969 H2O H1 3 0.423800 1.0079 0 - 4923 H2O 969 H2O H2 3 0.423800 1.0079 0 - 4924 H2O 970 H2O O1 4 -0.847600 15.9994 0 - 4925 H2O 970 H2O H1 3 0.423800 1.0079 0 - 4926 H2O 970 H2O H2 3 0.423800 1.0079 0 - 4927 H2O 971 H2O O1 4 -0.847600 15.9994 0 - 4928 H2O 971 H2O H1 3 0.423800 1.0079 0 - 4929 H2O 971 H2O H2 3 0.423800 1.0079 0 - 4930 H2O 972 H2O O1 4 -0.847600 15.9994 0 - 4931 H2O 972 H2O H1 3 0.423800 1.0079 0 - 4932 H2O 972 H2O H2 3 0.423800 1.0079 0 - 4933 H2O 973 H2O O1 4 -0.847600 15.9994 0 - 4934 H2O 973 H2O H1 3 0.423800 1.0079 0 - 4935 H2O 973 H2O H2 3 0.423800 1.0079 0 - 4936 H2O 974 H2O O1 4 -0.847600 15.9994 0 - 4937 H2O 974 H2O H1 3 0.423800 1.0079 0 - 4938 H2O 974 H2O H2 3 0.423800 1.0079 0 - 4939 H2O 975 H2O O1 4 -0.847600 15.9994 0 - 4940 H2O 975 H2O H1 3 0.423800 1.0079 0 - 4941 H2O 975 H2O H2 3 0.423800 1.0079 0 - 4942 H2O 976 H2O O1 4 -0.847600 15.9994 0 - 4943 H2O 976 H2O H1 3 0.423800 1.0079 0 - 4944 H2O 976 H2O H2 3 0.423800 1.0079 0 - 4945 H2O 977 H2O O1 4 -0.847600 15.9994 0 - 4946 H2O 977 H2O H1 3 0.423800 1.0079 0 - 4947 H2O 977 H2O H2 3 0.423800 1.0079 0 - 4948 H2O 978 H2O O1 4 -0.847600 15.9994 0 - 4949 H2O 978 H2O H1 3 0.423800 1.0079 0 - 4950 H2O 978 H2O H2 3 0.423800 1.0079 0 - 4951 H2O 979 H2O O1 4 -0.847600 15.9994 0 - 4952 H2O 979 H2O H1 3 0.423800 1.0079 0 - 4953 H2O 979 H2O H2 3 0.423800 1.0079 0 - 4954 H2O 980 H2O O1 4 -0.847600 15.9994 0 - 4955 H2O 980 H2O H1 3 0.423800 1.0079 0 - 4956 H2O 980 H2O H2 3 0.423800 1.0079 0 - 4957 H2O 981 H2O O1 4 -0.847600 15.9994 0 - 4958 H2O 981 H2O H1 3 0.423800 1.0079 0 - 4959 H2O 981 H2O H2 3 0.423800 1.0079 0 - 4960 H2O 982 H2O O1 4 -0.847600 15.9994 0 - 4961 H2O 982 H2O H1 3 0.423800 1.0079 0 - 4962 H2O 982 H2O H2 3 0.423800 1.0079 0 - 4963 H2O 983 H2O O1 4 -0.847600 15.9994 0 - 4964 H2O 983 H2O H1 3 0.423800 1.0079 0 - 4965 H2O 983 H2O H2 3 0.423800 1.0079 0 - 4966 H2O 984 H2O O1 4 -0.847600 15.9994 0 - 4967 H2O 984 H2O H1 3 0.423800 1.0079 0 - 4968 H2O 984 H2O H2 3 0.423800 1.0079 0 - 4969 H2O 985 H2O O1 4 -0.847600 15.9994 0 - 4970 H2O 985 H2O H1 3 0.423800 1.0079 0 - 4971 H2O 985 H2O H2 3 0.423800 1.0079 0 - 4972 H2O 986 H2O O1 4 -0.847600 15.9994 0 - 4973 H2O 986 H2O H1 3 0.423800 1.0079 0 - 4974 H2O 986 H2O H2 3 0.423800 1.0079 0 - 4975 H2O 987 H2O O1 4 -0.847600 15.9994 0 - 4976 H2O 987 H2O H1 3 0.423800 1.0079 0 - 4977 H2O 987 H2O H2 3 0.423800 1.0079 0 - 4978 H2O 988 H2O O1 4 -0.847600 15.9994 0 - 4979 H2O 988 H2O H1 3 0.423800 1.0079 0 - 4980 H2O 988 H2O H2 3 0.423800 1.0079 0 - 4981 H2O 989 H2O O1 4 -0.847600 15.9994 0 - 4982 H2O 989 H2O H1 3 0.423800 1.0079 0 - 4983 H2O 989 H2O H2 3 0.423800 1.0079 0 - 4984 H2O 990 H2O O1 4 -0.847600 15.9994 0 - 4985 H2O 990 H2O H1 3 0.423800 1.0079 0 - 4986 H2O 990 H2O H2 3 0.423800 1.0079 0 - 4987 H2O 991 H2O O1 4 -0.847600 15.9994 0 - 4988 H2O 991 H2O H1 3 0.423800 1.0079 0 - 4989 H2O 991 H2O H2 3 0.423800 1.0079 0 - 4990 H2O 992 H2O O1 4 -0.847600 15.9994 0 - 4991 H2O 992 H2O H1 3 0.423800 1.0079 0 - 4992 H2O 992 H2O H2 3 0.423800 1.0079 0 - 4993 H2O 993 H2O O1 4 -0.847600 15.9994 0 - 4994 H2O 993 H2O H1 3 0.423800 1.0079 0 - 4995 H2O 993 H2O H2 3 0.423800 1.0079 0 - 4996 H2O 994 H2O O1 4 -0.847600 15.9994 0 - 4997 H2O 994 H2O H1 3 0.423800 1.0079 0 - 4998 H2O 994 H2O H2 3 0.423800 1.0079 0 - 4999 H2O 995 H2O O1 4 -0.847600 15.9994 0 - 5000 H2O 995 H2O H1 3 0.423800 1.0079 0 - 5001 H2O 995 H2O H2 3 0.423800 1.0079 0 - 5002 H2O 996 H2O O1 4 -0.847600 15.9994 0 - 5003 H2O 996 H2O H1 3 0.423800 1.0079 0 - 5004 H2O 996 H2O H2 3 0.423800 1.0079 0 - 5005 H2O 997 H2O O1 4 -0.847600 15.9994 0 - 5006 H2O 997 H2O H1 3 0.423800 1.0079 0 - 5007 H2O 997 H2O H2 3 0.423800 1.0079 0 - 5008 H2O 998 H2O O1 4 -0.847600 15.9994 0 - 5009 H2O 998 H2O H1 3 0.423800 1.0079 0 - 5010 H2O 998 H2O H2 3 0.423800 1.0079 0 - 5011 H2O 999 H2O O1 4 -0.847600 15.9994 0 - 5012 H2O 999 H2O H1 3 0.423800 1.0079 0 - 5013 H2O 999 H2O H2 3 0.423800 1.0079 0 - 5014 H2O 1000 H2O O1 4 -0.847600 15.9994 0 - 5015 H2O 1000 H2O H1 3 0.423800 1.0079 0 - 5016 H2O 1000 H2O H2 3 0.423800 1.0079 0 - 5017 H2O 1001 H2O O1 4 -0.847600 15.9994 0 - 5018 H2O 1001 H2O H1 3 0.423800 1.0079 0 - 5019 H2O 1001 H2O H2 3 0.423800 1.0079 0 - 5020 H2O 1002 H2O O1 4 -0.847600 15.9994 0 - 5021 H2O 1002 H2O H1 3 0.423800 1.0079 0 - 5022 H2O 1002 H2O H2 3 0.423800 1.0079 0 - 5023 H2O 1003 H2O O1 4 -0.847600 15.9994 0 - 5024 H2O 1003 H2O H1 3 0.423800 1.0079 0 - 5025 H2O 1003 H2O H2 3 0.423800 1.0079 0 - 5026 H2O 1004 H2O O1 4 -0.847600 15.9994 0 - 5027 H2O 1004 H2O H1 3 0.423800 1.0079 0 - 5028 H2O 1004 H2O H2 3 0.423800 1.0079 0 - 5029 H2O 1005 H2O O1 4 -0.847600 15.9994 0 - 5030 H2O 1005 H2O H1 3 0.423800 1.0079 0 - 5031 H2O 1005 H2O H2 3 0.423800 1.0079 0 - 5032 H2O 1006 H2O O1 4 -0.847600 15.9994 0 - 5033 H2O 1006 H2O H1 3 0.423800 1.0079 0 - 5034 H2O 1006 H2O H2 3 0.423800 1.0079 0 - 5035 H2O 1007 H2O O1 4 -0.847600 15.9994 0 - 5036 H2O 1007 H2O H1 3 0.423800 1.0079 0 - 5037 H2O 1007 H2O H2 3 0.423800 1.0079 0 - 5038 H2O 1008 H2O O1 4 -0.847600 15.9994 0 - 5039 H2O 1008 H2O H1 3 0.423800 1.0079 0 - 5040 H2O 1008 H2O H2 3 0.423800 1.0079 0 - 5041 H2O 1009 H2O O1 4 -0.847600 15.9994 0 - 5042 H2O 1009 H2O H1 3 0.423800 1.0079 0 - 5043 H2O 1009 H2O H2 3 0.423800 1.0079 0 - 5044 H2O 1010 H2O O1 4 -0.847600 15.9994 0 - 5045 H2O 1010 H2O H1 3 0.423800 1.0079 0 - 5046 H2O 1010 H2O H2 3 0.423800 1.0079 0 - 5047 H2O 1011 H2O O1 4 -0.847600 15.9994 0 - 5048 H2O 1011 H2O H1 3 0.423800 1.0079 0 - 5049 H2O 1011 H2O H2 3 0.423800 1.0079 0 - 5050 H2O 1012 H2O O1 4 -0.847600 15.9994 0 - 5051 H2O 1012 H2O H1 3 0.423800 1.0079 0 - 5052 H2O 1012 H2O H2 3 0.423800 1.0079 0 - 5053 H2O 1013 H2O O1 4 -0.847600 15.9994 0 - 5054 H2O 1013 H2O H1 3 0.423800 1.0079 0 - 5055 H2O 1013 H2O H2 3 0.423800 1.0079 0 - 5056 H2O 1014 H2O O1 4 -0.847600 15.9994 0 - 5057 H2O 1014 H2O H1 3 0.423800 1.0079 0 - 5058 H2O 1014 H2O H2 3 0.423800 1.0079 0 - 5059 H2O 1015 H2O O1 4 -0.847600 15.9994 0 - 5060 H2O 1015 H2O H1 3 0.423800 1.0079 0 - 5061 H2O 1015 H2O H2 3 0.423800 1.0079 0 - 5062 H2O 1016 H2O O1 4 -0.847600 15.9994 0 - 5063 H2O 1016 H2O H1 3 0.423800 1.0079 0 - 5064 H2O 1016 H2O H2 3 0.423800 1.0079 0 - 5065 H2O 1017 H2O O1 4 -0.847600 15.9994 0 - 5066 H2O 1017 H2O H1 3 0.423800 1.0079 0 - 5067 H2O 1017 H2O H2 3 0.423800 1.0079 0 - 5068 H2O 1018 H2O O1 4 -0.847600 15.9994 0 - 5069 H2O 1018 H2O H1 3 0.423800 1.0079 0 - 5070 H2O 1018 H2O H2 3 0.423800 1.0079 0 - 5071 H2O 1019 H2O O1 4 -0.847600 15.9994 0 - 5072 H2O 1019 H2O H1 3 0.423800 1.0079 0 - 5073 H2O 1019 H2O H2 3 0.423800 1.0079 0 - 5074 H2O 1020 H2O O1 4 -0.847600 15.9994 0 - 5075 H2O 1020 H2O H1 3 0.423800 1.0079 0 - 5076 H2O 1020 H2O H2 3 0.423800 1.0079 0 - 5077 H2O 1021 H2O O1 4 -0.847600 15.9994 0 - 5078 H2O 1021 H2O H1 3 0.423800 1.0079 0 - 5079 H2O 1021 H2O H2 3 0.423800 1.0079 0 - 5080 H2O 1022 H2O O1 4 -0.847600 15.9994 0 - 5081 H2O 1022 H2O H1 3 0.423800 1.0079 0 - 5082 H2O 1022 H2O H2 3 0.423800 1.0079 0 - 5083 H2O 1023 H2O O1 4 -0.847600 15.9994 0 - 5084 H2O 1023 H2O H1 3 0.423800 1.0079 0 - 5085 H2O 1023 H2O H2 3 0.423800 1.0079 0 - 5086 H2O 1024 H2O O1 4 -0.847600 15.9994 0 - 5087 H2O 1024 H2O H1 3 0.423800 1.0079 0 - 5088 H2O 1024 H2O H2 3 0.423800 1.0079 0 - 5089 H2O 1025 H2O O1 4 -0.847600 15.9994 0 - 5090 H2O 1025 H2O H1 3 0.423800 1.0079 0 - 5091 H2O 1025 H2O H2 3 0.423800 1.0079 0 - 5092 H2O 1026 H2O O1 4 -0.847600 15.9994 0 - 5093 H2O 1026 H2O H1 3 0.423800 1.0079 0 - 5094 H2O 1026 H2O H2 3 0.423800 1.0079 0 - 5095 H2O 1027 H2O O1 4 -0.847600 15.9994 0 - 5096 H2O 1027 H2O H1 3 0.423800 1.0079 0 - 5097 H2O 1027 H2O H2 3 0.423800 1.0079 0 - 5098 H2O 1028 H2O O1 4 -0.847600 15.9994 0 - 5099 H2O 1028 H2O H1 3 0.423800 1.0079 0 - 5100 H2O 1028 H2O H2 3 0.423800 1.0079 0 - 5101 H2O 1029 H2O O1 4 -0.847600 15.9994 0 - 5102 H2O 1029 H2O H1 3 0.423800 1.0079 0 - 5103 H2O 1029 H2O H2 3 0.423800 1.0079 0 - 5104 H2O 1030 H2O O1 4 -0.847600 15.9994 0 - 5105 H2O 1030 H2O H1 3 0.423800 1.0079 0 - 5106 H2O 1030 H2O H2 3 0.423800 1.0079 0 - 5107 H2O 1031 H2O O1 4 -0.847600 15.9994 0 - 5108 H2O 1031 H2O H1 3 0.423800 1.0079 0 - 5109 H2O 1031 H2O H2 3 0.423800 1.0079 0 - 5110 H2O 1032 H2O O1 4 -0.847600 15.9994 0 - 5111 H2O 1032 H2O H1 3 0.423800 1.0079 0 - 5112 H2O 1032 H2O H2 3 0.423800 1.0079 0 - 5113 H2O 1033 H2O O1 4 -0.847600 15.9994 0 - 5114 H2O 1033 H2O H1 3 0.423800 1.0079 0 - 5115 H2O 1033 H2O H2 3 0.423800 1.0079 0 - 5116 H2O 1034 H2O O1 4 -0.847600 15.9994 0 - 5117 H2O 1034 H2O H1 3 0.423800 1.0079 0 - 5118 H2O 1034 H2O H2 3 0.423800 1.0079 0 - 5119 H2O 1035 H2O O1 4 -0.847600 15.9994 0 - 5120 H2O 1035 H2O H1 3 0.423800 1.0079 0 - 5121 H2O 1035 H2O H2 3 0.423800 1.0079 0 - 5122 H2O 1036 H2O O1 4 -0.847600 15.9994 0 - 5123 H2O 1036 H2O H1 3 0.423800 1.0079 0 - 5124 H2O 1036 H2O H2 3 0.423800 1.0079 0 - 5125 H2O 1037 H2O O1 4 -0.847600 15.9994 0 - 5126 H2O 1037 H2O H1 3 0.423800 1.0079 0 - 5127 H2O 1037 H2O H2 3 0.423800 1.0079 0 - 5128 H2O 1038 H2O O1 4 -0.847600 15.9994 0 - 5129 H2O 1038 H2O H1 3 0.423800 1.0079 0 - 5130 H2O 1038 H2O H2 3 0.423800 1.0079 0 - 5131 H2O 1039 H2O O1 4 -0.847600 15.9994 0 - 5132 H2O 1039 H2O H1 3 0.423800 1.0079 0 - 5133 H2O 1039 H2O H2 3 0.423800 1.0079 0 - 5134 H2O 1040 H2O O1 4 -0.847600 15.9994 0 - 5135 H2O 1040 H2O H1 3 0.423800 1.0079 0 - 5136 H2O 1040 H2O H2 3 0.423800 1.0079 0 - 5137 H2O 1041 H2O O1 4 -0.847600 15.9994 0 - 5138 H2O 1041 H2O H1 3 0.423800 1.0079 0 - 5139 H2O 1041 H2O H2 3 0.423800 1.0079 0 - 5140 H2O 1042 H2O O1 4 -0.847600 15.9994 0 - 5141 H2O 1042 H2O H1 3 0.423800 1.0079 0 - 5142 H2O 1042 H2O H2 3 0.423800 1.0079 0 - 5143 H2O 1043 H2O O1 4 -0.847600 15.9994 0 - 5144 H2O 1043 H2O H1 3 0.423800 1.0079 0 - 5145 H2O 1043 H2O H2 3 0.423800 1.0079 0 - 5146 H2O 1044 H2O O1 4 -0.847600 15.9994 0 - 5147 H2O 1044 H2O H1 3 0.423800 1.0079 0 - 5148 H2O 1044 H2O H2 3 0.423800 1.0079 0 - 5149 H2O 1045 H2O O1 4 -0.847600 15.9994 0 - 5150 H2O 1045 H2O H1 3 0.423800 1.0079 0 - 5151 H2O 1045 H2O H2 3 0.423800 1.0079 0 - 5152 H2O 1046 H2O O1 4 -0.847600 15.9994 0 - 5153 H2O 1046 H2O H1 3 0.423800 1.0079 0 - 5154 H2O 1046 H2O H2 3 0.423800 1.0079 0 - 5155 H2O 1047 H2O O1 4 -0.847600 15.9994 0 - 5156 H2O 1047 H2O H1 3 0.423800 1.0079 0 - 5157 H2O 1047 H2O H2 3 0.423800 1.0079 0 - 5158 H2O 1048 H2O O1 4 -0.847600 15.9994 0 - 5159 H2O 1048 H2O H1 3 0.423800 1.0079 0 - 5160 H2O 1048 H2O H2 3 0.423800 1.0079 0 - 5161 H2O 1049 H2O O1 4 -0.847600 15.9994 0 - 5162 H2O 1049 H2O H1 3 0.423800 1.0079 0 - 5163 H2O 1049 H2O H2 3 0.423800 1.0079 0 - 5164 H2O 1050 H2O O1 4 -0.847600 15.9994 0 - 5165 H2O 1050 H2O H1 3 0.423800 1.0079 0 - 5166 H2O 1050 H2O H2 3 0.423800 1.0079 0 - 5167 H2O 1051 H2O O1 4 -0.847600 15.9994 0 - 5168 H2O 1051 H2O H1 3 0.423800 1.0079 0 - 5169 H2O 1051 H2O H2 3 0.423800 1.0079 0 - 5170 H2O 1052 H2O O1 4 -0.847600 15.9994 0 - 5171 H2O 1052 H2O H1 3 0.423800 1.0079 0 - 5172 H2O 1052 H2O H2 3 0.423800 1.0079 0 - 5173 H2O 1053 H2O O1 4 -0.847600 15.9994 0 - 5174 H2O 1053 H2O H1 3 0.423800 1.0079 0 - 5175 H2O 1053 H2O H2 3 0.423800 1.0079 0 - 5176 H2O 1054 H2O O1 4 -0.847600 15.9994 0 - 5177 H2O 1054 H2O H1 3 0.423800 1.0079 0 - 5178 H2O 1054 H2O H2 3 0.423800 1.0079 0 - 5179 H2O 1055 H2O O1 4 -0.847600 15.9994 0 - 5180 H2O 1055 H2O H1 3 0.423800 1.0079 0 - 5181 H2O 1055 H2O H2 3 0.423800 1.0079 0 - 5182 H2O 1056 H2O O1 4 -0.847600 15.9994 0 - 5183 H2O 1056 H2O H1 3 0.423800 1.0079 0 - 5184 H2O 1056 H2O H2 3 0.423800 1.0079 0 - 5185 H2O 1057 H2O O1 4 -0.847600 15.9994 0 - 5186 H2O 1057 H2O H1 3 0.423800 1.0079 0 - 5187 H2O 1057 H2O H2 3 0.423800 1.0079 0 - 5188 H2O 1058 H2O O1 4 -0.847600 15.9994 0 - 5189 H2O 1058 H2O H1 3 0.423800 1.0079 0 - 5190 H2O 1058 H2O H2 3 0.423800 1.0079 0 - 5191 H2O 1059 H2O O1 4 -0.847600 15.9994 0 - 5192 H2O 1059 H2O H1 3 0.423800 1.0079 0 - 5193 H2O 1059 H2O H2 3 0.423800 1.0079 0 - 5194 H2O 1060 H2O O1 4 -0.847600 15.9994 0 - 5195 H2O 1060 H2O H1 3 0.423800 1.0079 0 - 5196 H2O 1060 H2O H2 3 0.423800 1.0079 0 - 5197 H2O 1061 H2O O1 4 -0.847600 15.9994 0 - 5198 H2O 1061 H2O H1 3 0.423800 1.0079 0 - 5199 H2O 1061 H2O H2 3 0.423800 1.0079 0 - 5200 H2O 1062 H2O O1 4 -0.847600 15.9994 0 - 5201 H2O 1062 H2O H1 3 0.423800 1.0079 0 - 5202 H2O 1062 H2O H2 3 0.423800 1.0079 0 - 5203 H2O 1063 H2O O1 4 -0.847600 15.9994 0 - 5204 H2O 1063 H2O H1 3 0.423800 1.0079 0 - 5205 H2O 1063 H2O H2 3 0.423800 1.0079 0 - 5206 H2O 1064 H2O O1 4 -0.847600 15.9994 0 - 5207 H2O 1064 H2O H1 3 0.423800 1.0079 0 - 5208 H2O 1064 H2O H2 3 0.423800 1.0079 0 - 5209 H2O 1065 H2O O1 4 -0.847600 15.9994 0 - 5210 H2O 1065 H2O H1 3 0.423800 1.0079 0 - 5211 H2O 1065 H2O H2 3 0.423800 1.0079 0 - 5212 H2O 1066 H2O O1 4 -0.847600 15.9994 0 - 5213 H2O 1066 H2O H1 3 0.423800 1.0079 0 - 5214 H2O 1066 H2O H2 3 0.423800 1.0079 0 - 5215 H2O 1067 H2O O1 4 -0.847600 15.9994 0 - 5216 H2O 1067 H2O H1 3 0.423800 1.0079 0 - 5217 H2O 1067 H2O H2 3 0.423800 1.0079 0 - 5218 H2O 1068 H2O O1 4 -0.847600 15.9994 0 - 5219 H2O 1068 H2O H1 3 0.423800 1.0079 0 - 5220 H2O 1068 H2O H2 3 0.423800 1.0079 0 - 5221 H2O 1069 H2O O1 4 -0.847600 15.9994 0 - 5222 H2O 1069 H2O H1 3 0.423800 1.0079 0 - 5223 H2O 1069 H2O H2 3 0.423800 1.0079 0 - 5224 H2O 1070 H2O O1 4 -0.847600 15.9994 0 - 5225 H2O 1070 H2O H1 3 0.423800 1.0079 0 - 5226 H2O 1070 H2O H2 3 0.423800 1.0079 0 - 5227 H2O 1071 H2O O1 4 -0.847600 15.9994 0 - 5228 H2O 1071 H2O H1 3 0.423800 1.0079 0 - 5229 H2O 1071 H2O H2 3 0.423800 1.0079 0 - 5230 H2O 1072 H2O O1 4 -0.847600 15.9994 0 - 5231 H2O 1072 H2O H1 3 0.423800 1.0079 0 - 5232 H2O 1072 H2O H2 3 0.423800 1.0079 0 - 5233 H2O 1073 H2O O1 4 -0.847600 15.9994 0 - 5234 H2O 1073 H2O H1 3 0.423800 1.0079 0 - 5235 H2O 1073 H2O H2 3 0.423800 1.0079 0 - 5236 H2O 1074 H2O O1 4 -0.847600 15.9994 0 - 5237 H2O 1074 H2O H1 3 0.423800 1.0079 0 - 5238 H2O 1074 H2O H2 3 0.423800 1.0079 0 - 5239 H2O 1075 H2O O1 4 -0.847600 15.9994 0 - 5240 H2O 1075 H2O H1 3 0.423800 1.0079 0 - 5241 H2O 1075 H2O H2 3 0.423800 1.0079 0 - 5242 H2O 1076 H2O O1 4 -0.847600 15.9994 0 - 5243 H2O 1076 H2O H1 3 0.423800 1.0079 0 - 5244 H2O 1076 H2O H2 3 0.423800 1.0079 0 - 5245 H2O 1077 H2O O1 4 -0.847600 15.9994 0 - 5246 H2O 1077 H2O H1 3 0.423800 1.0079 0 - 5247 H2O 1077 H2O H2 3 0.423800 1.0079 0 - 5248 H2O 1078 H2O O1 4 -0.847600 15.9994 0 - 5249 H2O 1078 H2O H1 3 0.423800 1.0079 0 - 5250 H2O 1078 H2O H2 3 0.423800 1.0079 0 - 5251 H2O 1079 H2O O1 4 -0.847600 15.9994 0 - 5252 H2O 1079 H2O H1 3 0.423800 1.0079 0 - 5253 H2O 1079 H2O H2 3 0.423800 1.0079 0 - 5254 H2O 1080 H2O O1 4 -0.847600 15.9994 0 - 5255 H2O 1080 H2O H1 3 0.423800 1.0079 0 - 5256 H2O 1080 H2O H2 3 0.423800 1.0079 0 - 5257 H2O 1081 H2O O1 4 -0.847600 15.9994 0 - 5258 H2O 1081 H2O H1 3 0.423800 1.0079 0 - 5259 H2O 1081 H2O H2 3 0.423800 1.0079 0 - 5260 H2O 1082 H2O O1 4 -0.847600 15.9994 0 - 5261 H2O 1082 H2O H1 3 0.423800 1.0079 0 - 5262 H2O 1082 H2O H2 3 0.423800 1.0079 0 - 5263 H2O 1083 H2O O1 4 -0.847600 15.9994 0 - 5264 H2O 1083 H2O H1 3 0.423800 1.0079 0 - 5265 H2O 1083 H2O H2 3 0.423800 1.0079 0 - 5266 H2O 1084 H2O O1 4 -0.847600 15.9994 0 - 5267 H2O 1084 H2O H1 3 0.423800 1.0079 0 - 5268 H2O 1084 H2O H2 3 0.423800 1.0079 0 - 5269 H2O 1085 H2O O1 4 -0.847600 15.9994 0 - 5270 H2O 1085 H2O H1 3 0.423800 1.0079 0 - 5271 H2O 1085 H2O H2 3 0.423800 1.0079 0 - 5272 H2O 1086 H2O O1 4 -0.847600 15.9994 0 - 5273 H2O 1086 H2O H1 3 0.423800 1.0079 0 - 5274 H2O 1086 H2O H2 3 0.423800 1.0079 0 - 5275 H2O 1087 H2O O1 4 -0.847600 15.9994 0 - 5276 H2O 1087 H2O H1 3 0.423800 1.0079 0 - 5277 H2O 1087 H2O H2 3 0.423800 1.0079 0 - 5278 H2O 1088 H2O O1 4 -0.847600 15.9994 0 - 5279 H2O 1088 H2O H1 3 0.423800 1.0079 0 - 5280 H2O 1088 H2O H2 3 0.423800 1.0079 0 - 5281 H2O 1089 H2O O1 4 -0.847600 15.9994 0 - 5282 H2O 1089 H2O H1 3 0.423800 1.0079 0 - 5283 H2O 1089 H2O H2 3 0.423800 1.0079 0 - 5284 H2O 1090 H2O O1 4 -0.847600 15.9994 0 - 5285 H2O 1090 H2O H1 3 0.423800 1.0079 0 - 5286 H2O 1090 H2O H2 3 0.423800 1.0079 0 - 5287 H2O 1091 H2O O1 4 -0.847600 15.9994 0 - 5288 H2O 1091 H2O H1 3 0.423800 1.0079 0 - 5289 H2O 1091 H2O H2 3 0.423800 1.0079 0 - 5290 H2O 1092 H2O O1 4 -0.847600 15.9994 0 - 5291 H2O 1092 H2O H1 3 0.423800 1.0079 0 - 5292 H2O 1092 H2O H2 3 0.423800 1.0079 0 - 5293 H2O 1093 H2O O1 4 -0.847600 15.9994 0 - 5294 H2O 1093 H2O H1 3 0.423800 1.0079 0 - 5295 H2O 1093 H2O H2 3 0.423800 1.0079 0 - 5296 H2O 1094 H2O O1 4 -0.847600 15.9994 0 - 5297 H2O 1094 H2O H1 3 0.423800 1.0079 0 - 5298 H2O 1094 H2O H2 3 0.423800 1.0079 0 - 5299 H2O 1095 H2O O1 4 -0.847600 15.9994 0 - 5300 H2O 1095 H2O H1 3 0.423800 1.0079 0 - 5301 H2O 1095 H2O H2 3 0.423800 1.0079 0 - 5302 H2O 1096 H2O O1 4 -0.847600 15.9994 0 - 5303 H2O 1096 H2O H1 3 0.423800 1.0079 0 - 5304 H2O 1096 H2O H2 3 0.423800 1.0079 0 - 5305 H2O 1097 H2O O1 4 -0.847600 15.9994 0 - 5306 H2O 1097 H2O H1 3 0.423800 1.0079 0 - 5307 H2O 1097 H2O H2 3 0.423800 1.0079 0 - 5308 H2O 1098 H2O O1 4 -0.847600 15.9994 0 - 5309 H2O 1098 H2O H1 3 0.423800 1.0079 0 - 5310 H2O 1098 H2O H2 3 0.423800 1.0079 0 - 5311 H2O 1099 H2O O1 4 -0.847600 15.9994 0 - 5312 H2O 1099 H2O H1 3 0.423800 1.0079 0 - 5313 H2O 1099 H2O H2 3 0.423800 1.0079 0 - 5314 H2O 1100 H2O O1 4 -0.847600 15.9994 0 - 5315 H2O 1100 H2O H1 3 0.423800 1.0079 0 - 5316 H2O 1100 H2O H2 3 0.423800 1.0079 0 - 5317 H2O 1101 H2O O1 4 -0.847600 15.9994 0 - 5318 H2O 1101 H2O H1 3 0.423800 1.0079 0 - 5319 H2O 1101 H2O H2 3 0.423800 1.0079 0 - 5320 H2O 1102 H2O O1 4 -0.847600 15.9994 0 - 5321 H2O 1102 H2O H1 3 0.423800 1.0079 0 - 5322 H2O 1102 H2O H2 3 0.423800 1.0079 0 - 5323 H2O 1103 H2O O1 4 -0.847600 15.9994 0 - 5324 H2O 1103 H2O H1 3 0.423800 1.0079 0 - 5325 H2O 1103 H2O H2 3 0.423800 1.0079 0 - 5326 H2O 1104 H2O O1 4 -0.847600 15.9994 0 - 5327 H2O 1104 H2O H1 3 0.423800 1.0079 0 - 5328 H2O 1104 H2O H2 3 0.423800 1.0079 0 - 5329 H2O 1105 H2O O1 4 -0.847600 15.9994 0 - 5330 H2O 1105 H2O H1 3 0.423800 1.0079 0 - 5331 H2O 1105 H2O H2 3 0.423800 1.0079 0 - 5332 H2O 1106 H2O O1 4 -0.847600 15.9994 0 - 5333 H2O 1106 H2O H1 3 0.423800 1.0079 0 - 5334 H2O 1106 H2O H2 3 0.423800 1.0079 0 - 5335 H2O 1107 H2O O1 4 -0.847600 15.9994 0 - 5336 H2O 1107 H2O H1 3 0.423800 1.0079 0 - 5337 H2O 1107 H2O H2 3 0.423800 1.0079 0 - 5338 H2O 1108 H2O O1 4 -0.847600 15.9994 0 - 5339 H2O 1108 H2O H1 3 0.423800 1.0079 0 - 5340 H2O 1108 H2O H2 3 0.423800 1.0079 0 - 5341 H2O 1109 H2O O1 4 -0.847600 15.9994 0 - 5342 H2O 1109 H2O H1 3 0.423800 1.0079 0 - 5343 H2O 1109 H2O H2 3 0.423800 1.0079 0 - 5344 H2O 1110 H2O O1 4 -0.847600 15.9994 0 - 5345 H2O 1110 H2O H1 3 0.423800 1.0079 0 - 5346 H2O 1110 H2O H2 3 0.423800 1.0079 0 - 5347 H2O 1111 H2O O1 4 -0.847600 15.9994 0 - 5348 H2O 1111 H2O H1 3 0.423800 1.0079 0 - 5349 H2O 1111 H2O H2 3 0.423800 1.0079 0 - 5350 H2O 1112 H2O O1 4 -0.847600 15.9994 0 - 5351 H2O 1112 H2O H1 3 0.423800 1.0079 0 - 5352 H2O 1112 H2O H2 3 0.423800 1.0079 0 - 5353 H2O 1113 H2O O1 4 -0.847600 15.9994 0 - 5354 H2O 1113 H2O H1 3 0.423800 1.0079 0 - 5355 H2O 1113 H2O H2 3 0.423800 1.0079 0 - 5356 H2O 1114 H2O O1 4 -0.847600 15.9994 0 - 5357 H2O 1114 H2O H1 3 0.423800 1.0079 0 - 5358 H2O 1114 H2O H2 3 0.423800 1.0079 0 - 5359 H2O 1115 H2O O1 4 -0.847600 15.9994 0 - 5360 H2O 1115 H2O H1 3 0.423800 1.0079 0 - 5361 H2O 1115 H2O H2 3 0.423800 1.0079 0 - 5362 H2O 1116 H2O O1 4 -0.847600 15.9994 0 - 5363 H2O 1116 H2O H1 3 0.423800 1.0079 0 - 5364 H2O 1116 H2O H2 3 0.423800 1.0079 0 - 5365 H2O 1117 H2O O1 4 -0.847600 15.9994 0 - 5366 H2O 1117 H2O H1 3 0.423800 1.0079 0 - 5367 H2O 1117 H2O H2 3 0.423800 1.0079 0 - 5368 H2O 1118 H2O O1 4 -0.847600 15.9994 0 - 5369 H2O 1118 H2O H1 3 0.423800 1.0079 0 - 5370 H2O 1118 H2O H2 3 0.423800 1.0079 0 - 5371 H2O 1119 H2O O1 4 -0.847600 15.9994 0 - 5372 H2O 1119 H2O H1 3 0.423800 1.0079 0 - 5373 H2O 1119 H2O H2 3 0.423800 1.0079 0 - 5374 H2O 1120 H2O O1 4 -0.847600 15.9994 0 - 5375 H2O 1120 H2O H1 3 0.423800 1.0079 0 - 5376 H2O 1120 H2O H2 3 0.423800 1.0079 0 - 5377 H2O 1121 H2O O1 4 -0.847600 15.9994 0 - 5378 H2O 1121 H2O H1 3 0.423800 1.0079 0 - 5379 H2O 1121 H2O H2 3 0.423800 1.0079 0 - 5380 H2O 1122 H2O O1 4 -0.847600 15.9994 0 - 5381 H2O 1122 H2O H1 3 0.423800 1.0079 0 - 5382 H2O 1122 H2O H2 3 0.423800 1.0079 0 - 5383 H2O 1123 H2O O1 4 -0.847600 15.9994 0 - 5384 H2O 1123 H2O H1 3 0.423800 1.0079 0 - 5385 H2O 1123 H2O H2 3 0.423800 1.0079 0 - 5386 H2O 1124 H2O O1 4 -0.847600 15.9994 0 - 5387 H2O 1124 H2O H1 3 0.423800 1.0079 0 - 5388 H2O 1124 H2O H2 3 0.423800 1.0079 0 - 5389 H2O 1125 H2O O1 4 -0.847600 15.9994 0 - 5390 H2O 1125 H2O H1 3 0.423800 1.0079 0 - 5391 H2O 1125 H2O H2 3 0.423800 1.0079 0 - 5392 H2O 1126 H2O O1 4 -0.847600 15.9994 0 - 5393 H2O 1126 H2O H1 3 0.423800 1.0079 0 - 5394 H2O 1126 H2O H2 3 0.423800 1.0079 0 - 5395 H2O 1127 H2O O1 4 -0.847600 15.9994 0 - 5396 H2O 1127 H2O H1 3 0.423800 1.0079 0 - 5397 H2O 1127 H2O H2 3 0.423800 1.0079 0 - 5398 H2O 1128 H2O O1 4 -0.847600 15.9994 0 - 5399 H2O 1128 H2O H1 3 0.423800 1.0079 0 - 5400 H2O 1128 H2O H2 3 0.423800 1.0079 0 - 5401 H2O 1129 H2O O1 4 -0.847600 15.9994 0 - 5402 H2O 1129 H2O H1 3 0.423800 1.0079 0 - 5403 H2O 1129 H2O H2 3 0.423800 1.0079 0 - 5404 H2O 1130 H2O O1 4 -0.847600 15.9994 0 - 5405 H2O 1130 H2O H1 3 0.423800 1.0079 0 - 5406 H2O 1130 H2O H2 3 0.423800 1.0079 0 - 5407 H2O 1131 H2O O1 4 -0.847600 15.9994 0 - 5408 H2O 1131 H2O H1 3 0.423800 1.0079 0 - 5409 H2O 1131 H2O H2 3 0.423800 1.0079 0 - 5410 H2O 1132 H2O O1 4 -0.847600 15.9994 0 - 5411 H2O 1132 H2O H1 3 0.423800 1.0079 0 - 5412 H2O 1132 H2O H2 3 0.423800 1.0079 0 - 5413 H2O 1133 H2O O1 4 -0.847600 15.9994 0 - 5414 H2O 1133 H2O H1 3 0.423800 1.0079 0 - 5415 H2O 1133 H2O H2 3 0.423800 1.0079 0 - 5416 H2O 1134 H2O O1 4 -0.847600 15.9994 0 - 5417 H2O 1134 H2O H1 3 0.423800 1.0079 0 - 5418 H2O 1134 H2O H2 3 0.423800 1.0079 0 - 5419 H2O 1135 H2O O1 4 -0.847600 15.9994 0 - 5420 H2O 1135 H2O H1 3 0.423800 1.0079 0 - 5421 H2O 1135 H2O H2 3 0.423800 1.0079 0 - 5422 H2O 1136 H2O O1 4 -0.847600 15.9994 0 - 5423 H2O 1136 H2O H1 3 0.423800 1.0079 0 - 5424 H2O 1136 H2O H2 3 0.423800 1.0079 0 - 5425 H2O 1137 H2O O1 4 -0.847600 15.9994 0 - 5426 H2O 1137 H2O H1 3 0.423800 1.0079 0 - 5427 H2O 1137 H2O H2 3 0.423800 1.0079 0 - 5428 H2O 1138 H2O O1 4 -0.847600 15.9994 0 - 5429 H2O 1138 H2O H1 3 0.423800 1.0079 0 - 5430 H2O 1138 H2O H2 3 0.423800 1.0079 0 - 5431 H2O 1139 H2O O1 4 -0.847600 15.9994 0 - 5432 H2O 1139 H2O H1 3 0.423800 1.0079 0 - 5433 H2O 1139 H2O H2 3 0.423800 1.0079 0 - 5434 H2O 1140 H2O O1 4 -0.847600 15.9994 0 - 5435 H2O 1140 H2O H1 3 0.423800 1.0079 0 - 5436 H2O 1140 H2O H2 3 0.423800 1.0079 0 - 5437 H2O 1141 H2O O1 4 -0.847600 15.9994 0 - 5438 H2O 1141 H2O H1 3 0.423800 1.0079 0 - 5439 H2O 1141 H2O H2 3 0.423800 1.0079 0 - 5440 H2O 1142 H2O O1 4 -0.847600 15.9994 0 - 5441 H2O 1142 H2O H1 3 0.423800 1.0079 0 - 5442 H2O 1142 H2O H2 3 0.423800 1.0079 0 - 5443 H2O 1143 H2O O1 4 -0.847600 15.9994 0 - 5444 H2O 1143 H2O H1 3 0.423800 1.0079 0 - 5445 H2O 1143 H2O H2 3 0.423800 1.0079 0 - 5446 H2O 1144 H2O O1 4 -0.847600 15.9994 0 - 5447 H2O 1144 H2O H1 3 0.423800 1.0079 0 - 5448 H2O 1144 H2O H2 3 0.423800 1.0079 0 - 5449 H2O 1145 H2O O1 4 -0.847600 15.9994 0 - 5450 H2O 1145 H2O H1 3 0.423800 1.0079 0 - 5451 H2O 1145 H2O H2 3 0.423800 1.0079 0 - 5452 H2O 1146 H2O O1 4 -0.847600 15.9994 0 - 5453 H2O 1146 H2O H1 3 0.423800 1.0079 0 - 5454 H2O 1146 H2O H2 3 0.423800 1.0079 0 - 5455 H2O 1147 H2O O1 4 -0.847600 15.9994 0 - 5456 H2O 1147 H2O H1 3 0.423800 1.0079 0 - 5457 H2O 1147 H2O H2 3 0.423800 1.0079 0 - 5458 H2O 1148 H2O O1 4 -0.847600 15.9994 0 - 5459 H2O 1148 H2O H1 3 0.423800 1.0079 0 - 5460 H2O 1148 H2O H2 3 0.423800 1.0079 0 - 5461 H2O 1149 H2O O1 4 -0.847600 15.9994 0 - 5462 H2O 1149 H2O H1 3 0.423800 1.0079 0 - 5463 H2O 1149 H2O H2 3 0.423800 1.0079 0 - 5464 H2O 1150 H2O O1 4 -0.847600 15.9994 0 - 5465 H2O 1150 H2O H1 3 0.423800 1.0079 0 - 5466 H2O 1150 H2O H2 3 0.423800 1.0079 0 - 5467 H2O 1151 H2O O1 4 -0.847600 15.9994 0 - 5468 H2O 1151 H2O H1 3 0.423800 1.0079 0 - 5469 H2O 1151 H2O H2 3 0.423800 1.0079 0 - 5470 H2O 1152 H2O O1 4 -0.847600 15.9994 0 - 5471 H2O 1152 H2O H1 3 0.423800 1.0079 0 - 5472 H2O 1152 H2O H2 3 0.423800 1.0079 0 - 5473 H2O 1153 H2O O1 4 -0.847600 15.9994 0 - 5474 H2O 1153 H2O H1 3 0.423800 1.0079 0 - 5475 H2O 1153 H2O H2 3 0.423800 1.0079 0 - 5476 H2O 1154 H2O O1 4 -0.847600 15.9994 0 - 5477 H2O 1154 H2O H1 3 0.423800 1.0079 0 - 5478 H2O 1154 H2O H2 3 0.423800 1.0079 0 - 5479 H2O 1155 H2O O1 4 -0.847600 15.9994 0 - 5480 H2O 1155 H2O H1 3 0.423800 1.0079 0 - 5481 H2O 1155 H2O H2 3 0.423800 1.0079 0 - 5482 H2O 1156 H2O O1 4 -0.847600 15.9994 0 - 5483 H2O 1156 H2O H1 3 0.423800 1.0079 0 - 5484 H2O 1156 H2O H2 3 0.423800 1.0079 0 - 5485 H2O 1157 H2O O1 4 -0.847600 15.9994 0 - 5486 H2O 1157 H2O H1 3 0.423800 1.0079 0 - 5487 H2O 1157 H2O H2 3 0.423800 1.0079 0 - 5488 H2O 1158 H2O O1 4 -0.847600 15.9994 0 - 5489 H2O 1158 H2O H1 3 0.423800 1.0079 0 - 5490 H2O 1158 H2O H2 3 0.423800 1.0079 0 - 5491 H2O 1159 H2O O1 4 -0.847600 15.9994 0 - 5492 H2O 1159 H2O H1 3 0.423800 1.0079 0 - 5493 H2O 1159 H2O H2 3 0.423800 1.0079 0 - 5494 H2O 1160 H2O O1 4 -0.847600 15.9994 0 - 5495 H2O 1160 H2O H1 3 0.423800 1.0079 0 - 5496 H2O 1160 H2O H2 3 0.423800 1.0079 0 - 5497 H2O 1161 H2O O1 4 -0.847600 15.9994 0 - 5498 H2O 1161 H2O H1 3 0.423800 1.0079 0 - 5499 H2O 1161 H2O H2 3 0.423800 1.0079 0 - 5500 H2O 1162 H2O O1 4 -0.847600 15.9994 0 - 5501 H2O 1162 H2O H1 3 0.423800 1.0079 0 - 5502 H2O 1162 H2O H2 3 0.423800 1.0079 0 - 5503 H2O 1163 H2O O1 4 -0.847600 15.9994 0 - 5504 H2O 1163 H2O H1 3 0.423800 1.0079 0 - 5505 H2O 1163 H2O H2 3 0.423800 1.0079 0 - 5506 H2O 1164 H2O O1 4 -0.847600 15.9994 0 - 5507 H2O 1164 H2O H1 3 0.423800 1.0079 0 - 5508 H2O 1164 H2O H2 3 0.423800 1.0079 0 - 5509 H2O 1165 H2O O1 4 -0.847600 15.9994 0 - 5510 H2O 1165 H2O H1 3 0.423800 1.0079 0 - 5511 H2O 1165 H2O H2 3 0.423800 1.0079 0 - 5512 H2O 1166 H2O O1 4 -0.847600 15.9994 0 - 5513 H2O 1166 H2O H1 3 0.423800 1.0079 0 - 5514 H2O 1166 H2O H2 3 0.423800 1.0079 0 - 5515 H2O 1167 H2O O1 4 -0.847600 15.9994 0 - 5516 H2O 1167 H2O H1 3 0.423800 1.0079 0 - 5517 H2O 1167 H2O H2 3 0.423800 1.0079 0 - 5518 H2O 1168 H2O O1 4 -0.847600 15.9994 0 - 5519 H2O 1168 H2O H1 3 0.423800 1.0079 0 - 5520 H2O 1168 H2O H2 3 0.423800 1.0079 0 - 5521 H2O 1169 H2O O1 4 -0.847600 15.9994 0 - 5522 H2O 1169 H2O H1 3 0.423800 1.0079 0 - 5523 H2O 1169 H2O H2 3 0.423800 1.0079 0 - 5524 H2O 1170 H2O O1 4 -0.847600 15.9994 0 - 5525 H2O 1170 H2O H1 3 0.423800 1.0079 0 - 5526 H2O 1170 H2O H2 3 0.423800 1.0079 0 - 5527 H2O 1171 H2O O1 4 -0.847600 15.9994 0 - 5528 H2O 1171 H2O H1 3 0.423800 1.0079 0 - 5529 H2O 1171 H2O H2 3 0.423800 1.0079 0 - 5530 H2O 1172 H2O O1 4 -0.847600 15.9994 0 - 5531 H2O 1172 H2O H1 3 0.423800 1.0079 0 - 5532 H2O 1172 H2O H2 3 0.423800 1.0079 0 - 5533 H2O 1173 H2O O1 4 -0.847600 15.9994 0 - 5534 H2O 1173 H2O H1 3 0.423800 1.0079 0 - 5535 H2O 1173 H2O H2 3 0.423800 1.0079 0 - 5536 H2O 1174 H2O O1 4 -0.847600 15.9994 0 - 5537 H2O 1174 H2O H1 3 0.423800 1.0079 0 - 5538 H2O 1174 H2O H2 3 0.423800 1.0079 0 - 5539 H2O 1175 H2O O1 4 -0.847600 15.9994 0 - 5540 H2O 1175 H2O H1 3 0.423800 1.0079 0 - 5541 H2O 1175 H2O H2 3 0.423800 1.0079 0 - 5542 H2O 1176 H2O O1 4 -0.847600 15.9994 0 - 5543 H2O 1176 H2O H1 3 0.423800 1.0079 0 - 5544 H2O 1176 H2O H2 3 0.423800 1.0079 0 - 5545 H2O 1177 H2O O1 4 -0.847600 15.9994 0 - 5546 H2O 1177 H2O H1 3 0.423800 1.0079 0 - 5547 H2O 1177 H2O H2 3 0.423800 1.0079 0 - 5548 H2O 1178 H2O O1 4 -0.847600 15.9994 0 - 5549 H2O 1178 H2O H1 3 0.423800 1.0079 0 - 5550 H2O 1178 H2O H2 3 0.423800 1.0079 0 - 5551 H2O 1179 H2O O1 4 -0.847600 15.9994 0 - 5552 H2O 1179 H2O H1 3 0.423800 1.0079 0 - 5553 H2O 1179 H2O H2 3 0.423800 1.0079 0 - 5554 H2O 1180 H2O O1 4 -0.847600 15.9994 0 - 5555 H2O 1180 H2O H1 3 0.423800 1.0079 0 - 5556 H2O 1180 H2O H2 3 0.423800 1.0079 0 - 5557 H2O 1181 H2O O1 4 -0.847600 15.9994 0 - 5558 H2O 1181 H2O H1 3 0.423800 1.0079 0 - 5559 H2O 1181 H2O H2 3 0.423800 1.0079 0 - 5560 H2O 1182 H2O O1 4 -0.847600 15.9994 0 - 5561 H2O 1182 H2O H1 3 0.423800 1.0079 0 - 5562 H2O 1182 H2O H2 3 0.423800 1.0079 0 - 5563 H2O 1183 H2O O1 4 -0.847600 15.9994 0 - 5564 H2O 1183 H2O H1 3 0.423800 1.0079 0 - 5565 H2O 1183 H2O H2 3 0.423800 1.0079 0 - 5566 H2O 1184 H2O O1 4 -0.847600 15.9994 0 - 5567 H2O 1184 H2O H1 3 0.423800 1.0079 0 - 5568 H2O 1184 H2O H2 3 0.423800 1.0079 0 - 5569 H2O 1185 H2O O1 4 -0.847600 15.9994 0 - 5570 H2O 1185 H2O H1 3 0.423800 1.0079 0 - 5571 H2O 1185 H2O H2 3 0.423800 1.0079 0 - 5572 H2O 1186 H2O O1 4 -0.847600 15.9994 0 - 5573 H2O 1186 H2O H1 3 0.423800 1.0079 0 - 5574 H2O 1186 H2O H2 3 0.423800 1.0079 0 - 5575 H2O 1187 H2O O1 4 -0.847600 15.9994 0 - 5576 H2O 1187 H2O H1 3 0.423800 1.0079 0 - 5577 H2O 1187 H2O H2 3 0.423800 1.0079 0 - 5578 H2O 1188 H2O O1 4 -0.847600 15.9994 0 - 5579 H2O 1188 H2O H1 3 0.423800 1.0079 0 - 5580 H2O 1188 H2O H2 3 0.423800 1.0079 0 - 5581 H2O 1189 H2O O1 4 -0.847600 15.9994 0 - 5582 H2O 1189 H2O H1 3 0.423800 1.0079 0 - 5583 H2O 1189 H2O H2 3 0.423800 1.0079 0 - 5584 H2O 1190 H2O O1 4 -0.847600 15.9994 0 - 5585 H2O 1190 H2O H1 3 0.423800 1.0079 0 - 5586 H2O 1190 H2O H2 3 0.423800 1.0079 0 - 5587 H2O 1191 H2O O1 4 -0.847600 15.9994 0 - 5588 H2O 1191 H2O H1 3 0.423800 1.0079 0 - 5589 H2O 1191 H2O H2 3 0.423800 1.0079 0 - 5590 H2O 1192 H2O O1 4 -0.847600 15.9994 0 - 5591 H2O 1192 H2O H1 3 0.423800 1.0079 0 - 5592 H2O 1192 H2O H2 3 0.423800 1.0079 0 - 5593 H2O 1193 H2O O1 4 -0.847600 15.9994 0 - 5594 H2O 1193 H2O H1 3 0.423800 1.0079 0 - 5595 H2O 1193 H2O H2 3 0.423800 1.0079 0 - 5596 H2O 1194 H2O O1 4 -0.847600 15.9994 0 - 5597 H2O 1194 H2O H1 3 0.423800 1.0079 0 - 5598 H2O 1194 H2O H2 3 0.423800 1.0079 0 - 5599 H2O 1195 H2O O1 4 -0.847600 15.9994 0 - 5600 H2O 1195 H2O H1 3 0.423800 1.0079 0 - 5601 H2O 1195 H2O H2 3 0.423800 1.0079 0 - 5602 H2O 1196 H2O O1 4 -0.847600 15.9994 0 - 5603 H2O 1196 H2O H1 3 0.423800 1.0079 0 - 5604 H2O 1196 H2O H2 3 0.423800 1.0079 0 - 5605 H2O 1197 H2O O1 4 -0.847600 15.9994 0 - 5606 H2O 1197 H2O H1 3 0.423800 1.0079 0 - 5607 H2O 1197 H2O H2 3 0.423800 1.0079 0 - 5608 H2O 1198 H2O O1 4 -0.847600 15.9994 0 - 5609 H2O 1198 H2O H1 3 0.423800 1.0079 0 - 5610 H2O 1198 H2O H2 3 0.423800 1.0079 0 - 5611 H2O 1199 H2O O1 4 -0.847600 15.9994 0 - 5612 H2O 1199 H2O H1 3 0.423800 1.0079 0 - 5613 H2O 1199 H2O H2 3 0.423800 1.0079 0 - 5614 H2O 1200 H2O O1 4 -0.847600 15.9994 0 - 5615 H2O 1200 H2O H1 3 0.423800 1.0079 0 - 5616 H2O 1200 H2O H2 3 0.423800 1.0079 0 - 5617 H2O 1201 H2O O1 4 -0.847600 15.9994 0 - 5618 H2O 1201 H2O H1 3 0.423800 1.0079 0 - 5619 H2O 1201 H2O H2 3 0.423800 1.0079 0 - 5620 H2O 1202 H2O O1 4 -0.847600 15.9994 0 - 5621 H2O 1202 H2O H1 3 0.423800 1.0079 0 - 5622 H2O 1202 H2O H2 3 0.423800 1.0079 0 - 5623 H2O 1203 H2O O1 4 -0.847600 15.9994 0 - 5624 H2O 1203 H2O H1 3 0.423800 1.0079 0 - 5625 H2O 1203 H2O H2 3 0.423800 1.0079 0 - 5626 H2O 1204 H2O O1 4 -0.847600 15.9994 0 - 5627 H2O 1204 H2O H1 3 0.423800 1.0079 0 - 5628 H2O 1204 H2O H2 3 0.423800 1.0079 0 - 5629 H2O 1205 H2O O1 4 -0.847600 15.9994 0 - 5630 H2O 1205 H2O H1 3 0.423800 1.0079 0 - 5631 H2O 1205 H2O H2 3 0.423800 1.0079 0 - 5632 H2O 1206 H2O O1 4 -0.847600 15.9994 0 - 5633 H2O 1206 H2O H1 3 0.423800 1.0079 0 - 5634 H2O 1206 H2O H2 3 0.423800 1.0079 0 - 5635 H2O 1207 H2O O1 4 -0.847600 15.9994 0 - 5636 H2O 1207 H2O H1 3 0.423800 1.0079 0 - 5637 H2O 1207 H2O H2 3 0.423800 1.0079 0 - 5638 H2O 1208 H2O O1 4 -0.847600 15.9994 0 - 5639 H2O 1208 H2O H1 3 0.423800 1.0079 0 - 5640 H2O 1208 H2O H2 3 0.423800 1.0079 0 - 5641 H2O 1209 H2O O1 4 -0.847600 15.9994 0 - 5642 H2O 1209 H2O H1 3 0.423800 1.0079 0 - 5643 H2O 1209 H2O H2 3 0.423800 1.0079 0 - 5644 H2O 1210 H2O O1 4 -0.847600 15.9994 0 - 5645 H2O 1210 H2O H1 3 0.423800 1.0079 0 - 5646 H2O 1210 H2O H2 3 0.423800 1.0079 0 - 5647 H2O 1211 H2O O1 4 -0.847600 15.9994 0 - 5648 H2O 1211 H2O H1 3 0.423800 1.0079 0 - 5649 H2O 1211 H2O H2 3 0.423800 1.0079 0 - 5650 H2O 1212 H2O O1 4 -0.847600 15.9994 0 - 5651 H2O 1212 H2O H1 3 0.423800 1.0079 0 - 5652 H2O 1212 H2O H2 3 0.423800 1.0079 0 - 5653 H2O 1213 H2O O1 4 -0.847600 15.9994 0 - 5654 H2O 1213 H2O H1 3 0.423800 1.0079 0 - 5655 H2O 1213 H2O H2 3 0.423800 1.0079 0 - 5656 H2O 1214 H2O O1 4 -0.847600 15.9994 0 - 5657 H2O 1214 H2O H1 3 0.423800 1.0079 0 - 5658 H2O 1214 H2O H2 3 0.423800 1.0079 0 - 5659 H2O 1215 H2O O1 4 -0.847600 15.9994 0 - 5660 H2O 1215 H2O H1 3 0.423800 1.0079 0 - 5661 H2O 1215 H2O H2 3 0.423800 1.0079 0 - 5662 H2O 1216 H2O O1 4 -0.847600 15.9994 0 - 5663 H2O 1216 H2O H1 3 0.423800 1.0079 0 - 5664 H2O 1216 H2O H2 3 0.423800 1.0079 0 - 5665 H2O 1217 H2O O1 4 -0.847600 15.9994 0 - 5666 H2O 1217 H2O H1 3 0.423800 1.0079 0 - 5667 H2O 1217 H2O H2 3 0.423800 1.0079 0 - 5668 H2O 1218 H2O O1 4 -0.847600 15.9994 0 - 5669 H2O 1218 H2O H1 3 0.423800 1.0079 0 - 5670 H2O 1218 H2O H2 3 0.423800 1.0079 0 - 5671 H2O 1219 H2O O1 4 -0.847600 15.9994 0 - 5672 H2O 1219 H2O H1 3 0.423800 1.0079 0 - 5673 H2O 1219 H2O H2 3 0.423800 1.0079 0 - 5674 H2O 1220 H2O O1 4 -0.847600 15.9994 0 - 5675 H2O 1220 H2O H1 3 0.423800 1.0079 0 - 5676 H2O 1220 H2O H2 3 0.423800 1.0079 0 - 5677 H2O 1221 H2O O1 4 -0.847600 15.9994 0 - 5678 H2O 1221 H2O H1 3 0.423800 1.0079 0 - 5679 H2O 1221 H2O H2 3 0.423800 1.0079 0 - 5680 H2O 1222 H2O O1 4 -0.847600 15.9994 0 - 5681 H2O 1222 H2O H1 3 0.423800 1.0079 0 - 5682 H2O 1222 H2O H2 3 0.423800 1.0079 0 - 5683 H2O 1223 H2O O1 4 -0.847600 15.9994 0 - 5684 H2O 1223 H2O H1 3 0.423800 1.0079 0 - 5685 H2O 1223 H2O H2 3 0.423800 1.0079 0 - 5686 H2O 1224 H2O O1 4 -0.847600 15.9994 0 - 5687 H2O 1224 H2O H1 3 0.423800 1.0079 0 - 5688 H2O 1224 H2O H2 3 0.423800 1.0079 0 - 5689 H2O 1225 H2O O1 4 -0.847600 15.9994 0 - 5690 H2O 1225 H2O H1 3 0.423800 1.0079 0 - 5691 H2O 1225 H2O H2 3 0.423800 1.0079 0 - 5692 H2O 1226 H2O O1 4 -0.847600 15.9994 0 - 5693 H2O 1226 H2O H1 3 0.423800 1.0079 0 - 5694 H2O 1226 H2O H2 3 0.423800 1.0079 0 - 5695 H2O 1227 H2O O1 4 -0.847600 15.9994 0 - 5696 H2O 1227 H2O H1 3 0.423800 1.0079 0 - 5697 H2O 1227 H2O H2 3 0.423800 1.0079 0 - 5698 H2O 1228 H2O O1 4 -0.847600 15.9994 0 - 5699 H2O 1228 H2O H1 3 0.423800 1.0079 0 - 5700 H2O 1228 H2O H2 3 0.423800 1.0079 0 - 5701 H2O 1229 H2O O1 4 -0.847600 15.9994 0 - 5702 H2O 1229 H2O H1 3 0.423800 1.0079 0 - 5703 H2O 1229 H2O H2 3 0.423800 1.0079 0 - 5704 H2O 1230 H2O O1 4 -0.847600 15.9994 0 - 5705 H2O 1230 H2O H1 3 0.423800 1.0079 0 - 5706 H2O 1230 H2O H2 3 0.423800 1.0079 0 - 5707 H2O 1231 H2O O1 4 -0.847600 15.9994 0 - 5708 H2O 1231 H2O H1 3 0.423800 1.0079 0 - 5709 H2O 1231 H2O H2 3 0.423800 1.0079 0 - 5710 H2O 1232 H2O O1 4 -0.847600 15.9994 0 - 5711 H2O 1232 H2O H1 3 0.423800 1.0079 0 - 5712 H2O 1232 H2O H2 3 0.423800 1.0079 0 - 5713 H2O 1233 H2O O1 4 -0.847600 15.9994 0 - 5714 H2O 1233 H2O H1 3 0.423800 1.0079 0 - 5715 H2O 1233 H2O H2 3 0.423800 1.0079 0 - 5716 H2O 1234 H2O O1 4 -0.847600 15.9994 0 - 5717 H2O 1234 H2O H1 3 0.423800 1.0079 0 - 5718 H2O 1234 H2O H2 3 0.423800 1.0079 0 - 5719 H2O 1235 H2O O1 4 -0.847600 15.9994 0 - 5720 H2O 1235 H2O H1 3 0.423800 1.0079 0 - 5721 H2O 1235 H2O H2 3 0.423800 1.0079 0 - 5722 H2O 1236 H2O O1 4 -0.847600 15.9994 0 - 5723 H2O 1236 H2O H1 3 0.423800 1.0079 0 - 5724 H2O 1236 H2O H2 3 0.423800 1.0079 0 - 5725 H2O 1237 H2O O1 4 -0.847600 15.9994 0 - 5726 H2O 1237 H2O H1 3 0.423800 1.0079 0 - 5727 H2O 1237 H2O H2 3 0.423800 1.0079 0 - 5728 H2O 1238 H2O O1 4 -0.847600 15.9994 0 - 5729 H2O 1238 H2O H1 3 0.423800 1.0079 0 - 5730 H2O 1238 H2O H2 3 0.423800 1.0079 0 - 5731 H2O 1239 H2O O1 4 -0.847600 15.9994 0 - 5732 H2O 1239 H2O H1 3 0.423800 1.0079 0 - 5733 H2O 1239 H2O H2 3 0.423800 1.0079 0 - 5734 H2O 1240 H2O O1 4 -0.847600 15.9994 0 - 5735 H2O 1240 H2O H1 3 0.423800 1.0079 0 - 5736 H2O 1240 H2O H2 3 0.423800 1.0079 0 - 5737 H2O 1241 H2O O1 4 -0.847600 15.9994 0 - 5738 H2O 1241 H2O H1 3 0.423800 1.0079 0 - 5739 H2O 1241 H2O H2 3 0.423800 1.0079 0 - 5740 H2O 1242 H2O O1 4 -0.847600 15.9994 0 - 5741 H2O 1242 H2O H1 3 0.423800 1.0079 0 - 5742 H2O 1242 H2O H2 3 0.423800 1.0079 0 - 5743 H2O 1243 H2O O1 4 -0.847600 15.9994 0 - 5744 H2O 1243 H2O H1 3 0.423800 1.0079 0 - 5745 H2O 1243 H2O H2 3 0.423800 1.0079 0 - 5746 H2O 1244 H2O O1 4 -0.847600 15.9994 0 - 5747 H2O 1244 H2O H1 3 0.423800 1.0079 0 - 5748 H2O 1244 H2O H2 3 0.423800 1.0079 0 - 5749 H2O 1245 H2O O1 4 -0.847600 15.9994 0 - 5750 H2O 1245 H2O H1 3 0.423800 1.0079 0 - 5751 H2O 1245 H2O H2 3 0.423800 1.0079 0 - 5752 H2O 1246 H2O O1 4 -0.847600 15.9994 0 - 5753 H2O 1246 H2O H1 3 0.423800 1.0079 0 - 5754 H2O 1246 H2O H2 3 0.423800 1.0079 0 - 5755 H2O 1247 H2O O1 4 -0.847600 15.9994 0 - 5756 H2O 1247 H2O H1 3 0.423800 1.0079 0 - 5757 H2O 1247 H2O H2 3 0.423800 1.0079 0 - 5758 H2O 1248 H2O O1 4 -0.847600 15.9994 0 - 5759 H2O 1248 H2O H1 3 0.423800 1.0079 0 - 5760 H2O 1248 H2O H2 3 0.423800 1.0079 0 - 5761 H2O 1249 H2O O1 4 -0.847600 15.9994 0 - 5762 H2O 1249 H2O H1 3 0.423800 1.0079 0 - 5763 H2O 1249 H2O H2 3 0.423800 1.0079 0 - 5764 H2O 1250 H2O O1 4 -0.847600 15.9994 0 - 5765 H2O 1250 H2O H1 3 0.423800 1.0079 0 - 5766 H2O 1250 H2O H2 3 0.423800 1.0079 0 - 5767 H2O 1251 H2O O1 4 -0.847600 15.9994 0 - 5768 H2O 1251 H2O H1 3 0.423800 1.0079 0 - 5769 H2O 1251 H2O H2 3 0.423800 1.0079 0 - 5770 H2O 1252 H2O O1 4 -0.847600 15.9994 0 - 5771 H2O 1252 H2O H1 3 0.423800 1.0079 0 - 5772 H2O 1252 H2O H2 3 0.423800 1.0079 0 - 5773 H2O 1253 H2O O1 4 -0.847600 15.9994 0 - 5774 H2O 1253 H2O H1 3 0.423800 1.0079 0 - 5775 H2O 1253 H2O H2 3 0.423800 1.0079 0 - 5776 H2O 1254 H2O O1 4 -0.847600 15.9994 0 - 5777 H2O 1254 H2O H1 3 0.423800 1.0079 0 - 5778 H2O 1254 H2O H2 3 0.423800 1.0079 0 - 5779 H2O 1255 H2O O1 4 -0.847600 15.9994 0 - 5780 H2O 1255 H2O H1 3 0.423800 1.0079 0 - 5781 H2O 1255 H2O H2 3 0.423800 1.0079 0 - 5782 H2O 1256 H2O O1 4 -0.847600 15.9994 0 - 5783 H2O 1256 H2O H1 3 0.423800 1.0079 0 - 5784 H2O 1256 H2O H2 3 0.423800 1.0079 0 - 5785 H2O 1257 H2O O1 4 -0.847600 15.9994 0 - 5786 H2O 1257 H2O H1 3 0.423800 1.0079 0 - 5787 H2O 1257 H2O H2 3 0.423800 1.0079 0 - 5788 H2O 1258 H2O O1 4 -0.847600 15.9994 0 - 5789 H2O 1258 H2O H1 3 0.423800 1.0079 0 - 5790 H2O 1258 H2O H2 3 0.423800 1.0079 0 - 5791 H2O 1259 H2O O1 4 -0.847600 15.9994 0 - 5792 H2O 1259 H2O H1 3 0.423800 1.0079 0 - 5793 H2O 1259 H2O H2 3 0.423800 1.0079 0 - 5794 H2O 1260 H2O O1 4 -0.847600 15.9994 0 - 5795 H2O 1260 H2O H1 3 0.423800 1.0079 0 - 5796 H2O 1260 H2O H2 3 0.423800 1.0079 0 - 5797 H2O 1261 H2O O1 4 -0.847600 15.9994 0 - 5798 H2O 1261 H2O H1 3 0.423800 1.0079 0 - 5799 H2O 1261 H2O H2 3 0.423800 1.0079 0 - 5800 H2O 1262 H2O O1 4 -0.847600 15.9994 0 - 5801 H2O 1262 H2O H1 3 0.423800 1.0079 0 - 5802 H2O 1262 H2O H2 3 0.423800 1.0079 0 - 5803 H2O 1263 H2O O1 4 -0.847600 15.9994 0 - 5804 H2O 1263 H2O H1 3 0.423800 1.0079 0 - 5805 H2O 1263 H2O H2 3 0.423800 1.0079 0 - 5806 H2O 1264 H2O O1 4 -0.847600 15.9994 0 - 5807 H2O 1264 H2O H1 3 0.423800 1.0079 0 - 5808 H2O 1264 H2O H2 3 0.423800 1.0079 0 - 5809 H2O 1265 H2O O1 4 -0.847600 15.9994 0 - 5810 H2O 1265 H2O H1 3 0.423800 1.0079 0 - 5811 H2O 1265 H2O H2 3 0.423800 1.0079 0 - 5812 H2O 1266 H2O O1 4 -0.847600 15.9994 0 - 5813 H2O 1266 H2O H1 3 0.423800 1.0079 0 - 5814 H2O 1266 H2O H2 3 0.423800 1.0079 0 - 5815 H2O 1267 H2O O1 4 -0.847600 15.9994 0 - 5816 H2O 1267 H2O H1 3 0.423800 1.0079 0 - 5817 H2O 1267 H2O H2 3 0.423800 1.0079 0 - 5818 H2O 1268 H2O O1 4 -0.847600 15.9994 0 - 5819 H2O 1268 H2O H1 3 0.423800 1.0079 0 - 5820 H2O 1268 H2O H2 3 0.423800 1.0079 0 - 5821 H2O 1269 H2O O1 4 -0.847600 15.9994 0 - 5822 H2O 1269 H2O H1 3 0.423800 1.0079 0 - 5823 H2O 1269 H2O H2 3 0.423800 1.0079 0 - 5824 H2O 1270 H2O O1 4 -0.847600 15.9994 0 - 5825 H2O 1270 H2O H1 3 0.423800 1.0079 0 - 5826 H2O 1270 H2O H2 3 0.423800 1.0079 0 - 5827 H2O 1271 H2O O1 4 -0.847600 15.9994 0 - 5828 H2O 1271 H2O H1 3 0.423800 1.0079 0 - 5829 H2O 1271 H2O H2 3 0.423800 1.0079 0 - 5830 H2O 1272 H2O O1 4 -0.847600 15.9994 0 - 5831 H2O 1272 H2O H1 3 0.423800 1.0079 0 - 5832 H2O 1272 H2O H2 3 0.423800 1.0079 0 - 5833 H2O 1273 H2O O1 4 -0.847600 15.9994 0 - 5834 H2O 1273 H2O H1 3 0.423800 1.0079 0 - 5835 H2O 1273 H2O H2 3 0.423800 1.0079 0 - 5836 H2O 1274 H2O O1 4 -0.847600 15.9994 0 - 5837 H2O 1274 H2O H1 3 0.423800 1.0079 0 - 5838 H2O 1274 H2O H2 3 0.423800 1.0079 0 - 5839 H2O 1275 H2O O1 4 -0.847600 15.9994 0 - 5840 H2O 1275 H2O H1 3 0.423800 1.0079 0 - 5841 H2O 1275 H2O H2 3 0.423800 1.0079 0 - 5842 H2O 1276 H2O O1 4 -0.847600 15.9994 0 - 5843 H2O 1276 H2O H1 3 0.423800 1.0079 0 - 5844 H2O 1276 H2O H2 3 0.423800 1.0079 0 - 5845 H2O 1277 H2O O1 4 -0.847600 15.9994 0 - 5846 H2O 1277 H2O H1 3 0.423800 1.0079 0 - 5847 H2O 1277 H2O H2 3 0.423800 1.0079 0 - 5848 H2O 1278 H2O O1 4 -0.847600 15.9994 0 - 5849 H2O 1278 H2O H1 3 0.423800 1.0079 0 - 5850 H2O 1278 H2O H2 3 0.423800 1.0079 0 - 5851 H2O 1279 H2O O1 4 -0.847600 15.9994 0 - 5852 H2O 1279 H2O H1 3 0.423800 1.0079 0 - 5853 H2O 1279 H2O H2 3 0.423800 1.0079 0 - 5854 H2O 1280 H2O O1 4 -0.847600 15.9994 0 - 5855 H2O 1280 H2O H1 3 0.423800 1.0079 0 - 5856 H2O 1280 H2O H2 3 0.423800 1.0079 0 - 5857 H2O 1281 H2O O1 4 -0.847600 15.9994 0 - 5858 H2O 1281 H2O H1 3 0.423800 1.0079 0 - 5859 H2O 1281 H2O H2 3 0.423800 1.0079 0 - 5860 H2O 1282 H2O O1 4 -0.847600 15.9994 0 - 5861 H2O 1282 H2O H1 3 0.423800 1.0079 0 - 5862 H2O 1282 H2O H2 3 0.423800 1.0079 0 - 5863 H2O 1283 H2O O1 4 -0.847600 15.9994 0 - 5864 H2O 1283 H2O H1 3 0.423800 1.0079 0 - 5865 H2O 1283 H2O H2 3 0.423800 1.0079 0 - 5866 H2O 1284 H2O O1 4 -0.847600 15.9994 0 - 5867 H2O 1284 H2O H1 3 0.423800 1.0079 0 - 5868 H2O 1284 H2O H2 3 0.423800 1.0079 0 - 5869 H2O 1285 H2O O1 4 -0.847600 15.9994 0 - 5870 H2O 1285 H2O H1 3 0.423800 1.0079 0 - 5871 H2O 1285 H2O H2 3 0.423800 1.0079 0 - 5872 H2O 1286 H2O O1 4 -0.847600 15.9994 0 - 5873 H2O 1286 H2O H1 3 0.423800 1.0079 0 - 5874 H2O 1286 H2O H2 3 0.423800 1.0079 0 - 5875 H2O 1287 H2O O1 4 -0.847600 15.9994 0 - 5876 H2O 1287 H2O H1 3 0.423800 1.0079 0 - 5877 H2O 1287 H2O H2 3 0.423800 1.0079 0 - 5878 H2O 1288 H2O O1 4 -0.847600 15.9994 0 - 5879 H2O 1288 H2O H1 3 0.423800 1.0079 0 - 5880 H2O 1288 H2O H2 3 0.423800 1.0079 0 - 5881 H2O 1289 H2O O1 4 -0.847600 15.9994 0 - 5882 H2O 1289 H2O H1 3 0.423800 1.0079 0 - 5883 H2O 1289 H2O H2 3 0.423800 1.0079 0 - 5884 H2O 1290 H2O O1 4 -0.847600 15.9994 0 - 5885 H2O 1290 H2O H1 3 0.423800 1.0079 0 - 5886 H2O 1290 H2O H2 3 0.423800 1.0079 0 - 5887 H2O 1291 H2O O1 4 -0.847600 15.9994 0 - 5888 H2O 1291 H2O H1 3 0.423800 1.0079 0 - 5889 H2O 1291 H2O H2 3 0.423800 1.0079 0 - 5890 H2O 1292 H2O O1 4 -0.847600 15.9994 0 - 5891 H2O 1292 H2O H1 3 0.423800 1.0079 0 - 5892 H2O 1292 H2O H2 3 0.423800 1.0079 0 - 5893 H2O 1293 H2O O1 4 -0.847600 15.9994 0 - 5894 H2O 1293 H2O H1 3 0.423800 1.0079 0 - 5895 H2O 1293 H2O H2 3 0.423800 1.0079 0 - 5896 H2O 1294 H2O O1 4 -0.847600 15.9994 0 - 5897 H2O 1294 H2O H1 3 0.423800 1.0079 0 - 5898 H2O 1294 H2O H2 3 0.423800 1.0079 0 - 5899 H2O 1295 H2O O1 4 -0.847600 15.9994 0 - 5900 H2O 1295 H2O H1 3 0.423800 1.0079 0 - 5901 H2O 1295 H2O H2 3 0.423800 1.0079 0 - 5902 H2O 1296 H2O O1 4 -0.847600 15.9994 0 - 5903 H2O 1296 H2O H1 3 0.423800 1.0079 0 - 5904 H2O 1296 H2O H2 3 0.423800 1.0079 0 - 5905 H2O 1297 H2O O1 4 -0.847600 15.9994 0 - 5906 H2O 1297 H2O H1 3 0.423800 1.0079 0 - 5907 H2O 1297 H2O H2 3 0.423800 1.0079 0 - 5908 H2O 1298 H2O O1 4 -0.847600 15.9994 0 - 5909 H2O 1298 H2O H1 3 0.423800 1.0079 0 - 5910 H2O 1298 H2O H2 3 0.423800 1.0079 0 - 5911 H2O 1299 H2O O1 4 -0.847600 15.9994 0 - 5912 H2O 1299 H2O H1 3 0.423800 1.0079 0 - 5913 H2O 1299 H2O H2 3 0.423800 1.0079 0 - 5914 H2O 1300 H2O O1 4 -0.847600 15.9994 0 - 5915 H2O 1300 H2O H1 3 0.423800 1.0079 0 - 5916 H2O 1300 H2O H2 3 0.423800 1.0079 0 - 5917 H2O 1301 H2O O1 4 -0.847600 15.9994 0 - 5918 H2O 1301 H2O H1 3 0.423800 1.0079 0 - 5919 H2O 1301 H2O H2 3 0.423800 1.0079 0 - 5920 H2O 1302 H2O O1 4 -0.847600 15.9994 0 - 5921 H2O 1302 H2O H1 3 0.423800 1.0079 0 - 5922 H2O 1302 H2O H2 3 0.423800 1.0079 0 - 5923 H2O 1303 H2O O1 4 -0.847600 15.9994 0 - 5924 H2O 1303 H2O H1 3 0.423800 1.0079 0 - 5925 H2O 1303 H2O H2 3 0.423800 1.0079 0 - 5926 H2O 1304 H2O O1 4 -0.847600 15.9994 0 - 5927 H2O 1304 H2O H1 3 0.423800 1.0079 0 - 5928 H2O 1304 H2O H2 3 0.423800 1.0079 0 - 5929 H2O 1305 H2O O1 4 -0.847600 15.9994 0 - 5930 H2O 1305 H2O H1 3 0.423800 1.0079 0 - 5931 H2O 1305 H2O H2 3 0.423800 1.0079 0 - 5932 H2O 1306 H2O O1 4 -0.847600 15.9994 0 - 5933 H2O 1306 H2O H1 3 0.423800 1.0079 0 - 5934 H2O 1306 H2O H2 3 0.423800 1.0079 0 - 5935 H2O 1307 H2O O1 4 -0.847600 15.9994 0 - 5936 H2O 1307 H2O H1 3 0.423800 1.0079 0 - 5937 H2O 1307 H2O H2 3 0.423800 1.0079 0 - 5938 H2O 1308 H2O O1 4 -0.847600 15.9994 0 - 5939 H2O 1308 H2O H1 3 0.423800 1.0079 0 - 5940 H2O 1308 H2O H2 3 0.423800 1.0079 0 - 5941 H2O 1309 H2O O1 4 -0.847600 15.9994 0 - 5942 H2O 1309 H2O H1 3 0.423800 1.0079 0 - 5943 H2O 1309 H2O H2 3 0.423800 1.0079 0 - 5944 H2O 1310 H2O O1 4 -0.847600 15.9994 0 - 5945 H2O 1310 H2O H1 3 0.423800 1.0079 0 - 5946 H2O 1310 H2O H2 3 0.423800 1.0079 0 - 5947 H2O 1311 H2O O1 4 -0.847600 15.9994 0 - 5948 H2O 1311 H2O H1 3 0.423800 1.0079 0 - 5949 H2O 1311 H2O H2 3 0.423800 1.0079 0 - 5950 H2O 1312 H2O O1 4 -0.847600 15.9994 0 - 5951 H2O 1312 H2O H1 3 0.423800 1.0079 0 - 5952 H2O 1312 H2O H2 3 0.423800 1.0079 0 - 5953 H2O 1313 H2O O1 4 -0.847600 15.9994 0 - 5954 H2O 1313 H2O H1 3 0.423800 1.0079 0 - 5955 H2O 1313 H2O H2 3 0.423800 1.0079 0 - 5956 H2O 1314 H2O O1 4 -0.847600 15.9994 0 - 5957 H2O 1314 H2O H1 3 0.423800 1.0079 0 - 5958 H2O 1314 H2O H2 3 0.423800 1.0079 0 - 5959 H2O 1315 H2O O1 4 -0.847600 15.9994 0 - 5960 H2O 1315 H2O H1 3 0.423800 1.0079 0 - 5961 H2O 1315 H2O H2 3 0.423800 1.0079 0 - 5962 H2O 1316 H2O O1 4 -0.847600 15.9994 0 - 5963 H2O 1316 H2O H1 3 0.423800 1.0079 0 - 5964 H2O 1316 H2O H2 3 0.423800 1.0079 0 - 5965 H2O 1317 H2O O1 4 -0.847600 15.9994 0 - 5966 H2O 1317 H2O H1 3 0.423800 1.0079 0 - 5967 H2O 1317 H2O H2 3 0.423800 1.0079 0 - 5968 H2O 1318 H2O O1 4 -0.847600 15.9994 0 - 5969 H2O 1318 H2O H1 3 0.423800 1.0079 0 - 5970 H2O 1318 H2O H2 3 0.423800 1.0079 0 - 5971 H2O 1319 H2O O1 4 -0.847600 15.9994 0 - 5972 H2O 1319 H2O H1 3 0.423800 1.0079 0 - 5973 H2O 1319 H2O H2 3 0.423800 1.0079 0 - 5974 H2O 1320 H2O O1 4 -0.847600 15.9994 0 - 5975 H2O 1320 H2O H1 3 0.423800 1.0079 0 - 5976 H2O 1320 H2O H2 3 0.423800 1.0079 0 - 5977 H2O 1321 H2O O1 4 -0.847600 15.9994 0 - 5978 H2O 1321 H2O H1 3 0.423800 1.0079 0 - 5979 H2O 1321 H2O H2 3 0.423800 1.0079 0 - 5980 H2O 1322 H2O O1 4 -0.847600 15.9994 0 - 5981 H2O 1322 H2O H1 3 0.423800 1.0079 0 - 5982 H2O 1322 H2O H2 3 0.423800 1.0079 0 - 5983 H2O 1323 H2O O1 4 -0.847600 15.9994 0 - 5984 H2O 1323 H2O H1 3 0.423800 1.0079 0 - 5985 H2O 1323 H2O H2 3 0.423800 1.0079 0 - 5986 H2O 1324 H2O O1 4 -0.847600 15.9994 0 - 5987 H2O 1324 H2O H1 3 0.423800 1.0079 0 - 5988 H2O 1324 H2O H2 3 0.423800 1.0079 0 - 5989 H2O 1325 H2O O1 4 -0.847600 15.9994 0 - 5990 H2O 1325 H2O H1 3 0.423800 1.0079 0 - 5991 H2O 1325 H2O H2 3 0.423800 1.0079 0 - 5992 H2O 1326 H2O O1 4 -0.847600 15.9994 0 - 5993 H2O 1326 H2O H1 3 0.423800 1.0079 0 - 5994 H2O 1326 H2O H2 3 0.423800 1.0079 0 - 5995 H2O 1327 H2O O1 4 -0.847600 15.9994 0 - 5996 H2O 1327 H2O H1 3 0.423800 1.0079 0 - 5997 H2O 1327 H2O H2 3 0.423800 1.0079 0 - 5998 H2O 1328 H2O O1 4 -0.847600 15.9994 0 - 5999 H2O 1328 H2O H1 3 0.423800 1.0079 0 - 6000 H2O 1328 H2O H2 3 0.423800 1.0079 0 - 6001 H2O 1329 H2O O1 4 -0.847600 15.9994 0 - 6002 H2O 1329 H2O H1 3 0.423800 1.0079 0 - 6003 H2O 1329 H2O H2 3 0.423800 1.0079 0 - 6004 H2O 1330 H2O O1 4 -0.847600 15.9994 0 - 6005 H2O 1330 H2O H1 3 0.423800 1.0079 0 - 6006 H2O 1330 H2O H2 3 0.423800 1.0079 0 - 6007 H2O 1331 H2O O1 4 -0.847600 15.9994 0 - 6008 H2O 1331 H2O H1 3 0.423800 1.0079 0 - 6009 H2O 1331 H2O H2 3 0.423800 1.0079 0 - 6010 H2O 1332 H2O O1 4 -0.847600 15.9994 0 - 6011 H2O 1332 H2O H1 3 0.423800 1.0079 0 - 6012 H2O 1332 H2O H2 3 0.423800 1.0079 0 - 6013 H2O 1333 H2O O1 4 -0.847600 15.9994 0 - 6014 H2O 1333 H2O H1 3 0.423800 1.0079 0 - 6015 H2O 1333 H2O H2 3 0.423800 1.0079 0 - 6016 H2O 1334 H2O O1 4 -0.847600 15.9994 0 - 6017 H2O 1334 H2O H1 3 0.423800 1.0079 0 - 6018 H2O 1334 H2O H2 3 0.423800 1.0079 0 - 6019 H2O 1335 H2O O1 4 -0.847600 15.9994 0 - 6020 H2O 1335 H2O H1 3 0.423800 1.0079 0 - 6021 H2O 1335 H2O H2 3 0.423800 1.0079 0 - 6022 H2O 1336 H2O O1 4 -0.847600 15.9994 0 - 6023 H2O 1336 H2O H1 3 0.423800 1.0079 0 - 6024 H2O 1336 H2O H2 3 0.423800 1.0079 0 - 6025 H2O 1337 H2O O1 4 -0.847600 15.9994 0 - 6026 H2O 1337 H2O H1 3 0.423800 1.0079 0 - 6027 H2O 1337 H2O H2 3 0.423800 1.0079 0 - 6028 H2O 1338 H2O O1 4 -0.847600 15.9994 0 - 6029 H2O 1338 H2O H1 3 0.423800 1.0079 0 - 6030 H2O 1338 H2O H2 3 0.423800 1.0079 0 - 6031 H2O 1339 H2O O1 4 -0.847600 15.9994 0 - 6032 H2O 1339 H2O H1 3 0.423800 1.0079 0 - 6033 H2O 1339 H2O H2 3 0.423800 1.0079 0 - 6034 H2O 1340 H2O O1 4 -0.847600 15.9994 0 - 6035 H2O 1340 H2O H1 3 0.423800 1.0079 0 - 6036 H2O 1340 H2O H2 3 0.423800 1.0079 0 - 6037 H2O 1341 H2O O1 4 -0.847600 15.9994 0 - 6038 H2O 1341 H2O H1 3 0.423800 1.0079 0 - 6039 H2O 1341 H2O H2 3 0.423800 1.0079 0 - 6040 H2O 1342 H2O O1 4 -0.847600 15.9994 0 - 6041 H2O 1342 H2O H1 3 0.423800 1.0079 0 - 6042 H2O 1342 H2O H2 3 0.423800 1.0079 0 - 6043 H2O 1343 H2O O1 4 -0.847600 15.9994 0 - 6044 H2O 1343 H2O H1 3 0.423800 1.0079 0 - 6045 H2O 1343 H2O H2 3 0.423800 1.0079 0 - 6046 H2O 1344 H2O O1 4 -0.847600 15.9994 0 - 6047 H2O 1344 H2O H1 3 0.423800 1.0079 0 - 6048 H2O 1344 H2O H2 3 0.423800 1.0079 0 - 6049 H2O 1345 H2O O1 4 -0.847600 15.9994 0 - 6050 H2O 1345 H2O H1 3 0.423800 1.0079 0 - 6051 H2O 1345 H2O H2 3 0.423800 1.0079 0 - 6052 H2O 1346 H2O O1 4 -0.847600 15.9994 0 - 6053 H2O 1346 H2O H1 3 0.423800 1.0079 0 - 6054 H2O 1346 H2O H2 3 0.423800 1.0079 0 - 6055 H2O 1347 H2O O1 4 -0.847600 15.9994 0 - 6056 H2O 1347 H2O H1 3 0.423800 1.0079 0 - 6057 H2O 1347 H2O H2 3 0.423800 1.0079 0 - 6058 H2O 1348 H2O O1 4 -0.847600 15.9994 0 - 6059 H2O 1348 H2O H1 3 0.423800 1.0079 0 - 6060 H2O 1348 H2O H2 3 0.423800 1.0079 0 - 6061 H2O 1349 H2O O1 4 -0.847600 15.9994 0 - 6062 H2O 1349 H2O H1 3 0.423800 1.0079 0 - 6063 H2O 1349 H2O H2 3 0.423800 1.0079 0 - 6064 H2O 1350 H2O O1 4 -0.847600 15.9994 0 - 6065 H2O 1350 H2O H1 3 0.423800 1.0079 0 - 6066 H2O 1350 H2O H2 3 0.423800 1.0079 0 - 6067 H2O 1351 H2O O1 4 -0.847600 15.9994 0 - 6068 H2O 1351 H2O H1 3 0.423800 1.0079 0 - 6069 H2O 1351 H2O H2 3 0.423800 1.0079 0 - 6070 H2O 1352 H2O O1 4 -0.847600 15.9994 0 - 6071 H2O 1352 H2O H1 3 0.423800 1.0079 0 - 6072 H2O 1352 H2O H2 3 0.423800 1.0079 0 - 6073 H2O 1353 H2O O1 4 -0.847600 15.9994 0 - 6074 H2O 1353 H2O H1 3 0.423800 1.0079 0 - 6075 H2O 1353 H2O H2 3 0.423800 1.0079 0 - 6076 H2O 1354 H2O O1 4 -0.847600 15.9994 0 - 6077 H2O 1354 H2O H1 3 0.423800 1.0079 0 - 6078 H2O 1354 H2O H2 3 0.423800 1.0079 0 - 6079 H2O 1355 H2O O1 4 -0.847600 15.9994 0 - 6080 H2O 1355 H2O H1 3 0.423800 1.0079 0 - 6081 H2O 1355 H2O H2 3 0.423800 1.0079 0 - 6082 H2O 1356 H2O O1 4 -0.847600 15.9994 0 - 6083 H2O 1356 H2O H1 3 0.423800 1.0079 0 - 6084 H2O 1356 H2O H2 3 0.423800 1.0079 0 - 6085 H2O 1357 H2O O1 4 -0.847600 15.9994 0 - 6086 H2O 1357 H2O H1 3 0.423800 1.0079 0 - 6087 H2O 1357 H2O H2 3 0.423800 1.0079 0 - 6088 H2O 1358 H2O O1 4 -0.847600 15.9994 0 - 6089 H2O 1358 H2O H1 3 0.423800 1.0079 0 - 6090 H2O 1358 H2O H2 3 0.423800 1.0079 0 - 6091 H2O 1359 H2O O1 4 -0.847600 15.9994 0 - 6092 H2O 1359 H2O H1 3 0.423800 1.0079 0 - 6093 H2O 1359 H2O H2 3 0.423800 1.0079 0 - 6094 H2O 1360 H2O O1 4 -0.847600 15.9994 0 - 6095 H2O 1360 H2O H1 3 0.423800 1.0079 0 - 6096 H2O 1360 H2O H2 3 0.423800 1.0079 0 - 6097 H2O 1361 H2O O1 4 -0.847600 15.9994 0 - 6098 H2O 1361 H2O H1 3 0.423800 1.0079 0 - 6099 H2O 1361 H2O H2 3 0.423800 1.0079 0 - 6100 H2O 1362 H2O O1 4 -0.847600 15.9994 0 - 6101 H2O 1362 H2O H1 3 0.423800 1.0079 0 - 6102 H2O 1362 H2O H2 3 0.423800 1.0079 0 - 6103 H2O 1363 H2O O1 4 -0.847600 15.9994 0 - 6104 H2O 1363 H2O H1 3 0.423800 1.0079 0 - 6105 H2O 1363 H2O H2 3 0.423800 1.0079 0 - 6106 H2O 1364 H2O O1 4 -0.847600 15.9994 0 - 6107 H2O 1364 H2O H1 3 0.423800 1.0079 0 - 6108 H2O 1364 H2O H2 3 0.423800 1.0079 0 - 6109 H2O 1365 H2O O1 4 -0.847600 15.9994 0 - 6110 H2O 1365 H2O H1 3 0.423800 1.0079 0 - 6111 H2O 1365 H2O H2 3 0.423800 1.0079 0 - 6112 H2O 1366 H2O O1 4 -0.847600 15.9994 0 - 6113 H2O 1366 H2O H1 3 0.423800 1.0079 0 - 6114 H2O 1366 H2O H2 3 0.423800 1.0079 0 - 6115 H2O 1367 H2O O1 4 -0.847600 15.9994 0 - 6116 H2O 1367 H2O H1 3 0.423800 1.0079 0 - 6117 H2O 1367 H2O H2 3 0.423800 1.0079 0 - 6118 H2O 1368 H2O O1 4 -0.847600 15.9994 0 - 6119 H2O 1368 H2O H1 3 0.423800 1.0079 0 - 6120 H2O 1368 H2O H2 3 0.423800 1.0079 0 - 6121 H2O 1369 H2O O1 4 -0.847600 15.9994 0 - 6122 H2O 1369 H2O H1 3 0.423800 1.0079 0 - 6123 H2O 1369 H2O H2 3 0.423800 1.0079 0 - 6124 H2O 1370 H2O O1 4 -0.847600 15.9994 0 - 6125 H2O 1370 H2O H1 3 0.423800 1.0079 0 - 6126 H2O 1370 H2O H2 3 0.423800 1.0079 0 - 6127 H2O 1371 H2O O1 4 -0.847600 15.9994 0 - 6128 H2O 1371 H2O H1 3 0.423800 1.0079 0 - 6129 H2O 1371 H2O H2 3 0.423800 1.0079 0 - 6130 H2O 1372 H2O O1 4 -0.847600 15.9994 0 - 6131 H2O 1372 H2O H1 3 0.423800 1.0079 0 - 6132 H2O 1372 H2O H2 3 0.423800 1.0079 0 - 6133 H2O 1373 H2O O1 4 -0.847600 15.9994 0 - 6134 H2O 1373 H2O H1 3 0.423800 1.0079 0 - 6135 H2O 1373 H2O H2 3 0.423800 1.0079 0 - 6136 H2O 1374 H2O O1 4 -0.847600 15.9994 0 - 6137 H2O 1374 H2O H1 3 0.423800 1.0079 0 - 6138 H2O 1374 H2O H2 3 0.423800 1.0079 0 - 6139 H2O 1375 H2O O1 4 -0.847600 15.9994 0 - 6140 H2O 1375 H2O H1 3 0.423800 1.0079 0 - 6141 H2O 1375 H2O H2 3 0.423800 1.0079 0 - 6142 H2O 1376 H2O O1 4 -0.847600 15.9994 0 - 6143 H2O 1376 H2O H1 3 0.423800 1.0079 0 - 6144 H2O 1376 H2O H2 3 0.423800 1.0079 0 - 6145 H2O 1377 H2O O1 4 -0.847600 15.9994 0 - 6146 H2O 1377 H2O H1 3 0.423800 1.0079 0 - 6147 H2O 1377 H2O H2 3 0.423800 1.0079 0 - 6148 H2O 1378 H2O O1 4 -0.847600 15.9994 0 - 6149 H2O 1378 H2O H1 3 0.423800 1.0079 0 - 6150 H2O 1378 H2O H2 3 0.423800 1.0079 0 - 6151 H2O 1379 H2O O1 4 -0.847600 15.9994 0 - 6152 H2O 1379 H2O H1 3 0.423800 1.0079 0 - 6153 H2O 1379 H2O H2 3 0.423800 1.0079 0 - 6154 H2O 1380 H2O O1 4 -0.847600 15.9994 0 - 6155 H2O 1380 H2O H1 3 0.423800 1.0079 0 - 6156 H2O 1380 H2O H2 3 0.423800 1.0079 0 - 6157 H2O 1381 H2O O1 4 -0.847600 15.9994 0 - 6158 H2O 1381 H2O H1 3 0.423800 1.0079 0 - 6159 H2O 1381 H2O H2 3 0.423800 1.0079 0 - 6160 H2O 1382 H2O O1 4 -0.847600 15.9994 0 - 6161 H2O 1382 H2O H1 3 0.423800 1.0079 0 - 6162 H2O 1382 H2O H2 3 0.423800 1.0079 0 - 6163 H2O 1383 H2O O1 4 -0.847600 15.9994 0 - 6164 H2O 1383 H2O H1 3 0.423800 1.0079 0 - 6165 H2O 1383 H2O H2 3 0.423800 1.0079 0 - 6166 H2O 1384 H2O O1 4 -0.847600 15.9994 0 - 6167 H2O 1384 H2O H1 3 0.423800 1.0079 0 - 6168 H2O 1384 H2O H2 3 0.423800 1.0079 0 - 6169 H2O 1385 H2O O1 4 -0.847600 15.9994 0 - 6170 H2O 1385 H2O H1 3 0.423800 1.0079 0 - 6171 H2O 1385 H2O H2 3 0.423800 1.0079 0 - 6172 H2O 1386 H2O O1 4 -0.847600 15.9994 0 - 6173 H2O 1386 H2O H1 3 0.423800 1.0079 0 - 6174 H2O 1386 H2O H2 3 0.423800 1.0079 0 - 6175 H2O 1387 H2O O1 4 -0.847600 15.9994 0 - 6176 H2O 1387 H2O H1 3 0.423800 1.0079 0 - 6177 H2O 1387 H2O H2 3 0.423800 1.0079 0 - 6178 H2O 1388 H2O O1 4 -0.847600 15.9994 0 - 6179 H2O 1388 H2O H1 3 0.423800 1.0079 0 - 6180 H2O 1388 H2O H2 3 0.423800 1.0079 0 - 6181 H2O 1389 H2O O1 4 -0.847600 15.9994 0 - 6182 H2O 1389 H2O H1 3 0.423800 1.0079 0 - 6183 H2O 1389 H2O H2 3 0.423800 1.0079 0 - 6184 H2O 1390 H2O O1 4 -0.847600 15.9994 0 - 6185 H2O 1390 H2O H1 3 0.423800 1.0079 0 - 6186 H2O 1390 H2O H2 3 0.423800 1.0079 0 - 6187 H2O 1391 H2O O1 4 -0.847600 15.9994 0 - 6188 H2O 1391 H2O H1 3 0.423800 1.0079 0 - 6189 H2O 1391 H2O H2 3 0.423800 1.0079 0 - 6190 H2O 1392 H2O O1 4 -0.847600 15.9994 0 - 6191 H2O 1392 H2O H1 3 0.423800 1.0079 0 - 6192 H2O 1392 H2O H2 3 0.423800 1.0079 0 - 6193 H2O 1393 H2O O1 4 -0.847600 15.9994 0 - 6194 H2O 1393 H2O H1 3 0.423800 1.0079 0 - 6195 H2O 1393 H2O H2 3 0.423800 1.0079 0 - 6196 H2O 1394 H2O O1 4 -0.847600 15.9994 0 - 6197 H2O 1394 H2O H1 3 0.423800 1.0079 0 - 6198 H2O 1394 H2O H2 3 0.423800 1.0079 0 - 6199 H2O 1395 H2O O1 4 -0.847600 15.9994 0 - 6200 H2O 1395 H2O H1 3 0.423800 1.0079 0 - 6201 H2O 1395 H2O H2 3 0.423800 1.0079 0 - 6202 H2O 1396 H2O O1 4 -0.847600 15.9994 0 - 6203 H2O 1396 H2O H1 3 0.423800 1.0079 0 - 6204 H2O 1396 H2O H2 3 0.423800 1.0079 0 - 6205 H2O 1397 H2O O1 4 -0.847600 15.9994 0 - 6206 H2O 1397 H2O H1 3 0.423800 1.0079 0 - 6207 H2O 1397 H2O H2 3 0.423800 1.0079 0 - 6208 H2O 1398 H2O O1 4 -0.847600 15.9994 0 - 6209 H2O 1398 H2O H1 3 0.423800 1.0079 0 - 6210 H2O 1398 H2O H2 3 0.423800 1.0079 0 - 6211 H2O 1399 H2O O1 4 -0.847600 15.9994 0 - 6212 H2O 1399 H2O H1 3 0.423800 1.0079 0 - 6213 H2O 1399 H2O H2 3 0.423800 1.0079 0 - 6214 H2O 1400 H2O O1 4 -0.847600 15.9994 0 - 6215 H2O 1400 H2O H1 3 0.423800 1.0079 0 - 6216 H2O 1400 H2O H2 3 0.423800 1.0079 0 - 6217 H2O 1401 H2O O1 4 -0.847600 15.9994 0 - 6218 H2O 1401 H2O H1 3 0.423800 1.0079 0 - 6219 H2O 1401 H2O H2 3 0.423800 1.0079 0 - 6220 H2O 1402 H2O O1 4 -0.847600 15.9994 0 - 6221 H2O 1402 H2O H1 3 0.423800 1.0079 0 - 6222 H2O 1402 H2O H2 3 0.423800 1.0079 0 - 6223 H2O 1403 H2O O1 4 -0.847600 15.9994 0 - 6224 H2O 1403 H2O H1 3 0.423800 1.0079 0 - 6225 H2O 1403 H2O H2 3 0.423800 1.0079 0 - 6226 H2O 1404 H2O O1 4 -0.847600 15.9994 0 - 6227 H2O 1404 H2O H1 3 0.423800 1.0079 0 - 6228 H2O 1404 H2O H2 3 0.423800 1.0079 0 - 6229 H2O 1405 H2O O1 4 -0.847600 15.9994 0 - 6230 H2O 1405 H2O H1 3 0.423800 1.0079 0 - 6231 H2O 1405 H2O H2 3 0.423800 1.0079 0 - 6232 H2O 1406 H2O O1 4 -0.847600 15.9994 0 - 6233 H2O 1406 H2O H1 3 0.423800 1.0079 0 - 6234 H2O 1406 H2O H2 3 0.423800 1.0079 0 - 6235 H2O 1407 H2O O1 4 -0.847600 15.9994 0 - 6236 H2O 1407 H2O H1 3 0.423800 1.0079 0 - 6237 H2O 1407 H2O H2 3 0.423800 1.0079 0 - 6238 H2O 1408 H2O O1 4 -0.847600 15.9994 0 - 6239 H2O 1408 H2O H1 3 0.423800 1.0079 0 - 6240 H2O 1408 H2O H2 3 0.423800 1.0079 0 - 6241 H2O 1409 H2O O1 4 -0.847600 15.9994 0 - 6242 H2O 1409 H2O H1 3 0.423800 1.0079 0 - 6243 H2O 1409 H2O H2 3 0.423800 1.0079 0 - 6244 H2O 1410 H2O O1 4 -0.847600 15.9994 0 - 6245 H2O 1410 H2O H1 3 0.423800 1.0079 0 - 6246 H2O 1410 H2O H2 3 0.423800 1.0079 0 - 6247 H2O 1411 H2O O1 4 -0.847600 15.9994 0 - 6248 H2O 1411 H2O H1 3 0.423800 1.0079 0 - 6249 H2O 1411 H2O H2 3 0.423800 1.0079 0 - 6250 H2O 1412 H2O O1 4 -0.847600 15.9994 0 - 6251 H2O 1412 H2O H1 3 0.423800 1.0079 0 - 6252 H2O 1412 H2O H2 3 0.423800 1.0079 0 - 6253 H2O 1413 H2O O1 4 -0.847600 15.9994 0 - 6254 H2O 1413 H2O H1 3 0.423800 1.0079 0 - 6255 H2O 1413 H2O H2 3 0.423800 1.0079 0 - 6256 H2O 1414 H2O O1 4 -0.847600 15.9994 0 - 6257 H2O 1414 H2O H1 3 0.423800 1.0079 0 - 6258 H2O 1414 H2O H2 3 0.423800 1.0079 0 - 6259 H2O 1415 H2O O1 4 -0.847600 15.9994 0 - 6260 H2O 1415 H2O H1 3 0.423800 1.0079 0 - 6261 H2O 1415 H2O H2 3 0.423800 1.0079 0 - 6262 H2O 1416 H2O O1 4 -0.847600 15.9994 0 - 6263 H2O 1416 H2O H1 3 0.423800 1.0079 0 - 6264 H2O 1416 H2O H2 3 0.423800 1.0079 0 - 6265 H2O 1417 H2O O1 4 -0.847600 15.9994 0 - 6266 H2O 1417 H2O H1 3 0.423800 1.0079 0 - 6267 H2O 1417 H2O H2 3 0.423800 1.0079 0 - 6268 H2O 1418 H2O O1 4 -0.847600 15.9994 0 - 6269 H2O 1418 H2O H1 3 0.423800 1.0079 0 - 6270 H2O 1418 H2O H2 3 0.423800 1.0079 0 - 6271 H2O 1419 H2O O1 4 -0.847600 15.9994 0 - 6272 H2O 1419 H2O H1 3 0.423800 1.0079 0 - 6273 H2O 1419 H2O H2 3 0.423800 1.0079 0 - 6274 H2O 1420 H2O O1 4 -0.847600 15.9994 0 - 6275 H2O 1420 H2O H1 3 0.423800 1.0079 0 - 6276 H2O 1420 H2O H2 3 0.423800 1.0079 0 - 6277 H2O 1421 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6346 H2O 1444 H2O O1 4 -0.847600 15.9994 0 - 6347 H2O 1444 H2O H1 3 0.423800 1.0079 0 - 6348 H2O 1444 H2O H2 3 0.423800 1.0079 0 - 6349 H2O 1445 H2O O1 4 -0.847600 15.9994 0 - 6350 H2O 1445 H2O H1 3 0.423800 1.0079 0 - 6351 H2O 1445 H2O H2 3 0.423800 1.0079 0 - 6352 H2O 1446 H2O O1 4 -0.847600 15.9994 0 - 6353 H2O 1446 H2O H1 3 0.423800 1.0079 0 - 6354 H2O 1446 H2O H2 3 0.423800 1.0079 0 - 6355 H2O 1447 H2O O1 4 -0.847600 15.9994 0 - 6356 H2O 1447 H2O H1 3 0.423800 1.0079 0 - 6357 H2O 1447 H2O H2 3 0.423800 1.0079 0 - 6358 H2O 1448 H2O O1 4 -0.847600 15.9994 0 - 6359 H2O 1448 H2O H1 3 0.423800 1.0079 0 - 6360 H2O 1448 H2O H2 3 0.423800 1.0079 0 - 6361 H2O 1449 H2O O1 4 -0.847600 15.9994 0 - 6362 H2O 1449 H2O H1 3 0.423800 1.0079 0 - 6363 H2O 1449 H2O H2 3 0.423800 1.0079 0 - 6364 H2O 1450 H2O O1 4 -0.847600 15.9994 0 - 6365 H2O 1450 H2O H1 3 0.423800 1.0079 0 - 6366 H2O 1450 H2O H2 3 0.423800 1.0079 0 - 6367 H2O 1451 H2O O1 4 -0.847600 15.9994 0 - 6368 H2O 1451 H2O H1 3 0.423800 1.0079 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15.9994 0 - 6392 H2O 1459 H2O H1 3 0.423800 1.0079 0 - 6393 H2O 1459 H2O H2 3 0.423800 1.0079 0 - 6394 H2O 1460 H2O O1 4 -0.847600 15.9994 0 - 6395 H2O 1460 H2O H1 3 0.423800 1.0079 0 - 6396 H2O 1460 H2O H2 3 0.423800 1.0079 0 - 6397 H2O 1461 H2O O1 4 -0.847600 15.9994 0 - 6398 H2O 1461 H2O H1 3 0.423800 1.0079 0 - 6399 H2O 1461 H2O H2 3 0.423800 1.0079 0 - 6400 H2O 1462 H2O O1 4 -0.847600 15.9994 0 - 6401 H2O 1462 H2O H1 3 0.423800 1.0079 0 - 6402 H2O 1462 H2O H2 3 0.423800 1.0079 0 - 6403 H2O 1463 H2O O1 4 -0.847600 15.9994 0 - 6404 H2O 1463 H2O H1 3 0.423800 1.0079 0 - 6405 H2O 1463 H2O H2 3 0.423800 1.0079 0 - 6406 H2O 1464 H2O O1 4 -0.847600 15.9994 0 - 6407 H2O 1464 H2O H1 3 0.423800 1.0079 0 - 6408 H2O 1464 H2O H2 3 0.423800 1.0079 0 - 6409 H2O 1465 H2O O1 4 -0.847600 15.9994 0 - 6410 H2O 1465 H2O H1 3 0.423800 1.0079 0 - 6411 H2O 1465 H2O H2 3 0.423800 1.0079 0 - 6412 H2O 1466 H2O O1 4 -0.847600 15.9994 0 - 6413 H2O 1466 H2O H1 3 0.423800 1.0079 0 - 6414 H2O 1466 H2O H2 3 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H1 3 0.423800 1.0079 0 - 6438 H2O 1474 H2O H2 3 0.423800 1.0079 0 - 6439 H2O 1475 H2O O1 4 -0.847600 15.9994 0 - 6440 H2O 1475 H2O H1 3 0.423800 1.0079 0 - 6441 H2O 1475 H2O H2 3 0.423800 1.0079 0 - 6442 H2O 1476 H2O O1 4 -0.847600 15.9994 0 - 6443 H2O 1476 H2O H1 3 0.423800 1.0079 0 - 6444 H2O 1476 H2O H2 3 0.423800 1.0079 0 - 6445 H2O 1477 H2O O1 4 -0.847600 15.9994 0 - 6446 H2O 1477 H2O H1 3 0.423800 1.0079 0 - 6447 H2O 1477 H2O H2 3 0.423800 1.0079 0 - 6448 H2O 1478 H2O O1 4 -0.847600 15.9994 0 - 6449 H2O 1478 H2O H1 3 0.423800 1.0079 0 - 6450 H2O 1478 H2O H2 3 0.423800 1.0079 0 - 6451 H2O 1479 H2O O1 4 -0.847600 15.9994 0 - 6452 H2O 1479 H2O H1 3 0.423800 1.0079 0 - 6453 H2O 1479 H2O H2 3 0.423800 1.0079 0 - 6454 H2O 1480 H2O O1 4 -0.847600 15.9994 0 - 6455 H2O 1480 H2O H1 3 0.423800 1.0079 0 - 6456 H2O 1480 H2O H2 3 0.423800 1.0079 0 - 6457 H2O 1481 H2O O1 4 -0.847600 15.9994 0 - 6458 H2O 1481 H2O H1 3 0.423800 1.0079 0 - 6459 H2O 1481 H2O H2 3 0.423800 1.0079 0 - 6460 H2O 1482 H2O O1 4 -0.847600 15.9994 0 - 6461 H2O 1482 H2O H1 3 0.423800 1.0079 0 - 6462 H2O 1482 H2O H2 3 0.423800 1.0079 0 - 6463 H2O 1483 H2O O1 4 -0.847600 15.9994 0 - 6464 H2O 1483 H2O H1 3 0.423800 1.0079 0 - 6465 H2O 1483 H2O H2 3 0.423800 1.0079 0 - 6466 H2O 1484 H2O O1 4 -0.847600 15.9994 0 - 6467 H2O 1484 H2O H1 3 0.423800 1.0079 0 - 6468 H2O 1484 H2O H2 3 0.423800 1.0079 0 - 6469 H2O 1485 H2O O1 4 -0.847600 15.9994 0 - 6470 H2O 1485 H2O H1 3 0.423800 1.0079 0 - 6471 H2O 1485 H2O H2 3 0.423800 1.0079 0 - 6472 H2O 1486 H2O O1 4 -0.847600 15.9994 0 - 6473 H2O 1486 H2O H1 3 0.423800 1.0079 0 - 6474 H2O 1486 H2O H2 3 0.423800 1.0079 0 - 6475 H2O 1487 H2O O1 4 -0.847600 15.9994 0 - 6476 H2O 1487 H2O H1 3 0.423800 1.0079 0 - 6477 H2O 1487 H2O H2 3 0.423800 1.0079 0 - 6478 H2O 1488 H2O O1 4 -0.847600 15.9994 0 - 6479 H2O 1488 H2O H1 3 0.423800 1.0079 0 - 6480 H2O 1488 H2O H2 3 0.423800 1.0079 0 - 6481 H2O 1489 H2O O1 4 -0.847600 15.9994 0 - 6482 H2O 1489 H2O H1 3 0.423800 1.0079 0 - 6483 H2O 1489 H2O H2 3 0.423800 1.0079 0 - 6484 H2O 1490 H2O O1 4 -0.847600 15.9994 0 - 6485 H2O 1490 H2O H1 3 0.423800 1.0079 0 - 6486 H2O 1490 H2O H2 3 0.423800 1.0079 0 - 6487 H2O 1491 H2O O1 4 -0.847600 15.9994 0 - 6488 H2O 1491 H2O H1 3 0.423800 1.0079 0 - 6489 H2O 1491 H2O H2 3 0.423800 1.0079 0 - 6490 H2O 1492 H2O O1 4 -0.847600 15.9994 0 - 6491 H2O 1492 H2O H1 3 0.423800 1.0079 0 - 6492 H2O 1492 H2O H2 3 0.423800 1.0079 0 - 6493 H2O 1493 H2O O1 4 -0.847600 15.9994 0 - 6494 H2O 1493 H2O H1 3 0.423800 1.0079 0 - 6495 H2O 1493 H2O H2 3 0.423800 1.0079 0 - 6496 H2O 1494 H2O O1 4 -0.847600 15.9994 0 - 6497 H2O 1494 H2O H1 3 0.423800 1.0079 0 - 6498 H2O 1494 H2O H2 3 0.423800 1.0079 0 - 6499 H2O 1495 H2O O1 4 -0.847600 15.9994 0 - 6500 H2O 1495 H2O H1 3 0.423800 1.0079 0 - 6501 H2O 1495 H2O H2 3 0.423800 1.0079 0 - 6502 H2O 1496 H2O O1 4 -0.847600 15.9994 0 - 6503 H2O 1496 H2O H1 3 0.423800 1.0079 0 - 6504 H2O 1496 H2O H2 3 0.423800 1.0079 0 - 6505 H2O 1497 H2O O1 4 -0.847600 15.9994 0 - 6506 H2O 1497 H2O H1 3 0.423800 1.0079 0 - 6507 H2O 1497 H2O H2 3 0.423800 1.0079 0 - 6508 H2O 1498 H2O O1 4 -0.847600 15.9994 0 - 6509 H2O 1498 H2O H1 3 0.423800 1.0079 0 - 6510 H2O 1498 H2O H2 3 0.423800 1.0079 0 - 6511 H2O 1499 H2O O1 4 -0.847600 15.9994 0 - 6512 H2O 1499 H2O H1 3 0.423800 1.0079 0 - 6513 H2O 1499 H2O H2 3 0.423800 1.0079 0 - 6514 H2O 1500 H2O O1 4 -0.847600 15.9994 0 - 6515 H2O 1500 H2O H1 3 0.423800 1.0079 0 - 6516 H2O 1500 H2O H2 3 0.423800 1.0079 0 - 6517 H2O 1501 H2O O1 4 -0.847600 15.9994 0 - 6518 H2O 1501 H2O H1 3 0.423800 1.0079 0 - 6519 H2O 1501 H2O H2 3 0.423800 1.0079 0 - 6520 H2O 1502 H2O O1 4 -0.847600 15.9994 0 - 6521 H2O 1502 H2O H1 3 0.423800 1.0079 0 - 6522 H2O 1502 H2O H2 3 0.423800 1.0079 0 - 6523 H2O 1503 H2O O1 4 -0.847600 15.9994 0 - 6524 H2O 1503 H2O H1 3 0.423800 1.0079 0 - 6525 H2O 1503 H2O H2 3 0.423800 1.0079 0 - 6526 H2O 1504 H2O O1 4 -0.847600 15.9994 0 - 6527 H2O 1504 H2O H1 3 0.423800 1.0079 0 - 6528 H2O 1504 H2O H2 3 0.423800 1.0079 0 - 6529 H2O 1505 H2O O1 4 -0.847600 15.9994 0 - 6530 H2O 1505 H2O H1 3 0.423800 1.0079 0 - 6531 H2O 1505 H2O H2 3 0.423800 1.0079 0 - 6532 H2O 1506 H2O O1 4 -0.847600 15.9994 0 - 6533 H2O 1506 H2O H1 3 0.423800 1.0079 0 - 6534 H2O 1506 H2O H2 3 0.423800 1.0079 0 - 6535 H2O 1507 H2O O1 4 -0.847600 15.9994 0 - 6536 H2O 1507 H2O H1 3 0.423800 1.0079 0 - 6537 H2O 1507 H2O H2 3 0.423800 1.0079 0 - 6538 H2O 1508 H2O O1 4 -0.847600 15.9994 0 - 6539 H2O 1508 H2O H1 3 0.423800 1.0079 0 - 6540 H2O 1508 H2O H2 3 0.423800 1.0079 0 - 6541 H2O 1509 H2O O1 4 -0.847600 15.9994 0 - 6542 H2O 1509 H2O H1 3 0.423800 1.0079 0 - 6543 H2O 1509 H2O H2 3 0.423800 1.0079 0 - 6544 H2O 1510 H2O O1 4 -0.847600 15.9994 0 - 6545 H2O 1510 H2O H1 3 0.423800 1.0079 0 - 6546 H2O 1510 H2O H2 3 0.423800 1.0079 0 - 6547 H2O 1511 H2O O1 4 -0.847600 15.9994 0 - 6548 H2O 1511 H2O H1 3 0.423800 1.0079 0 - 6549 H2O 1511 H2O H2 3 0.423800 1.0079 0 - 6550 H2O 1512 H2O O1 4 -0.847600 15.9994 0 - 6551 H2O 1512 H2O H1 3 0.423800 1.0079 0 - 6552 H2O 1512 H2O H2 3 0.423800 1.0079 0 - 6553 H2O 1513 H2O O1 4 -0.847600 15.9994 0 - 6554 H2O 1513 H2O H1 3 0.423800 1.0079 0 - 6555 H2O 1513 H2O H2 3 0.423800 1.0079 0 - 6556 H2O 1514 H2O O1 4 -0.847600 15.9994 0 - 6557 H2O 1514 H2O H1 3 0.423800 1.0079 0 - 6558 H2O 1514 H2O H2 3 0.423800 1.0079 0 - 6559 H2O 1515 H2O O1 4 -0.847600 15.9994 0 - 6560 H2O 1515 H2O H1 3 0.423800 1.0079 0 - 6561 H2O 1515 H2O H2 3 0.423800 1.0079 0 - 6562 H2O 1516 H2O O1 4 -0.847600 15.9994 0 - 6563 H2O 1516 H2O H1 3 0.423800 1.0079 0 - 6564 H2O 1516 H2O H2 3 0.423800 1.0079 0 - 6565 H2O 1517 H2O O1 4 -0.847600 15.9994 0 - 6566 H2O 1517 H2O H1 3 0.423800 1.0079 0 - 6567 H2O 1517 H2O H2 3 0.423800 1.0079 0 - 6568 H2O 1518 H2O O1 4 -0.847600 15.9994 0 - 6569 H2O 1518 H2O H1 3 0.423800 1.0079 0 - 6570 H2O 1518 H2O H2 3 0.423800 1.0079 0 - 6571 H2O 1519 H2O O1 4 -0.847600 15.9994 0 - 6572 H2O 1519 H2O H1 3 0.423800 1.0079 0 - 6573 H2O 1519 H2O H2 3 0.423800 1.0079 0 - 6574 H2O 1520 H2O O1 4 -0.847600 15.9994 0 - 6575 H2O 1520 H2O H1 3 0.423800 1.0079 0 - 6576 H2O 1520 H2O H2 3 0.423800 1.0079 0 - 6577 H2O 1521 H2O O1 4 -0.847600 15.9994 0 - 6578 H2O 1521 H2O H1 3 0.423800 1.0079 0 - 6579 H2O 1521 H2O H2 3 0.423800 1.0079 0 - 6580 H2O 1522 H2O O1 4 -0.847600 15.9994 0 - 6581 H2O 1522 H2O H1 3 0.423800 1.0079 0 - 6582 H2O 1522 H2O H2 3 0.423800 1.0079 0 - 6583 H2O 1523 H2O O1 4 -0.847600 15.9994 0 - 6584 H2O 1523 H2O H1 3 0.423800 1.0079 0 - 6585 H2O 1523 H2O H2 3 0.423800 1.0079 0 - 6586 H2O 1524 H2O O1 4 -0.847600 15.9994 0 - 6587 H2O 1524 H2O H1 3 0.423800 1.0079 0 - 6588 H2O 1524 H2O H2 3 0.423800 1.0079 0 - 6589 H2O 1525 H2O O1 4 -0.847600 15.9994 0 - 6590 H2O 1525 H2O H1 3 0.423800 1.0079 0 - 6591 H2O 1525 H2O H2 3 0.423800 1.0079 0 - 6592 H2O 1526 H2O O1 4 -0.847600 15.9994 0 - 6593 H2O 1526 H2O H1 3 0.423800 1.0079 0 - 6594 H2O 1526 H2O H2 3 0.423800 1.0079 0 - 6595 H2O 1527 H2O O1 4 -0.847600 15.9994 0 - 6596 H2O 1527 H2O H1 3 0.423800 1.0079 0 - 6597 H2O 1527 H2O H2 3 0.423800 1.0079 0 - 6598 H2O 1528 H2O O1 4 -0.847600 15.9994 0 - 6599 H2O 1528 H2O H1 3 0.423800 1.0079 0 - 6600 H2O 1528 H2O H2 3 0.423800 1.0079 0 - 6601 H2O 1529 H2O O1 4 -0.847600 15.9994 0 - 6602 H2O 1529 H2O H1 3 0.423800 1.0079 0 - 6603 H2O 1529 H2O H2 3 0.423800 1.0079 0 - 6604 H2O 1530 H2O O1 4 -0.847600 15.9994 0 - 6605 H2O 1530 H2O H1 3 0.423800 1.0079 0 - 6606 H2O 1530 H2O H2 3 0.423800 1.0079 0 - 6607 H2O 1531 H2O O1 4 -0.847600 15.9994 0 - 6608 H2O 1531 H2O H1 3 0.423800 1.0079 0 - 6609 H2O 1531 H2O H2 3 0.423800 1.0079 0 - 6610 H2O 1532 H2O O1 4 -0.847600 15.9994 0 - 6611 H2O 1532 H2O H1 3 0.423800 1.0079 0 - 6612 H2O 1532 H2O H2 3 0.423800 1.0079 0 - 6613 H2O 1533 H2O O1 4 -0.847600 15.9994 0 - 6614 H2O 1533 H2O H1 3 0.423800 1.0079 0 - 6615 H2O 1533 H2O H2 3 0.423800 1.0079 0 - 6616 H2O 1534 H2O O1 4 -0.847600 15.9994 0 - 6617 H2O 1534 H2O H1 3 0.423800 1.0079 0 - 6618 H2O 1534 H2O H2 3 0.423800 1.0079 0 - 6619 H2O 1535 H2O O1 4 -0.847600 15.9994 0 - 6620 H2O 1535 H2O H1 3 0.423800 1.0079 0 - 6621 H2O 1535 H2O H2 3 0.423800 1.0079 0 - 6622 H2O 1536 H2O O1 4 -0.847600 15.9994 0 - 6623 H2O 1536 H2O H1 3 0.423800 1.0079 0 - 6624 H2O 1536 H2O H2 3 0.423800 1.0079 0 - 6625 H2O 1537 H2O O1 4 -0.847600 15.9994 0 - 6626 H2O 1537 H2O H1 3 0.423800 1.0079 0 - 6627 H2O 1537 H2O H2 3 0.423800 1.0079 0 - 6628 H2O 1538 H2O O1 4 -0.847600 15.9994 0 - 6629 H2O 1538 H2O H1 3 0.423800 1.0079 0 - 6630 H2O 1538 H2O H2 3 0.423800 1.0079 0 - 6631 H2O 1539 H2O O1 4 -0.847600 15.9994 0 - 6632 H2O 1539 H2O H1 3 0.423800 1.0079 0 - 6633 H2O 1539 H2O H2 3 0.423800 1.0079 0 - 6634 H2O 1540 H2O O1 4 -0.847600 15.9994 0 - 6635 H2O 1540 H2O H1 3 0.423800 1.0079 0 - 6636 H2O 1540 H2O H2 3 0.423800 1.0079 0 - 6637 H2O 1541 H2O O1 4 -0.847600 15.9994 0 - 6638 H2O 1541 H2O H1 3 0.423800 1.0079 0 - 6639 H2O 1541 H2O H2 3 0.423800 1.0079 0 - 6640 H2O 1542 H2O O1 4 -0.847600 15.9994 0 - 6641 H2O 1542 H2O H1 3 0.423800 1.0079 0 - 6642 H2O 1542 H2O H2 3 0.423800 1.0079 0 - 6643 H2O 1543 H2O O1 4 -0.847600 15.9994 0 - 6644 H2O 1543 H2O H1 3 0.423800 1.0079 0 - 6645 H2O 1543 H2O H2 3 0.423800 1.0079 0 - 6646 H2O 1544 H2O O1 4 -0.847600 15.9994 0 - 6647 H2O 1544 H2O H1 3 0.423800 1.0079 0 - 6648 H2O 1544 H2O H2 3 0.423800 1.0079 0 - 6649 H2O 1545 H2O O1 4 -0.847600 15.9994 0 - 6650 H2O 1545 H2O H1 3 0.423800 1.0079 0 - 6651 H2O 1545 H2O H2 3 0.423800 1.0079 0 - 6652 H2O 1546 H2O O1 4 -0.847600 15.9994 0 - 6653 H2O 1546 H2O H1 3 0.423800 1.0079 0 - 6654 H2O 1546 H2O H2 3 0.423800 1.0079 0 - 6655 H2O 1547 H2O O1 4 -0.847600 15.9994 0 - 6656 H2O 1547 H2O H1 3 0.423800 1.0079 0 - 6657 H2O 1547 H2O H2 3 0.423800 1.0079 0 - 6658 H2O 1548 H2O O1 4 -0.847600 15.9994 0 - 6659 H2O 1548 H2O H1 3 0.423800 1.0079 0 - 6660 H2O 1548 H2O H2 3 0.423800 1.0079 0 - 6661 H2O 1549 H2O O1 4 -0.847600 15.9994 0 - 6662 H2O 1549 H2O H1 3 0.423800 1.0079 0 - 6663 H2O 1549 H2O H2 3 0.423800 1.0079 0 - 6664 H2O 1550 H2O O1 4 -0.847600 15.9994 0 - 6665 H2O 1550 H2O H1 3 0.423800 1.0079 0 - 6666 H2O 1550 H2O H2 3 0.423800 1.0079 0 - 6667 H2O 1551 H2O O1 4 -0.847600 15.9994 0 - 6668 H2O 1551 H2O H1 3 0.423800 1.0079 0 - 6669 H2O 1551 H2O H2 3 0.423800 1.0079 0 - 6670 H2O 1552 H2O O1 4 -0.847600 15.9994 0 - 6671 H2O 1552 H2O H1 3 0.423800 1.0079 0 - 6672 H2O 1552 H2O H2 3 0.423800 1.0079 0 - 6673 H2O 1553 H2O O1 4 -0.847600 15.9994 0 - 6674 H2O 1553 H2O H1 3 0.423800 1.0079 0 - 6675 H2O 1553 H2O H2 3 0.423800 1.0079 0 - 6676 H2O 1554 H2O O1 4 -0.847600 15.9994 0 - 6677 H2O 1554 H2O H1 3 0.423800 1.0079 0 - 6678 H2O 1554 H2O H2 3 0.423800 1.0079 0 - 6679 H2O 1555 H2O O1 4 -0.847600 15.9994 0 - 6680 H2O 1555 H2O H1 3 0.423800 1.0079 0 - 6681 H2O 1555 H2O H2 3 0.423800 1.0079 0 - 6682 H2O 1556 H2O O1 4 -0.847600 15.9994 0 - 6683 H2O 1556 H2O H1 3 0.423800 1.0079 0 - 6684 H2O 1556 H2O H2 3 0.423800 1.0079 0 - 6685 H2O 1557 H2O O1 4 -0.847600 15.9994 0 - 6686 H2O 1557 H2O H1 3 0.423800 1.0079 0 - 6687 H2O 1557 H2O H2 3 0.423800 1.0079 0 - 6688 H2O 1558 H2O O1 4 -0.847600 15.9994 0 - 6689 H2O 1558 H2O H1 3 0.423800 1.0079 0 - 6690 H2O 1558 H2O H2 3 0.423800 1.0079 0 - 6691 H2O 1559 H2O O1 4 -0.847600 15.9994 0 - 6692 H2O 1559 H2O H1 3 0.423800 1.0079 0 - 6693 H2O 1559 H2O H2 3 0.423800 1.0079 0 - 6694 H2O 1560 H2O O1 4 -0.847600 15.9994 0 - 6695 H2O 1560 H2O H1 3 0.423800 1.0079 0 - 6696 H2O 1560 H2O H2 3 0.423800 1.0079 0 - 6697 H2O 1561 H2O O1 4 -0.847600 15.9994 0 - 6698 H2O 1561 H2O H1 3 0.423800 1.0079 0 - 6699 H2O 1561 H2O H2 3 0.423800 1.0079 0 - 6700 H2O 1562 H2O O1 4 -0.847600 15.9994 0 - 6701 H2O 1562 H2O H1 3 0.423800 1.0079 0 - 6702 H2O 1562 H2O H2 3 0.423800 1.0079 0 - 6703 H2O 1563 H2O O1 4 -0.847600 15.9994 0 - 6704 H2O 1563 H2O H1 3 0.423800 1.0079 0 - 6705 H2O 1563 H2O H2 3 0.423800 1.0079 0 - 6706 H2O 1564 H2O O1 4 -0.847600 15.9994 0 - 6707 H2O 1564 H2O H1 3 0.423800 1.0079 0 - 6708 H2O 1564 H2O H2 3 0.423800 1.0079 0 - 6709 H2O 1565 H2O O1 4 -0.847600 15.9994 0 - 6710 H2O 1565 H2O H1 3 0.423800 1.0079 0 - 6711 H2O 1565 H2O H2 3 0.423800 1.0079 0 - 6712 H2O 1566 H2O O1 4 -0.847600 15.9994 0 - 6713 H2O 1566 H2O H1 3 0.423800 1.0079 0 - 6714 H2O 1566 H2O H2 3 0.423800 1.0079 0 - 6715 H2O 1567 H2O O1 4 -0.847600 15.9994 0 - 6716 H2O 1567 H2O H1 3 0.423800 1.0079 0 - 6717 H2O 1567 H2O H2 3 0.423800 1.0079 0 - 6718 H2O 1568 H2O O1 4 -0.847600 15.9994 0 - 6719 H2O 1568 H2O H1 3 0.423800 1.0079 0 - 6720 H2O 1568 H2O H2 3 0.423800 1.0079 0 - 6721 H2O 1569 H2O O1 4 -0.847600 15.9994 0 - 6722 H2O 1569 H2O H1 3 0.423800 1.0079 0 - 6723 H2O 1569 H2O H2 3 0.423800 1.0079 0 - 6724 H2O 1570 H2O O1 4 -0.847600 15.9994 0 - 6725 H2O 1570 H2O H1 3 0.423800 1.0079 0 - 6726 H2O 1570 H2O H2 3 0.423800 1.0079 0 - 6727 H2O 1571 H2O O1 4 -0.847600 15.9994 0 - 6728 H2O 1571 H2O H1 3 0.423800 1.0079 0 - 6729 H2O 1571 H2O H2 3 0.423800 1.0079 0 - 6730 H2O 1572 H2O O1 4 -0.847600 15.9994 0 - 6731 H2O 1572 H2O H1 3 0.423800 1.0079 0 - 6732 H2O 1572 H2O H2 3 0.423800 1.0079 0 - 6733 H2O 1573 H2O O1 4 -0.847600 15.9994 0 - 6734 H2O 1573 H2O H1 3 0.423800 1.0079 0 - 6735 H2O 1573 H2O H2 3 0.423800 1.0079 0 - 6736 H2O 1574 H2O O1 4 -0.847600 15.9994 0 - 6737 H2O 1574 H2O H1 3 0.423800 1.0079 0 - 6738 H2O 1574 H2O H2 3 0.423800 1.0079 0 - 6739 H2O 1575 H2O O1 4 -0.847600 15.9994 0 - 6740 H2O 1575 H2O H1 3 0.423800 1.0079 0 - 6741 H2O 1575 H2O H2 3 0.423800 1.0079 0 - 6742 H2O 1576 H2O O1 4 -0.847600 15.9994 0 - 6743 H2O 1576 H2O H1 3 0.423800 1.0079 0 - 6744 H2O 1576 H2O H2 3 0.423800 1.0079 0 - 6745 H2O 1577 H2O O1 4 -0.847600 15.9994 0 - 6746 H2O 1577 H2O H1 3 0.423800 1.0079 0 - 6747 H2O 1577 H2O H2 3 0.423800 1.0079 0 - 6748 H2O 1578 H2O O1 4 -0.847600 15.9994 0 - 6749 H2O 1578 H2O H1 3 0.423800 1.0079 0 - 6750 H2O 1578 H2O H2 3 0.423800 1.0079 0 - 6751 H2O 1579 H2O O1 4 -0.847600 15.9994 0 - 6752 H2O 1579 H2O H1 3 0.423800 1.0079 0 - 6753 H2O 1579 H2O H2 3 0.423800 1.0079 0 - 6754 H2O 1580 H2O O1 4 -0.847600 15.9994 0 - 6755 H2O 1580 H2O H1 3 0.423800 1.0079 0 - 6756 H2O 1580 H2O H2 3 0.423800 1.0079 0 - 6757 H2O 1581 H2O O1 4 -0.847600 15.9994 0 - 6758 H2O 1581 H2O H1 3 0.423800 1.0079 0 - 6759 H2O 1581 H2O H2 3 0.423800 1.0079 0 - 6760 H2O 1582 H2O O1 4 -0.847600 15.9994 0 - 6761 H2O 1582 H2O H1 3 0.423800 1.0079 0 - 6762 H2O 1582 H2O H2 3 0.423800 1.0079 0 - 6763 H2O 1583 H2O O1 4 -0.847600 15.9994 0 - 6764 H2O 1583 H2O H1 3 0.423800 1.0079 0 - 6765 H2O 1583 H2O H2 3 0.423800 1.0079 0 - 6766 H2O 1584 H2O O1 4 -0.847600 15.9994 0 - 6767 H2O 1584 H2O H1 3 0.423800 1.0079 0 - 6768 H2O 1584 H2O H2 3 0.423800 1.0079 0 - 6769 H2O 1585 H2O O1 4 -0.847600 15.9994 0 - 6770 H2O 1585 H2O H1 3 0.423800 1.0079 0 - 6771 H2O 1585 H2O H2 3 0.423800 1.0079 0 - 6772 H2O 1586 H2O O1 4 -0.847600 15.9994 0 - 6773 H2O 1586 H2O H1 3 0.423800 1.0079 0 - 6774 H2O 1586 H2O H2 3 0.423800 1.0079 0 - 6775 H2O 1587 H2O O1 4 -0.847600 15.9994 0 - 6776 H2O 1587 H2O H1 3 0.423800 1.0079 0 - 6777 H2O 1587 H2O H2 3 0.423800 1.0079 0 - 6778 H2O 1588 H2O O1 4 -0.847600 15.9994 0 - 6779 H2O 1588 H2O H1 3 0.423800 1.0079 0 - 6780 H2O 1588 H2O H2 3 0.423800 1.0079 0 - 6781 H2O 1589 H2O O1 4 -0.847600 15.9994 0 - 6782 H2O 1589 H2O H1 3 0.423800 1.0079 0 - 6783 H2O 1589 H2O H2 3 0.423800 1.0079 0 - 6784 H2O 1590 H2O O1 4 -0.847600 15.9994 0 - 6785 H2O 1590 H2O H1 3 0.423800 1.0079 0 - 6786 H2O 1590 H2O H2 3 0.423800 1.0079 0 - 6787 H2O 1591 H2O O1 4 -0.847600 15.9994 0 - 6788 H2O 1591 H2O H1 3 0.423800 1.0079 0 - 6789 H2O 1591 H2O H2 3 0.423800 1.0079 0 - 6790 H2O 1592 H2O O1 4 -0.847600 15.9994 0 - 6791 H2O 1592 H2O H1 3 0.423800 1.0079 0 - 6792 H2O 1592 H2O H2 3 0.423800 1.0079 0 - 6793 H2O 1593 H2O O1 4 -0.847600 15.9994 0 - 6794 H2O 1593 H2O H1 3 0.423800 1.0079 0 - 6795 H2O 1593 H2O H2 3 0.423800 1.0079 0 - 6796 H2O 1594 H2O O1 4 -0.847600 15.9994 0 - 6797 H2O 1594 H2O H1 3 0.423800 1.0079 0 - 6798 H2O 1594 H2O H2 3 0.423800 1.0079 0 - 6799 H2O 1595 H2O O1 4 -0.847600 15.9994 0 - 6800 H2O 1595 H2O H1 3 0.423800 1.0079 0 - 6801 H2O 1595 H2O H2 3 0.423800 1.0079 0 - 6802 H2O 1596 H2O O1 4 -0.847600 15.9994 0 - 6803 H2O 1596 H2O H1 3 0.423800 1.0079 0 - 6804 H2O 1596 H2O H2 3 0.423800 1.0079 0 - 6805 H2O 1597 H2O O1 4 -0.847600 15.9994 0 - 6806 H2O 1597 H2O H1 3 0.423800 1.0079 0 - 6807 H2O 1597 H2O H2 3 0.423800 1.0079 0 - 6808 H2O 1598 H2O O1 4 -0.847600 15.9994 0 - 6809 H2O 1598 H2O H1 3 0.423800 1.0079 0 - 6810 H2O 1598 H2O H2 3 0.423800 1.0079 0 - 6811 H2O 1599 H2O O1 4 -0.847600 15.9994 0 - 6812 H2O 1599 H2O H1 3 0.423800 1.0079 0 - 6813 H2O 1599 H2O H2 3 0.423800 1.0079 0 - 6814 H2O 1600 H2O O1 4 -0.847600 15.9994 0 - 6815 H2O 1600 H2O H1 3 0.423800 1.0079 0 - 6816 H2O 1600 H2O H2 3 0.423800 1.0079 0 - 6817 H2O 1601 H2O O1 4 -0.847600 15.9994 0 - 6818 H2O 1601 H2O H1 3 0.423800 1.0079 0 - 6819 H2O 1601 H2O H2 3 0.423800 1.0079 0 - 6820 H2O 1602 H2O O1 4 -0.847600 15.9994 0 - 6821 H2O 1602 H2O H1 3 0.423800 1.0079 0 - 6822 H2O 1602 H2O H2 3 0.423800 1.0079 0 - 6823 H2O 1603 H2O O1 4 -0.847600 15.9994 0 - 6824 H2O 1603 H2O H1 3 0.423800 1.0079 0 - 6825 H2O 1603 H2O H2 3 0.423800 1.0079 0 - 6826 H2O 1604 H2O O1 4 -0.847600 15.9994 0 - 6827 H2O 1604 H2O H1 3 0.423800 1.0079 0 - 6828 H2O 1604 H2O H2 3 0.423800 1.0079 0 - 6829 H2O 1605 H2O O1 4 -0.847600 15.9994 0 - 6830 H2O 1605 H2O H1 3 0.423800 1.0079 0 - 6831 H2O 1605 H2O H2 3 0.423800 1.0079 0 - 6832 H2O 1606 H2O O1 4 -0.847600 15.9994 0 - 6833 H2O 1606 H2O H1 3 0.423800 1.0079 0 - 6834 H2O 1606 H2O H2 3 0.423800 1.0079 0 - 6835 H2O 1607 H2O O1 4 -0.847600 15.9994 0 - 6836 H2O 1607 H2O H1 3 0.423800 1.0079 0 - 6837 H2O 1607 H2O H2 3 0.423800 1.0079 0 - 6838 H2O 1608 H2O O1 4 -0.847600 15.9994 0 - 6839 H2O 1608 H2O H1 3 0.423800 1.0079 0 - 6840 H2O 1608 H2O H2 3 0.423800 1.0079 0 - 6841 H2O 1609 H2O O1 4 -0.847600 15.9994 0 - 6842 H2O 1609 H2O H1 3 0.423800 1.0079 0 - 6843 H2O 1609 H2O H2 3 0.423800 1.0079 0 - 6844 H2O 1610 H2O O1 4 -0.847600 15.9994 0 - 6845 H2O 1610 H2O H1 3 0.423800 1.0079 0 - 6846 H2O 1610 H2O H2 3 0.423800 1.0079 0 - 6847 H2O 1611 H2O O1 4 -0.847600 15.9994 0 - 6848 H2O 1611 H2O H1 3 0.423800 1.0079 0 - 6849 H2O 1611 H2O H2 3 0.423800 1.0079 0 - 6850 H2O 1612 H2O O1 4 -0.847600 15.9994 0 - 6851 H2O 1612 H2O H1 3 0.423800 1.0079 0 - 6852 H2O 1612 H2O H2 3 0.423800 1.0079 0 - 6853 H2O 1613 H2O O1 4 -0.847600 15.9994 0 - 6854 H2O 1613 H2O H1 3 0.423800 1.0079 0 - 6855 H2O 1613 H2O H2 3 0.423800 1.0079 0 - 6856 H2O 1614 H2O O1 4 -0.847600 15.9994 0 - 6857 H2O 1614 H2O H1 3 0.423800 1.0079 0 - 6858 H2O 1614 H2O H2 3 0.423800 1.0079 0 - 6859 H2O 1615 H2O O1 4 -0.847600 15.9994 0 - 6860 H2O 1615 H2O H1 3 0.423800 1.0079 0 - 6861 H2O 1615 H2O H2 3 0.423800 1.0079 0 - 6862 H2O 1616 H2O O1 4 -0.847600 15.9994 0 - 6863 H2O 1616 H2O H1 3 0.423800 1.0079 0 - 6864 H2O 1616 H2O H2 3 0.423800 1.0079 0 - 6865 H2O 1617 H2O O1 4 -0.847600 15.9994 0 - 6866 H2O 1617 H2O H1 3 0.423800 1.0079 0 - 6867 H2O 1617 H2O H2 3 0.423800 1.0079 0 - 6868 H2O 1618 H2O O1 4 -0.847600 15.9994 0 - 6869 H2O 1618 H2O H1 3 0.423800 1.0079 0 - 6870 H2O 1618 H2O H2 3 0.423800 1.0079 0 - 6871 H2O 1619 H2O O1 4 -0.847600 15.9994 0 - 6872 H2O 1619 H2O H1 3 0.423800 1.0079 0 - 6873 H2O 1619 H2O H2 3 0.423800 1.0079 0 - 6874 H2O 1620 H2O O1 4 -0.847600 15.9994 0 - 6875 H2O 1620 H2O H1 3 0.423800 1.0079 0 - 6876 H2O 1620 H2O H2 3 0.423800 1.0079 0 - 6877 H2O 1621 H2O O1 4 -0.847600 15.9994 0 - 6878 H2O 1621 H2O H1 3 0.423800 1.0079 0 - 6879 H2O 1621 H2O H2 3 0.423800 1.0079 0 - 6880 H2O 1622 H2O O1 4 -0.847600 15.9994 0 - 6881 H2O 1622 H2O H1 3 0.423800 1.0079 0 - 6882 H2O 1622 H2O H2 3 0.423800 1.0079 0 - 6883 H2O 1623 H2O O1 4 -0.847600 15.9994 0 - 6884 H2O 1623 H2O H1 3 0.423800 1.0079 0 - 6885 H2O 1623 H2O H2 3 0.423800 1.0079 0 - 6886 H2O 1624 H2O O1 4 -0.847600 15.9994 0 - 6887 H2O 1624 H2O H1 3 0.423800 1.0079 0 - 6888 H2O 1624 H2O H2 3 0.423800 1.0079 0 - 6889 H2O 1625 H2O O1 4 -0.847600 15.9994 0 - 6890 H2O 1625 H2O H1 3 0.423800 1.0079 0 - 6891 H2O 1625 H2O H2 3 0.423800 1.0079 0 - 6892 H2O 1626 H2O O1 4 -0.847600 15.9994 0 - 6893 H2O 1626 H2O H1 3 0.423800 1.0079 0 - 6894 H2O 1626 H2O H2 3 0.423800 1.0079 0 - 6895 H2O 1627 H2O O1 4 -0.847600 15.9994 0 - 6896 H2O 1627 H2O H1 3 0.423800 1.0079 0 - 6897 H2O 1627 H2O H2 3 0.423800 1.0079 0 - 6898 H2O 1628 H2O O1 4 -0.847600 15.9994 0 - 6899 H2O 1628 H2O H1 3 0.423800 1.0079 0 - 6900 H2O 1628 H2O H2 3 0.423800 1.0079 0 - 6901 H2O 1629 H2O O1 4 -0.847600 15.9994 0 - 6902 H2O 1629 H2O H1 3 0.423800 1.0079 0 - 6903 H2O 1629 H2O H2 3 0.423800 1.0079 0 - 6904 H2O 1630 H2O O1 4 -0.847600 15.9994 0 - 6905 H2O 1630 H2O H1 3 0.423800 1.0079 0 - 6906 H2O 1630 H2O H2 3 0.423800 1.0079 0 - 6907 H2O 1631 H2O O1 4 -0.847600 15.9994 0 - 6908 H2O 1631 H2O H1 3 0.423800 1.0079 0 - 6909 H2O 1631 H2O H2 3 0.423800 1.0079 0 - 6910 H2O 1632 H2O O1 4 -0.847600 15.9994 0 - 6911 H2O 1632 H2O H1 3 0.423800 1.0079 0 - 6912 H2O 1632 H2O H2 3 0.423800 1.0079 0 - 6913 H2O 1633 H2O O1 4 -0.847600 15.9994 0 - 6914 H2O 1633 H2O H1 3 0.423800 1.0079 0 - 6915 H2O 1633 H2O H2 3 0.423800 1.0079 0 - 6916 H2O 1634 H2O O1 4 -0.847600 15.9994 0 - 6917 H2O 1634 H2O H1 3 0.423800 1.0079 0 - 6918 H2O 1634 H2O H2 3 0.423800 1.0079 0 - 6919 H2O 1635 H2O O1 4 -0.847600 15.9994 0 - 6920 H2O 1635 H2O H1 3 0.423800 1.0079 0 - 6921 H2O 1635 H2O H2 3 0.423800 1.0079 0 - 6922 H2O 1636 H2O O1 4 -0.847600 15.9994 0 - 6923 H2O 1636 H2O H1 3 0.423800 1.0079 0 - 6924 H2O 1636 H2O H2 3 0.423800 1.0079 0 - 6925 H2O 1637 H2O O1 4 -0.847600 15.9994 0 - 6926 H2O 1637 H2O H1 3 0.423800 1.0079 0 - 6927 H2O 1637 H2O H2 3 0.423800 1.0079 0 - 6928 H2O 1638 H2O O1 4 -0.847600 15.9994 0 - 6929 H2O 1638 H2O H1 3 0.423800 1.0079 0 - 6930 H2O 1638 H2O H2 3 0.423800 1.0079 0 - 6931 H2O 1639 H2O O1 4 -0.847600 15.9994 0 - 6932 H2O 1639 H2O H1 3 0.423800 1.0079 0 - 6933 H2O 1639 H2O H2 3 0.423800 1.0079 0 - 6934 H2O 1640 H2O O1 4 -0.847600 15.9994 0 - 6935 H2O 1640 H2O H1 3 0.423800 1.0079 0 - 6936 H2O 1640 H2O H2 3 0.423800 1.0079 0 - 6937 H2O 1641 H2O O1 4 -0.847600 15.9994 0 - 6938 H2O 1641 H2O H1 3 0.423800 1.0079 0 - 6939 H2O 1641 H2O H2 3 0.423800 1.0079 0 - 6940 H2O 1642 H2O O1 4 -0.847600 15.9994 0 - 6941 H2O 1642 H2O H1 3 0.423800 1.0079 0 - 6942 H2O 1642 H2O H2 3 0.423800 1.0079 0 - 6943 H2O 1643 H2O O1 4 -0.847600 15.9994 0 - 6944 H2O 1643 H2O H1 3 0.423800 1.0079 0 - 6945 H2O 1643 H2O H2 3 0.423800 1.0079 0 - 6946 H2O 1644 H2O O1 4 -0.847600 15.9994 0 - 6947 H2O 1644 H2O H1 3 0.423800 1.0079 0 - 6948 H2O 1644 H2O H2 3 0.423800 1.0079 0 - 6949 H2O 1645 H2O O1 4 -0.847600 15.9994 0 - 6950 H2O 1645 H2O H1 3 0.423800 1.0079 0 - 6951 H2O 1645 H2O H2 3 0.423800 1.0079 0 - 6952 H2O 1646 H2O O1 4 -0.847600 15.9994 0 - 6953 H2O 1646 H2O H1 3 0.423800 1.0079 0 - 6954 H2O 1646 H2O H2 3 0.423800 1.0079 0 - 6955 H2O 1647 H2O O1 4 -0.847600 15.9994 0 - 6956 H2O 1647 H2O H1 3 0.423800 1.0079 0 - 6957 H2O 1647 H2O H2 3 0.423800 1.0079 0 - 6958 H2O 1648 H2O O1 4 -0.847600 15.9994 0 - 6959 H2O 1648 H2O H1 3 0.423800 1.0079 0 - 6960 H2O 1648 H2O H2 3 0.423800 1.0079 0 - 6961 H2O 1649 H2O O1 4 -0.847600 15.9994 0 - 6962 H2O 1649 H2O H1 3 0.423800 1.0079 0 - 6963 H2O 1649 H2O H2 3 0.423800 1.0079 0 - 6964 H2O 1650 H2O O1 4 -0.847600 15.9994 0 - 6965 H2O 1650 H2O H1 3 0.423800 1.0079 0 - 6966 H2O 1650 H2O H2 3 0.423800 1.0079 0 - 6967 H2O 1651 H2O O1 4 -0.847600 15.9994 0 - 6968 H2O 1651 H2O H1 3 0.423800 1.0079 0 - 6969 H2O 1651 H2O H2 3 0.423800 1.0079 0 - 6970 H2O 1652 H2O O1 4 -0.847600 15.9994 0 - 6971 H2O 1652 H2O H1 3 0.423800 1.0079 0 - 6972 H2O 1652 H2O H2 3 0.423800 1.0079 0 - 6973 H2O 1653 H2O O1 4 -0.847600 15.9994 0 - 6974 H2O 1653 H2O H1 3 0.423800 1.0079 0 - 6975 H2O 1653 H2O H2 3 0.423800 1.0079 0 - 6976 H2O 1654 H2O O1 4 -0.847600 15.9994 0 - 6977 H2O 1654 H2O H1 3 0.423800 1.0079 0 - 6978 H2O 1654 H2O H2 3 0.423800 1.0079 0 - 6979 H2O 1655 H2O O1 4 -0.847600 15.9994 0 - 6980 H2O 1655 H2O H1 3 0.423800 1.0079 0 - 6981 H2O 1655 H2O H2 3 0.423800 1.0079 0 - 6982 H2O 1656 H2O O1 4 -0.847600 15.9994 0 - 6983 H2O 1656 H2O H1 3 0.423800 1.0079 0 - 6984 H2O 1656 H2O H2 3 0.423800 1.0079 0 - 6985 H2O 1657 H2O O1 4 -0.847600 15.9994 0 - 6986 H2O 1657 H2O H1 3 0.423800 1.0079 0 - 6987 H2O 1657 H2O H2 3 0.423800 1.0079 0 - 6988 H2O 1658 H2O O1 4 -0.847600 15.9994 0 - 6989 H2O 1658 H2O H1 3 0.423800 1.0079 0 - 6990 H2O 1658 H2O H2 3 0.423800 1.0079 0 - 6991 H2O 1659 H2O O1 4 -0.847600 15.9994 0 - 6992 H2O 1659 H2O H1 3 0.423800 1.0079 0 - 6993 H2O 1659 H2O H2 3 0.423800 1.0079 0 - 6994 H2O 1660 H2O O1 4 -0.847600 15.9994 0 - 6995 H2O 1660 H2O H1 3 0.423800 1.0079 0 - 6996 H2O 1660 H2O H2 3 0.423800 1.0079 0 - 6997 H2O 1661 H2O O1 4 -0.847600 15.9994 0 - 6998 H2O 1661 H2O H1 3 0.423800 1.0079 0 - 6999 H2O 1661 H2O H2 3 0.423800 1.0079 0 - 7000 H2O 1662 H2O O1 4 -0.847600 15.9994 0 - 7001 H2O 1662 H2O H1 3 0.423800 1.0079 0 - 7002 H2O 1662 H2O H2 3 0.423800 1.0079 0 - 7003 H2O 1663 H2O O1 4 -0.847600 15.9994 0 - 7004 H2O 1663 H2O H1 3 0.423800 1.0079 0 - 7005 H2O 1663 H2O H2 3 0.423800 1.0079 0 - 7006 H2O 1664 H2O O1 4 -0.847600 15.9994 0 - 7007 H2O 1664 H2O H1 3 0.423800 1.0079 0 - 7008 H2O 1664 H2O H2 3 0.423800 1.0079 0 - 7009 H2O 1665 H2O O1 4 -0.847600 15.9994 0 - 7010 H2O 1665 H2O H1 3 0.423800 1.0079 0 - 7011 H2O 1665 H2O H2 3 0.423800 1.0079 0 - 7012 H2O 1666 H2O O1 4 -0.847600 15.9994 0 - 7013 H2O 1666 H2O H1 3 0.423800 1.0079 0 - 7014 H2O 1666 H2O H2 3 0.423800 1.0079 0 - 7015 H2O 1667 H2O O1 4 -0.847600 15.9994 0 - 7016 H2O 1667 H2O H1 3 0.423800 1.0079 0 - 7017 H2O 1667 H2O H2 3 0.423800 1.0079 0 - 7018 H2O 1668 H2O O1 4 -0.847600 15.9994 0 - 7019 H2O 1668 H2O H1 3 0.423800 1.0079 0 - 7020 H2O 1668 H2O H2 3 0.423800 1.0079 0 - 7021 H2O 1669 H2O O1 4 -0.847600 15.9994 0 - 7022 H2O 1669 H2O H1 3 0.423800 1.0079 0 - 7023 H2O 1669 H2O H2 3 0.423800 1.0079 0 - 7024 H2O 1670 H2O O1 4 -0.847600 15.9994 0 - 7025 H2O 1670 H2O H1 3 0.423800 1.0079 0 - 7026 H2O 1670 H2O H2 3 0.423800 1.0079 0 - 7027 H2O 1671 H2O O1 4 -0.847600 15.9994 0 - 7028 H2O 1671 H2O H1 3 0.423800 1.0079 0 - 7029 H2O 1671 H2O H2 3 0.423800 1.0079 0 - 7030 H2O 1672 H2O O1 4 -0.847600 15.9994 0 - 7031 H2O 1672 H2O H1 3 0.423800 1.0079 0 - 7032 H2O 1672 H2O H2 3 0.423800 1.0079 0 - 7033 H2O 1673 H2O O1 4 -0.847600 15.9994 0 - 7034 H2O 1673 H2O H1 3 0.423800 1.0079 0 - 7035 H2O 1673 H2O H2 3 0.423800 1.0079 0 - 7036 H2O 1674 H2O O1 4 -0.847600 15.9994 0 - 7037 H2O 1674 H2O H1 3 0.423800 1.0079 0 - 7038 H2O 1674 H2O H2 3 0.423800 1.0079 0 - 7039 H2O 1675 H2O O1 4 -0.847600 15.9994 0 - 7040 H2O 1675 H2O H1 3 0.423800 1.0079 0 - 7041 H2O 1675 H2O H2 3 0.423800 1.0079 0 - 7042 H2O 1676 H2O O1 4 -0.847600 15.9994 0 - 7043 H2O 1676 H2O H1 3 0.423800 1.0079 0 - 7044 H2O 1676 H2O H2 3 0.423800 1.0079 0 - 7045 H2O 1677 H2O O1 4 -0.847600 15.9994 0 - 7046 H2O 1677 H2O H1 3 0.423800 1.0079 0 - 7047 H2O 1677 H2O H2 3 0.423800 1.0079 0 - 7048 H2O 1678 H2O O1 4 -0.847600 15.9994 0 - 7049 H2O 1678 H2O H1 3 0.423800 1.0079 0 - 7050 H2O 1678 H2O H2 3 0.423800 1.0079 0 - 7051 H2O 1679 H2O O1 4 -0.847600 15.9994 0 - 7052 H2O 1679 H2O H1 3 0.423800 1.0079 0 - 7053 H2O 1679 H2O H2 3 0.423800 1.0079 0 - 7054 H2O 1680 H2O O1 4 -0.847600 15.9994 0 - 7055 H2O 1680 H2O H1 3 0.423800 1.0079 0 - 7056 H2O 1680 H2O H2 3 0.423800 1.0079 0 - 7057 H2O 1681 H2O O1 4 -0.847600 15.9994 0 - 7058 H2O 1681 H2O H1 3 0.423800 1.0079 0 - 7059 H2O 1681 H2O H2 3 0.423800 1.0079 0 - 7060 H2O 1682 H2O O1 4 -0.847600 15.9994 0 - 7061 H2O 1682 H2O H1 3 0.423800 1.0079 0 - 7062 H2O 1682 H2O H2 3 0.423800 1.0079 0 - 7063 H2O 1683 H2O O1 4 -0.847600 15.9994 0 - 7064 H2O 1683 H2O H1 3 0.423800 1.0079 0 - 7065 H2O 1683 H2O H2 3 0.423800 1.0079 0 - 7066 H2O 1684 H2O O1 4 -0.847600 15.9994 0 - 7067 H2O 1684 H2O H1 3 0.423800 1.0079 0 - 7068 H2O 1684 H2O H2 3 0.423800 1.0079 0 - 7069 H2O 1685 H2O O1 4 -0.847600 15.9994 0 - 7070 H2O 1685 H2O H1 3 0.423800 1.0079 0 - 7071 H2O 1685 H2O H2 3 0.423800 1.0079 0 - 7072 H2O 1686 H2O O1 4 -0.847600 15.9994 0 - 7073 H2O 1686 H2O H1 3 0.423800 1.0079 0 - 7074 H2O 1686 H2O H2 3 0.423800 1.0079 0 - 7075 H2O 1687 H2O O1 4 -0.847600 15.9994 0 - 7076 H2O 1687 H2O H1 3 0.423800 1.0079 0 - 7077 H2O 1687 H2O H2 3 0.423800 1.0079 0 - 7078 H2O 1688 H2O O1 4 -0.847600 15.9994 0 - 7079 H2O 1688 H2O H1 3 0.423800 1.0079 0 - 7080 H2O 1688 H2O H2 3 0.423800 1.0079 0 - 7081 H2O 1689 H2O O1 4 -0.847600 15.9994 0 - 7082 H2O 1689 H2O H1 3 0.423800 1.0079 0 - 7083 H2O 1689 H2O H2 3 0.423800 1.0079 0 - 7084 H2O 1690 H2O O1 4 -0.847600 15.9994 0 - 7085 H2O 1690 H2O H1 3 0.423800 1.0079 0 - 7086 H2O 1690 H2O H2 3 0.423800 1.0079 0 - 7087 H2O 1691 H2O O1 4 -0.847600 15.9994 0 - 7088 H2O 1691 H2O H1 3 0.423800 1.0079 0 - 7089 H2O 1691 H2O H2 3 0.423800 1.0079 0 - 7090 H2O 1692 H2O O1 4 -0.847600 15.9994 0 - 7091 H2O 1692 H2O H1 3 0.423800 1.0079 0 - 7092 H2O 1692 H2O H2 3 0.423800 1.0079 0 - 7093 H2O 1693 H2O O1 4 -0.847600 15.9994 0 - 7094 H2O 1693 H2O H1 3 0.423800 1.0079 0 - 7095 H2O 1693 H2O H2 3 0.423800 1.0079 0 - 7096 H2O 1694 H2O O1 4 -0.847600 15.9994 0 - 7097 H2O 1694 H2O H1 3 0.423800 1.0079 0 - 7098 H2O 1694 H2O H2 3 0.423800 1.0079 0 - 7099 H2O 1695 H2O O1 4 -0.847600 15.9994 0 - 7100 H2O 1695 H2O H1 3 0.423800 1.0079 0 - 7101 H2O 1695 H2O H2 3 0.423800 1.0079 0 - 7102 H2O 1696 H2O O1 4 -0.847600 15.9994 0 - 7103 H2O 1696 H2O H1 3 0.423800 1.0079 0 - 7104 H2O 1696 H2O H2 3 0.423800 1.0079 0 - 7105 H2O 1697 H2O O1 4 -0.847600 15.9994 0 - 7106 H2O 1697 H2O H1 3 0.423800 1.0079 0 - 7107 H2O 1697 H2O H2 3 0.423800 1.0079 0 - 7108 H2O 1698 H2O O1 4 -0.847600 15.9994 0 - 7109 H2O 1698 H2O H1 3 0.423800 1.0079 0 - 7110 H2O 1698 H2O H2 3 0.423800 1.0079 0 - 7111 H2O 1699 H2O O1 4 -0.847600 15.9994 0 - 7112 H2O 1699 H2O H1 3 0.423800 1.0079 0 - 7113 H2O 1699 H2O H2 3 0.423800 1.0079 0 - 7114 H2O 1700 H2O O1 4 -0.847600 15.9994 0 - 7115 H2O 1700 H2O H1 3 0.423800 1.0079 0 - 7116 H2O 1700 H2O H2 3 0.423800 1.0079 0 - 7117 H2O 1701 H2O O1 4 -0.847600 15.9994 0 - 7118 H2O 1701 H2O H1 3 0.423800 1.0079 0 - 7119 H2O 1701 H2O H2 3 0.423800 1.0079 0 - 7120 H2O 1702 H2O O1 4 -0.847600 15.9994 0 - 7121 H2O 1702 H2O H1 3 0.423800 1.0079 0 - 7122 H2O 1702 H2O H2 3 0.423800 1.0079 0 - 7123 H2O 1703 H2O O1 4 -0.847600 15.9994 0 - 7124 H2O 1703 H2O H1 3 0.423800 1.0079 0 - 7125 H2O 1703 H2O H2 3 0.423800 1.0079 0 - 7126 H2O 1704 H2O O1 4 -0.847600 15.9994 0 - 7127 H2O 1704 H2O H1 3 0.423800 1.0079 0 - 7128 H2O 1704 H2O H2 3 0.423800 1.0079 0 - 7129 H2O 1705 H2O O1 4 -0.847600 15.9994 0 - 7130 H2O 1705 H2O H1 3 0.423800 1.0079 0 - 7131 H2O 1705 H2O H2 3 0.423800 1.0079 0 - 7132 H2O 1706 H2O O1 4 -0.847600 15.9994 0 - 7133 H2O 1706 H2O H1 3 0.423800 1.0079 0 - 7134 H2O 1706 H2O H2 3 0.423800 1.0079 0 - 7135 H2O 1707 H2O O1 4 -0.847600 15.9994 0 - 7136 H2O 1707 H2O H1 3 0.423800 1.0079 0 - 7137 H2O 1707 H2O H2 3 0.423800 1.0079 0 - 7138 H2O 1708 H2O O1 4 -0.847600 15.9994 0 - 7139 H2O 1708 H2O H1 3 0.423800 1.0079 0 - 7140 H2O 1708 H2O H2 3 0.423800 1.0079 0 - 7141 H2O 1709 H2O O1 4 -0.847600 15.9994 0 - 7142 H2O 1709 H2O H1 3 0.423800 1.0079 0 - 7143 H2O 1709 H2O H2 3 0.423800 1.0079 0 - 7144 H2O 1710 H2O O1 4 -0.847600 15.9994 0 - 7145 H2O 1710 H2O H1 3 0.423800 1.0079 0 - 7146 H2O 1710 H2O H2 3 0.423800 1.0079 0 - 7147 H2O 1711 H2O O1 4 -0.847600 15.9994 0 - 7148 H2O 1711 H2O H1 3 0.423800 1.0079 0 - 7149 H2O 1711 H2O H2 3 0.423800 1.0079 0 - 7150 H2O 1712 H2O O1 4 -0.847600 15.9994 0 - 7151 H2O 1712 H2O H1 3 0.423800 1.0079 0 - 7152 H2O 1712 H2O H2 3 0.423800 1.0079 0 - 7153 H2O 1713 H2O O1 4 -0.847600 15.9994 0 - 7154 H2O 1713 H2O H1 3 0.423800 1.0079 0 - 7155 H2O 1713 H2O H2 3 0.423800 1.0079 0 - 7156 H2O 1714 H2O O1 4 -0.847600 15.9994 0 - 7157 H2O 1714 H2O H1 3 0.423800 1.0079 0 - 7158 H2O 1714 H2O H2 3 0.423800 1.0079 0 - 7159 H2O 1715 H2O O1 4 -0.847600 15.9994 0 - 7160 H2O 1715 H2O H1 3 0.423800 1.0079 0 - 7161 H2O 1715 H2O H2 3 0.423800 1.0079 0 - 7162 H2O 1716 H2O O1 4 -0.847600 15.9994 0 - 7163 H2O 1716 H2O H1 3 0.423800 1.0079 0 - 7164 H2O 1716 H2O H2 3 0.423800 1.0079 0 - 7165 H2O 1717 H2O O1 4 -0.847600 15.9994 0 - 7166 H2O 1717 H2O H1 3 0.423800 1.0079 0 - 7167 H2O 1717 H2O H2 3 0.423800 1.0079 0 - 7168 H2O 1718 H2O O1 4 -0.847600 15.9994 0 - 7169 H2O 1718 H2O H1 3 0.423800 1.0079 0 - 7170 H2O 1718 H2O H2 3 0.423800 1.0079 0 - 7171 H2O 1719 H2O O1 4 -0.847600 15.9994 0 - 7172 H2O 1719 H2O H1 3 0.423800 1.0079 0 - 7173 H2O 1719 H2O H2 3 0.423800 1.0079 0 - 7174 H2O 1720 H2O O1 4 -0.847600 15.9994 0 - 7175 H2O 1720 H2O H1 3 0.423800 1.0079 0 - 7176 H2O 1720 H2O H2 3 0.423800 1.0079 0 - 7177 H2O 1721 H2O O1 4 -0.847600 15.9994 0 - 7178 H2O 1721 H2O H1 3 0.423800 1.0079 0 - 7179 H2O 1721 H2O H2 3 0.423800 1.0079 0 - 7180 H2O 1722 H2O O1 4 -0.847600 15.9994 0 - 7181 H2O 1722 H2O H1 3 0.423800 1.0079 0 - 7182 H2O 1722 H2O H2 3 0.423800 1.0079 0 - 7183 H2O 1723 H2O O1 4 -0.847600 15.9994 0 - 7184 H2O 1723 H2O H1 3 0.423800 1.0079 0 - 7185 H2O 1723 H2O H2 3 0.423800 1.0079 0 - 7186 H2O 1724 H2O O1 4 -0.847600 15.9994 0 - 7187 H2O 1724 H2O H1 3 0.423800 1.0079 0 - 7188 H2O 1724 H2O H2 3 0.423800 1.0079 0 - 7189 H2O 1725 H2O O1 4 -0.847600 15.9994 0 - 7190 H2O 1725 H2O H1 3 0.423800 1.0079 0 - 7191 H2O 1725 H2O H2 3 0.423800 1.0079 0 - 7192 H2O 1726 H2O O1 4 -0.847600 15.9994 0 - 7193 H2O 1726 H2O H1 3 0.423800 1.0079 0 - 7194 H2O 1726 H2O H2 3 0.423800 1.0079 0 - 7195 H2O 1727 H2O O1 4 -0.847600 15.9994 0 - 7196 H2O 1727 H2O H1 3 0.423800 1.0079 0 - 7197 H2O 1727 H2O H2 3 0.423800 1.0079 0 - 7198 H2O 1728 H2O O1 4 -0.847600 15.9994 0 - 7199 H2O 1728 H2O H1 3 0.423800 1.0079 0 - 7200 H2O 1728 H2O H2 3 0.423800 1.0079 0 - 7201 H2O 1729 H2O O1 4 -0.847600 15.9994 0 - 7202 H2O 1729 H2O H1 3 0.423800 1.0079 0 - 7203 H2O 1729 H2O H2 3 0.423800 1.0079 0 - 7204 H2O 1730 H2O O1 4 -0.847600 15.9994 0 - 7205 H2O 1730 H2O H1 3 0.423800 1.0079 0 - 7206 H2O 1730 H2O H2 3 0.423800 1.0079 0 - 7207 H2O 1731 H2O O1 4 -0.847600 15.9994 0 - 7208 H2O 1731 H2O H1 3 0.423800 1.0079 0 - 7209 H2O 1731 H2O H2 3 0.423800 1.0079 0 - 7210 H2O 1732 H2O O1 4 -0.847600 15.9994 0 - 7211 H2O 1732 H2O H1 3 0.423800 1.0079 0 - 7212 H2O 1732 H2O H2 3 0.423800 1.0079 0 - 7213 H2O 1733 H2O O1 4 -0.847600 15.9994 0 - 7214 H2O 1733 H2O H1 3 0.423800 1.0079 0 - 7215 H2O 1733 H2O H2 3 0.423800 1.0079 0 - 7216 H2O 1734 H2O O1 4 -0.847600 15.9994 0 - 7217 H2O 1734 H2O H1 3 0.423800 1.0079 0 - 7218 H2O 1734 H2O H2 3 0.423800 1.0079 0 - 7219 H2O 1735 H2O O1 4 -0.847600 15.9994 0 - 7220 H2O 1735 H2O H1 3 0.423800 1.0079 0 - 7221 H2O 1735 H2O H2 3 0.423800 1.0079 0 - 7222 H2O 1736 H2O O1 4 -0.847600 15.9994 0 - 7223 H2O 1736 H2O H1 3 0.423800 1.0079 0 - 7224 H2O 1736 H2O H2 3 0.423800 1.0079 0 - 7225 H2O 1737 H2O O1 4 -0.847600 15.9994 0 - 7226 H2O 1737 H2O H1 3 0.423800 1.0079 0 - 7227 H2O 1737 H2O H2 3 0.423800 1.0079 0 - 7228 H2O 1738 H2O O1 4 -0.847600 15.9994 0 - 7229 H2O 1738 H2O H1 3 0.423800 1.0079 0 - 7230 H2O 1738 H2O H2 3 0.423800 1.0079 0 - 7231 H2O 1739 H2O O1 4 -0.847600 15.9994 0 - 7232 H2O 1739 H2O H1 3 0.423800 1.0079 0 - 7233 H2O 1739 H2O H2 3 0.423800 1.0079 0 - 7234 H2O 1740 H2O O1 4 -0.847600 15.9994 0 - 7235 H2O 1740 H2O H1 3 0.423800 1.0079 0 - 7236 H2O 1740 H2O H2 3 0.423800 1.0079 0 - 7237 H2O 1741 H2O O1 4 -0.847600 15.9994 0 - 7238 H2O 1741 H2O H1 3 0.423800 1.0079 0 - 7239 H2O 1741 H2O H2 3 0.423800 1.0079 0 - 7240 H2O 1742 H2O O1 4 -0.847600 15.9994 0 - 7241 H2O 1742 H2O H1 3 0.423800 1.0079 0 - 7242 H2O 1742 H2O H2 3 0.423800 1.0079 0 - 7243 H2O 1743 H2O O1 4 -0.847600 15.9994 0 - 7244 H2O 1743 H2O H1 3 0.423800 1.0079 0 - 7245 H2O 1743 H2O H2 3 0.423800 1.0079 0 - 7246 H2O 1744 H2O O1 4 -0.847600 15.9994 0 - 7247 H2O 1744 H2O H1 3 0.423800 1.0079 0 - 7248 H2O 1744 H2O H2 3 0.423800 1.0079 0 - 7249 H2O 1745 H2O O1 4 -0.847600 15.9994 0 - 7250 H2O 1745 H2O H1 3 0.423800 1.0079 0 - 7251 H2O 1745 H2O H2 3 0.423800 1.0079 0 - 7252 H2O 1746 H2O O1 4 -0.847600 15.9994 0 - 7253 H2O 1746 H2O H1 3 0.423800 1.0079 0 - 7254 H2O 1746 H2O H2 3 0.423800 1.0079 0 - 7255 H2O 1747 H2O O1 4 -0.847600 15.9994 0 - 7256 H2O 1747 H2O H1 3 0.423800 1.0079 0 - 7257 H2O 1747 H2O H2 3 0.423800 1.0079 0 - 7258 H2O 1748 H2O O1 4 -0.847600 15.9994 0 - 7259 H2O 1748 H2O H1 3 0.423800 1.0079 0 - 7260 H2O 1748 H2O H2 3 0.423800 1.0079 0 - 7261 H2O 1749 H2O O1 4 -0.847600 15.9994 0 - 7262 H2O 1749 H2O H1 3 0.423800 1.0079 0 - 7263 H2O 1749 H2O H2 3 0.423800 1.0079 0 - 7264 H2O 1750 H2O O1 4 -0.847600 15.9994 0 - 7265 H2O 1750 H2O H1 3 0.423800 1.0079 0 - 7266 H2O 1750 H2O H2 3 0.423800 1.0079 0 - 7267 H2O 1751 H2O O1 4 -0.847600 15.9994 0 - 7268 H2O 1751 H2O H1 3 0.423800 1.0079 0 - 7269 H2O 1751 H2O H2 3 0.423800 1.0079 0 - 7270 H2O 1752 H2O O1 4 -0.847600 15.9994 0 - 7271 H2O 1752 H2O H1 3 0.423800 1.0079 0 - 7272 H2O 1752 H2O H2 3 0.423800 1.0079 0 - 7273 H2O 1753 H2O O1 4 -0.847600 15.9994 0 - 7274 H2O 1753 H2O H1 3 0.423800 1.0079 0 - 7275 H2O 1753 H2O H2 3 0.423800 1.0079 0 - 7276 H2O 1754 H2O O1 4 -0.847600 15.9994 0 - 7277 H2O 1754 H2O H1 3 0.423800 1.0079 0 - 7278 H2O 1754 H2O H2 3 0.423800 1.0079 0 - 7279 H2O 1755 H2O O1 4 -0.847600 15.9994 0 - 7280 H2O 1755 H2O H1 3 0.423800 1.0079 0 - 7281 H2O 1755 H2O H2 3 0.423800 1.0079 0 - 7282 H2O 1756 H2O O1 4 -0.847600 15.9994 0 - 7283 H2O 1756 H2O H1 3 0.423800 1.0079 0 - 7284 H2O 1756 H2O H2 3 0.423800 1.0079 0 - 7285 H2O 1757 H2O O1 4 -0.847600 15.9994 0 - 7286 H2O 1757 H2O H1 3 0.423800 1.0079 0 - 7287 H2O 1757 H2O H2 3 0.423800 1.0079 0 - 7288 H2O 1758 H2O O1 4 -0.847600 15.9994 0 - 7289 H2O 1758 H2O H1 3 0.423800 1.0079 0 - 7290 H2O 1758 H2O H2 3 0.423800 1.0079 0 - 7291 H2O 1759 H2O O1 4 -0.847600 15.9994 0 - 7292 H2O 1759 H2O H1 3 0.423800 1.0079 0 - 7293 H2O 1759 H2O H2 3 0.423800 1.0079 0 - 7294 H2O 1760 H2O O1 4 -0.847600 15.9994 0 - 7295 H2O 1760 H2O H1 3 0.423800 1.0079 0 - 7296 H2O 1760 H2O H2 3 0.423800 1.0079 0 - 7297 H2O 1761 H2O O1 4 -0.847600 15.9994 0 - 7298 H2O 1761 H2O H1 3 0.423800 1.0079 0 - 7299 H2O 1761 H2O H2 3 0.423800 1.0079 0 - 7300 H2O 1762 H2O O1 4 -0.847600 15.9994 0 - 7301 H2O 1762 H2O H1 3 0.423800 1.0079 0 - 7302 H2O 1762 H2O H2 3 0.423800 1.0079 0 - 7303 H2O 1763 H2O O1 4 -0.847600 15.9994 0 - 7304 H2O 1763 H2O H1 3 0.423800 1.0079 0 - 7305 H2O 1763 H2O H2 3 0.423800 1.0079 0 - 7306 H2O 1764 H2O O1 4 -0.847600 15.9994 0 - 7307 H2O 1764 H2O H1 3 0.423800 1.0079 0 - 7308 H2O 1764 H2O H2 3 0.423800 1.0079 0 - 7309 H2O 1765 H2O O1 4 -0.847600 15.9994 0 - 7310 H2O 1765 H2O H1 3 0.423800 1.0079 0 - 7311 H2O 1765 H2O H2 3 0.423800 1.0079 0 - 7312 H2O 1766 H2O O1 4 -0.847600 15.9994 0 - 7313 H2O 1766 H2O H1 3 0.423800 1.0079 0 - 7314 H2O 1766 H2O H2 3 0.423800 1.0079 0 - 7315 H2O 1767 H2O O1 4 -0.847600 15.9994 0 - 7316 H2O 1767 H2O H1 3 0.423800 1.0079 0 - 7317 H2O 1767 H2O H2 3 0.423800 1.0079 0 - 7318 H2O 1768 H2O O1 4 -0.847600 15.9994 0 - 7319 H2O 1768 H2O H1 3 0.423800 1.0079 0 - 7320 H2O 1768 H2O H2 3 0.423800 1.0079 0 - 7321 H2O 1769 H2O O1 4 -0.847600 15.9994 0 - 7322 H2O 1769 H2O H1 3 0.423800 1.0079 0 - 7323 H2O 1769 H2O H2 3 0.423800 1.0079 0 - 7324 H2O 1770 H2O O1 4 -0.847600 15.9994 0 - 7325 H2O 1770 H2O H1 3 0.423800 1.0079 0 - 7326 H2O 1770 H2O H2 3 0.423800 1.0079 0 - 7327 H2O 1771 H2O O1 4 -0.847600 15.9994 0 - 7328 H2O 1771 H2O H1 3 0.423800 1.0079 0 - 7329 H2O 1771 H2O H2 3 0.423800 1.0079 0 - 7330 H2O 1772 H2O O1 4 -0.847600 15.9994 0 - 7331 H2O 1772 H2O H1 3 0.423800 1.0079 0 - 7332 H2O 1772 H2O H2 3 0.423800 1.0079 0 - 7333 H2O 1773 H2O O1 4 -0.847600 15.9994 0 - 7334 H2O 1773 H2O H1 3 0.423800 1.0079 0 - 7335 H2O 1773 H2O H2 3 0.423800 1.0079 0 - 7336 H2O 1774 H2O O1 4 -0.847600 15.9994 0 - 7337 H2O 1774 H2O H1 3 0.423800 1.0079 0 - 7338 H2O 1774 H2O H2 3 0.423800 1.0079 0 - 7339 H2O 1775 H2O O1 4 -0.847600 15.9994 0 - 7340 H2O 1775 H2O H1 3 0.423800 1.0079 0 - 7341 H2O 1775 H2O H2 3 0.423800 1.0079 0 - 7342 H2O 1776 H2O O1 4 -0.847600 15.9994 0 - 7343 H2O 1776 H2O H1 3 0.423800 1.0079 0 - 7344 H2O 1776 H2O H2 3 0.423800 1.0079 0 - 7345 H2O 1777 H2O O1 4 -0.847600 15.9994 0 - 7346 H2O 1777 H2O H1 3 0.423800 1.0079 0 - 7347 H2O 1777 H2O H2 3 0.423800 1.0079 0 - 7348 H2O 1778 H2O O1 4 -0.847600 15.9994 0 - 7349 H2O 1778 H2O H1 3 0.423800 1.0079 0 - 7350 H2O 1778 H2O H2 3 0.423800 1.0079 0 - 7351 H2O 1779 H2O O1 4 -0.847600 15.9994 0 - 7352 H2O 1779 H2O H1 3 0.423800 1.0079 0 - 7353 H2O 1779 H2O H2 3 0.423800 1.0079 0 - 7354 H2O 1780 H2O O1 4 -0.847600 15.9994 0 - 7355 H2O 1780 H2O H1 3 0.423800 1.0079 0 - 7356 H2O 1780 H2O H2 3 0.423800 1.0079 0 - 7357 H2O 1781 H2O O1 4 -0.847600 15.9994 0 - 7358 H2O 1781 H2O H1 3 0.423800 1.0079 0 - 7359 H2O 1781 H2O H2 3 0.423800 1.0079 0 - 7360 H2O 1782 H2O O1 4 -0.847600 15.9994 0 - 7361 H2O 1782 H2O H1 3 0.423800 1.0079 0 - 7362 H2O 1782 H2O H2 3 0.423800 1.0079 0 - 7363 H2O 1783 H2O O1 4 -0.847600 15.9994 0 - 7364 H2O 1783 H2O H1 3 0.423800 1.0079 0 - 7365 H2O 1783 H2O H2 3 0.423800 1.0079 0 - 7366 H2O 1784 H2O O1 4 -0.847600 15.9994 0 - 7367 H2O 1784 H2O H1 3 0.423800 1.0079 0 - 7368 H2O 1784 H2O H2 3 0.423800 1.0079 0 - 7369 H2O 1785 H2O O1 4 -0.847600 15.9994 0 - 7370 H2O 1785 H2O H1 3 0.423800 1.0079 0 - 7371 H2O 1785 H2O H2 3 0.423800 1.0079 0 - 7372 H2O 1786 H2O O1 4 -0.847600 15.9994 0 - 7373 H2O 1786 H2O H1 3 0.423800 1.0079 0 - 7374 H2O 1786 H2O H2 3 0.423800 1.0079 0 - 7375 H2O 1787 H2O O1 4 -0.847600 15.9994 0 - 7376 H2O 1787 H2O H1 3 0.423800 1.0079 0 - 7377 H2O 1787 H2O H2 3 0.423800 1.0079 0 - 7378 H2O 1788 H2O O1 4 -0.847600 15.9994 0 - 7379 H2O 1788 H2O H1 3 0.423800 1.0079 0 - 7380 H2O 1788 H2O H2 3 0.423800 1.0079 0 - 7381 H2O 1789 H2O O1 4 -0.847600 15.9994 0 - 7382 H2O 1789 H2O H1 3 0.423800 1.0079 0 - 7383 H2O 1789 H2O H2 3 0.423800 1.0079 0 - 7384 H2O 1790 H2O O1 4 -0.847600 15.9994 0 - 7385 H2O 1790 H2O H1 3 0.423800 1.0079 0 - 7386 H2O 1790 H2O H2 3 0.423800 1.0079 0 - 7387 H2O 1791 H2O O1 4 -0.847600 15.9994 0 - 7388 H2O 1791 H2O H1 3 0.423800 1.0079 0 - 7389 H2O 1791 H2O H2 3 0.423800 1.0079 0 - 7390 H2O 1792 H2O O1 4 -0.847600 15.9994 0 - 7391 H2O 1792 H2O H1 3 0.423800 1.0079 0 - 7392 H2O 1792 H2O H2 3 0.423800 1.0079 0 - 7393 H2O 1793 H2O O1 4 -0.847600 15.9994 0 - 7394 H2O 1793 H2O H1 3 0.423800 1.0079 0 - 7395 H2O 1793 H2O H2 3 0.423800 1.0079 0 - 7396 H2O 1794 H2O O1 4 -0.847600 15.9994 0 - 7397 H2O 1794 H2O H1 3 0.423800 1.0079 0 - 7398 H2O 1794 H2O H2 3 0.423800 1.0079 0 - 7399 H2O 1795 H2O O1 4 -0.847600 15.9994 0 - 7400 H2O 1795 H2O H1 3 0.423800 1.0079 0 - 7401 H2O 1795 H2O H2 3 0.423800 1.0079 0 - 7402 H2O 1796 H2O O1 4 -0.847600 15.9994 0 - 7403 H2O 1796 H2O H1 3 0.423800 1.0079 0 - 7404 H2O 1796 H2O H2 3 0.423800 1.0079 0 - 7405 H2O 1797 H2O O1 4 -0.847600 15.9994 0 - 7406 H2O 1797 H2O H1 3 0.423800 1.0079 0 - 7407 H2O 1797 H2O H2 3 0.423800 1.0079 0 - 7408 H2O 1798 H2O O1 4 -0.847600 15.9994 0 - 7409 H2O 1798 H2O H1 3 0.423800 1.0079 0 - 7410 H2O 1798 H2O H2 3 0.423800 1.0079 0 - 7411 H2O 1799 H2O O1 4 -0.847600 15.9994 0 - 7412 H2O 1799 H2O H1 3 0.423800 1.0079 0 - 7413 H2O 1799 H2O H2 3 0.423800 1.0079 0 - 7414 H2O 1800 H2O O1 4 -0.847600 15.9994 0 - 7415 H2O 1800 H2O H1 3 0.423800 1.0079 0 - 7416 H2O 1800 H2O H2 3 0.423800 1.0079 0 - 7417 H2O 1801 H2O O1 4 -0.847600 15.9994 0 - 7418 H2O 1801 H2O H1 3 0.423800 1.0079 0 - 7419 H2O 1801 H2O H2 3 0.423800 1.0079 0 - 7420 H2O 1802 H2O O1 4 -0.847600 15.9994 0 - 7421 H2O 1802 H2O H1 3 0.423800 1.0079 0 - 7422 H2O 1802 H2O H2 3 0.423800 1.0079 0 - 7423 H2O 1803 H2O O1 4 -0.847600 15.9994 0 - 7424 H2O 1803 H2O H1 3 0.423800 1.0079 0 - 7425 H2O 1803 H2O H2 3 0.423800 1.0079 0 - 7426 H2O 1804 H2O O1 4 -0.847600 15.9994 0 - 7427 H2O 1804 H2O H1 3 0.423800 1.0079 0 - 7428 H2O 1804 H2O H2 3 0.423800 1.0079 0 - 7429 H2O 1805 H2O O1 4 -0.847600 15.9994 0 - 7430 H2O 1805 H2O H1 3 0.423800 1.0079 0 - 7431 H2O 1805 H2O H2 3 0.423800 1.0079 0 - 7432 H2O 1806 H2O O1 4 -0.847600 15.9994 0 - 7433 H2O 1806 H2O H1 3 0.423800 1.0079 0 - 7434 H2O 1806 H2O H2 3 0.423800 1.0079 0 - 7435 H2O 1807 H2O O1 4 -0.847600 15.9994 0 - 7436 H2O 1807 H2O H1 3 0.423800 1.0079 0 - 7437 H2O 1807 H2O H2 3 0.423800 1.0079 0 - 7438 H2O 1808 H2O O1 4 -0.847600 15.9994 0 - 7439 H2O 1808 H2O H1 3 0.423800 1.0079 0 - 7440 H2O 1808 H2O H2 3 0.423800 1.0079 0 - 7441 H2O 1809 H2O O1 4 -0.847600 15.9994 0 - 7442 H2O 1809 H2O H1 3 0.423800 1.0079 0 - 7443 H2O 1809 H2O H2 3 0.423800 1.0079 0 - 7444 H2O 1810 H2O O1 4 -0.847600 15.9994 0 - 7445 H2O 1810 H2O H1 3 0.423800 1.0079 0 - 7446 H2O 1810 H2O H2 3 0.423800 1.0079 0 - 7447 H2O 1811 H2O O1 4 -0.847600 15.9994 0 - 7448 H2O 1811 H2O H1 3 0.423800 1.0079 0 - 7449 H2O 1811 H2O H2 3 0.423800 1.0079 0 - 7450 H2O 1812 H2O O1 4 -0.847600 15.9994 0 - 7451 H2O 1812 H2O H1 3 0.423800 1.0079 0 - 7452 H2O 1812 H2O H2 3 0.423800 1.0079 0 - 7453 H2O 1813 H2O O1 4 -0.847600 15.9994 0 - 7454 H2O 1813 H2O H1 3 0.423800 1.0079 0 - 7455 H2O 1813 H2O H2 3 0.423800 1.0079 0 - 7456 H2O 1814 H2O O1 4 -0.847600 15.9994 0 - 7457 H2O 1814 H2O H1 3 0.423800 1.0079 0 - 7458 H2O 1814 H2O H2 3 0.423800 1.0079 0 - 7459 H2O 1815 H2O O1 4 -0.847600 15.9994 0 - 7460 H2O 1815 H2O H1 3 0.423800 1.0079 0 - 7461 H2O 1815 H2O H2 3 0.423800 1.0079 0 - 7462 H2O 1816 H2O O1 4 -0.847600 15.9994 0 - 7463 H2O 1816 H2O H1 3 0.423800 1.0079 0 - 7464 H2O 1816 H2O H2 3 0.423800 1.0079 0 - 7465 H2O 1817 H2O O1 4 -0.847600 15.9994 0 - 7466 H2O 1817 H2O H1 3 0.423800 1.0079 0 - 7467 H2O 1817 H2O H2 3 0.423800 1.0079 0 - 7468 H2O 1818 H2O O1 4 -0.847600 15.9994 0 - 7469 H2O 1818 H2O H1 3 0.423800 1.0079 0 - 7470 H2O 1818 H2O H2 3 0.423800 1.0079 0 - 7471 H2O 1819 H2O O1 4 -0.847600 15.9994 0 - 7472 H2O 1819 H2O H1 3 0.423800 1.0079 0 - 7473 H2O 1819 H2O H2 3 0.423800 1.0079 0 - 7474 H2O 1820 H2O O1 4 -0.847600 15.9994 0 - 7475 H2O 1820 H2O H1 3 0.423800 1.0079 0 - 7476 H2O 1820 H2O H2 3 0.423800 1.0079 0 - 7477 H2O 1821 H2O O1 4 -0.847600 15.9994 0 - 7478 H2O 1821 H2O H1 3 0.423800 1.0079 0 - 7479 H2O 1821 H2O H2 3 0.423800 1.0079 0 - 7480 H2O 1822 H2O O1 4 -0.847600 15.9994 0 - 7481 H2O 1822 H2O H1 3 0.423800 1.0079 0 - 7482 H2O 1822 H2O H2 3 0.423800 1.0079 0 - 7483 H2O 1823 H2O O1 4 -0.847600 15.9994 0 - 7484 H2O 1823 H2O H1 3 0.423800 1.0079 0 - 7485 H2O 1823 H2O H2 3 0.423800 1.0079 0 - 7486 H2O 1824 H2O O1 4 -0.847600 15.9994 0 - 7487 H2O 1824 H2O H1 3 0.423800 1.0079 0 - 7488 H2O 1824 H2O H2 3 0.423800 1.0079 0 - 7489 H2O 1825 H2O O1 4 -0.847600 15.9994 0 - 7490 H2O 1825 H2O H1 3 0.423800 1.0079 0 - 7491 H2O 1825 H2O H2 3 0.423800 1.0079 0 - 7492 H2O 1826 H2O O1 4 -0.847600 15.9994 0 - 7493 H2O 1826 H2O H1 3 0.423800 1.0079 0 - 7494 H2O 1826 H2O H2 3 0.423800 1.0079 0 - 7495 H2O 1827 H2O O1 4 -0.847600 15.9994 0 - 7496 H2O 1827 H2O H1 3 0.423800 1.0079 0 - 7497 H2O 1827 H2O H2 3 0.423800 1.0079 0 - 7498 H2O 1828 H2O O1 4 -0.847600 15.9994 0 - 7499 H2O 1828 H2O H1 3 0.423800 1.0079 0 - 7500 H2O 1828 H2O H2 3 0.423800 1.0079 0 - 7501 H2O 1829 H2O O1 4 -0.847600 15.9994 0 - 7502 H2O 1829 H2O H1 3 0.423800 1.0079 0 - 7503 H2O 1829 H2O H2 3 0.423800 1.0079 0 - 7504 H2O 1830 H2O O1 4 -0.847600 15.9994 0 - 7505 H2O 1830 H2O H1 3 0.423800 1.0079 0 - 7506 H2O 1830 H2O H2 3 0.423800 1.0079 0 - 7507 H2O 1831 H2O O1 4 -0.847600 15.9994 0 - 7508 H2O 1831 H2O H1 3 0.423800 1.0079 0 - 7509 H2O 1831 H2O H2 3 0.423800 1.0079 0 - 7510 H2O 1832 H2O O1 4 -0.847600 15.9994 0 - 7511 H2O 1832 H2O H1 3 0.423800 1.0079 0 - 7512 H2O 1832 H2O H2 3 0.423800 1.0079 0 - 7513 H2O 1833 H2O O1 4 -0.847600 15.9994 0 - 7514 H2O 1833 H2O H1 3 0.423800 1.0079 0 - 7515 H2O 1833 H2O H2 3 0.423800 1.0079 0 - 7516 H2O 1834 H2O O1 4 -0.847600 15.9994 0 - 7517 H2O 1834 H2O H1 3 0.423800 1.0079 0 - 7518 H2O 1834 H2O H2 3 0.423800 1.0079 0 - 7519 H2O 1835 H2O O1 4 -0.847600 15.9994 0 - 7520 H2O 1835 H2O H1 3 0.423800 1.0079 0 - 7521 H2O 1835 H2O H2 3 0.423800 1.0079 0 - 7522 H2O 1836 H2O O1 4 -0.847600 15.9994 0 - 7523 H2O 1836 H2O H1 3 0.423800 1.0079 0 - 7524 H2O 1836 H2O H2 3 0.423800 1.0079 0 - 7525 H2O 1837 H2O O1 4 -0.847600 15.9994 0 - 7526 H2O 1837 H2O H1 3 0.423800 1.0079 0 - 7527 H2O 1837 H2O H2 3 0.423800 1.0079 0 - 7528 H2O 1838 H2O O1 4 -0.847600 15.9994 0 - 7529 H2O 1838 H2O H1 3 0.423800 1.0079 0 - 7530 H2O 1838 H2O H2 3 0.423800 1.0079 0 - 7531 H2O 1839 H2O O1 4 -0.847600 15.9994 0 - 7532 H2O 1839 H2O H1 3 0.423800 1.0079 0 - 7533 H2O 1839 H2O H2 3 0.423800 1.0079 0 - 7534 H2O 1840 H2O O1 4 -0.847600 15.9994 0 - 7535 H2O 1840 H2O H1 3 0.423800 1.0079 0 - 7536 H2O 1840 H2O H2 3 0.423800 1.0079 0 - 7537 H2O 1841 H2O O1 4 -0.847600 15.9994 0 - 7538 H2O 1841 H2O H1 3 0.423800 1.0079 0 - 7539 H2O 1841 H2O H2 3 0.423800 1.0079 0 - 7540 H2O 1842 H2O O1 4 -0.847600 15.9994 0 - 7541 H2O 1842 H2O H1 3 0.423800 1.0079 0 - 7542 H2O 1842 H2O H2 3 0.423800 1.0079 0 - 7543 H2O 1843 H2O O1 4 -0.847600 15.9994 0 - 7544 H2O 1843 H2O H1 3 0.423800 1.0079 0 - 7545 H2O 1843 H2O H2 3 0.423800 1.0079 0 - 7546 H2O 1844 H2O O1 4 -0.847600 15.9994 0 - 7547 H2O 1844 H2O H1 3 0.423800 1.0079 0 - 7548 H2O 1844 H2O H2 3 0.423800 1.0079 0 - 7549 H2O 1845 H2O O1 4 -0.847600 15.9994 0 - 7550 H2O 1845 H2O H1 3 0.423800 1.0079 0 - 7551 H2O 1845 H2O H2 3 0.423800 1.0079 0 - 7552 H2O 1846 H2O O1 4 -0.847600 15.9994 0 - 7553 H2O 1846 H2O H1 3 0.423800 1.0079 0 - 7554 H2O 1846 H2O H2 3 0.423800 1.0079 0 - 7555 H2O 1847 H2O O1 4 -0.847600 15.9994 0 - 7556 H2O 1847 H2O H1 3 0.423800 1.0079 0 - 7557 H2O 1847 H2O H2 3 0.423800 1.0079 0 - 7558 H2O 1848 H2O O1 4 -0.847600 15.9994 0 - 7559 H2O 1848 H2O H1 3 0.423800 1.0079 0 - 7560 H2O 1848 H2O H2 3 0.423800 1.0079 0 - 7561 H2O 1849 H2O O1 4 -0.847600 15.9994 0 - 7562 H2O 1849 H2O H1 3 0.423800 1.0079 0 - 7563 H2O 1849 H2O H2 3 0.423800 1.0079 0 - 7564 H2O 1850 H2O O1 4 -0.847600 15.9994 0 - 7565 H2O 1850 H2O H1 3 0.423800 1.0079 0 - 7566 H2O 1850 H2O H2 3 0.423800 1.0079 0 - 7567 H2O 1851 H2O O1 4 -0.847600 15.9994 0 - 7568 H2O 1851 H2O H1 3 0.423800 1.0079 0 - 7569 H2O 1851 H2O H2 3 0.423800 1.0079 0 - 7570 H2O 1852 H2O O1 4 -0.847600 15.9994 0 - 7571 H2O 1852 H2O H1 3 0.423800 1.0079 0 - 7572 H2O 1852 H2O H2 3 0.423800 1.0079 0 - 7573 H2O 1853 H2O O1 4 -0.847600 15.9994 0 - 7574 H2O 1853 H2O H1 3 0.423800 1.0079 0 - 7575 H2O 1853 H2O H2 3 0.423800 1.0079 0 - 7576 H2O 1854 H2O O1 4 -0.847600 15.9994 0 - 7577 H2O 1854 H2O H1 3 0.423800 1.0079 0 - 7578 H2O 1854 H2O H2 3 0.423800 1.0079 0 - 7579 H2O 1855 H2O O1 4 -0.847600 15.9994 0 - 7580 H2O 1855 H2O H1 3 0.423800 1.0079 0 - 7581 H2O 1855 H2O H2 3 0.423800 1.0079 0 - 7582 H2O 1856 H2O O1 4 -0.847600 15.9994 0 - 7583 H2O 1856 H2O H1 3 0.423800 1.0079 0 - 7584 H2O 1856 H2O H2 3 0.423800 1.0079 0 - 7585 H2O 1857 H2O O1 4 -0.847600 15.9994 0 - 7586 H2O 1857 H2O H1 3 0.423800 1.0079 0 - 7587 H2O 1857 H2O H2 3 0.423800 1.0079 0 - 7588 H2O 1858 H2O O1 4 -0.847600 15.9994 0 - 7589 H2O 1858 H2O H1 3 0.423800 1.0079 0 - 7590 H2O 1858 H2O H2 3 0.423800 1.0079 0 - 7591 H2O 1859 H2O O1 4 -0.847600 15.9994 0 - 7592 H2O 1859 H2O H1 3 0.423800 1.0079 0 - 7593 H2O 1859 H2O H2 3 0.423800 1.0079 0 - 7594 H2O 1860 H2O O1 4 -0.847600 15.9994 0 - 7595 H2O 1860 H2O H1 3 0.423800 1.0079 0 - 7596 H2O 1860 H2O H2 3 0.423800 1.0079 0 - 7597 H2O 1861 H2O O1 4 -0.847600 15.9994 0 - 7598 H2O 1861 H2O H1 3 0.423800 1.0079 0 - 7599 H2O 1861 H2O H2 3 0.423800 1.0079 0 - 7600 H2O 1862 H2O O1 4 -0.847600 15.9994 0 - 7601 H2O 1862 H2O H1 3 0.423800 1.0079 0 - 7602 H2O 1862 H2O H2 3 0.423800 1.0079 0 - 7603 H2O 1863 H2O O1 4 -0.847600 15.9994 0 - 7604 H2O 1863 H2O H1 3 0.423800 1.0079 0 - 7605 H2O 1863 H2O H2 3 0.423800 1.0079 0 - 7606 H2O 1864 H2O O1 4 -0.847600 15.9994 0 - 7607 H2O 1864 H2O H1 3 0.423800 1.0079 0 - 7608 H2O 1864 H2O H2 3 0.423800 1.0079 0 - 7609 H2O 1865 H2O O1 4 -0.847600 15.9994 0 - 7610 H2O 1865 H2O H1 3 0.423800 1.0079 0 - 7611 H2O 1865 H2O H2 3 0.423800 1.0079 0 - 7612 H2O 1866 H2O O1 4 -0.847600 15.9994 0 - 7613 H2O 1866 H2O H1 3 0.423800 1.0079 0 - 7614 H2O 1866 H2O H2 3 0.423800 1.0079 0 - 7615 H2O 1867 H2O O1 4 -0.847600 15.9994 0 - 7616 H2O 1867 H2O H1 3 0.423800 1.0079 0 - 7617 H2O 1867 H2O H2 3 0.423800 1.0079 0 - 7618 H2O 1868 H2O O1 4 -0.847600 15.9994 0 - 7619 H2O 1868 H2O H1 3 0.423800 1.0079 0 - 7620 H2O 1868 H2O H2 3 0.423800 1.0079 0 - 7621 H2O 1869 H2O O1 4 -0.847600 15.9994 0 - 7622 H2O 1869 H2O H1 3 0.423800 1.0079 0 - 7623 H2O 1869 H2O H2 3 0.423800 1.0079 0 - 7624 H2O 1870 H2O O1 4 -0.847600 15.9994 0 - 7625 H2O 1870 H2O H1 3 0.423800 1.0079 0 - 7626 H2O 1870 H2O H2 3 0.423800 1.0079 0 - 7627 H2O 1871 H2O O1 4 -0.847600 15.9994 0 - 7628 H2O 1871 H2O H1 3 0.423800 1.0079 0 - 7629 H2O 1871 H2O H2 3 0.423800 1.0079 0 - 7630 H2O 1872 H2O O1 4 -0.847600 15.9994 0 - 7631 H2O 1872 H2O H1 3 0.423800 1.0079 0 - 7632 H2O 1872 H2O H2 3 0.423800 1.0079 0 - 7633 H2O 1873 H2O O1 4 -0.847600 15.9994 0 - 7634 H2O 1873 H2O H1 3 0.423800 1.0079 0 - 7635 H2O 1873 H2O H2 3 0.423800 1.0079 0 - 7636 H2O 1874 H2O O1 4 -0.847600 15.9994 0 - 7637 H2O 1874 H2O H1 3 0.423800 1.0079 0 - 7638 H2O 1874 H2O H2 3 0.423800 1.0079 0 - 7639 H2O 1875 H2O O1 4 -0.847600 15.9994 0 - 7640 H2O 1875 H2O H1 3 0.423800 1.0079 0 - 7641 H2O 1875 H2O H2 3 0.423800 1.0079 0 - 7642 H2O 1876 H2O O1 4 -0.847600 15.9994 0 - 7643 H2O 1876 H2O H1 3 0.423800 1.0079 0 - 7644 H2O 1876 H2O H2 3 0.423800 1.0079 0 - 7645 H2O 1877 H2O O1 4 -0.847600 15.9994 0 - 7646 H2O 1877 H2O H1 3 0.423800 1.0079 0 - 7647 H2O 1877 H2O H2 3 0.423800 1.0079 0 - 7648 H2O 1878 H2O O1 4 -0.847600 15.9994 0 - 7649 H2O 1878 H2O H1 3 0.423800 1.0079 0 - 7650 H2O 1878 H2O H2 3 0.423800 1.0079 0 - 7651 H2O 1879 H2O O1 4 -0.847600 15.9994 0 - 7652 H2O 1879 H2O H1 3 0.423800 1.0079 0 - 7653 H2O 1879 H2O H2 3 0.423800 1.0079 0 - 7654 H2O 1880 H2O O1 4 -0.847600 15.9994 0 - 7655 H2O 1880 H2O H1 3 0.423800 1.0079 0 - 7656 H2O 1880 H2O H2 3 0.423800 1.0079 0 - 7657 H2O 1881 H2O O1 4 -0.847600 15.9994 0 - 7658 H2O 1881 H2O H1 3 0.423800 1.0079 0 - 7659 H2O 1881 H2O H2 3 0.423800 1.0079 0 - 7660 H2O 1882 H2O O1 4 -0.847600 15.9994 0 - 7661 H2O 1882 H2O H1 3 0.423800 1.0079 0 - 7662 H2O 1882 H2O H2 3 0.423800 1.0079 0 - 7663 H2O 1883 H2O O1 4 -0.847600 15.9994 0 - 7664 H2O 1883 H2O H1 3 0.423800 1.0079 0 - 7665 H2O 1883 H2O H2 3 0.423800 1.0079 0 - 7666 H2O 1884 H2O O1 4 -0.847600 15.9994 0 - 7667 H2O 1884 H2O H1 3 0.423800 1.0079 0 - 7668 H2O 1884 H2O H2 3 0.423800 1.0079 0 - 7669 H2O 1885 H2O O1 4 -0.847600 15.9994 0 - 7670 H2O 1885 H2O H1 3 0.423800 1.0079 0 - 7671 H2O 1885 H2O H2 3 0.423800 1.0079 0 - 7672 H2O 1886 H2O O1 4 -0.847600 15.9994 0 - 7673 H2O 1886 H2O H1 3 0.423800 1.0079 0 - 7674 H2O 1886 H2O H2 3 0.423800 1.0079 0 - 7675 H2O 1887 H2O O1 4 -0.847600 15.9994 0 - 7676 H2O 1887 H2O H1 3 0.423800 1.0079 0 - 7677 H2O 1887 H2O H2 3 0.423800 1.0079 0 - 7678 H2O 1888 H2O O1 4 -0.847600 15.9994 0 - 7679 H2O 1888 H2O H1 3 0.423800 1.0079 0 - 7680 H2O 1888 H2O H2 3 0.423800 1.0079 0 - 7681 H2O 1889 H2O O1 4 -0.847600 15.9994 0 - 7682 H2O 1889 H2O H1 3 0.423800 1.0079 0 - 7683 H2O 1889 H2O H2 3 0.423800 1.0079 0 - 7684 H2O 1890 H2O O1 4 -0.847600 15.9994 0 - 7685 H2O 1890 H2O H1 3 0.423800 1.0079 0 - 7686 H2O 1890 H2O H2 3 0.423800 1.0079 0 - 7687 H2O 1891 H2O O1 4 -0.847600 15.9994 0 - 7688 H2O 1891 H2O H1 3 0.423800 1.0079 0 - 7689 H2O 1891 H2O H2 3 0.423800 1.0079 0 - 7690 H2O 1892 H2O O1 4 -0.847600 15.9994 0 - 7691 H2O 1892 H2O H1 3 0.423800 1.0079 0 - 7692 H2O 1892 H2O H2 3 0.423800 1.0079 0 - 7693 H2O 1893 H2O O1 4 -0.847600 15.9994 0 - 7694 H2O 1893 H2O H1 3 0.423800 1.0079 0 - 7695 H2O 1893 H2O H2 3 0.423800 1.0079 0 - 7696 H2O 1894 H2O O1 4 -0.847600 15.9994 0 - 7697 H2O 1894 H2O H1 3 0.423800 1.0079 0 - 7698 H2O 1894 H2O H2 3 0.423800 1.0079 0 - 7699 H2O 1895 H2O O1 4 -0.847600 15.9994 0 - 7700 H2O 1895 H2O H1 3 0.423800 1.0079 0 - 7701 H2O 1895 H2O H2 3 0.423800 1.0079 0 - 7702 H2O 1896 H2O O1 4 -0.847600 15.9994 0 - 7703 H2O 1896 H2O H1 3 0.423800 1.0079 0 - 7704 H2O 1896 H2O H2 3 0.423800 1.0079 0 - 7705 H2O 1897 H2O O1 4 -0.847600 15.9994 0 - 7706 H2O 1897 H2O H1 3 0.423800 1.0079 0 - 7707 H2O 1897 H2O H2 3 0.423800 1.0079 0 - 7708 H2O 1898 H2O O1 4 -0.847600 15.9994 0 - 7709 H2O 1898 H2O H1 3 0.423800 1.0079 0 - 7710 H2O 1898 H2O H2 3 0.423800 1.0079 0 - 7711 H2O 1899 H2O O1 4 -0.847600 15.9994 0 - 7712 H2O 1899 H2O H1 3 0.423800 1.0079 0 - 7713 H2O 1899 H2O H2 3 0.423800 1.0079 0 - 7714 H2O 1900 H2O O1 4 -0.847600 15.9994 0 - 7715 H2O 1900 H2O H1 3 0.423800 1.0079 0 - 7716 H2O 1900 H2O H2 3 0.423800 1.0079 0 - 7717 H2O 1901 H2O O1 4 -0.847600 15.9994 0 - 7718 H2O 1901 H2O H1 3 0.423800 1.0079 0 - 7719 H2O 1901 H2O H2 3 0.423800 1.0079 0 - 7720 H2O 1902 H2O O1 4 -0.847600 15.9994 0 - 7721 H2O 1902 H2O H1 3 0.423800 1.0079 0 - 7722 H2O 1902 H2O H2 3 0.423800 1.0079 0 - 7723 H2O 1903 H2O O1 4 -0.847600 15.9994 0 - 7724 H2O 1903 H2O H1 3 0.423800 1.0079 0 - 7725 H2O 1903 H2O H2 3 0.423800 1.0079 0 - 7726 H2O 1904 H2O O1 4 -0.847600 15.9994 0 - 7727 H2O 1904 H2O H1 3 0.423800 1.0079 0 - 7728 H2O 1904 H2O H2 3 0.423800 1.0079 0 - 7729 H2O 1905 H2O O1 4 -0.847600 15.9994 0 - 7730 H2O 1905 H2O H1 3 0.423800 1.0079 0 - 7731 H2O 1905 H2O H2 3 0.423800 1.0079 0 - 7732 H2O 1906 H2O O1 4 -0.847600 15.9994 0 - 7733 H2O 1906 H2O H1 3 0.423800 1.0079 0 - 7734 H2O 1906 H2O H2 3 0.423800 1.0079 0 - 7735 H2O 1907 H2O O1 4 -0.847600 15.9994 0 - 7736 H2O 1907 H2O H1 3 0.423800 1.0079 0 - 7737 H2O 1907 H2O H2 3 0.423800 1.0079 0 - 7738 H2O 1908 H2O O1 4 -0.847600 15.9994 0 - 7739 H2O 1908 H2O H1 3 0.423800 1.0079 0 - 7740 H2O 1908 H2O H2 3 0.423800 1.0079 0 - 7741 H2O 1909 H2O O1 4 -0.847600 15.9994 0 - 7742 H2O 1909 H2O H1 3 0.423800 1.0079 0 - 7743 H2O 1909 H2O H2 3 0.423800 1.0079 0 - 7744 H2O 1910 H2O O1 4 -0.847600 15.9994 0 - 7745 H2O 1910 H2O H1 3 0.423800 1.0079 0 - 7746 H2O 1910 H2O H2 3 0.423800 1.0079 0 - 7747 H2O 1911 H2O O1 4 -0.847600 15.9994 0 - 7748 H2O 1911 H2O H1 3 0.423800 1.0079 0 - 7749 H2O 1911 H2O H2 3 0.423800 1.0079 0 - 7750 H2O 1912 H2O O1 4 -0.847600 15.9994 0 - 7751 H2O 1912 H2O H1 3 0.423800 1.0079 0 - 7752 H2O 1912 H2O H2 3 0.423800 1.0079 0 - 7753 H2O 1913 H2O O1 4 -0.847600 15.9994 0 - 7754 H2O 1913 H2O H1 3 0.423800 1.0079 0 - 7755 H2O 1913 H2O H2 3 0.423800 1.0079 0 - 7756 H2O 1914 H2O O1 4 -0.847600 15.9994 0 - 7757 H2O 1914 H2O H1 3 0.423800 1.0079 0 - 7758 H2O 1914 H2O H2 3 0.423800 1.0079 0 - 7759 H2O 1915 H2O O1 4 -0.847600 15.9994 0 - 7760 H2O 1915 H2O H1 3 0.423800 1.0079 0 - 7761 H2O 1915 H2O H2 3 0.423800 1.0079 0 - 7762 H2O 1916 H2O O1 4 -0.847600 15.9994 0 - 7763 H2O 1916 H2O H1 3 0.423800 1.0079 0 - 7764 H2O 1916 H2O H2 3 0.423800 1.0079 0 - 7765 H2O 1917 H2O O1 4 -0.847600 15.9994 0 - 7766 H2O 1917 H2O H1 3 0.423800 1.0079 0 - 7767 H2O 1917 H2O H2 3 0.423800 1.0079 0 - 7768 H2O 1918 H2O O1 4 -0.847600 15.9994 0 - 7769 H2O 1918 H2O H1 3 0.423800 1.0079 0 - 7770 H2O 1918 H2O H2 3 0.423800 1.0079 0 - 7771 H2O 1919 H2O O1 4 -0.847600 15.9994 0 - 7772 H2O 1919 H2O H1 3 0.423800 1.0079 0 - 7773 H2O 1919 H2O H2 3 0.423800 1.0079 0 - 7774 H2O 1920 H2O O1 4 -0.847600 15.9994 0 - 7775 H2O 1920 H2O H1 3 0.423800 1.0079 0 - 7776 H2O 1920 H2O H2 3 0.423800 1.0079 0 - 7777 H2O 1921 H2O O1 4 -0.847600 15.9994 0 - 7778 H2O 1921 H2O H1 3 0.423800 1.0079 0 - 7779 H2O 1921 H2O H2 3 0.423800 1.0079 0 - 7780 H2O 1922 H2O O1 4 -0.847600 15.9994 0 - 7781 H2O 1922 H2O H1 3 0.423800 1.0079 0 - 7782 H2O 1922 H2O H2 3 0.423800 1.0079 0 - 7783 H2O 1923 H2O O1 4 -0.847600 15.9994 0 - 7784 H2O 1923 H2O H1 3 0.423800 1.0079 0 - 7785 H2O 1923 H2O H2 3 0.423800 1.0079 0 - 7786 H2O 1924 H2O O1 4 -0.847600 15.9994 0 - 7787 H2O 1924 H2O H1 3 0.423800 1.0079 0 - 7788 H2O 1924 H2O H2 3 0.423800 1.0079 0 - 7789 H2O 1925 H2O O1 4 -0.847600 15.9994 0 - 7790 H2O 1925 H2O H1 3 0.423800 1.0079 0 - 7791 H2O 1925 H2O H2 3 0.423800 1.0079 0 - 7792 H2O 1926 H2O O1 4 -0.847600 15.9994 0 - 7793 H2O 1926 H2O H1 3 0.423800 1.0079 0 - 7794 H2O 1926 H2O H2 3 0.423800 1.0079 0 - 7795 H2O 1927 H2O O1 4 -0.847600 15.9994 0 - 7796 H2O 1927 H2O H1 3 0.423800 1.0079 0 - 7797 H2O 1927 H2O H2 3 0.423800 1.0079 0 - 7798 H2O 1928 H2O O1 4 -0.847600 15.9994 0 - 7799 H2O 1928 H2O H1 3 0.423800 1.0079 0 - 7800 H2O 1928 H2O H2 3 0.423800 1.0079 0 - 7801 H2O 1929 H2O O1 4 -0.847600 15.9994 0 - 7802 H2O 1929 H2O H1 3 0.423800 1.0079 0 - 7803 H2O 1929 H2O H2 3 0.423800 1.0079 0 - 7804 H2O 1930 H2O O1 4 -0.847600 15.9994 0 - 7805 H2O 1930 H2O H1 3 0.423800 1.0079 0 - 7806 H2O 1930 H2O H2 3 0.423800 1.0079 0 - 7807 H2O 1931 H2O O1 4 -0.847600 15.9994 0 - 7808 H2O 1931 H2O H1 3 0.423800 1.0079 0 - 7809 H2O 1931 H2O H2 3 0.423800 1.0079 0 - 7810 H2O 1932 H2O O1 4 -0.847600 15.9994 0 - 7811 H2O 1932 H2O H1 3 0.423800 1.0079 0 - 7812 H2O 1932 H2O H2 3 0.423800 1.0079 0 - 7813 H2O 1933 H2O O1 4 -0.847600 15.9994 0 - 7814 H2O 1933 H2O H1 3 0.423800 1.0079 0 - 7815 H2O 1933 H2O H2 3 0.423800 1.0079 0 - 7816 H2O 1934 H2O O1 4 -0.847600 15.9994 0 - 7817 H2O 1934 H2O H1 3 0.423800 1.0079 0 - 7818 H2O 1934 H2O H2 3 0.423800 1.0079 0 - 7819 H2O 1935 H2O O1 4 -0.847600 15.9994 0 - 7820 H2O 1935 H2O H1 3 0.423800 1.0079 0 - 7821 H2O 1935 H2O H2 3 0.423800 1.0079 0 - 7822 H2O 1936 H2O O1 4 -0.847600 15.9994 0 - 7823 H2O 1936 H2O H1 3 0.423800 1.0079 0 - 7824 H2O 1936 H2O H2 3 0.423800 1.0079 0 - 7825 H2O 1937 H2O O1 4 -0.847600 15.9994 0 - 7826 H2O 1937 H2O H1 3 0.423800 1.0079 0 - 7827 H2O 1937 H2O H2 3 0.423800 1.0079 0 - 7828 H2O 1938 H2O O1 4 -0.847600 15.9994 0 - 7829 H2O 1938 H2O H1 3 0.423800 1.0079 0 - 7830 H2O 1938 H2O H2 3 0.423800 1.0079 0 - 7831 H2O 1939 H2O O1 4 -0.847600 15.9994 0 - 7832 H2O 1939 H2O H1 3 0.423800 1.0079 0 - 7833 H2O 1939 H2O H2 3 0.423800 1.0079 0 - 7834 H2O 1940 H2O O1 4 -0.847600 15.9994 0 - 7835 H2O 1940 H2O H1 3 0.423800 1.0079 0 - 7836 H2O 1940 H2O H2 3 0.423800 1.0079 0 - 7837 H2O 1941 H2O O1 4 -0.847600 15.9994 0 - 7838 H2O 1941 H2O H1 3 0.423800 1.0079 0 - 7839 H2O 1941 H2O H2 3 0.423800 1.0079 0 - 7840 H2O 1942 H2O O1 4 -0.847600 15.9994 0 - 7841 H2O 1942 H2O H1 3 0.423800 1.0079 0 - 7842 H2O 1942 H2O H2 3 0.423800 1.0079 0 - 7843 H2O 1943 H2O O1 4 -0.847600 15.9994 0 - 7844 H2O 1943 H2O H1 3 0.423800 1.0079 0 - 7845 H2O 1943 H2O H2 3 0.423800 1.0079 0 - 7846 H2O 1944 H2O O1 4 -0.847600 15.9994 0 - 7847 H2O 1944 H2O H1 3 0.423800 1.0079 0 - 7848 H2O 1944 H2O H2 3 0.423800 1.0079 0 - 7849 H2O 1945 H2O O1 4 -0.847600 15.9994 0 - 7850 H2O 1945 H2O H1 3 0.423800 1.0079 0 - 7851 H2O 1945 H2O H2 3 0.423800 1.0079 0 - 7852 H2O 1946 H2O O1 4 -0.847600 15.9994 0 - 7853 H2O 1946 H2O H1 3 0.423800 1.0079 0 - 7854 H2O 1946 H2O H2 3 0.423800 1.0079 0 - 7855 H2O 1947 H2O O1 4 -0.847600 15.9994 0 - 7856 H2O 1947 H2O H1 3 0.423800 1.0079 0 - 7857 H2O 1947 H2O H2 3 0.423800 1.0079 0 - 7858 H2O 1948 H2O O1 4 -0.847600 15.9994 0 - 7859 H2O 1948 H2O H1 3 0.423800 1.0079 0 - 7860 H2O 1948 H2O H2 3 0.423800 1.0079 0 - 7861 H2O 1949 H2O O1 4 -0.847600 15.9994 0 - 7862 H2O 1949 H2O H1 3 0.423800 1.0079 0 - 7863 H2O 1949 H2O H2 3 0.423800 1.0079 0 - 7864 H2O 1950 H2O O1 4 -0.847600 15.9994 0 - 7865 H2O 1950 H2O H1 3 0.423800 1.0079 0 - 7866 H2O 1950 H2O H2 3 0.423800 1.0079 0 - 7867 H2O 1951 H2O O1 4 -0.847600 15.9994 0 - 7868 H2O 1951 H2O H1 3 0.423800 1.0079 0 - 7869 H2O 1951 H2O H2 3 0.423800 1.0079 0 - 7870 H2O 1952 H2O O1 4 -0.847600 15.9994 0 - 7871 H2O 1952 H2O H1 3 0.423800 1.0079 0 - 7872 H2O 1952 H2O H2 3 0.423800 1.0079 0 - 7873 H2O 1953 H2O O1 4 -0.847600 15.9994 0 - 7874 H2O 1953 H2O H1 3 0.423800 1.0079 0 - 7875 H2O 1953 H2O H2 3 0.423800 1.0079 0 - 7876 H2O 1954 H2O O1 4 -0.847600 15.9994 0 - 7877 H2O 1954 H2O H1 3 0.423800 1.0079 0 - 7878 H2O 1954 H2O H2 3 0.423800 1.0079 0 - 7879 H2O 1955 H2O O1 4 -0.847600 15.9994 0 - 7880 H2O 1955 H2O H1 3 0.423800 1.0079 0 - 7881 H2O 1955 H2O H2 3 0.423800 1.0079 0 - 7882 H2O 1956 H2O O1 4 -0.847600 15.9994 0 - 7883 H2O 1956 H2O H1 3 0.423800 1.0079 0 - 7884 H2O 1956 H2O H2 3 0.423800 1.0079 0 - 7885 H2O 1957 H2O O1 4 -0.847600 15.9994 0 - 7886 H2O 1957 H2O H1 3 0.423800 1.0079 0 - 7887 H2O 1957 H2O H2 3 0.423800 1.0079 0 - 7888 H2O 1958 H2O O1 4 -0.847600 15.9994 0 - 7889 H2O 1958 H2O H1 3 0.423800 1.0079 0 - 7890 H2O 1958 H2O H2 3 0.423800 1.0079 0 - 7891 H2O 1959 H2O O1 4 -0.847600 15.9994 0 - 7892 H2O 1959 H2O H1 3 0.423800 1.0079 0 - 7893 H2O 1959 H2O H2 3 0.423800 1.0079 0 - 7894 H2O 1960 H2O O1 4 -0.847600 15.9994 0 - 7895 H2O 1960 H2O H1 3 0.423800 1.0079 0 - 7896 H2O 1960 H2O H2 3 0.423800 1.0079 0 - 7897 H2O 1961 H2O O1 4 -0.847600 15.9994 0 - 7898 H2O 1961 H2O H1 3 0.423800 1.0079 0 - 7899 H2O 1961 H2O H2 3 0.423800 1.0079 0 - 7900 H2O 1962 H2O O1 4 -0.847600 15.9994 0 - 7901 H2O 1962 H2O H1 3 0.423800 1.0079 0 - 7902 H2O 1962 H2O H2 3 0.423800 1.0079 0 - 7903 H2O 1963 H2O O1 4 -0.847600 15.9994 0 - 7904 H2O 1963 H2O H1 3 0.423800 1.0079 0 - 7905 H2O 1963 H2O H2 3 0.423800 1.0079 0 - 7906 H2O 1964 H2O O1 4 -0.847600 15.9994 0 - 7907 H2O 1964 H2O H1 3 0.423800 1.0079 0 - 7908 H2O 1964 H2O H2 3 0.423800 1.0079 0 - 7909 H2O 1965 H2O O1 4 -0.847600 15.9994 0 - 7910 H2O 1965 H2O H1 3 0.423800 1.0079 0 - 7911 H2O 1965 H2O H2 3 0.423800 1.0079 0 - 7912 H2O 1966 H2O O1 4 -0.847600 15.9994 0 - 7913 H2O 1966 H2O H1 3 0.423800 1.0079 0 - 7914 H2O 1966 H2O H2 3 0.423800 1.0079 0 - 7915 H2O 1967 H2O O1 4 -0.847600 15.9994 0 - 7916 H2O 1967 H2O H1 3 0.423800 1.0079 0 - 7917 H2O 1967 H2O H2 3 0.423800 1.0079 0 - 7918 H2O 1968 H2O O1 4 -0.847600 15.9994 0 - 7919 H2O 1968 H2O H1 3 0.423800 1.0079 0 - 7920 H2O 1968 H2O H2 3 0.423800 1.0079 0 - 7921 H2O 1969 H2O O1 4 -0.847600 15.9994 0 - 7922 H2O 1969 H2O H1 3 0.423800 1.0079 0 - 7923 H2O 1969 H2O H2 3 0.423800 1.0079 0 - 7924 H2O 1970 H2O O1 4 -0.847600 15.9994 0 - 7925 H2O 1970 H2O H1 3 0.423800 1.0079 0 - 7926 H2O 1970 H2O H2 3 0.423800 1.0079 0 - 7927 H2O 1971 H2O O1 4 -0.847600 15.9994 0 - 7928 H2O 1971 H2O H1 3 0.423800 1.0079 0 - 7929 H2O 1971 H2O H2 3 0.423800 1.0079 0 - 7930 H2O 1972 H2O O1 4 -0.847600 15.9994 0 - 7931 H2O 1972 H2O H1 3 0.423800 1.0079 0 - 7932 H2O 1972 H2O H2 3 0.423800 1.0079 0 - 7933 H2O 1973 H2O O1 4 -0.847600 15.9994 0 - 7934 H2O 1973 H2O H1 3 0.423800 1.0079 0 - 7935 H2O 1973 H2O H2 3 0.423800 1.0079 0 - 7936 H2O 1974 H2O O1 4 -0.847600 15.9994 0 - 7937 H2O 1974 H2O H1 3 0.423800 1.0079 0 - 7938 H2O 1974 H2O H2 3 0.423800 1.0079 0 - 7939 H2O 1975 H2O O1 4 -0.847600 15.9994 0 - 7940 H2O 1975 H2O H1 3 0.423800 1.0079 0 - 7941 H2O 1975 H2O H2 3 0.423800 1.0079 0 - 7942 H2O 1976 H2O O1 4 -0.847600 15.9994 0 - 7943 H2O 1976 H2O H1 3 0.423800 1.0079 0 - 7944 H2O 1976 H2O H2 3 0.423800 1.0079 0 - 7945 H2O 1977 H2O O1 4 -0.847600 15.9994 0 - 7946 H2O 1977 H2O H1 3 0.423800 1.0079 0 - 7947 H2O 1977 H2O H2 3 0.423800 1.0079 0 - 7948 H2O 1978 H2O O1 4 -0.847600 15.9994 0 - 7949 H2O 1978 H2O H1 3 0.423800 1.0079 0 - 7950 H2O 1978 H2O H2 3 0.423800 1.0079 0 - 7951 H2O 1979 H2O O1 4 -0.847600 15.9994 0 - 7952 H2O 1979 H2O H1 3 0.423800 1.0079 0 - 7953 H2O 1979 H2O H2 3 0.423800 1.0079 0 - 7954 H2O 1980 H2O O1 4 -0.847600 15.9994 0 - 7955 H2O 1980 H2O H1 3 0.423800 1.0079 0 - 7956 H2O 1980 H2O H2 3 0.423800 1.0079 0 - 7957 H2O 1981 H2O O1 4 -0.847600 15.9994 0 - 7958 H2O 1981 H2O H1 3 0.423800 1.0079 0 - 7959 H2O 1981 H2O H2 3 0.423800 1.0079 0 - 7960 H2O 1982 H2O O1 4 -0.847600 15.9994 0 - 7961 H2O 1982 H2O H1 3 0.423800 1.0079 0 - 7962 H2O 1982 H2O H2 3 0.423800 1.0079 0 - 7963 H2O 1983 H2O O1 4 -0.847600 15.9994 0 - 7964 H2O 1983 H2O H1 3 0.423800 1.0079 0 - 7965 H2O 1983 H2O H2 3 0.423800 1.0079 0 - 7966 H2O 1984 H2O O1 4 -0.847600 15.9994 0 - 7967 H2O 1984 H2O H1 3 0.423800 1.0079 0 - 7968 H2O 1984 H2O H2 3 0.423800 1.0079 0 - 7969 H2O 1985 H2O O1 4 -0.847600 15.9994 0 - 7970 H2O 1985 H2O H1 3 0.423800 1.0079 0 - 7971 H2O 1985 H2O H2 3 0.423800 1.0079 0 - 7972 H2O 1986 H2O O1 4 -0.847600 15.9994 0 - 7973 H2O 1986 H2O H1 3 0.423800 1.0079 0 - 7974 H2O 1986 H2O H2 3 0.423800 1.0079 0 - 7975 H2O 1987 H2O O1 4 -0.847600 15.9994 0 - 7976 H2O 1987 H2O H1 3 0.423800 1.0079 0 - 7977 H2O 1987 H2O H2 3 0.423800 1.0079 0 - 7978 H2O 1988 H2O O1 4 -0.847600 15.9994 0 - 7979 H2O 1988 H2O H1 3 0.423800 1.0079 0 - 7980 H2O 1988 H2O H2 3 0.423800 1.0079 0 - 7981 H2O 1989 H2O O1 4 -0.847600 15.9994 0 - 7982 H2O 1989 H2O H1 3 0.423800 1.0079 0 - 7983 H2O 1989 H2O H2 3 0.423800 1.0079 0 - 7984 H2O 1990 H2O O1 4 -0.847600 15.9994 0 - 7985 H2O 1990 H2O H1 3 0.423800 1.0079 0 - 7986 H2O 1990 H2O H2 3 0.423800 1.0079 0 - 7987 H2O 1991 H2O O1 4 -0.847600 15.9994 0 - 7988 H2O 1991 H2O H1 3 0.423800 1.0079 0 - 7989 H2O 1991 H2O H2 3 0.423800 1.0079 0 - 7990 H2O 1992 H2O O1 4 -0.847600 15.9994 0 - 7991 H2O 1992 H2O H1 3 0.423800 1.0079 0 - 7992 H2O 1992 H2O H2 3 0.423800 1.0079 0 - 7993 H2O 1993 H2O O1 4 -0.847600 15.9994 0 - 7994 H2O 1993 H2O H1 3 0.423800 1.0079 0 - 7995 H2O 1993 H2O H2 3 0.423800 1.0079 0 - 7996 H2O 1994 H2O O1 4 -0.847600 15.9994 0 - 7997 H2O 1994 H2O H1 3 0.423800 1.0079 0 - 7998 H2O 1994 H2O H2 3 0.423800 1.0079 0 - 7999 H2O 1995 H2O O1 4 -0.847600 15.9994 0 - 8000 H2O 1995 H2O H1 3 0.423800 1.0079 0 - 8001 H2O 1995 H2O H2 3 0.423800 1.0079 0 - 8002 H2O 1996 H2O O1 4 -0.847600 15.9994 0 - 8003 H2O 1996 H2O H1 3 0.423800 1.0079 0 - 8004 H2O 1996 H2O H2 3 0.423800 1.0079 0 - 8005 H2O 1997 H2O O1 4 -0.847600 15.9994 0 - 8006 H2O 1997 H2O H1 3 0.423800 1.0079 0 - 8007 H2O 1997 H2O H2 3 0.423800 1.0079 0 - 8008 H2O 1998 H2O O1 4 -0.847600 15.9994 0 - 8009 H2O 1998 H2O H1 3 0.423800 1.0079 0 - 8010 H2O 1998 H2O H2 3 0.423800 1.0079 0 - 8011 H2O 1999 H2O O1 4 -0.847600 15.9994 0 - 8012 H2O 1999 H2O H1 3 0.423800 1.0079 0 - 8013 H2O 1999 H2O H2 3 0.423800 1.0079 0 - 8014 H2O 2000 H2O O1 4 -0.847600 15.9994 0 - 8015 H2O 2000 H2O H1 3 0.423800 1.0079 0 - 8016 H2O 2000 H2O H2 3 0.423800 1.0079 0 - 8017 H2O 2001 H2O O1 4 -0.847600 15.9994 0 - 8018 H2O 2001 H2O H1 3 0.423800 1.0079 0 - 8019 H2O 2001 H2O H2 3 0.423800 1.0079 0 - 8020 H2O 2002 H2O O1 4 -0.847600 15.9994 0 - 8021 H2O 2002 H2O H1 3 0.423800 1.0079 0 - 8022 H2O 2002 H2O H2 3 0.423800 1.0079 0 - 8023 H2O 2003 H2O O1 4 -0.847600 15.9994 0 - 8024 H2O 2003 H2O H1 3 0.423800 1.0079 0 - 8025 H2O 2003 H2O H2 3 0.423800 1.0079 0 - 8026 H2O 2004 H2O O1 4 -0.847600 15.9994 0 - 8027 H2O 2004 H2O H1 3 0.423800 1.0079 0 - 8028 H2O 2004 H2O H2 3 0.423800 1.0079 0 - 8029 H2O 2005 H2O O1 4 -0.847600 15.9994 0 - 8030 H2O 2005 H2O H1 3 0.423800 1.0079 0 - 8031 H2O 2005 H2O H2 3 0.423800 1.0079 0 - 8032 H2O 2006 H2O O1 4 -0.847600 15.9994 0 - 8033 H2O 2006 H2O H1 3 0.423800 1.0079 0 - 8034 H2O 2006 H2O H2 3 0.423800 1.0079 0 - 8035 H2O 2007 H2O O1 4 -0.847600 15.9994 0 - 8036 H2O 2007 H2O H1 3 0.423800 1.0079 0 - 8037 H2O 2007 H2O H2 3 0.423800 1.0079 0 - 8038 H2O 2008 H2O O1 4 -0.847600 15.9994 0 - 8039 H2O 2008 H2O H1 3 0.423800 1.0079 0 - 8040 H2O 2008 H2O H2 3 0.423800 1.0079 0 - 8041 H2O 2009 H2O O1 4 -0.847600 15.9994 0 - 8042 H2O 2009 H2O H1 3 0.423800 1.0079 0 - 8043 H2O 2009 H2O H2 3 0.423800 1.0079 0 - 8044 H2O 2010 H2O O1 4 -0.847600 15.9994 0 - 8045 H2O 2010 H2O H1 3 0.423800 1.0079 0 - 8046 H2O 2010 H2O H2 3 0.423800 1.0079 0 - 8047 H2O 2011 H2O O1 4 -0.847600 15.9994 0 - 8048 H2O 2011 H2O H1 3 0.423800 1.0079 0 - 8049 H2O 2011 H2O H2 3 0.423800 1.0079 0 - 8050 H2O 2012 H2O O1 4 -0.847600 15.9994 0 - 8051 H2O 2012 H2O H1 3 0.423800 1.0079 0 - 8052 H2O 2012 H2O H2 3 0.423800 1.0079 0 - 8053 H2O 2013 H2O O1 4 -0.847600 15.9994 0 - 8054 H2O 2013 H2O H1 3 0.423800 1.0079 0 - 8055 H2O 2013 H2O H2 3 0.423800 1.0079 0 - 8056 H2O 2014 H2O O1 4 -0.847600 15.9994 0 - 8057 H2O 2014 H2O H1 3 0.423800 1.0079 0 - 8058 H2O 2014 H2O H2 3 0.423800 1.0079 0 - 8059 H2O 2015 H2O O1 4 -0.847600 15.9994 0 - 8060 H2O 2015 H2O H1 3 0.423800 1.0079 0 - 8061 H2O 2015 H2O H2 3 0.423800 1.0079 0 - 8062 H2O 2016 H2O O1 4 -0.847600 15.9994 0 - 8063 H2O 2016 H2O H1 3 0.423800 1.0079 0 - 8064 H2O 2016 H2O H2 3 0.423800 1.0079 0 - 8065 H2O 2017 H2O O1 4 -0.847600 15.9994 0 - 8066 H2O 2017 H2O H1 3 0.423800 1.0079 0 - 8067 H2O 2017 H2O H2 3 0.423800 1.0079 0 - 8068 H2O 2018 H2O O1 4 -0.847600 15.9994 0 - 8069 H2O 2018 H2O H1 3 0.423800 1.0079 0 - 8070 H2O 2018 H2O H2 3 0.423800 1.0079 0 - 8071 H2O 2019 H2O O1 4 -0.847600 15.9994 0 - 8072 H2O 2019 H2O H1 3 0.423800 1.0079 0 - 8073 H2O 2019 H2O H2 3 0.423800 1.0079 0 - 8074 H2O 2020 H2O O1 4 -0.847600 15.9994 0 - 8075 H2O 2020 H2O H1 3 0.423800 1.0079 0 - 8076 H2O 2020 H2O H2 3 0.423800 1.0079 0 - 8077 H2O 2021 H2O O1 4 -0.847600 15.9994 0 - 8078 H2O 2021 H2O H1 3 0.423800 1.0079 0 - 8079 H2O 2021 H2O H2 3 0.423800 1.0079 0 - 8080 H2O 2022 H2O O1 4 -0.847600 15.9994 0 - 8081 H2O 2022 H2O H1 3 0.423800 1.0079 0 - 8082 H2O 2022 H2O H2 3 0.423800 1.0079 0 - 8083 H2O 2023 H2O O1 4 -0.847600 15.9994 0 - 8084 H2O 2023 H2O H1 3 0.423800 1.0079 0 - 8085 H2O 2023 H2O H2 3 0.423800 1.0079 0 - 8086 H2O 2024 H2O O1 4 -0.847600 15.9994 0 - 8087 H2O 2024 H2O H1 3 0.423800 1.0079 0 - 8088 H2O 2024 H2O H2 3 0.423800 1.0079 0 - 8089 H2O 2025 H2O O1 4 -0.847600 15.9994 0 - 8090 H2O 2025 H2O H1 3 0.423800 1.0079 0 - 8091 H2O 2025 H2O H2 3 0.423800 1.0079 0 - 8092 H2O 2026 H2O O1 4 -0.847600 15.9994 0 - 8093 H2O 2026 H2O H1 3 0.423800 1.0079 0 - 8094 H2O 2026 H2O H2 3 0.423800 1.0079 0 - 8095 H2O 2027 H2O O1 4 -0.847600 15.9994 0 - 8096 H2O 2027 H2O H1 3 0.423800 1.0079 0 - 8097 H2O 2027 H2O H2 3 0.423800 1.0079 0 - 8098 H2O 2028 H2O O1 4 -0.847600 15.9994 0 - 8099 H2O 2028 H2O H1 3 0.423800 1.0079 0 - 8100 H2O 2028 H2O H2 3 0.423800 1.0079 0 - 8101 H2O 2029 H2O O1 4 -0.847600 15.9994 0 - 8102 H2O 2029 H2O H1 3 0.423800 1.0079 0 - 8103 H2O 2029 H2O H2 3 0.423800 1.0079 0 - 8104 H2O 2030 H2O O1 4 -0.847600 15.9994 0 - 8105 H2O 2030 H2O H1 3 0.423800 1.0079 0 - 8106 H2O 2030 H2O H2 3 0.423800 1.0079 0 - 8107 H2O 2031 H2O O1 4 -0.847600 15.9994 0 - 8108 H2O 2031 H2O H1 3 0.423800 1.0079 0 - 8109 H2O 2031 H2O H2 3 0.423800 1.0079 0 - 8110 H2O 2032 H2O O1 4 -0.847600 15.9994 0 - 8111 H2O 2032 H2O H1 3 0.423800 1.0079 0 - 8112 H2O 2032 H2O H2 3 0.423800 1.0079 0 - 8113 H2O 2033 H2O O1 4 -0.847600 15.9994 0 - 8114 H2O 2033 H2O H1 3 0.423800 1.0079 0 - 8115 H2O 2033 H2O H2 3 0.423800 1.0079 0 - 8116 H2O 2034 H2O O1 4 -0.847600 15.9994 0 - 8117 H2O 2034 H2O H1 3 0.423800 1.0079 0 - 8118 H2O 2034 H2O H2 3 0.423800 1.0079 0 - 8119 H2O 2035 H2O O1 4 -0.847600 15.9994 0 - 8120 H2O 2035 H2O H1 3 0.423800 1.0079 0 - 8121 H2O 2035 H2O H2 3 0.423800 1.0079 0 - 8122 H2O 2036 H2O O1 4 -0.847600 15.9994 0 - 8123 H2O 2036 H2O H1 3 0.423800 1.0079 0 - 8124 H2O 2036 H2O H2 3 0.423800 1.0079 0 - 8125 H2O 2037 H2O O1 4 -0.847600 15.9994 0 - 8126 H2O 2037 H2O H1 3 0.423800 1.0079 0 - 8127 H2O 2037 H2O H2 3 0.423800 1.0079 0 - 8128 H2O 2038 H2O O1 4 -0.847600 15.9994 0 - 8129 H2O 2038 H2O H1 3 0.423800 1.0079 0 - 8130 H2O 2038 H2O H2 3 0.423800 1.0079 0 - 8131 H2O 2039 H2O O1 4 -0.847600 15.9994 0 - 8132 H2O 2039 H2O H1 3 0.423800 1.0079 0 - 8133 H2O 2039 H2O H2 3 0.423800 1.0079 0 - 8134 H2O 2040 H2O O1 4 -0.847600 15.9994 0 - 8135 H2O 2040 H2O H1 3 0.423800 1.0079 0 - 8136 H2O 2040 H2O H2 3 0.423800 1.0079 0 - 8137 H2O 2041 H2O O1 4 -0.847600 15.9994 0 - 8138 H2O 2041 H2O H1 3 0.423800 1.0079 0 - 8139 H2O 2041 H2O H2 3 0.423800 1.0079 0 - 8140 H2O 2042 H2O O1 4 -0.847600 15.9994 0 - 8141 H2O 2042 H2O H1 3 0.423800 1.0079 0 - 8142 H2O 2042 H2O H2 3 0.423800 1.0079 0 - 8143 H2O 2043 H2O O1 4 -0.847600 15.9994 0 - 8144 H2O 2043 H2O H1 3 0.423800 1.0079 0 - 8145 H2O 2043 H2O H2 3 0.423800 1.0079 0 - 8146 H2O 2044 H2O O1 4 -0.847600 15.9994 0 - 8147 H2O 2044 H2O H1 3 0.423800 1.0079 0 - 8148 H2O 2044 H2O H2 3 0.423800 1.0079 0 - 8149 H2O 2045 H2O O1 4 -0.847600 15.9994 0 - 8150 H2O 2045 H2O H1 3 0.423800 1.0079 0 - 8151 H2O 2045 H2O H2 3 0.423800 1.0079 0 - 8152 H2O 2046 H2O O1 4 -0.847600 15.9994 0 - 8153 H2O 2046 H2O H1 3 0.423800 1.0079 0 - 8154 H2O 2046 H2O H2 3 0.423800 1.0079 0 - 8155 H2O 2047 H2O O1 4 -0.847600 15.9994 0 - 8156 H2O 2047 H2O H1 3 0.423800 1.0079 0 - 8157 H2O 2047 H2O H2 3 0.423800 1.0079 0 - 8158 H2O 2048 H2O O1 4 -0.847600 15.9994 0 - 8159 H2O 2048 H2O H1 3 0.423800 1.0079 0 - 8160 H2O 2048 H2O H2 3 0.423800 1.0079 0 - 8161 H2O 2049 H2O O1 4 -0.847600 15.9994 0 - 8162 H2O 2049 H2O H1 3 0.423800 1.0079 0 - 8163 H2O 2049 H2O H2 3 0.423800 1.0079 0 - 8164 H2O 2050 H2O O1 4 -0.847600 15.9994 0 - 8165 H2O 2050 H2O H1 3 0.423800 1.0079 0 - 8166 H2O 2050 H2O H2 3 0.423800 1.0079 0 - 8167 H2O 2051 H2O O1 4 -0.847600 15.9994 0 - 8168 H2O 2051 H2O H1 3 0.423800 1.0079 0 - 8169 H2O 2051 H2O H2 3 0.423800 1.0079 0 - 8170 H2O 2052 H2O O1 4 -0.847600 15.9994 0 - 8171 H2O 2052 H2O H1 3 0.423800 1.0079 0 - 8172 H2O 2052 H2O H2 3 0.423800 1.0079 0 - 8173 H2O 2053 H2O O1 4 -0.847600 15.9994 0 - 8174 H2O 2053 H2O H1 3 0.423800 1.0079 0 - 8175 H2O 2053 H2O H2 3 0.423800 1.0079 0 - 8176 H2O 2054 H2O O1 4 -0.847600 15.9994 0 - 8177 H2O 2054 H2O H1 3 0.423800 1.0079 0 - 8178 H2O 2054 H2O H2 3 0.423800 1.0079 0 - 8179 H2O 2055 H2O O1 4 -0.847600 15.9994 0 - 8180 H2O 2055 H2O H1 3 0.423800 1.0079 0 - 8181 H2O 2055 H2O H2 3 0.423800 1.0079 0 - 8182 H2O 2056 H2O O1 4 -0.847600 15.9994 0 - 8183 H2O 2056 H2O H1 3 0.423800 1.0079 0 - 8184 H2O 2056 H2O H2 3 0.423800 1.0079 0 - 8185 H2O 2057 H2O O1 4 -0.847600 15.9994 0 - 8186 H2O 2057 H2O H1 3 0.423800 1.0079 0 - 8187 H2O 2057 H2O H2 3 0.423800 1.0079 0 - 8188 H2O 2058 H2O O1 4 -0.847600 15.9994 0 - 8189 H2O 2058 H2O H1 3 0.423800 1.0079 0 - 8190 H2O 2058 H2O H2 3 0.423800 1.0079 0 - 8191 H2O 2059 H2O O1 4 -0.847600 15.9994 0 - 8192 H2O 2059 H2O H1 3 0.423800 1.0079 0 - 8193 H2O 2059 H2O H2 3 0.423800 1.0079 0 - 8194 H2O 2060 H2O O1 4 -0.847600 15.9994 0 - 8195 H2O 2060 H2O H1 3 0.423800 1.0079 0 - 8196 H2O 2060 H2O H2 3 0.423800 1.0079 0 - 8197 H2O 2061 H2O O1 4 -0.847600 15.9994 0 - 8198 H2O 2061 H2O H1 3 0.423800 1.0079 0 - 8199 H2O 2061 H2O H2 3 0.423800 1.0079 0 - 8200 H2O 2062 H2O O1 4 -0.847600 15.9994 0 - 8201 H2O 2062 H2O H1 3 0.423800 1.0079 0 - 8202 H2O 2062 H2O H2 3 0.423800 1.0079 0 - 8203 H2O 2063 H2O O1 4 -0.847600 15.9994 0 - 8204 H2O 2063 H2O H1 3 0.423800 1.0079 0 - 8205 H2O 2063 H2O H2 3 0.423800 1.0079 0 - 8206 H2O 2064 H2O O1 4 -0.847600 15.9994 0 - 8207 H2O 2064 H2O H1 3 0.423800 1.0079 0 - 8208 H2O 2064 H2O H2 3 0.423800 1.0079 0 - 8209 H2O 2065 H2O O1 4 -0.847600 15.9994 0 - 8210 H2O 2065 H2O H1 3 0.423800 1.0079 0 - 8211 H2O 2065 H2O H2 3 0.423800 1.0079 0 - 8212 H2O 2066 H2O O1 4 -0.847600 15.9994 0 - 8213 H2O 2066 H2O H1 3 0.423800 1.0079 0 - 8214 H2O 2066 H2O H2 3 0.423800 1.0079 0 - 8215 H2O 2067 H2O O1 4 -0.847600 15.9994 0 - 8216 H2O 2067 H2O H1 3 0.423800 1.0079 0 - 8217 H2O 2067 H2O H2 3 0.423800 1.0079 0 - 8218 H2O 2068 H2O O1 4 -0.847600 15.9994 0 - 8219 H2O 2068 H2O H1 3 0.423800 1.0079 0 - 8220 H2O 2068 H2O H2 3 0.423800 1.0079 0 - 8221 H2O 2069 H2O O1 4 -0.847600 15.9994 0 - 8222 H2O 2069 H2O H1 3 0.423800 1.0079 0 - 8223 H2O 2069 H2O H2 3 0.423800 1.0079 0 - 8224 H2O 2070 H2O O1 4 -0.847600 15.9994 0 - 8225 H2O 2070 H2O H1 3 0.423800 1.0079 0 - 8226 H2O 2070 H2O H2 3 0.423800 1.0079 0 - 8227 H2O 2071 H2O O1 4 -0.847600 15.9994 0 - 8228 H2O 2071 H2O H1 3 0.423800 1.0079 0 - 8229 H2O 2071 H2O H2 3 0.423800 1.0079 0 - 8230 H2O 2072 H2O O1 4 -0.847600 15.9994 0 - 8231 H2O 2072 H2O H1 3 0.423800 1.0079 0 - 8232 H2O 2072 H2O H2 3 0.423800 1.0079 0 - 8233 H2O 2073 H2O O1 4 -0.847600 15.9994 0 - 8234 H2O 2073 H2O H1 3 0.423800 1.0079 0 - 8235 H2O 2073 H2O H2 3 0.423800 1.0079 0 - 8236 H2O 2074 H2O O1 4 -0.847600 15.9994 0 - 8237 H2O 2074 H2O H1 3 0.423800 1.0079 0 - 8238 H2O 2074 H2O H2 3 0.423800 1.0079 0 - 8239 H2O 2075 H2O O1 4 -0.847600 15.9994 0 - 8240 H2O 2075 H2O H1 3 0.423800 1.0079 0 - 8241 H2O 2075 H2O H2 3 0.423800 1.0079 0 - 8242 H2O 2076 H2O O1 4 -0.847600 15.9994 0 - 8243 H2O 2076 H2O H1 3 0.423800 1.0079 0 - 8244 H2O 2076 H2O H2 3 0.423800 1.0079 0 - 8245 H2O 2077 H2O O1 4 -0.847600 15.9994 0 - 8246 H2O 2077 H2O H1 3 0.423800 1.0079 0 - 8247 H2O 2077 H2O H2 3 0.423800 1.0079 0 - 8248 H2O 2078 H2O O1 4 -0.847600 15.9994 0 - 8249 H2O 2078 H2O H1 3 0.423800 1.0079 0 - 8250 H2O 2078 H2O H2 3 0.423800 1.0079 0 - 8251 H2O 2079 H2O O1 4 -0.847600 15.9994 0 - 8252 H2O 2079 H2O H1 3 0.423800 1.0079 0 - 8253 H2O 2079 H2O H2 3 0.423800 1.0079 0 - 8254 H2O 2080 H2O O1 4 -0.847600 15.9994 0 - 8255 H2O 2080 H2O H1 3 0.423800 1.0079 0 - 8256 H2O 2080 H2O H2 3 0.423800 1.0079 0 - 8257 H2O 2081 H2O O1 4 -0.847600 15.9994 0 - 8258 H2O 2081 H2O H1 3 0.423800 1.0079 0 - 8259 H2O 2081 H2O H2 3 0.423800 1.0079 0 - 8260 H2O 2082 H2O O1 4 -0.847600 15.9994 0 - 8261 H2O 2082 H2O H1 3 0.423800 1.0079 0 - 8262 H2O 2082 H2O H2 3 0.423800 1.0079 0 - 8263 H2O 2083 H2O O1 4 -0.847600 15.9994 0 - 8264 H2O 2083 H2O H1 3 0.423800 1.0079 0 - 8265 H2O 2083 H2O H2 3 0.423800 1.0079 0 - 8266 H2O 2084 H2O O1 4 -0.847600 15.9994 0 - 8267 H2O 2084 H2O H1 3 0.423800 1.0079 0 - 8268 H2O 2084 H2O H2 3 0.423800 1.0079 0 - 8269 H2O 2085 H2O O1 4 -0.847600 15.9994 0 - 8270 H2O 2085 H2O H1 3 0.423800 1.0079 0 - 8271 H2O 2085 H2O H2 3 0.423800 1.0079 0 - 8272 H2O 2086 H2O O1 4 -0.847600 15.9994 0 - 8273 H2O 2086 H2O H1 3 0.423800 1.0079 0 - 8274 H2O 2086 H2O H2 3 0.423800 1.0079 0 - 8275 H2O 2087 H2O O1 4 -0.847600 15.9994 0 - 8276 H2O 2087 H2O H1 3 0.423800 1.0079 0 - 8277 H2O 2087 H2O H2 3 0.423800 1.0079 0 - 8278 H2O 2088 H2O O1 4 -0.847600 15.9994 0 - 8279 H2O 2088 H2O H1 3 0.423800 1.0079 0 - 8280 H2O 2088 H2O H2 3 0.423800 1.0079 0 - 8281 H2O 2089 H2O O1 4 -0.847600 15.9994 0 - 8282 H2O 2089 H2O H1 3 0.423800 1.0079 0 - 8283 H2O 2089 H2O H2 3 0.423800 1.0079 0 - 8284 H2O 2090 H2O O1 4 -0.847600 15.9994 0 - 8285 H2O 2090 H2O H1 3 0.423800 1.0079 0 - 8286 H2O 2090 H2O H2 3 0.423800 1.0079 0 - 8287 H2O 2091 H2O O1 4 -0.847600 15.9994 0 - 8288 H2O 2091 H2O H1 3 0.423800 1.0079 0 - 8289 H2O 2091 H2O H2 3 0.423800 1.0079 0 - 8290 H2O 2092 H2O O1 4 -0.847600 15.9994 0 - 8291 H2O 2092 H2O H1 3 0.423800 1.0079 0 - 8292 H2O 2092 H2O H2 3 0.423800 1.0079 0 - 8293 H2O 2093 H2O O1 4 -0.847600 15.9994 0 - 8294 H2O 2093 H2O H1 3 0.423800 1.0079 0 - 8295 H2O 2093 H2O H2 3 0.423800 1.0079 0 - 8296 H2O 2094 H2O O1 4 -0.847600 15.9994 0 - 8297 H2O 2094 H2O H1 3 0.423800 1.0079 0 - 8298 H2O 2094 H2O H2 3 0.423800 1.0079 0 - 8299 H2O 2095 H2O O1 4 -0.847600 15.9994 0 - 8300 H2O 2095 H2O H1 3 0.423800 1.0079 0 - 8301 H2O 2095 H2O H2 3 0.423800 1.0079 0 - 8302 H2O 2096 H2O O1 4 -0.847600 15.9994 0 - 8303 H2O 2096 H2O H1 3 0.423800 1.0079 0 - 8304 H2O 2096 H2O H2 3 0.423800 1.0079 0 - 8305 H2O 2097 H2O O1 4 -0.847600 15.9994 0 - 8306 H2O 2097 H2O H1 3 0.423800 1.0079 0 - 8307 H2O 2097 H2O H2 3 0.423800 1.0079 0 - 8308 H2O 2098 H2O O1 4 -0.847600 15.9994 0 - 8309 H2O 2098 H2O H1 3 0.423800 1.0079 0 - 8310 H2O 2098 H2O H2 3 0.423800 1.0079 0 - 8311 H2O 2099 H2O O1 4 -0.847600 15.9994 0 - 8312 H2O 2099 H2O H1 3 0.423800 1.0079 0 - 8313 H2O 2099 H2O H2 3 0.423800 1.0079 0 - 8314 H2O 2100 H2O O1 4 -0.847600 15.9994 0 - 8315 H2O 2100 H2O H1 3 0.423800 1.0079 0 - 8316 H2O 2100 H2O H2 3 0.423800 1.0079 0 - 8317 H2O 2101 H2O O1 4 -0.847600 15.9994 0 - 8318 H2O 2101 H2O H1 3 0.423800 1.0079 0 - 8319 H2O 2101 H2O H2 3 0.423800 1.0079 0 - 8320 H2O 2102 H2O O1 4 -0.847600 15.9994 0 - 8321 H2O 2102 H2O H1 3 0.423800 1.0079 0 - 8322 H2O 2102 H2O H2 3 0.423800 1.0079 0 - 8323 H2O 2103 H2O O1 4 -0.847600 15.9994 0 - 8324 H2O 2103 H2O H1 3 0.423800 1.0079 0 - 8325 H2O 2103 H2O H2 3 0.423800 1.0079 0 - 8326 H2O 2104 H2O O1 4 -0.847600 15.9994 0 - 8327 H2O 2104 H2O H1 3 0.423800 1.0079 0 - 8328 H2O 2104 H2O H2 3 0.423800 1.0079 0 - 8329 H2O 2105 H2O O1 4 -0.847600 15.9994 0 - 8330 H2O 2105 H2O H1 3 0.423800 1.0079 0 - 8331 H2O 2105 H2O H2 3 0.423800 1.0079 0 - 8332 H2O 2106 H2O O1 4 -0.847600 15.9994 0 - 8333 H2O 2106 H2O H1 3 0.423800 1.0079 0 - 8334 H2O 2106 H2O H2 3 0.423800 1.0079 0 - 8335 H2O 2107 H2O O1 4 -0.847600 15.9994 0 - 8336 H2O 2107 H2O H1 3 0.423800 1.0079 0 - 8337 H2O 2107 H2O H2 3 0.423800 1.0079 0 - 8338 H2O 2108 H2O O1 4 -0.847600 15.9994 0 - 8339 H2O 2108 H2O H1 3 0.423800 1.0079 0 - 8340 H2O 2108 H2O H2 3 0.423800 1.0079 0 - 8341 H2O 2109 H2O O1 4 -0.847600 15.9994 0 - 8342 H2O 2109 H2O H1 3 0.423800 1.0079 0 - 8343 H2O 2109 H2O H2 3 0.423800 1.0079 0 - 8344 H2O 2110 H2O O1 4 -0.847600 15.9994 0 - 8345 H2O 2110 H2O H1 3 0.423800 1.0079 0 - 8346 H2O 2110 H2O H2 3 0.423800 1.0079 0 - 8347 H2O 2111 H2O O1 4 -0.847600 15.9994 0 - 8348 H2O 2111 H2O H1 3 0.423800 1.0079 0 - 8349 H2O 2111 H2O H2 3 0.423800 1.0079 0 - 8350 H2O 2112 H2O O1 4 -0.847600 15.9994 0 - 8351 H2O 2112 H2O H1 3 0.423800 1.0079 0 - 8352 H2O 2112 H2O H2 3 0.423800 1.0079 0 - 8353 H2O 2113 H2O O1 4 -0.847600 15.9994 0 - 8354 H2O 2113 H2O H1 3 0.423800 1.0079 0 - 8355 H2O 2113 H2O H2 3 0.423800 1.0079 0 - 8356 H2O 2114 H2O O1 4 -0.847600 15.9994 0 - 8357 H2O 2114 H2O H1 3 0.423800 1.0079 0 - 8358 H2O 2114 H2O H2 3 0.423800 1.0079 0 - 8359 H2O 2115 H2O O1 4 -0.847600 15.9994 0 - 8360 H2O 2115 H2O H1 3 0.423800 1.0079 0 - 8361 H2O 2115 H2O H2 3 0.423800 1.0079 0 - 8362 H2O 2116 H2O O1 4 -0.847600 15.9994 0 - 8363 H2O 2116 H2O H1 3 0.423800 1.0079 0 - 8364 H2O 2116 H2O H2 3 0.423800 1.0079 0 - 8365 H2O 2117 H2O O1 4 -0.847600 15.9994 0 - 8366 H2O 2117 H2O H1 3 0.423800 1.0079 0 - 8367 H2O 2117 H2O H2 3 0.423800 1.0079 0 - 8368 H2O 2118 H2O O1 4 -0.847600 15.9994 0 - 8369 H2O 2118 H2O H1 3 0.423800 1.0079 0 - 8370 H2O 2118 H2O H2 3 0.423800 1.0079 0 - 8371 H2O 2119 H2O O1 4 -0.847600 15.9994 0 - 8372 H2O 2119 H2O H1 3 0.423800 1.0079 0 - 8373 H2O 2119 H2O H2 3 0.423800 1.0079 0 - 8374 H2O 2120 H2O O1 4 -0.847600 15.9994 0 - 8375 H2O 2120 H2O H1 3 0.423800 1.0079 0 - 8376 H2O 2120 H2O H2 3 0.423800 1.0079 0 - 8377 H2O 2121 H2O O1 4 -0.847600 15.9994 0 - 8378 H2O 2121 H2O H1 3 0.423800 1.0079 0 - 8379 H2O 2121 H2O H2 3 0.423800 1.0079 0 - 8380 H2O 2122 H2O O1 4 -0.847600 15.9994 0 - 8381 H2O 2122 H2O H1 3 0.423800 1.0079 0 - 8382 H2O 2122 H2O H2 3 0.423800 1.0079 0 - 8383 H2O 2123 H2O O1 4 -0.847600 15.9994 0 - 8384 H2O 2123 H2O H1 3 0.423800 1.0079 0 - 8385 H2O 2123 H2O H2 3 0.423800 1.0079 0 - 8386 H2O 2124 H2O O1 4 -0.847600 15.9994 0 - 8387 H2O 2124 H2O H1 3 0.423800 1.0079 0 - 8388 H2O 2124 H2O H2 3 0.423800 1.0079 0 - 8389 H2O 2125 H2O O1 4 -0.847600 15.9994 0 - 8390 H2O 2125 H2O H1 3 0.423800 1.0079 0 - 8391 H2O 2125 H2O H2 3 0.423800 1.0079 0 - 8392 H2O 2126 H2O O1 4 -0.847600 15.9994 0 - 8393 H2O 2126 H2O H1 3 0.423800 1.0079 0 - 8394 H2O 2126 H2O H2 3 0.423800 1.0079 0 - 8395 H2O 2127 H2O O1 4 -0.847600 15.9994 0 - 8396 H2O 2127 H2O H1 3 0.423800 1.0079 0 - 8397 H2O 2127 H2O H2 3 0.423800 1.0079 0 - 8398 H2O 2128 H2O O1 4 -0.847600 15.9994 0 - 8399 H2O 2128 H2O H1 3 0.423800 1.0079 0 - 8400 H2O 2128 H2O H2 3 0.423800 1.0079 0 - 8401 H2O 2129 H2O O1 4 -0.847600 15.9994 0 - 8402 H2O 2129 H2O H1 3 0.423800 1.0079 0 - 8403 H2O 2129 H2O H2 3 0.423800 1.0079 0 - 8404 H2O 2130 H2O O1 4 -0.847600 15.9994 0 - 8405 H2O 2130 H2O H1 3 0.423800 1.0079 0 - 8406 H2O 2130 H2O H2 3 0.423800 1.0079 0 - 8407 H2O 2131 H2O O1 4 -0.847600 15.9994 0 - 8408 H2O 2131 H2O H1 3 0.423800 1.0079 0 - 8409 H2O 2131 H2O H2 3 0.423800 1.0079 0 - 8410 H2O 2132 H2O O1 4 -0.847600 15.9994 0 - 8411 H2O 2132 H2O H1 3 0.423800 1.0079 0 - 8412 H2O 2132 H2O H2 3 0.423800 1.0079 0 - 8413 H2O 2133 H2O O1 4 -0.847600 15.9994 0 - 8414 H2O 2133 H2O H1 3 0.423800 1.0079 0 - 8415 H2O 2133 H2O H2 3 0.423800 1.0079 0 - 8416 H2O 2134 H2O O1 4 -0.847600 15.9994 0 - 8417 H2O 2134 H2O H1 3 0.423800 1.0079 0 - 8418 H2O 2134 H2O H2 3 0.423800 1.0079 0 - 8419 H2O 2135 H2O O1 4 -0.847600 15.9994 0 - 8420 H2O 2135 H2O H1 3 0.423800 1.0079 0 - 8421 H2O 2135 H2O H2 3 0.423800 1.0079 0 - 8422 H2O 2136 H2O O1 4 -0.847600 15.9994 0 - 8423 H2O 2136 H2O H1 3 0.423800 1.0079 0 - 8424 H2O 2136 H2O H2 3 0.423800 1.0079 0 - 8425 H2O 2137 H2O O1 4 -0.847600 15.9994 0 - 8426 H2O 2137 H2O H1 3 0.423800 1.0079 0 - 8427 H2O 2137 H2O H2 3 0.423800 1.0079 0 - 8428 H2O 2138 H2O O1 4 -0.847600 15.9994 0 - 8429 H2O 2138 H2O H1 3 0.423800 1.0079 0 - 8430 H2O 2138 H2O H2 3 0.423800 1.0079 0 - 8431 H2O 2139 H2O O1 4 -0.847600 15.9994 0 - 8432 H2O 2139 H2O H1 3 0.423800 1.0079 0 - 8433 H2O 2139 H2O H2 3 0.423800 1.0079 0 - 8434 H2O 2140 H2O O1 4 -0.847600 15.9994 0 - 8435 H2O 2140 H2O H1 3 0.423800 1.0079 0 - 8436 H2O 2140 H2O H2 3 0.423800 1.0079 0 - 8437 H2O 2141 H2O O1 4 -0.847600 15.9994 0 - 8438 H2O 2141 H2O H1 3 0.423800 1.0079 0 - 8439 H2O 2141 H2O H2 3 0.423800 1.0079 0 - 8440 H2O 2142 H2O O1 4 -0.847600 15.9994 0 - 8441 H2O 2142 H2O H1 3 0.423800 1.0079 0 - 8442 H2O 2142 H2O H2 3 0.423800 1.0079 0 - 8443 H2O 2143 H2O O1 4 -0.847600 15.9994 0 - 8444 H2O 2143 H2O H1 3 0.423800 1.0079 0 - 8445 H2O 2143 H2O H2 3 0.423800 1.0079 0 - 8446 H2O 2144 H2O O1 4 -0.847600 15.9994 0 - 8447 H2O 2144 H2O H1 3 0.423800 1.0079 0 - 8448 H2O 2144 H2O H2 3 0.423800 1.0079 0 - 8449 H2O 2145 H2O O1 4 -0.847600 15.9994 0 - 8450 H2O 2145 H2O H1 3 0.423800 1.0079 0 - 8451 H2O 2145 H2O H2 3 0.423800 1.0079 0 - 8452 H2O 2146 H2O O1 4 -0.847600 15.9994 0 - 8453 H2O 2146 H2O H1 3 0.423800 1.0079 0 - 8454 H2O 2146 H2O H2 3 0.423800 1.0079 0 - 8455 H2O 2147 H2O O1 4 -0.847600 15.9994 0 - 8456 H2O 2147 H2O H1 3 0.423800 1.0079 0 - 8457 H2O 2147 H2O H2 3 0.423800 1.0079 0 - 8458 H2O 2148 H2O O1 4 -0.847600 15.9994 0 - 8459 H2O 2148 H2O H1 3 0.423800 1.0079 0 - 8460 H2O 2148 H2O H2 3 0.423800 1.0079 0 - 8461 H2O 2149 H2O O1 4 -0.847600 15.9994 0 - 8462 H2O 2149 H2O H1 3 0.423800 1.0079 0 - 8463 H2O 2149 H2O H2 3 0.423800 1.0079 0 - 8464 H2O 2150 H2O O1 4 -0.847600 15.9994 0 - 8465 H2O 2150 H2O H1 3 0.423800 1.0079 0 - 8466 H2O 2150 H2O H2 3 0.423800 1.0079 0 - 8467 H2O 2151 H2O O1 4 -0.847600 15.9994 0 - 8468 H2O 2151 H2O H1 3 0.423800 1.0079 0 - 8469 H2O 2151 H2O H2 3 0.423800 1.0079 0 - 8470 H2O 2152 H2O O1 4 -0.847600 15.9994 0 - 8471 H2O 2152 H2O H1 3 0.423800 1.0079 0 - 8472 H2O 2152 H2O H2 3 0.423800 1.0079 0 - 8473 H2O 2153 H2O O1 4 -0.847600 15.9994 0 - 8474 H2O 2153 H2O H1 3 0.423800 1.0079 0 - 8475 H2O 2153 H2O H2 3 0.423800 1.0079 0 - 8476 H2O 2154 H2O O1 4 -0.847600 15.9994 0 - 8477 H2O 2154 H2O H1 3 0.423800 1.0079 0 - 8478 H2O 2154 H2O H2 3 0.423800 1.0079 0 - 8479 H2O 2155 H2O O1 4 -0.847600 15.9994 0 - 8480 H2O 2155 H2O H1 3 0.423800 1.0079 0 - 8481 H2O 2155 H2O H2 3 0.423800 1.0079 0 - 8482 H2O 2156 H2O O1 4 -0.847600 15.9994 0 - 8483 H2O 2156 H2O H1 3 0.423800 1.0079 0 - 8484 H2O 2156 H2O H2 3 0.423800 1.0079 0 - 8485 H2O 2157 H2O O1 4 -0.847600 15.9994 0 - 8486 H2O 2157 H2O H1 3 0.423800 1.0079 0 - 8487 H2O 2157 H2O H2 3 0.423800 1.0079 0 - 8488 H2O 2158 H2O O1 4 -0.847600 15.9994 0 - 8489 H2O 2158 H2O H1 3 0.423800 1.0079 0 - 8490 H2O 2158 H2O H2 3 0.423800 1.0079 0 - 8491 H2O 2159 H2O O1 4 -0.847600 15.9994 0 - 8492 H2O 2159 H2O H1 3 0.423800 1.0079 0 - 8493 H2O 2159 H2O H2 3 0.423800 1.0079 0 - 8494 H2O 2160 H2O O1 4 -0.847600 15.9994 0 - 8495 H2O 2160 H2O H1 3 0.423800 1.0079 0 - 8496 H2O 2160 H2O H2 3 0.423800 1.0079 0 - 8497 H2O 2161 H2O O1 4 -0.847600 15.9994 0 - 8498 H2O 2161 H2O H1 3 0.423800 1.0079 0 - 8499 H2O 2161 H2O H2 3 0.423800 1.0079 0 - 8500 H2O 2162 H2O O1 4 -0.847600 15.9994 0 - 8501 H2O 2162 H2O H1 3 0.423800 1.0079 0 - 8502 H2O 2162 H2O H2 3 0.423800 1.0079 0 - 8503 H2O 2163 H2O O1 4 -0.847600 15.9994 0 - 8504 H2O 2163 H2O H1 3 0.423800 1.0079 0 - 8505 H2O 2163 H2O H2 3 0.423800 1.0079 0 - 8506 H2O 2164 H2O O1 4 -0.847600 15.9994 0 - 8507 H2O 2164 H2O H1 3 0.423800 1.0079 0 - 8508 H2O 2164 H2O H2 3 0.423800 1.0079 0 - 8509 H2O 2165 H2O O1 4 -0.847600 15.9994 0 - 8510 H2O 2165 H2O H1 3 0.423800 1.0079 0 - 8511 H2O 2165 H2O H2 3 0.423800 1.0079 0 - 8512 H2O 2166 H2O O1 4 -0.847600 15.9994 0 - 8513 H2O 2166 H2O H1 3 0.423800 1.0079 0 - 8514 H2O 2166 H2O H2 3 0.423800 1.0079 0 - 8515 H2O 2167 H2O O1 4 -0.847600 15.9994 0 - 8516 H2O 2167 H2O H1 3 0.423800 1.0079 0 - 8517 H2O 2167 H2O H2 3 0.423800 1.0079 0 - 8518 H2O 2168 H2O O1 4 -0.847600 15.9994 0 - 8519 H2O 2168 H2O H1 3 0.423800 1.0079 0 - 8520 H2O 2168 H2O H2 3 0.423800 1.0079 0 - 8521 H2O 2169 H2O O1 4 -0.847600 15.9994 0 - 8522 H2O 2169 H2O H1 3 0.423800 1.0079 0 - 8523 H2O 2169 H2O H2 3 0.423800 1.0079 0 - 8524 H2O 2170 H2O O1 4 -0.847600 15.9994 0 - 8525 H2O 2170 H2O H1 3 0.423800 1.0079 0 - 8526 H2O 2170 H2O H2 3 0.423800 1.0079 0 - 8527 H2O 2171 H2O O1 4 -0.847600 15.9994 0 - 8528 H2O 2171 H2O H1 3 0.423800 1.0079 0 - 8529 H2O 2171 H2O H2 3 0.423800 1.0079 0 - 8530 H2O 2172 H2O O1 4 -0.847600 15.9994 0 - 8531 H2O 2172 H2O H1 3 0.423800 1.0079 0 - 8532 H2O 2172 H2O H2 3 0.423800 1.0079 0 - 8533 H2O 2173 H2O O1 4 -0.847600 15.9994 0 - 8534 H2O 2173 H2O H1 3 0.423800 1.0079 0 - 8535 H2O 2173 H2O H2 3 0.423800 1.0079 0 - 8536 H2O 2174 H2O O1 4 -0.847600 15.9994 0 - 8537 H2O 2174 H2O H1 3 0.423800 1.0079 0 - 8538 H2O 2174 H2O H2 3 0.423800 1.0079 0 - 8539 H2O 2175 H2O O1 4 -0.847600 15.9994 0 - 8540 H2O 2175 H2O H1 3 0.423800 1.0079 0 - 8541 H2O 2175 H2O H2 3 0.423800 1.0079 0 - 8542 H2O 2176 H2O O1 4 -0.847600 15.9994 0 - 8543 H2O 2176 H2O H1 3 0.423800 1.0079 0 - 8544 H2O 2176 H2O H2 3 0.423800 1.0079 0 - 8545 H2O 2177 H2O O1 4 -0.847600 15.9994 0 - 8546 H2O 2177 H2O H1 3 0.423800 1.0079 0 - 8547 H2O 2177 H2O H2 3 0.423800 1.0079 0 - 8548 H2O 2178 H2O O1 4 -0.847600 15.9994 0 - 8549 H2O 2178 H2O H1 3 0.423800 1.0079 0 - 8550 H2O 2178 H2O H2 3 0.423800 1.0079 0 - 8551 H2O 2179 H2O O1 4 -0.847600 15.9994 0 - 8552 H2O 2179 H2O H1 3 0.423800 1.0079 0 - 8553 H2O 2179 H2O H2 3 0.423800 1.0079 0 - 8554 H2O 2180 H2O O1 4 -0.847600 15.9994 0 - 8555 H2O 2180 H2O H1 3 0.423800 1.0079 0 - 8556 H2O 2180 H2O H2 3 0.423800 1.0079 0 - 8557 H2O 2181 H2O O1 4 -0.847600 15.9994 0 - 8558 H2O 2181 H2O H1 3 0.423800 1.0079 0 - 8559 H2O 2181 H2O H2 3 0.423800 1.0079 0 - 8560 H2O 2182 H2O O1 4 -0.847600 15.9994 0 - 8561 H2O 2182 H2O H1 3 0.423800 1.0079 0 - 8562 H2O 2182 H2O H2 3 0.423800 1.0079 0 - 8563 H2O 2183 H2O O1 4 -0.847600 15.9994 0 - 8564 H2O 2183 H2O H1 3 0.423800 1.0079 0 - 8565 H2O 2183 H2O H2 3 0.423800 1.0079 0 - 8566 H2O 2184 H2O O1 4 -0.847600 15.9994 0 - 8567 H2O 2184 H2O H1 3 0.423800 1.0079 0 - 8568 H2O 2184 H2O H2 3 0.423800 1.0079 0 - 8569 H2O 2185 H2O O1 4 -0.847600 15.9994 0 - 8570 H2O 2185 H2O H1 3 0.423800 1.0079 0 - 8571 H2O 2185 H2O H2 3 0.423800 1.0079 0 - 8572 H2O 2186 H2O O1 4 -0.847600 15.9994 0 - 8573 H2O 2186 H2O H1 3 0.423800 1.0079 0 - 8574 H2O 2186 H2O H2 3 0.423800 1.0079 0 - 8575 H2O 2187 H2O O1 4 -0.847600 15.9994 0 - 8576 H2O 2187 H2O H1 3 0.423800 1.0079 0 - 8577 H2O 2187 H2O H2 3 0.423800 1.0079 0 - 8578 H2O 2188 H2O O1 4 -0.847600 15.9994 0 - 8579 H2O 2188 H2O H1 3 0.423800 1.0079 0 - 8580 H2O 2188 H2O H2 3 0.423800 1.0079 0 - 8581 H2O 2189 H2O O1 4 -0.847600 15.9994 0 - 8582 H2O 2189 H2O H1 3 0.423800 1.0079 0 - 8583 H2O 2189 H2O H2 3 0.423800 1.0079 0 - 8584 H2O 2190 H2O O1 4 -0.847600 15.9994 0 - 8585 H2O 2190 H2O H1 3 0.423800 1.0079 0 - 8586 H2O 2190 H2O H2 3 0.423800 1.0079 0 - 8587 H2O 2191 H2O O1 4 -0.847600 15.9994 0 - 8588 H2O 2191 H2O H1 3 0.423800 1.0079 0 - 8589 H2O 2191 H2O H2 3 0.423800 1.0079 0 - 8590 H2O 2192 H2O O1 4 -0.847600 15.9994 0 - 8591 H2O 2192 H2O H1 3 0.423800 1.0079 0 - 8592 H2O 2192 H2O H2 3 0.423800 1.0079 0 - 8593 H2O 2193 H2O O1 4 -0.847600 15.9994 0 - 8594 H2O 2193 H2O H1 3 0.423800 1.0079 0 - 8595 H2O 2193 H2O H2 3 0.423800 1.0079 0 - 8596 H2O 2194 H2O O1 4 -0.847600 15.9994 0 - 8597 H2O 2194 H2O H1 3 0.423800 1.0079 0 - 8598 H2O 2194 H2O H2 3 0.423800 1.0079 0 - 8599 H2O 2195 H2O O1 4 -0.847600 15.9994 0 - 8600 H2O 2195 H2O H1 3 0.423800 1.0079 0 - 8601 H2O 2195 H2O H2 3 0.423800 1.0079 0 - 8602 H2O 2196 H2O O1 4 -0.847600 15.9994 0 - 8603 H2O 2196 H2O H1 3 0.423800 1.0079 0 - 8604 H2O 2196 H2O H2 3 0.423800 1.0079 0 - 8605 H2O 2197 H2O O1 4 -0.847600 15.9994 0 - 8606 H2O 2197 H2O H1 3 0.423800 1.0079 0 - 8607 H2O 2197 H2O H2 3 0.423800 1.0079 0 - 8608 H2O 2198 H2O O1 4 -0.847600 15.9994 0 - 8609 H2O 2198 H2O H1 3 0.423800 1.0079 0 - 8610 H2O 2198 H2O H2 3 0.423800 1.0079 0 - 8611 H2O 2199 H2O O1 4 -0.847600 15.9994 0 - 8612 H2O 2199 H2O H1 3 0.423800 1.0079 0 - 8613 H2O 2199 H2O H2 3 0.423800 1.0079 0 - 8614 H2O 2200 H2O O1 4 -0.847600 15.9994 0 - 8615 H2O 2200 H2O H1 3 0.423800 1.0079 0 - 8616 H2O 2200 H2O H2 3 0.423800 1.0079 0 - 8617 H2O 2201 H2O O1 4 -0.847600 15.9994 0 - 8618 H2O 2201 H2O H1 3 0.423800 1.0079 0 - 8619 H2O 2201 H2O H2 3 0.423800 1.0079 0 - 8620 H2O 2202 H2O O1 4 -0.847600 15.9994 0 - 8621 H2O 2202 H2O H1 3 0.423800 1.0079 0 - 8622 H2O 2202 H2O H2 3 0.423800 1.0079 0 - 8623 H2O 2203 H2O O1 4 -0.847600 15.9994 0 - 8624 H2O 2203 H2O H1 3 0.423800 1.0079 0 - 8625 H2O 2203 H2O H2 3 0.423800 1.0079 0 - 8626 H2O 2204 H2O O1 4 -0.847600 15.9994 0 - 8627 H2O 2204 H2O H1 3 0.423800 1.0079 0 - 8628 H2O 2204 H2O H2 3 0.423800 1.0079 0 - 8629 H2O 2205 H2O O1 4 -0.847600 15.9994 0 - 8630 H2O 2205 H2O H1 3 0.423800 1.0079 0 - 8631 H2O 2205 H2O H2 3 0.423800 1.0079 0 - 8632 H2O 2206 H2O O1 4 -0.847600 15.9994 0 - 8633 H2O 2206 H2O H1 3 0.423800 1.0079 0 - 8634 H2O 2206 H2O H2 3 0.423800 1.0079 0 - 8635 H2O 2207 H2O O1 4 -0.847600 15.9994 0 - 8636 H2O 2207 H2O H1 3 0.423800 1.0079 0 - 8637 H2O 2207 H2O H2 3 0.423800 1.0079 0 - 8638 H2O 2208 H2O O1 4 -0.847600 15.9994 0 - 8639 H2O 2208 H2O H1 3 0.423800 1.0079 0 - 8640 H2O 2208 H2O H2 3 0.423800 1.0079 0 - 8641 H2O 2209 H2O O1 4 -0.847600 15.9994 0 - 8642 H2O 2209 H2O H1 3 0.423800 1.0079 0 - 8643 H2O 2209 H2O H2 3 0.423800 1.0079 0 - 8644 H2O 2210 H2O O1 4 -0.847600 15.9994 0 - 8645 H2O 2210 H2O H1 3 0.423800 1.0079 0 - 8646 H2O 2210 H2O H2 3 0.423800 1.0079 0 - 8647 H2O 2211 H2O O1 4 -0.847600 15.9994 0 - 8648 H2O 2211 H2O H1 3 0.423800 1.0079 0 - 8649 H2O 2211 H2O H2 3 0.423800 1.0079 0 - 8650 H2O 2212 H2O O1 4 -0.847600 15.9994 0 - 8651 H2O 2212 H2O H1 3 0.423800 1.0079 0 - 8652 H2O 2212 H2O H2 3 0.423800 1.0079 0 - 8653 H2O 2213 H2O O1 4 -0.847600 15.9994 0 - 8654 H2O 2213 H2O H1 3 0.423800 1.0079 0 - 8655 H2O 2213 H2O H2 3 0.423800 1.0079 0 - 8656 H2O 2214 H2O O1 4 -0.847600 15.9994 0 - 8657 H2O 2214 H2O H1 3 0.423800 1.0079 0 - 8658 H2O 2214 H2O H2 3 0.423800 1.0079 0 - 8659 H2O 2215 H2O O1 4 -0.847600 15.9994 0 - 8660 H2O 2215 H2O H1 3 0.423800 1.0079 0 - 8661 H2O 2215 H2O H2 3 0.423800 1.0079 0 - 8662 H2O 2216 H2O O1 4 -0.847600 15.9994 0 - 8663 H2O 2216 H2O H1 3 0.423800 1.0079 0 - 8664 H2O 2216 H2O H2 3 0.423800 1.0079 0 - 8665 H2O 2217 H2O O1 4 -0.847600 15.9994 0 - 8666 H2O 2217 H2O H1 3 0.423800 1.0079 0 - 8667 H2O 2217 H2O H2 3 0.423800 1.0079 0 - 8668 H2O 2218 H2O O1 4 -0.847600 15.9994 0 - 8669 H2O 2218 H2O H1 3 0.423800 1.0079 0 - 8670 H2O 2218 H2O H2 3 0.423800 1.0079 0 - 8671 H2O 2219 H2O O1 4 -0.847600 15.9994 0 - 8672 H2O 2219 H2O H1 3 0.423800 1.0079 0 - 8673 H2O 2219 H2O H2 3 0.423800 1.0079 0 - 8674 H2O 2220 H2O O1 4 -0.847600 15.9994 0 - 8675 H2O 2220 H2O H1 3 0.423800 1.0079 0 - 8676 H2O 2220 H2O H2 3 0.423800 1.0079 0 - 8677 H2O 2221 H2O O1 4 -0.847600 15.9994 0 - 8678 H2O 2221 H2O H1 3 0.423800 1.0079 0 - 8679 H2O 2221 H2O H2 3 0.423800 1.0079 0 - 8680 H2O 2222 H2O O1 4 -0.847600 15.9994 0 - 8681 H2O 2222 H2O H1 3 0.423800 1.0079 0 - 8682 H2O 2222 H2O H2 3 0.423800 1.0079 0 - 8683 H2O 2223 H2O O1 4 -0.847600 15.9994 0 - 8684 H2O 2223 H2O H1 3 0.423800 1.0079 0 - 8685 H2O 2223 H2O H2 3 0.423800 1.0079 0 - 8686 H2O 2224 H2O O1 4 -0.847600 15.9994 0 - 8687 H2O 2224 H2O H1 3 0.423800 1.0079 0 - 8688 H2O 2224 H2O H2 3 0.423800 1.0079 0 - 8689 H2O 2225 H2O O1 4 -0.847600 15.9994 0 - 8690 H2O 2225 H2O H1 3 0.423800 1.0079 0 - 8691 H2O 2225 H2O H2 3 0.423800 1.0079 0 - 8692 H2O 2226 H2O O1 4 -0.847600 15.9994 0 - 8693 H2O 2226 H2O H1 3 0.423800 1.0079 0 - 8694 H2O 2226 H2O H2 3 0.423800 1.0079 0 - 8695 H2O 2227 H2O O1 4 -0.847600 15.9994 0 - 8696 H2O 2227 H2O H1 3 0.423800 1.0079 0 - 8697 H2O 2227 H2O H2 3 0.423800 1.0079 0 - 8698 H2O 2228 H2O O1 4 -0.847600 15.9994 0 - 8699 H2O 2228 H2O H1 3 0.423800 1.0079 0 - 8700 H2O 2228 H2O H2 3 0.423800 1.0079 0 - 8701 H2O 2229 H2O O1 4 -0.847600 15.9994 0 - 8702 H2O 2229 H2O H1 3 0.423800 1.0079 0 - 8703 H2O 2229 H2O H2 3 0.423800 1.0079 0 - 8704 H2O 2230 H2O O1 4 -0.847600 15.9994 0 - 8705 H2O 2230 H2O H1 3 0.423800 1.0079 0 - 8706 H2O 2230 H2O H2 3 0.423800 1.0079 0 - 8707 H2O 2231 H2O O1 4 -0.847600 15.9994 0 - 8708 H2O 2231 H2O H1 3 0.423800 1.0079 0 - 8709 H2O 2231 H2O H2 3 0.423800 1.0079 0 - 8710 H2O 2232 H2O O1 4 -0.847600 15.9994 0 - 8711 H2O 2232 H2O H1 3 0.423800 1.0079 0 - 8712 H2O 2232 H2O H2 3 0.423800 1.0079 0 - 8713 H2O 2233 H2O O1 4 -0.847600 15.9994 0 - 8714 H2O 2233 H2O H1 3 0.423800 1.0079 0 - 8715 H2O 2233 H2O H2 3 0.423800 1.0079 0 - 8716 H2O 2234 H2O O1 4 -0.847600 15.9994 0 - 8717 H2O 2234 H2O H1 3 0.423800 1.0079 0 - 8718 H2O 2234 H2O H2 3 0.423800 1.0079 0 - 8719 H2O 2235 H2O O1 4 -0.847600 15.9994 0 - 8720 H2O 2235 H2O H1 3 0.423800 1.0079 0 - 8721 H2O 2235 H2O H2 3 0.423800 1.0079 0 - 8722 H2O 2236 H2O O1 4 -0.847600 15.9994 0 - 8723 H2O 2236 H2O H1 3 0.423800 1.0079 0 - 8724 H2O 2236 H2O H2 3 0.423800 1.0079 0 - 8725 H2O 2237 H2O O1 4 -0.847600 15.9994 0 - 8726 H2O 2237 H2O H1 3 0.423800 1.0079 0 - 8727 H2O 2237 H2O H2 3 0.423800 1.0079 0 - 8728 H2O 2238 H2O O1 4 -0.847600 15.9994 0 - 8729 H2O 2238 H2O H1 3 0.423800 1.0079 0 - 8730 H2O 2238 H2O H2 3 0.423800 1.0079 0 - 8731 H2O 2239 H2O O1 4 -0.847600 15.9994 0 - 8732 H2O 2239 H2O H1 3 0.423800 1.0079 0 - 8733 H2O 2239 H2O H2 3 0.423800 1.0079 0 - 8734 H2O 2240 H2O O1 4 -0.847600 15.9994 0 - 8735 H2O 2240 H2O H1 3 0.423800 1.0079 0 - 8736 H2O 2240 H2O H2 3 0.423800 1.0079 0 - 8737 H2O 2241 H2O O1 4 -0.847600 15.9994 0 - 8738 H2O 2241 H2O H1 3 0.423800 1.0079 0 - 8739 H2O 2241 H2O H2 3 0.423800 1.0079 0 - 8740 H2O 2242 H2O O1 4 -0.847600 15.9994 0 - 8741 H2O 2242 H2O H1 3 0.423800 1.0079 0 - 8742 H2O 2242 H2O H2 3 0.423800 1.0079 0 - 8743 H2O 2243 H2O O1 4 -0.847600 15.9994 0 - 8744 H2O 2243 H2O H1 3 0.423800 1.0079 0 - 8745 H2O 2243 H2O H2 3 0.423800 1.0079 0 - 8746 H2O 2244 H2O O1 4 -0.847600 15.9994 0 - 8747 H2O 2244 H2O H1 3 0.423800 1.0079 0 - 8748 H2O 2244 H2O H2 3 0.423800 1.0079 0 - 8749 H2O 2245 H2O O1 4 -0.847600 15.9994 0 - 8750 H2O 2245 H2O H1 3 0.423800 1.0079 0 - 8751 H2O 2245 H2O H2 3 0.423800 1.0079 0 - 8752 H2O 2246 H2O O1 4 -0.847600 15.9994 0 - 8753 H2O 2246 H2O H1 3 0.423800 1.0079 0 - 8754 H2O 2246 H2O H2 3 0.423800 1.0079 0 - 8755 H2O 2247 H2O O1 4 -0.847600 15.9994 0 - 8756 H2O 2247 H2O H1 3 0.423800 1.0079 0 - 8757 H2O 2247 H2O H2 3 0.423800 1.0079 0 - 8758 H2O 2248 H2O O1 4 -0.847600 15.9994 0 - 8759 H2O 2248 H2O H1 3 0.423800 1.0079 0 - 8760 H2O 2248 H2O H2 3 0.423800 1.0079 0 - 8761 H2O 2249 H2O O1 4 -0.847600 15.9994 0 - 8762 H2O 2249 H2O H1 3 0.423800 1.0079 0 - 8763 H2O 2249 H2O H2 3 0.423800 1.0079 0 - 8764 H2O 2250 H2O O1 4 -0.847600 15.9994 0 - 8765 H2O 2250 H2O H1 3 0.423800 1.0079 0 - 8766 H2O 2250 H2O H2 3 0.423800 1.0079 0 - 8767 H2O 2251 H2O O1 4 -0.847600 15.9994 0 - 8768 H2O 2251 H2O H1 3 0.423800 1.0079 0 - 8769 H2O 2251 H2O H2 3 0.423800 1.0079 0 - 8770 H2O 2252 H2O O1 4 -0.847600 15.9994 0 - 8771 H2O 2252 H2O H1 3 0.423800 1.0079 0 - 8772 H2O 2252 H2O H2 3 0.423800 1.0079 0 - 8773 H2O 2253 H2O O1 4 -0.847600 15.9994 0 - 8774 H2O 2253 H2O H1 3 0.423800 1.0079 0 - 8775 H2O 2253 H2O H2 3 0.423800 1.0079 0 - 8776 H2O 2254 H2O O1 4 -0.847600 15.9994 0 - 8777 H2O 2254 H2O H1 3 0.423800 1.0079 0 - 8778 H2O 2254 H2O H2 3 0.423800 1.0079 0 - 8779 H2O 2255 H2O O1 4 -0.847600 15.9994 0 - 8780 H2O 2255 H2O H1 3 0.423800 1.0079 0 - 8781 H2O 2255 H2O H2 3 0.423800 1.0079 0 - 8782 H2O 2256 H2O O1 4 -0.847600 15.9994 0 - 8783 H2O 2256 H2O H1 3 0.423800 1.0079 0 - 8784 H2O 2256 H2O H2 3 0.423800 1.0079 0 - 8785 H2O 2257 H2O O1 4 -0.847600 15.9994 0 - 8786 H2O 2257 H2O H1 3 0.423800 1.0079 0 - 8787 H2O 2257 H2O H2 3 0.423800 1.0079 0 - 8788 H2O 2258 H2O O1 4 -0.847600 15.9994 0 - 8789 H2O 2258 H2O H1 3 0.423800 1.0079 0 - 8790 H2O 2258 H2O H2 3 0.423800 1.0079 0 - 8791 H2O 2259 H2O O1 4 -0.847600 15.9994 0 - 8792 H2O 2259 H2O H1 3 0.423800 1.0079 0 - 8793 H2O 2259 H2O H2 3 0.423800 1.0079 0 - 8794 H2O 2260 H2O O1 4 -0.847600 15.9994 0 - 8795 H2O 2260 H2O H1 3 0.423800 1.0079 0 - 8796 H2O 2260 H2O H2 3 0.423800 1.0079 0 - 8797 H2O 2261 H2O O1 4 -0.847600 15.9994 0 - 8798 H2O 2261 H2O H1 3 0.423800 1.0079 0 - 8799 H2O 2261 H2O H2 3 0.423800 1.0079 0 - 8800 H2O 2262 H2O O1 4 -0.847600 15.9994 0 - 8801 H2O 2262 H2O H1 3 0.423800 1.0079 0 - 8802 H2O 2262 H2O H2 3 0.423800 1.0079 0 - 8803 H2O 2263 H2O O1 4 -0.847600 15.9994 0 - 8804 H2O 2263 H2O H1 3 0.423800 1.0079 0 - 8805 H2O 2263 H2O H2 3 0.423800 1.0079 0 - 8806 H2O 2264 H2O O1 4 -0.847600 15.9994 0 - 8807 H2O 2264 H2O H1 3 0.423800 1.0079 0 - 8808 H2O 2264 H2O H2 3 0.423800 1.0079 0 - 8809 H2O 2265 H2O O1 4 -0.847600 15.9994 0 - 8810 H2O 2265 H2O H1 3 0.423800 1.0079 0 - 8811 H2O 2265 H2O H2 3 0.423800 1.0079 0 - 8812 H2O 2266 H2O O1 4 -0.847600 15.9994 0 - 8813 H2O 2266 H2O H1 3 0.423800 1.0079 0 - 8814 H2O 2266 H2O H2 3 0.423800 1.0079 0 - 8815 H2O 2267 H2O O1 4 -0.847600 15.9994 0 - 8816 H2O 2267 H2O H1 3 0.423800 1.0079 0 - 8817 H2O 2267 H2O H2 3 0.423800 1.0079 0 - 8818 H2O 2268 H2O O1 4 -0.847600 15.9994 0 - 8819 H2O 2268 H2O H1 3 0.423800 1.0079 0 - 8820 H2O 2268 H2O H2 3 0.423800 1.0079 0 - 8821 H2O 2269 H2O O1 4 -0.847600 15.9994 0 - 8822 H2O 2269 H2O H1 3 0.423800 1.0079 0 - 8823 H2O 2269 H2O H2 3 0.423800 1.0079 0 - 8824 H2O 2270 H2O O1 4 -0.847600 15.9994 0 - 8825 H2O 2270 H2O H1 3 0.423800 1.0079 0 - 8826 H2O 2270 H2O H2 3 0.423800 1.0079 0 - 8827 H2O 2271 H2O O1 4 -0.847600 15.9994 0 - 8828 H2O 2271 H2O H1 3 0.423800 1.0079 0 - 8829 H2O 2271 H2O H2 3 0.423800 1.0079 0 - 8830 H2O 2272 H2O O1 4 -0.847600 15.9994 0 - 8831 H2O 2272 H2O H1 3 0.423800 1.0079 0 - 8832 H2O 2272 H2O H2 3 0.423800 1.0079 0 - 8833 H2O 2273 H2O O1 4 -0.847600 15.9994 0 - 8834 H2O 2273 H2O H1 3 0.423800 1.0079 0 - 8835 H2O 2273 H2O H2 3 0.423800 1.0079 0 - 8836 H2O 2274 H2O O1 4 -0.847600 15.9994 0 - 8837 H2O 2274 H2O H1 3 0.423800 1.0079 0 - 8838 H2O 2274 H2O H2 3 0.423800 1.0079 0 - 8839 H2O 2275 H2O O1 4 -0.847600 15.9994 0 - 8840 H2O 2275 H2O H1 3 0.423800 1.0079 0 - 8841 H2O 2275 H2O H2 3 0.423800 1.0079 0 - 8842 H2O 2276 H2O O1 4 -0.847600 15.9994 0 - 8843 H2O 2276 H2O H1 3 0.423800 1.0079 0 - 8844 H2O 2276 H2O H2 3 0.423800 1.0079 0 - 8845 H2O 2277 H2O O1 4 -0.847600 15.9994 0 - 8846 H2O 2277 H2O H1 3 0.423800 1.0079 0 - 8847 H2O 2277 H2O H2 3 0.423800 1.0079 0 - 8848 H2O 2278 H2O O1 4 -0.847600 15.9994 0 - 8849 H2O 2278 H2O H1 3 0.423800 1.0079 0 - 8850 H2O 2278 H2O H2 3 0.423800 1.0079 0 - 8851 H2O 2279 H2O O1 4 -0.847600 15.9994 0 - 8852 H2O 2279 H2O H1 3 0.423800 1.0079 0 - 8853 H2O 2279 H2O H2 3 0.423800 1.0079 0 - 8854 H2O 2280 H2O O1 4 -0.847600 15.9994 0 - 8855 H2O 2280 H2O H1 3 0.423800 1.0079 0 - 8856 H2O 2280 H2O H2 3 0.423800 1.0079 0 - 8857 H2O 2281 H2O O1 4 -0.847600 15.9994 0 - 8858 H2O 2281 H2O H1 3 0.423800 1.0079 0 - 8859 H2O 2281 H2O H2 3 0.423800 1.0079 0 - 8860 H2O 2282 H2O O1 4 -0.847600 15.9994 0 - 8861 H2O 2282 H2O H1 3 0.423800 1.0079 0 - 8862 H2O 2282 H2O H2 3 0.423800 1.0079 0 - 8863 H2O 2283 H2O O1 4 -0.847600 15.9994 0 - 8864 H2O 2283 H2O H1 3 0.423800 1.0079 0 - 8865 H2O 2283 H2O H2 3 0.423800 1.0079 0 - 8866 H2O 2284 H2O O1 4 -0.847600 15.9994 0 - 8867 H2O 2284 H2O H1 3 0.423800 1.0079 0 - 8868 H2O 2284 H2O H2 3 0.423800 1.0079 0 - 8869 H2O 2285 H2O O1 4 -0.847600 15.9994 0 - 8870 H2O 2285 H2O H1 3 0.423800 1.0079 0 - 8871 H2O 2285 H2O H2 3 0.423800 1.0079 0 - 8872 H2O 2286 H2O O1 4 -0.847600 15.9994 0 - 8873 H2O 2286 H2O H1 3 0.423800 1.0079 0 - 8874 H2O 2286 H2O H2 3 0.423800 1.0079 0 - 8875 H2O 2287 H2O O1 4 -0.847600 15.9994 0 - 8876 H2O 2287 H2O H1 3 0.423800 1.0079 0 - 8877 H2O 2287 H2O H2 3 0.423800 1.0079 0 - 8878 H2O 2288 H2O O1 4 -0.847600 15.9994 0 - 8879 H2O 2288 H2O H1 3 0.423800 1.0079 0 - 8880 H2O 2288 H2O H2 3 0.423800 1.0079 0 - 8881 H2O 2289 H2O O1 4 -0.847600 15.9994 0 - 8882 H2O 2289 H2O H1 3 0.423800 1.0079 0 - 8883 H2O 2289 H2O H2 3 0.423800 1.0079 0 - 8884 H2O 2290 H2O O1 4 -0.847600 15.9994 0 - 8885 H2O 2290 H2O H1 3 0.423800 1.0079 0 - 8886 H2O 2290 H2O H2 3 0.423800 1.0079 0 - 8887 H2O 2291 H2O O1 4 -0.847600 15.9994 0 - 8888 H2O 2291 H2O H1 3 0.423800 1.0079 0 - 8889 H2O 2291 H2O H2 3 0.423800 1.0079 0 - 8890 H2O 2292 H2O O1 4 -0.847600 15.9994 0 - 8891 H2O 2292 H2O H1 3 0.423800 1.0079 0 - 8892 H2O 2292 H2O H2 3 0.423800 1.0079 0 - 8893 H2O 2293 H2O O1 4 -0.847600 15.9994 0 - 8894 H2O 2293 H2O H1 3 0.423800 1.0079 0 - 8895 H2O 2293 H2O H2 3 0.423800 1.0079 0 - 8896 H2O 2294 H2O O1 4 -0.847600 15.9994 0 - 8897 H2O 2294 H2O H1 3 0.423800 1.0079 0 - 8898 H2O 2294 H2O H2 3 0.423800 1.0079 0 - 8899 H2O 2295 H2O O1 4 -0.847600 15.9994 0 - 8900 H2O 2295 H2O H1 3 0.423800 1.0079 0 - 8901 H2O 2295 H2O H2 3 0.423800 1.0079 0 - 8902 H2O 2296 H2O O1 4 -0.847600 15.9994 0 - 8903 H2O 2296 H2O H1 3 0.423800 1.0079 0 - 8904 H2O 2296 H2O H2 3 0.423800 1.0079 0 - 8905 H2O 2297 H2O O1 4 -0.847600 15.9994 0 - 8906 H2O 2297 H2O H1 3 0.423800 1.0079 0 - 8907 H2O 2297 H2O H2 3 0.423800 1.0079 0 - 8908 H2O 2298 H2O O1 4 -0.847600 15.9994 0 - 8909 H2O 2298 H2O H1 3 0.423800 1.0079 0 - 8910 H2O 2298 H2O H2 3 0.423800 1.0079 0 - 8911 H2O 2299 H2O O1 4 -0.847600 15.9994 0 - 8912 H2O 2299 H2O H1 3 0.423800 1.0079 0 - 8913 H2O 2299 H2O H2 3 0.423800 1.0079 0 - 8914 H2O 2300 H2O O1 4 -0.847600 15.9994 0 - 8915 H2O 2300 H2O H1 3 0.423800 1.0079 0 - 8916 H2O 2300 H2O H2 3 0.423800 1.0079 0 - 8917 H2O 2301 H2O O1 4 -0.847600 15.9994 0 - 8918 H2O 2301 H2O H1 3 0.423800 1.0079 0 - 8919 H2O 2301 H2O H2 3 0.423800 1.0079 0 - 8920 H2O 2302 H2O O1 4 -0.847600 15.9994 0 - 8921 H2O 2302 H2O H1 3 0.423800 1.0079 0 - 8922 H2O 2302 H2O H2 3 0.423800 1.0079 0 - 8923 H2O 2303 H2O O1 4 -0.847600 15.9994 0 - 8924 H2O 2303 H2O H1 3 0.423800 1.0079 0 - 8925 H2O 2303 H2O H2 3 0.423800 1.0079 0 - 8926 H2O 2304 H2O O1 4 -0.847600 15.9994 0 - 8927 H2O 2304 H2O H1 3 0.423800 1.0079 0 - 8928 H2O 2304 H2O H2 3 0.423800 1.0079 0 - 8929 H2O 2305 H2O O1 4 -0.847600 15.9994 0 - 8930 H2O 2305 H2O H1 3 0.423800 1.0079 0 - 8931 H2O 2305 H2O H2 3 0.423800 1.0079 0 - 8932 H2O 2306 H2O O1 4 -0.847600 15.9994 0 - 8933 H2O 2306 H2O H1 3 0.423800 1.0079 0 - 8934 H2O 2306 H2O H2 3 0.423800 1.0079 0 - 8935 H2O 2307 H2O O1 4 -0.847600 15.9994 0 - 8936 H2O 2307 H2O H1 3 0.423800 1.0079 0 - 8937 H2O 2307 H2O H2 3 0.423800 1.0079 0 - 8938 H2O 2308 H2O O1 4 -0.847600 15.9994 0 - 8939 H2O 2308 H2O H1 3 0.423800 1.0079 0 - 8940 H2O 2308 H2O H2 3 0.423800 1.0079 0 - 8941 H2O 2309 H2O O1 4 -0.847600 15.9994 0 - 8942 H2O 2309 H2O H1 3 0.423800 1.0079 0 - 8943 H2O 2309 H2O H2 3 0.423800 1.0079 0 - 8944 H2O 2310 H2O O1 4 -0.847600 15.9994 0 - 8945 H2O 2310 H2O H1 3 0.423800 1.0079 0 - 8946 H2O 2310 H2O H2 3 0.423800 1.0079 0 - 8947 H2O 2311 H2O O1 4 -0.847600 15.9994 0 - 8948 H2O 2311 H2O H1 3 0.423800 1.0079 0 - 8949 H2O 2311 H2O H2 3 0.423800 1.0079 0 - 8950 H2O 2312 H2O O1 4 -0.847600 15.9994 0 - 8951 H2O 2312 H2O H1 3 0.423800 1.0079 0 - 8952 H2O 2312 H2O H2 3 0.423800 1.0079 0 - 8953 H2O 2313 H2O O1 4 -0.847600 15.9994 0 - 8954 H2O 2313 H2O H1 3 0.423800 1.0079 0 - 8955 H2O 2313 H2O H2 3 0.423800 1.0079 0 - 8956 H2O 2314 H2O O1 4 -0.847600 15.9994 0 - 8957 H2O 2314 H2O H1 3 0.423800 1.0079 0 - 8958 H2O 2314 H2O H2 3 0.423800 1.0079 0 - 8959 H2O 2315 H2O O1 4 -0.847600 15.9994 0 - 8960 H2O 2315 H2O H1 3 0.423800 1.0079 0 - 8961 H2O 2315 H2O H2 3 0.423800 1.0079 0 - 8962 H2O 2316 H2O O1 4 -0.847600 15.9994 0 - 8963 H2O 2316 H2O H1 3 0.423800 1.0079 0 - 8964 H2O 2316 H2O H2 3 0.423800 1.0079 0 - 8965 H2O 2317 H2O O1 4 -0.847600 15.9994 0 - 8966 H2O 2317 H2O H1 3 0.423800 1.0079 0 - 8967 H2O 2317 H2O H2 3 0.423800 1.0079 0 - 8968 H2O 2318 H2O O1 4 -0.847600 15.9994 0 - 8969 H2O 2318 H2O H1 3 0.423800 1.0079 0 - 8970 H2O 2318 H2O H2 3 0.423800 1.0079 0 - 8971 H2O 2319 H2O O1 4 -0.847600 15.9994 0 - 8972 H2O 2319 H2O H1 3 0.423800 1.0079 0 - 8973 H2O 2319 H2O H2 3 0.423800 1.0079 0 - 8974 H2O 2320 H2O O1 4 -0.847600 15.9994 0 - 8975 H2O 2320 H2O H1 3 0.423800 1.0079 0 - 8976 H2O 2320 H2O H2 3 0.423800 1.0079 0 - 8977 H2O 2321 H2O O1 4 -0.847600 15.9994 0 - 8978 H2O 2321 H2O H1 3 0.423800 1.0079 0 - 8979 H2O 2321 H2O H2 3 0.423800 1.0079 0 - 8980 H2O 2322 H2O O1 4 -0.847600 15.9994 0 - 8981 H2O 2322 H2O H1 3 0.423800 1.0079 0 - 8982 H2O 2322 H2O H2 3 0.423800 1.0079 0 - 8983 H2O 2323 H2O O1 4 -0.847600 15.9994 0 - 8984 H2O 2323 H2O H1 3 0.423800 1.0079 0 - 8985 H2O 2323 H2O H2 3 0.423800 1.0079 0 - 8986 H2O 2324 H2O O1 4 -0.847600 15.9994 0 - 8987 H2O 2324 H2O H1 3 0.423800 1.0079 0 - 8988 H2O 2324 H2O H2 3 0.423800 1.0079 0 - 8989 H2O 2325 H2O O1 4 -0.847600 15.9994 0 - 8990 H2O 2325 H2O H1 3 0.423800 1.0079 0 - 8991 H2O 2325 H2O H2 3 0.423800 1.0079 0 - 8992 H2O 2326 H2O O1 4 -0.847600 15.9994 0 - 8993 H2O 2326 H2O H1 3 0.423800 1.0079 0 - 8994 H2O 2326 H2O H2 3 0.423800 1.0079 0 - 8995 H2O 2327 H2O O1 4 -0.847600 15.9994 0 - 8996 H2O 2327 H2O H1 3 0.423800 1.0079 0 - 8997 H2O 2327 H2O H2 3 0.423800 1.0079 0 - 8998 H2O 2328 H2O O1 4 -0.847600 15.9994 0 - 8999 H2O 2328 H2O H1 3 0.423800 1.0079 0 - 9000 H2O 2328 H2O H2 3 0.423800 1.0079 0 - 9001 H2O 2329 H2O O1 4 -0.847600 15.9994 0 - 9002 H2O 2329 H2O H1 3 0.423800 1.0079 0 - 9003 H2O 2329 H2O H2 3 0.423800 1.0079 0 - 9004 H2O 2330 H2O O1 4 -0.847600 15.9994 0 - 9005 H2O 2330 H2O H1 3 0.423800 1.0079 0 - 9006 H2O 2330 H2O H2 3 0.423800 1.0079 0 - 9007 H2O 2331 H2O O1 4 -0.847600 15.9994 0 - 9008 H2O 2331 H2O H1 3 0.423800 1.0079 0 - 9009 H2O 2331 H2O H2 3 0.423800 1.0079 0 - 9010 H2O 2332 H2O O1 4 -0.847600 15.9994 0 - 9011 H2O 2332 H2O H1 3 0.423800 1.0079 0 - 9012 H2O 2332 H2O H2 3 0.423800 1.0079 0 - 9013 H2O 2333 H2O O1 4 -0.847600 15.9994 0 - 9014 H2O 2333 H2O H1 3 0.423800 1.0079 0 - 9015 H2O 2333 H2O H2 3 0.423800 1.0079 0 - 9016 H2O 2334 H2O O1 4 -0.847600 15.9994 0 - 9017 H2O 2334 H2O H1 3 0.423800 1.0079 0 - 9018 H2O 2334 H2O H2 3 0.423800 1.0079 0 - 9019 H2O 2335 H2O O1 4 -0.847600 15.9994 0 - 9020 H2O 2335 H2O H1 3 0.423800 1.0079 0 - 9021 H2O 2335 H2O H2 3 0.423800 1.0079 0 - 9022 H2O 2336 H2O O1 4 -0.847600 15.9994 0 - 9023 H2O 2336 H2O H1 3 0.423800 1.0079 0 - 9024 H2O 2336 H2O H2 3 0.423800 1.0079 0 - 9025 H2O 2337 H2O O1 4 -0.847600 15.9994 0 - 9026 H2O 2337 H2O H1 3 0.423800 1.0079 0 - 9027 H2O 2337 H2O H2 3 0.423800 1.0079 0 - 9028 H2O 2338 H2O O1 4 -0.847600 15.9994 0 - 9029 H2O 2338 H2O H1 3 0.423800 1.0079 0 - 9030 H2O 2338 H2O H2 3 0.423800 1.0079 0 - 9031 H2O 2339 H2O O1 4 -0.847600 15.9994 0 - 9032 H2O 2339 H2O H1 3 0.423800 1.0079 0 - 9033 H2O 2339 H2O H2 3 0.423800 1.0079 0 - 9034 H2O 2340 H2O O1 4 -0.847600 15.9994 0 - 9035 H2O 2340 H2O H1 3 0.423800 1.0079 0 - 9036 H2O 2340 H2O H2 3 0.423800 1.0079 0 - 9037 H2O 2341 H2O O1 4 -0.847600 15.9994 0 - 9038 H2O 2341 H2O H1 3 0.423800 1.0079 0 - 9039 H2O 2341 H2O H2 3 0.423800 1.0079 0 - 9040 H2O 2342 H2O O1 4 -0.847600 15.9994 0 - 9041 H2O 2342 H2O H1 3 0.423800 1.0079 0 - 9042 H2O 2342 H2O H2 3 0.423800 1.0079 0 - 9043 H2O 2343 H2O O1 4 -0.847600 15.9994 0 - 9044 H2O 2343 H2O H1 3 0.423800 1.0079 0 - 9045 H2O 2343 H2O H2 3 0.423800 1.0079 0 - 9046 H2O 2344 H2O O1 4 -0.847600 15.9994 0 - 9047 H2O 2344 H2O H1 3 0.423800 1.0079 0 - 9048 H2O 2344 H2O H2 3 0.423800 1.0079 0 - 9049 H2O 2345 H2O O1 4 -0.847600 15.9994 0 - 9050 H2O 2345 H2O H1 3 0.423800 1.0079 0 - 9051 H2O 2345 H2O H2 3 0.423800 1.0079 0 - 9052 H2O 2346 H2O O1 4 -0.847600 15.9994 0 - 9053 H2O 2346 H2O H1 3 0.423800 1.0079 0 - 9054 H2O 2346 H2O H2 3 0.423800 1.0079 0 - 9055 H2O 2347 H2O O1 4 -0.847600 15.9994 0 - 9056 H2O 2347 H2O H1 3 0.423800 1.0079 0 - 9057 H2O 2347 H2O H2 3 0.423800 1.0079 0 - 9058 H2O 2348 H2O O1 4 -0.847600 15.9994 0 - 9059 H2O 2348 H2O H1 3 0.423800 1.0079 0 - 9060 H2O 2348 H2O H2 3 0.423800 1.0079 0 - 9061 H2O 2349 H2O O1 4 -0.847600 15.9994 0 - 9062 H2O 2349 H2O H1 3 0.423800 1.0079 0 - 9063 H2O 2349 H2O H2 3 0.423800 1.0079 0 - 9064 H2O 2350 H2O O1 4 -0.847600 15.9994 0 - 9065 H2O 2350 H2O H1 3 0.423800 1.0079 0 - 9066 H2O 2350 H2O H2 3 0.423800 1.0079 0 - 9067 H2O 2351 H2O O1 4 -0.847600 15.9994 0 - 9068 H2O 2351 H2O H1 3 0.423800 1.0079 0 - 9069 H2O 2351 H2O H2 3 0.423800 1.0079 0 - 9070 H2O 2352 H2O O1 4 -0.847600 15.9994 0 - 9071 H2O 2352 H2O H1 3 0.423800 1.0079 0 - 9072 H2O 2352 H2O H2 3 0.423800 1.0079 0 - 9073 H2O 2353 H2O O1 4 -0.847600 15.9994 0 - 9074 H2O 2353 H2O H1 3 0.423800 1.0079 0 - 9075 H2O 2353 H2O H2 3 0.423800 1.0079 0 - 9076 H2O 2354 H2O O1 4 -0.847600 15.9994 0 - 9077 H2O 2354 H2O H1 3 0.423800 1.0079 0 - 9078 H2O 2354 H2O H2 3 0.423800 1.0079 0 - 9079 H2O 2355 H2O O1 4 -0.847600 15.9994 0 - 9080 H2O 2355 H2O H1 3 0.423800 1.0079 0 - 9081 H2O 2355 H2O H2 3 0.423800 1.0079 0 - 9082 H2O 2356 H2O O1 4 -0.847600 15.9994 0 - 9083 H2O 2356 H2O H1 3 0.423800 1.0079 0 - 9084 H2O 2356 H2O H2 3 0.423800 1.0079 0 - 9085 H2O 2357 H2O O1 4 -0.847600 15.9994 0 - 9086 H2O 2357 H2O H1 3 0.423800 1.0079 0 - 9087 H2O 2357 H2O H2 3 0.423800 1.0079 0 - 9088 H2O 2358 H2O O1 4 -0.847600 15.9994 0 - 9089 H2O 2358 H2O H1 3 0.423800 1.0079 0 - 9090 H2O 2358 H2O H2 3 0.423800 1.0079 0 - 9091 H2O 2359 H2O O1 4 -0.847600 15.9994 0 - 9092 H2O 2359 H2O H1 3 0.423800 1.0079 0 - 9093 H2O 2359 H2O H2 3 0.423800 1.0079 0 - 9094 H2O 2360 H2O O1 4 -0.847600 15.9994 0 - 9095 H2O 2360 H2O H1 3 0.423800 1.0079 0 - 9096 H2O 2360 H2O H2 3 0.423800 1.0079 0 - 9097 H2O 2361 H2O O1 4 -0.847600 15.9994 0 - 9098 H2O 2361 H2O H1 3 0.423800 1.0079 0 - 9099 H2O 2361 H2O H2 3 0.423800 1.0079 0 - 9100 H2O 2362 H2O O1 4 -0.847600 15.9994 0 - 9101 H2O 2362 H2O H1 3 0.423800 1.0079 0 - 9102 H2O 2362 H2O H2 3 0.423800 1.0079 0 - 9103 H2O 2363 H2O O1 4 -0.847600 15.9994 0 - 9104 H2O 2363 H2O H1 3 0.423800 1.0079 0 - 9105 H2O 2363 H2O H2 3 0.423800 1.0079 0 - 9106 H2O 2364 H2O O1 4 -0.847600 15.9994 0 - 9107 H2O 2364 H2O H1 3 0.423800 1.0079 0 - 9108 H2O 2364 H2O H2 3 0.423800 1.0079 0 - 9109 H2O 2365 H2O O1 4 -0.847600 15.9994 0 - 9110 H2O 2365 H2O H1 3 0.423800 1.0079 0 - 9111 H2O 2365 H2O H2 3 0.423800 1.0079 0 - 9112 H2O 2366 H2O O1 4 -0.847600 15.9994 0 - 9113 H2O 2366 H2O H1 3 0.423800 1.0079 0 - 9114 H2O 2366 H2O H2 3 0.423800 1.0079 0 - 9115 H2O 2367 H2O O1 4 -0.847600 15.9994 0 - 9116 H2O 2367 H2O H1 3 0.423800 1.0079 0 - 9117 H2O 2367 H2O H2 3 0.423800 1.0079 0 - 9118 H2O 2368 H2O O1 4 -0.847600 15.9994 0 - 9119 H2O 2368 H2O H1 3 0.423800 1.0079 0 - 9120 H2O 2368 H2O H2 3 0.423800 1.0079 0 - 9121 H2O 2369 H2O O1 4 -0.847600 15.9994 0 - 9122 H2O 2369 H2O H1 3 0.423800 1.0079 0 - 9123 H2O 2369 H2O H2 3 0.423800 1.0079 0 - 9124 H2O 2370 H2O O1 4 -0.847600 15.9994 0 - 9125 H2O 2370 H2O H1 3 0.423800 1.0079 0 - 9126 H2O 2370 H2O H2 3 0.423800 1.0079 0 - 9127 H2O 2371 H2O O1 4 -0.847600 15.9994 0 - 9128 H2O 2371 H2O H1 3 0.423800 1.0079 0 - 9129 H2O 2371 H2O H2 3 0.423800 1.0079 0 - 9130 H2O 2372 H2O O1 4 -0.847600 15.9994 0 - 9131 H2O 2372 H2O H1 3 0.423800 1.0079 0 - 9132 H2O 2372 H2O H2 3 0.423800 1.0079 0 - 9133 H2O 2373 H2O O1 4 -0.847600 15.9994 0 - 9134 H2O 2373 H2O H1 3 0.423800 1.0079 0 - 9135 H2O 2373 H2O H2 3 0.423800 1.0079 0 - 9136 H2O 2374 H2O O1 4 -0.847600 15.9994 0 - 9137 H2O 2374 H2O H1 3 0.423800 1.0079 0 - 9138 H2O 2374 H2O H2 3 0.423800 1.0079 0 - 9139 H2O 2375 H2O O1 4 -0.847600 15.9994 0 - 9140 H2O 2375 H2O H1 3 0.423800 1.0079 0 - 9141 H2O 2375 H2O H2 3 0.423800 1.0079 0 - 9142 H2O 2376 H2O O1 4 -0.847600 15.9994 0 - 9143 H2O 2376 H2O H1 3 0.423800 1.0079 0 - 9144 H2O 2376 H2O H2 3 0.423800 1.0079 0 - 9145 H2O 2377 H2O O1 4 -0.847600 15.9994 0 - 9146 H2O 2377 H2O H1 3 0.423800 1.0079 0 - 9147 H2O 2377 H2O H2 3 0.423800 1.0079 0 - 9148 H2O 2378 H2O O1 4 -0.847600 15.9994 0 - 9149 H2O 2378 H2O H1 3 0.423800 1.0079 0 - 9150 H2O 2378 H2O H2 3 0.423800 1.0079 0 - 9151 H2O 2379 H2O O1 4 -0.847600 15.9994 0 - 9152 H2O 2379 H2O H1 3 0.423800 1.0079 0 - 9153 H2O 2379 H2O H2 3 0.423800 1.0079 0 - 9154 H2O 2380 H2O O1 4 -0.847600 15.9994 0 - 9155 H2O 2380 H2O H1 3 0.423800 1.0079 0 - 9156 H2O 2380 H2O H2 3 0.423800 1.0079 0 - 9157 H2O 2381 H2O O1 4 -0.847600 15.9994 0 - 9158 H2O 2381 H2O H1 3 0.423800 1.0079 0 - 9159 H2O 2381 H2O H2 3 0.423800 1.0079 0 - 9160 H2O 2382 H2O O1 4 -0.847600 15.9994 0 - 9161 H2O 2382 H2O H1 3 0.423800 1.0079 0 - 9162 H2O 2382 H2O H2 3 0.423800 1.0079 0 - 9163 H2O 2383 H2O O1 4 -0.847600 15.9994 0 - 9164 H2O 2383 H2O H1 3 0.423800 1.0079 0 - 9165 H2O 2383 H2O H2 3 0.423800 1.0079 0 - 9166 H2O 2384 H2O O1 4 -0.847600 15.9994 0 - 9167 H2O 2384 H2O H1 3 0.423800 1.0079 0 - 9168 H2O 2384 H2O H2 3 0.423800 1.0079 0 - 9169 H2O 2385 H2O O1 4 -0.847600 15.9994 0 - 9170 H2O 2385 H2O H1 3 0.423800 1.0079 0 - 9171 H2O 2385 H2O H2 3 0.423800 1.0079 0 - 9172 H2O 2386 H2O O1 4 -0.847600 15.9994 0 - 9173 H2O 2386 H2O H1 3 0.423800 1.0079 0 - 9174 H2O 2386 H2O H2 3 0.423800 1.0079 0 - 9175 H2O 2387 H2O O1 4 -0.847600 15.9994 0 - 9176 H2O 2387 H2O H1 3 0.423800 1.0079 0 - 9177 H2O 2387 H2O H2 3 0.423800 1.0079 0 - 9178 H2O 2388 H2O O1 4 -0.847600 15.9994 0 - 9179 H2O 2388 H2O H1 3 0.423800 1.0079 0 - 9180 H2O 2388 H2O H2 3 0.423800 1.0079 0 - 9181 H2O 2389 H2O O1 4 -0.847600 15.9994 0 - 9182 H2O 2389 H2O H1 3 0.423800 1.0079 0 - 9183 H2O 2389 H2O H2 3 0.423800 1.0079 0 - 9184 H2O 2390 H2O O1 4 -0.847600 15.9994 0 - 9185 H2O 2390 H2O H1 3 0.423800 1.0079 0 - 9186 H2O 2390 H2O H2 3 0.423800 1.0079 0 - 9187 H2O 2391 H2O O1 4 -0.847600 15.9994 0 - 9188 H2O 2391 H2O H1 3 0.423800 1.0079 0 - 9189 H2O 2391 H2O H2 3 0.423800 1.0079 0 - 9190 H2O 2392 H2O O1 4 -0.847600 15.9994 0 - 9191 H2O 2392 H2O H1 3 0.423800 1.0079 0 - 9192 H2O 2392 H2O H2 3 0.423800 1.0079 0 - 9193 H2O 2393 H2O O1 4 -0.847600 15.9994 0 - 9194 H2O 2393 H2O H1 3 0.423800 1.0079 0 - 9195 H2O 2393 H2O H2 3 0.423800 1.0079 0 - 9196 H2O 2394 H2O O1 4 -0.847600 15.9994 0 - 9197 H2O 2394 H2O H1 3 0.423800 1.0079 0 - 9198 H2O 2394 H2O H2 3 0.423800 1.0079 0 - 9199 H2O 2395 H2O O1 4 -0.847600 15.9994 0 - 9200 H2O 2395 H2O H1 3 0.423800 1.0079 0 - 9201 H2O 2395 H2O H2 3 0.423800 1.0079 0 - 9202 H2O 2396 H2O O1 4 -0.847600 15.9994 0 - 9203 H2O 2396 H2O H1 3 0.423800 1.0079 0 - 9204 H2O 2396 H2O H2 3 0.423800 1.0079 0 - 9205 H2O 2397 H2O O1 4 -0.847600 15.9994 0 - 9206 H2O 2397 H2O H1 3 0.423800 1.0079 0 - 9207 H2O 2397 H2O H2 3 0.423800 1.0079 0 - 9208 H2O 2398 H2O O1 4 -0.847600 15.9994 0 - 9209 H2O 2398 H2O H1 3 0.423800 1.0079 0 - 9210 H2O 2398 H2O H2 3 0.423800 1.0079 0 - 9211 H2O 2399 H2O O1 4 -0.847600 15.9994 0 - 9212 H2O 2399 H2O H1 3 0.423800 1.0079 0 - 9213 H2O 2399 H2O H2 3 0.423800 1.0079 0 - 9214 H2O 2400 H2O O1 4 -0.847600 15.9994 0 - 9215 H2O 2400 H2O H1 3 0.423800 1.0079 0 - 9216 H2O 2400 H2O H2 3 0.423800 1.0079 0 - 9217 H2O 2401 H2O O1 4 -0.847600 15.9994 0 - 9218 H2O 2401 H2O H1 3 0.423800 1.0079 0 - 9219 H2O 2401 H2O H2 3 0.423800 1.0079 0 - 9220 H2O 2402 H2O O1 4 -0.847600 15.9994 0 - 9221 H2O 2402 H2O H1 3 0.423800 1.0079 0 - 9222 H2O 2402 H2O H2 3 0.423800 1.0079 0 - 9223 H2O 2403 H2O O1 4 -0.847600 15.9994 0 - 9224 H2O 2403 H2O H1 3 0.423800 1.0079 0 - 9225 H2O 2403 H2O H2 3 0.423800 1.0079 0 - 9226 H2O 2404 H2O O1 4 -0.847600 15.9994 0 - 9227 H2O 2404 H2O H1 3 0.423800 1.0079 0 - 9228 H2O 2404 H2O H2 3 0.423800 1.0079 0 - 9229 H2O 2405 H2O O1 4 -0.847600 15.9994 0 - 9230 H2O 2405 H2O H1 3 0.423800 1.0079 0 - 9231 H2O 2405 H2O H2 3 0.423800 1.0079 0 - 9232 H2O 2406 H2O O1 4 -0.847600 15.9994 0 - 9233 H2O 2406 H2O H1 3 0.423800 1.0079 0 - 9234 H2O 2406 H2O H2 3 0.423800 1.0079 0 - 9235 H2O 2407 H2O O1 4 -0.847600 15.9994 0 - 9236 H2O 2407 H2O H1 3 0.423800 1.0079 0 - 9237 H2O 2407 H2O H2 3 0.423800 1.0079 0 - 9238 H2O 2408 H2O O1 4 -0.847600 15.9994 0 - 9239 H2O 2408 H2O H1 3 0.423800 1.0079 0 - 9240 H2O 2408 H2O H2 3 0.423800 1.0079 0 - 9241 H2O 2409 H2O O1 4 -0.847600 15.9994 0 - 9242 H2O 2409 H2O H1 3 0.423800 1.0079 0 - 9243 H2O 2409 H2O H2 3 0.423800 1.0079 0 - 9244 H2O 2410 H2O O1 4 -0.847600 15.9994 0 - 9245 H2O 2410 H2O H1 3 0.423800 1.0079 0 - 9246 H2O 2410 H2O H2 3 0.423800 1.0079 0 - 9247 H2O 2411 H2O O1 4 -0.847600 15.9994 0 - 9248 H2O 2411 H2O H1 3 0.423800 1.0079 0 - 9249 H2O 2411 H2O H2 3 0.423800 1.0079 0 - 9250 H2O 2412 H2O O1 4 -0.847600 15.9994 0 - 9251 H2O 2412 H2O H1 3 0.423800 1.0079 0 - 9252 H2O 2412 H2O H2 3 0.423800 1.0079 0 - 9253 H2O 2413 H2O O1 4 -0.847600 15.9994 0 - 9254 H2O 2413 H2O H1 3 0.423800 1.0079 0 - 9255 H2O 2413 H2O H2 3 0.423800 1.0079 0 - 9256 H2O 2414 H2O O1 4 -0.847600 15.9994 0 - 9257 H2O 2414 H2O H1 3 0.423800 1.0079 0 - 9258 H2O 2414 H2O H2 3 0.423800 1.0079 0 - 9259 H2O 2415 H2O O1 4 -0.847600 15.9994 0 - 9260 H2O 2415 H2O H1 3 0.423800 1.0079 0 - 9261 H2O 2415 H2O H2 3 0.423800 1.0079 0 - 9262 H2O 2416 H2O O1 4 -0.847600 15.9994 0 - 9263 H2O 2416 H2O H1 3 0.423800 1.0079 0 - 9264 H2O 2416 H2O H2 3 0.423800 1.0079 0 - 9265 H2O 2417 H2O O1 4 -0.847600 15.9994 0 - 9266 H2O 2417 H2O H1 3 0.423800 1.0079 0 - 9267 H2O 2417 H2O H2 3 0.423800 1.0079 0 - 9268 H2O 2418 H2O O1 4 -0.847600 15.9994 0 - 9269 H2O 2418 H2O H1 3 0.423800 1.0079 0 - 9270 H2O 2418 H2O H2 3 0.423800 1.0079 0 - 9271 H2O 2419 H2O O1 4 -0.847600 15.9994 0 - 9272 H2O 2419 H2O H1 3 0.423800 1.0079 0 - 9273 H2O 2419 H2O H2 3 0.423800 1.0079 0 - 9274 H2O 2420 H2O O1 4 -0.847600 15.9994 0 - 9275 H2O 2420 H2O H1 3 0.423800 1.0079 0 - 9276 H2O 2420 H2O H2 3 0.423800 1.0079 0 - 9277 H2O 2421 H2O O1 4 -0.847600 15.9994 0 - 9278 H2O 2421 H2O H1 3 0.423800 1.0079 0 - 9279 H2O 2421 H2O H2 3 0.423800 1.0079 0 - 9280 H2O 2422 H2O O1 4 -0.847600 15.9994 0 - 9281 H2O 2422 H2O H1 3 0.423800 1.0079 0 - 9282 H2O 2422 H2O H2 3 0.423800 1.0079 0 - 9283 H2O 2423 H2O O1 4 -0.847600 15.9994 0 - 9284 H2O 2423 H2O H1 3 0.423800 1.0079 0 - 9285 H2O 2423 H2O H2 3 0.423800 1.0079 0 - 9286 H2O 2424 H2O O1 4 -0.847600 15.9994 0 - 9287 H2O 2424 H2O H1 3 0.423800 1.0079 0 - 9288 H2O 2424 H2O H2 3 0.423800 1.0079 0 - 9289 H2O 2425 H2O O1 4 -0.847600 15.9994 0 - 9290 H2O 2425 H2O H1 3 0.423800 1.0079 0 - 9291 H2O 2425 H2O H2 3 0.423800 1.0079 0 - 9292 H2O 2426 H2O O1 4 -0.847600 15.9994 0 - 9293 H2O 2426 H2O H1 3 0.423800 1.0079 0 - 9294 H2O 2426 H2O H2 3 0.423800 1.0079 0 - 9295 H2O 2427 H2O O1 4 -0.847600 15.9994 0 - 9296 H2O 2427 H2O H1 3 0.423800 1.0079 0 - 9297 H2O 2427 H2O H2 3 0.423800 1.0079 0 - 9298 H2O 2428 H2O O1 4 -0.847600 15.9994 0 - 9299 H2O 2428 H2O H1 3 0.423800 1.0079 0 - 9300 H2O 2428 H2O H2 3 0.423800 1.0079 0 - 9301 H2O 2429 H2O O1 4 -0.847600 15.9994 0 - 9302 H2O 2429 H2O H1 3 0.423800 1.0079 0 - 9303 H2O 2429 H2O H2 3 0.423800 1.0079 0 - 9304 H2O 2430 H2O O1 4 -0.847600 15.9994 0 - 9305 H2O 2430 H2O H1 3 0.423800 1.0079 0 - 9306 H2O 2430 H2O H2 3 0.423800 1.0079 0 - 9307 H2O 2431 H2O O1 4 -0.847600 15.9994 0 - 9308 H2O 2431 H2O H1 3 0.423800 1.0079 0 - 9309 H2O 2431 H2O H2 3 0.423800 1.0079 0 - 9310 H2O 2432 H2O O1 4 -0.847600 15.9994 0 - 9311 H2O 2432 H2O H1 3 0.423800 1.0079 0 - 9312 H2O 2432 H2O H2 3 0.423800 1.0079 0 - 9313 H2O 2433 H2O O1 4 -0.847600 15.9994 0 - 9314 H2O 2433 H2O H1 3 0.423800 1.0079 0 - 9315 H2O 2433 H2O H2 3 0.423800 1.0079 0 - 9316 H2O 2434 H2O O1 4 -0.847600 15.9994 0 - 9317 H2O 2434 H2O H1 3 0.423800 1.0079 0 - 9318 H2O 2434 H2O H2 3 0.423800 1.0079 0 - 9319 H2O 2435 H2O O1 4 -0.847600 15.9994 0 - 9320 H2O 2435 H2O H1 3 0.423800 1.0079 0 - 9321 H2O 2435 H2O H2 3 0.423800 1.0079 0 - 9322 H2O 2436 H2O O1 4 -0.847600 15.9994 0 - 9323 H2O 2436 H2O H1 3 0.423800 1.0079 0 - 9324 H2O 2436 H2O H2 3 0.423800 1.0079 0 - 9325 H2O 2437 H2O O1 4 -0.847600 15.9994 0 - 9326 H2O 2437 H2O H1 3 0.423800 1.0079 0 - 9327 H2O 2437 H2O H2 3 0.423800 1.0079 0 - 9328 H2O 2438 H2O O1 4 -0.847600 15.9994 0 - 9329 H2O 2438 H2O H1 3 0.423800 1.0079 0 - 9330 H2O 2438 H2O H2 3 0.423800 1.0079 0 - 9331 H2O 2439 H2O O1 4 -0.847600 15.9994 0 - 9332 H2O 2439 H2O H1 3 0.423800 1.0079 0 - 9333 H2O 2439 H2O H2 3 0.423800 1.0079 0 - 9334 H2O 2440 H2O O1 4 -0.847600 15.9994 0 - 9335 H2O 2440 H2O H1 3 0.423800 1.0079 0 - 9336 H2O 2440 H2O H2 3 0.423800 1.0079 0 - 9337 H2O 2441 H2O O1 4 -0.847600 15.9994 0 - 9338 H2O 2441 H2O H1 3 0.423800 1.0079 0 - 9339 H2O 2441 H2O H2 3 0.423800 1.0079 0 - 9340 H2O 2442 H2O O1 4 -0.847600 15.9994 0 - 9341 H2O 2442 H2O H1 3 0.423800 1.0079 0 - 9342 H2O 2442 H2O H2 3 0.423800 1.0079 0 - 9343 H2O 2443 H2O O1 4 -0.847600 15.9994 0 - 9344 H2O 2443 H2O H1 3 0.423800 1.0079 0 - 9345 H2O 2443 H2O H2 3 0.423800 1.0079 0 - 9346 H2O 2444 H2O O1 4 -0.847600 15.9994 0 - 9347 H2O 2444 H2O H1 3 0.423800 1.0079 0 - 9348 H2O 2444 H2O H2 3 0.423800 1.0079 0 - 9349 H2O 2445 H2O O1 4 -0.847600 15.9994 0 - 9350 H2O 2445 H2O H1 3 0.423800 1.0079 0 - 9351 H2O 2445 H2O H2 3 0.423800 1.0079 0 - 9352 H2O 2446 H2O O1 4 -0.847600 15.9994 0 - 9353 H2O 2446 H2O H1 3 0.423800 1.0079 0 - 9354 H2O 2446 H2O H2 3 0.423800 1.0079 0 - 9355 H2O 2447 H2O O1 4 -0.847600 15.9994 0 - 9356 H2O 2447 H2O H1 3 0.423800 1.0079 0 - 9357 H2O 2447 H2O H2 3 0.423800 1.0079 0 - 9358 H2O 2448 H2O O1 4 -0.847600 15.9994 0 - 9359 H2O 2448 H2O H1 3 0.423800 1.0079 0 - 9360 H2O 2448 H2O H2 3 0.423800 1.0079 0 - 9361 H2O 2449 H2O O1 4 -0.847600 15.9994 0 - 9362 H2O 2449 H2O H1 3 0.423800 1.0079 0 - 9363 H2O 2449 H2O H2 3 0.423800 1.0079 0 - 9364 H2O 2450 H2O O1 4 -0.847600 15.9994 0 - 9365 H2O 2450 H2O H1 3 0.423800 1.0079 0 - 9366 H2O 2450 H2O H2 3 0.423800 1.0079 0 - 9367 H2O 2451 H2O O1 4 -0.847600 15.9994 0 - 9368 H2O 2451 H2O H1 3 0.423800 1.0079 0 - 9369 H2O 2451 H2O H2 3 0.423800 1.0079 0 - 9370 H2O 2452 H2O O1 4 -0.847600 15.9994 0 - 9371 H2O 2452 H2O H1 3 0.423800 1.0079 0 - 9372 H2O 2452 H2O H2 3 0.423800 1.0079 0 - 9373 H2O 2453 H2O O1 4 -0.847600 15.9994 0 - 9374 H2O 2453 H2O H1 3 0.423800 1.0079 0 - 9375 H2O 2453 H2O H2 3 0.423800 1.0079 0 - 9376 H2O 2454 H2O O1 4 -0.847600 15.9994 0 - 9377 H2O 2454 H2O H1 3 0.423800 1.0079 0 - 9378 H2O 2454 H2O H2 3 0.423800 1.0079 0 - 9379 H2O 2455 H2O O1 4 -0.847600 15.9994 0 - 9380 H2O 2455 H2O H1 3 0.423800 1.0079 0 - 9381 H2O 2455 H2O H2 3 0.423800 1.0079 0 - 9382 H2O 2456 H2O O1 4 -0.847600 15.9994 0 - 9383 H2O 2456 H2O H1 3 0.423800 1.0079 0 - 9384 H2O 2456 H2O H2 3 0.423800 1.0079 0 - 9385 H2O 2457 H2O O1 4 -0.847600 15.9994 0 - 9386 H2O 2457 H2O H1 3 0.423800 1.0079 0 - 9387 H2O 2457 H2O H2 3 0.423800 1.0079 0 - 9388 H2O 2458 H2O O1 4 -0.847600 15.9994 0 - 9389 H2O 2458 H2O H1 3 0.423800 1.0079 0 - 9390 H2O 2458 H2O H2 3 0.423800 1.0079 0 - 9391 H2O 2459 H2O O1 4 -0.847600 15.9994 0 - 9392 H2O 2459 H2O H1 3 0.423800 1.0079 0 - 9393 H2O 2459 H2O H2 3 0.423800 1.0079 0 - 9394 H2O 2460 H2O O1 4 -0.847600 15.9994 0 - 9395 H2O 2460 H2O H1 3 0.423800 1.0079 0 - 9396 H2O 2460 H2O H2 3 0.423800 1.0079 0 - 9397 H2O 2461 H2O O1 4 -0.847600 15.9994 0 - 9398 H2O 2461 H2O H1 3 0.423800 1.0079 0 - 9399 H2O 2461 H2O H2 3 0.423800 1.0079 0 - 9400 H2O 2462 H2O O1 4 -0.847600 15.9994 0 - 9401 H2O 2462 H2O H1 3 0.423800 1.0079 0 - 9402 H2O 2462 H2O H2 3 0.423800 1.0079 0 - 9403 H2O 2463 H2O O1 4 -0.847600 15.9994 0 - 9404 H2O 2463 H2O H1 3 0.423800 1.0079 0 - 9405 H2O 2463 H2O H2 3 0.423800 1.0079 0 - 9406 H2O 2464 H2O O1 4 -0.847600 15.9994 0 - 9407 H2O 2464 H2O H1 3 0.423800 1.0079 0 - 9408 H2O 2464 H2O H2 3 0.423800 1.0079 0 - 9409 H2O 2465 H2O O1 4 -0.847600 15.9994 0 - 9410 H2O 2465 H2O H1 3 0.423800 1.0079 0 - 9411 H2O 2465 H2O H2 3 0.423800 1.0079 0 - 9412 H2O 2466 H2O O1 4 -0.847600 15.9994 0 - 9413 H2O 2466 H2O H1 3 0.423800 1.0079 0 - 9414 H2O 2466 H2O H2 3 0.423800 1.0079 0 - 9415 H2O 2467 H2O O1 4 -0.847600 15.9994 0 - 9416 H2O 2467 H2O H1 3 0.423800 1.0079 0 - 9417 H2O 2467 H2O H2 3 0.423800 1.0079 0 - 9418 H2O 2468 H2O O1 4 -0.847600 15.9994 0 - 9419 H2O 2468 H2O H1 3 0.423800 1.0079 0 - 9420 H2O 2468 H2O H2 3 0.423800 1.0079 0 - 9421 H2O 2469 H2O O1 4 -0.847600 15.9994 0 - 9422 H2O 2469 H2O H1 3 0.423800 1.0079 0 - 9423 H2O 2469 H2O H2 3 0.423800 1.0079 0 - 9424 H2O 2470 H2O O1 4 -0.847600 15.9994 0 - 9425 H2O 2470 H2O H1 3 0.423800 1.0079 0 - 9426 H2O 2470 H2O H2 3 0.423800 1.0079 0 - 9427 H2O 2471 H2O O1 4 -0.847600 15.9994 0 - 9428 H2O 2471 H2O H1 3 0.423800 1.0079 0 - 9429 H2O 2471 H2O H2 3 0.423800 1.0079 0 - 9430 H2O 2472 H2O O1 4 -0.847600 15.9994 0 - 9431 H2O 2472 H2O H1 3 0.423800 1.0079 0 - 9432 H2O 2472 H2O H2 3 0.423800 1.0079 0 - 9433 H2O 2473 H2O O1 4 -0.847600 15.9994 0 - 9434 H2O 2473 H2O H1 3 0.423800 1.0079 0 - 9435 H2O 2473 H2O H2 3 0.423800 1.0079 0 - 9436 H2O 2474 H2O O1 4 -0.847600 15.9994 0 - 9437 H2O 2474 H2O H1 3 0.423800 1.0079 0 - 9438 H2O 2474 H2O H2 3 0.423800 1.0079 0 - 9439 H2O 2475 H2O O1 4 -0.847600 15.9994 0 - 9440 H2O 2475 H2O H1 3 0.423800 1.0079 0 - 9441 H2O 2475 H2O H2 3 0.423800 1.0079 0 - 9442 H2O 2476 H2O O1 4 -0.847600 15.9994 0 - 9443 H2O 2476 H2O H1 3 0.423800 1.0079 0 - 9444 H2O 2476 H2O H2 3 0.423800 1.0079 0 - 9445 H2O 2477 H2O O1 4 -0.847600 15.9994 0 - 9446 H2O 2477 H2O H1 3 0.423800 1.0079 0 - 9447 H2O 2477 H2O H2 3 0.423800 1.0079 0 - 9448 H2O 2478 H2O O1 4 -0.847600 15.9994 0 - 9449 H2O 2478 H2O H1 3 0.423800 1.0079 0 - 9450 H2O 2478 H2O H2 3 0.423800 1.0079 0 - 9451 H2O 2479 H2O O1 4 -0.847600 15.9994 0 - 9452 H2O 2479 H2O H1 3 0.423800 1.0079 0 - 9453 H2O 2479 H2O H2 3 0.423800 1.0079 0 - 9454 H2O 2480 H2O O1 4 -0.847600 15.9994 0 - 9455 H2O 2480 H2O H1 3 0.423800 1.0079 0 - 9456 H2O 2480 H2O H2 3 0.423800 1.0079 0 - 9457 H2O 2481 H2O O1 4 -0.847600 15.9994 0 - 9458 H2O 2481 H2O H1 3 0.423800 1.0079 0 - 9459 H2O 2481 H2O H2 3 0.423800 1.0079 0 - 9460 H2O 2482 H2O O1 4 -0.847600 15.9994 0 - 9461 H2O 2482 H2O H1 3 0.423800 1.0079 0 - 9462 H2O 2482 H2O H2 3 0.423800 1.0079 0 - 9463 H2O 2483 H2O O1 4 -0.847600 15.9994 0 - 9464 H2O 2483 H2O H1 3 0.423800 1.0079 0 - 9465 H2O 2483 H2O H2 3 0.423800 1.0079 0 - 9466 H2O 2484 H2O O1 4 -0.847600 15.9994 0 - 9467 H2O 2484 H2O H1 3 0.423800 1.0079 0 - 9468 H2O 2484 H2O H2 3 0.423800 1.0079 0 - 9469 H2O 2485 H2O O1 4 -0.847600 15.9994 0 - 9470 H2O 2485 H2O H1 3 0.423800 1.0079 0 - 9471 H2O 2485 H2O H2 3 0.423800 1.0079 0 - 9472 H2O 2486 H2O O1 4 -0.847600 15.9994 0 - 9473 H2O 2486 H2O H1 3 0.423800 1.0079 0 - 9474 H2O 2486 H2O H2 3 0.423800 1.0079 0 - 9475 H2O 2487 H2O O1 4 -0.847600 15.9994 0 - 9476 H2O 2487 H2O H1 3 0.423800 1.0079 0 - 9477 H2O 2487 H2O H2 3 0.423800 1.0079 0 - 9478 H2O 2488 H2O O1 4 -0.847600 15.9994 0 - 9479 H2O 2488 H2O H1 3 0.423800 1.0079 0 - 9480 H2O 2488 H2O H2 3 0.423800 1.0079 0 - 9481 H2O 2489 H2O O1 4 -0.847600 15.9994 0 - 9482 H2O 2489 H2O H1 3 0.423800 1.0079 0 - 9483 H2O 2489 H2O H2 3 0.423800 1.0079 0 - 9484 H2O 2490 H2O O1 4 -0.847600 15.9994 0 - 9485 H2O 2490 H2O H1 3 0.423800 1.0079 0 - 9486 H2O 2490 H2O H2 3 0.423800 1.0079 0 - 9487 H2O 2491 H2O O1 4 -0.847600 15.9994 0 - 9488 H2O 2491 H2O H1 3 0.423800 1.0079 0 - 9489 H2O 2491 H2O H2 3 0.423800 1.0079 0 - 9490 H2O 2492 H2O O1 4 -0.847600 15.9994 0 - 9491 H2O 2492 H2O H1 3 0.423800 1.0079 0 - 9492 H2O 2492 H2O H2 3 0.423800 1.0079 0 - 9493 H2O 2493 H2O O1 4 -0.847600 15.9994 0 - 9494 H2O 2493 H2O H1 3 0.423800 1.0079 0 - 9495 H2O 2493 H2O H2 3 0.423800 1.0079 0 - 9496 H2O 2494 H2O O1 4 -0.847600 15.9994 0 - 9497 H2O 2494 H2O H1 3 0.423800 1.0079 0 - 9498 H2O 2494 H2O H2 3 0.423800 1.0079 0 - 9499 H2O 2495 H2O O1 4 -0.847600 15.9994 0 - 9500 H2O 2495 H2O H1 3 0.423800 1.0079 0 - 9501 H2O 2495 H2O H2 3 0.423800 1.0079 0 - 9502 H2O 2496 H2O O1 4 -0.847600 15.9994 0 - 9503 H2O 2496 H2O H1 3 0.423800 1.0079 0 - 9504 H2O 2496 H2O H2 3 0.423800 1.0079 0 - 9505 H2O 2497 H2O O1 4 -0.847600 15.9994 0 - 9506 H2O 2497 H2O H1 3 0.423800 1.0079 0 - 9507 H2O 2497 H2O H2 3 0.423800 1.0079 0 - 9508 H2O 2498 H2O O1 4 -0.847600 15.9994 0 - 9509 H2O 2498 H2O H1 3 0.423800 1.0079 0 - 9510 H2O 2498 H2O H2 3 0.423800 1.0079 0 - 9511 H2O 2499 H2O O1 4 -0.847600 15.9994 0 - 9512 H2O 2499 H2O H1 3 0.423800 1.0079 0 - 9513 H2O 2499 H2O H2 3 0.423800 1.0079 0 - 9514 H2O 2500 H2O O1 4 -0.847600 15.9994 0 - 9515 H2O 2500 H2O H1 3 0.423800 1.0079 0 - 9516 H2O 2500 H2O H2 3 0.423800 1.0079 0 - 9517 H2O 2501 H2O O1 4 -0.847600 15.9994 0 - 9518 H2O 2501 H2O H1 3 0.423800 1.0079 0 - 9519 H2O 2501 H2O H2 3 0.423800 1.0079 0 - 9520 H2O 2502 H2O O1 4 -0.847600 15.9994 0 - 9521 H2O 2502 H2O H1 3 0.423800 1.0079 0 - 9522 H2O 2502 H2O H2 3 0.423800 1.0079 0 - 9523 H2O 2503 H2O O1 4 -0.847600 15.9994 0 - 9524 H2O 2503 H2O H1 3 0.423800 1.0079 0 - 9525 H2O 2503 H2O H2 3 0.423800 1.0079 0 - 9526 H2O 2504 H2O O1 4 -0.847600 15.9994 0 - 9527 H2O 2504 H2O H1 3 0.423800 1.0079 0 - 9528 H2O 2504 H2O H2 3 0.423800 1.0079 0 - 9529 H2O 2505 H2O O1 4 -0.847600 15.9994 0 - 9530 H2O 2505 H2O H1 3 0.423800 1.0079 0 - 9531 H2O 2505 H2O H2 3 0.423800 1.0079 0 - 9532 H2O 2506 H2O O1 4 -0.847600 15.9994 0 - 9533 H2O 2506 H2O H1 3 0.423800 1.0079 0 - 9534 H2O 2506 H2O H2 3 0.423800 1.0079 0 - 9535 H2O 2507 H2O O1 4 -0.847600 15.9994 0 - 9536 H2O 2507 H2O H1 3 0.423800 1.0079 0 - 9537 H2O 2507 H2O H2 3 0.423800 1.0079 0 - 9538 H2O 2508 H2O O1 4 -0.847600 15.9994 0 - 9539 H2O 2508 H2O H1 3 0.423800 1.0079 0 - 9540 H2O 2508 H2O H2 3 0.423800 1.0079 0 - 9541 H2O 2509 H2O O1 4 -0.847600 15.9994 0 - 9542 H2O 2509 H2O H1 3 0.423800 1.0079 0 - 9543 H2O 2509 H2O H2 3 0.423800 1.0079 0 - 9544 H2O 2510 H2O O1 4 -0.847600 15.9994 0 - 9545 H2O 2510 H2O H1 3 0.423800 1.0079 0 - 9546 H2O 2510 H2O H2 3 0.423800 1.0079 0 - 9547 H2O 2511 H2O O1 4 -0.847600 15.9994 0 - 9548 H2O 2511 H2O H1 3 0.423800 1.0079 0 - 9549 H2O 2511 H2O H2 3 0.423800 1.0079 0 - 9550 H2O 2512 H2O O1 4 -0.847600 15.9994 0 - 9551 H2O 2512 H2O H1 3 0.423800 1.0079 0 - 9552 H2O 2512 H2O H2 3 0.423800 1.0079 0 - 9553 H2O 2513 H2O O1 4 -0.847600 15.9994 0 - 9554 H2O 2513 H2O H1 3 0.423800 1.0079 0 - 9555 H2O 2513 H2O H2 3 0.423800 1.0079 0 - 9556 H2O 2514 H2O O1 4 -0.847600 15.9994 0 - 9557 H2O 2514 H2O H1 3 0.423800 1.0079 0 - 9558 H2O 2514 H2O H2 3 0.423800 1.0079 0 - 9559 H2O 2515 H2O O1 4 -0.847600 15.9994 0 - 9560 H2O 2515 H2O H1 3 0.423800 1.0079 0 - 9561 H2O 2515 H2O H2 3 0.423800 1.0079 0 - 9562 H2O 2516 H2O O1 4 -0.847600 15.9994 0 - 9563 H2O 2516 H2O H1 3 0.423800 1.0079 0 - 9564 H2O 2516 H2O H2 3 0.423800 1.0079 0 - 9565 H2O 2517 H2O O1 4 -0.847600 15.9994 0 - 9566 H2O 2517 H2O H1 3 0.423800 1.0079 0 - 9567 H2O 2517 H2O H2 3 0.423800 1.0079 0 - 9568 H2O 2518 H2O O1 4 -0.847600 15.9994 0 - 9569 H2O 2518 H2O H1 3 0.423800 1.0079 0 - 9570 H2O 2518 H2O H2 3 0.423800 1.0079 0 - 9571 H2O 2519 H2O O1 4 -0.847600 15.9994 0 - 9572 H2O 2519 H2O H1 3 0.423800 1.0079 0 - 9573 H2O 2519 H2O H2 3 0.423800 1.0079 0 - 9574 H2O 2520 H2O O1 4 -0.847600 15.9994 0 - 9575 H2O 2520 H2O H1 3 0.423800 1.0079 0 - 9576 H2O 2520 H2O H2 3 0.423800 1.0079 0 - 9577 H2O 2521 H2O O1 4 -0.847600 15.9994 0 - 9578 H2O 2521 H2O H1 3 0.423800 1.0079 0 - 9579 H2O 2521 H2O H2 3 0.423800 1.0079 0 - 9580 H2O 2522 H2O O1 4 -0.847600 15.9994 0 - 9581 H2O 2522 H2O H1 3 0.423800 1.0079 0 - 9582 H2O 2522 H2O H2 3 0.423800 1.0079 0 - 9583 H2O 2523 H2O O1 4 -0.847600 15.9994 0 - 9584 H2O 2523 H2O H1 3 0.423800 1.0079 0 - 9585 H2O 2523 H2O H2 3 0.423800 1.0079 0 - 9586 H2O 2524 H2O O1 4 -0.847600 15.9994 0 - 9587 H2O 2524 H2O H1 3 0.423800 1.0079 0 - 9588 H2O 2524 H2O H2 3 0.423800 1.0079 0 - 9589 H2O 2525 H2O O1 4 -0.847600 15.9994 0 - 9590 H2O 2525 H2O H1 3 0.423800 1.0079 0 - 9591 H2O 2525 H2O H2 3 0.423800 1.0079 0 - 9592 H2O 2526 H2O O1 4 -0.847600 15.9994 0 - 9593 H2O 2526 H2O H1 3 0.423800 1.0079 0 - 9594 H2O 2526 H2O H2 3 0.423800 1.0079 0 - 9595 H2O 2527 H2O O1 4 -0.847600 15.9994 0 - 9596 H2O 2527 H2O H1 3 0.423800 1.0079 0 - 9597 H2O 2527 H2O H2 3 0.423800 1.0079 0 - 9598 H2O 2528 H2O O1 4 -0.847600 15.9994 0 - 9599 H2O 2528 H2O H1 3 0.423800 1.0079 0 - 9600 H2O 2528 H2O H2 3 0.423800 1.0079 0 - 9601 H2O 2529 H2O O1 4 -0.847600 15.9994 0 - 9602 H2O 2529 H2O H1 3 0.423800 1.0079 0 - 9603 H2O 2529 H2O H2 3 0.423800 1.0079 0 - 9604 H2O 2530 H2O O1 4 -0.847600 15.9994 0 - 9605 H2O 2530 H2O H1 3 0.423800 1.0079 0 - 9606 H2O 2530 H2O H2 3 0.423800 1.0079 0 - 9607 H2O 2531 H2O O1 4 -0.847600 15.9994 0 - 9608 H2O 2531 H2O H1 3 0.423800 1.0079 0 - 9609 H2O 2531 H2O H2 3 0.423800 1.0079 0 - 9610 H2O 2532 H2O O1 4 -0.847600 15.9994 0 - 9611 H2O 2532 H2O H1 3 0.423800 1.0079 0 - 9612 H2O 2532 H2O H2 3 0.423800 1.0079 0 - 9613 H2O 2533 H2O O1 4 -0.847600 15.9994 0 - 9614 H2O 2533 H2O H1 3 0.423800 1.0079 0 - 9615 H2O 2533 H2O H2 3 0.423800 1.0079 0 - 9616 H2O 2534 H2O O1 4 -0.847600 15.9994 0 - 9617 H2O 2534 H2O H1 3 0.423800 1.0079 0 - 9618 H2O 2534 H2O H2 3 0.423800 1.0079 0 - 9619 H2O 2535 H2O O1 4 -0.847600 15.9994 0 - 9620 H2O 2535 H2O H1 3 0.423800 1.0079 0 - 9621 H2O 2535 H2O H2 3 0.423800 1.0079 0 - 9622 H2O 2536 H2O O1 4 -0.847600 15.9994 0 - 9623 H2O 2536 H2O H1 3 0.423800 1.0079 0 - 9624 H2O 2536 H2O H2 3 0.423800 1.0079 0 - 9625 H2O 2537 H2O O1 4 -0.847600 15.9994 0 - 9626 H2O 2537 H2O H1 3 0.423800 1.0079 0 - 9627 H2O 2537 H2O H2 3 0.423800 1.0079 0 - 9628 H2O 2538 H2O O1 4 -0.847600 15.9994 0 - 9629 H2O 2538 H2O H1 3 0.423800 1.0079 0 - 9630 H2O 2538 H2O H2 3 0.423800 1.0079 0 - 9631 H2O 2539 H2O O1 4 -0.847600 15.9994 0 - 9632 H2O 2539 H2O H1 3 0.423800 1.0079 0 - 9633 H2O 2539 H2O H2 3 0.423800 1.0079 0 - 9634 H2O 2540 H2O O1 4 -0.847600 15.9994 0 - 9635 H2O 2540 H2O H1 3 0.423800 1.0079 0 - 9636 H2O 2540 H2O H2 3 0.423800 1.0079 0 - 9637 H2O 2541 H2O O1 4 -0.847600 15.9994 0 - 9638 H2O 2541 H2O H1 3 0.423800 1.0079 0 - 9639 H2O 2541 H2O H2 3 0.423800 1.0079 0 - 9640 H2O 2542 H2O O1 4 -0.847600 15.9994 0 - 9641 H2O 2542 H2O H1 3 0.423800 1.0079 0 - 9642 H2O 2542 H2O H2 3 0.423800 1.0079 0 - 9643 H2O 2543 H2O O1 4 -0.847600 15.9994 0 - 9644 H2O 2543 H2O H1 3 0.423800 1.0079 0 - 9645 H2O 2543 H2O H2 3 0.423800 1.0079 0 - 9646 H2O 2544 H2O O1 4 -0.847600 15.9994 0 - 9647 H2O 2544 H2O H1 3 0.423800 1.0079 0 - 9648 H2O 2544 H2O H2 3 0.423800 1.0079 0 - 9649 H2O 2545 H2O O1 4 -0.847600 15.9994 0 - 9650 H2O 2545 H2O H1 3 0.423800 1.0079 0 - 9651 H2O 2545 H2O H2 3 0.423800 1.0079 0 - 9652 H2O 2546 H2O O1 4 -0.847600 15.9994 0 - 9653 H2O 2546 H2O H1 3 0.423800 1.0079 0 - 9654 H2O 2546 H2O H2 3 0.423800 1.0079 0 - 9655 H2O 2547 H2O O1 4 -0.847600 15.9994 0 - 9656 H2O 2547 H2O H1 3 0.423800 1.0079 0 - 9657 H2O 2547 H2O H2 3 0.423800 1.0079 0 - 9658 H2O 2548 H2O O1 4 -0.847600 15.9994 0 - 9659 H2O 2548 H2O H1 3 0.423800 1.0079 0 - 9660 H2O 2548 H2O H2 3 0.423800 1.0079 0 - 9661 H2O 2549 H2O O1 4 -0.847600 15.9994 0 - 9662 H2O 2549 H2O H1 3 0.423800 1.0079 0 - 9663 H2O 2549 H2O H2 3 0.423800 1.0079 0 - 9664 H2O 2550 H2O O1 4 -0.847600 15.9994 0 - 9665 H2O 2550 H2O H1 3 0.423800 1.0079 0 - 9666 H2O 2550 H2O H2 3 0.423800 1.0079 0 - 9667 H2O 2551 H2O O1 4 -0.847600 15.9994 0 - 9668 H2O 2551 H2O H1 3 0.423800 1.0079 0 - 9669 H2O 2551 H2O H2 3 0.423800 1.0079 0 - 9670 H2O 2552 H2O O1 4 -0.847600 15.9994 0 - 9671 H2O 2552 H2O H1 3 0.423800 1.0079 0 - 9672 H2O 2552 H2O H2 3 0.423800 1.0079 0 - 9673 H2O 2553 H2O O1 4 -0.847600 15.9994 0 - 9674 H2O 2553 H2O H1 3 0.423800 1.0079 0 - 9675 H2O 2553 H2O H2 3 0.423800 1.0079 0 - 9676 H2O 2554 H2O O1 4 -0.847600 15.9994 0 - 9677 H2O 2554 H2O H1 3 0.423800 1.0079 0 - 9678 H2O 2554 H2O H2 3 0.423800 1.0079 0 - 9679 H2O 2555 H2O O1 4 -0.847600 15.9994 0 - 9680 H2O 2555 H2O H1 3 0.423800 1.0079 0 - 9681 H2O 2555 H2O H2 3 0.423800 1.0079 0 - 9682 H2O 2556 H2O O1 4 -0.847600 15.9994 0 - 9683 H2O 2556 H2O H1 3 0.423800 1.0079 0 - 9684 H2O 2556 H2O H2 3 0.423800 1.0079 0 - 9685 H2O 2557 H2O O1 4 -0.847600 15.9994 0 - 9686 H2O 2557 H2O H1 3 0.423800 1.0079 0 - 9687 H2O 2557 H2O H2 3 0.423800 1.0079 0 - 9688 H2O 2558 H2O O1 4 -0.847600 15.9994 0 - 9689 H2O 2558 H2O H1 3 0.423800 1.0079 0 - 9690 H2O 2558 H2O H2 3 0.423800 1.0079 0 - 9691 H2O 2559 H2O O1 4 -0.847600 15.9994 0 - 9692 H2O 2559 H2O H1 3 0.423800 1.0079 0 - 9693 H2O 2559 H2O H2 3 0.423800 1.0079 0 - 9694 H2O 2560 H2O O1 4 -0.847600 15.9994 0 - 9695 H2O 2560 H2O H1 3 0.423800 1.0079 0 - 9696 H2O 2560 H2O H2 3 0.423800 1.0079 0 - 9697 H2O 2561 H2O O1 4 -0.847600 15.9994 0 - 9698 H2O 2561 H2O H1 3 0.423800 1.0079 0 - 9699 H2O 2561 H2O H2 3 0.423800 1.0079 0 - 9700 H2O 2562 H2O O1 4 -0.847600 15.9994 0 - 9701 H2O 2562 H2O H1 3 0.423800 1.0079 0 - 9702 H2O 2562 H2O H2 3 0.423800 1.0079 0 - 9703 H2O 2563 H2O O1 4 -0.847600 15.9994 0 - 9704 H2O 2563 H2O H1 3 0.423800 1.0079 0 - 9705 H2O 2563 H2O H2 3 0.423800 1.0079 0 - 9706 H2O 2564 H2O O1 4 -0.847600 15.9994 0 - 9707 H2O 2564 H2O H1 3 0.423800 1.0079 0 - 9708 H2O 2564 H2O H2 3 0.423800 1.0079 0 - 9709 H2O 2565 H2O O1 4 -0.847600 15.9994 0 - 9710 H2O 2565 H2O H1 3 0.423800 1.0079 0 - 9711 H2O 2565 H2O H2 3 0.423800 1.0079 0 - 9712 H2O 2566 H2O O1 4 -0.847600 15.9994 0 - 9713 H2O 2566 H2O H1 3 0.423800 1.0079 0 - 9714 H2O 2566 H2O H2 3 0.423800 1.0079 0 - 9715 H2O 2567 H2O O1 4 -0.847600 15.9994 0 - 9716 H2O 2567 H2O H1 3 0.423800 1.0079 0 - 9717 H2O 2567 H2O H2 3 0.423800 1.0079 0 - 9718 H2O 2568 H2O O1 4 -0.847600 15.9994 0 - 9719 H2O 2568 H2O H1 3 0.423800 1.0079 0 - 9720 H2O 2568 H2O H2 3 0.423800 1.0079 0 - 9721 H2O 2569 H2O O1 4 -0.847600 15.9994 0 - 9722 H2O 2569 H2O H1 3 0.423800 1.0079 0 - 9723 H2O 2569 H2O H2 3 0.423800 1.0079 0 - 9724 H2O 2570 H2O O1 4 -0.847600 15.9994 0 - 9725 H2O 2570 H2O H1 3 0.423800 1.0079 0 - 9726 H2O 2570 H2O H2 3 0.423800 1.0079 0 - 9727 H2O 2571 H2O O1 4 -0.847600 15.9994 0 - 9728 H2O 2571 H2O H1 3 0.423800 1.0079 0 - 9729 H2O 2571 H2O H2 3 0.423800 1.0079 0 - 9730 H2O 2572 H2O O1 4 -0.847600 15.9994 0 - 9731 H2O 2572 H2O H1 3 0.423800 1.0079 0 - 9732 H2O 2572 H2O H2 3 0.423800 1.0079 0 - 9733 H2O 2573 H2O O1 4 -0.847600 15.9994 0 - 9734 H2O 2573 H2O H1 3 0.423800 1.0079 0 - 9735 H2O 2573 H2O H2 3 0.423800 1.0079 0 - 9736 H2O 2574 H2O O1 4 -0.847600 15.9994 0 - 9737 H2O 2574 H2O H1 3 0.423800 1.0079 0 - 9738 H2O 2574 H2O H2 3 0.423800 1.0079 0 - 9739 H2O 2575 H2O O1 4 -0.847600 15.9994 0 - 9740 H2O 2575 H2O H1 3 0.423800 1.0079 0 - 9741 H2O 2575 H2O H2 3 0.423800 1.0079 0 - 9742 H2O 2576 H2O O1 4 -0.847600 15.9994 0 - 9743 H2O 2576 H2O H1 3 0.423800 1.0079 0 - 9744 H2O 2576 H2O H2 3 0.423800 1.0079 0 - 9745 H2O 2577 H2O O1 4 -0.847600 15.9994 0 - 9746 H2O 2577 H2O H1 3 0.423800 1.0079 0 - 9747 H2O 2577 H2O H2 3 0.423800 1.0079 0 - 9748 H2O 2578 H2O O1 4 -0.847600 15.9994 0 - 9749 H2O 2578 H2O H1 3 0.423800 1.0079 0 - 9750 H2O 2578 H2O H2 3 0.423800 1.0079 0 - 9751 H2O 2579 H2O O1 4 -0.847600 15.9994 0 - 9752 H2O 2579 H2O H1 3 0.423800 1.0079 0 - 9753 H2O 2579 H2O H2 3 0.423800 1.0079 0 - 9754 H2O 2580 H2O O1 4 -0.847600 15.9994 0 - 9755 H2O 2580 H2O H1 3 0.423800 1.0079 0 - 9756 H2O 2580 H2O H2 3 0.423800 1.0079 0 - 9757 H2O 2581 H2O O1 4 -0.847600 15.9994 0 - 9758 H2O 2581 H2O H1 3 0.423800 1.0079 0 - 9759 H2O 2581 H2O H2 3 0.423800 1.0079 0 - 9760 H2O 2582 H2O O1 4 -0.847600 15.9994 0 - 9761 H2O 2582 H2O H1 3 0.423800 1.0079 0 - 9762 H2O 2582 H2O H2 3 0.423800 1.0079 0 - 9763 H2O 2583 H2O O1 4 -0.847600 15.9994 0 - 9764 H2O 2583 H2O H1 3 0.423800 1.0079 0 - 9765 H2O 2583 H2O H2 3 0.423800 1.0079 0 - 9766 H2O 2584 H2O O1 4 -0.847600 15.9994 0 - 9767 H2O 2584 H2O H1 3 0.423800 1.0079 0 - 9768 H2O 2584 H2O H2 3 0.423800 1.0079 0 - 9769 H2O 2585 H2O O1 4 -0.847600 15.9994 0 - 9770 H2O 2585 H2O H1 3 0.423800 1.0079 0 - 9771 H2O 2585 H2O H2 3 0.423800 1.0079 0 - 9772 H2O 2586 H2O O1 4 -0.847600 15.9994 0 - 9773 H2O 2586 H2O H1 3 0.423800 1.0079 0 - 9774 H2O 2586 H2O H2 3 0.423800 1.0079 0 - 9775 H2O 2587 H2O O1 4 -0.847600 15.9994 0 - 9776 H2O 2587 H2O H1 3 0.423800 1.0079 0 - 9777 H2O 2587 H2O H2 3 0.423800 1.0079 0 - 9778 H2O 2588 H2O O1 4 -0.847600 15.9994 0 - 9779 H2O 2588 H2O H1 3 0.423800 1.0079 0 - 9780 H2O 2588 H2O H2 3 0.423800 1.0079 0 - 9781 H2O 2589 H2O O1 4 -0.847600 15.9994 0 - 9782 H2O 2589 H2O H1 3 0.423800 1.0079 0 - 9783 H2O 2589 H2O H2 3 0.423800 1.0079 0 - 9784 H2O 2590 H2O O1 4 -0.847600 15.9994 0 - 9785 H2O 2590 H2O H1 3 0.423800 1.0079 0 - 9786 H2O 2590 H2O H2 3 0.423800 1.0079 0 - 9787 H2O 2591 H2O O1 4 -0.847600 15.9994 0 - 9788 H2O 2591 H2O H1 3 0.423800 1.0079 0 - 9789 H2O 2591 H2O H2 3 0.423800 1.0079 0 - 9790 H2O 2592 H2O O1 4 -0.847600 15.9994 0 - 9791 H2O 2592 H2O H1 3 0.423800 1.0079 0 - 9792 H2O 2592 H2O H2 3 0.423800 1.0079 0 - 9793 H2O 2593 H2O O1 4 -0.847600 15.9994 0 - 9794 H2O 2593 H2O H1 3 0.423800 1.0079 0 - 9795 H2O 2593 H2O H2 3 0.423800 1.0079 0 - 9796 H2O 2594 H2O O1 4 -0.847600 15.9994 0 - 9797 H2O 2594 H2O H1 3 0.423800 1.0079 0 - 9798 H2O 2594 H2O H2 3 0.423800 1.0079 0 - 9799 H2O 2595 H2O O1 4 -0.847600 15.9994 0 - 9800 H2O 2595 H2O H1 3 0.423800 1.0079 0 - 9801 H2O 2595 H2O H2 3 0.423800 1.0079 0 - 9802 H2O 2596 H2O O1 4 -0.847600 15.9994 0 - 9803 H2O 2596 H2O H1 3 0.423800 1.0079 0 - 9804 H2O 2596 H2O H2 3 0.423800 1.0079 0 - 9805 H2O 2597 H2O O1 4 -0.847600 15.9994 0 - 9806 H2O 2597 H2O H1 3 0.423800 1.0079 0 - 9807 H2O 2597 H2O H2 3 0.423800 1.0079 0 - 9808 H2O 2598 H2O O1 4 -0.847600 15.9994 0 - 9809 H2O 2598 H2O H1 3 0.423800 1.0079 0 - 9810 H2O 2598 H2O H2 3 0.423800 1.0079 0 - 9811 H2O 2599 H2O O1 4 -0.847600 15.9994 0 - 9812 H2O 2599 H2O H1 3 0.423800 1.0079 0 - 9813 H2O 2599 H2O H2 3 0.423800 1.0079 0 - 9814 H2O 2600 H2O O1 4 -0.847600 15.9994 0 - 9815 H2O 2600 H2O H1 3 0.423800 1.0079 0 - 9816 H2O 2600 H2O H2 3 0.423800 1.0079 0 - 9817 H2O 2601 H2O O1 4 -0.847600 15.9994 0 - 9818 H2O 2601 H2O H1 3 0.423800 1.0079 0 - 9819 H2O 2601 H2O H2 3 0.423800 1.0079 0 - 9820 H2O 2602 H2O O1 4 -0.847600 15.9994 0 - 9821 H2O 2602 H2O H1 3 0.423800 1.0079 0 - 9822 H2O 2602 H2O H2 3 0.423800 1.0079 0 - 9823 H2O 2603 H2O O1 4 -0.847600 15.9994 0 - 9824 H2O 2603 H2O H1 3 0.423800 1.0079 0 - 9825 H2O 2603 H2O H2 3 0.423800 1.0079 0 - 9826 H2O 2604 H2O O1 4 -0.847600 15.9994 0 - 9827 H2O 2604 H2O H1 3 0.423800 1.0079 0 - 9828 H2O 2604 H2O H2 3 0.423800 1.0079 0 - 9829 H2O 2605 H2O O1 4 -0.847600 15.9994 0 - 9830 H2O 2605 H2O H1 3 0.423800 1.0079 0 - 9831 H2O 2605 H2O H2 3 0.423800 1.0079 0 - 9832 H2O 2606 H2O O1 4 -0.847600 15.9994 0 - 9833 H2O 2606 H2O H1 3 0.423800 1.0079 0 - 9834 H2O 2606 H2O H2 3 0.423800 1.0079 0 - 9835 H2O 2607 H2O O1 4 -0.847600 15.9994 0 - 9836 H2O 2607 H2O H1 3 0.423800 1.0079 0 - 9837 H2O 2607 H2O H2 3 0.423800 1.0079 0 - 9838 H2O 2608 H2O O1 4 -0.847600 15.9994 0 - 9839 H2O 2608 H2O H1 3 0.423800 1.0079 0 - 9840 H2O 2608 H2O H2 3 0.423800 1.0079 0 - 9841 H2O 2609 H2O O1 4 -0.847600 15.9994 0 - 9842 H2O 2609 H2O H1 3 0.423800 1.0079 0 - 9843 H2O 2609 H2O H2 3 0.423800 1.0079 0 - 9844 H2O 2610 H2O O1 4 -0.847600 15.9994 0 - 9845 H2O 2610 H2O H1 3 0.423800 1.0079 0 - 9846 H2O 2610 H2O H2 3 0.423800 1.0079 0 - 9847 H2O 2611 H2O O1 4 -0.847600 15.9994 0 - 9848 H2O 2611 H2O H1 3 0.423800 1.0079 0 - 9849 H2O 2611 H2O H2 3 0.423800 1.0079 0 - 9850 H2O 2612 H2O O1 4 -0.847600 15.9994 0 - 9851 H2O 2612 H2O H1 3 0.423800 1.0079 0 - 9852 H2O 2612 H2O H2 3 0.423800 1.0079 0 - 9853 H2O 2613 H2O O1 4 -0.847600 15.9994 0 - 9854 H2O 2613 H2O H1 3 0.423800 1.0079 0 - 9855 H2O 2613 H2O H2 3 0.423800 1.0079 0 - 9856 H2O 2614 H2O O1 4 -0.847600 15.9994 0 - 9857 H2O 2614 H2O H1 3 0.423800 1.0079 0 - 9858 H2O 2614 H2O H2 3 0.423800 1.0079 0 - 9859 H2O 2615 H2O O1 4 -0.847600 15.9994 0 - 9860 H2O 2615 H2O H1 3 0.423800 1.0079 0 - 9861 H2O 2615 H2O H2 3 0.423800 1.0079 0 - 9862 H2O 2616 H2O O1 4 -0.847600 15.9994 0 - 9863 H2O 2616 H2O H1 3 0.423800 1.0079 0 - 9864 H2O 2616 H2O H2 3 0.423800 1.0079 0 - 9865 H2O 2617 H2O O1 4 -0.847600 15.9994 0 - 9866 H2O 2617 H2O H1 3 0.423800 1.0079 0 - 9867 H2O 2617 H2O H2 3 0.423800 1.0079 0 - 9868 H2O 2618 H2O O1 4 -0.847600 15.9994 0 - 9869 H2O 2618 H2O H1 3 0.423800 1.0079 0 - 9870 H2O 2618 H2O H2 3 0.423800 1.0079 0 - 9871 H2O 2619 H2O O1 4 -0.847600 15.9994 0 - 9872 H2O 2619 H2O H1 3 0.423800 1.0079 0 - 9873 H2O 2619 H2O H2 3 0.423800 1.0079 0 - 9874 H2O 2620 H2O O1 4 -0.847600 15.9994 0 - 9875 H2O 2620 H2O H1 3 0.423800 1.0079 0 - 9876 H2O 2620 H2O H2 3 0.423800 1.0079 0 - 9877 H2O 2621 H2O O1 4 -0.847600 15.9994 0 - 9878 H2O 2621 H2O H1 3 0.423800 1.0079 0 - 9879 H2O 2621 H2O H2 3 0.423800 1.0079 0 - 9880 H2O 2622 H2O O1 4 -0.847600 15.9994 0 - 9881 H2O 2622 H2O H1 3 0.423800 1.0079 0 - 9882 H2O 2622 H2O H2 3 0.423800 1.0079 0 - 9883 H2O 2623 H2O O1 4 -0.847600 15.9994 0 - 9884 H2O 2623 H2O H1 3 0.423800 1.0079 0 - 9885 H2O 2623 H2O H2 3 0.423800 1.0079 0 - 9886 H2O 2624 H2O O1 4 -0.847600 15.9994 0 - 9887 H2O 2624 H2O H1 3 0.423800 1.0079 0 - 9888 H2O 2624 H2O H2 3 0.423800 1.0079 0 - 9889 H2O 2625 H2O O1 4 -0.847600 15.9994 0 - 9890 H2O 2625 H2O H1 3 0.423800 1.0079 0 - 9891 H2O 2625 H2O H2 3 0.423800 1.0079 0 - 9892 H2O 2626 H2O O1 4 -0.847600 15.9994 0 - 9893 H2O 2626 H2O H1 3 0.423800 1.0079 0 - 9894 H2O 2626 H2O H2 3 0.423800 1.0079 0 - 9895 H2O 2627 H2O O1 4 -0.847600 15.9994 0 - 9896 H2O 2627 H2O H1 3 0.423800 1.0079 0 - 9897 H2O 2627 H2O H2 3 0.423800 1.0079 0 - 9898 H2O 2628 H2O O1 4 -0.847600 15.9994 0 - 9899 H2O 2628 H2O H1 3 0.423800 1.0079 0 - 9900 H2O 2628 H2O H2 3 0.423800 1.0079 0 - 9901 H2O 2629 H2O O1 4 -0.847600 15.9994 0 - 9902 H2O 2629 H2O H1 3 0.423800 1.0079 0 - 9903 H2O 2629 H2O H2 3 0.423800 1.0079 0 - 9904 H2O 2630 H2O O1 4 -0.847600 15.9994 0 - 9905 H2O 2630 H2O H1 3 0.423800 1.0079 0 - 9906 H2O 2630 H2O H2 3 0.423800 1.0079 0 - 9907 H2O 2631 H2O O1 4 -0.847600 15.9994 0 - 9908 H2O 2631 H2O H1 3 0.423800 1.0079 0 - 9909 H2O 2631 H2O H2 3 0.423800 1.0079 0 - 9910 H2O 2632 H2O O1 4 -0.847600 15.9994 0 - 9911 H2O 2632 H2O H1 3 0.423800 1.0079 0 - 9912 H2O 2632 H2O H2 3 0.423800 1.0079 0 - 9913 H2O 2633 H2O O1 4 -0.847600 15.9994 0 - 9914 H2O 2633 H2O H1 3 0.423800 1.0079 0 - 9915 H2O 2633 H2O H2 3 0.423800 1.0079 0 - 9916 H2O 2634 H2O O1 4 -0.847600 15.9994 0 - 9917 H2O 2634 H2O H1 3 0.423800 1.0079 0 - 9918 H2O 2634 H2O H2 3 0.423800 1.0079 0 - 9919 H2O 2635 H2O O1 4 -0.847600 15.9994 0 - 9920 H2O 2635 H2O H1 3 0.423800 1.0079 0 - 9921 H2O 2635 H2O H2 3 0.423800 1.0079 0 - 9922 H2O 2636 H2O O1 4 -0.847600 15.9994 0 - 9923 H2O 2636 H2O H1 3 0.423800 1.0079 0 - 9924 H2O 2636 H2O H2 3 0.423800 1.0079 0 - 9925 H2O 2637 H2O O1 4 -0.847600 15.9994 0 - 9926 H2O 2637 H2O H1 3 0.423800 1.0079 0 - 9927 H2O 2637 H2O H2 3 0.423800 1.0079 0 - 9928 H2O 2638 H2O O1 4 -0.847600 15.9994 0 - 9929 H2O 2638 H2O H1 3 0.423800 1.0079 0 - 9930 H2O 2638 H2O H2 3 0.423800 1.0079 0 - 9931 H2O 2639 H2O O1 4 -0.847600 15.9994 0 - 9932 H2O 2639 H2O H1 3 0.423800 1.0079 0 - 9933 H2O 2639 H2O H2 3 0.423800 1.0079 0 - 9934 H2O 2640 H2O O1 4 -0.847600 15.9994 0 - 9935 H2O 2640 H2O H1 3 0.423800 1.0079 0 - 9936 H2O 2640 H2O H2 3 0.423800 1.0079 0 - 9937 H2O 2641 H2O O1 4 -0.847600 15.9994 0 - 9938 H2O 2641 H2O H1 3 0.423800 1.0079 0 - 9939 H2O 2641 H2O H2 3 0.423800 1.0079 0 - 9940 H2O 2642 H2O O1 4 -0.847600 15.9994 0 - 9941 H2O 2642 H2O H1 3 0.423800 1.0079 0 - 9942 H2O 2642 H2O H2 3 0.423800 1.0079 0 - 9943 H2O 2643 H2O O1 4 -0.847600 15.9994 0 - 9944 H2O 2643 H2O H1 3 0.423800 1.0079 0 - 9945 H2O 2643 H2O H2 3 0.423800 1.0079 0 - 9946 H2O 2644 H2O O1 4 -0.847600 15.9994 0 - 9947 H2O 2644 H2O H1 3 0.423800 1.0079 0 - 9948 H2O 2644 H2O H2 3 0.423800 1.0079 0 - 9949 H2O 2645 H2O O1 4 -0.847600 15.9994 0 - 9950 H2O 2645 H2O H1 3 0.423800 1.0079 0 - 9951 H2O 2645 H2O H2 3 0.423800 1.0079 0 - 9952 H2O 2646 H2O O1 4 -0.847600 15.9994 0 - 9953 H2O 2646 H2O H1 3 0.423800 1.0079 0 - 9954 H2O 2646 H2O H2 3 0.423800 1.0079 0 - 9955 H2O 2647 H2O O1 4 -0.847600 15.9994 0 - 9956 H2O 2647 H2O H1 3 0.423800 1.0079 0 - 9957 H2O 2647 H2O H2 3 0.423800 1.0079 0 - 9958 H2O 2648 H2O O1 4 -0.847600 15.9994 0 - 9959 H2O 2648 H2O H1 3 0.423800 1.0079 0 - 9960 H2O 2648 H2O H2 3 0.423800 1.0079 0 - 9961 H2O 2649 H2O O1 4 -0.847600 15.9994 0 - 9962 H2O 2649 H2O H1 3 0.423800 1.0079 0 - 9963 H2O 2649 H2O H2 3 0.423800 1.0079 0 - 9964 H2O 2650 H2O O1 4 -0.847600 15.9994 0 - 9965 H2O 2650 H2O H1 3 0.423800 1.0079 0 - 9966 H2O 2650 H2O H2 3 0.423800 1.0079 0 - 9967 H2O 2651 H2O O1 4 -0.847600 15.9994 0 - 9968 H2O 2651 H2O H1 3 0.423800 1.0079 0 - 9969 H2O 2651 H2O H2 3 0.423800 1.0079 0 - 9970 H2O 2652 H2O O1 4 -0.847600 15.9994 0 - 9971 H2O 2652 H2O H1 3 0.423800 1.0079 0 - 9972 H2O 2652 H2O H2 3 0.423800 1.0079 0 - 9973 H2O 2653 H2O O1 4 -0.847600 15.9994 0 - 9974 H2O 2653 H2O H1 3 0.423800 1.0079 0 - 9975 H2O 2653 H2O H2 3 0.423800 1.0079 0 - 9976 H2O 2654 H2O O1 4 -0.847600 15.9994 0 - 9977 H2O 2654 H2O H1 3 0.423800 1.0079 0 - 9978 H2O 2654 H2O H2 3 0.423800 1.0079 0 - 9979 H2O 2655 H2O O1 4 -0.847600 15.9994 0 - 9980 H2O 2655 H2O H1 3 0.423800 1.0079 0 - 9981 H2O 2655 H2O H2 3 0.423800 1.0079 0 - 9982 H2O 2656 H2O O1 4 -0.847600 15.9994 0 - 9983 H2O 2656 H2O H1 3 0.423800 1.0079 0 - 9984 H2O 2656 H2O H2 3 0.423800 1.0079 0 - 9985 H2O 2657 H2O O1 4 -0.847600 15.9994 0 - 9986 H2O 2657 H2O H1 3 0.423800 1.0079 0 - 9987 H2O 2657 H2O H2 3 0.423800 1.0079 0 - 9988 H2O 2658 H2O O1 4 -0.847600 15.9994 0 - 9989 H2O 2658 H2O H1 3 0.423800 1.0079 0 - 9990 H2O 2658 H2O H2 3 0.423800 1.0079 0 - 9991 H2O 2659 H2O O1 4 -0.847600 15.9994 0 - 9992 H2O 2659 H2O H1 3 0.423800 1.0079 0 - 9993 H2O 2659 H2O H2 3 0.423800 1.0079 0 - 9994 H2O 2660 H2O O1 4 -0.847600 15.9994 0 - 9995 H2O 2660 H2O H1 3 0.423800 1.0079 0 - 9996 H2O 2660 H2O H2 3 0.423800 1.0079 0 - 9997 H2O 2661 H2O O1 4 -0.847600 15.9994 0 - 9998 H2O 2661 H2O H1 3 0.423800 1.0079 0 - 9999 H2O 2661 H2O H2 3 0.423800 1.0079 0 - 10000 H2O 2662 H2O O1 4 -0.847600 15.9994 0 - 10001 H2O 2662 H2O H1 3 0.423800 1.0079 0 - 10002 H2O 2662 H2O H2 3 0.423800 1.0079 0 - 10003 H2O 2663 H2O O1 4 -0.847600 15.9994 0 - 10004 H2O 2663 H2O H1 3 0.423800 1.0079 0 - 10005 H2O 2663 H2O H2 3 0.423800 1.0079 0 - 10006 H2O 2664 H2O O1 4 -0.847600 15.9994 0 - 10007 H2O 2664 H2O H1 3 0.423800 1.0079 0 - 10008 H2O 2664 H2O H2 3 0.423800 1.0079 0 - 10009 H2O 2665 H2O O1 4 -0.847600 15.9994 0 - 10010 H2O 2665 H2O H1 3 0.423800 1.0079 0 - 10011 H2O 2665 H2O H2 3 0.423800 1.0079 0 - 10012 H2O 2666 H2O O1 4 -0.847600 15.9994 0 - 10013 H2O 2666 H2O H1 3 0.423800 1.0079 0 - 10014 H2O 2666 H2O H2 3 0.423800 1.0079 0 - 10015 H2O 2667 H2O O1 4 -0.847600 15.9994 0 - 10016 H2O 2667 H2O H1 3 0.423800 1.0079 0 - 10017 H2O 2667 H2O H2 3 0.423800 1.0079 0 - 10018 H2O 2668 H2O O1 4 -0.847600 15.9994 0 - 10019 H2O 2668 H2O H1 3 0.423800 1.0079 0 - 10020 H2O 2668 H2O H2 3 0.423800 1.0079 0 - 10021 H2O 2669 H2O O1 4 -0.847600 15.9994 0 - 10022 H2O 2669 H2O H1 3 0.423800 1.0079 0 - 10023 H2O 2669 H2O H2 3 0.423800 1.0079 0 - 10024 H2O 2670 H2O O1 4 -0.847600 15.9994 0 - 10025 H2O 2670 H2O H1 3 0.423800 1.0079 0 - 10026 H2O 2670 H2O H2 3 0.423800 1.0079 0 - 10027 H2O 2671 H2O O1 4 -0.847600 15.9994 0 - 10028 H2O 2671 H2O H1 3 0.423800 1.0079 0 - 10029 H2O 2671 H2O H2 3 0.423800 1.0079 0 - 10030 H2O 2672 H2O O1 4 -0.847600 15.9994 0 - 10031 H2O 2672 H2O H1 3 0.423800 1.0079 0 - 10032 H2O 2672 H2O H2 3 0.423800 1.0079 0 - 10033 H2O 2673 H2O O1 4 -0.847600 15.9994 0 - 10034 H2O 2673 H2O H1 3 0.423800 1.0079 0 - 10035 H2O 2673 H2O H2 3 0.423800 1.0079 0 - 10036 H2O 2674 H2O O1 4 -0.847600 15.9994 0 - 10037 H2O 2674 H2O H1 3 0.423800 1.0079 0 - 10038 H2O 2674 H2O H2 3 0.423800 1.0079 0 - 10039 H2O 2675 H2O O1 4 -0.847600 15.9994 0 - 10040 H2O 2675 H2O H1 3 0.423800 1.0079 0 - 10041 H2O 2675 H2O H2 3 0.423800 1.0079 0 - 10042 H2O 2676 H2O O1 4 -0.847600 15.9994 0 - 10043 H2O 2676 H2O H1 3 0.423800 1.0079 0 - 10044 H2O 2676 H2O H2 3 0.423800 1.0079 0 - 10045 H2O 2677 H2O O1 4 -0.847600 15.9994 0 - 10046 H2O 2677 H2O H1 3 0.423800 1.0079 0 - 10047 H2O 2677 H2O H2 3 0.423800 1.0079 0 - 10048 H2O 2678 H2O O1 4 -0.847600 15.9994 0 - 10049 H2O 2678 H2O H1 3 0.423800 1.0079 0 - 10050 H2O 2678 H2O H2 3 0.423800 1.0079 0 - 10051 H2O 2679 H2O O1 4 -0.847600 15.9994 0 - 10052 H2O 2679 H2O H1 3 0.423800 1.0079 0 - 10053 H2O 2679 H2O H2 3 0.423800 1.0079 0 - 10054 H2O 2680 H2O O1 4 -0.847600 15.9994 0 - 10055 H2O 2680 H2O H1 3 0.423800 1.0079 0 - 10056 H2O 2680 H2O H2 3 0.423800 1.0079 0 - 10057 H2O 2681 H2O O1 4 -0.847600 15.9994 0 - 10058 H2O 2681 H2O H1 3 0.423800 1.0079 0 - 10059 H2O 2681 H2O H2 3 0.423800 1.0079 0 - 10060 H2O 2682 H2O O1 4 -0.847600 15.9994 0 - 10061 H2O 2682 H2O H1 3 0.423800 1.0079 0 - 10062 H2O 2682 H2O H2 3 0.423800 1.0079 0 - 10063 H2O 2683 H2O O1 4 -0.847600 15.9994 0 - 10064 H2O 2683 H2O H1 3 0.423800 1.0079 0 - 10065 H2O 2683 H2O H2 3 0.423800 1.0079 0 - 10066 H2O 2684 H2O O1 4 -0.847600 15.9994 0 - 10067 H2O 2684 H2O H1 3 0.423800 1.0079 0 - 10068 H2O 2684 H2O H2 3 0.423800 1.0079 0 - 10069 H2O 2685 H2O O1 4 -0.847600 15.9994 0 - 10070 H2O 2685 H2O H1 3 0.423800 1.0079 0 - 10071 H2O 2685 H2O H2 3 0.423800 1.0079 0 - 10072 H2O 2686 H2O O1 4 -0.847600 15.9994 0 - 10073 H2O 2686 H2O H1 3 0.423800 1.0079 0 - 10074 H2O 2686 H2O H2 3 0.423800 1.0079 0 - 10075 H2O 2687 H2O O1 4 -0.847600 15.9994 0 - 10076 H2O 2687 H2O H1 3 0.423800 1.0079 0 - 10077 H2O 2687 H2O H2 3 0.423800 1.0079 0 - 10078 H2O 2688 H2O O1 4 -0.847600 15.9994 0 - 10079 H2O 2688 H2O H1 3 0.423800 1.0079 0 - 10080 H2O 2688 H2O H2 3 0.423800 1.0079 0 - 10081 H2O 2689 H2O O1 4 -0.847600 15.9994 0 - 10082 H2O 2689 H2O H1 3 0.423800 1.0079 0 - 10083 H2O 2689 H2O H2 3 0.423800 1.0079 0 - 10084 H2O 2690 H2O O1 4 -0.847600 15.9994 0 - 10085 H2O 2690 H2O H1 3 0.423800 1.0079 0 - 10086 H2O 2690 H2O H2 3 0.423800 1.0079 0 - 10087 H2O 2691 H2O O1 4 -0.847600 15.9994 0 - 10088 H2O 2691 H2O H1 3 0.423800 1.0079 0 - 10089 H2O 2691 H2O H2 3 0.423800 1.0079 0 - 10090 H2O 2692 H2O O1 4 -0.847600 15.9994 0 - 10091 H2O 2692 H2O H1 3 0.423800 1.0079 0 - 10092 H2O 2692 H2O H2 3 0.423800 1.0079 0 - 10093 H2O 2693 H2O O1 4 -0.847600 15.9994 0 - 10094 H2O 2693 H2O H1 3 0.423800 1.0079 0 - 10095 H2O 2693 H2O H2 3 0.423800 1.0079 0 - 10096 H2O 2694 H2O O1 4 -0.847600 15.9994 0 - 10097 H2O 2694 H2O H1 3 0.423800 1.0079 0 - 10098 H2O 2694 H2O H2 3 0.423800 1.0079 0 - 10099 H2O 2695 H2O O1 4 -0.847600 15.9994 0 - 10100 H2O 2695 H2O H1 3 0.423800 1.0079 0 - 10101 H2O 2695 H2O H2 3 0.423800 1.0079 0 - 10102 H2O 2696 H2O O1 4 -0.847600 15.9994 0 - 10103 H2O 2696 H2O H1 3 0.423800 1.0079 0 - 10104 H2O 2696 H2O H2 3 0.423800 1.0079 0 - 10105 H2O 2697 H2O O1 4 -0.847600 15.9994 0 - 10106 H2O 2697 H2O H1 3 0.423800 1.0079 0 - 10107 H2O 2697 H2O H2 3 0.423800 1.0079 0 - 10108 H2O 2698 H2O O1 4 -0.847600 15.9994 0 - 10109 H2O 2698 H2O H1 3 0.423800 1.0079 0 - 10110 H2O 2698 H2O H2 3 0.423800 1.0079 0 - 10111 H2O 2699 H2O O1 4 -0.847600 15.9994 0 - 10112 H2O 2699 H2O H1 3 0.423800 1.0079 0 - 10113 H2O 2699 H2O H2 3 0.423800 1.0079 0 - 10114 H2O 2700 H2O O1 4 -0.847600 15.9994 0 - 10115 H2O 2700 H2O H1 3 0.423800 1.0079 0 - 10116 H2O 2700 H2O H2 3 0.423800 1.0079 0 - 10117 H2O 2701 H2O O1 4 -0.847600 15.9994 0 - 10118 H2O 2701 H2O H1 3 0.423800 1.0079 0 - 10119 H2O 2701 H2O H2 3 0.423800 1.0079 0 - 10120 H2O 2702 H2O O1 4 -0.847600 15.9994 0 - 10121 H2O 2702 H2O H1 3 0.423800 1.0079 0 - 10122 H2O 2702 H2O H2 3 0.423800 1.0079 0 - 10123 H2O 2703 H2O O1 4 -0.847600 15.9994 0 - 10124 H2O 2703 H2O H1 3 0.423800 1.0079 0 - 10125 H2O 2703 H2O H2 3 0.423800 1.0079 0 - 10126 H2O 2704 H2O O1 4 -0.847600 15.9994 0 - 10127 H2O 2704 H2O H1 3 0.423800 1.0079 0 - 10128 H2O 2704 H2O H2 3 0.423800 1.0079 0 - 10129 H2O 2705 H2O O1 4 -0.847600 15.9994 0 - 10130 H2O 2705 H2O H1 3 0.423800 1.0079 0 - 10131 H2O 2705 H2O H2 3 0.423800 1.0079 0 - 10132 H2O 2706 H2O O1 4 -0.847600 15.9994 0 - 10133 H2O 2706 H2O H1 3 0.423800 1.0079 0 - 10134 H2O 2706 H2O H2 3 0.423800 1.0079 0 - 10135 H2O 2707 H2O O1 4 -0.847600 15.9994 0 - 10136 H2O 2707 H2O H1 3 0.423800 1.0079 0 - 10137 H2O 2707 H2O H2 3 0.423800 1.0079 0 - 10138 H2O 2708 H2O O1 4 -0.847600 15.9994 0 - 10139 H2O 2708 H2O H1 3 0.423800 1.0079 0 - 10140 H2O 2708 H2O H2 3 0.423800 1.0079 0 - 10141 H2O 2709 H2O O1 4 -0.847600 15.9994 0 - 10142 H2O 2709 H2O H1 3 0.423800 1.0079 0 - 10143 H2O 2709 H2O H2 3 0.423800 1.0079 0 - 10144 H2O 2710 H2O O1 4 -0.847600 15.9994 0 - 10145 H2O 2710 H2O H1 3 0.423800 1.0079 0 - 10146 H2O 2710 H2O H2 3 0.423800 1.0079 0 - 10147 H2O 2711 H2O O1 4 -0.847600 15.9994 0 - 10148 H2O 2711 H2O H1 3 0.423800 1.0079 0 - 10149 H2O 2711 H2O H2 3 0.423800 1.0079 0 - 10150 H2O 2712 H2O O1 4 -0.847600 15.9994 0 - 10151 H2O 2712 H2O H1 3 0.423800 1.0079 0 - 10152 H2O 2712 H2O H2 3 0.423800 1.0079 0 - 10153 H2O 2713 H2O O1 4 -0.847600 15.9994 0 - 10154 H2O 2713 H2O H1 3 0.423800 1.0079 0 - 10155 H2O 2713 H2O H2 3 0.423800 1.0079 0 - 10156 H2O 2714 H2O O1 4 -0.847600 15.9994 0 - 10157 H2O 2714 H2O H1 3 0.423800 1.0079 0 - 10158 H2O 2714 H2O H2 3 0.423800 1.0079 0 - 10159 H2O 2715 H2O O1 4 -0.847600 15.9994 0 - 10160 H2O 2715 H2O H1 3 0.423800 1.0079 0 - 10161 H2O 2715 H2O H2 3 0.423800 1.0079 0 - 10162 H2O 2716 H2O O1 4 -0.847600 15.9994 0 - 10163 H2O 2716 H2O H1 3 0.423800 1.0079 0 - 10164 H2O 2716 H2O H2 3 0.423800 1.0079 0 - 10165 H2O 2717 H2O O1 4 -0.847600 15.9994 0 - 10166 H2O 2717 H2O H1 3 0.423800 1.0079 0 - 10167 H2O 2717 H2O H2 3 0.423800 1.0079 0 - 10168 H2O 2718 H2O O1 4 -0.847600 15.9994 0 - 10169 H2O 2718 H2O H1 3 0.423800 1.0079 0 - 10170 H2O 2718 H2O H2 3 0.423800 1.0079 0 - 10171 H2O 2719 H2O O1 4 -0.847600 15.9994 0 - 10172 H2O 2719 H2O H1 3 0.423800 1.0079 0 - 10173 H2O 2719 H2O H2 3 0.423800 1.0079 0 - 10174 H2O 2720 H2O O1 4 -0.847600 15.9994 0 - 10175 H2O 2720 H2O H1 3 0.423800 1.0079 0 - 10176 H2O 2720 H2O H2 3 0.423800 1.0079 0 - 10177 H2O 2721 H2O O1 4 -0.847600 15.9994 0 - 10178 H2O 2721 H2O H1 3 0.423800 1.0079 0 - 10179 H2O 2721 H2O H2 3 0.423800 1.0079 0 - 10180 H2O 2722 H2O O1 4 -0.847600 15.9994 0 - 10181 H2O 2722 H2O H1 3 0.423800 1.0079 0 - 10182 H2O 2722 H2O H2 3 0.423800 1.0079 0 - 10183 H2O 2723 H2O O1 4 -0.847600 15.9994 0 - 10184 H2O 2723 H2O H1 3 0.423800 1.0079 0 - 10185 H2O 2723 H2O H2 3 0.423800 1.0079 0 - 10186 H2O 2724 H2O O1 4 -0.847600 15.9994 0 - 10187 H2O 2724 H2O H1 3 0.423800 1.0079 0 - 10188 H2O 2724 H2O H2 3 0.423800 1.0079 0 - 10189 H2O 2725 H2O O1 4 -0.847600 15.9994 0 - 10190 H2O 2725 H2O H1 3 0.423800 1.0079 0 - 10191 H2O 2725 H2O H2 3 0.423800 1.0079 0 - 10192 H2O 2726 H2O O1 4 -0.847600 15.9994 0 - 10193 H2O 2726 H2O H1 3 0.423800 1.0079 0 - 10194 H2O 2726 H2O H2 3 0.423800 1.0079 0 - 10195 H2O 2727 H2O O1 4 -0.847600 15.9994 0 - 10196 H2O 2727 H2O H1 3 0.423800 1.0079 0 - 10197 H2O 2727 H2O H2 3 0.423800 1.0079 0 - 10198 H2O 2728 H2O O1 4 -0.847600 15.9994 0 - 10199 H2O 2728 H2O H1 3 0.423800 1.0079 0 - 10200 H2O 2728 H2O H2 3 0.423800 1.0079 0 - 10201 H2O 2729 H2O O1 4 -0.847600 15.9994 0 - 10202 H2O 2729 H2O H1 3 0.423800 1.0079 0 - 10203 H2O 2729 H2O H2 3 0.423800 1.0079 0 - 10204 H2O 2730 H2O O1 4 -0.847600 15.9994 0 - 10205 H2O 2730 H2O H1 3 0.423800 1.0079 0 - 10206 H2O 2730 H2O H2 3 0.423800 1.0079 0 - 10207 H2O 2731 H2O O1 4 -0.847600 15.9994 0 - 10208 H2O 2731 H2O H1 3 0.423800 1.0079 0 - 10209 H2O 2731 H2O H2 3 0.423800 1.0079 0 - 10210 H2O 2732 H2O O1 4 -0.847600 15.9994 0 - 10211 H2O 2732 H2O H1 3 0.423800 1.0079 0 - 10212 H2O 2732 H2O H2 3 0.423800 1.0079 0 - 10213 H2O 2733 H2O O1 4 -0.847600 15.9994 0 - 10214 H2O 2733 H2O H1 3 0.423800 1.0079 0 - 10215 H2O 2733 H2O H2 3 0.423800 1.0079 0 - 10216 H2O 2734 H2O O1 4 -0.847600 15.9994 0 - 10217 H2O 2734 H2O H1 3 0.423800 1.0079 0 - 10218 H2O 2734 H2O H2 3 0.423800 1.0079 0 - 10219 H2O 2735 H2O O1 4 -0.847600 15.9994 0 - 10220 H2O 2735 H2O H1 3 0.423800 1.0079 0 - 10221 H2O 2735 H2O H2 3 0.423800 1.0079 0 - 10222 H2O 2736 H2O O1 4 -0.847600 15.9994 0 - 10223 H2O 2736 H2O H1 3 0.423800 1.0079 0 - 10224 H2O 2736 H2O H2 3 0.423800 1.0079 0 - 10225 H2O 2737 H2O O1 4 -0.847600 15.9994 0 - 10226 H2O 2737 H2O H1 3 0.423800 1.0079 0 - 10227 H2O 2737 H2O H2 3 0.423800 1.0079 0 - 10228 H2O 2738 H2O O1 4 -0.847600 15.9994 0 - 10229 H2O 2738 H2O H1 3 0.423800 1.0079 0 - 10230 H2O 2738 H2O H2 3 0.423800 1.0079 0 - 10231 H2O 2739 H2O O1 4 -0.847600 15.9994 0 - 10232 H2O 2739 H2O H1 3 0.423800 1.0079 0 - 10233 H2O 2739 H2O H2 3 0.423800 1.0079 0 - 10234 H2O 2740 H2O O1 4 -0.847600 15.9994 0 - 10235 H2O 2740 H2O H1 3 0.423800 1.0079 0 - 10236 H2O 2740 H2O H2 3 0.423800 1.0079 0 - 10237 H2O 2741 H2O O1 4 -0.847600 15.9994 0 - 10238 H2O 2741 H2O H1 3 0.423800 1.0079 0 - 10239 H2O 2741 H2O H2 3 0.423800 1.0079 0 - 10240 H2O 2742 H2O O1 4 -0.847600 15.9994 0 - 10241 H2O 2742 H2O H1 3 0.423800 1.0079 0 - 10242 H2O 2742 H2O H2 3 0.423800 1.0079 0 - 10243 H2O 2743 H2O O1 4 -0.847600 15.9994 0 - 10244 H2O 2743 H2O H1 3 0.423800 1.0079 0 - 10245 H2O 2743 H2O H2 3 0.423800 1.0079 0 - 10246 H2O 2744 H2O O1 4 -0.847600 15.9994 0 - 10247 H2O 2744 H2O H1 3 0.423800 1.0079 0 - 10248 H2O 2744 H2O H2 3 0.423800 1.0079 0 - 10249 H2O 2745 H2O O1 4 -0.847600 15.9994 0 - 10250 H2O 2745 H2O H1 3 0.423800 1.0079 0 - 10251 H2O 2745 H2O H2 3 0.423800 1.0079 0 - 10252 H2O 2746 H2O O1 4 -0.847600 15.9994 0 - 10253 H2O 2746 H2O H1 3 0.423800 1.0079 0 - 10254 H2O 2746 H2O H2 3 0.423800 1.0079 0 - 10255 H2O 2747 H2O O1 4 -0.847600 15.9994 0 - 10256 H2O 2747 H2O H1 3 0.423800 1.0079 0 - 10257 H2O 2747 H2O H2 3 0.423800 1.0079 0 - 10258 H2O 2748 H2O O1 4 -0.847600 15.9994 0 - 10259 H2O 2748 H2O H1 3 0.423800 1.0079 0 - 10260 H2O 2748 H2O H2 3 0.423800 1.0079 0 - 10261 H2O 2749 H2O O1 4 -0.847600 15.9994 0 - 10262 H2O 2749 H2O H1 3 0.423800 1.0079 0 - 10263 H2O 2749 H2O H2 3 0.423800 1.0079 0 - 10264 H2O 2750 H2O O1 4 -0.847600 15.9994 0 - 10265 H2O 2750 H2O H1 3 0.423800 1.0079 0 - 10266 H2O 2750 H2O H2 3 0.423800 1.0079 0 - 10267 H2O 2751 H2O O1 4 -0.847600 15.9994 0 - 10268 H2O 2751 H2O H1 3 0.423800 1.0079 0 - 10269 H2O 2751 H2O H2 3 0.423800 1.0079 0 - 10270 H2O 2752 H2O O1 4 -0.847600 15.9994 0 - 10271 H2O 2752 H2O H1 3 0.423800 1.0079 0 - 10272 H2O 2752 H2O H2 3 0.423800 1.0079 0 - 10273 H2O 2753 H2O O1 4 -0.847600 15.9994 0 - 10274 H2O 2753 H2O H1 3 0.423800 1.0079 0 - 10275 H2O 2753 H2O H2 3 0.423800 1.0079 0 - 10276 H2O 2754 H2O O1 4 -0.847600 15.9994 0 - 10277 H2O 2754 H2O H1 3 0.423800 1.0079 0 - 10278 H2O 2754 H2O H2 3 0.423800 1.0079 0 - 10279 H2O 2755 H2O O1 4 -0.847600 15.9994 0 - 10280 H2O 2755 H2O H1 3 0.423800 1.0079 0 - 10281 H2O 2755 H2O H2 3 0.423800 1.0079 0 - 10282 H2O 2756 H2O O1 4 -0.847600 15.9994 0 - 10283 H2O 2756 H2O H1 3 0.423800 1.0079 0 - 10284 H2O 2756 H2O H2 3 0.423800 1.0079 0 - 10285 H2O 2757 H2O O1 4 -0.847600 15.9994 0 - 10286 H2O 2757 H2O H1 3 0.423800 1.0079 0 - 10287 H2O 2757 H2O H2 3 0.423800 1.0079 0 - 10288 H2O 2758 H2O O1 4 -0.847600 15.9994 0 - 10289 H2O 2758 H2O H1 3 0.423800 1.0079 0 - 10290 H2O 2758 H2O H2 3 0.423800 1.0079 0 - 10291 H2O 2759 H2O O1 4 -0.847600 15.9994 0 - 10292 H2O 2759 H2O H1 3 0.423800 1.0079 0 - 10293 H2O 2759 H2O H2 3 0.423800 1.0079 0 - 10294 H2O 2760 H2O O1 4 -0.847600 15.9994 0 - 10295 H2O 2760 H2O H1 3 0.423800 1.0079 0 - 10296 H2O 2760 H2O H2 3 0.423800 1.0079 0 - 10297 H2O 2761 H2O O1 4 -0.847600 15.9994 0 - 10298 H2O 2761 H2O H1 3 0.423800 1.0079 0 - 10299 H2O 2761 H2O H2 3 0.423800 1.0079 0 - 10300 H2O 2762 H2O O1 4 -0.847600 15.9994 0 - 10301 H2O 2762 H2O H1 3 0.423800 1.0079 0 - 10302 H2O 2762 H2O H2 3 0.423800 1.0079 0 - 10303 H2O 2763 H2O O1 4 -0.847600 15.9994 0 - 10304 H2O 2763 H2O H1 3 0.423800 1.0079 0 - 10305 H2O 2763 H2O H2 3 0.423800 1.0079 0 - 10306 H2O 2764 H2O O1 4 -0.847600 15.9994 0 - 10307 H2O 2764 H2O H1 3 0.423800 1.0079 0 - 10308 H2O 2764 H2O H2 3 0.423800 1.0079 0 - 10309 H2O 2765 H2O O1 4 -0.847600 15.9994 0 - 10310 H2O 2765 H2O H1 3 0.423800 1.0079 0 - 10311 H2O 2765 H2O H2 3 0.423800 1.0079 0 - 10312 H2O 2766 H2O O1 4 -0.847600 15.9994 0 - 10313 H2O 2766 H2O H1 3 0.423800 1.0079 0 - 10314 H2O 2766 H2O H2 3 0.423800 1.0079 0 - 10315 H2O 2767 H2O O1 4 -0.847600 15.9994 0 - 10316 H2O 2767 H2O H1 3 0.423800 1.0079 0 - 10317 H2O 2767 H2O H2 3 0.423800 1.0079 0 - 10318 H2O 2768 H2O O1 4 -0.847600 15.9994 0 - 10319 H2O 2768 H2O H1 3 0.423800 1.0079 0 - 10320 H2O 2768 H2O H2 3 0.423800 1.0079 0 - 10321 H2O 2769 H2O O1 4 -0.847600 15.9994 0 - 10322 H2O 2769 H2O H1 3 0.423800 1.0079 0 - 10323 H2O 2769 H2O H2 3 0.423800 1.0079 0 - 10324 H2O 2770 H2O O1 4 -0.847600 15.9994 0 - 10325 H2O 2770 H2O H1 3 0.423800 1.0079 0 - 10326 H2O 2770 H2O H2 3 0.423800 1.0079 0 - 10327 H2O 2771 H2O O1 4 -0.847600 15.9994 0 - 10328 H2O 2771 H2O H1 3 0.423800 1.0079 0 - 10329 H2O 2771 H2O H2 3 0.423800 1.0079 0 - 10330 H2O 2772 H2O O1 4 -0.847600 15.9994 0 - 10331 H2O 2772 H2O H1 3 0.423800 1.0079 0 - 10332 H2O 2772 H2O H2 3 0.423800 1.0079 0 - 10333 H2O 2773 H2O O1 4 -0.847600 15.9994 0 - 10334 H2O 2773 H2O H1 3 0.423800 1.0079 0 - 10335 H2O 2773 H2O H2 3 0.423800 1.0079 0 - 10336 H2O 2774 H2O O1 4 -0.847600 15.9994 0 - 10337 H2O 2774 H2O H1 3 0.423800 1.0079 0 - 10338 H2O 2774 H2O H2 3 0.423800 1.0079 0 - 10339 H2O 2775 H2O O1 4 -0.847600 15.9994 0 - 10340 H2O 2775 H2O H1 3 0.423800 1.0079 0 - 10341 H2O 2775 H2O H2 3 0.423800 1.0079 0 - 10342 H2O 2776 H2O O1 4 -0.847600 15.9994 0 - 10343 H2O 2776 H2O H1 3 0.423800 1.0079 0 - 10344 H2O 2776 H2O H2 3 0.423800 1.0079 0 - 10345 H2O 2777 H2O O1 4 -0.847600 15.9994 0 - 10346 H2O 2777 H2O H1 3 0.423800 1.0079 0 - 10347 H2O 2777 H2O H2 3 0.423800 1.0079 0 - 10348 H2O 2778 H2O O1 4 -0.847600 15.9994 0 - 10349 H2O 2778 H2O H1 3 0.423800 1.0079 0 - 10350 H2O 2778 H2O H2 3 0.423800 1.0079 0 - 10351 H2O 2779 H2O O1 4 -0.847600 15.9994 0 - 10352 H2O 2779 H2O H1 3 0.423800 1.0079 0 - 10353 H2O 2779 H2O H2 3 0.423800 1.0079 0 - 10354 H2O 2780 H2O O1 4 -0.847600 15.9994 0 - 10355 H2O 2780 H2O H1 3 0.423800 1.0079 0 - 10356 H2O 2780 H2O H2 3 0.423800 1.0079 0 - 10357 H2O 2781 H2O O1 4 -0.847600 15.9994 0 - 10358 H2O 2781 H2O H1 3 0.423800 1.0079 0 - 10359 H2O 2781 H2O H2 3 0.423800 1.0079 0 - 10360 H2O 2782 H2O O1 4 -0.847600 15.9994 0 - 10361 H2O 2782 H2O H1 3 0.423800 1.0079 0 - 10362 H2O 2782 H2O H2 3 0.423800 1.0079 0 - 10363 H2O 2783 H2O O1 4 -0.847600 15.9994 0 - 10364 H2O 2783 H2O H1 3 0.423800 1.0079 0 - 10365 H2O 2783 H2O H2 3 0.423800 1.0079 0 - 10366 H2O 2784 H2O O1 4 -0.847600 15.9994 0 - 10367 H2O 2784 H2O H1 3 0.423800 1.0079 0 - 10368 H2O 2784 H2O H2 3 0.423800 1.0079 0 - 10369 H2O 2785 H2O O1 4 -0.847600 15.9994 0 - 10370 H2O 2785 H2O H1 3 0.423800 1.0079 0 - 10371 H2O 2785 H2O H2 3 0.423800 1.0079 0 - 10372 H2O 2786 H2O O1 4 -0.847600 15.9994 0 - 10373 H2O 2786 H2O H1 3 0.423800 1.0079 0 - 10374 H2O 2786 H2O H2 3 0.423800 1.0079 0 - 10375 H2O 2787 H2O O1 4 -0.847600 15.9994 0 - 10376 H2O 2787 H2O H1 3 0.423800 1.0079 0 - 10377 H2O 2787 H2O H2 3 0.423800 1.0079 0 - 10378 H2O 2788 H2O O1 4 -0.847600 15.9994 0 - 10379 H2O 2788 H2O H1 3 0.423800 1.0079 0 - 10380 H2O 2788 H2O H2 3 0.423800 1.0079 0 - 10381 H2O 2789 H2O O1 4 -0.847600 15.9994 0 - 10382 H2O 2789 H2O H1 3 0.423800 1.0079 0 - 10383 H2O 2789 H2O H2 3 0.423800 1.0079 0 - 10384 H2O 2790 H2O O1 4 -0.847600 15.9994 0 - 10385 H2O 2790 H2O H1 3 0.423800 1.0079 0 - 10386 H2O 2790 H2O H2 3 0.423800 1.0079 0 - 10387 H2O 2791 H2O O1 4 -0.847600 15.9994 0 - 10388 H2O 2791 H2O H1 3 0.423800 1.0079 0 - 10389 H2O 2791 H2O H2 3 0.423800 1.0079 0 - 10390 H2O 2792 H2O O1 4 -0.847600 15.9994 0 - 10391 H2O 2792 H2O H1 3 0.423800 1.0079 0 - 10392 H2O 2792 H2O H2 3 0.423800 1.0079 0 - 10393 H2O 2793 H2O O1 4 -0.847600 15.9994 0 - 10394 H2O 2793 H2O H1 3 0.423800 1.0079 0 - 10395 H2O 2793 H2O H2 3 0.423800 1.0079 0 - 10396 H2O 2794 H2O O1 4 -0.847600 15.9994 0 - 10397 H2O 2794 H2O H1 3 0.423800 1.0079 0 - 10398 H2O 2794 H2O H2 3 0.423800 1.0079 0 - 10399 H2O 2795 H2O O1 4 -0.847600 15.9994 0 - 10400 H2O 2795 H2O H1 3 0.423800 1.0079 0 - 10401 H2O 2795 H2O H2 3 0.423800 1.0079 0 - 10402 H2O 2796 H2O O1 4 -0.847600 15.9994 0 - 10403 H2O 2796 H2O H1 3 0.423800 1.0079 0 - 10404 H2O 2796 H2O H2 3 0.423800 1.0079 0 - 10405 H2O 2797 H2O O1 4 -0.847600 15.9994 0 - 10406 H2O 2797 H2O H1 3 0.423800 1.0079 0 - 10407 H2O 2797 H2O H2 3 0.423800 1.0079 0 - 10408 H2O 2798 H2O O1 4 -0.847600 15.9994 0 - 10409 H2O 2798 H2O H1 3 0.423800 1.0079 0 - 10410 H2O 2798 H2O H2 3 0.423800 1.0079 0 - 10411 H2O 2799 H2O O1 4 -0.847600 15.9994 0 - 10412 H2O 2799 H2O H1 3 0.423800 1.0079 0 - 10413 H2O 2799 H2O H2 3 0.423800 1.0079 0 - 10414 H2O 2800 H2O O1 4 -0.847600 15.9994 0 - 10415 H2O 2800 H2O H1 3 0.423800 1.0079 0 - 10416 H2O 2800 H2O H2 3 0.423800 1.0079 0 - 10417 H2O 2801 H2O O1 4 -0.847600 15.9994 0 - 10418 H2O 2801 H2O H1 3 0.423800 1.0079 0 - 10419 H2O 2801 H2O H2 3 0.423800 1.0079 0 - 10420 H2O 2802 H2O O1 4 -0.847600 15.9994 0 - 10421 H2O 2802 H2O H1 3 0.423800 1.0079 0 - 10422 H2O 2802 H2O H2 3 0.423800 1.0079 0 - 10423 H2O 2803 H2O O1 4 -0.847600 15.9994 0 - 10424 H2O 2803 H2O H1 3 0.423800 1.0079 0 - 10425 H2O 2803 H2O H2 3 0.423800 1.0079 0 - 10426 H2O 2804 H2O O1 4 -0.847600 15.9994 0 - 10427 H2O 2804 H2O H1 3 0.423800 1.0079 0 - 10428 H2O 2804 H2O H2 3 0.423800 1.0079 0 - 10429 H2O 2805 H2O O1 4 -0.847600 15.9994 0 - 10430 H2O 2805 H2O H1 3 0.423800 1.0079 0 - 10431 H2O 2805 H2O H2 3 0.423800 1.0079 0 - 10432 H2O 2806 H2O O1 4 -0.847600 15.9994 0 - 10433 H2O 2806 H2O H1 3 0.423800 1.0079 0 - 10434 H2O 2806 H2O H2 3 0.423800 1.0079 0 - 10435 H2O 2807 H2O O1 4 -0.847600 15.9994 0 - 10436 H2O 2807 H2O H1 3 0.423800 1.0079 0 - 10437 H2O 2807 H2O H2 3 0.423800 1.0079 0 - 10438 H2O 2808 H2O O1 4 -0.847600 15.9994 0 - 10439 H2O 2808 H2O H1 3 0.423800 1.0079 0 - 10440 H2O 2808 H2O H2 3 0.423800 1.0079 0 - 10441 H2O 2809 H2O O1 4 -0.847600 15.9994 0 - 10442 H2O 2809 H2O H1 3 0.423800 1.0079 0 - 10443 H2O 2809 H2O H2 3 0.423800 1.0079 0 - 10444 H2O 2810 H2O O1 4 -0.847600 15.9994 0 - 10445 H2O 2810 H2O H1 3 0.423800 1.0079 0 - 10446 H2O 2810 H2O H2 3 0.423800 1.0079 0 - 10447 H2O 2811 H2O O1 4 -0.847600 15.9994 0 - 10448 H2O 2811 H2O H1 3 0.423800 1.0079 0 - 10449 H2O 2811 H2O H2 3 0.423800 1.0079 0 - 10450 H2O 2812 H2O O1 4 -0.847600 15.9994 0 - 10451 H2O 2812 H2O H1 3 0.423800 1.0079 0 - 10452 H2O 2812 H2O H2 3 0.423800 1.0079 0 - 10453 H2O 2813 H2O O1 4 -0.847600 15.9994 0 - 10454 H2O 2813 H2O H1 3 0.423800 1.0079 0 - 10455 H2O 2813 H2O H2 3 0.423800 1.0079 0 - 10456 H2O 2814 H2O O1 4 -0.847600 15.9994 0 - 10457 H2O 2814 H2O H1 3 0.423800 1.0079 0 - 10458 H2O 2814 H2O H2 3 0.423800 1.0079 0 - 10459 H2O 2815 H2O O1 4 -0.847600 15.9994 0 - 10460 H2O 2815 H2O H1 3 0.423800 1.0079 0 - 10461 H2O 2815 H2O H2 3 0.423800 1.0079 0 - 10462 H2O 2816 H2O O1 4 -0.847600 15.9994 0 - 10463 H2O 2816 H2O H1 3 0.423800 1.0079 0 - 10464 H2O 2816 H2O H2 3 0.423800 1.0079 0 - 10465 H2O 2817 H2O O1 4 -0.847600 15.9994 0 - 10466 H2O 2817 H2O H1 3 0.423800 1.0079 0 - 10467 H2O 2817 H2O H2 3 0.423800 1.0079 0 - 10468 H2O 2818 H2O O1 4 -0.847600 15.9994 0 - 10469 H2O 2818 H2O H1 3 0.423800 1.0079 0 - 10470 H2O 2818 H2O H2 3 0.423800 1.0079 0 - 10471 H2O 2819 H2O O1 4 -0.847600 15.9994 0 - 10472 H2O 2819 H2O H1 3 0.423800 1.0079 0 - 10473 H2O 2819 H2O H2 3 0.423800 1.0079 0 - 10474 H2O 2820 H2O O1 4 -0.847600 15.9994 0 - 10475 H2O 2820 H2O H1 3 0.423800 1.0079 0 - 10476 H2O 2820 H2O H2 3 0.423800 1.0079 0 - 10477 H2O 2821 H2O O1 4 -0.847600 15.9994 0 - 10478 H2O 2821 H2O H1 3 0.423800 1.0079 0 - 10479 H2O 2821 H2O H2 3 0.423800 1.0079 0 - 10480 H2O 2822 H2O O1 4 -0.847600 15.9994 0 - 10481 H2O 2822 H2O H1 3 0.423800 1.0079 0 - 10482 H2O 2822 H2O H2 3 0.423800 1.0079 0 - 10483 H2O 2823 H2O O1 4 -0.847600 15.9994 0 - 10484 H2O 2823 H2O H1 3 0.423800 1.0079 0 - 10485 H2O 2823 H2O H2 3 0.423800 1.0079 0 - 10486 H2O 2824 H2O O1 4 -0.847600 15.9994 0 - 10487 H2O 2824 H2O H1 3 0.423800 1.0079 0 - 10488 H2O 2824 H2O H2 3 0.423800 1.0079 0 - 10489 H2O 2825 H2O O1 4 -0.847600 15.9994 0 - 10490 H2O 2825 H2O H1 3 0.423800 1.0079 0 - 10491 H2O 2825 H2O H2 3 0.423800 1.0079 0 - 10492 H2O 2826 H2O O1 4 -0.847600 15.9994 0 - 10493 H2O 2826 H2O H1 3 0.423800 1.0079 0 - 10494 H2O 2826 H2O H2 3 0.423800 1.0079 0 - 10495 H2O 2827 H2O O1 4 -0.847600 15.9994 0 - 10496 H2O 2827 H2O H1 3 0.423800 1.0079 0 - 10497 H2O 2827 H2O H2 3 0.423800 1.0079 0 - 10498 H2O 2828 H2O O1 4 -0.847600 15.9994 0 - 10499 H2O 2828 H2O H1 3 0.423800 1.0079 0 - 10500 H2O 2828 H2O H2 3 0.423800 1.0079 0 - 10501 H2O 2829 H2O O1 4 -0.847600 15.9994 0 - 10502 H2O 2829 H2O H1 3 0.423800 1.0079 0 - 10503 H2O 2829 H2O H2 3 0.423800 1.0079 0 - 10504 H2O 2830 H2O O1 4 -0.847600 15.9994 0 - 10505 H2O 2830 H2O H1 3 0.423800 1.0079 0 - 10506 H2O 2830 H2O H2 3 0.423800 1.0079 0 - 10507 H2O 2831 H2O O1 4 -0.847600 15.9994 0 - 10508 H2O 2831 H2O H1 3 0.423800 1.0079 0 - 10509 H2O 2831 H2O H2 3 0.423800 1.0079 0 - 10510 H2O 2832 H2O O1 4 -0.847600 15.9994 0 - 10511 H2O 2832 H2O H1 3 0.423800 1.0079 0 - 10512 H2O 2832 H2O H2 3 0.423800 1.0079 0 - 10513 H2O 2833 H2O O1 4 -0.847600 15.9994 0 - 10514 H2O 2833 H2O H1 3 0.423800 1.0079 0 - 10515 H2O 2833 H2O H2 3 0.423800 1.0079 0 - 10516 H2O 2834 H2O O1 4 -0.847600 15.9994 0 - 10517 H2O 2834 H2O H1 3 0.423800 1.0079 0 - 10518 H2O 2834 H2O H2 3 0.423800 1.0079 0 - 10519 H2O 2835 H2O O1 4 -0.847600 15.9994 0 - 10520 H2O 2835 H2O H1 3 0.423800 1.0079 0 - 10521 H2O 2835 H2O H2 3 0.423800 1.0079 0 - 10522 H2O 2836 H2O O1 4 -0.847600 15.9994 0 - 10523 H2O 2836 H2O H1 3 0.423800 1.0079 0 - 10524 H2O 2836 H2O H2 3 0.423800 1.0079 0 - 10525 H2O 2837 H2O O1 4 -0.847600 15.9994 0 - 10526 H2O 2837 H2O H1 3 0.423800 1.0079 0 - 10527 H2O 2837 H2O H2 3 0.423800 1.0079 0 - 10528 H2O 2838 H2O O1 4 -0.847600 15.9994 0 - 10529 H2O 2838 H2O H1 3 0.423800 1.0079 0 - 10530 H2O 2838 H2O H2 3 0.423800 1.0079 0 - 10531 H2O 2839 H2O O1 4 -0.847600 15.9994 0 - 10532 H2O 2839 H2O H1 3 0.423800 1.0079 0 - 10533 H2O 2839 H2O H2 3 0.423800 1.0079 0 - 10534 H2O 2840 H2O O1 4 -0.847600 15.9994 0 - 10535 H2O 2840 H2O H1 3 0.423800 1.0079 0 - 10536 H2O 2840 H2O H2 3 0.423800 1.0079 0 - 10537 H2O 2841 H2O O1 4 -0.847600 15.9994 0 - 10538 H2O 2841 H2O H1 3 0.423800 1.0079 0 - 10539 H2O 2841 H2O H2 3 0.423800 1.0079 0 - 10540 H2O 2842 H2O O1 4 -0.847600 15.9994 0 - 10541 H2O 2842 H2O H1 3 0.423800 1.0079 0 - 10542 H2O 2842 H2O H2 3 0.423800 1.0079 0 - 10543 H2O 2843 H2O O1 4 -0.847600 15.9994 0 - 10544 H2O 2843 H2O H1 3 0.423800 1.0079 0 - 10545 H2O 2843 H2O H2 3 0.423800 1.0079 0 - 10546 H2O 2844 H2O O1 4 -0.847600 15.9994 0 - 10547 H2O 2844 H2O H1 3 0.423800 1.0079 0 - 10548 H2O 2844 H2O H2 3 0.423800 1.0079 0 - 10549 H2O 2845 H2O O1 4 -0.847600 15.9994 0 - 10550 H2O 2845 H2O H1 3 0.423800 1.0079 0 - 10551 H2O 2845 H2O H2 3 0.423800 1.0079 0 - 10552 H2O 2846 H2O O1 4 -0.847600 15.9994 0 - 10553 H2O 2846 H2O H1 3 0.423800 1.0079 0 - 10554 H2O 2846 H2O H2 3 0.423800 1.0079 0 - 10555 H2O 2847 H2O O1 4 -0.847600 15.9994 0 - 10556 H2O 2847 H2O H1 3 0.423800 1.0079 0 - 10557 H2O 2847 H2O H2 3 0.423800 1.0079 0 - 10558 H2O 2848 H2O O1 4 -0.847600 15.9994 0 - 10559 H2O 2848 H2O H1 3 0.423800 1.0079 0 - 10560 H2O 2848 H2O H2 3 0.423800 1.0079 0 - 10561 H2O 2849 H2O O1 4 -0.847600 15.9994 0 - 10562 H2O 2849 H2O H1 3 0.423800 1.0079 0 - 10563 H2O 2849 H2O H2 3 0.423800 1.0079 0 - 10564 H2O 2850 H2O O1 4 -0.847600 15.9994 0 - 10565 H2O 2850 H2O H1 3 0.423800 1.0079 0 - 10566 H2O 2850 H2O H2 3 0.423800 1.0079 0 - 10567 H2O 2851 H2O O1 4 -0.847600 15.9994 0 - 10568 H2O 2851 H2O H1 3 0.423800 1.0079 0 - 10569 H2O 2851 H2O H2 3 0.423800 1.0079 0 - 10570 H2O 2852 H2O O1 4 -0.847600 15.9994 0 - 10571 H2O 2852 H2O H1 3 0.423800 1.0079 0 - 10572 H2O 2852 H2O H2 3 0.423800 1.0079 0 - 10573 H2O 2853 H2O O1 4 -0.847600 15.9994 0 - 10574 H2O 2853 H2O H1 3 0.423800 1.0079 0 - 10575 H2O 2853 H2O H2 3 0.423800 1.0079 0 - 10576 H2O 2854 H2O O1 4 -0.847600 15.9994 0 - 10577 H2O 2854 H2O H1 3 0.423800 1.0079 0 - 10578 H2O 2854 H2O H2 3 0.423800 1.0079 0 - 10579 H2O 2855 H2O O1 4 -0.847600 15.9994 0 - 10580 H2O 2855 H2O H1 3 0.423800 1.0079 0 - 10581 H2O 2855 H2O H2 3 0.423800 1.0079 0 - 10582 H2O 2856 H2O O1 4 -0.847600 15.9994 0 - 10583 H2O 2856 H2O H1 3 0.423800 1.0079 0 - 10584 H2O 2856 H2O H2 3 0.423800 1.0079 0 - 10585 H2O 2857 H2O O1 4 -0.847600 15.9994 0 - 10586 H2O 2857 H2O H1 3 0.423800 1.0079 0 - 10587 H2O 2857 H2O H2 3 0.423800 1.0079 0 - 10588 H2O 2858 H2O O1 4 -0.847600 15.9994 0 - 10589 H2O 2858 H2O H1 3 0.423800 1.0079 0 - 10590 H2O 2858 H2O H2 3 0.423800 1.0079 0 - 10591 H2O 2859 H2O O1 4 -0.847600 15.9994 0 - 10592 H2O 2859 H2O H1 3 0.423800 1.0079 0 - 10593 H2O 2859 H2O H2 3 0.423800 1.0079 0 - 10594 H2O 2860 H2O O1 4 -0.847600 15.9994 0 - 10595 H2O 2860 H2O H1 3 0.423800 1.0079 0 - 10596 H2O 2860 H2O H2 3 0.423800 1.0079 0 - 10597 H2O 2861 H2O O1 4 -0.847600 15.9994 0 - 10598 H2O 2861 H2O H1 3 0.423800 1.0079 0 - 10599 H2O 2861 H2O H2 3 0.423800 1.0079 0 - 10600 H2O 2862 H2O O1 4 -0.847600 15.9994 0 - 10601 H2O 2862 H2O H1 3 0.423800 1.0079 0 - 10602 H2O 2862 H2O H2 3 0.423800 1.0079 0 - 10603 H2O 2863 H2O O1 4 -0.847600 15.9994 0 - 10604 H2O 2863 H2O H1 3 0.423800 1.0079 0 - 10605 H2O 2863 H2O H2 3 0.423800 1.0079 0 - 10606 H2O 2864 H2O O1 4 -0.847600 15.9994 0 - 10607 H2O 2864 H2O H1 3 0.423800 1.0079 0 - 10608 H2O 2864 H2O H2 3 0.423800 1.0079 0 - 10609 H2O 2865 H2O O1 4 -0.847600 15.9994 0 - 10610 H2O 2865 H2O H1 3 0.423800 1.0079 0 - 10611 H2O 2865 H2O H2 3 0.423800 1.0079 0 - 10612 H2O 2866 H2O O1 4 -0.847600 15.9994 0 - 10613 H2O 2866 H2O H1 3 0.423800 1.0079 0 - 10614 H2O 2866 H2O H2 3 0.423800 1.0079 0 - 10615 H2O 2867 H2O O1 4 -0.847600 15.9994 0 - 10616 H2O 2867 H2O H1 3 0.423800 1.0079 0 - 10617 H2O 2867 H2O H2 3 0.423800 1.0079 0 - 10618 H2O 2868 H2O O1 4 -0.847600 15.9994 0 - 10619 H2O 2868 H2O H1 3 0.423800 1.0079 0 - 10620 H2O 2868 H2O H2 3 0.423800 1.0079 0 - 10621 H2O 2869 H2O O1 4 -0.847600 15.9994 0 - 10622 H2O 2869 H2O H1 3 0.423800 1.0079 0 - 10623 H2O 2869 H2O H2 3 0.423800 1.0079 0 - 10624 H2O 2870 H2O O1 4 -0.847600 15.9994 0 - 10625 H2O 2870 H2O H1 3 0.423800 1.0079 0 - 10626 H2O 2870 H2O H2 3 0.423800 1.0079 0 - 10627 H2O 2871 H2O O1 4 -0.847600 15.9994 0 - 10628 H2O 2871 H2O H1 3 0.423800 1.0079 0 - 10629 H2O 2871 H2O H2 3 0.423800 1.0079 0 - 10630 H2O 2872 H2O O1 4 -0.847600 15.9994 0 - 10631 H2O 2872 H2O H1 3 0.423800 1.0079 0 - 10632 H2O 2872 H2O H2 3 0.423800 1.0079 0 - 10633 H2O 2873 H2O O1 4 -0.847600 15.9994 0 - 10634 H2O 2873 H2O H1 3 0.423800 1.0079 0 - 10635 H2O 2873 H2O H2 3 0.423800 1.0079 0 - 10636 H2O 2874 H2O O1 4 -0.847600 15.9994 0 - 10637 H2O 2874 H2O H1 3 0.423800 1.0079 0 - 10638 H2O 2874 H2O H2 3 0.423800 1.0079 0 - 10639 H2O 2875 H2O O1 4 -0.847600 15.9994 0 - 10640 H2O 2875 H2O H1 3 0.423800 1.0079 0 - 10641 H2O 2875 H2O H2 3 0.423800 1.0079 0 - 10642 H2O 2876 H2O O1 4 -0.847600 15.9994 0 - 10643 H2O 2876 H2O H1 3 0.423800 1.0079 0 - 10644 H2O 2876 H2O H2 3 0.423800 1.0079 0 - 10645 H2O 2877 H2O O1 4 -0.847600 15.9994 0 - 10646 H2O 2877 H2O H1 3 0.423800 1.0079 0 - 10647 H2O 2877 H2O H2 3 0.423800 1.0079 0 - 10648 H2O 2878 H2O O1 4 -0.847600 15.9994 0 - 10649 H2O 2878 H2O H1 3 0.423800 1.0079 0 - 10650 H2O 2878 H2O H2 3 0.423800 1.0079 0 - 10651 H2O 2879 H2O O1 4 -0.847600 15.9994 0 - 10652 H2O 2879 H2O H1 3 0.423800 1.0079 0 - 10653 H2O 2879 H2O H2 3 0.423800 1.0079 0 - 10654 H2O 2880 H2O O1 4 -0.847600 15.9994 0 - 10655 H2O 2880 H2O H1 3 0.423800 1.0079 0 - 10656 H2O 2880 H2O H2 3 0.423800 1.0079 0 - 10657 H2O 2881 H2O O1 4 -0.847600 15.9994 0 - 10658 H2O 2881 H2O H1 3 0.423800 1.0079 0 - 10659 H2O 2881 H2O H2 3 0.423800 1.0079 0 - 10660 H2O 2882 H2O O1 4 -0.847600 15.9994 0 - 10661 H2O 2882 H2O H1 3 0.423800 1.0079 0 - 10662 H2O 2882 H2O H2 3 0.423800 1.0079 0 - 10663 H2O 2883 H2O O1 4 -0.847600 15.9994 0 - 10664 H2O 2883 H2O H1 3 0.423800 1.0079 0 - 10665 H2O 2883 H2O H2 3 0.423800 1.0079 0 - 10666 H2O 2884 H2O O1 4 -0.847600 15.9994 0 - 10667 H2O 2884 H2O H1 3 0.423800 1.0079 0 - 10668 H2O 2884 H2O H2 3 0.423800 1.0079 0 - 10669 H2O 2885 H2O O1 4 -0.847600 15.9994 0 - 10670 H2O 2885 H2O H1 3 0.423800 1.0079 0 - 10671 H2O 2885 H2O H2 3 0.423800 1.0079 0 - 10672 H2O 2886 H2O O1 4 -0.847600 15.9994 0 - 10673 H2O 2886 H2O H1 3 0.423800 1.0079 0 - 10674 H2O 2886 H2O H2 3 0.423800 1.0079 0 - 10675 H2O 2887 H2O O1 4 -0.847600 15.9994 0 - 10676 H2O 2887 H2O H1 3 0.423800 1.0079 0 - 10677 H2O 2887 H2O H2 3 0.423800 1.0079 0 - 10678 H2O 2888 H2O O1 4 -0.847600 15.9994 0 - 10679 H2O 2888 H2O H1 3 0.423800 1.0079 0 - 10680 H2O 2888 H2O H2 3 0.423800 1.0079 0 - 10681 H2O 2889 H2O O1 4 -0.847600 15.9994 0 - 10682 H2O 2889 H2O H1 3 0.423800 1.0079 0 - 10683 H2O 2889 H2O H2 3 0.423800 1.0079 0 - 10684 H2O 2890 H2O O1 4 -0.847600 15.9994 0 - 10685 H2O 2890 H2O H1 3 0.423800 1.0079 0 - 10686 H2O 2890 H2O H2 3 0.423800 1.0079 0 - 10687 H2O 2891 H2O O1 4 -0.847600 15.9994 0 - 10688 H2O 2891 H2O H1 3 0.423800 1.0079 0 - 10689 H2O 2891 H2O H2 3 0.423800 1.0079 0 - 10690 H2O 2892 H2O O1 4 -0.847600 15.9994 0 - 10691 H2O 2892 H2O H1 3 0.423800 1.0079 0 - 10692 H2O 2892 H2O H2 3 0.423800 1.0079 0 - 10693 H2O 2893 H2O O1 4 -0.847600 15.9994 0 - 10694 H2O 2893 H2O H1 3 0.423800 1.0079 0 - 10695 H2O 2893 H2O H2 3 0.423800 1.0079 0 - 10696 H2O 2894 H2O O1 4 -0.847600 15.9994 0 - 10697 H2O 2894 H2O H1 3 0.423800 1.0079 0 - 10698 H2O 2894 H2O H2 3 0.423800 1.0079 0 - 10699 H2O 2895 H2O O1 4 -0.847600 15.9994 0 - 10700 H2O 2895 H2O H1 3 0.423800 1.0079 0 - 10701 H2O 2895 H2O H2 3 0.423800 1.0079 0 - 10702 H2O 2896 H2O O1 4 -0.847600 15.9994 0 - 10703 H2O 2896 H2O H1 3 0.423800 1.0079 0 - 10704 H2O 2896 H2O H2 3 0.423800 1.0079 0 - 10705 H2O 2897 H2O O1 4 -0.847600 15.9994 0 - 10706 H2O 2897 H2O H1 3 0.423800 1.0079 0 - 10707 H2O 2897 H2O H2 3 0.423800 1.0079 0 - 10708 H2O 2898 H2O O1 4 -0.847600 15.9994 0 - 10709 H2O 2898 H2O H1 3 0.423800 1.0079 0 - 10710 H2O 2898 H2O H2 3 0.423800 1.0079 0 - 10711 H2O 2899 H2O O1 4 -0.847600 15.9994 0 - 10712 H2O 2899 H2O H1 3 0.423800 1.0079 0 - 10713 H2O 2899 H2O H2 3 0.423800 1.0079 0 - 10714 H2O 2900 H2O O1 4 -0.847600 15.9994 0 - 10715 H2O 2900 H2O H1 3 0.423800 1.0079 0 - 10716 H2O 2900 H2O H2 3 0.423800 1.0079 0 - 10717 H2O 2901 H2O O1 4 -0.847600 15.9994 0 - 10718 H2O 2901 H2O H1 3 0.423800 1.0079 0 - 10719 H2O 2901 H2O H2 3 0.423800 1.0079 0 - 10720 H2O 2902 H2O O1 4 -0.847600 15.9994 0 - 10721 H2O 2902 H2O H1 3 0.423800 1.0079 0 - 10722 H2O 2902 H2O H2 3 0.423800 1.0079 0 - 10723 H2O 2903 H2O O1 4 -0.847600 15.9994 0 - 10724 H2O 2903 H2O H1 3 0.423800 1.0079 0 - 10725 H2O 2903 H2O H2 3 0.423800 1.0079 0 - 10726 H2O 2904 H2O O1 4 -0.847600 15.9994 0 - 10727 H2O 2904 H2O H1 3 0.423800 1.0079 0 - 10728 H2O 2904 H2O H2 3 0.423800 1.0079 0 - 10729 H2O 2905 H2O O1 4 -0.847600 15.9994 0 - 10730 H2O 2905 H2O H1 3 0.423800 1.0079 0 - 10731 H2O 2905 H2O H2 3 0.423800 1.0079 0 - 10732 H2O 2906 H2O O1 4 -0.847600 15.9994 0 - 10733 H2O 2906 H2O H1 3 0.423800 1.0079 0 - 10734 H2O 2906 H2O H2 3 0.423800 1.0079 0 - 10735 H2O 2907 H2O O1 4 -0.847600 15.9994 0 - 10736 H2O 2907 H2O H1 3 0.423800 1.0079 0 - 10737 H2O 2907 H2O H2 3 0.423800 1.0079 0 - 10738 H2O 2908 H2O O1 4 -0.847600 15.9994 0 - 10739 H2O 2908 H2O H1 3 0.423800 1.0079 0 - 10740 H2O 2908 H2O H2 3 0.423800 1.0079 0 - 10741 H2O 2909 H2O O1 4 -0.847600 15.9994 0 - 10742 H2O 2909 H2O H1 3 0.423800 1.0079 0 - 10743 H2O 2909 H2O H2 3 0.423800 1.0079 0 - 10744 H2O 2910 H2O O1 4 -0.847600 15.9994 0 - 10745 H2O 2910 H2O H1 3 0.423800 1.0079 0 - 10746 H2O 2910 H2O H2 3 0.423800 1.0079 0 - 10747 H2O 2911 H2O O1 4 -0.847600 15.9994 0 - 10748 H2O 2911 H2O H1 3 0.423800 1.0079 0 - 10749 H2O 2911 H2O H2 3 0.423800 1.0079 0 - 10750 H2O 2912 H2O O1 4 -0.847600 15.9994 0 - 10751 H2O 2912 H2O H1 3 0.423800 1.0079 0 - 10752 H2O 2912 H2O H2 3 0.423800 1.0079 0 - 10753 H2O 2913 H2O O1 4 -0.847600 15.9994 0 - 10754 H2O 2913 H2O H1 3 0.423800 1.0079 0 - 10755 H2O 2913 H2O H2 3 0.423800 1.0079 0 - 10756 H2O 2914 H2O O1 4 -0.847600 15.9994 0 - 10757 H2O 2914 H2O H1 3 0.423800 1.0079 0 - 10758 H2O 2914 H2O H2 3 0.423800 1.0079 0 - 10759 H2O 2915 H2O O1 4 -0.847600 15.9994 0 - 10760 H2O 2915 H2O H1 3 0.423800 1.0079 0 - 10761 H2O 2915 H2O H2 3 0.423800 1.0079 0 - 10762 H2O 2916 H2O O1 4 -0.847600 15.9994 0 - 10763 H2O 2916 H2O H1 3 0.423800 1.0079 0 - 10764 H2O 2916 H2O H2 3 0.423800 1.0079 0 - 10765 H2O 2917 H2O O1 4 -0.847600 15.9994 0 - 10766 H2O 2917 H2O H1 3 0.423800 1.0079 0 - 10767 H2O 2917 H2O H2 3 0.423800 1.0079 0 - 10768 H2O 2918 H2O O1 4 -0.847600 15.9994 0 - 10769 H2O 2918 H2O H1 3 0.423800 1.0079 0 - 10770 H2O 2918 H2O H2 3 0.423800 1.0079 0 - 10771 H2O 2919 H2O O1 4 -0.847600 15.9994 0 - 10772 H2O 2919 H2O H1 3 0.423800 1.0079 0 - 10773 H2O 2919 H2O H2 3 0.423800 1.0079 0 - 10774 H2O 2920 H2O O1 4 -0.847600 15.9994 0 - 10775 H2O 2920 H2O H1 3 0.423800 1.0079 0 - 10776 H2O 2920 H2O H2 3 0.423800 1.0079 0 - 10777 H2O 2921 H2O O1 4 -0.847600 15.9994 0 - 10778 H2O 2921 H2O H1 3 0.423800 1.0079 0 - 10779 H2O 2921 H2O H2 3 0.423800 1.0079 0 - 10780 H2O 2922 H2O O1 4 -0.847600 15.9994 0 - 10781 H2O 2922 H2O H1 3 0.423800 1.0079 0 - 10782 H2O 2922 H2O H2 3 0.423800 1.0079 0 - 10783 H2O 2923 H2O O1 4 -0.847600 15.9994 0 - 10784 H2O 2923 H2O H1 3 0.423800 1.0079 0 - 10785 H2O 2923 H2O H2 3 0.423800 1.0079 0 - 10786 H2O 2924 H2O O1 4 -0.847600 15.9994 0 - 10787 H2O 2924 H2O H1 3 0.423800 1.0079 0 - 10788 H2O 2924 H2O H2 3 0.423800 1.0079 0 - 10789 H2O 2925 H2O O1 4 -0.847600 15.9994 0 - 10790 H2O 2925 H2O H1 3 0.423800 1.0079 0 - 10791 H2O 2925 H2O H2 3 0.423800 1.0079 0 - 10792 H2O 2926 H2O O1 4 -0.847600 15.9994 0 - 10793 H2O 2926 H2O H1 3 0.423800 1.0079 0 - 10794 H2O 2926 H2O H2 3 0.423800 1.0079 0 - 10795 H2O 2927 H2O O1 4 -0.847600 15.9994 0 - 10796 H2O 2927 H2O H1 3 0.423800 1.0079 0 - 10797 H2O 2927 H2O H2 3 0.423800 1.0079 0 - 10798 H2O 2928 H2O O1 4 -0.847600 15.9994 0 - 10799 H2O 2928 H2O H1 3 0.423800 1.0079 0 - 10800 H2O 2928 H2O H2 3 0.423800 1.0079 0 - 10801 H2O 2929 H2O O1 4 -0.847600 15.9994 0 - 10802 H2O 2929 H2O H1 3 0.423800 1.0079 0 - 10803 H2O 2929 H2O H2 3 0.423800 1.0079 0 - 10804 H2O 2930 H2O O1 4 -0.847600 15.9994 0 - 10805 H2O 2930 H2O H1 3 0.423800 1.0079 0 - 10806 H2O 2930 H2O H2 3 0.423800 1.0079 0 - 10807 H2O 2931 H2O O1 4 -0.847600 15.9994 0 - 10808 H2O 2931 H2O H1 3 0.423800 1.0079 0 - 10809 H2O 2931 H2O H2 3 0.423800 1.0079 0 - 10810 H2O 2932 H2O O1 4 -0.847600 15.9994 0 - 10811 H2O 2932 H2O H1 3 0.423800 1.0079 0 - 10812 H2O 2932 H2O H2 3 0.423800 1.0079 0 - 10813 H2O 2933 H2O O1 4 -0.847600 15.9994 0 - 10814 H2O 2933 H2O H1 3 0.423800 1.0079 0 - 10815 H2O 2933 H2O H2 3 0.423800 1.0079 0 - 10816 H2O 2934 H2O O1 4 -0.847600 15.9994 0 - 10817 H2O 2934 H2O H1 3 0.423800 1.0079 0 - 10818 H2O 2934 H2O H2 3 0.423800 1.0079 0 - 10819 H2O 2935 H2O O1 4 -0.847600 15.9994 0 - 10820 H2O 2935 H2O H1 3 0.423800 1.0079 0 - 10821 H2O 2935 H2O H2 3 0.423800 1.0079 0 - 10822 H2O 2936 H2O O1 4 -0.847600 15.9994 0 - 10823 H2O 2936 H2O H1 3 0.423800 1.0079 0 - 10824 H2O 2936 H2O H2 3 0.423800 1.0079 0 - 10825 H2O 2937 H2O O1 4 -0.847600 15.9994 0 - 10826 H2O 2937 H2O H1 3 0.423800 1.0079 0 - 10827 H2O 2937 H2O H2 3 0.423800 1.0079 0 - 10828 H2O 2938 H2O O1 4 -0.847600 15.9994 0 - 10829 H2O 2938 H2O H1 3 0.423800 1.0079 0 - 10830 H2O 2938 H2O H2 3 0.423800 1.0079 0 - 10831 H2O 2939 H2O O1 4 -0.847600 15.9994 0 - 10832 H2O 2939 H2O H1 3 0.423800 1.0079 0 - 10833 H2O 2939 H2O H2 3 0.423800 1.0079 0 - 10834 H2O 2940 H2O O1 4 -0.847600 15.9994 0 - 10835 H2O 2940 H2O H1 3 0.423800 1.0079 0 - 10836 H2O 2940 H2O H2 3 0.423800 1.0079 0 - 10837 H2O 2941 H2O O1 4 -0.847600 15.9994 0 - 10838 H2O 2941 H2O H1 3 0.423800 1.0079 0 - 10839 H2O 2941 H2O H2 3 0.423800 1.0079 0 - 10840 H2O 2942 H2O O1 4 -0.847600 15.9994 0 - 10841 H2O 2942 H2O H1 3 0.423800 1.0079 0 - 10842 H2O 2942 H2O H2 3 0.423800 1.0079 0 - 10843 H2O 2943 H2O O1 4 -0.847600 15.9994 0 - 10844 H2O 2943 H2O H1 3 0.423800 1.0079 0 - 10845 H2O 2943 H2O H2 3 0.423800 1.0079 0 - 10846 H2O 2944 H2O O1 4 -0.847600 15.9994 0 - 10847 H2O 2944 H2O H1 3 0.423800 1.0079 0 - 10848 H2O 2944 H2O H2 3 0.423800 1.0079 0 - 10849 H2O 2945 H2O O1 4 -0.847600 15.9994 0 - 10850 H2O 2945 H2O H1 3 0.423800 1.0079 0 - 10851 H2O 2945 H2O H2 3 0.423800 1.0079 0 - 10852 H2O 2946 H2O O1 4 -0.847600 15.9994 0 - 10853 H2O 2946 H2O H1 3 0.423800 1.0079 0 - 10854 H2O 2946 H2O H2 3 0.423800 1.0079 0 - 10855 H2O 2947 H2O O1 4 -0.847600 15.9994 0 - 10856 H2O 2947 H2O H1 3 0.423800 1.0079 0 - 10857 H2O 2947 H2O H2 3 0.423800 1.0079 0 - 10858 H2O 2948 H2O O1 4 -0.847600 15.9994 0 - 10859 H2O 2948 H2O H1 3 0.423800 1.0079 0 - 10860 H2O 2948 H2O H2 3 0.423800 1.0079 0 - 10861 H2O 2949 H2O O1 4 -0.847600 15.9994 0 - 10862 H2O 2949 H2O H1 3 0.423800 1.0079 0 - 10863 H2O 2949 H2O H2 3 0.423800 1.0079 0 - 10864 H2O 2950 H2O O1 4 -0.847600 15.9994 0 - 10865 H2O 2950 H2O H1 3 0.423800 1.0079 0 - 10866 H2O 2950 H2O H2 3 0.423800 1.0079 0 - 10867 H2O 2951 H2O O1 4 -0.847600 15.9994 0 - 10868 H2O 2951 H2O H1 3 0.423800 1.0079 0 - 10869 H2O 2951 H2O H2 3 0.423800 1.0079 0 - 10870 H2O 2952 H2O O1 4 -0.847600 15.9994 0 - 10871 H2O 2952 H2O H1 3 0.423800 1.0079 0 - 10872 H2O 2952 H2O H2 3 0.423800 1.0079 0 - 10873 H2O 2953 H2O O1 4 -0.847600 15.9994 0 - 10874 H2O 2953 H2O H1 3 0.423800 1.0079 0 - 10875 H2O 2953 H2O H2 3 0.423800 1.0079 0 - 10876 H2O 2954 H2O O1 4 -0.847600 15.9994 0 - 10877 H2O 2954 H2O H1 3 0.423800 1.0079 0 - 10878 H2O 2954 H2O H2 3 0.423800 1.0079 0 - 10879 H2O 2955 H2O O1 4 -0.847600 15.9994 0 - 10880 H2O 2955 H2O H1 3 0.423800 1.0079 0 - 10881 H2O 2955 H2O H2 3 0.423800 1.0079 0 - 10882 H2O 2956 H2O O1 4 -0.847600 15.9994 0 - 10883 H2O 2956 H2O H1 3 0.423800 1.0079 0 - 10884 H2O 2956 H2O H2 3 0.423800 1.0079 0 - 10885 H2O 2957 H2O O1 4 -0.847600 15.9994 0 - 10886 H2O 2957 H2O H1 3 0.423800 1.0079 0 - 10887 H2O 2957 H2O H2 3 0.423800 1.0079 0 - 10888 H2O 2958 H2O O1 4 -0.847600 15.9994 0 - 10889 H2O 2958 H2O H1 3 0.423800 1.0079 0 - 10890 H2O 2958 H2O H2 3 0.423800 1.0079 0 - 10891 H2O 2959 H2O O1 4 -0.847600 15.9994 0 - 10892 H2O 2959 H2O H1 3 0.423800 1.0079 0 - 10893 H2O 2959 H2O H2 3 0.423800 1.0079 0 - 10894 H2O 2960 H2O O1 4 -0.847600 15.9994 0 - 10895 H2O 2960 H2O H1 3 0.423800 1.0079 0 - 10896 H2O 2960 H2O H2 3 0.423800 1.0079 0 - 10897 H2O 2961 H2O O1 4 -0.847600 15.9994 0 - 10898 H2O 2961 H2O H1 3 0.423800 1.0079 0 - 10899 H2O 2961 H2O H2 3 0.423800 1.0079 0 - 10900 H2O 2962 H2O O1 4 -0.847600 15.9994 0 - 10901 H2O 2962 H2O H1 3 0.423800 1.0079 0 - 10902 H2O 2962 H2O H2 3 0.423800 1.0079 0 - 10903 H2O 2963 H2O O1 4 -0.847600 15.9994 0 - 10904 H2O 2963 H2O H1 3 0.423800 1.0079 0 - 10905 H2O 2963 H2O H2 3 0.423800 1.0079 0 - 10906 H2O 2964 H2O O1 4 -0.847600 15.9994 0 - 10907 H2O 2964 H2O H1 3 0.423800 1.0079 0 - 10908 H2O 2964 H2O H2 3 0.423800 1.0079 0 - 10909 H2O 2965 H2O O1 4 -0.847600 15.9994 0 - 10910 H2O 2965 H2O H1 3 0.423800 1.0079 0 - 10911 H2O 2965 H2O H2 3 0.423800 1.0079 0 - 10912 H2O 2966 H2O O1 4 -0.847600 15.9994 0 - 10913 H2O 2966 H2O H1 3 0.423800 1.0079 0 - 10914 H2O 2966 H2O H2 3 0.423800 1.0079 0 - 10915 H2O 2967 H2O O1 4 -0.847600 15.9994 0 - 10916 H2O 2967 H2O H1 3 0.423800 1.0079 0 - 10917 H2O 2967 H2O H2 3 0.423800 1.0079 0 - 10918 H2O 2968 H2O O1 4 -0.847600 15.9994 0 - 10919 H2O 2968 H2O H1 3 0.423800 1.0079 0 - 10920 H2O 2968 H2O H2 3 0.423800 1.0079 0 - 10921 H2O 2969 H2O O1 4 -0.847600 15.9994 0 - 10922 H2O 2969 H2O H1 3 0.423800 1.0079 0 - 10923 H2O 2969 H2O H2 3 0.423800 1.0079 0 - 10924 H2O 2970 H2O O1 4 -0.847600 15.9994 0 - 10925 H2O 2970 H2O H1 3 0.423800 1.0079 0 - 10926 H2O 2970 H2O H2 3 0.423800 1.0079 0 - 10927 H2O 2971 H2O O1 4 -0.847600 15.9994 0 - 10928 H2O 2971 H2O H1 3 0.423800 1.0079 0 - 10929 H2O 2971 H2O H2 3 0.423800 1.0079 0 - 10930 H2O 2972 H2O O1 4 -0.847600 15.9994 0 - 10931 H2O 2972 H2O H1 3 0.423800 1.0079 0 - 10932 H2O 2972 H2O H2 3 0.423800 1.0079 0 - 10933 H2O 2973 H2O O1 4 -0.847600 15.9994 0 - 10934 H2O 2973 H2O H1 3 0.423800 1.0079 0 - 10935 H2O 2973 H2O H2 3 0.423800 1.0079 0 - 10936 H2O 2974 H2O O1 4 -0.847600 15.9994 0 - 10937 H2O 2974 H2O H1 3 0.423800 1.0079 0 - 10938 H2O 2974 H2O H2 3 0.423800 1.0079 0 - 10939 H2O 2975 H2O O1 4 -0.847600 15.9994 0 - 10940 H2O 2975 H2O H1 3 0.423800 1.0079 0 - 10941 H2O 2975 H2O H2 3 0.423800 1.0079 0 - 10942 H2O 2976 H2O O1 4 -0.847600 15.9994 0 - 10943 H2O 2976 H2O H1 3 0.423800 1.0079 0 - 10944 H2O 2976 H2O H2 3 0.423800 1.0079 0 - 10945 H2O 2977 H2O O1 4 -0.847600 15.9994 0 - 10946 H2O 2977 H2O H1 3 0.423800 1.0079 0 - 10947 H2O 2977 H2O H2 3 0.423800 1.0079 0 - 10948 H2O 2978 H2O O1 4 -0.847600 15.9994 0 - 10949 H2O 2978 H2O H1 3 0.423800 1.0079 0 - 10950 H2O 2978 H2O H2 3 0.423800 1.0079 0 - 10951 H2O 2979 H2O O1 4 -0.847600 15.9994 0 - 10952 H2O 2979 H2O H1 3 0.423800 1.0079 0 - 10953 H2O 2979 H2O H2 3 0.423800 1.0079 0 - 10954 H2O 2980 H2O O1 4 -0.847600 15.9994 0 - 10955 H2O 2980 H2O H1 3 0.423800 1.0079 0 - 10956 H2O 2980 H2O H2 3 0.423800 1.0079 0 - 10957 H2O 2981 H2O O1 4 -0.847600 15.9994 0 - 10958 H2O 2981 H2O H1 3 0.423800 1.0079 0 - 10959 H2O 2981 H2O H2 3 0.423800 1.0079 0 - 10960 H2O 2982 H2O O1 4 -0.847600 15.9994 0 - 10961 H2O 2982 H2O H1 3 0.423800 1.0079 0 - 10962 H2O 2982 H2O H2 3 0.423800 1.0079 0 - 10963 H2O 2983 H2O O1 4 -0.847600 15.9994 0 - 10964 H2O 2983 H2O H1 3 0.423800 1.0079 0 - 10965 H2O 2983 H2O H2 3 0.423800 1.0079 0 - 10966 H2O 2984 H2O O1 4 -0.847600 15.9994 0 - 10967 H2O 2984 H2O H1 3 0.423800 1.0079 0 - 10968 H2O 2984 H2O H2 3 0.423800 1.0079 0 - 10969 H2O 2985 H2O O1 4 -0.847600 15.9994 0 - 10970 H2O 2985 H2O H1 3 0.423800 1.0079 0 - 10971 H2O 2985 H2O H2 3 0.423800 1.0079 0 - 10972 H2O 2986 H2O O1 4 -0.847600 15.9994 0 - 10973 H2O 2986 H2O H1 3 0.423800 1.0079 0 - 10974 H2O 2986 H2O H2 3 0.423800 1.0079 0 - 10975 H2O 2987 H2O O1 4 -0.847600 15.9994 0 - 10976 H2O 2987 H2O H1 3 0.423800 1.0079 0 - 10977 H2O 2987 H2O H2 3 0.423800 1.0079 0 - 10978 H2O 2988 H2O O1 4 -0.847600 15.9994 0 - 10979 H2O 2988 H2O H1 3 0.423800 1.0079 0 - 10980 H2O 2988 H2O H2 3 0.423800 1.0079 0 - 10981 H2O 2989 H2O O1 4 -0.847600 15.9994 0 - 10982 H2O 2989 H2O H1 3 0.423800 1.0079 0 - 10983 H2O 2989 H2O H2 3 0.423800 1.0079 0 - 10984 H2O 2990 H2O O1 4 -0.847600 15.9994 0 - 10985 H2O 2990 H2O H1 3 0.423800 1.0079 0 - 10986 H2O 2990 H2O H2 3 0.423800 1.0079 0 - 10987 H2O 2991 H2O O1 4 -0.847600 15.9994 0 - 10988 H2O 2991 H2O H1 3 0.423800 1.0079 0 - 10989 H2O 2991 H2O H2 3 0.423800 1.0079 0 - 10990 H2O 2992 H2O O1 4 -0.847600 15.9994 0 - 10991 H2O 2992 H2O H1 3 0.423800 1.0079 0 - 10992 H2O 2992 H2O H2 3 0.423800 1.0079 0 - 10993 H2O 2993 H2O O1 4 -0.847600 15.9994 0 - 10994 H2O 2993 H2O H1 3 0.423800 1.0079 0 - 10995 H2O 2993 H2O H2 3 0.423800 1.0079 0 - 10996 H2O 2994 H2O O1 4 -0.847600 15.9994 0 - 10997 H2O 2994 H2O H1 3 0.423800 1.0079 0 - 10998 H2O 2994 H2O H2 3 0.423800 1.0079 0 - 10999 H2O 2995 H2O O1 4 -0.847600 15.9994 0 - 11000 H2O 2995 H2O H1 3 0.423800 1.0079 0 - 11001 H2O 2995 H2O H2 3 0.423800 1.0079 0 - 11002 H2O 2996 H2O O1 4 -0.847600 15.9994 0 - 11003 H2O 2996 H2O H1 3 0.423800 1.0079 0 - 11004 H2O 2996 H2O H2 3 0.423800 1.0079 0 - 11005 H2O 2997 H2O O1 4 -0.847600 15.9994 0 - 11006 H2O 2997 H2O H1 3 0.423800 1.0079 0 - 11007 H2O 2997 H2O H2 3 0.423800 1.0079 0 - 11008 H2O 2998 H2O O1 4 -0.847600 15.9994 0 - 11009 H2O 2998 H2O H1 3 0.423800 1.0079 0 - 11010 H2O 2998 H2O H2 3 0.423800 1.0079 0 - 11011 H2O 2999 H2O O1 4 -0.847600 15.9994 0 - 11012 H2O 2999 H2O H1 3 0.423800 1.0079 0 - 11013 H2O 2999 H2O H2 3 0.423800 1.0079 0 - 11014 H2O 3000 H2O O1 4 -0.847600 15.9994 0 - 11015 H2O 3000 H2O H1 3 0.423800 1.0079 0 - 11016 H2O 3000 H2O H2 3 0.423800 1.0079 0 - 11017 H2O 3001 H2O O1 4 -0.847600 15.9994 0 - 11018 H2O 3001 H2O H1 3 0.423800 1.0079 0 - 11019 H2O 3001 H2O H2 3 0.423800 1.0079 0 - 11020 H2O 3002 H2O O1 4 -0.847600 15.9994 0 - 11021 H2O 3002 H2O H1 3 0.423800 1.0079 0 - 11022 H2O 3002 H2O H2 3 0.423800 1.0079 0 - 11023 H2O 3003 H2O O1 4 -0.847600 15.9994 0 - 11024 H2O 3003 H2O H1 3 0.423800 1.0079 0 - 11025 H2O 3003 H2O H2 3 0.423800 1.0079 0 - 11026 H2O 3004 H2O O1 4 -0.847600 15.9994 0 - 11027 H2O 3004 H2O H1 3 0.423800 1.0079 0 - 11028 H2O 3004 H2O H2 3 0.423800 1.0079 0 - 11029 H2O 3005 H2O O1 4 -0.847600 15.9994 0 - 11030 H2O 3005 H2O H1 3 0.423800 1.0079 0 - 11031 H2O 3005 H2O H2 3 0.423800 1.0079 0 - 11032 H2O 3006 H2O O1 4 -0.847600 15.9994 0 - 11033 H2O 3006 H2O H1 3 0.423800 1.0079 0 - 11034 H2O 3006 H2O H2 3 0.423800 1.0079 0 - 11035 H2O 3007 H2O O1 4 -0.847600 15.9994 0 - 11036 H2O 3007 H2O H1 3 0.423800 1.0079 0 - 11037 H2O 3007 H2O H2 3 0.423800 1.0079 0 - 11038 H2O 3008 H2O O1 4 -0.847600 15.9994 0 - 11039 H2O 3008 H2O H1 3 0.423800 1.0079 0 - 11040 H2O 3008 H2O H2 3 0.423800 1.0079 0 - 11041 H2O 3009 H2O O1 4 -0.847600 15.9994 0 - 11042 H2O 3009 H2O H1 3 0.423800 1.0079 0 - 11043 H2O 3009 H2O H2 3 0.423800 1.0079 0 - 11044 H2O 3010 H2O O1 4 -0.847600 15.9994 0 - 11045 H2O 3010 H2O H1 3 0.423800 1.0079 0 - 11046 H2O 3010 H2O H2 3 0.423800 1.0079 0 - 11047 H2O 3011 H2O O1 4 -0.847600 15.9994 0 - 11048 H2O 3011 H2O H1 3 0.423800 1.0079 0 - 11049 H2O 3011 H2O H2 3 0.423800 1.0079 0 - 11050 H2O 3012 H2O O1 4 -0.847600 15.9994 0 - 11051 H2O 3012 H2O H1 3 0.423800 1.0079 0 - 11052 H2O 3012 H2O H2 3 0.423800 1.0079 0 - 11053 H2O 3013 H2O O1 4 -0.847600 15.9994 0 - 11054 H2O 3013 H2O H1 3 0.423800 1.0079 0 - 11055 H2O 3013 H2O H2 3 0.423800 1.0079 0 - 11056 H2O 3014 H2O O1 4 -0.847600 15.9994 0 - 11057 H2O 3014 H2O H1 3 0.423800 1.0079 0 - 11058 H2O 3014 H2O H2 3 0.423800 1.0079 0 - 11059 H2O 3015 H2O O1 4 -0.847600 15.9994 0 - 11060 H2O 3015 H2O H1 3 0.423800 1.0079 0 - 11061 H2O 3015 H2O H2 3 0.423800 1.0079 0 - 11062 H2O 3016 H2O O1 4 -0.847600 15.9994 0 - 11063 H2O 3016 H2O H1 3 0.423800 1.0079 0 - 11064 H2O 3016 H2O H2 3 0.423800 1.0079 0 - 11065 H2O 3017 H2O O1 4 -0.847600 15.9994 0 - 11066 H2O 3017 H2O H1 3 0.423800 1.0079 0 - 11067 H2O 3017 H2O H2 3 0.423800 1.0079 0 - 11068 H2O 3018 H2O O1 4 -0.847600 15.9994 0 - 11069 H2O 3018 H2O H1 3 0.423800 1.0079 0 - 11070 H2O 3018 H2O H2 3 0.423800 1.0079 0 - 11071 H2O 3019 H2O O1 4 -0.847600 15.9994 0 - 11072 H2O 3019 H2O H1 3 0.423800 1.0079 0 - 11073 H2O 3019 H2O H2 3 0.423800 1.0079 0 - 11074 H2O 3020 H2O O1 4 -0.847600 15.9994 0 - 11075 H2O 3020 H2O H1 3 0.423800 1.0079 0 - 11076 H2O 3020 H2O H2 3 0.423800 1.0079 0 - 11077 H2O 3021 H2O O1 4 -0.847600 15.9994 0 - 11078 H2O 3021 H2O H1 3 0.423800 1.0079 0 - 11079 H2O 3021 H2O H2 3 0.423800 1.0079 0 - 11080 H2O 3022 H2O O1 4 -0.847600 15.9994 0 - 11081 H2O 3022 H2O H1 3 0.423800 1.0079 0 - 11082 H2O 3022 H2O H2 3 0.423800 1.0079 0 - 11083 H2O 3023 H2O O1 4 -0.847600 15.9994 0 - 11084 H2O 3023 H2O H1 3 0.423800 1.0079 0 - 11085 H2O 3023 H2O H2 3 0.423800 1.0079 0 - 11086 H2O 3024 H2O O1 4 -0.847600 15.9994 0 - 11087 H2O 3024 H2O H1 3 0.423800 1.0079 0 - 11088 H2O 3024 H2O H2 3 0.423800 1.0079 0 - 11089 H2O 3025 H2O O1 4 -0.847600 15.9994 0 - 11090 H2O 3025 H2O H1 3 0.423800 1.0079 0 - 11091 H2O 3025 H2O H2 3 0.423800 1.0079 0 - 11092 H2O 3026 H2O O1 4 -0.847600 15.9994 0 - 11093 H2O 3026 H2O H1 3 0.423800 1.0079 0 - 11094 H2O 3026 H2O H2 3 0.423800 1.0079 0 - 11095 H2O 3027 H2O O1 4 -0.847600 15.9994 0 - 11096 H2O 3027 H2O H1 3 0.423800 1.0079 0 - 11097 H2O 3027 H2O H2 3 0.423800 1.0079 0 - 11098 H2O 3028 H2O O1 4 -0.847600 15.9994 0 - 11099 H2O 3028 H2O H1 3 0.423800 1.0079 0 - 11100 H2O 3028 H2O H2 3 0.423800 1.0079 0 - 11101 H2O 3029 H2O O1 4 -0.847600 15.9994 0 - 11102 H2O 3029 H2O H1 3 0.423800 1.0079 0 - 11103 H2O 3029 H2O H2 3 0.423800 1.0079 0 - 11104 H2O 3030 H2O O1 4 -0.847600 15.9994 0 - 11105 H2O 3030 H2O H1 3 0.423800 1.0079 0 - 11106 H2O 3030 H2O H2 3 0.423800 1.0079 0 - 11107 H2O 3031 H2O O1 4 -0.847600 15.9994 0 - 11108 H2O 3031 H2O H1 3 0.423800 1.0079 0 - 11109 H2O 3031 H2O H2 3 0.423800 1.0079 0 - 11110 H2O 3032 H2O O1 4 -0.847600 15.9994 0 - 11111 H2O 3032 H2O H1 3 0.423800 1.0079 0 - 11112 H2O 3032 H2O H2 3 0.423800 1.0079 0 - 11113 H2O 3033 H2O O1 4 -0.847600 15.9994 0 - 11114 H2O 3033 H2O H1 3 0.423800 1.0079 0 - 11115 H2O 3033 H2O H2 3 0.423800 1.0079 0 - 11116 H2O 3034 H2O O1 4 -0.847600 15.9994 0 - 11117 H2O 3034 H2O H1 3 0.423800 1.0079 0 - 11118 H2O 3034 H2O H2 3 0.423800 1.0079 0 - 11119 H2O 3035 H2O O1 4 -0.847600 15.9994 0 - 11120 H2O 3035 H2O H1 3 0.423800 1.0079 0 - 11121 H2O 3035 H2O H2 3 0.423800 1.0079 0 - 11122 H2O 3036 H2O O1 4 -0.847600 15.9994 0 - 11123 H2O 3036 H2O H1 3 0.423800 1.0079 0 - 11124 H2O 3036 H2O H2 3 0.423800 1.0079 0 - 11125 H2O 3037 H2O O1 4 -0.847600 15.9994 0 - 11126 H2O 3037 H2O H1 3 0.423800 1.0079 0 - 11127 H2O 3037 H2O H2 3 0.423800 1.0079 0 - 11128 H2O 3038 H2O O1 4 -0.847600 15.9994 0 - 11129 H2O 3038 H2O H1 3 0.423800 1.0079 0 - 11130 H2O 3038 H2O H2 3 0.423800 1.0079 0 - 11131 H2O 3039 H2O O1 4 -0.847600 15.9994 0 - 11132 H2O 3039 H2O H1 3 0.423800 1.0079 0 - 11133 H2O 3039 H2O H2 3 0.423800 1.0079 0 - 11134 H2O 3040 H2O O1 4 -0.847600 15.9994 0 - 11135 H2O 3040 H2O H1 3 0.423800 1.0079 0 - 11136 H2O 3040 H2O H2 3 0.423800 1.0079 0 - 11137 H2O 3041 H2O O1 4 -0.847600 15.9994 0 - 11138 H2O 3041 H2O H1 3 0.423800 1.0079 0 - 11139 H2O 3041 H2O H2 3 0.423800 1.0079 0 - 11140 H2O 3042 H2O O1 4 -0.847600 15.9994 0 - 11141 H2O 3042 H2O H1 3 0.423800 1.0079 0 - 11142 H2O 3042 H2O H2 3 0.423800 1.0079 0 - 11143 H2O 3043 H2O O1 4 -0.847600 15.9994 0 - 11144 H2O 3043 H2O H1 3 0.423800 1.0079 0 - 11145 H2O 3043 H2O H2 3 0.423800 1.0079 0 - 11146 H2O 3044 H2O O1 4 -0.847600 15.9994 0 - 11147 H2O 3044 H2O H1 3 0.423800 1.0079 0 - 11148 H2O 3044 H2O H2 3 0.423800 1.0079 0 - 11149 H2O 3045 H2O O1 4 -0.847600 15.9994 0 - 11150 H2O 3045 H2O H1 3 0.423800 1.0079 0 - 11151 H2O 3045 H2O H2 3 0.423800 1.0079 0 - 11152 H2O 3046 H2O O1 4 -0.847600 15.9994 0 - 11153 H2O 3046 H2O H1 3 0.423800 1.0079 0 - 11154 H2O 3046 H2O H2 3 0.423800 1.0079 0 - 11155 H2O 3047 H2O O1 4 -0.847600 15.9994 0 - 11156 H2O 3047 H2O H1 3 0.423800 1.0079 0 - 11157 H2O 3047 H2O H2 3 0.423800 1.0079 0 - 11158 H2O 3048 H2O O1 4 -0.847600 15.9994 0 - 11159 H2O 3048 H2O H1 3 0.423800 1.0079 0 - 11160 H2O 3048 H2O H2 3 0.423800 1.0079 0 - 11161 H2O 3049 H2O O1 4 -0.847600 15.9994 0 - 11162 H2O 3049 H2O H1 3 0.423800 1.0079 0 - 11163 H2O 3049 H2O H2 3 0.423800 1.0079 0 - 11164 H2O 3050 H2O O1 4 -0.847600 15.9994 0 - 11165 H2O 3050 H2O H1 3 0.423800 1.0079 0 - 11166 H2O 3050 H2O H2 3 0.423800 1.0079 0 - 11167 H2O 3051 H2O O1 4 -0.847600 15.9994 0 - 11168 H2O 3051 H2O H1 3 0.423800 1.0079 0 - 11169 H2O 3051 H2O H2 3 0.423800 1.0079 0 - 11170 H2O 3052 H2O O1 4 -0.847600 15.9994 0 - 11171 H2O 3052 H2O H1 3 0.423800 1.0079 0 - 11172 H2O 3052 H2O H2 3 0.423800 1.0079 0 - 11173 H2O 3053 H2O O1 4 -0.847600 15.9994 0 - 11174 H2O 3053 H2O H1 3 0.423800 1.0079 0 - 11175 H2O 3053 H2O H2 3 0.423800 1.0079 0 - 11176 H2O 3054 H2O O1 4 -0.847600 15.9994 0 - 11177 H2O 3054 H2O H1 3 0.423800 1.0079 0 - 11178 H2O 3054 H2O H2 3 0.423800 1.0079 0 - 11179 H2O 3055 H2O O1 4 -0.847600 15.9994 0 - 11180 H2O 3055 H2O H1 3 0.423800 1.0079 0 - 11181 H2O 3055 H2O H2 3 0.423800 1.0079 0 - 11182 H2O 3056 H2O O1 4 -0.847600 15.9994 0 - 11183 H2O 3056 H2O H1 3 0.423800 1.0079 0 - 11184 H2O 3056 H2O H2 3 0.423800 1.0079 0 - 11185 H2O 3057 H2O O1 4 -0.847600 15.9994 0 - 11186 H2O 3057 H2O H1 3 0.423800 1.0079 0 - 11187 H2O 3057 H2O H2 3 0.423800 1.0079 0 - 11188 H2O 3058 H2O O1 4 -0.847600 15.9994 0 - 11189 H2O 3058 H2O H1 3 0.423800 1.0079 0 - 11190 H2O 3058 H2O H2 3 0.423800 1.0079 0 - 11191 H2O 3059 H2O O1 4 -0.847600 15.9994 0 - 11192 H2O 3059 H2O H1 3 0.423800 1.0079 0 - 11193 H2O 3059 H2O H2 3 0.423800 1.0079 0 - 11194 H2O 3060 H2O O1 4 -0.847600 15.9994 0 - 11195 H2O 3060 H2O H1 3 0.423800 1.0079 0 - 11196 H2O 3060 H2O H2 3 0.423800 1.0079 0 - 11197 H2O 3061 H2O O1 4 -0.847600 15.9994 0 - 11198 H2O 3061 H2O H1 3 0.423800 1.0079 0 - 11199 H2O 3061 H2O H2 3 0.423800 1.0079 0 - 11200 H2O 3062 H2O O1 4 -0.847600 15.9994 0 - 11201 H2O 3062 H2O H1 3 0.423800 1.0079 0 - 11202 H2O 3062 H2O H2 3 0.423800 1.0079 0 - 11203 H2O 3063 H2O O1 4 -0.847600 15.9994 0 - 11204 H2O 3063 H2O H1 3 0.423800 1.0079 0 - 11205 H2O 3063 H2O H2 3 0.423800 1.0079 0 - 11206 H2O 3064 H2O O1 4 -0.847600 15.9994 0 - 11207 H2O 3064 H2O H1 3 0.423800 1.0079 0 - 11208 H2O 3064 H2O H2 3 0.423800 1.0079 0 - 11209 H2O 3065 H2O O1 4 -0.847600 15.9994 0 - 11210 H2O 3065 H2O H1 3 0.423800 1.0079 0 - 11211 H2O 3065 H2O H2 3 0.423800 1.0079 0 - 11212 H2O 3066 H2O O1 4 -0.847600 15.9994 0 - 11213 H2O 3066 H2O H1 3 0.423800 1.0079 0 - 11214 H2O 3066 H2O H2 3 0.423800 1.0079 0 - 11215 H2O 3067 H2O O1 4 -0.847600 15.9994 0 - 11216 H2O 3067 H2O H1 3 0.423800 1.0079 0 - 11217 H2O 3067 H2O H2 3 0.423800 1.0079 0 - 11218 H2O 3068 H2O O1 4 -0.847600 15.9994 0 - 11219 H2O 3068 H2O H1 3 0.423800 1.0079 0 - 11220 H2O 3068 H2O H2 3 0.423800 1.0079 0 - 11221 H2O 3069 H2O O1 4 -0.847600 15.9994 0 - 11222 H2O 3069 H2O H1 3 0.423800 1.0079 0 - 11223 H2O 3069 H2O H2 3 0.423800 1.0079 0 - 11224 H2O 3070 H2O O1 4 -0.847600 15.9994 0 - 11225 H2O 3070 H2O H1 3 0.423800 1.0079 0 - 11226 H2O 3070 H2O H2 3 0.423800 1.0079 0 - 11227 H2O 3071 H2O O1 4 -0.847600 15.9994 0 - 11228 H2O 3071 H2O H1 3 0.423800 1.0079 0 - 11229 H2O 3071 H2O H2 3 0.423800 1.0079 0 - 11230 H2O 3072 H2O O1 4 -0.847600 15.9994 0 - 11231 H2O 3072 H2O H1 3 0.423800 1.0079 0 - 11232 H2O 3072 H2O H2 3 0.423800 1.0079 0 - 11233 H2O 3073 H2O O1 4 -0.847600 15.9994 0 - 11234 H2O 3073 H2O H1 3 0.423800 1.0079 0 - 11235 H2O 3073 H2O H2 3 0.423800 1.0079 0 - 11236 H2O 3074 H2O O1 4 -0.847600 15.9994 0 - 11237 H2O 3074 H2O H1 3 0.423800 1.0079 0 - 11238 H2O 3074 H2O H2 3 0.423800 1.0079 0 - 11239 H2O 3075 H2O O1 4 -0.847600 15.9994 0 - 11240 H2O 3075 H2O H1 3 0.423800 1.0079 0 - 11241 H2O 3075 H2O H2 3 0.423800 1.0079 0 - 11242 H2O 3076 H2O O1 4 -0.847600 15.9994 0 - 11243 H2O 3076 H2O H1 3 0.423800 1.0079 0 - 11244 H2O 3076 H2O H2 3 0.423800 1.0079 0 - 11245 H2O 3077 H2O O1 4 -0.847600 15.9994 0 - 11246 H2O 3077 H2O H1 3 0.423800 1.0079 0 - 11247 H2O 3077 H2O H2 3 0.423800 1.0079 0 - 11248 H2O 3078 H2O O1 4 -0.847600 15.9994 0 - 11249 H2O 3078 H2O H1 3 0.423800 1.0079 0 - 11250 H2O 3078 H2O H2 3 0.423800 1.0079 0 - 11251 H2O 3079 H2O O1 4 -0.847600 15.9994 0 - 11252 H2O 3079 H2O H1 3 0.423800 1.0079 0 - 11253 H2O 3079 H2O H2 3 0.423800 1.0079 0 - 11254 H2O 3080 H2O O1 4 -0.847600 15.9994 0 - 11255 H2O 3080 H2O H1 3 0.423800 1.0079 0 - 11256 H2O 3080 H2O H2 3 0.423800 1.0079 0 - 11257 H2O 3081 H2O O1 4 -0.847600 15.9994 0 - 11258 H2O 3081 H2O H1 3 0.423800 1.0079 0 - 11259 H2O 3081 H2O H2 3 0.423800 1.0079 0 - 11260 H2O 3082 H2O O1 4 -0.847600 15.9994 0 - 11261 H2O 3082 H2O H1 3 0.423800 1.0079 0 - 11262 H2O 3082 H2O H2 3 0.423800 1.0079 0 - 11263 H2O 3083 H2O O1 4 -0.847600 15.9994 0 - 11264 H2O 3083 H2O H1 3 0.423800 1.0079 0 - 11265 H2O 3083 H2O H2 3 0.423800 1.0079 0 - 11266 H2O 3084 H2O O1 4 -0.847600 15.9994 0 - 11267 H2O 3084 H2O H1 3 0.423800 1.0079 0 - 11268 H2O 3084 H2O H2 3 0.423800 1.0079 0 - 11269 H2O 3085 H2O O1 4 -0.847600 15.9994 0 - 11270 H2O 3085 H2O H1 3 0.423800 1.0079 0 - 11271 H2O 3085 H2O H2 3 0.423800 1.0079 0 - 11272 H2O 3086 H2O O1 4 -0.847600 15.9994 0 - 11273 H2O 3086 H2O H1 3 0.423800 1.0079 0 - 11274 H2O 3086 H2O H2 3 0.423800 1.0079 0 - 11275 H2O 3087 H2O O1 4 -0.847600 15.9994 0 - 11276 H2O 3087 H2O H1 3 0.423800 1.0079 0 - 11277 H2O 3087 H2O H2 3 0.423800 1.0079 0 - 11278 H2O 3088 H2O O1 4 -0.847600 15.9994 0 - 11279 H2O 3088 H2O H1 3 0.423800 1.0079 0 - 11280 H2O 3088 H2O H2 3 0.423800 1.0079 0 - 11281 H2O 3089 H2O O1 4 -0.847600 15.9994 0 - 11282 H2O 3089 H2O H1 3 0.423800 1.0079 0 - 11283 H2O 3089 H2O H2 3 0.423800 1.0079 0 - 11284 H2O 3090 H2O O1 4 -0.847600 15.9994 0 - 11285 H2O 3090 H2O H1 3 0.423800 1.0079 0 - 11286 H2O 3090 H2O H2 3 0.423800 1.0079 0 - 11287 H2O 3091 H2O O1 4 -0.847600 15.9994 0 - 11288 H2O 3091 H2O H1 3 0.423800 1.0079 0 - 11289 H2O 3091 H2O H2 3 0.423800 1.0079 0 - 11290 H2O 3092 H2O O1 4 -0.847600 15.9994 0 - 11291 H2O 3092 H2O H1 3 0.423800 1.0079 0 - 11292 H2O 3092 H2O H2 3 0.423800 1.0079 0 - 11293 H2O 3093 H2O O1 4 -0.847600 15.9994 0 - 11294 H2O 3093 H2O H1 3 0.423800 1.0079 0 - 11295 H2O 3093 H2O H2 3 0.423800 1.0079 0 - 11296 H2O 3094 H2O O1 4 -0.847600 15.9994 0 - 11297 H2O 3094 H2O H1 3 0.423800 1.0079 0 - 11298 H2O 3094 H2O H2 3 0.423800 1.0079 0 - 11299 H2O 3095 H2O O1 4 -0.847600 15.9994 0 - 11300 H2O 3095 H2O H1 3 0.423800 1.0079 0 - 11301 H2O 3095 H2O H2 3 0.423800 1.0079 0 - 11302 H2O 3096 H2O O1 4 -0.847600 15.9994 0 - 11303 H2O 3096 H2O H1 3 0.423800 1.0079 0 - 11304 H2O 3096 H2O H2 3 0.423800 1.0079 0 - 11305 H2O 3097 H2O O1 4 -0.847600 15.9994 0 - 11306 H2O 3097 H2O H1 3 0.423800 1.0079 0 - 11307 H2O 3097 H2O H2 3 0.423800 1.0079 0 - 11308 H2O 3098 H2O O1 4 -0.847600 15.9994 0 - 11309 H2O 3098 H2O H1 3 0.423800 1.0079 0 - 11310 H2O 3098 H2O H2 3 0.423800 1.0079 0 - 11311 H2O 3099 H2O O1 4 -0.847600 15.9994 0 - 11312 H2O 3099 H2O H1 3 0.423800 1.0079 0 - 11313 H2O 3099 H2O H2 3 0.423800 1.0079 0 - 11314 H2O 3100 H2O O1 4 -0.847600 15.9994 0 - 11315 H2O 3100 H2O H1 3 0.423800 1.0079 0 - 11316 H2O 3100 H2O H2 3 0.423800 1.0079 0 - 11317 H2O 3101 H2O O1 4 -0.847600 15.9994 0 - 11318 H2O 3101 H2O H1 3 0.423800 1.0079 0 - 11319 H2O 3101 H2O H2 3 0.423800 1.0079 0 - 11320 H2O 3102 H2O O1 4 -0.847600 15.9994 0 - 11321 H2O 3102 H2O H1 3 0.423800 1.0079 0 - 11322 H2O 3102 H2O H2 3 0.423800 1.0079 0 - 11323 H2O 3103 H2O O1 4 -0.847600 15.9994 0 - 11324 H2O 3103 H2O H1 3 0.423800 1.0079 0 - 11325 H2O 3103 H2O H2 3 0.423800 1.0079 0 - 11326 H2O 3104 H2O O1 4 -0.847600 15.9994 0 - 11327 H2O 3104 H2O H1 3 0.423800 1.0079 0 - 11328 H2O 3104 H2O H2 3 0.423800 1.0079 0 - 11329 H2O 3105 H2O O1 4 -0.847600 15.9994 0 - 11330 H2O 3105 H2O H1 3 0.423800 1.0079 0 - 11331 H2O 3105 H2O H2 3 0.423800 1.0079 0 - 11332 H2O 3106 H2O O1 4 -0.847600 15.9994 0 - 11333 H2O 3106 H2O H1 3 0.423800 1.0079 0 - 11334 H2O 3106 H2O H2 3 0.423800 1.0079 0 - 11335 H2O 3107 H2O O1 4 -0.847600 15.9994 0 - 11336 H2O 3107 H2O H1 3 0.423800 1.0079 0 - 11337 H2O 3107 H2O H2 3 0.423800 1.0079 0 - 11338 H2O 3108 H2O O1 4 -0.847600 15.9994 0 - 11339 H2O 3108 H2O H1 3 0.423800 1.0079 0 - 11340 H2O 3108 H2O H2 3 0.423800 1.0079 0 - 11341 H2O 3109 H2O O1 4 -0.847600 15.9994 0 - 11342 H2O 3109 H2O H1 3 0.423800 1.0079 0 - 11343 H2O 3109 H2O H2 3 0.423800 1.0079 0 - 11344 H2O 3110 H2O O1 4 -0.847600 15.9994 0 - 11345 H2O 3110 H2O H1 3 0.423800 1.0079 0 - 11346 H2O 3110 H2O H2 3 0.423800 1.0079 0 - 11347 H2O 3111 H2O O1 4 -0.847600 15.9994 0 - 11348 H2O 3111 H2O H1 3 0.423800 1.0079 0 - 11349 H2O 3111 H2O H2 3 0.423800 1.0079 0 - 11350 H2O 3112 H2O O1 4 -0.847600 15.9994 0 - 11351 H2O 3112 H2O H1 3 0.423800 1.0079 0 - 11352 H2O 3112 H2O H2 3 0.423800 1.0079 0 - 11353 H2O 3113 H2O O1 4 -0.847600 15.9994 0 - 11354 H2O 3113 H2O H1 3 0.423800 1.0079 0 - 11355 H2O 3113 H2O H2 3 0.423800 1.0079 0 - 11356 H2O 3114 H2O O1 4 -0.847600 15.9994 0 - 11357 H2O 3114 H2O H1 3 0.423800 1.0079 0 - 11358 H2O 3114 H2O H2 3 0.423800 1.0079 0 - 11359 H2O 3115 H2O O1 4 -0.847600 15.9994 0 - 11360 H2O 3115 H2O H1 3 0.423800 1.0079 0 - 11361 H2O 3115 H2O H2 3 0.423800 1.0079 0 - 11362 H2O 3116 H2O O1 4 -0.847600 15.9994 0 - 11363 H2O 3116 H2O H1 3 0.423800 1.0079 0 - 11364 H2O 3116 H2O H2 3 0.423800 1.0079 0 - 11365 H2O 3117 H2O O1 4 -0.847600 15.9994 0 - 11366 H2O 3117 H2O H1 3 0.423800 1.0079 0 - 11367 H2O 3117 H2O H2 3 0.423800 1.0079 0 - 11368 H2O 3118 H2O O1 4 -0.847600 15.9994 0 - 11369 H2O 3118 H2O H1 3 0.423800 1.0079 0 - 11370 H2O 3118 H2O H2 3 0.423800 1.0079 0 - 11371 H2O 3119 H2O O1 4 -0.847600 15.9994 0 - 11372 H2O 3119 H2O H1 3 0.423800 1.0079 0 - 11373 H2O 3119 H2O H2 3 0.423800 1.0079 0 - 11374 H2O 3120 H2O O1 4 -0.847600 15.9994 0 - 11375 H2O 3120 H2O H1 3 0.423800 1.0079 0 - 11376 H2O 3120 H2O H2 3 0.423800 1.0079 0 - 11377 H2O 3121 H2O O1 4 -0.847600 15.9994 0 - 11378 H2O 3121 H2O H1 3 0.423800 1.0079 0 - 11379 H2O 3121 H2O H2 3 0.423800 1.0079 0 - 11380 H2O 3122 H2O O1 4 -0.847600 15.9994 0 - 11381 H2O 3122 H2O H1 3 0.423800 1.0079 0 - 11382 H2O 3122 H2O H2 3 0.423800 1.0079 0 - 11383 H2O 3123 H2O O1 4 -0.847600 15.9994 0 - 11384 H2O 3123 H2O H1 3 0.423800 1.0079 0 - 11385 H2O 3123 H2O H2 3 0.423800 1.0079 0 - 11386 H2O 3124 H2O O1 4 -0.847600 15.9994 0 - 11387 H2O 3124 H2O H1 3 0.423800 1.0079 0 - 11388 H2O 3124 H2O H2 3 0.423800 1.0079 0 - 11389 H2O 3125 H2O O1 4 -0.847600 15.9994 0 - 11390 H2O 3125 H2O H1 3 0.423800 1.0079 0 - 11391 H2O 3125 H2O H2 3 0.423800 1.0079 0 - 11392 H2O 3126 H2O O1 4 -0.847600 15.9994 0 - 11393 H2O 3126 H2O H1 3 0.423800 1.0079 0 - 11394 H2O 3126 H2O H2 3 0.423800 1.0079 0 - 11395 H2O 3127 H2O O1 4 -0.847600 15.9994 0 - 11396 H2O 3127 H2O H1 3 0.423800 1.0079 0 - 11397 H2O 3127 H2O H2 3 0.423800 1.0079 0 - 11398 H2O 3128 H2O O1 4 -0.847600 15.9994 0 - 11399 H2O 3128 H2O H1 3 0.423800 1.0079 0 - 11400 H2O 3128 H2O H2 3 0.423800 1.0079 0 - 11401 H2O 3129 H2O O1 4 -0.847600 15.9994 0 - 11402 H2O 3129 H2O H1 3 0.423800 1.0079 0 - 11403 H2O 3129 H2O H2 3 0.423800 1.0079 0 - 11404 H2O 3130 H2O O1 4 -0.847600 15.9994 0 - 11405 H2O 3130 H2O H1 3 0.423800 1.0079 0 - 11406 H2O 3130 H2O H2 3 0.423800 1.0079 0 - 11407 H2O 3131 H2O O1 4 -0.847600 15.9994 0 - 11408 H2O 3131 H2O H1 3 0.423800 1.0079 0 - 11409 H2O 3131 H2O H2 3 0.423800 1.0079 0 - 11410 H2O 3132 H2O O1 4 -0.847600 15.9994 0 - 11411 H2O 3132 H2O H1 3 0.423800 1.0079 0 - 11412 H2O 3132 H2O H2 3 0.423800 1.0079 0 - 11413 H2O 3133 H2O O1 4 -0.847600 15.9994 0 - 11414 H2O 3133 H2O H1 3 0.423800 1.0079 0 - 11415 H2O 3133 H2O H2 3 0.423800 1.0079 0 - 11416 H2O 3134 H2O O1 4 -0.847600 15.9994 0 - 11417 H2O 3134 H2O H1 3 0.423800 1.0079 0 - 11418 H2O 3134 H2O H2 3 0.423800 1.0079 0 - 11419 H2O 3135 H2O O1 4 -0.847600 15.9994 0 - 11420 H2O 3135 H2O H1 3 0.423800 1.0079 0 - 11421 H2O 3135 H2O H2 3 0.423800 1.0079 0 - 11422 H2O 3136 H2O O1 4 -0.847600 15.9994 0 - 11423 H2O 3136 H2O H1 3 0.423800 1.0079 0 - 11424 H2O 3136 H2O H2 3 0.423800 1.0079 0 - 11425 H2O 3137 H2O O1 4 -0.847600 15.9994 0 - 11426 H2O 3137 H2O H1 3 0.423800 1.0079 0 - 11427 H2O 3137 H2O H2 3 0.423800 1.0079 0 - 11428 H2O 3138 H2O O1 4 -0.847600 15.9994 0 - 11429 H2O 3138 H2O H1 3 0.423800 1.0079 0 - 11430 H2O 3138 H2O H2 3 0.423800 1.0079 0 - 11431 H2O 3139 H2O O1 4 -0.847600 15.9994 0 - 11432 H2O 3139 H2O H1 3 0.423800 1.0079 0 - 11433 H2O 3139 H2O H2 3 0.423800 1.0079 0 - 11434 H2O 3140 H2O O1 4 -0.847600 15.9994 0 - 11435 H2O 3140 H2O H1 3 0.423800 1.0079 0 - 11436 H2O 3140 H2O H2 3 0.423800 1.0079 0 - 11437 H2O 3141 H2O O1 4 -0.847600 15.9994 0 - 11438 H2O 3141 H2O H1 3 0.423800 1.0079 0 - 11439 H2O 3141 H2O H2 3 0.423800 1.0079 0 - 11440 H2O 3142 H2O O1 4 -0.847600 15.9994 0 - 11441 H2O 3142 H2O H1 3 0.423800 1.0079 0 - 11442 H2O 3142 H2O H2 3 0.423800 1.0079 0 - 11443 H2O 3143 H2O O1 4 -0.847600 15.9994 0 - 11444 H2O 3143 H2O H1 3 0.423800 1.0079 0 - 11445 H2O 3143 H2O H2 3 0.423800 1.0079 0 - 11446 H2O 3144 H2O O1 4 -0.847600 15.9994 0 - 11447 H2O 3144 H2O H1 3 0.423800 1.0079 0 - 11448 H2O 3144 H2O H2 3 0.423800 1.0079 0 - 11449 H2O 3145 H2O O1 4 -0.847600 15.9994 0 - 11450 H2O 3145 H2O H1 3 0.423800 1.0079 0 - 11451 H2O 3145 H2O H2 3 0.423800 1.0079 0 - 11452 H2O 3146 H2O O1 4 -0.847600 15.9994 0 - 11453 H2O 3146 H2O H1 3 0.423800 1.0079 0 - 11454 H2O 3146 H2O H2 3 0.423800 1.0079 0 - 11455 H2O 3147 H2O O1 4 -0.847600 15.9994 0 - 11456 H2O 3147 H2O H1 3 0.423800 1.0079 0 - 11457 H2O 3147 H2O H2 3 0.423800 1.0079 0 - 11458 H2O 3148 H2O O1 4 -0.847600 15.9994 0 - 11459 H2O 3148 H2O H1 3 0.423800 1.0079 0 - 11460 H2O 3148 H2O H2 3 0.423800 1.0079 0 - 11461 H2O 3149 H2O O1 4 -0.847600 15.9994 0 - 11462 H2O 3149 H2O H1 3 0.423800 1.0079 0 - 11463 H2O 3149 H2O H2 3 0.423800 1.0079 0 - 11464 H2O 3150 H2O O1 4 -0.847600 15.9994 0 - 11465 H2O 3150 H2O H1 3 0.423800 1.0079 0 - 11466 H2O 3150 H2O H2 3 0.423800 1.0079 0 - 11467 H2O 3151 H2O O1 4 -0.847600 15.9994 0 - 11468 H2O 3151 H2O H1 3 0.423800 1.0079 0 - 11469 H2O 3151 H2O H2 3 0.423800 1.0079 0 - 11470 H2O 3152 H2O O1 4 -0.847600 15.9994 0 - 11471 H2O 3152 H2O H1 3 0.423800 1.0079 0 - 11472 H2O 3152 H2O H2 3 0.423800 1.0079 0 - 11473 H2O 3153 H2O O1 4 -0.847600 15.9994 0 - 11474 H2O 3153 H2O H1 3 0.423800 1.0079 0 - 11475 H2O 3153 H2O H2 3 0.423800 1.0079 0 - 11476 H2O 3154 H2O O1 4 -0.847600 15.9994 0 - 11477 H2O 3154 H2O H1 3 0.423800 1.0079 0 - 11478 H2O 3154 H2O H2 3 0.423800 1.0079 0 - 11479 H2O 3155 H2O O1 4 -0.847600 15.9994 0 - 11480 H2O 3155 H2O H1 3 0.423800 1.0079 0 - 11481 H2O 3155 H2O H2 3 0.423800 1.0079 0 - 11482 H2O 3156 H2O O1 4 -0.847600 15.9994 0 - 11483 H2O 3156 H2O H1 3 0.423800 1.0079 0 - 11484 H2O 3156 H2O H2 3 0.423800 1.0079 0 - 11485 H2O 3157 H2O O1 4 -0.847600 15.9994 0 - 11486 H2O 3157 H2O H1 3 0.423800 1.0079 0 - 11487 H2O 3157 H2O H2 3 0.423800 1.0079 0 - 11488 H2O 3158 H2O O1 4 -0.847600 15.9994 0 - 11489 H2O 3158 H2O H1 3 0.423800 1.0079 0 - 11490 H2O 3158 H2O H2 3 0.423800 1.0079 0 - 11491 H2O 3159 H2O O1 4 -0.847600 15.9994 0 - 11492 H2O 3159 H2O H1 3 0.423800 1.0079 0 - 11493 H2O 3159 H2O H2 3 0.423800 1.0079 0 - 11494 H2O 3160 H2O O1 4 -0.847600 15.9994 0 - 11495 H2O 3160 H2O H1 3 0.423800 1.0079 0 - 11496 H2O 3160 H2O H2 3 0.423800 1.0079 0 - 11497 H2O 3161 H2O O1 4 -0.847600 15.9994 0 - 11498 H2O 3161 H2O H1 3 0.423800 1.0079 0 - 11499 H2O 3161 H2O H2 3 0.423800 1.0079 0 - 11500 H2O 3162 H2O O1 4 -0.847600 15.9994 0 - 11501 H2O 3162 H2O H1 3 0.423800 1.0079 0 - 11502 H2O 3162 H2O H2 3 0.423800 1.0079 0 - 11503 H2O 3163 H2O O1 4 -0.847600 15.9994 0 - 11504 H2O 3163 H2O H1 3 0.423800 1.0079 0 - 11505 H2O 3163 H2O H2 3 0.423800 1.0079 0 - 11506 H2O 3164 H2O O1 4 -0.847600 15.9994 0 - 11507 H2O 3164 H2O H1 3 0.423800 1.0079 0 - 11508 H2O 3164 H2O H2 3 0.423800 1.0079 0 - 11509 H2O 3165 H2O O1 4 -0.847600 15.9994 0 - 11510 H2O 3165 H2O H1 3 0.423800 1.0079 0 - 11511 H2O 3165 H2O H2 3 0.423800 1.0079 0 - 11512 H2O 3166 H2O O1 4 -0.847600 15.9994 0 - 11513 H2O 3166 H2O H1 3 0.423800 1.0079 0 - 11514 H2O 3166 H2O H2 3 0.423800 1.0079 0 - 11515 H2O 3167 H2O O1 4 -0.847600 15.9994 0 - 11516 H2O 3167 H2O H1 3 0.423800 1.0079 0 - 11517 H2O 3167 H2O H2 3 0.423800 1.0079 0 - 11518 H2O 3168 H2O O1 4 -0.847600 15.9994 0 - 11519 H2O 3168 H2O H1 3 0.423800 1.0079 0 - 11520 H2O 3168 H2O H2 3 0.423800 1.0079 0 - 11521 H2O 3169 H2O O1 4 -0.847600 15.9994 0 - 11522 H2O 3169 H2O H1 3 0.423800 1.0079 0 - 11523 H2O 3169 H2O H2 3 0.423800 1.0079 0 - 11524 H2O 3170 H2O O1 4 -0.847600 15.9994 0 - 11525 H2O 3170 H2O H1 3 0.423800 1.0079 0 - 11526 H2O 3170 H2O H2 3 0.423800 1.0079 0 - 11527 H2O 3171 H2O O1 4 -0.847600 15.9994 0 - 11528 H2O 3171 H2O H1 3 0.423800 1.0079 0 - 11529 H2O 3171 H2O H2 3 0.423800 1.0079 0 - 11530 H2O 3172 H2O O1 4 -0.847600 15.9994 0 - 11531 H2O 3172 H2O H1 3 0.423800 1.0079 0 - 11532 H2O 3172 H2O H2 3 0.423800 1.0079 0 - 11533 H2O 3173 H2O O1 4 -0.847600 15.9994 0 - 11534 H2O 3173 H2O H1 3 0.423800 1.0079 0 - 11535 H2O 3173 H2O H2 3 0.423800 1.0079 0 - 11536 H2O 3174 H2O O1 4 -0.847600 15.9994 0 - 11537 H2O 3174 H2O H1 3 0.423800 1.0079 0 - 11538 H2O 3174 H2O H2 3 0.423800 1.0079 0 - 11539 H2O 3175 H2O O1 4 -0.847600 15.9994 0 - 11540 H2O 3175 H2O H1 3 0.423800 1.0079 0 - 11541 H2O 3175 H2O H2 3 0.423800 1.0079 0 - 11542 H2O 3176 H2O O1 4 -0.847600 15.9994 0 - 11543 H2O 3176 H2O H1 3 0.423800 1.0079 0 - 11544 H2O 3176 H2O H2 3 0.423800 1.0079 0 - 11545 H2O 3177 H2O O1 4 -0.847600 15.9994 0 - 11546 H2O 3177 H2O H1 3 0.423800 1.0079 0 - 11547 H2O 3177 H2O H2 3 0.423800 1.0079 0 - 11548 H2O 3178 H2O O1 4 -0.847600 15.9994 0 - 11549 H2O 3178 H2O H1 3 0.423800 1.0079 0 - 11550 H2O 3178 H2O H2 3 0.423800 1.0079 0 - 11551 H2O 3179 H2O O1 4 -0.847600 15.9994 0 - 11552 H2O 3179 H2O H1 3 0.423800 1.0079 0 - 11553 H2O 3179 H2O H2 3 0.423800 1.0079 0 - 11554 H2O 3180 H2O O1 4 -0.847600 15.9994 0 - 11555 H2O 3180 H2O H1 3 0.423800 1.0079 0 - 11556 H2O 3180 H2O H2 3 0.423800 1.0079 0 - 11557 H2O 3181 H2O O1 4 -0.847600 15.9994 0 - 11558 H2O 3181 H2O H1 3 0.423800 1.0079 0 - 11559 H2O 3181 H2O H2 3 0.423800 1.0079 0 - 11560 H2O 3182 H2O O1 4 -0.847600 15.9994 0 - 11561 H2O 3182 H2O H1 3 0.423800 1.0079 0 - 11562 H2O 3182 H2O H2 3 0.423800 1.0079 0 - 11563 H2O 3183 H2O O1 4 -0.847600 15.9994 0 - 11564 H2O 3183 H2O H1 3 0.423800 1.0079 0 - 11565 H2O 3183 H2O H2 3 0.423800 1.0079 0 - 11566 H2O 3184 H2O O1 4 -0.847600 15.9994 0 - 11567 H2O 3184 H2O H1 3 0.423800 1.0079 0 - 11568 H2O 3184 H2O H2 3 0.423800 1.0079 0 - 11569 H2O 3185 H2O O1 4 -0.847600 15.9994 0 - 11570 H2O 3185 H2O H1 3 0.423800 1.0079 0 - 11571 H2O 3185 H2O H2 3 0.423800 1.0079 0 - 11572 H2O 3186 H2O O1 4 -0.847600 15.9994 0 - 11573 H2O 3186 H2O H1 3 0.423800 1.0079 0 - 11574 H2O 3186 H2O H2 3 0.423800 1.0079 0 - 11575 H2O 3187 H2O O1 4 -0.847600 15.9994 0 - 11576 H2O 3187 H2O H1 3 0.423800 1.0079 0 - 11577 H2O 3187 H2O H2 3 0.423800 1.0079 0 - 11578 H2O 3188 H2O O1 4 -0.847600 15.9994 0 - 11579 H2O 3188 H2O H1 3 0.423800 1.0079 0 - 11580 H2O 3188 H2O H2 3 0.423800 1.0079 0 - 11581 H2O 3189 H2O O1 4 -0.847600 15.9994 0 - 11582 H2O 3189 H2O H1 3 0.423800 1.0079 0 - 11583 H2O 3189 H2O H2 3 0.423800 1.0079 0 - 11584 H2O 3190 H2O O1 4 -0.847600 15.9994 0 - 11585 H2O 3190 H2O H1 3 0.423800 1.0079 0 - 11586 H2O 3190 H2O H2 3 0.423800 1.0079 0 - 11587 H2O 3191 H2O O1 4 -0.847600 15.9994 0 - 11588 H2O 3191 H2O H1 3 0.423800 1.0079 0 - 11589 H2O 3191 H2O H2 3 0.423800 1.0079 0 - 11590 H2O 3192 H2O O1 4 -0.847600 15.9994 0 - 11591 H2O 3192 H2O H1 3 0.423800 1.0079 0 - 11592 H2O 3192 H2O H2 3 0.423800 1.0079 0 - 11593 H2O 3193 H2O O1 4 -0.847600 15.9994 0 - 11594 H2O 3193 H2O H1 3 0.423800 1.0079 0 - 11595 H2O 3193 H2O H2 3 0.423800 1.0079 0 - 11596 H2O 3194 H2O O1 4 -0.847600 15.9994 0 - 11597 H2O 3194 H2O H1 3 0.423800 1.0079 0 - 11598 H2O 3194 H2O H2 3 0.423800 1.0079 0 - 11599 H2O 3195 H2O O1 4 -0.847600 15.9994 0 - 11600 H2O 3195 H2O H1 3 0.423800 1.0079 0 - 11601 H2O 3195 H2O H2 3 0.423800 1.0079 0 - 11602 H2O 3196 H2O O1 4 -0.847600 15.9994 0 - 11603 H2O 3196 H2O H1 3 0.423800 1.0079 0 - 11604 H2O 3196 H2O H2 3 0.423800 1.0079 0 - 11605 H2O 3197 H2O O1 4 -0.847600 15.9994 0 - 11606 H2O 3197 H2O H1 3 0.423800 1.0079 0 - 11607 H2O 3197 H2O H2 3 0.423800 1.0079 0 - 11608 H2O 3198 H2O O1 4 -0.847600 15.9994 0 - 11609 H2O 3198 H2O H1 3 0.423800 1.0079 0 - 11610 H2O 3198 H2O H2 3 0.423800 1.0079 0 - 11611 H2O 3199 H2O O1 4 -0.847600 15.9994 0 - 11612 H2O 3199 H2O H1 3 0.423800 1.0079 0 - 11613 H2O 3199 H2O H2 3 0.423800 1.0079 0 - 11614 H2O 3200 H2O O1 4 -0.847600 15.9994 0 - 11615 H2O 3200 H2O H1 3 0.423800 1.0079 0 - 11616 H2O 3200 H2O H2 3 0.423800 1.0079 0 - 11617 H2O 3201 H2O O1 4 -0.847600 15.9994 0 - 11618 H2O 3201 H2O H1 3 0.423800 1.0079 0 - 11619 H2O 3201 H2O H2 3 0.423800 1.0079 0 - 11620 H2O 3202 H2O O1 4 -0.847600 15.9994 0 - 11621 H2O 3202 H2O H1 3 0.423800 1.0079 0 - 11622 H2O 3202 H2O H2 3 0.423800 1.0079 0 - 11623 H2O 3203 H2O O1 4 -0.847600 15.9994 0 - 11624 H2O 3203 H2O H1 3 0.423800 1.0079 0 - 11625 H2O 3203 H2O H2 3 0.423800 1.0079 0 - 11626 H2O 3204 H2O O1 4 -0.847600 15.9994 0 - 11627 H2O 3204 H2O H1 3 0.423800 1.0079 0 - 11628 H2O 3204 H2O H2 3 0.423800 1.0079 0 - 11629 H2O 3205 H2O O1 4 -0.847600 15.9994 0 - 11630 H2O 3205 H2O H1 3 0.423800 1.0079 0 - 11631 H2O 3205 H2O H2 3 0.423800 1.0079 0 - 11632 H2O 3206 H2O O1 4 -0.847600 15.9994 0 - 11633 H2O 3206 H2O H1 3 0.423800 1.0079 0 - 11634 H2O 3206 H2O H2 3 0.423800 1.0079 0 - 11635 H2O 3207 H2O O1 4 -0.847600 15.9994 0 - 11636 H2O 3207 H2O H1 3 0.423800 1.0079 0 - 11637 H2O 3207 H2O H2 3 0.423800 1.0079 0 - 11638 H2O 3208 H2O O1 4 -0.847600 15.9994 0 - 11639 H2O 3208 H2O H1 3 0.423800 1.0079 0 - 11640 H2O 3208 H2O H2 3 0.423800 1.0079 0 - 11641 H2O 3209 H2O O1 4 -0.847600 15.9994 0 - 11642 H2O 3209 H2O H1 3 0.423800 1.0079 0 - 11643 H2O 3209 H2O H2 3 0.423800 1.0079 0 - 11644 H2O 3210 H2O O1 4 -0.847600 15.9994 0 - 11645 H2O 3210 H2O H1 3 0.423800 1.0079 0 - 11646 H2O 3210 H2O H2 3 0.423800 1.0079 0 - 11647 H2O 3211 H2O O1 4 -0.847600 15.9994 0 - 11648 H2O 3211 H2O H1 3 0.423800 1.0079 0 - 11649 H2O 3211 H2O H2 3 0.423800 1.0079 0 - 11650 H2O 3212 H2O O1 4 -0.847600 15.9994 0 - 11651 H2O 3212 H2O H1 3 0.423800 1.0079 0 - 11652 H2O 3212 H2O H2 3 0.423800 1.0079 0 - 11653 H2O 3213 H2O O1 4 -0.847600 15.9994 0 - 11654 H2O 3213 H2O H1 3 0.423800 1.0079 0 - 11655 H2O 3213 H2O H2 3 0.423800 1.0079 0 - 11656 H2O 3214 H2O O1 4 -0.847600 15.9994 0 - 11657 H2O 3214 H2O H1 3 0.423800 1.0079 0 - 11658 H2O 3214 H2O H2 3 0.423800 1.0079 0 - 11659 H2O 3215 H2O O1 4 -0.847600 15.9994 0 - 11660 H2O 3215 H2O H1 3 0.423800 1.0079 0 - 11661 H2O 3215 H2O H2 3 0.423800 1.0079 0 - 11662 H2O 3216 H2O O1 4 -0.847600 15.9994 0 - 11663 H2O 3216 H2O H1 3 0.423800 1.0079 0 - 11664 H2O 3216 H2O H2 3 0.423800 1.0079 0 - 11665 H2O 3217 H2O O1 4 -0.847600 15.9994 0 - 11666 H2O 3217 H2O H1 3 0.423800 1.0079 0 - 11667 H2O 3217 H2O H2 3 0.423800 1.0079 0 - 11668 H2O 3218 H2O O1 4 -0.847600 15.9994 0 - 11669 H2O 3218 H2O H1 3 0.423800 1.0079 0 - 11670 H2O 3218 H2O H2 3 0.423800 1.0079 0 - 11671 H2O 3219 H2O O1 4 -0.847600 15.9994 0 - 11672 H2O 3219 H2O H1 3 0.423800 1.0079 0 - 11673 H2O 3219 H2O H2 3 0.423800 1.0079 0 - 11674 H2O 3220 H2O O1 4 -0.847600 15.9994 0 - 11675 H2O 3220 H2O H1 3 0.423800 1.0079 0 - 11676 H2O 3220 H2O H2 3 0.423800 1.0079 0 - 11677 H2O 3221 H2O O1 4 -0.847600 15.9994 0 - 11678 H2O 3221 H2O H1 3 0.423800 1.0079 0 - 11679 H2O 3221 H2O H2 3 0.423800 1.0079 0 - 11680 H2O 3222 H2O O1 4 -0.847600 15.9994 0 - 11681 H2O 3222 H2O H1 3 0.423800 1.0079 0 - 11682 H2O 3222 H2O H2 3 0.423800 1.0079 0 - 11683 H2O 3223 H2O O1 4 -0.847600 15.9994 0 - 11684 H2O 3223 H2O H1 3 0.423800 1.0079 0 - 11685 H2O 3223 H2O H2 3 0.423800 1.0079 0 - 11686 H2O 3224 H2O O1 4 -0.847600 15.9994 0 - 11687 H2O 3224 H2O H1 3 0.423800 1.0079 0 - 11688 H2O 3224 H2O H2 3 0.423800 1.0079 0 - 11689 H2O 3225 H2O O1 4 -0.847600 15.9994 0 - 11690 H2O 3225 H2O H1 3 0.423800 1.0079 0 - 11691 H2O 3225 H2O H2 3 0.423800 1.0079 0 - 11692 H2O 3226 H2O O1 4 -0.847600 15.9994 0 - 11693 H2O 3226 H2O H1 3 0.423800 1.0079 0 - 11694 H2O 3226 H2O H2 3 0.423800 1.0079 0 - 11695 H2O 3227 H2O O1 4 -0.847600 15.9994 0 - 11696 H2O 3227 H2O H1 3 0.423800 1.0079 0 - 11697 H2O 3227 H2O H2 3 0.423800 1.0079 0 - 11698 H2O 3228 H2O O1 4 -0.847600 15.9994 0 - 11699 H2O 3228 H2O H1 3 0.423800 1.0079 0 - 11700 H2O 3228 H2O H2 3 0.423800 1.0079 0 - 11701 H2O 3229 H2O O1 4 -0.847600 15.9994 0 - 11702 H2O 3229 H2O H1 3 0.423800 1.0079 0 - 11703 H2O 3229 H2O H2 3 0.423800 1.0079 0 - 11704 H2O 3230 H2O O1 4 -0.847600 15.9994 0 - 11705 H2O 3230 H2O H1 3 0.423800 1.0079 0 - 11706 H2O 3230 H2O H2 3 0.423800 1.0079 0 - 11707 H2O 3231 H2O O1 4 -0.847600 15.9994 0 - 11708 H2O 3231 H2O H1 3 0.423800 1.0079 0 - 11709 H2O 3231 H2O H2 3 0.423800 1.0079 0 - 11710 H2O 3232 H2O O1 4 -0.847600 15.9994 0 - 11711 H2O 3232 H2O H1 3 0.423800 1.0079 0 - 11712 H2O 3232 H2O H2 3 0.423800 1.0079 0 - 11713 H2O 3233 H2O O1 4 -0.847600 15.9994 0 - 11714 H2O 3233 H2O H1 3 0.423800 1.0079 0 - 11715 H2O 3233 H2O H2 3 0.423800 1.0079 0 - 11716 H2O 3234 H2O O1 4 -0.847600 15.9994 0 - 11717 H2O 3234 H2O H1 3 0.423800 1.0079 0 - 11718 H2O 3234 H2O H2 3 0.423800 1.0079 0 - 11719 H2O 3235 H2O O1 4 -0.847600 15.9994 0 - 11720 H2O 3235 H2O H1 3 0.423800 1.0079 0 - 11721 H2O 3235 H2O H2 3 0.423800 1.0079 0 - 11722 H2O 3236 H2O O1 4 -0.847600 15.9994 0 - 11723 H2O 3236 H2O H1 3 0.423800 1.0079 0 - 11724 H2O 3236 H2O H2 3 0.423800 1.0079 0 - 11725 H2O 3237 H2O O1 4 -0.847600 15.9994 0 - 11726 H2O 3237 H2O H1 3 0.423800 1.0079 0 - 11727 H2O 3237 H2O H2 3 0.423800 1.0079 0 - 11728 H2O 3238 H2O O1 4 -0.847600 15.9994 0 - 11729 H2O 3238 H2O H1 3 0.423800 1.0079 0 - 11730 H2O 3238 H2O H2 3 0.423800 1.0079 0 - 11731 H2O 3239 H2O O1 4 -0.847600 15.9994 0 - 11732 H2O 3239 H2O H1 3 0.423800 1.0079 0 - 11733 H2O 3239 H2O H2 3 0.423800 1.0079 0 - 11734 H2O 3240 H2O O1 4 -0.847600 15.9994 0 - 11735 H2O 3240 H2O H1 3 0.423800 1.0079 0 - 11736 H2O 3240 H2O H2 3 0.423800 1.0079 0 - 11737 H2O 3241 H2O O1 4 -0.847600 15.9994 0 - 11738 H2O 3241 H2O H1 3 0.423800 1.0079 0 - 11739 H2O 3241 H2O H2 3 0.423800 1.0079 0 - 11740 H2O 3242 H2O O1 4 -0.847600 15.9994 0 - 11741 H2O 3242 H2O H1 3 0.423800 1.0079 0 - 11742 H2O 3242 H2O H2 3 0.423800 1.0079 0 - 11743 H2O 3243 H2O O1 4 -0.847600 15.9994 0 - 11744 H2O 3243 H2O H1 3 0.423800 1.0079 0 - 11745 H2O 3243 H2O H2 3 0.423800 1.0079 0 - 11746 H2O 3244 H2O O1 4 -0.847600 15.9994 0 - 11747 H2O 3244 H2O H1 3 0.423800 1.0079 0 - 11748 H2O 3244 H2O H2 3 0.423800 1.0079 0 - 11749 H2O 3245 H2O O1 4 -0.847600 15.9994 0 - 11750 H2O 3245 H2O H1 3 0.423800 1.0079 0 - 11751 H2O 3245 H2O H2 3 0.423800 1.0079 0 - 11752 H2O 3246 H2O O1 4 -0.847600 15.9994 0 - 11753 H2O 3246 H2O H1 3 0.423800 1.0079 0 - 11754 H2O 3246 H2O H2 3 0.423800 1.0079 0 - 11755 H2O 3247 H2O O1 4 -0.847600 15.9994 0 - 11756 H2O 3247 H2O H1 3 0.423800 1.0079 0 - 11757 H2O 3247 H2O H2 3 0.423800 1.0079 0 - 11758 H2O 3248 H2O O1 4 -0.847600 15.9994 0 - 11759 H2O 3248 H2O H1 3 0.423800 1.0079 0 - 11760 H2O 3248 H2O H2 3 0.423800 1.0079 0 - 11761 H2O 3249 H2O O1 4 -0.847600 15.9994 0 - 11762 H2O 3249 H2O H1 3 0.423800 1.0079 0 - 11763 H2O 3249 H2O H2 3 0.423800 1.0079 0 - 11764 H2O 3250 H2O O1 4 -0.847600 15.9994 0 - 11765 H2O 3250 H2O H1 3 0.423800 1.0079 0 - 11766 H2O 3250 H2O H2 3 0.423800 1.0079 0 - 11767 H2O 3251 H2O O1 4 -0.847600 15.9994 0 - 11768 H2O 3251 H2O H1 3 0.423800 1.0079 0 - 11769 H2O 3251 H2O H2 3 0.423800 1.0079 0 - 11770 H2O 3252 H2O O1 4 -0.847600 15.9994 0 - 11771 H2O 3252 H2O H1 3 0.423800 1.0079 0 - 11772 H2O 3252 H2O H2 3 0.423800 1.0079 0 - 11773 H2O 3253 H2O O1 4 -0.847600 15.9994 0 - 11774 H2O 3253 H2O H1 3 0.423800 1.0079 0 - 11775 H2O 3253 H2O H2 3 0.423800 1.0079 0 - 11776 H2O 3254 H2O O1 4 -0.847600 15.9994 0 - 11777 H2O 3254 H2O H1 3 0.423800 1.0079 0 - 11778 H2O 3254 H2O H2 3 0.423800 1.0079 0 - 11779 H2O 3255 H2O O1 4 -0.847600 15.9994 0 - 11780 H2O 3255 H2O H1 3 0.423800 1.0079 0 - 11781 H2O 3255 H2O H2 3 0.423800 1.0079 0 - 11782 H2O 3256 H2O O1 4 -0.847600 15.9994 0 - 11783 H2O 3256 H2O H1 3 0.423800 1.0079 0 - 11784 H2O 3256 H2O H2 3 0.423800 1.0079 0 - 11785 H2O 3257 H2O O1 4 -0.847600 15.9994 0 - 11786 H2O 3257 H2O H1 3 0.423800 1.0079 0 - 11787 H2O 3257 H2O H2 3 0.423800 1.0079 0 - 11788 H2O 3258 H2O O1 4 -0.847600 15.9994 0 - 11789 H2O 3258 H2O H1 3 0.423800 1.0079 0 - 11790 H2O 3258 H2O H2 3 0.423800 1.0079 0 - 11791 H2O 3259 H2O O1 4 -0.847600 15.9994 0 - 11792 H2O 3259 H2O H1 3 0.423800 1.0079 0 - 11793 H2O 3259 H2O H2 3 0.423800 1.0079 0 - 11794 H2O 3260 H2O O1 4 -0.847600 15.9994 0 - 11795 H2O 3260 H2O H1 3 0.423800 1.0079 0 - 11796 H2O 3260 H2O H2 3 0.423800 1.0079 0 - 11797 H2O 3261 H2O O1 4 -0.847600 15.9994 0 - 11798 H2O 3261 H2O H1 3 0.423800 1.0079 0 - 11799 H2O 3261 H2O H2 3 0.423800 1.0079 0 - 11800 H2O 3262 H2O O1 4 -0.847600 15.9994 0 - 11801 H2O 3262 H2O H1 3 0.423800 1.0079 0 - 11802 H2O 3262 H2O H2 3 0.423800 1.0079 0 - 11803 H2O 3263 H2O O1 4 -0.847600 15.9994 0 - 11804 H2O 3263 H2O H1 3 0.423800 1.0079 0 - 11805 H2O 3263 H2O H2 3 0.423800 1.0079 0 - 11806 H2O 3264 H2O O1 4 -0.847600 15.9994 0 - 11807 H2O 3264 H2O H1 3 0.423800 1.0079 0 - 11808 H2O 3264 H2O H2 3 0.423800 1.0079 0 - 11809 H2O 3265 H2O O1 4 -0.847600 15.9994 0 - 11810 H2O 3265 H2O H1 3 0.423800 1.0079 0 - 11811 H2O 3265 H2O H2 3 0.423800 1.0079 0 - 11812 H2O 3266 H2O O1 4 -0.847600 15.9994 0 - 11813 H2O 3266 H2O H1 3 0.423800 1.0079 0 - 11814 H2O 3266 H2O H2 3 0.423800 1.0079 0 - 11815 H2O 3267 H2O O1 4 -0.847600 15.9994 0 - 11816 H2O 3267 H2O H1 3 0.423800 1.0079 0 - 11817 H2O 3267 H2O H2 3 0.423800 1.0079 0 - 11818 H2O 3268 H2O O1 4 -0.847600 15.9994 0 - 11819 H2O 3268 H2O H1 3 0.423800 1.0079 0 - 11820 H2O 3268 H2O H2 3 0.423800 1.0079 0 - 11821 H2O 3269 H2O O1 4 -0.847600 15.9994 0 - 11822 H2O 3269 H2O H1 3 0.423800 1.0079 0 - 11823 H2O 3269 H2O H2 3 0.423800 1.0079 0 - 11824 H2O 3270 H2O O1 4 -0.847600 15.9994 0 - 11825 H2O 3270 H2O H1 3 0.423800 1.0079 0 - 11826 H2O 3270 H2O H2 3 0.423800 1.0079 0 - 11827 H2O 3271 H2O O1 4 -0.847600 15.9994 0 - 11828 H2O 3271 H2O H1 3 0.423800 1.0079 0 - 11829 H2O 3271 H2O H2 3 0.423800 1.0079 0 - 11830 H2O 3272 H2O O1 4 -0.847600 15.9994 0 - 11831 H2O 3272 H2O H1 3 0.423800 1.0079 0 - 11832 H2O 3272 H2O H2 3 0.423800 1.0079 0 - 11833 H2O 3273 H2O O1 4 -0.847600 15.9994 0 - 11834 H2O 3273 H2O H1 3 0.423800 1.0079 0 - 11835 H2O 3273 H2O H2 3 0.423800 1.0079 0 - 11836 H2O 3274 H2O O1 4 -0.847600 15.9994 0 - 11837 H2O 3274 H2O H1 3 0.423800 1.0079 0 - 11838 H2O 3274 H2O H2 3 0.423800 1.0079 0 - 11839 H2O 3275 H2O O1 4 -0.847600 15.9994 0 - 11840 H2O 3275 H2O H1 3 0.423800 1.0079 0 - 11841 H2O 3275 H2O H2 3 0.423800 1.0079 0 - 11842 H2O 3276 H2O O1 4 -0.847600 15.9994 0 - 11843 H2O 3276 H2O H1 3 0.423800 1.0079 0 - 11844 H2O 3276 H2O H2 3 0.423800 1.0079 0 - 11845 H2O 3277 H2O O1 4 -0.847600 15.9994 0 - 11846 H2O 3277 H2O H1 3 0.423800 1.0079 0 - 11847 H2O 3277 H2O H2 3 0.423800 1.0079 0 - 11848 H2O 3278 H2O O1 4 -0.847600 15.9994 0 - 11849 H2O 3278 H2O H1 3 0.423800 1.0079 0 - 11850 H2O 3278 H2O H2 3 0.423800 1.0079 0 - 11851 H2O 3279 H2O O1 4 -0.847600 15.9994 0 - 11852 H2O 3279 H2O H1 3 0.423800 1.0079 0 - 11853 H2O 3279 H2O H2 3 0.423800 1.0079 0 - 11854 H2O 3280 H2O O1 4 -0.847600 15.9994 0 - 11855 H2O 3280 H2O H1 3 0.423800 1.0079 0 - 11856 H2O 3280 H2O H2 3 0.423800 1.0079 0 - 11857 H2O 3281 H2O O1 4 -0.847600 15.9994 0 - 11858 H2O 3281 H2O H1 3 0.423800 1.0079 0 - 11859 H2O 3281 H2O H2 3 0.423800 1.0079 0 - 11860 H2O 3282 H2O O1 4 -0.847600 15.9994 0 - 11861 H2O 3282 H2O H1 3 0.423800 1.0079 0 - 11862 H2O 3282 H2O H2 3 0.423800 1.0079 0 - 11863 H2O 3283 H2O O1 4 -0.847600 15.9994 0 - 11864 H2O 3283 H2O H1 3 0.423800 1.0079 0 - 11865 H2O 3283 H2O H2 3 0.423800 1.0079 0 - 11866 H2O 3284 H2O O1 4 -0.847600 15.9994 0 - 11867 H2O 3284 H2O H1 3 0.423800 1.0079 0 - 11868 H2O 3284 H2O H2 3 0.423800 1.0079 0 - 11869 H2O 3285 H2O O1 4 -0.847600 15.9994 0 - 11870 H2O 3285 H2O H1 3 0.423800 1.0079 0 - 11871 H2O 3285 H2O H2 3 0.423800 1.0079 0 - 11872 H2O 3286 H2O O1 4 -0.847600 15.9994 0 - 11873 H2O 3286 H2O H1 3 0.423800 1.0079 0 - 11874 H2O 3286 H2O H2 3 0.423800 1.0079 0 - 11875 H2O 3287 H2O O1 4 -0.847600 15.9994 0 - 11876 H2O 3287 H2O H1 3 0.423800 1.0079 0 - 11877 H2O 3287 H2O H2 3 0.423800 1.0079 0 - 11878 H2O 3288 H2O O1 4 -0.847600 15.9994 0 - 11879 H2O 3288 H2O H1 3 0.423800 1.0079 0 - 11880 H2O 3288 H2O H2 3 0.423800 1.0079 0 - 11881 H2O 3289 H2O O1 4 -0.847600 15.9994 0 - 11882 H2O 3289 H2O H1 3 0.423800 1.0079 0 - 11883 H2O 3289 H2O H2 3 0.423800 1.0079 0 - 11884 H2O 3290 H2O O1 4 -0.847600 15.9994 0 - 11885 H2O 3290 H2O H1 3 0.423800 1.0079 0 - 11886 H2O 3290 H2O H2 3 0.423800 1.0079 0 - 11887 H2O 3291 H2O O1 4 -0.847600 15.9994 0 - 11888 H2O 3291 H2O H1 3 0.423800 1.0079 0 - 11889 H2O 3291 H2O H2 3 0.423800 1.0079 0 - 11890 H2O 3292 H2O O1 4 -0.847600 15.9994 0 - 11891 H2O 3292 H2O H1 3 0.423800 1.0079 0 - 11892 H2O 3292 H2O H2 3 0.423800 1.0079 0 - 11893 H2O 3293 H2O O1 4 -0.847600 15.9994 0 - 11894 H2O 3293 H2O H1 3 0.423800 1.0079 0 - 11895 H2O 3293 H2O H2 3 0.423800 1.0079 0 - 11896 H2O 3294 H2O O1 4 -0.847600 15.9994 0 - 11897 H2O 3294 H2O H1 3 0.423800 1.0079 0 - 11898 H2O 3294 H2O H2 3 0.423800 1.0079 0 - 11899 H2O 3295 H2O O1 4 -0.847600 15.9994 0 - 11900 H2O 3295 H2O H1 3 0.423800 1.0079 0 - 11901 H2O 3295 H2O H2 3 0.423800 1.0079 0 - 11902 H2O 3296 H2O O1 4 -0.847600 15.9994 0 - 11903 H2O 3296 H2O H1 3 0.423800 1.0079 0 - 11904 H2O 3296 H2O H2 3 0.423800 1.0079 0 - 11905 H2O 3297 H2O O1 4 -0.847600 15.9994 0 - 11906 H2O 3297 H2O H1 3 0.423800 1.0079 0 - 11907 H2O 3297 H2O H2 3 0.423800 1.0079 0 - 11908 H2O 3298 H2O O1 4 -0.847600 15.9994 0 - 11909 H2O 3298 H2O H1 3 0.423800 1.0079 0 - 11910 H2O 3298 H2O H2 3 0.423800 1.0079 0 - 11911 H2O 3299 H2O O1 4 -0.847600 15.9994 0 - 11912 H2O 3299 H2O H1 3 0.423800 1.0079 0 - 11913 H2O 3299 H2O H2 3 0.423800 1.0079 0 - 11914 H2O 3300 H2O O1 4 -0.847600 15.9994 0 - 11915 H2O 3300 H2O H1 3 0.423800 1.0079 0 - 11916 H2O 3300 H2O H2 3 0.423800 1.0079 0 - 11917 H2O 3301 H2O O1 4 -0.847600 15.9994 0 - 11918 H2O 3301 H2O H1 3 0.423800 1.0079 0 - 11919 H2O 3301 H2O H2 3 0.423800 1.0079 0 - 11920 H2O 3302 H2O O1 4 -0.847600 15.9994 0 - 11921 H2O 3302 H2O H1 3 0.423800 1.0079 0 - 11922 H2O 3302 H2O H2 3 0.423800 1.0079 0 - 11923 H2O 3303 H2O O1 4 -0.847600 15.9994 0 - 11924 H2O 3303 H2O H1 3 0.423800 1.0079 0 - 11925 H2O 3303 H2O H2 3 0.423800 1.0079 0 - 11926 H2O 3304 H2O O1 4 -0.847600 15.9994 0 - 11927 H2O 3304 H2O H1 3 0.423800 1.0079 0 - 11928 H2O 3304 H2O H2 3 0.423800 1.0079 0 - 11929 H2O 3305 H2O O1 4 -0.847600 15.9994 0 - 11930 H2O 3305 H2O H1 3 0.423800 1.0079 0 - 11931 H2O 3305 H2O H2 3 0.423800 1.0079 0 - 11932 H2O 3306 H2O O1 4 -0.847600 15.9994 0 - 11933 H2O 3306 H2O H1 3 0.423800 1.0079 0 - 11934 H2O 3306 H2O H2 3 0.423800 1.0079 0 - 11935 H2O 3307 H2O O1 4 -0.847600 15.9994 0 - 11936 H2O 3307 H2O H1 3 0.423800 1.0079 0 - 11937 H2O 3307 H2O H2 3 0.423800 1.0079 0 - 11938 H2O 3308 H2O O1 4 -0.847600 15.9994 0 - 11939 H2O 3308 H2O H1 3 0.423800 1.0079 0 - 11940 H2O 3308 H2O H2 3 0.423800 1.0079 0 - 11941 H2O 3309 H2O O1 4 -0.847600 15.9994 0 - 11942 H2O 3309 H2O H1 3 0.423800 1.0079 0 - 11943 H2O 3309 H2O H2 3 0.423800 1.0079 0 - 11944 H2O 3310 H2O O1 4 -0.847600 15.9994 0 - 11945 H2O 3310 H2O H1 3 0.423800 1.0079 0 - 11946 H2O 3310 H2O H2 3 0.423800 1.0079 0 - 11947 H2O 3311 H2O O1 4 -0.847600 15.9994 0 - 11948 H2O 3311 H2O H1 3 0.423800 1.0079 0 - 11949 H2O 3311 H2O H2 3 0.423800 1.0079 0 - 11950 H2O 3312 H2O O1 4 -0.847600 15.9994 0 - 11951 H2O 3312 H2O H1 3 0.423800 1.0079 0 - 11952 H2O 3312 H2O H2 3 0.423800 1.0079 0 - 11953 H2O 3313 H2O O1 4 -0.847600 15.9994 0 - 11954 H2O 3313 H2O H1 3 0.423800 1.0079 0 - 11955 H2O 3313 H2O H2 3 0.423800 1.0079 0 - 11956 H2O 3314 H2O O1 4 -0.847600 15.9994 0 - 11957 H2O 3314 H2O H1 3 0.423800 1.0079 0 - 11958 H2O 3314 H2O H2 3 0.423800 1.0079 0 - 11959 H2O 3315 H2O O1 4 -0.847600 15.9994 0 - 11960 H2O 3315 H2O H1 3 0.423800 1.0079 0 - 11961 H2O 3315 H2O H2 3 0.423800 1.0079 0 - 11962 H2O 3316 H2O O1 4 -0.847600 15.9994 0 - 11963 H2O 3316 H2O H1 3 0.423800 1.0079 0 - 11964 H2O 3316 H2O H2 3 0.423800 1.0079 0 - 11965 H2O 3317 H2O O1 4 -0.847600 15.9994 0 - 11966 H2O 3317 H2O H1 3 0.423800 1.0079 0 - 11967 H2O 3317 H2O H2 3 0.423800 1.0079 0 - 11968 H2O 3318 H2O O1 4 -0.847600 15.9994 0 - 11969 H2O 3318 H2O H1 3 0.423800 1.0079 0 - 11970 H2O 3318 H2O H2 3 0.423800 1.0079 0 - 11971 H2O 3319 H2O O1 4 -0.847600 15.9994 0 - 11972 H2O 3319 H2O H1 3 0.423800 1.0079 0 - 11973 H2O 3319 H2O H2 3 0.423800 1.0079 0 - 11974 H2O 3320 H2O O1 4 -0.847600 15.9994 0 - 11975 H2O 3320 H2O H1 3 0.423800 1.0079 0 - 11976 H2O 3320 H2O H2 3 0.423800 1.0079 0 - 11977 H2O 3321 H2O O1 4 -0.847600 15.9994 0 - 11978 H2O 3321 H2O H1 3 0.423800 1.0079 0 - 11979 H2O 3321 H2O H2 3 0.423800 1.0079 0 - 11980 H2O 3322 H2O O1 4 -0.847600 15.9994 0 - 11981 H2O 3322 H2O H1 3 0.423800 1.0079 0 - 11982 H2O 3322 H2O H2 3 0.423800 1.0079 0 - 11983 H2O 3323 H2O O1 4 -0.847600 15.9994 0 - 11984 H2O 3323 H2O H1 3 0.423800 1.0079 0 - 11985 H2O 3323 H2O H2 3 0.423800 1.0079 0 - 11986 H2O 3324 H2O O1 4 -0.847600 15.9994 0 - 11987 H2O 3324 H2O H1 3 0.423800 1.0079 0 - 11988 H2O 3324 H2O H2 3 0.423800 1.0079 0 - 11989 H2O 3325 H2O O1 4 -0.847600 15.9994 0 - 11990 H2O 3325 H2O H1 3 0.423800 1.0079 0 - 11991 H2O 3325 H2O H2 3 0.423800 1.0079 0 - 11992 H2O 3326 H2O O1 4 -0.847600 15.9994 0 - 11993 H2O 3326 H2O H1 3 0.423800 1.0079 0 - 11994 H2O 3326 H2O H2 3 0.423800 1.0079 0 - 11995 H2O 3327 H2O O1 4 -0.847600 15.9994 0 - 11996 H2O 3327 H2O H1 3 0.423800 1.0079 0 - 11997 H2O 3327 H2O H2 3 0.423800 1.0079 0 - 11998 H2O 3328 H2O O1 4 -0.847600 15.9994 0 - 11999 H2O 3328 H2O H1 3 0.423800 1.0079 0 - 12000 H2O 3328 H2O H2 3 0.423800 1.0079 0 - 12001 H2O 3329 H2O O1 4 -0.847600 15.9994 0 - 12002 H2O 3329 H2O H1 3 0.423800 1.0079 0 - 12003 H2O 3329 H2O H2 3 0.423800 1.0079 0 - 12004 H2O 3330 H2O O1 4 -0.847600 15.9994 0 - 12005 H2O 3330 H2O H1 3 0.423800 1.0079 0 - 12006 H2O 3330 H2O H2 3 0.423800 1.0079 0 - 12007 H2O 3331 H2O O1 4 -0.847600 15.9994 0 - 12008 H2O 3331 H2O H1 3 0.423800 1.0079 0 - 12009 H2O 3331 H2O H2 3 0.423800 1.0079 0 - 12010 H2O 3332 H2O O1 4 -0.847600 15.9994 0 - 12011 H2O 3332 H2O H1 3 0.423800 1.0079 0 - 12012 H2O 3332 H2O H2 3 0.423800 1.0079 0 - 12013 H2O 3333 H2O O1 4 -0.847600 15.9994 0 - 12014 H2O 3333 H2O H1 3 0.423800 1.0079 0 - 12015 H2O 3333 H2O H2 3 0.423800 1.0079 0 - 12016 H2O 3334 H2O O1 4 -0.847600 15.9994 0 - 12017 H2O 3334 H2O H1 3 0.423800 1.0079 0 - 12018 H2O 3334 H2O H2 3 0.423800 1.0079 0 - 12019 H2O 3335 H2O O1 4 -0.847600 15.9994 0 - 12020 H2O 3335 H2O H1 3 0.423800 1.0079 0 - 12021 H2O 3335 H2O H2 3 0.423800 1.0079 0 - 12022 H2O 3336 H2O O1 4 -0.847600 15.9994 0 - 12023 H2O 3336 H2O H1 3 0.423800 1.0079 0 - 12024 H2O 3336 H2O H2 3 0.423800 1.0079 0 - 12025 H2O 3337 H2O O1 4 -0.847600 15.9994 0 - 12026 H2O 3337 H2O H1 3 0.423800 1.0079 0 - 12027 H2O 3337 H2O H2 3 0.423800 1.0079 0 - 12028 H2O 3338 H2O O1 4 -0.847600 15.9994 0 - 12029 H2O 3338 H2O H1 3 0.423800 1.0079 0 - 12030 H2O 3338 H2O H2 3 0.423800 1.0079 0 - 12031 H2O 3339 H2O O1 4 -0.847600 15.9994 0 - 12032 H2O 3339 H2O H1 3 0.423800 1.0079 0 - 12033 H2O 3339 H2O H2 3 0.423800 1.0079 0 - 12034 H2O 3340 H2O O1 4 -0.847600 15.9994 0 - 12035 H2O 3340 H2O H1 3 0.423800 1.0079 0 - 12036 H2O 3340 H2O H2 3 0.423800 1.0079 0 - 12037 H2O 3341 H2O O1 4 -0.847600 15.9994 0 - 12038 H2O 3341 H2O H1 3 0.423800 1.0079 0 - 12039 H2O 3341 H2O H2 3 0.423800 1.0079 0 - 12040 H2O 3342 H2O O1 4 -0.847600 15.9994 0 - 12041 H2O 3342 H2O H1 3 0.423800 1.0079 0 - 12042 H2O 3342 H2O H2 3 0.423800 1.0079 0 - 12043 H2O 3343 H2O O1 4 -0.847600 15.9994 0 - 12044 H2O 3343 H2O H1 3 0.423800 1.0079 0 - 12045 H2O 3343 H2O H2 3 0.423800 1.0079 0 - 12046 H2O 3344 H2O O1 4 -0.847600 15.9994 0 - 12047 H2O 3344 H2O H1 3 0.423800 1.0079 0 - 12048 H2O 3344 H2O H2 3 0.423800 1.0079 0 - 12049 H2O 3345 H2O O1 4 -0.847600 15.9994 0 - 12050 H2O 3345 H2O H1 3 0.423800 1.0079 0 - 12051 H2O 3345 H2O H2 3 0.423800 1.0079 0 - 12052 H2O 3346 H2O O1 4 -0.847600 15.9994 0 - 12053 H2O 3346 H2O H1 3 0.423800 1.0079 0 - 12054 H2O 3346 H2O H2 3 0.423800 1.0079 0 - 12055 H2O 3347 H2O O1 4 -0.847600 15.9994 0 - 12056 H2O 3347 H2O H1 3 0.423800 1.0079 0 - 12057 H2O 3347 H2O H2 3 0.423800 1.0079 0 - 12058 H2O 3348 H2O O1 4 -0.847600 15.9994 0 - 12059 H2O 3348 H2O H1 3 0.423800 1.0079 0 - 12060 H2O 3348 H2O H2 3 0.423800 1.0079 0 - 12061 H2O 3349 H2O O1 4 -0.847600 15.9994 0 - 12062 H2O 3349 H2O H1 3 0.423800 1.0079 0 - 12063 H2O 3349 H2O H2 3 0.423800 1.0079 0 - 12064 H2O 3350 H2O O1 4 -0.847600 15.9994 0 - 12065 H2O 3350 H2O H1 3 0.423800 1.0079 0 - 12066 H2O 3350 H2O H2 3 0.423800 1.0079 0 - 12067 H2O 3351 H2O O1 4 -0.847600 15.9994 0 - 12068 H2O 3351 H2O H1 3 0.423800 1.0079 0 - 12069 H2O 3351 H2O H2 3 0.423800 1.0079 0 - 12070 H2O 3352 H2O O1 4 -0.847600 15.9994 0 - 12071 H2O 3352 H2O H1 3 0.423800 1.0079 0 - 12072 H2O 3352 H2O H2 3 0.423800 1.0079 0 - 12073 H2O 3353 H2O O1 4 -0.847600 15.9994 0 - 12074 H2O 3353 H2O H1 3 0.423800 1.0079 0 - 12075 H2O 3353 H2O H2 3 0.423800 1.0079 0 - 12076 H2O 3354 H2O O1 4 -0.847600 15.9994 0 - 12077 H2O 3354 H2O H1 3 0.423800 1.0079 0 - 12078 H2O 3354 H2O H2 3 0.423800 1.0079 0 - 12079 H2O 3355 H2O O1 4 -0.847600 15.9994 0 - 12080 H2O 3355 H2O H1 3 0.423800 1.0079 0 - 12081 H2O 3355 H2O H2 3 0.423800 1.0079 0 - 12082 H2O 3356 H2O O1 4 -0.847600 15.9994 0 - 12083 H2O 3356 H2O H1 3 0.423800 1.0079 0 - 12084 H2O 3356 H2O H2 3 0.423800 1.0079 0 - 12085 H2O 3357 H2O O1 4 -0.847600 15.9994 0 - 12086 H2O 3357 H2O H1 3 0.423800 1.0079 0 - 12087 H2O 3357 H2O H2 3 0.423800 1.0079 0 - 12088 H2O 3358 H2O O1 4 -0.847600 15.9994 0 - 12089 H2O 3358 H2O H1 3 0.423800 1.0079 0 - 12090 H2O 3358 H2O H2 3 0.423800 1.0079 0 - 12091 H2O 3359 H2O O1 4 -0.847600 15.9994 0 - 12092 H2O 3359 H2O H1 3 0.423800 1.0079 0 - 12093 H2O 3359 H2O H2 3 0.423800 1.0079 0 - 12094 H2O 3360 H2O O1 4 -0.847600 15.9994 0 - 12095 H2O 3360 H2O H1 3 0.423800 1.0079 0 - 12096 H2O 3360 H2O H2 3 0.423800 1.0079 0 - 12097 H2O 3361 H2O O1 4 -0.847600 15.9994 0 - 12098 H2O 3361 H2O H1 3 0.423800 1.0079 0 - 12099 H2O 3361 H2O H2 3 0.423800 1.0079 0 - 12100 H2O 3362 H2O O1 4 -0.847600 15.9994 0 - 12101 H2O 3362 H2O H1 3 0.423800 1.0079 0 - 12102 H2O 3362 H2O H2 3 0.423800 1.0079 0 - 12103 H2O 3363 H2O O1 4 -0.847600 15.9994 0 - 12104 H2O 3363 H2O H1 3 0.423800 1.0079 0 - 12105 H2O 3363 H2O H2 3 0.423800 1.0079 0 - 12106 H2O 3364 H2O O1 4 -0.847600 15.9994 0 - 12107 H2O 3364 H2O H1 3 0.423800 1.0079 0 - 12108 H2O 3364 H2O H2 3 0.423800 1.0079 0 - 12109 H2O 3365 H2O O1 4 -0.847600 15.9994 0 - 12110 H2O 3365 H2O H1 3 0.423800 1.0079 0 - 12111 H2O 3365 H2O H2 3 0.423800 1.0079 0 - 12112 H2O 3366 H2O O1 4 -0.847600 15.9994 0 - 12113 H2O 3366 H2O H1 3 0.423800 1.0079 0 - 12114 H2O 3366 H2O H2 3 0.423800 1.0079 0 - 12115 H2O 3367 H2O O1 4 -0.847600 15.9994 0 - 12116 H2O 3367 H2O H1 3 0.423800 1.0079 0 - 12117 H2O 3367 H2O H2 3 0.423800 1.0079 0 - 12118 H2O 3368 H2O O1 4 -0.847600 15.9994 0 - 12119 H2O 3368 H2O H1 3 0.423800 1.0079 0 - 12120 H2O 3368 H2O H2 3 0.423800 1.0079 0 - 12121 H2O 3369 H2O O1 4 -0.847600 15.9994 0 - 12122 H2O 3369 H2O H1 3 0.423800 1.0079 0 - 12123 H2O 3369 H2O H2 3 0.423800 1.0079 0 - 12124 H2O 3370 H2O O1 4 -0.847600 15.9994 0 - 12125 H2O 3370 H2O H1 3 0.423800 1.0079 0 - 12126 H2O 3370 H2O H2 3 0.423800 1.0079 0 - 12127 H2O 3371 H2O O1 4 -0.847600 15.9994 0 - 12128 H2O 3371 H2O H1 3 0.423800 1.0079 0 - 12129 H2O 3371 H2O H2 3 0.423800 1.0079 0 - 12130 H2O 3372 H2O O1 4 -0.847600 15.9994 0 - 12131 H2O 3372 H2O H1 3 0.423800 1.0079 0 - 12132 H2O 3372 H2O H2 3 0.423800 1.0079 0 - 12133 H2O 3373 H2O O1 4 -0.847600 15.9994 0 - 12134 H2O 3373 H2O H1 3 0.423800 1.0079 0 - 12135 H2O 3373 H2O H2 3 0.423800 1.0079 0 - 12136 H2O 3374 H2O O1 4 -0.847600 15.9994 0 - 12137 H2O 3374 H2O H1 3 0.423800 1.0079 0 - 12138 H2O 3374 H2O H2 3 0.423800 1.0079 0 - 12139 H2O 3375 H2O O1 4 -0.847600 15.9994 0 - 12140 H2O 3375 H2O H1 3 0.423800 1.0079 0 - 12141 H2O 3375 H2O H2 3 0.423800 1.0079 0 - 12142 H2O 3376 H2O O1 4 -0.847600 15.9994 0 - 12143 H2O 3376 H2O H1 3 0.423800 1.0079 0 - 12144 H2O 3376 H2O H2 3 0.423800 1.0079 0 - 12145 H2O 3377 H2O O1 4 -0.847600 15.9994 0 - 12146 H2O 3377 H2O H1 3 0.423800 1.0079 0 - 12147 H2O 3377 H2O H2 3 0.423800 1.0079 0 - 12148 H2O 3378 H2O O1 4 -0.847600 15.9994 0 - 12149 H2O 3378 H2O H1 3 0.423800 1.0079 0 - 12150 H2O 3378 H2O H2 3 0.423800 1.0079 0 - 12151 H2O 3379 H2O O1 4 -0.847600 15.9994 0 - 12152 H2O 3379 H2O H1 3 0.423800 1.0079 0 - 12153 H2O 3379 H2O H2 3 0.423800 1.0079 0 - 12154 H2O 3380 H2O O1 4 -0.847600 15.9994 0 - 12155 H2O 3380 H2O H1 3 0.423800 1.0079 0 - 12156 H2O 3380 H2O H2 3 0.423800 1.0079 0 - 12157 H2O 3381 H2O O1 4 -0.847600 15.9994 0 - 12158 H2O 3381 H2O H1 3 0.423800 1.0079 0 - 12159 H2O 3381 H2O H2 3 0.423800 1.0079 0 - 12160 H2O 3382 H2O O1 4 -0.847600 15.9994 0 - 12161 H2O 3382 H2O H1 3 0.423800 1.0079 0 - 12162 H2O 3382 H2O H2 3 0.423800 1.0079 0 - 12163 H2O 3383 H2O O1 4 -0.847600 15.9994 0 - 12164 H2O 3383 H2O H1 3 0.423800 1.0079 0 - 12165 H2O 3383 H2O H2 3 0.423800 1.0079 0 - 12166 H2O 3384 H2O O1 4 -0.847600 15.9994 0 - 12167 H2O 3384 H2O H1 3 0.423800 1.0079 0 - 12168 H2O 3384 H2O H2 3 0.423800 1.0079 0 - 12169 H2O 3385 H2O O1 4 -0.847600 15.9994 0 - 12170 H2O 3385 H2O H1 3 0.423800 1.0079 0 - 12171 H2O 3385 H2O H2 3 0.423800 1.0079 0 - 12172 H2O 3386 H2O O1 4 -0.847600 15.9994 0 - 12173 H2O 3386 H2O H1 3 0.423800 1.0079 0 - 12174 H2O 3386 H2O H2 3 0.423800 1.0079 0 - 12175 H2O 3387 H2O O1 4 -0.847600 15.9994 0 - 12176 H2O 3387 H2O H1 3 0.423800 1.0079 0 - 12177 H2O 3387 H2O H2 3 0.423800 1.0079 0 - 12178 H2O 3388 H2O O1 4 -0.847600 15.9994 0 - 12179 H2O 3388 H2O H1 3 0.423800 1.0079 0 - 12180 H2O 3388 H2O H2 3 0.423800 1.0079 0 - 12181 H2O 3389 H2O O1 4 -0.847600 15.9994 0 - 12182 H2O 3389 H2O H1 3 0.423800 1.0079 0 - 12183 H2O 3389 H2O H2 3 0.423800 1.0079 0 - 12184 H2O 3390 H2O O1 4 -0.847600 15.9994 0 - 12185 H2O 3390 H2O H1 3 0.423800 1.0079 0 - 12186 H2O 3390 H2O H2 3 0.423800 1.0079 0 - 12187 H2O 3391 H2O O1 4 -0.847600 15.9994 0 - 12188 H2O 3391 H2O H1 3 0.423800 1.0079 0 - 12189 H2O 3391 H2O H2 3 0.423800 1.0079 0 - 12190 H2O 3392 H2O O1 4 -0.847600 15.9994 0 - 12191 H2O 3392 H2O H1 3 0.423800 1.0079 0 - 12192 H2O 3392 H2O H2 3 0.423800 1.0079 0 - 12193 H2O 3393 H2O O1 4 -0.847600 15.9994 0 - 12194 H2O 3393 H2O H1 3 0.423800 1.0079 0 - 12195 H2O 3393 H2O H2 3 0.423800 1.0079 0 - 12196 H2O 3394 H2O O1 4 -0.847600 15.9994 0 - 12197 H2O 3394 H2O H1 3 0.423800 1.0079 0 - 12198 H2O 3394 H2O H2 3 0.423800 1.0079 0 - 12199 H2O 3395 H2O O1 4 -0.847600 15.9994 0 - 12200 H2O 3395 H2O H1 3 0.423800 1.0079 0 - 12201 H2O 3395 H2O H2 3 0.423800 1.0079 0 - 12202 H2O 3396 H2O O1 4 -0.847600 15.9994 0 - 12203 H2O 3396 H2O H1 3 0.423800 1.0079 0 - 12204 H2O 3396 H2O H2 3 0.423800 1.0079 0 - 12205 H2O 3397 H2O O1 4 -0.847600 15.9994 0 - 12206 H2O 3397 H2O H1 3 0.423800 1.0079 0 - 12207 H2O 3397 H2O H2 3 0.423800 1.0079 0 - 12208 H2O 3398 H2O O1 4 -0.847600 15.9994 0 - 12209 H2O 3398 H2O H1 3 0.423800 1.0079 0 - 12210 H2O 3398 H2O H2 3 0.423800 1.0079 0 - 12211 H2O 3399 H2O O1 4 -0.847600 15.9994 0 - 12212 H2O 3399 H2O H1 3 0.423800 1.0079 0 - 12213 H2O 3399 H2O H2 3 0.423800 1.0079 0 - 12214 H2O 3400 H2O O1 4 -0.847600 15.9994 0 - 12215 H2O 3400 H2O H1 3 0.423800 1.0079 0 - 12216 H2O 3400 H2O H2 3 0.423800 1.0079 0 - 12217 H2O 3401 H2O O1 4 -0.847600 15.9994 0 - 12218 H2O 3401 H2O H1 3 0.423800 1.0079 0 - 12219 H2O 3401 H2O H2 3 0.423800 1.0079 0 - 12220 H2O 3402 H2O O1 4 -0.847600 15.9994 0 - 12221 H2O 3402 H2O H1 3 0.423800 1.0079 0 - 12222 H2O 3402 H2O H2 3 0.423800 1.0079 0 - 12223 H2O 3403 H2O O1 4 -0.847600 15.9994 0 - 12224 H2O 3403 H2O H1 3 0.423800 1.0079 0 - 12225 H2O 3403 H2O H2 3 0.423800 1.0079 0 - 12226 H2O 3404 H2O O1 4 -0.847600 15.9994 0 - 12227 H2O 3404 H2O H1 3 0.423800 1.0079 0 - 12228 H2O 3404 H2O H2 3 0.423800 1.0079 0 - 12229 H2O 3405 H2O O1 4 -0.847600 15.9994 0 - 12230 H2O 3405 H2O H1 3 0.423800 1.0079 0 - 12231 H2O 3405 H2O H2 3 0.423800 1.0079 0 - 12232 H2O 3406 H2O O1 4 -0.847600 15.9994 0 - 12233 H2O 3406 H2O H1 3 0.423800 1.0079 0 - 12234 H2O 3406 H2O H2 3 0.423800 1.0079 0 - 12235 H2O 3407 H2O O1 4 -0.847600 15.9994 0 - 12236 H2O 3407 H2O H1 3 0.423800 1.0079 0 - 12237 H2O 3407 H2O H2 3 0.423800 1.0079 0 - 12238 H2O 3408 H2O O1 4 -0.847600 15.9994 0 - 12239 H2O 3408 H2O H1 3 0.423800 1.0079 0 - 12240 H2O 3408 H2O H2 3 0.423800 1.0079 0 - 12241 H2O 3409 H2O O1 4 -0.847600 15.9994 0 - 12242 H2O 3409 H2O H1 3 0.423800 1.0079 0 - 12243 H2O 3409 H2O H2 3 0.423800 1.0079 0 - 12244 H2O 3410 H2O O1 4 -0.847600 15.9994 0 - 12245 H2O 3410 H2O H1 3 0.423800 1.0079 0 - 12246 H2O 3410 H2O H2 3 0.423800 1.0079 0 - 12247 H2O 3411 H2O O1 4 -0.847600 15.9994 0 - 12248 H2O 3411 H2O H1 3 0.423800 1.0079 0 - 12249 H2O 3411 H2O H2 3 0.423800 1.0079 0 - 12250 H2O 3412 H2O O1 4 -0.847600 15.9994 0 - 12251 H2O 3412 H2O H1 3 0.423800 1.0079 0 - 12252 H2O 3412 H2O H2 3 0.423800 1.0079 0 - 12253 H2O 3413 H2O O1 4 -0.847600 15.9994 0 - 12254 H2O 3413 H2O H1 3 0.423800 1.0079 0 - 12255 H2O 3413 H2O H2 3 0.423800 1.0079 0 - 12256 H2O 3414 H2O O1 4 -0.847600 15.9994 0 - 12257 H2O 3414 H2O H1 3 0.423800 1.0079 0 - 12258 H2O 3414 H2O H2 3 0.423800 1.0079 0 - 12259 H2O 3415 H2O O1 4 -0.847600 15.9994 0 - 12260 H2O 3415 H2O H1 3 0.423800 1.0079 0 - 12261 H2O 3415 H2O H2 3 0.423800 1.0079 0 - 12262 H2O 3416 H2O O1 4 -0.847600 15.9994 0 - 12263 H2O 3416 H2O H1 3 0.423800 1.0079 0 - 12264 H2O 3416 H2O H2 3 0.423800 1.0079 0 - 12265 H2O 3417 H2O O1 4 -0.847600 15.9994 0 - 12266 H2O 3417 H2O H1 3 0.423800 1.0079 0 - 12267 H2O 3417 H2O H2 3 0.423800 1.0079 0 - 12268 H2O 3418 H2O O1 4 -0.847600 15.9994 0 - 12269 H2O 3418 H2O H1 3 0.423800 1.0079 0 - 12270 H2O 3418 H2O H2 3 0.423800 1.0079 0 - 12271 H2O 3419 H2O O1 4 -0.847600 15.9994 0 - 12272 H2O 3419 H2O H1 3 0.423800 1.0079 0 - 12273 H2O 3419 H2O H2 3 0.423800 1.0079 0 - 12274 H2O 3420 H2O O1 4 -0.847600 15.9994 0 - 12275 H2O 3420 H2O H1 3 0.423800 1.0079 0 - 12276 H2O 3420 H2O H2 3 0.423800 1.0079 0 - 12277 H2O 3421 H2O O1 4 -0.847600 15.9994 0 - 12278 H2O 3421 H2O H1 3 0.423800 1.0079 0 - 12279 H2O 3421 H2O H2 3 0.423800 1.0079 0 - 12280 H2O 3422 H2O O1 4 -0.847600 15.9994 0 - 12281 H2O 3422 H2O H1 3 0.423800 1.0079 0 - 12282 H2O 3422 H2O H2 3 0.423800 1.0079 0 - 12283 H2O 3423 H2O O1 4 -0.847600 15.9994 0 - 12284 H2O 3423 H2O H1 3 0.423800 1.0079 0 - 12285 H2O 3423 H2O H2 3 0.423800 1.0079 0 - 12286 H2O 3424 H2O O1 4 -0.847600 15.9994 0 - 12287 H2O 3424 H2O H1 3 0.423800 1.0079 0 - 12288 H2O 3424 H2O H2 3 0.423800 1.0079 0 - 12289 H2O 3425 H2O O1 4 -0.847600 15.9994 0 - 12290 H2O 3425 H2O H1 3 0.423800 1.0079 0 - 12291 H2O 3425 H2O H2 3 0.423800 1.0079 0 - 12292 H2O 3426 H2O O1 4 -0.847600 15.9994 0 - 12293 H2O 3426 H2O H1 3 0.423800 1.0079 0 - 12294 H2O 3426 H2O H2 3 0.423800 1.0079 0 - 12295 H2O 3427 H2O O1 4 -0.847600 15.9994 0 - 12296 H2O 3427 H2O H1 3 0.423800 1.0079 0 - 12297 H2O 3427 H2O H2 3 0.423800 1.0079 0 - 12298 H2O 3428 H2O O1 4 -0.847600 15.9994 0 - 12299 H2O 3428 H2O H1 3 0.423800 1.0079 0 - 12300 H2O 3428 H2O H2 3 0.423800 1.0079 0 - 12301 H2O 3429 H2O O1 4 -0.847600 15.9994 0 - 12302 H2O 3429 H2O H1 3 0.423800 1.0079 0 - 12303 H2O 3429 H2O H2 3 0.423800 1.0079 0 - 12304 H2O 3430 H2O O1 4 -0.847600 15.9994 0 - 12305 H2O 3430 H2O H1 3 0.423800 1.0079 0 - 12306 H2O 3430 H2O H2 3 0.423800 1.0079 0 - 12307 H2O 3431 H2O O1 4 -0.847600 15.9994 0 - 12308 H2O 3431 H2O H1 3 0.423800 1.0079 0 - 12309 H2O 3431 H2O H2 3 0.423800 1.0079 0 - 12310 H2O 3432 H2O O1 4 -0.847600 15.9994 0 - 12311 H2O 3432 H2O H1 3 0.423800 1.0079 0 - 12312 H2O 3432 H2O H2 3 0.423800 1.0079 0 - 12313 H2O 3433 H2O O1 4 -0.847600 15.9994 0 - 12314 H2O 3433 H2O H1 3 0.423800 1.0079 0 - 12315 H2O 3433 H2O H2 3 0.423800 1.0079 0 - 12316 H2O 3434 H2O O1 4 -0.847600 15.9994 0 - 12317 H2O 3434 H2O H1 3 0.423800 1.0079 0 - 12318 H2O 3434 H2O H2 3 0.423800 1.0079 0 - 12319 H2O 3435 H2O O1 4 -0.847600 15.9994 0 - 12320 H2O 3435 H2O H1 3 0.423800 1.0079 0 - 12321 H2O 3435 H2O H2 3 0.423800 1.0079 0 - 12322 H2O 3436 H2O O1 4 -0.847600 15.9994 0 - 12323 H2O 3436 H2O H1 3 0.423800 1.0079 0 - 12324 H2O 3436 H2O H2 3 0.423800 1.0079 0 - 12325 H2O 3437 H2O O1 4 -0.847600 15.9994 0 - 12326 H2O 3437 H2O H1 3 0.423800 1.0079 0 - 12327 H2O 3437 H2O H2 3 0.423800 1.0079 0 - 12328 H2O 3438 H2O O1 4 -0.847600 15.9994 0 - 12329 H2O 3438 H2O H1 3 0.423800 1.0079 0 - 12330 H2O 3438 H2O H2 3 0.423800 1.0079 0 - 12331 H2O 3439 H2O O1 4 -0.847600 15.9994 0 - 12332 H2O 3439 H2O H1 3 0.423800 1.0079 0 - 12333 H2O 3439 H2O H2 3 0.423800 1.0079 0 - 12334 H2O 3440 H2O O1 4 -0.847600 15.9994 0 - 12335 H2O 3440 H2O H1 3 0.423800 1.0079 0 - 12336 H2O 3440 H2O H2 3 0.423800 1.0079 0 - 12337 H2O 3441 H2O O1 4 -0.847600 15.9994 0 - 12338 H2O 3441 H2O H1 3 0.423800 1.0079 0 - 12339 H2O 3441 H2O H2 3 0.423800 1.0079 0 - 12340 H2O 3442 H2O O1 4 -0.847600 15.9994 0 - 12341 H2O 3442 H2O H1 3 0.423800 1.0079 0 - 12342 H2O 3442 H2O H2 3 0.423800 1.0079 0 - 12343 H2O 3443 H2O O1 4 -0.847600 15.9994 0 - 12344 H2O 3443 H2O H1 3 0.423800 1.0079 0 - 12345 H2O 3443 H2O H2 3 0.423800 1.0079 0 - 12346 H2O 3444 H2O O1 4 -0.847600 15.9994 0 - 12347 H2O 3444 H2O H1 3 0.423800 1.0079 0 - 12348 H2O 3444 H2O H2 3 0.423800 1.0079 0 - 12349 H2O 3445 H2O O1 4 -0.847600 15.9994 0 - 12350 H2O 3445 H2O H1 3 0.423800 1.0079 0 - 12351 H2O 3445 H2O H2 3 0.423800 1.0079 0 - 12352 H2O 3446 H2O O1 4 -0.847600 15.9994 0 - 12353 H2O 3446 H2O H1 3 0.423800 1.0079 0 - 12354 H2O 3446 H2O H2 3 0.423800 1.0079 0 - 12355 H2O 3447 H2O O1 4 -0.847600 15.9994 0 - 12356 H2O 3447 H2O H1 3 0.423800 1.0079 0 - 12357 H2O 3447 H2O H2 3 0.423800 1.0079 0 - 12358 H2O 3448 H2O O1 4 -0.847600 15.9994 0 - 12359 H2O 3448 H2O H1 3 0.423800 1.0079 0 - 12360 H2O 3448 H2O H2 3 0.423800 1.0079 0 - 12361 H2O 3449 H2O O1 4 -0.847600 15.9994 0 - 12362 H2O 3449 H2O H1 3 0.423800 1.0079 0 - 12363 H2O 3449 H2O H2 3 0.423800 1.0079 0 - 12364 H2O 3450 H2O O1 4 -0.847600 15.9994 0 - 12365 H2O 3450 H2O H1 3 0.423800 1.0079 0 - 12366 H2O 3450 H2O H2 3 0.423800 1.0079 0 - 12367 H2O 3451 H2O O1 4 -0.847600 15.9994 0 - 12368 H2O 3451 H2O H1 3 0.423800 1.0079 0 - 12369 H2O 3451 H2O H2 3 0.423800 1.0079 0 - 12370 H2O 3452 H2O O1 4 -0.847600 15.9994 0 - 12371 H2O 3452 H2O H1 3 0.423800 1.0079 0 - 12372 H2O 3452 H2O H2 3 0.423800 1.0079 0 - 12373 H2O 3453 H2O O1 4 -0.847600 15.9994 0 - 12374 H2O 3453 H2O H1 3 0.423800 1.0079 0 - 12375 H2O 3453 H2O H2 3 0.423800 1.0079 0 - 12376 H2O 3454 H2O O1 4 -0.847600 15.9994 0 - 12377 H2O 3454 H2O H1 3 0.423800 1.0079 0 - 12378 H2O 3454 H2O H2 3 0.423800 1.0079 0 - 12379 H2O 3455 H2O O1 4 -0.847600 15.9994 0 - 12380 H2O 3455 H2O H1 3 0.423800 1.0079 0 - 12381 H2O 3455 H2O H2 3 0.423800 1.0079 0 - 12382 H2O 3456 H2O O1 4 -0.847600 15.9994 0 - 12383 H2O 3456 H2O H1 3 0.423800 1.0079 0 - 12384 H2O 3456 H2O H2 3 0.423800 1.0079 0 - 12385 H2O 3457 H2O O1 4 -0.847600 15.9994 0 - 12386 H2O 3457 H2O H1 3 0.423800 1.0079 0 - 12387 H2O 3457 H2O H2 3 0.423800 1.0079 0 - 12388 H2O 3458 H2O O1 4 -0.847600 15.9994 0 - 12389 H2O 3458 H2O H1 3 0.423800 1.0079 0 - 12390 H2O 3458 H2O H2 3 0.423800 1.0079 0 - 12391 H2O 3459 H2O O1 4 -0.847600 15.9994 0 - 12392 H2O 3459 H2O H1 3 0.423800 1.0079 0 - 12393 H2O 3459 H2O H2 3 0.423800 1.0079 0 - 12394 H2O 3460 H2O O1 4 -0.847600 15.9994 0 - 12395 H2O 3460 H2O H1 3 0.423800 1.0079 0 - 12396 H2O 3460 H2O H2 3 0.423800 1.0079 0 - 12397 H2O 3461 H2O O1 4 -0.847600 15.9994 0 - 12398 H2O 3461 H2O H1 3 0.423800 1.0079 0 - 12399 H2O 3461 H2O H2 3 0.423800 1.0079 0 - 12400 H2O 3462 H2O O1 4 -0.847600 15.9994 0 - 12401 H2O 3462 H2O H1 3 0.423800 1.0079 0 - 12402 H2O 3462 H2O H2 3 0.423800 1.0079 0 - 12403 H2O 3463 H2O O1 4 -0.847600 15.9994 0 - 12404 H2O 3463 H2O H1 3 0.423800 1.0079 0 - 12405 H2O 3463 H2O H2 3 0.423800 1.0079 0 - 12406 H2O 3464 H2O O1 4 -0.847600 15.9994 0 - 12407 H2O 3464 H2O H1 3 0.423800 1.0079 0 - 12408 H2O 3464 H2O H2 3 0.423800 1.0079 0 - 12409 H2O 3465 H2O O1 4 -0.847600 15.9994 0 - 12410 H2O 3465 H2O H1 3 0.423800 1.0079 0 - 12411 H2O 3465 H2O H2 3 0.423800 1.0079 0 - 12412 H2O 3466 H2O O1 4 -0.847600 15.9994 0 - 12413 H2O 3466 H2O H1 3 0.423800 1.0079 0 - 12414 H2O 3466 H2O H2 3 0.423800 1.0079 0 - 12415 H2O 3467 H2O O1 4 -0.847600 15.9994 0 - 12416 H2O 3467 H2O H1 3 0.423800 1.0079 0 - 12417 H2O 3467 H2O H2 3 0.423800 1.0079 0 - 12418 H2O 3468 H2O O1 4 -0.847600 15.9994 0 - 12419 H2O 3468 H2O H1 3 0.423800 1.0079 0 - 12420 H2O 3468 H2O H2 3 0.423800 1.0079 0 - 12421 H2O 3469 H2O O1 4 -0.847600 15.9994 0 - 12422 H2O 3469 H2O H1 3 0.423800 1.0079 0 - 12423 H2O 3469 H2O H2 3 0.423800 1.0079 0 - 12424 H2O 3470 H2O O1 4 -0.847600 15.9994 0 - 12425 H2O 3470 H2O H1 3 0.423800 1.0079 0 - 12426 H2O 3470 H2O H2 3 0.423800 1.0079 0 - 12427 H2O 3471 H2O O1 4 -0.847600 15.9994 0 - 12428 H2O 3471 H2O H1 3 0.423800 1.0079 0 - 12429 H2O 3471 H2O H2 3 0.423800 1.0079 0 - 12430 H2O 3472 H2O O1 4 -0.847600 15.9994 0 - 12431 H2O 3472 H2O H1 3 0.423800 1.0079 0 - 12432 H2O 3472 H2O H2 3 0.423800 1.0079 0 - 12433 H2O 3473 H2O O1 4 -0.847600 15.9994 0 - 12434 H2O 3473 H2O H1 3 0.423800 1.0079 0 - 12435 H2O 3473 H2O H2 3 0.423800 1.0079 0 - 12436 H2O 3474 H2O O1 4 -0.847600 15.9994 0 - 12437 H2O 3474 H2O H1 3 0.423800 1.0079 0 - 12438 H2O 3474 H2O H2 3 0.423800 1.0079 0 - 12439 H2O 3475 H2O O1 4 -0.847600 15.9994 0 - 12440 H2O 3475 H2O H1 3 0.423800 1.0079 0 - 12441 H2O 3475 H2O H2 3 0.423800 1.0079 0 - 12442 H2O 3476 H2O O1 4 -0.847600 15.9994 0 - 12443 H2O 3476 H2O H1 3 0.423800 1.0079 0 - 12444 H2O 3476 H2O H2 3 0.423800 1.0079 0 - 12445 H2O 3477 H2O O1 4 -0.847600 15.9994 0 - 12446 H2O 3477 H2O H1 3 0.423800 1.0079 0 - 12447 H2O 3477 H2O H2 3 0.423800 1.0079 0 - 12448 H2O 3478 H2O O1 4 -0.847600 15.9994 0 - 12449 H2O 3478 H2O H1 3 0.423800 1.0079 0 - 12450 H2O 3478 H2O H2 3 0.423800 1.0079 0 - 12451 H2O 3479 H2O O1 4 -0.847600 15.9994 0 - 12452 H2O 3479 H2O H1 3 0.423800 1.0079 0 - 12453 H2O 3479 H2O H2 3 0.423800 1.0079 0 - 12454 H2O 3480 H2O O1 4 -0.847600 15.9994 0 - 12455 H2O 3480 H2O H1 3 0.423800 1.0079 0 - 12456 H2O 3480 H2O H2 3 0.423800 1.0079 0 - 12457 H2O 3481 H2O O1 4 -0.847600 15.9994 0 - 12458 H2O 3481 H2O H1 3 0.423800 1.0079 0 - 12459 H2O 3481 H2O H2 3 0.423800 1.0079 0 - 12460 H2O 3482 H2O O1 4 -0.847600 15.9994 0 - 12461 H2O 3482 H2O H1 3 0.423800 1.0079 0 - 12462 H2O 3482 H2O H2 3 0.423800 1.0079 0 - 12463 H2O 3483 H2O O1 4 -0.847600 15.9994 0 - 12464 H2O 3483 H2O H1 3 0.423800 1.0079 0 - 12465 H2O 3483 H2O H2 3 0.423800 1.0079 0 - 12466 H2O 3484 H2O O1 4 -0.847600 15.9994 0 - 12467 H2O 3484 H2O H1 3 0.423800 1.0079 0 - 12468 H2O 3484 H2O H2 3 0.423800 1.0079 0 - 12469 H2O 3485 H2O O1 4 -0.847600 15.9994 0 - 12470 H2O 3485 H2O H1 3 0.423800 1.0079 0 - 12471 H2O 3485 H2O H2 3 0.423800 1.0079 0 - 12472 H2O 3486 H2O O1 4 -0.847600 15.9994 0 - 12473 H2O 3486 H2O H1 3 0.423800 1.0079 0 - 12474 H2O 3486 H2O H2 3 0.423800 1.0079 0 - 12475 H2O 3487 H2O O1 4 -0.847600 15.9994 0 - 12476 H2O 3487 H2O H1 3 0.423800 1.0079 0 - 12477 H2O 3487 H2O H2 3 0.423800 1.0079 0 - 12478 H2O 3488 H2O O1 4 -0.847600 15.9994 0 - 12479 H2O 3488 H2O H1 3 0.423800 1.0079 0 - 12480 H2O 3488 H2O H2 3 0.423800 1.0079 0 - 12481 H2O 3489 H2O O1 4 -0.847600 15.9994 0 - 12482 H2O 3489 H2O H1 3 0.423800 1.0079 0 - 12483 H2O 3489 H2O H2 3 0.423800 1.0079 0 - 12484 H2O 3490 H2O O1 4 -0.847600 15.9994 0 - 12485 H2O 3490 H2O H1 3 0.423800 1.0079 0 - 12486 H2O 3490 H2O H2 3 0.423800 1.0079 0 - 12487 H2O 3491 H2O O1 4 -0.847600 15.9994 0 - 12488 H2O 3491 H2O H1 3 0.423800 1.0079 0 - 12489 H2O 3491 H2O H2 3 0.423800 1.0079 0 - 12490 H2O 3492 H2O O1 4 -0.847600 15.9994 0 - 12491 H2O 3492 H2O H1 3 0.423800 1.0079 0 - 12492 H2O 3492 H2O H2 3 0.423800 1.0079 0 - 12493 H2O 3493 H2O O1 4 -0.847600 15.9994 0 - 12494 H2O 3493 H2O H1 3 0.423800 1.0079 0 - 12495 H2O 3493 H2O H2 3 0.423800 1.0079 0 - 12496 H2O 3494 H2O O1 4 -0.847600 15.9994 0 - 12497 H2O 3494 H2O H1 3 0.423800 1.0079 0 - 12498 H2O 3494 H2O H2 3 0.423800 1.0079 0 - 12499 H2O 3495 H2O O1 4 -0.847600 15.9994 0 - 12500 H2O 3495 H2O H1 3 0.423800 1.0079 0 - 12501 H2O 3495 H2O H2 3 0.423800 1.0079 0 - 12502 H2O 3496 H2O O1 4 -0.847600 15.9994 0 - 12503 H2O 3496 H2O H1 3 0.423800 1.0079 0 - 12504 H2O 3496 H2O H2 3 0.423800 1.0079 0 - 12505 H2O 3497 H2O O1 4 -0.847600 15.9994 0 - 12506 H2O 3497 H2O H1 3 0.423800 1.0079 0 - 12507 H2O 3497 H2O H2 3 0.423800 1.0079 0 - 12508 H2O 3498 H2O O1 4 -0.847600 15.9994 0 - 12509 H2O 3498 H2O H1 3 0.423800 1.0079 0 - 12510 H2O 3498 H2O H2 3 0.423800 1.0079 0 - 12511 H2O 3499 H2O O1 4 -0.847600 15.9994 0 - 12512 H2O 3499 H2O H1 3 0.423800 1.0079 0 - 12513 H2O 3499 H2O H2 3 0.423800 1.0079 0 - 12514 H2O 3500 H2O O1 4 -0.847600 15.9994 0 - 12515 H2O 3500 H2O H1 3 0.423800 1.0079 0 - 12516 H2O 3500 H2O H2 3 0.423800 1.0079 0 - 12517 H2O 3501 H2O O1 4 -0.847600 15.9994 0 - 12518 H2O 3501 H2O H1 3 0.423800 1.0079 0 - 12519 H2O 3501 H2O H2 3 0.423800 1.0079 0 - 12520 H2O 3502 H2O O1 4 -0.847600 15.9994 0 - 12521 H2O 3502 H2O H1 3 0.423800 1.0079 0 - 12522 H2O 3502 H2O H2 3 0.423800 1.0079 0 - 12523 H2O 3503 H2O O1 4 -0.847600 15.9994 0 - 12524 H2O 3503 H2O H1 3 0.423800 1.0079 0 - 12525 H2O 3503 H2O H2 3 0.423800 1.0079 0 - 12526 H2O 3504 H2O O1 4 -0.847600 15.9994 0 - 12527 H2O 3504 H2O H1 3 0.423800 1.0079 0 - 12528 H2O 3504 H2O H2 3 0.423800 1.0079 0 - 12529 H2O 3505 H2O O1 4 -0.847600 15.9994 0 - 12530 H2O 3505 H2O H1 3 0.423800 1.0079 0 - 12531 H2O 3505 H2O H2 3 0.423800 1.0079 0 - 12532 H2O 3506 H2O O1 4 -0.847600 15.9994 0 - 12533 H2O 3506 H2O H1 3 0.423800 1.0079 0 - 12534 H2O 3506 H2O H2 3 0.423800 1.0079 0 - 12535 H2O 3507 H2O O1 4 -0.847600 15.9994 0 - 12536 H2O 3507 H2O H1 3 0.423800 1.0079 0 - 12537 H2O 3507 H2O H2 3 0.423800 1.0079 0 - 12538 H2O 3508 H2O O1 4 -0.847600 15.9994 0 - 12539 H2O 3508 H2O H1 3 0.423800 1.0079 0 - 12540 H2O 3508 H2O H2 3 0.423800 1.0079 0 - 12541 H2O 3509 H2O O1 4 -0.847600 15.9994 0 - 12542 H2O 3509 H2O H1 3 0.423800 1.0079 0 - 12543 H2O 3509 H2O H2 3 0.423800 1.0079 0 - 12544 H2O 3510 H2O O1 4 -0.847600 15.9994 0 - 12545 H2O 3510 H2O H1 3 0.423800 1.0079 0 - 12546 H2O 3510 H2O H2 3 0.423800 1.0079 0 - 12547 H2O 3511 H2O O1 4 -0.847600 15.9994 0 - 12548 H2O 3511 H2O H1 3 0.423800 1.0079 0 - 12549 H2O 3511 H2O H2 3 0.423800 1.0079 0 - 12550 H2O 3512 H2O O1 4 -0.847600 15.9994 0 - 12551 H2O 3512 H2O H1 3 0.423800 1.0079 0 - 12552 H2O 3512 H2O H2 3 0.423800 1.0079 0 - 12553 H2O 3513 H2O O1 4 -0.847600 15.9994 0 - 12554 H2O 3513 H2O H1 3 0.423800 1.0079 0 - 12555 H2O 3513 H2O H2 3 0.423800 1.0079 0 - 12556 H2O 3514 H2O O1 4 -0.847600 15.9994 0 - 12557 H2O 3514 H2O H1 3 0.423800 1.0079 0 - 12558 H2O 3514 H2O H2 3 0.423800 1.0079 0 - 12559 H2O 3515 H2O O1 4 -0.847600 15.9994 0 - 12560 H2O 3515 H2O H1 3 0.423800 1.0079 0 - 12561 H2O 3515 H2O H2 3 0.423800 1.0079 0 - 12562 H2O 3516 H2O O1 4 -0.847600 15.9994 0 - 12563 H2O 3516 H2O H1 3 0.423800 1.0079 0 - 12564 H2O 3516 H2O H2 3 0.423800 1.0079 0 - 12565 H2O 3517 H2O O1 4 -0.847600 15.9994 0 - 12566 H2O 3517 H2O H1 3 0.423800 1.0079 0 - 12567 H2O 3517 H2O H2 3 0.423800 1.0079 0 - 12568 H2O 3518 H2O O1 4 -0.847600 15.9994 0 - 12569 H2O 3518 H2O H1 3 0.423800 1.0079 0 - 12570 H2O 3518 H2O H2 3 0.423800 1.0079 0 - 12571 H2O 3519 H2O O1 4 -0.847600 15.9994 0 - 12572 H2O 3519 H2O H1 3 0.423800 1.0079 0 - 12573 H2O 3519 H2O H2 3 0.423800 1.0079 0 - 12574 H2O 3520 H2O O1 4 -0.847600 15.9994 0 - 12575 H2O 3520 H2O H1 3 0.423800 1.0079 0 - 12576 H2O 3520 H2O H2 3 0.423800 1.0079 0 - 12577 H2O 3521 H2O O1 4 -0.847600 15.9994 0 - 12578 H2O 3521 H2O H1 3 0.423800 1.0079 0 - 12579 H2O 3521 H2O H2 3 0.423800 1.0079 0 - 12580 H2O 3522 H2O O1 4 -0.847600 15.9994 0 - 12581 H2O 3522 H2O H1 3 0.423800 1.0079 0 - 12582 H2O 3522 H2O H2 3 0.423800 1.0079 0 - 12583 H2O 3523 H2O O1 4 -0.847600 15.9994 0 - 12584 H2O 3523 H2O H1 3 0.423800 1.0079 0 - 12585 H2O 3523 H2O H2 3 0.423800 1.0079 0 - 12586 H2O 3524 H2O O1 4 -0.847600 15.9994 0 - 12587 H2O 3524 H2O H1 3 0.423800 1.0079 0 - 12588 H2O 3524 H2O H2 3 0.423800 1.0079 0 - 12589 H2O 3525 H2O O1 4 -0.847600 15.9994 0 - 12590 H2O 3525 H2O H1 3 0.423800 1.0079 0 - 12591 H2O 3525 H2O H2 3 0.423800 1.0079 0 - 12592 H2O 3526 H2O O1 4 -0.847600 15.9994 0 - 12593 H2O 3526 H2O H1 3 0.423800 1.0079 0 - 12594 H2O 3526 H2O H2 3 0.423800 1.0079 0 - 12595 H2O 3527 H2O O1 4 -0.847600 15.9994 0 - 12596 H2O 3527 H2O H1 3 0.423800 1.0079 0 - 12597 H2O 3527 H2O H2 3 0.423800 1.0079 0 - 12598 H2O 3528 H2O O1 4 -0.847600 15.9994 0 - 12599 H2O 3528 H2O H1 3 0.423800 1.0079 0 - 12600 H2O 3528 H2O H2 3 0.423800 1.0079 0 - 12601 H2O 3529 H2O O1 4 -0.847600 15.9994 0 - 12602 H2O 3529 H2O H1 3 0.423800 1.0079 0 - 12603 H2O 3529 H2O H2 3 0.423800 1.0079 0 - 12604 H2O 3530 H2O O1 4 -0.847600 15.9994 0 - 12605 H2O 3530 H2O H1 3 0.423800 1.0079 0 - 12606 H2O 3530 H2O H2 3 0.423800 1.0079 0 - 12607 H2O 3531 H2O O1 4 -0.847600 15.9994 0 - 12608 H2O 3531 H2O H1 3 0.423800 1.0079 0 - 12609 H2O 3531 H2O H2 3 0.423800 1.0079 0 - 12610 H2O 3532 H2O O1 4 -0.847600 15.9994 0 - 12611 H2O 3532 H2O H1 3 0.423800 1.0079 0 - 12612 H2O 3532 H2O H2 3 0.423800 1.0079 0 - 12613 H2O 3533 H2O O1 4 -0.847600 15.9994 0 - 12614 H2O 3533 H2O H1 3 0.423800 1.0079 0 - 12615 H2O 3533 H2O H2 3 0.423800 1.0079 0 - 12616 H2O 3534 H2O O1 4 -0.847600 15.9994 0 - 12617 H2O 3534 H2O H1 3 0.423800 1.0079 0 - 12618 H2O 3534 H2O H2 3 0.423800 1.0079 0 - 12619 H2O 3535 H2O O1 4 -0.847600 15.9994 0 - 12620 H2O 3535 H2O H1 3 0.423800 1.0079 0 - 12621 H2O 3535 H2O H2 3 0.423800 1.0079 0 - 12622 H2O 3536 H2O O1 4 -0.847600 15.9994 0 - 12623 H2O 3536 H2O H1 3 0.423800 1.0079 0 - 12624 H2O 3536 H2O H2 3 0.423800 1.0079 0 - 12625 H2O 3537 H2O O1 4 -0.847600 15.9994 0 - 12626 H2O 3537 H2O H1 3 0.423800 1.0079 0 - 12627 H2O 3537 H2O H2 3 0.423800 1.0079 0 - 12628 H2O 3538 H2O O1 4 -0.847600 15.9994 0 - 12629 H2O 3538 H2O H1 3 0.423800 1.0079 0 - 12630 H2O 3538 H2O H2 3 0.423800 1.0079 0 - 12631 H2O 3539 H2O O1 4 -0.847600 15.9994 0 - 12632 H2O 3539 H2O H1 3 0.423800 1.0079 0 - 12633 H2O 3539 H2O H2 3 0.423800 1.0079 0 - 12634 H2O 3540 H2O O1 4 -0.847600 15.9994 0 - 12635 H2O 3540 H2O H1 3 0.423800 1.0079 0 - 12636 H2O 3540 H2O H2 3 0.423800 1.0079 0 - 12637 H2O 3541 H2O O1 4 -0.847600 15.9994 0 - 12638 H2O 3541 H2O H1 3 0.423800 1.0079 0 - 12639 H2O 3541 H2O H2 3 0.423800 1.0079 0 - 12640 H2O 3542 H2O O1 4 -0.847600 15.9994 0 - 12641 H2O 3542 H2O H1 3 0.423800 1.0079 0 - 12642 H2O 3542 H2O H2 3 0.423800 1.0079 0 - 12643 H2O 3543 H2O O1 4 -0.847600 15.9994 0 - 12644 H2O 3543 H2O H1 3 0.423800 1.0079 0 - 12645 H2O 3543 H2O H2 3 0.423800 1.0079 0 - 12646 H2O 3544 H2O O1 4 -0.847600 15.9994 0 - 12647 H2O 3544 H2O H1 3 0.423800 1.0079 0 - 12648 H2O 3544 H2O H2 3 0.423800 1.0079 0 - 12649 H2O 3545 H2O O1 4 -0.847600 15.9994 0 - 12650 H2O 3545 H2O H1 3 0.423800 1.0079 0 - 12651 H2O 3545 H2O H2 3 0.423800 1.0079 0 - 12652 H2O 3546 H2O O1 4 -0.847600 15.9994 0 - 12653 H2O 3546 H2O H1 3 0.423800 1.0079 0 - 12654 H2O 3546 H2O H2 3 0.423800 1.0079 0 - 12655 H2O 3547 H2O O1 4 -0.847600 15.9994 0 - 12656 H2O 3547 H2O H1 3 0.423800 1.0079 0 - 12657 H2O 3547 H2O H2 3 0.423800 1.0079 0 - 12658 H2O 3548 H2O O1 4 -0.847600 15.9994 0 - 12659 H2O 3548 H2O H1 3 0.423800 1.0079 0 - 12660 H2O 3548 H2O H2 3 0.423800 1.0079 0 - 12661 H2O 3549 H2O O1 4 -0.847600 15.9994 0 - 12662 H2O 3549 H2O H1 3 0.423800 1.0079 0 - 12663 H2O 3549 H2O H2 3 0.423800 1.0079 0 - 12664 H2O 3550 H2O O1 4 -0.847600 15.9994 0 - 12665 H2O 3550 H2O H1 3 0.423800 1.0079 0 - 12666 H2O 3550 H2O H2 3 0.423800 1.0079 0 - 12667 H2O 3551 H2O O1 4 -0.847600 15.9994 0 - 12668 H2O 3551 H2O H1 3 0.423800 1.0079 0 - 12669 H2O 3551 H2O H2 3 0.423800 1.0079 0 - 12670 H2O 3552 H2O O1 4 -0.847600 15.9994 0 - 12671 H2O 3552 H2O H1 3 0.423800 1.0079 0 - 12672 H2O 3552 H2O H2 3 0.423800 1.0079 0 - 12673 H2O 3553 H2O O1 4 -0.847600 15.9994 0 - 12674 H2O 3553 H2O H1 3 0.423800 1.0079 0 - 12675 H2O 3553 H2O H2 3 0.423800 1.0079 0 - 12676 H2O 3554 H2O O1 4 -0.847600 15.9994 0 - 12677 H2O 3554 H2O H1 3 0.423800 1.0079 0 - 12678 H2O 3554 H2O H2 3 0.423800 1.0079 0 - 12679 H2O 3555 H2O O1 4 -0.847600 15.9994 0 - 12680 H2O 3555 H2O H1 3 0.423800 1.0079 0 - 12681 H2O 3555 H2O H2 3 0.423800 1.0079 0 - 12682 H2O 3556 H2O O1 4 -0.847600 15.9994 0 - 12683 H2O 3556 H2O H1 3 0.423800 1.0079 0 - 12684 H2O 3556 H2O H2 3 0.423800 1.0079 0 - 12685 H2O 3557 H2O O1 4 -0.847600 15.9994 0 - 12686 H2O 3557 H2O H1 3 0.423800 1.0079 0 - 12687 H2O 3557 H2O H2 3 0.423800 1.0079 0 - 12688 H2O 3558 H2O O1 4 -0.847600 15.9994 0 - 12689 H2O 3558 H2O H1 3 0.423800 1.0079 0 - 12690 H2O 3558 H2O H2 3 0.423800 1.0079 0 - 12691 H2O 3559 H2O O1 4 -0.847600 15.9994 0 - 12692 H2O 3559 H2O H1 3 0.423800 1.0079 0 - 12693 H2O 3559 H2O H2 3 0.423800 1.0079 0 - 12694 H2O 3560 H2O O1 4 -0.847600 15.9994 0 - 12695 H2O 3560 H2O H1 3 0.423800 1.0079 0 - 12696 H2O 3560 H2O H2 3 0.423800 1.0079 0 - 12697 H2O 3561 H2O O1 4 -0.847600 15.9994 0 - 12698 H2O 3561 H2O H1 3 0.423800 1.0079 0 - 12699 H2O 3561 H2O H2 3 0.423800 1.0079 0 - 12700 H2O 3562 H2O O1 4 -0.847600 15.9994 0 - 12701 H2O 3562 H2O H1 3 0.423800 1.0079 0 - 12702 H2O 3562 H2O H2 3 0.423800 1.0079 0 - 12703 H2O 3563 H2O O1 4 -0.847600 15.9994 0 - 12704 H2O 3563 H2O H1 3 0.423800 1.0079 0 - 12705 H2O 3563 H2O H2 3 0.423800 1.0079 0 - 12706 H2O 3564 H2O O1 4 -0.847600 15.9994 0 - 12707 H2O 3564 H2O H1 3 0.423800 1.0079 0 - 12708 H2O 3564 H2O H2 3 0.423800 1.0079 0 - 12709 H2O 3565 H2O O1 4 -0.847600 15.9994 0 - 12710 H2O 3565 H2O H1 3 0.423800 1.0079 0 - 12711 H2O 3565 H2O H2 3 0.423800 1.0079 0 - 12712 H2O 3566 H2O O1 4 -0.847600 15.9994 0 - 12713 H2O 3566 H2O H1 3 0.423800 1.0079 0 - 12714 H2O 3566 H2O H2 3 0.423800 1.0079 0 - 12715 H2O 3567 H2O O1 4 -0.847600 15.9994 0 - 12716 H2O 3567 H2O H1 3 0.423800 1.0079 0 - 12717 H2O 3567 H2O H2 3 0.423800 1.0079 0 - 12718 H2O 3568 H2O O1 4 -0.847600 15.9994 0 - 12719 H2O 3568 H2O H1 3 0.423800 1.0079 0 - 12720 H2O 3568 H2O H2 3 0.423800 1.0079 0 - 12721 H2O 3569 H2O O1 4 -0.847600 15.9994 0 - 12722 H2O 3569 H2O H1 3 0.423800 1.0079 0 - 12723 H2O 3569 H2O H2 3 0.423800 1.0079 0 - 12724 H2O 3570 H2O O1 4 -0.847600 15.9994 0 - 12725 H2O 3570 H2O H1 3 0.423800 1.0079 0 - 12726 H2O 3570 H2O H2 3 0.423800 1.0079 0 - 12727 H2O 3571 H2O O1 4 -0.847600 15.9994 0 - 12728 H2O 3571 H2O H1 3 0.423800 1.0079 0 - 12729 H2O 3571 H2O H2 3 0.423800 1.0079 0 - 12730 H2O 3572 H2O O1 4 -0.847600 15.9994 0 - 12731 H2O 3572 H2O H1 3 0.423800 1.0079 0 - 12732 H2O 3572 H2O H2 3 0.423800 1.0079 0 - 12733 H2O 3573 H2O O1 4 -0.847600 15.9994 0 - 12734 H2O 3573 H2O H1 3 0.423800 1.0079 0 - 12735 H2O 3573 H2O H2 3 0.423800 1.0079 0 - 12736 H2O 3574 H2O O1 4 -0.847600 15.9994 0 - 12737 H2O 3574 H2O H1 3 0.423800 1.0079 0 - 12738 H2O 3574 H2O H2 3 0.423800 1.0079 0 - 12739 H2O 3575 H2O O1 4 -0.847600 15.9994 0 - 12740 H2O 3575 H2O H1 3 0.423800 1.0079 0 - 12741 H2O 3575 H2O H2 3 0.423800 1.0079 0 - 12742 H2O 3576 H2O O1 4 -0.847600 15.9994 0 - 12743 H2O 3576 H2O H1 3 0.423800 1.0079 0 - 12744 H2O 3576 H2O H2 3 0.423800 1.0079 0 - 12745 H2O 3577 H2O O1 4 -0.847600 15.9994 0 - 12746 H2O 3577 H2O H1 3 0.423800 1.0079 0 - 12747 H2O 3577 H2O H2 3 0.423800 1.0079 0 - 12748 H2O 3578 H2O O1 4 -0.847600 15.9994 0 - 12749 H2O 3578 H2O H1 3 0.423800 1.0079 0 - 12750 H2O 3578 H2O H2 3 0.423800 1.0079 0 - 12751 H2O 3579 H2O O1 4 -0.847600 15.9994 0 - 12752 H2O 3579 H2O H1 3 0.423800 1.0079 0 - 12753 H2O 3579 H2O H2 3 0.423800 1.0079 0 - 12754 H2O 3580 H2O O1 4 -0.847600 15.9994 0 - 12755 H2O 3580 H2O H1 3 0.423800 1.0079 0 - 12756 H2O 3580 H2O H2 3 0.423800 1.0079 0 - 12757 H2O 3581 H2O O1 4 -0.847600 15.9994 0 - 12758 H2O 3581 H2O H1 3 0.423800 1.0079 0 - 12759 H2O 3581 H2O H2 3 0.423800 1.0079 0 - 12760 H2O 3582 H2O O1 4 -0.847600 15.9994 0 - 12761 H2O 3582 H2O H1 3 0.423800 1.0079 0 - 12762 H2O 3582 H2O H2 3 0.423800 1.0079 0 - 12763 H2O 3583 H2O O1 4 -0.847600 15.9994 0 - 12764 H2O 3583 H2O H1 3 0.423800 1.0079 0 - 12765 H2O 3583 H2O H2 3 0.423800 1.0079 0 - 12766 H2O 3584 H2O O1 4 -0.847600 15.9994 0 - 12767 H2O 3584 H2O H1 3 0.423800 1.0079 0 - 12768 H2O 3584 H2O H2 3 0.423800 1.0079 0 - 12769 H2O 3585 H2O O1 4 -0.847600 15.9994 0 - 12770 H2O 3585 H2O H1 3 0.423800 1.0079 0 - 12771 H2O 3585 H2O H2 3 0.423800 1.0079 0 - 12772 H2O 3586 H2O O1 4 -0.847600 15.9994 0 - 12773 H2O 3586 H2O H1 3 0.423800 1.0079 0 - 12774 H2O 3586 H2O H2 3 0.423800 1.0079 0 - 12775 H2O 3587 H2O O1 4 -0.847600 15.9994 0 - 12776 H2O 3587 H2O H1 3 0.423800 1.0079 0 - 12777 H2O 3587 H2O H2 3 0.423800 1.0079 0 - 12778 H2O 3588 H2O O1 4 -0.847600 15.9994 0 - 12779 H2O 3588 H2O H1 3 0.423800 1.0079 0 - 12780 H2O 3588 H2O H2 3 0.423800 1.0079 0 - 12781 H2O 3589 H2O O1 4 -0.847600 15.9994 0 - 12782 H2O 3589 H2O H1 3 0.423800 1.0079 0 - 12783 H2O 3589 H2O H2 3 0.423800 1.0079 0 - 12784 H2O 3590 H2O O1 4 -0.847600 15.9994 0 - 12785 H2O 3590 H2O H1 3 0.423800 1.0079 0 - 12786 H2O 3590 H2O H2 3 0.423800 1.0079 0 - 12787 H2O 3591 H2O O1 4 -0.847600 15.9994 0 - 12788 H2O 3591 H2O H1 3 0.423800 1.0079 0 - 12789 H2O 3591 H2O H2 3 0.423800 1.0079 0 - 12790 H2O 3592 H2O O1 4 -0.847600 15.9994 0 - 12791 H2O 3592 H2O H1 3 0.423800 1.0079 0 - 12792 H2O 3592 H2O H2 3 0.423800 1.0079 0 - 12793 H2O 3593 H2O O1 4 -0.847600 15.9994 0 - 12794 H2O 3593 H2O H1 3 0.423800 1.0079 0 - 12795 H2O 3593 H2O H2 3 0.423800 1.0079 0 - 12796 H2O 3594 H2O O1 4 -0.847600 15.9994 0 - 12797 H2O 3594 H2O H1 3 0.423800 1.0079 0 - 12798 H2O 3594 H2O H2 3 0.423800 1.0079 0 - 12799 H2O 3595 H2O O1 4 -0.847600 15.9994 0 - 12800 H2O 3595 H2O H1 3 0.423800 1.0079 0 - 12801 H2O 3595 H2O H2 3 0.423800 1.0079 0 - 12802 H2O 3596 H2O O1 4 -0.847600 15.9994 0 - 12803 H2O 3596 H2O H1 3 0.423800 1.0079 0 - 12804 H2O 3596 H2O H2 3 0.423800 1.0079 0 - 12805 H2O 3597 H2O O1 4 -0.847600 15.9994 0 - 12806 H2O 3597 H2O H1 3 0.423800 1.0079 0 - 12807 H2O 3597 H2O H2 3 0.423800 1.0079 0 - 12808 H2O 3598 H2O O1 4 -0.847600 15.9994 0 - 12809 H2O 3598 H2O H1 3 0.423800 1.0079 0 - 12810 H2O 3598 H2O H2 3 0.423800 1.0079 0 - 12811 H2O 3599 H2O O1 4 -0.847600 15.9994 0 - 12812 H2O 3599 H2O H1 3 0.423800 1.0079 0 - 12813 H2O 3599 H2O H2 3 0.423800 1.0079 0 - 12814 H2O 3600 H2O O1 4 -0.847600 15.9994 0 - 12815 H2O 3600 H2O H1 3 0.423800 1.0079 0 - 12816 H2O 3600 H2O H2 3 0.423800 1.0079 0 - 12817 H2O 3601 H2O O1 4 -0.847600 15.9994 0 - 12818 H2O 3601 H2O H1 3 0.423800 1.0079 0 - 12819 H2O 3601 H2O H2 3 0.423800 1.0079 0 - 12820 H2O 3602 H2O O1 4 -0.847600 15.9994 0 - 12821 H2O 3602 H2O H1 3 0.423800 1.0079 0 - 12822 H2O 3602 H2O H2 3 0.423800 1.0079 0 - 12823 H2O 3603 H2O O1 4 -0.847600 15.9994 0 - 12824 H2O 3603 H2O H1 3 0.423800 1.0079 0 - 12825 H2O 3603 H2O H2 3 0.423800 1.0079 0 - 12826 H2O 3604 H2O O1 4 -0.847600 15.9994 0 - 12827 H2O 3604 H2O H1 3 0.423800 1.0079 0 - 12828 H2O 3604 H2O H2 3 0.423800 1.0079 0 - 12829 H2O 3605 H2O O1 4 -0.847600 15.9994 0 - 12830 H2O 3605 H2O H1 3 0.423800 1.0079 0 - 12831 H2O 3605 H2O H2 3 0.423800 1.0079 0 - 12832 H2O 3606 H2O O1 4 -0.847600 15.9994 0 - 12833 H2O 3606 H2O H1 3 0.423800 1.0079 0 - 12834 H2O 3606 H2O H2 3 0.423800 1.0079 0 - 12835 H2O 3607 H2O O1 4 -0.847600 15.9994 0 - 12836 H2O 3607 H2O H1 3 0.423800 1.0079 0 - 12837 H2O 3607 H2O H2 3 0.423800 1.0079 0 - 12838 H2O 3608 H2O O1 4 -0.847600 15.9994 0 - 12839 H2O 3608 H2O H1 3 0.423800 1.0079 0 - 12840 H2O 3608 H2O H2 3 0.423800 1.0079 0 - 12841 H2O 3609 H2O O1 4 -0.847600 15.9994 0 - 12842 H2O 3609 H2O H1 3 0.423800 1.0079 0 - 12843 H2O 3609 H2O H2 3 0.423800 1.0079 0 - 12844 H2O 3610 H2O O1 4 -0.847600 15.9994 0 - 12845 H2O 3610 H2O H1 3 0.423800 1.0079 0 - 12846 H2O 3610 H2O H2 3 0.423800 1.0079 0 - 12847 H2O 3611 H2O O1 4 -0.847600 15.9994 0 - 12848 H2O 3611 H2O H1 3 0.423800 1.0079 0 - 12849 H2O 3611 H2O H2 3 0.423800 1.0079 0 - 12850 H2O 3612 H2O O1 4 -0.847600 15.9994 0 - 12851 H2O 3612 H2O H1 3 0.423800 1.0079 0 - 12852 H2O 3612 H2O H2 3 0.423800 1.0079 0 - 12853 H2O 3613 H2O O1 4 -0.847600 15.9994 0 - 12854 H2O 3613 H2O H1 3 0.423800 1.0079 0 - 12855 H2O 3613 H2O H2 3 0.423800 1.0079 0 - 12856 H2O 3614 H2O O1 4 -0.847600 15.9994 0 - 12857 H2O 3614 H2O H1 3 0.423800 1.0079 0 - 12858 H2O 3614 H2O H2 3 0.423800 1.0079 0 - 12859 H2O 3615 H2O O1 4 -0.847600 15.9994 0 - 12860 H2O 3615 H2O H1 3 0.423800 1.0079 0 - 12861 H2O 3615 H2O H2 3 0.423800 1.0079 0 - 12862 H2O 3616 H2O O1 4 -0.847600 15.9994 0 - 12863 H2O 3616 H2O H1 3 0.423800 1.0079 0 - 12864 H2O 3616 H2O H2 3 0.423800 1.0079 0 - 12865 H2O 3617 H2O O1 4 -0.847600 15.9994 0 - 12866 H2O 3617 H2O H1 3 0.423800 1.0079 0 - 12867 H2O 3617 H2O H2 3 0.423800 1.0079 0 - 12868 H2O 3618 H2O O1 4 -0.847600 15.9994 0 - 12869 H2O 3618 H2O H1 3 0.423800 1.0079 0 - 12870 H2O 3618 H2O H2 3 0.423800 1.0079 0 - 12871 H2O 3619 H2O O1 4 -0.847600 15.9994 0 - 12872 H2O 3619 H2O H1 3 0.423800 1.0079 0 - 12873 H2O 3619 H2O H2 3 0.423800 1.0079 0 - 12874 H2O 3620 H2O O1 4 -0.847600 15.9994 0 - 12875 H2O 3620 H2O H1 3 0.423800 1.0079 0 - 12876 H2O 3620 H2O H2 3 0.423800 1.0079 0 - 12877 H2O 3621 H2O O1 4 -0.847600 15.9994 0 - 12878 H2O 3621 H2O H1 3 0.423800 1.0079 0 - 12879 H2O 3621 H2O H2 3 0.423800 1.0079 0 - 12880 H2O 3622 H2O O1 4 -0.847600 15.9994 0 - 12881 H2O 3622 H2O H1 3 0.423800 1.0079 0 - 12882 H2O 3622 H2O H2 3 0.423800 1.0079 0 - 12883 H2O 3623 H2O O1 4 -0.847600 15.9994 0 - 12884 H2O 3623 H2O H1 3 0.423800 1.0079 0 - 12885 H2O 3623 H2O H2 3 0.423800 1.0079 0 - 12886 H2O 3624 H2O O1 4 -0.847600 15.9994 0 - 12887 H2O 3624 H2O H1 3 0.423800 1.0079 0 - 12888 H2O 3624 H2O H2 3 0.423800 1.0079 0 - 12889 H2O 3625 H2O O1 4 -0.847600 15.9994 0 - 12890 H2O 3625 H2O H1 3 0.423800 1.0079 0 - 12891 H2O 3625 H2O H2 3 0.423800 1.0079 0 - 12892 H2O 3626 H2O O1 4 -0.847600 15.9994 0 - 12893 H2O 3626 H2O H1 3 0.423800 1.0079 0 - 12894 H2O 3626 H2O H2 3 0.423800 1.0079 0 - 12895 H2O 3627 H2O O1 4 -0.847600 15.9994 0 - 12896 H2O 3627 H2O H1 3 0.423800 1.0079 0 - 12897 H2O 3627 H2O H2 3 0.423800 1.0079 0 - 12898 H2O 3628 H2O O1 4 -0.847600 15.9994 0 - 12899 H2O 3628 H2O H1 3 0.423800 1.0079 0 - 12900 H2O 3628 H2O H2 3 0.423800 1.0079 0 - 12901 H2O 3629 H2O O1 4 -0.847600 15.9994 0 - 12902 H2O 3629 H2O H1 3 0.423800 1.0079 0 - 12903 H2O 3629 H2O H2 3 0.423800 1.0079 0 - 12904 H2O 3630 H2O O1 4 -0.847600 15.9994 0 - 12905 H2O 3630 H2O H1 3 0.423800 1.0079 0 - 12906 H2O 3630 H2O H2 3 0.423800 1.0079 0 - 12907 H2O 3631 H2O O1 4 -0.847600 15.9994 0 - 12908 H2O 3631 H2O H1 3 0.423800 1.0079 0 - 12909 H2O 3631 H2O H2 3 0.423800 1.0079 0 - 12910 H2O 3632 H2O O1 4 -0.847600 15.9994 0 - 12911 H2O 3632 H2O H1 3 0.423800 1.0079 0 - 12912 H2O 3632 H2O H2 3 0.423800 1.0079 0 - 12913 H2O 3633 H2O O1 4 -0.847600 15.9994 0 - 12914 H2O 3633 H2O H1 3 0.423800 1.0079 0 - 12915 H2O 3633 H2O H2 3 0.423800 1.0079 0 - 12916 H2O 3634 H2O O1 4 -0.847600 15.9994 0 - 12917 H2O 3634 H2O H1 3 0.423800 1.0079 0 - 12918 H2O 3634 H2O H2 3 0.423800 1.0079 0 - 12919 H2O 3635 H2O O1 4 -0.847600 15.9994 0 - 12920 H2O 3635 H2O H1 3 0.423800 1.0079 0 - 12921 H2O 3635 H2O H2 3 0.423800 1.0079 0 - 12922 H2O 3636 H2O O1 4 -0.847600 15.9994 0 - 12923 H2O 3636 H2O H1 3 0.423800 1.0079 0 - 12924 H2O 3636 H2O H2 3 0.423800 1.0079 0 - 12925 H2O 3637 H2O O1 4 -0.847600 15.9994 0 - 12926 H2O 3637 H2O H1 3 0.423800 1.0079 0 - 12927 H2O 3637 H2O H2 3 0.423800 1.0079 0 - 12928 H2O 3638 H2O O1 4 -0.847600 15.9994 0 - 12929 H2O 3638 H2O H1 3 0.423800 1.0079 0 - 12930 H2O 3638 H2O H2 3 0.423800 1.0079 0 - 12931 H2O 3639 H2O O1 4 -0.847600 15.9994 0 - 12932 H2O 3639 H2O H1 3 0.423800 1.0079 0 - 12933 H2O 3639 H2O H2 3 0.423800 1.0079 0 - 12934 H2O 3640 H2O O1 4 -0.847600 15.9994 0 - 12935 H2O 3640 H2O H1 3 0.423800 1.0079 0 - 12936 H2O 3640 H2O H2 3 0.423800 1.0079 0 - 12937 H2O 3641 H2O O1 4 -0.847600 15.9994 0 - 12938 H2O 3641 H2O H1 3 0.423800 1.0079 0 - 12939 H2O 3641 H2O H2 3 0.423800 1.0079 0 - 12940 H2O 3642 H2O O1 4 -0.847600 15.9994 0 - 12941 H2O 3642 H2O H1 3 0.423800 1.0079 0 - 12942 H2O 3642 H2O H2 3 0.423800 1.0079 0 - 12943 H2O 3643 H2O O1 4 -0.847600 15.9994 0 - 12944 H2O 3643 H2O H1 3 0.423800 1.0079 0 - 12945 H2O 3643 H2O H2 3 0.423800 1.0079 0 - 12946 H2O 3644 H2O O1 4 -0.847600 15.9994 0 - 12947 H2O 3644 H2O H1 3 0.423800 1.0079 0 - 12948 H2O 3644 H2O H2 3 0.423800 1.0079 0 - 12949 H2O 3645 H2O O1 4 -0.847600 15.9994 0 - 12950 H2O 3645 H2O H1 3 0.423800 1.0079 0 - 12951 H2O 3645 H2O H2 3 0.423800 1.0079 0 - 12952 H2O 3646 H2O O1 4 -0.847600 15.9994 0 - 12953 H2O 3646 H2O H1 3 0.423800 1.0079 0 - 12954 H2O 3646 H2O H2 3 0.423800 1.0079 0 - 12955 H2O 3647 H2O O1 4 -0.847600 15.9994 0 - 12956 H2O 3647 H2O H1 3 0.423800 1.0079 0 - 12957 H2O 3647 H2O H2 3 0.423800 1.0079 0 - 12958 H2O 3648 H2O O1 4 -0.847600 15.9994 0 - 12959 H2O 3648 H2O H1 3 0.423800 1.0079 0 - 12960 H2O 3648 H2O H2 3 0.423800 1.0079 0 - 12961 H2O 3649 H2O O1 4 -0.847600 15.9994 0 - 12962 H2O 3649 H2O H1 3 0.423800 1.0079 0 - 12963 H2O 3649 H2O H2 3 0.423800 1.0079 0 - 12964 H2O 3650 H2O O1 4 -0.847600 15.9994 0 - 12965 H2O 3650 H2O H1 3 0.423800 1.0079 0 - 12966 H2O 3650 H2O H2 3 0.423800 1.0079 0 - 12967 H2O 3651 H2O O1 4 -0.847600 15.9994 0 - 12968 H2O 3651 H2O H1 3 0.423800 1.0079 0 - 12969 H2O 3651 H2O H2 3 0.423800 1.0079 0 - 12970 H2O 3652 H2O O1 4 -0.847600 15.9994 0 - 12971 H2O 3652 H2O H1 3 0.423800 1.0079 0 - 12972 H2O 3652 H2O H2 3 0.423800 1.0079 0 - 12973 H2O 3653 H2O O1 4 -0.847600 15.9994 0 - 12974 H2O 3653 H2O H1 3 0.423800 1.0079 0 - 12975 H2O 3653 H2O H2 3 0.423800 1.0079 0 - 12976 H2O 3654 H2O O1 4 -0.847600 15.9994 0 - 12977 H2O 3654 H2O H1 3 0.423800 1.0079 0 - 12978 H2O 3654 H2O H2 3 0.423800 1.0079 0 - 12979 H2O 3655 H2O O1 4 -0.847600 15.9994 0 - 12980 H2O 3655 H2O H1 3 0.423800 1.0079 0 - 12981 H2O 3655 H2O H2 3 0.423800 1.0079 0 - 12982 H2O 3656 H2O O1 4 -0.847600 15.9994 0 - 12983 H2O 3656 H2O H1 3 0.423800 1.0079 0 - 12984 H2O 3656 H2O H2 3 0.423800 1.0079 0 - 12985 H2O 3657 H2O O1 4 -0.847600 15.9994 0 - 12986 H2O 3657 H2O H1 3 0.423800 1.0079 0 - 12987 H2O 3657 H2O H2 3 0.423800 1.0079 0 - 12988 H2O 3658 H2O O1 4 -0.847600 15.9994 0 - 12989 H2O 3658 H2O H1 3 0.423800 1.0079 0 - 12990 H2O 3658 H2O H2 3 0.423800 1.0079 0 - 12991 H2O 3659 H2O O1 4 -0.847600 15.9994 0 - 12992 H2O 3659 H2O H1 3 0.423800 1.0079 0 - 12993 H2O 3659 H2O H2 3 0.423800 1.0079 0 - 12994 H2O 3660 H2O O1 4 -0.847600 15.9994 0 - 12995 H2O 3660 H2O H1 3 0.423800 1.0079 0 - 12996 H2O 3660 H2O H2 3 0.423800 1.0079 0 - 12997 H2O 3661 H2O O1 4 -0.847600 15.9994 0 - 12998 H2O 3661 H2O H1 3 0.423800 1.0079 0 - 12999 H2O 3661 H2O H2 3 0.423800 1.0079 0 - 13000 H2O 3662 H2O O1 4 -0.847600 15.9994 0 - 13001 H2O 3662 H2O H1 3 0.423800 1.0079 0 - 13002 H2O 3662 H2O H2 3 0.423800 1.0079 0 - 13003 H2O 3663 H2O O1 4 -0.847600 15.9994 0 - 13004 H2O 3663 H2O H1 3 0.423800 1.0079 0 - 13005 H2O 3663 H2O H2 3 0.423800 1.0079 0 - 13006 H2O 3664 H2O O1 4 -0.847600 15.9994 0 - 13007 H2O 3664 H2O H1 3 0.423800 1.0079 0 - 13008 H2O 3664 H2O H2 3 0.423800 1.0079 0 - 13009 H2O 3665 H2O O1 4 -0.847600 15.9994 0 - 13010 H2O 3665 H2O H1 3 0.423800 1.0079 0 - 13011 H2O 3665 H2O H2 3 0.423800 1.0079 0 - 13012 H2O 3666 H2O O1 4 -0.847600 15.9994 0 - 13013 H2O 3666 H2O H1 3 0.423800 1.0079 0 - 13014 H2O 3666 H2O H2 3 0.423800 1.0079 0 - 13015 H2O 3667 H2O O1 4 -0.847600 15.9994 0 - 13016 H2O 3667 H2O H1 3 0.423800 1.0079 0 - 13017 H2O 3667 H2O H2 3 0.423800 1.0079 0 - 13018 H2O 3668 H2O O1 4 -0.847600 15.9994 0 - 13019 H2O 3668 H2O H1 3 0.423800 1.0079 0 - 13020 H2O 3668 H2O H2 3 0.423800 1.0079 0 - 13021 H2O 3669 H2O O1 4 -0.847600 15.9994 0 - 13022 H2O 3669 H2O H1 3 0.423800 1.0079 0 - 13023 H2O 3669 H2O H2 3 0.423800 1.0079 0 - 13024 H2O 3670 H2O O1 4 -0.847600 15.9994 0 - 13025 H2O 3670 H2O H1 3 0.423800 1.0079 0 - 13026 H2O 3670 H2O H2 3 0.423800 1.0079 0 - 13027 H2O 3671 H2O O1 4 -0.847600 15.9994 0 - 13028 H2O 3671 H2O H1 3 0.423800 1.0079 0 - 13029 H2O 3671 H2O H2 3 0.423800 1.0079 0 - 13030 H2O 3672 H2O O1 4 -0.847600 15.9994 0 - 13031 H2O 3672 H2O H1 3 0.423800 1.0079 0 - 13032 H2O 3672 H2O H2 3 0.423800 1.0079 0 - 13033 H2O 3673 H2O O1 4 -0.847600 15.9994 0 - 13034 H2O 3673 H2O H1 3 0.423800 1.0079 0 - 13035 H2O 3673 H2O H2 3 0.423800 1.0079 0 - 13036 H2O 3674 H2O O1 4 -0.847600 15.9994 0 - 13037 H2O 3674 H2O H1 3 0.423800 1.0079 0 - 13038 H2O 3674 H2O H2 3 0.423800 1.0079 0 - 13039 H2O 3675 H2O O1 4 -0.847600 15.9994 0 - 13040 H2O 3675 H2O H1 3 0.423800 1.0079 0 - 13041 H2O 3675 H2O H2 3 0.423800 1.0079 0 - 13042 H2O 3676 H2O O1 4 -0.847600 15.9994 0 - 13043 H2O 3676 H2O H1 3 0.423800 1.0079 0 - 13044 H2O 3676 H2O H2 3 0.423800 1.0079 0 - 13045 H2O 3677 H2O O1 4 -0.847600 15.9994 0 - 13046 H2O 3677 H2O H1 3 0.423800 1.0079 0 - 13047 H2O 3677 H2O H2 3 0.423800 1.0079 0 - 13048 H2O 3678 H2O O1 4 -0.847600 15.9994 0 - 13049 H2O 3678 H2O H1 3 0.423800 1.0079 0 - 13050 H2O 3678 H2O H2 3 0.423800 1.0079 0 - 13051 H2O 3679 H2O O1 4 -0.847600 15.9994 0 - 13052 H2O 3679 H2O H1 3 0.423800 1.0079 0 - 13053 H2O 3679 H2O H2 3 0.423800 1.0079 0 - 13054 H2O 3680 H2O O1 4 -0.847600 15.9994 0 - 13055 H2O 3680 H2O H1 3 0.423800 1.0079 0 - 13056 H2O 3680 H2O H2 3 0.423800 1.0079 0 - 13057 H2O 3681 H2O O1 4 -0.847600 15.9994 0 - 13058 H2O 3681 H2O H1 3 0.423800 1.0079 0 - 13059 H2O 3681 H2O H2 3 0.423800 1.0079 0 - 13060 H2O 3682 H2O O1 4 -0.847600 15.9994 0 - 13061 H2O 3682 H2O H1 3 0.423800 1.0079 0 - 13062 H2O 3682 H2O H2 3 0.423800 1.0079 0 - 13063 H2O 3683 H2O O1 4 -0.847600 15.9994 0 - 13064 H2O 3683 H2O H1 3 0.423800 1.0079 0 - 13065 H2O 3683 H2O H2 3 0.423800 1.0079 0 - 13066 H2O 3684 H2O O1 4 -0.847600 15.9994 0 - 13067 H2O 3684 H2O H1 3 0.423800 1.0079 0 - 13068 H2O 3684 H2O H2 3 0.423800 1.0079 0 - 13069 H2O 3685 H2O O1 4 -0.847600 15.9994 0 - 13070 H2O 3685 H2O H1 3 0.423800 1.0079 0 - 13071 H2O 3685 H2O H2 3 0.423800 1.0079 0 - 13072 H2O 3686 H2O O1 4 -0.847600 15.9994 0 - 13073 H2O 3686 H2O H1 3 0.423800 1.0079 0 - 13074 H2O 3686 H2O H2 3 0.423800 1.0079 0 - 13075 H2O 3687 H2O O1 4 -0.847600 15.9994 0 - 13076 H2O 3687 H2O H1 3 0.423800 1.0079 0 - 13077 H2O 3687 H2O H2 3 0.423800 1.0079 0 - 13078 H2O 3688 H2O O1 4 -0.847600 15.9994 0 - 13079 H2O 3688 H2O H1 3 0.423800 1.0079 0 - 13080 H2O 3688 H2O H2 3 0.423800 1.0079 0 - 13081 H2O 3689 H2O O1 4 -0.847600 15.9994 0 - 13082 H2O 3689 H2O H1 3 0.423800 1.0079 0 - 13083 H2O 3689 H2O H2 3 0.423800 1.0079 0 - 13084 H2O 3690 H2O O1 4 -0.847600 15.9994 0 - 13085 H2O 3690 H2O H1 3 0.423800 1.0079 0 - 13086 H2O 3690 H2O H2 3 0.423800 1.0079 0 - 13087 H2O 3691 H2O O1 4 -0.847600 15.9994 0 - 13088 H2O 3691 H2O H1 3 0.423800 1.0079 0 - 13089 H2O 3691 H2O H2 3 0.423800 1.0079 0 - 13090 H2O 3692 H2O O1 4 -0.847600 15.9994 0 - 13091 H2O 3692 H2O H1 3 0.423800 1.0079 0 - 13092 H2O 3692 H2O H2 3 0.423800 1.0079 0 - 13093 H2O 3693 H2O O1 4 -0.847600 15.9994 0 - 13094 H2O 3693 H2O H1 3 0.423800 1.0079 0 - 13095 H2O 3693 H2O H2 3 0.423800 1.0079 0 - 13096 H2O 3694 H2O O1 4 -0.847600 15.9994 0 - 13097 H2O 3694 H2O H1 3 0.423800 1.0079 0 - 13098 H2O 3694 H2O H2 3 0.423800 1.0079 0 - 13099 H2O 3695 H2O O1 4 -0.847600 15.9994 0 - 13100 H2O 3695 H2O H1 3 0.423800 1.0079 0 - 13101 H2O 3695 H2O H2 3 0.423800 1.0079 0 - 13102 H2O 3696 H2O O1 4 -0.847600 15.9994 0 - 13103 H2O 3696 H2O H1 3 0.423800 1.0079 0 - 13104 H2O 3696 H2O H2 3 0.423800 1.0079 0 - 13105 H2O 3697 H2O O1 4 -0.847600 15.9994 0 - 13106 H2O 3697 H2O H1 3 0.423800 1.0079 0 - 13107 H2O 3697 H2O H2 3 0.423800 1.0079 0 - 13108 H2O 3698 H2O O1 4 -0.847600 15.9994 0 - 13109 H2O 3698 H2O H1 3 0.423800 1.0079 0 - 13110 H2O 3698 H2O H2 3 0.423800 1.0079 0 - 13111 H2O 3699 H2O O1 4 -0.847600 15.9994 0 - 13112 H2O 3699 H2O H1 3 0.423800 1.0079 0 - 13113 H2O 3699 H2O H2 3 0.423800 1.0079 0 - 13114 H2O 3700 H2O O1 4 -0.847600 15.9994 0 - 13115 H2O 3700 H2O H1 3 0.423800 1.0079 0 - 13116 H2O 3700 H2O H2 3 0.423800 1.0079 0 - 13117 H2O 3701 H2O O1 4 -0.847600 15.9994 0 - 13118 H2O 3701 H2O H1 3 0.423800 1.0079 0 - 13119 H2O 3701 H2O H2 3 0.423800 1.0079 0 - 13120 H2O 3702 H2O O1 4 -0.847600 15.9994 0 - 13121 H2O 3702 H2O H1 3 0.423800 1.0079 0 - 13122 H2O 3702 H2O H2 3 0.423800 1.0079 0 - 13123 H2O 3703 H2O O1 4 -0.847600 15.9994 0 - 13124 H2O 3703 H2O H1 3 0.423800 1.0079 0 - 13125 H2O 3703 H2O H2 3 0.423800 1.0079 0 - 13126 H2O 3704 H2O O1 4 -0.847600 15.9994 0 - 13127 H2O 3704 H2O H1 3 0.423800 1.0079 0 - 13128 H2O 3704 H2O H2 3 0.423800 1.0079 0 - 13129 H2O 3705 H2O O1 4 -0.847600 15.9994 0 - 13130 H2O 3705 H2O H1 3 0.423800 1.0079 0 - 13131 H2O 3705 H2O H2 3 0.423800 1.0079 0 - 13132 H2O 3706 H2O O1 4 -0.847600 15.9994 0 - 13133 H2O 3706 H2O H1 3 0.423800 1.0079 0 - 13134 H2O 3706 H2O H2 3 0.423800 1.0079 0 - 13135 H2O 3707 H2O O1 4 -0.847600 15.9994 0 - 13136 H2O 3707 H2O H1 3 0.423800 1.0079 0 - 13137 H2O 3707 H2O H2 3 0.423800 1.0079 0 - 13138 H2O 3708 H2O O1 4 -0.847600 15.9994 0 - 13139 H2O 3708 H2O H1 3 0.423800 1.0079 0 - 13140 H2O 3708 H2O H2 3 0.423800 1.0079 0 - 13141 H2O 3709 H2O O1 4 -0.847600 15.9994 0 - 13142 H2O 3709 H2O H1 3 0.423800 1.0079 0 - 13143 H2O 3709 H2O H2 3 0.423800 1.0079 0 - 13144 H2O 3710 H2O O1 4 -0.847600 15.9994 0 - 13145 H2O 3710 H2O H1 3 0.423800 1.0079 0 - 13146 H2O 3710 H2O H2 3 0.423800 1.0079 0 - 13147 H2O 3711 H2O O1 4 -0.847600 15.9994 0 - 13148 H2O 3711 H2O H1 3 0.423800 1.0079 0 - 13149 H2O 3711 H2O H2 3 0.423800 1.0079 0 - 13150 H2O 3712 H2O O1 4 -0.847600 15.9994 0 - 13151 H2O 3712 H2O H1 3 0.423800 1.0079 0 - 13152 H2O 3712 H2O H2 3 0.423800 1.0079 0 - 13153 H2O 3713 H2O O1 4 -0.847600 15.9994 0 - 13154 H2O 3713 H2O H1 3 0.423800 1.0079 0 - 13155 H2O 3713 H2O H2 3 0.423800 1.0079 0 - 13156 H2O 3714 H2O O1 4 -0.847600 15.9994 0 - 13157 H2O 3714 H2O H1 3 0.423800 1.0079 0 - 13158 H2O 3714 H2O H2 3 0.423800 1.0079 0 - 13159 H2O 3715 H2O O1 4 -0.847600 15.9994 0 - 13160 H2O 3715 H2O H1 3 0.423800 1.0079 0 - 13161 H2O 3715 H2O H2 3 0.423800 1.0079 0 - 13162 H2O 3716 H2O O1 4 -0.847600 15.9994 0 - 13163 H2O 3716 H2O H1 3 0.423800 1.0079 0 - 13164 H2O 3716 H2O H2 3 0.423800 1.0079 0 - 13165 H2O 3717 H2O O1 4 -0.847600 15.9994 0 - 13166 H2O 3717 H2O H1 3 0.423800 1.0079 0 - 13167 H2O 3717 H2O H2 3 0.423800 1.0079 0 - 13168 H2O 3718 H2O O1 4 -0.847600 15.9994 0 - 13169 H2O 3718 H2O H1 3 0.423800 1.0079 0 - 13170 H2O 3718 H2O H2 3 0.423800 1.0079 0 - 13171 H2O 3719 H2O O1 4 -0.847600 15.9994 0 - 13172 H2O 3719 H2O H1 3 0.423800 1.0079 0 - 13173 H2O 3719 H2O H2 3 0.423800 1.0079 0 - 13174 H2O 3720 H2O O1 4 -0.847600 15.9994 0 - 13175 H2O 3720 H2O H1 3 0.423800 1.0079 0 - 13176 H2O 3720 H2O H2 3 0.423800 1.0079 0 - 13177 H2O 3721 H2O O1 4 -0.847600 15.9994 0 - 13178 H2O 3721 H2O H1 3 0.423800 1.0079 0 - 13179 H2O 3721 H2O H2 3 0.423800 1.0079 0 - 13180 H2O 3722 H2O O1 4 -0.847600 15.9994 0 - 13181 H2O 3722 H2O H1 3 0.423800 1.0079 0 - 13182 H2O 3722 H2O H2 3 0.423800 1.0079 0 - 13183 H2O 3723 H2O O1 4 -0.847600 15.9994 0 - 13184 H2O 3723 H2O H1 3 0.423800 1.0079 0 - 13185 H2O 3723 H2O H2 3 0.423800 1.0079 0 - 13186 H2O 3724 H2O O1 4 -0.847600 15.9994 0 - 13187 H2O 3724 H2O H1 3 0.423800 1.0079 0 - 13188 H2O 3724 H2O H2 3 0.423800 1.0079 0 - 13189 H2O 3725 H2O O1 4 -0.847600 15.9994 0 - 13190 H2O 3725 H2O H1 3 0.423800 1.0079 0 - 13191 H2O 3725 H2O H2 3 0.423800 1.0079 0 - 13192 H2O 3726 H2O O1 4 -0.847600 15.9994 0 - 13193 H2O 3726 H2O H1 3 0.423800 1.0079 0 - 13194 H2O 3726 H2O H2 3 0.423800 1.0079 0 - 13195 H2O 3727 H2O O1 4 -0.847600 15.9994 0 - 13196 H2O 3727 H2O H1 3 0.423800 1.0079 0 - 13197 H2O 3727 H2O H2 3 0.423800 1.0079 0 - 13198 H2O 3728 H2O O1 4 -0.847600 15.9994 0 - 13199 H2O 3728 H2O H1 3 0.423800 1.0079 0 - 13200 H2O 3728 H2O H2 3 0.423800 1.0079 0 - 13201 H2O 3729 H2O O1 4 -0.847600 15.9994 0 - 13202 H2O 3729 H2O H1 3 0.423800 1.0079 0 - 13203 H2O 3729 H2O H2 3 0.423800 1.0079 0 - 13204 H2O 3730 H2O O1 4 -0.847600 15.9994 0 - 13205 H2O 3730 H2O H1 3 0.423800 1.0079 0 - 13206 H2O 3730 H2O H2 3 0.423800 1.0079 0 - 13207 H2O 3731 H2O O1 4 -0.847600 15.9994 0 - 13208 H2O 3731 H2O H1 3 0.423800 1.0079 0 - 13209 H2O 3731 H2O H2 3 0.423800 1.0079 0 - 13210 H2O 3732 H2O O1 4 -0.847600 15.9994 0 - 13211 H2O 3732 H2O H1 3 0.423800 1.0079 0 - 13212 H2O 3732 H2O H2 3 0.423800 1.0079 0 - 13213 H2O 3733 H2O O1 4 -0.847600 15.9994 0 - 13214 H2O 3733 H2O H1 3 0.423800 1.0079 0 - 13215 H2O 3733 H2O H2 3 0.423800 1.0079 0 - 13216 H2O 3734 H2O O1 4 -0.847600 15.9994 0 - 13217 H2O 3734 H2O H1 3 0.423800 1.0079 0 - 13218 H2O 3734 H2O H2 3 0.423800 1.0079 0 - 13219 H2O 3735 H2O O1 4 -0.847600 15.9994 0 - 13220 H2O 3735 H2O H1 3 0.423800 1.0079 0 - 13221 H2O 3735 H2O H2 3 0.423800 1.0079 0 - 13222 H2O 3736 H2O O1 4 -0.847600 15.9994 0 - 13223 H2O 3736 H2O H1 3 0.423800 1.0079 0 - 13224 H2O 3736 H2O H2 3 0.423800 1.0079 0 - 13225 H2O 3737 H2O O1 4 -0.847600 15.9994 0 - 13226 H2O 3737 H2O H1 3 0.423800 1.0079 0 - 13227 H2O 3737 H2O H2 3 0.423800 1.0079 0 - 13228 H2O 3738 H2O O1 4 -0.847600 15.9994 0 - 13229 H2O 3738 H2O H1 3 0.423800 1.0079 0 - 13230 H2O 3738 H2O H2 3 0.423800 1.0079 0 - 13231 H2O 3739 H2O O1 4 -0.847600 15.9994 0 - 13232 H2O 3739 H2O H1 3 0.423800 1.0079 0 - 13233 H2O 3739 H2O H2 3 0.423800 1.0079 0 - 13234 H2O 3740 H2O O1 4 -0.847600 15.9994 0 - 13235 H2O 3740 H2O H1 3 0.423800 1.0079 0 - 13236 H2O 3740 H2O H2 3 0.423800 1.0079 0 - 13237 H2O 3741 H2O O1 4 -0.847600 15.9994 0 - 13238 H2O 3741 H2O H1 3 0.423800 1.0079 0 - 13239 H2O 3741 H2O H2 3 0.423800 1.0079 0 - 13240 H2O 3742 H2O O1 4 -0.847600 15.9994 0 - 13241 H2O 3742 H2O H1 3 0.423800 1.0079 0 - 13242 H2O 3742 H2O H2 3 0.423800 1.0079 0 - 13243 H2O 3743 H2O O1 4 -0.847600 15.9994 0 - 13244 H2O 3743 H2O H1 3 0.423800 1.0079 0 - 13245 H2O 3743 H2O H2 3 0.423800 1.0079 0 - 13246 H2O 3744 H2O O1 4 -0.847600 15.9994 0 - 13247 H2O 3744 H2O H1 3 0.423800 1.0079 0 - 13248 H2O 3744 H2O H2 3 0.423800 1.0079 0 - 13249 H2O 3745 H2O O1 4 -0.847600 15.9994 0 - 13250 H2O 3745 H2O H1 3 0.423800 1.0079 0 - 13251 H2O 3745 H2O H2 3 0.423800 1.0079 0 - 13252 H2O 3746 H2O O1 4 -0.847600 15.9994 0 - 13253 H2O 3746 H2O H1 3 0.423800 1.0079 0 - 13254 H2O 3746 H2O H2 3 0.423800 1.0079 0 - 13255 H2O 3747 H2O O1 4 -0.847600 15.9994 0 - 13256 H2O 3747 H2O H1 3 0.423800 1.0079 0 - 13257 H2O 3747 H2O H2 3 0.423800 1.0079 0 - 13258 H2O 3748 H2O O1 4 -0.847600 15.9994 0 - 13259 H2O 3748 H2O H1 3 0.423800 1.0079 0 - 13260 H2O 3748 H2O H2 3 0.423800 1.0079 0 - 13261 H2O 3749 H2O O1 4 -0.847600 15.9994 0 - 13262 H2O 3749 H2O H1 3 0.423800 1.0079 0 - 13263 H2O 3749 H2O H2 3 0.423800 1.0079 0 - 13264 H2O 3750 H2O O1 4 -0.847600 15.9994 0 - 13265 H2O 3750 H2O H1 3 0.423800 1.0079 0 - 13266 H2O 3750 H2O H2 3 0.423800 1.0079 0 - 13267 H2O 3751 H2O O1 4 -0.847600 15.9994 0 - 13268 H2O 3751 H2O H1 3 0.423800 1.0079 0 - 13269 H2O 3751 H2O H2 3 0.423800 1.0079 0 - 13270 H2O 3752 H2O O1 4 -0.847600 15.9994 0 - 13271 H2O 3752 H2O H1 3 0.423800 1.0079 0 - 13272 H2O 3752 H2O H2 3 0.423800 1.0079 0 - 13273 H2O 3753 H2O O1 4 -0.847600 15.9994 0 - 13274 H2O 3753 H2O H1 3 0.423800 1.0079 0 - 13275 H2O 3753 H2O H2 3 0.423800 1.0079 0 - 13276 H2O 3754 H2O O1 4 -0.847600 15.9994 0 - 13277 H2O 3754 H2O H1 3 0.423800 1.0079 0 - 13278 H2O 3754 H2O H2 3 0.423800 1.0079 0 - 13279 H2O 3755 H2O O1 4 -0.847600 15.9994 0 - 13280 H2O 3755 H2O H1 3 0.423800 1.0079 0 - 13281 H2O 3755 H2O H2 3 0.423800 1.0079 0 - 13282 H2O 3756 H2O O1 4 -0.847600 15.9994 0 - 13283 H2O 3756 H2O H1 3 0.423800 1.0079 0 - 13284 H2O 3756 H2O H2 3 0.423800 1.0079 0 - 13285 H2O 3757 H2O O1 4 -0.847600 15.9994 0 - 13286 H2O 3757 H2O H1 3 0.423800 1.0079 0 - 13287 H2O 3757 H2O H2 3 0.423800 1.0079 0 - 13288 H2O 3758 H2O O1 4 -0.847600 15.9994 0 - 13289 H2O 3758 H2O H1 3 0.423800 1.0079 0 - 13290 H2O 3758 H2O H2 3 0.423800 1.0079 0 - 13291 H2O 3759 H2O O1 4 -0.847600 15.9994 0 - 13292 H2O 3759 H2O H1 3 0.423800 1.0079 0 - 13293 H2O 3759 H2O H2 3 0.423800 1.0079 0 - 13294 H2O 3760 H2O O1 4 -0.847600 15.9994 0 - 13295 H2O 3760 H2O H1 3 0.423800 1.0079 0 - 13296 H2O 3760 H2O H2 3 0.423800 1.0079 0 - 13297 H2O 3761 H2O O1 4 -0.847600 15.9994 0 - 13298 H2O 3761 H2O H1 3 0.423800 1.0079 0 - 13299 H2O 3761 H2O H2 3 0.423800 1.0079 0 - 13300 H2O 3762 H2O O1 4 -0.847600 15.9994 0 - 13301 H2O 3762 H2O H1 3 0.423800 1.0079 0 - 13302 H2O 3762 H2O H2 3 0.423800 1.0079 0 - 13303 H2O 3763 H2O O1 4 -0.847600 15.9994 0 - 13304 H2O 3763 H2O H1 3 0.423800 1.0079 0 - 13305 H2O 3763 H2O H2 3 0.423800 1.0079 0 - 13306 H2O 3764 H2O O1 4 -0.847600 15.9994 0 - 13307 H2O 3764 H2O H1 3 0.423800 1.0079 0 - 13308 H2O 3764 H2O H2 3 0.423800 1.0079 0 - 13309 H2O 3765 H2O O1 4 -0.847600 15.9994 0 - 13310 H2O 3765 H2O H1 3 0.423800 1.0079 0 - 13311 H2O 3765 H2O H2 3 0.423800 1.0079 0 - 13312 H2O 3766 H2O O1 4 -0.847600 15.9994 0 - 13313 H2O 3766 H2O H1 3 0.423800 1.0079 0 - 13314 H2O 3766 H2O H2 3 0.423800 1.0079 0 - 13315 H2O 3767 H2O O1 4 -0.847600 15.9994 0 - 13316 H2O 3767 H2O H1 3 0.423800 1.0079 0 - 13317 H2O 3767 H2O H2 3 0.423800 1.0079 0 - 13318 H2O 3768 H2O O1 4 -0.847600 15.9994 0 - 13319 H2O 3768 H2O H1 3 0.423800 1.0079 0 - 13320 H2O 3768 H2O H2 3 0.423800 1.0079 0 - 13321 H2O 3769 H2O O1 4 -0.847600 15.9994 0 - 13322 H2O 3769 H2O H1 3 0.423800 1.0079 0 - 13323 H2O 3769 H2O H2 3 0.423800 1.0079 0 - 13324 H2O 3770 H2O O1 4 -0.847600 15.9994 0 - 13325 H2O 3770 H2O H1 3 0.423800 1.0079 0 - 13326 H2O 3770 H2O H2 3 0.423800 1.0079 0 - 13327 H2O 3771 H2O O1 4 -0.847600 15.9994 0 - 13328 H2O 3771 H2O H1 3 0.423800 1.0079 0 - 13329 H2O 3771 H2O H2 3 0.423800 1.0079 0 - 13330 H2O 3772 H2O O1 4 -0.847600 15.9994 0 - 13331 H2O 3772 H2O H1 3 0.423800 1.0079 0 - 13332 H2O 3772 H2O H2 3 0.423800 1.0079 0 - 13333 H2O 3773 H2O O1 4 -0.847600 15.9994 0 - 13334 H2O 3773 H2O H1 3 0.423800 1.0079 0 - 13335 H2O 3773 H2O H2 3 0.423800 1.0079 0 - 13336 H2O 3774 H2O O1 4 -0.847600 15.9994 0 - 13337 H2O 3774 H2O H1 3 0.423800 1.0079 0 - 13338 H2O 3774 H2O H2 3 0.423800 1.0079 0 - 13339 H2O 3775 H2O O1 4 -0.847600 15.9994 0 - 13340 H2O 3775 H2O H1 3 0.423800 1.0079 0 - 13341 H2O 3775 H2O H2 3 0.423800 1.0079 0 - 13342 H2O 3776 H2O O1 4 -0.847600 15.9994 0 - 13343 H2O 3776 H2O H1 3 0.423800 1.0079 0 - 13344 H2O 3776 H2O H2 3 0.423800 1.0079 0 - 13345 H2O 3777 H2O O1 4 -0.847600 15.9994 0 - 13346 H2O 3777 H2O H1 3 0.423800 1.0079 0 - 13347 H2O 3777 H2O H2 3 0.423800 1.0079 0 - 13348 H2O 3778 H2O O1 4 -0.847600 15.9994 0 - 13349 H2O 3778 H2O H1 3 0.423800 1.0079 0 - 13350 H2O 3778 H2O H2 3 0.423800 1.0079 0 - 13351 H2O 3779 H2O O1 4 -0.847600 15.9994 0 - 13352 H2O 3779 H2O H1 3 0.423800 1.0079 0 - 13353 H2O 3779 H2O H2 3 0.423800 1.0079 0 - 13354 H2O 3780 H2O O1 4 -0.847600 15.9994 0 - 13355 H2O 3780 H2O H1 3 0.423800 1.0079 0 - 13356 H2O 3780 H2O H2 3 0.423800 1.0079 0 - 13357 H2O 3781 H2O O1 4 -0.847600 15.9994 0 - 13358 H2O 3781 H2O H1 3 0.423800 1.0079 0 - 13359 H2O 3781 H2O H2 3 0.423800 1.0079 0 - 13360 H2O 3782 H2O O1 4 -0.847600 15.9994 0 - 13361 H2O 3782 H2O H1 3 0.423800 1.0079 0 - 13362 H2O 3782 H2O H2 3 0.423800 1.0079 0 - 13363 H2O 3783 H2O O1 4 -0.847600 15.9994 0 - 13364 H2O 3783 H2O H1 3 0.423800 1.0079 0 - 13365 H2O 3783 H2O H2 3 0.423800 1.0079 0 - 13366 H2O 3784 H2O O1 4 -0.847600 15.9994 0 - 13367 H2O 3784 H2O H1 3 0.423800 1.0079 0 - 13368 H2O 3784 H2O H2 3 0.423800 1.0079 0 - 13369 H2O 3785 H2O O1 4 -0.847600 15.9994 0 - 13370 H2O 3785 H2O H1 3 0.423800 1.0079 0 - 13371 H2O 3785 H2O H2 3 0.423800 1.0079 0 - 13372 H2O 3786 H2O O1 4 -0.847600 15.9994 0 - 13373 H2O 3786 H2O H1 3 0.423800 1.0079 0 - 13374 H2O 3786 H2O H2 3 0.423800 1.0079 0 - 13375 H2O 3787 H2O O1 4 -0.847600 15.9994 0 - 13376 H2O 3787 H2O H1 3 0.423800 1.0079 0 - 13377 H2O 3787 H2O H2 3 0.423800 1.0079 0 - 13378 H2O 3788 H2O O1 4 -0.847600 15.9994 0 - 13379 H2O 3788 H2O H1 3 0.423800 1.0079 0 - 13380 H2O 3788 H2O H2 3 0.423800 1.0079 0 - 13381 H2O 3789 H2O O1 4 -0.847600 15.9994 0 - 13382 H2O 3789 H2O H1 3 0.423800 1.0079 0 - 13383 H2O 3789 H2O H2 3 0.423800 1.0079 0 - 13384 H2O 3790 H2O O1 4 -0.847600 15.9994 0 - 13385 H2O 3790 H2O H1 3 0.423800 1.0079 0 - 13386 H2O 3790 H2O H2 3 0.423800 1.0079 0 - 13387 H2O 3791 H2O O1 4 -0.847600 15.9994 0 - 13388 H2O 3791 H2O H1 3 0.423800 1.0079 0 - 13389 H2O 3791 H2O H2 3 0.423800 1.0079 0 - 13390 H2O 3792 H2O O1 4 -0.847600 15.9994 0 - 13391 H2O 3792 H2O H1 3 0.423800 1.0079 0 - 13392 H2O 3792 H2O H2 3 0.423800 1.0079 0 - 13393 H2O 3793 H2O O1 4 -0.847600 15.9994 0 - 13394 H2O 3793 H2O H1 3 0.423800 1.0079 0 - 13395 H2O 3793 H2O H2 3 0.423800 1.0079 0 - 13396 H2O 3794 H2O O1 4 -0.847600 15.9994 0 - 13397 H2O 3794 H2O H1 3 0.423800 1.0079 0 - 13398 H2O 3794 H2O H2 3 0.423800 1.0079 0 - 13399 H2O 3795 H2O O1 4 -0.847600 15.9994 0 - 13400 H2O 3795 H2O H1 3 0.423800 1.0079 0 - 13401 H2O 3795 H2O H2 3 0.423800 1.0079 0 - 13402 H2O 3796 H2O O1 4 -0.847600 15.9994 0 - 13403 H2O 3796 H2O H1 3 0.423800 1.0079 0 - 13404 H2O 3796 H2O H2 3 0.423800 1.0079 0 - 13405 H2O 3797 H2O O1 4 -0.847600 15.9994 0 - 13406 H2O 3797 H2O H1 3 0.423800 1.0079 0 - 13407 H2O 3797 H2O H2 3 0.423800 1.0079 0 - 13408 H2O 3798 H2O O1 4 -0.847600 15.9994 0 - 13409 H2O 3798 H2O H1 3 0.423800 1.0079 0 - 13410 H2O 3798 H2O H2 3 0.423800 1.0079 0 - 13411 H2O 3799 H2O O1 4 -0.847600 15.9994 0 - 13412 H2O 3799 H2O H1 3 0.423800 1.0079 0 - 13413 H2O 3799 H2O H2 3 0.423800 1.0079 0 - 13414 H2O 3800 H2O O1 4 -0.847600 15.9994 0 - 13415 H2O 3800 H2O H1 3 0.423800 1.0079 0 - 13416 H2O 3800 H2O H2 3 0.423800 1.0079 0 - 13417 H2O 3801 H2O O1 4 -0.847600 15.9994 0 - 13418 H2O 3801 H2O H1 3 0.423800 1.0079 0 - 13419 H2O 3801 H2O H2 3 0.423800 1.0079 0 - 13420 H2O 3802 H2O O1 4 -0.847600 15.9994 0 - 13421 H2O 3802 H2O H1 3 0.423800 1.0079 0 - 13422 H2O 3802 H2O H2 3 0.423800 1.0079 0 - 13423 H2O 3803 H2O O1 4 -0.847600 15.9994 0 - 13424 H2O 3803 H2O H1 3 0.423800 1.0079 0 - 13425 H2O 3803 H2O H2 3 0.423800 1.0079 0 - 13426 H2O 3804 H2O O1 4 -0.847600 15.9994 0 - 13427 H2O 3804 H2O H1 3 0.423800 1.0079 0 - 13428 H2O 3804 H2O H2 3 0.423800 1.0079 0 - 13429 H2O 3805 H2O O1 4 -0.847600 15.9994 0 - 13430 H2O 3805 H2O H1 3 0.423800 1.0079 0 - 13431 H2O 3805 H2O H2 3 0.423800 1.0079 0 - 13432 H2O 3806 H2O O1 4 -0.847600 15.9994 0 - 13433 H2O 3806 H2O H1 3 0.423800 1.0079 0 - 13434 H2O 3806 H2O H2 3 0.423800 1.0079 0 - 13435 H2O 3807 H2O O1 4 -0.847600 15.9994 0 - 13436 H2O 3807 H2O H1 3 0.423800 1.0079 0 - 13437 H2O 3807 H2O H2 3 0.423800 1.0079 0 - 13438 H2O 3808 H2O O1 4 -0.847600 15.9994 0 - 13439 H2O 3808 H2O H1 3 0.423800 1.0079 0 - 13440 H2O 3808 H2O H2 3 0.423800 1.0079 0 - 13441 H2O 3809 H2O O1 4 -0.847600 15.9994 0 - 13442 H2O 3809 H2O H1 3 0.423800 1.0079 0 - 13443 H2O 3809 H2O H2 3 0.423800 1.0079 0 - 13444 H2O 3810 H2O O1 4 -0.847600 15.9994 0 - 13445 H2O 3810 H2O H1 3 0.423800 1.0079 0 - 13446 H2O 3810 H2O H2 3 0.423800 1.0079 0 - 13447 H2O 3811 H2O O1 4 -0.847600 15.9994 0 - 13448 H2O 3811 H2O H1 3 0.423800 1.0079 0 - 13449 H2O 3811 H2O H2 3 0.423800 1.0079 0 - 13450 H2O 3812 H2O O1 4 -0.847600 15.9994 0 - 13451 H2O 3812 H2O H1 3 0.423800 1.0079 0 - 13452 H2O 3812 H2O H2 3 0.423800 1.0079 0 - 13453 H2O 3813 H2O O1 4 -0.847600 15.9994 0 - 13454 H2O 3813 H2O H1 3 0.423800 1.0079 0 - 13455 H2O 3813 H2O H2 3 0.423800 1.0079 0 - 13456 H2O 3814 H2O O1 4 -0.847600 15.9994 0 - 13457 H2O 3814 H2O H1 3 0.423800 1.0079 0 - 13458 H2O 3814 H2O H2 3 0.423800 1.0079 0 - 13459 H2O 3815 H2O O1 4 -0.847600 15.9994 0 - 13460 H2O 3815 H2O H1 3 0.423800 1.0079 0 - 13461 H2O 3815 H2O H2 3 0.423800 1.0079 0 - 13462 H2O 3816 H2O O1 4 -0.847600 15.9994 0 - 13463 H2O 3816 H2O H1 3 0.423800 1.0079 0 - 13464 H2O 3816 H2O H2 3 0.423800 1.0079 0 - 13465 H2O 3817 H2O O1 4 -0.847600 15.9994 0 - 13466 H2O 3817 H2O H1 3 0.423800 1.0079 0 - 13467 H2O 3817 H2O H2 3 0.423800 1.0079 0 - 13468 H2O 3818 H2O O1 4 -0.847600 15.9994 0 - 13469 H2O 3818 H2O H1 3 0.423800 1.0079 0 - 13470 H2O 3818 H2O H2 3 0.423800 1.0079 0 - 13471 H2O 3819 H2O O1 4 -0.847600 15.9994 0 - 13472 H2O 3819 H2O H1 3 0.423800 1.0079 0 - 13473 H2O 3819 H2O H2 3 0.423800 1.0079 0 - 13474 H2O 3820 H2O O1 4 -0.847600 15.9994 0 - 13475 H2O 3820 H2O H1 3 0.423800 1.0079 0 - 13476 H2O 3820 H2O H2 3 0.423800 1.0079 0 - 13477 H2O 3821 H2O O1 4 -0.847600 15.9994 0 - 13478 H2O 3821 H2O H1 3 0.423800 1.0079 0 - 13479 H2O 3821 H2O H2 3 0.423800 1.0079 0 - 13480 H2O 3822 H2O O1 4 -0.847600 15.9994 0 - 13481 H2O 3822 H2O H1 3 0.423800 1.0079 0 - 13482 H2O 3822 H2O H2 3 0.423800 1.0079 0 - 13483 H2O 3823 H2O O1 4 -0.847600 15.9994 0 - 13484 H2O 3823 H2O H1 3 0.423800 1.0079 0 - 13485 H2O 3823 H2O H2 3 0.423800 1.0079 0 - 13486 H2O 3824 H2O O1 4 -0.847600 15.9994 0 - 13487 H2O 3824 H2O H1 3 0.423800 1.0079 0 - 13488 H2O 3824 H2O H2 3 0.423800 1.0079 0 - 13489 H2O 3825 H2O O1 4 -0.847600 15.9994 0 - 13490 H2O 3825 H2O H1 3 0.423800 1.0079 0 - 13491 H2O 3825 H2O H2 3 0.423800 1.0079 0 - 13492 H2O 3826 H2O O1 4 -0.847600 15.9994 0 - 13493 H2O 3826 H2O H1 3 0.423800 1.0079 0 - 13494 H2O 3826 H2O H2 3 0.423800 1.0079 0 - 13495 H2O 3827 H2O O1 4 -0.847600 15.9994 0 - 13496 H2O 3827 H2O H1 3 0.423800 1.0079 0 - 13497 H2O 3827 H2O H2 3 0.423800 1.0079 0 - 13498 H2O 3828 H2O O1 4 -0.847600 15.9994 0 - 13499 H2O 3828 H2O H1 3 0.423800 1.0079 0 - 13500 H2O 3828 H2O H2 3 0.423800 1.0079 0 - 13501 H2O 3829 H2O O1 4 -0.847600 15.9994 0 - 13502 H2O 3829 H2O H1 3 0.423800 1.0079 0 - 13503 H2O 3829 H2O H2 3 0.423800 1.0079 0 - 13504 H2O 3830 H2O O1 4 -0.847600 15.9994 0 - 13505 H2O 3830 H2O H1 3 0.423800 1.0079 0 - 13506 H2O 3830 H2O H2 3 0.423800 1.0079 0 - 13507 H2O 3831 H2O O1 4 -0.847600 15.9994 0 - 13508 H2O 3831 H2O H1 3 0.423800 1.0079 0 - 13509 H2O 3831 H2O H2 3 0.423800 1.0079 0 - 13510 H2O 3832 H2O O1 4 -0.847600 15.9994 0 - 13511 H2O 3832 H2O H1 3 0.423800 1.0079 0 - 13512 H2O 3832 H2O H2 3 0.423800 1.0079 0 - 13513 H2O 3833 H2O O1 4 -0.847600 15.9994 0 - 13514 H2O 3833 H2O H1 3 0.423800 1.0079 0 - 13515 H2O 3833 H2O H2 3 0.423800 1.0079 0 - 13516 H2O 3834 H2O O1 4 -0.847600 15.9994 0 - 13517 H2O 3834 H2O H1 3 0.423800 1.0079 0 - 13518 H2O 3834 H2O H2 3 0.423800 1.0079 0 - 13519 H2O 3835 H2O O1 4 -0.847600 15.9994 0 - 13520 H2O 3835 H2O H1 3 0.423800 1.0079 0 - 13521 H2O 3835 H2O H2 3 0.423800 1.0079 0 - 13522 H2O 3836 H2O O1 4 -0.847600 15.9994 0 - 13523 H2O 3836 H2O H1 3 0.423800 1.0079 0 - 13524 H2O 3836 H2O H2 3 0.423800 1.0079 0 - 13525 H2O 3837 H2O O1 4 -0.847600 15.9994 0 - 13526 H2O 3837 H2O H1 3 0.423800 1.0079 0 - 13527 H2O 3837 H2O H2 3 0.423800 1.0079 0 - 13528 H2O 3838 H2O O1 4 -0.847600 15.9994 0 - 13529 H2O 3838 H2O H1 3 0.423800 1.0079 0 - 13530 H2O 3838 H2O H2 3 0.423800 1.0079 0 - 13531 H2O 3839 H2O O1 4 -0.847600 15.9994 0 - 13532 H2O 3839 H2O H1 3 0.423800 1.0079 0 - 13533 H2O 3839 H2O H2 3 0.423800 1.0079 0 - 13534 H2O 3840 H2O O1 4 -0.847600 15.9994 0 - 13535 H2O 3840 H2O H1 3 0.423800 1.0079 0 - 13536 H2O 3840 H2O H2 3 0.423800 1.0079 0 - 13537 H2O 3841 H2O O1 4 -0.847600 15.9994 0 - 13538 H2O 3841 H2O H1 3 0.423800 1.0079 0 - 13539 H2O 3841 H2O H2 3 0.423800 1.0079 0 - 13540 H2O 3842 H2O O1 4 -0.847600 15.9994 0 - 13541 H2O 3842 H2O H1 3 0.423800 1.0079 0 - 13542 H2O 3842 H2O H2 3 0.423800 1.0079 0 - 13543 H2O 3843 H2O O1 4 -0.847600 15.9994 0 - 13544 H2O 3843 H2O H1 3 0.423800 1.0079 0 - 13545 H2O 3843 H2O H2 3 0.423800 1.0079 0 - 13546 H2O 3844 H2O O1 4 -0.847600 15.9994 0 - 13547 H2O 3844 H2O H1 3 0.423800 1.0079 0 - 13548 H2O 3844 H2O H2 3 0.423800 1.0079 0 - 13549 H2O 3845 H2O O1 4 -0.847600 15.9994 0 - 13550 H2O 3845 H2O H1 3 0.423800 1.0079 0 - 13551 H2O 3845 H2O H2 3 0.423800 1.0079 0 - 13552 H2O 3846 H2O O1 4 -0.847600 15.9994 0 - 13553 H2O 3846 H2O H1 3 0.423800 1.0079 0 - 13554 H2O 3846 H2O H2 3 0.423800 1.0079 0 - 13555 H2O 3847 H2O O1 4 -0.847600 15.9994 0 - 13556 H2O 3847 H2O H1 3 0.423800 1.0079 0 - 13557 H2O 3847 H2O H2 3 0.423800 1.0079 0 - 13558 H2O 3848 H2O O1 4 -0.847600 15.9994 0 - 13559 H2O 3848 H2O H1 3 0.423800 1.0079 0 - 13560 H2O 3848 H2O H2 3 0.423800 1.0079 0 - 13561 H2O 3849 H2O O1 4 -0.847600 15.9994 0 - 13562 H2O 3849 H2O H1 3 0.423800 1.0079 0 - 13563 H2O 3849 H2O H2 3 0.423800 1.0079 0 - 13564 H2O 3850 H2O O1 4 -0.847600 15.9994 0 - 13565 H2O 3850 H2O H1 3 0.423800 1.0079 0 - 13566 H2O 3850 H2O H2 3 0.423800 1.0079 0 - 13567 H2O 3851 H2O O1 4 -0.847600 15.9994 0 - 13568 H2O 3851 H2O H1 3 0.423800 1.0079 0 - 13569 H2O 3851 H2O H2 3 0.423800 1.0079 0 - 13570 H2O 3852 H2O O1 4 -0.847600 15.9994 0 - 13571 H2O 3852 H2O H1 3 0.423800 1.0079 0 - 13572 H2O 3852 H2O H2 3 0.423800 1.0079 0 - 13573 H2O 3853 H2O O1 4 -0.847600 15.9994 0 - 13574 H2O 3853 H2O H1 3 0.423800 1.0079 0 - 13575 H2O 3853 H2O H2 3 0.423800 1.0079 0 - 13576 H2O 3854 H2O O1 4 -0.847600 15.9994 0 - 13577 H2O 3854 H2O H1 3 0.423800 1.0079 0 - 13578 H2O 3854 H2O H2 3 0.423800 1.0079 0 - 13579 H2O 3855 H2O O1 4 -0.847600 15.9994 0 - 13580 H2O 3855 H2O H1 3 0.423800 1.0079 0 - 13581 H2O 3855 H2O H2 3 0.423800 1.0079 0 - 13582 H2O 3856 H2O O1 4 -0.847600 15.9994 0 - 13583 H2O 3856 H2O H1 3 0.423800 1.0079 0 - 13584 H2O 3856 H2O H2 3 0.423800 1.0079 0 - 13585 H2O 3857 H2O O1 4 -0.847600 15.9994 0 - 13586 H2O 3857 H2O H1 3 0.423800 1.0079 0 - 13587 H2O 3857 H2O H2 3 0.423800 1.0079 0 - 13588 H2O 3858 H2O O1 4 -0.847600 15.9994 0 - 13589 H2O 3858 H2O H1 3 0.423800 1.0079 0 - 13590 H2O 3858 H2O H2 3 0.423800 1.0079 0 - 13591 H2O 3859 H2O O1 4 -0.847600 15.9994 0 - 13592 H2O 3859 H2O H1 3 0.423800 1.0079 0 - 13593 H2O 3859 H2O H2 3 0.423800 1.0079 0 - 13594 H2O 3860 H2O O1 4 -0.847600 15.9994 0 - 13595 H2O 3860 H2O H1 3 0.423800 1.0079 0 - 13596 H2O 3860 H2O H2 3 0.423800 1.0079 0 - 13597 H2O 3861 H2O O1 4 -0.847600 15.9994 0 - 13598 H2O 3861 H2O H1 3 0.423800 1.0079 0 - 13599 H2O 3861 H2O H2 3 0.423800 1.0079 0 - 13600 H2O 3862 H2O O1 4 -0.847600 15.9994 0 - 13601 H2O 3862 H2O H1 3 0.423800 1.0079 0 - 13602 H2O 3862 H2O H2 3 0.423800 1.0079 0 - 13603 H2O 3863 H2O O1 4 -0.847600 15.9994 0 - 13604 H2O 3863 H2O H1 3 0.423800 1.0079 0 - 13605 H2O 3863 H2O H2 3 0.423800 1.0079 0 - 13606 H2O 3864 H2O O1 4 -0.847600 15.9994 0 - 13607 H2O 3864 H2O H1 3 0.423800 1.0079 0 - 13608 H2O 3864 H2O H2 3 0.423800 1.0079 0 - 13609 H2O 3865 H2O O1 4 -0.847600 15.9994 0 - 13610 H2O 3865 H2O H1 3 0.423800 1.0079 0 - 13611 H2O 3865 H2O H2 3 0.423800 1.0079 0 - 13612 H2O 3866 H2O O1 4 -0.847600 15.9994 0 - 13613 H2O 3866 H2O H1 3 0.423800 1.0079 0 - 13614 H2O 3866 H2O H2 3 0.423800 1.0079 0 - 13615 H2O 3867 H2O O1 4 -0.847600 15.9994 0 - 13616 H2O 3867 H2O H1 3 0.423800 1.0079 0 - 13617 H2O 3867 H2O H2 3 0.423800 1.0079 0 - 13618 H2O 3868 H2O O1 4 -0.847600 15.9994 0 - 13619 H2O 3868 H2O H1 3 0.423800 1.0079 0 - 13620 H2O 3868 H2O H2 3 0.423800 1.0079 0 - 13621 H2O 3869 H2O O1 4 -0.847600 15.9994 0 - 13622 H2O 3869 H2O H1 3 0.423800 1.0079 0 - 13623 H2O 3869 H2O H2 3 0.423800 1.0079 0 - 13624 H2O 3870 H2O O1 4 -0.847600 15.9994 0 - 13625 H2O 3870 H2O H1 3 0.423800 1.0079 0 - 13626 H2O 3870 H2O H2 3 0.423800 1.0079 0 - 13627 H2O 3871 H2O O1 4 -0.847600 15.9994 0 - 13628 H2O 3871 H2O H1 3 0.423800 1.0079 0 - 13629 H2O 3871 H2O H2 3 0.423800 1.0079 0 - 13630 H2O 3872 H2O O1 4 -0.847600 15.9994 0 - 13631 H2O 3872 H2O H1 3 0.423800 1.0079 0 - 13632 H2O 3872 H2O H2 3 0.423800 1.0079 0 - 13633 H2O 3873 H2O O1 4 -0.847600 15.9994 0 - 13634 H2O 3873 H2O H1 3 0.423800 1.0079 0 - 13635 H2O 3873 H2O H2 3 0.423800 1.0079 0 - 13636 H2O 3874 H2O O1 4 -0.847600 15.9994 0 - 13637 H2O 3874 H2O H1 3 0.423800 1.0079 0 - 13638 H2O 3874 H2O H2 3 0.423800 1.0079 0 - 13639 H2O 3875 H2O O1 4 -0.847600 15.9994 0 - 13640 H2O 3875 H2O H1 3 0.423800 1.0079 0 - 13641 H2O 3875 H2O H2 3 0.423800 1.0079 0 - 13642 H2O 3876 H2O O1 4 -0.847600 15.9994 0 - 13643 H2O 3876 H2O H1 3 0.423800 1.0079 0 - 13644 H2O 3876 H2O H2 3 0.423800 1.0079 0 - 13645 H2O 3877 H2O O1 4 -0.847600 15.9994 0 - 13646 H2O 3877 H2O H1 3 0.423800 1.0079 0 - 13647 H2O 3877 H2O H2 3 0.423800 1.0079 0 - 13648 H2O 3878 H2O O1 4 -0.847600 15.9994 0 - 13649 H2O 3878 H2O H1 3 0.423800 1.0079 0 - 13650 H2O 3878 H2O H2 3 0.423800 1.0079 0 - 13651 H2O 3879 H2O O1 4 -0.847600 15.9994 0 - 13652 H2O 3879 H2O H1 3 0.423800 1.0079 0 - 13653 H2O 3879 H2O H2 3 0.423800 1.0079 0 - 13654 H2O 3880 H2O O1 4 -0.847600 15.9994 0 - 13655 H2O 3880 H2O H1 3 0.423800 1.0079 0 - 13656 H2O 3880 H2O H2 3 0.423800 1.0079 0 - 13657 H2O 3881 H2O O1 4 -0.847600 15.9994 0 - 13658 H2O 3881 H2O H1 3 0.423800 1.0079 0 - 13659 H2O 3881 H2O H2 3 0.423800 1.0079 0 - 13660 H2O 3882 H2O O1 4 -0.847600 15.9994 0 - 13661 H2O 3882 H2O H1 3 0.423800 1.0079 0 - 13662 H2O 3882 H2O H2 3 0.423800 1.0079 0 - 13663 H2O 3883 H2O O1 4 -0.847600 15.9994 0 - 13664 H2O 3883 H2O H1 3 0.423800 1.0079 0 - 13665 H2O 3883 H2O H2 3 0.423800 1.0079 0 - 13666 H2O 3884 H2O O1 4 -0.847600 15.9994 0 - 13667 H2O 3884 H2O H1 3 0.423800 1.0079 0 - 13668 H2O 3884 H2O H2 3 0.423800 1.0079 0 - 13669 H2O 3885 H2O O1 4 -0.847600 15.9994 0 - 13670 H2O 3885 H2O H1 3 0.423800 1.0079 0 - 13671 H2O 3885 H2O H2 3 0.423800 1.0079 0 - 13672 H2O 3886 H2O O1 4 -0.847600 15.9994 0 - 13673 H2O 3886 H2O H1 3 0.423800 1.0079 0 - 13674 H2O 3886 H2O H2 3 0.423800 1.0079 0 - 13675 H2O 3887 H2O O1 4 -0.847600 15.9994 0 - 13676 H2O 3887 H2O H1 3 0.423800 1.0079 0 - 13677 H2O 3887 H2O H2 3 0.423800 1.0079 0 - 13678 H2O 3888 H2O O1 4 -0.847600 15.9994 0 - 13679 H2O 3888 H2O H1 3 0.423800 1.0079 0 - 13680 H2O 3888 H2O H2 3 0.423800 1.0079 0 - 13681 H2O 3889 H2O O1 4 -0.847600 15.9994 0 - 13682 H2O 3889 H2O H1 3 0.423800 1.0079 0 - 13683 H2O 3889 H2O H2 3 0.423800 1.0079 0 - 13684 H2O 3890 H2O O1 4 -0.847600 15.9994 0 - 13685 H2O 3890 H2O H1 3 0.423800 1.0079 0 - 13686 H2O 3890 H2O H2 3 0.423800 1.0079 0 - 13687 H2O 3891 H2O O1 4 -0.847600 15.9994 0 - 13688 H2O 3891 H2O H1 3 0.423800 1.0079 0 - 13689 H2O 3891 H2O H2 3 0.423800 1.0079 0 - 13690 H2O 3892 H2O O1 4 -0.847600 15.9994 0 - 13691 H2O 3892 H2O H1 3 0.423800 1.0079 0 - 13692 H2O 3892 H2O H2 3 0.423800 1.0079 0 - 13693 H2O 3893 H2O O1 4 -0.847600 15.9994 0 - 13694 H2O 3893 H2O H1 3 0.423800 1.0079 0 - 13695 H2O 3893 H2O H2 3 0.423800 1.0079 0 - 13696 H2O 3894 H2O O1 4 -0.847600 15.9994 0 - 13697 H2O 3894 H2O H1 3 0.423800 1.0079 0 - 13698 H2O 3894 H2O H2 3 0.423800 1.0079 0 - 13699 H2O 3895 H2O O1 4 -0.847600 15.9994 0 - 13700 H2O 3895 H2O H1 3 0.423800 1.0079 0 - 13701 H2O 3895 H2O H2 3 0.423800 1.0079 0 - 13702 H2O 3896 H2O O1 4 -0.847600 15.9994 0 - 13703 H2O 3896 H2O H1 3 0.423800 1.0079 0 - 13704 H2O 3896 H2O H2 3 0.423800 1.0079 0 - 13705 H2O 3897 H2O O1 4 -0.847600 15.9994 0 - 13706 H2O 3897 H2O H1 3 0.423800 1.0079 0 - 13707 H2O 3897 H2O H2 3 0.423800 1.0079 0 - 13708 H2O 3898 H2O O1 4 -0.847600 15.9994 0 - 13709 H2O 3898 H2O H1 3 0.423800 1.0079 0 - 13710 H2O 3898 H2O H2 3 0.423800 1.0079 0 - 13711 H2O 3899 H2O O1 4 -0.847600 15.9994 0 - 13712 H2O 3899 H2O H1 3 0.423800 1.0079 0 - 13713 H2O 3899 H2O H2 3 0.423800 1.0079 0 - 13714 H2O 3900 H2O O1 4 -0.847600 15.9994 0 - 13715 H2O 3900 H2O H1 3 0.423800 1.0079 0 - 13716 H2O 3900 H2O H2 3 0.423800 1.0079 0 - 13717 H2O 3901 H2O O1 4 -0.847600 15.9994 0 - 13718 H2O 3901 H2O H1 3 0.423800 1.0079 0 - 13719 H2O 3901 H2O H2 3 0.423800 1.0079 0 - 13720 H2O 3902 H2O O1 4 -0.847600 15.9994 0 - 13721 H2O 3902 H2O H1 3 0.423800 1.0079 0 - 13722 H2O 3902 H2O H2 3 0.423800 1.0079 0 - 13723 H2O 3903 H2O O1 4 -0.847600 15.9994 0 - 13724 H2O 3903 H2O H1 3 0.423800 1.0079 0 - 13725 H2O 3903 H2O H2 3 0.423800 1.0079 0 - 13726 H2O 3904 H2O O1 4 -0.847600 15.9994 0 - 13727 H2O 3904 H2O H1 3 0.423800 1.0079 0 - 13728 H2O 3904 H2O H2 3 0.423800 1.0079 0 - 13729 H2O 3905 H2O O1 4 -0.847600 15.9994 0 - 13730 H2O 3905 H2O H1 3 0.423800 1.0079 0 - 13731 H2O 3905 H2O H2 3 0.423800 1.0079 0 - 13732 H2O 3906 H2O O1 4 -0.847600 15.9994 0 - 13733 H2O 3906 H2O H1 3 0.423800 1.0079 0 - 13734 H2O 3906 H2O H2 3 0.423800 1.0079 0 - 13735 H2O 3907 H2O O1 4 -0.847600 15.9994 0 - 13736 H2O 3907 H2O H1 3 0.423800 1.0079 0 - 13737 H2O 3907 H2O H2 3 0.423800 1.0079 0 - 13738 H2O 3908 H2O O1 4 -0.847600 15.9994 0 - 13739 H2O 3908 H2O H1 3 0.423800 1.0079 0 - 13740 H2O 3908 H2O H2 3 0.423800 1.0079 0 - 13741 H2O 3909 H2O O1 4 -0.847600 15.9994 0 - 13742 H2O 3909 H2O H1 3 0.423800 1.0079 0 - 13743 H2O 3909 H2O H2 3 0.423800 1.0079 0 - 13744 H2O 3910 H2O O1 4 -0.847600 15.9994 0 - 13745 H2O 3910 H2O H1 3 0.423800 1.0079 0 - 13746 H2O 3910 H2O H2 3 0.423800 1.0079 0 - 13747 H2O 3911 H2O O1 4 -0.847600 15.9994 0 - 13748 H2O 3911 H2O H1 3 0.423800 1.0079 0 - 13749 H2O 3911 H2O H2 3 0.423800 1.0079 0 - 13750 H2O 3912 H2O O1 4 -0.847600 15.9994 0 - 13751 H2O 3912 H2O H1 3 0.423800 1.0079 0 - 13752 H2O 3912 H2O H2 3 0.423800 1.0079 0 - 13753 H2O 3913 H2O O1 4 -0.847600 15.9994 0 - 13754 H2O 3913 H2O H1 3 0.423800 1.0079 0 - 13755 H2O 3913 H2O H2 3 0.423800 1.0079 0 - 13756 H2O 3914 H2O O1 4 -0.847600 15.9994 0 - 13757 H2O 3914 H2O H1 3 0.423800 1.0079 0 - 13758 H2O 3914 H2O H2 3 0.423800 1.0079 0 - 13759 H2O 3915 H2O O1 4 -0.847600 15.9994 0 - 13760 H2O 3915 H2O H1 3 0.423800 1.0079 0 - 13761 H2O 3915 H2O H2 3 0.423800 1.0079 0 - 13762 H2O 3916 H2O O1 4 -0.847600 15.9994 0 - 13763 H2O 3916 H2O H1 3 0.423800 1.0079 0 - 13764 H2O 3916 H2O H2 3 0.423800 1.0079 0 - 13765 H2O 3917 H2O O1 4 -0.847600 15.9994 0 - 13766 H2O 3917 H2O H1 3 0.423800 1.0079 0 - 13767 H2O 3917 H2O H2 3 0.423800 1.0079 0 - 13768 H2O 3918 H2O O1 4 -0.847600 15.9994 0 - 13769 H2O 3918 H2O H1 3 0.423800 1.0079 0 - 13770 H2O 3918 H2O H2 3 0.423800 1.0079 0 - 13771 H2O 3919 H2O O1 4 -0.847600 15.9994 0 - 13772 H2O 3919 H2O H1 3 0.423800 1.0079 0 - 13773 H2O 3919 H2O H2 3 0.423800 1.0079 0 - 13774 H2O 3920 H2O O1 4 -0.847600 15.9994 0 - 13775 H2O 3920 H2O H1 3 0.423800 1.0079 0 - 13776 H2O 3920 H2O H2 3 0.423800 1.0079 0 - 13777 H2O 3921 H2O O1 4 -0.847600 15.9994 0 - 13778 H2O 3921 H2O H1 3 0.423800 1.0079 0 - 13779 H2O 3921 H2O H2 3 0.423800 1.0079 0 - 13780 H2O 3922 H2O O1 4 -0.847600 15.9994 0 - 13781 H2O 3922 H2O H1 3 0.423800 1.0079 0 - 13782 H2O 3922 H2O H2 3 0.423800 1.0079 0 - 13783 H2O 3923 H2O O1 4 -0.847600 15.9994 0 - 13784 H2O 3923 H2O H1 3 0.423800 1.0079 0 - 13785 H2O 3923 H2O H2 3 0.423800 1.0079 0 - 13786 H2O 3924 H2O O1 4 -0.847600 15.9994 0 - 13787 H2O 3924 H2O H1 3 0.423800 1.0079 0 - 13788 H2O 3924 H2O H2 3 0.423800 1.0079 0 - 13789 H2O 3925 H2O O1 4 -0.847600 15.9994 0 - 13790 H2O 3925 H2O H1 3 0.423800 1.0079 0 - 13791 H2O 3925 H2O H2 3 0.423800 1.0079 0 - 13792 H2O 3926 H2O O1 4 -0.847600 15.9994 0 - 13793 H2O 3926 H2O H1 3 0.423800 1.0079 0 - 13794 H2O 3926 H2O H2 3 0.423800 1.0079 0 - 13795 H2O 3927 H2O O1 4 -0.847600 15.9994 0 - 13796 H2O 3927 H2O H1 3 0.423800 1.0079 0 - 13797 H2O 3927 H2O H2 3 0.423800 1.0079 0 - 13798 H2O 3928 H2O O1 4 -0.847600 15.9994 0 - 13799 H2O 3928 H2O H1 3 0.423800 1.0079 0 - 13800 H2O 3928 H2O H2 3 0.423800 1.0079 0 - 13801 H2O 3929 H2O O1 4 -0.847600 15.9994 0 - 13802 H2O 3929 H2O H1 3 0.423800 1.0079 0 - 13803 H2O 3929 H2O H2 3 0.423800 1.0079 0 - 13804 H2O 3930 H2O O1 4 -0.847600 15.9994 0 - 13805 H2O 3930 H2O H1 3 0.423800 1.0079 0 - 13806 H2O 3930 H2O H2 3 0.423800 1.0079 0 - 13807 H2O 3931 H2O O1 4 -0.847600 15.9994 0 - 13808 H2O 3931 H2O H1 3 0.423800 1.0079 0 - 13809 H2O 3931 H2O H2 3 0.423800 1.0079 0 - 13810 H2O 3932 H2O O1 4 -0.847600 15.9994 0 - 13811 H2O 3932 H2O H1 3 0.423800 1.0079 0 - 13812 H2O 3932 H2O H2 3 0.423800 1.0079 0 - 13813 H2O 3933 H2O O1 4 -0.847600 15.9994 0 - 13814 H2O 3933 H2O H1 3 0.423800 1.0079 0 - 13815 H2O 3933 H2O H2 3 0.423800 1.0079 0 - 13816 H2O 3934 H2O O1 4 -0.847600 15.9994 0 - 13817 H2O 3934 H2O H1 3 0.423800 1.0079 0 - 13818 H2O 3934 H2O H2 3 0.423800 1.0079 0 - 13819 H2O 3935 H2O O1 4 -0.847600 15.9994 0 - 13820 H2O 3935 H2O H1 3 0.423800 1.0079 0 - 13821 H2O 3935 H2O H2 3 0.423800 1.0079 0 - 13822 H2O 3936 H2O O1 4 -0.847600 15.9994 0 - 13823 H2O 3936 H2O H1 3 0.423800 1.0079 0 - 13824 H2O 3936 H2O H2 3 0.423800 1.0079 0 - 13825 H2O 3937 H2O O1 4 -0.847600 15.9994 0 - 13826 H2O 3937 H2O H1 3 0.423800 1.0079 0 - 13827 H2O 3937 H2O H2 3 0.423800 1.0079 0 - 13828 H2O 3938 H2O O1 4 -0.847600 15.9994 0 - 13829 H2O 3938 H2O H1 3 0.423800 1.0079 0 - 13830 H2O 3938 H2O H2 3 0.423800 1.0079 0 - 13831 H2O 3939 H2O O1 4 -0.847600 15.9994 0 - 13832 H2O 3939 H2O H1 3 0.423800 1.0079 0 - 13833 H2O 3939 H2O H2 3 0.423800 1.0079 0 - 13834 H2O 3940 H2O O1 4 -0.847600 15.9994 0 - 13835 H2O 3940 H2O H1 3 0.423800 1.0079 0 - 13836 H2O 3940 H2O H2 3 0.423800 1.0079 0 - 13837 H2O 3941 H2O O1 4 -0.847600 15.9994 0 - 13838 H2O 3941 H2O H1 3 0.423800 1.0079 0 - 13839 H2O 3941 H2O H2 3 0.423800 1.0079 0 - 13840 H2O 3942 H2O O1 4 -0.847600 15.9994 0 - 13841 H2O 3942 H2O H1 3 0.423800 1.0079 0 - 13842 H2O 3942 H2O H2 3 0.423800 1.0079 0 - 13843 H2O 3943 H2O O1 4 -0.847600 15.9994 0 - 13844 H2O 3943 H2O H1 3 0.423800 1.0079 0 - 13845 H2O 3943 H2O H2 3 0.423800 1.0079 0 - 13846 H2O 3944 H2O O1 4 -0.847600 15.9994 0 - 13847 H2O 3944 H2O H1 3 0.423800 1.0079 0 - 13848 H2O 3944 H2O H2 3 0.423800 1.0079 0 - 13849 H2O 3945 H2O O1 4 -0.847600 15.9994 0 - 13850 H2O 3945 H2O H1 3 0.423800 1.0079 0 - 13851 H2O 3945 H2O H2 3 0.423800 1.0079 0 - 13852 H2O 3946 H2O O1 4 -0.847600 15.9994 0 - 13853 H2O 3946 H2O H1 3 0.423800 1.0079 0 - 13854 H2O 3946 H2O H2 3 0.423800 1.0079 0 - 13855 H2O 3947 H2O O1 4 -0.847600 15.9994 0 - 13856 H2O 3947 H2O H1 3 0.423800 1.0079 0 - 13857 H2O 3947 H2O H2 3 0.423800 1.0079 0 - 13858 H2O 3948 H2O O1 4 -0.847600 15.9994 0 - 13859 H2O 3948 H2O H1 3 0.423800 1.0079 0 - 13860 H2O 3948 H2O H2 3 0.423800 1.0079 0 - 13861 H2O 3949 H2O O1 4 -0.847600 15.9994 0 - 13862 H2O 3949 H2O H1 3 0.423800 1.0079 0 - 13863 H2O 3949 H2O H2 3 0.423800 1.0079 0 - 13864 H2O 3950 H2O O1 4 -0.847600 15.9994 0 - 13865 H2O 3950 H2O H1 3 0.423800 1.0079 0 - 13866 H2O 3950 H2O H2 3 0.423800 1.0079 0 - 13867 H2O 3951 H2O O1 4 -0.847600 15.9994 0 - 13868 H2O 3951 H2O H1 3 0.423800 1.0079 0 - 13869 H2O 3951 H2O H2 3 0.423800 1.0079 0 - 13870 H2O 3952 H2O O1 4 -0.847600 15.9994 0 - 13871 H2O 3952 H2O H1 3 0.423800 1.0079 0 - 13872 H2O 3952 H2O H2 3 0.423800 1.0079 0 - 13873 H2O 3953 H2O O1 4 -0.847600 15.9994 0 - 13874 H2O 3953 H2O H1 3 0.423800 1.0079 0 - 13875 H2O 3953 H2O H2 3 0.423800 1.0079 0 - 13876 H2O 3954 H2O O1 4 -0.847600 15.9994 0 - 13877 H2O 3954 H2O H1 3 0.423800 1.0079 0 - 13878 H2O 3954 H2O H2 3 0.423800 1.0079 0 - 13879 H2O 3955 H2O O1 4 -0.847600 15.9994 0 - 13880 H2O 3955 H2O H1 3 0.423800 1.0079 0 - 13881 H2O 3955 H2O H2 3 0.423800 1.0079 0 - 13882 H2O 3956 H2O O1 4 -0.847600 15.9994 0 - 13883 H2O 3956 H2O H1 3 0.423800 1.0079 0 - 13884 H2O 3956 H2O H2 3 0.423800 1.0079 0 - 13885 H2O 3957 H2O O1 4 -0.847600 15.9994 0 - 13886 H2O 3957 H2O H1 3 0.423800 1.0079 0 - 13887 H2O 3957 H2O H2 3 0.423800 1.0079 0 - 13888 H2O 3958 H2O O1 4 -0.847600 15.9994 0 - 13889 H2O 3958 H2O H1 3 0.423800 1.0079 0 - 13890 H2O 3958 H2O H2 3 0.423800 1.0079 0 - 13891 H2O 3959 H2O O1 4 -0.847600 15.9994 0 - 13892 H2O 3959 H2O H1 3 0.423800 1.0079 0 - 13893 H2O 3959 H2O H2 3 0.423800 1.0079 0 - 13894 H2O 3960 H2O O1 4 -0.847600 15.9994 0 - 13895 H2O 3960 H2O H1 3 0.423800 1.0079 0 - 13896 H2O 3960 H2O H2 3 0.423800 1.0079 0 - 13897 H2O 3961 H2O O1 4 -0.847600 15.9994 0 - 13898 H2O 3961 H2O H1 3 0.423800 1.0079 0 - 13899 H2O 3961 H2O H2 3 0.423800 1.0079 0 - 13900 H2O 3962 H2O O1 4 -0.847600 15.9994 0 - 13901 H2O 3962 H2O H1 3 0.423800 1.0079 0 - 13902 H2O 3962 H2O H2 3 0.423800 1.0079 0 - 13903 H2O 3963 H2O O1 4 -0.847600 15.9994 0 - 13904 H2O 3963 H2O H1 3 0.423800 1.0079 0 - 13905 H2O 3963 H2O H2 3 0.423800 1.0079 0 - 13906 H2O 3964 H2O O1 4 -0.847600 15.9994 0 - 13907 H2O 3964 H2O H1 3 0.423800 1.0079 0 - 13908 H2O 3964 H2O H2 3 0.423800 1.0079 0 - 13909 H2O 3965 H2O O1 4 -0.847600 15.9994 0 - 13910 H2O 3965 H2O H1 3 0.423800 1.0079 0 - 13911 H2O 3965 H2O H2 3 0.423800 1.0079 0 - 13912 H2O 3966 H2O O1 4 -0.847600 15.9994 0 - 13913 H2O 3966 H2O H1 3 0.423800 1.0079 0 - 13914 H2O 3966 H2O H2 3 0.423800 1.0079 0 - 13915 H2O 3967 H2O O1 4 -0.847600 15.9994 0 - 13916 H2O 3967 H2O H1 3 0.423800 1.0079 0 - 13917 H2O 3967 H2O H2 3 0.423800 1.0079 0 - 13918 H2O 3968 H2O O1 4 -0.847600 15.9994 0 - 13919 H2O 3968 H2O H1 3 0.423800 1.0079 0 - 13920 H2O 3968 H2O H2 3 0.423800 1.0079 0 - 13921 H2O 3969 H2O O1 4 -0.847600 15.9994 0 - 13922 H2O 3969 H2O H1 3 0.423800 1.0079 0 - 13923 H2O 3969 H2O H2 3 0.423800 1.0079 0 - 13924 H2O 3970 H2O O1 4 -0.847600 15.9994 0 - 13925 H2O 3970 H2O H1 3 0.423800 1.0079 0 - 13926 H2O 3970 H2O H2 3 0.423800 1.0079 0 - 13927 H2O 3971 H2O O1 4 -0.847600 15.9994 0 - 13928 H2O 3971 H2O H1 3 0.423800 1.0079 0 - 13929 H2O 3971 H2O H2 3 0.423800 1.0079 0 - 13930 H2O 3972 H2O O1 4 -0.847600 15.9994 0 - 13931 H2O 3972 H2O H1 3 0.423800 1.0079 0 - 13932 H2O 3972 H2O H2 3 0.423800 1.0079 0 - 13933 H2O 3973 H2O O1 4 -0.847600 15.9994 0 - 13934 H2O 3973 H2O H1 3 0.423800 1.0079 0 - 13935 H2O 3973 H2O H2 3 0.423800 1.0079 0 - 13936 H2O 3974 H2O O1 4 -0.847600 15.9994 0 - 13937 H2O 3974 H2O H1 3 0.423800 1.0079 0 - 13938 H2O 3974 H2O H2 3 0.423800 1.0079 0 - 13939 H2O 3975 H2O O1 4 -0.847600 15.9994 0 - 13940 H2O 3975 H2O H1 3 0.423800 1.0079 0 - 13941 H2O 3975 H2O H2 3 0.423800 1.0079 0 - 13942 H2O 3976 H2O O1 4 -0.847600 15.9994 0 - 13943 H2O 3976 H2O H1 3 0.423800 1.0079 0 - 13944 H2O 3976 H2O H2 3 0.423800 1.0079 0 - 13945 H2O 3977 H2O O1 4 -0.847600 15.9994 0 - 13946 H2O 3977 H2O H1 3 0.423800 1.0079 0 - 13947 H2O 3977 H2O H2 3 0.423800 1.0079 0 - 13948 H2O 3978 H2O O1 4 -0.847600 15.9994 0 - 13949 H2O 3978 H2O H1 3 0.423800 1.0079 0 - 13950 H2O 3978 H2O H2 3 0.423800 1.0079 0 - 13951 H2O 3979 H2O O1 4 -0.847600 15.9994 0 - 13952 H2O 3979 H2O H1 3 0.423800 1.0079 0 - 13953 H2O 3979 H2O H2 3 0.423800 1.0079 0 - 13954 H2O 3980 H2O O1 4 -0.847600 15.9994 0 - 13955 H2O 3980 H2O H1 3 0.423800 1.0079 0 - 13956 H2O 3980 H2O H2 3 0.423800 1.0079 0 - 13957 H2O 3981 H2O O1 4 -0.847600 15.9994 0 - 13958 H2O 3981 H2O H1 3 0.423800 1.0079 0 - 13959 H2O 3981 H2O H2 3 0.423800 1.0079 0 - 13960 H2O 3982 H2O O1 4 -0.847600 15.9994 0 - 13961 H2O 3982 H2O H1 3 0.423800 1.0079 0 - 13962 H2O 3982 H2O H2 3 0.423800 1.0079 0 - 13963 H2O 3983 H2O O1 4 -0.847600 15.9994 0 - 13964 H2O 3983 H2O H1 3 0.423800 1.0079 0 - 13965 H2O 3983 H2O H2 3 0.423800 1.0079 0 - 13966 H2O 3984 H2O O1 4 -0.847600 15.9994 0 - 13967 H2O 3984 H2O H1 3 0.423800 1.0079 0 - 13968 H2O 3984 H2O H2 3 0.423800 1.0079 0 - 13969 H2O 3985 H2O O1 4 -0.847600 15.9994 0 - 13970 H2O 3985 H2O H1 3 0.423800 1.0079 0 - 13971 H2O 3985 H2O H2 3 0.423800 1.0079 0 - 13972 H2O 3986 H2O O1 4 -0.847600 15.9994 0 - 13973 H2O 3986 H2O H1 3 0.423800 1.0079 0 - 13974 H2O 3986 H2O H2 3 0.423800 1.0079 0 - 13975 H2O 3987 H2O O1 4 -0.847600 15.9994 0 - 13976 H2O 3987 H2O H1 3 0.423800 1.0079 0 - 13977 H2O 3987 H2O H2 3 0.423800 1.0079 0 - 13978 H2O 3988 H2O O1 4 -0.847600 15.9994 0 - 13979 H2O 3988 H2O H1 3 0.423800 1.0079 0 - 13980 H2O 3988 H2O H2 3 0.423800 1.0079 0 - 13981 H2O 3989 H2O O1 4 -0.847600 15.9994 0 - 13982 H2O 3989 H2O H1 3 0.423800 1.0079 0 - 13983 H2O 3989 H2O H2 3 0.423800 1.0079 0 - 13984 H2O 3990 H2O O1 4 -0.847600 15.9994 0 - 13985 H2O 3990 H2O H1 3 0.423800 1.0079 0 - 13986 H2O 3990 H2O H2 3 0.423800 1.0079 0 - 13987 H2O 3991 H2O O1 4 -0.847600 15.9994 0 - 13988 H2O 3991 H2O H1 3 0.423800 1.0079 0 - 13989 H2O 3991 H2O H2 3 0.423800 1.0079 0 - 13990 H2O 3992 H2O O1 4 -0.847600 15.9994 0 - 13991 H2O 3992 H2O H1 3 0.423800 1.0079 0 - 13992 H2O 3992 H2O H2 3 0.423800 1.0079 0 - 13993 H2O 3993 H2O O1 4 -0.847600 15.9994 0 - 13994 H2O 3993 H2O H1 3 0.423800 1.0079 0 - 13995 H2O 3993 H2O H2 3 0.423800 1.0079 0 - 13996 H2O 3994 H2O O1 4 -0.847600 15.9994 0 - 13997 H2O 3994 H2O H1 3 0.423800 1.0079 0 - 13998 H2O 3994 H2O H2 3 0.423800 1.0079 0 - 13999 H2O 3995 H2O O1 4 -0.847600 15.9994 0 - 14000 H2O 3995 H2O H1 3 0.423800 1.0079 0 - 14001 H2O 3995 H2O H2 3 0.423800 1.0079 0 - 14002 H2O 3996 H2O O1 4 -0.847600 15.9994 0 - 14003 H2O 3996 H2O H1 3 0.423800 1.0079 0 - 14004 H2O 3996 H2O H2 3 0.423800 1.0079 0 - 14005 H2O 3997 H2O O1 4 -0.847600 15.9994 0 - 14006 H2O 3997 H2O H1 3 0.423800 1.0079 0 - 14007 H2O 3997 H2O H2 3 0.423800 1.0079 0 - 14008 H2O 3998 H2O O1 4 -0.847600 15.9994 0 - 14009 H2O 3998 H2O H1 3 0.423800 1.0079 0 - 14010 H2O 3998 H2O H2 3 0.423800 1.0079 0 - 14011 H2O 3999 H2O O1 4 -0.847600 15.9994 0 - 14012 H2O 3999 H2O H1 3 0.423800 1.0079 0 - 14013 H2O 3999 H2O H2 3 0.423800 1.0079 0 - 14014 H2O 4000 H2O O1 4 -0.847600 15.9994 0 - 14015 H2O 4000 H2O H1 3 0.423800 1.0079 0 - 14016 H2O 4000 H2O H2 3 0.423800 1.0079 0 - 14017 H2O 4001 H2O O1 4 -0.847600 15.9994 0 - 14018 H2O 4001 H2O H1 3 0.423800 1.0079 0 - 14019 H2O 4001 H2O H2 3 0.423800 1.0079 0 - 14020 H2O 4002 H2O O1 4 -0.847600 15.9994 0 - 14021 H2O 4002 H2O H1 3 0.423800 1.0079 0 - 14022 H2O 4002 H2O H2 3 0.423800 1.0079 0 - 14023 H2O 4003 H2O O1 4 -0.847600 15.9994 0 - 14024 H2O 4003 H2O H1 3 0.423800 1.0079 0 - 14025 H2O 4003 H2O H2 3 0.423800 1.0079 0 - 14026 H2O 4004 H2O O1 4 -0.847600 15.9994 0 - 14027 H2O 4004 H2O H1 3 0.423800 1.0079 0 - 14028 H2O 4004 H2O H2 3 0.423800 1.0079 0 - 14029 H2O 4005 H2O O1 4 -0.847600 15.9994 0 - 14030 H2O 4005 H2O H1 3 0.423800 1.0079 0 - 14031 H2O 4005 H2O H2 3 0.423800 1.0079 0 - 14032 H2O 4006 H2O O1 4 -0.847600 15.9994 0 - 14033 H2O 4006 H2O H1 3 0.423800 1.0079 0 - 14034 H2O 4006 H2O H2 3 0.423800 1.0079 0 - 14035 H2O 4007 H2O O1 4 -0.847600 15.9994 0 - 14036 H2O 4007 H2O H1 3 0.423800 1.0079 0 - 14037 H2O 4007 H2O H2 3 0.423800 1.0079 0 - 14038 H2O 4008 H2O O1 4 -0.847600 15.9994 0 - 14039 H2O 4008 H2O H1 3 0.423800 1.0079 0 - 14040 H2O 4008 H2O H2 3 0.423800 1.0079 0 - 14041 H2O 4009 H2O O1 4 -0.847600 15.9994 0 - 14042 H2O 4009 H2O H1 3 0.423800 1.0079 0 - 14043 H2O 4009 H2O H2 3 0.423800 1.0079 0 - 14044 H2O 4010 H2O O1 4 -0.847600 15.9994 0 - 14045 H2O 4010 H2O H1 3 0.423800 1.0079 0 - 14046 H2O 4010 H2O H2 3 0.423800 1.0079 0 - 14047 H2O 4011 H2O O1 4 -0.847600 15.9994 0 - 14048 H2O 4011 H2O H1 3 0.423800 1.0079 0 - 14049 H2O 4011 H2O H2 3 0.423800 1.0079 0 - 14050 H2O 4012 H2O O1 4 -0.847600 15.9994 0 - 14051 H2O 4012 H2O H1 3 0.423800 1.0079 0 - 14052 H2O 4012 H2O H2 3 0.423800 1.0079 0 - 14053 H2O 4013 H2O O1 4 -0.847600 15.9994 0 - 14054 H2O 4013 H2O H1 3 0.423800 1.0079 0 - 14055 H2O 4013 H2O H2 3 0.423800 1.0079 0 - 14056 H2O 4014 H2O O1 4 -0.847600 15.9994 0 - 14057 H2O 4014 H2O H1 3 0.423800 1.0079 0 - 14058 H2O 4014 H2O H2 3 0.423800 1.0079 0 - 14059 H2O 4015 H2O O1 4 -0.847600 15.9994 0 - 14060 H2O 4015 H2O H1 3 0.423800 1.0079 0 - 14061 H2O 4015 H2O H2 3 0.423800 1.0079 0 - 14062 H2O 4016 H2O O1 4 -0.847600 15.9994 0 - 14063 H2O 4016 H2O H1 3 0.423800 1.0079 0 - 14064 H2O 4016 H2O H2 3 0.423800 1.0079 0 - 14065 H2O 4017 H2O O1 4 -0.847600 15.9994 0 - 14066 H2O 4017 H2O H1 3 0.423800 1.0079 0 - 14067 H2O 4017 H2O H2 3 0.423800 1.0079 0 - 14068 H2O 4018 H2O O1 4 -0.847600 15.9994 0 - 14069 H2O 4018 H2O H1 3 0.423800 1.0079 0 - 14070 H2O 4018 H2O H2 3 0.423800 1.0079 0 - 14071 H2O 4019 H2O O1 4 -0.847600 15.9994 0 - 14072 H2O 4019 H2O H1 3 0.423800 1.0079 0 - 14073 H2O 4019 H2O H2 3 0.423800 1.0079 0 - 14074 H2O 4020 H2O O1 4 -0.847600 15.9994 0 - 14075 H2O 4020 H2O H1 3 0.423800 1.0079 0 - 14076 H2O 4020 H2O H2 3 0.423800 1.0079 0 - 14077 H2O 4021 H2O O1 4 -0.847600 15.9994 0 - 14078 H2O 4021 H2O H1 3 0.423800 1.0079 0 - 14079 H2O 4021 H2O H2 3 0.423800 1.0079 0 - 14080 H2O 4022 H2O O1 4 -0.847600 15.9994 0 - 14081 H2O 4022 H2O H1 3 0.423800 1.0079 0 - 14082 H2O 4022 H2O H2 3 0.423800 1.0079 0 - 14083 H2O 4023 H2O O1 4 -0.847600 15.9994 0 - 14084 H2O 4023 H2O H1 3 0.423800 1.0079 0 - 14085 H2O 4023 H2O H2 3 0.423800 1.0079 0 - 14086 H2O 4024 H2O O1 4 -0.847600 15.9994 0 - 14087 H2O 4024 H2O H1 3 0.423800 1.0079 0 - 14088 H2O 4024 H2O H2 3 0.423800 1.0079 0 - 14089 H2O 4025 H2O O1 4 -0.847600 15.9994 0 - 14090 H2O 4025 H2O H1 3 0.423800 1.0079 0 - 14091 H2O 4025 H2O H2 3 0.423800 1.0079 0 - 14092 H2O 4026 H2O O1 4 -0.847600 15.9994 0 - 14093 H2O 4026 H2O H1 3 0.423800 1.0079 0 - 14094 H2O 4026 H2O H2 3 0.423800 1.0079 0 - 14095 H2O 4027 H2O O1 4 -0.847600 15.9994 0 - 14096 H2O 4027 H2O H1 3 0.423800 1.0079 0 - 14097 H2O 4027 H2O H2 3 0.423800 1.0079 0 - 14098 H2O 4028 H2O O1 4 -0.847600 15.9994 0 - 14099 H2O 4028 H2O H1 3 0.423800 1.0079 0 - 14100 H2O 4028 H2O H2 3 0.423800 1.0079 0 - 14101 H2O 4029 H2O O1 4 -0.847600 15.9994 0 - 14102 H2O 4029 H2O H1 3 0.423800 1.0079 0 - 14103 H2O 4029 H2O H2 3 0.423800 1.0079 0 - 14104 H2O 4030 H2O O1 4 -0.847600 15.9994 0 - 14105 H2O 4030 H2O H1 3 0.423800 1.0079 0 - 14106 H2O 4030 H2O H2 3 0.423800 1.0079 0 - 14107 H2O 4031 H2O O1 4 -0.847600 15.9994 0 - 14108 H2O 4031 H2O H1 3 0.423800 1.0079 0 - 14109 H2O 4031 H2O H2 3 0.423800 1.0079 0 - 14110 H2O 4032 H2O O1 4 -0.847600 15.9994 0 - 14111 H2O 4032 H2O H1 3 0.423800 1.0079 0 - 14112 H2O 4032 H2O H2 3 0.423800 1.0079 0 - 14113 H2O 4033 H2O O1 4 -0.847600 15.9994 0 - 14114 H2O 4033 H2O H1 3 0.423800 1.0079 0 - 14115 H2O 4033 H2O H2 3 0.423800 1.0079 0 - 14116 H2O 4034 H2O O1 4 -0.847600 15.9994 0 - 14117 H2O 4034 H2O H1 3 0.423800 1.0079 0 - 14118 H2O 4034 H2O H2 3 0.423800 1.0079 0 - 14119 H2O 4035 H2O O1 4 -0.847600 15.9994 0 - 14120 H2O 4035 H2O H1 3 0.423800 1.0079 0 - 14121 H2O 4035 H2O H2 3 0.423800 1.0079 0 - 14122 H2O 4036 H2O O1 4 -0.847600 15.9994 0 - 14123 H2O 4036 H2O H1 3 0.423800 1.0079 0 - 14124 H2O 4036 H2O H2 3 0.423800 1.0079 0 - 14125 H2O 4037 H2O O1 4 -0.847600 15.9994 0 - 14126 H2O 4037 H2O H1 3 0.423800 1.0079 0 - 14127 H2O 4037 H2O H2 3 0.423800 1.0079 0 - 14128 H2O 4038 H2O O1 4 -0.847600 15.9994 0 - 14129 H2O 4038 H2O H1 3 0.423800 1.0079 0 - 14130 H2O 4038 H2O H2 3 0.423800 1.0079 0 - 14131 H2O 4039 H2O O1 4 -0.847600 15.9994 0 - 14132 H2O 4039 H2O H1 3 0.423800 1.0079 0 - 14133 H2O 4039 H2O H2 3 0.423800 1.0079 0 - 14134 H2O 4040 H2O O1 4 -0.847600 15.9994 0 - 14135 H2O 4040 H2O H1 3 0.423800 1.0079 0 - 14136 H2O 4040 H2O H2 3 0.423800 1.0079 0 - 14137 H2O 4041 H2O O1 4 -0.847600 15.9994 0 - 14138 H2O 4041 H2O H1 3 0.423800 1.0079 0 - 14139 H2O 4041 H2O H2 3 0.423800 1.0079 0 - 14140 H2O 4042 H2O O1 4 -0.847600 15.9994 0 - 14141 H2O 4042 H2O H1 3 0.423800 1.0079 0 - 14142 H2O 4042 H2O H2 3 0.423800 1.0079 0 - 14143 H2O 4043 H2O O1 4 -0.847600 15.9994 0 - 14144 H2O 4043 H2O H1 3 0.423800 1.0079 0 - 14145 H2O 4043 H2O H2 3 0.423800 1.0079 0 - 14146 H2O 4044 H2O O1 4 -0.847600 15.9994 0 - 14147 H2O 4044 H2O H1 3 0.423800 1.0079 0 - 14148 H2O 4044 H2O H2 3 0.423800 1.0079 0 - 14149 H2O 4045 H2O O1 4 -0.847600 15.9994 0 - 14150 H2O 4045 H2O H1 3 0.423800 1.0079 0 - 14151 H2O 4045 H2O H2 3 0.423800 1.0079 0 - 14152 H2O 4046 H2O O1 4 -0.847600 15.9994 0 - 14153 H2O 4046 H2O H1 3 0.423800 1.0079 0 - 14154 H2O 4046 H2O H2 3 0.423800 1.0079 0 - 14155 H2O 4047 H2O O1 4 -0.847600 15.9994 0 - 14156 H2O 4047 H2O H1 3 0.423800 1.0079 0 - 14157 H2O 4047 H2O H2 3 0.423800 1.0079 0 - 14158 H2O 4048 H2O O1 4 -0.847600 15.9994 0 - 14159 H2O 4048 H2O H1 3 0.423800 1.0079 0 - 14160 H2O 4048 H2O H2 3 0.423800 1.0079 0 - 14161 H2O 4049 H2O O1 4 -0.847600 15.9994 0 - 14162 H2O 4049 H2O H1 3 0.423800 1.0079 0 - 14163 H2O 4049 H2O H2 3 0.423800 1.0079 0 - 14164 H2O 4050 H2O O1 4 -0.847600 15.9994 0 - 14165 H2O 4050 H2O H1 3 0.423800 1.0079 0 - 14166 H2O 4050 H2O H2 3 0.423800 1.0079 0 - 14167 H2O 4051 H2O O1 4 -0.847600 15.9994 0 - 14168 H2O 4051 H2O H1 3 0.423800 1.0079 0 - 14169 H2O 4051 H2O H2 3 0.423800 1.0079 0 - 14170 H2O 4052 H2O O1 4 -0.847600 15.9994 0 - 14171 H2O 4052 H2O H1 3 0.423800 1.0079 0 - 14172 H2O 4052 H2O H2 3 0.423800 1.0079 0 - 14173 H2O 4053 H2O O1 4 -0.847600 15.9994 0 - 14174 H2O 4053 H2O H1 3 0.423800 1.0079 0 - 14175 H2O 4053 H2O H2 3 0.423800 1.0079 0 - 14176 H2O 4054 H2O O1 4 -0.847600 15.9994 0 - 14177 H2O 4054 H2O H1 3 0.423800 1.0079 0 - 14178 H2O 4054 H2O H2 3 0.423800 1.0079 0 - 14179 H2O 4055 H2O O1 4 -0.847600 15.9994 0 - 14180 H2O 4055 H2O H1 3 0.423800 1.0079 0 - 14181 H2O 4055 H2O H2 3 0.423800 1.0079 0 - 14182 H2O 4056 H2O O1 4 -0.847600 15.9994 0 - 14183 H2O 4056 H2O H1 3 0.423800 1.0079 0 - 14184 H2O 4056 H2O H2 3 0.423800 1.0079 0 - 14185 H2O 4057 H2O O1 4 -0.847600 15.9994 0 - 14186 H2O 4057 H2O H1 3 0.423800 1.0079 0 - 14187 H2O 4057 H2O H2 3 0.423800 1.0079 0 - 14188 H2O 4058 H2O O1 4 -0.847600 15.9994 0 - 14189 H2O 4058 H2O H1 3 0.423800 1.0079 0 - 14190 H2O 4058 H2O H2 3 0.423800 1.0079 0 - 14191 H2O 4059 H2O O1 4 -0.847600 15.9994 0 - 14192 H2O 4059 H2O H1 3 0.423800 1.0079 0 - 14193 H2O 4059 H2O H2 3 0.423800 1.0079 0 - 14194 H2O 4060 H2O O1 4 -0.847600 15.9994 0 - 14195 H2O 4060 H2O H1 3 0.423800 1.0079 0 - 14196 H2O 4060 H2O H2 3 0.423800 1.0079 0 - 14197 H2O 4061 H2O O1 4 -0.847600 15.9994 0 - 14198 H2O 4061 H2O H1 3 0.423800 1.0079 0 - 14199 H2O 4061 H2O H2 3 0.423800 1.0079 0 - 14200 H2O 4062 H2O O1 4 -0.847600 15.9994 0 - 14201 H2O 4062 H2O H1 3 0.423800 1.0079 0 - 14202 H2O 4062 H2O H2 3 0.423800 1.0079 0 - 14203 H2O 4063 H2O O1 4 -0.847600 15.9994 0 - 14204 H2O 4063 H2O H1 3 0.423800 1.0079 0 - 14205 H2O 4063 H2O H2 3 0.423800 1.0079 0 - 14206 H2O 4064 H2O O1 4 -0.847600 15.9994 0 - 14207 H2O 4064 H2O H1 3 0.423800 1.0079 0 - 14208 H2O 4064 H2O H2 3 0.423800 1.0079 0 - 14209 H2O 4065 H2O O1 4 -0.847600 15.9994 0 - 14210 H2O 4065 H2O H1 3 0.423800 1.0079 0 - 14211 H2O 4065 H2O H2 3 0.423800 1.0079 0 - 14212 H2O 4066 H2O O1 4 -0.847600 15.9994 0 - 14213 H2O 4066 H2O H1 3 0.423800 1.0079 0 - 14214 H2O 4066 H2O H2 3 0.423800 1.0079 0 - 14215 H2O 4067 H2O O1 4 -0.847600 15.9994 0 - 14216 H2O 4067 H2O H1 3 0.423800 1.0079 0 - 14217 H2O 4067 H2O H2 3 0.423800 1.0079 0 - 14218 H2O 4068 H2O O1 4 -0.847600 15.9994 0 - 14219 H2O 4068 H2O H1 3 0.423800 1.0079 0 - 14220 H2O 4068 H2O H2 3 0.423800 1.0079 0 - 14221 H2O 4069 H2O O1 4 -0.847600 15.9994 0 - 14222 H2O 4069 H2O H1 3 0.423800 1.0079 0 - 14223 H2O 4069 H2O H2 3 0.423800 1.0079 0 - 14224 H2O 4070 H2O O1 4 -0.847600 15.9994 0 - 14225 H2O 4070 H2O H1 3 0.423800 1.0079 0 - 14226 H2O 4070 H2O H2 3 0.423800 1.0079 0 - 14227 H2O 4071 H2O O1 4 -0.847600 15.9994 0 - 14228 H2O 4071 H2O H1 3 0.423800 1.0079 0 - 14229 H2O 4071 H2O H2 3 0.423800 1.0079 0 - 14230 H2O 4072 H2O O1 4 -0.847600 15.9994 0 - 14231 H2O 4072 H2O H1 3 0.423800 1.0079 0 - 14232 H2O 4072 H2O H2 3 0.423800 1.0079 0 - 14233 H2O 4073 H2O O1 4 -0.847600 15.9994 0 - 14234 H2O 4073 H2O H1 3 0.423800 1.0079 0 - 14235 H2O 4073 H2O H2 3 0.423800 1.0079 0 - 14236 H2O 4074 H2O O1 4 -0.847600 15.9994 0 - 14237 H2O 4074 H2O H1 3 0.423800 1.0079 0 - 14238 H2O 4074 H2O H2 3 0.423800 1.0079 0 - 14239 H2O 4075 H2O O1 4 -0.847600 15.9994 0 - 14240 H2O 4075 H2O H1 3 0.423800 1.0079 0 - 14241 H2O 4075 H2O H2 3 0.423800 1.0079 0 - 14242 H2O 4076 H2O O1 4 -0.847600 15.9994 0 - 14243 H2O 4076 H2O H1 3 0.423800 1.0079 0 - 14244 H2O 4076 H2O H2 3 0.423800 1.0079 0 - 14245 H2O 4077 H2O O1 4 -0.847600 15.9994 0 - 14246 H2O 4077 H2O H1 3 0.423800 1.0079 0 - 14247 H2O 4077 H2O H2 3 0.423800 1.0079 0 - 14248 H2O 4078 H2O O1 4 -0.847600 15.9994 0 - 14249 H2O 4078 H2O H1 3 0.423800 1.0079 0 - 14250 H2O 4078 H2O H2 3 0.423800 1.0079 0 - 14251 H2O 4079 H2O O1 4 -0.847600 15.9994 0 - 14252 H2O 4079 H2O H1 3 0.423800 1.0079 0 - 14253 H2O 4079 H2O H2 3 0.423800 1.0079 0 - 14254 H2O 4080 H2O O1 4 -0.847600 15.9994 0 - 14255 H2O 4080 H2O H1 3 0.423800 1.0079 0 - 14256 H2O 4080 H2O H2 3 0.423800 1.0079 0 - 14257 H2O 4081 H2O O1 4 -0.847600 15.9994 0 - 14258 H2O 4081 H2O H1 3 0.423800 1.0079 0 - 14259 H2O 4081 H2O H2 3 0.423800 1.0079 0 - 14260 H2O 4082 H2O O1 4 -0.847600 15.9994 0 - 14261 H2O 4082 H2O H1 3 0.423800 1.0079 0 - 14262 H2O 4082 H2O H2 3 0.423800 1.0079 0 - 14263 H2O 4083 H2O O1 4 -0.847600 15.9994 0 - 14264 H2O 4083 H2O H1 3 0.423800 1.0079 0 - 14265 H2O 4083 H2O H2 3 0.423800 1.0079 0 - 14266 H2O 4084 H2O O1 4 -0.847600 15.9994 0 - 14267 H2O 4084 H2O H1 3 0.423800 1.0079 0 - 14268 H2O 4084 H2O H2 3 0.423800 1.0079 0 - 14269 H2O 4085 H2O O1 4 -0.847600 15.9994 0 - 14270 H2O 4085 H2O H1 3 0.423800 1.0079 0 - 14271 H2O 4085 H2O H2 3 0.423800 1.0079 0 - 14272 H2O 4086 H2O O1 4 -0.847600 15.9994 0 - 14273 H2O 4086 H2O H1 3 0.423800 1.0079 0 - 14274 H2O 4086 H2O H2 3 0.423800 1.0079 0 - 14275 H2O 4087 H2O O1 4 -0.847600 15.9994 0 - 14276 H2O 4087 H2O H1 3 0.423800 1.0079 0 - 14277 H2O 4087 H2O H2 3 0.423800 1.0079 0 - 14278 H2O 4088 H2O O1 4 -0.847600 15.9994 0 - 14279 H2O 4088 H2O H1 3 0.423800 1.0079 0 - 14280 H2O 4088 H2O H2 3 0.423800 1.0079 0 - 14281 H2O 4089 H2O O1 4 -0.847600 15.9994 0 - 14282 H2O 4089 H2O H1 3 0.423800 1.0079 0 - 14283 H2O 4089 H2O H2 3 0.423800 1.0079 0 - 14284 H2O 4090 H2O O1 4 -0.847600 15.9994 0 - 14285 H2O 4090 H2O H1 3 0.423800 1.0079 0 - 14286 H2O 4090 H2O H2 3 0.423800 1.0079 0 - 14287 H2O 4091 H2O O1 4 -0.847600 15.9994 0 - 14288 H2O 4091 H2O H1 3 0.423800 1.0079 0 - 14289 H2O 4091 H2O H2 3 0.423800 1.0079 0 - 14290 H2O 4092 H2O O1 4 -0.847600 15.9994 0 - 14291 H2O 4092 H2O H1 3 0.423800 1.0079 0 - 14292 H2O 4092 H2O H2 3 0.423800 1.0079 0 - 14293 H2O 4093 H2O O1 4 -0.847600 15.9994 0 - 14294 H2O 4093 H2O H1 3 0.423800 1.0079 0 - 14295 H2O 4093 H2O H2 3 0.423800 1.0079 0 - 14296 H2O 4094 H2O O1 4 -0.847600 15.9994 0 - 14297 H2O 4094 H2O H1 3 0.423800 1.0079 0 - 14298 H2O 4094 H2O H2 3 0.423800 1.0079 0 - 14299 H2O 4095 H2O O1 4 -0.847600 15.9994 0 - 14300 H2O 4095 H2O H1 3 0.423800 1.0079 0 - 14301 H2O 4095 H2O H2 3 0.423800 1.0079 0 - 14302 H2O 4096 H2O O1 4 -0.847600 15.9994 0 - 14303 H2O 4096 H2O H1 3 0.423800 1.0079 0 - 14304 H2O 4096 H2O H2 3 0.423800 1.0079 0 - 14305 H2O 4097 H2O O1 4 -0.847600 15.9994 0 - 14306 H2O 4097 H2O H1 3 0.423800 1.0079 0 - 14307 H2O 4097 H2O H2 3 0.423800 1.0079 0 - 14308 H2O 4098 H2O O1 4 -0.847600 15.9994 0 - 14309 H2O 4098 H2O H1 3 0.423800 1.0079 0 - 14310 H2O 4098 H2O H2 3 0.423800 1.0079 0 - 14311 H2O 4099 H2O O1 4 -0.847600 15.9994 0 - 14312 H2O 4099 H2O H1 3 0.423800 1.0079 0 - 14313 H2O 4099 H2O H2 3 0.423800 1.0079 0 - 14314 H2O 4100 H2O O1 4 -0.847600 15.9994 0 - 14315 H2O 4100 H2O H1 3 0.423800 1.0079 0 - 14316 H2O 4100 H2O H2 3 0.423800 1.0079 0 - 14317 H2O 4101 H2O O1 4 -0.847600 15.9994 0 - 14318 H2O 4101 H2O H1 3 0.423800 1.0079 0 - 14319 H2O 4101 H2O H2 3 0.423800 1.0079 0 - 14320 H2O 4102 H2O O1 4 -0.847600 15.9994 0 - 14321 H2O 4102 H2O H1 3 0.423800 1.0079 0 - 14322 H2O 4102 H2O H2 3 0.423800 1.0079 0 - 14323 H2O 4103 H2O O1 4 -0.847600 15.9994 0 - 14324 H2O 4103 H2O H1 3 0.423800 1.0079 0 - 14325 H2O 4103 H2O H2 3 0.423800 1.0079 0 - 14326 H2O 4104 H2O O1 4 -0.847600 15.9994 0 - 14327 H2O 4104 H2O H1 3 0.423800 1.0079 0 - 14328 H2O 4104 H2O H2 3 0.423800 1.0079 0 - 14329 H2O 4105 H2O O1 4 -0.847600 15.9994 0 - 14330 H2O 4105 H2O H1 3 0.423800 1.0079 0 - 14331 H2O 4105 H2O H2 3 0.423800 1.0079 0 - 14332 H2O 4106 H2O O1 4 -0.847600 15.9994 0 - 14333 H2O 4106 H2O H1 3 0.423800 1.0079 0 - 14334 H2O 4106 H2O H2 3 0.423800 1.0079 0 - 14335 H2O 4107 H2O O1 4 -0.847600 15.9994 0 - 14336 H2O 4107 H2O H1 3 0.423800 1.0079 0 - 14337 H2O 4107 H2O H2 3 0.423800 1.0079 0 - 14338 H2O 4108 H2O O1 4 -0.847600 15.9994 0 - 14339 H2O 4108 H2O H1 3 0.423800 1.0079 0 - 14340 H2O 4108 H2O H2 3 0.423800 1.0079 0 - 14341 H2O 4109 H2O O1 4 -0.847600 15.9994 0 - 14342 H2O 4109 H2O H1 3 0.423800 1.0079 0 - 14343 H2O 4109 H2O H2 3 0.423800 1.0079 0 - 14344 H2O 4110 H2O O1 4 -0.847600 15.9994 0 - 14345 H2O 4110 H2O H1 3 0.423800 1.0079 0 - 14346 H2O 4110 H2O H2 3 0.423800 1.0079 0 - 14347 H2O 4111 H2O O1 4 -0.847600 15.9994 0 - 14348 H2O 4111 H2O H1 3 0.423800 1.0079 0 - 14349 H2O 4111 H2O H2 3 0.423800 1.0079 0 - 14350 H2O 4112 H2O O1 4 -0.847600 15.9994 0 - 14351 H2O 4112 H2O H1 3 0.423800 1.0079 0 - 14352 H2O 4112 H2O H2 3 0.423800 1.0079 0 - 14353 H2O 4113 H2O O1 4 -0.847600 15.9994 0 - 14354 H2O 4113 H2O H1 3 0.423800 1.0079 0 - 14355 H2O 4113 H2O H2 3 0.423800 1.0079 0 - 14356 H2O 4114 H2O O1 4 -0.847600 15.9994 0 - 14357 H2O 4114 H2O H1 3 0.423800 1.0079 0 - 14358 H2O 4114 H2O H2 3 0.423800 1.0079 0 - 14359 H2O 4115 H2O O1 4 -0.847600 15.9994 0 - 14360 H2O 4115 H2O H1 3 0.423800 1.0079 0 - 14361 H2O 4115 H2O H2 3 0.423800 1.0079 0 - 14362 H2O 4116 H2O O1 4 -0.847600 15.9994 0 - 14363 H2O 4116 H2O H1 3 0.423800 1.0079 0 - 14364 H2O 4116 H2O H2 3 0.423800 1.0079 0 - 14365 H2O 4117 H2O O1 4 -0.847600 15.9994 0 - 14366 H2O 4117 H2O H1 3 0.423800 1.0079 0 - 14367 H2O 4117 H2O H2 3 0.423800 1.0079 0 - 14368 H2O 4118 H2O O1 4 -0.847600 15.9994 0 - 14369 H2O 4118 H2O H1 3 0.423800 1.0079 0 - 14370 H2O 4118 H2O H2 3 0.423800 1.0079 0 - 14371 H2O 4119 H2O O1 4 -0.847600 15.9994 0 - 14372 H2O 4119 H2O H1 3 0.423800 1.0079 0 - 14373 H2O 4119 H2O H2 3 0.423800 1.0079 0 - 14374 H2O 4120 H2O O1 4 -0.847600 15.9994 0 - 14375 H2O 4120 H2O H1 3 0.423800 1.0079 0 - 14376 H2O 4120 H2O H2 3 0.423800 1.0079 0 - 14377 H2O 4121 H2O O1 4 -0.847600 15.9994 0 - 14378 H2O 4121 H2O H1 3 0.423800 1.0079 0 - 14379 H2O 4121 H2O H2 3 0.423800 1.0079 0 - 14380 H2O 4122 H2O O1 4 -0.847600 15.9994 0 - 14381 H2O 4122 H2O H1 3 0.423800 1.0079 0 - 14382 H2O 4122 H2O H2 3 0.423800 1.0079 0 - 14383 H2O 4123 H2O O1 4 -0.847600 15.9994 0 - 14384 H2O 4123 H2O H1 3 0.423800 1.0079 0 - 14385 H2O 4123 H2O H2 3 0.423800 1.0079 0 - 14386 H2O 4124 H2O O1 4 -0.847600 15.9994 0 - 14387 H2O 4124 H2O H1 3 0.423800 1.0079 0 - 14388 H2O 4124 H2O H2 3 0.423800 1.0079 0 - 14389 H2O 4125 H2O O1 4 -0.847600 15.9994 0 - 14390 H2O 4125 H2O H1 3 0.423800 1.0079 0 - 14391 H2O 4125 H2O H2 3 0.423800 1.0079 0 - 14392 H2O 4126 H2O O1 4 -0.847600 15.9994 0 - 14393 H2O 4126 H2O H1 3 0.423800 1.0079 0 - 14394 H2O 4126 H2O H2 3 0.423800 1.0079 0 - 14395 H2O 4127 H2O O1 4 -0.847600 15.9994 0 - 14396 H2O 4127 H2O H1 3 0.423800 1.0079 0 - 14397 H2O 4127 H2O H2 3 0.423800 1.0079 0 - 14398 H2O 4128 H2O O1 4 -0.847600 15.9994 0 - 14399 H2O 4128 H2O H1 3 0.423800 1.0079 0 - 14400 H2O 4128 H2O H2 3 0.423800 1.0079 0 - 14401 H2O 4129 H2O O1 4 -0.847600 15.9994 0 - 14402 H2O 4129 H2O H1 3 0.423800 1.0079 0 - 14403 H2O 4129 H2O H2 3 0.423800 1.0079 0 - 14404 H2O 4130 H2O O1 4 -0.847600 15.9994 0 - 14405 H2O 4130 H2O H1 3 0.423800 1.0079 0 - 14406 H2O 4130 H2O H2 3 0.423800 1.0079 0 - 14407 H2O 4131 H2O O1 4 -0.847600 15.9994 0 - 14408 H2O 4131 H2O H1 3 0.423800 1.0079 0 - 14409 H2O 4131 H2O H2 3 0.423800 1.0079 0 - 14410 H2O 4132 H2O O1 4 -0.847600 15.9994 0 - 14411 H2O 4132 H2O H1 3 0.423800 1.0079 0 - 14412 H2O 4132 H2O H2 3 0.423800 1.0079 0 - 14413 H2O 4133 H2O O1 4 -0.847600 15.9994 0 - 14414 H2O 4133 H2O H1 3 0.423800 1.0079 0 - 14415 H2O 4133 H2O H2 3 0.423800 1.0079 0 - 14416 H2O 4134 H2O O1 4 -0.847600 15.9994 0 - 14417 H2O 4134 H2O H1 3 0.423800 1.0079 0 - 14418 H2O 4134 H2O H2 3 0.423800 1.0079 0 - 14419 H2O 4135 H2O O1 4 -0.847600 15.9994 0 - 14420 H2O 4135 H2O H1 3 0.423800 1.0079 0 - 14421 H2O 4135 H2O H2 3 0.423800 1.0079 0 - 14422 H2O 4136 H2O O1 4 -0.847600 15.9994 0 - 14423 H2O 4136 H2O H1 3 0.423800 1.0079 0 - 14424 H2O 4136 H2O H2 3 0.423800 1.0079 0 - 14425 H2O 4137 H2O O1 4 -0.847600 15.9994 0 - 14426 H2O 4137 H2O H1 3 0.423800 1.0079 0 - 14427 H2O 4137 H2O H2 3 0.423800 1.0079 0 - 14428 H2O 4138 H2O O1 4 -0.847600 15.9994 0 - 14429 H2O 4138 H2O H1 3 0.423800 1.0079 0 - 14430 H2O 4138 H2O H2 3 0.423800 1.0079 0 - 14431 H2O 4139 H2O O1 4 -0.847600 15.9994 0 - 14432 H2O 4139 H2O H1 3 0.423800 1.0079 0 - 14433 H2O 4139 H2O H2 3 0.423800 1.0079 0 - 14434 H2O 4140 H2O O1 4 -0.847600 15.9994 0 - 14435 H2O 4140 H2O H1 3 0.423800 1.0079 0 - 14436 H2O 4140 H2O H2 3 0.423800 1.0079 0 - 14437 H2O 4141 H2O O1 4 -0.847600 15.9994 0 - 14438 H2O 4141 H2O H1 3 0.423800 1.0079 0 - 14439 H2O 4141 H2O H2 3 0.423800 1.0079 0 - 14440 H2O 4142 H2O O1 4 -0.847600 15.9994 0 - 14441 H2O 4142 H2O H1 3 0.423800 1.0079 0 - 14442 H2O 4142 H2O H2 3 0.423800 1.0079 0 - 14443 H2O 4143 H2O O1 4 -0.847600 15.9994 0 - 14444 H2O 4143 H2O H1 3 0.423800 1.0079 0 - 14445 H2O 4143 H2O H2 3 0.423800 1.0079 0 - 14446 H2O 4144 H2O O1 4 -0.847600 15.9994 0 - 14447 H2O 4144 H2O H1 3 0.423800 1.0079 0 - 14448 H2O 4144 H2O H2 3 0.423800 1.0079 0 - 14449 H2O 4145 H2O O1 4 -0.847600 15.9994 0 - 14450 H2O 4145 H2O H1 3 0.423800 1.0079 0 - 14451 H2O 4145 H2O H2 3 0.423800 1.0079 0 - 14452 H2O 4146 H2O O1 4 -0.847600 15.9994 0 - 14453 H2O 4146 H2O H1 3 0.423800 1.0079 0 - 14454 H2O 4146 H2O H2 3 0.423800 1.0079 0 - 14455 H2O 4147 H2O O1 4 -0.847600 15.9994 0 - 14456 H2O 4147 H2O H1 3 0.423800 1.0079 0 - 14457 H2O 4147 H2O H2 3 0.423800 1.0079 0 - 14458 H2O 4148 H2O O1 4 -0.847600 15.9994 0 - 14459 H2O 4148 H2O H1 3 0.423800 1.0079 0 - 14460 H2O 4148 H2O H2 3 0.423800 1.0079 0 - 14461 H2O 4149 H2O O1 4 -0.847600 15.9994 0 - 14462 H2O 4149 H2O H1 3 0.423800 1.0079 0 - 14463 H2O 4149 H2O H2 3 0.423800 1.0079 0 - 14464 H2O 4150 H2O O1 4 -0.847600 15.9994 0 - 14465 H2O 4150 H2O H1 3 0.423800 1.0079 0 - 14466 H2O 4150 H2O H2 3 0.423800 1.0079 0 - 14467 H2O 4151 H2O O1 4 -0.847600 15.9994 0 - 14468 H2O 4151 H2O H1 3 0.423800 1.0079 0 - 14469 H2O 4151 H2O H2 3 0.423800 1.0079 0 - 14470 H2O 4152 H2O O1 4 -0.847600 15.9994 0 - 14471 H2O 4152 H2O H1 3 0.423800 1.0079 0 - 14472 H2O 4152 H2O H2 3 0.423800 1.0079 0 - 14473 H2O 4153 H2O O1 4 -0.847600 15.9994 0 - 14474 H2O 4153 H2O H1 3 0.423800 1.0079 0 - 14475 H2O 4153 H2O H2 3 0.423800 1.0079 0 - 14476 H2O 4154 H2O O1 4 -0.847600 15.9994 0 - 14477 H2O 4154 H2O H1 3 0.423800 1.0079 0 - 14478 H2O 4154 H2O H2 3 0.423800 1.0079 0 - 14479 H2O 4155 H2O O1 4 -0.847600 15.9994 0 - 14480 H2O 4155 H2O H1 3 0.423800 1.0079 0 - 14481 H2O 4155 H2O H2 3 0.423800 1.0079 0 - 14482 H2O 4156 H2O O1 4 -0.847600 15.9994 0 - 14483 H2O 4156 H2O H1 3 0.423800 1.0079 0 - 14484 H2O 4156 H2O H2 3 0.423800 1.0079 0 - 14485 H2O 4157 H2O O1 4 -0.847600 15.9994 0 - 14486 H2O 4157 H2O H1 3 0.423800 1.0079 0 - 14487 H2O 4157 H2O H2 3 0.423800 1.0079 0 - 14488 H2O 4158 H2O O1 4 -0.847600 15.9994 0 - 14489 H2O 4158 H2O H1 3 0.423800 1.0079 0 - 14490 H2O 4158 H2O H2 3 0.423800 1.0079 0 - 14491 H2O 4159 H2O O1 4 -0.847600 15.9994 0 - 14492 H2O 4159 H2O H1 3 0.423800 1.0079 0 - 14493 H2O 4159 H2O H2 3 0.423800 1.0079 0 - 14494 H2O 4160 H2O O1 4 -0.847600 15.9994 0 - 14495 H2O 4160 H2O H1 3 0.423800 1.0079 0 - 14496 H2O 4160 H2O H2 3 0.423800 1.0079 0 - 14497 H2O 4161 H2O O1 4 -0.847600 15.9994 0 - 14498 H2O 4161 H2O H1 3 0.423800 1.0079 0 - 14499 H2O 4161 H2O H2 3 0.423800 1.0079 0 - 14500 H2O 4162 H2O O1 4 -0.847600 15.9994 0 - 14501 H2O 4162 H2O H1 3 0.423800 1.0079 0 - 14502 H2O 4162 H2O H2 3 0.423800 1.0079 0 - 14503 H2O 4163 H2O O1 4 -0.847600 15.9994 0 - 14504 H2O 4163 H2O H1 3 0.423800 1.0079 0 - 14505 H2O 4163 H2O H2 3 0.423800 1.0079 0 - 14506 H2O 4164 H2O O1 4 -0.847600 15.9994 0 - 14507 H2O 4164 H2O H1 3 0.423800 1.0079 0 - 14508 H2O 4164 H2O H2 3 0.423800 1.0079 0 - 14509 H2O 4165 H2O O1 4 -0.847600 15.9994 0 - 14510 H2O 4165 H2O H1 3 0.423800 1.0079 0 - 14511 H2O 4165 H2O H2 3 0.423800 1.0079 0 - 14512 H2O 4166 H2O O1 4 -0.847600 15.9994 0 - 14513 H2O 4166 H2O H1 3 0.423800 1.0079 0 - 14514 H2O 4166 H2O H2 3 0.423800 1.0079 0 - 14515 H2O 4167 H2O O1 4 -0.847600 15.9994 0 - 14516 H2O 4167 H2O H1 3 0.423800 1.0079 0 - 14517 H2O 4167 H2O H2 3 0.423800 1.0079 0 - 14518 H2O 4168 H2O O1 4 -0.847600 15.9994 0 - 14519 H2O 4168 H2O H1 3 0.423800 1.0079 0 - 14520 H2O 4168 H2O H2 3 0.423800 1.0079 0 - 14521 H2O 4169 H2O O1 4 -0.847600 15.9994 0 - 14522 H2O 4169 H2O H1 3 0.423800 1.0079 0 - 14523 H2O 4169 H2O H2 3 0.423800 1.0079 0 - 14524 H2O 4170 H2O O1 4 -0.847600 15.9994 0 - 14525 H2O 4170 H2O H1 3 0.423800 1.0079 0 - 14526 H2O 4170 H2O H2 3 0.423800 1.0079 0 - 14527 H2O 4171 H2O O1 4 -0.847600 15.9994 0 - 14528 H2O 4171 H2O H1 3 0.423800 1.0079 0 - 14529 H2O 4171 H2O H2 3 0.423800 1.0079 0 - 14530 H2O 4172 H2O O1 4 -0.847600 15.9994 0 - 14531 H2O 4172 H2O H1 3 0.423800 1.0079 0 - 14532 H2O 4172 H2O H2 3 0.423800 1.0079 0 - 14533 H2O 4173 H2O O1 4 -0.847600 15.9994 0 - 14534 H2O 4173 H2O H1 3 0.423800 1.0079 0 - 14535 H2O 4173 H2O H2 3 0.423800 1.0079 0 - 14536 H2O 4174 H2O O1 4 -0.847600 15.9994 0 - 14537 H2O 4174 H2O H1 3 0.423800 1.0079 0 - 14538 H2O 4174 H2O H2 3 0.423800 1.0079 0 - 14539 H2O 4175 H2O O1 4 -0.847600 15.9994 0 - 14540 H2O 4175 H2O H1 3 0.423800 1.0079 0 - 14541 H2O 4175 H2O H2 3 0.423800 1.0079 0 - 14542 H2O 4176 H2O O1 4 -0.847600 15.9994 0 - 14543 H2O 4176 H2O H1 3 0.423800 1.0079 0 - 14544 H2O 4176 H2O H2 3 0.423800 1.0079 0 - 14545 H2O 4177 H2O O1 4 -0.847600 15.9994 0 - 14546 H2O 4177 H2O H1 3 0.423800 1.0079 0 - 14547 H2O 4177 H2O H2 3 0.423800 1.0079 0 - 14548 H2O 4178 H2O O1 4 -0.847600 15.9994 0 - 14549 H2O 4178 H2O H1 3 0.423800 1.0079 0 - 14550 H2O 4178 H2O H2 3 0.423800 1.0079 0 - 14551 H2O 4179 H2O O1 4 -0.847600 15.9994 0 - 14552 H2O 4179 H2O H1 3 0.423800 1.0079 0 - 14553 H2O 4179 H2O H2 3 0.423800 1.0079 0 - 14554 H2O 4180 H2O O1 4 -0.847600 15.9994 0 - 14555 H2O 4180 H2O H1 3 0.423800 1.0079 0 - 14556 H2O 4180 H2O H2 3 0.423800 1.0079 0 - 14557 H2O 4181 H2O O1 4 -0.847600 15.9994 0 - 14558 H2O 4181 H2O H1 3 0.423800 1.0079 0 - 14559 H2O 4181 H2O H2 3 0.423800 1.0079 0 - 14560 H2O 4182 H2O O1 4 -0.847600 15.9994 0 - 14561 H2O 4182 H2O H1 3 0.423800 1.0079 0 - 14562 H2O 4182 H2O H2 3 0.423800 1.0079 0 - 14563 H2O 4183 H2O O1 4 -0.847600 15.9994 0 - 14564 H2O 4183 H2O H1 3 0.423800 1.0079 0 - 14565 H2O 4183 H2O H2 3 0.423800 1.0079 0 - 14566 H2O 4184 H2O O1 4 -0.847600 15.9994 0 - 14567 H2O 4184 H2O H1 3 0.423800 1.0079 0 - 14568 H2O 4184 H2O H2 3 0.423800 1.0079 0 - 14569 H2O 4185 H2O O1 4 -0.847600 15.9994 0 - 14570 H2O 4185 H2O H1 3 0.423800 1.0079 0 - 14571 H2O 4185 H2O H2 3 0.423800 1.0079 0 - 14572 H2O 4186 H2O O1 4 -0.847600 15.9994 0 - 14573 H2O 4186 H2O H1 3 0.423800 1.0079 0 - 14574 H2O 4186 H2O H2 3 0.423800 1.0079 0 - 14575 H2O 4187 H2O O1 4 -0.847600 15.9994 0 - 14576 H2O 4187 H2O H1 3 0.423800 1.0079 0 - 14577 H2O 4187 H2O H2 3 0.423800 1.0079 0 - 14578 H2O 4188 H2O O1 4 -0.847600 15.9994 0 - 14579 H2O 4188 H2O H1 3 0.423800 1.0079 0 - 14580 H2O 4188 H2O H2 3 0.423800 1.0079 0 - 14581 H2O 4189 H2O O1 4 -0.847600 15.9994 0 - 14582 H2O 4189 H2O H1 3 0.423800 1.0079 0 - 14583 H2O 4189 H2O H2 3 0.423800 1.0079 0 - 14584 H2O 4190 H2O O1 4 -0.847600 15.9994 0 - 14585 H2O 4190 H2O H1 3 0.423800 1.0079 0 - 14586 H2O 4190 H2O H2 3 0.423800 1.0079 0 - 14587 H2O 4191 H2O O1 4 -0.847600 15.9994 0 - 14588 H2O 4191 H2O H1 3 0.423800 1.0079 0 - 14589 H2O 4191 H2O H2 3 0.423800 1.0079 0 - 14590 H2O 4192 H2O O1 4 -0.847600 15.9994 0 - 14591 H2O 4192 H2O H1 3 0.423800 1.0079 0 - 14592 H2O 4192 H2O H2 3 0.423800 1.0079 0 - 14593 H2O 4193 H2O O1 4 -0.847600 15.9994 0 - 14594 H2O 4193 H2O H1 3 0.423800 1.0079 0 - 14595 H2O 4193 H2O H2 3 0.423800 1.0079 0 - 14596 H2O 4194 H2O O1 4 -0.847600 15.9994 0 - 14597 H2O 4194 H2O H1 3 0.423800 1.0079 0 - 14598 H2O 4194 H2O H2 3 0.423800 1.0079 0 - 14599 H2O 4195 H2O O1 4 -0.847600 15.9994 0 - 14600 H2O 4195 H2O H1 3 0.423800 1.0079 0 - 14601 H2O 4195 H2O H2 3 0.423800 1.0079 0 - 14602 H2O 4196 H2O O1 4 -0.847600 15.9994 0 - 14603 H2O 4196 H2O H1 3 0.423800 1.0079 0 - 14604 H2O 4196 H2O H2 3 0.423800 1.0079 0 - 14605 H2O 4197 H2O O1 4 -0.847600 15.9994 0 - 14606 H2O 4197 H2O H1 3 0.423800 1.0079 0 - 14607 H2O 4197 H2O H2 3 0.423800 1.0079 0 - 14608 H2O 4198 H2O O1 4 -0.847600 15.9994 0 - 14609 H2O 4198 H2O H1 3 0.423800 1.0079 0 - 14610 H2O 4198 H2O H2 3 0.423800 1.0079 0 - 14611 H2O 4199 H2O O1 4 -0.847600 15.9994 0 - 14612 H2O 4199 H2O H1 3 0.423800 1.0079 0 - 14613 H2O 4199 H2O H2 3 0.423800 1.0079 0 - 14614 H2O 4200 H2O O1 4 -0.847600 15.9994 0 - 14615 H2O 4200 H2O H1 3 0.423800 1.0079 0 - 14616 H2O 4200 H2O H2 3 0.423800 1.0079 0 - 14617 H2O 4201 H2O O1 4 -0.847600 15.9994 0 - 14618 H2O 4201 H2O H1 3 0.423800 1.0079 0 - 14619 H2O 4201 H2O H2 3 0.423800 1.0079 0 - 14620 H2O 4202 H2O O1 4 -0.847600 15.9994 0 - 14621 H2O 4202 H2O H1 3 0.423800 1.0079 0 - 14622 H2O 4202 H2O H2 3 0.423800 1.0079 0 - 14623 H2O 4203 H2O O1 4 -0.847600 15.9994 0 - 14624 H2O 4203 H2O H1 3 0.423800 1.0079 0 - 14625 H2O 4203 H2O H2 3 0.423800 1.0079 0 - 14626 H2O 4204 H2O O1 4 -0.847600 15.9994 0 - 14627 H2O 4204 H2O H1 3 0.423800 1.0079 0 - 14628 H2O 4204 H2O H2 3 0.423800 1.0079 0 - 14629 H2O 4205 H2O O1 4 -0.847600 15.9994 0 - 14630 H2O 4205 H2O H1 3 0.423800 1.0079 0 - 14631 H2O 4205 H2O H2 3 0.423800 1.0079 0 - 14632 H2O 4206 H2O O1 4 -0.847600 15.9994 0 - 14633 H2O 4206 H2O H1 3 0.423800 1.0079 0 - 14634 H2O 4206 H2O H2 3 0.423800 1.0079 0 - 14635 H2O 4207 H2O O1 4 -0.847600 15.9994 0 - 14636 H2O 4207 H2O H1 3 0.423800 1.0079 0 - 14637 H2O 4207 H2O H2 3 0.423800 1.0079 0 - 14638 H2O 4208 H2O O1 4 -0.847600 15.9994 0 - 14639 H2O 4208 H2O H1 3 0.423800 1.0079 0 - 14640 H2O 4208 H2O H2 3 0.423800 1.0079 0 - 14641 H2O 4209 H2O O1 4 -0.847600 15.9994 0 - 14642 H2O 4209 H2O H1 3 0.423800 1.0079 0 - 14643 H2O 4209 H2O H2 3 0.423800 1.0079 0 - 14644 H2O 4210 H2O O1 4 -0.847600 15.9994 0 - 14645 H2O 4210 H2O H1 3 0.423800 1.0079 0 - 14646 H2O 4210 H2O H2 3 0.423800 1.0079 0 - 14647 H2O 4211 H2O O1 4 -0.847600 15.9994 0 - 14648 H2O 4211 H2O H1 3 0.423800 1.0079 0 - 14649 H2O 4211 H2O H2 3 0.423800 1.0079 0 - 14650 H2O 4212 H2O O1 4 -0.847600 15.9994 0 - 14651 H2O 4212 H2O H1 3 0.423800 1.0079 0 - 14652 H2O 4212 H2O H2 3 0.423800 1.0079 0 - 14653 H2O 4213 H2O O1 4 -0.847600 15.9994 0 - 14654 H2O 4213 H2O H1 3 0.423800 1.0079 0 - 14655 H2O 4213 H2O H2 3 0.423800 1.0079 0 - 14656 H2O 4214 H2O O1 4 -0.847600 15.9994 0 - 14657 H2O 4214 H2O H1 3 0.423800 1.0079 0 - 14658 H2O 4214 H2O H2 3 0.423800 1.0079 0 - 14659 H2O 4215 H2O O1 4 -0.847600 15.9994 0 - 14660 H2O 4215 H2O H1 3 0.423800 1.0079 0 - 14661 H2O 4215 H2O H2 3 0.423800 1.0079 0 - 14662 H2O 4216 H2O O1 4 -0.847600 15.9994 0 - 14663 H2O 4216 H2O H1 3 0.423800 1.0079 0 - 14664 H2O 4216 H2O H2 3 0.423800 1.0079 0 - 14665 H2O 4217 H2O O1 4 -0.847600 15.9994 0 - 14666 H2O 4217 H2O H1 3 0.423800 1.0079 0 - 14667 H2O 4217 H2O H2 3 0.423800 1.0079 0 - 14668 H2O 4218 H2O O1 4 -0.847600 15.9994 0 - 14669 H2O 4218 H2O H1 3 0.423800 1.0079 0 - 14670 H2O 4218 H2O H2 3 0.423800 1.0079 0 - 14671 H2O 4219 H2O O1 4 -0.847600 15.9994 0 - 14672 H2O 4219 H2O H1 3 0.423800 1.0079 0 - 14673 H2O 4219 H2O H2 3 0.423800 1.0079 0 - 14674 H2O 4220 H2O O1 4 -0.847600 15.9994 0 - 14675 H2O 4220 H2O H1 3 0.423800 1.0079 0 - 14676 H2O 4220 H2O H2 3 0.423800 1.0079 0 - 14677 H2O 4221 H2O O1 4 -0.847600 15.9994 0 - 14678 H2O 4221 H2O H1 3 0.423800 1.0079 0 - 14679 H2O 4221 H2O H2 3 0.423800 1.0079 0 - 14680 H2O 4222 H2O O1 4 -0.847600 15.9994 0 - 14681 H2O 4222 H2O H1 3 0.423800 1.0079 0 - 14682 H2O 4222 H2O H2 3 0.423800 1.0079 0 - 14683 H2O 4223 H2O O1 4 -0.847600 15.9994 0 - 14684 H2O 4223 H2O H1 3 0.423800 1.0079 0 - 14685 H2O 4223 H2O H2 3 0.423800 1.0079 0 - 14686 H2O 4224 H2O O1 4 -0.847600 15.9994 0 - 14687 H2O 4224 H2O H1 3 0.423800 1.0079 0 - 14688 H2O 4224 H2O H2 3 0.423800 1.0079 0 - 14689 H2O 4225 H2O O1 4 -0.847600 15.9994 0 - 14690 H2O 4225 H2O H1 3 0.423800 1.0079 0 - 14691 H2O 4225 H2O H2 3 0.423800 1.0079 0 - 14692 H2O 4226 H2O O1 4 -0.847600 15.9994 0 - 14693 H2O 4226 H2O H1 3 0.423800 1.0079 0 - 14694 H2O 4226 H2O H2 3 0.423800 1.0079 0 - 14695 H2O 4227 H2O O1 4 -0.847600 15.9994 0 - 14696 H2O 4227 H2O H1 3 0.423800 1.0079 0 - 14697 H2O 4227 H2O H2 3 0.423800 1.0079 0 - 14698 H2O 4228 H2O O1 4 -0.847600 15.9994 0 - 14699 H2O 4228 H2O H1 3 0.423800 1.0079 0 - 14700 H2O 4228 H2O H2 3 0.423800 1.0079 0 - 14701 H2O 4229 H2O O1 4 -0.847600 15.9994 0 - 14702 H2O 4229 H2O H1 3 0.423800 1.0079 0 - 14703 H2O 4229 H2O H2 3 0.423800 1.0079 0 - 14704 H2O 4230 H2O O1 4 -0.847600 15.9994 0 - 14705 H2O 4230 H2O H1 3 0.423800 1.0079 0 - 14706 H2O 4230 H2O H2 3 0.423800 1.0079 0 - 14707 H2O 4231 H2O O1 4 -0.847600 15.9994 0 - 14708 H2O 4231 H2O H1 3 0.423800 1.0079 0 - 14709 H2O 4231 H2O H2 3 0.423800 1.0079 0 - 14710 H2O 4232 H2O O1 4 -0.847600 15.9994 0 - 14711 H2O 4232 H2O H1 3 0.423800 1.0079 0 - 14712 H2O 4232 H2O H2 3 0.423800 1.0079 0 - 14713 H2O 4233 H2O O1 4 -0.847600 15.9994 0 - 14714 H2O 4233 H2O H1 3 0.423800 1.0079 0 - 14715 H2O 4233 H2O H2 3 0.423800 1.0079 0 - 14716 H2O 4234 H2O O1 4 -0.847600 15.9994 0 - 14717 H2O 4234 H2O H1 3 0.423800 1.0079 0 - 14718 H2O 4234 H2O H2 3 0.423800 1.0079 0 - 14719 H2O 4235 H2O O1 4 -0.847600 15.9994 0 - 14720 H2O 4235 H2O H1 3 0.423800 1.0079 0 - 14721 H2O 4235 H2O H2 3 0.423800 1.0079 0 - 14722 H2O 4236 H2O O1 4 -0.847600 15.9994 0 - 14723 H2O 4236 H2O H1 3 0.423800 1.0079 0 - 14724 H2O 4236 H2O H2 3 0.423800 1.0079 0 - 14725 H2O 4237 H2O O1 4 -0.847600 15.9994 0 - 14726 H2O 4237 H2O H1 3 0.423800 1.0079 0 - 14727 H2O 4237 H2O H2 3 0.423800 1.0079 0 - 14728 H2O 4238 H2O O1 4 -0.847600 15.9994 0 - 14729 H2O 4238 H2O H1 3 0.423800 1.0079 0 - 14730 H2O 4238 H2O H2 3 0.423800 1.0079 0 - 14731 H2O 4239 H2O O1 4 -0.847600 15.9994 0 - 14732 H2O 4239 H2O H1 3 0.423800 1.0079 0 - 14733 H2O 4239 H2O H2 3 0.423800 1.0079 0 - 14734 H2O 4240 H2O O1 4 -0.847600 15.9994 0 - 14735 H2O 4240 H2O H1 3 0.423800 1.0079 0 - 14736 H2O 4240 H2O H2 3 0.423800 1.0079 0 - 14737 H2O 4241 H2O O1 4 -0.847600 15.9994 0 - 14738 H2O 4241 H2O H1 3 0.423800 1.0079 0 - 14739 H2O 4241 H2O H2 3 0.423800 1.0079 0 - 14740 H2O 4242 H2O O1 4 -0.847600 15.9994 0 - 14741 H2O 4242 H2O H1 3 0.423800 1.0079 0 - 14742 H2O 4242 H2O H2 3 0.423800 1.0079 0 - 14743 H2O 4243 H2O O1 4 -0.847600 15.9994 0 - 14744 H2O 4243 H2O H1 3 0.423800 1.0079 0 - 14745 H2O 4243 H2O H2 3 0.423800 1.0079 0 - 14746 H2O 4244 H2O O1 4 -0.847600 15.9994 0 - 14747 H2O 4244 H2O H1 3 0.423800 1.0079 0 - 14748 H2O 4244 H2O H2 3 0.423800 1.0079 0 - 14749 H2O 4245 H2O O1 4 -0.847600 15.9994 0 - 14750 H2O 4245 H2O H1 3 0.423800 1.0079 0 - 14751 H2O 4245 H2O H2 3 0.423800 1.0079 0 - 14752 H2O 4246 H2O O1 4 -0.847600 15.9994 0 - 14753 H2O 4246 H2O H1 3 0.423800 1.0079 0 - 14754 H2O 4246 H2O H2 3 0.423800 1.0079 0 - 14755 H2O 4247 H2O O1 4 -0.847600 15.9994 0 - 14756 H2O 4247 H2O H1 3 0.423800 1.0079 0 - 14757 H2O 4247 H2O H2 3 0.423800 1.0079 0 - 14758 H2O 4248 H2O O1 4 -0.847600 15.9994 0 - 14759 H2O 4248 H2O H1 3 0.423800 1.0079 0 - 14760 H2O 4248 H2O H2 3 0.423800 1.0079 0 - 14761 H2O 4249 H2O O1 4 -0.847600 15.9994 0 - 14762 H2O 4249 H2O H1 3 0.423800 1.0079 0 - 14763 H2O 4249 H2O H2 3 0.423800 1.0079 0 - 14764 H2O 4250 H2O O1 4 -0.847600 15.9994 0 - 14765 H2O 4250 H2O H1 3 0.423800 1.0079 0 - 14766 H2O 4250 H2O H2 3 0.423800 1.0079 0 - 14767 H2O 4251 H2O O1 4 -0.847600 15.9994 0 - 14768 H2O 4251 H2O H1 3 0.423800 1.0079 0 - 14769 H2O 4251 H2O H2 3 0.423800 1.0079 0 - 14770 H2O 4252 H2O O1 4 -0.847600 15.9994 0 - 14771 H2O 4252 H2O H1 3 0.423800 1.0079 0 - 14772 H2O 4252 H2O H2 3 0.423800 1.0079 0 - 14773 H2O 4253 H2O O1 4 -0.847600 15.9994 0 - 14774 H2O 4253 H2O H1 3 0.423800 1.0079 0 - 14775 H2O 4253 H2O H2 3 0.423800 1.0079 0 - 14776 H2O 4254 H2O O1 4 -0.847600 15.9994 0 - 14777 H2O 4254 H2O H1 3 0.423800 1.0079 0 - 14778 H2O 4254 H2O H2 3 0.423800 1.0079 0 - 14779 H2O 4255 H2O O1 4 -0.847600 15.9994 0 - 14780 H2O 4255 H2O H1 3 0.423800 1.0079 0 - 14781 H2O 4255 H2O H2 3 0.423800 1.0079 0 - 14782 H2O 4256 H2O O1 4 -0.847600 15.9994 0 - 14783 H2O 4256 H2O H1 3 0.423800 1.0079 0 - 14784 H2O 4256 H2O H2 3 0.423800 1.0079 0 - 14785 H2O 4257 H2O O1 4 -0.847600 15.9994 0 - 14786 H2O 4257 H2O H1 3 0.423800 1.0079 0 - 14787 H2O 4257 H2O H2 3 0.423800 1.0079 0 - 14788 H2O 4258 H2O O1 4 -0.847600 15.9994 0 - 14789 H2O 4258 H2O H1 3 0.423800 1.0079 0 - 14790 H2O 4258 H2O H2 3 0.423800 1.0079 0 - 14791 H2O 4259 H2O O1 4 -0.847600 15.9994 0 - 14792 H2O 4259 H2O H1 3 0.423800 1.0079 0 - 14793 H2O 4259 H2O H2 3 0.423800 1.0079 0 - 14794 H2O 4260 H2O O1 4 -0.847600 15.9994 0 - 14795 H2O 4260 H2O H1 3 0.423800 1.0079 0 - 14796 H2O 4260 H2O H2 3 0.423800 1.0079 0 - 14797 H2O 4261 H2O O1 4 -0.847600 15.9994 0 - 14798 H2O 4261 H2O H1 3 0.423800 1.0079 0 - 14799 H2O 4261 H2O H2 3 0.423800 1.0079 0 - 14800 H2O 4262 H2O O1 4 -0.847600 15.9994 0 - 14801 H2O 4262 H2O H1 3 0.423800 1.0079 0 - 14802 H2O 4262 H2O H2 3 0.423800 1.0079 0 - 14803 H2O 4263 H2O O1 4 -0.847600 15.9994 0 - 14804 H2O 4263 H2O H1 3 0.423800 1.0079 0 - 14805 H2O 4263 H2O H2 3 0.423800 1.0079 0 - 14806 H2O 4264 H2O O1 4 -0.847600 15.9994 0 - 14807 H2O 4264 H2O H1 3 0.423800 1.0079 0 - 14808 H2O 4264 H2O H2 3 0.423800 1.0079 0 - 14809 H2O 4265 H2O O1 4 -0.847600 15.9994 0 - 14810 H2O 4265 H2O H1 3 0.423800 1.0079 0 - 14811 H2O 4265 H2O H2 3 0.423800 1.0079 0 - 14812 H2O 4266 H2O O1 4 -0.847600 15.9994 0 - 14813 H2O 4266 H2O H1 3 0.423800 1.0079 0 - 14814 H2O 4266 H2O H2 3 0.423800 1.0079 0 - 14815 H2O 4267 H2O O1 4 -0.847600 15.9994 0 - 14816 H2O 4267 H2O H1 3 0.423800 1.0079 0 - 14817 H2O 4267 H2O H2 3 0.423800 1.0079 0 - 14818 H2O 4268 H2O O1 4 -0.847600 15.9994 0 - 14819 H2O 4268 H2O H1 3 0.423800 1.0079 0 - 14820 H2O 4268 H2O H2 3 0.423800 1.0079 0 - 14821 H2O 4269 H2O O1 4 -0.847600 15.9994 0 - 14822 H2O 4269 H2O H1 3 0.423800 1.0079 0 - 14823 H2O 4269 H2O H2 3 0.423800 1.0079 0 - 14824 H2O 4270 H2O O1 4 -0.847600 15.9994 0 - 14825 H2O 4270 H2O H1 3 0.423800 1.0079 0 - 14826 H2O 4270 H2O H2 3 0.423800 1.0079 0 - 14827 H2O 4271 H2O O1 4 -0.847600 15.9994 0 - 14828 H2O 4271 H2O H1 3 0.423800 1.0079 0 - 14829 H2O 4271 H2O H2 3 0.423800 1.0079 0 - 14830 H2O 4272 H2O O1 4 -0.847600 15.9994 0 - 14831 H2O 4272 H2O H1 3 0.423800 1.0079 0 - 14832 H2O 4272 H2O H2 3 0.423800 1.0079 0 - 14833 H2O 4273 H2O O1 4 -0.847600 15.9994 0 - 14834 H2O 4273 H2O H1 3 0.423800 1.0079 0 - 14835 H2O 4273 H2O H2 3 0.423800 1.0079 0 - 14836 H2O 4274 H2O O1 4 -0.847600 15.9994 0 - 14837 H2O 4274 H2O H1 3 0.423800 1.0079 0 - 14838 H2O 4274 H2O H2 3 0.423800 1.0079 0 - 14839 H2O 4275 H2O O1 4 -0.847600 15.9994 0 - 14840 H2O 4275 H2O H1 3 0.423800 1.0079 0 - 14841 H2O 4275 H2O H2 3 0.423800 1.0079 0 - 14842 H2O 4276 H2O O1 4 -0.847600 15.9994 0 - 14843 H2O 4276 H2O H1 3 0.423800 1.0079 0 - 14844 H2O 4276 H2O H2 3 0.423800 1.0079 0 - 14845 H2O 4277 H2O O1 4 -0.847600 15.9994 0 - 14846 H2O 4277 H2O H1 3 0.423800 1.0079 0 - 14847 H2O 4277 H2O H2 3 0.423800 1.0079 0 - 14848 H2O 4278 H2O O1 4 -0.847600 15.9994 0 - 14849 H2O 4278 H2O H1 3 0.423800 1.0079 0 - 14850 H2O 4278 H2O H2 3 0.423800 1.0079 0 - 14851 H2O 4279 H2O O1 4 -0.847600 15.9994 0 - 14852 H2O 4279 H2O H1 3 0.423800 1.0079 0 - 14853 H2O 4279 H2O H2 3 0.423800 1.0079 0 - 14854 H2O 4280 H2O O1 4 -0.847600 15.9994 0 - 14855 H2O 4280 H2O H1 3 0.423800 1.0079 0 - 14856 H2O 4280 H2O H2 3 0.423800 1.0079 0 - 14857 H2O 4281 H2O O1 4 -0.847600 15.9994 0 - 14858 H2O 4281 H2O H1 3 0.423800 1.0079 0 - 14859 H2O 4281 H2O H2 3 0.423800 1.0079 0 - 14860 H2O 4282 H2O O1 4 -0.847600 15.9994 0 - 14861 H2O 4282 H2O H1 3 0.423800 1.0079 0 - 14862 H2O 4282 H2O H2 3 0.423800 1.0079 0 - 14863 H2O 4283 H2O O1 4 -0.847600 15.9994 0 - 14864 H2O 4283 H2O H1 3 0.423800 1.0079 0 - 14865 H2O 4283 H2O H2 3 0.423800 1.0079 0 - 14866 H2O 4284 H2O O1 4 -0.847600 15.9994 0 - 14867 H2O 4284 H2O H1 3 0.423800 1.0079 0 - 14868 H2O 4284 H2O H2 3 0.423800 1.0079 0 - 14869 H2O 4285 H2O O1 4 -0.847600 15.9994 0 - 14870 H2O 4285 H2O H1 3 0.423800 1.0079 0 - 14871 H2O 4285 H2O H2 3 0.423800 1.0079 0 - 14872 H2O 4286 H2O O1 4 -0.847600 15.9994 0 - 14873 H2O 4286 H2O H1 3 0.423800 1.0079 0 - 14874 H2O 4286 H2O H2 3 0.423800 1.0079 0 - 14875 H2O 4287 H2O O1 4 -0.847600 15.9994 0 - 14876 H2O 4287 H2O H1 3 0.423800 1.0079 0 - 14877 H2O 4287 H2O H2 3 0.423800 1.0079 0 - 14878 H2O 4288 H2O O1 4 -0.847600 15.9994 0 - 14879 H2O 4288 H2O H1 3 0.423800 1.0079 0 - 14880 H2O 4288 H2O H2 3 0.423800 1.0079 0 - 14881 H2O 4289 H2O O1 4 -0.847600 15.9994 0 - 14882 H2O 4289 H2O H1 3 0.423800 1.0079 0 - 14883 H2O 4289 H2O H2 3 0.423800 1.0079 0 - 14884 H2O 4290 H2O O1 4 -0.847600 15.9994 0 - 14885 H2O 4290 H2O H1 3 0.423800 1.0079 0 - 14886 H2O 4290 H2O H2 3 0.423800 1.0079 0 - 14887 H2O 4291 H2O O1 4 -0.847600 15.9994 0 - 14888 H2O 4291 H2O H1 3 0.423800 1.0079 0 - 14889 H2O 4291 H2O H2 3 0.423800 1.0079 0 - 14890 H2O 4292 H2O O1 4 -0.847600 15.9994 0 - 14891 H2O 4292 H2O H1 3 0.423800 1.0079 0 - 14892 H2O 4292 H2O H2 3 0.423800 1.0079 0 - 14893 H2O 4293 H2O O1 4 -0.847600 15.9994 0 - 14894 H2O 4293 H2O H1 3 0.423800 1.0079 0 - 14895 H2O 4293 H2O H2 3 0.423800 1.0079 0 - 14896 H2O 4294 H2O O1 4 -0.847600 15.9994 0 - 14897 H2O 4294 H2O H1 3 0.423800 1.0079 0 - 14898 H2O 4294 H2O H2 3 0.423800 1.0079 0 - 14899 H2O 4295 H2O O1 4 -0.847600 15.9994 0 - 14900 H2O 4295 H2O H1 3 0.423800 1.0079 0 - 14901 H2O 4295 H2O H2 3 0.423800 1.0079 0 - 14902 H2O 4296 H2O O1 4 -0.847600 15.9994 0 - 14903 H2O 4296 H2O H1 3 0.423800 1.0079 0 - 14904 H2O 4296 H2O H2 3 0.423800 1.0079 0 - 14905 H2O 4297 H2O O1 4 -0.847600 15.9994 0 - 14906 H2O 4297 H2O H1 3 0.423800 1.0079 0 - 14907 H2O 4297 H2O H2 3 0.423800 1.0079 0 - 14908 H2O 4298 H2O O1 4 -0.847600 15.9994 0 - 14909 H2O 4298 H2O H1 3 0.423800 1.0079 0 - 14910 H2O 4298 H2O H2 3 0.423800 1.0079 0 - 14911 H2O 4299 H2O O1 4 -0.847600 15.9994 0 - 14912 H2O 4299 H2O H1 3 0.423800 1.0079 0 - 14913 H2O 4299 H2O H2 3 0.423800 1.0079 0 - 14914 H2O 4300 H2O O1 4 -0.847600 15.9994 0 - 14915 H2O 4300 H2O H1 3 0.423800 1.0079 0 - 14916 H2O 4300 H2O H2 3 0.423800 1.0079 0 - 14917 H2O 4301 H2O O1 4 -0.847600 15.9994 0 - 14918 H2O 4301 H2O H1 3 0.423800 1.0079 0 - 14919 H2O 4301 H2O H2 3 0.423800 1.0079 0 - 14920 H2O 4302 H2O O1 4 -0.847600 15.9994 0 - 14921 H2O 4302 H2O H1 3 0.423800 1.0079 0 - 14922 H2O 4302 H2O H2 3 0.423800 1.0079 0 - 14923 H2O 4303 H2O O1 4 -0.847600 15.9994 0 - 14924 H2O 4303 H2O H1 3 0.423800 1.0079 0 - 14925 H2O 4303 H2O H2 3 0.423800 1.0079 0 - 14926 H2O 4304 H2O O1 4 -0.847600 15.9994 0 - 14927 H2O 4304 H2O H1 3 0.423800 1.0079 0 - 14928 H2O 4304 H2O H2 3 0.423800 1.0079 0 - 14929 H2O 4305 H2O O1 4 -0.847600 15.9994 0 - 14930 H2O 4305 H2O H1 3 0.423800 1.0079 0 - 14931 H2O 4305 H2O H2 3 0.423800 1.0079 0 - 14932 H2O 4306 H2O O1 4 -0.847600 15.9994 0 - 14933 H2O 4306 H2O H1 3 0.423800 1.0079 0 - 14934 H2O 4306 H2O H2 3 0.423800 1.0079 0 - 14935 H2O 4307 H2O O1 4 -0.847600 15.9994 0 - 14936 H2O 4307 H2O H1 3 0.423800 1.0079 0 - 14937 H2O 4307 H2O H2 3 0.423800 1.0079 0 - 14938 H2O 4308 H2O O1 4 -0.847600 15.9994 0 - 14939 H2O 4308 H2O H1 3 0.423800 1.0079 0 - 14940 H2O 4308 H2O H2 3 0.423800 1.0079 0 - 14941 H2O 4309 H2O O1 4 -0.847600 15.9994 0 - 14942 H2O 4309 H2O H1 3 0.423800 1.0079 0 - 14943 H2O 4309 H2O H2 3 0.423800 1.0079 0 - 14944 H2O 4310 H2O O1 4 -0.847600 15.9994 0 - 14945 H2O 4310 H2O H1 3 0.423800 1.0079 0 - 14946 H2O 4310 H2O H2 3 0.423800 1.0079 0 - 14947 H2O 4311 H2O O1 4 -0.847600 15.9994 0 - 14948 H2O 4311 H2O H1 3 0.423800 1.0079 0 - 14949 H2O 4311 H2O H2 3 0.423800 1.0079 0 - 14950 H2O 4312 H2O O1 4 -0.847600 15.9994 0 - 14951 H2O 4312 H2O H1 3 0.423800 1.0079 0 - 14952 H2O 4312 H2O H2 3 0.423800 1.0079 0 - 14953 H2O 4313 H2O O1 4 -0.847600 15.9994 0 - 14954 H2O 4313 H2O H1 3 0.423800 1.0079 0 - 14955 H2O 4313 H2O H2 3 0.423800 1.0079 0 - 14956 H2O 4314 H2O O1 4 -0.847600 15.9994 0 - 14957 H2O 4314 H2O H1 3 0.423800 1.0079 0 - 14958 H2O 4314 H2O H2 3 0.423800 1.0079 0 - 14959 H2O 4315 H2O O1 4 -0.847600 15.9994 0 - 14960 H2O 4315 H2O H1 3 0.423800 1.0079 0 - 14961 H2O 4315 H2O H2 3 0.423800 1.0079 0 - 14962 H2O 4316 H2O O1 4 -0.847600 15.9994 0 - 14963 H2O 4316 H2O H1 3 0.423800 1.0079 0 - 14964 H2O 4316 H2O H2 3 0.423800 1.0079 0 - 14965 H2O 4317 H2O O1 4 -0.847600 15.9994 0 - 14966 H2O 4317 H2O H1 3 0.423800 1.0079 0 - 14967 H2O 4317 H2O H2 3 0.423800 1.0079 0 - 14968 H2O 4318 H2O O1 4 -0.847600 15.9994 0 - 14969 H2O 4318 H2O H1 3 0.423800 1.0079 0 - 14970 H2O 4318 H2O H2 3 0.423800 1.0079 0 - 14971 H2O 4319 H2O O1 4 -0.847600 15.9994 0 - 14972 H2O 4319 H2O H1 3 0.423800 1.0079 0 - 14973 H2O 4319 H2O H2 3 0.423800 1.0079 0 - 14974 H2O 4320 H2O O1 4 -0.847600 15.9994 0 - 14975 H2O 4320 H2O H1 3 0.423800 1.0079 0 - 14976 H2O 4320 H2O H2 3 0.423800 1.0079 0 - 14977 H2O 4321 H2O O1 4 -0.847600 15.9994 0 - 14978 H2O 4321 H2O H1 3 0.423800 1.0079 0 - 14979 H2O 4321 H2O H2 3 0.423800 1.0079 0 - 14980 H2O 4322 H2O O1 4 -0.847600 15.9994 0 - 14981 H2O 4322 H2O H1 3 0.423800 1.0079 0 - 14982 H2O 4322 H2O H2 3 0.423800 1.0079 0 - 14983 H2O 4323 H2O O1 4 -0.847600 15.9994 0 - 14984 H2O 4323 H2O H1 3 0.423800 1.0079 0 - 14985 H2O 4323 H2O H2 3 0.423800 1.0079 0 - 14986 H2O 4324 H2O O1 4 -0.847600 15.9994 0 - 14987 H2O 4324 H2O H1 3 0.423800 1.0079 0 - 14988 H2O 4324 H2O H2 3 0.423800 1.0079 0 - 14989 H2O 4325 H2O O1 4 -0.847600 15.9994 0 - 14990 H2O 4325 H2O H1 3 0.423800 1.0079 0 - 14991 H2O 4325 H2O H2 3 0.423800 1.0079 0 - 14992 H2O 4326 H2O O1 4 -0.847600 15.9994 0 - 14993 H2O 4326 H2O H1 3 0.423800 1.0079 0 - 14994 H2O 4326 H2O H2 3 0.423800 1.0079 0 - 14995 H2O 4327 H2O O1 4 -0.847600 15.9994 0 - 14996 H2O 4327 H2O H1 3 0.423800 1.0079 0 - 14997 H2O 4327 H2O H2 3 0.423800 1.0079 0 - 14998 H2O 4328 H2O O1 4 -0.847600 15.9994 0 - 14999 H2O 4328 H2O H1 3 0.423800 1.0079 0 - 15000 H2O 4328 H2O H2 3 0.423800 1.0079 0 - 15001 H2O 4329 H2O O1 4 -0.847600 15.9994 0 - 15002 H2O 4329 H2O H1 3 0.423800 1.0079 0 - 15003 H2O 4329 H2O H2 3 0.423800 1.0079 0 - 15004 H2O 4330 H2O O1 4 -0.847600 15.9994 0 - 15005 H2O 4330 H2O H1 3 0.423800 1.0079 0 - 15006 H2O 4330 H2O H2 3 0.423800 1.0079 0 - 15007 H2O 4331 H2O O1 4 -0.847600 15.9994 0 - 15008 H2O 4331 H2O H1 3 0.423800 1.0079 0 - 15009 H2O 4331 H2O H2 3 0.423800 1.0079 0 - - 8662 !NBOND: bonds - 2017 2019 2017 2018 2020 2022 2020 2021 - 2023 2025 2023 2024 2026 2028 2026 2027 - 2029 2031 2029 2030 2032 2034 2032 2033 - 2035 2037 2035 2036 2038 2040 2038 2039 - 2041 2043 2041 2042 2044 2046 2044 2045 - 2047 2049 2047 2048 2050 2052 2050 2051 - 2053 2055 2053 2054 2056 2058 2056 2057 - 2059 2061 2059 2060 2062 2064 2062 2063 - 2065 2067 2065 2066 2068 2070 2068 2069 - 2071 2073 2071 2072 2074 2076 2074 2075 - 2077 2079 2077 2078 2080 2082 2080 2081 - 2083 2085 2083 2084 2086 2088 2086 2087 - 2089 2091 2089 2090 2092 2094 2092 2093 - 2095 2097 2095 2096 2098 2100 2098 2099 - 2101 2103 2101 2102 2104 2106 2104 2105 - 2107 2109 2107 2108 2110 2112 2110 2111 - 2113 2115 2113 2114 2116 2118 2116 2117 - 2119 2121 2119 2120 2122 2124 2122 2123 - 2125 2127 2125 2126 2128 2130 2128 2129 - 2131 2133 2131 2132 2134 2136 2134 2135 - 2137 2139 2137 2138 2140 2142 2140 2141 - 2143 2145 2143 2144 2146 2148 2146 2147 - 2149 2151 2149 2150 2152 2154 2152 2153 - 2155 2157 2155 2156 2158 2160 2158 2159 - 2161 2163 2161 2162 2164 2166 2164 2165 - 2167 2169 2167 2168 2170 2172 2170 2171 - 2173 2175 2173 2174 2176 2178 2176 2177 - 2179 2181 2179 2180 2182 2184 2182 2183 - 2185 2187 2185 2186 2188 2190 2188 2189 - 2191 2193 2191 2192 2194 2196 2194 2195 - 2197 2199 2197 2198 2200 2202 2200 2201 - 2203 2205 2203 2204 2206 2208 2206 2207 - 2209 2211 2209 2210 2212 2214 2212 2213 - 2215 2217 2215 2216 2218 2220 2218 2219 - 2221 2223 2221 2222 2224 2226 2224 2225 - 2227 2229 2227 2228 2230 2232 2230 2231 - 2233 2235 2233 2234 2236 2238 2236 2237 - 2239 2241 2239 2240 2242 2244 2242 2243 - 2245 2247 2245 2246 2248 2250 2248 2249 - 2251 2253 2251 2252 2254 2256 2254 2255 - 2257 2259 2257 2258 2260 2262 2260 2261 - 2263 2265 2263 2264 2266 2268 2266 2267 - 2269 2271 2269 2270 2272 2274 2272 2273 - 2275 2277 2275 2276 2278 2280 2278 2279 - 2281 2283 2281 2282 2284 2286 2284 2285 - 2287 2289 2287 2288 2290 2292 2290 2291 - 2293 2295 2293 2294 2296 2298 2296 2297 - 2299 2301 2299 2300 2302 2304 2302 2303 - 2305 2307 2305 2306 2308 2310 2308 2309 - 2311 2313 2311 2312 2314 2316 2314 2315 - 2317 2319 2317 2318 2320 2322 2320 2321 - 2323 2325 2323 2324 2326 2328 2326 2327 - 2329 2331 2329 2330 2332 2334 2332 2333 - 2335 2337 2335 2336 2338 2340 2338 2339 - 2341 2343 2341 2342 2344 2346 2344 2345 - 2347 2349 2347 2348 2350 2352 2350 2351 - 2353 2355 2353 2354 2356 2358 2356 2357 - 2359 2361 2359 2360 2362 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14788 14790 14792 14791 14793 14795 14794 14796 - 14798 14797 14799 14801 14800 14802 14804 14803 14805 - 14807 14806 14808 14810 14809 14811 14813 14812 14814 - 14816 14815 14817 14819 14818 14820 14822 14821 14823 - 14825 14824 14826 14828 14827 14829 14831 14830 14832 - 14834 14833 14835 14837 14836 14838 14840 14839 14841 - 14843 14842 14844 14846 14845 14847 14849 14848 14850 - 14852 14851 14853 14855 14854 14856 14858 14857 14859 - 14861 14860 14862 14864 14863 14865 14867 14866 14868 - 14870 14869 14871 14873 14872 14874 14876 14875 14877 - 14879 14878 14880 14882 14881 14883 14885 14884 14886 - 14888 14887 14889 14891 14890 14892 14894 14893 14895 - 14897 14896 14898 14900 14899 14901 14903 14902 14904 - 14906 14905 14907 14909 14908 14910 14912 14911 14913 - 14915 14914 14916 14918 14917 14919 14921 14920 14922 - 14924 14923 14925 14927 14926 14928 14930 14929 14931 - 14933 14932 14934 14936 14935 14937 14939 14938 14940 - 14942 14941 14943 14945 14944 14946 14948 14947 14949 - 14951 14950 14952 14954 14953 14955 14957 14956 14958 - 14960 14959 14961 14963 14962 14964 14966 14965 14967 - 14969 14968 14970 14972 14971 14973 14975 14974 14976 - 14978 14977 14979 14981 14980 14982 14984 14983 14985 - 14987 14986 14988 14990 14989 14991 14993 14992 14994 - 14996 14995 14997 14999 14998 15000 15002 15001 15003 - 15005 15004 15006 15008 15007 15009 - - 0 !NPHI: dihedrals - - diff --git a/simulations/equilb_boxes/3x3x1.6nm_3-layer/gomc/u_n_3769/wp_eq_16A.sh b/simulations/equilb_boxes/3x3x1.6nm_3-layer/gomc/u_n_3769/wp_eq_16A.sh deleted file mode 100644 index 770bd2e..0000000 --- a/simulations/equilb_boxes/3x3x1.6nm_3-layer/gomc/u_n_3769/wp_eq_16A.sh +++ /dev/null @@ -1,21 +0,0 @@ -#!/bin/bash - -#SBATCH --job-name 16A_equil -#SBATCH -q primary -#SBATCH -N 1 -#SBATCH -n 8 -#SBATCH --mem=16G -#SBATCH --constraint=intel -#SBATCH --mail-type=ALL -#SBATCH --mail-user=bc118@wayne.edu -#SBATCH -o output_%j.out -#SBATCH -e errors_%j.err -#SBATCH -t 336:0:0 - -echo "Running on host" hostname -echo "Time is" date -module swap gnu7/7.3.0 intel/2019 - -cd /wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/equilb_boxes/3x3x1.6nm_3-layer/gomc/u_n_3769 - -/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC +p8 slit_water_GCMC.conf > slit_water_GCMC.dat diff --git a/simulations/equilb_boxes/3x3x2.0nm_3-layer/gomc/u_n_3769/Output_data_BOX_0_restart.pdb b/simulations/equilb_boxes/3x3x2.0nm_3-layer/gomc/u_n_3769/Output_data_BOX_0_restart.pdb deleted file mode 100644 index fcad45a..0000000 --- a/simulations/equilb_boxes/3x3x2.0nm_3-layer/gomc/u_n_3769/Output_data_BOX_0_restart.pdb +++ /dev/null @@ -1,3588 +0,0 @@ -REMARK GOMC 4.963 0.67340 0.000 50000000 -CRYST1 29.472 29.777 36.750 90.00 90.00 90.00 P 1 1 -ATOM 1 C1 TOP A 1 15.350 15.597 10.050 0.00 1.00 -ATOM 2 C2 TOP A 1 15.350 15.597 13.400 0.00 1.00 -ATOM 3 C3 TOP A 1 15.350 15.597 16.750 0.00 1.00 -ATOM 4 C4 TOP A 1 14.122 17.724 10.050 0.00 1.00 -ATOM 5 C5 TOP A 1 14.122 17.724 13.400 0.00 1.00 -ATOM 6 C6 TOP A 1 14.122 17.724 16.750 0.00 1.00 -ATOM 7 C7 TOP A 1 12.894 19.851 10.050 0.00 1.00 -ATOM 8 C8 TOP A 1 12.894 19.851 13.400 0.00 1.00 -ATOM 9 C9 TOP A 1 12.894 19.851 16.750 0.00 1.00 -ATOM 10 CA TOP A 1 11.666 21.978 10.050 0.00 1.00 -ATOM 11 CB TOP A 1 11.666 21.978 13.400 0.00 1.00 -ATOM 12 CC TOP A 1 11.666 21.978 16.750 0.00 1.00 -ATOM 13 CD TOP A 1 10.438 24.105 10.050 0.00 1.00 -ATOM 14 CE TOP A 1 10.438 24.105 13.400 0.00 1.00 -ATOM 15 CF TOP A 1 10.438 24.105 16.750 0.00 1.00 -ATOM 16 CG TOP A 1 9.210 26.232 10.050 0.00 1.00 -ATOM 17 CH TOP A 1 9.210 26.232 13.400 0.00 1.00 -ATOM 18 CI TOP A 1 9.210 26.232 16.750 0.00 1.00 -ATOM 19 CJ TOP A 1 7.982 28.359 10.050 0.00 1.00 -ATOM 20 CK TOP A 1 7.982 28.359 13.400 0.00 1.00 -ATOM 21 CL TOP A 1 7.982 28.359 16.750 0.00 1.00 -ATOM 22 CM TOP A 1 6.754 0.709 10.050 0.00 1.00 -ATOM 23 CN TOP A 1 6.754 0.709 13.400 0.00 1.00 -ATOM 24 CO TOP A 1 6.754 0.709 16.750 0.00 1.00 -ATOM 25 CP TOP A 1 5.526 2.836 10.050 0.00 1.00 -ATOM 26 CQ TOP A 1 5.526 2.836 13.400 0.00 1.00 -ATOM 27 CR TOP A 1 5.526 2.836 16.750 0.00 1.00 -ATOM 28 CS TOP A 1 4.298 4.963 10.050 0.00 1.00 -ATOM 29 CT TOP A 1 4.298 4.963 13.400 0.00 1.00 -ATOM 30 CU TOP A 1 4.298 4.963 16.750 0.00 1.00 -ATOM 31 CV TOP A 1 3.070 7.090 10.050 0.00 1.00 -ATOM 32 CW TOP A 1 3.070 7.090 13.400 0.00 1.00 -ATOM 33 CX TOP A 1 3.070 7.090 16.750 0.00 1.00 -ATOM 34 CY TOP A 1 1.842 9.217 10.050 0.00 1.00 -ATOM 35 CZ TOP A 1 1.842 9.217 13.400 0.00 1.00 -ATOM 36 Ca TOP A 1 1.842 9.217 16.750 0.00 1.00 -ATOM 37 Cb TOP A 1 0.614 11.344 10.050 0.00 1.00 -ATOM 38 Cc TOP A 1 0.614 11.344 13.400 0.00 1.00 -ATOM 39 Cd TOP A 1 0.614 11.344 16.750 0.00 1.00 -ATOM 40 Ce TOP A 1 28.858 13.471 10.050 0.00 1.00 -ATOM 41 Cf TOP A 1 28.858 13.471 13.400 0.00 1.00 -ATOM 42 Cg TOP A 1 28.858 13.471 16.750 0.00 1.00 -ATOM 43 Ch TOP A 1 17.806 15.597 10.050 0.00 1.00 -ATOM 44 Ci TOP A 1 17.806 15.597 13.400 0.00 1.00 -ATOM 45 Cj TOP A 1 17.806 15.597 16.750 0.00 1.00 -ATOM 46 Ck TOP A 1 16.578 17.724 10.050 0.00 1.00 -ATOM 47 Cl TOP A 1 16.578 17.724 13.400 0.00 1.00 -ATOM 48 Cm TOP A 1 16.578 17.724 16.750 0.00 1.00 -ATOM 49 Cn TOP A 1 15.350 19.851 10.050 0.00 1.00 -ATOM 50 Co TOP A 1 15.350 19.851 13.400 0.00 1.00 -ATOM 51 Cp TOP A 1 15.350 19.851 16.750 0.00 1.00 -ATOM 52 Cq TOP A 1 14.122 21.978 10.050 0.00 1.00 -ATOM 53 Cr TOP A 1 14.122 21.978 13.400 0.00 1.00 -ATOM 54 Cs TOP A 1 14.122 21.978 16.750 0.00 1.00 -ATOM 55 Ct TOP A 1 12.894 24.105 10.050 0.00 1.00 -ATOM 56 Cu TOP A 1 12.894 24.105 13.400 0.00 1.00 -ATOM 57 Cv TOP A 1 12.894 24.105 16.750 0.00 1.00 -ATOM 58 Cw TOP A 1 11.666 26.232 10.050 0.00 1.00 -ATOM 59 Cx TOP A 1 11.666 26.232 13.400 0.00 1.00 -ATOM 60 Cy TOP A 1 11.666 26.232 16.750 0.00 1.00 -ATOM 61 Cz TOP A 1 10.438 28.359 10.050 0.00 1.00 -ATOM 62 C10 TOP A 1 10.438 28.359 13.400 0.00 1.00 -ATOM 63 C11 TOP A 1 10.438 28.359 16.750 0.00 1.00 -ATOM 64 C12 TOP A 1 9.210 0.709 10.050 0.00 1.00 -ATOM 65 C13 TOP A 1 9.210 0.709 13.400 0.00 1.00 -ATOM 66 C14 TOP A 1 9.210 0.709 16.750 0.00 1.00 -ATOM 67 C15 TOP A 1 7.982 2.836 10.050 0.00 1.00 -ATOM 68 C16 TOP A 1 7.982 2.836 13.400 0.00 1.00 -ATOM 69 C17 TOP A 1 7.982 2.836 16.750 0.00 1.00 -ATOM 70 C18 TOP A 1 6.754 4.963 10.050 0.00 1.00 -ATOM 71 C19 TOP A 1 6.754 4.963 13.400 0.00 1.00 -ATOM 72 C1A TOP A 1 6.754 4.963 16.750 0.00 1.00 -ATOM 73 C1B TOP A 1 5.526 7.090 10.050 0.00 1.00 -ATOM 74 C1C TOP A 1 5.526 7.090 13.400 0.00 1.00 -ATOM 75 C1D TOP A 1 5.526 7.090 16.750 0.00 1.00 -ATOM 76 C1E TOP A 1 4.298 9.217 10.050 0.00 1.00 -ATOM 77 C1F TOP A 1 4.298 9.217 13.400 0.00 1.00 -ATOM 78 C1G TOP A 1 4.298 9.217 16.750 0.00 1.00 -ATOM 79 C1H TOP A 1 3.070 11.344 10.050 0.00 1.00 -ATOM 80 C1I TOP A 1 3.070 11.344 13.400 0.00 1.00 -ATOM 81 C1J TOP A 1 3.070 11.344 16.750 0.00 1.00 -ATOM 82 C1K TOP A 1 1.842 13.471 10.050 0.00 1.00 -ATOM 83 C1L TOP A 1 1.842 13.471 13.400 0.00 1.00 -ATOM 84 C1M TOP A 1 1.842 13.471 16.750 0.00 1.00 -ATOM 85 C1N TOP A 1 20.262 15.597 10.050 0.00 1.00 -ATOM 86 C1O TOP A 1 20.262 15.597 13.400 0.00 1.00 -ATOM 87 C1P TOP A 1 20.262 15.597 16.750 0.00 1.00 -ATOM 88 C1Q TOP A 1 19.034 17.724 10.050 0.00 1.00 -ATOM 89 C1R TOP A 1 19.034 17.724 13.400 0.00 1.00 -ATOM 90 C1S TOP A 1 19.034 17.724 16.750 0.00 1.00 -ATOM 91 C1T TOP A 1 17.806 19.851 10.050 0.00 1.00 -ATOM 92 C1U TOP A 1 17.806 19.851 13.400 0.00 1.00 -ATOM 93 C1V TOP A 1 17.806 19.851 16.750 0.00 1.00 -ATOM 94 C1W TOP A 1 16.578 21.978 10.050 0.00 1.00 -ATOM 95 C1X TOP A 1 16.578 21.978 13.400 0.00 1.00 -ATOM 96 C1Y TOP A 1 16.578 21.978 16.750 0.00 1.00 -ATOM 97 C1Z TOP A 1 15.350 24.105 10.050 0.00 1.00 -ATOM 98 C1a TOP A 1 15.350 24.105 13.400 0.00 1.00 -ATOM 99 C1b TOP A 1 15.350 24.105 16.750 0.00 1.00 -ATOM 100 C1c TOP A 1 14.122 26.232 10.050 0.00 1.00 -ATOM 101 C1d TOP A 1 14.122 26.232 13.400 0.00 1.00 -ATOM 102 C1e TOP A 1 14.122 26.232 16.750 0.00 1.00 -ATOM 103 C1f TOP A 1 12.894 28.359 10.050 0.00 1.00 -ATOM 104 C1g TOP A 1 12.894 28.359 13.400 0.00 1.00 -ATOM 105 C1h TOP A 1 12.894 28.359 16.750 0.00 1.00 -ATOM 106 C1i TOP A 1 11.666 0.709 10.050 0.00 1.00 -ATOM 107 C1j TOP A 1 11.666 0.709 13.400 0.00 1.00 -ATOM 108 C1k TOP A 1 11.666 0.709 16.750 0.00 1.00 -ATOM 109 C1l TOP A 1 10.438 2.836 10.050 0.00 1.00 -ATOM 110 C1m TOP A 1 10.438 2.836 13.400 0.00 1.00 -ATOM 111 C1n TOP A 1 10.438 2.836 16.750 0.00 1.00 -ATOM 112 C1o TOP A 1 9.210 4.963 10.050 0.00 1.00 -ATOM 113 C1p TOP A 1 9.210 4.963 13.400 0.00 1.00 -ATOM 114 C1q TOP A 1 9.210 4.963 16.750 0.00 1.00 -ATOM 115 C1r TOP A 1 7.982 7.090 10.050 0.00 1.00 -ATOM 116 C1s TOP A 1 7.982 7.090 13.400 0.00 1.00 -ATOM 117 C1t TOP A 1 7.982 7.090 16.750 0.00 1.00 -ATOM 118 C1u TOP A 1 6.754 9.217 10.050 0.00 1.00 -ATOM 119 C1v TOP A 1 6.754 9.217 13.400 0.00 1.00 -ATOM 120 C1w TOP A 1 6.754 9.217 16.750 0.00 1.00 -ATOM 121 C1x TOP A 1 5.526 11.344 10.050 0.00 1.00 -ATOM 122 C1y TOP A 1 5.526 11.344 13.400 0.00 1.00 -ATOM 123 C1z TOP A 1 5.526 11.344 16.750 0.00 1.00 -ATOM 124 C20 TOP A 1 4.298 13.471 10.050 0.00 1.00 -ATOM 125 C21 TOP A 1 4.298 13.471 13.400 0.00 1.00 -ATOM 126 C22 TOP A 1 4.298 13.471 16.750 0.00 1.00 -ATOM 127 C23 TOP A 1 22.718 15.597 10.050 0.00 1.00 -ATOM 128 C24 TOP A 1 22.718 15.597 13.400 0.00 1.00 -ATOM 129 C25 TOP A 1 22.718 15.597 16.750 0.00 1.00 -ATOM 130 C26 TOP A 1 21.490 17.724 10.050 0.00 1.00 -ATOM 131 C27 TOP A 1 21.490 17.724 13.400 0.00 1.00 -ATOM 132 C28 TOP A 1 21.490 17.724 16.750 0.00 1.00 -ATOM 133 C29 TOP A 1 20.262 19.851 10.050 0.00 1.00 -ATOM 134 C2A TOP A 1 20.262 19.851 13.400 0.00 1.00 -ATOM 135 C2B TOP A 1 20.262 19.851 16.750 0.00 1.00 -ATOM 136 C2C TOP A 1 19.034 21.978 10.050 0.00 1.00 -ATOM 137 C2D TOP A 1 19.034 21.978 13.400 0.00 1.00 -ATOM 138 C2E TOP A 1 19.034 21.978 16.750 0.00 1.00 -ATOM 139 C2F TOP A 1 17.806 24.105 10.050 0.00 1.00 -ATOM 140 C2G TOP A 1 17.806 24.105 13.400 0.00 1.00 -ATOM 141 C2H TOP A 1 17.806 24.105 16.750 0.00 1.00 -ATOM 142 C2I TOP A 1 16.578 26.232 10.050 0.00 1.00 -ATOM 143 C2J TOP A 1 16.578 26.232 13.400 0.00 1.00 -ATOM 144 C2K TOP A 1 16.578 26.232 16.750 0.00 1.00 -ATOM 145 C2L TOP A 1 15.350 28.359 10.050 0.00 1.00 -ATOM 146 C2M TOP A 1 15.350 28.359 13.400 0.00 1.00 -ATOM 147 C2N TOP A 1 15.350 28.359 16.750 0.00 1.00 -ATOM 148 C2O TOP A 1 14.122 0.709 10.050 0.00 1.00 -ATOM 149 C2P TOP A 1 14.122 0.709 13.400 0.00 1.00 -ATOM 150 C2Q TOP A 1 14.122 0.709 16.750 0.00 1.00 -ATOM 151 C2R TOP A 1 12.894 2.836 10.050 0.00 1.00 -ATOM 152 C2S TOP A 1 12.894 2.836 13.400 0.00 1.00 -ATOM 153 C2T TOP A 1 12.894 2.836 16.750 0.00 1.00 -ATOM 154 C2U TOP A 1 11.666 4.963 10.050 0.00 1.00 -ATOM 155 C2V TOP A 1 11.666 4.963 13.400 0.00 1.00 -ATOM 156 C2W TOP A 1 11.666 4.963 16.750 0.00 1.00 -ATOM 157 C2X TOP A 1 10.438 7.090 10.050 0.00 1.00 -ATOM 158 C2Y TOP A 1 10.438 7.090 13.400 0.00 1.00 -ATOM 159 C2Z TOP A 1 10.438 7.090 16.750 0.00 1.00 -ATOM 160 C2a TOP A 1 9.210 9.217 10.050 0.00 1.00 -ATOM 161 C2b TOP A 1 9.210 9.217 13.400 0.00 1.00 -ATOM 162 C2c TOP A 1 9.210 9.217 16.750 0.00 1.00 -ATOM 163 C2d TOP A 1 7.982 11.344 10.050 0.00 1.00 -ATOM 164 C2e TOP A 1 7.982 11.344 13.400 0.00 1.00 -ATOM 165 C2f TOP A 1 7.982 11.344 16.750 0.00 1.00 -ATOM 166 C2g TOP A 1 6.754 13.471 10.050 0.00 1.00 -ATOM 167 C2h TOP A 1 6.754 13.471 13.400 0.00 1.00 -ATOM 168 C2i TOP A 1 6.754 13.471 16.750 0.00 1.00 -ATOM 169 C2j TOP A 1 25.174 15.597 10.050 0.00 1.00 -ATOM 170 C2k TOP A 1 25.174 15.597 13.400 0.00 1.00 -ATOM 171 C2l TOP A 1 25.174 15.597 16.750 0.00 1.00 -ATOM 172 C2m TOP A 1 23.946 17.724 10.050 0.00 1.00 -ATOM 173 C2n TOP A 1 23.946 17.724 13.400 0.00 1.00 -ATOM 174 C2o TOP A 1 23.946 17.724 16.750 0.00 1.00 -ATOM 175 C2p TOP A 1 22.718 19.851 10.050 0.00 1.00 -ATOM 176 C2q TOP A 1 22.718 19.851 13.400 0.00 1.00 -ATOM 177 C2r TOP A 1 22.718 19.851 16.750 0.00 1.00 -ATOM 178 C2s TOP A 1 21.490 21.978 10.050 0.00 1.00 -ATOM 179 C2t TOP A 1 21.490 21.978 13.400 0.00 1.00 -ATOM 180 C2u TOP A 1 21.490 21.978 16.750 0.00 1.00 -ATOM 181 C2v TOP A 1 20.262 24.105 10.050 0.00 1.00 -ATOM 182 C2w TOP A 1 20.262 24.105 13.400 0.00 1.00 -ATOM 183 C2x TOP A 1 20.262 24.105 16.750 0.00 1.00 -ATOM 184 C2y TOP A 1 19.034 26.232 10.050 0.00 1.00 -ATOM 185 C2z TOP A 1 19.034 26.232 13.400 0.00 1.00 -ATOM 186 C30 TOP A 1 19.034 26.232 16.750 0.00 1.00 -ATOM 187 C31 TOP A 1 17.806 28.359 10.050 0.00 1.00 -ATOM 188 C32 TOP A 1 17.806 28.359 13.400 0.00 1.00 -ATOM 189 C33 TOP A 1 17.806 28.359 16.750 0.00 1.00 -ATOM 190 C34 TOP A 1 16.578 0.709 10.050 0.00 1.00 -ATOM 191 C35 TOP A 1 16.578 0.709 13.400 0.00 1.00 -ATOM 192 C36 TOP A 1 16.578 0.709 16.750 0.00 1.00 -ATOM 193 C37 TOP A 1 15.350 2.836 10.050 0.00 1.00 -ATOM 194 C38 TOP A 1 15.350 2.836 13.400 0.00 1.00 -ATOM 195 C39 TOP A 1 15.350 2.836 16.750 0.00 1.00 -ATOM 196 C3A TOP A 1 14.122 4.963 10.050 0.00 1.00 -ATOM 197 C3B TOP A 1 14.122 4.963 13.400 0.00 1.00 -ATOM 198 C3C TOP A 1 14.122 4.963 16.750 0.00 1.00 -ATOM 199 C3D TOP A 1 12.894 7.090 10.050 0.00 1.00 -ATOM 200 C3E TOP A 1 12.894 7.090 13.400 0.00 1.00 -ATOM 201 C3F TOP A 1 12.894 7.090 16.750 0.00 1.00 -ATOM 202 C3G TOP A 1 11.666 9.217 10.050 0.00 1.00 -ATOM 203 C3H TOP A 1 11.666 9.217 13.400 0.00 1.00 -ATOM 204 C3I TOP A 1 11.666 9.217 16.750 0.00 1.00 -ATOM 205 C3J TOP A 1 10.438 11.344 10.050 0.00 1.00 -ATOM 206 C3K TOP A 1 10.438 11.344 13.400 0.00 1.00 -ATOM 207 C3L TOP A 1 10.438 11.344 16.750 0.00 1.00 -ATOM 208 C3M TOP A 1 9.210 13.471 10.050 0.00 1.00 -ATOM 209 C3N TOP A 1 9.210 13.471 13.400 0.00 1.00 -ATOM 210 C3O TOP A 1 9.210 13.471 16.750 0.00 1.00 -ATOM 211 C3P TOP A 1 27.630 15.597 10.050 0.00 1.00 -ATOM 212 C3Q TOP A 1 27.630 15.597 13.400 0.00 1.00 -ATOM 213 C3R TOP A 1 27.630 15.597 16.750 0.00 1.00 -ATOM 214 C3S TOP A 1 26.402 17.724 10.050 0.00 1.00 -ATOM 215 C3T TOP A 1 26.402 17.724 13.400 0.00 1.00 -ATOM 216 C3U TOP A 1 26.402 17.724 16.750 0.00 1.00 -ATOM 217 C3V TOP A 1 25.174 19.851 10.050 0.00 1.00 -ATOM 218 C3W TOP A 1 25.174 19.851 13.400 0.00 1.00 -ATOM 219 C3X TOP A 1 25.174 19.851 16.750 0.00 1.00 -ATOM 220 C3Y TOP A 1 23.946 21.978 10.050 0.00 1.00 -ATOM 221 C3Z TOP A 1 23.946 21.978 13.400 0.00 1.00 -ATOM 222 C3a TOP A 1 23.946 21.978 16.750 0.00 1.00 -ATOM 223 C3b TOP A 1 22.718 24.105 10.050 0.00 1.00 -ATOM 224 C3c TOP A 1 22.718 24.105 13.400 0.00 1.00 -ATOM 225 C3d TOP A 1 22.718 24.105 16.750 0.00 1.00 -ATOM 226 C3e TOP A 1 21.490 26.232 10.050 0.00 1.00 -ATOM 227 C3f TOP A 1 21.490 26.232 13.400 0.00 1.00 -ATOM 228 C3g TOP A 1 21.490 26.232 16.750 0.00 1.00 -ATOM 229 C3h TOP A 1 20.262 28.359 10.050 0.00 1.00 -ATOM 230 C3i TOP A 1 20.262 28.359 13.400 0.00 1.00 -ATOM 231 C3j TOP A 1 20.262 28.359 16.750 0.00 1.00 -ATOM 232 C3k TOP A 1 19.034 0.709 10.050 0.00 1.00 -ATOM 233 C3l TOP A 1 19.034 0.709 13.400 0.00 1.00 -ATOM 234 C3m TOP A 1 19.034 0.709 16.750 0.00 1.00 -ATOM 235 C3n TOP A 1 17.806 2.836 10.050 0.00 1.00 -ATOM 236 C3o TOP A 1 17.806 2.836 13.400 0.00 1.00 -ATOM 237 C3p TOP A 1 17.806 2.836 16.750 0.00 1.00 -ATOM 238 C3q TOP A 1 16.578 4.963 10.050 0.00 1.00 -ATOM 239 C3r TOP A 1 16.578 4.963 13.400 0.00 1.00 -ATOM 240 C3s TOP A 1 16.578 4.963 16.750 0.00 1.00 -ATOM 241 C3t TOP A 1 15.350 7.090 10.050 0.00 1.00 -ATOM 242 C3u TOP A 1 15.350 7.090 13.400 0.00 1.00 -ATOM 243 C3v TOP A 1 15.350 7.090 16.750 0.00 1.00 -ATOM 244 C3w TOP A 1 14.122 9.217 10.050 0.00 1.00 -ATOM 245 C3x TOP A 1 14.122 9.217 13.400 0.00 1.00 -ATOM 246 C3y TOP A 1 14.122 9.217 16.750 0.00 1.00 -ATOM 247 C3z TOP A 1 12.894 11.344 10.050 0.00 1.00 -ATOM 248 C40 TOP A 1 12.894 11.344 13.400 0.00 1.00 -ATOM 249 C41 TOP A 1 12.894 11.344 16.750 0.00 1.00 -ATOM 250 C42 TOP A 1 11.666 13.471 10.050 0.00 1.00 -ATOM 251 C43 TOP A 1 11.666 13.471 13.400 0.00 1.00 -ATOM 252 C44 TOP A 1 11.666 13.471 16.750 0.00 1.00 -ATOM 253 C45 TOP A 1 0.614 15.597 10.050 0.00 1.00 -ATOM 254 C46 TOP A 1 0.614 15.597 13.400 0.00 1.00 -ATOM 255 C47 TOP A 1 0.614 15.597 16.750 0.00 1.00 -ATOM 256 C48 TOP A 1 28.858 17.724 10.050 0.00 1.00 -ATOM 257 C49 TOP A 1 28.858 17.724 13.400 0.00 1.00 -ATOM 258 C4A TOP A 1 28.858 17.724 16.750 0.00 1.00 -ATOM 259 C4B TOP A 1 27.630 19.851 10.050 0.00 1.00 -ATOM 260 C4C TOP A 1 27.630 19.851 13.400 0.00 1.00 -ATOM 261 C4D TOP A 1 27.630 19.851 16.750 0.00 1.00 -ATOM 262 C4E TOP A 1 26.402 21.978 10.050 0.00 1.00 -ATOM 263 C4F TOP A 1 26.402 21.978 13.400 0.00 1.00 -ATOM 264 C4G TOP A 1 26.402 21.978 16.750 0.00 1.00 -ATOM 265 C4H TOP A 1 25.174 24.105 10.050 0.00 1.00 -ATOM 266 C4I TOP A 1 25.174 24.105 13.400 0.00 1.00 -ATOM 267 C4J TOP A 1 25.174 24.105 16.750 0.00 1.00 -ATOM 268 C4K TOP A 1 23.946 26.232 10.050 0.00 1.00 -ATOM 269 C4L TOP A 1 23.946 26.232 13.400 0.00 1.00 -ATOM 270 C4M TOP A 1 23.946 26.232 16.750 0.00 1.00 -ATOM 271 C4N TOP A 1 22.718 28.359 10.050 0.00 1.00 -ATOM 272 C4O TOP A 1 22.718 28.359 13.400 0.00 1.00 -ATOM 273 C4P TOP A 1 22.718 28.359 16.750 0.00 1.00 -ATOM 274 C4Q TOP A 1 21.490 0.709 10.050 0.00 1.00 -ATOM 275 C4R TOP A 1 21.490 0.709 13.400 0.00 1.00 -ATOM 276 C4S TOP A 1 21.490 0.709 16.750 0.00 1.00 -ATOM 277 C4T TOP A 1 20.262 2.836 10.050 0.00 1.00 -ATOM 278 C4U TOP A 1 20.262 2.836 13.400 0.00 1.00 -ATOM 279 C4V TOP A 1 20.262 2.836 16.750 0.00 1.00 -ATOM 280 C4W TOP A 1 19.034 4.963 10.050 0.00 1.00 -ATOM 281 C4X TOP A 1 19.034 4.963 13.400 0.00 1.00 -ATOM 282 C4Y TOP A 1 19.034 4.963 16.750 0.00 1.00 -ATOM 283 C4Z TOP A 1 17.806 7.090 10.050 0.00 1.00 -ATOM 284 C4a TOP A 1 17.806 7.090 13.400 0.00 1.00 -ATOM 285 C4b TOP A 1 17.806 7.090 16.750 0.00 1.00 -ATOM 286 C4c TOP A 1 16.578 9.217 10.050 0.00 1.00 -ATOM 287 C4d TOP A 1 16.578 9.217 13.400 0.00 1.00 -ATOM 288 C4e TOP A 1 16.578 9.217 16.750 0.00 1.00 -ATOM 289 C4f TOP A 1 15.350 11.344 10.050 0.00 1.00 -ATOM 290 C4g TOP A 1 15.350 11.344 13.400 0.00 1.00 -ATOM 291 C4h TOP A 1 15.350 11.344 16.750 0.00 1.00 -ATOM 292 C4i TOP A 1 14.122 13.471 10.050 0.00 1.00 -ATOM 293 C4j TOP A 1 14.122 13.471 13.400 0.00 1.00 -ATOM 294 C4k TOP A 1 14.122 13.471 16.750 0.00 1.00 -ATOM 295 C4l TOP A 1 3.070 15.597 10.050 0.00 1.00 -ATOM 296 C4m TOP A 1 3.070 15.597 13.400 0.00 1.00 -ATOM 297 C4n TOP A 1 3.070 15.597 16.750 0.00 1.00 -ATOM 298 C4o TOP A 1 1.842 17.724 10.050 0.00 1.00 -ATOM 299 C4p TOP A 1 1.842 17.724 13.400 0.00 1.00 -ATOM 300 C4q TOP A 1 1.842 17.724 16.750 0.00 1.00 -ATOM 301 C4r TOP A 1 0.614 19.851 10.050 0.00 1.00 -ATOM 302 C4s TOP A 1 0.614 19.851 13.400 0.00 1.00 -ATOM 303 C4t TOP A 1 0.614 19.851 16.750 0.00 1.00 -ATOM 304 C4u TOP A 1 28.858 21.978 10.050 0.00 1.00 -ATOM 305 C4v TOP A 1 28.858 21.978 13.400 0.00 1.00 -ATOM 306 C4w TOP A 1 28.858 21.978 16.750 0.00 1.00 -ATOM 307 C4x TOP A 1 27.630 24.105 10.050 0.00 1.00 -ATOM 308 C4y TOP A 1 27.630 24.105 13.400 0.00 1.00 -ATOM 309 C4z TOP A 1 27.630 24.105 16.750 0.00 1.00 -ATOM 310 C50 TOP A 1 26.402 26.232 10.050 0.00 1.00 -ATOM 311 C51 TOP A 1 26.402 26.232 13.400 0.00 1.00 -ATOM 312 C52 TOP A 1 26.402 26.232 16.750 0.00 1.00 -ATOM 313 C53 TOP A 1 25.174 28.359 10.050 0.00 1.00 -ATOM 314 C54 TOP A 1 25.174 28.359 13.400 0.00 1.00 -ATOM 315 C55 TOP A 1 25.174 28.359 16.750 0.00 1.00 -ATOM 316 C56 TOP A 1 23.946 0.709 10.050 0.00 1.00 -ATOM 317 C57 TOP A 1 23.946 0.709 13.400 0.00 1.00 -ATOM 318 C58 TOP A 1 23.946 0.709 16.750 0.00 1.00 -ATOM 319 C59 TOP A 1 22.718 2.836 10.050 0.00 1.00 -ATOM 320 C5A TOP A 1 22.718 2.836 13.400 0.00 1.00 -ATOM 321 C5B TOP A 1 22.718 2.836 16.750 0.00 1.00 -ATOM 322 C5C TOP A 1 21.490 4.963 10.050 0.00 1.00 -ATOM 323 C5D TOP A 1 21.490 4.963 13.400 0.00 1.00 -ATOM 324 C5E TOP A 1 21.490 4.963 16.750 0.00 1.00 -ATOM 325 C5F TOP A 1 20.262 7.090 10.050 0.00 1.00 -ATOM 326 C5G TOP A 1 20.262 7.090 13.400 0.00 1.00 -ATOM 327 C5H TOP A 1 20.262 7.090 16.750 0.00 1.00 -ATOM 328 C5I TOP A 1 19.034 9.217 10.050 0.00 1.00 -ATOM 329 C5J TOP A 1 19.034 9.217 13.400 0.00 1.00 -ATOM 330 C5K TOP A 1 19.034 9.217 16.750 0.00 1.00 -ATOM 331 C5L TOP A 1 17.806 11.344 10.050 0.00 1.00 -ATOM 332 C5M TOP A 1 17.806 11.344 13.400 0.00 1.00 -ATOM 333 C5N TOP A 1 17.806 11.344 16.750 0.00 1.00 -ATOM 334 C5O TOP A 1 16.578 13.471 10.050 0.00 1.00 -ATOM 335 C5P TOP A 1 16.578 13.471 13.400 0.00 1.00 -ATOM 336 C5Q TOP A 1 16.578 13.471 16.750 0.00 1.00 -ATOM 337 C5R TOP A 1 5.526 15.597 10.050 0.00 1.00 -ATOM 338 C5S TOP A 1 5.526 15.597 13.400 0.00 1.00 -ATOM 339 C5T TOP A 1 5.526 15.597 16.750 0.00 1.00 -ATOM 340 C5U TOP A 1 4.298 17.724 10.050 0.00 1.00 -ATOM 341 C5V TOP A 1 4.298 17.724 13.400 0.00 1.00 -ATOM 342 C5W TOP A 1 4.298 17.724 16.750 0.00 1.00 -ATOM 343 C5X TOP A 1 3.070 19.851 10.050 0.00 1.00 -ATOM 344 C5Y TOP A 1 3.070 19.851 13.400 0.00 1.00 -ATOM 345 C5Z TOP A 1 3.070 19.851 16.750 0.00 1.00 -ATOM 346 C5a TOP A 1 1.842 21.978 10.050 0.00 1.00 -ATOM 347 C5b TOP A 1 1.842 21.978 13.400 0.00 1.00 -ATOM 348 C5c TOP A 1 1.842 21.978 16.750 0.00 1.00 -ATOM 349 C5d TOP A 1 0.614 24.105 10.050 0.00 1.00 -ATOM 350 C5e TOP A 1 0.614 24.105 13.400 0.00 1.00 -ATOM 351 C5f TOP A 1 0.614 24.105 16.750 0.00 1.00 -ATOM 352 C5g TOP A 1 28.858 26.232 10.050 0.00 1.00 -ATOM 353 C5h TOP A 1 28.858 26.232 13.400 0.00 1.00 -ATOM 354 C5i TOP A 1 28.858 26.232 16.750 0.00 1.00 -ATOM 355 C5j TOP A 1 27.630 28.359 10.050 0.00 1.00 -ATOM 356 C5k TOP A 1 27.630 28.359 13.400 0.00 1.00 -ATOM 357 C5l TOP A 1 27.630 28.359 16.750 0.00 1.00 -ATOM 358 C5m TOP A 1 26.402 0.709 10.050 0.00 1.00 -ATOM 359 C5n TOP A 1 26.402 0.709 13.400 0.00 1.00 -ATOM 360 C5o TOP A 1 26.402 0.709 16.750 0.00 1.00 -ATOM 361 C5p TOP A 1 25.174 2.836 10.050 0.00 1.00 -ATOM 362 C5q TOP A 1 25.174 2.836 13.400 0.00 1.00 -ATOM 363 C5r TOP A 1 25.174 2.836 16.750 0.00 1.00 -ATOM 364 C5s TOP A 1 23.946 4.963 10.050 0.00 1.00 -ATOM 365 C5t TOP A 1 23.946 4.963 13.400 0.00 1.00 -ATOM 366 C5u TOP A 1 23.946 4.963 16.750 0.00 1.00 -ATOM 367 C5v TOP A 1 22.718 7.090 10.050 0.00 1.00 -ATOM 368 C5w TOP A 1 22.718 7.090 13.400 0.00 1.00 -ATOM 369 C5x TOP A 1 22.718 7.090 16.750 0.00 1.00 -ATOM 370 C5y TOP A 1 21.490 9.217 10.050 0.00 1.00 -ATOM 371 C5z TOP A 1 21.490 9.217 13.400 0.00 1.00 -ATOM 372 C60 TOP A 1 21.490 9.217 16.750 0.00 1.00 -ATOM 373 C61 TOP A 1 20.262 11.344 10.050 0.00 1.00 -ATOM 374 C62 TOP A 1 20.262 11.344 13.400 0.00 1.00 -ATOM 375 C63 TOP A 1 20.262 11.344 16.750 0.00 1.00 -ATOM 376 C64 TOP A 1 19.034 13.471 10.050 0.00 1.00 -ATOM 377 C65 TOP A 1 19.034 13.471 13.400 0.00 1.00 -ATOM 378 C66 TOP A 1 19.034 13.471 16.750 0.00 1.00 -ATOM 379 C67 TOP A 1 7.982 15.597 10.050 0.00 1.00 -ATOM 380 C68 TOP A 1 7.982 15.597 13.400 0.00 1.00 -ATOM 381 C69 TOP A 1 7.982 15.597 16.750 0.00 1.00 -ATOM 382 C6A TOP A 1 6.754 17.724 10.050 0.00 1.00 -ATOM 383 C6B TOP A 1 6.754 17.724 13.400 0.00 1.00 -ATOM 384 C6C TOP A 1 6.754 17.724 16.750 0.00 1.00 -ATOM 385 C6D TOP A 1 5.526 19.851 10.050 0.00 1.00 -ATOM 386 C6E TOP A 1 5.526 19.851 13.400 0.00 1.00 -ATOM 387 C6F TOP A 1 5.526 19.851 16.750 0.00 1.00 -ATOM 388 C6G TOP A 1 4.298 21.978 10.050 0.00 1.00 -ATOM 389 C6H TOP A 1 4.298 21.978 13.400 0.00 1.00 -ATOM 390 C6I TOP A 1 4.298 21.978 16.750 0.00 1.00 -ATOM 391 C6J TOP A 1 3.070 24.105 10.050 0.00 1.00 -ATOM 392 C6K TOP A 1 3.070 24.105 13.400 0.00 1.00 -ATOM 393 C6L TOP A 1 3.070 24.105 16.750 0.00 1.00 -ATOM 394 C6M TOP A 1 1.842 26.232 10.050 0.00 1.00 -ATOM 395 C6N TOP A 1 1.842 26.232 13.400 0.00 1.00 -ATOM 396 C6O TOP A 1 1.842 26.232 16.750 0.00 1.00 -ATOM 397 C6P TOP A 1 0.614 28.359 10.050 0.00 1.00 -ATOM 398 C6Q TOP A 1 0.614 28.359 13.400 0.00 1.00 -ATOM 399 C6R TOP A 1 0.614 28.359 16.750 0.00 1.00 -ATOM 400 C6S TOP A 1 28.858 0.709 10.050 0.00 1.00 -ATOM 401 C6T TOP A 1 28.858 0.709 13.400 0.00 1.00 -ATOM 402 C6U TOP A 1 28.858 0.709 16.750 0.00 1.00 -ATOM 403 C6V TOP A 1 27.630 2.836 10.050 0.00 1.00 -ATOM 404 C6W TOP A 1 27.630 2.836 13.400 0.00 1.00 -ATOM 405 C6X TOP A 1 27.630 2.836 16.750 0.00 1.00 -ATOM 406 C6Y TOP A 1 26.402 4.963 10.050 0.00 1.00 -ATOM 407 C6Z TOP A 1 26.402 4.963 13.400 0.00 1.00 -ATOM 408 C6a TOP A 1 26.402 4.963 16.750 0.00 1.00 -ATOM 409 C6b TOP A 1 25.174 7.090 10.050 0.00 1.00 -ATOM 410 C6c TOP A 1 25.174 7.090 13.400 0.00 1.00 -ATOM 411 C6d TOP A 1 25.174 7.090 16.750 0.00 1.00 -ATOM 412 C6e TOP A 1 23.946 9.217 10.050 0.00 1.00 -ATOM 413 C6f TOP A 1 23.946 9.217 13.400 0.00 1.00 -ATOM 414 C6g TOP A 1 23.946 9.217 16.750 0.00 1.00 -ATOM 415 C6h TOP A 1 22.718 11.344 10.050 0.00 1.00 -ATOM 416 C6i TOP A 1 22.718 11.344 13.400 0.00 1.00 -ATOM 417 C6j TOP A 1 22.718 11.344 16.750 0.00 1.00 -ATOM 418 C6k TOP A 1 21.490 13.471 10.050 0.00 1.00 -ATOM 419 C6l TOP A 1 21.490 13.471 13.400 0.00 1.00 -ATOM 420 C6m TOP A 1 21.490 13.471 16.750 0.00 1.00 -ATOM 421 C6n TOP A 1 10.438 15.597 10.050 0.00 1.00 -ATOM 422 C6o TOP A 1 10.438 15.597 13.400 0.00 1.00 -ATOM 423 C6p TOP A 1 10.438 15.597 16.750 0.00 1.00 -ATOM 424 C6q TOP A 1 9.210 17.724 10.050 0.00 1.00 -ATOM 425 C6r TOP A 1 9.210 17.724 13.400 0.00 1.00 -ATOM 426 C6s TOP A 1 9.210 17.724 16.750 0.00 1.00 -ATOM 427 C6t TOP A 1 7.982 19.851 10.050 0.00 1.00 -ATOM 428 C6u TOP A 1 7.982 19.851 13.400 0.00 1.00 -ATOM 429 C6v TOP A 1 7.982 19.851 16.750 0.00 1.00 -ATOM 430 C6w TOP A 1 6.754 21.978 10.050 0.00 1.00 -ATOM 431 C6x TOP A 1 6.754 21.978 13.400 0.00 1.00 -ATOM 432 C6y TOP A 1 6.754 21.978 16.750 0.00 1.00 -ATOM 433 C6z TOP A 1 5.526 24.105 10.050 0.00 1.00 -ATOM 434 C70 TOP A 1 5.526 24.105 13.400 0.00 1.00 -ATOM 435 C71 TOP A 1 5.526 24.105 16.750 0.00 1.00 -ATOM 436 C72 TOP A 1 4.298 26.232 10.050 0.00 1.00 -ATOM 437 C73 TOP A 1 4.298 26.232 13.400 0.00 1.00 -ATOM 438 C74 TOP A 1 4.298 26.232 16.750 0.00 1.00 -ATOM 439 C75 TOP A 1 3.070 28.359 10.050 0.00 1.00 -ATOM 440 C76 TOP A 1 3.070 28.359 13.400 0.00 1.00 -ATOM 441 C77 TOP A 1 3.070 28.359 16.750 0.00 1.00 -ATOM 442 C78 TOP A 1 1.842 0.709 10.050 0.00 1.00 -ATOM 443 C79 TOP A 1 1.842 0.709 13.400 0.00 1.00 -ATOM 444 C7A TOP A 1 1.842 0.709 16.750 0.00 1.00 -ATOM 445 C7B TOP A 1 0.614 2.836 10.050 0.00 1.00 -ATOM 446 C7C TOP A 1 0.614 2.836 13.400 0.00 1.00 -ATOM 447 C7D TOP A 1 0.614 2.836 16.750 0.00 1.00 -ATOM 448 C7E TOP A 1 28.858 4.963 10.050 0.00 1.00 -ATOM 449 C7F TOP A 1 28.858 4.963 13.400 0.00 1.00 -ATOM 450 C7G TOP A 1 28.858 4.963 16.750 0.00 1.00 -ATOM 451 C7H TOP A 1 27.630 7.090 10.050 0.00 1.00 -ATOM 452 C7I TOP A 1 27.630 7.090 13.400 0.00 1.00 -ATOM 453 C7J TOP A 1 27.630 7.090 16.750 0.00 1.00 -ATOM 454 C7K TOP A 1 26.402 9.217 10.050 0.00 1.00 -ATOM 455 C7L TOP A 1 26.402 9.217 13.400 0.00 1.00 -ATOM 456 C7M TOP A 1 26.402 9.217 16.750 0.00 1.00 -ATOM 457 C7N TOP A 1 25.174 11.344 10.050 0.00 1.00 -ATOM 458 C7O TOP A 1 25.174 11.344 13.400 0.00 1.00 -ATOM 459 C7P TOP A 1 25.174 11.344 16.750 0.00 1.00 -ATOM 460 C7Q TOP A 1 23.946 13.471 10.050 0.00 1.00 -ATOM 461 C7R TOP A 1 23.946 13.471 13.400 0.00 1.00 -ATOM 462 C7S TOP A 1 23.946 13.471 16.750 0.00 1.00 -ATOM 463 C7T TOP A 1 12.894 15.597 10.050 0.00 1.00 -ATOM 464 C7U TOP A 1 12.894 15.597 13.400 0.00 1.00 -ATOM 465 C7V TOP A 1 12.894 15.597 16.750 0.00 1.00 -ATOM 466 C7W TOP A 1 11.666 17.724 10.050 0.00 1.00 -ATOM 467 C7X TOP A 1 11.666 17.724 13.400 0.00 1.00 -ATOM 468 C7Y TOP A 1 11.666 17.724 16.750 0.00 1.00 -ATOM 469 C7Z TOP A 1 10.438 19.851 10.050 0.00 1.00 -ATOM 470 C7a TOP A 1 10.438 19.851 13.400 0.00 1.00 -ATOM 471 C7b TOP A 1 10.438 19.851 16.750 0.00 1.00 -ATOM 472 C7c TOP A 1 9.210 21.978 10.050 0.00 1.00 -ATOM 473 C7d TOP A 1 9.210 21.978 13.400 0.00 1.00 -ATOM 474 C7e TOP A 1 9.210 21.978 16.750 0.00 1.00 -ATOM 475 C7f TOP A 1 7.982 24.105 10.050 0.00 1.00 -ATOM 476 C7g TOP A 1 7.982 24.105 13.400 0.00 1.00 -ATOM 477 C7h TOP A 1 7.982 24.105 16.750 0.00 1.00 -ATOM 478 C7i TOP A 1 6.754 26.232 10.050 0.00 1.00 -ATOM 479 C7j TOP A 1 6.754 26.232 13.400 0.00 1.00 -ATOM 480 C7k TOP A 1 6.754 26.232 16.750 0.00 1.00 -ATOM 481 C7l TOP A 1 5.526 28.359 10.050 0.00 1.00 -ATOM 482 C7m TOP A 1 5.526 28.359 13.400 0.00 1.00 -ATOM 483 C7n TOP A 1 5.526 28.359 16.750 0.00 1.00 -ATOM 484 C7o TOP A 1 4.298 0.709 10.050 0.00 1.00 -ATOM 485 C7p TOP A 1 4.298 0.709 13.400 0.00 1.00 -ATOM 486 C7q TOP A 1 4.298 0.709 16.750 0.00 1.00 -ATOM 487 C7r TOP A 1 3.070 2.836 10.050 0.00 1.00 -ATOM 488 C7s TOP A 1 3.070 2.836 13.400 0.00 1.00 -ATOM 489 C7t TOP A 1 3.070 2.836 16.750 0.00 1.00 -ATOM 490 C7u TOP A 1 1.842 4.963 10.050 0.00 1.00 -ATOM 491 C7v TOP A 1 1.842 4.963 13.400 0.00 1.00 -ATOM 492 C7w TOP A 1 1.842 4.963 16.750 0.00 1.00 -ATOM 493 C7x TOP A 1 0.614 7.090 10.050 0.00 1.00 -ATOM 494 C7y TOP A 1 0.614 7.090 13.400 0.00 1.00 -ATOM 495 C7z TOP A 1 0.614 7.090 16.750 0.00 1.00 -ATOM 496 C80 TOP A 1 28.858 9.217 10.050 0.00 1.00 -ATOM 497 C81 TOP A 1 28.858 9.217 13.400 0.00 1.00 -ATOM 498 C82 TOP A 1 28.858 9.217 16.750 0.00 1.00 -ATOM 499 C83 TOP A 1 27.630 11.344 10.050 0.00 1.00 -ATOM 500 C84 TOP A 1 27.630 11.344 13.400 0.00 1.00 -ATOM 501 C85 TOP A 1 27.630 11.344 16.750 0.00 1.00 -ATOM 502 C86 TOP A 1 26.402 13.471 10.050 0.00 1.00 -ATOM 503 C87 TOP A 1 26.402 13.471 13.400 0.00 1.00 -ATOM 504 C88 TOP A 1 26.402 13.471 16.750 0.00 1.00 -ATOM 505 C89 TOP A 1 16.578 16.306 10.050 0.00 1.00 -ATOM 506 C8A TOP A 1 16.578 16.306 13.400 0.00 1.00 -ATOM 507 C8B TOP A 1 16.578 16.306 16.750 0.00 1.00 -ATOM 508 C8C TOP A 1 15.350 18.433 10.050 0.00 1.00 -ATOM 509 C8D TOP A 1 15.350 18.433 13.400 0.00 1.00 -ATOM 510 C8E TOP A 1 15.350 18.433 16.750 0.00 1.00 -ATOM 511 C8F TOP A 1 14.122 20.560 10.050 0.00 1.00 -ATOM 512 C8G TOP A 1 14.122 20.560 13.400 0.00 1.00 -ATOM 513 C8H TOP A 1 14.122 20.560 16.750 0.00 1.00 -ATOM 514 C8I TOP A 1 12.894 22.687 10.050 0.00 1.00 -ATOM 515 C8J TOP A 1 12.894 22.687 13.400 0.00 1.00 -ATOM 516 C8K TOP A 1 12.894 22.687 16.750 0.00 1.00 -ATOM 517 C8L TOP A 1 11.666 24.814 10.050 0.00 1.00 -ATOM 518 C8M TOP A 1 11.666 24.814 13.400 0.00 1.00 -ATOM 519 C8N TOP A 1 11.666 24.814 16.750 0.00 1.00 -ATOM 520 C8O TOP A 1 10.438 26.941 10.050 0.00 1.00 -ATOM 521 C8P TOP A 1 10.438 26.941 13.400 0.00 1.00 -ATOM 522 C8Q TOP A 1 10.438 26.941 16.750 0.00 1.00 -ATOM 523 C8R TOP A 1 9.210 29.068 10.050 0.00 1.00 -ATOM 524 C8S TOP A 1 9.210 29.068 13.400 0.00 1.00 -ATOM 525 C8T TOP A 1 9.210 29.068 16.750 0.00 1.00 -ATOM 526 C8U TOP A 1 7.982 1.418 10.050 0.00 1.00 -ATOM 527 C8V TOP A 1 7.982 1.418 13.400 0.00 1.00 -ATOM 528 C8W TOP A 1 7.982 1.418 16.750 0.00 1.00 -ATOM 529 C8X TOP A 1 6.754 3.545 10.050 0.00 1.00 -ATOM 530 C8Y TOP A 1 6.754 3.545 13.400 0.00 1.00 -ATOM 531 C8Z TOP A 1 6.754 3.545 16.750 0.00 1.00 -ATOM 532 C8a TOP A 1 5.526 5.672 10.050 0.00 1.00 -ATOM 533 C8b TOP A 1 5.526 5.672 13.400 0.00 1.00 -ATOM 534 C8c TOP A 1 5.526 5.672 16.750 0.00 1.00 -ATOM 535 C8d TOP A 1 4.298 7.799 10.050 0.00 1.00 -ATOM 536 C8e TOP A 1 4.298 7.799 13.400 0.00 1.00 -ATOM 537 C8f TOP A 1 4.298 7.799 16.750 0.00 1.00 -ATOM 538 C8g TOP A 1 3.070 9.926 10.050 0.00 1.00 -ATOM 539 C8h TOP A 1 3.070 9.926 13.400 0.00 1.00 -ATOM 540 C8i TOP A 1 3.070 9.926 16.750 0.00 1.00 -ATOM 541 C8j TOP A 1 1.842 12.053 10.050 0.00 1.00 -ATOM 542 C8k TOP A 1 1.842 12.053 13.400 0.00 1.00 -ATOM 543 C8l TOP A 1 1.842 12.053 16.750 0.00 1.00 -ATOM 544 C8m TOP A 1 0.614 14.180 10.050 0.00 1.00 -ATOM 545 C8n TOP A 1 0.614 14.180 13.400 0.00 1.00 -ATOM 546 C8o TOP A 1 0.614 14.180 16.750 0.00 1.00 -ATOM 547 C8p TOP A 1 19.034 16.306 10.050 0.00 1.00 -ATOM 548 C8q TOP A 1 19.034 16.306 13.400 0.00 1.00 -ATOM 549 C8r TOP A 1 19.034 16.306 16.750 0.00 1.00 -ATOM 550 C8s TOP A 1 17.806 18.433 10.050 0.00 1.00 -ATOM 551 C8t TOP A 1 17.806 18.433 13.400 0.00 1.00 -ATOM 552 C8u TOP A 1 17.806 18.433 16.750 0.00 1.00 -ATOM 553 C8v TOP A 1 16.578 20.560 10.050 0.00 1.00 -ATOM 554 C8w TOP A 1 16.578 20.560 13.400 0.00 1.00 -ATOM 555 C8x TOP A 1 16.578 20.560 16.750 0.00 1.00 -ATOM 556 C8y TOP A 1 15.350 22.687 10.050 0.00 1.00 -ATOM 557 C8z TOP A 1 15.350 22.687 13.400 0.00 1.00 -ATOM 558 C90 TOP A 1 15.350 22.687 16.750 0.00 1.00 -ATOM 559 C91 TOP A 1 14.122 24.814 10.050 0.00 1.00 -ATOM 560 C92 TOP A 1 14.122 24.814 13.400 0.00 1.00 -ATOM 561 C93 TOP A 1 14.122 24.814 16.750 0.00 1.00 -ATOM 562 C94 TOP A 1 12.894 26.941 10.050 0.00 1.00 -ATOM 563 C95 TOP A 1 12.894 26.941 13.400 0.00 1.00 -ATOM 564 C96 TOP A 1 12.894 26.941 16.750 0.00 1.00 -ATOM 565 C97 TOP A 1 11.666 29.068 10.050 0.00 1.00 -ATOM 566 C98 TOP A 1 11.666 29.068 13.400 0.00 1.00 -ATOM 567 C99 TOP A 1 11.666 29.068 16.750 0.00 1.00 -ATOM 568 C9A TOP A 1 10.438 1.418 10.050 0.00 1.00 -ATOM 569 C9B TOP A 1 10.438 1.418 13.400 0.00 1.00 -ATOM 570 C9C TOP A 1 10.438 1.418 16.750 0.00 1.00 -ATOM 571 C9D TOP A 1 9.210 3.545 10.050 0.00 1.00 -ATOM 572 C9E TOP A 1 9.210 3.545 13.400 0.00 1.00 -ATOM 573 C9F TOP A 1 9.210 3.545 16.750 0.00 1.00 -ATOM 574 C9G TOP A 1 7.982 5.672 10.050 0.00 1.00 -ATOM 575 C9H TOP A 1 7.982 5.672 13.400 0.00 1.00 -ATOM 576 C9I TOP A 1 7.982 5.672 16.750 0.00 1.00 -ATOM 577 C9J TOP A 1 6.754 7.799 10.050 0.00 1.00 -ATOM 578 C9K TOP A 1 6.754 7.799 13.400 0.00 1.00 -ATOM 579 C9L TOP A 1 6.754 7.799 16.750 0.00 1.00 -ATOM 580 C9M TOP A 1 5.526 9.926 10.050 0.00 1.00 -ATOM 581 C9N TOP A 1 5.526 9.926 13.400 0.00 1.00 -ATOM 582 C9O TOP A 1 5.526 9.926 16.750 0.00 1.00 -ATOM 583 C9P TOP A 1 4.298 12.053 10.050 0.00 1.00 -ATOM 584 C9Q TOP A 1 4.298 12.053 13.400 0.00 1.00 -ATOM 585 C9R TOP A 1 4.298 12.053 16.750 0.00 1.00 -ATOM 586 C9S TOP A 1 3.070 14.180 10.050 0.00 1.00 -ATOM 587 C9T TOP A 1 3.070 14.180 13.400 0.00 1.00 -ATOM 588 C9U TOP A 1 3.070 14.180 16.750 0.00 1.00 -ATOM 589 C9V TOP A 1 21.490 16.306 10.050 0.00 1.00 -ATOM 590 C9W TOP A 1 21.490 16.306 13.400 0.00 1.00 -ATOM 591 C9X TOP A 1 21.490 16.306 16.750 0.00 1.00 -ATOM 592 C9Y TOP A 1 20.262 18.433 10.050 0.00 1.00 -ATOM 593 C9Z TOP A 1 20.262 18.433 13.400 0.00 1.00 -ATOM 594 C9a TOP A 1 20.262 18.433 16.750 0.00 1.00 -ATOM 595 C9b TOP A 1 19.034 20.560 10.050 0.00 1.00 -ATOM 596 C9c TOP A 1 19.034 20.560 13.400 0.00 1.00 -ATOM 597 C9d TOP A 1 19.034 20.560 16.750 0.00 1.00 -ATOM 598 C9e TOP A 1 17.806 22.687 10.050 0.00 1.00 -ATOM 599 C9f TOP A 1 17.806 22.687 13.400 0.00 1.00 -ATOM 600 C9g TOP A 1 17.806 22.687 16.750 0.00 1.00 -ATOM 601 C9h TOP A 1 16.578 24.814 10.050 0.00 1.00 -ATOM 602 C9i TOP A 1 16.578 24.814 13.400 0.00 1.00 -ATOM 603 C9j TOP A 1 16.578 24.814 16.750 0.00 1.00 -ATOM 604 C9k TOP A 1 15.350 26.941 10.050 0.00 1.00 -ATOM 605 C9l TOP A 1 15.350 26.941 13.400 0.00 1.00 -ATOM 606 C9m TOP A 1 15.350 26.941 16.750 0.00 1.00 -ATOM 607 C9n TOP A 1 14.122 29.068 10.050 0.00 1.00 -ATOM 608 C9o TOP A 1 14.122 29.068 13.400 0.00 1.00 -ATOM 609 C9p TOP A 1 14.122 29.068 16.750 0.00 1.00 -ATOM 610 C9q TOP A 1 12.894 1.418 10.050 0.00 1.00 -ATOM 611 C9r TOP A 1 12.894 1.418 13.400 0.00 1.00 -ATOM 612 C9s TOP A 1 12.894 1.418 16.750 0.00 1.00 -ATOM 613 C9t TOP A 1 11.666 3.545 10.050 0.00 1.00 -ATOM 614 C9u TOP A 1 11.666 3.545 13.400 0.00 1.00 -ATOM 615 C9v TOP A 1 11.666 3.545 16.750 0.00 1.00 -ATOM 616 C9w TOP A 1 10.438 5.672 10.050 0.00 1.00 -ATOM 617 C9x TOP A 1 10.438 5.672 13.400 0.00 1.00 -ATOM 618 C9y TOP A 1 10.438 5.672 16.750 0.00 1.00 -ATOM 619 C9z TOP A 1 9.210 7.799 10.050 0.00 1.00 -ATOM 620 CA0 TOP A 1 9.210 7.799 13.400 0.00 1.00 -ATOM 621 CA1 TOP A 1 9.210 7.799 16.750 0.00 1.00 -ATOM 622 CA2 TOP A 1 7.982 9.926 10.050 0.00 1.00 -ATOM 623 CA3 TOP A 1 7.982 9.926 13.400 0.00 1.00 -ATOM 624 CA4 TOP A 1 7.982 9.926 16.750 0.00 1.00 -ATOM 625 CA5 TOP A 1 6.754 12.053 10.050 0.00 1.00 -ATOM 626 CA6 TOP A 1 6.754 12.053 13.400 0.00 1.00 -ATOM 627 CA7 TOP A 1 6.754 12.053 16.750 0.00 1.00 -ATOM 628 CA8 TOP A 1 5.526 14.180 10.050 0.00 1.00 -ATOM 629 CA9 TOP A 1 5.526 14.180 13.400 0.00 1.00 -ATOM 630 CAA TOP A 1 5.526 14.180 16.750 0.00 1.00 -ATOM 631 CAB TOP A 1 23.946 16.306 10.050 0.00 1.00 -ATOM 632 CAC TOP A 1 23.946 16.306 13.400 0.00 1.00 -ATOM 633 CAD TOP A 1 23.946 16.306 16.750 0.00 1.00 -ATOM 634 CAE TOP A 1 22.718 18.433 10.050 0.00 1.00 -ATOM 635 CAF TOP A 1 22.718 18.433 13.400 0.00 1.00 -ATOM 636 CAG TOP A 1 22.718 18.433 16.750 0.00 1.00 -ATOM 637 CAH TOP A 1 21.490 20.560 10.050 0.00 1.00 -ATOM 638 CAI TOP A 1 21.490 20.560 13.400 0.00 1.00 -ATOM 639 CAJ TOP A 1 21.490 20.560 16.750 0.00 1.00 -ATOM 640 CAK TOP A 1 20.262 22.687 10.050 0.00 1.00 -ATOM 641 CAL TOP A 1 20.262 22.687 13.400 0.00 1.00 -ATOM 642 CAM TOP A 1 20.262 22.687 16.750 0.00 1.00 -ATOM 643 CAN TOP A 1 19.034 24.814 10.050 0.00 1.00 -ATOM 644 CAO TOP A 1 19.034 24.814 13.400 0.00 1.00 -ATOM 645 CAP TOP A 1 19.034 24.814 16.750 0.00 1.00 -ATOM 646 CAQ TOP A 1 17.806 26.941 10.050 0.00 1.00 -ATOM 647 CAR TOP A 1 17.806 26.941 13.400 0.00 1.00 -ATOM 648 CAS TOP A 1 17.806 26.941 16.750 0.00 1.00 -ATOM 649 CAT TOP A 1 16.578 29.068 10.050 0.00 1.00 -ATOM 650 CAU TOP A 1 16.578 29.068 13.400 0.00 1.00 -ATOM 651 CAV TOP A 1 16.578 29.068 16.750 0.00 1.00 -ATOM 652 CAW TOP A 1 15.350 1.418 10.050 0.00 1.00 -ATOM 653 CAX TOP A 1 15.350 1.418 13.400 0.00 1.00 -ATOM 654 CAY TOP A 1 15.350 1.418 16.750 0.00 1.00 -ATOM 655 CAZ TOP A 1 14.122 3.545 10.050 0.00 1.00 -ATOM 656 CAa TOP A 1 14.122 3.545 13.400 0.00 1.00 -ATOM 657 CAb TOP A 1 14.122 3.545 16.750 0.00 1.00 -ATOM 658 CAc TOP A 1 12.894 5.672 10.050 0.00 1.00 -ATOM 659 CAd TOP A 1 12.894 5.672 13.400 0.00 1.00 -ATOM 660 CAe TOP A 1 12.894 5.672 16.750 0.00 1.00 -ATOM 661 CAf TOP A 1 11.666 7.799 10.050 0.00 1.00 -ATOM 662 CAg TOP A 1 11.666 7.799 13.400 0.00 1.00 -ATOM 663 CAh TOP A 1 11.666 7.799 16.750 0.00 1.00 -ATOM 664 CAi TOP A 1 10.438 9.926 10.050 0.00 1.00 -ATOM 665 CAj TOP A 1 10.438 9.926 13.400 0.00 1.00 -ATOM 666 CAk TOP A 1 10.438 9.926 16.750 0.00 1.00 -ATOM 667 CAl TOP A 1 9.210 12.053 10.050 0.00 1.00 -ATOM 668 CAm TOP A 1 9.210 12.053 13.400 0.00 1.00 -ATOM 669 CAn TOP A 1 9.210 12.053 16.750 0.00 1.00 -ATOM 670 CAo TOP A 1 7.982 14.180 10.050 0.00 1.00 -ATOM 671 CAp TOP A 1 7.982 14.180 13.400 0.00 1.00 -ATOM 672 CAq TOP A 1 7.982 14.180 16.750 0.00 1.00 -ATOM 673 CAr TOP A 1 26.402 16.306 10.050 0.00 1.00 -ATOM 674 CAs TOP A 1 26.402 16.306 13.400 0.00 1.00 -ATOM 675 CAt TOP A 1 26.402 16.306 16.750 0.00 1.00 -ATOM 676 CAu TOP A 1 25.174 18.433 10.050 0.00 1.00 -ATOM 677 CAv TOP A 1 25.174 18.433 13.400 0.00 1.00 -ATOM 678 CAw TOP A 1 25.174 18.433 16.750 0.00 1.00 -ATOM 679 CAx TOP A 1 23.946 20.560 10.050 0.00 1.00 -ATOM 680 CAy TOP A 1 23.946 20.560 13.400 0.00 1.00 -ATOM 681 CAz TOP A 1 23.946 20.560 16.750 0.00 1.00 -ATOM 682 CB0 TOP A 1 22.718 22.687 10.050 0.00 1.00 -ATOM 683 CB1 TOP A 1 22.718 22.687 13.400 0.00 1.00 -ATOM 684 CB2 TOP A 1 22.718 22.687 16.750 0.00 1.00 -ATOM 685 CB3 TOP A 1 21.490 24.814 10.050 0.00 1.00 -ATOM 686 CB4 TOP A 1 21.490 24.814 13.400 0.00 1.00 -ATOM 687 CB5 TOP A 1 21.490 24.814 16.750 0.00 1.00 -ATOM 688 CB6 TOP A 1 20.262 26.941 10.050 0.00 1.00 -ATOM 689 CB7 TOP A 1 20.262 26.941 13.400 0.00 1.00 -ATOM 690 CB8 TOP A 1 20.262 26.941 16.750 0.00 1.00 -ATOM 691 CB9 TOP A 1 19.034 29.068 10.050 0.00 1.00 -ATOM 692 CBA TOP A 1 19.034 29.068 13.400 0.00 1.00 -ATOM 693 CBB TOP A 1 19.034 29.068 16.750 0.00 1.00 -ATOM 694 CBC TOP A 1 17.806 1.418 10.050 0.00 1.00 -ATOM 695 CBD TOP A 1 17.806 1.418 13.400 0.00 1.00 -ATOM 696 CBE TOP A 1 17.806 1.418 16.750 0.00 1.00 -ATOM 697 CBF TOP A 1 16.578 3.545 10.050 0.00 1.00 -ATOM 698 CBG TOP A 1 16.578 3.545 13.400 0.00 1.00 -ATOM 699 CBH TOP A 1 16.578 3.545 16.750 0.00 1.00 -ATOM 700 CBI TOP A 1 15.350 5.672 10.050 0.00 1.00 -ATOM 701 CBJ TOP A 1 15.350 5.672 13.400 0.00 1.00 -ATOM 702 CBK TOP A 1 15.350 5.672 16.750 0.00 1.00 -ATOM 703 CBL TOP A 1 14.122 7.799 10.050 0.00 1.00 -ATOM 704 CBM TOP A 1 14.122 7.799 13.400 0.00 1.00 -ATOM 705 CBN TOP A 1 14.122 7.799 16.750 0.00 1.00 -ATOM 706 CBO TOP A 1 12.894 9.926 10.050 0.00 1.00 -ATOM 707 CBP TOP A 1 12.894 9.926 13.400 0.00 1.00 -ATOM 708 CBQ TOP A 1 12.894 9.926 16.750 0.00 1.00 -ATOM 709 CBR TOP A 1 11.666 12.053 10.050 0.00 1.00 -ATOM 710 CBS TOP A 1 11.666 12.053 13.400 0.00 1.00 -ATOM 711 CBT TOP A 1 11.666 12.053 16.750 0.00 1.00 -ATOM 712 CBU TOP A 1 10.438 14.180 10.050 0.00 1.00 -ATOM 713 CBV TOP A 1 10.438 14.180 13.400 0.00 1.00 -ATOM 714 CBW TOP A 1 10.438 14.180 16.750 0.00 1.00 -ATOM 715 CBX TOP A 1 28.858 16.306 10.050 0.00 1.00 -ATOM 716 CBY TOP A 1 28.858 16.306 13.400 0.00 1.00 -ATOM 717 CBZ TOP A 1 28.858 16.306 16.750 0.00 1.00 -ATOM 718 CBa TOP A 1 27.630 18.433 10.050 0.00 1.00 -ATOM 719 CBb TOP A 1 27.630 18.433 13.400 0.00 1.00 -ATOM 720 CBc TOP A 1 27.630 18.433 16.750 0.00 1.00 -ATOM 721 CBd TOP A 1 26.402 20.560 10.050 0.00 1.00 -ATOM 722 CBe TOP A 1 26.402 20.560 13.400 0.00 1.00 -ATOM 723 CBf TOP A 1 26.402 20.560 16.750 0.00 1.00 -ATOM 724 CBg TOP A 1 25.174 22.687 10.050 0.00 1.00 -ATOM 725 CBh TOP A 1 25.174 22.687 13.400 0.00 1.00 -ATOM 726 CBi TOP A 1 25.174 22.687 16.750 0.00 1.00 -ATOM 727 CBj TOP A 1 23.946 24.814 10.050 0.00 1.00 -ATOM 728 CBk TOP A 1 23.946 24.814 13.400 0.00 1.00 -ATOM 729 CBl TOP A 1 23.946 24.814 16.750 0.00 1.00 -ATOM 730 CBm TOP A 1 22.718 26.941 10.050 0.00 1.00 -ATOM 731 CBn TOP A 1 22.718 26.941 13.400 0.00 1.00 -ATOM 732 CBo TOP A 1 22.718 26.941 16.750 0.00 1.00 -ATOM 733 CBp TOP A 1 21.490 29.068 10.050 0.00 1.00 -ATOM 734 CBq TOP A 1 21.490 29.068 13.400 0.00 1.00 -ATOM 735 CBr TOP A 1 21.490 29.068 16.750 0.00 1.00 -ATOM 736 CBs TOP A 1 20.262 1.418 10.050 0.00 1.00 -ATOM 737 CBt TOP A 1 20.262 1.418 13.400 0.00 1.00 -ATOM 738 CBu TOP A 1 20.262 1.418 16.750 0.00 1.00 -ATOM 739 CBv TOP A 1 19.034 3.545 10.050 0.00 1.00 -ATOM 740 CBw TOP A 1 19.034 3.545 13.400 0.00 1.00 -ATOM 741 CBx TOP A 1 19.034 3.545 16.750 0.00 1.00 -ATOM 742 CBy TOP A 1 17.806 5.672 10.050 0.00 1.00 -ATOM 743 CBz TOP A 1 17.806 5.672 13.400 0.00 1.00 -ATOM 744 CC0 TOP A 1 17.806 5.672 16.750 0.00 1.00 -ATOM 745 CC1 TOP A 1 16.578 7.799 10.050 0.00 1.00 -ATOM 746 CC2 TOP A 1 16.578 7.799 13.400 0.00 1.00 -ATOM 747 CC3 TOP A 1 16.578 7.799 16.750 0.00 1.00 -ATOM 748 CC4 TOP A 1 15.350 9.926 10.050 0.00 1.00 -ATOM 749 CC5 TOP A 1 15.350 9.926 13.400 0.00 1.00 -ATOM 750 CC6 TOP A 1 15.350 9.926 16.750 0.00 1.00 -ATOM 751 CC7 TOP A 1 14.122 12.053 10.050 0.00 1.00 -ATOM 752 CC8 TOP A 1 14.122 12.053 13.400 0.00 1.00 -ATOM 753 CC9 TOP A 1 14.122 12.053 16.750 0.00 1.00 -ATOM 754 CCA TOP A 1 12.894 14.180 10.050 0.00 1.00 -ATOM 755 CCB TOP A 1 12.894 14.180 13.400 0.00 1.00 -ATOM 756 CCC TOP A 1 12.894 14.180 16.750 0.00 1.00 -ATOM 757 CCD TOP A 1 1.842 16.306 10.050 0.00 1.00 -ATOM 758 CCE TOP A 1 1.842 16.306 13.400 0.00 1.00 -ATOM 759 CCF TOP A 1 1.842 16.306 16.750 0.00 1.00 -ATOM 760 CCG TOP A 1 0.614 18.433 10.050 0.00 1.00 -ATOM 761 CCH TOP A 1 0.614 18.433 13.400 0.00 1.00 -ATOM 762 CCI TOP A 1 0.614 18.433 16.750 0.00 1.00 -ATOM 763 CCJ TOP A 1 28.858 20.560 10.050 0.00 1.00 -ATOM 764 CCK TOP A 1 28.858 20.560 13.400 0.00 1.00 -ATOM 765 CCL TOP A 1 28.858 20.560 16.750 0.00 1.00 -ATOM 766 CCM TOP A 1 27.630 22.687 10.050 0.00 1.00 -ATOM 767 CCN TOP A 1 27.630 22.687 13.400 0.00 1.00 -ATOM 768 CCO TOP A 1 27.630 22.687 16.750 0.00 1.00 -ATOM 769 CCP TOP A 1 26.402 24.814 10.050 0.00 1.00 -ATOM 770 CCQ TOP A 1 26.402 24.814 13.400 0.00 1.00 -ATOM 771 CCR TOP A 1 26.402 24.814 16.750 0.00 1.00 -ATOM 772 CCS TOP A 1 25.174 26.941 10.050 0.00 1.00 -ATOM 773 CCT TOP A 1 25.174 26.941 13.400 0.00 1.00 -ATOM 774 CCU TOP A 1 25.174 26.941 16.750 0.00 1.00 -ATOM 775 CCV TOP A 1 23.946 29.068 10.050 0.00 1.00 -ATOM 776 CCW TOP A 1 23.946 29.068 13.400 0.00 1.00 -ATOM 777 CCX TOP A 1 23.946 29.068 16.750 0.00 1.00 -ATOM 778 CCY TOP A 1 22.718 1.418 10.050 0.00 1.00 -ATOM 779 CCZ TOP A 1 22.718 1.418 13.400 0.00 1.00 -ATOM 780 CCa TOP A 1 22.718 1.418 16.750 0.00 1.00 -ATOM 781 CCb TOP A 1 21.490 3.545 10.050 0.00 1.00 -ATOM 782 CCc TOP A 1 21.490 3.545 13.400 0.00 1.00 -ATOM 783 CCd TOP A 1 21.490 3.545 16.750 0.00 1.00 -ATOM 784 CCe TOP A 1 20.262 5.672 10.050 0.00 1.00 -ATOM 785 CCf TOP A 1 20.262 5.672 13.400 0.00 1.00 -ATOM 786 CCg TOP A 1 20.262 5.672 16.750 0.00 1.00 -ATOM 787 CCh TOP A 1 19.034 7.799 10.050 0.00 1.00 -ATOM 788 CCi TOP A 1 19.034 7.799 13.400 0.00 1.00 -ATOM 789 CCj TOP A 1 19.034 7.799 16.750 0.00 1.00 -ATOM 790 CCk TOP A 1 17.806 9.926 10.050 0.00 1.00 -ATOM 791 CCl TOP A 1 17.806 9.926 13.400 0.00 1.00 -ATOM 792 CCm TOP A 1 17.806 9.926 16.750 0.00 1.00 -ATOM 793 CCn TOP A 1 16.578 12.053 10.050 0.00 1.00 -ATOM 794 CCo TOP A 1 16.578 12.053 13.400 0.00 1.00 -ATOM 795 CCp TOP A 1 16.578 12.053 16.750 0.00 1.00 -ATOM 796 CCq TOP A 1 15.350 14.180 10.050 0.00 1.00 -ATOM 797 CCr TOP A 1 15.350 14.180 13.400 0.00 1.00 -ATOM 798 CCs TOP A 1 15.350 14.180 16.750 0.00 1.00 -ATOM 799 CCt TOP A 1 4.298 16.306 10.050 0.00 1.00 -ATOM 800 CCu TOP A 1 4.298 16.306 13.400 0.00 1.00 -ATOM 801 CCv TOP A 1 4.298 16.306 16.750 0.00 1.00 -ATOM 802 CCw TOP A 1 3.070 18.433 10.050 0.00 1.00 -ATOM 803 CCx TOP A 1 3.070 18.433 13.400 0.00 1.00 -ATOM 804 CCy TOP A 1 3.070 18.433 16.750 0.00 1.00 -ATOM 805 CCz TOP A 1 1.842 20.560 10.050 0.00 1.00 -ATOM 806 CD0 TOP A 1 1.842 20.560 13.400 0.00 1.00 -ATOM 807 CD1 TOP A 1 1.842 20.560 16.750 0.00 1.00 -ATOM 808 CD2 TOP A 1 0.614 22.687 10.050 0.00 1.00 -ATOM 809 CD3 TOP A 1 0.614 22.687 13.400 0.00 1.00 -ATOM 810 CD4 TOP A 1 0.614 22.687 16.750 0.00 1.00 -ATOM 811 CD5 TOP A 1 28.858 24.814 10.050 0.00 1.00 -ATOM 812 CD6 TOP A 1 28.858 24.814 13.400 0.00 1.00 -ATOM 813 CD7 TOP A 1 28.858 24.814 16.750 0.00 1.00 -ATOM 814 CD8 TOP A 1 27.630 26.941 10.050 0.00 1.00 -ATOM 815 CD9 TOP A 1 27.630 26.941 13.400 0.00 1.00 -ATOM 816 CDA TOP A 1 27.630 26.941 16.750 0.00 1.00 -ATOM 817 CDB TOP A 1 26.402 29.068 10.050 0.00 1.00 -ATOM 818 CDC TOP A 1 26.402 29.068 13.400 0.00 1.00 -ATOM 819 CDD TOP A 1 26.402 29.068 16.750 0.00 1.00 -ATOM 820 CDE TOP A 1 25.174 1.418 10.050 0.00 1.00 -ATOM 821 CDF TOP A 1 25.174 1.418 13.400 0.00 1.00 -ATOM 822 CDG TOP A 1 25.174 1.418 16.750 0.00 1.00 -ATOM 823 CDH TOP A 1 23.946 3.545 10.050 0.00 1.00 -ATOM 824 CDI TOP A 1 23.946 3.545 13.400 0.00 1.00 -ATOM 825 CDJ TOP A 1 23.946 3.545 16.750 0.00 1.00 -ATOM 826 CDK TOP A 1 22.718 5.672 10.050 0.00 1.00 -ATOM 827 CDL TOP A 1 22.718 5.672 13.400 0.00 1.00 -ATOM 828 CDM TOP A 1 22.718 5.672 16.750 0.00 1.00 -ATOM 829 CDN TOP A 1 21.490 7.799 10.050 0.00 1.00 -ATOM 830 CDO TOP A 1 21.490 7.799 13.400 0.00 1.00 -ATOM 831 CDP TOP A 1 21.490 7.799 16.750 0.00 1.00 -ATOM 832 CDQ TOP A 1 20.262 9.926 10.050 0.00 1.00 -ATOM 833 CDR TOP A 1 20.262 9.926 13.400 0.00 1.00 -ATOM 834 CDS TOP A 1 20.262 9.926 16.750 0.00 1.00 -ATOM 835 CDT TOP A 1 19.034 12.053 10.050 0.00 1.00 -ATOM 836 CDU TOP A 1 19.034 12.053 13.400 0.00 1.00 -ATOM 837 CDV TOP A 1 19.034 12.053 16.750 0.00 1.00 -ATOM 838 CDW TOP A 1 17.806 14.180 10.050 0.00 1.00 -ATOM 839 CDX TOP A 1 17.806 14.180 13.400 0.00 1.00 -ATOM 840 CDY TOP A 1 17.806 14.180 16.750 0.00 1.00 -ATOM 841 CDZ TOP A 1 6.754 16.306 10.050 0.00 1.00 -ATOM 842 CDa TOP A 1 6.754 16.306 13.400 0.00 1.00 -ATOM 843 CDb TOP A 1 6.754 16.306 16.750 0.00 1.00 -ATOM 844 CDc TOP A 1 5.526 18.433 10.050 0.00 1.00 -ATOM 845 CDd TOP A 1 5.526 18.433 13.400 0.00 1.00 -ATOM 846 CDe TOP A 1 5.526 18.433 16.750 0.00 1.00 -ATOM 847 CDf TOP A 1 4.298 20.560 10.050 0.00 1.00 -ATOM 848 CDg TOP A 1 4.298 20.560 13.400 0.00 1.00 -ATOM 849 CDh TOP A 1 4.298 20.560 16.750 0.00 1.00 -ATOM 850 CDi TOP A 1 3.070 22.687 10.050 0.00 1.00 -ATOM 851 CDj TOP A 1 3.070 22.687 13.400 0.00 1.00 -ATOM 852 CDk TOP A 1 3.070 22.687 16.750 0.00 1.00 -ATOM 853 CDl TOP A 1 1.842 24.814 10.050 0.00 1.00 -ATOM 854 CDm TOP A 1 1.842 24.814 13.400 0.00 1.00 -ATOM 855 CDn TOP A 1 1.842 24.814 16.750 0.00 1.00 -ATOM 856 CDo TOP A 1 0.614 26.941 10.050 0.00 1.00 -ATOM 857 CDp TOP A 1 0.614 26.941 13.400 0.00 1.00 -ATOM 858 CDq TOP A 1 0.614 26.941 16.750 0.00 1.00 -ATOM 859 CDr TOP A 1 28.858 29.068 10.050 0.00 1.00 -ATOM 860 CDs TOP A 1 28.858 29.068 13.400 0.00 1.00 -ATOM 861 CDt TOP A 1 28.858 29.068 16.750 0.00 1.00 -ATOM 862 CDu TOP A 1 27.630 1.418 10.050 0.00 1.00 -ATOM 863 CDv TOP A 1 27.630 1.418 13.400 0.00 1.00 -ATOM 864 CDw TOP A 1 27.630 1.418 16.750 0.00 1.00 -ATOM 865 CDx TOP A 1 26.402 3.545 10.050 0.00 1.00 -ATOM 866 CDy TOP A 1 26.402 3.545 13.400 0.00 1.00 -ATOM 867 CDz TOP A 1 26.402 3.545 16.750 0.00 1.00 -ATOM 868 CE0 TOP A 1 25.174 5.672 10.050 0.00 1.00 -ATOM 869 CE1 TOP A 1 25.174 5.672 13.400 0.00 1.00 -ATOM 870 CE2 TOP A 1 25.174 5.672 16.750 0.00 1.00 -ATOM 871 CE3 TOP A 1 23.946 7.799 10.050 0.00 1.00 -ATOM 872 CE4 TOP A 1 23.946 7.799 13.400 0.00 1.00 -ATOM 873 CE5 TOP A 1 23.946 7.799 16.750 0.00 1.00 -ATOM 874 CE6 TOP A 1 22.718 9.926 10.050 0.00 1.00 -ATOM 875 CE7 TOP A 1 22.718 9.926 13.400 0.00 1.00 -ATOM 876 CE8 TOP A 1 22.718 9.926 16.750 0.00 1.00 -ATOM 877 CE9 TOP A 1 21.490 12.053 10.050 0.00 1.00 -ATOM 878 CEA TOP A 1 21.490 12.053 13.400 0.00 1.00 -ATOM 879 CEB TOP A 1 21.490 12.053 16.750 0.00 1.00 -ATOM 880 CEC TOP A 1 20.262 14.180 10.050 0.00 1.00 -ATOM 881 CED TOP A 1 20.262 14.180 13.400 0.00 1.00 -ATOM 882 CEE TOP A 1 20.262 14.180 16.750 0.00 1.00 -ATOM 883 CEF TOP A 1 9.210 16.306 10.050 0.00 1.00 -ATOM 884 CEG TOP A 1 9.210 16.306 13.400 0.00 1.00 -ATOM 885 CEH TOP A 1 9.210 16.306 16.750 0.00 1.00 -ATOM 886 CEI TOP A 1 7.982 18.433 10.050 0.00 1.00 -ATOM 887 CEJ TOP A 1 7.982 18.433 13.400 0.00 1.00 -ATOM 888 CEK TOP A 1 7.982 18.433 16.750 0.00 1.00 -ATOM 889 CEL TOP A 1 6.754 20.560 10.050 0.00 1.00 -ATOM 890 CEM TOP A 1 6.754 20.560 13.400 0.00 1.00 -ATOM 891 CEN TOP A 1 6.754 20.560 16.750 0.00 1.00 -ATOM 892 CEO TOP A 1 5.526 22.687 10.050 0.00 1.00 -ATOM 893 CEP TOP A 1 5.526 22.687 13.400 0.00 1.00 -ATOM 894 CEQ TOP A 1 5.526 22.687 16.750 0.00 1.00 -ATOM 895 CER TOP A 1 4.298 24.814 10.050 0.00 1.00 -ATOM 896 CES TOP A 1 4.298 24.814 13.400 0.00 1.00 -ATOM 897 CET TOP A 1 4.298 24.814 16.750 0.00 1.00 -ATOM 898 CEU TOP A 1 3.070 26.941 10.050 0.00 1.00 -ATOM 899 CEV TOP A 1 3.070 26.941 13.400 0.00 1.00 -ATOM 900 CEW TOP A 1 3.070 26.941 16.750 0.00 1.00 -ATOM 901 CEX TOP A 1 1.842 29.068 10.050 0.00 1.00 -ATOM 902 CEY TOP A 1 1.842 29.068 13.400 0.00 1.00 -ATOM 903 CEZ TOP A 1 1.842 29.068 16.750 0.00 1.00 -ATOM 904 CEa TOP A 1 0.614 1.418 10.050 0.00 1.00 -ATOM 905 CEb TOP A 1 0.614 1.418 13.400 0.00 1.00 -ATOM 906 CEc TOP A 1 0.614 1.418 16.750 0.00 1.00 -ATOM 907 CEd TOP A 1 28.858 3.545 10.050 0.00 1.00 -ATOM 908 CEe TOP A 1 28.858 3.545 13.400 0.00 1.00 -ATOM 909 CEf TOP A 1 28.858 3.545 16.750 0.00 1.00 -ATOM 910 CEg TOP A 1 27.630 5.672 10.050 0.00 1.00 -ATOM 911 CEh TOP A 1 27.630 5.672 13.400 0.00 1.00 -ATOM 912 CEi TOP A 1 27.630 5.672 16.750 0.00 1.00 -ATOM 913 CEj TOP A 1 26.402 7.799 10.050 0.00 1.00 -ATOM 914 CEk TOP A 1 26.402 7.799 13.400 0.00 1.00 -ATOM 915 CEl TOP A 1 26.402 7.799 16.750 0.00 1.00 -ATOM 916 CEm TOP A 1 25.174 9.926 10.050 0.00 1.00 -ATOM 917 CEn TOP A 1 25.174 9.926 13.400 0.00 1.00 -ATOM 918 CEo TOP A 1 25.174 9.926 16.750 0.00 1.00 -ATOM 919 CEp TOP A 1 23.946 12.053 10.050 0.00 1.00 -ATOM 920 CEq TOP A 1 23.946 12.053 13.400 0.00 1.00 -ATOM 921 CEr TOP A 1 23.946 12.053 16.750 0.00 1.00 -ATOM 922 CEs TOP A 1 22.718 14.180 10.050 0.00 1.00 -ATOM 923 CEt TOP A 1 22.718 14.180 13.400 0.00 1.00 -ATOM 924 CEu TOP A 1 22.718 14.180 16.750 0.00 1.00 -ATOM 925 CEv TOP A 1 11.666 16.306 10.050 0.00 1.00 -ATOM 926 CEw TOP A 1 11.666 16.306 13.400 0.00 1.00 -ATOM 927 CEx TOP A 1 11.666 16.306 16.750 0.00 1.00 -ATOM 928 CEy TOP A 1 10.438 18.433 10.050 0.00 1.00 -ATOM 929 CEz TOP A 1 10.438 18.433 13.400 0.00 1.00 -ATOM 930 CF0 TOP A 1 10.438 18.433 16.750 0.00 1.00 -ATOM 931 CF1 TOP A 1 9.210 20.560 10.050 0.00 1.00 -ATOM 932 CF2 TOP A 1 9.210 20.560 13.400 0.00 1.00 -ATOM 933 CF3 TOP A 1 9.210 20.560 16.750 0.00 1.00 -ATOM 934 CF4 TOP A 1 7.982 22.687 10.050 0.00 1.00 -ATOM 935 CF5 TOP A 1 7.982 22.687 13.400 0.00 1.00 -ATOM 936 CF6 TOP A 1 7.982 22.687 16.750 0.00 1.00 -ATOM 937 CF7 TOP A 1 6.754 24.814 10.050 0.00 1.00 -ATOM 938 CF8 TOP A 1 6.754 24.814 13.400 0.00 1.00 -ATOM 939 CF9 TOP A 1 6.754 24.814 16.750 0.00 1.00 -ATOM 940 CFA TOP A 1 5.526 26.941 10.050 0.00 1.00 -ATOM 941 CFB TOP A 1 5.526 26.941 13.400 0.00 1.00 -ATOM 942 CFC TOP A 1 5.526 26.941 16.750 0.00 1.00 -ATOM 943 CFD TOP A 1 4.298 29.068 10.050 0.00 1.00 -ATOM 944 CFE TOP A 1 4.298 29.068 13.400 0.00 1.00 -ATOM 945 CFF TOP A 1 4.298 29.068 16.750 0.00 1.00 -ATOM 946 CFG TOP A 1 3.070 1.418 10.050 0.00 1.00 -ATOM 947 CFH TOP A 1 3.070 1.418 13.400 0.00 1.00 -ATOM 948 CFI TOP A 1 3.070 1.418 16.750 0.00 1.00 -ATOM 949 CFJ TOP A 1 1.842 3.545 10.050 0.00 1.00 -ATOM 950 CFK TOP A 1 1.842 3.545 13.400 0.00 1.00 -ATOM 951 CFL TOP A 1 1.842 3.545 16.750 0.00 1.00 -ATOM 952 CFM TOP A 1 0.614 5.672 10.050 0.00 1.00 -ATOM 953 CFN TOP A 1 0.614 5.672 13.400 0.00 1.00 -ATOM 954 CFO TOP A 1 0.614 5.672 16.750 0.00 1.00 -ATOM 955 CFP TOP A 1 28.858 7.799 10.050 0.00 1.00 -ATOM 956 CFQ TOP A 1 28.858 7.799 13.400 0.00 1.00 -ATOM 957 CFR TOP A 1 28.858 7.799 16.750 0.00 1.00 -ATOM 958 CFS TOP A 1 27.630 9.926 10.050 0.00 1.00 -ATOM 959 CFT TOP A 1 27.630 9.926 13.400 0.00 1.00 -ATOM 960 CFU TOP A 1 27.630 9.926 16.750 0.00 1.00 -ATOM 961 CFV TOP A 1 26.402 12.053 10.050 0.00 1.00 -ATOM 962 CFW TOP A 1 26.402 12.053 13.400 0.00 1.00 -ATOM 963 CFX TOP A 1 26.402 12.053 16.750 0.00 1.00 -ATOM 964 CFY TOP A 1 25.174 14.180 10.050 0.00 1.00 -ATOM 965 CFZ TOP A 1 25.174 14.180 13.400 0.00 1.00 -ATOM 966 CFa TOP A 1 25.174 14.180 16.750 0.00 1.00 -ATOM 967 CFb TOP A 1 14.122 16.306 10.050 0.00 1.00 -ATOM 968 CFc TOP A 1 14.122 16.306 13.400 0.00 1.00 -ATOM 969 CFd TOP A 1 14.122 16.306 16.750 0.00 1.00 -ATOM 970 CFe TOP A 1 12.894 18.433 10.050 0.00 1.00 -ATOM 971 CFf TOP A 1 12.894 18.433 13.400 0.00 1.00 -ATOM 972 CFg TOP A 1 12.894 18.433 16.750 0.00 1.00 -ATOM 973 CFh TOP A 1 11.666 20.560 10.050 0.00 1.00 -ATOM 974 CFi TOP A 1 11.666 20.560 13.400 0.00 1.00 -ATOM 975 CFj TOP A 1 11.666 20.560 16.750 0.00 1.00 -ATOM 976 CFk TOP A 1 10.438 22.687 10.050 0.00 1.00 -ATOM 977 CFl TOP A 1 10.438 22.687 13.400 0.00 1.00 -ATOM 978 CFm TOP A 1 10.438 22.687 16.750 0.00 1.00 -ATOM 979 CFn TOP A 1 9.210 24.814 10.050 0.00 1.00 -ATOM 980 CFo TOP A 1 9.210 24.814 13.400 0.00 1.00 -ATOM 981 CFp TOP A 1 9.210 24.814 16.750 0.00 1.00 -ATOM 982 CFq TOP A 1 7.982 26.941 10.050 0.00 1.00 -ATOM 983 CFr TOP A 1 7.982 26.941 13.400 0.00 1.00 -ATOM 984 CFs TOP A 1 7.982 26.941 16.750 0.00 1.00 -ATOM 985 CFt TOP A 1 6.754 29.068 10.050 0.00 1.00 -ATOM 986 CFu TOP A 1 6.754 29.068 13.400 0.00 1.00 -ATOM 987 CFv TOP A 1 6.754 29.068 16.750 0.00 1.00 -ATOM 988 CFw TOP A 1 5.526 1.418 10.050 0.00 1.00 -ATOM 989 CFx TOP A 1 5.526 1.418 13.400 0.00 1.00 -ATOM 990 CFy TOP A 1 5.526 1.418 16.750 0.00 1.00 -ATOM 991 CFz TOP A 1 4.298 3.545 10.050 0.00 1.00 -ATOM 992 CG0 TOP A 1 4.298 3.545 13.400 0.00 1.00 -ATOM 993 CG1 TOP A 1 4.298 3.545 16.750 0.00 1.00 -ATOM 994 CG2 TOP A 1 3.070 5.672 10.050 0.00 1.00 -ATOM 995 CG3 TOP A 1 3.070 5.672 13.400 0.00 1.00 -ATOM 996 CG4 TOP A 1 3.070 5.672 16.750 0.00 1.00 -ATOM 997 CG5 TOP A 1 1.842 7.799 10.050 0.00 1.00 -ATOM 998 CG6 TOP A 1 1.842 7.799 13.400 0.00 1.00 -ATOM 999 CG7 TOP A 1 1.842 7.799 16.750 0.00 1.00 -ATOM 1000 CG8 TOP A 1 0.614 9.926 10.050 0.00 1.00 -ATOM 1001 CG9 TOP A 1 0.614 9.926 13.400 0.00 1.00 -ATOM 1002 CGA TOP A 1 0.614 9.926 16.750 0.00 1.00 -ATOM 1003 CGB TOP A 1 28.858 12.053 10.050 0.00 1.00 -ATOM 1004 CGC TOP A 1 28.858 12.053 13.400 0.00 1.00 -ATOM 1005 CGD TOP A 1 28.858 12.053 16.750 0.00 1.00 -ATOM 1006 CGE TOP A 1 27.630 14.180 10.050 0.00 1.00 -ATOM 1007 CGF TOP A 1 27.630 14.180 13.400 0.00 1.00 -ATOM 1008 CGG TOP A 1 27.630 14.180 16.750 0.00 1.00 -ATOM 1009 C1 BOT B 1 15.350 15.597 0.000 0.00 1.00 -ATOM 1010 C2 BOT B 1 15.350 15.597 3.350 0.00 1.00 -ATOM 1011 C3 BOT B 1 15.350 15.597 6.700 0.00 1.00 -ATOM 1012 C4 BOT B 1 14.122 17.724 0.000 0.00 1.00 -ATOM 1013 C5 BOT B 1 14.122 17.724 3.350 0.00 1.00 -ATOM 1014 C6 BOT B 1 14.122 17.724 6.700 0.00 1.00 -ATOM 1015 C7 BOT B 1 12.894 19.851 0.000 0.00 1.00 -ATOM 1016 C8 BOT B 1 12.894 19.851 3.350 0.00 1.00 -ATOM 1017 C9 BOT B 1 12.894 19.851 6.700 0.00 1.00 -ATOM 1018 CA BOT B 1 11.666 21.978 0.000 0.00 1.00 -ATOM 1019 CB BOT B 1 11.666 21.978 3.350 0.00 1.00 -ATOM 1020 CC BOT B 1 11.666 21.978 6.700 0.00 1.00 -ATOM 1021 CD BOT B 1 10.438 24.105 0.000 0.00 1.00 -ATOM 1022 CE BOT B 1 10.438 24.105 3.350 0.00 1.00 -ATOM 1023 CF BOT B 1 10.438 24.105 6.700 0.00 1.00 -ATOM 1024 CG BOT B 1 9.210 26.232 0.000 0.00 1.00 -ATOM 1025 CH BOT B 1 9.210 26.232 3.350 0.00 1.00 -ATOM 1026 CI BOT B 1 9.210 26.232 6.700 0.00 1.00 -ATOM 1027 CJ BOT B 1 7.982 28.359 0.000 0.00 1.00 -ATOM 1028 CK BOT B 1 7.982 28.359 3.350 0.00 1.00 -ATOM 1029 CL BOT B 1 7.982 28.359 6.700 0.00 1.00 -ATOM 1030 CM BOT B 1 6.754 0.709 0.000 0.00 1.00 -ATOM 1031 CN BOT B 1 6.754 0.709 3.350 0.00 1.00 -ATOM 1032 CO BOT B 1 6.754 0.709 6.700 0.00 1.00 -ATOM 1033 CP BOT B 1 5.526 2.836 0.000 0.00 1.00 -ATOM 1034 CQ BOT B 1 5.526 2.836 3.350 0.00 1.00 -ATOM 1035 CR BOT B 1 5.526 2.836 6.700 0.00 1.00 -ATOM 1036 CS BOT B 1 4.298 4.963 0.000 0.00 1.00 -ATOM 1037 CT BOT B 1 4.298 4.963 3.350 0.00 1.00 -ATOM 1038 CU BOT B 1 4.298 4.963 6.700 0.00 1.00 -ATOM 1039 CV BOT B 1 3.070 7.090 0.000 0.00 1.00 -ATOM 1040 CW BOT B 1 3.070 7.090 3.350 0.00 1.00 -ATOM 1041 CX BOT B 1 3.070 7.090 6.700 0.00 1.00 -ATOM 1042 CY BOT B 1 1.842 9.217 0.000 0.00 1.00 -ATOM 1043 CZ BOT B 1 1.842 9.217 3.350 0.00 1.00 -ATOM 1044 Ca BOT B 1 1.842 9.217 6.700 0.00 1.00 -ATOM 1045 Cb BOT B 1 0.614 11.344 0.000 0.00 1.00 -ATOM 1046 Cc BOT B 1 0.614 11.344 3.350 0.00 1.00 -ATOM 1047 Cd BOT B 1 0.614 11.344 6.700 0.00 1.00 -ATOM 1048 Ce BOT B 1 28.858 13.471 0.000 0.00 1.00 -ATOM 1049 Cf BOT B 1 28.858 13.471 3.350 0.00 1.00 -ATOM 1050 Cg BOT B 1 28.858 13.471 6.700 0.00 1.00 -ATOM 1051 Ch BOT B 1 17.806 15.597 0.000 0.00 1.00 -ATOM 1052 Ci BOT B 1 17.806 15.597 3.350 0.00 1.00 -ATOM 1053 Cj BOT B 1 17.806 15.597 6.700 0.00 1.00 -ATOM 1054 Ck BOT B 1 16.578 17.724 0.000 0.00 1.00 -ATOM 1055 Cl BOT B 1 16.578 17.724 3.350 0.00 1.00 -ATOM 1056 Cm BOT B 1 16.578 17.724 6.700 0.00 1.00 -ATOM 1057 Cn BOT B 1 15.350 19.851 0.000 0.00 1.00 -ATOM 1058 Co BOT B 1 15.350 19.851 3.350 0.00 1.00 -ATOM 1059 Cp BOT B 1 15.350 19.851 6.700 0.00 1.00 -ATOM 1060 Cq BOT B 1 14.122 21.978 0.000 0.00 1.00 -ATOM 1061 Cr BOT B 1 14.122 21.978 3.350 0.00 1.00 -ATOM 1062 Cs BOT B 1 14.122 21.978 6.700 0.00 1.00 -ATOM 1063 Ct BOT B 1 12.894 24.105 0.000 0.00 1.00 -ATOM 1064 Cu BOT B 1 12.894 24.105 3.350 0.00 1.00 -ATOM 1065 Cv BOT B 1 12.894 24.105 6.700 0.00 1.00 -ATOM 1066 Cw BOT B 1 11.666 26.232 0.000 0.00 1.00 -ATOM 1067 Cx BOT B 1 11.666 26.232 3.350 0.00 1.00 -ATOM 1068 Cy BOT B 1 11.666 26.232 6.700 0.00 1.00 -ATOM 1069 Cz BOT B 1 10.438 28.359 0.000 0.00 1.00 -ATOM 1070 C10 BOT B 1 10.438 28.359 3.350 0.00 1.00 -ATOM 1071 C11 BOT B 1 10.438 28.359 6.700 0.00 1.00 -ATOM 1072 C12 BOT B 1 9.210 0.709 0.000 0.00 1.00 -ATOM 1073 C13 BOT B 1 9.210 0.709 3.350 0.00 1.00 -ATOM 1074 C14 BOT B 1 9.210 0.709 6.700 0.00 1.00 -ATOM 1075 C15 BOT B 1 7.982 2.836 0.000 0.00 1.00 -ATOM 1076 C16 BOT B 1 7.982 2.836 3.350 0.00 1.00 -ATOM 1077 C17 BOT B 1 7.982 2.836 6.700 0.00 1.00 -ATOM 1078 C18 BOT B 1 6.754 4.963 0.000 0.00 1.00 -ATOM 1079 C19 BOT B 1 6.754 4.963 3.350 0.00 1.00 -ATOM 1080 C1A BOT B 1 6.754 4.963 6.700 0.00 1.00 -ATOM 1081 C1B BOT B 1 5.526 7.090 0.000 0.00 1.00 -ATOM 1082 C1C BOT B 1 5.526 7.090 3.350 0.00 1.00 -ATOM 1083 C1D BOT B 1 5.526 7.090 6.700 0.00 1.00 -ATOM 1084 C1E BOT B 1 4.298 9.217 0.000 0.00 1.00 -ATOM 1085 C1F BOT B 1 4.298 9.217 3.350 0.00 1.00 -ATOM 1086 C1G BOT B 1 4.298 9.217 6.700 0.00 1.00 -ATOM 1087 C1H BOT B 1 3.070 11.344 0.000 0.00 1.00 -ATOM 1088 C1I BOT B 1 3.070 11.344 3.350 0.00 1.00 -ATOM 1089 C1J BOT B 1 3.070 11.344 6.700 0.00 1.00 -ATOM 1090 C1K BOT B 1 1.842 13.471 0.000 0.00 1.00 -ATOM 1091 C1L BOT B 1 1.842 13.471 3.350 0.00 1.00 -ATOM 1092 C1M BOT B 1 1.842 13.471 6.700 0.00 1.00 -ATOM 1093 C1N BOT B 1 20.262 15.597 0.000 0.00 1.00 -ATOM 1094 C1O BOT B 1 20.262 15.597 3.350 0.00 1.00 -ATOM 1095 C1P BOT B 1 20.262 15.597 6.700 0.00 1.00 -ATOM 1096 C1Q BOT B 1 19.034 17.724 0.000 0.00 1.00 -ATOM 1097 C1R BOT B 1 19.034 17.724 3.350 0.00 1.00 -ATOM 1098 C1S BOT B 1 19.034 17.724 6.700 0.00 1.00 -ATOM 1099 C1T BOT B 1 17.806 19.851 0.000 0.00 1.00 -ATOM 1100 C1U BOT B 1 17.806 19.851 3.350 0.00 1.00 -ATOM 1101 C1V BOT B 1 17.806 19.851 6.700 0.00 1.00 -ATOM 1102 C1W BOT B 1 16.578 21.978 0.000 0.00 1.00 -ATOM 1103 C1X BOT B 1 16.578 21.978 3.350 0.00 1.00 -ATOM 1104 C1Y BOT B 1 16.578 21.978 6.700 0.00 1.00 -ATOM 1105 C1Z BOT B 1 15.350 24.105 0.000 0.00 1.00 -ATOM 1106 C1a BOT B 1 15.350 24.105 3.350 0.00 1.00 -ATOM 1107 C1b BOT B 1 15.350 24.105 6.700 0.00 1.00 -ATOM 1108 C1c BOT B 1 14.122 26.232 0.000 0.00 1.00 -ATOM 1109 C1d BOT B 1 14.122 26.232 3.350 0.00 1.00 -ATOM 1110 C1e BOT B 1 14.122 26.232 6.700 0.00 1.00 -ATOM 1111 C1f BOT B 1 12.894 28.359 0.000 0.00 1.00 -ATOM 1112 C1g BOT B 1 12.894 28.359 3.350 0.00 1.00 -ATOM 1113 C1h BOT B 1 12.894 28.359 6.700 0.00 1.00 -ATOM 1114 C1i BOT B 1 11.666 0.709 0.000 0.00 1.00 -ATOM 1115 C1j BOT B 1 11.666 0.709 3.350 0.00 1.00 -ATOM 1116 C1k BOT B 1 11.666 0.709 6.700 0.00 1.00 -ATOM 1117 C1l BOT B 1 10.438 2.836 0.000 0.00 1.00 -ATOM 1118 C1m BOT B 1 10.438 2.836 3.350 0.00 1.00 -ATOM 1119 C1n BOT B 1 10.438 2.836 6.700 0.00 1.00 -ATOM 1120 C1o BOT B 1 9.210 4.963 0.000 0.00 1.00 -ATOM 1121 C1p BOT B 1 9.210 4.963 3.350 0.00 1.00 -ATOM 1122 C1q BOT B 1 9.210 4.963 6.700 0.00 1.00 -ATOM 1123 C1r BOT B 1 7.982 7.090 0.000 0.00 1.00 -ATOM 1124 C1s BOT B 1 7.982 7.090 3.350 0.00 1.00 -ATOM 1125 C1t BOT B 1 7.982 7.090 6.700 0.00 1.00 -ATOM 1126 C1u BOT B 1 6.754 9.217 0.000 0.00 1.00 -ATOM 1127 C1v BOT B 1 6.754 9.217 3.350 0.00 1.00 -ATOM 1128 C1w BOT B 1 6.754 9.217 6.700 0.00 1.00 -ATOM 1129 C1x BOT B 1 5.526 11.344 0.000 0.00 1.00 -ATOM 1130 C1y BOT B 1 5.526 11.344 3.350 0.00 1.00 -ATOM 1131 C1z BOT B 1 5.526 11.344 6.700 0.00 1.00 -ATOM 1132 C20 BOT B 1 4.298 13.471 0.000 0.00 1.00 -ATOM 1133 C21 BOT B 1 4.298 13.471 3.350 0.00 1.00 -ATOM 1134 C22 BOT B 1 4.298 13.471 6.700 0.00 1.00 -ATOM 1135 C23 BOT B 1 22.718 15.597 0.000 0.00 1.00 -ATOM 1136 C24 BOT B 1 22.718 15.597 3.350 0.00 1.00 -ATOM 1137 C25 BOT B 1 22.718 15.597 6.700 0.00 1.00 -ATOM 1138 C26 BOT B 1 21.490 17.724 0.000 0.00 1.00 -ATOM 1139 C27 BOT B 1 21.490 17.724 3.350 0.00 1.00 -ATOM 1140 C28 BOT B 1 21.490 17.724 6.700 0.00 1.00 -ATOM 1141 C29 BOT B 1 20.262 19.851 0.000 0.00 1.00 -ATOM 1142 C2A BOT B 1 20.262 19.851 3.350 0.00 1.00 -ATOM 1143 C2B BOT B 1 20.262 19.851 6.700 0.00 1.00 -ATOM 1144 C2C BOT B 1 19.034 21.978 0.000 0.00 1.00 -ATOM 1145 C2D BOT B 1 19.034 21.978 3.350 0.00 1.00 -ATOM 1146 C2E BOT B 1 19.034 21.978 6.700 0.00 1.00 -ATOM 1147 C2F BOT B 1 17.806 24.105 0.000 0.00 1.00 -ATOM 1148 C2G BOT B 1 17.806 24.105 3.350 0.00 1.00 -ATOM 1149 C2H BOT B 1 17.806 24.105 6.700 0.00 1.00 -ATOM 1150 C2I BOT B 1 16.578 26.232 0.000 0.00 1.00 -ATOM 1151 C2J BOT B 1 16.578 26.232 3.350 0.00 1.00 -ATOM 1152 C2K BOT B 1 16.578 26.232 6.700 0.00 1.00 -ATOM 1153 C2L BOT B 1 15.350 28.359 0.000 0.00 1.00 -ATOM 1154 C2M BOT B 1 15.350 28.359 3.350 0.00 1.00 -ATOM 1155 C2N BOT B 1 15.350 28.359 6.700 0.00 1.00 -ATOM 1156 C2O BOT B 1 14.122 0.709 0.000 0.00 1.00 -ATOM 1157 C2P BOT B 1 14.122 0.709 3.350 0.00 1.00 -ATOM 1158 C2Q BOT B 1 14.122 0.709 6.700 0.00 1.00 -ATOM 1159 C2R BOT B 1 12.894 2.836 0.000 0.00 1.00 -ATOM 1160 C2S BOT B 1 12.894 2.836 3.350 0.00 1.00 -ATOM 1161 C2T BOT B 1 12.894 2.836 6.700 0.00 1.00 -ATOM 1162 C2U BOT B 1 11.666 4.963 0.000 0.00 1.00 -ATOM 1163 C2V BOT B 1 11.666 4.963 3.350 0.00 1.00 -ATOM 1164 C2W BOT B 1 11.666 4.963 6.700 0.00 1.00 -ATOM 1165 C2X BOT B 1 10.438 7.090 0.000 0.00 1.00 -ATOM 1166 C2Y BOT B 1 10.438 7.090 3.350 0.00 1.00 -ATOM 1167 C2Z BOT B 1 10.438 7.090 6.700 0.00 1.00 -ATOM 1168 C2a BOT B 1 9.210 9.217 0.000 0.00 1.00 -ATOM 1169 C2b BOT B 1 9.210 9.217 3.350 0.00 1.00 -ATOM 1170 C2c BOT B 1 9.210 9.217 6.700 0.00 1.00 -ATOM 1171 C2d BOT B 1 7.982 11.344 0.000 0.00 1.00 -ATOM 1172 C2e BOT B 1 7.982 11.344 3.350 0.00 1.00 -ATOM 1173 C2f BOT B 1 7.982 11.344 6.700 0.00 1.00 -ATOM 1174 C2g BOT B 1 6.754 13.471 0.000 0.00 1.00 -ATOM 1175 C2h BOT B 1 6.754 13.471 3.350 0.00 1.00 -ATOM 1176 C2i BOT B 1 6.754 13.471 6.700 0.00 1.00 -ATOM 1177 C2j BOT B 1 25.174 15.597 0.000 0.00 1.00 -ATOM 1178 C2k BOT B 1 25.174 15.597 3.350 0.00 1.00 -ATOM 1179 C2l BOT B 1 25.174 15.597 6.700 0.00 1.00 -ATOM 1180 C2m BOT B 1 23.946 17.724 0.000 0.00 1.00 -ATOM 1181 C2n BOT B 1 23.946 17.724 3.350 0.00 1.00 -ATOM 1182 C2o BOT B 1 23.946 17.724 6.700 0.00 1.00 -ATOM 1183 C2p BOT B 1 22.718 19.851 0.000 0.00 1.00 -ATOM 1184 C2q BOT B 1 22.718 19.851 3.350 0.00 1.00 -ATOM 1185 C2r BOT B 1 22.718 19.851 6.700 0.00 1.00 -ATOM 1186 C2s BOT B 1 21.490 21.978 0.000 0.00 1.00 -ATOM 1187 C2t BOT B 1 21.490 21.978 3.350 0.00 1.00 -ATOM 1188 C2u BOT B 1 21.490 21.978 6.700 0.00 1.00 -ATOM 1189 C2v BOT B 1 20.262 24.105 0.000 0.00 1.00 -ATOM 1190 C2w BOT B 1 20.262 24.105 3.350 0.00 1.00 -ATOM 1191 C2x BOT B 1 20.262 24.105 6.700 0.00 1.00 -ATOM 1192 C2y BOT B 1 19.034 26.232 0.000 0.00 1.00 -ATOM 1193 C2z BOT B 1 19.034 26.232 3.350 0.00 1.00 -ATOM 1194 C30 BOT B 1 19.034 26.232 6.700 0.00 1.00 -ATOM 1195 C31 BOT B 1 17.806 28.359 0.000 0.00 1.00 -ATOM 1196 C32 BOT B 1 17.806 28.359 3.350 0.00 1.00 -ATOM 1197 C33 BOT B 1 17.806 28.359 6.700 0.00 1.00 -ATOM 1198 C34 BOT B 1 16.578 0.709 0.000 0.00 1.00 -ATOM 1199 C35 BOT B 1 16.578 0.709 3.350 0.00 1.00 -ATOM 1200 C36 BOT B 1 16.578 0.709 6.700 0.00 1.00 -ATOM 1201 C37 BOT B 1 15.350 2.836 0.000 0.00 1.00 -ATOM 1202 C38 BOT B 1 15.350 2.836 3.350 0.00 1.00 -ATOM 1203 C39 BOT B 1 15.350 2.836 6.700 0.00 1.00 -ATOM 1204 C3A BOT B 1 14.122 4.963 0.000 0.00 1.00 -ATOM 1205 C3B BOT B 1 14.122 4.963 3.350 0.00 1.00 -ATOM 1206 C3C BOT B 1 14.122 4.963 6.700 0.00 1.00 -ATOM 1207 C3D BOT B 1 12.894 7.090 0.000 0.00 1.00 -ATOM 1208 C3E BOT B 1 12.894 7.090 3.350 0.00 1.00 -ATOM 1209 C3F BOT B 1 12.894 7.090 6.700 0.00 1.00 -ATOM 1210 C3G BOT B 1 11.666 9.217 0.000 0.00 1.00 -ATOM 1211 C3H BOT B 1 11.666 9.217 3.350 0.00 1.00 -ATOM 1212 C3I BOT B 1 11.666 9.217 6.700 0.00 1.00 -ATOM 1213 C3J BOT B 1 10.438 11.344 0.000 0.00 1.00 -ATOM 1214 C3K BOT B 1 10.438 11.344 3.350 0.00 1.00 -ATOM 1215 C3L BOT B 1 10.438 11.344 6.700 0.00 1.00 -ATOM 1216 C3M BOT B 1 9.210 13.471 0.000 0.00 1.00 -ATOM 1217 C3N BOT B 1 9.210 13.471 3.350 0.00 1.00 -ATOM 1218 C3O BOT B 1 9.210 13.471 6.700 0.00 1.00 -ATOM 1219 C3P BOT B 1 27.630 15.597 0.000 0.00 1.00 -ATOM 1220 C3Q BOT B 1 27.630 15.597 3.350 0.00 1.00 -ATOM 1221 C3R BOT B 1 27.630 15.597 6.700 0.00 1.00 -ATOM 1222 C3S BOT B 1 26.402 17.724 0.000 0.00 1.00 -ATOM 1223 C3T BOT B 1 26.402 17.724 3.350 0.00 1.00 -ATOM 1224 C3U BOT B 1 26.402 17.724 6.700 0.00 1.00 -ATOM 1225 C3V BOT B 1 25.174 19.851 0.000 0.00 1.00 -ATOM 1226 C3W BOT B 1 25.174 19.851 3.350 0.00 1.00 -ATOM 1227 C3X BOT B 1 25.174 19.851 6.700 0.00 1.00 -ATOM 1228 C3Y BOT B 1 23.946 21.978 0.000 0.00 1.00 -ATOM 1229 C3Z BOT B 1 23.946 21.978 3.350 0.00 1.00 -ATOM 1230 C3a BOT B 1 23.946 21.978 6.700 0.00 1.00 -ATOM 1231 C3b BOT B 1 22.718 24.105 0.000 0.00 1.00 -ATOM 1232 C3c BOT B 1 22.718 24.105 3.350 0.00 1.00 -ATOM 1233 C3d BOT B 1 22.718 24.105 6.700 0.00 1.00 -ATOM 1234 C3e BOT B 1 21.490 26.232 0.000 0.00 1.00 -ATOM 1235 C3f BOT B 1 21.490 26.232 3.350 0.00 1.00 -ATOM 1236 C3g BOT B 1 21.490 26.232 6.700 0.00 1.00 -ATOM 1237 C3h BOT B 1 20.262 28.359 0.000 0.00 1.00 -ATOM 1238 C3i BOT B 1 20.262 28.359 3.350 0.00 1.00 -ATOM 1239 C3j BOT B 1 20.262 28.359 6.700 0.00 1.00 -ATOM 1240 C3k BOT B 1 19.034 0.709 0.000 0.00 1.00 -ATOM 1241 C3l BOT B 1 19.034 0.709 3.350 0.00 1.00 -ATOM 1242 C3m BOT B 1 19.034 0.709 6.700 0.00 1.00 -ATOM 1243 C3n BOT B 1 17.806 2.836 0.000 0.00 1.00 -ATOM 1244 C3o BOT B 1 17.806 2.836 3.350 0.00 1.00 -ATOM 1245 C3p BOT B 1 17.806 2.836 6.700 0.00 1.00 -ATOM 1246 C3q BOT B 1 16.578 4.963 0.000 0.00 1.00 -ATOM 1247 C3r BOT B 1 16.578 4.963 3.350 0.00 1.00 -ATOM 1248 C3s BOT B 1 16.578 4.963 6.700 0.00 1.00 -ATOM 1249 C3t BOT B 1 15.350 7.090 0.000 0.00 1.00 -ATOM 1250 C3u BOT B 1 15.350 7.090 3.350 0.00 1.00 -ATOM 1251 C3v BOT B 1 15.350 7.090 6.700 0.00 1.00 -ATOM 1252 C3w BOT B 1 14.122 9.217 0.000 0.00 1.00 -ATOM 1253 C3x BOT B 1 14.122 9.217 3.350 0.00 1.00 -ATOM 1254 C3y BOT B 1 14.122 9.217 6.700 0.00 1.00 -ATOM 1255 C3z BOT B 1 12.894 11.344 0.000 0.00 1.00 -ATOM 1256 C40 BOT B 1 12.894 11.344 3.350 0.00 1.00 -ATOM 1257 C41 BOT B 1 12.894 11.344 6.700 0.00 1.00 -ATOM 1258 C42 BOT B 1 11.666 13.471 0.000 0.00 1.00 -ATOM 1259 C43 BOT B 1 11.666 13.471 3.350 0.00 1.00 -ATOM 1260 C44 BOT B 1 11.666 13.471 6.700 0.00 1.00 -ATOM 1261 C45 BOT B 1 0.614 15.597 0.000 0.00 1.00 -ATOM 1262 C46 BOT B 1 0.614 15.597 3.350 0.00 1.00 -ATOM 1263 C47 BOT B 1 0.614 15.597 6.700 0.00 1.00 -ATOM 1264 C48 BOT B 1 28.858 17.724 0.000 0.00 1.00 -ATOM 1265 C49 BOT B 1 28.858 17.724 3.350 0.00 1.00 -ATOM 1266 C4A BOT B 1 28.858 17.724 6.700 0.00 1.00 -ATOM 1267 C4B BOT B 1 27.630 19.851 0.000 0.00 1.00 -ATOM 1268 C4C BOT B 1 27.630 19.851 3.350 0.00 1.00 -ATOM 1269 C4D BOT B 1 27.630 19.851 6.700 0.00 1.00 -ATOM 1270 C4E BOT B 1 26.402 21.978 0.000 0.00 1.00 -ATOM 1271 C4F BOT B 1 26.402 21.978 3.350 0.00 1.00 -ATOM 1272 C4G BOT B 1 26.402 21.978 6.700 0.00 1.00 -ATOM 1273 C4H BOT B 1 25.174 24.105 0.000 0.00 1.00 -ATOM 1274 C4I BOT B 1 25.174 24.105 3.350 0.00 1.00 -ATOM 1275 C4J BOT B 1 25.174 24.105 6.700 0.00 1.00 -ATOM 1276 C4K BOT B 1 23.946 26.232 0.000 0.00 1.00 -ATOM 1277 C4L BOT B 1 23.946 26.232 3.350 0.00 1.00 -ATOM 1278 C4M BOT B 1 23.946 26.232 6.700 0.00 1.00 -ATOM 1279 C4N BOT B 1 22.718 28.359 0.000 0.00 1.00 -ATOM 1280 C4O BOT B 1 22.718 28.359 3.350 0.00 1.00 -ATOM 1281 C4P BOT B 1 22.718 28.359 6.700 0.00 1.00 -ATOM 1282 C4Q BOT B 1 21.490 0.709 0.000 0.00 1.00 -ATOM 1283 C4R BOT B 1 21.490 0.709 3.350 0.00 1.00 -ATOM 1284 C4S BOT B 1 21.490 0.709 6.700 0.00 1.00 -ATOM 1285 C4T BOT B 1 20.262 2.836 0.000 0.00 1.00 -ATOM 1286 C4U BOT B 1 20.262 2.836 3.350 0.00 1.00 -ATOM 1287 C4V BOT B 1 20.262 2.836 6.700 0.00 1.00 -ATOM 1288 C4W BOT B 1 19.034 4.963 0.000 0.00 1.00 -ATOM 1289 C4X BOT B 1 19.034 4.963 3.350 0.00 1.00 -ATOM 1290 C4Y BOT B 1 19.034 4.963 6.700 0.00 1.00 -ATOM 1291 C4Z BOT B 1 17.806 7.090 0.000 0.00 1.00 -ATOM 1292 C4a BOT B 1 17.806 7.090 3.350 0.00 1.00 -ATOM 1293 C4b BOT B 1 17.806 7.090 6.700 0.00 1.00 -ATOM 1294 C4c BOT B 1 16.578 9.217 0.000 0.00 1.00 -ATOM 1295 C4d BOT B 1 16.578 9.217 3.350 0.00 1.00 -ATOM 1296 C4e BOT B 1 16.578 9.217 6.700 0.00 1.00 -ATOM 1297 C4f BOT B 1 15.350 11.344 0.000 0.00 1.00 -ATOM 1298 C4g BOT B 1 15.350 11.344 3.350 0.00 1.00 -ATOM 1299 C4h BOT B 1 15.350 11.344 6.700 0.00 1.00 -ATOM 1300 C4i BOT B 1 14.122 13.471 0.000 0.00 1.00 -ATOM 1301 C4j BOT B 1 14.122 13.471 3.350 0.00 1.00 -ATOM 1302 C4k BOT B 1 14.122 13.471 6.700 0.00 1.00 -ATOM 1303 C4l BOT B 1 3.070 15.597 0.000 0.00 1.00 -ATOM 1304 C4m BOT B 1 3.070 15.597 3.350 0.00 1.00 -ATOM 1305 C4n BOT B 1 3.070 15.597 6.700 0.00 1.00 -ATOM 1306 C4o BOT B 1 1.842 17.724 0.000 0.00 1.00 -ATOM 1307 C4p BOT B 1 1.842 17.724 3.350 0.00 1.00 -ATOM 1308 C4q BOT B 1 1.842 17.724 6.700 0.00 1.00 -ATOM 1309 C4r BOT B 1 0.614 19.851 0.000 0.00 1.00 -ATOM 1310 C4s BOT B 1 0.614 19.851 3.350 0.00 1.00 -ATOM 1311 C4t BOT B 1 0.614 19.851 6.700 0.00 1.00 -ATOM 1312 C4u BOT B 1 28.858 21.978 0.000 0.00 1.00 -ATOM 1313 C4v BOT B 1 28.858 21.978 3.350 0.00 1.00 -ATOM 1314 C4w BOT B 1 28.858 21.978 6.700 0.00 1.00 -ATOM 1315 C4x BOT B 1 27.630 24.105 0.000 0.00 1.00 -ATOM 1316 C4y BOT B 1 27.630 24.105 3.350 0.00 1.00 -ATOM 1317 C4z BOT B 1 27.630 24.105 6.700 0.00 1.00 -ATOM 1318 C50 BOT B 1 26.402 26.232 0.000 0.00 1.00 -ATOM 1319 C51 BOT B 1 26.402 26.232 3.350 0.00 1.00 -ATOM 1320 C52 BOT B 1 26.402 26.232 6.700 0.00 1.00 -ATOM 1321 C53 BOT B 1 25.174 28.359 0.000 0.00 1.00 -ATOM 1322 C54 BOT B 1 25.174 28.359 3.350 0.00 1.00 -ATOM 1323 C55 BOT B 1 25.174 28.359 6.700 0.00 1.00 -ATOM 1324 C56 BOT B 1 23.946 0.709 0.000 0.00 1.00 -ATOM 1325 C57 BOT B 1 23.946 0.709 3.350 0.00 1.00 -ATOM 1326 C58 BOT B 1 23.946 0.709 6.700 0.00 1.00 -ATOM 1327 C59 BOT B 1 22.718 2.836 0.000 0.00 1.00 -ATOM 1328 C5A BOT B 1 22.718 2.836 3.350 0.00 1.00 -ATOM 1329 C5B BOT B 1 22.718 2.836 6.700 0.00 1.00 -ATOM 1330 C5C BOT B 1 21.490 4.963 0.000 0.00 1.00 -ATOM 1331 C5D BOT B 1 21.490 4.963 3.350 0.00 1.00 -ATOM 1332 C5E BOT B 1 21.490 4.963 6.700 0.00 1.00 -ATOM 1333 C5F BOT B 1 20.262 7.090 0.000 0.00 1.00 -ATOM 1334 C5G BOT B 1 20.262 7.090 3.350 0.00 1.00 -ATOM 1335 C5H BOT B 1 20.262 7.090 6.700 0.00 1.00 -ATOM 1336 C5I BOT B 1 19.034 9.217 0.000 0.00 1.00 -ATOM 1337 C5J BOT B 1 19.034 9.217 3.350 0.00 1.00 -ATOM 1338 C5K BOT B 1 19.034 9.217 6.700 0.00 1.00 -ATOM 1339 C5L BOT B 1 17.806 11.344 0.000 0.00 1.00 -ATOM 1340 C5M BOT B 1 17.806 11.344 3.350 0.00 1.00 -ATOM 1341 C5N BOT B 1 17.806 11.344 6.700 0.00 1.00 -ATOM 1342 C5O BOT B 1 16.578 13.471 0.000 0.00 1.00 -ATOM 1343 C5P BOT B 1 16.578 13.471 3.350 0.00 1.00 -ATOM 1344 C5Q BOT B 1 16.578 13.471 6.700 0.00 1.00 -ATOM 1345 C5R BOT B 1 5.526 15.597 0.000 0.00 1.00 -ATOM 1346 C5S BOT B 1 5.526 15.597 3.350 0.00 1.00 -ATOM 1347 C5T BOT B 1 5.526 15.597 6.700 0.00 1.00 -ATOM 1348 C5U BOT B 1 4.298 17.724 0.000 0.00 1.00 -ATOM 1349 C5V BOT B 1 4.298 17.724 3.350 0.00 1.00 -ATOM 1350 C5W BOT B 1 4.298 17.724 6.700 0.00 1.00 -ATOM 1351 C5X BOT B 1 3.070 19.851 0.000 0.00 1.00 -ATOM 1352 C5Y BOT B 1 3.070 19.851 3.350 0.00 1.00 -ATOM 1353 C5Z BOT B 1 3.070 19.851 6.700 0.00 1.00 -ATOM 1354 C5a BOT B 1 1.842 21.978 0.000 0.00 1.00 -ATOM 1355 C5b BOT B 1 1.842 21.978 3.350 0.00 1.00 -ATOM 1356 C5c BOT B 1 1.842 21.978 6.700 0.00 1.00 -ATOM 1357 C5d BOT B 1 0.614 24.105 0.000 0.00 1.00 -ATOM 1358 C5e BOT B 1 0.614 24.105 3.350 0.00 1.00 -ATOM 1359 C5f BOT B 1 0.614 24.105 6.700 0.00 1.00 -ATOM 1360 C5g BOT B 1 28.858 26.232 0.000 0.00 1.00 -ATOM 1361 C5h BOT B 1 28.858 26.232 3.350 0.00 1.00 -ATOM 1362 C5i BOT B 1 28.858 26.232 6.700 0.00 1.00 -ATOM 1363 C5j BOT B 1 27.630 28.359 0.000 0.00 1.00 -ATOM 1364 C5k BOT B 1 27.630 28.359 3.350 0.00 1.00 -ATOM 1365 C5l BOT B 1 27.630 28.359 6.700 0.00 1.00 -ATOM 1366 C5m BOT B 1 26.402 0.709 0.000 0.00 1.00 -ATOM 1367 C5n BOT B 1 26.402 0.709 3.350 0.00 1.00 -ATOM 1368 C5o BOT B 1 26.402 0.709 6.700 0.00 1.00 -ATOM 1369 C5p BOT B 1 25.174 2.836 0.000 0.00 1.00 -ATOM 1370 C5q BOT B 1 25.174 2.836 3.350 0.00 1.00 -ATOM 1371 C5r BOT B 1 25.174 2.836 6.700 0.00 1.00 -ATOM 1372 C5s BOT B 1 23.946 4.963 0.000 0.00 1.00 -ATOM 1373 C5t BOT B 1 23.946 4.963 3.350 0.00 1.00 -ATOM 1374 C5u BOT B 1 23.946 4.963 6.700 0.00 1.00 -ATOM 1375 C5v BOT B 1 22.718 7.090 0.000 0.00 1.00 -ATOM 1376 C5w BOT B 1 22.718 7.090 3.350 0.00 1.00 -ATOM 1377 C5x BOT B 1 22.718 7.090 6.700 0.00 1.00 -ATOM 1378 C5y BOT B 1 21.490 9.217 0.000 0.00 1.00 -ATOM 1379 C5z BOT B 1 21.490 9.217 3.350 0.00 1.00 -ATOM 1380 C60 BOT B 1 21.490 9.217 6.700 0.00 1.00 -ATOM 1381 C61 BOT B 1 20.262 11.344 0.000 0.00 1.00 -ATOM 1382 C62 BOT B 1 20.262 11.344 3.350 0.00 1.00 -ATOM 1383 C63 BOT B 1 20.262 11.344 6.700 0.00 1.00 -ATOM 1384 C64 BOT B 1 19.034 13.471 0.000 0.00 1.00 -ATOM 1385 C65 BOT B 1 19.034 13.471 3.350 0.00 1.00 -ATOM 1386 C66 BOT B 1 19.034 13.471 6.700 0.00 1.00 -ATOM 1387 C67 BOT B 1 7.982 15.597 0.000 0.00 1.00 -ATOM 1388 C68 BOT B 1 7.982 15.597 3.350 0.00 1.00 -ATOM 1389 C69 BOT B 1 7.982 15.597 6.700 0.00 1.00 -ATOM 1390 C6A BOT B 1 6.754 17.724 0.000 0.00 1.00 -ATOM 1391 C6B BOT B 1 6.754 17.724 3.350 0.00 1.00 -ATOM 1392 C6C BOT B 1 6.754 17.724 6.700 0.00 1.00 -ATOM 1393 C6D BOT B 1 5.526 19.851 0.000 0.00 1.00 -ATOM 1394 C6E BOT B 1 5.526 19.851 3.350 0.00 1.00 -ATOM 1395 C6F BOT B 1 5.526 19.851 6.700 0.00 1.00 -ATOM 1396 C6G BOT B 1 4.298 21.978 0.000 0.00 1.00 -ATOM 1397 C6H BOT B 1 4.298 21.978 3.350 0.00 1.00 -ATOM 1398 C6I BOT B 1 4.298 21.978 6.700 0.00 1.00 -ATOM 1399 C6J BOT B 1 3.070 24.105 0.000 0.00 1.00 -ATOM 1400 C6K BOT B 1 3.070 24.105 3.350 0.00 1.00 -ATOM 1401 C6L BOT B 1 3.070 24.105 6.700 0.00 1.00 -ATOM 1402 C6M BOT B 1 1.842 26.232 0.000 0.00 1.00 -ATOM 1403 C6N BOT B 1 1.842 26.232 3.350 0.00 1.00 -ATOM 1404 C6O BOT B 1 1.842 26.232 6.700 0.00 1.00 -ATOM 1405 C6P BOT B 1 0.614 28.359 0.000 0.00 1.00 -ATOM 1406 C6Q BOT B 1 0.614 28.359 3.350 0.00 1.00 -ATOM 1407 C6R BOT B 1 0.614 28.359 6.700 0.00 1.00 -ATOM 1408 C6S BOT B 1 28.858 0.709 0.000 0.00 1.00 -ATOM 1409 C6T BOT B 1 28.858 0.709 3.350 0.00 1.00 -ATOM 1410 C6U BOT B 1 28.858 0.709 6.700 0.00 1.00 -ATOM 1411 C6V BOT B 1 27.630 2.836 0.000 0.00 1.00 -ATOM 1412 C6W BOT B 1 27.630 2.836 3.350 0.00 1.00 -ATOM 1413 C6X BOT B 1 27.630 2.836 6.700 0.00 1.00 -ATOM 1414 C6Y BOT B 1 26.402 4.963 0.000 0.00 1.00 -ATOM 1415 C6Z BOT B 1 26.402 4.963 3.350 0.00 1.00 -ATOM 1416 C6a BOT B 1 26.402 4.963 6.700 0.00 1.00 -ATOM 1417 C6b BOT B 1 25.174 7.090 0.000 0.00 1.00 -ATOM 1418 C6c BOT B 1 25.174 7.090 3.350 0.00 1.00 -ATOM 1419 C6d BOT B 1 25.174 7.090 6.700 0.00 1.00 -ATOM 1420 C6e BOT B 1 23.946 9.217 0.000 0.00 1.00 -ATOM 1421 C6f BOT B 1 23.946 9.217 3.350 0.00 1.00 -ATOM 1422 C6g BOT B 1 23.946 9.217 6.700 0.00 1.00 -ATOM 1423 C6h BOT B 1 22.718 11.344 0.000 0.00 1.00 -ATOM 1424 C6i BOT B 1 22.718 11.344 3.350 0.00 1.00 -ATOM 1425 C6j BOT B 1 22.718 11.344 6.700 0.00 1.00 -ATOM 1426 C6k BOT B 1 21.490 13.471 0.000 0.00 1.00 -ATOM 1427 C6l BOT B 1 21.490 13.471 3.350 0.00 1.00 -ATOM 1428 C6m BOT B 1 21.490 13.471 6.700 0.00 1.00 -ATOM 1429 C6n BOT B 1 10.438 15.597 0.000 0.00 1.00 -ATOM 1430 C6o BOT B 1 10.438 15.597 3.350 0.00 1.00 -ATOM 1431 C6p BOT B 1 10.438 15.597 6.700 0.00 1.00 -ATOM 1432 C6q BOT B 1 9.210 17.724 0.000 0.00 1.00 -ATOM 1433 C6r BOT B 1 9.210 17.724 3.350 0.00 1.00 -ATOM 1434 C6s BOT B 1 9.210 17.724 6.700 0.00 1.00 -ATOM 1435 C6t BOT B 1 7.982 19.851 0.000 0.00 1.00 -ATOM 1436 C6u BOT B 1 7.982 19.851 3.350 0.00 1.00 -ATOM 1437 C6v BOT B 1 7.982 19.851 6.700 0.00 1.00 -ATOM 1438 C6w BOT B 1 6.754 21.978 0.000 0.00 1.00 -ATOM 1439 C6x BOT B 1 6.754 21.978 3.350 0.00 1.00 -ATOM 1440 C6y BOT B 1 6.754 21.978 6.700 0.00 1.00 -ATOM 1441 C6z BOT B 1 5.526 24.105 0.000 0.00 1.00 -ATOM 1442 C70 BOT B 1 5.526 24.105 3.350 0.00 1.00 -ATOM 1443 C71 BOT B 1 5.526 24.105 6.700 0.00 1.00 -ATOM 1444 C72 BOT B 1 4.298 26.232 0.000 0.00 1.00 -ATOM 1445 C73 BOT B 1 4.298 26.232 3.350 0.00 1.00 -ATOM 1446 C74 BOT B 1 4.298 26.232 6.700 0.00 1.00 -ATOM 1447 C75 BOT B 1 3.070 28.359 0.000 0.00 1.00 -ATOM 1448 C76 BOT B 1 3.070 28.359 3.350 0.00 1.00 -ATOM 1449 C77 BOT B 1 3.070 28.359 6.700 0.00 1.00 -ATOM 1450 C78 BOT B 1 1.842 0.709 0.000 0.00 1.00 -ATOM 1451 C79 BOT B 1 1.842 0.709 3.350 0.00 1.00 -ATOM 1452 C7A BOT B 1 1.842 0.709 6.700 0.00 1.00 -ATOM 1453 C7B BOT B 1 0.614 2.836 0.000 0.00 1.00 -ATOM 1454 C7C BOT B 1 0.614 2.836 3.350 0.00 1.00 -ATOM 1455 C7D BOT B 1 0.614 2.836 6.700 0.00 1.00 -ATOM 1456 C7E BOT B 1 28.858 4.963 0.000 0.00 1.00 -ATOM 1457 C7F BOT B 1 28.858 4.963 3.350 0.00 1.00 -ATOM 1458 C7G BOT B 1 28.858 4.963 6.700 0.00 1.00 -ATOM 1459 C7H BOT B 1 27.630 7.090 0.000 0.00 1.00 -ATOM 1460 C7I BOT B 1 27.630 7.090 3.350 0.00 1.00 -ATOM 1461 C7J BOT B 1 27.630 7.090 6.700 0.00 1.00 -ATOM 1462 C7K BOT B 1 26.402 9.217 0.000 0.00 1.00 -ATOM 1463 C7L BOT B 1 26.402 9.217 3.350 0.00 1.00 -ATOM 1464 C7M BOT B 1 26.402 9.217 6.700 0.00 1.00 -ATOM 1465 C7N BOT B 1 25.174 11.344 0.000 0.00 1.00 -ATOM 1466 C7O BOT B 1 25.174 11.344 3.350 0.00 1.00 -ATOM 1467 C7P BOT B 1 25.174 11.344 6.700 0.00 1.00 -ATOM 1468 C7Q BOT B 1 23.946 13.471 0.000 0.00 1.00 -ATOM 1469 C7R BOT B 1 23.946 13.471 3.350 0.00 1.00 -ATOM 1470 C7S BOT B 1 23.946 13.471 6.700 0.00 1.00 -ATOM 1471 C7T BOT B 1 12.894 15.597 0.000 0.00 1.00 -ATOM 1472 C7U BOT B 1 12.894 15.597 3.350 0.00 1.00 -ATOM 1473 C7V BOT B 1 12.894 15.597 6.700 0.00 1.00 -ATOM 1474 C7W BOT B 1 11.666 17.724 0.000 0.00 1.00 -ATOM 1475 C7X BOT B 1 11.666 17.724 3.350 0.00 1.00 -ATOM 1476 C7Y BOT B 1 11.666 17.724 6.700 0.00 1.00 -ATOM 1477 C7Z BOT B 1 10.438 19.851 0.000 0.00 1.00 -ATOM 1478 C7a BOT B 1 10.438 19.851 3.350 0.00 1.00 -ATOM 1479 C7b BOT B 1 10.438 19.851 6.700 0.00 1.00 -ATOM 1480 C7c BOT B 1 9.210 21.978 0.000 0.00 1.00 -ATOM 1481 C7d BOT B 1 9.210 21.978 3.350 0.00 1.00 -ATOM 1482 C7e BOT B 1 9.210 21.978 6.700 0.00 1.00 -ATOM 1483 C7f BOT B 1 7.982 24.105 0.000 0.00 1.00 -ATOM 1484 C7g BOT B 1 7.982 24.105 3.350 0.00 1.00 -ATOM 1485 C7h BOT B 1 7.982 24.105 6.700 0.00 1.00 -ATOM 1486 C7i BOT B 1 6.754 26.232 0.000 0.00 1.00 -ATOM 1487 C7j BOT B 1 6.754 26.232 3.350 0.00 1.00 -ATOM 1488 C7k BOT B 1 6.754 26.232 6.700 0.00 1.00 -ATOM 1489 C7l BOT B 1 5.526 28.359 0.000 0.00 1.00 -ATOM 1490 C7m BOT B 1 5.526 28.359 3.350 0.00 1.00 -ATOM 1491 C7n BOT B 1 5.526 28.359 6.700 0.00 1.00 -ATOM 1492 C7o BOT B 1 4.298 0.709 0.000 0.00 1.00 -ATOM 1493 C7p BOT B 1 4.298 0.709 3.350 0.00 1.00 -ATOM 1494 C7q BOT B 1 4.298 0.709 6.700 0.00 1.00 -ATOM 1495 C7r BOT B 1 3.070 2.836 0.000 0.00 1.00 -ATOM 1496 C7s BOT B 1 3.070 2.836 3.350 0.00 1.00 -ATOM 1497 C7t BOT B 1 3.070 2.836 6.700 0.00 1.00 -ATOM 1498 C7u BOT B 1 1.842 4.963 0.000 0.00 1.00 -ATOM 1499 C7v BOT B 1 1.842 4.963 3.350 0.00 1.00 -ATOM 1500 C7w BOT B 1 1.842 4.963 6.700 0.00 1.00 -ATOM 1501 C7x BOT B 1 0.614 7.090 0.000 0.00 1.00 -ATOM 1502 C7y BOT B 1 0.614 7.090 3.350 0.00 1.00 -ATOM 1503 C7z BOT B 1 0.614 7.090 6.700 0.00 1.00 -ATOM 1504 C80 BOT B 1 28.858 9.217 0.000 0.00 1.00 -ATOM 1505 C81 BOT B 1 28.858 9.217 3.350 0.00 1.00 -ATOM 1506 C82 BOT B 1 28.858 9.217 6.700 0.00 1.00 -ATOM 1507 C83 BOT B 1 27.630 11.344 0.000 0.00 1.00 -ATOM 1508 C84 BOT B 1 27.630 11.344 3.350 0.00 1.00 -ATOM 1509 C85 BOT B 1 27.630 11.344 6.700 0.00 1.00 -ATOM 1510 C86 BOT B 1 26.402 13.471 0.000 0.00 1.00 -ATOM 1511 C87 BOT B 1 26.402 13.471 3.350 0.00 1.00 -ATOM 1512 C88 BOT B 1 26.402 13.471 6.700 0.00 1.00 -ATOM 1513 C89 BOT B 1 16.578 16.306 0.000 0.00 1.00 -ATOM 1514 C8A BOT B 1 16.578 16.306 3.350 0.00 1.00 -ATOM 1515 C8B BOT B 1 16.578 16.306 6.700 0.00 1.00 -ATOM 1516 C8C BOT B 1 15.350 18.433 0.000 0.00 1.00 -ATOM 1517 C8D BOT B 1 15.350 18.433 3.350 0.00 1.00 -ATOM 1518 C8E BOT B 1 15.350 18.433 6.700 0.00 1.00 -ATOM 1519 C8F BOT B 1 14.122 20.560 0.000 0.00 1.00 -ATOM 1520 C8G BOT B 1 14.122 20.560 3.350 0.00 1.00 -ATOM 1521 C8H BOT B 1 14.122 20.560 6.700 0.00 1.00 -ATOM 1522 C8I BOT B 1 12.894 22.687 0.000 0.00 1.00 -ATOM 1523 C8J BOT B 1 12.894 22.687 3.350 0.00 1.00 -ATOM 1524 C8K BOT B 1 12.894 22.687 6.700 0.00 1.00 -ATOM 1525 C8L BOT B 1 11.666 24.814 0.000 0.00 1.00 -ATOM 1526 C8M BOT B 1 11.666 24.814 3.350 0.00 1.00 -ATOM 1527 C8N BOT B 1 11.666 24.814 6.700 0.00 1.00 -ATOM 1528 C8O BOT B 1 10.438 26.941 0.000 0.00 1.00 -ATOM 1529 C8P BOT B 1 10.438 26.941 3.350 0.00 1.00 -ATOM 1530 C8Q BOT B 1 10.438 26.941 6.700 0.00 1.00 -ATOM 1531 C8R BOT B 1 9.210 29.068 0.000 0.00 1.00 -ATOM 1532 C8S BOT B 1 9.210 29.068 3.350 0.00 1.00 -ATOM 1533 C8T BOT B 1 9.210 29.068 6.700 0.00 1.00 -ATOM 1534 C8U BOT B 1 7.982 1.418 0.000 0.00 1.00 -ATOM 1535 C8V BOT B 1 7.982 1.418 3.350 0.00 1.00 -ATOM 1536 C8W BOT B 1 7.982 1.418 6.700 0.00 1.00 -ATOM 1537 C8X BOT B 1 6.754 3.545 0.000 0.00 1.00 -ATOM 1538 C8Y BOT B 1 6.754 3.545 3.350 0.00 1.00 -ATOM 1539 C8Z BOT B 1 6.754 3.545 6.700 0.00 1.00 -ATOM 1540 C8a BOT B 1 5.526 5.672 0.000 0.00 1.00 -ATOM 1541 C8b BOT B 1 5.526 5.672 3.350 0.00 1.00 -ATOM 1542 C8c BOT B 1 5.526 5.672 6.700 0.00 1.00 -ATOM 1543 C8d BOT B 1 4.298 7.799 0.000 0.00 1.00 -ATOM 1544 C8e BOT B 1 4.298 7.799 3.350 0.00 1.00 -ATOM 1545 C8f BOT B 1 4.298 7.799 6.700 0.00 1.00 -ATOM 1546 C8g BOT B 1 3.070 9.926 0.000 0.00 1.00 -ATOM 1547 C8h BOT B 1 3.070 9.926 3.350 0.00 1.00 -ATOM 1548 C8i BOT B 1 3.070 9.926 6.700 0.00 1.00 -ATOM 1549 C8j BOT B 1 1.842 12.053 0.000 0.00 1.00 -ATOM 1550 C8k BOT B 1 1.842 12.053 3.350 0.00 1.00 -ATOM 1551 C8l BOT B 1 1.842 12.053 6.700 0.00 1.00 -ATOM 1552 C8m BOT B 1 0.614 14.180 0.000 0.00 1.00 -ATOM 1553 C8n BOT B 1 0.614 14.180 3.350 0.00 1.00 -ATOM 1554 C8o BOT B 1 0.614 14.180 6.700 0.00 1.00 -ATOM 1555 C8p BOT B 1 19.034 16.306 0.000 0.00 1.00 -ATOM 1556 C8q BOT B 1 19.034 16.306 3.350 0.00 1.00 -ATOM 1557 C8r BOT B 1 19.034 16.306 6.700 0.00 1.00 -ATOM 1558 C8s BOT B 1 17.806 18.433 0.000 0.00 1.00 -ATOM 1559 C8t BOT B 1 17.806 18.433 3.350 0.00 1.00 -ATOM 1560 C8u BOT B 1 17.806 18.433 6.700 0.00 1.00 -ATOM 1561 C8v BOT B 1 16.578 20.560 0.000 0.00 1.00 -ATOM 1562 C8w BOT B 1 16.578 20.560 3.350 0.00 1.00 -ATOM 1563 C8x BOT B 1 16.578 20.560 6.700 0.00 1.00 -ATOM 1564 C8y BOT B 1 15.350 22.687 0.000 0.00 1.00 -ATOM 1565 C8z BOT B 1 15.350 22.687 3.350 0.00 1.00 -ATOM 1566 C90 BOT B 1 15.350 22.687 6.700 0.00 1.00 -ATOM 1567 C91 BOT B 1 14.122 24.814 0.000 0.00 1.00 -ATOM 1568 C92 BOT B 1 14.122 24.814 3.350 0.00 1.00 -ATOM 1569 C93 BOT B 1 14.122 24.814 6.700 0.00 1.00 -ATOM 1570 C94 BOT B 1 12.894 26.941 0.000 0.00 1.00 -ATOM 1571 C95 BOT B 1 12.894 26.941 3.350 0.00 1.00 -ATOM 1572 C96 BOT B 1 12.894 26.941 6.700 0.00 1.00 -ATOM 1573 C97 BOT B 1 11.666 29.068 0.000 0.00 1.00 -ATOM 1574 C98 BOT B 1 11.666 29.068 3.350 0.00 1.00 -ATOM 1575 C99 BOT B 1 11.666 29.068 6.700 0.00 1.00 -ATOM 1576 C9A BOT B 1 10.438 1.418 0.000 0.00 1.00 -ATOM 1577 C9B BOT B 1 10.438 1.418 3.350 0.00 1.00 -ATOM 1578 C9C BOT B 1 10.438 1.418 6.700 0.00 1.00 -ATOM 1579 C9D BOT B 1 9.210 3.545 0.000 0.00 1.00 -ATOM 1580 C9E BOT B 1 9.210 3.545 3.350 0.00 1.00 -ATOM 1581 C9F BOT B 1 9.210 3.545 6.700 0.00 1.00 -ATOM 1582 C9G BOT B 1 7.982 5.672 0.000 0.00 1.00 -ATOM 1583 C9H BOT B 1 7.982 5.672 3.350 0.00 1.00 -ATOM 1584 C9I BOT B 1 7.982 5.672 6.700 0.00 1.00 -ATOM 1585 C9J BOT B 1 6.754 7.799 0.000 0.00 1.00 -ATOM 1586 C9K BOT B 1 6.754 7.799 3.350 0.00 1.00 -ATOM 1587 C9L BOT B 1 6.754 7.799 6.700 0.00 1.00 -ATOM 1588 C9M BOT B 1 5.526 9.926 0.000 0.00 1.00 -ATOM 1589 C9N BOT B 1 5.526 9.926 3.350 0.00 1.00 -ATOM 1590 C9O BOT B 1 5.526 9.926 6.700 0.00 1.00 -ATOM 1591 C9P BOT B 1 4.298 12.053 0.000 0.00 1.00 -ATOM 1592 C9Q BOT B 1 4.298 12.053 3.350 0.00 1.00 -ATOM 1593 C9R BOT B 1 4.298 12.053 6.700 0.00 1.00 -ATOM 1594 C9S BOT B 1 3.070 14.180 0.000 0.00 1.00 -ATOM 1595 C9T BOT B 1 3.070 14.180 3.350 0.00 1.00 -ATOM 1596 C9U BOT B 1 3.070 14.180 6.700 0.00 1.00 -ATOM 1597 C9V BOT B 1 21.490 16.306 0.000 0.00 1.00 -ATOM 1598 C9W BOT B 1 21.490 16.306 3.350 0.00 1.00 -ATOM 1599 C9X BOT B 1 21.490 16.306 6.700 0.00 1.00 -ATOM 1600 C9Y BOT B 1 20.262 18.433 0.000 0.00 1.00 -ATOM 1601 C9Z BOT B 1 20.262 18.433 3.350 0.00 1.00 -ATOM 1602 C9a BOT B 1 20.262 18.433 6.700 0.00 1.00 -ATOM 1603 C9b BOT B 1 19.034 20.560 0.000 0.00 1.00 -ATOM 1604 C9c BOT B 1 19.034 20.560 3.350 0.00 1.00 -ATOM 1605 C9d BOT B 1 19.034 20.560 6.700 0.00 1.00 -ATOM 1606 C9e BOT B 1 17.806 22.687 0.000 0.00 1.00 -ATOM 1607 C9f BOT B 1 17.806 22.687 3.350 0.00 1.00 -ATOM 1608 C9g BOT B 1 17.806 22.687 6.700 0.00 1.00 -ATOM 1609 C9h BOT B 1 16.578 24.814 0.000 0.00 1.00 -ATOM 1610 C9i BOT B 1 16.578 24.814 3.350 0.00 1.00 -ATOM 1611 C9j BOT B 1 16.578 24.814 6.700 0.00 1.00 -ATOM 1612 C9k BOT B 1 15.350 26.941 0.000 0.00 1.00 -ATOM 1613 C9l BOT B 1 15.350 26.941 3.350 0.00 1.00 -ATOM 1614 C9m BOT B 1 15.350 26.941 6.700 0.00 1.00 -ATOM 1615 C9n BOT B 1 14.122 29.068 0.000 0.00 1.00 -ATOM 1616 C9o BOT B 1 14.122 29.068 3.350 0.00 1.00 -ATOM 1617 C9p BOT B 1 14.122 29.068 6.700 0.00 1.00 -ATOM 1618 C9q BOT B 1 12.894 1.418 0.000 0.00 1.00 -ATOM 1619 C9r BOT B 1 12.894 1.418 3.350 0.00 1.00 -ATOM 1620 C9s BOT B 1 12.894 1.418 6.700 0.00 1.00 -ATOM 1621 C9t BOT B 1 11.666 3.545 0.000 0.00 1.00 -ATOM 1622 C9u BOT B 1 11.666 3.545 3.350 0.00 1.00 -ATOM 1623 C9v BOT B 1 11.666 3.545 6.700 0.00 1.00 -ATOM 1624 C9w BOT B 1 10.438 5.672 0.000 0.00 1.00 -ATOM 1625 C9x BOT B 1 10.438 5.672 3.350 0.00 1.00 -ATOM 1626 C9y BOT B 1 10.438 5.672 6.700 0.00 1.00 -ATOM 1627 C9z BOT B 1 9.210 7.799 0.000 0.00 1.00 -ATOM 1628 CA0 BOT B 1 9.210 7.799 3.350 0.00 1.00 -ATOM 1629 CA1 BOT B 1 9.210 7.799 6.700 0.00 1.00 -ATOM 1630 CA2 BOT B 1 7.982 9.926 0.000 0.00 1.00 -ATOM 1631 CA3 BOT B 1 7.982 9.926 3.350 0.00 1.00 -ATOM 1632 CA4 BOT B 1 7.982 9.926 6.700 0.00 1.00 -ATOM 1633 CA5 BOT B 1 6.754 12.053 0.000 0.00 1.00 -ATOM 1634 CA6 BOT B 1 6.754 12.053 3.350 0.00 1.00 -ATOM 1635 CA7 BOT B 1 6.754 12.053 6.700 0.00 1.00 -ATOM 1636 CA8 BOT B 1 5.526 14.180 0.000 0.00 1.00 -ATOM 1637 CA9 BOT B 1 5.526 14.180 3.350 0.00 1.00 -ATOM 1638 CAA BOT B 1 5.526 14.180 6.700 0.00 1.00 -ATOM 1639 CAB BOT B 1 23.946 16.306 0.000 0.00 1.00 -ATOM 1640 CAC BOT B 1 23.946 16.306 3.350 0.00 1.00 -ATOM 1641 CAD BOT B 1 23.946 16.306 6.700 0.00 1.00 -ATOM 1642 CAE BOT B 1 22.718 18.433 0.000 0.00 1.00 -ATOM 1643 CAF BOT B 1 22.718 18.433 3.350 0.00 1.00 -ATOM 1644 CAG BOT B 1 22.718 18.433 6.700 0.00 1.00 -ATOM 1645 CAH BOT B 1 21.490 20.560 0.000 0.00 1.00 -ATOM 1646 CAI BOT B 1 21.490 20.560 3.350 0.00 1.00 -ATOM 1647 CAJ BOT B 1 21.490 20.560 6.700 0.00 1.00 -ATOM 1648 CAK BOT B 1 20.262 22.687 0.000 0.00 1.00 -ATOM 1649 CAL BOT B 1 20.262 22.687 3.350 0.00 1.00 -ATOM 1650 CAM BOT B 1 20.262 22.687 6.700 0.00 1.00 -ATOM 1651 CAN BOT B 1 19.034 24.814 0.000 0.00 1.00 -ATOM 1652 CAO BOT B 1 19.034 24.814 3.350 0.00 1.00 -ATOM 1653 CAP BOT B 1 19.034 24.814 6.700 0.00 1.00 -ATOM 1654 CAQ BOT B 1 17.806 26.941 0.000 0.00 1.00 -ATOM 1655 CAR BOT B 1 17.806 26.941 3.350 0.00 1.00 -ATOM 1656 CAS BOT B 1 17.806 26.941 6.700 0.00 1.00 -ATOM 1657 CAT BOT B 1 16.578 29.068 0.000 0.00 1.00 -ATOM 1658 CAU BOT B 1 16.578 29.068 3.350 0.00 1.00 -ATOM 1659 CAV BOT B 1 16.578 29.068 6.700 0.00 1.00 -ATOM 1660 CAW BOT B 1 15.350 1.418 0.000 0.00 1.00 -ATOM 1661 CAX BOT B 1 15.350 1.418 3.350 0.00 1.00 -ATOM 1662 CAY BOT B 1 15.350 1.418 6.700 0.00 1.00 -ATOM 1663 CAZ BOT B 1 14.122 3.545 0.000 0.00 1.00 -ATOM 1664 CAa BOT B 1 14.122 3.545 3.350 0.00 1.00 -ATOM 1665 CAb BOT B 1 14.122 3.545 6.700 0.00 1.00 -ATOM 1666 CAc BOT B 1 12.894 5.672 0.000 0.00 1.00 -ATOM 1667 CAd BOT B 1 12.894 5.672 3.350 0.00 1.00 -ATOM 1668 CAe BOT B 1 12.894 5.672 6.700 0.00 1.00 -ATOM 1669 CAf BOT B 1 11.666 7.799 0.000 0.00 1.00 -ATOM 1670 CAg BOT B 1 11.666 7.799 3.350 0.00 1.00 -ATOM 1671 CAh BOT B 1 11.666 7.799 6.700 0.00 1.00 -ATOM 1672 CAi BOT B 1 10.438 9.926 0.000 0.00 1.00 -ATOM 1673 CAj BOT B 1 10.438 9.926 3.350 0.00 1.00 -ATOM 1674 CAk BOT B 1 10.438 9.926 6.700 0.00 1.00 -ATOM 1675 CAl BOT B 1 9.210 12.053 0.000 0.00 1.00 -ATOM 1676 CAm BOT B 1 9.210 12.053 3.350 0.00 1.00 -ATOM 1677 CAn BOT B 1 9.210 12.053 6.700 0.00 1.00 -ATOM 1678 CAo BOT B 1 7.982 14.180 0.000 0.00 1.00 -ATOM 1679 CAp BOT B 1 7.982 14.180 3.350 0.00 1.00 -ATOM 1680 CAq BOT B 1 7.982 14.180 6.700 0.00 1.00 -ATOM 1681 CAr BOT B 1 26.402 16.306 0.000 0.00 1.00 -ATOM 1682 CAs BOT B 1 26.402 16.306 3.350 0.00 1.00 -ATOM 1683 CAt BOT B 1 26.402 16.306 6.700 0.00 1.00 -ATOM 1684 CAu BOT B 1 25.174 18.433 0.000 0.00 1.00 -ATOM 1685 CAv BOT B 1 25.174 18.433 3.350 0.00 1.00 -ATOM 1686 CAw BOT B 1 25.174 18.433 6.700 0.00 1.00 -ATOM 1687 CAx BOT B 1 23.946 20.560 0.000 0.00 1.00 -ATOM 1688 CAy BOT B 1 23.946 20.560 3.350 0.00 1.00 -ATOM 1689 CAz BOT B 1 23.946 20.560 6.700 0.00 1.00 -ATOM 1690 CB0 BOT B 1 22.718 22.687 0.000 0.00 1.00 -ATOM 1691 CB1 BOT B 1 22.718 22.687 3.350 0.00 1.00 -ATOM 1692 CB2 BOT B 1 22.718 22.687 6.700 0.00 1.00 -ATOM 1693 CB3 BOT B 1 21.490 24.814 0.000 0.00 1.00 -ATOM 1694 CB4 BOT B 1 21.490 24.814 3.350 0.00 1.00 -ATOM 1695 CB5 BOT B 1 21.490 24.814 6.700 0.00 1.00 -ATOM 1696 CB6 BOT B 1 20.262 26.941 0.000 0.00 1.00 -ATOM 1697 CB7 BOT B 1 20.262 26.941 3.350 0.00 1.00 -ATOM 1698 CB8 BOT B 1 20.262 26.941 6.700 0.00 1.00 -ATOM 1699 CB9 BOT B 1 19.034 29.068 0.000 0.00 1.00 -ATOM 1700 CBA BOT B 1 19.034 29.068 3.350 0.00 1.00 -ATOM 1701 CBB BOT B 1 19.034 29.068 6.700 0.00 1.00 -ATOM 1702 CBC BOT B 1 17.806 1.418 0.000 0.00 1.00 -ATOM 1703 CBD BOT B 1 17.806 1.418 3.350 0.00 1.00 -ATOM 1704 CBE BOT B 1 17.806 1.418 6.700 0.00 1.00 -ATOM 1705 CBF BOT B 1 16.578 3.545 0.000 0.00 1.00 -ATOM 1706 CBG BOT B 1 16.578 3.545 3.350 0.00 1.00 -ATOM 1707 CBH BOT B 1 16.578 3.545 6.700 0.00 1.00 -ATOM 1708 CBI BOT B 1 15.350 5.672 0.000 0.00 1.00 -ATOM 1709 CBJ BOT B 1 15.350 5.672 3.350 0.00 1.00 -ATOM 1710 CBK BOT B 1 15.350 5.672 6.700 0.00 1.00 -ATOM 1711 CBL BOT B 1 14.122 7.799 0.000 0.00 1.00 -ATOM 1712 CBM BOT B 1 14.122 7.799 3.350 0.00 1.00 -ATOM 1713 CBN BOT B 1 14.122 7.799 6.700 0.00 1.00 -ATOM 1714 CBO BOT B 1 12.894 9.926 0.000 0.00 1.00 -ATOM 1715 CBP BOT B 1 12.894 9.926 3.350 0.00 1.00 -ATOM 1716 CBQ BOT B 1 12.894 9.926 6.700 0.00 1.00 -ATOM 1717 CBR BOT B 1 11.666 12.053 0.000 0.00 1.00 -ATOM 1718 CBS BOT B 1 11.666 12.053 3.350 0.00 1.00 -ATOM 1719 CBT BOT B 1 11.666 12.053 6.700 0.00 1.00 -ATOM 1720 CBU BOT B 1 10.438 14.180 0.000 0.00 1.00 -ATOM 1721 CBV BOT B 1 10.438 14.180 3.350 0.00 1.00 -ATOM 1722 CBW BOT B 1 10.438 14.180 6.700 0.00 1.00 -ATOM 1723 CBX BOT B 1 28.858 16.306 0.000 0.00 1.00 -ATOM 1724 CBY BOT B 1 28.858 16.306 3.350 0.00 1.00 -ATOM 1725 CBZ BOT B 1 28.858 16.306 6.700 0.00 1.00 -ATOM 1726 CBa BOT B 1 27.630 18.433 0.000 0.00 1.00 -ATOM 1727 CBb BOT B 1 27.630 18.433 3.350 0.00 1.00 -ATOM 1728 CBc BOT B 1 27.630 18.433 6.700 0.00 1.00 -ATOM 1729 CBd BOT B 1 26.402 20.560 0.000 0.00 1.00 -ATOM 1730 CBe BOT B 1 26.402 20.560 3.350 0.00 1.00 -ATOM 1731 CBf BOT B 1 26.402 20.560 6.700 0.00 1.00 -ATOM 1732 CBg BOT B 1 25.174 22.687 0.000 0.00 1.00 -ATOM 1733 CBh BOT B 1 25.174 22.687 3.350 0.00 1.00 -ATOM 1734 CBi BOT B 1 25.174 22.687 6.700 0.00 1.00 -ATOM 1735 CBj BOT B 1 23.946 24.814 0.000 0.00 1.00 -ATOM 1736 CBk BOT B 1 23.946 24.814 3.350 0.00 1.00 -ATOM 1737 CBl BOT B 1 23.946 24.814 6.700 0.00 1.00 -ATOM 1738 CBm BOT B 1 22.718 26.941 0.000 0.00 1.00 -ATOM 1739 CBn BOT B 1 22.718 26.941 3.350 0.00 1.00 -ATOM 1740 CBo BOT B 1 22.718 26.941 6.700 0.00 1.00 -ATOM 1741 CBp BOT B 1 21.490 29.068 0.000 0.00 1.00 -ATOM 1742 CBq BOT B 1 21.490 29.068 3.350 0.00 1.00 -ATOM 1743 CBr BOT B 1 21.490 29.068 6.700 0.00 1.00 -ATOM 1744 CBs BOT B 1 20.262 1.418 0.000 0.00 1.00 -ATOM 1745 CBt BOT B 1 20.262 1.418 3.350 0.00 1.00 -ATOM 1746 CBu BOT B 1 20.262 1.418 6.700 0.00 1.00 -ATOM 1747 CBv BOT B 1 19.034 3.545 0.000 0.00 1.00 -ATOM 1748 CBw BOT B 1 19.034 3.545 3.350 0.00 1.00 -ATOM 1749 CBx BOT B 1 19.034 3.545 6.700 0.00 1.00 -ATOM 1750 CBy BOT B 1 17.806 5.672 0.000 0.00 1.00 -ATOM 1751 CBz BOT B 1 17.806 5.672 3.350 0.00 1.00 -ATOM 1752 CC0 BOT B 1 17.806 5.672 6.700 0.00 1.00 -ATOM 1753 CC1 BOT B 1 16.578 7.799 0.000 0.00 1.00 -ATOM 1754 CC2 BOT B 1 16.578 7.799 3.350 0.00 1.00 -ATOM 1755 CC3 BOT B 1 16.578 7.799 6.700 0.00 1.00 -ATOM 1756 CC4 BOT B 1 15.350 9.926 0.000 0.00 1.00 -ATOM 1757 CC5 BOT B 1 15.350 9.926 3.350 0.00 1.00 -ATOM 1758 CC6 BOT B 1 15.350 9.926 6.700 0.00 1.00 -ATOM 1759 CC7 BOT B 1 14.122 12.053 0.000 0.00 1.00 -ATOM 1760 CC8 BOT B 1 14.122 12.053 3.350 0.00 1.00 -ATOM 1761 CC9 BOT B 1 14.122 12.053 6.700 0.00 1.00 -ATOM 1762 CCA BOT B 1 12.894 14.180 0.000 0.00 1.00 -ATOM 1763 CCB BOT B 1 12.894 14.180 3.350 0.00 1.00 -ATOM 1764 CCC BOT B 1 12.894 14.180 6.700 0.00 1.00 -ATOM 1765 CCD BOT B 1 1.842 16.306 0.000 0.00 1.00 -ATOM 1766 CCE BOT B 1 1.842 16.306 3.350 0.00 1.00 -ATOM 1767 CCF BOT B 1 1.842 16.306 6.700 0.00 1.00 -ATOM 1768 CCG BOT B 1 0.614 18.433 0.000 0.00 1.00 -ATOM 1769 CCH BOT B 1 0.614 18.433 3.350 0.00 1.00 -ATOM 1770 CCI BOT B 1 0.614 18.433 6.700 0.00 1.00 -ATOM 1771 CCJ BOT B 1 28.858 20.560 0.000 0.00 1.00 -ATOM 1772 CCK BOT B 1 28.858 20.560 3.350 0.00 1.00 -ATOM 1773 CCL BOT B 1 28.858 20.560 6.700 0.00 1.00 -ATOM 1774 CCM BOT B 1 27.630 22.687 0.000 0.00 1.00 -ATOM 1775 CCN BOT B 1 27.630 22.687 3.350 0.00 1.00 -ATOM 1776 CCO BOT B 1 27.630 22.687 6.700 0.00 1.00 -ATOM 1777 CCP BOT B 1 26.402 24.814 0.000 0.00 1.00 -ATOM 1778 CCQ BOT B 1 26.402 24.814 3.350 0.00 1.00 -ATOM 1779 CCR BOT B 1 26.402 24.814 6.700 0.00 1.00 -ATOM 1780 CCS BOT B 1 25.174 26.941 0.000 0.00 1.00 -ATOM 1781 CCT BOT B 1 25.174 26.941 3.350 0.00 1.00 -ATOM 1782 CCU BOT B 1 25.174 26.941 6.700 0.00 1.00 -ATOM 1783 CCV BOT B 1 23.946 29.068 0.000 0.00 1.00 -ATOM 1784 CCW BOT B 1 23.946 29.068 3.350 0.00 1.00 -ATOM 1785 CCX BOT B 1 23.946 29.068 6.700 0.00 1.00 -ATOM 1786 CCY BOT B 1 22.718 1.418 0.000 0.00 1.00 -ATOM 1787 CCZ BOT B 1 22.718 1.418 3.350 0.00 1.00 -ATOM 1788 CCa BOT B 1 22.718 1.418 6.700 0.00 1.00 -ATOM 1789 CCb BOT B 1 21.490 3.545 0.000 0.00 1.00 -ATOM 1790 CCc BOT B 1 21.490 3.545 3.350 0.00 1.00 -ATOM 1791 CCd BOT B 1 21.490 3.545 6.700 0.00 1.00 -ATOM 1792 CCe BOT B 1 20.262 5.672 0.000 0.00 1.00 -ATOM 1793 CCf BOT B 1 20.262 5.672 3.350 0.00 1.00 -ATOM 1794 CCg BOT B 1 20.262 5.672 6.700 0.00 1.00 -ATOM 1795 CCh BOT B 1 19.034 7.799 0.000 0.00 1.00 -ATOM 1796 CCi BOT B 1 19.034 7.799 3.350 0.00 1.00 -ATOM 1797 CCj BOT B 1 19.034 7.799 6.700 0.00 1.00 -ATOM 1798 CCk BOT B 1 17.806 9.926 0.000 0.00 1.00 -ATOM 1799 CCl BOT B 1 17.806 9.926 3.350 0.00 1.00 -ATOM 1800 CCm BOT B 1 17.806 9.926 6.700 0.00 1.00 -ATOM 1801 CCn BOT B 1 16.578 12.053 0.000 0.00 1.00 -ATOM 1802 CCo BOT B 1 16.578 12.053 3.350 0.00 1.00 -ATOM 1803 CCp BOT B 1 16.578 12.053 6.700 0.00 1.00 -ATOM 1804 CCq BOT B 1 15.350 14.180 0.000 0.00 1.00 -ATOM 1805 CCr BOT B 1 15.350 14.180 3.350 0.00 1.00 -ATOM 1806 CCs BOT B 1 15.350 14.180 6.700 0.00 1.00 -ATOM 1807 CCt BOT B 1 4.298 16.306 0.000 0.00 1.00 -ATOM 1808 CCu BOT B 1 4.298 16.306 3.350 0.00 1.00 -ATOM 1809 CCv BOT B 1 4.298 16.306 6.700 0.00 1.00 -ATOM 1810 CCw BOT B 1 3.070 18.433 0.000 0.00 1.00 -ATOM 1811 CCx BOT B 1 3.070 18.433 3.350 0.00 1.00 -ATOM 1812 CCy BOT B 1 3.070 18.433 6.700 0.00 1.00 -ATOM 1813 CCz BOT B 1 1.842 20.560 0.000 0.00 1.00 -ATOM 1814 CD0 BOT B 1 1.842 20.560 3.350 0.00 1.00 -ATOM 1815 CD1 BOT B 1 1.842 20.560 6.700 0.00 1.00 -ATOM 1816 CD2 BOT B 1 0.614 22.687 0.000 0.00 1.00 -ATOM 1817 CD3 BOT B 1 0.614 22.687 3.350 0.00 1.00 -ATOM 1818 CD4 BOT B 1 0.614 22.687 6.700 0.00 1.00 -ATOM 1819 CD5 BOT B 1 28.858 24.814 0.000 0.00 1.00 -ATOM 1820 CD6 BOT B 1 28.858 24.814 3.350 0.00 1.00 -ATOM 1821 CD7 BOT B 1 28.858 24.814 6.700 0.00 1.00 -ATOM 1822 CD8 BOT B 1 27.630 26.941 0.000 0.00 1.00 -ATOM 1823 CD9 BOT B 1 27.630 26.941 3.350 0.00 1.00 -ATOM 1824 CDA BOT B 1 27.630 26.941 6.700 0.00 1.00 -ATOM 1825 CDB BOT B 1 26.402 29.068 0.000 0.00 1.00 -ATOM 1826 CDC BOT B 1 26.402 29.068 3.350 0.00 1.00 -ATOM 1827 CDD BOT B 1 26.402 29.068 6.700 0.00 1.00 -ATOM 1828 CDE BOT B 1 25.174 1.418 0.000 0.00 1.00 -ATOM 1829 CDF BOT B 1 25.174 1.418 3.350 0.00 1.00 -ATOM 1830 CDG BOT B 1 25.174 1.418 6.700 0.00 1.00 -ATOM 1831 CDH BOT B 1 23.946 3.545 0.000 0.00 1.00 -ATOM 1832 CDI BOT B 1 23.946 3.545 3.350 0.00 1.00 -ATOM 1833 CDJ BOT B 1 23.946 3.545 6.700 0.00 1.00 -ATOM 1834 CDK BOT B 1 22.718 5.672 0.000 0.00 1.00 -ATOM 1835 CDL BOT B 1 22.718 5.672 3.350 0.00 1.00 -ATOM 1836 CDM BOT B 1 22.718 5.672 6.700 0.00 1.00 -ATOM 1837 CDN BOT B 1 21.490 7.799 0.000 0.00 1.00 -ATOM 1838 CDO BOT B 1 21.490 7.799 3.350 0.00 1.00 -ATOM 1839 CDP BOT B 1 21.490 7.799 6.700 0.00 1.00 -ATOM 1840 CDQ BOT B 1 20.262 9.926 0.000 0.00 1.00 -ATOM 1841 CDR BOT B 1 20.262 9.926 3.350 0.00 1.00 -ATOM 1842 CDS BOT B 1 20.262 9.926 6.700 0.00 1.00 -ATOM 1843 CDT BOT B 1 19.034 12.053 0.000 0.00 1.00 -ATOM 1844 CDU BOT B 1 19.034 12.053 3.350 0.00 1.00 -ATOM 1845 CDV BOT B 1 19.034 12.053 6.700 0.00 1.00 -ATOM 1846 CDW BOT B 1 17.806 14.180 0.000 0.00 1.00 -ATOM 1847 CDX BOT B 1 17.806 14.180 3.350 0.00 1.00 -ATOM 1848 CDY BOT B 1 17.806 14.180 6.700 0.00 1.00 -ATOM 1849 CDZ BOT B 1 6.754 16.306 0.000 0.00 1.00 -ATOM 1850 CDa BOT B 1 6.754 16.306 3.350 0.00 1.00 -ATOM 1851 CDb BOT B 1 6.754 16.306 6.700 0.00 1.00 -ATOM 1852 CDc BOT B 1 5.526 18.433 0.000 0.00 1.00 -ATOM 1853 CDd BOT B 1 5.526 18.433 3.350 0.00 1.00 -ATOM 1854 CDe BOT B 1 5.526 18.433 6.700 0.00 1.00 -ATOM 1855 CDf BOT B 1 4.298 20.560 0.000 0.00 1.00 -ATOM 1856 CDg BOT B 1 4.298 20.560 3.350 0.00 1.00 -ATOM 1857 CDh BOT B 1 4.298 20.560 6.700 0.00 1.00 -ATOM 1858 CDi BOT B 1 3.070 22.687 0.000 0.00 1.00 -ATOM 1859 CDj BOT B 1 3.070 22.687 3.350 0.00 1.00 -ATOM 1860 CDk BOT B 1 3.070 22.687 6.700 0.00 1.00 -ATOM 1861 CDl BOT B 1 1.842 24.814 0.000 0.00 1.00 -ATOM 1862 CDm BOT B 1 1.842 24.814 3.350 0.00 1.00 -ATOM 1863 CDn BOT B 1 1.842 24.814 6.700 0.00 1.00 -ATOM 1864 CDo BOT B 1 0.614 26.941 0.000 0.00 1.00 -ATOM 1865 CDp BOT B 1 0.614 26.941 3.350 0.00 1.00 -ATOM 1866 CDq BOT B 1 0.614 26.941 6.700 0.00 1.00 -ATOM 1867 CDr BOT B 1 28.858 29.068 0.000 0.00 1.00 -ATOM 1868 CDs BOT B 1 28.858 29.068 3.350 0.00 1.00 -ATOM 1869 CDt BOT B 1 28.858 29.068 6.700 0.00 1.00 -ATOM 1870 CDu BOT B 1 27.630 1.418 0.000 0.00 1.00 -ATOM 1871 CDv BOT B 1 27.630 1.418 3.350 0.00 1.00 -ATOM 1872 CDw BOT B 1 27.630 1.418 6.700 0.00 1.00 -ATOM 1873 CDx BOT B 1 26.402 3.545 0.000 0.00 1.00 -ATOM 1874 CDy BOT B 1 26.402 3.545 3.350 0.00 1.00 -ATOM 1875 CDz BOT B 1 26.402 3.545 6.700 0.00 1.00 -ATOM 1876 CE0 BOT B 1 25.174 5.672 0.000 0.00 1.00 -ATOM 1877 CE1 BOT B 1 25.174 5.672 3.350 0.00 1.00 -ATOM 1878 CE2 BOT B 1 25.174 5.672 6.700 0.00 1.00 -ATOM 1879 CE3 BOT B 1 23.946 7.799 0.000 0.00 1.00 -ATOM 1880 CE4 BOT B 1 23.946 7.799 3.350 0.00 1.00 -ATOM 1881 CE5 BOT B 1 23.946 7.799 6.700 0.00 1.00 -ATOM 1882 CE6 BOT B 1 22.718 9.926 0.000 0.00 1.00 -ATOM 1883 CE7 BOT B 1 22.718 9.926 3.350 0.00 1.00 -ATOM 1884 CE8 BOT B 1 22.718 9.926 6.700 0.00 1.00 -ATOM 1885 CE9 BOT B 1 21.490 12.053 0.000 0.00 1.00 -ATOM 1886 CEA BOT B 1 21.490 12.053 3.350 0.00 1.00 -ATOM 1887 CEB BOT B 1 21.490 12.053 6.700 0.00 1.00 -ATOM 1888 CEC BOT B 1 20.262 14.180 0.000 0.00 1.00 -ATOM 1889 CED BOT B 1 20.262 14.180 3.350 0.00 1.00 -ATOM 1890 CEE BOT B 1 20.262 14.180 6.700 0.00 1.00 -ATOM 1891 CEF BOT B 1 9.210 16.306 0.000 0.00 1.00 -ATOM 1892 CEG BOT B 1 9.210 16.306 3.350 0.00 1.00 -ATOM 1893 CEH BOT B 1 9.210 16.306 6.700 0.00 1.00 -ATOM 1894 CEI BOT B 1 7.982 18.433 0.000 0.00 1.00 -ATOM 1895 CEJ BOT B 1 7.982 18.433 3.350 0.00 1.00 -ATOM 1896 CEK BOT B 1 7.982 18.433 6.700 0.00 1.00 -ATOM 1897 CEL BOT B 1 6.754 20.560 0.000 0.00 1.00 -ATOM 1898 CEM BOT B 1 6.754 20.560 3.350 0.00 1.00 -ATOM 1899 CEN BOT B 1 6.754 20.560 6.700 0.00 1.00 -ATOM 1900 CEO BOT B 1 5.526 22.687 0.000 0.00 1.00 -ATOM 1901 CEP BOT B 1 5.526 22.687 3.350 0.00 1.00 -ATOM 1902 CEQ BOT B 1 5.526 22.687 6.700 0.00 1.00 -ATOM 1903 CER BOT B 1 4.298 24.814 0.000 0.00 1.00 -ATOM 1904 CES BOT B 1 4.298 24.814 3.350 0.00 1.00 -ATOM 1905 CET BOT B 1 4.298 24.814 6.700 0.00 1.00 -ATOM 1906 CEU BOT B 1 3.070 26.941 0.000 0.00 1.00 -ATOM 1907 CEV BOT B 1 3.070 26.941 3.350 0.00 1.00 -ATOM 1908 CEW BOT B 1 3.070 26.941 6.700 0.00 1.00 -ATOM 1909 CEX BOT B 1 1.842 29.068 0.000 0.00 1.00 -ATOM 1910 CEY BOT B 1 1.842 29.068 3.350 0.00 1.00 -ATOM 1911 CEZ BOT B 1 1.842 29.068 6.700 0.00 1.00 -ATOM 1912 CEa BOT B 1 0.614 1.418 0.000 0.00 1.00 -ATOM 1913 CEb BOT B 1 0.614 1.418 3.350 0.00 1.00 -ATOM 1914 CEc BOT B 1 0.614 1.418 6.700 0.00 1.00 -ATOM 1915 CEd BOT B 1 28.858 3.545 0.000 0.00 1.00 -ATOM 1916 CEe BOT B 1 28.858 3.545 3.350 0.00 1.00 -ATOM 1917 CEf BOT B 1 28.858 3.545 6.700 0.00 1.00 -ATOM 1918 CEg BOT B 1 27.630 5.672 0.000 0.00 1.00 -ATOM 1919 CEh BOT B 1 27.630 5.672 3.350 0.00 1.00 -ATOM 1920 CEi BOT B 1 27.630 5.672 6.700 0.00 1.00 -ATOM 1921 CEj BOT B 1 26.402 7.799 0.000 0.00 1.00 -ATOM 1922 CEk BOT B 1 26.402 7.799 3.350 0.00 1.00 -ATOM 1923 CEl BOT B 1 26.402 7.799 6.700 0.00 1.00 -ATOM 1924 CEm BOT B 1 25.174 9.926 0.000 0.00 1.00 -ATOM 1925 CEn BOT B 1 25.174 9.926 3.350 0.00 1.00 -ATOM 1926 CEo BOT B 1 25.174 9.926 6.700 0.00 1.00 -ATOM 1927 CEp BOT B 1 23.946 12.053 0.000 0.00 1.00 -ATOM 1928 CEq BOT B 1 23.946 12.053 3.350 0.00 1.00 -ATOM 1929 CEr BOT B 1 23.946 12.053 6.700 0.00 1.00 -ATOM 1930 CEs BOT B 1 22.718 14.180 0.000 0.00 1.00 -ATOM 1931 CEt BOT B 1 22.718 14.180 3.350 0.00 1.00 -ATOM 1932 CEu BOT B 1 22.718 14.180 6.700 0.00 1.00 -ATOM 1933 CEv BOT B 1 11.666 16.306 0.000 0.00 1.00 -ATOM 1934 CEw BOT B 1 11.666 16.306 3.350 0.00 1.00 -ATOM 1935 CEx BOT B 1 11.666 16.306 6.700 0.00 1.00 -ATOM 1936 CEy BOT B 1 10.438 18.433 0.000 0.00 1.00 -ATOM 1937 CEz BOT B 1 10.438 18.433 3.350 0.00 1.00 -ATOM 1938 CF0 BOT B 1 10.438 18.433 6.700 0.00 1.00 -ATOM 1939 CF1 BOT B 1 9.210 20.560 0.000 0.00 1.00 -ATOM 1940 CF2 BOT B 1 9.210 20.560 3.350 0.00 1.00 -ATOM 1941 CF3 BOT B 1 9.210 20.560 6.700 0.00 1.00 -ATOM 1942 CF4 BOT B 1 7.982 22.687 0.000 0.00 1.00 -ATOM 1943 CF5 BOT B 1 7.982 22.687 3.350 0.00 1.00 -ATOM 1944 CF6 BOT B 1 7.982 22.687 6.700 0.00 1.00 -ATOM 1945 CF7 BOT B 1 6.754 24.814 0.000 0.00 1.00 -ATOM 1946 CF8 BOT B 1 6.754 24.814 3.350 0.00 1.00 -ATOM 1947 CF9 BOT B 1 6.754 24.814 6.700 0.00 1.00 -ATOM 1948 CFA BOT B 1 5.526 26.941 0.000 0.00 1.00 -ATOM 1949 CFB BOT B 1 5.526 26.941 3.350 0.00 1.00 -ATOM 1950 CFC BOT B 1 5.526 26.941 6.700 0.00 1.00 -ATOM 1951 CFD BOT B 1 4.298 29.068 0.000 0.00 1.00 -ATOM 1952 CFE BOT B 1 4.298 29.068 3.350 0.00 1.00 -ATOM 1953 CFF BOT B 1 4.298 29.068 6.700 0.00 1.00 -ATOM 1954 CFG BOT B 1 3.070 1.418 0.000 0.00 1.00 -ATOM 1955 CFH BOT B 1 3.070 1.418 3.350 0.00 1.00 -ATOM 1956 CFI BOT B 1 3.070 1.418 6.700 0.00 1.00 -ATOM 1957 CFJ BOT B 1 1.842 3.545 0.000 0.00 1.00 -ATOM 1958 CFK BOT B 1 1.842 3.545 3.350 0.00 1.00 -ATOM 1959 CFL BOT B 1 1.842 3.545 6.700 0.00 1.00 -ATOM 1960 CFM BOT B 1 0.614 5.672 0.000 0.00 1.00 -ATOM 1961 CFN BOT B 1 0.614 5.672 3.350 0.00 1.00 -ATOM 1962 CFO BOT B 1 0.614 5.672 6.700 0.00 1.00 -ATOM 1963 CFP BOT B 1 28.858 7.799 0.000 0.00 1.00 -ATOM 1964 CFQ BOT B 1 28.858 7.799 3.350 0.00 1.00 -ATOM 1965 CFR BOT B 1 28.858 7.799 6.700 0.00 1.00 -ATOM 1966 CFS BOT B 1 27.630 9.926 0.000 0.00 1.00 -ATOM 1967 CFT BOT B 1 27.630 9.926 3.350 0.00 1.00 -ATOM 1968 CFU BOT B 1 27.630 9.926 6.700 0.00 1.00 -ATOM 1969 CFV BOT B 1 26.402 12.053 0.000 0.00 1.00 -ATOM 1970 CFW BOT B 1 26.402 12.053 3.350 0.00 1.00 -ATOM 1971 CFX BOT B 1 26.402 12.053 6.700 0.00 1.00 -ATOM 1972 CFY BOT B 1 25.174 14.180 0.000 0.00 1.00 -ATOM 1973 CFZ BOT B 1 25.174 14.180 3.350 0.00 1.00 -ATOM 1974 CFa BOT B 1 25.174 14.180 6.700 0.00 1.00 -ATOM 1975 CFb BOT B 1 14.122 16.306 0.000 0.00 1.00 -ATOM 1976 CFc BOT B 1 14.122 16.306 3.350 0.00 1.00 -ATOM 1977 CFd BOT B 1 14.122 16.306 6.700 0.00 1.00 -ATOM 1978 CFe BOT B 1 12.894 18.433 0.000 0.00 1.00 -ATOM 1979 CFf BOT B 1 12.894 18.433 3.350 0.00 1.00 -ATOM 1980 CFg BOT B 1 12.894 18.433 6.700 0.00 1.00 -ATOM 1981 CFh BOT B 1 11.666 20.560 0.000 0.00 1.00 -ATOM 1982 CFi BOT B 1 11.666 20.560 3.350 0.00 1.00 -ATOM 1983 CFj BOT B 1 11.666 20.560 6.700 0.00 1.00 -ATOM 1984 CFk BOT B 1 10.438 22.687 0.000 0.00 1.00 -ATOM 1985 CFl BOT B 1 10.438 22.687 3.350 0.00 1.00 -ATOM 1986 CFm BOT B 1 10.438 22.687 6.700 0.00 1.00 -ATOM 1987 CFn BOT B 1 9.210 24.814 0.000 0.00 1.00 -ATOM 1988 CFo BOT B 1 9.210 24.814 3.350 0.00 1.00 -ATOM 1989 CFp BOT B 1 9.210 24.814 6.700 0.00 1.00 -ATOM 1990 CFq BOT B 1 7.982 26.941 0.000 0.00 1.00 -ATOM 1991 CFr BOT B 1 7.982 26.941 3.350 0.00 1.00 -ATOM 1992 CFs BOT B 1 7.982 26.941 6.700 0.00 1.00 -ATOM 1993 CFt BOT B 1 6.754 29.068 0.000 0.00 1.00 -ATOM 1994 CFu BOT B 1 6.754 29.068 3.350 0.00 1.00 -ATOM 1995 CFv BOT B 1 6.754 29.068 6.700 0.00 1.00 -ATOM 1996 CFw BOT B 1 5.526 1.418 0.000 0.00 1.00 -ATOM 1997 CFx BOT B 1 5.526 1.418 3.350 0.00 1.00 -ATOM 1998 CFy BOT B 1 5.526 1.418 6.700 0.00 1.00 -ATOM 1999 CFz BOT B 1 4.298 3.545 0.000 0.00 1.00 -ATOM 2000 CG0 BOT B 1 4.298 3.545 3.350 0.00 1.00 -ATOM 2001 CG1 BOT B 1 4.298 3.545 6.700 0.00 1.00 -ATOM 2002 CG2 BOT B 1 3.070 5.672 0.000 0.00 1.00 -ATOM 2003 CG3 BOT B 1 3.070 5.672 3.350 0.00 1.00 -ATOM 2004 CG4 BOT B 1 3.070 5.672 6.700 0.00 1.00 -ATOM 2005 CG5 BOT B 1 1.842 7.799 0.000 0.00 1.00 -ATOM 2006 CG6 BOT B 1 1.842 7.799 3.350 0.00 1.00 -ATOM 2007 CG7 BOT B 1 1.842 7.799 6.700 0.00 1.00 -ATOM 2008 CG8 BOT B 1 0.614 9.926 0.000 0.00 1.00 -ATOM 2009 CG9 BOT B 1 0.614 9.926 3.350 0.00 1.00 -ATOM 2010 CGA BOT B 1 0.614 9.926 6.700 0.00 1.00 -ATOM 2011 CGB BOT B 1 28.858 12.053 0.000 0.00 1.00 -ATOM 2012 CGC BOT B 1 28.858 12.053 3.350 0.00 1.00 -ATOM 2013 CGD BOT B 1 28.858 12.053 6.700 0.00 1.00 -ATOM 2014 CGE BOT B 1 27.630 14.180 0.000 0.00 1.00 -ATOM 2015 CGF BOT B 1 27.630 14.180 3.350 0.00 1.00 -ATOM 2016 CGG BOT B 1 27.630 14.180 6.700 0.00 1.00 -ATOM 2017 O1 H2O C 1 27.550 15.522 26.422 0.00 0.00 -ATOM 2018 H1 H2O C 1 27.099 15.991 25.662 0.00 0.00 -ATOM 2019 H2 H2O C 1 28.510 15.797 26.462 0.00 0.00 -ATOM 2020 O1 H2O C 2 28.670 17.721 33.119 0.00 0.00 -ATOM 2021 H1 H2O C 2 27.752 18.063 33.323 0.00 0.00 -ATOM 2022 H2 H2O C 2 29.237 18.472 32.781 0.00 0.00 -ATOM 2023 O1 H2O C 3 24.050 2.454 33.949 0.00 0.00 -ATOM 2024 H1 H2O C 3 23.437 3.243 33.999 0.00 0.00 -ATOM 2025 H2 H2O C 3 23.509 1.617 33.875 0.00 0.00 -ATOM 2026 O1 H2O C 4 1.866 1.207 23.681 0.00 0.00 -ATOM 2027 H1 H2O C 4 1.364 0.379 23.432 0.00 0.00 -ATOM 2028 H2 H2O C 4 1.386 1.679 24.421 0.00 0.00 -ATOM 2029 O1 H2O C 5 28.209 11.394 20.502 0.00 0.00 -ATOM 2030 H1 H2O C 5 27.533 11.563 21.219 0.00 0.00 -ATOM 2031 H2 H2O C 5 28.199 10.425 20.257 0.00 0.00 -ATOM 2032 O1 H2O C 6 19.645 5.369 24.520 0.00 0.00 -ATOM 2033 H1 H2O C 6 20.459 5.877 24.240 0.00 0.00 -ATOM 2034 H2 H2O C 6 19.278 4.868 23.736 0.00 0.00 -ATOM 2035 O1 H2O C 7 6.645 5.240 33.363 0.00 0.00 -ATOM 2036 H1 H2O C 7 5.966 5.318 34.093 0.00 0.00 -ATOM 2037 H2 H2O C 7 6.718 4.285 33.075 0.00 0.00 -ATOM 2038 O1 H2O C 8 13.450 2.404 33.083 0.00 0.00 -ATOM 2039 H1 H2O C 8 12.563 2.738 33.403 0.00 0.00 -ATOM 2040 H2 H2O C 8 14.174 3.008 33.415 0.00 0.00 -ATOM 2041 O1 H2O C 9 9.245 26.963 19.748 0.00 0.00 -ATOM 2042 H1 H2O C 9 10.103 26.734 19.287 0.00 0.00 -ATOM 2043 H2 H2O C 9 8.745 26.123 19.960 0.00 0.00 -ATOM 2044 O1 H2O C 10 16.656 10.739 21.773 0.00 0.00 -ATOM 2045 H1 H2O C 10 15.861 10.641 21.175 0.00 0.00 -ATOM 2046 H2 H2O C 10 17.175 9.884 21.780 0.00 0.00 -ATOM 2047 O1 H2O C 11 23.545 21.510 29.397 0.00 0.00 -ATOM 2048 H1 H2O C 11 24.158 22.085 28.856 0.00 0.00 -ATOM 2049 H2 H2O C 11 22.819 22.074 29.791 0.00 0.00 -ATOM 2050 O1 H2O C 12 4.201 21.649 32.909 0.00 0.00 -ATOM 2051 H1 H2O C 12 4.371 20.668 32.819 0.00 0.00 -ATOM 2052 H2 H2O C 12 3.216 21.812 32.974 0.00 0.00 -ATOM 2053 O1 H2O C 13 0.539 12.899 21.552 0.00 0.00 -ATOM 2054 H1 H2O C 13 -0.100 12.239 21.157 0.00 0.00 -ATOM 2055 H2 H2O C 13 0.085 13.404 22.286 0.00 0.00 -ATOM 2056 O1 H2O C 14 9.631 23.313 27.781 0.00 0.00 -ATOM 2057 H1 H2O C 14 8.977 23.666 28.449 0.00 0.00 -ATOM 2058 H2 H2O C 14 9.153 22.733 27.121 0.00 0.00 -ATOM 2059 O1 H2O C 15 16.304 27.291 32.813 0.00 0.00 -ATOM 2060 H1 H2O C 15 16.342 27.464 31.828 0.00 0.00 -ATOM 2061 H2 H2O C 15 15.494 26.742 33.023 0.00 0.00 -ATOM 2062 O1 H2O C 16 10.395 26.648 26.756 0.00 0.00 -ATOM 2063 H1 H2O C 16 10.733 27.494 27.169 0.00 0.00 -ATOM 2064 H2 H2O C 16 9.423 26.540 26.967 0.00 0.00 -ATOM 2065 O1 H2O C 17 4.209 26.797 29.784 0.00 0.00 -ATOM 2066 H1 H2O C 17 3.958 26.914 28.823 0.00 0.00 -ATOM 2067 H2 H2O C 17 4.760 25.969 29.887 0.00 0.00 -ATOM 2068 O1 H2O C 18 10.656 8.609 19.731 0.00 0.00 -ATOM 2069 H1 H2O C 18 11.448 8.361 19.173 0.00 0.00 -ATOM 2070 H2 H2O C 18 10.573 7.968 20.494 0.00 0.00 -ATOM 2071 O1 H2O C 19 14.064 4.559 29.740 0.00 0.00 -ATOM 2072 H1 H2O C 19 15.029 4.454 29.982 0.00 0.00 -ATOM 2073 H2 H2O C 19 13.987 4.801 28.773 0.00 0.00 -ATOM 2074 O1 H2O C 20 7.950 28.902 29.994 0.00 0.00 -ATOM 2075 H1 H2O C 20 7.072 28.976 30.467 0.00 0.00 -ATOM 2076 H2 H2O C 20 8.343 29.814 29.876 0.00 0.00 -ATOM 2077 O1 H2O C 21 20.519 9.207 23.162 0.00 0.00 -ATOM 2078 H1 H2O C 21 19.755 9.790 22.887 0.00 0.00 -ATOM 2079 H2 H2O C 21 21.363 9.545 22.746 0.00 0.00 -ATOM 2080 O1 H2O C 22 2.622 15.295 19.859 0.00 0.00 -ATOM 2081 H1 H2O C 22 2.409 14.398 19.471 0.00 0.00 -ATOM 2082 H2 H2O C 22 3.611 15.440 19.840 0.00 0.00 -ATOM 2083 O1 H2O C 23 11.034 13.305 23.595 0.00 0.00 -ATOM 2084 H1 H2O C 23 10.519 13.056 24.415 0.00 0.00 -ATOM 2085 H2 H2O C 23 11.214 14.288 23.600 0.00 0.00 -ATOM 2086 O1 H2O C 24 18.854 28.209 22.131 0.00 0.00 -ATOM 2087 H1 H2O C 24 18.115 27.732 21.656 0.00 0.00 -ATOM 2088 H2 H2O C 24 19.544 27.547 22.424 0.00 0.00 -ATOM 2089 O1 H2O C 25 27.513 -0.215 33.630 0.00 0.00 -ATOM 2090 H1 H2O C 25 26.687 -0.548 33.176 0.00 0.00 -ATOM 2091 H2 H2O C 25 27.447 0.774 33.760 0.00 0.00 -ATOM 2092 O1 H2O C 26 21.807 0.254 33.220 0.00 0.00 -ATOM 2093 H1 H2O C 26 21.714 -0.578 33.766 0.00 0.00 -ATOM 2094 H2 H2O C 26 21.079 0.895 33.462 0.00 0.00 -ATOM 2095 O1 H2O C 27 6.891 28.734 23.184 0.00 0.00 -ATOM 2096 H1 H2O C 27 7.199 28.397 22.295 0.00 0.00 -ATOM 2097 H2 H2O C 27 6.470 27.986 23.696 0.00 0.00 -ATOM 2098 O1 H2O C 28 19.465 6.642 21.166 0.00 0.00 -ATOM 2099 H1 H2O C 28 19.490 5.756 20.703 0.00 0.00 -ATOM 2100 H2 H2O C 28 20.280 7.168 20.923 0.00 0.00 -ATOM 2101 O1 H2O C 29 11.986 27.384 30.244 0.00 0.00 -ATOM 2102 H1 H2O C 29 11.776 28.122 29.603 0.00 0.00 -ATOM 2103 H2 H2O C 29 11.181 27.191 30.806 0.00 0.00 -ATOM 2104 O1 H2O C 30 23.168 5.888 28.588 0.00 0.00 -ATOM 2105 H1 H2O C 30 22.917 5.102 29.152 0.00 0.00 -ATOM 2106 H2 H2O C 30 23.174 5.618 27.625 0.00 0.00 -ATOM 2107 O1 H2O C 31 14.360 7.979 32.844 0.00 0.00 -ATOM 2108 H1 H2O C 31 13.844 8.075 31.993 0.00 0.00 -ATOM 2109 H2 H2O C 31 14.696 8.875 33.134 0.00 0.00 -ATOM 2110 O1 H2O C 32 0.809 3.539 33.831 0.00 0.00 -ATOM 2111 H1 H2O C 32 1.765 3.687 34.083 0.00 0.00 -ATOM 2112 H2 H2O C 32 0.639 2.559 33.731 0.00 0.00 -ATOM 2113 O1 H2O C 33 27.540 1.797 31.145 0.00 0.00 -ATOM 2114 H1 H2O C 33 27.295 2.027 32.087 0.00 0.00 -ATOM 2115 H2 H2O C 33 28.168 2.487 30.786 0.00 0.00 -ATOM 2116 O1 H2O C 34 12.785 13.072 31.010 0.00 0.00 -ATOM 2117 H1 H2O C 34 12.152 12.810 31.738 0.00 0.00 -ATOM 2118 H2 H2O C 34 13.280 13.898 31.279 0.00 0.00 -ATOM 2119 O1 H2O C 35 12.316 12.343 27.433 0.00 0.00 -ATOM 2120 H1 H2O C 35 13.109 12.874 27.729 0.00 0.00 -ATOM 2121 H2 H2O C 35 12.624 11.522 26.952 0.00 0.00 -ATOM 2122 O1 H2O C 36 21.969 11.236 31.482 0.00 0.00 -ATOM 2123 H1 H2O C 36 21.492 10.942 30.653 0.00 0.00 -ATOM 2124 H2 H2O C 36 21.387 11.070 32.278 0.00 0.00 -ATOM 2125 O1 H2O C 37 13.428 20.737 31.156 0.00 0.00 -ATOM 2126 H1 H2O C 37 13.191 21.364 30.414 0.00 0.00 -ATOM 2127 H2 H2O C 37 12.767 20.837 31.900 0.00 0.00 -ATOM 2128 O1 H2O C 38 5.813 24.473 30.187 0.00 0.00 -ATOM 2129 H1 H2O C 38 5.184 23.730 30.416 0.00 0.00 -ATOM 2130 H2 H2O C 38 6.461 24.604 30.936 0.00 0.00 -ATOM 2131 O1 H2O C 39 23.831 7.115 32.375 0.00 0.00 -ATOM 2132 H1 H2O C 39 23.971 6.470 31.624 0.00 0.00 -ATOM 2133 H2 H2O C 39 23.948 8.049 32.039 0.00 0.00 -ATOM 2134 O1 H2O C 40 8.160 25.124 29.028 0.00 0.00 -ATOM 2135 H1 H2O C 40 8.295 25.914 28.430 0.00 0.00 -ATOM 2136 H2 H2O C 40 7.183 24.924 29.100 0.00 0.00 -ATOM 2137 O1 H2O C 41 27.934 27.309 25.583 0.00 0.00 -ATOM 2138 H1 H2O C 41 28.660 26.816 25.103 0.00 0.00 -ATOM 2139 H2 H2O C 41 27.241 26.660 25.897 0.00 0.00 -ATOM 2140 O1 H2O C 42 22.653 17.901 25.108 0.00 0.00 -ATOM 2141 H1 H2O C 42 23.042 18.679 25.602 0.00 0.00 -ATOM 2142 H2 H2O C 42 22.542 18.141 24.144 0.00 0.00 -ATOM 2143 O1 H2O C 43 11.726 7.220 30.559 0.00 0.00 -ATOM 2144 H1 H2O C 43 11.139 7.981 30.835 0.00 0.00 -ATOM 2145 H2 H2O C 43 12.423 7.550 29.922 0.00 0.00 -ATOM 2146 O1 H2O C 44 16.935 1.323 25.663 0.00 0.00 -ATOM 2147 H1 H2O C 44 17.665 1.367 24.982 0.00 0.00 -ATOM 2148 H2 H2O C 44 16.513 0.417 25.642 0.00 0.00 -ATOM 2149 O1 H2O C 45 20.824 13.952 26.699 0.00 0.00 -ATOM 2150 H1 H2O C 45 20.825 13.136 27.277 0.00 0.00 -ATOM 2151 H2 H2O C 45 19.881 14.224 26.509 0.00 0.00 -ATOM 2152 O1 H2O C 46 0.096 24.555 30.393 0.00 0.00 -ATOM 2153 H1 H2O C 46 0.901 25.092 30.141 0.00 0.00 -ATOM 2154 H2 H2O C 46 0.084 24.416 31.383 0.00 0.00 -ATOM 2155 O1 H2O C 47 7.639 0.283 25.502 0.00 0.00 -ATOM 2156 H1 H2O C 47 7.033 1.075 25.434 0.00 0.00 -ATOM 2157 H2 H2O C 47 7.095 -0.541 25.659 0.00 0.00 -ATOM 2158 O1 H2O C 48 3.239 5.442 19.660 0.00 0.00 -ATOM 2159 H1 H2O C 48 3.512 4.505 19.879 0.00 0.00 -ATOM 2160 H2 H2O C 48 4.044 6.036 19.674 0.00 0.00 -ATOM 2161 O1 H2O C 49 6.907 8.943 28.843 0.00 0.00 -ATOM 2162 H1 H2O C 49 7.533 9.683 29.088 0.00 0.00 -ATOM 2163 H2 H2O C 49 6.392 8.660 29.653 0.00 0.00 -ATOM 2164 O1 H2O C 50 23.428 10.379 20.982 0.00 0.00 -ATOM 2165 H1 H2O C 50 23.664 11.159 20.403 0.00 0.00 -ATOM 2166 H2 H2O C 50 23.278 10.692 21.920 0.00 0.00 -ATOM 2167 O1 H2O C 51 13.765 22.569 24.876 0.00 0.00 -ATOM 2168 H1 H2O C 51 14.528 22.519 25.520 0.00 0.00 -ATOM 2169 H2 H2O C 51 13.058 21.915 25.145 0.00 0.00 -ATOM 2170 O1 H2O C 52 22.443 4.194 30.796 0.00 0.00 -ATOM 2171 H1 H2O C 52 22.071 3.387 31.255 0.00 0.00 -ATOM 2172 H2 H2O C 52 23.442 4.159 30.817 0.00 0.00 -ATOM 2173 O1 H2O C 53 17.632 15.879 20.089 0.00 0.00 -ATOM 2174 H1 H2O C 53 17.433 14.902 20.011 0.00 0.00 -ATOM 2175 H2 H2O C 53 18.526 16.071 19.685 0.00 0.00 -ATOM 2176 O1 H2O C 54 1.284 14.677 27.446 0.00 0.00 -ATOM 2177 H1 H2O C 54 0.914 14.762 28.371 0.00 0.00 -ATOM 2178 H2 H2O C 54 1.141 15.534 26.950 0.00 0.00 -ATOM 2179 O1 H2O C 55 9.718 24.138 24.757 0.00 0.00 -ATOM 2180 H1 H2O C 55 9.911 24.029 25.732 0.00 0.00 -ATOM 2181 H2 H2O C 55 10.529 24.497 24.295 0.00 0.00 -ATOM 2182 O1 H2O C 56 7.629 8.964 20.308 0.00 0.00 -ATOM 2183 H1 H2O C 56 7.962 8.039 20.494 0.00 0.00 -ATOM 2184 H2 H2O C 56 8.403 9.562 20.102 0.00 0.00 -ATOM 2185 O1 H2O C 57 13.159 7.317 20.322 0.00 0.00 -ATOM 2186 H1 H2O C 57 12.938 8.105 20.897 0.00 0.00 -ATOM 2187 H2 H2O C 57 12.837 6.480 20.765 0.00 0.00 -ATOM 2188 O1 H2O C 58 22.422 13.934 20.402 0.00 0.00 -ATOM 2189 H1 H2O C 58 22.399 14.250 21.350 0.00 0.00 -ATOM 2190 H2 H2O C 58 23.292 13.472 20.225 0.00 0.00 -ATOM 2191 O1 H2O C 59 10.000 16.075 33.236 0.00 0.00 -ATOM 2192 H1 H2O C 59 10.720 15.532 33.667 0.00 0.00 -ATOM 2193 H2 H2O C 59 10.351 16.486 32.395 0.00 0.00 -ATOM 2194 O1 H2O C 60 25.385 20.978 33.739 0.00 0.00 -ATOM 2195 H1 H2O C 60 25.679 20.047 33.958 0.00 0.00 -ATOM 2196 H2 H2O C 60 24.405 20.981 33.543 0.00 0.00 -ATOM 2197 O1 H2O C 61 18.091 24.583 22.391 0.00 0.00 -ATOM 2198 H1 H2O C 61 17.653 24.178 21.589 0.00 0.00 -ATOM 2199 H2 H2O C 61 17.555 25.367 22.704 0.00 0.00 -ATOM 2200 O1 H2O C 62 8.816 7.273 23.771 0.00 0.00 -ATOM 2201 H1 H2O C 62 8.728 8.266 23.697 0.00 0.00 -ATOM 2202 H2 H2O C 62 9.635 6.973 23.283 0.00 0.00 -ATOM 2203 O1 H2O C 63 18.200 12.244 26.004 0.00 0.00 -ATOM 2204 H1 H2O C 63 18.372 11.271 25.852 0.00 0.00 -ATOM 2205 H2 H2O C 63 17.768 12.638 25.193 0.00 0.00 -ATOM 2206 O1 H2O C 64 23.329 2.075 26.776 0.00 0.00 -ATOM 2207 H1 H2O C 64 22.617 2.302 27.441 0.00 0.00 -ATOM 2208 H2 H2O C 64 24.053 1.553 27.228 0.00 0.00 -ATOM 2209 O1 H2O C 65 29.391 22.040 22.402 0.00 0.00 -ATOM 2210 H1 H2O C 65 28.974 22.905 22.682 0.00 0.00 -ATOM 2211 H2 H2O C 65 29.371 21.968 21.405 0.00 0.00 -ATOM 2212 O1 H2O C 66 8.158 5.217 31.056 0.00 0.00 -ATOM 2213 H1 H2O C 66 7.438 5.506 31.688 0.00 0.00 -ATOM 2214 H2 H2O C 66 8.987 5.001 31.572 0.00 0.00 -ATOM 2215 O1 H2O C 67 8.398 9.886 23.656 0.00 0.00 -ATOM 2216 H1 H2O C 67 8.477 10.597 22.957 0.00 0.00 -ATOM 2217 H2 H2O C 67 7.612 10.081 24.243 0.00 0.00 -ATOM 2218 O1 H2O C 68 1.264 10.715 33.224 0.00 0.00 -ATOM 2219 H1 H2O C 68 2.255 10.849 33.200 0.00 0.00 -ATOM 2220 H2 H2O C 68 1.062 9.753 33.404 0.00 0.00 -ATOM 2221 O1 H2O C 69 19.455 28.719 26.109 0.00 0.00 -ATOM 2222 H1 H2O C 69 19.654 29.695 26.014 0.00 0.00 -ATOM 2223 H2 H2O C 69 18.518 28.539 25.810 0.00 0.00 -ATOM 2224 O1 H2O C 70 16.076 22.798 26.198 0.00 0.00 -ATOM 2225 H1 H2O C 70 15.744 22.041 26.761 0.00 0.00 -ATOM 2226 H2 H2O C 70 15.788 23.666 26.602 0.00 0.00 -ATOM 2227 O1 H2O C 71 2.242 12.606 19.473 0.00 0.00 -ATOM 2228 H1 H2O C 71 1.409 12.683 20.021 0.00 0.00 -ATOM 2229 H2 H2O C 71 2.663 11.713 19.630 0.00 0.00 -ATOM 2230 O1 H2O C 72 29.210 8.021 27.984 0.00 0.00 -ATOM 2231 H1 H2O C 72 28.921 7.315 28.630 0.00 0.00 -ATOM 2232 H2 H2O C 72 30.204 8.126 28.028 0.00 0.00 -ATOM 2233 O1 H2O C 73 12.002 4.937 24.872 0.00 0.00 -ATOM 2234 H1 H2O C 73 11.308 4.832 25.584 0.00 0.00 -ATOM 2235 H2 H2O C 73 12.772 4.329 25.064 0.00 0.00 -ATOM 2236 O1 H2O C 74 24.919 24.716 30.930 0.00 0.00 -ATOM 2237 H1 H2O C 74 24.917 25.029 31.880 0.00 0.00 -ATOM 2238 H2 H2O C 74 24.238 23.994 30.815 0.00 0.00 -ATOM 2239 O1 H2O C 75 28.534 24.392 23.184 0.00 0.00 -ATOM 2240 H1 H2O C 75 29.074 25.000 23.766 0.00 0.00 -ATOM 2241 H2 H2O C 75 28.272 24.876 22.349 0.00 0.00 -ATOM 2242 O1 H2O C 76 19.813 13.786 29.966 0.00 0.00 -ATOM 2243 H1 H2O C 76 19.559 14.750 29.892 0.00 0.00 -ATOM 2244 H2 H2O C 76 20.716 13.710 30.388 0.00 0.00 -ATOM 2245 O1 H2O C 77 28.221 10.027 30.922 0.00 0.00 -ATOM 2246 H1 H2O C 77 28.283 11.025 30.953 0.00 0.00 -ATOM 2247 H2 H2O C 77 27.767 9.748 30.076 0.00 0.00 -ATOM 2248 O1 H2O C 78 29.075 24.389 33.086 0.00 0.00 -ATOM 2249 H1 H2O C 78 28.771 25.337 33.181 0.00 0.00 -ATOM 2250 H2 H2O C 78 28.282 23.781 33.119 0.00 0.00 -ATOM 2251 O1 H2O C 79 29.566 28.806 22.633 0.00 0.00 -ATOM 2252 H1 H2O C 79 28.613 28.507 22.657 0.00 0.00 -ATOM 2253 H2 H2O C 79 30.149 28.097 23.031 0.00 0.00 -ATOM 2254 O1 H2O C 80 9.917 13.529 30.445 0.00 0.00 -ATOM 2255 H1 H2O C 80 9.995 12.996 29.603 0.00 0.00 -ATOM 2256 H2 H2O C 80 10.818 13.879 30.702 0.00 0.00 -ATOM 2257 O1 H2O C 81 5.538 25.203 21.042 0.00 0.00 -ATOM 2258 H1 H2O C 81 5.622 24.280 20.668 0.00 0.00 -ATOM 2259 H2 H2O C 81 6.082 25.275 21.878 0.00 0.00 -ATOM 2260 O1 H2O C 82 18.857 22.125 30.304 0.00 0.00 -ATOM 2261 H1 H2O C 82 18.778 21.135 30.427 0.00 0.00 -ATOM 2262 H2 H2O C 82 18.763 22.349 29.334 0.00 0.00 -ATOM 2263 O1 H2O C 83 4.006 13.469 22.108 0.00 0.00 -ATOM 2264 H1 H2O C 83 4.195 14.067 21.328 0.00 0.00 -ATOM 2265 H2 H2O C 83 3.060 13.598 22.405 0.00 0.00 -ATOM 2266 O1 H2O C 84 3.071 21.165 20.430 0.00 0.00 -ATOM 2267 H1 H2O C 84 2.634 22.055 20.295 0.00 0.00 -ATOM 2268 H2 H2O C 84 4.065 21.273 20.393 0.00 0.00 -ATOM 2269 O1 H2O C 85 1.204 22.130 33.359 0.00 0.00 -ATOM 2270 H1 H2O C 85 0.495 22.797 33.585 0.00 0.00 -ATOM 2271 H2 H2O C 85 0.780 21.308 32.978 0.00 0.00 -ATOM 2272 O1 H2O C 86 20.975 9.699 29.606 0.00 0.00 -ATOM 2273 H1 H2O C 86 20.197 9.672 28.979 0.00 0.00 -ATOM 2274 H2 H2O C 86 21.789 9.350 29.143 0.00 0.00 -ATOM 2275 O1 H2O C 87 26.903 21.403 19.841 0.00 0.00 -ATOM 2276 H1 H2O C 87 26.402 22.116 20.332 0.00 0.00 -ATOM 2277 H2 H2O C 87 26.357 20.566 19.821 0.00 0.00 -ATOM 2278 O1 H2O C 88 29.520 21.977 19.639 0.00 0.00 -ATOM 2279 H1 H2O C 88 28.585 21.669 19.462 0.00 0.00 -ATOM 2280 H2 H2O C 88 29.733 22.754 19.047 0.00 0.00 -ATOM 2281 O1 H2O C 89 21.845 14.813 23.033 0.00 0.00 -ATOM 2282 H1 H2O C 89 22.219 14.763 23.959 0.00 0.00 -ATOM 2283 H2 H2O C 89 21.007 15.358 23.040 0.00 0.00 -ATOM 2284 O1 H2O C 90 25.562 7.788 20.119 0.00 0.00 -ATOM 2285 H1 H2O C 90 24.806 7.212 20.428 0.00 0.00 -ATOM 2286 H2 H2O C 90 25.245 8.732 20.023 0.00 0.00 -ATOM 2287 O1 H2O C 91 11.445 14.880 19.993 0.00 0.00 -ATOM 2288 H1 H2O C 91 12.321 15.318 20.197 0.00 0.00 -ATOM 2289 H2 H2O C 91 10.713 15.559 20.046 0.00 0.00 -ATOM 2290 O1 H2O C 92 28.372 21.908 25.347 0.00 0.00 -ATOM 2291 H1 H2O C 92 28.269 21.839 24.355 0.00 0.00 -ATOM 2292 H2 H2O C 92 27.518 21.633 25.790 0.00 0.00 -ATOM 2293 O1 H2O C 93 5.591 22.377 20.265 0.00 0.00 -ATOM 2294 H1 H2O C 93 5.463 22.479 21.252 0.00 0.00 -ATOM 2295 H2 H2O C 93 6.566 22.282 20.064 0.00 0.00 -ATOM 2296 O1 H2O C 94 12.323 -0.035 32.550 0.00 0.00 -ATOM 2297 H1 H2O C 94 12.861 0.796 32.693 0.00 0.00 -ATOM 2298 H2 H2O C 94 11.468 0.197 32.086 0.00 0.00 -ATOM 2299 O1 H2O C 95 9.085 11.020 29.290 0.00 0.00 -ATOM 2300 H1 H2O C 95 9.716 10.500 29.865 0.00 0.00 -ATOM 2301 H2 H2O C 95 9.025 10.591 28.388 0.00 0.00 -ATOM 2302 O1 H2O C 96 16.713 16.470 29.374 0.00 0.00 -ATOM 2303 H1 H2O C 96 16.202 16.810 28.584 0.00 0.00 -ATOM 2304 H2 H2O C 96 16.089 15.996 29.995 0.00 0.00 -ATOM 2305 O1 H2O C 97 17.077 28.448 24.561 0.00 0.00 -ATOM 2306 H1 H2O C 97 17.442 29.223 24.044 0.00 0.00 -ATOM 2307 H2 H2O C 97 16.653 27.798 23.931 0.00 0.00 -ATOM 2308 O1 H2O C 98 6.135 22.987 25.791 0.00 0.00 -ATOM 2309 H1 H2O C 98 6.036 23.890 26.210 0.00 0.00 -ATOM 2310 H2 H2O C 98 5.251 22.520 25.794 0.00 0.00 -ATOM 2311 O1 H2O C 99 9.983 12.574 26.267 0.00 0.00 -ATOM 2312 H1 H2O C 99 9.624 11.641 26.306 0.00 0.00 -ATOM 2313 H2 H2O C 99 10.815 12.634 26.819 0.00 0.00 -ATOM 2314 O1 H2O C 100 13.352 2.192 23.930 0.00 0.00 -ATOM 2315 H1 H2O C 100 14.048 1.752 23.362 0.00 0.00 -ATOM 2316 H2 H2O C 100 12.450 2.044 23.525 0.00 0.00 -ATOM 2317 O1 H2O C 101 24.360 2.627 29.824 0.00 0.00 -ATOM 2318 H1 H2O C 101 23.514 2.153 30.070 0.00 0.00 -ATOM 2319 H2 H2O C 101 24.971 1.994 29.348 0.00 0.00 -ATOM 2320 O1 H2O C 102 8.349 12.760 33.562 0.00 0.00 -ATOM 2321 H1 H2O C 102 7.554 12.916 34.148 0.00 0.00 -ATOM 2322 H2 H2O C 102 8.434 13.512 32.908 0.00 0.00 -ATOM 2323 O1 H2O C 103 28.605 3.041 24.954 0.00 0.00 -ATOM 2324 H1 H2O C 103 28.743 2.721 24.017 0.00 0.00 -ATOM 2325 H2 H2O C 103 27.631 3.212 25.108 0.00 0.00 -ATOM 2326 O1 H2O C 104 27.419 18.421 25.285 0.00 0.00 -ATOM 2327 H1 H2O C 104 27.080 19.205 25.806 0.00 0.00 -ATOM 2328 H2 H2O C 104 27.377 18.628 24.307 0.00 0.00 -ATOM 2329 O1 H2O C 105 24.819 19.237 29.550 0.00 0.00 -ATOM 2330 H1 H2O C 105 24.347 20.109 29.422 0.00 0.00 -ATOM 2331 H2 H2O C 105 24.848 18.742 28.682 0.00 0.00 -ATOM 2332 O1 H2O C 106 14.463 20.786 22.694 0.00 0.00 -ATOM 2333 H1 H2O C 106 14.275 21.461 23.408 0.00 0.00 -ATOM 2334 H2 H2O C 106 14.509 19.874 23.102 0.00 0.00 -ATOM 2335 O1 H2O C 107 3.671 24.992 24.955 0.00 0.00 -ATOM 2336 H1 H2O C 107 3.511 24.544 25.835 0.00 0.00 -ATOM 2337 H2 H2O C 107 3.145 24.526 24.244 0.00 0.00 -ATOM 2338 O1 H2O C 108 28.597 18.624 28.059 0.00 0.00 -ATOM 2339 H1 H2O C 108 27.735 19.093 27.867 0.00 0.00 -ATOM 2340 H2 H2O C 108 28.542 18.176 28.951 0.00 0.00 -ATOM 2341 O1 H2O C 109 15.765 1.450 31.391 0.00 0.00 -ATOM 2342 H1 H2O C 109 15.000 2.067 31.209 0.00 0.00 -ATOM 2343 H2 H2O C 109 15.439 0.505 31.395 0.00 0.00 -ATOM 2344 O1 H2O C 110 0.873 26.031 24.714 0.00 0.00 -ATOM 2345 H1 H2O C 110 1.306 26.862 25.063 0.00 0.00 -ATOM 2346 H2 H2O C 110 1.545 25.495 24.202 0.00 0.00 -ATOM 2347 O1 H2O C 111 5.323 17.536 23.343 0.00 0.00 -ATOM 2348 H1 H2O C 111 4.415 17.125 23.262 0.00 0.00 -ATOM 2349 H2 H2O C 111 5.811 17.118 24.109 0.00 0.00 -ATOM 2350 O1 H2O C 112 5.785 28.349 33.552 0.00 0.00 -ATOM 2351 H1 H2O C 112 5.489 27.491 33.971 0.00 0.00 -ATOM 2352 H2 H2O C 112 6.745 28.516 33.778 0.00 0.00 -ATOM 2353 O1 H2O C 113 14.607 26.479 20.559 0.00 0.00 -ATOM 2354 H1 H2O C 113 13.922 26.542 21.285 0.00 0.00 -ATOM 2355 H2 H2O C 113 14.589 25.561 20.163 0.00 0.00 -ATOM 2356 O1 H2O C 114 28.494 12.918 33.349 0.00 0.00 -ATOM 2357 H1 H2O C 114 29.080 13.727 33.317 0.00 0.00 -ATOM 2358 H2 H2O C 114 29.062 12.096 33.383 0.00 0.00 -ATOM 2359 O1 H2O C 115 1.326 9.428 30.227 0.00 0.00 -ATOM 2360 H1 H2O C 115 0.357 9.516 30.457 0.00 0.00 -ATOM 2361 H2 H2O C 115 1.628 8.492 30.410 0.00 0.00 -ATOM 2362 O1 H2O C 116 17.769 19.385 31.090 0.00 0.00 -ATOM 2363 H1 H2O C 116 18.317 19.116 31.882 0.00 0.00 -ATOM 2364 H2 H2O C 116 16.961 18.799 31.029 0.00 0.00 -ATOM 2365 O1 H2O C 117 19.469 4.339 26.996 0.00 0.00 -ATOM 2366 H1 H2O C 117 18.541 4.041 27.219 0.00 0.00 -ATOM 2367 H2 H2O C 117 19.470 4.785 26.101 0.00 0.00 -ATOM 2368 O1 H2O C 118 26.178 9.232 23.526 0.00 0.00 -ATOM 2369 H1 H2O C 118 26.828 8.493 23.704 0.00 0.00 -ATOM 2370 H2 H2O C 118 25.247 8.900 23.676 0.00 0.00 -ATOM 2371 O1 H2O C 119 17.061 24.125 30.951 0.00 0.00 -ATOM 2372 H1 H2O C 119 16.876 24.350 31.907 0.00 0.00 -ATOM 2373 H2 H2O C 119 17.820 23.476 30.901 0.00 0.00 -ATOM 2374 O1 H2O C 120 5.130 7.266 19.793 0.00 0.00 -ATOM 2375 H1 H2O C 120 5.910 7.685 19.327 0.00 0.00 -ATOM 2376 H2 H2O C 120 5.199 7.437 20.776 0.00 0.00 -ATOM 2377 O1 H2O C 121 22.740 27.052 33.574 0.00 0.00 -ATOM 2378 H1 H2O C 121 22.100 26.383 33.953 0.00 0.00 -ATOM 2379 H2 H2O C 121 22.465 27.285 32.641 0.00 0.00 -ATOM 2380 O1 H2O C 122 17.872 25.593 33.878 0.00 0.00 -ATOM 2381 H1 H2O C 122 17.264 26.342 33.616 0.00 0.00 -ATOM 2382 H2 H2O C 122 17.326 24.792 34.126 0.00 0.00 -ATOM 2383 O1 H2O C 123 4.650 0.872 23.183 0.00 0.00 -ATOM 2384 H1 H2O C 123 3.735 0.848 23.586 0.00 0.00 -ATOM 2385 H2 H2O C 123 5.198 0.124 23.555 0.00 0.00 -ATOM 2386 O1 H2O C 124 14.362 28.728 31.004 0.00 0.00 -ATOM 2387 H1 H2O C 124 14.299 27.831 30.568 0.00 0.00 -ATOM 2388 H2 H2O C 124 13.621 28.829 31.667 0.00 0.00 -ATOM 2389 O1 H2O C 125 3.684 0.746 26.371 0.00 0.00 -ATOM 2390 H1 H2O C 125 2.743 1.017 26.571 0.00 0.00 -ATOM 2391 H2 H2O C 125 4.309 1.469 26.665 0.00 0.00 -ATOM 2392 O1 H2O C 126 8.226 21.687 19.751 0.00 0.00 -ATOM 2393 H1 H2O C 126 8.410 21.224 18.884 0.00 0.00 -ATOM 2394 H2 H2O C 126 8.230 21.017 20.494 0.00 0.00 -ATOM 2395 O1 H2O C 127 12.145 15.715 28.544 0.00 0.00 -ATOM 2396 H1 H2O C 127 11.336 15.776 27.959 0.00 0.00 -ATOM 2397 H2 H2O C 127 12.556 14.808 28.453 0.00 0.00 -ATOM 2398 O1 H2O C 128 10.953 21.702 21.491 0.00 0.00 -ATOM 2399 H1 H2O C 128 11.057 22.626 21.125 0.00 0.00 -ATOM 2400 H2 H2O C 128 10.231 21.697 22.184 0.00 0.00 -ATOM 2401 O1 H2O C 129 1.889 1.842 29.400 0.00 0.00 -ATOM 2402 H1 H2O C 129 2.867 1.634 29.382 0.00 0.00 -ATOM 2403 H2 H2O C 129 1.754 2.823 29.257 0.00 0.00 -ATOM 2404 O1 H2O C 130 21.590 22.743 30.616 0.00 0.00 -ATOM 2405 H1 H2O C 130 20.649 22.406 30.660 0.00 0.00 -ATOM 2406 H2 H2O C 130 21.631 23.667 30.997 0.00 0.00 -ATOM 2407 O1 H2O C 131 0.620 19.311 19.968 0.00 0.00 -ATOM 2408 H1 H2O C 131 1.568 19.009 19.871 0.00 0.00 -ATOM 2409 H2 H2O C 131 0.573 20.304 19.859 0.00 0.00 -ATOM 2410 O1 H2O C 132 25.860 6.874 29.586 0.00 0.00 -ATOM 2411 H1 H2O C 132 25.775 6.218 30.336 0.00 0.00 -ATOM 2412 H2 H2O C 132 25.362 6.535 28.788 0.00 0.00 -ATOM 2413 O1 H2O C 133 21.816 24.080 24.666 0.00 0.00 -ATOM 2414 H1 H2O C 133 21.267 24.389 23.890 0.00 0.00 -ATOM 2415 H2 H2O C 133 22.518 24.762 24.870 0.00 0.00 -ATOM 2416 O1 H2O C 134 4.809 7.972 30.721 0.00 0.00 -ATOM 2417 H1 H2O C 134 4.301 7.196 30.347 0.00 0.00 -ATOM 2418 H2 H2O C 134 4.309 8.818 30.533 0.00 0.00 -ATOM 2419 O1 H2O C 135 25.332 16.991 30.789 0.00 0.00 -ATOM 2420 H1 H2O C 135 26.027 16.538 30.231 0.00 0.00 -ATOM 2421 H2 H2O C 135 25.087 17.866 30.372 0.00 0.00 -ATOM 2422 O1 H2O C 136 11.827 9.182 33.703 0.00 0.00 -ATOM 2423 H1 H2O C 136 12.693 8.732 33.922 0.00 0.00 -ATOM 2424 H2 H2O C 136 11.072 8.545 33.858 0.00 0.00 -ATOM 2425 O1 H2O C 137 26.233 15.451 23.835 0.00 0.00 -ATOM 2426 H1 H2O C 137 25.977 14.485 23.790 0.00 0.00 -ATOM 2427 H2 H2O C 137 25.755 15.956 23.116 0.00 0.00 -ATOM 2428 O1 H2O C 138 11.403 28.842 28.103 0.00 0.00 -ATOM 2429 H1 H2O C 138 12.312 29.258 28.134 0.00 0.00 -ATOM 2430 H2 H2O C 138 10.767 29.465 27.648 0.00 0.00 -ATOM 2431 O1 H2O C 139 4.718 25.860 33.668 0.00 0.00 -ATOM 2432 H1 H2O C 139 3.862 25.499 33.299 0.00 0.00 -ATOM 2433 H2 H2O C 139 5.468 25.238 33.443 0.00 0.00 -ATOM 2434 O1 H2O C 140 5.701 17.785 20.438 0.00 0.00 -ATOM 2435 H1 H2O C 140 6.595 18.162 20.195 0.00 0.00 -ATOM 2436 H2 H2O C 140 5.526 17.941 21.410 0.00 0.00 -ATOM 2437 O1 H2O C 141 23.290 22.908 20.384 0.00 0.00 -ATOM 2438 H1 H2O C 141 22.639 22.157 20.270 0.00 0.00 -ATOM 2439 H2 H2O C 141 22.828 23.688 20.804 0.00 0.00 -ATOM 2440 O1 H2O C 142 11.480 16.002 24.007 0.00 0.00 -ATOM 2441 H1 H2O C 142 11.921 16.443 24.789 0.00 0.00 -ATOM 2442 H2 H2O C 142 11.435 16.646 23.243 0.00 0.00 -ATOM 2443 O1 H2O C 143 12.698 9.365 22.023 0.00 0.00 -ATOM 2444 H1 H2O C 143 13.251 9.922 21.404 0.00 0.00 -ATOM 2445 H2 H2O C 143 11.790 9.773 22.118 0.00 0.00 -ATOM 2446 O1 H2O C 144 10.250 12.527 19.694 0.00 0.00 -ATOM 2447 H1 H2O C 144 10.172 12.363 18.711 0.00 0.00 -ATOM 2448 H2 H2O C 144 10.842 13.317 19.854 0.00 0.00 -ATOM 2449 O1 H2O C 145 8.807 21.978 23.141 0.00 0.00 -ATOM 2450 H1 H2O C 145 7.912 22.214 22.763 0.00 0.00 -ATOM 2451 H2 H2O C 145 9.005 22.568 23.923 0.00 0.00 -ATOM 2452 O1 H2O C 146 9.626 23.195 31.244 0.00 0.00 -ATOM 2453 H1 H2O C 146 10.439 22.718 30.912 0.00 0.00 -ATOM 2454 H2 H2O C 146 8.806 22.721 30.923 0.00 0.00 -ATOM 2455 O1 H2O C 147 19.428 3.413 30.729 0.00 0.00 -ATOM 2456 H1 H2O C 147 19.328 4.376 30.977 0.00 0.00 -ATOM 2457 H2 H2O C 147 19.542 2.865 31.558 0.00 0.00 -ATOM 2458 O1 H2O C 148 20.600 18.495 28.794 0.00 0.00 -ATOM 2459 H1 H2O C 148 21.521 18.167 28.584 0.00 0.00 -ATOM 2460 H2 H2O C 148 20.060 17.746 29.178 0.00 0.00 -ATOM 2461 O1 H2O C 149 0.434 8.523 25.490 0.00 0.00 -ATOM 2462 H1 H2O C 149 0.207 8.340 26.446 0.00 0.00 -ATOM 2463 H2 H2O C 149 1.424 8.463 25.365 0.00 0.00 -ATOM 2464 O1 H2O C 150 26.606 2.596 33.602 0.00 0.00 -ATOM 2465 H1 H2O C 150 25.640 2.471 33.825 0.00 0.00 -ATOM 2466 H2 H2O C 150 26.985 3.333 34.163 0.00 0.00 -ATOM 2467 O1 H2O C 151 20.840 25.337 30.660 0.00 0.00 -ATOM 2468 H1 H2O C 151 21.568 26.022 30.664 0.00 0.00 -ATOM 2469 H2 H2O C 151 19.993 25.753 30.328 0.00 0.00 -ATOM 2470 O1 H2O C 152 16.512 18.055 26.921 0.00 0.00 -ATOM 2471 H1 H2O C 152 15.563 17.743 26.975 0.00 0.00 -ATOM 2472 H2 H2O C 152 16.568 19.004 27.230 0.00 0.00 -ATOM 2473 O1 H2O C 153 28.572 3.597 28.857 0.00 0.00 -ATOM 2474 H1 H2O C 153 28.514 4.505 29.271 0.00 0.00 -ATOM 2475 H2 H2O C 153 29.523 3.396 28.624 0.00 0.00 -ATOM 2476 O1 H2O C 154 18.038 3.510 22.730 0.00 0.00 -ATOM 2477 H1 H2O C 154 17.293 3.627 23.387 0.00 0.00 -ATOM 2478 H2 H2O C 154 17.697 3.684 21.806 0.00 0.00 -ATOM 2479 O1 H2O C 155 17.630 2.632 33.405 0.00 0.00 -ATOM 2480 H1 H2O C 155 17.401 3.591 33.572 0.00 0.00 -ATOM 2481 H2 H2O C 155 16.944 2.227 32.800 0.00 0.00 -ATOM 2482 O1 H2O C 156 26.687 28.079 22.525 0.00 0.00 -ATOM 2483 H1 H2O C 156 26.418 28.797 21.883 0.00 0.00 -ATOM 2484 H2 H2O C 156 25.876 27.575 22.821 0.00 0.00 -ATOM 2485 O1 H2O C 157 7.202 2.853 29.274 0.00 0.00 -ATOM 2486 H1 H2O C 157 7.957 2.231 29.481 0.00 0.00 -ATOM 2487 H2 H2O C 157 7.355 3.727 29.735 0.00 0.00 -ATOM 2488 O1 H2O C 158 6.081 21.321 30.769 0.00 0.00 -ATOM 2489 H1 H2O C 158 5.639 21.009 29.928 0.00 0.00 -ATOM 2490 H2 H2O C 158 5.385 21.635 31.415 0.00 0.00 -ATOM 2491 O1 H2O C 159 9.289 9.876 26.710 0.00 0.00 -ATOM 2492 H1 H2O C 159 8.912 9.393 25.919 0.00 0.00 -ATOM 2493 H2 H2O C 159 10.075 9.369 27.066 0.00 0.00 -ATOM 2494 O1 H2O C 160 5.740 20.048 24.429 0.00 0.00 -ATOM 2495 H1 H2O C 160 5.753 19.164 23.962 0.00 0.00 -ATOM 2496 H2 H2O C 160 4.960 20.084 25.054 0.00 0.00 -ATOM 2497 O1 H2O C 161 21.027 21.077 20.692 0.00 0.00 -ATOM 2498 H1 H2O C 161 20.763 20.112 20.701 0.00 0.00 -ATOM 2499 H2 H2O C 161 20.891 21.469 21.601 0.00 0.00 -ATOM 2500 O1 H2O C 162 24.333 26.986 29.490 0.00 0.00 -ATOM 2501 H1 H2O C 162 25.164 27.483 29.736 0.00 0.00 -ATOM 2502 H2 H2O C 162 24.411 26.035 29.790 0.00 0.00 -ATOM 2503 O1 H2O C 163 20.915 6.435 31.367 0.00 0.00 -ATOM 2504 H1 H2O C 163 21.762 5.926 31.208 0.00 0.00 -ATOM 2505 H2 H2O C 163 20.540 6.739 30.491 0.00 0.00 -ATOM 2506 O1 H2O C 164 3.625 22.040 26.320 0.00 0.00 -ATOM 2507 H1 H2O C 164 3.110 21.249 25.990 0.00 0.00 -ATOM 2508 H2 H2O C 164 3.050 22.579 26.935 0.00 0.00 -ATOM 2509 O1 H2O C 165 19.284 16.562 30.145 0.00 0.00 -ATOM 2510 H1 H2O C 165 18.315 16.469 29.915 0.00 0.00 -ATOM 2511 H2 H2O C 165 19.373 16.926 31.072 0.00 0.00 -ATOM 2512 O1 H2O C 166 15.203 10.741 33.606 0.00 0.00 -ATOM 2513 H1 H2O C 166 15.404 11.577 34.116 0.00 0.00 -ATOM 2514 H2 H2O C 166 14.853 10.979 32.700 0.00 0.00 -ATOM 2515 O1 H2O C 167 3.079 14.581 25.476 0.00 0.00 -ATOM 2516 H1 H2O C 167 2.132 14.408 25.746 0.00 0.00 -ATOM 2517 H2 H2O C 167 3.098 14.957 24.549 0.00 0.00 -ATOM 2518 O1 H2O C 168 11.798 22.587 29.236 0.00 0.00 -ATOM 2519 H1 H2O C 168 12.416 23.242 29.669 0.00 0.00 -ATOM 2520 H2 H2O C 168 11.133 23.078 28.673 0.00 0.00 -ATOM 2521 O1 H2O C 169 13.660 12.916 19.986 0.00 0.00 -ATOM 2522 H1 H2O C 169 12.660 12.896 19.998 0.00 0.00 -ATOM 2523 H2 H2O C 169 13.973 13.851 19.821 0.00 0.00 -ATOM 2524 O1 H2O C 170 1.098 12.396 31.297 0.00 0.00 -ATOM 2525 H1 H2O C 170 0.174 12.695 31.058 0.00 0.00 -ATOM 2526 H2 H2O C 170 1.052 11.740 32.050 0.00 0.00 -ATOM 2527 O1 H2O C 171 4.010 2.655 20.555 0.00 0.00 -ATOM 2528 H1 H2O C 171 4.573 3.149 21.217 0.00 0.00 -ATOM 2529 H2 H2O C 171 4.373 1.731 20.432 0.00 0.00 -ATOM 2530 O1 H2O C 172 22.720 20.878 33.306 0.00 0.00 -ATOM 2531 H1 H2O C 172 22.541 20.320 32.495 0.00 0.00 -ATOM 2532 H2 H2O C 172 21.861 21.055 33.785 0.00 0.00 -ATOM 2533 O1 H2O C 173 22.370 13.894 30.570 0.00 0.00 -ATOM 2534 H1 H2O C 173 23.013 14.358 29.961 0.00 0.00 -ATOM 2535 H2 H2O C 173 22.872 13.287 31.186 0.00 0.00 -ATOM 2536 O1 H2O C 174 13.332 14.627 33.879 0.00 0.00 -ATOM 2537 H1 H2O C 174 14.305 14.410 33.810 0.00 0.00 -ATOM 2538 H2 H2O C 174 12.798 13.782 33.839 0.00 0.00 -ATOM 2539 O1 H2O C 175 5.105 29.871 20.375 0.00 0.00 -ATOM 2540 H1 H2O C 175 4.868 29.858 21.347 0.00 0.00 -ATOM 2541 H2 H2O C 175 5.928 29.322 20.226 0.00 0.00 -ATOM 2542 O1 H2O C 176 11.589 24.325 20.915 0.00 0.00 -ATOM 2543 H1 H2O C 176 12.494 24.072 20.573 0.00 0.00 -ATOM 2544 H2 H2O C 176 11.656 24.574 21.882 0.00 0.00 -ATOM 2545 O1 H2O C 177 26.149 11.548 22.374 0.00 0.00 -ATOM 2546 H1 H2O C 177 26.090 10.664 22.839 0.00 0.00 -ATOM 2547 H2 H2O C 177 26.247 12.276 23.053 0.00 0.00 -ATOM 2548 O1 H2O C 178 8.158 10.227 32.716 0.00 0.00 -ATOM 2549 H1 H2O C 178 8.207 10.741 33.573 0.00 0.00 -ATOM 2550 H2 H2O C 178 7.469 10.639 32.120 0.00 0.00 -ATOM 2551 O1 H2O C 179 5.687 8.864 33.149 0.00 0.00 -ATOM 2552 H1 H2O C 179 5.610 8.482 32.228 0.00 0.00 -ATOM 2553 H2 H2O C 179 6.627 9.169 33.305 0.00 0.00 -ATOM 2554 O1 H2O C 180 16.097 13.990 33.467 0.00 0.00 -ATOM 2555 H1 H2O C 180 16.353 14.956 33.451 0.00 0.00 -ATOM 2556 H2 H2O C 180 16.906 13.428 33.293 0.00 0.00 -ATOM 2557 O1 H2O C 181 18.973 18.074 22.535 0.00 0.00 -ATOM 2558 H1 H2O C 181 19.060 18.565 21.668 0.00 0.00 -ATOM 2559 H2 H2O C 181 18.174 18.413 23.032 0.00 0.00 -ATOM 2560 O1 H2O C 182 26.300 6.334 33.695 0.00 0.00 -ATOM 2561 H1 H2O C 182 25.336 6.329 33.960 0.00 0.00 -ATOM 2562 H2 H2O C 182 26.633 7.276 33.669 0.00 0.00 -ATOM 2563 O1 H2O C 183 0.309 12.928 25.406 0.00 0.00 -ATOM 2564 H1 H2O C 183 0.752 13.108 26.285 0.00 0.00 -ATOM 2565 H2 H2O C 183 0.028 11.969 25.364 0.00 0.00 -ATOM 2566 O1 H2O C 184 22.725 29.100 27.800 0.00 0.00 -ATOM 2567 H1 H2O C 184 22.964 28.159 28.042 0.00 0.00 -ATOM 2568 H2 H2O C 184 21.842 29.335 28.207 0.00 0.00 -ATOM 2569 O1 H2O C 185 0.493 16.831 26.179 0.00 0.00 -ATOM 2570 H1 H2O C 185 0.390 17.318 25.311 0.00 0.00 -ATOM 2571 H2 H2O C 185 0.040 17.347 26.906 0.00 0.00 -ATOM 2572 O1 H2O C 186 13.620 8.549 29.199 0.00 0.00 -ATOM 2573 H1 H2O C 186 13.919 9.322 28.639 0.00 0.00 -ATOM 2574 H2 H2O C 186 14.320 7.835 29.182 0.00 0.00 -ATOM 2575 O1 H2O C 187 11.370 16.752 30.905 0.00 0.00 -ATOM 2576 H1 H2O C 187 11.837 16.250 30.177 0.00 0.00 -ATOM 2577 H2 H2O C 187 11.129 17.666 30.578 0.00 0.00 -ATOM 2578 O1 H2O C 188 14.780 10.305 27.435 0.00 0.00 -ATOM 2579 H1 H2O C 188 15.596 10.715 27.027 0.00 0.00 -ATOM 2580 H2 H2O C 188 14.071 10.209 26.737 0.00 0.00 -ATOM 2581 O1 H2O C 189 20.141 1.608 25.921 0.00 0.00 -ATOM 2582 H1 H2O C 189 20.697 1.635 25.090 0.00 0.00 -ATOM 2583 H2 H2O C 189 20.030 2.536 26.277 0.00 0.00 -ATOM 2584 O1 H2O C 190 1.020 1.458 26.521 0.00 0.00 -ATOM 2585 H1 H2O C 190 0.603 1.101 27.357 0.00 0.00 -ATOM 2586 H2 H2O C 190 0.363 2.041 26.044 0.00 0.00 -ATOM 2587 O1 H2O C 191 2.523 23.768 20.192 0.00 0.00 -ATOM 2588 H1 H2O C 191 3.477 23.797 19.895 0.00 0.00 -ATOM 2589 H2 H2O C 191 2.174 24.700 20.287 0.00 0.00 -ATOM 2590 O1 H2O C 192 8.663 21.260 29.828 0.00 0.00 -ATOM 2591 H1 H2O C 192 8.645 21.358 28.833 0.00 0.00 -ATOM 2592 H2 H2O C 192 7.736 21.094 30.164 0.00 0.00 -ATOM 2593 O1 H2O C 193 7.847 24.917 22.911 0.00 0.00 -ATOM 2594 H1 H2O C 193 8.407 24.854 23.738 0.00 0.00 -ATOM 2595 H2 H2O C 193 8.372 24.586 22.127 0.00 0.00 -ATOM 2596 O1 H2O C 194 3.173 4.855 31.557 0.00 0.00 -ATOM 2597 H1 H2O C 194 3.796 4.124 31.833 0.00 0.00 -ATOM 2598 H2 H2O C 194 3.078 5.512 32.306 0.00 0.00 -ATOM 2599 O1 H2O C 195 5.356 8.072 26.607 0.00 0.00 -ATOM 2600 H1 H2O C 195 5.723 7.465 25.901 0.00 0.00 -ATOM 2601 H2 H2O C 195 5.944 8.036 27.415 0.00 0.00 -ATOM 2602 O1 H2O C 196 0.496 6.431 19.941 0.00 0.00 -ATOM 2603 H1 H2O C 196 0.413 6.635 20.917 0.00 0.00 -ATOM 2604 H2 H2O C 196 1.462 6.329 19.703 0.00 0.00 -ATOM 2605 O1 H2O C 197 24.140 7.964 25.308 0.00 0.00 -ATOM 2606 H1 H2O C 197 24.161 8.827 25.814 0.00 0.00 -ATOM 2607 H2 H2O C 197 24.790 7.323 25.716 0.00 0.00 -ATOM 2608 O1 H2O C 198 15.029 18.669 30.612 0.00 0.00 -ATOM 2609 H1 H2O C 198 14.284 19.321 30.757 0.00 0.00 -ATOM 2610 H2 H2O C 198 14.857 18.147 29.777 0.00 0.00 -ATOM 2611 O1 H2O C 199 8.347 3.796 20.538 0.00 0.00 -ATOM 2612 H1 H2O C 199 7.532 3.638 21.097 0.00 0.00 -ATOM 2613 H2 H2O C 199 8.691 2.922 20.196 0.00 0.00 -ATOM 2614 O1 H2O C 200 14.513 10.190 20.164 0.00 0.00 -ATOM 2615 H1 H2O C 200 14.485 11.176 19.999 0.00 0.00 -ATOM 2616 H2 H2O C 200 14.439 9.704 19.294 0.00 0.00 -ATOM 2617 O1 H2O C 201 5.275 15.004 20.425 0.00 0.00 -ATOM 2618 H1 H2O C 201 5.925 14.292 20.160 0.00 0.00 -ATOM 2619 H2 H2O C 201 5.732 15.894 20.414 0.00 0.00 -ATOM 2620 O1 H2O C 202 23.824 25.772 25.619 0.00 0.00 -ATOM 2621 H1 H2O C 202 24.788 25.949 25.821 0.00 0.00 -ATOM 2622 H2 H2O C 202 23.403 25.298 26.393 0.00 0.00 -ATOM 2623 O1 H2O C 203 28.857 5.773 32.876 0.00 0.00 -ATOM 2624 H1 H2O C 203 27.866 5.716 32.994 0.00 0.00 -ATOM 2625 H2 H2O C 203 29.282 4.934 33.214 0.00 0.00 -ATOM 2626 O1 H2O C 204 14.111 23.643 20.382 0.00 0.00 -ATOM 2627 H1 H2O C 204 14.380 23.636 21.345 0.00 0.00 -ATOM 2628 H2 H2O C 204 14.202 22.722 20.004 0.00 0.00 -ATOM 2629 O1 H2O C 205 17.180 16.499 33.265 0.00 0.00 -ATOM 2630 H1 H2O C 205 18.167 16.559 33.409 0.00 0.00 -ATOM 2631 H2 H2O C 205 16.765 17.395 33.426 0.00 0.00 -ATOM 2632 O1 H2O C 206 28.571 0.514 28.360 0.00 0.00 -ATOM 2633 H1 H2O C 206 28.286 -0.177 29.024 0.00 0.00 -ATOM 2634 H2 H2O C 206 28.523 1.420 28.780 0.00 0.00 -ATOM 2635 O1 H2O C 207 7.490 13.784 26.750 0.00 0.00 -ATOM 2636 H1 H2O C 207 7.275 13.584 27.706 0.00 0.00 -ATOM 2637 H2 H2O C 207 8.115 13.088 26.397 0.00 0.00 -ATOM 2638 O1 H2O C 208 25.408 23.356 27.840 0.00 0.00 -ATOM 2639 H1 H2O C 208 24.516 23.797 27.747 0.00 0.00 -ATOM 2640 H2 H2O C 208 26.131 24.035 27.712 0.00 0.00 -ATOM 2641 O1 H2O C 209 7.372 15.685 25.081 0.00 0.00 -ATOM 2642 H1 H2O C 209 7.275 15.264 25.983 0.00 0.00 -ATOM 2643 H2 H2O C 209 7.111 15.026 24.375 0.00 0.00 -ATOM 2644 O1 H2O C 210 20.768 16.352 20.249 0.00 0.00 -ATOM 2645 H1 H2O C 210 21.678 16.766 20.230 0.00 0.00 -ATOM 2646 H2 H2O C 210 20.848 15.383 20.485 0.00 0.00 -ATOM 2647 O1 H2O C 211 22.177 2.409 20.864 0.00 0.00 -ATOM 2648 H1 H2O C 211 21.530 1.660 20.719 0.00 0.00 -ATOM 2649 H2 H2O C 211 21.912 2.926 21.678 0.00 0.00 -ATOM 2650 O1 H2O C 212 22.714 5.053 33.663 0.00 0.00 -ATOM 2651 H1 H2O C 212 21.769 5.223 33.945 0.00 0.00 -ATOM 2652 H2 H2O C 212 23.158 5.923 33.447 0.00 0.00 -ATOM 2653 O1 H2O C 213 3.343 7.072 33.360 0.00 0.00 -ATOM 2654 H1 H2O C 213 2.574 7.662 33.606 0.00 0.00 -ATOM 2655 H2 H2O C 213 4.190 7.605 33.376 0.00 0.00 -ATOM 2656 O1 H2O C 214 9.319 8.045 33.749 0.00 0.00 -ATOM 2657 H1 H2O C 214 9.041 8.843 33.214 0.00 0.00 -ATOM 2658 H2 H2O C 214 8.556 7.401 33.808 0.00 0.00 -ATOM 2659 O1 H2O C 215 26.636 23.270 32.970 0.00 0.00 -ATOM 2660 H1 H2O C 215 26.060 24.085 33.027 0.00 0.00 -ATOM 2661 H2 H2O C 215 26.213 22.526 33.488 0.00 0.00 -ATOM 2662 O1 H2O C 216 6.119 10.407 25.322 0.00 0.00 -ATOM 2663 H1 H2O C 216 5.968 9.522 25.762 0.00 0.00 -ATOM 2664 H2 H2O C 216 5.887 11.141 25.961 0.00 0.00 -ATOM 2665 O1 H2O C 217 -0.182 15.723 21.049 0.00 0.00 -ATOM 2666 H1 H2O C 217 0.733 15.481 20.725 0.00 0.00 -ATOM 2667 H2 H2O C 217 -0.300 15.397 21.988 0.00 0.00 -ATOM 2668 O1 H2O C 218 4.300 10.470 22.960 0.00 0.00 -ATOM 2669 H1 H2O C 218 4.784 11.335 23.093 0.00 0.00 -ATOM 2670 H2 H2O C 218 3.658 10.328 23.713 0.00 0.00 -ATOM 2671 O1 H2O C 219 5.966 22.435 22.953 0.00 0.00 -ATOM 2672 H1 H2O C 219 6.092 23.031 23.746 0.00 0.00 -ATOM 2673 H2 H2O C 219 5.703 21.521 23.261 0.00 0.00 -ATOM 2674 O1 H2O C 220 19.514 18.292 32.794 0.00 0.00 -ATOM 2675 H1 H2O C 220 19.862 17.467 33.238 0.00 0.00 -ATOM 2676 H2 H2O C 220 20.272 18.920 32.616 0.00 0.00 -ATOM 2677 O1 H2O C 221 28.425 10.592 24.639 0.00 0.00 -ATOM 2678 H1 H2O C 221 28.665 9.704 25.030 0.00 0.00 -ATOM 2679 H2 H2O C 221 27.465 10.584 24.357 0.00 0.00 -ATOM 2680 O1 H2O C 222 3.276 10.771 27.046 0.00 0.00 -ATOM 2681 H1 H2O C 222 3.261 9.983 26.430 0.00 0.00 -ATOM 2682 H2 H2O C 222 4.112 11.298 26.893 0.00 0.00 -ATOM 2683 O1 H2O C 223 24.198 10.176 26.994 0.00 0.00 -ATOM 2684 H1 H2O C 223 23.744 9.832 27.816 0.00 0.00 -ATOM 2685 H2 H2O C 223 25.178 10.269 27.169 0.00 0.00 -ATOM 2686 O1 H2O C 224 15.121 25.909 30.125 0.00 0.00 -ATOM 2687 H1 H2O C 224 14.327 25.821 30.726 0.00 0.00 -ATOM 2688 H2 H2O C 224 15.724 25.121 30.250 0.00 0.00 -ATOM 2689 O1 H2O C 225 4.063 10.888 33.483 0.00 0.00 -ATOM 2690 H1 H2O C 225 4.503 11.765 33.293 0.00 0.00 -ATOM 2691 H2 H2O C 225 4.762 10.190 33.639 0.00 0.00 -ATOM 2692 O1 H2O C 226 11.337 1.468 22.390 0.00 0.00 -ATOM 2693 H1 H2O C 226 11.489 1.174 21.446 0.00 0.00 -ATOM 2694 H2 H2O C 226 10.440 1.151 22.698 0.00 0.00 -ATOM 2695 O1 H2O C 227 2.550 24.565 32.471 0.00 0.00 -ATOM 2696 H1 H2O C 227 2.024 25.414 32.517 0.00 0.00 -ATOM 2697 H2 H2O C 227 2.093 23.860 33.013 0.00 0.00 -ATOM 2698 O1 H2O C 228 7.618 13.247 20.483 0.00 0.00 -ATOM 2699 H1 H2O C 228 8.552 13.063 20.173 0.00 0.00 -ATOM 2700 H2 H2O C 228 7.084 12.402 20.450 0.00 0.00 -ATOM 2701 O1 H2O C 229 11.998 25.343 28.584 0.00 0.00 -ATOM 2702 H1 H2O C 229 12.170 26.146 29.156 0.00 0.00 -ATOM 2703 H2 H2O C 229 11.293 25.559 27.909 0.00 0.00 -ATOM 2704 O1 H2O C 230 13.948 0.480 28.648 0.00 0.00 -ATOM 2705 H1 H2O C 230 14.264 0.017 27.820 0.00 0.00 -ATOM 2706 H2 H2O C 230 14.284 -0.010 29.453 0.00 0.00 -ATOM 2707 O1 H2O C 231 21.764 6.826 23.716 0.00 0.00 -ATOM 2708 H1 H2O C 231 21.028 7.439 23.427 0.00 0.00 -ATOM 2709 H2 H2O C 231 22.478 7.356 24.173 0.00 0.00 -ATOM 2710 O1 H2O C 232 15.189 2.117 20.201 0.00 0.00 -ATOM 2711 H1 H2O C 232 14.532 2.046 19.451 0.00 0.00 -ATOM 2712 H2 H2O C 232 15.959 1.502 20.029 0.00 0.00 -ATOM 2713 O1 H2O C 233 26.469 20.281 27.424 0.00 0.00 -ATOM 2714 H1 H2O C 233 26.345 20.344 28.414 0.00 0.00 -ATOM 2715 H2 H2O C 233 25.950 21.009 26.976 0.00 0.00 -ATOM 2716 O1 H2O C 234 2.537 7.896 27.939 0.00 0.00 -ATOM 2717 H1 H2O C 234 3.090 7.346 28.566 0.00 0.00 -ATOM 2718 H2 H2O C 234 2.757 8.864 28.062 0.00 0.00 -ATOM 2719 O1 H2O C 235 28.587 6.113 30.222 0.00 0.00 -ATOM 2720 H1 H2O C 235 27.672 6.500 30.108 0.00 0.00 -ATOM 2721 H2 H2O C 235 28.740 5.898 31.186 0.00 0.00 -ATOM 2722 O1 H2O C 236 0.336 15.592 30.125 0.00 0.00 -ATOM 2723 H1 H2O C 236 0.356 15.086 30.987 0.00 0.00 -ATOM 2724 H2 H2O C 236 0.989 16.347 30.166 0.00 0.00 -ATOM 2725 O1 H2O C 237 28.818 3.748 20.302 0.00 0.00 -ATOM 2726 H1 H2O C 237 27.882 3.696 19.954 0.00 0.00 -ATOM 2727 H2 H2O C 237 29.182 4.666 20.144 0.00 0.00 -ATOM 2728 O1 H2O C 238 0.754 0.862 33.820 0.00 0.00 -ATOM 2729 H1 H2O C 238 1.541 0.320 34.114 0.00 0.00 -ATOM 2730 H2 H2O C 238 -0.073 0.303 33.867 0.00 0.00 -ATOM 2731 O1 H2O C 239 7.789 27.406 27.736 0.00 0.00 -ATOM 2732 H1 H2O C 239 7.735 28.011 28.530 0.00 0.00 -ATOM 2733 H2 H2O C 239 7.132 27.705 27.044 0.00 0.00 -ATOM 2734 O1 H2O C 240 15.201 10.403 24.058 0.00 0.00 -ATOM 2735 H1 H2O C 240 15.388 9.422 24.111 0.00 0.00 -ATOM 2736 H2 H2O C 240 15.710 10.798 23.294 0.00 0.00 -ATOM 2737 O1 H2O C 241 15.914 26.796 26.569 0.00 0.00 -ATOM 2738 H1 H2O C 241 16.221 27.428 25.857 0.00 0.00 -ATOM 2739 H2 H2O C 241 16.671 26.196 26.830 0.00 0.00 -ATOM 2740 O1 H2O C 242 10.862 5.363 22.511 0.00 0.00 -ATOM 2741 H1 H2O C 242 11.111 4.802 21.722 0.00 0.00 -ATOM 2742 H2 H2O C 242 11.353 5.037 23.320 0.00 0.00 -ATOM 2743 O1 H2O C 243 27.999 21.896 30.697 0.00 0.00 -ATOM 2744 H1 H2O C 243 28.118 22.842 30.396 0.00 0.00 -ATOM 2745 H2 H2O C 243 27.322 21.862 31.431 0.00 0.00 -ATOM 2746 O1 H2O C 244 5.466 8.209 22.110 0.00 0.00 -ATOM 2747 H1 H2O C 244 6.402 8.502 21.914 0.00 0.00 -ATOM 2748 H2 H2O C 244 4.878 9.013 22.203 0.00 0.00 -ATOM 2749 O1 H2O C 245 6.348 11.071 30.941 0.00 0.00 -ATOM 2750 H1 H2O C 245 6.665 11.745 30.273 0.00 0.00 -ATOM 2751 H2 H2O C 245 5.374 10.894 30.800 0.00 0.00 -ATOM 2752 O1 H2O C 246 15.074 14.858 31.007 0.00 0.00 -ATOM 2753 H1 H2O C 246 15.578 14.800 31.868 0.00 0.00 -ATOM 2754 H2 H2O C 246 15.338 14.097 30.414 0.00 0.00 -ATOM 2755 O1 H2O C 247 8.218 21.663 33.490 0.00 0.00 -ATOM 2756 H1 H2O C 247 8.513 22.368 32.845 0.00 0.00 -ATOM 2757 H2 H2O C 247 8.879 20.912 33.487 0.00 0.00 -ATOM 2758 O1 H2O C 248 14.554 5.297 33.037 0.00 0.00 -ATOM 2759 H1 H2O C 248 14.098 4.837 32.276 0.00 0.00 -ATOM 2760 H2 H2O C 248 14.259 6.252 33.074 0.00 0.00 -ATOM 2761 O1 H2O C 249 8.517 1.230 22.717 0.00 0.00 -ATOM 2762 H1 H2O C 249 8.374 2.147 23.090 0.00 0.00 -ATOM 2763 H2 H2O C 249 8.003 0.566 23.260 0.00 0.00 -ATOM 2764 O1 H2O C 250 25.213 25.923 33.583 0.00 0.00 -ATOM 2765 H1 H2O C 250 24.238 26.141 33.557 0.00 0.00 -ATOM 2766 H2 H2O C 250 25.377 25.207 34.261 0.00 0.00 -ATOM 2767 O1 H2O C 251 3.120 24.332 27.916 0.00 0.00 -ATOM 2768 H1 H2O C 251 2.143 24.529 27.843 0.00 0.00 -ATOM 2769 H2 H2O C 251 3.292 23.799 28.745 0.00 0.00 -ATOM 2770 O1 H2O C 252 22.402 1.015 30.741 0.00 0.00 -ATOM 2771 H1 H2O C 252 22.210 0.792 31.696 0.00 0.00 -ATOM 2772 H2 H2O C 252 21.584 0.852 30.189 0.00 0.00 -ATOM 2773 O1 H2O C 253 19.768 4.359 19.770 0.00 0.00 -ATOM 2774 H1 H2O C 253 18.777 4.282 19.878 0.00 0.00 -ATOM 2775 H2 H2O C 253 20.193 3.471 19.948 0.00 0.00 -ATOM 2776 O1 H2O C 254 11.626 20.599 25.184 0.00 0.00 -ATOM 2777 H1 H2O C 254 11.663 20.602 26.183 0.00 0.00 -ATOM 2778 H2 H2O C 254 10.699 20.822 24.884 0.00 0.00 -ATOM 2779 O1 H2O C 255 23.391 17.928 20.546 0.00 0.00 -ATOM 2780 H1 H2O C 255 22.751 18.118 21.290 0.00 0.00 -ATOM 2781 H2 H2O C 255 23.994 17.175 20.808 0.00 0.00 -ATOM 2782 O1 H2O C 256 21.892 16.467 27.214 0.00 0.00 -ATOM 2783 H1 H2O C 256 22.116 16.949 26.366 0.00 0.00 -ATOM 2784 H2 H2O C 256 21.397 15.626 26.998 0.00 0.00 -ATOM 2785 O1 H2O C 257 5.721 26.378 23.983 0.00 0.00 -ATOM 2786 H1 H2O C 257 6.528 25.822 23.780 0.00 0.00 -ATOM 2787 H2 H2O C 257 4.942 25.779 24.166 0.00 0.00 -ATOM 2788 O1 H2O C 258 6.584 13.844 23.022 0.00 0.00 -ATOM 2789 H1 H2O C 258 7.042 13.795 22.134 0.00 0.00 -ATOM 2790 H2 H2O C 258 5.624 13.587 22.916 0.00 0.00 -ATOM 2791 O1 H2O C 259 20.277 0.300 28.552 0.00 0.00 -ATOM 2792 H1 H2O C 259 20.310 1.296 28.469 0.00 0.00 -ATOM 2793 H2 H2O C 259 19.758 -0.081 27.786 0.00 0.00 -ATOM 2794 O1 H2O C 260 25.959 14.489 32.954 0.00 0.00 -ATOM 2795 H1 H2O C 260 26.720 13.850 33.069 0.00 0.00 -ATOM 2796 H2 H2O C 260 26.315 15.422 32.891 0.00 0.00 -ATOM 2797 O1 H2O C 261 14.186 14.012 27.769 0.00 0.00 -ATOM 2798 H1 H2O C 261 14.894 13.643 28.371 0.00 0.00 -ATOM 2799 H2 H2O C 261 14.557 14.125 26.848 0.00 0.00 -ATOM 2800 O1 H2O C 262 6.200 2.332 32.767 0.00 0.00 -ATOM 2801 H1 H2O C 262 5.263 2.139 32.478 0.00 0.00 -ATOM 2802 H2 H2O C 262 6.780 1.542 32.570 0.00 0.00 -ATOM 2803 O1 H2O C 263 17.380 8.142 22.040 0.00 0.00 -ATOM 2804 H1 H2O C 263 18.174 7.560 21.865 0.00 0.00 -ATOM 2805 H2 H2O C 263 17.064 8.002 22.978 0.00 0.00 -ATOM 2806 O1 H2O C 264 22.709 28.666 25.065 0.00 0.00 -ATOM 2807 H1 H2O C 264 22.779 28.887 26.037 0.00 0.00 -ATOM 2808 H2 H2O C 264 22.988 29.458 24.522 0.00 0.00 -ATOM 2809 O1 H2O C 265 11.559 17.441 21.802 0.00 0.00 -ATOM 2810 H1 H2O C 265 11.290 17.812 20.912 0.00 0.00 -ATOM 2811 H2 H2O C 265 12.513 17.679 21.987 0.00 0.00 -ATOM 2812 O1 H2O C 266 20.727 8.340 26.980 0.00 0.00 -ATOM 2813 H1 H2O C 266 20.519 7.551 27.558 0.00 0.00 -ATOM 2814 H2 H2O C 266 21.650 8.244 26.606 0.00 0.00 -ATOM 2815 O1 H2O C 267 25.459 4.847 31.363 0.00 0.00 -ATOM 2816 H1 H2O C 267 25.833 5.022 32.274 0.00 0.00 -ATOM 2817 H2 H2O C 267 25.449 3.862 31.191 0.00 0.00 -ATOM 2818 O1 H2O C 268 8.306 3.882 23.685 0.00 0.00 -ATOM 2819 H1 H2O C 268 8.981 4.376 23.138 0.00 0.00 -ATOM 2820 H2 H2O C 268 8.379 4.166 24.641 0.00 0.00 -ATOM 2821 O1 H2O C 269 23.838 15.318 28.649 0.00 0.00 -ATOM 2822 H1 H2O C 269 24.269 16.184 28.901 0.00 0.00 -ATOM 2823 H2 H2O C 269 23.017 15.498 28.109 0.00 0.00 -ATOM 2824 O1 H2O C 270 25.242 4.905 22.479 0.00 0.00 -ATOM 2825 H1 H2O C 270 24.244 4.848 22.474 0.00 0.00 -ATOM 2826 H2 H2O C 270 25.588 4.635 23.378 0.00 0.00 -ATOM 2827 O1 H2O C 271 8.388 18.932 20.660 0.00 0.00 -ATOM 2828 H1 H2O C 271 8.459 18.525 21.571 0.00 0.00 -ATOM 2829 H2 H2O C 271 9.181 18.666 20.113 0.00 0.00 -ATOM 2830 O1 H2O C 272 5.263 13.602 33.058 0.00 0.00 -ATOM 2831 H1 H2O C 272 6.012 14.068 32.588 0.00 0.00 -ATOM 2832 H2 H2O C 272 4.445 13.621 32.483 0.00 0.00 -ATOM 2833 O1 H2O C 273 6.242 20.441 28.062 0.00 0.00 -ATOM 2834 H1 H2O C 273 6.653 21.064 27.396 0.00 0.00 -ATOM 2835 H2 H2O C 273 6.322 19.501 27.731 0.00 0.00 -ATOM 2836 O1 H2O C 274 1.831 27.529 31.275 0.00 0.00 -ATOM 2837 H1 H2O C 274 1.374 28.381 31.018 0.00 0.00 -ATOM 2838 H2 H2O C 274 2.623 27.384 30.682 0.00 0.00 -ATOM 2839 O1 H2O C 275 0.433 0.086 30.943 0.00 0.00 -ATOM 2840 H1 H2O C 275 0.873 0.820 30.426 0.00 0.00 -ATOM 2841 H2 H2O C 275 -0.294 0.469 31.514 0.00 0.00 -ATOM 2842 O1 H2O C 276 7.262 16.041 33.673 0.00 0.00 -ATOM 2843 H1 H2O C 276 7.009 17.008 33.659 0.00 0.00 -ATOM 2844 H2 H2O C 276 8.220 15.950 33.943 0.00 0.00 -ATOM 2845 O1 H2O C 277 18.751 29.405 33.381 0.00 0.00 -ATOM 2846 H1 H2O C 277 18.622 30.229 33.933 0.00 0.00 -ATOM 2847 H2 H2O C 277 17.987 28.779 33.534 0.00 0.00 -ATOM 2848 O1 H2O C 278 17.355 22.925 20.396 0.00 0.00 -ATOM 2849 H1 H2O C 278 17.571 22.176 21.023 0.00 0.00 -ATOM 2850 H2 H2O C 278 16.545 22.688 19.860 0.00 0.00 -ATOM 2851 O1 H2O C 279 4.481 4.719 26.300 0.00 0.00 -ATOM 2852 H1 H2O C 279 5.040 5.240 25.656 0.00 0.00 -ATOM 2853 H2 H2O C 279 3.543 4.663 25.958 0.00 0.00 -ATOM 2854 O1 H2O C 280 18.443 12.950 32.277 0.00 0.00 -ATOM 2855 H1 H2O C 280 19.143 13.026 32.987 0.00 0.00 -ATOM 2856 H2 H2O C 280 18.833 13.216 31.395 0.00 0.00 -ATOM 2857 O1 H2O C 281 27.247 15.887 29.158 0.00 0.00 -ATOM 2858 H1 H2O C 281 27.115 15.741 28.178 0.00 0.00 -ATOM 2859 H2 H2O C 281 28.101 15.454 29.447 0.00 0.00 -ATOM 2860 O1 H2O C 282 27.689 17.758 20.211 0.00 0.00 -ATOM 2861 H1 H2O C 282 28.260 17.011 20.549 0.00 0.00 -ATOM 2862 H2 H2O C 282 28.264 18.437 19.755 0.00 0.00 -ATOM 2863 O1 H2O C 283 2.234 23.772 23.095 0.00 0.00 -ATOM 2864 H1 H2O C 283 2.363 23.877 22.109 0.00 0.00 -ATOM 2865 H2 H2O C 283 1.538 23.074 23.268 0.00 0.00 -ATOM 2866 O1 H2O C 284 13.913 28.206 22.994 0.00 0.00 -ATOM 2867 H1 H2O C 284 14.211 29.081 22.613 0.00 0.00 -ATOM 2868 H2 H2O C 284 12.922 28.222 23.130 0.00 0.00 -ATOM 2869 O1 H2O C 285 1.139 26.205 20.002 0.00 0.00 -ATOM 2870 H1 H2O C 285 1.236 27.199 19.974 0.00 0.00 -ATOM 2871 H2 H2O C 285 0.188 25.958 19.817 0.00 0.00 -ATOM 2872 O1 H2O C 286 21.331 27.786 19.856 0.00 0.00 -ATOM 2873 H1 H2O C 286 21.305 27.299 18.983 0.00 0.00 -ATOM 2874 H2 H2O C 286 22.232 27.672 20.274 0.00 0.00 -ATOM 2875 O1 H2O C 287 12.023 25.110 23.656 0.00 0.00 -ATOM 2876 H1 H2O C 287 12.767 24.457 23.799 0.00 0.00 -ATOM 2877 H2 H2O C 287 12.289 26.003 24.020 0.00 0.00 -ATOM 2878 O1 H2O C 288 14.086 6.169 27.407 0.00 0.00 -ATOM 2879 H1 H2O C 288 15.035 6.390 27.634 0.00 0.00 -ATOM 2880 H2 H2O C 288 13.816 6.666 26.582 0.00 0.00 -ATOM 2881 O1 H2O C 289 17.335 0.586 20.055 0.00 0.00 -ATOM 2882 H1 H2O C 289 17.297 -0.398 19.878 0.00 0.00 -ATOM 2883 H2 H2O C 289 18.260 0.921 19.880 0.00 0.00 -ATOM 2884 O1 H2O C 290 21.459 11.070 26.770 0.00 0.00 -ATOM 2885 H1 H2O C 290 21.092 10.171 27.010 0.00 0.00 -ATOM 2886 H2 H2O C 290 22.358 10.960 26.345 0.00 0.00 -ATOM 2887 O1 H2O C 291 0.769 11.493 28.155 0.00 0.00 -ATOM 2888 H1 H2O C 291 1.521 11.262 27.537 0.00 0.00 -ATOM 2889 H2 H2O C 291 1.024 11.259 29.093 0.00 0.00 -ATOM 2890 O1 H2O C 292 16.314 7.425 28.436 0.00 0.00 -ATOM 2891 H1 H2O C 292 16.932 6.834 28.955 0.00 0.00 -ATOM 2892 H2 H2O C 292 16.833 8.179 28.034 0.00 0.00 -ATOM 2893 O1 H2O C 293 21.199 22.618 26.802 0.00 0.00 -ATOM 2894 H1 H2O C 293 20.226 22.819 26.912 0.00 0.00 -ATOM 2895 H2 H2O C 293 21.548 23.090 25.992 0.00 0.00 -ATOM 2896 O1 H2O C 294 8.235 4.718 26.483 0.00 0.00 -ATOM 2897 H1 H2O C 294 8.062 5.297 27.280 0.00 0.00 -ATOM 2898 H2 H2O C 294 9.167 4.356 26.531 0.00 0.00 -ATOM 2899 O1 H2O C 295 17.909 0.876 23.179 0.00 0.00 -ATOM 2900 H1 H2O C 295 18.316 0.170 22.599 0.00 0.00 -ATOM 2901 H2 H2O C 295 18.319 1.762 22.963 0.00 0.00 -ATOM 2902 O1 H2O C 296 12.813 27.055 25.636 0.00 0.00 -ATOM 2903 H1 H2O C 296 12.054 26.655 26.150 0.00 0.00 -ATOM 2904 H2 H2O C 296 13.674 26.649 25.945 0.00 0.00 -ATOM 2905 O1 H2O C 297 0.610 20.526 27.099 0.00 0.00 -ATOM 2906 H1 H2O C 297 0.077 21.169 26.549 0.00 0.00 -ATOM 2907 H2 H2O C 297 0.021 19.776 27.399 0.00 0.00 -ATOM 2908 O1 H2O C 298 18.329 25.661 27.144 0.00 0.00 -ATOM 2909 H1 H2O C 298 18.708 26.100 27.958 0.00 0.00 -ATOM 2910 H2 H2O C 298 18.684 24.729 27.072 0.00 0.00 -ATOM 2911 O1 H2O C 299 5.358 29.033 30.765 0.00 0.00 -ATOM 2912 H1 H2O C 299 4.811 28.293 30.373 0.00 0.00 -ATOM 2913 H2 H2O C 299 5.399 28.927 31.758 0.00 0.00 -ATOM 2914 O1 H2O C 300 23.326 13.812 25.353 0.00 0.00 -ATOM 2915 H1 H2O C 300 22.427 13.640 25.758 0.00 0.00 -ATOM 2916 H2 H2O C 300 24.037 13.626 26.030 0.00 0.00 -ATOM 2917 O1 H2O C 301 16.840 3.676 26.802 0.00 0.00 -ATOM 2918 H1 H2O C 301 16.941 2.693 26.649 0.00 0.00 -ATOM 2919 H2 H2O C 301 16.075 4.020 26.257 0.00 0.00 -ATOM 2920 O1 H2O C 302 6.954 28.093 20.616 0.00 0.00 -ATOM 2921 H1 H2O C 302 7.840 27.780 20.274 0.00 0.00 -ATOM 2922 H2 H2O C 302 6.391 27.302 20.856 0.00 0.00 -ATOM 2923 O1 H2O C 303 13.729 10.663 31.132 0.00 0.00 -ATOM 2924 H1 H2O C 303 13.148 11.469 31.014 0.00 0.00 -ATOM 2925 H2 H2O C 303 13.687 10.098 30.308 0.00 0.00 -ATOM 2926 O1 H2O C 304 3.230 29.317 33.405 0.00 0.00 -ATOM 2927 H1 H2O C 304 2.591 28.661 33.002 0.00 0.00 -ATOM 2928 H2 H2O C 304 4.018 28.828 33.778 0.00 0.00 -ATOM 2929 O1 H2O C 305 22.298 2.185 24.362 0.00 0.00 -ATOM 2930 H1 H2O C 305 22.634 2.107 25.301 0.00 0.00 -ATOM 2931 H2 H2O C 305 22.833 1.587 23.766 0.00 0.00 -ATOM 2932 O1 H2O C 306 21.373 24.748 21.809 0.00 0.00 -ATOM 2933 H1 H2O C 306 21.017 25.521 22.333 0.00 0.00 -ATOM 2934 H2 H2O C 306 20.752 24.543 21.053 0.00 0.00 -ATOM 2935 O1 H2O C 307 21.027 2.865 28.459 0.00 0.00 -ATOM 2936 H1 H2O C 307 20.377 3.292 27.830 0.00 0.00 -ATOM 2937 H2 H2O C 307 20.899 3.241 29.377 0.00 0.00 -ATOM 2938 O1 H2O C 308 10.223 28.118 24.330 0.00 0.00 -ATOM 2939 H1 H2O C 308 9.471 28.727 24.583 0.00 0.00 -ATOM 2940 H2 H2O C 308 10.586 27.677 25.151 0.00 0.00 -ATOM 2941 O1 H2O C 309 1.143 1.658 19.972 0.00 0.00 -ATOM 2942 H1 H2O C 309 2.063 1.946 20.241 0.00 0.00 -ATOM 2943 H2 H2O C 309 0.508 2.422 20.083 0.00 0.00 -ATOM 2944 O1 H2O C 310 24.085 27.015 23.161 0.00 0.00 -ATOM 2945 H1 H2O C 310 24.334 26.077 23.400 0.00 0.00 -ATOM 2946 H2 H2O C 310 23.537 27.412 23.897 0.00 0.00 -ATOM 2947 O1 H2O C 311 14.404 4.844 21.818 0.00 0.00 -ATOM 2948 H1 H2O C 311 14.903 5.275 21.066 0.00 0.00 -ATOM 2949 H2 H2O C 311 13.885 4.063 21.470 0.00 0.00 -ATOM 2950 O1 H2O C 312 26.748 28.598 29.927 0.00 0.00 -ATOM 2951 H1 H2O C 312 27.114 27.696 30.155 0.00 0.00 -ATOM 2952 H2 H2O C 312 26.750 29.174 30.744 0.00 0.00 -ATOM 2953 O1 H2O C 313 7.094 18.220 30.620 0.00 0.00 -ATOM 2954 H1 H2O C 313 7.389 17.548 29.941 0.00 0.00 -ATOM 2955 H2 H2O C 313 6.742 19.033 30.155 0.00 0.00 -ATOM 2956 O1 H2O C 314 15.883 15.880 22.412 0.00 0.00 -ATOM 2957 H1 H2O C 314 16.587 15.652 21.739 0.00 0.00 -ATOM 2958 H2 H2O C 314 15.860 15.176 23.121 0.00 0.00 -ATOM 2959 O1 H2O C 315 15.025 14.537 25.160 0.00 0.00 -ATOM 2960 H1 H2O C 315 15.894 14.064 25.017 0.00 0.00 -ATOM 2961 H2 H2O C 315 14.423 14.372 24.379 0.00 0.00 -ATOM 2962 O1 H2O C 316 7.954 6.384 28.660 0.00 0.00 -ATOM 2963 H1 H2O C 316 8.233 5.889 29.483 0.00 0.00 -ATOM 2964 H2 H2O C 316 7.859 7.356 28.871 0.00 0.00 -ATOM 2965 O1 H2O C 317 8.841 24.296 20.506 0.00 0.00 -ATOM 2966 H1 H2O C 317 8.626 23.417 20.080 0.00 0.00 -ATOM 2967 H2 H2O C 317 9.831 24.383 20.611 0.00 0.00 -ATOM 2968 O1 H2O C 318 23.314 13.241 33.584 0.00 0.00 -ATOM 2969 H1 H2O C 318 23.466 12.258 33.684 0.00 0.00 -ATOM 2970 H2 H2O C 318 24.191 13.703 33.451 0.00 0.00 -ATOM 2971 O1 H2O C 319 16.199 23.084 33.639 0.00 0.00 -ATOM 2972 H1 H2O C 319 16.851 22.325 33.631 0.00 0.00 -ATOM 2973 H2 H2O C 319 15.267 22.722 33.653 0.00 0.00 -ATOM 2974 O1 H2O C 320 0.289 8.405 22.091 0.00 0.00 -ATOM 2975 H1 H2O C 320 0.625 9.328 22.280 0.00 0.00 -ATOM 2976 H2 H2O C 320 -0.434 8.447 21.402 0.00 0.00 -ATOM 2977 O1 H2O C 321 13.214 28.983 19.845 0.00 0.00 -ATOM 2978 H1 H2O C 321 12.702 28.817 20.687 0.00 0.00 -ATOM 2979 H2 H2O C 321 13.857 28.232 19.692 0.00 0.00 -ATOM 2980 O1 H2O C 322 13.350 22.377 33.605 0.00 0.00 -ATOM 2981 H1 H2O C 322 13.067 21.451 33.857 0.00 0.00 -ATOM 2982 H2 H2O C 322 12.542 22.956 33.502 0.00 0.00 -ATOM 2983 O1 H2O C 323 19.154 26.186 19.919 0.00 0.00 -ATOM 2984 H1 H2O C 323 19.899 26.806 20.165 0.00 0.00 -ATOM 2985 H2 H2O C 323 19.531 25.294 19.670 0.00 0.00 -ATOM 2986 O1 H2O C 324 3.190 8.692 25.077 0.00 0.00 -ATOM 2987 H1 H2O C 324 3.973 8.517 25.675 0.00 0.00 -ATOM 2988 H2 H2O C 324 3.129 7.971 24.387 0.00 0.00 -ATOM 2989 O1 H2O C 325 15.606 4.166 24.152 0.00 0.00 -ATOM 2990 H1 H2O C 325 15.134 4.632 23.403 0.00 0.00 -ATOM 2991 H2 H2O C 325 15.109 3.331 24.390 0.00 0.00 -ATOM 2992 O1 H2O C 326 12.911 17.833 25.283 0.00 0.00 -ATOM 2993 H1 H2O C 326 12.261 18.580 25.148 0.00 0.00 -ATOM 2994 H2 H2O C 326 13.342 17.923 26.181 0.00 0.00 -ATOM 2995 O1 H2O C 327 25.971 29.406 20.430 0.00 0.00 -ATOM 2996 H1 H2O C 327 26.957 29.434 20.267 0.00 0.00 -ATOM 2997 H2 H2O C 327 25.569 30.293 20.202 0.00 0.00 -ATOM 2998 O1 H2O C 328 18.784 9.612 25.700 0.00 0.00 -ATOM 2999 H1 H2O C 328 19.396 9.109 26.310 0.00 0.00 -ATOM 3000 H2 H2O C 328 19.198 9.676 24.792 0.00 0.00 -ATOM 3001 O1 H2O C 329 0.483 8.084 33.741 0.00 0.00 -ATOM 3002 H1 H2O C 329 -0.284 8.546 34.187 0.00 0.00 -ATOM 3003 H2 H2O C 329 0.226 7.141 33.529 0.00 0.00 -ATOM 3004 O1 H2O C 330 2.886 16.030 22.920 0.00 0.00 -ATOM 3005 H1 H2O C 330 2.787 16.276 21.955 0.00 0.00 -ATOM 3006 H2 H2O C 330 2.102 16.376 23.435 0.00 0.00 -ATOM 3007 O1 H2O C 331 3.302 14.120 31.301 0.00 0.00 -ATOM 3008 H1 H2O C 331 2.461 13.582 31.358 0.00 0.00 -ATOM 3009 H2 H2O C 331 3.547 14.254 30.340 0.00 0.00 -ATOM 3010 O1 H2O C 332 19.824 22.237 22.859 0.00 0.00 -ATOM 3011 H1 H2O C 332 19.452 23.153 22.709 0.00 0.00 -ATOM 3012 H2 H2O C 332 19.089 21.563 22.790 0.00 0.00 -ATOM 3013 O1 H2O C 333 26.047 26.438 27.523 0.00 0.00 -ATOM 3014 H1 H2O C 333 26.789 26.404 28.194 0.00 0.00 -ATOM 3015 H2 H2O C 333 25.186 26.639 27.989 0.00 0.00 -ATOM 3016 O1 H2O C 334 10.642 2.727 33.465 0.00 0.00 -ATOM 3017 H1 H2O C 334 10.927 3.484 32.878 0.00 0.00 -ATOM 3018 H2 H2O C 334 10.130 3.085 34.246 0.00 0.00 -ATOM 3019 O1 H2O C 335 6.987 18.535 33.281 0.00 0.00 -ATOM 3020 H1 H2O C 335 6.832 19.487 33.544 0.00 0.00 -ATOM 3021 H2 H2O C 335 6.954 18.455 32.284 0.00 0.00 -ATOM 3022 O1 H2O C 336 21.698 8.157 33.384 0.00 0.00 -ATOM 3023 H1 H2O C 336 22.672 7.932 33.408 0.00 0.00 -ATOM 3024 H2 H2O C 336 21.274 7.718 32.591 0.00 0.00 -ATOM 3025 O1 H2O C 337 1.613 6.364 23.120 0.00 0.00 -ATOM 3026 H1 H2O C 337 2.555 6.242 22.808 0.00 0.00 -ATOM 3027 H2 H2O C 337 1.227 7.186 22.702 0.00 0.00 -ATOM 3028 O1 H2O C 338 1.418 4.445 25.461 0.00 0.00 -ATOM 3029 H1 H2O C 338 0.477 4.144 25.306 0.00 0.00 -ATOM 3030 H2 H2O C 338 1.643 5.180 24.822 0.00 0.00 -ATOM 3031 O1 H2O C 339 21.741 8.006 20.524 0.00 0.00 -ATOM 3032 H1 H2O C 339 22.344 8.763 20.273 0.00 0.00 -ATOM 3033 H2 H2O C 339 22.252 7.147 20.488 0.00 0.00 -ATOM 3034 O1 H2O C 340 22.144 27.849 30.773 0.00 0.00 -ATOM 3035 H1 H2O C 340 21.627 28.705 30.776 0.00 0.00 -ATOM 3036 H2 H2O C 340 23.041 28.004 30.360 0.00 0.00 -ATOM 3037 O1 H2O C 341 25.527 20.599 23.148 0.00 0.00 -ATOM 3038 H1 H2O C 341 26.307 20.212 22.656 0.00 0.00 -ATOM 3039 H2 H2O C 341 24.695 20.466 22.611 0.00 0.00 -ATOM 3040 O1 H2O C 342 17.735 20.789 33.831 0.00 0.00 -ATOM 3041 H1 H2O C 342 17.028 20.081 33.820 0.00 0.00 -ATOM 3042 H2 H2O C 342 18.612 20.380 34.082 0.00 0.00 -ATOM 3043 O1 H2O C 343 26.599 12.744 24.844 0.00 0.00 -ATOM 3044 H1 H2O C 343 26.153 12.747 25.740 0.00 0.00 -ATOM 3045 H2 H2O C 343 27.483 12.282 24.914 0.00 0.00 -ATOM 3046 O1 H2O C 344 10.919 4.630 31.586 0.00 0.00 -ATOM 3047 H1 H2O C 344 11.117 5.607 31.503 0.00 0.00 -ATOM 3048 H2 H2O C 344 10.903 4.214 30.677 0.00 0.00 -ATOM 3049 O1 H2O C 345 19.974 0.595 20.380 0.00 0.00 -ATOM 3050 H1 H2O C 345 19.532 -0.089 20.961 0.00 0.00 -ATOM 3051 H2 H2O C 345 20.549 0.135 19.703 0.00 0.00 -ATOM 3052 O1 H2O C 346 27.797 26.844 33.380 0.00 0.00 -ATOM 3053 H1 H2O C 346 27.758 27.791 33.699 0.00 0.00 -ATOM 3054 H2 H2O C 346 26.875 26.529 33.157 0.00 0.00 -ATOM 3055 O1 H2O C 347 12.822 10.751 25.289 0.00 0.00 -ATOM 3056 H1 H2O C 347 12.099 10.832 24.603 0.00 0.00 -ATOM 3057 H2 H2O C 347 13.699 10.603 24.834 0.00 0.00 -ATOM 3058 O1 H2O C 348 8.674 6.489 20.497 0.00 0.00 -ATOM 3059 H1 H2O C 348 9.189 6.545 21.353 0.00 0.00 -ATOM 3060 H2 H2O C 348 8.585 5.531 20.224 0.00 0.00 -ATOM 3061 O1 H2O C 349 25.731 3.525 25.206 0.00 0.00 -ATOM 3062 H1 H2O C 349 25.528 3.364 26.172 0.00 0.00 -ATOM 3063 H2 H2O C 349 25.655 2.665 24.702 0.00 0.00 -ATOM 3064 O1 H2O C 350 26.865 9.109 28.822 0.00 0.00 -ATOM 3065 H1 H2O C 350 26.381 8.308 29.174 0.00 0.00 -ATOM 3066 H2 H2O C 350 27.622 8.813 28.241 0.00 0.00 -ATOM 3067 O1 H2O C 351 3.595 18.727 28.261 0.00 0.00 -ATOM 3068 H1 H2O C 351 3.830 17.944 27.685 0.00 0.00 -ATOM 3069 H2 H2O C 351 4.160 19.511 28.003 0.00 0.00 -ATOM 3070 O1 H2O C 352 11.433 1.372 19.757 0.00 0.00 -ATOM 3071 H1 H2O C 352 11.957 0.582 19.438 0.00 0.00 -ATOM 3072 H2 H2O C 352 10.456 1.191 19.645 0.00 0.00 -ATOM 3073 O1 H2O C 353 13.338 17.388 33.742 0.00 0.00 -ATOM 3074 H1 H2O C 353 13.417 16.443 34.061 0.00 0.00 -ATOM 3075 H2 H2O C 353 13.069 17.392 32.779 0.00 0.00 -ATOM 3076 O1 H2O C 354 13.718 17.784 27.768 0.00 0.00 -ATOM 3077 H1 H2O C 354 13.171 18.598 27.964 0.00 0.00 -ATOM 3078 H2 H2O C 354 13.178 16.965 27.963 0.00 0.00 -ATOM 3079 O1 H2O C 355 1.850 20.101 22.656 0.00 0.00 -ATOM 3080 H1 H2O C 355 2.575 20.121 21.967 0.00 0.00 -ATOM 3081 H2 H2O C 355 1.181 20.817 22.456 0.00 0.00 -ATOM 3082 O1 H2O C 356 11.141 28.246 21.634 0.00 0.00 -ATOM 3083 H1 H2O C 356 10.301 27.953 21.178 0.00 0.00 -ATOM 3084 H2 H2O C 356 10.992 28.273 22.623 0.00 0.00 -ATOM 3085 O1 H2O C 357 5.454 28.149 26.326 0.00 0.00 -ATOM 3086 H1 H2O C 357 4.957 27.329 26.042 0.00 0.00 -ATOM 3087 H2 H2O C 357 4.873 28.953 26.198 0.00 0.00 -ATOM 3088 O1 H2O C 358 17.937 10.151 31.750 0.00 0.00 -ATOM 3089 H1 H2O C 358 18.313 10.130 30.823 0.00 0.00 -ATOM 3090 H2 H2O C 358 17.644 11.081 31.970 0.00 0.00 -ATOM 3091 O1 H2O C 359 0.674 17.699 23.684 0.00 0.00 -ATOM 3092 H1 H2O C 359 -0.194 17.891 23.226 0.00 0.00 -ATOM 3093 H2 H2O C 359 1.338 18.411 23.455 0.00 0.00 -ATOM 3094 O1 H2O C 360 9.647 26.404 31.132 0.00 0.00 -ATOM 3095 H1 H2O C 360 9.493 25.427 30.983 0.00 0.00 -ATOM 3096 H2 H2O C 360 9.107 26.931 30.475 0.00 0.00 -ATOM 3097 O1 H2O C 361 20.541 25.422 33.413 0.00 0.00 -ATOM 3098 H1 H2O C 361 19.745 25.831 33.859 0.00 0.00 -ATOM 3099 H2 H2O C 361 20.406 25.426 32.422 0.00 0.00 -ATOM 3100 O1 H2O C 362 3.381 10.092 20.275 0.00 0.00 -ATOM 3101 H1 H2O C 362 3.646 10.234 21.229 0.00 0.00 -ATOM 3102 H2 H2O C 362 3.614 9.160 19.999 0.00 0.00 -ATOM 3103 O1 H2O C 363 12.151 2.371 29.578 0.00 0.00 -ATOM 3104 H1 H2O C 363 12.699 3.204 29.654 0.00 0.00 -ATOM 3105 H2 H2O C 363 12.671 1.674 29.085 0.00 0.00 -ATOM 3106 O1 H2O C 364 25.561 16.348 20.968 0.00 0.00 -ATOM 3107 H1 H2O C 364 26.136 17.117 20.691 0.00 0.00 -ATOM 3108 H2 H2O C 364 26.033 15.489 20.767 0.00 0.00 -ATOM 3109 O1 H2O C 365 26.032 4.658 19.868 0.00 0.00 -ATOM 3110 H1 H2O C 365 26.177 5.444 19.268 0.00 0.00 -ATOM 3111 H2 H2O C 365 25.959 4.970 20.815 0.00 0.00 -ATOM 3112 O1 H2O C 366 3.781 10.420 29.940 0.00 0.00 -ATOM 3113 H1 H2O C 366 2.889 10.348 30.386 0.00 0.00 -ATOM 3114 H2 H2O C 366 3.675 10.871 29.054 0.00 0.00 -ATOM 3115 O1 H2O C 367 22.456 21.110 23.898 0.00 0.00 -ATOM 3116 H1 H2O C 367 22.815 20.914 24.810 0.00 0.00 -ATOM 3117 H2 H2O C 367 21.847 21.902 23.941 0.00 0.00 -ATOM 3118 O1 H2O C 368 1.948 18.136 30.386 0.00 0.00 -ATOM 3119 H1 H2O C 368 2.271 18.403 29.478 0.00 0.00 -ATOM 3120 H2 H2O C 368 2.727 17.861 30.949 0.00 0.00 -ATOM 3121 O1 H2O C 369 24.102 9.659 31.592 0.00 0.00 -ATOM 3122 H1 H2O C 369 24.896 10.194 31.880 0.00 0.00 -ATOM 3123 H2 H2O C 369 23.282 10.229 31.635 0.00 0.00 -ATOM 3124 O1 H2O C 370 22.864 20.279 26.446 0.00 0.00 -ATOM 3125 H1 H2O C 370 23.719 20.781 26.319 0.00 0.00 -ATOM 3126 H2 H2O C 370 22.469 20.512 27.334 0.00 0.00 -ATOM 3127 O1 H2O C 371 20.763 15.950 33.563 0.00 0.00 -ATOM 3128 H1 H2O C 371 20.643 14.995 33.834 0.00 0.00 -ATOM 3129 H2 H2O C 371 21.624 16.050 33.064 0.00 0.00 -ATOM 3130 O1 H2O C 372 5.617 25.270 27.289 0.00 0.00 -ATOM 3131 H1 H2O C 372 5.693 26.251 27.463 0.00 0.00 -ATOM 3132 H2 H2O C 372 4.685 24.966 27.488 0.00 0.00 -ATOM 3133 O1 H2O C 373 2.907 28.215 25.049 0.00 0.00 -ATOM 3134 H1 H2O C 373 3.110 28.034 24.087 0.00 0.00 -ATOM 3135 H2 H2O C 373 3.130 29.166 25.263 0.00 0.00 -ATOM 3136 O1 H2O C 374 3.980 5.668 28.807 0.00 0.00 -ATOM 3137 H1 H2O C 374 4.292 5.018 29.500 0.00 0.00 -ATOM 3138 H2 H2O C 374 4.298 5.372 27.906 0.00 0.00 -ATOM 3139 O1 H2O C 375 1.330 21.383 29.522 0.00 0.00 -ATOM 3140 H1 H2O C 375 0.483 21.720 29.935 0.00 0.00 -ATOM 3141 H2 H2O C 375 1.137 21.032 28.606 0.00 0.00 -ATOM 3142 O1 H2O C 376 6.149 11.170 20.011 0.00 0.00 -ATOM 3143 H1 H2O C 376 6.481 10.231 20.101 0.00 0.00 -ATOM 3144 H2 H2O C 376 5.186 11.158 19.741 0.00 0.00 -ATOM 3145 O1 H2O C 377 15.120 0.895 22.630 0.00 0.00 -ATOM 3146 H1 H2O C 377 16.059 0.864 22.972 0.00 0.00 -ATOM 3147 H2 H2O C 377 15.106 1.343 21.736 0.00 0.00 -ATOM 3148 O1 H2O C 378 10.645 10.959 22.319 0.00 0.00 -ATOM 3149 H1 H2O C 378 10.696 10.991 21.321 0.00 0.00 -ATOM 3150 H2 H2O C 378 10.868 11.858 22.694 0.00 0.00 -ATOM 3151 O1 H2O C 379 17.801 6.205 30.285 0.00 0.00 -ATOM 3152 H1 H2O C 379 17.661 6.605 31.191 0.00 0.00 -ATOM 3153 H2 H2O C 379 17.582 5.229 30.314 0.00 0.00 -ATOM 3154 O1 H2O C 380 14.250 15.449 20.110 0.00 0.00 -ATOM 3155 H1 H2O C 380 14.519 15.740 21.028 0.00 0.00 -ATOM 3156 H2 H2O C 380 15.065 15.356 19.538 0.00 0.00 -ATOM 3157 O1 H2O C 381 13.714 7.924 25.118 0.00 0.00 -ATOM 3158 H1 H2O C 381 13.365 7.389 24.349 0.00 0.00 -ATOM 3159 H2 H2O C 381 13.356 8.857 25.065 0.00 0.00 -ATOM 3160 O1 H2O C 382 21.825 18.875 22.578 0.00 0.00 -ATOM 3161 H1 H2O C 382 20.874 18.728 22.852 0.00 0.00 -ATOM 3162 H2 H2O C 382 22.174 19.703 23.016 0.00 0.00 -ATOM 3163 O1 H2O C 383 20.244 2.448 33.722 0.00 0.00 -ATOM 3164 H1 H2O C 383 19.246 2.392 33.752 0.00 0.00 -ATOM 3165 H2 H2O C 383 20.530 3.390 33.899 0.00 0.00 -ATOM 3166 O1 H2O C 384 29.095 14.457 23.484 0.00 0.00 -ATOM 3167 H1 H2O C 384 28.190 14.795 23.740 0.00 0.00 -ATOM 3168 H2 H2O C 384 29.425 13.826 24.186 0.00 0.00 -ATOM 3169 O1 H2O C 385 22.678 5.673 20.335 0.00 0.00 -ATOM 3170 H1 H2O C 385 22.118 5.242 19.627 0.00 0.00 -ATOM 3171 H2 H2O C 385 22.638 5.126 21.171 0.00 0.00 -ATOM 3172 O1 H2O C 386 9.848 18.795 27.325 0.00 0.00 -ATOM 3173 H1 H2O C 386 9.353 18.269 28.017 0.00 0.00 -ATOM 3174 H2 H2O C 386 9.267 18.919 26.521 0.00 0.00 -ATOM 3175 O1 H2O C 387 17.261 19.132 24.401 0.00 0.00 -ATOM 3176 H1 H2O C 387 16.911 18.512 25.103 0.00 0.00 -ATOM 3177 H2 H2O C 387 18.203 19.386 24.620 0.00 0.00 -ATOM 3178 O1 H2O C 388 7.740 14.923 31.211 0.00 0.00 -ATOM 3179 H1 H2O C 388 7.697 15.537 32.000 0.00 0.00 -ATOM 3180 H2 H2O C 388 8.660 14.538 31.139 0.00 0.00 -ATOM 3181 O1 H2O C 389 18.378 11.572 28.767 0.00 0.00 -ATOM 3182 H1 H2O C 389 18.850 12.355 29.173 0.00 0.00 -ATOM 3183 H2 H2O C 389 18.447 11.622 27.771 0.00 0.00 -ATOM 3184 O1 H2O C 390 27.825 25.445 21.022 0.00 0.00 -ATOM 3185 H1 H2O C 390 27.026 25.073 20.551 0.00 0.00 -ATOM 3186 H2 H2O C 390 27.838 26.440 20.922 0.00 0.00 -ATOM 3187 O1 H2O C 391 25.148 0.542 28.211 0.00 0.00 -ATOM 3188 H1 H2O C 391 25.849 -0.037 28.628 0.00 0.00 -ATOM 3189 H2 H2O C 391 24.340 -0.010 28.003 0.00 0.00 -ATOM 3190 O1 H2O C 392 6.447 18.048 26.704 0.00 0.00 -ATOM 3191 H1 H2O C 392 5.714 17.462 26.357 0.00 0.00 -ATOM 3192 H2 H2O C 392 7.319 17.762 26.306 0.00 0.00 -ATOM 3193 O1 H2O C 393 9.523 1.448 29.907 0.00 0.00 -ATOM 3194 H1 H2O C 393 9.284 1.222 30.852 0.00 0.00 -ATOM 3195 H2 H2O C 393 10.420 1.889 29.887 0.00 0.00 -ATOM 3196 O1 H2O C 394 26.146 24.032 24.720 0.00 0.00 -ATOM 3197 H1 H2O C 394 25.513 23.891 23.959 0.00 0.00 -ATOM 3198 H2 H2O C 394 27.086 24.000 24.382 0.00 0.00 -ATOM 3199 O1 H2O C 395 25.156 21.748 25.622 0.00 0.00 -ATOM 3200 H1 H2O C 395 25.473 22.672 25.410 0.00 0.00 -ATOM 3201 H2 H2O C 395 25.260 21.167 24.814 0.00 0.00 -ATOM 3202 O1 H2O C 396 4.910 12.818 26.120 0.00 0.00 -ATOM 3203 H1 H2O C 396 5.840 13.184 26.154 0.00 0.00 -ATOM 3204 H2 H2O C 396 4.272 13.551 25.884 0.00 0.00 -ATOM 3205 O1 H2O C 397 12.055 19.974 28.038 0.00 0.00 -ATOM 3206 H1 H2O C 397 11.198 19.464 27.971 0.00 0.00 -ATOM 3207 H2 H2O C 397 11.895 20.835 28.519 0.00 0.00 -ATOM 3208 O1 H2O C 398 27.234 25.945 30.086 0.00 0.00 -ATOM 3209 H1 H2O C 398 26.576 25.551 30.729 0.00 0.00 -ATOM 3210 H2 H2O C 398 28.086 25.423 30.119 0.00 0.00 -ATOM 3211 O1 H2O C 399 22.630 16.471 31.379 0.00 0.00 -ATOM 3212 H1 H2O C 399 23.620 16.595 31.437 0.00 0.00 -ATOM 3213 H2 H2O C 399 22.429 15.603 30.924 0.00 0.00 -ATOM 3214 O1 H2O C 400 6.188 2.340 26.036 0.00 0.00 -ATOM 3215 H1 H2O C 400 5.487 3.053 26.020 0.00 0.00 -ATOM 3216 H2 H2O C 400 6.895 2.581 26.701 0.00 0.00 -ATOM 3217 O1 H2O C 401 2.506 27.901 27.848 0.00 0.00 -ATOM 3218 H1 H2O C 401 2.441 27.947 26.851 0.00 0.00 -ATOM 3219 H2 H2O C 401 2.937 28.736 28.192 0.00 0.00 -ATOM 3220 O1 H2O C 402 1.615 4.302 28.208 0.00 0.00 -ATOM 3221 H1 H2O C 402 2.125 5.058 28.620 0.00 0.00 -ATOM 3222 H2 H2O C 402 1.645 4.384 27.212 0.00 0.00 -ATOM 3223 O1 H2O C 403 6.205 13.405 29.363 0.00 0.00 -ATOM 3224 H1 H2O C 403 5.382 13.922 29.127 0.00 0.00 -ATOM 3225 H2 H2O C 403 6.704 13.884 30.085 0.00 0.00 -ATOM 3226 O1 H2O C 404 18.377 20.010 28.509 0.00 0.00 -ATOM 3227 H1 H2O C 404 17.883 19.852 29.364 0.00 0.00 -ATOM 3228 H2 H2O C 404 19.029 19.267 28.358 0.00 0.00 -ATOM 3229 O1 H2O C 405 3.154 27.484 22.471 0.00 0.00 -ATOM 3230 H1 H2O C 405 2.833 27.975 21.660 0.00 0.00 -ATOM 3231 H2 H2O C 405 3.603 26.636 22.191 0.00 0.00 -ATOM 3232 O1 H2O C 406 10.028 15.427 26.727 0.00 0.00 -ATOM 3233 H1 H2O C 406 10.259 15.807 25.832 0.00 0.00 -ATOM 3234 H2 H2O C 406 9.724 14.480 26.619 0.00 0.00 -ATOM 3235 O1 H2O C 407 14.091 17.722 22.880 0.00 0.00 -ATOM 3236 H1 H2O C 407 13.676 17.496 23.762 0.00 0.00 -ATOM 3237 H2 H2O C 407 14.849 17.096 22.698 0.00 0.00 -ATOM 3238 O1 H2O C 408 2.170 28.862 19.776 0.00 0.00 -ATOM 3239 H1 H2O C 408 1.664 29.720 19.860 0.00 0.00 -ATOM 3240 H2 H2O C 408 3.115 29.057 19.514 0.00 0.00 -ATOM 3241 O1 H2O C 409 28.097 8.704 20.013 0.00 0.00 -ATOM 3242 H1 H2O C 409 27.194 8.276 20.045 0.00 0.00 -ATOM 3243 H2 H2O C 409 28.765 8.048 19.661 0.00 0.00 -ATOM 3244 O1 H2O C 410 8.465 19.089 24.819 0.00 0.00 -ATOM 3245 H1 H2O C 410 8.660 18.574 23.984 0.00 0.00 -ATOM 3246 H2 H2O C 410 7.548 19.483 24.761 0.00 0.00 -ATOM 3247 O1 H2O C 411 20.516 13.155 33.744 0.00 0.00 -ATOM 3248 H1 H2O C 411 21.492 13.320 33.606 0.00 0.00 -ATOM 3249 H2 H2O C 411 20.351 12.171 33.813 0.00 0.00 -ATOM 3250 O1 H2O C 412 9.148 0.655 32.412 0.00 0.00 -ATOM 3251 H1 H2O C 412 9.180 -0.179 32.962 0.00 0.00 -ATOM 3252 H2 H2O C 412 9.481 1.426 32.955 0.00 0.00 -ATOM 3253 O1 H2O C 413 3.580 2.063 32.226 0.00 0.00 -ATOM 3254 H1 H2O C 413 3.041 2.259 31.407 0.00 0.00 -ATOM 3255 H2 H2O C 413 3.309 1.175 32.599 0.00 0.00 -ATOM 3256 O1 H2O C 414 24.629 2.016 19.798 0.00 0.00 -ATOM 3257 H1 H2O C 414 23.766 2.098 20.296 0.00 0.00 -ATOM 3258 H2 H2O C 414 25.127 2.882 19.849 0.00 0.00 -ATOM 3259 O1 H2O C 415 5.766 3.755 22.596 0.00 0.00 -ATOM 3260 H1 H2O C 415 6.570 4.104 23.077 0.00 0.00 -ATOM 3261 H2 H2O C 415 5.527 2.853 22.958 0.00 0.00 -ATOM 3262 O1 H2O C 416 22.773 24.509 27.953 0.00 0.00 -ATOM 3263 H1 H2O C 416 22.182 23.723 27.771 0.00 0.00 -ATOM 3264 H2 H2O C 416 22.237 25.350 27.888 0.00 0.00 -ATOM 3265 O1 H2O C 417 15.804 6.627 19.823 0.00 0.00 -ATOM 3266 H1 H2O C 417 14.880 7.009 19.819 0.00 0.00 -ATOM 3267 H2 H2O C 417 16.443 7.306 20.184 0.00 0.00 -ATOM 3268 O1 H2O C 418 24.272 24.150 22.985 0.00 0.00 -ATOM 3269 H1 H2O C 418 24.407 24.071 21.997 0.00 0.00 -ATOM 3270 H2 H2O C 418 23.393 23.744 23.234 0.00 0.00 -ATOM 3271 O1 H2O C 419 25.457 11.470 29.681 0.00 0.00 -ATOM 3272 H1 H2O C 419 25.371 11.868 28.768 0.00 0.00 -ATOM 3273 H2 H2O C 419 25.921 10.586 29.617 0.00 0.00 -ATOM 3274 O1 H2O C 420 9.883 19.106 33.540 0.00 0.00 -ATOM 3275 H1 H2O C 420 9.444 18.456 34.160 0.00 0.00 -ATOM 3276 H2 H2O C 420 9.685 18.849 32.593 0.00 0.00 -ATOM 3277 O1 H2O C 421 10.407 9.472 31.359 0.00 0.00 -ATOM 3278 H1 H2O C 421 11.147 9.623 32.014 0.00 0.00 -ATOM 3279 H2 H2O C 421 9.563 9.877 31.710 0.00 0.00 -ATOM 3280 O1 H2O C 422 15.741 18.953 33.646 0.00 0.00 -ATOM 3281 H1 H2O C 422 15.341 19.070 32.736 0.00 0.00 -ATOM 3282 H2 H2O C 422 15.015 18.968 34.333 0.00 0.00 -ATOM 3283 O1 H2O C 423 21.493 26.728 27.092 0.00 0.00 -ATOM 3284 H1 H2O C 423 20.932 27.541 27.252 0.00 0.00 -ATOM 3285 H2 H2O C 423 21.846 26.746 26.157 0.00 0.00 -ATOM 3286 O1 H2O C 424 22.590 4.327 22.982 0.00 0.00 -ATOM 3287 H1 H2O C 424 22.433 5.230 23.383 0.00 0.00 -ATOM 3288 H2 H2O C 424 22.392 3.621 23.662 0.00 0.00 -ATOM 3289 O1 H2O C 425 20.281 10.470 33.556 0.00 0.00 -ATOM 3290 H1 H2O C 425 19.355 10.323 33.209 0.00 0.00 -ATOM 3291 H2 H2O C 425 20.711 9.586 33.743 0.00 0.00 -ATOM 3292 O1 H2O C 426 27.903 12.987 27.786 0.00 0.00 -ATOM 3293 H1 H2O C 426 28.626 12.299 27.728 0.00 0.00 -ATOM 3294 H2 H2O C 426 28.020 13.657 27.053 0.00 0.00 -ATOM 3295 O1 H2O C 427 20.049 12.565 20.005 0.00 0.00 -ATOM 3296 H1 H2O C 427 20.988 12.856 20.188 0.00 0.00 -ATOM 3297 H2 H2O C 427 20.060 11.717 19.474 0.00 0.00 -ATOM 3298 O1 H2O C 428 0.514 15.381 33.393 0.00 0.00 -ATOM 3299 H1 H2O C 428 1.476 15.454 33.653 0.00 0.00 -ATOM 3300 H2 H2O C 428 0.107 16.294 33.359 0.00 0.00 -ATOM 3301 O1 H2O C 429 23.786 0.519 22.974 0.00 0.00 -ATOM 3302 H1 H2O C 429 23.782 -0.162 22.241 0.00 0.00 -ATOM 3303 H2 H2O C 429 24.728 0.792 23.169 0.00 0.00 -ATOM 3304 O1 H2O C 430 11.264 24.280 33.174 0.00 0.00 -ATOM 3305 H1 H2O C 430 10.497 23.928 32.638 0.00 0.00 -ATOM 3306 H2 H2O C 430 11.063 25.214 33.470 0.00 0.00 -ATOM 3307 O1 H2O C 431 15.556 21.988 29.545 0.00 0.00 -ATOM 3308 H1 H2O C 431 16.421 22.491 29.524 0.00 0.00 -ATOM 3309 H2 H2O C 431 15.627 21.231 30.194 0.00 0.00 -ATOM 3310 O1 H2O C 432 2.482 19.447 25.429 0.00 0.00 -ATOM 3311 H1 H2O C 432 2.223 19.841 24.547 0.00 0.00 -ATOM 3312 H2 H2O C 432 1.848 19.762 26.134 0.00 0.00 -ATOM 3313 O1 H2O C 433 4.501 1.488 29.360 0.00 0.00 -ATOM 3314 H1 H2O C 433 5.219 2.150 29.143 0.00 0.00 -ATOM 3315 H2 H2O C 433 4.909 0.682 29.788 0.00 0.00 -ATOM 3316 O1 H2O C 434 27.975 12.976 30.429 0.00 0.00 -ATOM 3317 H1 H2O C 434 27.784 12.819 29.460 0.00 0.00 -ATOM 3318 H2 H2O C 434 27.266 13.566 30.816 0.00 0.00 -ATOM 3319 O1 H2O C 435 14.086 29.617 26.129 0.00 0.00 -ATOM 3320 H1 H2O C 435 13.506 29.974 25.396 0.00 0.00 -ATOM 3321 H2 H2O C 435 14.227 28.636 25.995 0.00 0.00 -ATOM 3322 O1 H2O C 436 17.612 20.515 22.006 0.00 0.00 -ATOM 3323 H1 H2O C 436 17.535 20.004 21.149 0.00 0.00 -ATOM 3324 H2 H2O C 436 16.909 20.204 22.644 0.00 0.00 -ATOM 3325 O1 H2O C 437 14.766 20.681 27.486 0.00 0.00 -ATOM 3326 H1 H2O C 437 15.001 21.011 28.400 0.00 0.00 -ATOM 3327 H2 H2O C 437 13.889 20.201 27.520 0.00 0.00 -ATOM 3328 O1 H2O C 438 17.445 13.209 20.284 0.00 0.00 -ATOM 3329 H1 H2O C 438 18.435 13.173 20.146 0.00 0.00 -ATOM 3330 H2 H2O C 438 17.140 12.368 20.732 0.00 0.00 -ATOM 3331 O1 H2O C 439 4.282 6.007 23.030 0.00 0.00 -ATOM 3332 H1 H2O C 439 4.846 5.231 22.751 0.00 0.00 -ATOM 3333 H2 H2O C 439 4.799 6.855 22.914 0.00 0.00 -ATOM 3334 O1 H2O C 440 14.066 25.506 33.367 0.00 0.00 -ATOM 3335 H1 H2O C 440 14.618 24.725 33.658 0.00 0.00 -ATOM 3336 H2 H2O C 440 13.122 25.210 33.218 0.00 0.00 -ATOM 3337 O1 H2O C 441 24.646 12.693 20.207 0.00 0.00 -ATOM 3338 H1 H2O C 441 25.284 13.210 19.637 0.00 0.00 -ATOM 3339 H2 H2O C 441 25.134 12.311 20.992 0.00 0.00 -ATOM 3340 O1 H2O C 442 18.598 22.677 27.098 0.00 0.00 -ATOM 3341 H1 H2O C 442 18.577 21.819 27.611 0.00 0.00 -ATOM 3342 H2 H2O C 442 17.777 22.748 26.533 0.00 0.00 -ATOM 3343 O1 H2O C 443 25.841 18.219 33.910 0.00 0.00 -ATOM 3344 H1 H2O C 443 25.634 18.126 32.936 0.00 0.00 -ATOM 3345 H2 H2O C 443 25.743 17.330 34.358 0.00 0.00 -ATOM 3346 O1 H2O C 444 27.202 8.881 33.253 0.00 0.00 -ATOM 3347 H1 H2O C 444 26.595 9.647 33.462 0.00 0.00 -ATOM 3348 H2 H2O C 444 27.744 9.096 32.441 0.00 0.00 -ATOM 3349 O1 H2O C 445 23.390 8.795 29.082 0.00 0.00 -ATOM 3350 H1 H2O C 445 23.255 7.804 29.104 0.00 0.00 -ATOM 3351 H2 H2O C 445 23.884 9.083 29.903 0.00 0.00 -ATOM 3352 O1 H2O C 446 25.269 24.820 20.100 0.00 0.00 -ATOM 3353 H1 H2O C 446 24.685 25.621 19.968 0.00 0.00 -ATOM 3354 H2 H2O C 446 24.711 23.991 20.067 0.00 0.00 -ATOM 3355 O1 H2O C 447 10.481 19.354 30.521 0.00 0.00 -ATOM 3356 H1 H2O C 447 9.710 19.770 30.039 0.00 0.00 -ATOM 3357 H2 H2O C 447 11.251 19.992 30.532 0.00 0.00 -ATOM 3358 O1 H2O C 448 9.633 0.775 27.110 0.00 0.00 -ATOM 3359 H1 H2O C 448 8.797 0.395 26.713 0.00 0.00 -ATOM 3360 H2 H2O C 448 9.529 0.844 28.102 0.00 0.00 -ATOM 3361 O1 H2O C 449 8.822 16.091 20.237 0.00 0.00 -ATOM 3362 H1 H2O C 449 8.508 15.224 19.851 0.00 0.00 -ATOM 3363 H2 H2O C 449 8.336 16.271 21.093 0.00 0.00 -ATOM 3364 O1 H2O C 450 8.577 16.504 28.841 0.00 0.00 -ATOM 3365 H1 H2O C 450 8.573 15.805 29.556 0.00 0.00 -ATOM 3366 H2 H2O C 450 9.035 16.147 28.027 0.00 0.00 -ATOM 3367 O1 H2O C 451 16.927 27.693 19.609 0.00 0.00 -ATOM 3368 H1 H2O C 451 16.065 27.236 19.826 0.00 0.00 -ATOM 3369 H2 H2O C 451 17.680 27.040 19.694 0.00 0.00 -ATOM 3370 O1 H2O C 452 15.308 24.010 23.361 0.00 0.00 -ATOM 3371 H1 H2O C 452 14.827 23.437 24.024 0.00 0.00 -ATOM 3372 H2 H2O C 452 16.215 23.626 23.185 0.00 0.00 -ATOM 3373 O1 H2O C 453 26.038 6.590 26.460 0.00 0.00 -ATOM 3374 H1 H2O C 453 26.879 6.697 25.930 0.00 0.00 -ATOM 3375 H2 H2O C 453 26.040 5.698 26.913 0.00 0.00 -ATOM 3376 O1 H2O C 454 25.788 4.513 28.090 0.00 0.00 -ATOM 3377 H1 H2O C 454 25.113 3.946 28.563 0.00 0.00 -ATOM 3378 H2 H2O C 454 26.701 4.128 28.226 0.00 0.00 -ATOM 3379 O1 H2O C 455 22.806 5.137 26.060 0.00 0.00 -ATOM 3380 H1 H2O C 455 23.568 4.709 25.573 0.00 0.00 -ATOM 3381 H2 H2O C 455 22.002 5.160 25.466 0.00 0.00 -ATOM 3382 O1 H2O C 456 26.008 11.405 32.386 0.00 0.00 -ATOM 3383 H1 H2O C 456 25.692 11.997 31.645 0.00 0.00 -ATOM 3384 H2 H2O C 456 26.931 11.676 32.660 0.00 0.00 -ATOM 3385 O1 H2O C 457 25.299 13.426 27.456 0.00 0.00 -ATOM 3386 H1 H2O C 457 24.790 14.096 27.996 0.00 0.00 -ATOM 3387 H2 H2O C 457 26.252 13.409 27.758 0.00 0.00 -ATOM 3388 O1 H2O C 458 15.853 12.655 29.555 0.00 0.00 -ATOM 3389 H1 H2O C 458 16.723 12.203 29.361 0.00 0.00 -ATOM 3390 H2 H2O C 458 15.104 12.005 29.428 0.00 0.00 -ATOM 3391 O1 H2O C 459 23.093 23.629 33.292 0.00 0.00 -ATOM 3392 H1 H2O C 459 22.152 23.857 33.541 0.00 0.00 -ATOM 3393 H2 H2O C 459 23.172 22.641 33.156 0.00 0.00 -ATOM 3394 O1 H2O C 460 10.545 3.386 26.956 0.00 0.00 -ATOM 3395 H1 H2O C 460 11.529 3.347 27.130 0.00 0.00 -ATOM 3396 H2 H2O C 460 10.189 2.458 26.841 0.00 0.00 -ATOM 3397 O1 H2O C 461 28.456 5.644 22.445 0.00 0.00 -ATOM 3398 H1 H2O C 461 29.323 5.156 22.547 0.00 0.00 -ATOM 3399 H2 H2O C 461 27.729 4.990 22.236 0.00 0.00 -ATOM 3400 O1 H2O C 462 3.163 15.498 33.574 0.00 0.00 -ATOM 3401 H1 H2O C 462 3.977 15.174 34.056 0.00 0.00 -ATOM 3402 H2 H2O C 462 3.156 15.129 32.645 0.00 0.00 -ATOM 3403 O1 H2O C 463 12.079 4.169 20.280 0.00 0.00 -ATOM 3404 H1 H2O C 463 11.805 3.232 20.063 0.00 0.00 -ATOM 3405 H2 H2O C 463 12.480 4.595 19.468 0.00 0.00 -ATOM 3406 O1 H2O C 464 16.736 3.709 29.640 0.00 0.00 -ATOM 3407 H1 H2O C 464 16.934 3.686 28.660 0.00 0.00 -ATOM 3408 H2 H2O C 464 17.085 2.877 30.070 0.00 0.00 -ATOM 3409 O1 H2O C 465 27.278 14.157 20.255 0.00 0.00 -ATOM 3410 H1 H2O C 465 27.718 13.258 20.238 0.00 0.00 -ATOM 3411 H2 H2O C 465 27.933 14.842 20.574 0.00 0.00 -ATOM 3412 O1 H2O C 466 8.838 27.921 33.651 0.00 0.00 -ATOM 3413 H1 H2O C 466 8.363 27.303 33.024 0.00 0.00 -ATOM 3414 H2 H2O C 466 9.783 27.615 33.769 0.00 0.00 -ATOM 3415 O1 H2O C 467 4.171 17.035 26.060 0.00 0.00 -ATOM 3416 H1 H2O C 467 3.953 16.082 25.849 0.00 0.00 -ATOM 3417 H2 H2O C 467 3.490 17.634 25.639 0.00 0.00 -ATOM 3418 O1 H2O C 468 19.939 23.576 19.797 0.00 0.00 -ATOM 3419 H1 H2O C 468 18.953 23.428 19.866 0.00 0.00 -ATOM 3420 H2 H2O C 468 20.404 22.694 19.717 0.00 0.00 -ATOM 3421 O1 H2O C 469 14.380 24.649 27.257 0.00 0.00 -ATOM 3422 H1 H2O C 469 14.940 25.444 27.489 0.00 0.00 -ATOM 3423 H2 H2O C 469 13.506 24.704 27.739 0.00 0.00 -ATOM 3424 O1 H2O C 470 19.300 15.861 23.890 0.00 0.00 -ATOM 3425 H1 H2O C 470 19.266 16.105 24.859 0.00 0.00 -ATOM 3426 H2 H2O C 470 19.146 16.679 23.335 0.00 0.00 -ATOM 3427 O1 H2O C 471 3.284 22.949 30.360 0.00 0.00 -ATOM 3428 H1 H2O C 471 2.649 22.235 30.064 0.00 0.00 -ATOM 3429 H2 H2O C 471 2.861 23.490 31.088 0.00 0.00 -ATOM 3430 O1 H2O C 472 1.362 10.751 23.247 0.00 0.00 -ATOM 3431 H1 H2O C 472 0.597 10.823 23.887 0.00 0.00 -ATOM 3432 H2 H2O C 472 1.324 11.510 22.597 0.00 0.00 -ATOM 3433 O1 H2O C 473 22.618 11.898 22.993 0.00 0.00 -ATOM 3434 H1 H2O C 473 22.162 12.785 22.920 0.00 0.00 -ATOM 3435 H2 H2O C 473 23.458 11.997 23.526 0.00 0.00 -ATOM 3436 O1 H2O C 474 6.084 23.366 33.425 0.00 0.00 -ATOM 3437 H1 H2O C 474 6.649 22.544 33.357 0.00 0.00 -ATOM 3438 H2 H2O C 474 5.118 23.114 33.367 0.00 0.00 -ATOM 3439 O1 H2O C 475 18.374 29.011 30.786 0.00 0.00 -ATOM 3440 H1 H2O C 475 19.118 29.317 30.193 0.00 0.00 -ATOM 3441 H2 H2O C 475 18.507 29.380 31.706 0.00 0.00 -ATOM 3442 O1 H2O C 476 8.735 17.315 22.985 0.00 0.00 -ATOM 3443 H1 H2O C 476 8.256 16.702 23.614 0.00 0.00 -ATOM 3444 H2 H2O C 476 9.722 17.222 23.117 0.00 0.00 -ATOM 3445 O1 H2O C 477 24.086 27.442 20.658 0.00 0.00 -ATOM 3446 H1 H2O C 477 24.029 27.174 21.620 0.00 0.00 -ATOM 3447 H2 H2O C 477 24.871 28.047 20.527 0.00 0.00 -ATOM 3448 O1 H2O C 478 17.112 5.336 33.858 0.00 0.00 -ATOM 3449 H1 H2O C 478 17.366 6.270 33.605 0.00 0.00 -ATOM 3450 H2 H2O C 478 16.116 5.264 33.909 0.00 0.00 -ATOM 3451 O1 H2O C 479 28.183 19.456 22.574 0.00 0.00 -ATOM 3452 H1 H2O C 479 28.757 20.274 22.530 0.00 0.00 -ATOM 3453 H2 H2O C 479 28.222 18.974 21.699 0.00 0.00 -ATOM 3454 O1 H2O C 480 8.939 0.783 19.965 0.00 0.00 -ATOM 3455 H1 H2O C 480 8.905 0.827 20.964 0.00 0.00 -ATOM 3456 H2 H2O C 480 8.193 0.207 19.632 0.00 0.00 -ATOM 3457 O1 H2O C 481 26.186 1.161 23.594 0.00 0.00 -ATOM 3458 H1 H2O C 481 26.583 0.712 24.394 0.00 0.00 -ATOM 3459 H2 H2O C 481 26.915 1.415 22.958 0.00 0.00 -ATOM 3460 O1 H2O C 482 20.073 22.704 33.471 0.00 0.00 -ATOM 3461 H1 H2O C 482 19.239 22.320 33.073 0.00 0.00 -ATOM 3462 H2 H2O C 482 19.962 23.690 33.590 0.00 0.00 -ATOM 3463 O1 H2O C 483 17.034 4.079 20.045 0.00 0.00 -ATOM 3464 H1 H2O C 483 16.226 3.531 20.264 0.00 0.00 -ATOM 3465 H2 H2O C 483 16.795 5.049 20.070 0.00 0.00 -ATOM 3466 O1 H2O C 484 27.783 7.186 24.523 0.00 0.00 -ATOM 3467 H1 H2O C 484 28.698 7.566 24.661 0.00 0.00 -ATOM 3468 H2 H2O C 484 27.807 6.523 23.775 0.00 0.00 -ATOM 3469 O1 H2O C 485 19.721 20.082 25.384 0.00 0.00 -ATOM 3470 H1 H2O C 485 20.485 19.602 25.815 0.00 0.00 -ATOM 3471 H2 H2O C 485 19.875 21.069 25.436 0.00 0.00 -ATOM 3472 O1 H2O C 486 28.603 29.483 19.828 0.00 0.00 -ATOM 3473 H1 H2O C 486 29.046 29.462 20.724 0.00 0.00 -ATOM 3474 H2 H2O C 486 29.237 29.855 19.151 0.00 0.00 -ATOM 3475 O1 H2O C 487 20.068 5.338 33.746 0.00 0.00 -ATOM 3476 H1 H2O C 487 19.214 5.761 34.049 0.00 0.00 -ATOM 3477 H2 H2O C 487 20.385 5.788 32.911 0.00 0.00 -ATOM 3478 O1 H2O C 488 3.913 14.911 28.674 0.00 0.00 -ATOM 3479 H1 H2O C 488 3.400 14.625 27.865 0.00 0.00 -ATOM 3480 H2 H2O C 488 3.792 15.893 28.815 0.00 0.00 -ATOM 3481 O1 H2O C 489 0.337 20.067 31.796 0.00 0.00 -ATOM 3482 H1 H2O C 489 -0.463 20.472 31.353 0.00 0.00 -ATOM 3483 H2 H2O C 489 0.972 19.736 31.098 0.00 0.00 -ATOM 3484 O1 H2O C 490 17.330 7.841 32.941 0.00 0.00 -ATOM 3485 H1 H2O C 490 17.831 8.629 32.585 0.00 0.00 -ATOM 3486 H2 H2O C 490 16.517 8.156 33.432 0.00 0.00 -ATOM 3487 O1 H2O C 491 17.625 13.694 23.658 0.00 0.00 -ATOM 3488 H1 H2O C 491 18.276 14.450 23.591 0.00 0.00 -ATOM 3489 H2 H2O C 491 17.978 12.905 23.155 0.00 0.00 -ATOM 3490 O1 H2O C 492 16.146 26.521 23.099 0.00 0.00 -ATOM 3491 H1 H2O C 492 15.844 25.626 23.426 0.00 0.00 -ATOM 3492 H2 H2O C 492 15.364 27.142 23.056 0.00 0.00 -ATOM 3493 O1 H2O C 493 19.908 6.470 28.758 0.00 0.00 -ATOM 3494 H1 H2O C 493 19.104 6.405 29.349 0.00 0.00 -ATOM 3495 H2 H2O C 493 19.932 5.684 28.141 0.00 0.00 -ATOM 3496 O1 H2O C 494 16.120 18.609 20.366 0.00 0.00 -ATOM 3497 H1 H2O C 494 16.882 17.962 20.341 0.00 0.00 -ATOM 3498 H2 H2O C 494 15.366 18.215 20.891 0.00 0.00 -ATOM 3499 O1 H2O C 495 6.610 6.137 24.935 0.00 0.00 -ATOM 3500 H1 H2O C 495 7.323 6.610 24.417 0.00 0.00 -ATOM 3501 H2 H2O C 495 7.032 5.469 25.549 0.00 0.00 -ATOM 3502 O1 H2O C 496 4.272 17.820 31.727 0.00 0.00 -ATOM 3503 H1 H2O C 496 5.173 17.643 31.331 0.00 0.00 -ATOM 3504 H2 H2O C 496 4.160 17.275 32.558 0.00 0.00 -ATOM 3505 O1 H2O C 497 8.354 21.714 26.114 0.00 0.00 -ATOM 3506 H1 H2O C 497 8.533 20.897 25.564 0.00 0.00 -ATOM 3507 H2 H2O C 497 7.522 22.161 25.785 0.00 0.00 -ATOM 3508 O1 H2O C 498 28.594 2.269 22.322 0.00 0.00 -ATOM 3509 H1 H2O C 498 28.862 2.814 21.528 0.00 0.00 -ATOM 3510 H2 H2O C 498 29.115 1.416 22.332 0.00 0.00 -ATOM 3511 O1 H2O C 499 11.254 19.782 19.658 0.00 0.00 -ATOM 3512 H1 H2O C 499 11.960 20.214 19.097 0.00 0.00 -ATOM 3513 H2 H2O C 499 11.014 20.387 20.417 0.00 0.00 -ATOM 3514 O1 H2O C 500 27.412 0.290 25.569 0.00 0.00 -ATOM 3515 H1 H2O C 500 27.486 -0.705 25.496 0.00 0.00 -ATOM 3516 H2 H2O C 500 28.000 0.614 26.310 0.00 0.00 -ATOM 3517 O1 H2O C 501 1.775 6.817 30.506 0.00 0.00 -ATOM 3518 H1 H2O C 501 2.510 6.196 30.779 0.00 0.00 -ATOM 3519 H2 H2O C 501 0.896 6.348 30.583 0.00 0.00 -ATOM 3520 O1 H2O C 502 18.738 16.597 26.538 0.00 0.00 -ATOM 3521 H1 H2O C 502 17.811 16.962 26.627 0.00 0.00 -ATOM 3522 H2 H2O C 502 19.350 17.084 27.160 0.00 0.00 -ATOM 3523 O1 H2O C 503 15.126 21.097 20.019 0.00 0.00 -ATOM 3524 H1 H2O C 503 15.355 20.182 19.689 0.00 0.00 -ATOM 3525 H2 H2O C 503 14.694 21.029 20.918 0.00 0.00 -ATOM 3526 O1 H2O C 504 11.385 11.761 33.097 0.00 0.00 -ATOM 3527 H1 H2O C 504 10.404 11.917 33.215 0.00 0.00 -ATOM 3528 H2 H2O C 504 11.652 10.931 33.588 0.00 0.00 -ATOM 3529 O1 H2O C 505 24.549 20.266 20.637 0.00 0.00 -ATOM 3530 H1 H2O C 505 23.961 21.035 20.384 0.00 0.00 -ATOM 3531 H2 H2O C 505 24.095 19.408 20.398 0.00 0.00 -ATOM 3532 O1 H2O C 506 11.617 27.473 33.694 0.00 0.00 -ATOM 3533 H1 H2O C 506 12.405 27.154 34.221 0.00 0.00 -ATOM 3534 H2 H2O C 506 11.863 28.305 33.196 0.00 0.00 -ATOM 3535 O1 H2O C 507 19.448 11.749 22.813 0.00 0.00 -ATOM 3536 H1 H2O C 507 20.057 12.018 23.558 0.00 0.00 -ATOM 3537 H2 H2O C 507 19.851 12.018 21.938 0.00 0.00 -ATOM 3538 O1 H2O C 508 19.637 18.785 20.086 0.00 0.00 -ATOM 3539 H1 H2O C 508 20.068 17.885 20.021 0.00 0.00 -ATOM 3540 H2 H2O C 508 19.695 19.247 19.202 0.00 0.00 -ATOM 3541 O1 H2O C 509 21.799 19.173 31.437 0.00 0.00 -ATOM 3542 H1 H2O C 509 22.149 18.238 31.385 0.00 0.00 -ATOM 3543 H2 H2O C 509 21.534 19.482 30.524 0.00 0.00 -ATOM 3544 O1 H2O C 510 13.391 2.744 26.655 0.00 0.00 -ATOM 3545 H1 H2O C 510 13.502 2.760 25.662 0.00 0.00 -ATOM 3546 H2 H2O C 510 13.860 1.945 27.030 0.00 0.00 -ATOM 3547 O1 H2O C 511 13.664 13.919 22.800 0.00 0.00 -ATOM 3548 H1 H2O C 511 13.869 13.580 21.881 0.00 0.00 -ATOM 3549 H2 H2O C 511 12.791 13.541 23.107 0.00 0.00 -ATOM 3550 O1 H2O C 512 20.386 26.678 23.934 0.00 0.00 -ATOM 3551 H1 H2O C 512 19.820 26.432 24.721 0.00 0.00 -ATOM 3552 H2 H2O C 512 20.900 27.511 24.140 0.00 0.00 -ATOM 3553 O1 H2O C 513 18.583 26.478 29.785 0.00 0.00 -ATOM 3554 H1 H2O C 513 17.924 25.733 29.890 0.00 0.00 -ATOM 3555 H2 H2O C 513 18.170 27.334 30.097 0.00 0.00 -ATOM 3556 O1 H2O C 514 -0.134 26.914 28.008 0.00 0.00 -ATOM 3557 H1 H2O C 514 0.768 27.231 28.301 0.00 0.00 -ATOM 3558 H2 H2O C 514 -0.466 27.494 27.264 0.00 0.00 -ATOM 3559 O1 H2O C 515 12.235 19.933 33.627 0.00 0.00 -ATOM 3560 H1 H2O C 515 12.579 19.000 33.732 0.00 0.00 -ATOM 3561 H2 H2O C 515 11.245 19.910 33.485 0.00 0.00 -ATOM 3562 O1 H2O C 516 25.152 17.772 27.178 0.00 0.00 -ATOM 3563 H1 H2O C 516 24.478 17.444 26.515 0.00 0.00 -ATOM 3564 H2 H2O C 516 26.049 17.829 26.739 0.00 0.00 -ATOM 3565 O1 H2O C 517 16.602 7.295 24.447 0.00 0.00 -ATOM 3566 H1 H2O C 517 15.830 6.702 24.678 0.00 0.00 -ATOM 3567 H2 H2O C 517 17.449 6.890 24.792 0.00 0.00 -ATOM 3568 O1 H2O C 518 24.928 29.209 32.409 0.00 0.00 -ATOM 3569 H1 H2O C 518 24.338 28.539 32.859 0.00 0.00 -ATOM 3570 H2 H2O C 518 24.414 29.674 31.688 0.00 0.00 -ATOM 3571 O1 H2O C 519 0.666 24.269 27.347 0.00 0.00 -ATOM 3572 H1 H2O C 519 0.248 25.101 27.711 0.00 0.00 -ATOM 3573 H2 H2O C 519 -0.047 23.592 27.161 0.00 0.00 -ATOM 3574 O1 H2O C 520 11.375 8.062 27.184 0.00 0.00 -ATOM 3575 H1 H2O C 520 12.282 8.003 27.601 0.00 0.00 -ATOM 3576 H2 H2O C 520 11.025 7.140 27.018 0.00 0.00 -ATOM 3577 O1 H2O C 521 3.059 18.039 20.220 0.00 0.00 -ATOM 3578 H1 H2O C 521 2.723 17.254 19.699 0.00 0.00 -ATOM 3579 H2 H2O C 521 4.051 18.109 20.113 0.00 0.00 -ATOM 3580 O1 H2O C 522 8.072 25.216 33.717 0.00 0.00 -ATOM 3581 H1 H2O C 522 7.857 25.794 34.504 0.00 0.00 -ATOM 3582 H2 H2O C 522 7.491 24.403 33.732 0.00 0.00 -ATOM 3583 O1 H2O C 523 16.948 0.195 28.785 0.00 0.00 -ATOM 3584 H1 H2O C 523 17.423 -0.206 29.568 0.00 0.00 -ATOM 3585 H2 H2O C 523 16.202 0.777 29.109 0.00 0.00 -END diff --git a/simulations/equilb_boxes/3x3x2.0nm_3-layer/gomc/u_n_3769/Output_data_BOX_1_restart.pdb b/simulations/equilb_boxes/3x3x2.0nm_3-layer/gomc/u_n_3769/Output_data_BOX_1_restart.pdb deleted file mode 100644 index 4cd1056..0000000 --- a/simulations/equilb_boxes/3x3x2.0nm_3-layer/gomc/u_n_3769/Output_data_BOX_1_restart.pdb +++ /dev/null @@ -1,11427 +0,0 @@ -REMARK GOMC 15.000 0.78540 0.000 50000000 -CRYST1 60.000 60.000 60.000 90.00 90.00 90.00 P 1 1 -ATOM 1 O1 H2O C 1 39.438 37.820 56.662 0.00 0.00 -ATOM 2 H1 H2O C 1 38.574 38.320 56.601 0.00 0.00 -ATOM 3 H2 H2O C 1 39.993 38.012 55.852 0.00 0.00 -ATOM 4 O1 H2O C 2 24.931 39.075 15.794 0.00 0.00 -ATOM 5 H1 H2O C 2 24.236 38.684 15.191 0.00 0.00 -ATOM 6 H2 H2O C 2 25.028 38.501 16.607 0.00 0.00 -ATOM 7 O1 H2O C 3 7.164 22.417 50.745 0.00 0.00 -ATOM 8 H1 H2O C 3 8.043 22.324 50.277 0.00 0.00 -ATOM 9 H2 H2O C 3 6.662 21.554 50.687 0.00 0.00 -ATOM 10 O1 H2O C 4 48.413 9.266 58.540 0.00 0.00 -ATOM 11 H1 H2O C 4 47.658 8.617 58.448 0.00 0.00 -ATOM 12 H2 H2O C 4 48.106 10.176 58.259 0.00 0.00 -ATOM 13 O1 H2O C 5 35.547 56.611 19.196 0.00 0.00 -ATOM 14 H1 H2O C 5 35.144 57.059 19.994 0.00 0.00 -ATOM 15 H2 H2O C 5 34.871 56.571 18.460 0.00 0.00 -ATOM 16 O1 H2O C 6 15.270 44.903 18.238 0.00 0.00 -ATOM 17 H1 H2O C 6 14.916 44.921 19.172 0.00 0.00 -ATOM 18 H2 H2O C 6 15.894 45.673 18.102 0.00 0.00 -ATOM 19 O1 H2O C 7 43.327 42.183 44.473 0.00 0.00 -ATOM 20 H1 H2O C 7 42.756 42.861 44.936 0.00 0.00 -ATOM 21 H2 H2O C 7 42.889 41.286 44.527 0.00 0.00 -ATOM 22 O1 H2O C 8 32.651 54.872 29.539 0.00 0.00 -ATOM 23 H1 H2O C 8 32.249 55.336 30.329 0.00 0.00 -ATOM 24 H2 H2O C 8 32.259 53.956 29.456 0.00 0.00 -ATOM 25 O1 H2O C 9 36.026 13.401 31.848 0.00 0.00 -ATOM 26 H1 H2O C 9 36.270 14.131 32.487 0.00 0.00 -ATOM 27 H2 H2O C 9 36.857 12.944 31.531 0.00 0.00 -ATOM 28 O1 H2O C 10 17.643 27.802 30.009 0.00 0.00 -ATOM 29 H1 H2O C 10 17.060 27.194 29.470 0.00 0.00 -ATOM 30 H2 H2O C 10 17.320 28.744 29.914 0.00 0.00 -ATOM 31 O1 H2O C 11 27.290 39.833 42.899 0.00 0.00 -ATOM 32 H1 H2O C 11 26.581 40.538 42.931 0.00 0.00 -ATOM 33 H2 H2O C 11 27.331 39.443 41.979 0.00 0.00 -ATOM 34 O1 H2O C 12 37.317 54.641 57.142 0.00 0.00 -ATOM 35 H1 H2O C 12 36.398 54.314 56.923 0.00 0.00 -ATOM 36 H2 H2O C 12 37.281 55.615 57.363 0.00 0.00 -ATOM 37 O1 H2O C 13 19.834 57.872 48.439 0.00 0.00 -ATOM 38 H1 H2O C 13 20.699 57.420 48.222 0.00 0.00 -ATOM 39 H2 H2O C 13 19.078 57.236 48.286 0.00 0.00 -ATOM 40 O1 H2O C 14 30.444 1.183 46.352 0.00 0.00 -ATOM 41 H1 H2O C 14 30.784 1.823 47.042 0.00 0.00 -ATOM 42 H2 H2O C 14 29.694 1.607 45.844 0.00 0.00 -ATOM 43 O1 H2O C 15 17.125 15.992 12.174 0.00 0.00 -ATOM 44 H1 H2O C 15 16.845 16.290 13.086 0.00 0.00 -ATOM 45 H2 H2O C 15 16.351 16.072 11.545 0.00 0.00 -ATOM 46 O1 H2O C 16 36.663 51.685 53.491 0.00 0.00 -ATOM 47 H1 H2O C 16 37.133 50.803 53.503 0.00 0.00 -ATOM 48 H2 H2O C 16 36.381 51.900 52.556 0.00 0.00 -ATOM 49 O1 H2O C 17 19.561 5.787 33.276 0.00 0.00 -ATOM 50 H1 H2O C 17 19.423 6.362 32.469 0.00 0.00 -ATOM 51 H2 H2O C 17 20.039 6.311 33.981 0.00 0.00 -ATOM 52 O1 H2O C 18 18.396 24.126 46.366 0.00 0.00 -ATOM 53 H1 H2O C 18 19.141 23.555 46.712 0.00 0.00 -ATOM 54 H2 H2O C 18 17.529 23.636 46.460 0.00 0.00 -ATOM 55 O1 H2O C 19 21.819 12.741 55.976 0.00 0.00 -ATOM 56 H1 H2O C 19 21.195 13.519 56.044 0.00 0.00 -ATOM 57 H2 H2O C 19 22.246 12.578 56.866 0.00 0.00 -ATOM 58 O1 H2O C 20 46.000 51.955 25.123 0.00 0.00 -ATOM 59 H1 H2O C 20 46.173 52.891 24.816 0.00 0.00 -ATOM 60 H2 H2O C 20 46.753 51.364 24.834 0.00 0.00 -ATOM 61 O1 H2O C 21 49.831 42.015 50.486 0.00 0.00 -ATOM 62 H1 H2O C 21 49.851 42.243 49.512 0.00 0.00 -ATOM 63 H2 H2O C 21 48.895 42.097 50.828 0.00 0.00 -ATOM 64 O1 H2O C 22 35.405 48.909 3.157 0.00 0.00 -ATOM 65 H1 H2O C 22 35.653 47.972 2.912 0.00 0.00 -ATOM 66 H2 H2O C 22 36.199 49.373 3.549 0.00 0.00 -ATOM 67 O1 H2O C 23 31.183 57.407 29.646 0.00 0.00 -ATOM 68 H1 H2O C 23 30.588 56.806 29.111 0.00 0.00 -ATOM 69 H2 H2O C 23 31.952 56.879 30.006 0.00 0.00 -ATOM 70 O1 H2O C 24 18.732 26.838 58.786 0.00 0.00 -ATOM 71 H1 H2O C 24 17.780 27.009 59.042 0.00 0.00 -ATOM 72 H2 H2O C 24 19.006 27.481 58.071 0.00 0.00 -ATOM 73 O1 H2O C 25 28.113 53.635 49.292 0.00 0.00 -ATOM 74 H1 H2O C 25 28.165 53.863 48.320 0.00 0.00 -ATOM 75 H2 H2O C 25 27.272 53.124 49.470 0.00 0.00 -ATOM 76 O1 H2O C 26 15.443 37.378 1.675 0.00 0.00 -ATOM 77 H1 H2O C 26 16.245 37.960 1.811 0.00 0.00 -ATOM 78 H2 H2O C 26 15.254 36.869 2.515 0.00 0.00 -ATOM 79 O1 H2O C 27 42.978 18.476 43.223 0.00 0.00 -ATOM 80 H1 H2O C 27 43.387 19.335 42.915 0.00 0.00 -ATOM 81 H2 H2O C 27 42.013 18.626 43.440 0.00 0.00 -ATOM 82 O1 H2O C 28 39.815 44.416 39.727 0.00 0.00 -ATOM 83 H1 H2O C 28 39.689 43.856 38.908 0.00 0.00 -ATOM 84 H2 H2O C 28 39.306 45.271 39.627 0.00 0.00 -ATOM 85 O1 H2O C 29 7.889 43.752 0.785 0.00 0.00 -ATOM 86 H1 H2O C 29 8.405 42.906 0.652 0.00 0.00 -ATOM 87 H2 H2O C 29 7.591 43.814 1.738 0.00 0.00 -ATOM 88 O1 H2O C 30 31.015 41.759 43.731 0.00 0.00 -ATOM 89 H1 H2O C 30 30.802 41.054 43.054 0.00 0.00 -ATOM 90 H2 H2O C 30 31.939 41.614 44.084 0.00 0.00 -ATOM 91 O1 H2O C 31 6.379 6.122 52.259 0.00 0.00 -ATOM 92 H1 H2O C 31 5.688 6.689 52.708 0.00 0.00 -ATOM 93 H2 H2O C 31 6.175 6.060 51.282 0.00 0.00 -ATOM 94 O1 H2O C 32 37.437 30.421 5.338 0.00 0.00 -ATOM 95 H1 H2O C 32 38.220 29.798 5.322 0.00 0.00 -ATOM 96 H2 H2O C 32 36.674 29.984 5.815 0.00 0.00 -ATOM 97 O1 H2O C 33 48.072 30.461 25.252 0.00 0.00 -ATOM 98 H1 H2O C 33 48.144 29.998 26.136 0.00 0.00 -ATOM 99 H2 H2O C 33 48.510 31.358 25.309 0.00 0.00 -ATOM 100 O1 H2O C 34 11.810 32.612 47.819 0.00 0.00 -ATOM 101 H1 H2O C 34 11.521 32.818 48.754 0.00 0.00 -ATOM 102 H2 H2O C 34 11.210 31.912 47.432 0.00 0.00 -ATOM 103 O1 H2O C 35 28.374 11.871 25.558 0.00 0.00 -ATOM 104 H1 H2O C 35 28.304 12.033 26.543 0.00 0.00 -ATOM 105 H2 H2O C 35 28.671 12.709 25.102 0.00 0.00 -ATOM 106 O1 H2O C 36 36.909 25.991 4.271 0.00 0.00 -ATOM 107 H1 H2O C 36 37.655 26.104 4.926 0.00 0.00 -ATOM 108 H2 H2O C 36 36.635 25.030 4.241 0.00 0.00 -ATOM 109 O1 H2O C 37 52.114 57.202 52.161 0.00 0.00 -ATOM 110 H1 H2O C 37 52.550 56.312 52.294 0.00 0.00 -ATOM 111 H2 H2O C 37 51.250 57.228 52.663 0.00 0.00 -ATOM 112 O1 H2O C 38 43.053 24.533 3.113 0.00 0.00 -ATOM 113 H1 H2O C 38 42.280 25.165 3.051 0.00 0.00 -ATOM 114 H2 H2O C 38 43.423 24.551 4.042 0.00 0.00 -ATOM 115 O1 H2O C 39 46.916 53.641 12.823 0.00 0.00 -ATOM 116 H1 H2O C 39 46.488 54.519 13.041 0.00 0.00 -ATOM 117 H2 H2O C 39 46.515 52.924 13.393 0.00 0.00 -ATOM 118 O1 H2O C 40 13.327 21.882 1.950 0.00 0.00 -ATOM 119 H1 H2O C 40 13.422 21.660 2.921 0.00 0.00 -ATOM 120 H2 H2O C 40 14.218 21.810 1.502 0.00 0.00 -ATOM 121 O1 H2O C 41 33.277 28.233 56.389 0.00 0.00 -ATOM 122 H1 H2O C 41 33.319 27.629 57.185 0.00 0.00 -ATOM 123 H2 H2O C 41 34.030 28.019 55.767 0.00 0.00 -ATOM 124 O1 H2O C 42 3.136 54.929 13.116 0.00 0.00 -ATOM 125 H1 H2O C 42 3.384 55.587 13.828 0.00 0.00 -ATOM 126 H2 H2O C 42 2.161 55.015 12.910 0.00 0.00 -ATOM 127 O1 H2O C 43 28.736 15.084 29.581 0.00 0.00 -ATOM 128 H1 H2O C 43 29.028 14.154 29.355 0.00 0.00 -ATOM 129 H2 H2O C 43 29.446 15.533 30.124 0.00 0.00 -ATOM 130 O1 H2O C 44 38.733 10.672 9.450 0.00 0.00 -ATOM 131 H1 H2O C 44 39.100 10.035 8.771 0.00 0.00 -ATOM 132 H2 H2O C 44 38.137 10.178 10.082 0.00 0.00 -ATOM 133 O1 H2O C 45 36.116 57.103 6.296 0.00 0.00 -ATOM 134 H1 H2O C 45 36.713 57.854 6.014 0.00 0.00 -ATOM 135 H2 H2O C 45 35.199 57.250 5.925 0.00 0.00 -ATOM 136 O1 H2O C 46 53.200 56.311 39.395 0.00 0.00 -ATOM 137 H1 H2O C 46 53.198 55.341 39.154 0.00 0.00 -ATOM 138 H2 H2O C 46 54.088 56.556 39.785 0.00 0.00 -ATOM 139 O1 H2O C 47 50.674 37.752 12.226 0.00 0.00 -ATOM 140 H1 H2O C 47 50.515 37.114 12.979 0.00 0.00 -ATOM 141 H2 H2O C 47 49.932 37.673 11.560 0.00 0.00 -ATOM 142 O1 H2O C 48 24.403 12.571 11.580 0.00 0.00 -ATOM 143 H1 H2O C 48 23.600 12.049 11.292 0.00 0.00 -ATOM 144 H2 H2O C 48 24.962 12.792 10.781 0.00 0.00 -ATOM 145 O1 H2O C 49 30.093 19.836 23.919 0.00 0.00 -ATOM 146 H1 H2O C 49 30.797 19.907 24.626 0.00 0.00 -ATOM 147 H2 H2O C 49 30.231 18.997 23.394 0.00 0.00 -ATOM 148 O1 H2O C 50 47.857 20.815 37.166 0.00 0.00 -ATOM 149 H1 H2O C 50 47.845 21.184 36.236 0.00 0.00 -ATOM 150 H2 H2O C 50 48.625 20.182 37.263 0.00 0.00 -ATOM 151 O1 H2O C 51 46.306 4.151 50.522 0.00 0.00 -ATOM 152 H1 H2O C 51 46.764 3.420 50.015 0.00 0.00 -ATOM 153 H2 H2O C 51 45.465 4.409 50.047 0.00 0.00 -ATOM 154 O1 H2O C 52 17.354 57.645 5.201 0.00 0.00 -ATOM 155 H1 H2O C 52 17.648 57.962 4.300 0.00 0.00 -ATOM 156 H2 H2O C 52 16.405 57.333 5.152 0.00 0.00 -ATOM 157 O1 H2O C 53 54.869 56.852 54.980 0.00 0.00 -ATOM 158 H1 H2O C 53 55.321 56.434 54.192 0.00 0.00 -ATOM 159 H2 H2O C 53 54.303 56.168 55.440 0.00 0.00 -ATOM 160 O1 H2O C 54 37.985 29.409 18.747 0.00 0.00 -ATOM 161 H1 H2O C 54 37.774 30.243 18.238 0.00 0.00 -ATOM 162 H2 H2O C 54 38.910 29.473 19.122 0.00 0.00 -ATOM 163 O1 H2O C 55 4.728 36.792 59.805 0.00 0.00 -ATOM 164 H1 H2O C 55 5.320 37.186 59.102 0.00 0.00 -ATOM 165 H2 H2O C 55 4.159 36.077 59.400 0.00 0.00 -ATOM 166 O1 H2O C 56 1.350 33.554 2.325 0.00 0.00 -ATOM 167 H1 H2O C 56 1.257 34.528 2.120 0.00 0.00 -ATOM 168 H2 H2O C 56 1.954 33.127 1.652 0.00 0.00 -ATOM 169 O1 H2O C 57 15.406 39.382 43.190 0.00 0.00 -ATOM 170 H1 H2O C 57 14.862 39.963 42.584 0.00 0.00 -ATOM 171 H2 H2O C 57 14.902 38.541 43.386 0.00 0.00 -ATOM 172 O1 H2O C 58 7.990 44.450 25.025 0.00 0.00 -ATOM 173 H1 H2O C 58 8.290 44.292 25.966 0.00 0.00 -ATOM 174 H2 H2O C 58 6.995 44.373 24.975 0.00 0.00 -ATOM 175 O1 H2O C 59 21.895 37.484 40.502 0.00 0.00 -ATOM 176 H1 H2O C 59 21.231 38.096 40.072 0.00 0.00 -ATOM 177 H2 H2O C 59 22.799 37.642 40.106 0.00 0.00 -ATOM 178 O1 H2O C 60 8.386 50.178 17.455 0.00 0.00 -ATOM 179 H1 H2O C 60 7.511 50.368 17.901 0.00 0.00 -ATOM 180 H2 H2O C 60 9.124 50.248 18.126 0.00 0.00 -ATOM 181 O1 H2O C 61 39.536 24.816 31.807 0.00 0.00 -ATOM 182 H1 H2O C 61 39.977 24.752 30.911 0.00 0.00 -ATOM 183 H2 H2O C 61 38.701 24.266 31.807 0.00 0.00 -ATOM 184 O1 H2O C 62 44.079 37.627 30.444 0.00 0.00 -ATOM 185 H1 H2O C 62 45.011 37.724 30.795 0.00 0.00 -ATOM 186 H2 H2O C 62 43.642 38.526 30.406 0.00 0.00 -ATOM 187 O1 H2O C 63 53.670 29.817 32.911 0.00 0.00 -ATOM 188 H1 H2O C 63 54.248 29.536 33.677 0.00 0.00 -ATOM 189 H2 H2O C 63 54.139 29.619 32.050 0.00 0.00 -ATOM 190 O1 H2O C 64 14.989 47.035 26.393 0.00 0.00 -ATOM 191 H1 H2O C 64 15.004 47.700 27.140 0.00 0.00 -ATOM 192 H2 H2O C 64 14.921 47.517 25.520 0.00 0.00 -ATOM 193 O1 H2O C 65 26.007 21.300 11.971 0.00 0.00 -ATOM 194 H1 H2O C 65 26.622 22.085 11.899 0.00 0.00 -ATOM 195 H2 H2O C 65 25.881 21.063 12.934 0.00 0.00 -ATOM 196 O1 H2O C 66 58.432 5.407 45.809 0.00 0.00 -ATOM 197 H1 H2O C 66 58.061 5.083 46.679 0.00 0.00 -ATOM 198 H2 H2O C 66 59.423 5.274 45.799 0.00 0.00 -ATOM 199 O1 H2O C 67 25.883 18.087 53.948 0.00 0.00 -ATOM 200 H1 H2O C 67 26.233 19.021 54.017 0.00 0.00 -ATOM 201 H2 H2O C 67 25.511 17.938 53.032 0.00 0.00 -ATOM 202 O1 H2O C 68 27.105 8.900 38.388 0.00 0.00 -ATOM 203 H1 H2O C 68 27.851 9.565 38.361 0.00 0.00 -ATOM 204 H2 H2O C 68 27.475 7.978 38.276 0.00 0.00 -ATOM 205 O1 H2O C 69 13.437 40.562 43.781 0.00 0.00 -ATOM 206 H1 H2O C 69 12.694 40.334 43.151 0.00 0.00 -ATOM 207 H2 H2O C 69 14.312 40.496 43.303 0.00 0.00 -ATOM 208 O1 H2O C 70 48.117 35.692 21.543 0.00 0.00 -ATOM 209 H1 H2O C 70 48.056 36.205 20.686 0.00 0.00 -ATOM 210 H2 H2O C 70 48.759 34.933 21.432 0.00 0.00 -ATOM 211 O1 H2O C 71 25.918 6.700 21.116 0.00 0.00 -ATOM 212 H1 H2O C 71 24.985 6.946 21.380 0.00 0.00 -ATOM 213 H2 H2O C 71 25.888 5.989 20.413 0.00 0.00 -ATOM 214 O1 H2O C 72 42.524 11.662 53.736 0.00 0.00 -ATOM 215 H1 H2O C 72 42.936 12.368 53.159 0.00 0.00 -ATOM 216 H2 H2O C 72 42.348 12.037 54.647 0.00 0.00 -ATOM 217 O1 H2O C 73 18.145 2.126 27.345 0.00 0.00 -ATOM 218 H1 H2O C 73 19.035 1.837 27.698 0.00 0.00 -ATOM 219 H2 H2O C 73 17.690 2.703 28.023 0.00 0.00 -ATOM 220 O1 H2O C 74 16.504 23.960 33.820 0.00 0.00 -ATOM 221 H1 H2O C 74 16.449 23.209 34.478 0.00 0.00 -ATOM 222 H2 H2O C 74 17.184 24.624 34.128 0.00 0.00 -ATOM 223 O1 H2O C 75 34.827 7.528 13.874 0.00 0.00 -ATOM 224 H1 H2O C 75 34.922 6.853 14.605 0.00 0.00 -ATOM 225 H2 H2O C 75 35.373 8.336 14.094 0.00 0.00 -ATOM 226 O1 H2O C 76 52.056 26.782 59.480 0.00 0.00 -ATOM 227 H1 H2O C 76 51.797 27.591 58.953 0.00 0.00 -ATOM 228 H2 H2O C 76 52.809 26.312 59.020 0.00 0.00 -ATOM 229 O1 H2O C 77 2.605 45.201 3.699 0.00 0.00 -ATOM 230 H1 H2O C 77 1.704 45.542 3.430 0.00 0.00 -ATOM 231 H2 H2O C 77 3.245 45.314 2.938 0.00 0.00 -ATOM 232 O1 H2O C 78 4.090 23.477 54.609 0.00 0.00 -ATOM 233 H1 H2O C 78 4.011 24.322 55.137 0.00 0.00 -ATOM 234 H2 H2O C 78 4.724 23.616 53.849 0.00 0.00 -ATOM 235 O1 H2O C 79 55.458 55.842 25.574 0.00 0.00 -ATOM 236 H1 H2O C 79 55.448 54.978 26.076 0.00 0.00 -ATOM 237 H2 H2O C 79 54.524 56.187 25.485 0.00 0.00 -ATOM 238 O1 H2O C 80 25.054 33.142 32.825 0.00 0.00 -ATOM 239 H1 H2O C 80 25.790 33.280 32.162 0.00 0.00 -ATOM 240 H2 H2O C 80 25.101 33.852 33.527 0.00 0.00 -ATOM 241 O1 H2O C 81 0.299 47.883 41.776 0.00 0.00 -ATOM 242 H1 H2O C 81 1.044 48.475 42.084 0.00 0.00 -ATOM 243 H2 H2O C 81 -0.233 48.355 41.073 0.00 0.00 -ATOM 244 O1 H2O C 82 26.884 43.544 50.170 0.00 0.00 -ATOM 245 H1 H2O C 82 26.898 42.735 49.582 0.00 0.00 -ATOM 246 H2 H2O C 82 26.880 43.258 51.129 0.00 0.00 -ATOM 247 O1 H2O C 83 38.031 2.137 19.086 0.00 0.00 -ATOM 248 H1 H2O C 83 37.513 2.114 18.230 0.00 0.00 -ATOM 249 H2 H2O C 83 38.169 3.087 19.367 0.00 0.00 -ATOM 250 O1 H2O C 84 55.152 48.133 57.359 0.00 0.00 -ATOM 251 H1 H2O C 84 54.298 48.378 57.818 0.00 0.00 -ATOM 252 H2 H2O C 84 55.891 48.086 58.032 0.00 0.00 -ATOM 253 O1 H2O C 85 25.510 34.445 41.303 0.00 0.00 -ATOM 254 H1 H2O C 85 26.412 34.777 41.578 0.00 0.00 -ATOM 255 H2 H2O C 85 24.812 34.841 41.900 0.00 0.00 -ATOM 256 O1 H2O C 86 10.002 33.535 9.389 0.00 0.00 -ATOM 257 H1 H2O C 86 10.921 33.579 9.781 0.00 0.00 -ATOM 258 H2 H2O C 86 9.488 32.798 9.828 0.00 0.00 -ATOM 259 O1 H2O C 87 44.120 7.288 23.149 0.00 0.00 -ATOM 260 H1 H2O C 87 43.348 7.516 22.555 0.00 0.00 -ATOM 261 H2 H2O C 87 44.341 8.074 23.725 0.00 0.00 -ATOM 262 O1 H2O C 88 59.206 58.580 8.231 0.00 0.00 -ATOM 263 H1 H2O C 88 59.179 58.747 9.217 0.00 0.00 -ATOM 264 H2 H2O C 88 59.171 57.596 8.059 0.00 0.00 -ATOM 265 O1 H2O C 89 32.621 58.199 38.750 0.00 0.00 -ATOM 266 H1 H2O C 89 33.566 57.895 38.627 0.00 0.00 -ATOM 267 H2 H2O C 89 32.600 58.976 39.379 0.00 0.00 -ATOM 268 O1 H2O C 90 42.502 49.326 15.252 0.00 0.00 -ATOM 269 H1 H2O C 90 42.647 50.166 15.774 0.00 0.00 -ATOM 270 H2 H2O C 90 42.235 49.557 14.316 0.00 0.00 -ATOM 271 O1 H2O C 91 56.675 26.391 18.033 0.00 0.00 -ATOM 272 H1 H2O C 91 55.775 26.373 17.598 0.00 0.00 -ATOM 273 H2 H2O C 91 56.604 26.024 18.961 0.00 0.00 -ATOM 274 O1 H2O C 92 33.003 10.963 31.229 0.00 0.00 -ATOM 275 H1 H2O C 92 32.569 11.024 30.331 0.00 0.00 -ATOM 276 H2 H2O C 92 33.585 11.764 31.373 0.00 0.00 -ATOM 277 O1 H2O C 93 53.833 47.909 45.069 0.00 0.00 -ATOM 278 H1 H2O C 93 53.921 47.467 44.177 0.00 0.00 -ATOM 279 H2 H2O C 93 53.092 47.478 45.584 0.00 0.00 -ATOM 280 O1 H2O C 94 25.180 51.428 16.991 0.00 0.00 -ATOM 281 H1 H2O C 94 24.640 52.031 16.404 0.00 0.00 -ATOM 282 H2 H2O C 94 25.406 51.904 17.841 0.00 0.00 -ATOM 283 O1 H2O C 95 41.924 41.301 10.709 0.00 0.00 -ATOM 284 H1 H2O C 95 41.975 41.004 9.755 0.00 0.00 -ATOM 285 H2 H2O C 95 41.913 40.499 11.307 0.00 0.00 -ATOM 286 O1 H2O C 96 41.224 0.608 37.427 0.00 0.00 -ATOM 287 H1 H2O C 96 40.879 -0.229 37.851 0.00 0.00 -ATOM 288 H2 H2O C 96 40.454 1.181 37.145 0.00 0.00 -ATOM 289 O1 H2O C 97 7.657 54.111 13.134 0.00 0.00 -ATOM 290 H1 H2O C 97 6.696 53.842 13.203 0.00 0.00 -ATOM 291 H2 H2O C 97 7.838 54.465 12.216 0.00 0.00 -ATOM 292 O1 H2O C 98 8.004 47.256 6.723 0.00 0.00 -ATOM 293 H1 H2O C 98 8.400 46.918 5.870 0.00 0.00 -ATOM 294 H2 H2O C 98 7.896 46.496 7.364 0.00 0.00 -ATOM 295 O1 H2O C 99 5.827 58.271 20.749 0.00 0.00 -ATOM 296 H1 H2O C 99 5.328 57.504 21.153 0.00 0.00 -ATOM 297 H2 H2O C 99 6.305 57.962 19.927 0.00 0.00 -ATOM 298 O1 H2O C 100 22.054 11.208 49.614 0.00 0.00 -ATOM 299 H1 H2O C 100 22.309 12.109 49.263 0.00 0.00 -ATOM 300 H2 H2O C 100 22.621 10.986 50.407 0.00 0.00 -ATOM 301 O1 H2O C 101 35.362 33.130 5.693 0.00 0.00 -ATOM 302 H1 H2O C 101 34.682 33.784 5.362 0.00 0.00 -ATOM 303 H2 H2O C 101 35.243 32.995 6.677 0.00 0.00 -ATOM 304 O1 H2O C 102 44.418 48.983 16.093 0.00 0.00 -ATOM 305 H1 H2O C 102 43.697 48.295 16.018 0.00 0.00 -ATOM 306 H2 H2O C 102 44.951 48.819 16.922 0.00 0.00 -ATOM 307 O1 H2O C 103 5.289 2.853 11.949 0.00 0.00 -ATOM 308 H1 H2O C 103 5.689 2.482 11.111 0.00 0.00 -ATOM 309 H2 H2O C 103 5.990 2.901 12.661 0.00 0.00 -ATOM 310 O1 H2O C 104 55.089 44.427 27.170 0.00 0.00 -ATOM 311 H1 H2O C 104 55.157 45.355 27.534 0.00 0.00 -ATOM 312 H2 H2O C 104 54.382 43.924 27.668 0.00 0.00 -ATOM 313 O1 H2O C 105 18.299 48.246 40.691 0.00 0.00 -ATOM 314 H1 H2O C 105 18.831 49.037 40.993 0.00 0.00 -ATOM 315 H2 H2O C 105 17.855 48.456 39.820 0.00 0.00 -ATOM 316 O1 H2O C 106 50.395 31.625 31.183 0.00 0.00 -ATOM 317 H1 H2O C 106 50.366 31.311 30.234 0.00 0.00 -ATOM 318 H2 H2O C 106 49.665 32.291 31.337 0.00 0.00 -ATOM 319 O1 H2O C 107 16.139 23.746 26.610 0.00 0.00 -ATOM 320 H1 H2O C 107 15.475 23.652 27.352 0.00 0.00 -ATOM 321 H2 H2O C 107 16.061 22.962 25.993 0.00 0.00 -ATOM 322 O1 H2O C 108 51.775 47.951 39.402 0.00 0.00 -ATOM 323 H1 H2O C 108 51.655 47.707 38.439 0.00 0.00 -ATOM 324 H2 H2O C 108 52.392 48.734 39.473 0.00 0.00 -ATOM 325 O1 H2O C 109 25.890 18.014 7.832 0.00 0.00 -ATOM 326 H1 H2O C 109 25.372 17.763 8.651 0.00 0.00 -ATOM 327 H2 H2O C 109 26.846 18.171 8.078 0.00 0.00 -ATOM 328 O1 H2O C 110 46.777 15.896 28.161 0.00 0.00 -ATOM 329 H1 H2O C 110 47.765 16.009 28.260 0.00 0.00 -ATOM 330 H2 H2O C 110 46.350 15.884 29.065 0.00 0.00 -ATOM 331 O1 H2O C 111 25.200 13.067 20.250 0.00 0.00 -ATOM 332 H1 H2O C 111 25.816 13.517 20.896 0.00 0.00 -ATOM 333 H2 H2O C 111 25.736 12.541 19.589 0.00 0.00 -ATOM 334 O1 H2O C 112 25.716 42.676 55.415 0.00 0.00 -ATOM 335 H1 H2O C 112 26.701 42.521 55.338 0.00 0.00 -ATOM 336 H2 H2O C 112 25.549 43.486 55.978 0.00 0.00 -ATOM 337 O1 H2O C 113 20.159 32.677 14.671 0.00 0.00 -ATOM 338 H1 H2O C 113 20.359 31.916 15.288 0.00 0.00 -ATOM 339 H2 H2O C 113 19.656 32.339 13.876 0.00 0.00 -ATOM 340 O1 H2O C 114 28.298 57.277 38.665 0.00 0.00 -ATOM 341 H1 H2O C 114 27.397 57.689 38.536 0.00 0.00 -ATOM 342 H2 H2O C 114 28.977 57.997 38.808 0.00 0.00 -ATOM 343 O1 H2O C 115 24.512 12.237 3.172 0.00 0.00 -ATOM 344 H1 H2O C 115 24.117 11.712 2.417 0.00 0.00 -ATOM 345 H2 H2O C 115 25.037 13.005 2.805 0.00 0.00 -ATOM 346 O1 H2O C 116 8.090 35.686 28.845 0.00 0.00 -ATOM 347 H1 H2O C 116 8.955 35.211 29.008 0.00 0.00 -ATOM 348 H2 H2O C 116 7.598 35.787 29.709 0.00 0.00 -ATOM 349 O1 H2O C 117 41.271 51.408 11.275 0.00 0.00 -ATOM 350 H1 H2O C 117 41.696 51.282 10.378 0.00 0.00 -ATOM 351 H2 H2O C 117 41.291 50.544 11.778 0.00 0.00 -ATOM 352 O1 H2O C 118 7.595 1.630 16.728 0.00 0.00 -ATOM 353 H1 H2O C 118 8.299 0.926 16.629 0.00 0.00 -ATOM 354 H2 H2O C 118 7.185 1.820 15.836 0.00 0.00 -ATOM 355 O1 H2O C 119 44.093 22.172 16.784 0.00 0.00 -ATOM 356 H1 H2O C 119 43.388 22.847 16.568 0.00 0.00 -ATOM 357 H2 H2O C 119 44.007 21.895 17.742 0.00 0.00 -ATOM 358 O1 H2O C 120 52.078 45.367 27.517 0.00 0.00 -ATOM 359 H1 H2O C 120 52.703 46.145 27.461 0.00 0.00 -ATOM 360 H2 H2O C 120 51.134 45.693 27.462 0.00 0.00 -ATOM 361 O1 H2O C 121 16.610 55.544 27.732 0.00 0.00 -ATOM 362 H1 H2O C 121 16.598 56.519 27.515 0.00 0.00 -ATOM 363 H2 H2O C 121 17.128 55.052 27.032 0.00 0.00 -ATOM 364 O1 H2O C 122 1.623 40.303 51.186 0.00 0.00 -ATOM 365 H1 H2O C 122 0.665 40.099 51.385 0.00 0.00 -ATOM 366 H2 H2O C 122 2.205 39.886 51.884 0.00 0.00 -ATOM 367 O1 H2O C 123 45.993 14.077 13.030 0.00 0.00 -ATOM 368 H1 H2O C 123 46.056 13.136 12.699 0.00 0.00 -ATOM 369 H2 H2O C 123 46.118 14.090 14.023 0.00 0.00 -ATOM 370 O1 H2O C 124 53.463 9.736 7.939 0.00 0.00 -ATOM 371 H1 H2O C 124 53.956 9.784 7.070 0.00 0.00 -ATOM 372 H2 H2O C 124 53.049 10.626 8.136 0.00 0.00 -ATOM 373 O1 H2O C 125 40.776 38.314 39.574 0.00 0.00 -ATOM 374 H1 H2O C 125 40.734 38.123 40.555 0.00 0.00 -ATOM 375 H2 H2O C 125 40.925 37.461 39.074 0.00 0.00 -ATOM 376 O1 H2O C 126 31.159 4.540 47.355 0.00 0.00 -ATOM 377 H1 H2O C 126 31.526 3.619 47.484 0.00 0.00 -ATOM 378 H2 H2O C 126 31.879 5.213 47.524 0.00 0.00 -ATOM 379 O1 H2O C 127 58.089 43.685 12.784 0.00 0.00 -ATOM 380 H1 H2O C 127 58.085 43.879 11.803 0.00 0.00 -ATOM 381 H2 H2O C 127 58.692 44.333 13.250 0.00 0.00 -ATOM 382 O1 H2O C 128 33.677 58.304 26.535 0.00 0.00 -ATOM 383 H1 H2O C 128 34.376 58.265 25.821 0.00 0.00 -ATOM 384 H2 H2O C 128 33.351 59.245 26.631 0.00 0.00 -ATOM 385 O1 H2O C 129 19.995 43.873 8.372 0.00 0.00 -ATOM 386 H1 H2O C 129 20.043 42.912 8.098 0.00 0.00 -ATOM 387 H2 H2O C 129 19.280 43.987 9.063 0.00 0.00 -ATOM 388 O1 H2O C 130 0.516 12.443 0.402 0.00 0.00 -ATOM 389 H1 H2O C 130 0.524 12.492 1.400 0.00 0.00 -ATOM 390 H2 H2O C 130 0.365 11.497 0.115 0.00 0.00 -ATOM 391 O1 H2O C 131 18.716 51.273 1.826 0.00 0.00 -ATOM 392 H1 H2O C 131 18.679 50.327 2.148 0.00 0.00 -ATOM 393 H2 H2O C 131 18.689 51.893 2.611 0.00 0.00 -ATOM 394 O1 H2O C 132 12.946 2.185 52.577 0.00 0.00 -ATOM 395 H1 H2O C 132 12.748 2.546 53.488 0.00 0.00 -ATOM 396 H2 H2O C 132 13.683 1.512 52.638 0.00 0.00 -ATOM 397 O1 H2O C 133 5.734 48.981 26.883 0.00 0.00 -ATOM 398 H1 H2O C 133 5.570 47.995 26.919 0.00 0.00 -ATOM 399 H2 H2O C 133 5.848 49.334 27.812 0.00 0.00 -ATOM 400 O1 H2O C 134 24.760 21.811 14.331 0.00 0.00 -ATOM 401 H1 H2O C 134 24.424 21.701 15.266 0.00 0.00 -ATOM 402 H2 H2O C 134 25.731 22.049 14.351 0.00 0.00 -ATOM 403 O1 H2O C 135 10.615 23.356 51.649 0.00 0.00 -ATOM 404 H1 H2O C 135 11.094 22.911 50.893 0.00 0.00 -ATOM 405 H2 H2O C 135 9.938 23.996 51.284 0.00 0.00 -ATOM 406 O1 H2O C 136 59.692 30.401 36.693 0.00 0.00 -ATOM 407 H1 H2O C 136 60.660 30.469 36.938 0.00 0.00 -ATOM 408 H2 H2O C 136 59.215 29.843 37.372 0.00 0.00 -ATOM 409 O1 H2O C 137 17.485 0.657 25.549 0.00 0.00 -ATOM 410 H1 H2O C 137 16.702 1.235 25.778 0.00 0.00 -ATOM 411 H2 H2O C 137 17.730 0.099 26.342 0.00 0.00 -ATOM 412 O1 H2O C 138 17.618 29.281 33.683 0.00 0.00 -ATOM 413 H1 H2O C 138 18.420 29.791 33.995 0.00 0.00 -ATOM 414 H2 H2O C 138 17.834 28.813 32.826 0.00 0.00 -ATOM 415 O1 H2O C 139 55.505 56.639 6.187 0.00 0.00 -ATOM 416 H1 H2O C 139 54.926 57.451 6.114 0.00 0.00 -ATOM 417 H2 H2O C 139 55.370 56.213 7.082 0.00 0.00 -ATOM 418 O1 H2O C 140 25.697 8.763 59.659 0.00 0.00 -ATOM 419 H1 H2O C 140 26.081 9.480 60.242 0.00 0.00 -ATOM 420 H2 H2O C 140 25.278 9.179 58.852 0.00 0.00 -ATOM 421 O1 H2O C 141 10.961 0.314 54.385 0.00 0.00 -ATOM 422 H1 H2O C 141 10.483 -0.066 53.592 0.00 0.00 -ATOM 423 H2 H2O C 141 11.942 0.140 54.298 0.00 0.00 -ATOM 424 O1 H2O C 142 31.557 29.799 53.736 0.00 0.00 -ATOM 425 H1 H2O C 142 30.765 29.356 54.155 0.00 0.00 -ATOM 426 H2 H2O C 142 32.038 30.342 54.424 0.00 0.00 -ATOM 427 O1 H2O C 143 50.367 10.737 8.459 0.00 0.00 -ATOM 428 H1 H2O C 143 50.193 10.820 9.440 0.00 0.00 -ATOM 429 H2 H2O C 143 49.777 11.372 7.960 0.00 0.00 -ATOM 430 O1 H2O C 144 57.585 28.766 52.412 0.00 0.00 -ATOM 431 H1 H2O C 144 58.204 29.192 53.071 0.00 0.00 -ATOM 432 H2 H2O C 144 57.221 29.464 51.796 0.00 0.00 -ATOM 433 O1 H2O C 145 45.405 1.033 14.394 0.00 0.00 -ATOM 434 H1 H2O C 145 44.466 0.689 14.424 0.00 0.00 -ATOM 435 H2 H2O C 145 45.526 1.598 13.578 0.00 0.00 -ATOM 436 O1 H2O C 146 18.192 46.807 15.350 0.00 0.00 -ATOM 437 H1 H2O C 146 19.090 46.473 15.637 0.00 0.00 -ATOM 438 H2 H2O C 146 17.504 46.530 16.021 0.00 0.00 -ATOM 439 O1 H2O C 147 1.995 11.600 46.958 0.00 0.00 -ATOM 440 H1 H2O C 147 1.682 12.127 46.168 0.00 0.00 -ATOM 441 H2 H2O C 147 1.264 11.553 47.639 0.00 0.00 -ATOM 442 O1 H2O C 148 4.203 56.071 13.809 0.00 0.00 -ATOM 443 H1 H2O C 148 4.580 55.211 14.155 0.00 0.00 -ATOM 444 H2 H2O C 148 3.216 56.091 13.970 0.00 0.00 -ATOM 445 O1 H2O C 149 6.842 46.801 4.871 0.00 0.00 -ATOM 446 H1 H2O C 149 6.061 47.276 5.277 0.00 0.00 -ATOM 447 H2 H2O C 149 6.624 45.832 4.762 0.00 0.00 -ATOM 448 O1 H2O C 150 30.354 37.152 58.474 0.00 0.00 -ATOM 449 H1 H2O C 150 29.974 38.070 58.585 0.00 0.00 -ATOM 450 H2 H2O C 150 30.513 36.973 57.503 0.00 0.00 -ATOM 451 O1 H2O C 151 13.374 20.217 5.446 0.00 0.00 -ATOM 452 H1 H2O C 151 13.418 20.024 6.426 0.00 0.00 -ATOM 453 H2 H2O C 151 12.694 19.621 5.019 0.00 0.00 -ATOM 454 O1 H2O C 152 30.351 16.327 2.398 0.00 0.00 -ATOM 455 H1 H2O C 152 30.108 16.097 3.340 0.00 0.00 -ATOM 456 H2 H2O C 152 31.250 16.764 2.383 0.00 0.00 -ATOM 457 O1 H2O C 153 17.850 2.440 28.476 0.00 0.00 -ATOM 458 H1 H2O C 153 18.127 2.778 29.375 0.00 0.00 -ATOM 459 H2 H2O C 153 17.819 3.202 27.828 0.00 0.00 -ATOM 460 O1 H2O C 154 28.516 0.468 30.757 0.00 0.00 -ATOM 461 H1 H2O C 154 29.236 1.120 30.992 0.00 0.00 -ATOM 462 H2 H2O C 154 27.932 0.859 30.046 0.00 0.00 -ATOM 463 O1 H2O C 155 0.860 31.702 47.749 0.00 0.00 -ATOM 464 H1 H2O C 155 -0.060 32.089 47.803 0.00 0.00 -ATOM 465 H2 H2O C 155 1.255 31.652 48.667 0.00 0.00 -ATOM 466 O1 H2O C 156 5.334 23.341 45.720 0.00 0.00 -ATOM 467 H1 H2O C 156 5.399 23.001 44.782 0.00 0.00 -ATOM 468 H2 H2O C 156 5.477 22.586 46.359 0.00 0.00 -ATOM 469 O1 H2O C 157 5.938 24.128 19.970 0.00 0.00 -ATOM 470 H1 H2O C 157 5.611 23.239 19.651 0.00 0.00 -ATOM 471 H2 H2O C 157 6.233 24.053 20.922 0.00 0.00 -ATOM 472 O1 H2O C 158 2.262 41.238 30.473 0.00 0.00 -ATOM 473 H1 H2O C 158 2.757 41.568 29.669 0.00 0.00 -ATOM 474 H2 H2O C 158 2.368 41.893 31.222 0.00 0.00 -ATOM 475 O1 H2O C 159 33.198 9.175 21.125 0.00 0.00 -ATOM 476 H1 H2O C 159 34.032 8.790 20.729 0.00 0.00 -ATOM 477 H2 H2O C 159 32.475 9.184 20.433 0.00 0.00 -ATOM 478 O1 H2O C 160 52.590 24.707 21.400 0.00 0.00 -ATOM 479 H1 H2O C 160 53.572 24.800 21.568 0.00 0.00 -ATOM 480 H2 H2O C 160 52.345 23.737 21.386 0.00 0.00 -ATOM 481 O1 H2O C 161 36.201 2.447 27.845 0.00 0.00 -ATOM 482 H1 H2O C 161 36.338 2.464 28.836 0.00 0.00 -ATOM 483 H2 H2O C 161 35.577 1.702 27.609 0.00 0.00 -ATOM 484 O1 H2O C 162 58.913 7.340 11.371 0.00 0.00 -ATOM 485 H1 H2O C 162 59.225 6.490 11.796 0.00 0.00 -ATOM 486 H2 H2O C 162 59.406 7.485 10.513 0.00 0.00 -ATOM 487 O1 H2O C 163 22.390 56.346 40.646 0.00 0.00 -ATOM 488 H1 H2O C 163 23.104 55.656 40.763 0.00 0.00 -ATOM 489 H2 H2O C 163 22.131 56.713 41.540 0.00 0.00 -ATOM 490 O1 H2O C 164 36.565 18.226 51.094 0.00 0.00 -ATOM 491 H1 H2O C 164 35.945 18.338 50.317 0.00 0.00 -ATOM 492 H2 H2O C 164 36.436 17.318 51.495 0.00 0.00 -ATOM 493 O1 H2O C 165 5.369 57.286 24.453 0.00 0.00 -ATOM 494 H1 H2O C 165 6.235 56.842 24.224 0.00 0.00 -ATOM 495 H2 H2O C 165 4.853 57.463 23.614 0.00 0.00 -ATOM 496 O1 H2O C 166 48.321 59.483 3.795 0.00 0.00 -ATOM 497 H1 H2O C 166 48.553 58.534 3.582 0.00 0.00 -ATOM 498 H2 H2O C 166 48.150 59.983 2.946 0.00 0.00 -ATOM 499 O1 H2O C 167 20.813 21.097 29.491 0.00 0.00 -ATOM 500 H1 H2O C 167 21.731 20.897 29.833 0.00 0.00 -ATOM 501 H2 H2O C 167 20.138 20.871 30.194 0.00 0.00 -ATOM 502 O1 H2O C 168 55.865 23.974 46.985 0.00 0.00 -ATOM 503 H1 H2O C 168 55.627 24.070 46.019 0.00 0.00 -ATOM 504 H2 H2O C 168 56.829 24.206 47.116 0.00 0.00 -ATOM 505 O1 H2O C 169 41.171 25.590 19.269 0.00 0.00 -ATOM 506 H1 H2O C 169 41.949 25.097 19.661 0.00 0.00 -ATOM 507 H2 H2O C 169 41.011 25.272 18.335 0.00 0.00 -ATOM 508 O1 H2O C 170 33.287 38.831 47.889 0.00 0.00 -ATOM 509 H1 H2O C 170 32.704 39.313 48.543 0.00 0.00 -ATOM 510 H2 H2O C 170 32.724 38.231 47.320 0.00 0.00 -ATOM 511 O1 H2O C 171 49.450 34.269 38.939 0.00 0.00 -ATOM 512 H1 H2O C 171 49.050 34.756 38.162 0.00 0.00 -ATOM 513 H2 H2O C 171 49.300 33.286 38.828 0.00 0.00 -ATOM 514 O1 H2O C 172 54.981 16.324 54.862 0.00 0.00 -ATOM 515 H1 H2O C 172 55.790 16.561 54.324 0.00 0.00 -ATOM 516 H2 H2O C 172 55.265 15.973 55.754 0.00 0.00 -ATOM 517 O1 H2O C 173 28.109 14.049 56.006 0.00 0.00 -ATOM 518 H1 H2O C 173 28.026 14.915 56.500 0.00 0.00 -ATOM 519 H2 H2O C 173 27.323 13.468 56.219 0.00 0.00 -ATOM 520 O1 H2O C 174 44.401 44.319 37.832 0.00 0.00 -ATOM 521 H1 H2O C 174 44.653 43.797 38.647 0.00 0.00 -ATOM 522 H2 H2O C 174 43.409 44.292 37.711 0.00 0.00 -ATOM 523 O1 H2O C 175 1.678 42.511 41.033 0.00 0.00 -ATOM 524 H1 H2O C 175 1.412 43.456 40.843 0.00 0.00 -ATOM 525 H2 H2O C 175 1.978 42.433 41.983 0.00 0.00 -ATOM 526 O1 H2O C 176 27.687 50.140 19.152 0.00 0.00 -ATOM 527 H1 H2O C 176 26.987 49.925 18.471 0.00 0.00 -ATOM 528 H2 H2O C 176 28.362 49.403 19.179 0.00 0.00 -ATOM 529 O1 H2O C 177 26.334 29.690 6.686 0.00 0.00 -ATOM 530 H1 H2O C 177 25.923 30.602 6.665 0.00 0.00 -ATOM 531 H2 H2O C 177 27.316 29.764 6.513 0.00 0.00 -ATOM 532 O1 H2O C 178 47.938 43.790 13.244 0.00 0.00 -ATOM 533 H1 H2O C 178 47.795 44.100 14.184 0.00 0.00 -ATOM 534 H2 H2O C 178 48.198 44.568 12.673 0.00 0.00 -ATOM 535 O1 H2O C 179 32.293 50.140 46.301 0.00 0.00 -ATOM 536 H1 H2O C 179 32.246 49.369 45.666 0.00 0.00 -ATOM 537 H2 H2O C 179 33.061 50.730 46.054 0.00 0.00 -ATOM 538 O1 H2O C 180 44.622 10.898 25.627 0.00 0.00 -ATOM 539 H1 H2O C 180 43.775 10.750 26.138 0.00 0.00 -ATOM 540 H2 H2O C 180 44.628 10.315 24.815 0.00 0.00 -ATOM 541 O1 H2O C 181 24.828 26.680 35.077 0.00 0.00 -ATOM 542 H1 H2O C 181 25.047 26.880 34.122 0.00 0.00 -ATOM 543 H2 H2O C 181 23.911 27.020 35.287 0.00 0.00 -ATOM 544 O1 H2O C 182 52.380 51.330 39.374 0.00 0.00 -ATOM 545 H1 H2O C 182 53.064 50.652 39.103 0.00 0.00 -ATOM 546 H2 H2O C 182 52.837 52.184 39.621 0.00 0.00 -ATOM 547 O1 H2O C 183 21.009 44.234 30.291 0.00 0.00 -ATOM 548 H1 H2O C 183 21.029 43.239 30.393 0.00 0.00 -ATOM 549 H2 H2O C 183 20.062 44.539 30.190 0.00 0.00 -ATOM 550 O1 H2O C 184 42.021 36.240 9.969 0.00 0.00 -ATOM 551 H1 H2O C 184 42.388 35.412 9.546 0.00 0.00 -ATOM 552 H2 H2O C 184 41.270 35.996 10.583 0.00 0.00 -ATOM 553 O1 H2O C 185 23.303 41.870 1.432 0.00 0.00 -ATOM 554 H1 H2O C 185 24.001 41.577 2.084 0.00 0.00 -ATOM 555 H2 H2O C 185 22.398 41.769 1.844 0.00 0.00 -ATOM 556 O1 H2O C 186 44.343 39.475 50.662 0.00 0.00 -ATOM 557 H1 H2O C 186 43.737 40.132 51.112 0.00 0.00 -ATOM 558 H2 H2O C 186 45.294 39.756 50.791 0.00 0.00 -ATOM 559 O1 H2O C 187 49.951 28.602 4.789 0.00 0.00 -ATOM 560 H1 H2O C 187 50.019 29.218 4.004 0.00 0.00 -ATOM 561 H2 H2O C 187 50.672 27.911 4.733 0.00 0.00 -ATOM 562 O1 H2O C 188 31.115 1.461 4.058 0.00 0.00 -ATOM 563 H1 H2O C 188 30.147 1.264 3.901 0.00 0.00 -ATOM 564 H2 H2O C 188 31.552 0.667 4.481 0.00 0.00 -ATOM 565 O1 H2O C 189 23.992 32.068 19.336 0.00 0.00 -ATOM 566 H1 H2O C 189 23.978 32.695 20.114 0.00 0.00 -ATOM 567 H2 H2O C 189 23.316 32.360 18.660 0.00 0.00 -ATOM 568 O1 H2O C 190 20.869 30.344 6.393 0.00 0.00 -ATOM 569 H1 H2O C 190 21.239 30.080 7.283 0.00 0.00 -ATOM 570 H2 H2O C 190 20.685 29.523 5.852 0.00 0.00 -ATOM 571 O1 H2O C 191 0.112 50.615 29.258 0.00 0.00 -ATOM 572 H1 H2O C 191 -0.079 51.344 28.601 0.00 0.00 -ATOM 573 H2 H2O C 191 0.180 49.742 28.775 0.00 0.00 -ATOM 574 O1 H2O C 192 49.700 22.167 56.701 0.00 0.00 -ATOM 575 H1 H2O C 192 48.702 22.111 56.660 0.00 0.00 -ATOM 576 H2 H2O C 192 50.059 22.393 55.795 0.00 0.00 -ATOM 577 O1 H2O C 193 28.210 2.311 47.281 0.00 0.00 -ATOM 578 H1 H2O C 193 28.178 2.009 46.328 0.00 0.00 -ATOM 579 H2 H2O C 193 27.787 3.214 47.359 0.00 0.00 -ATOM 580 O1 H2O C 194 16.406 16.838 26.181 0.00 0.00 -ATOM 581 H1 H2O C 194 17.180 17.357 25.818 0.00 0.00 -ATOM 582 H2 H2O C 194 15.797 17.455 26.680 0.00 0.00 -ATOM 583 O1 H2O C 195 9.946 18.461 39.075 0.00 0.00 -ATOM 584 H1 H2O C 195 9.176 17.935 38.714 0.00 0.00 -ATOM 585 H2 H2O C 195 10.211 18.094 39.967 0.00 0.00 -ATOM 586 O1 H2O C 196 33.391 2.115 0.400 0.00 0.00 -ATOM 587 H1 H2O C 196 34.094 1.530 -0.003 0.00 0.00 -ATOM 588 H2 H2O C 196 33.059 1.701 1.248 0.00 0.00 -ATOM 589 O1 H2O C 197 12.767 59.582 30.921 0.00 0.00 -ATOM 590 H1 H2O C 197 12.712 60.567 30.758 0.00 0.00 -ATOM 591 H2 H2O C 197 13.060 59.415 31.862 0.00 0.00 -ATOM 592 O1 H2O C 198 12.221 9.852 23.189 0.00 0.00 -ATOM 593 H1 H2O C 198 12.877 9.100 23.253 0.00 0.00 -ATOM 594 H2 H2O C 198 11.915 9.948 22.242 0.00 0.00 -ATOM 595 O1 H2O C 199 23.310 4.508 20.939 0.00 0.00 -ATOM 596 H1 H2O C 199 22.453 4.133 20.586 0.00 0.00 -ATOM 597 H2 H2O C 199 24.034 4.381 20.261 0.00 0.00 -ATOM 598 O1 H2O C 200 9.945 38.677 15.931 0.00 0.00 -ATOM 599 H1 H2O C 200 9.011 39.013 16.056 0.00 0.00 -ATOM 600 H2 H2O C 200 10.105 37.903 16.544 0.00 0.00 -ATOM 601 O1 H2O C 201 4.177 18.201 56.304 0.00 0.00 -ATOM 602 H1 H2O C 201 4.253 18.981 56.925 0.00 0.00 -ATOM 603 H2 H2O C 201 3.239 17.854 56.320 0.00 0.00 -ATOM 604 O1 H2O C 202 11.760 55.783 10.629 0.00 0.00 -ATOM 605 H1 H2O C 202 11.337 56.163 11.451 0.00 0.00 -ATOM 606 H2 H2O C 202 11.640 54.790 10.622 0.00 0.00 -ATOM 607 O1 H2O C 203 32.834 2.625 40.349 0.00 0.00 -ATOM 608 H1 H2O C 203 32.261 1.806 40.381 0.00 0.00 -ATOM 609 H2 H2O C 203 32.265 3.435 40.488 0.00 0.00 -ATOM 610 O1 H2O C 204 46.219 51.727 35.530 0.00 0.00 -ATOM 611 H1 H2O C 204 45.523 51.744 36.248 0.00 0.00 -ATOM 612 H2 H2O C 204 46.762 52.566 35.573 0.00 0.00 -ATOM 613 O1 H2O C 205 10.176 5.687 6.958 0.00 0.00 -ATOM 614 H1 H2O C 205 9.276 6.098 7.103 0.00 0.00 -ATOM 615 H2 H2O C 205 10.858 6.179 7.499 0.00 0.00 -ATOM 616 O1 H2O C 206 49.383 8.223 46.602 0.00 0.00 -ATOM 617 H1 H2O C 206 48.894 9.027 46.940 0.00 0.00 -ATOM 618 H2 H2O C 206 50.099 7.970 47.252 0.00 0.00 -ATOM 619 O1 H2O C 207 21.136 47.314 32.955 0.00 0.00 -ATOM 620 H1 H2O C 207 21.260 46.380 33.291 0.00 0.00 -ATOM 621 H2 H2O C 207 20.160 47.503 32.847 0.00 0.00 -ATOM 622 O1 H2O C 208 8.912 34.885 58.206 0.00 0.00 -ATOM 623 H1 H2O C 208 9.589 34.202 58.480 0.00 0.00 -ATOM 624 H2 H2O C 208 9.193 35.786 58.538 0.00 0.00 -ATOM 625 O1 H2O C 209 42.380 56.498 0.813 0.00 0.00 -ATOM 626 H1 H2O C 209 42.116 57.389 0.443 0.00 0.00 -ATOM 627 H2 H2O C 209 43.209 56.179 0.352 0.00 0.00 -ATOM 628 O1 H2O C 210 29.297 21.533 2.628 0.00 0.00 -ATOM 629 H1 H2O C 210 29.623 21.883 3.506 0.00 0.00 -ATOM 630 H2 H2O C 210 28.517 20.925 2.781 0.00 0.00 -ATOM 631 O1 H2O C 211 11.212 19.394 34.884 0.00 0.00 -ATOM 632 H1 H2O C 211 11.196 19.837 35.780 0.00 0.00 -ATOM 633 H2 H2O C 211 10.592 18.609 34.889 0.00 0.00 -ATOM 634 O1 H2O C 212 50.480 28.038 6.306 0.00 0.00 -ATOM 635 H1 H2O C 212 50.090 28.882 5.939 0.00 0.00 -ATOM 636 H2 H2O C 212 51.226 28.261 6.934 0.00 0.00 -ATOM 637 O1 H2O C 213 26.618 34.442 31.976 0.00 0.00 -ATOM 638 H1 H2O C 213 27.396 35.046 31.799 0.00 0.00 -ATOM 639 H2 H2O C 213 26.264 34.093 31.109 0.00 0.00 -ATOM 640 O1 H2O C 214 50.832 47.049 11.958 0.00 0.00 -ATOM 641 H1 H2O C 214 49.904 47.252 11.647 0.00 0.00 -ATOM 642 H2 H2O C 214 51.485 47.611 11.451 0.00 0.00 -ATOM 643 O1 H2O C 215 16.044 58.999 18.306 0.00 0.00 -ATOM 644 H1 H2O C 215 15.802 59.591 17.538 0.00 0.00 -ATOM 645 H2 H2O C 215 16.766 58.366 18.025 0.00 0.00 -ATOM 646 O1 H2O C 216 41.503 39.651 55.581 0.00 0.00 -ATOM 647 H1 H2O C 216 41.971 40.510 55.375 0.00 0.00 -ATOM 648 H2 H2O C 216 41.819 38.940 54.952 0.00 0.00 -ATOM 649 O1 H2O C 217 32.886 16.955 1.759 0.00 0.00 -ATOM 650 H1 H2O C 217 33.040 16.897 0.772 0.00 0.00 -ATOM 651 H2 H2O C 217 33.035 16.057 2.173 0.00 0.00 -ATOM 652 O1 H2O C 218 10.630 12.979 46.977 0.00 0.00 -ATOM 653 H1 H2O C 218 11.566 12.634 46.913 0.00 0.00 -ATOM 654 H2 H2O C 218 10.279 13.162 46.058 0.00 0.00 -ATOM 655 O1 H2O C 219 12.818 51.023 11.203 0.00 0.00 -ATOM 656 H1 H2O C 219 13.390 51.841 11.141 0.00 0.00 -ATOM 657 H2 H2O C 219 12.893 50.632 12.121 0.00 0.00 -ATOM 658 O1 H2O C 220 31.641 40.021 2.650 0.00 0.00 -ATOM 659 H1 H2O C 220 32.588 39.710 2.725 0.00 0.00 -ATOM 660 H2 H2O C 220 31.056 39.251 2.394 0.00 0.00 -ATOM 661 O1 H2O C 221 47.128 24.365 42.395 0.00 0.00 -ATOM 662 H1 H2O C 221 47.153 23.402 42.130 0.00 0.00 -ATOM 663 H2 H2O C 221 47.916 24.571 42.976 0.00 0.00 -ATOM 664 O1 H2O C 222 4.225 42.160 44.510 0.00 0.00 -ATOM 665 H1 H2O C 222 3.608 41.399 44.308 0.00 0.00 -ATOM 666 H2 H2O C 222 4.237 42.792 43.734 0.00 0.00 -ATOM 667 O1 H2O C 223 34.007 30.092 48.898 0.00 0.00 -ATOM 668 H1 H2O C 223 34.141 29.150 49.205 0.00 0.00 -ATOM 669 H2 H2O C 223 34.866 30.449 48.531 0.00 0.00 -ATOM 670 O1 H2O C 224 0.185 42.074 14.730 0.00 0.00 -ATOM 671 H1 H2O C 224 -0.377 42.900 14.763 0.00 0.00 -ATOM 672 H2 H2O C 224 0.451 41.889 13.784 0.00 0.00 -ATOM 673 O1 H2O C 225 54.858 33.951 41.902 0.00 0.00 -ATOM 674 H1 H2O C 225 55.054 32.977 41.787 0.00 0.00 -ATOM 675 H2 H2O C 225 53.889 34.073 42.116 0.00 0.00 -ATOM 676 O1 H2O C 226 20.216 34.997 15.781 0.00 0.00 -ATOM 677 H1 H2O C 226 19.515 34.496 15.274 0.00 0.00 -ATOM 678 H2 H2O C 226 21.119 34.764 15.420 0.00 0.00 -ATOM 679 O1 H2O C 227 11.683 52.479 29.591 0.00 0.00 -ATOM 680 H1 H2O C 227 12.547 52.300 30.062 0.00 0.00 -ATOM 681 H2 H2O C 227 11.818 52.401 28.604 0.00 0.00 -ATOM 682 O1 H2O C 228 37.183 59.236 15.109 0.00 0.00 -ATOM 683 H1 H2O C 228 36.445 58.993 15.738 0.00 0.00 -ATOM 684 H2 H2O C 228 37.692 60.014 15.477 0.00 0.00 -ATOM 685 O1 H2O C 229 13.456 6.386 54.947 0.00 0.00 -ATOM 686 H1 H2O C 229 14.115 7.075 54.644 0.00 0.00 -ATOM 687 H2 H2O C 229 13.746 5.484 54.625 0.00 0.00 -ATOM 688 O1 H2O C 230 13.969 32.273 48.695 0.00 0.00 -ATOM 689 H1 H2O C 230 14.683 32.752 48.185 0.00 0.00 -ATOM 690 H2 H2O C 230 13.167 32.865 48.781 0.00 0.00 -ATOM 691 O1 H2O C 231 24.750 55.600 23.124 0.00 0.00 -ATOM 692 H1 H2O C 231 24.276 55.868 23.963 0.00 0.00 -ATOM 693 H2 H2O C 231 25.254 56.384 22.761 0.00 0.00 -ATOM 694 O1 H2O C 232 35.823 51.820 14.780 0.00 0.00 -ATOM 695 H1 H2O C 232 34.923 51.605 15.160 0.00 0.00 -ATOM 696 H2 H2O C 232 36.208 51.002 14.353 0.00 0.00 -ATOM 697 O1 H2O C 233 28.639 37.764 23.311 0.00 0.00 -ATOM 698 H1 H2O C 233 28.349 38.721 23.341 0.00 0.00 -ATOM 699 H2 H2O C 233 29.404 37.669 22.673 0.00 0.00 -ATOM 700 O1 H2O C 234 56.485 3.905 48.848 0.00 0.00 -ATOM 701 H1 H2O C 234 57.130 3.142 48.867 0.00 0.00 -ATOM 702 H2 H2O C 234 56.988 4.765 48.760 0.00 0.00 -ATOM 703 O1 H2O C 235 2.900 60.056 40.809 0.00 0.00 -ATOM 704 H1 H2O C 235 2.785 59.455 40.018 0.00 0.00 -ATOM 705 H2 H2O C 235 2.829 59.518 41.649 0.00 0.00 -ATOM 706 O1 H2O C 236 28.757 12.723 9.318 0.00 0.00 -ATOM 707 H1 H2O C 236 28.292 12.474 10.168 0.00 0.00 -ATOM 708 H2 H2O C 236 29.697 12.383 9.340 0.00 0.00 -ATOM 709 O1 H2O C 237 47.838 11.456 8.729 0.00 0.00 -ATOM 710 H1 H2O C 237 47.463 12.379 8.637 0.00 0.00 -ATOM 711 H2 H2O C 237 47.142 10.852 9.117 0.00 0.00 -ATOM 712 O1 H2O C 238 16.653 1.306 30.607 0.00 0.00 -ATOM 713 H1 H2O C 238 16.950 2.246 30.780 0.00 0.00 -ATOM 714 H2 H2O C 238 16.934 1.033 29.686 0.00 0.00 -ATOM 715 O1 H2O C 239 34.964 43.144 39.387 0.00 0.00 -ATOM 716 H1 H2O C 239 34.772 43.573 38.504 0.00 0.00 -ATOM 717 H2 H2O C 239 35.623 42.402 39.260 0.00 0.00 -ATOM 718 O1 H2O C 240 55.347 39.246 27.753 0.00 0.00 -ATOM 719 H1 H2O C 240 54.382 39.361 27.989 0.00 0.00 -ATOM 720 H2 H2O C 240 55.457 38.429 27.188 0.00 0.00 -ATOM 721 O1 H2O C 241 31.391 37.609 18.138 0.00 0.00 -ATOM 722 H1 H2O C 241 31.334 37.091 18.991 0.00 0.00 -ATOM 723 H2 H2O C 241 31.459 38.585 18.345 0.00 0.00 -ATOM 724 O1 H2O C 242 32.522 38.792 9.640 0.00 0.00 -ATOM 725 H1 H2O C 242 31.836 39.501 9.800 0.00 0.00 -ATOM 726 H2 H2O C 242 32.956 38.546 10.507 0.00 0.00 -ATOM 727 O1 H2O C 243 42.656 47.594 8.682 0.00 0.00 -ATOM 728 H1 H2O C 243 42.254 46.681 8.759 0.00 0.00 -ATOM 729 H2 H2O C 243 42.462 47.968 7.775 0.00 0.00 -ATOM 730 O1 H2O C 244 13.621 50.440 18.982 0.00 0.00 -ATOM 731 H1 H2O C 244 12.805 50.934 19.281 0.00 0.00 -ATOM 732 H2 H2O C 244 14.292 50.424 19.723 0.00 0.00 -ATOM 733 O1 H2O C 245 1.524 46.402 12.330 0.00 0.00 -ATOM 734 H1 H2O C 245 1.264 46.884 13.166 0.00 0.00 -ATOM 735 H2 H2O C 245 0.702 46.075 11.864 0.00 0.00 -ATOM 736 O1 H2O C 246 49.897 23.602 59.854 0.00 0.00 -ATOM 737 H1 H2O C 246 49.364 24.232 60.419 0.00 0.00 -ATOM 738 H2 H2O C 246 50.599 24.113 59.357 0.00 0.00 -ATOM 739 O1 H2O C 247 37.047 28.285 41.205 0.00 0.00 -ATOM 740 H1 H2O C 247 36.187 28.542 41.645 0.00 0.00 -ATOM 741 H2 H2O C 247 37.812 28.525 41.803 0.00 0.00 -ATOM 742 O1 H2O C 248 21.658 44.322 1.142 0.00 0.00 -ATOM 743 H1 H2O C 248 21.990 43.558 0.588 0.00 0.00 -ATOM 744 H2 H2O C 248 21.234 45.005 0.548 0.00 0.00 -ATOM 745 O1 H2O C 249 34.877 50.501 1.364 0.00 0.00 -ATOM 746 H1 H2O C 249 35.242 50.102 2.205 0.00 0.00 -ATOM 747 H2 H2O C 249 34.156 49.910 1.001 0.00 0.00 -ATOM 748 O1 H2O C 250 3.788 7.013 21.814 0.00 0.00 -ATOM 749 H1 H2O C 250 3.880 6.019 21.754 0.00 0.00 -ATOM 750 H2 H2O C 250 4.205 7.335 22.664 0.00 0.00 -ATOM 751 O1 H2O C 251 50.081 13.312 17.133 0.00 0.00 -ATOM 752 H1 H2O C 251 49.115 13.150 17.335 0.00 0.00 -ATOM 753 H2 H2O C 251 50.209 14.265 16.861 0.00 0.00 -ATOM 754 O1 H2O C 252 6.160 44.638 3.632 0.00 0.00 -ATOM 755 H1 H2O C 252 6.671 45.431 3.296 0.00 0.00 -ATOM 756 H2 H2O C 252 6.801 43.944 3.960 0.00 0.00 -ATOM 757 O1 H2O C 253 22.070 31.506 45.215 0.00 0.00 -ATOM 758 H1 H2O C 253 22.245 31.841 46.141 0.00 0.00 -ATOM 759 H2 H2O C 253 22.701 31.946 44.576 0.00 0.00 -ATOM 760 O1 H2O C 254 26.014 5.034 28.457 0.00 0.00 -ATOM 761 H1 H2O C 254 26.936 4.778 28.167 0.00 0.00 -ATOM 762 H2 H2O C 254 26.026 5.963 28.826 0.00 0.00 -ATOM 763 O1 H2O C 255 14.980 4.495 58.597 0.00 0.00 -ATOM 764 H1 H2O C 255 15.057 4.078 57.692 0.00 0.00 -ATOM 765 H2 H2O C 255 14.014 4.612 58.829 0.00 0.00 -ATOM 766 O1 H2O C 256 1.096 14.287 10.748 0.00 0.00 -ATOM 767 H1 H2O C 256 1.367 13.811 11.585 0.00 0.00 -ATOM 768 H2 H2O C 256 1.788 14.140 10.042 0.00 0.00 -ATOM 769 O1 H2O C 257 47.140 50.008 55.841 0.00 0.00 -ATOM 770 H1 H2O C 257 47.524 49.941 54.920 0.00 0.00 -ATOM 771 H2 H2O C 257 47.740 49.536 56.488 0.00 0.00 -ATOM 772 O1 H2O C 258 35.024 30.968 15.372 0.00 0.00 -ATOM 773 H1 H2O C 258 34.656 30.125 14.978 0.00 0.00 -ATOM 774 H2 H2O C 258 35.591 31.434 14.693 0.00 0.00 -ATOM 775 O1 H2O C 259 53.116 7.815 22.807 0.00 0.00 -ATOM 776 H1 H2O C 259 53.535 7.206 22.133 0.00 0.00 -ATOM 777 H2 H2O C 259 52.143 7.597 22.894 0.00 0.00 -ATOM 778 O1 H2O C 260 30.865 10.451 51.768 0.00 0.00 -ATOM 779 H1 H2O C 260 30.926 9.453 51.740 0.00 0.00 -ATOM 780 H2 H2O C 260 31.481 10.804 52.473 0.00 0.00 -ATOM 781 O1 H2O C 261 7.993 19.540 49.285 0.00 0.00 -ATOM 782 H1 H2O C 261 8.869 19.648 49.754 0.00 0.00 -ATOM 783 H2 H2O C 261 7.330 20.185 49.665 0.00 0.00 -ATOM 784 O1 H2O C 262 47.757 38.206 41.930 0.00 0.00 -ATOM 785 H1 H2O C 262 48.255 39.072 41.884 0.00 0.00 -ATOM 786 H2 H2O C 262 47.591 37.867 41.004 0.00 0.00 -ATOM 787 O1 H2O C 263 33.628 1.224 57.875 0.00 0.00 -ATOM 788 H1 H2O C 263 33.917 0.267 57.887 0.00 0.00 -ATOM 789 H2 H2O C 263 34.218 1.758 58.481 0.00 0.00 -ATOM 790 O1 H2O C 264 38.996 2.680 46.608 0.00 0.00 -ATOM 791 H1 H2O C 264 38.699 2.294 47.482 0.00 0.00 -ATOM 792 H2 H2O C 264 39.015 3.678 46.674 0.00 0.00 -ATOM 793 O1 H2O C 265 46.265 18.182 38.611 0.00 0.00 -ATOM 794 H1 H2O C 265 45.789 17.326 38.813 0.00 0.00 -ATOM 795 H2 H2O C 265 45.862 18.922 39.149 0.00 0.00 -ATOM 796 O1 H2O C 266 23.290 18.300 17.869 0.00 0.00 -ATOM 797 H1 H2O C 266 23.697 18.274 16.956 0.00 0.00 -ATOM 798 H2 H2O C 266 22.295 18.251 17.792 0.00 0.00 -ATOM 799 O1 H2O C 267 28.604 6.423 8.702 0.00 0.00 -ATOM 800 H1 H2O C 267 27.879 7.109 8.761 0.00 0.00 -ATOM 801 H2 H2O C 267 29.453 6.860 8.404 0.00 0.00 -ATOM 802 O1 H2O C 268 10.559 7.083 50.639 0.00 0.00 -ATOM 803 H1 H2O C 268 10.643 6.358 51.323 0.00 0.00 -ATOM 804 H2 H2O C 268 10.351 7.949 51.094 0.00 0.00 -ATOM 805 O1 H2O C 269 30.860 52.991 3.771 0.00 0.00 -ATOM 806 H1 H2O C 269 30.855 53.574 2.959 0.00 0.00 -ATOM 807 H2 H2O C 269 31.488 53.370 4.450 0.00 0.00 -ATOM 808 O1 H2O C 270 22.219 54.236 19.512 0.00 0.00 -ATOM 809 H1 H2O C 270 23.198 54.422 19.427 0.00 0.00 -ATOM 810 H2 H2O C 270 21.951 54.289 20.474 0.00 0.00 -ATOM 811 O1 H2O C 271 5.655 27.377 43.167 0.00 0.00 -ATOM 812 H1 H2O C 271 4.835 27.350 43.739 0.00 0.00 -ATOM 813 H2 H2O C 271 5.445 27.000 42.265 0.00 0.00 -ATOM 814 O1 H2O C 272 43.692 21.585 49.339 0.00 0.00 -ATOM 815 H1 H2O C 272 44.508 22.071 49.654 0.00 0.00 -ATOM 816 H2 H2O C 272 42.949 21.724 49.995 0.00 0.00 -ATOM 817 O1 H2O C 273 40.988 53.413 43.809 0.00 0.00 -ATOM 818 H1 H2O C 273 40.821 53.781 42.894 0.00 0.00 -ATOM 819 H2 H2O C 273 40.661 54.064 44.494 0.00 0.00 -ATOM 820 O1 H2O C 274 54.728 1.673 1.508 0.00 0.00 -ATOM 821 H1 H2O C 274 55.655 1.586 1.144 0.00 0.00 -ATOM 822 H2 H2O C 274 54.701 1.308 2.439 0.00 0.00 -ATOM 823 O1 H2O C 275 38.468 4.864 53.035 0.00 0.00 -ATOM 824 H1 H2O C 275 38.633 3.930 53.353 0.00 0.00 -ATOM 825 H2 H2O C 275 39.322 5.383 53.067 0.00 0.00 -ATOM 826 O1 H2O C 276 42.274 57.318 57.867 0.00 0.00 -ATOM 827 H1 H2O C 276 43.175 56.898 57.977 0.00 0.00 -ATOM 828 H2 H2O C 276 42.273 58.222 58.294 0.00 0.00 -ATOM 829 O1 H2O C 277 14.304 36.328 34.962 0.00 0.00 -ATOM 830 H1 H2O C 277 14.765 36.907 34.290 0.00 0.00 -ATOM 831 H2 H2O C 277 14.659 35.396 34.898 0.00 0.00 -ATOM 832 O1 H2O C 278 20.701 25.627 12.786 0.00 0.00 -ATOM 833 H1 H2O C 278 21.468 25.785 12.165 0.00 0.00 -ATOM 834 H2 H2O C 278 20.983 25.000 13.512 0.00 0.00 -ATOM 835 O1 H2O C 279 57.707 28.929 53.625 0.00 0.00 -ATOM 836 H1 H2O C 279 57.483 29.464 52.811 0.00 0.00 -ATOM 837 H2 H2O C 279 57.240 29.320 54.419 0.00 0.00 -ATOM 838 O1 H2O C 280 1.102 38.726 1.903 0.00 0.00 -ATOM 839 H1 H2O C 280 1.791 39.194 1.350 0.00 0.00 -ATOM 840 H2 H2O C 280 1.004 37.783 1.586 0.00 0.00 -ATOM 841 O1 H2O C 281 36.769 38.014 13.084 0.00 0.00 -ATOM 842 H1 H2O C 281 36.228 38.772 13.452 0.00 0.00 -ATOM 843 H2 H2O C 281 37.255 37.559 13.831 0.00 0.00 -ATOM 844 O1 H2O C 282 45.408 42.957 21.621 0.00 0.00 -ATOM 845 H1 H2O C 282 44.867 42.758 22.439 0.00 0.00 -ATOM 846 H2 H2O C 282 45.650 42.101 21.165 0.00 0.00 -ATOM 847 O1 H2O C 283 12.066 24.508 0.259 0.00 0.00 -ATOM 848 H1 H2O C 283 12.936 24.642 -0.216 0.00 0.00 -ATOM 849 H2 H2O C 283 12.233 24.077 1.145 0.00 0.00 -ATOM 850 O1 H2O C 284 50.453 17.139 16.028 0.00 0.00 -ATOM 851 H1 H2O C 284 49.687 16.496 16.026 0.00 0.00 -ATOM 852 H2 H2O C 284 50.158 18.009 15.631 0.00 0.00 -ATOM 853 O1 H2O C 285 47.355 1.682 10.767 0.00 0.00 -ATOM 854 H1 H2O C 285 47.279 2.679 10.779 0.00 0.00 -ATOM 855 H2 H2O C 285 47.525 1.350 11.695 0.00 0.00 -ATOM 856 O1 H2O C 286 51.093 21.017 54.339 0.00 0.00 -ATOM 857 H1 H2O C 286 50.494 20.336 53.918 0.00 0.00 -ATOM 858 H2 H2O C 286 51.532 21.562 53.625 0.00 0.00 -ATOM 859 O1 H2O C 287 51.346 10.351 24.214 0.00 0.00 -ATOM 860 H1 H2O C 287 51.966 10.786 24.866 0.00 0.00 -ATOM 861 H2 H2O C 287 50.437 10.759 24.295 0.00 0.00 -ATOM 862 O1 H2O C 288 56.600 9.748 4.562 0.00 0.00 -ATOM 863 H1 H2O C 288 56.201 10.172 3.749 0.00 0.00 -ATOM 864 H2 H2O C 288 57.063 10.446 5.108 0.00 0.00 -ATOM 865 O1 H2O C 289 18.025 34.120 2.411 0.00 0.00 -ATOM 866 H1 H2O C 289 18.943 33.755 2.250 0.00 0.00 -ATOM 867 H2 H2O C 289 18.030 35.109 2.266 0.00 0.00 -ATOM 868 O1 H2O C 290 33.280 51.921 52.889 0.00 0.00 -ATOM 869 H1 H2O C 290 33.297 51.408 52.031 0.00 0.00 -ATOM 870 H2 H2O C 290 32.992 52.861 52.710 0.00 0.00 -ATOM 871 O1 H2O C 291 4.797 12.507 16.616 0.00 0.00 -ATOM 872 H1 H2O C 291 4.037 12.362 17.249 0.00 0.00 -ATOM 873 H2 H2O C 291 4.792 11.789 15.919 0.00 0.00 -ATOM 874 O1 H2O C 292 59.408 32.729 24.965 0.00 0.00 -ATOM 875 H1 H2O C 292 59.819 33.454 25.518 0.00 0.00 -ATOM 876 H2 H2O C 292 58.447 32.944 24.793 0.00 0.00 -ATOM 877 O1 H2O C 293 2.699 6.488 2.680 0.00 0.00 -ATOM 878 H1 H2O C 293 3.129 6.304 1.796 0.00 0.00 -ATOM 879 H2 H2O C 293 2.143 5.702 2.950 0.00 0.00 -ATOM 880 O1 H2O C 294 39.162 9.653 19.629 0.00 0.00 -ATOM 881 H1 H2O C 294 39.950 9.993 20.143 0.00 0.00 -ATOM 882 H2 H2O C 294 38.643 9.015 20.197 0.00 0.00 -ATOM 883 O1 H2O C 295 51.768 28.262 1.692 0.00 0.00 -ATOM 884 H1 H2O C 295 52.635 28.274 2.190 0.00 0.00 -ATOM 885 H2 H2O C 295 51.915 28.592 0.759 0.00 0.00 -ATOM 886 O1 H2O C 296 58.867 12.817 40.527 0.00 0.00 -ATOM 887 H1 H2O C 296 58.648 13.575 41.142 0.00 0.00 -ATOM 888 H2 H2O C 296 58.065 12.228 40.425 0.00 0.00 -ATOM 889 O1 H2O C 297 21.552 15.163 26.669 0.00 0.00 -ATOM 890 H1 H2O C 297 22.237 14.442 26.565 0.00 0.00 -ATOM 891 H2 H2O C 297 20.666 14.830 26.346 0.00 0.00 -ATOM 892 O1 H2O C 298 42.729 33.003 29.517 0.00 0.00 -ATOM 893 H1 H2O C 298 43.660 33.311 29.320 0.00 0.00 -ATOM 894 H2 H2O C 298 42.110 33.334 28.804 0.00 0.00 -ATOM 895 O1 H2O C 299 42.915 14.839 19.197 0.00 0.00 -ATOM 896 H1 H2O C 299 43.538 14.121 18.888 0.00 0.00 -ATOM 897 H2 H2O C 299 42.872 15.562 18.508 0.00 0.00 -ATOM 898 O1 H2O C 300 35.799 16.249 45.055 0.00 0.00 -ATOM 899 H1 H2O C 300 36.436 15.590 45.454 0.00 0.00 -ATOM 900 H2 H2O C 300 35.094 16.481 45.725 0.00 0.00 -ATOM 901 O1 H2O C 301 40.617 6.404 13.644 0.00 0.00 -ATOM 902 H1 H2O C 301 41.060 5.823 12.962 0.00 0.00 -ATOM 903 H2 H2O C 301 39.624 6.341 13.541 0.00 0.00 -ATOM 904 O1 H2O C 302 23.244 5.723 28.035 0.00 0.00 -ATOM 905 H1 H2O C 302 22.539 5.017 27.963 0.00 0.00 -ATOM 906 H2 H2O C 302 22.817 6.598 28.262 0.00 0.00 -ATOM 907 O1 H2O C 303 19.713 30.867 4.704 0.00 0.00 -ATOM 908 H1 H2O C 303 19.018 30.233 4.365 0.00 0.00 -ATOM 909 H2 H2O C 303 20.623 30.507 4.497 0.00 0.00 -ATOM 910 O1 H2O C 304 59.172 41.920 52.551 0.00 0.00 -ATOM 911 H1 H2O C 304 59.138 42.914 52.448 0.00 0.00 -ATOM 912 H2 H2O C 304 58.681 41.653 53.380 0.00 0.00 -ATOM 913 O1 H2O C 305 29.686 36.572 10.729 0.00 0.00 -ATOM 914 H1 H2O C 305 29.553 35.710 11.216 0.00 0.00 -ATOM 915 H2 H2O C 305 30.482 36.496 10.128 0.00 0.00 -ATOM 916 O1 H2O C 306 29.351 23.049 14.733 0.00 0.00 -ATOM 917 H1 H2O C 306 30.016 22.730 14.058 0.00 0.00 -ATOM 918 H2 H2O C 306 28.756 23.736 14.317 0.00 0.00 -ATOM 919 O1 H2O C 307 27.986 12.674 10.667 0.00 0.00 -ATOM 920 H1 H2O C 307 28.694 12.029 10.381 0.00 0.00 -ATOM 921 H2 H2O C 307 27.442 12.947 9.873 0.00 0.00 -ATOM 922 O1 H2O C 308 22.907 56.408 44.264 0.00 0.00 -ATOM 923 H1 H2O C 308 23.461 56.566 43.446 0.00 0.00 -ATOM 924 H2 H2O C 308 21.967 56.700 44.090 0.00 0.00 -ATOM 925 O1 H2O C 309 27.947 27.394 17.929 0.00 0.00 -ATOM 926 H1 H2O C 309 28.738 27.430 18.540 0.00 0.00 -ATOM 927 H2 H2O C 309 27.144 27.089 18.442 0.00 0.00 -ATOM 928 O1 H2O C 310 59.019 12.709 53.542 0.00 0.00 -ATOM 929 H1 H2O C 310 58.230 13.045 54.055 0.00 0.00 -ATOM 930 H2 H2O C 310 59.839 13.206 53.828 0.00 0.00 -ATOM 931 O1 H2O C 311 39.386 53.093 50.722 0.00 0.00 -ATOM 932 H1 H2O C 311 40.228 53.335 50.241 0.00 0.00 -ATOM 933 H2 H2O C 311 38.602 53.249 50.120 0.00 0.00 -ATOM 934 O1 H2O C 312 44.872 40.153 51.709 0.00 0.00 -ATOM 935 H1 H2O C 312 45.601 39.477 51.597 0.00 0.00 -ATOM 936 H2 H2O C 312 44.421 40.014 52.590 0.00 0.00 -ATOM 937 O1 H2O C 313 33.557 10.820 33.045 0.00 0.00 -ATOM 938 H1 H2O C 313 33.348 10.964 32.078 0.00 0.00 -ATOM 939 H2 H2O C 313 34.099 9.986 33.148 0.00 0.00 -ATOM 940 O1 H2O C 314 13.898 57.008 41.109 0.00 0.00 -ATOM 941 H1 H2O C 314 13.286 56.847 40.334 0.00 0.00 -ATOM 942 H2 H2O C 314 14.747 57.423 40.782 0.00 0.00 -ATOM 943 O1 H2O C 315 24.956 22.663 43.849 0.00 0.00 -ATOM 944 H1 H2O C 315 24.243 23.114 43.313 0.00 0.00 -ATOM 945 H2 H2O C 315 24.707 21.706 43.996 0.00 0.00 -ATOM 946 O1 H2O C 316 38.632 55.870 21.375 0.00 0.00 -ATOM 947 H1 H2O C 316 38.485 56.784 20.998 0.00 0.00 -ATOM 948 H2 H2O C 316 38.025 55.731 22.158 0.00 0.00 -ATOM 949 O1 H2O C 317 2.619 59.853 9.581 0.00 0.00 -ATOM 950 H1 H2O C 317 2.631 58.869 9.757 0.00 0.00 -ATOM 951 H2 H2O C 317 3.455 60.116 9.100 0.00 0.00 -ATOM 952 O1 H2O C 318 13.580 34.099 10.457 0.00 0.00 -ATOM 953 H1 H2O C 318 13.273 33.892 9.529 0.00 0.00 -ATOM 954 H2 H2O C 318 13.677 35.089 10.564 0.00 0.00 -ATOM 955 O1 H2O C 319 17.934 14.320 49.390 0.00 0.00 -ATOM 956 H1 H2O C 319 17.535 13.496 48.986 0.00 0.00 -ATOM 957 H2 H2O C 319 17.520 14.485 50.285 0.00 0.00 -ATOM 958 O1 H2O C 320 38.192 53.054 3.851 0.00 0.00 -ATOM 959 H1 H2O C 320 38.434 52.291 3.252 0.00 0.00 -ATOM 960 H2 H2O C 320 38.380 53.917 3.384 0.00 0.00 -ATOM 961 O1 H2O C 321 25.963 30.545 41.641 0.00 0.00 -ATOM 962 H1 H2O C 321 26.093 29.650 41.214 0.00 0.00 -ATOM 963 H2 H2O C 321 25.054 30.894 41.412 0.00 0.00 -ATOM 964 O1 H2O C 322 27.787 59.684 35.788 0.00 0.00 -ATOM 965 H1 H2O C 322 26.888 59.298 35.581 0.00 0.00 -ATOM 966 H2 H2O C 322 28.164 59.234 36.598 0.00 0.00 -ATOM 967 O1 H2O C 323 20.682 1.432 25.669 0.00 0.00 -ATOM 968 H1 H2O C 323 21.073 1.524 26.585 0.00 0.00 -ATOM 969 H2 H2O C 323 19.737 1.112 25.741 0.00 0.00 -ATOM 970 O1 H2O C 324 6.708 23.265 47.653 0.00 0.00 -ATOM 971 H1 H2O C 324 6.044 23.427 46.923 0.00 0.00 -ATOM 972 H2 H2O C 324 7.093 24.138 47.953 0.00 0.00 -ATOM 973 O1 H2O C 325 10.594 10.952 2.571 0.00 0.00 -ATOM 974 H1 H2O C 325 9.869 10.860 1.888 0.00 0.00 -ATOM 975 H2 H2O C 325 11.105 11.795 2.403 0.00 0.00 -ATOM 976 O1 H2O C 326 45.652 32.005 17.977 0.00 0.00 -ATOM 977 H1 H2O C 326 45.753 33.000 17.983 0.00 0.00 -ATOM 978 H2 H2O C 326 44.835 31.756 17.457 0.00 0.00 -ATOM 979 O1 H2O C 327 45.133 4.835 54.960 0.00 0.00 -ATOM 980 H1 H2O C 327 45.238 3.873 54.708 0.00 0.00 -ATOM 981 H2 H2O C 327 44.946 5.377 54.141 0.00 0.00 -ATOM 982 O1 H2O C 328 32.135 54.418 41.568 0.00 0.00 -ATOM 983 H1 H2O C 328 32.835 53.730 41.374 0.00 0.00 -ATOM 984 H2 H2O C 328 31.247 53.969 41.674 0.00 0.00 -ATOM 985 O1 H2O C 329 5.173 45.396 46.606 0.00 0.00 -ATOM 986 H1 H2O C 329 5.614 46.119 46.074 0.00 0.00 -ATOM 987 H2 H2O C 329 4.949 44.629 46.003 0.00 0.00 -ATOM 988 O1 H2O C 330 22.975 6.838 23.499 0.00 0.00 -ATOM 989 H1 H2O C 330 22.248 7.002 22.832 0.00 0.00 -ATOM 990 H2 H2O C 330 23.151 5.856 23.565 0.00 0.00 -ATOM 991 O1 H2O C 331 51.984 43.339 -0.159 0.00 0.00 -ATOM 992 H1 H2O C 331 52.708 42.741 0.183 0.00 0.00 -ATOM 993 H2 H2O C 331 51.527 43.784 0.612 0.00 0.00 -ATOM 994 O1 H2O C 332 21.823 22.686 37.956 0.00 0.00 -ATOM 995 H1 H2O C 332 22.155 22.286 38.810 0.00 0.00 -ATOM 996 H2 H2O C 332 21.258 23.485 38.160 0.00 0.00 -ATOM 997 O1 H2O C 333 0.637 56.386 59.187 0.00 0.00 -ATOM 998 H1 H2O C 333 0.053 56.185 58.401 0.00 0.00 -ATOM 999 H2 H2O C 333 1.497 56.786 58.870 0.00 0.00 -ATOM 1000 O1 H2O C 334 59.039 53.068 20.221 0.00 0.00 -ATOM 1001 H1 H2O C 334 58.532 52.631 19.478 0.00 0.00 -ATOM 1002 H2 H2O C 334 59.440 52.366 20.809 0.00 0.00 -ATOM 1003 O1 H2O C 335 53.521 35.116 41.861 0.00 0.00 -ATOM 1004 H1 H2O C 335 53.321 34.811 42.792 0.00 0.00 -ATOM 1005 H2 H2O C 335 53.222 34.419 41.210 0.00 0.00 -ATOM 1006 O1 H2O C 336 39.820 43.080 19.763 0.00 0.00 -ATOM 1007 H1 H2O C 336 40.514 43.449 20.381 0.00 0.00 -ATOM 1008 H2 H2O C 336 39.243 42.432 20.259 0.00 0.00 -ATOM 1009 O1 H2O C 337 50.216 40.309 54.968 0.00 0.00 -ATOM 1010 H1 H2O C 337 50.160 39.907 54.054 0.00 0.00 -ATOM 1011 H2 H2O C 337 50.066 41.296 54.907 0.00 0.00 -ATOM 1012 O1 H2O C 338 59.765 3.883 31.579 0.00 0.00 -ATOM 1013 H1 H2O C 338 59.614 2.965 31.946 0.00 0.00 -ATOM 1014 H2 H2O C 338 59.733 3.851 30.580 0.00 0.00 -ATOM 1015 O1 H2O C 339 15.874 7.402 23.356 0.00 0.00 -ATOM 1016 H1 H2O C 339 16.422 7.288 22.527 0.00 0.00 -ATOM 1017 H2 H2O C 339 16.070 8.293 23.765 0.00 0.00 -ATOM 1018 O1 H2O C 340 51.902 9.266 51.717 0.00 0.00 -ATOM 1019 H1 H2O C 340 52.005 9.771 50.860 0.00 0.00 -ATOM 1020 H2 H2O C 340 52.597 9.570 52.369 0.00 0.00 -ATOM 1021 O1 H2O C 341 57.910 31.460 43.602 0.00 0.00 -ATOM 1022 H1 H2O C 341 58.013 30.484 43.794 0.00 0.00 -ATOM 1023 H2 H2O C 341 57.652 31.939 44.441 0.00 0.00 -ATOM 1024 O1 H2O C 342 57.920 47.981 35.662 0.00 0.00 -ATOM 1025 H1 H2O C 342 57.231 48.299 35.010 0.00 0.00 -ATOM 1026 H2 H2O C 342 57.465 47.654 36.492 0.00 0.00 -ATOM 1027 O1 H2O C 343 25.491 50.540 13.743 0.00 0.00 -ATOM 1028 H1 H2O C 343 26.404 50.231 14.013 0.00 0.00 -ATOM 1029 H2 H2O C 343 25.338 50.321 12.779 0.00 0.00 -ATOM 1030 O1 H2O C 344 49.168 21.406 52.384 0.00 0.00 -ATOM 1031 H1 H2O C 344 48.253 21.544 52.765 0.00 0.00 -ATOM 1032 H2 H2O C 344 49.718 20.868 53.022 0.00 0.00 -ATOM 1033 O1 H2O C 345 13.920 56.771 29.023 0.00 0.00 -ATOM 1034 H1 H2O C 345 13.436 56.754 29.898 0.00 0.00 -ATOM 1035 H2 H2O C 345 13.728 57.632 28.552 0.00 0.00 -ATOM 1036 O1 H2O C 346 49.976 1.075 50.401 0.00 0.00 -ATOM 1037 H1 H2O C 346 50.517 1.375 51.187 0.00 0.00 -ATOM 1038 H2 H2O C 346 50.459 1.305 49.556 0.00 0.00 -ATOM 1039 O1 H2O C 347 3.530 17.525 33.740 0.00 0.00 -ATOM 1040 H1 H2O C 347 3.487 16.904 32.958 0.00 0.00 -ATOM 1041 H2 H2O C 347 3.094 17.096 34.531 0.00 0.00 -ATOM 1042 O1 H2O C 348 45.272 25.128 39.272 0.00 0.00 -ATOM 1043 H1 H2O C 348 44.395 25.502 38.970 0.00 0.00 -ATOM 1044 H2 H2O C 348 45.978 25.348 38.599 0.00 0.00 -ATOM 1045 O1 H2O C 349 5.375 20.390 13.610 0.00 0.00 -ATOM 1046 H1 H2O C 349 4.552 20.649 13.105 0.00 0.00 -ATOM 1047 H2 H2O C 349 5.142 19.704 14.299 0.00 0.00 -ATOM 1048 O1 H2O C 350 49.374 45.343 37.279 0.00 0.00 -ATOM 1049 H1 H2O C 350 49.048 46.222 36.931 0.00 0.00 -ATOM 1050 H2 H2O C 350 50.288 45.160 36.918 0.00 0.00 -ATOM 1051 O1 H2O C 351 14.741 21.654 32.820 0.00 0.00 -ATOM 1052 H1 H2O C 351 15.162 21.737 33.723 0.00 0.00 -ATOM 1053 H2 H2O C 351 15.206 22.264 32.178 0.00 0.00 -ATOM 1054 O1 H2O C 352 50.787 46.907 47.244 0.00 0.00 -ATOM 1055 H1 H2O C 352 49.989 47.451 47.503 0.00 0.00 -ATOM 1056 H2 H2O C 352 50.909 46.161 47.899 0.00 0.00 -ATOM 1057 O1 H2O C 353 0.007 36.254 2.295 0.00 0.00 -ATOM 1058 H1 H2O C 353 0.372 36.907 1.631 0.00 0.00 -ATOM 1059 H2 H2O C 353 -0.106 35.362 1.858 0.00 0.00 -ATOM 1060 O1 H2O C 354 57.156 13.975 15.611 0.00 0.00 -ATOM 1061 H1 H2O C 354 57.862 13.277 15.728 0.00 0.00 -ATOM 1062 H2 H2O C 354 56.437 13.625 15.011 0.00 0.00 -ATOM 1063 O1 H2O C 355 12.967 37.682 53.075 0.00 0.00 -ATOM 1064 H1 H2O C 355 12.944 36.758 53.456 0.00 0.00 -ATOM 1065 H2 H2O C 355 12.579 37.672 52.153 0.00 0.00 -ATOM 1066 O1 H2O C 356 38.010 1.941 16.369 0.00 0.00 -ATOM 1067 H1 H2O C 356 37.580 2.283 15.534 0.00 0.00 -ATOM 1068 H2 H2O C 356 38.880 1.504 16.140 0.00 0.00 -ATOM 1069 O1 H2O C 357 42.388 14.357 52.648 0.00 0.00 -ATOM 1070 H1 H2O C 357 42.722 14.588 51.734 0.00 0.00 -ATOM 1071 H2 H2O C 357 42.433 13.366 52.779 0.00 0.00 -ATOM 1072 O1 H2O C 358 46.957 19.261 14.091 0.00 0.00 -ATOM 1073 H1 H2O C 358 47.715 19.630 13.553 0.00 0.00 -ATOM 1074 H2 H2O C 358 46.368 18.708 13.501 0.00 0.00 -ATOM 1075 O1 H2O C 359 43.409 2.603 4.442 0.00 0.00 -ATOM 1076 H1 H2O C 359 43.844 2.961 5.268 0.00 0.00 -ATOM 1077 H2 H2O C 359 42.702 3.239 4.134 0.00 0.00 -ATOM 1078 O1 H2O C 360 41.938 19.548 25.391 0.00 0.00 -ATOM 1079 H1 H2O C 360 41.131 19.697 25.961 0.00 0.00 -ATOM 1080 H2 H2O C 360 42.735 19.393 25.976 0.00 0.00 -ATOM 1081 O1 H2O C 361 41.871 46.232 50.747 0.00 0.00 -ATOM 1082 H1 H2O C 361 40.974 46.670 50.689 0.00 0.00 -ATOM 1083 H2 H2O C 361 41.799 45.393 51.287 0.00 0.00 -ATOM 1084 O1 H2O C 362 19.738 25.511 19.541 0.00 0.00 -ATOM 1085 H1 H2O C 362 19.766 24.652 19.031 0.00 0.00 -ATOM 1086 H2 H2O C 362 18.791 25.729 19.776 0.00 0.00 -ATOM 1087 O1 H2O C 363 30.820 23.397 14.376 0.00 0.00 -ATOM 1088 H1 H2O C 363 30.520 22.993 15.240 0.00 0.00 -ATOM 1089 H2 H2O C 363 31.232 24.291 14.550 0.00 0.00 -ATOM 1090 O1 H2O C 364 49.267 32.231 42.228 0.00 0.00 -ATOM 1091 H1 H2O C 364 49.804 32.488 41.425 0.00 0.00 -ATOM 1092 H2 H2O C 364 49.056 33.049 42.764 0.00 0.00 -ATOM 1093 O1 H2O C 365 10.527 0.770 34.624 0.00 0.00 -ATOM 1094 H1 H2O C 365 11.088 1.027 35.411 0.00 0.00 -ATOM 1095 H2 H2O C 365 10.826 1.285 33.820 0.00 0.00 -ATOM 1096 O1 H2O C 366 10.401 46.373 52.166 0.00 0.00 -ATOM 1097 H1 H2O C 366 10.569 45.706 52.892 0.00 0.00 -ATOM 1098 H2 H2O C 366 10.683 45.988 51.288 0.00 0.00 -ATOM 1099 O1 H2O C 367 23.656 9.173 23.190 0.00 0.00 -ATOM 1100 H1 H2O C 367 24.187 9.550 23.949 0.00 0.00 -ATOM 1101 H2 H2O C 367 23.456 8.210 23.369 0.00 0.00 -ATOM 1102 O1 H2O C 368 13.494 59.618 23.984 0.00 0.00 -ATOM 1103 H1 H2O C 368 13.074 60.524 24.044 0.00 0.00 -ATOM 1104 H2 H2O C 368 13.349 59.244 23.068 0.00 0.00 -ATOM 1105 O1 H2O C 369 27.492 26.811 53.632 0.00 0.00 -ATOM 1106 H1 H2O C 369 27.263 27.669 53.173 0.00 0.00 -ATOM 1107 H2 H2O C 369 26.660 26.271 53.762 0.00 0.00 -ATOM 1108 O1 H2O C 370 58.456 39.527 19.077 0.00 0.00 -ATOM 1109 H1 H2O C 370 58.647 38.702 19.609 0.00 0.00 -ATOM 1110 H2 H2O C 370 59.197 39.680 18.423 0.00 0.00 -ATOM 1111 O1 H2O C 371 6.061 45.533 48.099 0.00 0.00 -ATOM 1112 H1 H2O C 371 6.060 45.052 48.976 0.00 0.00 -ATOM 1113 H2 H2O C 371 5.156 45.464 47.680 0.00 0.00 -ATOM 1114 O1 H2O C 372 29.942 27.750 28.119 0.00 0.00 -ATOM 1115 H1 H2O C 372 29.944 28.749 28.165 0.00 0.00 -ATOM 1116 H2 H2O C 372 30.807 27.398 28.477 0.00 0.00 -ATOM 1117 O1 H2O C 373 18.052 3.777 39.896 0.00 0.00 -ATOM 1118 H1 H2O C 373 18.348 3.134 40.603 0.00 0.00 -ATOM 1119 H2 H2O C 373 17.331 4.367 40.262 0.00 0.00 -ATOM 1120 O1 H2O C 374 56.767 40.036 35.482 0.00 0.00 -ATOM 1121 H1 H2O C 374 57.015 39.256 36.056 0.00 0.00 -ATOM 1122 H2 H2O C 374 56.282 40.715 36.033 0.00 0.00 -ATOM 1123 O1 H2O C 375 21.372 13.150 38.189 0.00 0.00 -ATOM 1124 H1 H2O C 375 22.265 12.865 37.839 0.00 0.00 -ATOM 1125 H2 H2O C 375 21.489 13.593 39.078 0.00 0.00 -ATOM 1126 O1 H2O C 376 23.167 6.999 18.172 0.00 0.00 -ATOM 1127 H1 H2O C 376 23.559 6.210 18.646 0.00 0.00 -ATOM 1128 H2 H2O C 376 22.248 7.176 18.526 0.00 0.00 -ATOM 1129 O1 H2O C 377 11.871 37.180 28.661 0.00 0.00 -ATOM 1130 H1 H2O C 377 12.416 38.004 28.507 0.00 0.00 -ATOM 1131 H2 H2O C 377 12.291 36.634 29.386 0.00 0.00 -ATOM 1132 O1 H2O C 378 41.461 43.785 48.942 0.00 0.00 -ATOM 1133 H1 H2O C 378 41.195 43.881 49.901 0.00 0.00 -ATOM 1134 H2 H2O C 378 40.908 44.399 48.380 0.00 0.00 -ATOM 1135 O1 H2O C 379 5.973 54.421 25.566 0.00 0.00 -ATOM 1136 H1 H2O C 379 6.481 55.072 25.002 0.00 0.00 -ATOM 1137 H2 H2O C 379 5.852 54.799 26.484 0.00 0.00 -ATOM 1138 O1 H2O C 380 8.381 51.681 55.115 0.00 0.00 -ATOM 1139 H1 H2O C 380 7.973 52.392 54.542 0.00 0.00 -ATOM 1140 H2 H2O C 380 7.659 51.098 55.488 0.00 0.00 -ATOM 1141 O1 H2O C 381 58.948 4.515 43.451 0.00 0.00 -ATOM 1142 H1 H2O C 381 58.598 3.634 43.770 0.00 0.00 -ATOM 1143 H2 H2O C 381 58.494 4.764 42.596 0.00 0.00 -ATOM 1144 O1 H2O C 382 24.807 0.342 23.334 0.00 0.00 -ATOM 1145 H1 H2O C 382 24.511 1.180 22.876 0.00 0.00 -ATOM 1146 H2 H2O C 382 24.184 0.135 24.088 0.00 0.00 -ATOM 1147 O1 H2O C 383 36.246 7.055 52.846 0.00 0.00 -ATOM 1148 H1 H2O C 383 35.938 7.996 52.702 0.00 0.00 -ATOM 1149 H2 H2O C 383 35.585 6.422 52.442 0.00 0.00 -ATOM 1150 O1 H2O C 384 10.078 55.167 22.936 0.00 0.00 -ATOM 1151 H1 H2O C 384 10.641 54.549 23.485 0.00 0.00 -ATOM 1152 H2 H2O C 384 9.177 55.262 23.361 0.00 0.00 -ATOM 1153 O1 H2O C 385 25.829 4.720 34.220 0.00 0.00 -ATOM 1154 H1 H2O C 385 24.944 5.186 34.208 0.00 0.00 -ATOM 1155 H2 H2O C 385 25.712 3.791 34.569 0.00 0.00 -ATOM 1156 O1 H2O C 386 33.248 55.157 36.580 0.00 0.00 -ATOM 1157 H1 H2O C 386 34.061 55.666 36.860 0.00 0.00 -ATOM 1158 H2 H2O C 386 32.635 55.761 36.071 0.00 0.00 -ATOM 1159 O1 H2O C 387 51.448 26.267 13.128 0.00 0.00 -ATOM 1160 H1 H2O C 387 51.824 26.258 12.202 0.00 0.00 -ATOM 1161 H2 H2O C 387 51.662 27.140 13.566 0.00 0.00 -ATOM 1162 O1 H2O C 388 16.967 15.178 38.935 0.00 0.00 -ATOM 1163 H1 H2O C 388 16.464 14.988 38.092 0.00 0.00 -ATOM 1164 H2 H2O C 388 17.756 15.757 38.730 0.00 0.00 -ATOM 1165 O1 H2O C 389 59.532 36.843 15.597 0.00 0.00 -ATOM 1166 H1 H2O C 389 59.641 36.027 16.165 0.00 0.00 -ATOM 1167 H2 H2O C 389 59.460 36.573 14.637 0.00 0.00 -ATOM 1168 O1 H2O C 390 46.942 13.009 59.385 0.00 0.00 -ATOM 1169 H1 H2O C 390 46.802 12.382 60.151 0.00 0.00 -ATOM 1170 H2 H2O C 390 47.793 12.776 58.915 0.00 0.00 -ATOM 1171 O1 H2O C 391 29.154 11.083 30.185 0.00 0.00 -ATOM 1172 H1 H2O C 391 28.417 10.410 30.121 0.00 0.00 -ATOM 1173 H2 H2O C 391 29.952 10.753 29.681 0.00 0.00 -ATOM 1174 O1 H2O C 392 6.105 59.535 38.007 0.00 0.00 -ATOM 1175 H1 H2O C 392 6.653 58.882 38.530 0.00 0.00 -ATOM 1176 H2 H2O C 392 6.096 59.267 37.044 0.00 0.00 -ATOM 1177 O1 H2O C 393 23.097 43.420 52.288 0.00 0.00 -ATOM 1178 H1 H2O C 393 23.417 44.365 52.212 0.00 0.00 -ATOM 1179 H2 H2O C 393 23.438 43.020 53.138 0.00 0.00 -ATOM 1180 O1 H2O C 394 30.011 56.338 42.110 0.00 0.00 -ATOM 1181 H1 H2O C 394 29.524 55.873 42.849 0.00 0.00 -ATOM 1182 H2 H2O C 394 30.895 55.894 41.962 0.00 0.00 -ATOM 1183 O1 H2O C 395 16.887 10.801 12.455 0.00 0.00 -ATOM 1184 H1 H2O C 395 15.933 10.684 12.731 0.00 0.00 -ATOM 1185 H2 H2O C 395 17.003 11.699 12.031 0.00 0.00 -ATOM 1186 O1 H2O C 396 9.892 4.268 54.324 0.00 0.00 -ATOM 1187 H1 H2O C 396 8.926 4.087 54.510 0.00 0.00 -ATOM 1188 H2 H2O C 396 10.112 3.977 53.393 0.00 0.00 -ATOM 1189 O1 H2O C 397 25.058 57.161 39.063 0.00 0.00 -ATOM 1190 H1 H2O C 397 24.226 57.473 39.522 0.00 0.00 -ATOM 1191 H2 H2O C 397 24.853 56.948 38.108 0.00 0.00 -ATOM 1192 O1 H2O C 398 8.545 29.995 48.120 0.00 0.00 -ATOM 1193 H1 H2O C 398 8.548 28.995 48.121 0.00 0.00 -ATOM 1194 H2 H2O C 398 7.726 30.327 48.587 0.00 0.00 -ATOM 1195 O1 H2O C 399 24.872 34.627 2.575 0.00 0.00 -ATOM 1196 H1 H2O C 399 25.688 34.051 2.527 0.00 0.00 -ATOM 1197 H2 H2O C 399 25.053 35.413 3.165 0.00 0.00 -ATOM 1198 O1 H2O C 400 49.723 35.258 28.627 0.00 0.00 -ATOM 1199 H1 H2O C 400 49.006 34.858 28.056 0.00 0.00 -ATOM 1200 H2 H2O C 400 49.486 36.204 28.847 0.00 0.00 -ATOM 1201 O1 H2O C 401 31.072 23.319 6.567 0.00 0.00 -ATOM 1202 H1 H2O C 401 30.366 23.606 7.214 0.00 0.00 -ATOM 1203 H2 H2O C 401 31.683 22.662 7.009 0.00 0.00 -ATOM 1204 O1 H2O C 402 50.580 49.002 28.932 0.00 0.00 -ATOM 1205 H1 H2O C 402 50.704 48.188 29.500 0.00 0.00 -ATOM 1206 H2 H2O C 402 51.434 49.522 28.905 0.00 0.00 -ATOM 1207 O1 H2O C 403 53.726 19.583 45.999 0.00 0.00 -ATOM 1208 H1 H2O C 403 54.021 20.435 45.568 0.00 0.00 -ATOM 1209 H2 H2O C 403 54.438 19.262 46.624 0.00 0.00 -ATOM 1210 O1 H2O C 404 55.938 39.607 49.685 0.00 0.00 -ATOM 1211 H1 H2O C 404 56.418 39.914 50.507 0.00 0.00 -ATOM 1212 H2 H2O C 404 55.397 40.362 49.313 0.00 0.00 -ATOM 1213 O1 H2O C 405 26.563 13.601 41.321 0.00 0.00 -ATOM 1214 H1 H2O C 405 26.631 13.420 42.302 0.00 0.00 -ATOM 1215 H2 H2O C 405 26.941 14.505 41.121 0.00 0.00 -ATOM 1216 O1 H2O C 406 29.814 29.035 27.988 0.00 0.00 -ATOM 1217 H1 H2O C 406 30.574 28.393 28.086 0.00 0.00 -ATOM 1218 H2 H2O C 406 29.844 29.450 27.078 0.00 0.00 -ATOM 1219 O1 H2O C 407 7.499 28.597 52.939 0.00 0.00 -ATOM 1220 H1 H2O C 407 7.411 28.103 53.804 0.00 0.00 -ATOM 1221 H2 H2O C 407 8.409 28.440 52.557 0.00 0.00 -ATOM 1222 O1 H2O C 408 13.953 34.683 58.326 0.00 0.00 -ATOM 1223 H1 H2O C 408 13.305 34.288 57.674 0.00 0.00 -ATOM 1224 H2 H2O C 408 13.450 35.105 59.081 0.00 0.00 -ATOM 1225 O1 H2O C 409 41.421 42.589 16.335 0.00 0.00 -ATOM 1226 H1 H2O C 409 42.046 43.343 16.132 0.00 0.00 -ATOM 1227 H2 H2O C 409 41.764 42.074 17.121 0.00 0.00 -ATOM 1228 O1 H2O C 410 57.836 57.062 51.418 0.00 0.00 -ATOM 1229 H1 H2O C 410 58.614 57.193 52.033 0.00 0.00 -ATOM 1230 H2 H2O C 410 57.141 56.506 51.873 0.00 0.00 -ATOM 1231 O1 H2O C 411 43.679 6.915 39.142 0.00 0.00 -ATOM 1232 H1 H2O C 411 44.331 6.606 39.835 0.00 0.00 -ATOM 1233 H2 H2O C 411 42.753 6.881 39.518 0.00 0.00 -ATOM 1234 O1 H2O C 412 43.186 5.937 37.214 0.00 0.00 -ATOM 1235 H1 H2O C 412 43.459 5.384 36.426 0.00 0.00 -ATOM 1236 H2 H2O C 412 42.189 6.017 37.234 0.00 0.00 -ATOM 1237 O1 H2O C 413 37.317 45.742 0.823 0.00 0.00 -ATOM 1238 H1 H2O C 413 37.987 45.132 0.398 0.00 0.00 -ATOM 1239 H2 H2O C 413 37.515 45.825 1.800 0.00 0.00 -ATOM 1240 O1 H2O C 414 51.133 10.114 21.860 0.00 0.00 -ATOM 1241 H1 H2O C 414 51.712 10.709 22.418 0.00 0.00 -ATOM 1242 H2 H2O C 414 50.273 9.941 22.339 0.00 0.00 -ATOM 1243 O1 H2O C 415 46.474 56.204 41.903 0.00 0.00 -ATOM 1244 H1 H2O C 415 46.427 55.248 41.614 0.00 0.00 -ATOM 1245 H2 H2O C 415 46.429 56.798 41.100 0.00 0.00 -ATOM 1246 O1 H2O C 416 29.490 34.923 43.942 0.00 0.00 -ATOM 1247 H1 H2O C 416 29.220 35.600 43.258 0.00 0.00 -ATOM 1248 H2 H2O C 416 30.484 34.815 43.931 0.00 0.00 -ATOM 1249 O1 H2O C 417 46.566 33.417 16.940 0.00 0.00 -ATOM 1250 H1 H2O C 417 46.245 32.647 16.388 0.00 0.00 -ATOM 1251 H2 H2O C 417 46.144 33.376 17.846 0.00 0.00 -ATOM 1252 O1 H2O C 418 19.778 31.540 54.781 0.00 0.00 -ATOM 1253 H1 H2O C 418 20.132 31.419 55.708 0.00 0.00 -ATOM 1254 H2 H2O C 418 20.505 31.889 54.189 0.00 0.00 -ATOM 1255 O1 H2O C 419 7.129 6.751 38.204 0.00 0.00 -ATOM 1256 H1 H2O C 419 6.429 6.193 38.648 0.00 0.00 -ATOM 1257 H2 H2O C 419 6.878 7.717 38.270 0.00 0.00 -ATOM 1258 O1 H2O C 420 59.223 43.014 6.259 0.00 0.00 -ATOM 1259 H1 H2O C 420 59.330 43.134 5.272 0.00 0.00 -ATOM 1260 H2 H2O C 420 59.100 43.907 6.692 0.00 0.00 -ATOM 1261 O1 H2O C 421 51.474 14.895 20.420 0.00 0.00 -ATOM 1262 H1 H2O C 421 50.753 14.371 20.872 0.00 0.00 -ATOM 1263 H2 H2O C 421 51.830 14.373 19.645 0.00 0.00 -ATOM 1264 O1 H2O C 422 5.885 20.583 51.864 0.00 0.00 -ATOM 1265 H1 H2O C 422 5.696 20.344 52.816 0.00 0.00 -ATOM 1266 H2 H2O C 422 5.398 19.953 51.259 0.00 0.00 -ATOM 1267 O1 H2O C 423 47.013 7.093 34.557 0.00 0.00 -ATOM 1268 H1 H2O C 423 46.920 6.111 34.719 0.00 0.00 -ATOM 1269 H2 H2O C 423 46.625 7.322 33.664 0.00 0.00 -ATOM 1270 O1 H2O C 424 27.414 9.402 11.636 0.00 0.00 -ATOM 1271 H1 H2O C 424 27.921 8.564 11.435 0.00 0.00 -ATOM 1272 H2 H2O C 424 27.593 9.681 12.579 0.00 0.00 -ATOM 1273 O1 H2O C 425 56.937 39.950 35.263 0.00 0.00 -ATOM 1274 H1 H2O C 425 56.858 40.204 36.227 0.00 0.00 -ATOM 1275 H2 H2O C 425 56.404 39.122 35.092 0.00 0.00 -ATOM 1276 O1 H2O C 426 5.349 48.968 46.984 0.00 0.00 -ATOM 1277 H1 H2O C 426 6.014 48.679 47.673 0.00 0.00 -ATOM 1278 H2 H2O C 426 5.823 49.443 46.243 0.00 0.00 -ATOM 1279 O1 H2O C 427 43.925 41.830 50.381 0.00 0.00 -ATOM 1280 H1 H2O C 427 44.801 41.919 50.856 0.00 0.00 -ATOM 1281 H2 H2O C 427 44.065 41.950 49.398 0.00 0.00 -ATOM 1282 O1 H2O C 428 19.316 34.195 14.061 0.00 0.00 -ATOM 1283 H1 H2O C 428 18.375 33.856 14.046 0.00 0.00 -ATOM 1284 H2 H2O C 428 19.571 34.512 13.147 0.00 0.00 -ATOM 1285 O1 H2O C 429 6.675 4.362 55.361 0.00 0.00 -ATOM 1286 H1 H2O C 429 5.885 3.851 55.024 0.00 0.00 -ATOM 1287 H2 H2O C 429 6.485 5.343 55.308 0.00 0.00 -ATOM 1288 O1 H2O C 430 52.320 59.217 32.844 0.00 0.00 -ATOM 1289 H1 H2O C 430 52.613 59.507 31.932 0.00 0.00 -ATOM 1290 H2 H2O C 430 51.691 59.895 33.223 0.00 0.00 -ATOM 1291 O1 H2O C 431 17.337 56.298 40.919 0.00 0.00 -ATOM 1292 H1 H2O C 431 18.174 55.929 41.325 0.00 0.00 -ATOM 1293 H2 H2O C 431 16.820 55.555 40.491 0.00 0.00 -ATOM 1294 O1 H2O C 432 3.446 33.332 47.420 0.00 0.00 -ATOM 1295 H1 H2O C 432 2.529 33.615 47.701 0.00 0.00 -ATOM 1296 H2 H2O C 432 3.665 33.743 46.535 0.00 0.00 -ATOM 1297 O1 H2O C 433 18.762 35.276 13.156 0.00 0.00 -ATOM 1298 H1 H2O C 433 19.276 34.797 12.444 0.00 0.00 -ATOM 1299 H2 H2O C 433 19.238 36.122 13.399 0.00 0.00 -ATOM 1300 O1 H2O C 434 40.033 52.071 18.412 0.00 0.00 -ATOM 1301 H1 H2O C 434 39.425 52.697 18.901 0.00 0.00 -ATOM 1302 H2 H2O C 434 39.806 52.078 17.438 0.00 0.00 -ATOM 1303 O1 H2O C 435 45.275 21.730 36.723 0.00 0.00 -ATOM 1304 H1 H2O C 435 46.193 21.553 37.078 0.00 0.00 -ATOM 1305 H2 H2O C 435 44.773 20.868 36.652 0.00 0.00 -ATOM 1306 O1 H2O C 436 3.616 5.809 19.946 0.00 0.00 -ATOM 1307 H1 H2O C 436 2.729 5.650 20.379 0.00 0.00 -ATOM 1308 H2 H2O C 436 3.702 5.226 19.138 0.00 0.00 -ATOM 1309 O1 H2O C 437 16.025 57.212 25.425 0.00 0.00 -ATOM 1310 H1 H2O C 437 16.181 56.313 25.832 0.00 0.00 -ATOM 1311 H2 H2O C 437 16.874 57.543 25.012 0.00 0.00 -ATOM 1312 O1 H2O C 438 21.122 52.953 57.472 0.00 0.00 -ATOM 1313 H1 H2O C 438 20.562 53.609 57.977 0.00 0.00 -ATOM 1314 H2 H2O C 438 21.385 52.202 58.078 0.00 0.00 -ATOM 1315 O1 H2O C 439 46.778 2.683 18.856 0.00 0.00 -ATOM 1316 H1 H2O C 439 46.284 3.323 18.268 0.00 0.00 -ATOM 1317 H2 H2O C 439 46.129 2.212 19.454 0.00 0.00 -ATOM 1318 O1 H2O C 440 31.480 36.259 5.859 0.00 0.00 -ATOM 1319 H1 H2O C 440 31.999 36.566 5.061 0.00 0.00 -ATOM 1320 H2 H2O C 440 30.939 35.454 5.615 0.00 0.00 -ATOM 1321 O1 H2O C 441 45.271 47.236 38.469 0.00 0.00 -ATOM 1322 H1 H2O C 441 44.683 47.851 38.996 0.00 0.00 -ATOM 1323 H2 H2O C 441 45.988 47.766 38.017 0.00 0.00 -ATOM 1324 O1 H2O C 442 51.624 41.068 20.675 0.00 0.00 -ATOM 1325 H1 H2O C 442 51.508 42.015 20.376 0.00 0.00 -ATOM 1326 H2 H2O C 442 51.615 41.030 21.674 0.00 0.00 -ATOM 1327 O1 H2O C 443 38.495 24.231 51.404 0.00 0.00 -ATOM 1328 H1 H2O C 443 38.530 25.145 50.998 0.00 0.00 -ATOM 1329 H2 H2O C 443 39.277 24.108 52.015 0.00 0.00 -ATOM 1330 O1 H2O C 444 5.038 54.116 25.852 0.00 0.00 -ATOM 1331 H1 H2O C 444 5.445 53.362 25.336 0.00 0.00 -ATOM 1332 H2 H2O C 444 4.055 53.961 25.948 0.00 0.00 -ATOM 1333 O1 H2O C 445 42.009 30.915 36.271 0.00 0.00 -ATOM 1334 H1 H2O C 445 41.692 30.081 36.722 0.00 0.00 -ATOM 1335 H2 H2O C 445 42.764 31.310 36.795 0.00 0.00 -ATOM 1336 O1 H2O C 446 40.555 21.820 8.478 0.00 0.00 -ATOM 1337 H1 H2O C 446 40.923 22.666 8.863 0.00 0.00 -ATOM 1338 H2 H2O C 446 41.022 21.614 7.618 0.00 0.00 -ATOM 1339 O1 H2O C 447 11.013 26.549 6.512 0.00 0.00 -ATOM 1340 H1 H2O C 447 10.438 26.098 7.195 0.00 0.00 -ATOM 1341 H2 H2O C 447 10.734 26.258 5.597 0.00 0.00 -ATOM 1342 O1 H2O C 448 15.169 19.167 37.339 0.00 0.00 -ATOM 1343 H1 H2O C 448 14.810 18.981 36.425 0.00 0.00 -ATOM 1344 H2 H2O C 448 15.285 18.306 37.834 0.00 0.00 -ATOM 1345 O1 H2O C 449 41.547 18.686 19.726 0.00 0.00 -ATOM 1346 H1 H2O C 449 42.176 18.997 20.439 0.00 0.00 -ATOM 1347 H2 H2O C 449 41.041 19.468 19.363 0.00 0.00 -ATOM 1348 O1 H2O C 450 29.639 56.193 2.233 0.00 0.00 -ATOM 1349 H1 H2O C 450 29.575 56.647 1.344 0.00 0.00 -ATOM 1350 H2 H2O C 450 28.824 55.633 2.381 0.00 0.00 -ATOM 1351 O1 H2O C 451 22.501 58.413 57.771 0.00 0.00 -ATOM 1352 H1 H2O C 451 22.909 58.402 58.684 0.00 0.00 -ATOM 1353 H2 H2O C 451 21.550 58.110 57.827 0.00 0.00 -ATOM 1354 O1 H2O C 452 14.305 12.209 48.739 0.00 0.00 -ATOM 1355 H1 H2O C 452 14.009 13.110 49.055 0.00 0.00 -ATOM 1356 H2 H2O C 452 13.914 11.503 49.329 0.00 0.00 -ATOM 1357 O1 H2O C 453 9.067 32.130 28.867 0.00 0.00 -ATOM 1358 H1 H2O C 453 9.423 31.314 28.412 0.00 0.00 -ATOM 1359 H2 H2O C 453 8.904 32.846 28.188 0.00 0.00 -ATOM 1360 O1 H2O C 454 28.718 37.521 24.867 0.00 0.00 -ATOM 1361 H1 H2O C 454 28.087 37.962 24.229 0.00 0.00 -ATOM 1362 H2 H2O C 454 28.805 36.552 24.633 0.00 0.00 -ATOM 1363 O1 H2O C 455 24.539 51.221 3.310 0.00 0.00 -ATOM 1364 H1 H2O C 455 25.234 50.834 2.703 0.00 0.00 -ATOM 1365 H2 H2O C 455 24.866 51.188 4.254 0.00 0.00 -ATOM 1366 O1 H2O C 456 30.971 51.108 35.501 0.00 0.00 -ATOM 1367 H1 H2O C 456 31.386 50.957 34.603 0.00 0.00 -ATOM 1368 H2 H2O C 456 31.370 51.923 35.920 0.00 0.00 -ATOM 1369 O1 H2O C 457 51.935 36.046 48.930 0.00 0.00 -ATOM 1370 H1 H2O C 457 51.027 35.647 49.061 0.00 0.00 -ATOM 1371 H2 H2O C 457 52.050 36.823 49.549 0.00 0.00 -ATOM 1372 O1 H2O C 458 56.481 7.929 15.527 0.00 0.00 -ATOM 1373 H1 H2O C 458 56.706 7.111 14.997 0.00 0.00 -ATOM 1374 H2 H2O C 458 56.358 7.681 16.487 0.00 0.00 -ATOM 1375 O1 H2O C 459 7.575 29.005 50.789 0.00 0.00 -ATOM 1376 H1 H2O C 459 7.758 28.322 51.495 0.00 0.00 -ATOM 1377 H2 H2O C 459 6.898 29.660 51.126 0.00 0.00 -ATOM 1378 O1 H2O C 460 49.431 57.045 15.775 0.00 0.00 -ATOM 1379 H1 H2O C 460 48.948 56.441 16.409 0.00 0.00 -ATOM 1380 H2 H2O C 460 49.807 57.824 16.278 0.00 0.00 -ATOM 1381 O1 H2O C 461 33.269 14.304 14.520 0.00 0.00 -ATOM 1382 H1 H2O C 461 33.459 13.350 14.751 0.00 0.00 -ATOM 1383 H2 H2O C 461 34.093 14.852 14.663 0.00 0.00 -ATOM 1384 O1 H2O C 462 28.371 15.115 33.219 0.00 0.00 -ATOM 1385 H1 H2O C 462 28.477 15.424 34.165 0.00 0.00 -ATOM 1386 H2 H2O C 462 29.071 14.432 33.011 0.00 0.00 -ATOM 1387 O1 H2O C 463 55.843 13.071 51.119 0.00 0.00 -ATOM 1388 H1 H2O C 463 55.175 12.953 51.853 0.00 0.00 -ATOM 1389 H2 H2O C 463 55.534 13.791 50.498 0.00 0.00 -ATOM 1390 O1 H2O C 464 25.971 53.419 3.814 0.00 0.00 -ATOM 1391 H1 H2O C 464 25.320 52.916 3.246 0.00 0.00 -ATOM 1392 H2 H2O C 464 26.184 54.294 3.381 0.00 0.00 -ATOM 1393 O1 H2O C 465 23.844 17.707 32.269 0.00 0.00 -ATOM 1394 H1 H2O C 465 24.477 17.494 31.524 0.00 0.00 -ATOM 1395 H2 H2O C 465 23.142 16.996 32.323 0.00 0.00 -ATOM 1396 O1 H2O C 466 53.922 32.532 11.474 0.00 0.00 -ATOM 1397 H1 H2O C 466 53.064 32.121 11.782 0.00 0.00 -ATOM 1398 H2 H2O C 466 53.849 32.772 10.506 0.00 0.00 -ATOM 1399 O1 H2O C 467 44.779 47.293 5.906 0.00 0.00 -ATOM 1400 H1 H2O C 467 43.928 47.799 6.047 0.00 0.00 -ATOM 1401 H2 H2O C 467 45.190 47.569 5.037 0.00 0.00 -ATOM 1402 O1 H2O C 468 52.058 46.739 7.904 0.00 0.00 -ATOM 1403 H1 H2O C 468 51.203 46.565 7.416 0.00 0.00 -ATOM 1404 H2 H2O C 468 52.523 45.872 8.081 0.00 0.00 -ATOM 1405 O1 H2O C 469 37.217 25.102 37.065 0.00 0.00 -ATOM 1406 H1 H2O C 469 36.850 24.381 36.478 0.00 0.00 -ATOM 1407 H2 H2O C 469 37.257 24.775 38.010 0.00 0.00 -ATOM 1408 O1 H2O C 470 35.374 44.795 20.619 0.00 0.00 -ATOM 1409 H1 H2O C 470 35.168 43.894 21.000 0.00 0.00 -ATOM 1410 H2 H2O C 470 36.359 44.875 20.464 0.00 0.00 -ATOM 1411 O1 H2O C 471 37.940 51.544 57.873 0.00 0.00 -ATOM 1412 H1 H2O C 471 38.068 52.337 57.279 0.00 0.00 -ATOM 1413 H2 H2O C 471 38.450 50.766 57.505 0.00 0.00 -ATOM 1414 O1 H2O C 472 23.022 12.336 38.556 0.00 0.00 -ATOM 1415 H1 H2O C 472 23.203 13.319 38.572 0.00 0.00 -ATOM 1416 H2 H2O C 472 22.278 12.144 37.916 0.00 0.00 -ATOM 1417 O1 H2O C 473 49.433 38.608 33.824 0.00 0.00 -ATOM 1418 H1 H2O C 473 49.419 37.808 33.224 0.00 0.00 -ATOM 1419 H2 H2O C 473 49.215 38.329 34.759 0.00 0.00 -ATOM 1420 O1 H2O C 474 29.205 25.547 15.830 0.00 0.00 -ATOM 1421 H1 H2O C 474 29.088 26.312 15.197 0.00 0.00 -ATOM 1422 H2 H2O C 474 28.532 24.837 15.622 0.00 0.00 -ATOM 1423 O1 H2O C 475 27.248 49.968 22.908 0.00 0.00 -ATOM 1424 H1 H2O C 475 26.645 49.230 23.211 0.00 0.00 -ATOM 1425 H2 H2O C 475 26.957 50.829 23.326 0.00 0.00 -ATOM 1426 O1 H2O C 476 56.225 24.762 27.123 0.00 0.00 -ATOM 1427 H1 H2O C 476 57.108 24.320 27.277 0.00 0.00 -ATOM 1428 H2 H2O C 476 55.734 24.838 27.991 0.00 0.00 -ATOM 1429 O1 H2O C 477 36.004 56.258 51.657 0.00 0.00 -ATOM 1430 H1 H2O C 477 35.466 55.988 52.457 0.00 0.00 -ATOM 1431 H2 H2O C 477 35.394 56.627 50.956 0.00 0.00 -ATOM 1432 O1 H2O C 478 8.578 38.879 37.147 0.00 0.00 -ATOM 1433 H1 H2O C 478 8.964 38.543 36.287 0.00 0.00 -ATOM 1434 H2 H2O C 478 7.953 38.195 37.522 0.00 0.00 -ATOM 1435 O1 H2O C 479 56.697 9.707 31.462 0.00 0.00 -ATOM 1436 H1 H2O C 479 56.576 10.594 31.906 0.00 0.00 -ATOM 1437 H2 H2O C 479 55.966 9.565 30.795 0.00 0.00 -ATOM 1438 O1 H2O C 480 34.164 0.383 50.831 0.00 0.00 -ATOM 1439 H1 H2O C 480 34.152 1.300 51.229 0.00 0.00 -ATOM 1440 H2 H2O C 480 33.640 0.382 49.979 0.00 0.00 -ATOM 1441 O1 H2O C 481 52.504 22.101 42.617 0.00 0.00 -ATOM 1442 H1 H2O C 481 52.416 23.083 42.451 0.00 0.00 -ATOM 1443 H2 H2O C 481 52.663 21.629 41.749 0.00 0.00 -ATOM 1444 O1 H2O C 482 20.402 40.778 19.036 0.00 0.00 -ATOM 1445 H1 H2O C 482 19.645 40.417 18.492 0.00 0.00 -ATOM 1446 H2 H2O C 482 20.996 40.026 19.321 0.00 0.00 -ATOM 1447 O1 H2O C 483 57.142 21.428 42.729 0.00 0.00 -ATOM 1448 H1 H2O C 483 57.636 21.419 41.859 0.00 0.00 -ATOM 1449 H2 H2O C 483 57.698 21.885 43.423 0.00 0.00 -ATOM 1450 O1 H2O C 484 3.942 39.120 14.149 0.00 0.00 -ATOM 1451 H1 H2O C 484 3.442 39.223 15.009 0.00 0.00 -ATOM 1452 H2 H2O C 484 3.721 38.236 13.739 0.00 0.00 -ATOM 1453 O1 H2O C 485 54.109 20.825 13.210 0.00 0.00 -ATOM 1454 H1 H2O C 485 53.199 21.086 13.532 0.00 0.00 -ATOM 1455 H2 H2O C 485 54.474 20.099 13.793 0.00 0.00 -ATOM 1456 O1 H2O C 486 51.471 33.899 28.517 0.00 0.00 -ATOM 1457 H1 H2O C 486 50.488 33.765 28.392 0.00 0.00 -ATOM 1458 H2 H2O C 486 51.868 33.079 28.930 0.00 0.00 -ATOM 1459 O1 H2O C 487 33.711 39.381 58.999 0.00 0.00 -ATOM 1460 H1 H2O C 487 33.524 40.358 58.897 0.00 0.00 -ATOM 1461 H2 H2O C 487 32.991 38.960 59.550 0.00 0.00 -ATOM 1462 O1 H2O C 488 44.093 38.394 32.488 0.00 0.00 -ATOM 1463 H1 H2O C 488 44.941 37.954 32.783 0.00 0.00 -ATOM 1464 H2 H2O C 488 43.771 39.013 33.205 0.00 0.00 -ATOM 1465 O1 H2O C 489 10.145 18.902 55.584 0.00 0.00 -ATOM 1466 H1 H2O C 489 9.611 19.534 55.022 0.00 0.00 -ATOM 1467 H2 H2O C 489 11.045 18.766 55.170 0.00 0.00 -ATOM 1468 O1 H2O C 490 43.811 14.883 12.682 0.00 0.00 -ATOM 1469 H1 H2O C 490 44.292 14.300 13.337 0.00 0.00 -ATOM 1470 H2 H2O C 490 44.462 15.242 12.013 0.00 0.00 -ATOM 1471 O1 H2O C 491 8.801 29.848 46.020 0.00 0.00 -ATOM 1472 H1 H2O C 491 8.255 30.138 46.807 0.00 0.00 -ATOM 1473 H2 H2O C 491 9.772 29.873 46.261 0.00 0.00 -ATOM 1474 O1 H2O C 492 31.613 1.910 54.385 0.00 0.00 -ATOM 1475 H1 H2O C 492 31.120 1.463 53.639 0.00 0.00 -ATOM 1476 H2 H2O C 492 31.033 1.934 55.200 0.00 0.00 -ATOM 1477 O1 H2O C 493 24.297 37.476 26.075 0.00 0.00 -ATOM 1478 H1 H2O C 493 23.974 36.911 26.835 0.00 0.00 -ATOM 1479 H2 H2O C 493 24.496 38.398 26.407 0.00 0.00 -ATOM 1480 O1 H2O C 494 24.788 55.727 43.729 0.00 0.00 -ATOM 1481 H1 H2O C 494 25.769 55.870 43.864 0.00 0.00 -ATOM 1482 H2 H2O C 494 24.645 54.922 43.154 0.00 0.00 -ATOM 1483 O1 H2O C 495 24.775 11.082 13.470 0.00 0.00 -ATOM 1484 H1 H2O C 495 25.601 10.726 13.908 0.00 0.00 -ATOM 1485 H2 H2O C 495 24.634 12.032 13.749 0.00 0.00 -ATOM 1486 O1 H2O C 496 2.607 43.010 51.958 0.00 0.00 -ATOM 1487 H1 H2O C 496 1.776 43.236 51.449 0.00 0.00 -ATOM 1488 H2 H2O C 496 2.432 43.105 52.939 0.00 0.00 -ATOM 1489 O1 H2O C 497 51.197 31.799 52.686 0.00 0.00 -ATOM 1490 H1 H2O C 497 51.123 32.781 52.861 0.00 0.00 -ATOM 1491 H2 H2O C 497 52.151 31.565 52.498 0.00 0.00 -ATOM 1492 O1 H2O C 498 53.230 25.394 3.025 0.00 0.00 -ATOM 1493 H1 H2O C 498 52.823 24.725 2.403 0.00 0.00 -ATOM 1494 H2 H2O C 498 53.953 25.895 2.549 0.00 0.00 -ATOM 1495 O1 H2O C 499 14.344 45.597 43.401 0.00 0.00 -ATOM 1496 H1 H2O C 499 13.995 46.528 43.294 0.00 0.00 -ATOM 1497 H2 H2O C 499 14.784 45.506 44.294 0.00 0.00 -ATOM 1498 O1 H2O C 500 58.842 18.334 59.756 0.00 0.00 -ATOM 1499 H1 H2O C 500 59.471 18.327 58.978 0.00 0.00 -ATOM 1500 H2 H2O C 500 59.337 18.603 60.582 0.00 0.00 -ATOM 1501 O1 H2O C 501 25.702 22.999 54.188 0.00 0.00 -ATOM 1502 H1 H2O C 501 25.445 23.503 55.013 0.00 0.00 -ATOM 1503 H2 H2O C 501 26.366 23.534 53.664 0.00 0.00 -ATOM 1504 O1 H2O C 502 11.654 3.477 16.539 0.00 0.00 -ATOM 1505 H1 H2O C 502 11.122 2.643 16.391 0.00 0.00 -ATOM 1506 H2 H2O C 502 12.047 3.781 15.671 0.00 0.00 -ATOM 1507 O1 H2O C 503 51.202 5.172 46.992 0.00 0.00 -ATOM 1508 H1 H2O C 503 51.019 4.189 47.024 0.00 0.00 -ATOM 1509 H2 H2O C 503 52.101 5.356 47.393 0.00 0.00 -ATOM 1510 O1 H2O C 504 40.824 35.501 43.386 0.00 0.00 -ATOM 1511 H1 H2O C 504 40.417 35.879 42.555 0.00 0.00 -ATOM 1512 H2 H2O C 504 40.414 34.611 43.584 0.00 0.00 -ATOM 1513 O1 H2O C 505 36.923 30.623 40.274 0.00 0.00 -ATOM 1514 H1 H2O C 505 37.063 31.481 40.769 0.00 0.00 -ATOM 1515 H2 H2O C 505 37.721 30.034 40.394 0.00 0.00 -ATOM 1516 O1 H2O C 506 15.574 33.658 57.943 0.00 0.00 -ATOM 1517 H1 H2O C 506 15.744 34.589 58.267 0.00 0.00 -ATOM 1518 H2 H2O C 506 16.435 33.247 57.644 0.00 0.00 -ATOM 1519 O1 H2O C 507 22.219 25.653 31.082 0.00 0.00 -ATOM 1520 H1 H2O C 507 23.040 25.812 31.632 0.00 0.00 -ATOM 1521 H2 H2O C 507 21.446 26.141 31.488 0.00 0.00 -ATOM 1522 O1 H2O C 508 16.420 57.854 10.204 0.00 0.00 -ATOM 1523 H1 H2O C 508 17.097 57.156 10.439 0.00 0.00 -ATOM 1524 H2 H2O C 508 15.949 58.154 11.034 0.00 0.00 -ATOM 1525 O1 H2O C 509 38.667 3.980 34.071 0.00 0.00 -ATOM 1526 H1 H2O C 509 38.267 4.034 33.156 0.00 0.00 -ATOM 1527 H2 H2O C 509 39.381 3.281 34.083 0.00 0.00 -ATOM 1528 O1 H2O C 510 33.051 54.333 14.135 0.00 0.00 -ATOM 1529 H1 H2O C 510 33.745 53.866 13.586 0.00 0.00 -ATOM 1530 H2 H2O C 510 32.361 53.673 14.431 0.00 0.00 -ATOM 1531 O1 H2O C 511 24.507 8.883 48.001 0.00 0.00 -ATOM 1532 H1 H2O C 511 24.989 9.704 48.307 0.00 0.00 -ATOM 1533 H2 H2O C 511 25.169 8.157 47.817 0.00 0.00 -ATOM 1534 O1 H2O C 512 44.362 21.260 26.810 0.00 0.00 -ATOM 1535 H1 H2O C 512 43.841 20.416 26.935 0.00 0.00 -ATOM 1536 H2 H2O C 512 44.159 21.891 27.559 0.00 0.00 -ATOM 1537 O1 H2O C 513 46.677 44.480 47.980 0.00 0.00 -ATOM 1538 H1 H2O C 513 46.775 44.570 46.989 0.00 0.00 -ATOM 1539 H2 H2O C 513 45.918 43.862 48.185 0.00 0.00 -ATOM 1540 O1 H2O C 514 15.678 28.651 40.494 0.00 0.00 -ATOM 1541 H1 H2O C 514 16.084 28.323 39.641 0.00 0.00 -ATOM 1542 H2 H2O C 514 16.266 29.355 40.894 0.00 0.00 -ATOM 1543 O1 H2O C 515 54.287 7.388 22.045 0.00 0.00 -ATOM 1544 H1 H2O C 515 55.251 7.172 21.892 0.00 0.00 -ATOM 1545 H2 H2O C 515 54.215 8.182 22.649 0.00 0.00 -ATOM 1546 O1 H2O C 516 19.276 58.792 52.496 0.00 0.00 -ATOM 1547 H1 H2O C 516 18.902 59.634 52.885 0.00 0.00 -ATOM 1548 H2 H2O C 516 18.602 58.058 52.580 0.00 0.00 -ATOM 1549 O1 H2O C 517 49.606 45.851 54.605 0.00 0.00 -ATOM 1550 H1 H2O C 517 48.985 45.806 55.387 0.00 0.00 -ATOM 1551 H2 H2O C 517 49.358 46.628 54.026 0.00 0.00 -ATOM 1552 O1 H2O C 518 38.149 20.000 11.204 0.00 0.00 -ATOM 1553 H1 H2O C 518 38.296 20.851 11.708 0.00 0.00 -ATOM 1554 H2 H2O C 518 37.983 20.207 10.240 0.00 0.00 -ATOM 1555 O1 H2O C 519 3.957 20.325 8.794 0.00 0.00 -ATOM 1556 H1 H2O C 519 4.317 19.410 8.972 0.00 0.00 -ATOM 1557 H2 H2O C 519 3.018 20.254 8.457 0.00 0.00 -ATOM 1558 O1 H2O C 520 52.121 40.934 22.085 0.00 0.00 -ATOM 1559 H1 H2O C 520 51.831 40.408 21.286 0.00 0.00 -ATOM 1560 H2 H2O C 520 51.319 41.191 22.624 0.00 0.00 -ATOM 1561 O1 H2O C 521 47.814 27.519 21.707 0.00 0.00 -ATOM 1562 H1 H2O C 521 47.746 26.749 22.341 0.00 0.00 -ATOM 1563 H2 H2O C 521 46.943 28.011 21.686 0.00 0.00 -ATOM 1564 O1 H2O C 522 53.011 25.878 4.196 0.00 0.00 -ATOM 1565 H1 H2O C 522 52.798 26.340 3.335 0.00 0.00 -ATOM 1566 H2 H2O C 522 52.181 25.459 4.564 0.00 0.00 -ATOM 1567 O1 H2O C 523 51.941 30.412 33.848 0.00 0.00 -ATOM 1568 H1 H2O C 523 51.814 30.175 34.811 0.00 0.00 -ATOM 1569 H2 H2O C 523 52.882 30.716 33.701 0.00 0.00 -ATOM 1570 O1 H2O C 524 44.199 58.502 25.565 0.00 0.00 -ATOM 1571 H1 H2O C 524 44.066 57.511 25.609 0.00 0.00 -ATOM 1572 H2 H2O C 524 45.144 58.722 25.805 0.00 0.00 -ATOM 1573 O1 H2O C 525 42.815 40.995 50.246 0.00 0.00 -ATOM 1574 H1 H2O C 525 43.675 41.377 50.586 0.00 0.00 -ATOM 1575 H2 H2O C 525 42.115 41.065 50.957 0.00 0.00 -ATOM 1576 O1 H2O C 526 45.269 48.352 0.464 0.00 0.00 -ATOM 1577 H1 H2O C 526 44.700 47.804 -0.148 0.00 0.00 -ATOM 1578 H2 H2O C 526 45.990 48.801 -0.064 0.00 0.00 -ATOM 1579 O1 H2O C 527 19.833 26.876 28.109 0.00 0.00 -ATOM 1580 H1 H2O C 527 18.921 27.194 28.366 0.00 0.00 -ATOM 1581 H2 H2O C 527 19.753 26.083 27.505 0.00 0.00 -ATOM 1582 O1 H2O C 528 4.159 54.402 30.536 0.00 0.00 -ATOM 1583 H1 H2O C 528 3.503 53.999 29.898 0.00 0.00 -ATOM 1584 H2 H2O C 528 4.472 55.283 30.181 0.00 0.00 -ATOM 1585 O1 H2O C 529 54.344 22.500 17.716 0.00 0.00 -ATOM 1586 H1 H2O C 529 54.331 23.483 17.531 0.00 0.00 -ATOM 1587 H2 H2O C 529 53.501 22.085 17.372 0.00 0.00 -ATOM 1588 O1 H2O C 530 52.214 6.878 25.623 0.00 0.00 -ATOM 1589 H1 H2O C 530 52.733 7.577 26.114 0.00 0.00 -ATOM 1590 H2 H2O C 530 51.421 7.299 25.183 0.00 0.00 -ATOM 1591 O1 H2O C 531 44.524 14.384 10.485 0.00 0.00 -ATOM 1592 H1 H2O C 531 43.757 14.922 10.834 0.00 0.00 -ATOM 1593 H2 H2O C 531 44.229 13.440 10.337 0.00 0.00 -ATOM 1594 O1 H2O C 532 14.257 18.099 22.692 0.00 0.00 -ATOM 1595 H1 H2O C 532 14.908 18.112 21.933 0.00 0.00 -ATOM 1596 H2 H2O C 532 14.698 17.716 23.504 0.00 0.00 -ATOM 1597 O1 H2O C 533 36.258 20.994 8.174 0.00 0.00 -ATOM 1598 H1 H2O C 533 36.178 20.651 7.238 0.00 0.00 -ATOM 1599 H2 H2O C 533 36.400 20.227 8.799 0.00 0.00 -ATOM 1600 O1 H2O C 534 23.660 6.882 20.629 0.00 0.00 -ATOM 1601 H1 H2O C 534 23.762 6.495 21.545 0.00 0.00 -ATOM 1602 H2 H2O C 534 23.947 6.208 19.948 0.00 0.00 -ATOM 1603 O1 H2O C 535 35.141 56.295 2.439 0.00 0.00 -ATOM 1604 H1 H2O C 535 35.985 56.616 2.869 0.00 0.00 -ATOM 1605 H2 H2O C 535 34.714 57.048 1.939 0.00 0.00 -ATOM 1606 O1 H2O C 536 49.426 28.189 59.521 0.00 0.00 -ATOM 1607 H1 H2O C 536 50.295 28.489 59.129 0.00 0.00 -ATOM 1608 H2 H2O C 536 49.586 27.414 60.132 0.00 0.00 -ATOM 1609 O1 H2O C 537 26.603 4.816 21.666 0.00 0.00 -ATOM 1610 H1 H2O C 537 27.323 5.097 21.032 0.00 0.00 -ATOM 1611 H2 H2O C 537 26.720 3.850 21.897 0.00 0.00 -ATOM 1612 O1 H2O C 538 18.647 41.614 46.618 0.00 0.00 -ATOM 1613 H1 H2O C 538 19.477 41.508 46.070 0.00 0.00 -ATOM 1614 H2 H2O C 538 17.892 41.132 46.175 0.00 0.00 -ATOM 1615 O1 H2O C 539 36.570 5.265 21.790 0.00 0.00 -ATOM 1616 H1 H2O C 539 36.000 5.435 22.594 0.00 0.00 -ATOM 1617 H2 H2O C 539 36.403 5.975 21.107 0.00 0.00 -ATOM 1618 O1 H2O C 540 50.440 15.860 9.875 0.00 0.00 -ATOM 1619 H1 H2O C 540 50.521 14.887 9.658 0.00 0.00 -ATOM 1620 H2 H2O C 540 50.963 16.394 9.210 0.00 0.00 -ATOM 1621 O1 H2O C 541 37.438 15.519 4.806 0.00 0.00 -ATOM 1622 H1 H2O C 541 38.053 14.743 4.664 0.00 0.00 -ATOM 1623 H2 H2O C 541 36.510 15.183 4.966 0.00 0.00 -ATOM 1624 O1 H2O C 542 47.007 6.846 22.497 0.00 0.00 -ATOM 1625 H1 H2O C 542 47.313 5.985 22.904 0.00 0.00 -ATOM 1626 H2 H2O C 542 47.614 7.585 22.787 0.00 0.00 -ATOM 1627 O1 H2O C 543 57.938 1.115 31.367 0.00 0.00 -ATOM 1628 H1 H2O C 543 57.132 0.706 31.793 0.00 0.00 -ATOM 1629 H2 H2O C 543 58.176 1.960 31.846 0.00 0.00 -ATOM 1630 O1 H2O C 544 40.407 39.019 46.629 0.00 0.00 -ATOM 1631 H1 H2O C 544 41.401 39.125 46.642 0.00 0.00 -ATOM 1632 H2 H2O C 544 40.154 38.186 47.122 0.00 0.00 -ATOM 1633 O1 H2O C 545 48.132 6.840 18.804 0.00 0.00 -ATOM 1634 H1 H2O C 545 47.737 7.669 18.409 0.00 0.00 -ATOM 1635 H2 H2O C 545 47.774 6.039 18.324 0.00 0.00 -ATOM 1636 O1 H2O C 546 18.216 20.855 13.092 0.00 0.00 -ATOM 1637 H1 H2O C 546 17.768 21.374 13.820 0.00 0.00 -ATOM 1638 H2 H2O C 546 18.455 21.472 12.342 0.00 0.00 -ATOM 1639 O1 H2O C 547 49.364 11.370 14.696 0.00 0.00 -ATOM 1640 H1 H2O C 547 49.877 10.615 15.102 0.00 0.00 -ATOM 1641 H2 H2O C 547 49.468 12.188 15.262 0.00 0.00 -ATOM 1642 O1 H2O C 548 13.619 11.986 59.243 0.00 0.00 -ATOM 1643 H1 H2O C 548 13.580 11.593 58.324 0.00 0.00 -ATOM 1644 H2 H2O C 548 12.750 11.826 59.711 0.00 0.00 -ATOM 1645 O1 H2O C 549 24.348 45.175 6.062 0.00 0.00 -ATOM 1646 H1 H2O C 549 23.393 45.450 6.170 0.00 0.00 -ATOM 1647 H2 H2O C 549 24.632 44.635 6.854 0.00 0.00 -ATOM 1648 O1 H2O C 550 52.807 2.267 43.211 0.00 0.00 -ATOM 1649 H1 H2O C 550 53.276 3.033 43.650 0.00 0.00 -ATOM 1650 H2 H2O C 550 52.084 1.929 43.814 0.00 0.00 -ATOM 1651 O1 H2O C 551 14.504 7.406 38.917 0.00 0.00 -ATOM 1652 H1 H2O C 551 14.844 7.205 37.998 0.00 0.00 -ATOM 1653 H2 H2O C 551 14.990 8.198 39.286 0.00 0.00 -ATOM 1654 O1 H2O C 552 49.796 52.569 23.430 0.00 0.00 -ATOM 1655 H1 H2O C 552 50.076 52.446 24.382 0.00 0.00 -ATOM 1656 H2 H2O C 552 50.097 53.467 23.108 0.00 0.00 -ATOM 1657 O1 H2O C 553 54.485 31.618 43.283 0.00 0.00 -ATOM 1658 H1 H2O C 553 54.104 30.723 43.515 0.00 0.00 -ATOM 1659 H2 H2O C 553 53.744 32.243 43.040 0.00 0.00 -ATOM 1660 O1 H2O C 554 43.038 26.691 20.869 0.00 0.00 -ATOM 1661 H1 H2O C 554 42.738 27.644 20.913 0.00 0.00 -ATOM 1662 H2 H2O C 554 42.242 26.096 20.756 0.00 0.00 -ATOM 1663 O1 H2O C 555 48.433 23.617 33.353 0.00 0.00 -ATOM 1664 H1 H2O C 555 48.781 24.541 33.513 0.00 0.00 -ATOM 1665 H2 H2O C 555 49.198 23.001 33.162 0.00 0.00 -ATOM 1666 O1 H2O C 556 56.037 37.519 6.324 0.00 0.00 -ATOM 1667 H1 H2O C 556 55.712 38.191 5.659 0.00 0.00 -ATOM 1668 H2 H2O C 556 55.298 36.880 6.541 0.00 0.00 -ATOM 1669 O1 H2O C 557 24.694 37.203 17.624 0.00 0.00 -ATOM 1670 H1 H2O C 557 24.432 38.002 18.165 0.00 0.00 -ATOM 1671 H2 H2O C 557 25.544 36.820 17.985 0.00 0.00 -ATOM 1672 O1 H2O C 558 3.585 55.986 53.374 0.00 0.00 -ATOM 1673 H1 H2O C 558 3.895 55.797 54.305 0.00 0.00 -ATOM 1674 H2 H2O C 558 3.956 55.296 52.752 0.00 0.00 -ATOM 1675 O1 H2O C 559 38.386 58.941 18.121 0.00 0.00 -ATOM 1676 H1 H2O C 559 38.481 58.853 19.112 0.00 0.00 -ATOM 1677 H2 H2O C 559 38.030 59.849 17.899 0.00 0.00 -ATOM 1678 O1 H2O C 560 16.051 22.207 45.878 0.00 0.00 -ATOM 1679 H1 H2O C 560 15.343 22.139 46.581 0.00 0.00 -ATOM 1680 H2 H2O C 560 16.928 22.423 46.308 0.00 0.00 -ATOM 1681 O1 H2O C 561 53.769 31.951 45.471 0.00 0.00 -ATOM 1682 H1 H2O C 561 54.753 31.795 45.550 0.00 0.00 -ATOM 1683 H2 H2O C 561 53.537 32.139 44.516 0.00 0.00 -ATOM 1684 O1 H2O C 562 24.370 56.961 48.457 0.00 0.00 -ATOM 1685 H1 H2O C 562 23.759 57.352 47.768 0.00 0.00 -ATOM 1686 H2 H2O C 562 23.892 56.905 49.334 0.00 0.00 -ATOM 1687 O1 H2O C 563 25.249 29.641 40.082 0.00 0.00 -ATOM 1688 H1 H2O C 563 24.881 29.274 39.228 0.00 0.00 -ATOM 1689 H2 H2O C 563 25.131 28.968 40.812 0.00 0.00 -ATOM 1690 O1 H2O C 564 4.735 29.256 4.755 0.00 0.00 -ATOM 1691 H1 H2O C 564 4.556 29.488 3.799 0.00 0.00 -ATOM 1692 H2 H2O C 564 5.482 28.593 4.802 0.00 0.00 -ATOM 1693 O1 H2O C 565 8.858 55.050 15.897 0.00 0.00 -ATOM 1694 H1 H2O C 565 8.759 55.075 16.892 0.00 0.00 -ATOM 1695 H2 H2O C 565 9.692 54.553 15.657 0.00 0.00 -ATOM 1696 O1 H2O C 566 8.372 0.364 27.073 0.00 0.00 -ATOM 1697 H1 H2O C 566 8.613 -0.047 27.952 0.00 0.00 -ATOM 1698 H2 H2O C 566 7.515 0.871 27.165 0.00 0.00 -ATOM 1699 O1 H2O C 567 42.516 15.773 25.505 0.00 0.00 -ATOM 1700 H1 H2O C 567 42.013 15.120 24.939 0.00 0.00 -ATOM 1701 H2 H2O C 567 42.298 15.617 26.468 0.00 0.00 -ATOM 1702 O1 H2O C 568 19.845 41.267 1.802 0.00 0.00 -ATOM 1703 H1 H2O C 568 19.238 41.836 1.248 0.00 0.00 -ATOM 1704 H2 H2O C 568 20.196 41.803 2.570 0.00 0.00 -ATOM 1705 O1 H2O C 569 50.154 39.371 21.175 0.00 0.00 -ATOM 1706 H1 H2O C 569 49.410 40.027 21.049 0.00 0.00 -ATOM 1707 H2 H2O C 569 50.962 39.683 20.676 0.00 0.00 -ATOM 1708 O1 H2O C 570 57.337 4.540 24.706 0.00 0.00 -ATOM 1709 H1 H2O C 570 57.422 3.717 25.269 0.00 0.00 -ATOM 1710 H2 H2O C 570 56.881 4.310 23.846 0.00 0.00 -ATOM 1711 O1 H2O C 571 47.922 35.001 48.373 0.00 0.00 -ATOM 1712 H1 H2O C 571 47.797 35.739 47.710 0.00 0.00 -ATOM 1713 H2 H2O C 571 48.474 35.331 49.139 0.00 0.00 -ATOM 1714 O1 H2O C 572 15.854 31.912 46.216 0.00 0.00 -ATOM 1715 H1 H2O C 572 16.154 31.267 45.513 0.00 0.00 -ATOM 1716 H2 H2O C 572 15.909 31.475 47.114 0.00 0.00 -ATOM 1717 O1 H2O C 573 34.228 15.684 10.935 0.00 0.00 -ATOM 1718 H1 H2O C 573 34.085 15.655 9.946 0.00 0.00 -ATOM 1719 H2 H2O C 573 33.666 14.983 11.374 0.00 0.00 -ATOM 1720 O1 H2O C 574 31.649 30.484 7.618 0.00 0.00 -ATOM 1721 H1 H2O C 574 30.937 30.455 6.917 0.00 0.00 -ATOM 1722 H2 H2O C 574 32.171 31.332 7.527 0.00 0.00 -ATOM 1723 O1 H2O C 575 44.710 31.163 22.765 0.00 0.00 -ATOM 1724 H1 H2O C 575 44.497 30.193 22.642 0.00 0.00 -ATOM 1725 H2 H2O C 575 45.675 31.321 22.558 0.00 0.00 -ATOM 1726 O1 H2O C 576 56.667 50.586 7.756 0.00 0.00 -ATOM 1727 H1 H2O C 576 57.459 51.019 8.185 0.00 0.00 -ATOM 1728 H2 H2O C 576 56.151 51.270 7.241 0.00 0.00 -ATOM 1729 O1 H2O C 577 5.783 58.814 55.103 0.00 0.00 -ATOM 1730 H1 H2O C 577 5.227 58.256 55.719 0.00 0.00 -ATOM 1731 H2 H2O C 577 5.608 59.783 55.282 0.00 0.00 -ATOM 1732 O1 H2O C 578 34.620 20.419 0.699 0.00 0.00 -ATOM 1733 H1 H2O C 578 33.679 20.542 1.014 0.00 0.00 -ATOM 1734 H2 H2O C 578 34.864 21.163 0.078 0.00 0.00 -ATOM 1735 O1 H2O C 579 18.227 13.262 46.617 0.00 0.00 -ATOM 1736 H1 H2O C 579 17.738 12.392 46.665 0.00 0.00 -ATOM 1737 H2 H2O C 579 18.415 13.486 45.660 0.00 0.00 -ATOM 1738 O1 H2O C 580 50.807 36.093 55.379 0.00 0.00 -ATOM 1739 H1 H2O C 580 50.799 36.771 56.114 0.00 0.00 -ATOM 1740 H2 H2O C 580 51.689 36.121 54.908 0.00 0.00 -ATOM 1741 O1 H2O C 581 11.658 58.476 35.036 0.00 0.00 -ATOM 1742 H1 H2O C 581 11.114 59.293 35.228 0.00 0.00 -ATOM 1743 H2 H2O C 581 12.027 58.532 34.108 0.00 0.00 -ATOM 1744 O1 H2O C 582 17.418 29.428 4.009 0.00 0.00 -ATOM 1745 H1 H2O C 582 16.839 30.210 4.238 0.00 0.00 -ATOM 1746 H2 H2O C 582 16.861 28.712 3.589 0.00 0.00 -ATOM 1747 O1 H2O C 583 6.523 17.664 23.796 0.00 0.00 -ATOM 1748 H1 H2O C 583 6.532 17.100 22.970 0.00 0.00 -ATOM 1749 H2 H2O C 583 6.709 17.090 24.594 0.00 0.00 -ATOM 1750 O1 H2O C 584 28.281 48.396 43.779 0.00 0.00 -ATOM 1751 H1 H2O C 584 28.360 49.020 44.556 0.00 0.00 -ATOM 1752 H2 H2O C 584 27.608 48.754 43.131 0.00 0.00 -ATOM 1753 O1 H2O C 585 16.538 40.471 24.537 0.00 0.00 -ATOM 1754 H1 H2O C 585 15.843 39.758 24.627 0.00 0.00 -ATOM 1755 H2 H2O C 585 17.379 40.176 24.991 0.00 0.00 -ATOM 1756 O1 H2O C 586 50.727 29.473 10.943 0.00 0.00 -ATOM 1757 H1 H2O C 586 50.530 28.493 10.932 0.00 0.00 -ATOM 1758 H2 H2O C 586 51.187 29.730 10.093 0.00 0.00 -ATOM 1759 O1 H2O C 587 31.329 4.321 8.687 0.00 0.00 -ATOM 1760 H1 H2O C 587 31.772 4.282 7.791 0.00 0.00 -ATOM 1761 H2 H2O C 587 30.815 5.174 8.768 0.00 0.00 -ATOM 1762 O1 H2O C 588 2.447 47.815 36.476 0.00 0.00 -ATOM 1763 H1 H2O C 588 2.423 46.967 37.006 0.00 0.00 -ATOM 1764 H2 H2O C 588 1.715 47.803 35.795 0.00 0.00 -ATOM 1765 O1 H2O C 589 3.352 13.881 36.170 0.00 0.00 -ATOM 1766 H1 H2O C 589 3.786 13.015 35.922 0.00 0.00 -ATOM 1767 H2 H2O C 589 3.676 14.604 35.559 0.00 0.00 -ATOM 1768 O1 H2O C 590 44.984 5.516 53.425 0.00 0.00 -ATOM 1769 H1 H2O C 590 45.979 5.584 53.356 0.00 0.00 -ATOM 1770 H2 H2O C 590 44.670 6.019 54.230 0.00 0.00 -ATOM 1771 O1 H2O C 591 40.286 12.413 30.842 0.00 0.00 -ATOM 1772 H1 H2O C 591 39.388 12.454 30.403 0.00 0.00 -ATOM 1773 H2 H2O C 591 40.213 11.907 31.702 0.00 0.00 -ATOM 1774 O1 H2O C 592 5.869 6.287 11.608 0.00 0.00 -ATOM 1775 H1 H2O C 592 6.291 6.782 12.368 0.00 0.00 -ATOM 1776 H2 H2O C 592 5.145 6.848 11.206 0.00 0.00 -ATOM 1777 O1 H2O C 593 18.023 46.239 58.113 0.00 0.00 -ATOM 1778 H1 H2O C 593 17.077 46.517 57.947 0.00 0.00 -ATOM 1779 H2 H2O C 593 18.587 47.051 58.265 0.00 0.00 -ATOM 1780 O1 H2O C 594 7.712 51.875 40.413 0.00 0.00 -ATOM 1781 H1 H2O C 594 6.872 51.593 40.876 0.00 0.00 -ATOM 1782 H2 H2O C 594 7.736 52.872 40.345 0.00 0.00 -ATOM 1783 O1 H2O C 595 38.382 40.885 2.541 0.00 0.00 -ATOM 1784 H1 H2O C 595 37.595 41.099 3.119 0.00 0.00 -ATOM 1785 H2 H2O C 595 38.745 41.728 2.146 0.00 0.00 -ATOM 1786 O1 H2O C 596 41.516 18.078 34.421 0.00 0.00 -ATOM 1787 H1 H2O C 596 40.564 17.790 34.521 0.00 0.00 -ATOM 1788 H2 H2O C 596 41.552 18.948 33.930 0.00 0.00 -ATOM 1789 O1 H2O C 597 30.147 55.841 38.843 0.00 0.00 -ATOM 1790 H1 H2O C 597 29.660 56.713 38.796 0.00 0.00 -ATOM 1791 H2 H2O C 597 31.046 55.937 38.416 0.00 0.00 -ATOM 1792 O1 H2O C 598 48.121 22.172 21.186 0.00 0.00 -ATOM 1793 H1 H2O C 598 47.123 22.119 21.171 0.00 0.00 -ATOM 1794 H2 H2O C 598 48.434 22.290 22.128 0.00 0.00 -ATOM 1795 O1 H2O C 599 4.380 37.585 55.502 0.00 0.00 -ATOM 1796 H1 H2O C 599 5.135 37.943 54.952 0.00 0.00 -ATOM 1797 H2 H2O C 599 3.645 37.276 54.898 0.00 0.00 -ATOM 1798 O1 H2O C 600 28.271 22.912 14.932 0.00 0.00 -ATOM 1799 H1 H2O C 600 28.967 22.593 15.576 0.00 0.00 -ATOM 1800 H2 H2O C 600 28.534 23.808 14.575 0.00 0.00 -ATOM 1801 O1 H2O C 601 11.502 53.215 22.973 0.00 0.00 -ATOM 1802 H1 H2O C 601 12.267 53.829 23.164 0.00 0.00 -ATOM 1803 H2 H2O C 601 11.688 52.701 22.135 0.00 0.00 -ATOM 1804 O1 H2O C 602 8.130 43.082 59.031 0.00 0.00 -ATOM 1805 H1 H2O C 602 8.371 43.342 58.095 0.00 0.00 -ATOM 1806 H2 H2O C 602 7.138 42.975 59.101 0.00 0.00 -ATOM 1807 O1 H2O C 603 11.422 1.145 53.491 0.00 0.00 -ATOM 1808 H1 H2O C 603 11.278 0.188 53.239 0.00 0.00 -ATOM 1809 H2 H2O C 603 12.328 1.438 53.184 0.00 0.00 -ATOM 1810 O1 H2O C 604 8.818 55.694 15.849 0.00 0.00 -ATOM 1811 H1 H2O C 604 8.850 56.669 16.066 0.00 0.00 -ATOM 1812 H2 H2O C 604 9.745 55.319 15.861 0.00 0.00 -ATOM 1813 O1 H2O C 605 40.758 11.026 39.497 0.00 0.00 -ATOM 1814 H1 H2O C 605 40.240 11.834 39.217 0.00 0.00 -ATOM 1815 H2 H2O C 605 40.310 10.597 40.281 0.00 0.00 -ATOM 1816 O1 H2O C 606 0.970 33.421 45.491 0.00 0.00 -ATOM 1817 H1 H2O C 606 1.647 32.704 45.327 0.00 0.00 -ATOM 1818 H2 H2O C 606 1.333 34.300 45.180 0.00 0.00 -ATOM 1819 O1 H2O C 607 58.052 39.990 1.420 0.00 0.00 -ATOM 1820 H1 H2O C 607 58.043 40.888 1.860 0.00 0.00 -ATOM 1821 H2 H2O C 607 58.165 39.280 2.115 0.00 0.00 -ATOM 1822 O1 H2O C 608 55.678 53.423 16.145 0.00 0.00 -ATOM 1823 H1 H2O C 608 55.264 52.851 15.436 0.00 0.00 -ATOM 1824 H2 H2O C 608 56.092 52.841 16.844 0.00 0.00 -ATOM 1825 O1 H2O C 609 51.874 59.687 52.338 0.00 0.00 -ATOM 1826 H1 H2O C 609 51.287 60.497 52.359 0.00 0.00 -ATOM 1827 H2 H2O C 609 51.842 59.230 53.227 0.00 0.00 -ATOM 1828 O1 H2O C 610 21.277 15.315 26.456 0.00 0.00 -ATOM 1829 H1 H2O C 610 20.547 15.709 25.898 0.00 0.00 -ATOM 1830 H2 H2O C 610 22.165 15.598 26.092 0.00 0.00 -ATOM 1831 O1 H2O C 611 48.750 51.976 41.707 0.00 0.00 -ATOM 1832 H1 H2O C 611 48.666 52.270 40.755 0.00 0.00 -ATOM 1833 H2 H2O C 611 48.358 51.062 41.809 0.00 0.00 -ATOM 1834 O1 H2O C 612 34.361 50.586 32.567 0.00 0.00 -ATOM 1835 H1 H2O C 612 35.303 50.624 32.901 0.00 0.00 -ATOM 1836 H2 H2O C 612 34.365 50.454 31.575 0.00 0.00 -ATOM 1837 O1 H2O C 613 27.867 3.624 8.532 0.00 0.00 -ATOM 1838 H1 H2O C 613 28.632 4.018 9.042 0.00 0.00 -ATOM 1839 H2 H2O C 613 27.686 2.698 8.865 0.00 0.00 -ATOM 1840 O1 H2O C 614 50.519 4.381 28.888 0.00 0.00 -ATOM 1841 H1 H2O C 614 49.979 4.802 28.159 0.00 0.00 -ATOM 1842 H2 H2O C 614 50.982 3.569 28.534 0.00 0.00 -ATOM 1843 O1 H2O C 615 49.235 38.485 43.397 0.00 0.00 -ATOM 1844 H1 H2O C 615 49.883 38.101 42.740 0.00 0.00 -ATOM 1845 H2 H2O C 615 49.730 38.816 44.200 0.00 0.00 -ATOM 1846 O1 H2O C 616 17.958 55.226 6.064 0.00 0.00 -ATOM 1847 H1 H2O C 616 17.688 56.096 5.652 0.00 0.00 -ATOM 1848 H2 H2O C 616 17.539 54.473 5.558 0.00 0.00 -ATOM 1849 O1 H2O C 617 5.134 23.432 46.432 0.00 0.00 -ATOM 1850 H1 H2O C 617 4.278 22.971 46.200 0.00 0.00 -ATOM 1851 H2 H2O C 617 4.971 24.415 46.519 0.00 0.00 -ATOM 1852 O1 H2O C 618 20.853 28.104 14.323 0.00 0.00 -ATOM 1853 H1 H2O C 618 20.618 27.363 13.693 0.00 0.00 -ATOM 1854 H2 H2O C 618 20.070 28.718 14.423 0.00 0.00 -ATOM 1855 O1 H2O C 619 24.813 30.819 36.688 0.00 0.00 -ATOM 1856 H1 H2O C 619 25.324 30.194 36.097 0.00 0.00 -ATOM 1857 H2 H2O C 619 24.122 30.306 37.197 0.00 0.00 -ATOM 1858 O1 H2O C 620 45.282 21.328 14.589 0.00 0.00 -ATOM 1859 H1 H2O C 620 45.105 22.311 14.529 0.00 0.00 -ATOM 1860 H2 H2O C 620 46.193 21.176 14.972 0.00 0.00 -ATOM 1861 O1 H2O C 621 16.528 1.440 46.084 0.00 0.00 -ATOM 1862 H1 H2O C 621 16.679 0.629 46.649 0.00 0.00 -ATOM 1863 H2 H2O C 621 17.272 2.093 46.232 0.00 0.00 -ATOM 1864 O1 H2O C 622 33.182 41.719 29.887 0.00 0.00 -ATOM 1865 H1 H2O C 622 32.447 42.265 29.485 0.00 0.00 -ATOM 1866 H2 H2O C 622 32.788 40.973 30.424 0.00 0.00 -ATOM 1867 O1 H2O C 623 30.812 47.798 42.538 0.00 0.00 -ATOM 1868 H1 H2O C 623 30.872 46.873 42.165 0.00 0.00 -ATOM 1869 H2 H2O C 623 31.221 48.445 41.895 0.00 0.00 -ATOM 1870 O1 H2O C 624 41.194 42.081 38.448 0.00 0.00 -ATOM 1871 H1 H2O C 624 42.156 42.352 38.490 0.00 0.00 -ATOM 1872 H2 H2O C 624 40.897 42.053 37.494 0.00 0.00 -ATOM 1873 O1 H2O C 625 14.689 53.823 18.380 0.00 0.00 -ATOM 1874 H1 H2O C 625 14.864 53.910 17.399 0.00 0.00 -ATOM 1875 H2 H2O C 625 15.552 53.660 18.859 0.00 0.00 -ATOM 1876 O1 H2O C 626 18.020 24.214 22.048 0.00 0.00 -ATOM 1877 H1 H2O C 626 18.099 25.209 22.116 0.00 0.00 -ATOM 1878 H2 H2O C 626 18.641 23.784 22.703 0.00 0.00 -ATOM 1879 O1 H2O C 627 17.750 52.189 34.913 0.00 0.00 -ATOM 1880 H1 H2O C 627 18.746 52.264 34.851 0.00 0.00 -ATOM 1881 H2 H2O C 627 17.407 52.847 35.584 0.00 0.00 -ATOM 1882 O1 H2O C 628 23.980 56.482 41.352 0.00 0.00 -ATOM 1883 H1 H2O C 628 24.717 57.032 41.745 0.00 0.00 -ATOM 1884 H2 H2O C 628 24.324 55.568 41.137 0.00 0.00 -ATOM 1885 O1 H2O C 629 30.040 5.677 11.849 0.00 0.00 -ATOM 1886 H1 H2O C 629 30.757 4.990 11.966 0.00 0.00 -ATOM 1887 H2 H2O C 629 29.887 5.837 10.874 0.00 0.00 -ATOM 1888 O1 H2O C 630 10.002 30.436 34.363 0.00 0.00 -ATOM 1889 H1 H2O C 630 10.825 29.962 34.674 0.00 0.00 -ATOM 1890 H2 H2O C 630 9.459 30.716 35.154 0.00 0.00 -ATOM 1891 O1 H2O C 631 13.293 38.501 25.791 0.00 0.00 -ATOM 1892 H1 H2O C 631 12.695 39.283 25.965 0.00 0.00 -ATOM 1893 H2 H2O C 631 13.252 38.258 24.822 0.00 0.00 -ATOM 1894 O1 H2O C 632 28.095 4.517 40.853 0.00 0.00 -ATOM 1895 H1 H2O C 632 28.720 4.342 41.615 0.00 0.00 -ATOM 1896 H2 H2O C 632 27.153 4.514 41.187 0.00 0.00 -ATOM 1897 O1 H2O C 633 35.522 40.959 17.991 0.00 0.00 -ATOM 1898 H1 H2O C 633 35.885 40.082 18.308 0.00 0.00 -ATOM 1899 H2 H2O C 633 34.543 40.867 17.806 0.00 0.00 -ATOM 1900 O1 H2O C 634 28.353 54.379 2.196 0.00 0.00 -ATOM 1901 H1 H2O C 634 27.621 53.698 2.173 0.00 0.00 -ATOM 1902 H2 H2O C 634 29.238 53.916 2.245 0.00 0.00 -ATOM 1903 O1 H2O C 635 46.888 52.905 11.554 0.00 0.00 -ATOM 1904 H1 H2O C 635 46.678 52.507 12.448 0.00 0.00 -ATOM 1905 H2 H2O C 635 47.252 53.828 11.677 0.00 0.00 -ATOM 1906 O1 H2O C 636 36.114 14.410 4.797 0.00 0.00 -ATOM 1907 H1 H2O C 636 36.798 14.408 4.068 0.00 0.00 -ATOM 1908 H2 H2O C 636 35.208 14.250 4.406 0.00 0.00 -ATOM 1909 O1 H2O C 637 15.673 27.020 4.463 0.00 0.00 -ATOM 1910 H1 H2O C 637 16.242 27.702 4.004 0.00 0.00 -ATOM 1911 H2 H2O C 637 15.068 26.587 3.794 0.00 0.00 -ATOM 1912 O1 H2O C 638 7.252 28.978 11.195 0.00 0.00 -ATOM 1913 H1 H2O C 638 7.114 28.001 11.030 0.00 0.00 -ATOM 1914 H2 H2O C 638 7.608 29.112 12.120 0.00 0.00 -ATOM 1915 O1 H2O C 639 22.506 54.484 18.925 0.00 0.00 -ATOM 1916 H1 H2O C 639 22.357 54.232 17.969 0.00 0.00 -ATOM 1917 H2 H2O C 639 22.251 53.718 19.515 0.00 0.00 -ATOM 1918 O1 H2O C 640 45.716 8.890 51.810 0.00 0.00 -ATOM 1919 H1 H2O C 640 45.929 8.258 52.555 0.00 0.00 -ATOM 1920 H2 H2O C 640 44.831 8.648 51.411 0.00 0.00 -ATOM 1921 O1 H2O C 641 37.903 49.726 42.158 0.00 0.00 -ATOM 1922 H1 H2O C 641 38.290 50.562 41.769 0.00 0.00 -ATOM 1923 H2 H2O C 641 38.583 48.994 42.120 0.00 0.00 -ATOM 1924 O1 H2O C 642 57.994 20.225 20.703 0.00 0.00 -ATOM 1925 H1 H2O C 642 58.656 19.476 20.667 0.00 0.00 -ATOM 1926 H2 H2O C 642 58.374 20.982 21.234 0.00 0.00 -ATOM 1927 O1 H2O C 643 16.536 10.645 21.748 0.00 0.00 -ATOM 1928 H1 H2O C 643 16.574 11.559 21.342 0.00 0.00 -ATOM 1929 H2 H2O C 643 17.206 10.581 22.487 0.00 0.00 -ATOM 1930 O1 H2O C 644 50.067 38.261 36.408 0.00 0.00 -ATOM 1931 H1 H2O C 644 49.233 38.252 36.959 0.00 0.00 -ATOM 1932 H2 H2O C 644 49.921 37.732 35.572 0.00 0.00 -ATOM 1933 O1 H2O C 645 0.529 44.382 23.816 0.00 0.00 -ATOM 1934 H1 H2O C 645 -0.370 44.449 24.248 0.00 0.00 -ATOM 1935 H2 H2O C 645 1.237 44.623 24.480 0.00 0.00 -ATOM 1936 O1 H2O C 646 36.932 24.192 47.085 0.00 0.00 -ATOM 1937 H1 H2O C 646 36.449 24.556 47.882 0.00 0.00 -ATOM 1938 H2 H2O C 646 37.292 24.949 46.540 0.00 0.00 -ATOM 1939 O1 H2O C 647 12.723 33.206 7.423 0.00 0.00 -ATOM 1940 H1 H2O C 647 12.507 33.824 8.179 0.00 0.00 -ATOM 1941 H2 H2O C 647 13.497 32.627 7.677 0.00 0.00 -ATOM 1942 O1 H2O C 648 30.435 11.184 7.618 0.00 0.00 -ATOM 1943 H1 H2O C 648 31.091 10.442 7.758 0.00 0.00 -ATOM 1944 H2 H2O C 648 30.672 11.954 8.210 0.00 0.00 -ATOM 1945 O1 H2O C 649 4.786 47.680 6.660 0.00 0.00 -ATOM 1946 H1 H2O C 649 5.111 48.579 6.367 0.00 0.00 -ATOM 1947 H2 H2O C 649 4.161 47.311 5.971 0.00 0.00 -ATOM 1948 O1 H2O C 650 42.042 36.526 21.593 0.00 0.00 -ATOM 1949 H1 H2O C 650 41.879 35.585 21.297 0.00 0.00 -ATOM 1950 H2 H2O C 650 43.022 36.665 21.737 0.00 0.00 -ATOM 1951 O1 H2O C 651 46.118 1.445 10.235 0.00 0.00 -ATOM 1952 H1 H2O C 651 45.799 0.655 10.759 0.00 0.00 -ATOM 1953 H2 H2O C 651 46.447 2.150 10.862 0.00 0.00 -ATOM 1954 O1 H2O C 652 11.113 59.598 55.582 0.00 0.00 -ATOM 1955 H1 H2O C 652 11.410 59.842 54.659 0.00 0.00 -ATOM 1956 H2 H2O C 652 11.708 60.041 56.252 0.00 0.00 -ATOM 1957 O1 H2O C 653 52.251 29.529 42.701 0.00 0.00 -ATOM 1958 H1 H2O C 653 52.647 28.612 42.657 0.00 0.00 -ATOM 1959 H2 H2O C 653 52.806 30.104 43.302 0.00 0.00 -ATOM 1960 O1 H2O C 654 39.905 56.438 32.305 0.00 0.00 -ATOM 1961 H1 H2O C 654 40.172 55.888 31.514 0.00 0.00 -ATOM 1962 H2 H2O C 654 39.444 57.269 31.993 0.00 0.00 -ATOM 1963 O1 H2O C 655 50.388 11.990 3.854 0.00 0.00 -ATOM 1964 H1 H2O C 655 50.610 11.378 4.613 0.00 0.00 -ATOM 1965 H2 H2O C 655 50.633 12.927 4.099 0.00 0.00 -ATOM 1966 O1 H2O C 656 53.315 43.144 60.089 0.00 0.00 -ATOM 1967 H1 H2O C 656 53.450 42.175 60.298 0.00 0.00 -ATOM 1968 H2 H2O C 656 52.707 43.233 59.301 0.00 0.00 -ATOM 1969 O1 H2O C 657 2.914 38.570 0.605 0.00 0.00 -ATOM 1970 H1 H2O C 657 2.097 39.119 0.783 0.00 0.00 -ATOM 1971 H2 H2O C 657 3.046 37.918 1.351 0.00 0.00 -ATOM 1972 O1 H2O C 658 15.526 47.591 14.231 0.00 0.00 -ATOM 1973 H1 H2O C 658 15.584 46.910 13.501 0.00 0.00 -ATOM 1974 H2 H2O C 658 16.424 48.008 14.370 0.00 0.00 -ATOM 1975 O1 H2O C 659 51.473 29.495 41.478 0.00 0.00 -ATOM 1976 H1 H2O C 659 51.004 29.475 42.361 0.00 0.00 -ATOM 1977 H2 H2O C 659 51.305 28.638 40.992 0.00 0.00 -ATOM 1978 O1 H2O C 660 9.559 14.819 32.533 0.00 0.00 -ATOM 1979 H1 H2O C 660 8.987 14.180 32.017 0.00 0.00 -ATOM 1980 H2 H2O C 660 10.107 15.363 31.897 0.00 0.00 -ATOM 1981 O1 H2O C 661 47.537 16.611 38.067 0.00 0.00 -ATOM 1982 H1 H2O C 661 48.395 16.619 38.581 0.00 0.00 -ATOM 1983 H2 H2O C 661 47.515 17.391 37.442 0.00 0.00 -ATOM 1984 O1 H2O C 662 50.616 49.397 40.828 0.00 0.00 -ATOM 1985 H1 H2O C 662 51.493 48.984 41.074 0.00 0.00 -ATOM 1986 H2 H2O C 662 49.920 48.682 40.752 0.00 0.00 -ATOM 1987 O1 H2O C 663 19.929 41.440 29.796 0.00 0.00 -ATOM 1988 H1 H2O C 663 20.085 40.478 30.021 0.00 0.00 -ATOM 1989 H2 H2O C 663 19.202 41.509 29.113 0.00 0.00 -ATOM 1990 O1 H2O C 664 35.739 30.340 45.962 0.00 0.00 -ATOM 1991 H1 H2O C 664 36.038 29.386 45.964 0.00 0.00 -ATOM 1992 H2 H2O C 664 35.119 30.493 45.192 0.00 0.00 -ATOM 1993 O1 H2O C 665 31.115 40.084 30.547 0.00 0.00 -ATOM 1994 H1 H2O C 665 30.818 40.066 29.592 0.00 0.00 -ATOM 1995 H2 H2O C 665 31.427 41.005 30.782 0.00 0.00 -ATOM 1996 O1 H2O C 666 6.395 54.216 13.667 0.00 0.00 -ATOM 1997 H1 H2O C 666 5.500 54.091 14.094 0.00 0.00 -ATOM 1998 H2 H2O C 666 6.331 54.008 12.691 0.00 0.00 -ATOM 1999 O1 H2O C 667 1.709 11.136 18.206 0.00 0.00 -ATOM 2000 H1 H2O C 667 1.076 10.361 18.204 0.00 0.00 -ATOM 2001 H2 H2O C 667 1.792 11.495 19.135 0.00 0.00 -ATOM 2002 O1 H2O C 668 47.583 55.932 41.246 0.00 0.00 -ATOM 2003 H1 H2O C 668 47.101 56.686 41.692 0.00 0.00 -ATOM 2004 H2 H2O C 668 46.925 55.363 40.751 0.00 0.00 -ATOM 2005 O1 H2O C 669 19.532 54.973 45.791 0.00 0.00 -ATOM 2006 H1 H2O C 669 18.787 55.595 46.032 0.00 0.00 -ATOM 2007 H2 H2O C 669 19.316 54.513 44.930 0.00 0.00 -ATOM 2008 O1 H2O C 670 50.731 44.028 2.484 0.00 0.00 -ATOM 2009 H1 H2O C 670 50.159 43.208 2.499 0.00 0.00 -ATOM 2010 H2 H2O C 670 51.095 44.197 3.399 0.00 0.00 -ATOM 2011 O1 H2O C 671 38.237 28.756 15.282 0.00 0.00 -ATOM 2012 H1 H2O C 671 38.414 27.807 15.021 0.00 0.00 -ATOM 2013 H2 H2O C 671 37.667 28.774 16.103 0.00 0.00 -ATOM 2014 O1 H2O C 672 41.566 10.044 32.765 0.00 0.00 -ATOM 2015 H1 H2O C 672 40.807 10.322 33.352 0.00 0.00 -ATOM 2016 H2 H2O C 672 41.239 9.933 31.826 0.00 0.00 -ATOM 2017 O1 H2O C 673 0.992 58.086 28.830 0.00 0.00 -ATOM 2018 H1 H2O C 673 1.182 57.182 28.448 0.00 0.00 -ATOM 2019 H2 H2O C 673 1.547 58.771 28.359 0.00 0.00 -ATOM 2020 O1 H2O C 674 33.588 54.837 16.222 0.00 0.00 -ATOM 2021 H1 H2O C 674 34.279 54.351 15.688 0.00 0.00 -ATOM 2022 H2 H2O C 674 32.796 54.242 16.363 0.00 0.00 -ATOM 2023 O1 H2O C 675 57.557 29.337 48.670 0.00 0.00 -ATOM 2024 H1 H2O C 675 57.482 30.036 49.382 0.00 0.00 -ATOM 2025 H2 H2O C 675 58.216 28.641 48.955 0.00 0.00 -ATOM 2026 O1 H2O C 676 14.884 35.411 55.901 0.00 0.00 -ATOM 2027 H1 H2O C 676 15.763 35.413 55.425 0.00 0.00 -ATOM 2028 H2 H2O C 676 14.142 35.431 55.231 0.00 0.00 -ATOM 2029 O1 H2O C 677 24.704 5.889 5.653 0.00 0.00 -ATOM 2030 H1 H2O C 677 25.494 5.754 6.252 0.00 0.00 -ATOM 2031 H2 H2O C 677 23.888 6.050 6.208 0.00 0.00 -ATOM 2032 O1 H2O C 678 29.593 40.142 27.723 0.00 0.00 -ATOM 2033 H1 H2O C 678 28.713 40.088 28.193 0.00 0.00 -ATOM 2034 H2 H2O C 678 29.856 39.232 27.402 0.00 0.00 -ATOM 2035 O1 H2O C 679 49.814 12.211 54.441 0.00 0.00 -ATOM 2036 H1 H2O C 679 50.097 13.164 54.334 0.00 0.00 -ATOM 2037 H2 H2O C 679 50.611 11.614 54.351 0.00 0.00 -ATOM 2038 O1 H2O C 680 14.011 19.124 17.063 0.00 0.00 -ATOM 2039 H1 H2O C 680 13.151 19.261 16.571 0.00 0.00 -ATOM 2040 H2 H2O C 680 14.213 18.146 17.116 0.00 0.00 -ATOM 2041 O1 H2O C 681 32.964 29.440 15.770 0.00 0.00 -ATOM 2042 H1 H2O C 681 32.053 29.031 15.712 0.00 0.00 -ATOM 2043 H2 H2O C 681 33.549 28.869 16.346 0.00 0.00 -ATOM 2044 O1 H2O C 682 13.217 42.091 55.068 0.00 0.00 -ATOM 2045 H1 H2O C 682 13.745 41.602 55.762 0.00 0.00 -ATOM 2046 H2 H2O C 682 13.824 42.381 54.329 0.00 0.00 -ATOM 2047 O1 H2O C 683 35.963 2.233 29.246 0.00 0.00 -ATOM 2048 H1 H2O C 683 36.358 1.692 29.988 0.00 0.00 -ATOM 2049 H2 H2O C 683 36.470 2.061 28.401 0.00 0.00 -ATOM 2050 O1 H2O C 684 10.689 53.847 20.998 0.00 0.00 -ATOM 2051 H1 H2O C 684 11.476 54.289 21.429 0.00 0.00 -ATOM 2052 H2 H2O C 684 9.850 54.141 21.457 0.00 0.00 -ATOM 2053 O1 H2O C 685 18.807 15.225 57.120 0.00 0.00 -ATOM 2054 H1 H2O C 685 18.635 15.603 58.029 0.00 0.00 -ATOM 2055 H2 H2O C 685 18.505 14.272 57.093 0.00 0.00 -ATOM 2056 O1 H2O C 686 39.581 39.429 46.176 0.00 0.00 -ATOM 2057 H1 H2O C 686 40.124 40.047 46.745 0.00 0.00 -ATOM 2058 H2 H2O C 686 38.719 39.222 46.637 0.00 0.00 -ATOM 2059 O1 H2O C 687 58.146 48.783 52.544 0.00 0.00 -ATOM 2060 H1 H2O C 687 58.261 48.042 51.883 0.00 0.00 -ATOM 2061 H2 H2O C 687 58.953 48.834 53.133 0.00 0.00 -ATOM 2062 O1 H2O C 688 58.179 35.481 15.487 0.00 0.00 -ATOM 2063 H1 H2O C 688 58.122 34.563 15.880 0.00 0.00 -ATOM 2064 H2 H2O C 688 57.304 35.719 15.066 0.00 0.00 -ATOM 2065 O1 H2O C 689 39.843 26.278 2.823 0.00 0.00 -ATOM 2066 H1 H2O C 689 39.989 27.267 2.802 0.00 0.00 -ATOM 2067 H2 H2O C 689 38.978 26.059 2.371 0.00 0.00 -ATOM 2068 O1 H2O C 690 18.439 44.019 46.610 0.00 0.00 -ATOM 2069 H1 H2O C 690 19.176 44.605 46.276 0.00 0.00 -ATOM 2070 H2 H2O C 690 17.690 44.014 45.947 0.00 0.00 -ATOM 2071 O1 H2O C 691 13.011 18.938 58.934 0.00 0.00 -ATOM 2072 H1 H2O C 691 13.774 18.620 58.371 0.00 0.00 -ATOM 2073 H2 H2O C 691 12.188 19.007 58.370 0.00 0.00 -ATOM 2074 O1 H2O C 692 5.929 38.757 34.555 0.00 0.00 -ATOM 2075 H1 H2O C 692 6.620 38.176 34.985 0.00 0.00 -ATOM 2076 H2 H2O C 692 5.555 39.389 35.234 0.00 0.00 -ATOM 2077 O1 H2O C 693 59.421 45.435 42.567 0.00 0.00 -ATOM 2078 H1 H2O C 693 60.059 45.985 42.029 0.00 0.00 -ATOM 2079 H2 H2O C 693 58.651 46.004 42.856 0.00 0.00 -ATOM 2080 O1 H2O C 694 23.213 20.995 55.930 0.00 0.00 -ATOM 2081 H1 H2O C 694 22.324 20.552 56.042 0.00 0.00 -ATOM 2082 H2 H2O C 694 23.206 21.881 56.394 0.00 0.00 -ATOM 2083 O1 H2O C 695 27.420 3.667 1.016 0.00 0.00 -ATOM 2084 H1 H2O C 695 27.268 3.208 1.891 0.00 0.00 -ATOM 2085 H2 H2O C 695 27.662 4.624 1.179 0.00 0.00 -ATOM 2086 O1 H2O C 696 36.789 47.561 59.561 0.00 0.00 -ATOM 2087 H1 H2O C 696 36.379 46.682 59.319 0.00 0.00 -ATOM 2088 H2 H2O C 696 37.602 47.716 58.999 0.00 0.00 -ATOM 2089 O1 H2O C 697 3.835 5.827 49.607 0.00 0.00 -ATOM 2090 H1 H2O C 697 4.415 6.468 49.105 0.00 0.00 -ATOM 2091 H2 H2O C 697 3.405 5.192 48.965 0.00 0.00 -ATOM 2092 O1 H2O C 698 4.143 19.842 9.810 0.00 0.00 -ATOM 2093 H1 H2O C 698 4.170 20.655 9.229 0.00 0.00 -ATOM 2094 H2 H2O C 698 4.224 20.115 10.769 0.00 0.00 -ATOM 2095 O1 H2O C 699 57.843 40.177 36.321 0.00 0.00 -ATOM 2096 H1 H2O C 699 57.914 39.653 35.472 0.00 0.00 -ATOM 2097 H2 H2O C 699 56.936 40.595 36.380 0.00 0.00 -ATOM 2098 O1 H2O C 700 40.678 54.432 35.910 0.00 0.00 -ATOM 2099 H1 H2O C 700 41.397 54.978 36.339 0.00 0.00 -ATOM 2100 H2 H2O C 700 40.957 54.183 34.982 0.00 0.00 -ATOM 2101 O1 H2O C 701 41.364 33.248 13.576 0.00 0.00 -ATOM 2102 H1 H2O C 701 41.523 32.727 14.415 0.00 0.00 -ATOM 2103 H2 H2O C 701 41.091 34.181 13.810 0.00 0.00 -ATOM 2104 O1 H2O C 702 37.690 39.381 3.464 0.00 0.00 -ATOM 2105 H1 H2O C 702 37.604 39.784 4.375 0.00 0.00 -ATOM 2106 H2 H2O C 702 37.469 38.407 3.508 0.00 0.00 -ATOM 2107 O1 H2O C 703 41.337 0.449 49.259 0.00 0.00 -ATOM 2108 H1 H2O C 703 41.881 -0.390 49.293 0.00 0.00 -ATOM 2109 H2 H2O C 703 40.383 0.220 49.064 0.00 0.00 -ATOM 2110 O1 H2O C 704 38.898 54.439 56.660 0.00 0.00 -ATOM 2111 H1 H2O C 704 38.383 54.706 55.845 0.00 0.00 -ATOM 2112 H2 H2O C 704 38.270 54.067 57.344 0.00 0.00 -ATOM 2113 O1 H2O C 705 14.609 15.789 56.256 0.00 0.00 -ATOM 2114 H1 H2O C 705 15.292 15.109 56.524 0.00 0.00 -ATOM 2115 H2 H2O C 705 13.751 15.606 56.734 0.00 0.00 -ATOM 2116 O1 H2O C 706 0.262 17.437 7.982 0.00 0.00 -ATOM 2117 H1 H2O C 706 0.581 18.151 8.606 0.00 0.00 -ATOM 2118 H2 H2O C 706 1.015 16.812 7.777 0.00 0.00 -ATOM 2119 O1 H2O C 707 17.901 14.105 27.216 0.00 0.00 -ATOM 2120 H1 H2O C 707 16.948 14.193 27.507 0.00 0.00 -ATOM 2121 H2 H2O C 707 18.488 14.016 28.021 0.00 0.00 -ATOM 2122 O1 H2O C 708 2.258 25.898 48.897 0.00 0.00 -ATOM 2123 H1 H2O C 708 2.843 25.349 49.494 0.00 0.00 -ATOM 2124 H2 H2O C 708 1.349 25.484 48.848 0.00 0.00 -ATOM 2125 O1 H2O C 709 12.295 38.381 3.975 0.00 0.00 -ATOM 2126 H1 H2O C 709 11.576 39.009 4.273 0.00 0.00 -ATOM 2127 H2 H2O C 709 12.759 38.762 3.175 0.00 0.00 -ATOM 2128 O1 H2O C 710 32.023 41.329 28.936 0.00 0.00 -ATOM 2129 H1 H2O C 710 31.426 41.412 28.138 0.00 0.00 -ATOM 2130 H2 H2O C 710 32.816 40.766 28.701 0.00 0.00 -ATOM 2131 O1 H2O C 711 7.204 50.473 13.475 0.00 0.00 -ATOM 2132 H1 H2O C 711 6.349 49.986 13.300 0.00 0.00 -ATOM 2133 H2 H2O C 711 7.865 50.256 12.757 0.00 0.00 -ATOM 2134 O1 H2O C 712 2.224 34.707 12.991 0.00 0.00 -ATOM 2135 H1 H2O C 712 2.033 35.677 13.140 0.00 0.00 -ATOM 2136 H2 H2O C 712 1.979 34.460 12.053 0.00 0.00 -ATOM 2137 O1 H2O C 713 33.227 20.299 45.902 0.00 0.00 -ATOM 2138 H1 H2O C 713 33.264 19.905 44.983 0.00 0.00 -ATOM 2139 H2 H2O C 713 33.017 21.274 45.838 0.00 0.00 -ATOM 2140 O1 H2O C 714 59.123 45.840 32.364 0.00 0.00 -ATOM 2141 H1 H2O C 714 59.288 46.285 33.244 0.00 0.00 -ATOM 2142 H2 H2O C 714 59.809 46.145 31.703 0.00 0.00 -ATOM 2143 O1 H2O C 715 48.445 23.791 27.432 0.00 0.00 -ATOM 2144 H1 H2O C 715 49.157 23.118 27.632 0.00 0.00 -ATOM 2145 H2 H2O C 715 47.751 23.376 26.844 0.00 0.00 -ATOM 2146 O1 H2O C 716 42.288 14.517 31.893 0.00 0.00 -ATOM 2147 H1 H2O C 716 41.801 13.644 31.882 0.00 0.00 -ATOM 2148 H2 H2O C 716 42.614 14.729 30.972 0.00 0.00 -ATOM 2149 O1 H2O C 717 21.252 50.103 53.633 0.00 0.00 -ATOM 2150 H1 H2O C 717 21.565 49.649 54.467 0.00 0.00 -ATOM 2151 H2 H2O C 717 20.654 50.867 53.874 0.00 0.00 -ATOM 2152 O1 H2O C 718 46.421 10.741 38.815 0.00 0.00 -ATOM 2153 H1 H2O C 718 46.721 10.007 39.424 0.00 0.00 -ATOM 2154 H2 H2O C 718 47.152 10.958 38.169 0.00 0.00 -ATOM 2155 O1 H2O C 719 33.706 13.499 58.001 0.00 0.00 -ATOM 2156 H1 H2O C 719 33.633 12.787 57.302 0.00 0.00 -ATOM 2157 H2 H2O C 719 34.454 13.277 58.626 0.00 0.00 -ATOM 2158 O1 H2O C 720 55.932 7.914 51.222 0.00 0.00 -ATOM 2159 H1 H2O C 720 56.743 7.832 50.642 0.00 0.00 -ATOM 2160 H2 H2O C 720 55.836 7.090 51.780 0.00 0.00 -ATOM 2161 O1 H2O C 721 18.448 5.209 38.075 0.00 0.00 -ATOM 2162 H1 H2O C 721 18.455 4.336 37.588 0.00 0.00 -ATOM 2163 H2 H2O C 721 17.699 5.776 37.732 0.00 0.00 -ATOM 2164 O1 H2O C 722 2.546 32.809 56.184 0.00 0.00 -ATOM 2165 H1 H2O C 722 1.567 32.958 56.325 0.00 0.00 -ATOM 2166 H2 H2O C 722 2.683 31.965 55.665 0.00 0.00 -ATOM 2167 O1 H2O C 723 57.784 39.347 41.364 0.00 0.00 -ATOM 2168 H1 H2O C 723 58.411 38.613 41.626 0.00 0.00 -ATOM 2169 H2 H2O C 723 57.842 39.497 40.377 0.00 0.00 -ATOM 2170 O1 H2O C 724 23.985 22.441 4.687 0.00 0.00 -ATOM 2171 H1 H2O C 724 24.919 22.629 4.381 0.00 0.00 -ATOM 2172 H2 H2O C 724 23.908 22.640 5.663 0.00 0.00 -ATOM 2173 O1 H2O C 725 52.431 32.669 15.037 0.00 0.00 -ATOM 2174 H1 H2O C 725 52.340 32.683 16.032 0.00 0.00 -ATOM 2175 H2 H2O C 725 53.398 32.739 14.790 0.00 0.00 -ATOM 2176 O1 H2O C 726 40.698 7.182 34.767 0.00 0.00 -ATOM 2177 H1 H2O C 726 40.801 6.782 35.677 0.00 0.00 -ATOM 2178 H2 H2O C 726 41.333 7.948 34.666 0.00 0.00 -ATOM 2179 O1 H2O C 727 59.695 51.760 10.474 0.00 0.00 -ATOM 2180 H1 H2O C 727 59.910 51.756 9.497 0.00 0.00 -ATOM 2181 H2 H2O C 727 59.875 50.855 10.859 0.00 0.00 -ATOM 2182 O1 H2O C 728 12.076 31.386 49.427 0.00 0.00 -ATOM 2183 H1 H2O C 728 11.720 32.253 49.078 0.00 0.00 -ATOM 2184 H2 H2O C 728 12.521 30.886 48.684 0.00 0.00 -ATOM 2185 O1 H2O C 729 24.773 9.613 31.499 0.00 0.00 -ATOM 2186 H1 H2O C 729 25.747 9.421 31.376 0.00 0.00 -ATOM 2187 H2 H2O C 729 24.310 8.788 31.823 0.00 0.00 -ATOM 2188 O1 H2O C 730 9.107 40.197 31.800 0.00 0.00 -ATOM 2189 H1 H2O C 730 8.884 40.650 30.937 0.00 0.00 -ATOM 2190 H2 H2O C 730 10.043 40.429 32.065 0.00 0.00 -ATOM 2191 O1 H2O C 731 35.021 40.887 42.513 0.00 0.00 -ATOM 2192 H1 H2O C 731 35.432 40.383 41.754 0.00 0.00 -ATOM 2193 H2 H2O C 731 34.242 41.418 42.178 0.00 0.00 -ATOM 2194 O1 H2O C 732 7.482 9.819 43.094 0.00 0.00 -ATOM 2195 H1 H2O C 732 7.982 9.843 42.229 0.00 0.00 -ATOM 2196 H2 H2O C 732 7.457 10.736 43.491 0.00 0.00 -ATOM 2197 O1 H2O C 733 10.158 43.980 13.028 0.00 0.00 -ATOM 2198 H1 H2O C 733 10.366 43.007 12.920 0.00 0.00 -ATOM 2199 H2 H2O C 733 10.176 44.219 13.998 0.00 0.00 -ATOM 2200 O1 H2O C 734 45.801 1.374 19.980 0.00 0.00 -ATOM 2201 H1 H2O C 734 45.910 2.156 19.366 0.00 0.00 -ATOM 2202 H2 H2O C 734 46.269 0.580 19.593 0.00 0.00 -ATOM 2203 O1 H2O C 735 46.982 19.676 32.731 0.00 0.00 -ATOM 2204 H1 H2O C 735 46.274 19.196 32.214 0.00 0.00 -ATOM 2205 H2 H2O C 735 46.580 20.467 33.193 0.00 0.00 -ATOM 2206 O1 H2O C 736 4.958 44.233 48.107 0.00 0.00 -ATOM 2207 H1 H2O C 736 4.389 45.020 47.867 0.00 0.00 -ATOM 2208 H2 H2O C 736 5.923 44.482 48.027 0.00 0.00 -ATOM 2209 O1 H2O C 737 46.745 46.736 12.927 0.00 0.00 -ATOM 2210 H1 H2O C 737 47.578 46.615 12.387 0.00 0.00 -ATOM 2211 H2 H2O C 737 46.489 45.864 13.345 0.00 0.00 -ATOM 2212 O1 H2O C 738 10.539 15.891 48.029 0.00 0.00 -ATOM 2213 H1 H2O C 738 10.156 15.178 48.618 0.00 0.00 -ATOM 2214 H2 H2O C 738 10.163 16.779 48.293 0.00 0.00 -ATOM 2215 O1 H2O C 739 40.614 31.371 37.581 0.00 0.00 -ATOM 2216 H1 H2O C 739 39.758 31.595 38.046 0.00 0.00 -ATOM 2217 H2 H2O C 739 41.269 32.116 37.710 0.00 0.00 -ATOM 2218 O1 H2O C 740 57.117 25.952 35.857 0.00 0.00 -ATOM 2219 H1 H2O C 740 56.976 25.047 35.456 0.00 0.00 -ATOM 2220 H2 H2O C 740 56.231 26.383 36.027 0.00 0.00 -ATOM 2221 O1 H2O C 741 51.208 55.861 28.505 0.00 0.00 -ATOM 2222 H1 H2O C 741 51.246 56.706 29.039 0.00 0.00 -ATOM 2223 H2 H2O C 741 50.484 55.933 27.819 0.00 0.00 -ATOM 2224 O1 H2O C 742 31.531 8.614 46.242 0.00 0.00 -ATOM 2225 H1 H2O C 742 31.721 9.593 46.318 0.00 0.00 -ATOM 2226 H2 H2O C 742 31.254 8.400 45.305 0.00 0.00 -ATOM 2227 O1 H2O C 743 26.359 55.077 50.793 0.00 0.00 -ATOM 2228 H1 H2O C 743 26.718 54.149 50.700 0.00 0.00 -ATOM 2229 H2 H2O C 743 26.849 55.553 51.524 0.00 0.00 -ATOM 2230 O1 H2O C 744 25.365 46.417 24.412 0.00 0.00 -ATOM 2231 H1 H2O C 744 24.719 45.724 24.091 0.00 0.00 -ATOM 2232 H2 H2O C 744 25.118 47.306 24.028 0.00 0.00 -ATOM 2233 O1 H2O C 745 45.171 32.271 33.190 0.00 0.00 -ATOM 2234 H1 H2O C 745 45.842 32.947 32.884 0.00 0.00 -ATOM 2235 H2 H2O C 745 44.612 31.982 32.414 0.00 0.00 -ATOM 2236 O1 H2O C 746 27.704 24.350 18.616 0.00 0.00 -ATOM 2237 H1 H2O C 746 27.442 24.404 17.653 0.00 0.00 -ATOM 2238 H2 H2O C 746 26.913 24.563 19.189 0.00 0.00 -ATOM 2239 O1 H2O C 747 18.729 34.283 42.863 0.00 0.00 -ATOM 2240 H1 H2O C 747 18.733 35.249 43.121 0.00 0.00 -ATOM 2241 H2 H2O C 747 19.671 33.954 42.790 0.00 0.00 -ATOM 2242 O1 H2O C 748 38.683 49.549 3.824 0.00 0.00 -ATOM 2243 H1 H2O C 748 37.739 49.579 3.496 0.00 0.00 -ATOM 2244 H2 H2O C 748 38.985 50.473 4.056 0.00 0.00 -ATOM 2245 O1 H2O C 749 11.860 9.251 51.248 0.00 0.00 -ATOM 2246 H1 H2O C 749 11.722 8.291 51.493 0.00 0.00 -ATOM 2247 H2 H2O C 749 12.697 9.340 50.708 0.00 0.00 -ATOM 2248 O1 H2O C 750 18.702 49.774 5.105 0.00 0.00 -ATOM 2249 H1 H2O C 750 17.854 50.125 4.708 0.00 0.00 -ATOM 2250 H2 H2O C 750 18.779 48.796 4.915 0.00 0.00 -ATOM 2251 O1 H2O C 751 24.787 19.796 28.979 0.00 0.00 -ATOM 2252 H1 H2O C 751 25.061 20.530 28.358 0.00 0.00 -ATOM 2253 H2 H2O C 751 23.958 19.357 28.631 0.00 0.00 -ATOM 2254 O1 H2O C 752 34.168 18.432 24.297 0.00 0.00 -ATOM 2255 H1 H2O C 752 35.129 18.694 24.208 0.00 0.00 -ATOM 2256 H2 H2O C 752 33.829 18.105 23.415 0.00 0.00 -ATOM 2257 O1 H2O C 753 23.507 28.561 25.757 0.00 0.00 -ATOM 2258 H1 H2O C 753 23.636 28.394 24.779 0.00 0.00 -ATOM 2259 H2 H2O C 753 22.568 28.863 25.923 0.00 0.00 -ATOM 2260 O1 H2O C 754 20.655 55.348 46.449 0.00 0.00 -ATOM 2261 H1 H2O C 754 20.316 55.660 47.337 0.00 0.00 -ATOM 2262 H2 H2O C 754 21.608 55.629 46.339 0.00 0.00 -ATOM 2263 O1 H2O C 755 39.657 1.058 50.014 0.00 0.00 -ATOM 2264 H1 H2O C 755 39.843 0.353 49.330 0.00 0.00 -ATOM 2265 H2 H2O C 755 39.912 0.719 50.920 0.00 0.00 -ATOM 2266 O1 H2O C 756 5.786 17.359 29.069 0.00 0.00 -ATOM 2267 H1 H2O C 756 5.841 16.368 28.948 0.00 0.00 -ATOM 2268 H2 H2O C 756 6.678 17.768 28.876 0.00 0.00 -ATOM 2269 O1 H2O C 757 17.819 15.975 39.497 0.00 0.00 -ATOM 2270 H1 H2O C 757 18.353 16.811 39.623 0.00 0.00 -ATOM 2271 H2 H2O C 757 16.905 16.101 39.884 0.00 0.00 -ATOM 2272 O1 H2O C 758 8.960 16.304 16.405 0.00 0.00 -ATOM 2273 H1 H2O C 758 8.989 15.336 16.654 0.00 0.00 -ATOM 2274 H2 H2O C 758 9.890 16.669 16.376 0.00 0.00 -ATOM 2275 O1 H2O C 759 28.316 39.273 0.809 0.00 0.00 -ATOM 2276 H1 H2O C 759 29.143 39.564 0.327 0.00 0.00 -ATOM 2277 H2 H2O C 759 27.899 40.062 1.261 0.00 0.00 -ATOM 2278 O1 H2O C 760 41.206 56.573 11.233 0.00 0.00 -ATOM 2279 H1 H2O C 760 40.591 56.872 10.504 0.00 0.00 -ATOM 2280 H2 H2O C 760 42.129 56.913 11.051 0.00 0.00 -ATOM 2281 O1 H2O C 761 47.883 23.302 21.991 0.00 0.00 -ATOM 2282 H1 H2O C 761 47.962 23.888 21.185 0.00 0.00 -ATOM 2283 H2 H2O C 761 47.473 23.820 22.741 0.00 0.00 -ATOM 2284 O1 H2O C 762 44.378 0.157 58.869 0.00 0.00 -ATOM 2285 H1 H2O C 762 43.810 0.884 59.255 0.00 0.00 -ATOM 2286 H2 H2O C 762 44.548 -0.539 59.566 0.00 0.00 -ATOM 2287 O1 H2O C 763 59.276 19.699 14.512 0.00 0.00 -ATOM 2288 H1 H2O C 763 59.480 19.726 13.533 0.00 0.00 -ATOM 2289 H2 H2O C 763 60.118 19.525 15.023 0.00 0.00 -ATOM 2290 O1 H2O C 764 57.914 34.164 13.738 0.00 0.00 -ATOM 2291 H1 H2O C 764 58.904 34.049 13.822 0.00 0.00 -ATOM 2292 H2 H2O C 764 57.665 35.100 13.987 0.00 0.00 -ATOM 2293 O1 H2O C 765 32.426 22.431 9.546 0.00 0.00 -ATOM 2294 H1 H2O C 765 31.748 22.803 10.180 0.00 0.00 -ATOM 2295 H2 H2O C 765 32.864 21.632 9.957 0.00 0.00 -ATOM 2296 O1 H2O C 766 47.206 53.051 11.614 0.00 0.00 -ATOM 2297 H1 H2O C 766 46.816 52.536 12.377 0.00 0.00 -ATOM 2298 H2 H2O C 766 46.766 52.767 10.762 0.00 0.00 -ATOM 2299 O1 H2O C 767 1.629 32.419 19.331 0.00 0.00 -ATOM 2300 H1 H2O C 767 2.054 32.706 18.472 0.00 0.00 -ATOM 2301 H2 H2O C 767 2.314 31.976 19.910 0.00 0.00 -ATOM 2302 O1 H2O C 768 13.616 30.758 32.947 0.00 0.00 -ATOM 2303 H1 H2O C 768 14.576 30.488 32.883 0.00 0.00 -ATOM 2304 H2 H2O C 768 13.535 31.566 33.530 0.00 0.00 -ATOM 2305 O1 H2O C 769 50.245 54.223 18.135 0.00 0.00 -ATOM 2306 H1 H2O C 769 49.538 54.244 18.841 0.00 0.00 -ATOM 2307 H2 H2O C 769 50.726 55.100 18.119 0.00 0.00 -ATOM 2308 O1 H2O C 770 21.759 4.653 59.305 0.00 0.00 -ATOM 2309 H1 H2O C 770 22.548 5.010 58.806 0.00 0.00 -ATOM 2310 H2 H2O C 770 21.919 3.694 59.539 0.00 0.00 -ATOM 2311 O1 H2O C 771 20.024 56.091 52.495 0.00 0.00 -ATOM 2312 H1 H2O C 771 20.104 57.084 52.574 0.00 0.00 -ATOM 2313 H2 H2O C 771 20.281 55.666 53.364 0.00 0.00 -ATOM 2314 O1 H2O C 772 21.976 56.064 12.520 0.00 0.00 -ATOM 2315 H1 H2O C 772 22.203 55.810 13.460 0.00 0.00 -ATOM 2316 H2 H2O C 772 20.983 56.073 12.408 0.00 0.00 -ATOM 2317 O1 H2O C 773 1.743 50.522 49.533 0.00 0.00 -ATOM 2318 H1 H2O C 773 1.128 50.989 48.897 0.00 0.00 -ATOM 2319 H2 H2O C 773 1.587 50.864 50.459 0.00 0.00 -ATOM 2320 O1 H2O C 774 37.568 56.238 0.355 0.00 0.00 -ATOM 2321 H1 H2O C 774 37.086 56.083 -0.508 0.00 0.00 -ATOM 2322 H2 H2O C 774 36.908 56.481 1.066 0.00 0.00 -ATOM 2323 O1 H2O C 775 49.967 33.082 6.218 0.00 0.00 -ATOM 2324 H1 H2O C 775 49.905 33.511 5.317 0.00 0.00 -ATOM 2325 H2 H2O C 775 49.331 33.531 6.846 0.00 0.00 -ATOM 2326 O1 H2O C 776 6.062 38.101 33.786 0.00 0.00 -ATOM 2327 H1 H2O C 776 6.550 38.243 34.647 0.00 0.00 -ATOM 2328 H2 H2O C 776 6.720 37.916 33.057 0.00 0.00 -ATOM 2329 O1 H2O C 777 17.633 32.645 42.385 0.00 0.00 -ATOM 2330 H1 H2O C 777 16.711 32.291 42.231 0.00 0.00 -ATOM 2331 H2 H2O C 777 17.581 33.612 42.636 0.00 0.00 -ATOM 2332 O1 H2O C 778 22.945 30.622 16.537 0.00 0.00 -ATOM 2333 H1 H2O C 778 23.078 30.819 17.508 0.00 0.00 -ATOM 2334 H2 H2O C 778 22.669 29.667 16.425 0.00 0.00 -ATOM 2335 O1 H2O C 779 3.968 27.313 59.120 0.00 0.00 -ATOM 2336 H1 H2O C 779 4.233 28.179 58.696 0.00 0.00 -ATOM 2337 H2 H2O C 779 2.977 27.200 59.054 0.00 0.00 -ATOM 2338 O1 H2O C 780 49.189 12.526 20.759 0.00 0.00 -ATOM 2339 H1 H2O C 780 49.924 13.034 20.310 0.00 0.00 -ATOM 2340 H2 H2O C 780 48.580 13.166 21.228 0.00 0.00 -ATOM 2341 O1 H2O C 781 4.137 0.957 46.083 0.00 0.00 -ATOM 2342 H1 H2O C 781 3.373 1.554 46.330 0.00 0.00 -ATOM 2343 H2 H2O C 781 4.093 0.118 46.626 0.00 0.00 -ATOM 2344 O1 H2O C 782 1.211 11.774 25.523 0.00 0.00 -ATOM 2345 H1 H2O C 782 1.620 11.749 26.435 0.00 0.00 -ATOM 2346 H2 H2O C 782 1.589 12.544 25.009 0.00 0.00 -ATOM 2347 O1 H2O C 783 48.836 42.935 0.315 0.00 0.00 -ATOM 2348 H1 H2O C 783 49.139 41.985 0.392 0.00 0.00 -ATOM 2349 H2 H2O C 783 48.197 43.143 1.056 0.00 0.00 -ATOM 2350 O1 H2O C 784 53.312 7.667 28.899 0.00 0.00 -ATOM 2351 H1 H2O C 784 52.440 7.806 29.369 0.00 0.00 -ATOM 2352 H2 H2O C 784 53.686 6.773 29.149 0.00 0.00 -ATOM 2353 O1 H2O C 785 56.261 27.875 0.760 0.00 0.00 -ATOM 2354 H1 H2O C 785 56.148 28.867 0.821 0.00 0.00 -ATOM 2355 H2 H2O C 785 56.008 27.458 1.633 0.00 0.00 -ATOM 2356 O1 H2O C 786 26.889 12.099 9.947 0.00 0.00 -ATOM 2357 H1 H2O C 786 26.425 11.542 9.258 0.00 0.00 -ATOM 2358 H2 H2O C 786 27.667 11.591 10.316 0.00 0.00 -ATOM 2359 O1 H2O C 787 8.228 50.649 56.153 0.00 0.00 -ATOM 2360 H1 H2O C 787 8.320 50.907 57.115 0.00 0.00 -ATOM 2361 H2 H2O C 787 8.585 49.724 56.019 0.00 0.00 -ATOM 2362 O1 H2O C 788 56.410 22.793 38.167 0.00 0.00 -ATOM 2363 H1 H2O C 788 56.889 23.621 38.458 0.00 0.00 -ATOM 2364 H2 H2O C 788 55.444 22.862 38.415 0.00 0.00 -ATOM 2365 O1 H2O C 789 35.624 21.823 25.913 0.00 0.00 -ATOM 2366 H1 H2O C 789 34.867 21.663 25.280 0.00 0.00 -ATOM 2367 H2 H2O C 789 35.263 22.135 26.792 0.00 0.00 -ATOM 2368 O1 H2O C 790 40.721 23.901 1.419 0.00 0.00 -ATOM 2369 H1 H2O C 790 39.999 23.528 2.003 0.00 0.00 -ATOM 2370 H2 H2O C 790 41.535 23.324 1.486 0.00 0.00 -ATOM 2371 O1 H2O C 791 38.892 12.108 36.185 0.00 0.00 -ATOM 2372 H1 H2O C 791 38.458 11.473 35.546 0.00 0.00 -ATOM 2373 H2 H2O C 791 38.488 13.016 36.079 0.00 0.00 -ATOM 2374 O1 H2O C 792 46.186 14.402 16.658 0.00 0.00 -ATOM 2375 H1 H2O C 792 46.547 14.314 15.730 0.00 0.00 -ATOM 2376 H2 H2O C 792 46.481 15.274 17.049 0.00 0.00 -ATOM 2377 O1 H2O C 793 48.902 14.247 50.912 0.00 0.00 -ATOM 2378 H1 H2O C 793 48.551 13.317 50.810 0.00 0.00 -ATOM 2379 H2 H2O C 793 48.333 14.878 50.385 0.00 0.00 -ATOM 2380 O1 H2O C 794 22.419 20.045 22.691 0.00 0.00 -ATOM 2381 H1 H2O C 794 23.328 20.454 22.769 0.00 0.00 -ATOM 2382 H2 H2O C 794 21.814 20.443 23.381 0.00 0.00 -ATOM 2383 O1 H2O C 795 39.981 15.655 3.068 0.00 0.00 -ATOM 2384 H1 H2O C 795 39.032 15.387 3.231 0.00 0.00 -ATOM 2385 H2 H2O C 795 40.041 16.168 2.212 0.00 0.00 -ATOM 2386 O1 H2O C 796 17.815 53.306 18.062 0.00 0.00 -ATOM 2387 H1 H2O C 796 18.092 54.207 17.728 0.00 0.00 -ATOM 2388 H2 H2O C 796 18.243 52.596 17.503 0.00 0.00 -ATOM 2389 O1 H2O C 797 0.742 2.566 32.993 0.00 0.00 -ATOM 2390 H1 H2O C 797 0.904 1.598 33.188 0.00 0.00 -ATOM 2391 H2 H2O C 797 0.181 2.963 33.719 0.00 0.00 -ATOM 2392 O1 H2O C 798 2.930 39.957 54.017 0.00 0.00 -ATOM 2393 H1 H2O C 798 3.888 40.225 53.918 0.00 0.00 -ATOM 2394 H2 H2O C 798 2.350 40.771 53.970 0.00 0.00 -ATOM 2395 O1 H2O C 799 36.253 5.610 29.506 0.00 0.00 -ATOM 2396 H1 H2O C 799 35.603 4.985 29.073 0.00 0.00 -ATOM 2397 H2 H2O C 799 37.119 5.135 29.663 0.00 0.00 -ATOM 2398 O1 H2O C 800 34.045 13.953 27.081 0.00 0.00 -ATOM 2399 H1 H2O C 800 33.264 13.449 27.451 0.00 0.00 -ATOM 2400 H2 H2O C 800 34.461 13.426 26.340 0.00 0.00 -ATOM 2401 O1 H2O C 801 31.832 30.348 3.457 0.00 0.00 -ATOM 2402 H1 H2O C 801 31.568 29.432 3.760 0.00 0.00 -ATOM 2403 H2 H2O C 801 32.769 30.327 3.110 0.00 0.00 -ATOM 2404 O1 H2O C 802 48.957 53.119 2.082 0.00 0.00 -ATOM 2405 H1 H2O C 802 49.857 52.769 2.339 0.00 0.00 -ATOM 2406 H2 H2O C 802 48.364 53.135 2.887 0.00 0.00 -ATOM 2407 O1 H2O C 803 50.699 8.931 28.439 0.00 0.00 -ATOM 2408 H1 H2O C 803 49.983 8.309 28.123 0.00 0.00 -ATOM 2409 H2 H2O C 803 51.575 8.450 28.459 0.00 0.00 -ATOM 2410 O1 H2O C 804 11.559 4.312 56.559 0.00 0.00 -ATOM 2411 H1 H2O C 804 11.516 5.029 55.863 0.00 0.00 -ATOM 2412 H2 H2O C 804 10.847 4.469 57.243 0.00 0.00 -ATOM 2413 O1 H2O C 805 16.655 25.566 28.842 0.00 0.00 -ATOM 2414 H1 H2O C 805 15.761 25.931 29.104 0.00 0.00 -ATOM 2415 H2 H2O C 805 16.545 24.933 28.076 0.00 0.00 -ATOM 2416 O1 H2O C 806 43.367 48.517 42.122 0.00 0.00 -ATOM 2417 H1 H2O C 806 43.048 49.217 41.483 0.00 0.00 -ATOM 2418 H2 H2O C 806 42.594 47.949 42.408 0.00 0.00 -ATOM 2419 O1 H2O C 807 16.782 3.321 19.320 0.00 0.00 -ATOM 2420 H1 H2O C 807 17.478 4.028 19.447 0.00 0.00 -ATOM 2421 H2 H2O C 807 17.170 2.561 18.800 0.00 0.00 -ATOM 2422 O1 H2O C 808 42.010 27.961 46.821 0.00 0.00 -ATOM 2423 H1 H2O C 808 41.197 28.322 47.278 0.00 0.00 -ATOM 2424 H2 H2O C 808 42.464 27.303 47.421 0.00 0.00 -ATOM 2425 O1 H2O C 809 35.281 25.596 35.812 0.00 0.00 -ATOM 2426 H1 H2O C 809 34.569 24.894 35.841 0.00 0.00 -ATOM 2427 H2 H2O C 809 34.915 26.424 35.387 0.00 0.00 -ATOM 2428 O1 H2O C 810 49.085 27.817 44.880 0.00 0.00 -ATOM 2429 H1 H2O C 810 48.349 27.461 45.456 0.00 0.00 -ATOM 2430 H2 H2O C 810 48.693 28.242 44.064 0.00 0.00 -ATOM 2431 O1 H2O C 811 30.987 10.238 52.906 0.00 0.00 -ATOM 2432 H1 H2O C 811 31.932 9.935 52.786 0.00 0.00 -ATOM 2433 H2 H2O C 811 30.415 9.457 53.157 0.00 0.00 -ATOM 2434 O1 H2O C 812 1.157 9.691 45.177 0.00 0.00 -ATOM 2435 H1 H2O C 812 0.970 10.557 45.640 0.00 0.00 -ATOM 2436 H2 H2O C 812 0.316 9.153 45.125 0.00 0.00 -ATOM 2437 O1 H2O C 813 47.882 31.217 37.949 0.00 0.00 -ATOM 2438 H1 H2O C 813 47.941 30.857 37.017 0.00 0.00 -ATOM 2439 H2 H2O C 813 48.429 30.646 38.561 0.00 0.00 -ATOM 2440 O1 H2O C 814 54.029 0.734 12.131 0.00 0.00 -ATOM 2441 H1 H2O C 814 54.300 1.672 12.347 0.00 0.00 -ATOM 2442 H2 H2O C 814 53.585 0.713 11.235 0.00 0.00 -ATOM 2443 O1 H2O C 815 43.598 41.313 39.753 0.00 0.00 -ATOM 2444 H1 H2O C 815 42.753 40.809 39.578 0.00 0.00 -ATOM 2445 H2 H2O C 815 43.693 42.048 39.082 0.00 0.00 -ATOM 2446 O1 H2O C 816 43.955 29.110 39.951 0.00 0.00 -ATOM 2447 H1 H2O C 816 43.556 29.142 40.868 0.00 0.00 -ATOM 2448 H2 H2O C 816 44.902 29.429 39.989 0.00 0.00 -ATOM 2449 O1 H2O C 817 26.525 1.027 18.551 0.00 0.00 -ATOM 2450 H1 H2O C 817 26.523 0.302 19.240 0.00 0.00 -ATOM 2451 H2 H2O C 817 26.896 0.670 17.694 0.00 0.00 -ATOM 2452 O1 H2O C 818 8.067 53.349 34.154 0.00 0.00 -ATOM 2453 H1 H2O C 818 8.321 52.423 34.432 0.00 0.00 -ATOM 2454 H2 H2O C 818 7.158 53.566 34.509 0.00 0.00 -ATOM 2455 O1 H2O C 819 53.264 13.879 31.397 0.00 0.00 -ATOM 2456 H1 H2O C 819 52.505 14.525 31.311 0.00 0.00 -ATOM 2457 H2 H2O C 819 54.115 14.326 31.123 0.00 0.00 -ATOM 2458 O1 H2O C 820 24.646 18.642 9.763 0.00 0.00 -ATOM 2459 H1 H2O C 820 23.841 19.223 9.877 0.00 0.00 -ATOM 2460 H2 H2O C 820 25.123 18.558 10.638 0.00 0.00 -ATOM 2461 O1 H2O C 821 35.967 1.759 50.902 0.00 0.00 -ATOM 2462 H1 H2O C 821 36.634 2.051 50.216 0.00 0.00 -ATOM 2463 H2 H2O C 821 35.315 1.126 50.484 0.00 0.00 -ATOM 2464 O1 H2O C 822 59.137 0.699 40.154 0.00 0.00 -ATOM 2465 H1 H2O C 822 58.692 0.569 39.268 0.00 0.00 -ATOM 2466 H2 H2O C 822 58.483 0.509 40.886 0.00 0.00 -ATOM 2467 O1 H2O C 823 22.246 57.978 6.091 0.00 0.00 -ATOM 2468 H1 H2O C 823 21.828 58.730 6.602 0.00 0.00 -ATOM 2469 H2 H2O C 823 23.186 58.220 5.852 0.00 0.00 -ATOM 2470 O1 H2O C 824 38.423 59.776 32.642 0.00 0.00 -ATOM 2471 H1 H2O C 824 38.072 60.639 33.005 0.00 0.00 -ATOM 2472 H2 H2O C 824 38.677 59.174 33.400 0.00 0.00 -ATOM 2473 O1 H2O C 825 9.321 20.158 17.544 0.00 0.00 -ATOM 2474 H1 H2O C 825 9.540 19.570 16.766 0.00 0.00 -ATOM 2475 H2 H2O C 825 9.259 19.604 18.374 0.00 0.00 -ATOM 2476 O1 H2O C 826 5.504 42.900 22.069 0.00 0.00 -ATOM 2477 H1 H2O C 826 6.103 43.596 21.673 0.00 0.00 -ATOM 2478 H2 H2O C 826 5.146 42.315 21.342 0.00 0.00 -ATOM 2479 O1 H2O C 827 14.163 12.656 49.567 0.00 0.00 -ATOM 2480 H1 H2O C 827 14.970 13.140 49.228 0.00 0.00 -ATOM 2481 H2 H2O C 827 14.066 11.788 49.079 0.00 0.00 -ATOM 2482 O1 H2O C 828 47.999 52.850 45.943 0.00 0.00 -ATOM 2483 H1 H2O C 828 48.744 52.864 45.276 0.00 0.00 -ATOM 2484 H2 H2O C 828 48.222 53.461 46.704 0.00 0.00 -ATOM 2485 O1 H2O C 829 29.762 44.597 14.175 0.00 0.00 -ATOM 2486 H1 H2O C 829 30.332 45.370 13.897 0.00 0.00 -ATOM 2487 H2 H2O C 829 29.951 43.813 13.584 0.00 0.00 -ATOM 2488 O1 H2O C 830 31.929 16.516 41.391 0.00 0.00 -ATOM 2489 H1 H2O C 830 32.703 15.883 41.372 0.00 0.00 -ATOM 2490 H2 H2O C 830 31.928 17.066 40.556 0.00 0.00 -ATOM 2491 O1 H2O C 831 36.389 37.594 1.649 0.00 0.00 -ATOM 2492 H1 H2O C 831 35.973 37.094 0.890 0.00 0.00 -ATOM 2493 H2 H2O C 831 35.757 37.612 2.424 0.00 0.00 -ATOM 2494 O1 H2O C 832 0.448 60.229 25.505 0.00 0.00 -ATOM 2495 H1 H2O C 832 0.623 59.730 24.656 0.00 0.00 -ATOM 2496 H2 H2O C 832 1.168 60.023 26.167 0.00 0.00 -ATOM 2497 O1 H2O C 833 18.521 25.523 52.181 0.00 0.00 -ATOM 2498 H1 H2O C 833 17.684 25.041 51.924 0.00 0.00 -ATOM 2499 H2 H2O C 833 18.622 25.511 53.176 0.00 0.00 -ATOM 2500 O1 H2O C 834 34.339 52.004 34.539 0.00 0.00 -ATOM 2501 H1 H2O C 834 34.832 51.321 34.000 0.00 0.00 -ATOM 2502 H2 H2O C 834 33.458 51.628 34.828 0.00 0.00 -ATOM 2503 O1 H2O C 835 14.235 55.480 31.072 0.00 0.00 -ATOM 2504 H1 H2O C 835 14.457 56.328 30.592 0.00 0.00 -ATOM 2505 H2 H2O C 835 13.279 55.241 30.901 0.00 0.00 -ATOM 2506 O1 H2O C 836 41.718 30.956 22.053 0.00 0.00 -ATOM 2507 H1 H2O C 836 41.105 31.529 21.510 0.00 0.00 -ATOM 2508 H2 H2O C 836 41.699 30.020 21.701 0.00 0.00 -ATOM 2509 O1 H2O C 837 19.970 39.761 45.404 0.00 0.00 -ATOM 2510 H1 H2O C 837 20.262 40.082 44.503 0.00 0.00 -ATOM 2511 H2 H2O C 837 18.982 39.879 45.497 0.00 0.00 -ATOM 2512 O1 H2O C 838 37.360 59.536 53.535 0.00 0.00 -ATOM 2513 H1 H2O C 838 37.186 60.156 54.301 0.00 0.00 -ATOM 2514 H2 H2O C 838 38.272 59.138 53.630 0.00 0.00 -ATOM 2515 O1 H2O C 839 45.074 17.401 50.678 0.00 0.00 -ATOM 2516 H1 H2O C 839 44.583 16.533 50.748 0.00 0.00 -ATOM 2517 H2 H2O C 839 45.891 17.278 50.115 0.00 0.00 -ATOM 2518 O1 H2O C 840 52.489 33.135 40.700 0.00 0.00 -ATOM 2519 H1 H2O C 840 51.616 32.650 40.660 0.00 0.00 -ATOM 2520 H2 H2O C 840 52.859 33.233 39.776 0.00 0.00 -ATOM 2521 O1 H2O C 841 27.666 39.517 59.218 0.00 0.00 -ATOM 2522 H1 H2O C 841 27.773 39.806 58.267 0.00 0.00 -ATOM 2523 H2 H2O C 841 28.067 38.608 59.338 0.00 0.00 -ATOM 2524 O1 H2O C 842 11.944 1.185 24.771 0.00 0.00 -ATOM 2525 H1 H2O C 842 10.989 0.998 24.538 0.00 0.00 -ATOM 2526 H2 H2O C 842 12.517 0.428 24.458 0.00 0.00 -ATOM 2527 O1 H2O C 843 8.032 22.818 1.063 0.00 0.00 -ATOM 2528 H1 H2O C 843 7.266 22.215 0.842 0.00 0.00 -ATOM 2529 H2 H2O C 843 8.594 22.396 1.774 0.00 0.00 -ATOM 2530 O1 H2O C 844 42.966 48.735 5.565 0.00 0.00 -ATOM 2531 H1 H2O C 844 43.794 49.223 5.840 0.00 0.00 -ATOM 2532 H2 H2O C 844 42.459 48.454 6.381 0.00 0.00 -ATOM 2533 O1 H2O C 845 38.552 27.530 57.181 0.00 0.00 -ATOM 2534 H1 H2O C 845 38.156 27.499 56.263 0.00 0.00 -ATOM 2535 H2 H2O C 845 37.848 27.800 57.838 0.00 0.00 -ATOM 2536 O1 H2O C 846 11.330 29.362 39.514 0.00 0.00 -ATOM 2537 H1 H2O C 846 11.728 29.975 38.831 0.00 0.00 -ATOM 2538 H2 H2O C 846 10.579 29.828 39.983 0.00 0.00 -ATOM 2539 O1 H2O C 847 8.786 20.162 53.296 0.00 0.00 -ATOM 2540 H1 H2O C 847 7.932 19.655 53.420 0.00 0.00 -ATOM 2541 H2 H2O C 847 8.624 21.134 53.466 0.00 0.00 -ATOM 2542 O1 H2O C 848 0.203 54.398 53.194 0.00 0.00 -ATOM 2543 H1 H2O C 848 0.685 54.199 54.047 0.00 0.00 -ATOM 2544 H2 H2O C 848 0.058 55.384 53.116 0.00 0.00 -ATOM 2545 O1 H2O C 849 18.472 21.896 40.191 0.00 0.00 -ATOM 2546 H1 H2O C 849 17.627 21.985 39.664 0.00 0.00 -ATOM 2547 H2 H2O C 849 18.296 22.134 41.146 0.00 0.00 -ATOM 2548 O1 H2O C 850 29.635 6.972 40.868 0.00 0.00 -ATOM 2549 H1 H2O C 850 29.263 7.781 40.414 0.00 0.00 -ATOM 2550 H2 H2O C 850 28.913 6.521 41.392 0.00 0.00 -ATOM 2551 O1 H2O C 851 2.848 32.852 41.575 0.00 0.00 -ATOM 2552 H1 H2O C 851 3.241 33.298 42.380 0.00 0.00 -ATOM 2553 H2 H2O C 851 3.303 33.189 40.751 0.00 0.00 -ATOM 2554 O1 H2O C 852 13.279 48.505 9.720 0.00 0.00 -ATOM 2555 H1 H2O C 852 13.770 48.379 10.582 0.00 0.00 -ATOM 2556 H2 H2O C 852 13.424 49.436 9.386 0.00 0.00 -ATOM 2557 O1 H2O C 853 5.854 40.205 24.687 0.00 0.00 -ATOM 2558 H1 H2O C 853 6.124 40.911 24.032 0.00 0.00 -ATOM 2559 H2 H2O C 853 6.571 40.098 25.376 0.00 0.00 -ATOM 2560 O1 H2O C 854 25.204 23.701 34.707 0.00 0.00 -ATOM 2561 H1 H2O C 854 26.191 23.621 34.846 0.00 0.00 -ATOM 2562 H2 H2O C 854 25.011 23.786 33.729 0.00 0.00 -ATOM 2563 O1 H2O C 855 43.167 36.824 21.746 0.00 0.00 -ATOM 2564 H1 H2O C 855 43.943 37.016 21.146 0.00 0.00 -ATOM 2565 H2 H2O C 855 42.880 35.874 21.627 0.00 0.00 -ATOM 2566 O1 H2O C 856 48.533 34.660 21.321 0.00 0.00 -ATOM 2567 H1 H2O C 856 47.561 34.769 21.111 0.00 0.00 -ATOM 2568 H2 H2O C 856 48.854 35.455 21.836 0.00 0.00 -ATOM 2569 O1 H2O C 857 5.380 54.774 48.874 0.00 0.00 -ATOM 2570 H1 H2O C 857 4.531 54.375 48.528 0.00 0.00 -ATOM 2571 H2 H2O C 857 6.056 54.050 49.012 0.00 0.00 -ATOM 2572 O1 H2O C 858 35.475 46.682 34.926 0.00 0.00 -ATOM 2573 H1 H2O C 858 35.964 45.928 34.488 0.00 0.00 -ATOM 2574 H2 H2O C 858 36.124 47.399 35.181 0.00 0.00 -ATOM 2575 O1 H2O C 859 27.474 56.546 19.784 0.00 0.00 -ATOM 2576 H1 H2O C 859 27.375 56.882 18.847 0.00 0.00 -ATOM 2577 H2 H2O C 859 28.033 57.187 20.310 0.00 0.00 -ATOM 2578 O1 H2O C 860 56.247 5.889 24.143 0.00 0.00 -ATOM 2579 H1 H2O C 860 55.925 5.815 23.199 0.00 0.00 -ATOM 2580 H2 H2O C 860 56.547 6.826 24.320 0.00 0.00 -ATOM 2581 O1 H2O C 861 36.306 5.194 30.078 0.00 0.00 -ATOM 2582 H1 H2O C 861 36.442 4.570 30.847 0.00 0.00 -ATOM 2583 H2 H2O C 861 36.639 4.766 29.238 0.00 0.00 -ATOM 2584 O1 H2O C 862 37.080 17.679 0.405 0.00 0.00 -ATOM 2585 H1 H2O C 862 37.628 17.199 -0.280 0.00 0.00 -ATOM 2586 H2 H2O C 862 37.283 17.309 1.312 0.00 0.00 -ATOM 2587 O1 H2O C 863 5.042 41.829 25.364 0.00 0.00 -ATOM 2588 H1 H2O C 863 5.938 41.413 25.210 0.00 0.00 -ATOM 2589 H2 H2O C 863 4.326 41.164 25.155 0.00 0.00 -ATOM 2590 O1 H2O C 864 56.572 54.009 15.022 0.00 0.00 -ATOM 2591 H1 H2O C 864 56.207 54.813 14.551 0.00 0.00 -ATOM 2592 H2 H2O C 864 57.412 54.257 15.503 0.00 0.00 -ATOM 2593 O1 H2O C 865 10.847 17.362 36.524 0.00 0.00 -ATOM 2594 H1 H2O C 865 10.140 17.754 37.112 0.00 0.00 -ATOM 2595 H2 H2O C 865 11.749 17.620 36.869 0.00 0.00 -ATOM 2596 O1 H2O C 866 10.818 20.038 33.761 0.00 0.00 -ATOM 2597 H1 H2O C 866 10.766 19.093 34.084 0.00 0.00 -ATOM 2598 H2 H2O C 866 11.742 20.391 33.912 0.00 0.00 -ATOM 2599 O1 H2O C 867 27.730 32.991 22.408 0.00 0.00 -ATOM 2600 H1 H2O C 867 28.225 33.843 22.580 0.00 0.00 -ATOM 2601 H2 H2O C 867 28.161 32.246 22.917 0.00 0.00 -ATOM 2602 O1 H2O C 868 10.708 28.920 39.683 0.00 0.00 -ATOM 2603 H1 H2O C 868 11.123 28.309 40.356 0.00 0.00 -ATOM 2604 H2 H2O C 868 11.386 29.588 39.375 0.00 0.00 -ATOM 2605 O1 H2O C 869 13.295 45.721 38.463 0.00 0.00 -ATOM 2606 H1 H2O C 869 12.628 46.308 38.004 0.00 0.00 -ATOM 2607 H2 H2O C 869 12.859 45.264 39.238 0.00 0.00 -ATOM 2608 O1 H2O C 870 50.508 53.585 56.533 0.00 0.00 -ATOM 2609 H1 H2O C 870 51.152 54.268 56.187 0.00 0.00 -ATOM 2610 H2 H2O C 870 50.053 53.137 55.763 0.00 0.00 -ATOM 2611 O1 H2O C 871 45.174 42.125 36.445 0.00 0.00 -ATOM 2612 H1 H2O C 871 44.697 42.477 37.251 0.00 0.00 -ATOM 2613 H2 H2O C 871 46.158 42.257 36.556 0.00 0.00 -ATOM 2614 O1 H2O C 872 0.891 46.231 54.251 0.00 0.00 -ATOM 2615 H1 H2O C 872 1.826 46.428 54.548 0.00 0.00 -ATOM 2616 H2 H2O C 872 0.513 45.493 54.809 0.00 0.00 -ATOM 2617 O1 H2O C 873 50.850 47.004 39.413 0.00 0.00 -ATOM 2618 H1 H2O C 873 51.087 46.839 40.370 0.00 0.00 -ATOM 2619 H2 H2O C 873 51.223 47.886 39.124 0.00 0.00 -ATOM 2620 O1 H2O C 874 22.914 44.018 23.224 0.00 0.00 -ATOM 2621 H1 H2O C 874 23.344 44.894 23.003 0.00 0.00 -ATOM 2622 H2 H2O C 874 22.867 43.453 22.401 0.00 0.00 -ATOM 2623 O1 H2O C 875 17.653 27.378 48.291 0.00 0.00 -ATOM 2624 H1 H2O C 875 17.993 27.800 47.451 0.00 0.00 -ATOM 2625 H2 H2O C 875 17.757 28.019 49.052 0.00 0.00 -ATOM 2626 O1 H2O C 876 30.635 56.236 55.728 0.00 0.00 -ATOM 2627 H1 H2O C 876 29.682 56.098 55.457 0.00 0.00 -ATOM 2628 H2 H2O C 876 30.666 56.696 56.615 0.00 0.00 -ATOM 2629 O1 H2O C 877 3.371 34.847 6.059 0.00 0.00 -ATOM 2630 H1 H2O C 877 4.088 34.442 5.491 0.00 0.00 -ATOM 2631 H2 H2O C 877 2.485 34.464 5.800 0.00 0.00 -ATOM 2632 O1 H2O C 878 37.777 9.133 46.131 0.00 0.00 -ATOM 2633 H1 H2O C 878 37.693 10.119 45.987 0.00 0.00 -ATOM 2634 H2 H2O C 878 38.066 8.957 47.072 0.00 0.00 -ATOM 2635 O1 H2O C 879 8.179 2.094 36.354 0.00 0.00 -ATOM 2636 H1 H2O C 879 9.140 2.200 36.610 0.00 0.00 -ATOM 2637 H2 H2O C 879 7.642 1.864 37.166 0.00 0.00 -ATOM 2638 O1 H2O C 880 45.089 1.581 17.732 0.00 0.00 -ATOM 2639 H1 H2O C 880 45.839 1.058 18.136 0.00 0.00 -ATOM 2640 H2 H2O C 880 45.148 1.532 16.735 0.00 0.00 -ATOM 2641 O1 H2O C 881 22.180 27.683 25.656 0.00 0.00 -ATOM 2642 H1 H2O C 881 22.236 27.390 26.611 0.00 0.00 -ATOM 2643 H2 H2O C 881 22.629 28.571 25.553 0.00 0.00 -ATOM 2644 O1 H2O C 882 40.579 32.602 35.846 0.00 0.00 -ATOM 2645 H1 H2O C 882 41.374 33.114 35.520 0.00 0.00 -ATOM 2646 H2 H2O C 882 40.867 31.947 36.544 0.00 0.00 -ATOM 2647 O1 H2O C 883 15.889 44.069 47.377 0.00 0.00 -ATOM 2648 H1 H2O C 883 16.850 43.811 47.476 0.00 0.00 -ATOM 2649 H2 H2O C 883 15.619 43.987 46.417 0.00 0.00 -ATOM 2650 O1 H2O C 884 35.049 22.775 21.414 0.00 0.00 -ATOM 2651 H1 H2O C 884 34.055 22.728 21.521 0.00 0.00 -ATOM 2652 H2 H2O C 884 35.468 23.011 22.291 0.00 0.00 -ATOM 2653 O1 H2O C 885 43.782 15.381 10.453 0.00 0.00 -ATOM 2654 H1 H2O C 885 43.010 15.946 10.159 0.00 0.00 -ATOM 2655 H2 H2O C 885 44.514 15.438 9.773 0.00 0.00 -ATOM 2656 O1 H2O C 886 6.675 58.756 50.185 0.00 0.00 -ATOM 2657 H1 H2O C 886 7.132 57.903 50.437 0.00 0.00 -ATOM 2658 H2 H2O C 886 6.440 59.264 51.014 0.00 0.00 -ATOM 2659 O1 H2O C 887 14.150 38.533 10.317 0.00 0.00 -ATOM 2660 H1 H2O C 887 15.130 38.398 10.470 0.00 0.00 -ATOM 2661 H2 H2O C 887 13.634 37.887 10.880 0.00 0.00 -ATOM 2662 O1 H2O C 888 4.416 50.026 46.128 0.00 0.00 -ATOM 2663 H1 H2O C 888 3.964 49.207 45.773 0.00 0.00 -ATOM 2664 H2 H2O C 888 4.510 50.699 45.395 0.00 0.00 -ATOM 2665 O1 H2O C 889 40.531 20.692 11.701 0.00 0.00 -ATOM 2666 H1 H2O C 889 40.393 21.322 10.937 0.00 0.00 -ATOM 2667 H2 H2O C 889 39.650 20.312 11.983 0.00 0.00 -ATOM 2668 O1 H2O C 890 5.214 44.534 53.842 0.00 0.00 -ATOM 2669 H1 H2O C 890 5.699 45.167 53.239 0.00 0.00 -ATOM 2670 H2 H2O C 890 5.844 43.823 54.155 0.00 0.00 -ATOM 2671 O1 H2O C 891 25.631 48.012 53.777 0.00 0.00 -ATOM 2672 H1 H2O C 891 25.971 48.715 54.400 0.00 0.00 -ATOM 2673 H2 H2O C 891 24.821 47.578 54.173 0.00 0.00 -ATOM 2674 O1 H2O C 892 18.354 48.506 29.628 0.00 0.00 -ATOM 2675 H1 H2O C 892 18.732 48.069 30.444 0.00 0.00 -ATOM 2676 H2 H2O C 892 18.952 48.328 28.846 0.00 0.00 -ATOM 2677 O1 H2O C 893 16.680 38.699 16.917 0.00 0.00 -ATOM 2678 H1 H2O C 893 16.692 38.361 15.976 0.00 0.00 -ATOM 2679 H2 H2O C 893 17.480 38.352 17.406 0.00 0.00 -ATOM 2680 O1 H2O C 894 51.497 25.638 10.021 0.00 0.00 -ATOM 2681 H1 H2O C 894 51.829 24.887 9.450 0.00 0.00 -ATOM 2682 H2 H2O C 894 51.459 25.341 10.975 0.00 0.00 -ATOM 2683 O1 H2O C 895 33.702 55.896 5.403 0.00 0.00 -ATOM 2684 H1 H2O C 895 34.391 55.937 4.679 0.00 0.00 -ATOM 2685 H2 H2O C 895 32.829 55.599 5.016 0.00 0.00 -ATOM 2686 O1 H2O C 896 19.629 39.535 8.495 0.00 0.00 -ATOM 2687 H1 H2O C 896 19.225 40.075 9.234 0.00 0.00 -ATOM 2688 H2 H2O C 896 19.696 40.097 7.671 0.00 0.00 -ATOM 2689 O1 H2O C 897 14.334 25.922 35.416 0.00 0.00 -ATOM 2690 H1 H2O C 897 15.100 25.421 35.013 0.00 0.00 -ATOM 2691 H2 H2O C 897 14.111 26.708 34.840 0.00 0.00 -ATOM 2692 O1 H2O C 898 20.273 8.403 45.586 0.00 0.00 -ATOM 2693 H1 H2O C 898 19.372 8.840 45.583 0.00 0.00 -ATOM 2694 H2 H2O C 898 20.478 8.069 46.507 0.00 0.00 -ATOM 2695 O1 H2O C 899 4.090 0.469 58.622 0.00 0.00 -ATOM 2696 H1 H2O C 899 3.779 0.713 57.703 0.00 0.00 -ATOM 2697 H2 H2O C 899 4.323 1.301 59.126 0.00 0.00 -ATOM 2698 O1 H2O C 900 39.902 43.466 17.998 0.00 0.00 -ATOM 2699 H1 H2O C 900 40.576 44.005 18.504 0.00 0.00 -ATOM 2700 H2 H2O C 900 39.263 43.043 18.641 0.00 0.00 -ATOM 2701 O1 H2O C 901 59.438 48.178 38.898 0.00 0.00 -ATOM 2702 H1 H2O C 901 58.823 48.947 39.074 0.00 0.00 -ATOM 2703 H2 H2O C 901 59.012 47.331 39.214 0.00 0.00 -ATOM 2704 O1 H2O C 902 55.465 22.943 55.735 0.00 0.00 -ATOM 2705 H1 H2O C 902 55.441 21.948 55.644 0.00 0.00 -ATOM 2706 H2 H2O C 902 56.380 23.277 55.504 0.00 0.00 -ATOM 2707 O1 H2O C 903 54.991 42.802 57.694 0.00 0.00 -ATOM 2708 H1 H2O C 903 54.945 43.541 57.023 0.00 0.00 -ATOM 2709 H2 H2O C 903 55.290 41.961 57.243 0.00 0.00 -ATOM 2710 O1 H2O C 904 45.470 12.882 4.332 0.00 0.00 -ATOM 2711 H1 H2O C 904 45.775 13.062 3.397 0.00 0.00 -ATOM 2712 H2 H2O C 904 44.923 12.045 4.349 0.00 0.00 -ATOM 2713 O1 H2O C 905 13.217 33.985 8.194 0.00 0.00 -ATOM 2714 H1 H2O C 905 13.139 34.141 7.209 0.00 0.00 -ATOM 2715 H2 H2O C 905 12.551 33.294 8.476 0.00 0.00 -ATOM 2716 O1 H2O C 906 14.727 7.441 17.874 0.00 0.00 -ATOM 2717 H1 H2O C 906 15.681 7.199 18.052 0.00 0.00 -ATOM 2718 H2 H2O C 906 14.281 7.693 18.733 0.00 0.00 -ATOM 2719 O1 H2O C 907 55.020 48.198 14.078 0.00 0.00 -ATOM 2720 H1 H2O C 907 55.417 47.635 13.354 0.00 0.00 -ATOM 2721 H2 H2O C 907 54.038 48.019 14.139 0.00 0.00 -ATOM 2722 O1 H2O C 908 41.320 44.462 26.993 0.00 0.00 -ATOM 2723 H1 H2O C 908 41.994 44.127 26.334 0.00 0.00 -ATOM 2724 H2 H2O C 908 41.600 44.204 27.917 0.00 0.00 -ATOM 2725 O1 H2O C 909 7.720 19.954 42.889 0.00 0.00 -ATOM 2726 H1 H2O C 909 7.566 19.500 43.766 0.00 0.00 -ATOM 2727 H2 H2O C 909 7.868 20.931 43.041 0.00 0.00 -ATOM 2728 O1 H2O C 910 57.192 45.448 58.459 0.00 0.00 -ATOM 2729 H1 H2O C 910 56.876 45.351 59.403 0.00 0.00 -ATOM 2730 H2 H2O C 910 57.624 44.596 58.163 0.00 0.00 -ATOM 2731 O1 H2O C 911 19.536 51.426 25.380 0.00 0.00 -ATOM 2732 H1 H2O C 911 18.795 50.780 25.195 0.00 0.00 -ATOM 2733 H2 H2O C 911 19.918 51.244 26.286 0.00 0.00 -ATOM 2734 O1 H2O C 912 45.342 29.160 4.090 0.00 0.00 -ATOM 2735 H1 H2O C 912 45.944 29.828 4.527 0.00 0.00 -ATOM 2736 H2 H2O C 912 45.567 29.095 3.118 0.00 0.00 -ATOM 2737 O1 H2O C 913 17.327 4.761 29.574 0.00 0.00 -ATOM 2738 H1 H2O C 913 17.490 5.746 29.639 0.00 0.00 -ATOM 2739 H2 H2O C 913 18.144 4.313 29.209 0.00 0.00 -ATOM 2740 O1 H2O C 914 8.189 59.139 34.726 0.00 0.00 -ATOM 2741 H1 H2O C 914 8.211 58.331 34.137 0.00 0.00 -ATOM 2742 H2 H2O C 914 9.058 59.628 34.654 0.00 0.00 -ATOM 2743 O1 H2O C 915 18.876 26.135 6.968 0.00 0.00 -ATOM 2744 H1 H2O C 915 19.123 25.167 6.915 0.00 0.00 -ATOM 2745 H2 H2O C 915 19.707 26.691 6.948 0.00 0.00 -ATOM 2746 O1 H2O C 916 30.234 21.020 54.714 0.00 0.00 -ATOM 2747 H1 H2O C 916 29.818 20.612 55.526 0.00 0.00 -ATOM 2748 H2 H2O C 916 30.635 21.905 54.953 0.00 0.00 -ATOM 2749 O1 H2O C 917 25.124 58.816 37.568 0.00 0.00 -ATOM 2750 H1 H2O C 917 25.093 59.014 38.547 0.00 0.00 -ATOM 2751 H2 H2O C 917 25.058 59.670 37.052 0.00 0.00 -ATOM 2752 O1 H2O C 918 4.391 53.705 18.766 0.00 0.00 -ATOM 2753 H1 H2O C 918 5.042 52.962 18.610 0.00 0.00 -ATOM 2754 H2 H2O C 918 4.413 53.970 19.730 0.00 0.00 -ATOM 2755 O1 H2O C 919 37.729 14.372 23.041 0.00 0.00 -ATOM 2756 H1 H2O C 919 38.179 14.206 23.919 0.00 0.00 -ATOM 2757 H2 H2O C 919 37.184 15.208 23.099 0.00 0.00 -ATOM 2758 O1 H2O C 920 49.302 14.424 14.050 0.00 0.00 -ATOM 2759 H1 H2O C 920 48.978 13.907 13.257 0.00 0.00 -ATOM 2760 H2 H2O C 920 49.749 13.802 14.693 0.00 0.00 -ATOM 2761 O1 H2O C 921 51.455 43.076 48.752 0.00 0.00 -ATOM 2762 H1 H2O C 921 51.855 42.162 48.809 0.00 0.00 -ATOM 2763 H2 H2O C 921 51.606 43.561 49.613 0.00 0.00 -ATOM 2764 O1 H2O C 922 22.722 22.306 58.546 0.00 0.00 -ATOM 2765 H1 H2O C 922 22.673 21.382 58.168 0.00 0.00 -ATOM 2766 H2 H2O C 922 22.930 22.956 57.815 0.00 0.00 -ATOM 2767 O1 H2O C 923 41.154 3.465 10.478 0.00 0.00 -ATOM 2768 H1 H2O C 923 41.051 3.040 9.579 0.00 0.00 -ATOM 2769 H2 H2O C 923 40.927 4.437 10.414 0.00 0.00 -ATOM 2770 O1 H2O C 924 44.976 18.119 9.162 0.00 0.00 -ATOM 2771 H1 H2O C 924 44.646 17.777 10.042 0.00 0.00 -ATOM 2772 H2 H2O C 924 44.467 18.942 8.912 0.00 0.00 -ATOM 2773 O1 H2O C 925 4.440 51.111 7.670 0.00 0.00 -ATOM 2774 H1 H2O C 925 3.666 51.710 7.466 0.00 0.00 -ATOM 2775 H2 H2O C 925 4.247 50.590 8.502 0.00 0.00 -ATOM 2776 O1 H2O C 926 51.821 39.733 50.317 0.00 0.00 -ATOM 2777 H1 H2O C 926 50.880 39.505 50.569 0.00 0.00 -ATOM 2778 H2 H2O C 926 52.190 39.016 49.724 0.00 0.00 -ATOM 2779 O1 H2O C 927 3.106 44.674 32.288 0.00 0.00 -ATOM 2780 H1 H2O C 927 2.695 45.145 31.507 0.00 0.00 -ATOM 2781 H2 H2O C 927 3.187 45.309 33.056 0.00 0.00 -ATOM 2782 O1 H2O C 928 24.210 45.694 24.598 0.00 0.00 -ATOM 2783 H1 H2O C 928 24.348 45.303 25.508 0.00 0.00 -ATOM 2784 H2 H2O C 928 24.197 44.960 23.919 0.00 0.00 -ATOM 2785 O1 H2O C 929 45.830 12.756 7.699 0.00 0.00 -ATOM 2786 H1 H2O C 929 46.473 12.649 8.458 0.00 0.00 -ATOM 2787 H2 H2O C 929 45.419 11.870 7.483 0.00 0.00 -ATOM 2788 O1 H2O C 930 11.874 26.895 25.251 0.00 0.00 -ATOM 2789 H1 H2O C 930 11.996 27.816 24.881 0.00 0.00 -ATOM 2790 H2 H2O C 930 11.016 26.852 25.763 0.00 0.00 -ATOM 2791 O1 H2O C 931 13.141 2.788 37.269 0.00 0.00 -ATOM 2792 H1 H2O C 931 13.087 3.063 38.228 0.00 0.00 -ATOM 2793 H2 H2O C 931 13.031 1.796 37.199 0.00 0.00 -ATOM 2794 O1 H2O C 932 8.330 22.580 28.022 0.00 0.00 -ATOM 2795 H1 H2O C 932 8.339 22.012 28.845 0.00 0.00 -ATOM 2796 H2 H2O C 932 7.392 22.665 27.686 0.00 0.00 -ATOM 2797 O1 H2O C 933 40.612 21.922 56.771 0.00 0.00 -ATOM 2798 H1 H2O C 933 40.736 21.612 55.828 0.00 0.00 -ATOM 2799 H2 H2O C 933 41.505 22.114 57.178 0.00 0.00 -ATOM 2800 O1 H2O C 934 20.714 55.722 46.077 0.00 0.00 -ATOM 2801 H1 H2O C 934 21.418 55.426 46.723 0.00 0.00 -ATOM 2802 H2 H2O C 934 21.147 56.146 45.282 0.00 0.00 -ATOM 2803 O1 H2O C 935 57.334 19.520 23.564 0.00 0.00 -ATOM 2804 H1 H2O C 935 57.102 20.476 23.386 0.00 0.00 -ATOM 2805 H2 H2O C 935 56.775 19.177 24.318 0.00 0.00 -ATOM 2806 O1 H2O C 936 21.820 54.673 32.002 0.00 0.00 -ATOM 2807 H1 H2O C 936 22.627 54.638 31.412 0.00 0.00 -ATOM 2808 H2 H2O C 936 21.156 53.989 31.701 0.00 0.00 -ATOM 2809 O1 H2O C 937 8.935 14.265 47.937 0.00 0.00 -ATOM 2810 H1 H2O C 937 8.676 13.444 47.428 0.00 0.00 -ATOM 2811 H2 H2O C 937 8.652 14.168 48.891 0.00 0.00 -ATOM 2812 O1 H2O C 938 11.020 50.435 26.035 0.00 0.00 -ATOM 2813 H1 H2O C 938 10.793 51.271 25.534 0.00 0.00 -ATOM 2814 H2 H2O C 938 10.180 50.016 26.381 0.00 0.00 -ATOM 2815 O1 H2O C 939 7.711 21.092 12.942 0.00 0.00 -ATOM 2816 H1 H2O C 939 8.302 21.765 12.497 0.00 0.00 -ATOM 2817 H2 H2O C 939 7.985 20.990 13.899 0.00 0.00 -ATOM 2818 O1 H2O C 940 24.256 17.276 22.534 0.00 0.00 -ATOM 2819 H1 H2O C 940 24.061 17.941 23.255 0.00 0.00 -ATOM 2820 H2 H2O C 940 23.416 17.073 22.032 0.00 0.00 -ATOM 2821 O1 H2O C 941 30.920 11.599 38.080 0.00 0.00 -ATOM 2822 H1 H2O C 941 30.820 12.514 38.471 0.00 0.00 -ATOM 2823 H2 H2O C 941 30.121 11.046 38.318 0.00 0.00 -ATOM 2824 O1 H2O C 942 3.437 32.087 11.796 0.00 0.00 -ATOM 2825 H1 H2O C 942 2.695 31.750 11.217 0.00 0.00 -ATOM 2826 H2 H2O C 942 4.313 31.937 11.336 0.00 0.00 -ATOM 2827 O1 H2O C 943 12.094 50.741 18.599 0.00 0.00 -ATOM 2828 H1 H2O C 943 11.521 50.712 17.780 0.00 0.00 -ATOM 2829 H2 H2O C 943 11.555 50.460 19.393 0.00 0.00 -ATOM 2830 O1 H2O C 944 28.247 5.723 42.959 0.00 0.00 -ATOM 2831 H1 H2O C 944 29.177 5.981 42.698 0.00 0.00 -ATOM 2832 H2 H2O C 944 28.219 4.745 43.168 0.00 0.00 -ATOM 2833 O1 H2O C 945 59.410 1.124 33.940 0.00 0.00 -ATOM 2834 H1 H2O C 945 59.781 0.649 34.738 0.00 0.00 -ATOM 2835 H2 H2O C 945 59.096 2.035 34.209 0.00 0.00 -ATOM 2836 O1 H2O C 946 17.296 15.361 25.255 0.00 0.00 -ATOM 2837 H1 H2O C 946 17.869 15.326 24.436 0.00 0.00 -ATOM 2838 H2 H2O C 946 17.387 16.258 25.688 0.00 0.00 -ATOM 2839 O1 H2O C 947 21.209 34.814 35.050 0.00 0.00 -ATOM 2840 H1 H2O C 947 21.884 35.438 35.446 0.00 0.00 -ATOM 2841 H2 H2O C 947 20.883 34.185 35.755 0.00 0.00 -ATOM 2842 O1 H2O C 948 21.252 58.579 23.478 0.00 0.00 -ATOM 2843 H1 H2O C 948 20.671 59.361 23.252 0.00 0.00 -ATOM 2844 H2 H2O C 948 21.164 57.881 22.767 0.00 0.00 -ATOM 2845 O1 H2O C 949 52.552 57.338 42.212 0.00 0.00 -ATOM 2846 H1 H2O C 949 51.591 57.598 42.308 0.00 0.00 -ATOM 2847 H2 H2O C 949 53.104 58.156 42.050 0.00 0.00 -ATOM 2848 O1 H2O C 950 33.405 17.908 12.204 0.00 0.00 -ATOM 2849 H1 H2O C 950 32.921 17.581 13.016 0.00 0.00 -ATOM 2850 H2 H2O C 950 33.074 17.417 11.398 0.00 0.00 -ATOM 2851 O1 H2O C 951 47.262 39.449 59.736 0.00 0.00 -ATOM 2852 H1 H2O C 951 47.243 40.349 60.171 0.00 0.00 -ATOM 2853 H2 H2O C 951 47.175 39.557 58.745 0.00 0.00 -ATOM 2854 O1 H2O C 952 48.599 4.100 56.959 0.00 0.00 -ATOM 2855 H1 H2O C 952 48.264 3.809 56.063 0.00 0.00 -ATOM 2856 H2 H2O C 952 47.948 3.821 57.665 0.00 0.00 -ATOM 2857 O1 H2O C 953 5.569 0.184 32.675 0.00 0.00 -ATOM 2858 H1 H2O C 953 5.820 -0.753 32.917 0.00 0.00 -ATOM 2859 H2 H2O C 953 6.237 0.819 33.064 0.00 0.00 -ATOM 2860 O1 H2O C 954 39.943 20.809 36.024 0.00 0.00 -ATOM 2861 H1 H2O C 954 39.956 20.226 36.837 0.00 0.00 -ATOM 2862 H2 H2O C 954 40.134 21.754 36.289 0.00 0.00 -ATOM 2863 O1 H2O C 955 55.293 35.799 26.946 0.00 0.00 -ATOM 2864 H1 H2O C 955 55.548 34.842 27.087 0.00 0.00 -ATOM 2865 H2 H2O C 955 54.822 35.893 26.069 0.00 0.00 -ATOM 2866 O1 H2O C 956 9.627 55.365 55.587 0.00 0.00 -ATOM 2867 H1 H2O C 956 8.758 55.722 55.244 0.00 0.00 -ATOM 2868 H2 H2O C 956 9.553 55.197 56.570 0.00 0.00 -ATOM 2869 O1 H2O C 957 37.883 34.634 32.512 0.00 0.00 -ATOM 2870 H1 H2O C 957 38.061 33.652 32.582 0.00 0.00 -ATOM 2871 H2 H2O C 957 38.029 35.064 33.403 0.00 0.00 -ATOM 2872 O1 H2O C 958 0.882 20.793 23.879 0.00 0.00 -ATOM 2873 H1 H2O C 958 1.090 20.321 23.022 0.00 0.00 -ATOM 2874 H2 H2O C 958 0.170 20.292 24.371 0.00 0.00 -ATOM 2875 O1 H2O C 959 20.305 31.107 30.084 0.00 0.00 -ATOM 2876 H1 H2O C 959 20.460 31.760 29.343 0.00 0.00 -ATOM 2877 H2 H2O C 959 19.450 31.329 30.552 0.00 0.00 -ATOM 2878 O1 H2O C 960 10.328 55.674 18.083 0.00 0.00 -ATOM 2879 H1 H2O C 960 9.845 56.549 18.047 0.00 0.00 -ATOM 2880 H2 H2O C 960 11.305 55.826 17.933 0.00 0.00 -ATOM 2881 O1 H2O C 961 16.938 32.334 6.036 0.00 0.00 -ATOM 2882 H1 H2O C 961 17.607 31.596 6.121 0.00 0.00 -ATOM 2883 H2 H2O C 961 16.181 32.033 5.455 0.00 0.00 -ATOM 2884 O1 H2O C 962 39.256 38.617 5.860 0.00 0.00 -ATOM 2885 H1 H2O C 962 38.674 39.245 5.344 0.00 0.00 -ATOM 2886 H2 H2O C 962 38.687 38.032 6.437 0.00 0.00 -ATOM 2887 O1 H2O C 963 31.334 43.721 34.091 0.00 0.00 -ATOM 2888 H1 H2O C 963 31.945 43.467 33.341 0.00 0.00 -ATOM 2889 H2 H2O C 963 30.408 43.853 33.737 0.00 0.00 -ATOM 2890 O1 H2O C 964 6.156 13.773 54.529 0.00 0.00 -ATOM 2891 H1 H2O C 964 6.480 12.905 54.153 0.00 0.00 -ATOM 2892 H2 H2O C 964 5.717 14.307 53.805 0.00 0.00 -ATOM 2893 O1 H2O C 965 47.954 30.750 23.077 0.00 0.00 -ATOM 2894 H1 H2O C 965 48.588 31.203 22.450 0.00 0.00 -ATOM 2895 H2 H2O C 965 48.316 29.851 23.326 0.00 0.00 -ATOM 2896 O1 H2O C 966 38.145 34.615 36.610 0.00 0.00 -ATOM 2897 H1 H2O C 966 38.042 34.405 37.583 0.00 0.00 -ATOM 2898 H2 H2O C 966 37.415 35.235 36.324 0.00 0.00 -ATOM 2899 O1 H2O C 967 23.215 31.176 13.311 0.00 0.00 -ATOM 2900 H1 H2O C 967 24.086 30.815 13.643 0.00 0.00 -ATOM 2901 H2 H2O C 967 22.465 30.769 13.832 0.00 0.00 -ATOM 2902 O1 H2O C 968 52.510 16.761 49.256 0.00 0.00 -ATOM 2903 H1 H2O C 968 53.134 16.629 48.486 0.00 0.00 -ATOM 2904 H2 H2O C 968 51.926 15.956 49.354 0.00 0.00 -ATOM 2905 O1 H2O C 969 18.683 5.414 39.333 0.00 0.00 -ATOM 2906 H1 H2O C 969 19.655 5.649 39.365 0.00 0.00 -ATOM 2907 H2 H2O C 969 18.325 5.351 40.265 0.00 0.00 -ATOM 2908 O1 H2O C 970 15.697 46.072 56.230 0.00 0.00 -ATOM 2909 H1 H2O C 970 14.861 46.400 56.670 0.00 0.00 -ATOM 2910 H2 H2O C 970 16.487 46.542 56.624 0.00 0.00 -ATOM 2911 O1 H2O C 971 2.386 52.886 37.601 0.00 0.00 -ATOM 2912 H1 H2O C 971 1.591 53.473 37.443 0.00 0.00 -ATOM 2913 H2 H2O C 971 3.167 53.449 37.871 0.00 0.00 -ATOM 2914 O1 H2O C 972 41.940 17.407 53.795 0.00 0.00 -ATOM 2915 H1 H2O C 972 41.696 17.957 54.594 0.00 0.00 -ATOM 2916 H2 H2O C 972 41.938 17.985 52.979 0.00 0.00 -ATOM 2917 O1 H2O C 973 24.662 9.689 56.518 0.00 0.00 -ATOM 2918 H1 H2O C 973 24.058 10.224 57.109 0.00 0.00 -ATOM 2919 H2 H2O C 973 24.873 8.817 56.959 0.00 0.00 -ATOM 2920 O1 H2O C 974 29.369 30.223 24.015 0.00 0.00 -ATOM 2921 H1 H2O C 974 30.202 29.682 23.899 0.00 0.00 -ATOM 2922 H2 H2O C 974 29.352 30.959 23.338 0.00 0.00 -ATOM 2923 O1 H2O C 975 22.397 21.886 29.692 0.00 0.00 -ATOM 2924 H1 H2O C 975 22.980 21.595 28.934 0.00 0.00 -ATOM 2925 H2 H2O C 975 22.898 21.794 30.553 0.00 0.00 -ATOM 2926 O1 H2O C 976 24.108 11.517 39.719 0.00 0.00 -ATOM 2927 H1 H2O C 976 24.313 10.618 40.106 0.00 0.00 -ATOM 2928 H2 H2O C 976 23.768 12.121 40.441 0.00 0.00 -ATOM 2929 O1 H2O C 977 58.170 28.056 31.847 0.00 0.00 -ATOM 2930 H1 H2O C 977 58.710 27.372 31.356 0.00 0.00 -ATOM 2931 H2 H2O C 977 57.714 27.624 32.625 0.00 0.00 -ATOM 2932 O1 H2O C 978 31.193 12.307 33.373 0.00 0.00 -ATOM 2933 H1 H2O C 978 30.655 11.625 33.870 0.00 0.00 -ATOM 2934 H2 H2O C 978 32.062 12.454 33.846 0.00 0.00 -ATOM 2935 O1 H2O C 979 43.716 47.310 38.038 0.00 0.00 -ATOM 2936 H1 H2O C 979 43.964 46.341 38.003 0.00 0.00 -ATOM 2937 H2 H2O C 979 43.169 47.543 37.234 0.00 0.00 -ATOM 2938 O1 H2O C 980 2.685 27.861 32.880 0.00 0.00 -ATOM 2939 H1 H2O C 980 2.868 27.107 33.511 0.00 0.00 -ATOM 2940 H2 H2O C 980 2.016 27.568 32.197 0.00 0.00 -ATOM 2941 O1 H2O C 981 30.273 51.599 42.914 0.00 0.00 -ATOM 2942 H1 H2O C 981 29.341 51.557 43.273 0.00 0.00 -ATOM 2943 H2 H2O C 981 30.790 50.806 43.234 0.00 0.00 -ATOM 2944 O1 H2O C 982 6.991 51.277 43.067 0.00 0.00 -ATOM 2945 H1 H2O C 982 6.324 50.577 42.813 0.00 0.00 -ATOM 2946 H2 H2O C 982 7.197 51.203 44.043 0.00 0.00 -ATOM 2947 O1 H2O C 983 23.601 38.178 18.204 0.00 0.00 -ATOM 2948 H1 H2O C 983 24.365 37.574 17.976 0.00 0.00 -ATOM 2949 H2 H2O C 983 23.833 39.118 17.953 0.00 0.00 -ATOM 2950 O1 H2O C 984 43.763 51.099 36.053 0.00 0.00 -ATOM 2951 H1 H2O C 984 42.834 50.805 36.277 0.00 0.00 -ATOM 2952 H2 H2O C 984 44.369 50.905 36.824 0.00 0.00 -ATOM 2953 O1 H2O C 985 11.843 17.350 6.221 0.00 0.00 -ATOM 2954 H1 H2O C 985 12.104 17.216 5.265 0.00 0.00 -ATOM 2955 H2 H2O C 985 12.590 17.050 6.815 0.00 0.00 -ATOM 2956 O1 H2O C 986 16.973 20.912 20.900 0.00 0.00 -ATOM 2957 H1 H2O C 986 17.018 21.352 20.003 0.00 0.00 -ATOM 2958 H2 H2O C 986 17.023 19.919 20.787 0.00 0.00 -ATOM 2959 O1 H2O C 987 22.174 43.628 57.266 0.00 0.00 -ATOM 2960 H1 H2O C 987 21.632 43.328 58.052 0.00 0.00 -ATOM 2961 H2 H2O C 987 22.670 44.463 57.503 0.00 0.00 -ATOM 2962 O1 H2O C 988 10.334 21.855 12.598 0.00 0.00 -ATOM 2963 H1 H2O C 988 10.192 22.841 12.685 0.00 0.00 -ATOM 2964 H2 H2O C 988 11.092 21.681 11.969 0.00 0.00 -ATOM 2965 O1 H2O C 989 46.554 56.533 38.853 0.00 0.00 -ATOM 2966 H1 H2O C 989 46.884 57.185 39.535 0.00 0.00 -ATOM 2967 H2 H2O C 989 47.333 56.079 38.421 0.00 0.00 -ATOM 2968 O1 H2O C 990 15.784 20.377 40.150 0.00 0.00 -ATOM 2969 H1 H2O C 990 15.678 21.370 40.104 0.00 0.00 -ATOM 2970 H2 H2O C 990 15.930 20.014 39.229 0.00 0.00 -ATOM 2971 O1 H2O C 991 5.514 4.931 25.815 0.00 0.00 -ATOM 2972 H1 H2O C 991 4.688 4.907 25.252 0.00 0.00 -ATOM 2973 H2 H2O C 991 6.298 5.181 25.246 0.00 0.00 -ATOM 2974 O1 H2O C 992 40.482 23.187 5.036 0.00 0.00 -ATOM 2975 H1 H2O C 992 40.264 23.064 6.004 0.00 0.00 -ATOM 2976 H2 H2O C 992 41.405 23.563 4.947 0.00 0.00 -ATOM 2977 O1 H2O C 993 23.209 24.424 25.823 0.00 0.00 -ATOM 2978 H1 H2O C 993 23.730 23.745 25.306 0.00 0.00 -ATOM 2979 H2 H2O C 993 22.497 23.965 26.354 0.00 0.00 -ATOM 2980 O1 H2O C 994 19.996 10.795 42.986 0.00 0.00 -ATOM 2981 H1 H2O C 994 19.553 10.966 43.867 0.00 0.00 -ATOM 2982 H2 H2O C 994 20.469 11.623 42.685 0.00 0.00 -ATOM 2983 O1 H2O C 995 3.211 18.497 0.770 0.00 0.00 -ATOM 2984 H1 H2O C 995 3.888 17.887 1.181 0.00 0.00 -ATOM 2985 H2 H2O C 995 3.320 19.418 1.146 0.00 0.00 -ATOM 2986 O1 H2O C 996 54.647 13.463 12.067 0.00 0.00 -ATOM 2987 H1 H2O C 996 54.782 12.746 12.750 0.00 0.00 -ATOM 2988 H2 H2O C 996 53.745 13.877 12.191 0.00 0.00 -ATOM 2989 O1 H2O C 997 28.484 39.219 18.308 0.00 0.00 -ATOM 2990 H1 H2O C 997 29.001 38.523 18.807 0.00 0.00 -ATOM 2991 H2 H2O C 997 27.716 38.788 17.835 0.00 0.00 -ATOM 2992 O1 H2O C 998 17.148 8.143 27.833 0.00 0.00 -ATOM 2993 H1 H2O C 998 16.299 8.386 28.304 0.00 0.00 -ATOM 2994 H2 H2O C 998 16.964 8.020 26.858 0.00 0.00 -ATOM 2995 O1 H2O C 999 20.184 24.905 43.915 0.00 0.00 -ATOM 2996 H1 H2O C 999 20.209 25.745 44.456 0.00 0.00 -ATOM 2997 H2 H2O C 999 20.957 24.322 44.166 0.00 0.00 -ATOM 2998 O1 H2O C1000 7.585 35.128 11.437 0.00 0.00 -ATOM 2999 H1 H2O C1000 8.030 36.008 11.272 0.00 0.00 -ATOM 3000 H2 H2O C1000 8.080 34.407 10.951 0.00 0.00 -ATOM 3001 O1 H2O C1001 14.051 1.928 50.426 0.00 0.00 -ATOM 3002 H1 H2O C1001 13.399 1.455 49.834 0.00 0.00 -ATOM 3003 H2 H2O C1001 14.866 1.360 50.544 0.00 0.00 -ATOM 3004 O1 H2O C1002 39.688 23.325 21.546 0.00 0.00 -ATOM 3005 H1 H2O C1002 40.161 23.960 22.156 0.00 0.00 -ATOM 3006 H2 H2O C1002 39.656 22.419 21.969 0.00 0.00 -ATOM 3007 O1 H2O C1003 32.279 14.089 5.423 0.00 0.00 -ATOM 3008 H1 H2O C1003 33.130 13.732 5.807 0.00 0.00 -ATOM 3009 H2 H2O C1003 31.504 13.581 5.800 0.00 0.00 -ATOM 3010 O1 H2O C1004 23.225 7.605 34.807 0.00 0.00 -ATOM 3011 H1 H2O C1004 22.355 8.097 34.810 0.00 0.00 -ATOM 3012 H2 H2O C1004 23.059 6.634 34.632 0.00 0.00 -ATOM 3013 O1 H2O C1005 55.639 15.339 7.260 0.00 0.00 -ATOM 3014 H1 H2O C1005 54.686 15.039 7.317 0.00 0.00 -ATOM 3015 H2 H2O C1005 56.190 14.622 6.834 0.00 0.00 -ATOM 3016 O1 H2O C1006 51.479 29.906 29.140 0.00 0.00 -ATOM 3017 H1 H2O C1006 50.672 29.402 29.449 0.00 0.00 -ATOM 3018 H2 H2O C1006 52.081 29.291 28.632 0.00 0.00 -ATOM 3019 O1 H2O C1007 39.283 25.504 31.346 0.00 0.00 -ATOM 3020 H1 H2O C1007 38.700 26.198 30.924 0.00 0.00 -ATOM 3021 H2 H2O C1007 39.483 24.787 30.678 0.00 0.00 -ATOM 3022 O1 H2O C1008 2.138 36.180 3.968 0.00 0.00 -ATOM 3023 H1 H2O C1008 1.453 36.446 3.290 0.00 0.00 -ATOM 3024 H2 H2O C1008 1.845 36.486 4.874 0.00 0.00 -ATOM 3025 O1 H2O C1009 56.320 40.959 24.396 0.00 0.00 -ATOM 3026 H1 H2O C1009 57.213 40.510 24.431 0.00 0.00 -ATOM 3027 H2 H2O C1009 56.008 41.154 25.326 0.00 0.00 -ATOM 3028 O1 H2O C1010 44.431 33.667 43.773 0.00 0.00 -ATOM 3029 H1 H2O C1010 44.705 32.896 44.348 0.00 0.00 -ATOM 3030 H2 H2O C1010 43.520 33.978 44.043 0.00 0.00 -ATOM 3031 O1 H2O C1011 31.432 37.731 42.616 0.00 0.00 -ATOM 3032 H1 H2O C1011 30.973 36.843 42.600 0.00 0.00 -ATOM 3033 H2 H2O C1011 31.964 37.847 41.777 0.00 0.00 -ATOM 3034 O1 H2O C1012 17.919 41.729 44.005 0.00 0.00 -ATOM 3035 H1 H2O C1012 18.185 41.069 44.708 0.00 0.00 -ATOM 3036 H2 H2O C1012 17.014 41.493 43.651 0.00 0.00 -ATOM 3037 O1 H2O C1013 27.098 45.384 54.530 0.00 0.00 -ATOM 3038 H1 H2O C1013 26.359 45.476 53.862 0.00 0.00 -ATOM 3039 H2 H2O C1013 26.729 45.497 55.452 0.00 0.00 -ATOM 3040 O1 H2O C1014 7.576 44.661 9.327 0.00 0.00 -ATOM 3041 H1 H2O C1014 7.252 44.205 8.498 0.00 0.00 -ATOM 3042 H2 H2O C1014 6.959 45.415 9.556 0.00 0.00 -ATOM 3043 O1 H2O C1015 15.952 52.525 40.759 0.00 0.00 -ATOM 3044 H1 H2O C1015 15.616 52.474 41.700 0.00 0.00 -ATOM 3045 H2 H2O C1015 16.648 53.241 40.692 0.00 0.00 -ATOM 3046 O1 H2O C1016 16.937 12.331 59.422 0.00 0.00 -ATOM 3047 H1 H2O C1016 17.830 11.990 59.125 0.00 0.00 -ATOM 3048 H2 H2O C1016 16.544 11.698 60.089 0.00 0.00 -ATOM 3049 O1 H2O C1017 36.192 47.414 2.485 0.00 0.00 -ATOM 3050 H1 H2O C1017 35.719 47.164 1.641 0.00 0.00 -ATOM 3051 H2 H2O C1017 35.740 48.204 2.899 0.00 0.00 -ATOM 3052 O1 H2O C1018 19.306 9.323 40.137 0.00 0.00 -ATOM 3053 H1 H2O C1018 18.995 9.494 39.202 0.00 0.00 -ATOM 3054 H2 H2O C1018 18.923 10.016 40.747 0.00 0.00 -ATOM 3055 O1 H2O C1019 21.720 33.301 41.812 0.00 0.00 -ATOM 3056 H1 H2O C1019 21.334 33.501 40.911 0.00 0.00 -ATOM 3057 H2 H2O C1019 21.358 33.950 42.481 0.00 0.00 -ATOM 3058 O1 H2O C1020 3.456 5.683 23.108 0.00 0.00 -ATOM 3059 H1 H2O C1020 4.023 6.232 22.494 0.00 0.00 -ATOM 3060 H2 H2O C1020 2.781 6.272 23.552 0.00 0.00 -ATOM 3061 O1 H2O C1021 31.859 33.162 48.091 0.00 0.00 -ATOM 3062 H1 H2O C1021 31.770 33.026 49.078 0.00 0.00 -ATOM 3063 H2 H2O C1021 31.282 33.928 47.807 0.00 0.00 -ATOM 3064 O1 H2O C1022 35.099 39.066 56.936 0.00 0.00 -ATOM 3065 H1 H2O C1022 34.681 38.859 57.821 0.00 0.00 -ATOM 3066 H2 H2O C1022 35.068 40.052 56.775 0.00 0.00 -ATOM 3067 O1 H2O C1023 39.598 30.719 0.942 0.00 0.00 -ATOM 3068 H1 H2O C1023 39.410 29.777 0.665 0.00 0.00 -ATOM 3069 H2 H2O C1023 40.586 30.854 1.018 0.00 0.00 -ATOM 3070 O1 H2O C1024 31.431 11.627 48.754 0.00 0.00 -ATOM 3071 H1 H2O C1024 31.063 11.304 49.626 0.00 0.00 -ATOM 3072 H2 H2O C1024 32.337 11.230 48.607 0.00 0.00 -ATOM 3073 O1 H2O C1025 34.816 57.114 1.654 0.00 0.00 -ATOM 3074 H1 H2O C1025 34.585 56.325 1.084 0.00 0.00 -ATOM 3075 H2 H2O C1025 35.708 56.966 2.082 0.00 0.00 -ATOM 3076 O1 H2O C1026 29.153 14.637 44.970 0.00 0.00 -ATOM 3077 H1 H2O C1026 28.756 13.734 45.130 0.00 0.00 -ATOM 3078 H2 H2O C1026 28.685 15.313 45.540 0.00 0.00 -ATOM 3079 O1 H2O C1027 31.244 22.864 26.746 0.00 0.00 -ATOM 3080 H1 H2O C1027 31.416 23.848 26.802 0.00 0.00 -ATOM 3081 H2 H2O C1027 30.336 22.664 27.114 0.00 0.00 -ATOM 3082 O1 H2O C1028 44.332 42.650 29.284 0.00 0.00 -ATOM 3083 H1 H2O C1028 43.699 42.300 29.974 0.00 0.00 -ATOM 3084 H2 H2O C1028 44.577 43.594 29.504 0.00 0.00 -ATOM 3085 O1 H2O C1029 59.116 20.322 45.147 0.00 0.00 -ATOM 3086 H1 H2O C1029 59.062 20.527 46.124 0.00 0.00 -ATOM 3087 H2 H2O C1029 60.001 20.624 44.792 0.00 0.00 -ATOM 3088 O1 H2O C1030 15.014 15.717 16.946 0.00 0.00 -ATOM 3089 H1 H2O C1030 14.056 15.456 16.828 0.00 0.00 -ATOM 3090 H2 H2O C1030 15.412 15.933 16.054 0.00 0.00 -ATOM 3091 O1 H2O C1031 44.742 2.297 20.843 0.00 0.00 -ATOM 3092 H1 H2O C1031 45.644 2.427 20.433 0.00 0.00 -ATOM 3093 H2 H2O C1031 44.454 3.144 21.290 0.00 0.00 -ATOM 3094 O1 H2O C1032 52.041 49.492 25.734 0.00 0.00 -ATOM 3095 H1 H2O C1032 52.870 48.934 25.693 0.00 0.00 -ATOM 3096 H2 H2O C1032 51.293 48.952 26.118 0.00 0.00 -ATOM 3097 O1 H2O C1033 9.196 31.139 13.021 0.00 0.00 -ATOM 3098 H1 H2O C1033 8.479 30.520 12.700 0.00 0.00 -ATOM 3099 H2 H2O C1033 8.791 32.021 13.264 0.00 0.00 -ATOM 3100 O1 H2O C1034 56.401 23.384 18.327 0.00 0.00 -ATOM 3101 H1 H2O C1034 56.279 24.373 18.407 0.00 0.00 -ATOM 3102 H2 H2O C1034 55.800 23.031 17.610 0.00 0.00 -ATOM 3103 O1 H2O C1035 3.385 41.812 39.897 0.00 0.00 -ATOM 3104 H1 H2O C1035 4.026 41.060 40.054 0.00 0.00 -ATOM 3105 H2 H2O C1035 2.816 41.604 39.101 0.00 0.00 -ATOM 3106 O1 H2O C1036 41.749 21.412 59.463 0.00 0.00 -ATOM 3107 H1 H2O C1036 41.033 20.891 59.928 0.00 0.00 -ATOM 3108 H2 H2O C1036 41.700 21.240 58.479 0.00 0.00 -ATOM 3109 O1 H2O C1037 21.842 53.170 35.277 0.00 0.00 -ATOM 3110 H1 H2O C1037 22.442 53.839 35.716 0.00 0.00 -ATOM 3111 H2 H2O C1037 21.168 52.842 35.940 0.00 0.00 -ATOM 3112 O1 H2O C1038 40.357 27.928 56.112 0.00 0.00 -ATOM 3113 H1 H2O C1038 39.863 28.610 55.573 0.00 0.00 -ATOM 3114 H2 H2O C1038 39.799 27.655 56.895 0.00 0.00 -ATOM 3115 O1 H2O C1039 28.803 50.564 52.270 0.00 0.00 -ATOM 3116 H1 H2O C1039 28.441 50.384 51.355 0.00 0.00 -ATOM 3117 H2 H2O C1039 28.665 51.527 52.500 0.00 0.00 -ATOM 3118 O1 H2O C1040 51.287 16.605 14.669 0.00 0.00 -ATOM 3119 H1 H2O C1040 51.092 16.792 13.706 0.00 0.00 -ATOM 3120 H2 H2O C1040 51.607 15.663 14.767 0.00 0.00 -ATOM 3121 O1 H2O C1041 35.274 33.559 0.801 0.00 0.00 -ATOM 3122 H1 H2O C1041 35.554 34.464 1.121 0.00 0.00 -ATOM 3123 H2 H2O C1041 35.507 32.874 1.491 0.00 0.00 -ATOM 3124 O1 H2O C1042 55.643 23.692 59.395 0.00 0.00 -ATOM 3125 H1 H2O C1042 54.824 23.160 59.178 0.00 0.00 -ATOM 3126 H2 H2O C1042 56.411 23.361 58.846 0.00 0.00 -ATOM 3127 O1 H2O C1043 57.801 17.046 23.045 0.00 0.00 -ATOM 3128 H1 H2O C1043 56.980 16.884 23.593 0.00 0.00 -ATOM 3129 H2 H2O C1043 58.595 17.116 23.648 0.00 0.00 -ATOM 3130 O1 H2O C1044 20.522 35.702 27.047 0.00 0.00 -ATOM 3131 H1 H2O C1044 19.743 35.101 26.870 0.00 0.00 -ATOM 3132 H2 H2O C1044 20.227 36.656 26.988 0.00 0.00 -ATOM 3133 O1 H2O C1045 47.825 23.002 5.324 0.00 0.00 -ATOM 3134 H1 H2O C1045 48.561 22.528 4.840 0.00 0.00 -ATOM 3135 H2 H2O C1045 47.828 22.729 6.285 0.00 0.00 -ATOM 3136 O1 H2O C1046 34.858 2.933 2.002 0.00 0.00 -ATOM 3137 H1 H2O C1046 34.938 2.180 2.655 0.00 0.00 -ATOM 3138 H2 H2O C1046 34.090 3.520 2.261 0.00 0.00 -ATOM 3139 O1 H2O C1047 9.856 21.613 14.058 0.00 0.00 -ATOM 3140 H1 H2O C1047 9.888 22.602 14.199 0.00 0.00 -ATOM 3141 H2 H2O C1047 9.828 21.417 13.078 0.00 0.00 -ATOM 3142 O1 H2O C1048 9.769 18.282 19.359 0.00 0.00 -ATOM 3143 H1 H2O C1048 10.732 18.095 19.163 0.00 0.00 -ATOM 3144 H2 H2O C1048 9.193 17.676 18.810 0.00 0.00 -ATOM 3145 O1 H2O C1049 12.282 57.515 49.796 0.00 0.00 -ATOM 3146 H1 H2O C1049 12.705 56.708 49.382 0.00 0.00 -ATOM 3147 H2 H2O C1049 11.515 57.231 50.370 0.00 0.00 -ATOM 3148 O1 H2O C1050 16.386 35.273 18.155 0.00 0.00 -ATOM 3149 H1 H2O C1050 16.155 35.672 17.267 0.00 0.00 -ATOM 3150 H2 H2O C1050 16.335 35.980 18.861 0.00 0.00 -ATOM 3151 O1 H2O C1051 2.177 2.837 58.309 0.00 0.00 -ATOM 3152 H1 H2O C1051 1.852 3.495 57.631 0.00 0.00 -ATOM 3153 H2 H2O C1051 2.972 2.349 57.946 0.00 0.00 -ATOM 3154 O1 H2O C1052 3.712 37.989 41.870 0.00 0.00 -ATOM 3155 H1 H2O C1052 2.861 38.493 42.019 0.00 0.00 -ATOM 3156 H2 H2O C1052 4.321 38.528 41.288 0.00 0.00 -ATOM 3157 O1 H2O C1053 38.330 19.234 23.066 0.00 0.00 -ATOM 3158 H1 H2O C1053 37.922 19.786 22.338 0.00 0.00 -ATOM 3159 H2 H2O C1053 37.723 18.470 23.285 0.00 0.00 -ATOM 3160 O1 H2O C1054 17.548 18.995 15.587 0.00 0.00 -ATOM 3161 H1 H2O C1054 16.585 19.052 15.852 0.00 0.00 -ATOM 3162 H2 H2O C1054 17.618 18.622 14.662 0.00 0.00 -ATOM 3163 O1 H2O C1055 9.691 29.396 34.911 0.00 0.00 -ATOM 3164 H1 H2O C1055 9.162 28.969 34.177 0.00 0.00 -ATOM 3165 H2 H2O C1055 9.498 30.377 34.933 0.00 0.00 -ATOM 3166 O1 H2O C1056 52.439 13.411 -0.214 0.00 0.00 -ATOM 3167 H1 H2O C1056 53.299 13.685 0.217 0.00 0.00 -ATOM 3168 H2 H2O C1056 52.058 12.625 0.273 0.00 0.00 -ATOM 3169 O1 H2O C1057 2.432 2.159 20.850 0.00 0.00 -ATOM 3170 H1 H2O C1057 1.872 1.380 20.566 0.00 0.00 -ATOM 3171 H2 H2O C1057 3.343 1.838 21.108 0.00 0.00 -ATOM 3172 O1 H2O C1058 57.889 26.433 7.410 0.00 0.00 -ATOM 3173 H1 H2O C1058 57.781 26.106 6.472 0.00 0.00 -ATOM 3174 H2 H2O C1058 58.467 25.797 7.921 0.00 0.00 -ATOM 3175 O1 H2O C1059 14.653 54.065 6.224 0.00 0.00 -ATOM 3176 H1 H2O C1059 13.867 53.706 6.727 0.00 0.00 -ATOM 3177 H2 H2O C1059 15.486 53.916 6.756 0.00 0.00 -ATOM 3178 O1 H2O C1060 5.068 28.334 22.178 0.00 0.00 -ATOM 3179 H1 H2O C1060 5.984 28.120 22.517 0.00 0.00 -ATOM 3180 H2 H2O C1060 5.077 29.231 21.737 0.00 0.00 -ATOM 3181 O1 H2O C1061 27.979 9.464 16.837 0.00 0.00 -ATOM 3182 H1 H2O C1061 27.920 8.967 15.971 0.00 0.00 -ATOM 3183 H2 H2O C1061 28.269 8.838 17.561 0.00 0.00 -ATOM 3184 O1 H2O C1062 19.367 10.712 32.418 0.00 0.00 -ATOM 3185 H1 H2O C1062 19.349 10.933 31.443 0.00 0.00 -ATOM 3186 H2 H2O C1062 19.161 11.533 32.950 0.00 0.00 -ATOM 3187 O1 H2O C1063 28.022 34.194 45.918 0.00 0.00 -ATOM 3188 H1 H2O C1063 28.172 34.904 46.606 0.00 0.00 -ATOM 3189 H2 H2O C1063 28.518 33.366 46.180 0.00 0.00 -ATOM 3190 O1 H2O C1064 15.343 47.656 5.563 0.00 0.00 -ATOM 3191 H1 H2O C1064 15.979 47.275 6.233 0.00 0.00 -ATOM 3192 H2 H2O C1064 14.404 47.453 5.841 0.00 0.00 -ATOM 3193 O1 H2O C1065 49.387 39.106 37.760 0.00 0.00 -ATOM 3194 H1 H2O C1065 50.113 38.558 38.177 0.00 0.00 -ATOM 3195 H2 H2O C1065 48.965 39.685 38.457 0.00 0.00 -ATOM 3196 O1 H2O C1066 47.574 43.519 57.757 0.00 0.00 -ATOM 3197 H1 H2O C1066 48.076 43.244 56.937 0.00 0.00 -ATOM 3198 H2 H2O C1066 46.685 43.895 57.493 0.00 0.00 -ATOM 3199 O1 H2O C1067 3.465 43.030 23.995 0.00 0.00 -ATOM 3200 H1 H2O C1067 2.847 43.555 23.410 0.00 0.00 -ATOM 3201 H2 H2O C1067 3.076 42.124 24.163 0.00 0.00 -ATOM 3202 O1 H2O C1068 52.168 40.456 43.327 0.00 0.00 -ATOM 3203 H1 H2O C1068 51.449 39.816 43.054 0.00 0.00 -ATOM 3204 H2 H2O C1068 51.969 40.811 44.240 0.00 0.00 -ATOM 3205 O1 H2O C1069 24.690 7.708 23.302 0.00 0.00 -ATOM 3206 H1 H2O C1069 24.841 7.193 24.146 0.00 0.00 -ATOM 3207 H2 H2O C1069 25.096 8.618 23.389 0.00 0.00 -ATOM 3208 O1 H2O C1070 18.021 7.498 19.681 0.00 0.00 -ATOM 3209 H1 H2O C1070 17.835 8.237 19.034 0.00 0.00 -ATOM 3210 H2 H2O C1070 18.539 6.776 19.223 0.00 0.00 -ATOM 3211 O1 H2O C1071 41.431 54.724 32.493 0.00 0.00 -ATOM 3212 H1 H2O C1071 41.741 55.468 33.086 0.00 0.00 -ATOM 3213 H2 H2O C1071 41.205 55.089 31.590 0.00 0.00 -ATOM 3214 O1 H2O C1072 8.891 38.406 12.705 0.00 0.00 -ATOM 3215 H1 H2O C1072 9.445 38.812 13.433 0.00 0.00 -ATOM 3216 H2 H2O C1072 9.474 38.196 11.920 0.00 0.00 -ATOM 3217 O1 H2O C1073 34.119 14.649 30.844 0.00 0.00 -ATOM 3218 H1 H2O C1073 34.814 13.932 30.883 0.00 0.00 -ATOM 3219 H2 H2O C1073 33.424 14.403 30.168 0.00 0.00 -ATOM 3220 O1 H2O C1074 47.433 1.776 52.987 0.00 0.00 -ATOM 3221 H1 H2O C1074 47.481 2.100 52.042 0.00 0.00 -ATOM 3222 H2 H2O C1074 47.985 2.370 53.571 0.00 0.00 -ATOM 3223 O1 H2O C1075 14.540 13.331 53.761 0.00 0.00 -ATOM 3224 H1 H2O C1075 14.310 12.359 53.705 0.00 0.00 -ATOM 3225 H2 H2O C1075 15.433 13.487 53.338 0.00 0.00 -ATOM 3226 O1 H2O C1076 51.370 34.383 26.796 0.00 0.00 -ATOM 3227 H1 H2O C1076 50.583 34.616 27.368 0.00 0.00 -ATOM 3228 H2 H2O C1076 51.075 33.782 26.053 0.00 0.00 -ATOM 3229 O1 H2O C1077 44.385 57.715 44.440 0.00 0.00 -ATOM 3230 H1 H2O C1077 43.716 57.131 44.901 0.00 0.00 -ATOM 3231 H2 H2O C1077 45.232 57.734 44.972 0.00 0.00 -ATOM 3232 O1 H2O C1078 51.978 14.566 43.753 0.00 0.00 -ATOM 3233 H1 H2O C1078 51.104 14.216 44.092 0.00 0.00 -ATOM 3234 H2 H2O C1078 52.614 13.805 43.627 0.00 0.00 -ATOM 3235 O1 H2O C1079 14.163 18.713 39.250 0.00 0.00 -ATOM 3236 H1 H2O C1079 15.104 18.920 38.984 0.00 0.00 -ATOM 3237 H2 H2O C1079 13.549 18.916 38.488 0.00 0.00 -ATOM 3238 O1 H2O C1080 14.167 12.401 12.649 0.00 0.00 -ATOM 3239 H1 H2O C1080 14.296 11.483 13.024 0.00 0.00 -ATOM 3240 H2 H2O C1080 14.266 12.371 11.654 0.00 0.00 -ATOM 3241 O1 H2O C1081 3.624 2.318 49.695 0.00 0.00 -ATOM 3242 H1 H2O C1081 3.486 2.572 50.653 0.00 0.00 -ATOM 3243 H2 H2O C1081 2.793 2.515 49.175 0.00 0.00 -ATOM 3244 O1 H2O C1082 3.860 18.142 58.815 0.00 0.00 -ATOM 3245 H1 H2O C1082 4.013 17.435 58.124 0.00 0.00 -ATOM 3246 H2 H2O C1082 3.645 19.008 58.363 0.00 0.00 -ATOM 3247 O1 H2O C1083 49.840 18.927 36.198 0.00 0.00 -ATOM 3248 H1 H2O C1083 49.501 18.255 35.540 0.00 0.00 -ATOM 3249 H2 H2O C1083 50.758 19.222 35.930 0.00 0.00 -ATOM 3250 O1 H2O C1084 14.074 29.404 9.897 0.00 0.00 -ATOM 3251 H1 H2O C1084 14.817 28.810 9.588 0.00 0.00 -ATOM 3252 H2 H2O C1084 14.035 30.218 9.317 0.00 0.00 -ATOM 3253 O1 H2O C1085 48.731 33.737 36.306 0.00 0.00 -ATOM 3254 H1 H2O C1085 47.984 34.303 35.958 0.00 0.00 -ATOM 3255 H2 H2O C1085 49.541 34.305 36.449 0.00 0.00 -ATOM 3256 O1 H2O C1086 36.035 48.509 9.453 0.00 0.00 -ATOM 3257 H1 H2O C1086 35.151 48.242 9.836 0.00 0.00 -ATOM 3258 H2 H2O C1086 35.927 48.722 8.482 0.00 0.00 -ATOM 3259 O1 H2O C1087 26.902 32.957 14.684 0.00 0.00 -ATOM 3260 H1 H2O C1087 27.481 32.187 14.419 0.00 0.00 -ATOM 3261 H2 H2O C1087 27.078 33.732 14.077 0.00 0.00 -ATOM 3262 O1 H2O C1088 11.349 13.053 10.467 0.00 0.00 -ATOM 3263 H1 H2O C1088 11.905 13.824 10.157 0.00 0.00 -ATOM 3264 H2 H2O C1088 10.900 13.291 11.329 0.00 0.00 -ATOM 3265 O1 H2O C1089 52.757 18.513 39.704 0.00 0.00 -ATOM 3266 H1 H2O C1089 52.546 17.772 40.342 0.00 0.00 -ATOM 3267 H2 H2O C1089 53.553 18.262 39.153 0.00 0.00 -ATOM 3268 O1 H2O C1090 39.831 55.283 7.267 0.00 0.00 -ATOM 3269 H1 H2O C1090 39.634 56.224 6.993 0.00 0.00 -ATOM 3270 H2 H2O C1090 39.985 55.249 8.255 0.00 0.00 -ATOM 3271 O1 H2O C1091 3.746 13.455 51.150 0.00 0.00 -ATOM 3272 H1 H2O C1091 4.681 13.341 51.489 0.00 0.00 -ATOM 3273 H2 H2O C1091 3.196 13.920 51.845 0.00 0.00 -ATOM 3274 O1 H2O C1092 2.169 58.951 24.221 0.00 0.00 -ATOM 3275 H1 H2O C1092 1.700 59.809 24.013 0.00 0.00 -ATOM 3276 H2 H2O C1092 1.628 58.183 23.878 0.00 0.00 -ATOM 3277 O1 H2O C1093 50.850 25.180 44.982 0.00 0.00 -ATOM 3278 H1 H2O C1093 50.079 24.638 44.648 0.00 0.00 -ATOM 3279 H2 H2O C1093 51.084 25.879 44.307 0.00 0.00 -ATOM 3280 O1 H2O C1094 25.761 25.022 23.527 0.00 0.00 -ATOM 3281 H1 H2O C1094 25.130 25.118 24.297 0.00 0.00 -ATOM 3282 H2 H2O C1094 26.322 24.204 23.655 0.00 0.00 -ATOM 3283 O1 H2O C1095 56.478 19.621 55.614 0.00 0.00 -ATOM 3284 H1 H2O C1095 55.959 19.122 56.308 0.00 0.00 -ATOM 3285 H2 H2O C1095 56.736 18.996 54.878 0.00 0.00 -ATOM 3286 O1 H2O C1096 1.531 3.224 3.336 0.00 0.00 -ATOM 3287 H1 H2O C1096 1.427 2.456 2.703 0.00 0.00 -ATOM 3288 H2 H2O C1096 2.344 3.082 3.901 0.00 0.00 -ATOM 3289 O1 H2O C1097 20.701 47.551 4.656 0.00 0.00 -ATOM 3290 H1 H2O C1097 21.564 47.213 4.280 0.00 0.00 -ATOM 3291 H2 H2O C1097 20.859 47.924 5.570 0.00 0.00 -ATOM 3292 O1 H2O C1098 10.454 40.586 48.857 0.00 0.00 -ATOM 3293 H1 H2O C1098 9.832 41.367 48.915 0.00 0.00 -ATOM 3294 H2 H2O C1098 10.498 40.264 47.911 0.00 0.00 -ATOM 3295 O1 H2O C1099 32.922 49.878 2.513 0.00 0.00 -ATOM 3296 H1 H2O C1099 33.796 49.438 2.307 0.00 0.00 -ATOM 3297 H2 H2O C1099 32.509 49.441 3.313 0.00 0.00 -ATOM 3298 O1 H2O C1100 31.284 5.078 42.097 0.00 0.00 -ATOM 3299 H1 H2O C1100 31.569 5.323 41.170 0.00 0.00 -ATOM 3300 H2 H2O C1100 31.937 5.452 42.755 0.00 0.00 -ATOM 3301 O1 H2O C1101 59.547 36.377 42.755 0.00 0.00 -ATOM 3302 H1 H2O C1101 60.028 36.116 41.918 0.00 0.00 -ATOM 3303 H2 H2O C1101 60.207 36.721 43.424 0.00 0.00 -ATOM 3304 O1 H2O C1102 27.077 16.335 56.106 0.00 0.00 -ATOM 3305 H1 H2O C1102 26.471 17.125 56.204 0.00 0.00 -ATOM 3306 H2 H2O C1102 27.775 16.361 56.821 0.00 0.00 -ATOM 3307 O1 H2O C1103 56.797 53.588 19.426 0.00 0.00 -ATOM 3308 H1 H2O C1103 57.064 52.955 20.153 0.00 0.00 -ATOM 3309 H2 H2O C1103 56.162 54.268 19.794 0.00 0.00 -ATOM 3310 O1 H2O C1104 37.817 29.482 0.357 0.00 0.00 -ATOM 3311 H1 H2O C1104 37.824 30.147 -0.389 0.00 0.00 -ATOM 3312 H2 H2O C1104 38.422 28.719 0.129 0.00 0.00 -ATOM 3313 O1 H2O C1105 37.600 46.507 39.780 0.00 0.00 -ATOM 3314 H1 H2O C1105 37.348 47.096 39.013 0.00 0.00 -ATOM 3315 H2 H2O C1105 38.466 46.819 40.171 0.00 0.00 -ATOM 3316 O1 H2O C1106 5.458 17.103 38.955 0.00 0.00 -ATOM 3317 H1 H2O C1106 4.649 17.688 38.997 0.00 0.00 -ATOM 3318 H2 H2O C1106 6.162 17.546 38.401 0.00 0.00 -ATOM 3319 O1 H2O C1107 33.567 22.723 3.667 0.00 0.00 -ATOM 3320 H1 H2O C1107 33.829 21.852 4.084 0.00 0.00 -ATOM 3321 H2 H2O C1107 33.642 22.652 2.672 0.00 0.00 -ATOM 3322 O1 H2O C1108 0.745 21.033 25.364 0.00 0.00 -ATOM 3323 H1 H2O C1108 1.488 20.370 25.266 0.00 0.00 -ATOM 3324 H2 H2O C1108 0.637 21.540 24.509 0.00 0.00 -ATOM 3325 O1 H2O C1109 15.086 53.798 5.837 0.00 0.00 -ATOM 3326 H1 H2O C1109 15.511 52.913 6.029 0.00 0.00 -ATOM 3327 H2 H2O C1109 15.547 54.511 6.366 0.00 0.00 -ATOM 3328 O1 H2O C1110 58.283 30.582 1.699 0.00 0.00 -ATOM 3329 H1 H2O C1110 58.649 30.067 0.924 0.00 0.00 -ATOM 3330 H2 H2O C1110 57.977 29.946 2.408 0.00 0.00 -ATOM 3331 O1 H2O C1111 12.135 27.911 50.331 0.00 0.00 -ATOM 3332 H1 H2O C1111 12.139 28.723 49.747 0.00 0.00 -ATOM 3333 H2 H2O C1111 11.702 28.131 51.204 0.00 0.00 -ATOM 3334 O1 H2O C1112 18.871 32.581 52.232 0.00 0.00 -ATOM 3335 H1 H2O C1112 18.873 31.903 52.968 0.00 0.00 -ATOM 3336 H2 H2O C1112 19.365 32.216 51.443 0.00 0.00 -ATOM 3337 O1 H2O C1113 55.636 26.645 57.608 0.00 0.00 -ATOM 3338 H1 H2O C1113 54.679 26.930 57.667 0.00 0.00 -ATOM 3339 H2 H2O C1113 56.171 27.130 58.300 0.00 0.00 -ATOM 3340 O1 H2O C1114 53.873 51.652 48.469 0.00 0.00 -ATOM 3341 H1 H2O C1114 54.266 51.313 47.615 0.00 0.00 -ATOM 3342 H2 H2O C1114 53.459 50.892 48.970 0.00 0.00 -ATOM 3343 O1 H2O C1115 46.716 1.171 8.131 0.00 0.00 -ATOM 3344 H1 H2O C1115 45.967 0.666 7.701 0.00 0.00 -ATOM 3345 H2 H2O C1115 46.757 2.094 7.750 0.00 0.00 -ATOM 3346 O1 H2O C1116 17.382 59.308 5.788 0.00 0.00 -ATOM 3347 H1 H2O C1116 17.192 59.818 4.949 0.00 0.00 -ATOM 3348 H2 H2O C1116 17.028 59.815 6.574 0.00 0.00 -ATOM 3349 O1 H2O C1117 25.152 12.180 14.730 0.00 0.00 -ATOM 3350 H1 H2O C1117 25.213 11.718 13.845 0.00 0.00 -ATOM 3351 H2 H2O C1117 25.573 11.609 15.434 0.00 0.00 -ATOM 3352 O1 H2O C1118 6.108 50.970 4.113 0.00 0.00 -ATOM 3353 H1 H2O C1118 6.076 50.892 5.109 0.00 0.00 -ATOM 3354 H2 H2O C1118 6.278 50.069 3.713 0.00 0.00 -ATOM 3355 O1 H2O C1119 40.051 47.234 1.993 0.00 0.00 -ATOM 3356 H1 H2O C1119 39.442 47.526 2.730 0.00 0.00 -ATOM 3357 H2 H2O C1119 40.919 46.925 2.381 0.00 0.00 -ATOM 3358 O1 H2O C1120 5.431 50.608 19.025 0.00 0.00 -ATOM 3359 H1 H2O C1120 5.239 50.507 20.001 0.00 0.00 -ATOM 3360 H2 H2O C1120 4.569 50.668 18.521 0.00 0.00 -ATOM 3361 O1 H2O C1121 24.325 44.544 20.787 0.00 0.00 -ATOM 3362 H1 H2O C1121 24.613 45.298 21.377 0.00 0.00 -ATOM 3363 H2 H2O C1121 23.780 44.904 20.029 0.00 0.00 -ATOM 3364 O1 H2O C1122 56.065 52.908 59.641 0.00 0.00 -ATOM 3365 H1 H2O C1122 55.462 52.665 60.401 0.00 0.00 -ATOM 3366 H2 H2O C1122 56.134 53.904 59.576 0.00 0.00 -ATOM 3367 O1 H2O C1123 33.950 1.852 21.829 0.00 0.00 -ATOM 3368 H1 H2O C1123 33.926 2.304 20.938 0.00 0.00 -ATOM 3369 H2 H2O C1123 33.330 2.322 22.458 0.00 0.00 -ATOM 3370 O1 H2O C1124 36.260 25.580 42.738 0.00 0.00 -ATOM 3371 H1 H2O C1124 35.610 26.323 42.896 0.00 0.00 -ATOM 3372 H2 H2O C1124 36.732 25.729 41.869 0.00 0.00 -ATOM 3373 O1 H2O C1125 51.938 29.669 59.119 0.00 0.00 -ATOM 3374 H1 H2O C1125 52.727 30.279 59.042 0.00 0.00 -ATOM 3375 H2 H2O C1125 52.157 28.787 58.701 0.00 0.00 -ATOM 3376 O1 H2O C1126 53.082 11.888 27.193 0.00 0.00 -ATOM 3377 H1 H2O C1126 53.395 11.940 28.141 0.00 0.00 -ATOM 3378 H2 H2O C1126 53.567 11.151 26.722 0.00 0.00 -ATOM 3379 O1 H2O C1127 16.885 27.204 45.361 0.00 0.00 -ATOM 3380 H1 H2O C1127 16.460 26.326 45.579 0.00 0.00 -ATOM 3381 H2 H2O C1127 16.886 27.785 46.175 0.00 0.00 -ATOM 3382 O1 H2O C1128 47.667 33.758 43.661 0.00 0.00 -ATOM 3383 H1 H2O C1128 48.458 33.176 43.848 0.00 0.00 -ATOM 3384 H2 H2O C1128 47.963 34.573 43.162 0.00 0.00 -ATOM 3385 O1 H2O C1129 57.995 38.153 25.140 0.00 0.00 -ATOM 3386 H1 H2O C1129 58.210 38.563 26.026 0.00 0.00 -ATOM 3387 H2 H2O C1129 57.086 37.737 25.177 0.00 0.00 -ATOM 3388 O1 H2O C1130 43.723 14.079 30.299 0.00 0.00 -ATOM 3389 H1 H2O C1130 43.217 13.605 29.578 0.00 0.00 -ATOM 3390 H2 H2O C1130 44.616 13.645 30.420 0.00 0.00 -ATOM 3391 O1 H2O C1131 30.286 31.606 41.581 0.00 0.00 -ATOM 3392 H1 H2O C1131 29.512 31.209 42.074 0.00 0.00 -ATOM 3393 H2 H2O C1131 30.423 32.550 41.881 0.00 0.00 -ATOM 3394 O1 H2O C1132 28.831 3.663 35.339 0.00 0.00 -ATOM 3395 H1 H2O C1132 28.892 4.644 35.525 0.00 0.00 -ATOM 3396 H2 H2O C1132 28.557 3.521 34.387 0.00 0.00 -ATOM 3397 O1 H2O C1133 43.737 6.772 5.792 0.00 0.00 -ATOM 3398 H1 H2O C1133 43.778 5.962 5.207 0.00 0.00 -ATOM 3399 H2 H2O C1133 42.782 6.992 5.991 0.00 0.00 -ATOM 3400 O1 H2O C1134 39.327 5.483 37.441 0.00 0.00 -ATOM 3401 H1 H2O C1134 39.778 5.416 38.331 0.00 0.00 -ATOM 3402 H2 H2O C1134 39.028 6.426 37.289 0.00 0.00 -ATOM 3403 O1 H2O C1135 16.610 18.430 21.818 0.00 0.00 -ATOM 3404 H1 H2O C1135 15.690 18.099 21.607 0.00 0.00 -ATOM 3405 H2 H2O C1135 16.887 19.105 21.135 0.00 0.00 -ATOM 3406 O1 H2O C1136 23.090 26.861 1.492 0.00 0.00 -ATOM 3407 H1 H2O C1136 22.787 26.153 2.129 0.00 0.00 -ATOM 3408 H2 H2O C1136 23.078 27.750 1.951 0.00 0.00 -ATOM 3409 O1 H2O C1137 33.405 32.442 14.608 0.00 0.00 -ATOM 3410 H1 H2O C1137 33.593 31.662 15.205 0.00 0.00 -ATOM 3411 H2 H2O C1137 33.484 32.157 13.653 0.00 0.00 -ATOM 3412 O1 H2O C1138 0.944 41.513 30.983 0.00 0.00 -ATOM 3413 H1 H2O C1138 0.601 40.574 31.001 0.00 0.00 -ATOM 3414 H2 H2O C1138 0.243 42.117 30.604 0.00 0.00 -ATOM 3415 O1 H2O C1139 42.822 43.587 5.805 0.00 0.00 -ATOM 3416 H1 H2O C1139 42.989 44.507 6.159 0.00 0.00 -ATOM 3417 H2 H2O C1139 42.871 43.599 4.807 0.00 0.00 -ATOM 3418 O1 H2O C1140 42.981 11.041 38.748 0.00 0.00 -ATOM 3419 H1 H2O C1140 42.191 10.431 38.689 0.00 0.00 -ATOM 3420 H2 H2O C1140 43.081 11.541 37.888 0.00 0.00 -ATOM 3421 O1 H2O C1141 2.175 11.652 4.643 0.00 0.00 -ATOM 3422 H1 H2O C1141 1.323 11.961 4.221 0.00 0.00 -ATOM 3423 H2 H2O C1141 1.981 11.276 5.549 0.00 0.00 -ATOM 3424 O1 H2O C1142 25.892 13.826 51.065 0.00 0.00 -ATOM 3425 H1 H2O C1142 25.008 14.275 50.934 0.00 0.00 -ATOM 3426 H2 H2O C1142 26.251 14.052 51.970 0.00 0.00 -ATOM 3427 O1 H2O C1143 0.696 35.931 19.762 0.00 0.00 -ATOM 3428 H1 H2O C1143 0.147 36.102 20.580 0.00 0.00 -ATOM 3429 H2 H2O C1143 1.655 36.139 19.955 0.00 0.00 -ATOM 3430 O1 H2O C1144 43.390 16.937 29.808 0.00 0.00 -ATOM 3431 H1 H2O C1144 43.555 16.854 30.791 0.00 0.00 -ATOM 3432 H2 H2O C1144 43.587 17.872 29.514 0.00 0.00 -ATOM 3433 O1 H2O C1145 49.776 36.945 16.923 0.00 0.00 -ATOM 3434 H1 H2O C1145 49.983 36.061 17.342 0.00 0.00 -ATOM 3435 H2 H2O C1145 50.165 36.976 16.002 0.00 0.00 -ATOM 3436 O1 H2O C1146 28.214 8.332 1.972 0.00 0.00 -ATOM 3437 H1 H2O C1146 28.865 8.158 1.233 0.00 0.00 -ATOM 3438 H2 H2O C1146 27.689 9.158 1.765 0.00 0.00 -ATOM 3439 O1 H2O C1147 34.185 12.451 19.557 0.00 0.00 -ATOM 3440 H1 H2O C1147 34.505 11.658 20.077 0.00 0.00 -ATOM 3441 H2 H2O C1147 33.637 12.140 18.780 0.00 0.00 -ATOM 3442 O1 H2O C1148 32.164 31.570 13.638 0.00 0.00 -ATOM 3443 H1 H2O C1148 31.510 31.865 14.335 0.00 0.00 -ATOM 3444 H2 H2O C1148 32.147 32.213 12.872 0.00 0.00 -ATOM 3445 O1 H2O C1149 28.663 36.418 9.057 0.00 0.00 -ATOM 3446 H1 H2O C1149 28.860 36.225 8.096 0.00 0.00 -ATOM 3447 H2 H2O C1149 29.488 36.272 9.602 0.00 0.00 -ATOM 3448 O1 H2O C1150 3.820 53.323 52.373 0.00 0.00 -ATOM 3449 H1 H2O C1150 4.769 53.456 52.659 0.00 0.00 -ATOM 3450 H2 H2O C1150 3.739 53.505 51.393 0.00 0.00 -ATOM 3451 O1 H2O C1151 44.234 45.271 31.952 0.00 0.00 -ATOM 3452 H1 H2O C1151 44.536 45.533 32.869 0.00 0.00 -ATOM 3453 H2 H2O C1151 44.970 44.780 31.486 0.00 0.00 -ATOM 3454 O1 H2O C1152 51.366 38.786 46.968 0.00 0.00 -ATOM 3455 H1 H2O C1152 51.538 38.440 47.890 0.00 0.00 -ATOM 3456 H2 H2O C1152 50.885 39.661 47.025 0.00 0.00 -ATOM 3457 O1 H2O C1153 39.380 53.335 22.236 0.00 0.00 -ATOM 3458 H1 H2O C1153 39.840 54.219 22.158 0.00 0.00 -ATOM 3459 H2 H2O C1153 38.720 53.236 21.491 0.00 0.00 -ATOM 3460 O1 H2O C1154 28.766 14.466 5.844 0.00 0.00 -ATOM 3461 H1 H2O C1154 27.796 14.534 6.078 0.00 0.00 -ATOM 3462 H2 H2O C1154 29.077 15.333 5.454 0.00 0.00 -ATOM 3463 O1 H2O C1155 36.219 53.410 21.679 0.00 0.00 -ATOM 3464 H1 H2O C1155 36.955 53.105 21.075 0.00 0.00 -ATOM 3465 H2 H2O C1155 35.532 52.689 21.758 0.00 0.00 -ATOM 3466 O1 H2O C1156 39.235 14.215 31.876 0.00 0.00 -ATOM 3467 H1 H2O C1156 38.993 14.969 31.265 0.00 0.00 -ATOM 3468 H2 H2O C1156 39.834 13.575 31.394 0.00 0.00 -ATOM 3469 O1 H2O C1157 58.273 56.326 15.411 0.00 0.00 -ATOM 3470 H1 H2O C1157 58.693 55.576 14.898 0.00 0.00 -ATOM 3471 H2 H2O C1157 58.988 56.868 15.853 0.00 0.00 -ATOM 3472 O1 H2O C1158 49.258 56.754 4.006 0.00 0.00 -ATOM 3473 H1 H2O C1158 49.339 57.523 4.641 0.00 0.00 -ATOM 3474 H2 H2O C1158 48.541 56.134 4.324 0.00 0.00 -ATOM 3475 O1 H2O C1159 41.583 25.879 8.217 0.00 0.00 -ATOM 3476 H1 H2O C1159 42.228 26.357 8.813 0.00 0.00 -ATOM 3477 H2 H2O C1159 41.595 24.902 8.428 0.00 0.00 -ATOM 3478 O1 H2O C1160 9.664 37.744 8.959 0.00 0.00 -ATOM 3479 H1 H2O C1160 9.786 38.405 9.700 0.00 0.00 -ATOM 3480 H2 H2O C1160 8.821 37.227 9.109 0.00 0.00 -ATOM 3481 O1 H2O C1161 14.698 39.815 20.071 0.00 0.00 -ATOM 3482 H1 H2O C1161 14.568 39.132 19.352 0.00 0.00 -ATOM 3483 H2 H2O C1161 15.425 39.516 20.688 0.00 0.00 -ATOM 3484 O1 H2O C1162 40.341 37.363 53.189 0.00 0.00 -ATOM 3485 H1 H2O C1162 39.894 37.560 54.061 0.00 0.00 -ATOM 3486 H2 H2O C1162 40.519 38.220 52.705 0.00 0.00 -ATOM 3487 O1 H2O C1163 36.753 40.268 2.078 0.00 0.00 -ATOM 3488 H1 H2O C1163 35.799 40.253 2.376 0.00 0.00 -ATOM 3489 H2 H2O C1163 37.036 41.212 1.911 0.00 0.00 -ATOM 3490 O1 H2O C1164 27.908 11.126 14.048 0.00 0.00 -ATOM 3491 H1 H2O C1164 28.784 10.710 14.292 0.00 0.00 -ATOM 3492 H2 H2O C1164 27.858 11.241 13.055 0.00 0.00 -ATOM 3493 O1 H2O C1165 0.927 29.188 13.740 0.00 0.00 -ATOM 3494 H1 H2O C1165 1.159 29.863 14.439 0.00 0.00 -ATOM 3495 H2 H2O C1165 -0.053 28.991 13.779 0.00 0.00 -ATOM 3496 O1 H2O C1166 15.055 9.057 49.615 0.00 0.00 -ATOM 3497 H1 H2O C1166 15.722 8.886 48.890 0.00 0.00 -ATOM 3498 H2 H2O C1166 14.150 9.191 49.211 0.00 0.00 -ATOM 3499 O1 H2O C1167 43.089 40.218 50.145 0.00 0.00 -ATOM 3500 H1 H2O C1167 42.160 40.459 49.864 0.00 0.00 -ATOM 3501 H2 H2O C1167 43.223 40.472 51.103 0.00 0.00 -ATOM 3502 O1 H2O C1168 29.356 -0.078 6.148 0.00 0.00 -ATOM 3503 H1 H2O C1168 28.865 -0.515 6.902 0.00 0.00 -ATOM 3504 H2 H2O C1168 29.293 0.915 6.240 0.00 0.00 -ATOM 3505 O1 H2O C1169 27.150 19.136 40.578 0.00 0.00 -ATOM 3506 H1 H2O C1169 26.731 18.753 41.401 0.00 0.00 -ATOM 3507 H2 H2O C1169 27.238 18.421 39.885 0.00 0.00 -ATOM 3508 O1 H2O C1170 51.377 38.670 49.586 0.00 0.00 -ATOM 3509 H1 H2O C1170 51.823 39.552 49.734 0.00 0.00 -ATOM 3510 H2 H2O C1170 51.782 38.220 48.790 0.00 0.00 -ATOM 3511 O1 H2O C1171 35.259 9.118 14.305 0.00 0.00 -ATOM 3512 H1 H2O C1171 35.359 8.802 13.362 0.00 0.00 -ATOM 3513 H2 H2O C1171 36.163 9.264 14.707 0.00 0.00 -ATOM 3514 O1 H2O C1172 8.922 33.361 59.549 0.00 0.00 -ATOM 3515 H1 H2O C1172 9.052 32.475 59.103 0.00 0.00 -ATOM 3516 H2 H2O C1172 9.749 33.604 60.056 0.00 0.00 -ATOM 3517 O1 H2O C1173 32.836 23.978 21.602 0.00 0.00 -ATOM 3518 H1 H2O C1173 32.218 23.693 22.334 0.00 0.00 -ATOM 3519 H2 H2O C1173 33.765 23.674 21.812 0.00 0.00 -ATOM 3520 O1 H2O C1174 28.668 8.140 43.210 0.00 0.00 -ATOM 3521 H1 H2O C1174 28.487 8.036 42.233 0.00 0.00 -ATOM 3522 H2 H2O C1174 29.056 7.291 43.570 0.00 0.00 -ATOM 3523 O1 H2O C1175 50.320 56.516 17.433 0.00 0.00 -ATOM 3524 H1 H2O C1175 49.717 56.979 18.082 0.00 0.00 -ATOM 3525 H2 H2O C1175 50.289 56.990 16.553 0.00 0.00 -ATOM 3526 O1 H2O C1176 43.485 57.911 9.789 0.00 0.00 -ATOM 3527 H1 H2O C1176 42.574 57.913 10.202 0.00 0.00 -ATOM 3528 H2 H2O C1176 43.399 57.864 8.794 0.00 0.00 -ATOM 3529 O1 H2O C1177 15.409 56.629 32.144 0.00 0.00 -ATOM 3530 H1 H2O C1177 16.406 56.600 32.219 0.00 0.00 -ATOM 3531 H2 H2O C1177 15.065 57.455 32.591 0.00 0.00 -ATOM 3532 O1 H2O C1178 43.480 8.356 54.066 0.00 0.00 -ATOM 3533 H1 H2O C1178 43.680 9.195 53.561 0.00 0.00 -ATOM 3534 H2 H2O C1178 44.325 7.836 54.195 0.00 0.00 -ATOM 3535 O1 H2O C1179 4.568 47.785 10.558 0.00 0.00 -ATOM 3536 H1 H2O C1179 3.971 48.583 10.640 0.00 0.00 -ATOM 3537 H2 H2O C1179 4.733 47.592 9.590 0.00 0.00 -ATOM 3538 O1 H2O C1180 0.637 51.109 45.858 0.00 0.00 -ATOM 3539 H1 H2O C1180 0.041 51.638 45.252 0.00 0.00 -ATOM 3540 H2 H2O C1180 0.962 50.295 45.377 0.00 0.00 -ATOM 3541 O1 H2O C1181 42.254 13.512 54.784 0.00 0.00 -ATOM 3542 H1 H2O C1181 41.401 13.807 55.215 0.00 0.00 -ATOM 3543 H2 H2O C1181 42.064 12.768 54.143 0.00 0.00 -ATOM 3544 O1 H2O C1182 0.324 38.447 40.122 0.00 0.00 -ATOM 3545 H1 H2O C1182 0.728 37.612 40.496 0.00 0.00 -ATOM 3546 H2 H2O C1182 0.564 39.223 40.707 0.00 0.00 -ATOM 3547 O1 H2O C1183 18.725 33.724 55.158 0.00 0.00 -ATOM 3548 H1 H2O C1183 18.148 33.789 55.972 0.00 0.00 -ATOM 3549 H2 H2O C1183 19.330 32.931 55.241 0.00 0.00 -ATOM 3550 O1 H2O C1184 22.148 31.327 27.602 0.00 0.00 -ATOM 3551 H1 H2O C1184 21.338 31.657 27.118 0.00 0.00 -ATOM 3552 H2 H2O C1184 22.906 31.229 26.956 0.00 0.00 -ATOM 3553 O1 H2O C1185 11.218 50.265 41.787 0.00 0.00 -ATOM 3554 H1 H2O C1185 10.246 50.250 42.023 0.00 0.00 -ATOM 3555 H2 H2O C1185 11.377 50.948 41.074 0.00 0.00 -ATOM 3556 O1 H2O C1186 21.018 51.226 19.578 0.00 0.00 -ATOM 3557 H1 H2O C1186 21.722 50.667 19.140 0.00 0.00 -ATOM 3558 H2 H2O C1186 21.443 51.824 20.258 0.00 0.00 -ATOM 3559 O1 H2O C1187 30.839 10.148 22.192 0.00 0.00 -ATOM 3560 H1 H2O C1187 30.980 9.482 21.459 0.00 0.00 -ATOM 3561 H2 H2O C1187 31.680 10.669 22.336 0.00 0.00 -ATOM 3562 O1 H2O C1188 30.371 4.531 36.181 0.00 0.00 -ATOM 3563 H1 H2O C1188 30.912 3.886 36.721 0.00 0.00 -ATOM 3564 H2 H2O C1188 29.425 4.212 36.130 0.00 0.00 -ATOM 3565 O1 H2O C1189 19.575 24.375 23.400 0.00 0.00 -ATOM 3566 H1 H2O C1189 20.568 24.463 23.330 0.00 0.00 -ATOM 3567 H2 H2O C1189 19.288 23.504 23.000 0.00 0.00 -ATOM 3568 O1 H2O C1190 24.198 8.216 9.733 0.00 0.00 -ATOM 3569 H1 H2O C1190 24.149 7.410 9.143 0.00 0.00 -ATOM 3570 H2 H2O C1190 23.890 9.020 9.224 0.00 0.00 -ATOM 3571 O1 H2O C1191 58.520 58.943 46.520 0.00 0.00 -ATOM 3572 H1 H2O C1191 58.723 59.181 45.570 0.00 0.00 -ATOM 3573 H2 H2O C1191 59.138 59.443 47.127 0.00 0.00 -ATOM 3574 O1 H2O C1192 57.480 25.800 24.228 0.00 0.00 -ATOM 3575 H1 H2O C1192 56.829 25.064 24.416 0.00 0.00 -ATOM 3576 H2 H2O C1192 57.008 26.681 24.272 0.00 0.00 -ATOM 3577 O1 H2O C1193 59.211 25.276 25.677 0.00 0.00 -ATOM 3578 H1 H2O C1193 59.091 24.283 25.699 0.00 0.00 -ATOM 3579 H2 H2O C1193 58.438 25.716 26.134 0.00 0.00 -ATOM 3580 O1 H2O C1194 1.420 38.739 2.714 0.00 0.00 -ATOM 3581 H1 H2O C1194 0.579 38.710 2.174 0.00 0.00 -ATOM 3582 H2 H2O C1194 1.778 37.812 2.824 0.00 0.00 -ATOM 3583 O1 H2O C1195 10.380 26.318 57.610 0.00 0.00 -ATOM 3584 H1 H2O C1195 11.233 25.814 57.477 0.00 0.00 -ATOM 3585 H2 H2O C1195 10.160 26.827 56.777 0.00 0.00 -ATOM 3586 O1 H2O C1196 31.759 38.314 13.457 0.00 0.00 -ATOM 3587 H1 H2O C1196 31.318 37.936 12.643 0.00 0.00 -ATOM 3588 H2 H2O C1196 32.571 38.830 13.187 0.00 0.00 -ATOM 3589 O1 H2O C1197 30.728 11.321 5.016 0.00 0.00 -ATOM 3590 H1 H2O C1197 31.025 10.442 4.641 0.00 0.00 -ATOM 3591 H2 H2O C1197 30.680 11.258 6.013 0.00 0.00 -ATOM 3592 O1 H2O C1198 5.293 17.434 6.515 0.00 0.00 -ATOM 3593 H1 H2O C1198 5.447 16.764 7.240 0.00 0.00 -ATOM 3594 H2 H2O C1198 4.806 18.224 6.888 0.00 0.00 -ATOM 3595 O1 H2O C1199 4.827 39.510 11.165 0.00 0.00 -ATOM 3596 H1 H2O C1199 4.791 39.061 12.058 0.00 0.00 -ATOM 3597 H2 H2O C1199 5.617 40.121 11.130 0.00 0.00 -ATOM 3598 O1 H2O C1200 34.948 37.209 35.442 0.00 0.00 -ATOM 3599 H1 H2O C1200 35.713 36.702 35.046 0.00 0.00 -ATOM 3600 H2 H2O C1200 35.250 37.673 36.274 0.00 0.00 -ATOM 3601 O1 H2O C1201 40.730 36.409 25.671 0.00 0.00 -ATOM 3602 H1 H2O C1201 41.596 36.572 25.198 0.00 0.00 -ATOM 3603 H2 H2O C1201 40.416 37.259 26.094 0.00 0.00 -ATOM 3604 O1 H2O C1202 7.488 13.963 37.327 0.00 0.00 -ATOM 3605 H1 H2O C1202 7.429 14.569 36.534 0.00 0.00 -ATOM 3606 H2 H2O C1202 7.160 13.052 37.076 0.00 0.00 -ATOM 3607 O1 H2O C1203 53.749 15.423 8.145 0.00 0.00 -ATOM 3608 H1 H2O C1203 54.157 14.596 7.757 0.00 0.00 -ATOM 3609 H2 H2O C1203 53.895 15.434 9.134 0.00 0.00 -ATOM 3610 O1 H2O C1204 52.983 18.039 29.611 0.00 0.00 -ATOM 3611 H1 H2O C1204 52.995 17.431 30.404 0.00 0.00 -ATOM 3612 H2 H2O C1204 52.177 18.630 29.654 0.00 0.00 -ATOM 3613 O1 H2O C1205 13.281 30.683 53.997 0.00 0.00 -ATOM 3614 H1 H2O C1205 13.978 30.339 53.368 0.00 0.00 -ATOM 3615 H2 H2O C1205 13.702 31.315 54.648 0.00 0.00 -ATOM 3616 O1 H2O C1206 28.705 11.813 46.489 0.00 0.00 -ATOM 3617 H1 H2O C1206 28.435 12.689 46.889 0.00 0.00 -ATOM 3618 H2 H2O C1206 28.514 11.822 45.508 0.00 0.00 -ATOM 3619 O1 H2O C1207 33.793 46.669 15.281 0.00 0.00 -ATOM 3620 H1 H2O C1207 34.475 47.400 15.263 0.00 0.00 -ATOM 3621 H2 H2O C1207 32.879 47.064 15.186 0.00 0.00 -ATOM 3622 O1 H2O C1208 14.349 46.766 26.534 0.00 0.00 -ATOM 3623 H1 H2O C1208 13.539 46.250 26.255 0.00 0.00 -ATOM 3624 H2 H2O C1208 14.738 47.230 25.739 0.00 0.00 -ATOM 3625 O1 H2O C1209 51.830 42.173 15.889 0.00 0.00 -ATOM 3626 H1 H2O C1209 50.878 42.480 15.921 0.00 0.00 -ATOM 3627 H2 H2O C1209 51.993 41.515 16.623 0.00 0.00 -ATOM 3628 O1 H2O C1210 22.146 41.152 21.949 0.00 0.00 -ATOM 3629 H1 H2O C1210 21.908 40.243 21.608 0.00 0.00 -ATOM 3630 H2 H2O C1210 22.884 41.073 22.620 0.00 0.00 -ATOM 3631 O1 H2O C1211 6.879 3.589 30.667 0.00 0.00 -ATOM 3632 H1 H2O C1211 6.809 2.981 31.458 0.00 0.00 -ATOM 3633 H2 H2O C1211 6.611 3.094 29.841 0.00 0.00 -ATOM 3634 O1 H2O C1212 21.286 51.344 46.632 0.00 0.00 -ATOM 3635 H1 H2O C1212 20.904 51.841 45.853 0.00 0.00 -ATOM 3636 H2 H2O C1212 21.731 50.509 46.309 0.00 0.00 -ATOM 3637 O1 H2O C1213 49.158 46.501 10.705 0.00 0.00 -ATOM 3638 H1 H2O C1213 48.504 46.112 11.355 0.00 0.00 -ATOM 3639 H2 H2O C1213 48.901 47.445 10.498 0.00 0.00 -ATOM 3640 O1 H2O C1214 1.375 47.804 40.832 0.00 0.00 -ATOM 3641 H1 H2O C1214 0.885 48.067 41.664 0.00 0.00 -ATOM 3642 H2 H2O C1214 2.111 47.169 41.066 0.00 0.00 -ATOM 3643 O1 H2O C1215 24.930 23.172 37.001 0.00 0.00 -ATOM 3644 H1 H2O C1215 24.620 24.029 36.590 0.00 0.00 -ATOM 3645 H2 H2O C1215 24.480 22.403 36.548 0.00 0.00 -ATOM 3646 O1 H2O C1216 29.751 19.507 55.965 0.00 0.00 -ATOM 3647 H1 H2O C1216 30.556 20.099 56.003 0.00 0.00 -ATOM 3648 H2 H2O C1216 29.143 19.720 56.730 0.00 0.00 -ATOM 3649 O1 H2O C1217 42.398 42.758 0.656 0.00 0.00 -ATOM 3650 H1 H2O C1217 43.206 42.883 0.080 0.00 0.00 -ATOM 3651 H2 H2O C1217 41.611 43.202 0.226 0.00 0.00 -ATOM 3652 O1 H2O C1218 40.268 12.375 38.654 0.00 0.00 -ATOM 3653 H1 H2O C1218 39.496 11.801 38.928 0.00 0.00 -ATOM 3654 H2 H2O C1218 41.068 12.144 39.207 0.00 0.00 -ATOM 3655 O1 H2O C1219 7.972 1.365 24.696 0.00 0.00 -ATOM 3656 H1 H2O C1219 8.714 0.697 24.640 0.00 0.00 -ATOM 3657 H2 H2O C1219 7.250 1.012 25.291 0.00 0.00 -ATOM 3658 O1 H2O C1220 32.553 50.719 25.142 0.00 0.00 -ATOM 3659 H1 H2O C1220 33.000 50.454 25.996 0.00 0.00 -ATOM 3660 H2 H2O C1220 31.831 51.383 25.336 0.00 0.00 -ATOM 3661 O1 H2O C1221 25.719 10.600 7.863 0.00 0.00 -ATOM 3662 H1 H2O C1221 24.819 10.971 8.092 0.00 0.00 -ATOM 3663 H2 H2O C1221 26.324 10.682 8.655 0.00 0.00 -ATOM 3664 O1 H2O C1222 12.113 9.372 48.135 0.00 0.00 -ATOM 3665 H1 H2O C1222 11.661 9.345 47.244 0.00 0.00 -ATOM 3666 H2 H2O C1222 13.101 9.277 48.011 0.00 0.00 -ATOM 3667 O1 H2O C1223 10.173 1.864 59.982 0.00 0.00 -ATOM 3668 H1 H2O C1223 10.776 1.375 60.612 0.00 0.00 -ATOM 3669 H2 H2O C1223 9.733 1.210 59.366 0.00 0.00 -ATOM 3670 O1 H2O C1224 2.199 15.742 58.903 0.00 0.00 -ATOM 3671 H1 H2O C1224 2.335 14.904 59.432 0.00 0.00 -ATOM 3672 H2 H2O C1224 1.253 16.050 59.003 0.00 0.00 -ATOM 3673 O1 H2O C1225 1.327 8.349 29.304 0.00 0.00 -ATOM 3674 H1 H2O C1225 0.688 7.932 28.657 0.00 0.00 -ATOM 3675 H2 H2O C1225 2.162 8.615 28.822 0.00 0.00 -ATOM 3676 O1 H2O C1226 54.715 8.187 55.662 0.00 0.00 -ATOM 3677 H1 H2O C1226 54.811 7.320 56.151 0.00 0.00 -ATOM 3678 H2 H2O C1226 54.832 8.031 54.681 0.00 0.00 -ATOM 3679 O1 H2O C1227 6.722 25.904 52.521 0.00 0.00 -ATOM 3680 H1 H2O C1227 6.593 24.997 52.921 0.00 0.00 -ATOM 3681 H2 H2O C1227 7.441 25.863 51.826 0.00 0.00 -ATOM 3682 O1 H2O C1228 26.509 27.453 48.915 0.00 0.00 -ATOM 3683 H1 H2O C1228 27.149 27.130 48.218 0.00 0.00 -ATOM 3684 H2 H2O C1228 25.635 27.680 48.485 0.00 0.00 -ATOM 3685 O1 H2O C1229 39.137 6.216 47.396 0.00 0.00 -ATOM 3686 H1 H2O C1229 38.441 6.855 47.723 0.00 0.00 -ATOM 3687 H2 H2O C1229 38.844 5.821 46.525 0.00 0.00 -ATOM 3688 O1 H2O C1230 45.823 16.919 12.984 0.00 0.00 -ATOM 3689 H1 H2O C1230 45.137 16.887 13.711 0.00 0.00 -ATOM 3690 H2 H2O C1230 46.201 17.843 12.923 0.00 0.00 -ATOM 3691 O1 H2O C1231 46.108 55.641 7.522 0.00 0.00 -ATOM 3692 H1 H2O C1231 46.883 55.530 6.900 0.00 0.00 -ATOM 3693 H2 H2O C1231 45.393 56.176 7.070 0.00 0.00 -ATOM 3694 O1 H2O C1232 14.305 45.870 1.407 0.00 0.00 -ATOM 3695 H1 H2O C1232 13.632 45.132 1.366 0.00 0.00 -ATOM 3696 H2 H2O C1232 14.003 46.561 2.065 0.00 0.00 -ATOM 3697 O1 H2O C1233 32.500 59.406 60.171 0.00 0.00 -ATOM 3698 H1 H2O C1233 32.478 60.344 59.824 0.00 0.00 -ATOM 3699 H2 H2O C1233 32.440 58.766 59.405 0.00 0.00 -ATOM 3700 O1 H2O C1234 38.597 33.169 49.576 0.00 0.00 -ATOM 3701 H1 H2O C1234 37.774 33.516 49.127 0.00 0.00 -ATOM 3702 H2 H2O C1234 38.338 32.523 50.294 0.00 0.00 -ATOM 3703 O1 H2O C1235 43.450 35.372 18.570 0.00 0.00 -ATOM 3704 H1 H2O C1235 43.531 34.474 18.138 0.00 0.00 -ATOM 3705 H2 H2O C1235 43.334 35.258 19.557 0.00 0.00 -ATOM 3706 O1 H2O C1236 47.620 8.949 29.838 0.00 0.00 -ATOM 3707 H1 H2O C1236 47.570 8.105 29.304 0.00 0.00 -ATOM 3708 H2 H2O C1236 47.003 8.885 30.621 0.00 0.00 -ATOM 3709 O1 H2O C1237 26.761 17.502 38.063 0.00 0.00 -ATOM 3710 H1 H2O C1237 26.000 18.112 38.283 0.00 0.00 -ATOM 3711 H2 H2O C1237 26.406 16.653 37.673 0.00 0.00 -ATOM 3712 O1 H2O C1238 47.045 36.924 23.684 0.00 0.00 -ATOM 3713 H1 H2O C1238 46.569 36.176 24.146 0.00 0.00 -ATOM 3714 H2 H2O C1238 47.972 36.634 23.448 0.00 0.00 -ATOM 3715 O1 H2O C1239 1.875 29.315 54.946 0.00 0.00 -ATOM 3716 H1 H2O C1239 1.620 29.055 55.878 0.00 0.00 -ATOM 3717 H2 H2O C1239 2.679 28.793 54.663 0.00 0.00 -ATOM 3718 O1 H2O C1240 49.010 14.417 53.884 0.00 0.00 -ATOM 3719 H1 H2O C1240 49.660 15.008 53.408 0.00 0.00 -ATOM 3720 H2 H2O C1240 48.626 13.756 53.239 0.00 0.00 -ATOM 3721 O1 H2O C1241 6.864 28.627 5.164 0.00 0.00 -ATOM 3722 H1 H2O C1241 7.115 27.866 5.763 0.00 0.00 -ATOM 3723 H2 H2O C1241 6.761 28.294 4.227 0.00 0.00 -ATOM 3724 O1 H2O C1242 2.269 45.104 28.205 0.00 0.00 -ATOM 3725 H1 H2O C1242 1.345 44.932 28.547 0.00 0.00 -ATOM 3726 H2 H2O C1242 2.414 44.586 27.362 0.00 0.00 -ATOM 3727 O1 H2O C1243 15.863 55.590 3.404 0.00 0.00 -ATOM 3728 H1 H2O C1243 16.317 54.700 3.359 0.00 0.00 -ATOM 3729 H2 H2O C1243 16.363 56.187 4.030 0.00 0.00 -ATOM 3730 O1 H2O C1244 17.756 56.250 58.368 0.00 0.00 -ATOM 3731 H1 H2O C1244 17.166 56.264 59.175 0.00 0.00 -ATOM 3732 H2 H2O C1244 18.530 55.638 58.532 0.00 0.00 -ATOM 3733 O1 H2O C1245 13.363 20.165 12.576 0.00 0.00 -ATOM 3734 H1 H2O C1245 12.957 21.003 12.210 0.00 0.00 -ATOM 3735 H2 H2O C1245 12.711 19.412 12.486 0.00 0.00 -ATOM 3736 O1 H2O C1246 42.540 10.799 18.703 0.00 0.00 -ATOM 3737 H1 H2O C1246 41.941 9.999 18.727 0.00 0.00 -ATOM 3738 H2 H2O C1246 42.496 11.221 17.797 0.00 0.00 -ATOM 3739 O1 H2O C1247 19.315 58.281 14.715 0.00 0.00 -ATOM 3740 H1 H2O C1247 19.659 57.342 14.698 0.00 0.00 -ATOM 3741 H2 H2O C1247 18.451 58.310 15.218 0.00 0.00 -ATOM 3742 O1 H2O C1248 16.398 31.272 55.447 0.00 0.00 -ATOM 3743 H1 H2O C1248 17.114 30.899 54.858 0.00 0.00 -ATOM 3744 H2 H2O C1248 15.604 31.519 54.892 0.00 0.00 -ATOM 3745 O1 H2O C1249 38.999 39.178 3.903 0.00 0.00 -ATOM 3746 H1 H2O C1249 39.628 39.125 3.127 0.00 0.00 -ATOM 3747 H2 H2O C1249 39.522 39.184 4.755 0.00 0.00 -ATOM 3748 O1 H2O C1250 3.260 8.847 55.910 0.00 0.00 -ATOM 3749 H1 H2O C1250 2.944 9.716 56.290 0.00 0.00 -ATOM 3750 H2 H2O C1250 3.873 8.401 56.563 0.00 0.00 -ATOM 3751 O1 H2O C1251 25.846 10.545 29.099 0.00 0.00 -ATOM 3752 H1 H2O C1251 25.950 11.537 29.018 0.00 0.00 -ATOM 3753 H2 H2O C1251 26.450 10.204 29.820 0.00 0.00 -ATOM 3754 O1 H2O C1252 12.512 33.791 15.640 0.00 0.00 -ATOM 3755 H1 H2O C1252 13.205 34.281 16.169 0.00 0.00 -ATOM 3756 H2 H2O C1252 11.753 34.409 15.431 0.00 0.00 -ATOM 3757 O1 H2O C1253 21.335 57.636 56.518 0.00 0.00 -ATOM 3758 H1 H2O C1253 21.556 57.640 57.493 0.00 0.00 -ATOM 3759 H2 H2O C1253 22.180 57.616 55.984 0.00 0.00 -ATOM 3760 O1 H2O C1254 4.629 15.721 47.494 0.00 0.00 -ATOM 3761 H1 H2O C1254 4.431 15.580 46.524 0.00 0.00 -ATOM 3762 H2 H2O C1254 3.797 15.575 48.029 0.00 0.00 -ATOM 3763 O1 H2O C1255 59.498 36.346 40.997 0.00 0.00 -ATOM 3764 H1 H2O C1255 59.519 35.975 41.925 0.00 0.00 -ATOM 3765 H2 H2O C1255 59.666 35.611 40.340 0.00 0.00 -ATOM 3766 O1 H2O C1256 19.660 24.180 22.081 0.00 0.00 -ATOM 3767 H1 H2O C1256 20.549 23.721 22.060 0.00 0.00 -ATOM 3768 H2 H2O C1256 19.335 24.317 21.145 0.00 0.00 -ATOM 3769 O1 H2O C1257 56.646 32.875 0.723 0.00 0.00 -ATOM 3770 H1 H2O C1257 55.951 32.933 0.007 0.00 0.00 -ATOM 3771 H2 H2O C1257 56.383 33.458 1.492 0.00 0.00 -ATOM 3772 O1 H2O C1258 53.113 51.056 43.647 0.00 0.00 -ATOM 3773 H1 H2O C1258 53.972 50.544 43.633 0.00 0.00 -ATOM 3774 H2 H2O C1258 53.123 51.742 42.919 0.00 0.00 -ATOM 3775 O1 H2O C1259 33.688 25.754 41.690 0.00 0.00 -ATOM 3776 H1 H2O C1259 34.156 26.374 41.061 0.00 0.00 -ATOM 3777 H2 H2O C1259 33.660 26.164 42.602 0.00 0.00 -ATOM 3778 O1 H2O C1260 49.856 43.412 32.522 0.00 0.00 -ATOM 3779 H1 H2O C1260 49.537 42.888 31.732 0.00 0.00 -ATOM 3780 H2 H2O C1260 49.401 43.079 33.348 0.00 0.00 -ATOM 3781 O1 H2O C1261 56.109 12.067 22.570 0.00 0.00 -ATOM 3782 H1 H2O C1261 55.370 11.512 22.185 0.00 0.00 -ATOM 3783 H2 H2O C1261 56.053 12.996 22.204 0.00 0.00 -ATOM 3784 O1 H2O C1262 56.236 24.309 52.633 0.00 0.00 -ATOM 3785 H1 H2O C1262 57.012 24.215 52.009 0.00 0.00 -ATOM 3786 H2 H2O C1262 55.391 24.080 52.151 0.00 0.00 -ATOM 3787 O1 H2O C1263 38.229 41.629 32.895 0.00 0.00 -ATOM 3788 H1 H2O C1263 38.697 41.033 33.547 0.00 0.00 -ATOM 3789 H2 H2O C1263 37.474 42.097 33.353 0.00 0.00 -ATOM 3790 O1 H2O C1264 43.065 2.961 57.154 0.00 0.00 -ATOM 3791 H1 H2O C1264 42.243 2.403 57.049 0.00 0.00 -ATOM 3792 H2 H2O C1264 42.852 3.769 57.704 0.00 0.00 -ATOM 3793 O1 H2O C1265 23.918 27.805 41.118 0.00 0.00 -ATOM 3794 H1 H2O C1265 23.157 28.101 40.541 0.00 0.00 -ATOM 3795 H2 H2O C1265 24.000 28.421 41.902 0.00 0.00 -ATOM 3796 O1 H2O C1266 43.921 12.310 11.057 0.00 0.00 -ATOM 3797 H1 H2O C1266 44.113 13.277 11.225 0.00 0.00 -ATOM 3798 H2 H2O C1266 43.116 12.034 11.582 0.00 0.00 -ATOM 3799 O1 H2O C1267 2.222 36.737 39.601 0.00 0.00 -ATOM 3800 H1 H2O C1267 2.206 37.705 39.349 0.00 0.00 -ATOM 3801 H2 H2O C1267 2.362 36.182 38.781 0.00 0.00 -ATOM 3802 O1 H2O C1268 34.622 27.861 42.244 0.00 0.00 -ATOM 3803 H1 H2O C1268 34.622 28.860 42.259 0.00 0.00 -ATOM 3804 H2 H2O C1268 34.980 27.514 43.111 0.00 0.00 -ATOM 3805 O1 H2O C1269 9.581 44.752 10.736 0.00 0.00 -ATOM 3806 H1 H2O C1269 9.750 45.047 9.795 0.00 0.00 -ATOM 3807 H2 H2O C1269 9.220 45.520 11.266 0.00 0.00 -ATOM 3808 O1 H2O C1270 55.312 28.998 0.730 0.00 0.00 -ATOM 3809 H1 H2O C1270 54.640 28.404 1.171 0.00 0.00 -ATOM 3810 H2 H2O C1270 56.045 29.210 1.376 0.00 0.00 -ATOM 3811 O1 H2O C1271 35.571 18.736 52.590 0.00 0.00 -ATOM 3812 H1 H2O C1271 34.665 18.738 53.013 0.00 0.00 -ATOM 3813 H2 H2O C1271 36.027 19.607 52.776 0.00 0.00 -ATOM 3814 O1 H2O C1272 17.568 12.227 20.812 0.00 0.00 -ATOM 3815 H1 H2O C1272 17.392 11.974 19.861 0.00 0.00 -ATOM 3816 H2 H2O C1272 18.345 12.855 20.852 0.00 0.00 -ATOM 3817 O1 H2O C1273 23.808 11.640 45.497 0.00 0.00 -ATOM 3818 H1 H2O C1273 23.814 12.612 45.733 0.00 0.00 -ATOM 3819 H2 H2O C1273 23.164 11.156 46.089 0.00 0.00 -ATOM 3820 O1 H2O C1274 7.835 32.132 41.045 0.00 0.00 -ATOM 3821 H1 H2O C1274 8.606 31.863 41.622 0.00 0.00 -ATOM 3822 H2 H2O C1274 7.295 32.831 41.515 0.00 0.00 -ATOM 3823 O1 H2O C1275 50.996 54.033 19.422 0.00 0.00 -ATOM 3824 H1 H2O C1275 51.370 54.097 20.347 0.00 0.00 -ATOM 3825 H2 H2O C1275 50.268 53.348 19.403 0.00 0.00 -ATOM 3826 O1 H2O C1276 49.671 2.315 11.755 0.00 0.00 -ATOM 3827 H1 H2O C1276 48.855 2.505 11.209 0.00 0.00 -ATOM 3828 H2 H2O C1276 50.288 3.101 11.716 0.00 0.00 -ATOM 3829 O1 H2O C1277 59.243 30.036 50.774 0.00 0.00 -ATOM 3830 H1 H2O C1277 58.534 29.385 51.046 0.00 0.00 -ATOM 3831 H2 H2O C1277 59.363 30.719 51.495 0.00 0.00 -ATOM 3832 O1 H2O C1278 48.095 47.982 45.971 0.00 0.00 -ATOM 3833 H1 H2O C1278 47.861 48.616 46.708 0.00 0.00 -ATOM 3834 H2 H2O C1278 49.036 47.664 46.091 0.00 0.00 -ATOM 3835 O1 H2O C1279 6.719 49.375 24.318 0.00 0.00 -ATOM 3836 H1 H2O C1279 7.033 50.297 24.543 0.00 0.00 -ATOM 3837 H2 H2O C1279 6.004 49.427 23.621 0.00 0.00 -ATOM 3838 O1 H2O C1280 3.992 12.481 43.773 0.00 0.00 -ATOM 3839 H1 H2O C1280 3.922 13.443 44.038 0.00 0.00 -ATOM 3840 H2 H2O C1280 4.387 12.416 42.857 0.00 0.00 -ATOM 3841 O1 H2O C1281 2.341 31.081 4.352 0.00 0.00 -ATOM 3842 H1 H2O C1281 1.640 30.990 3.645 0.00 0.00 -ATOM 3843 H2 H2O C1281 3.245 31.102 3.923 0.00 0.00 -ATOM 3844 O1 H2O C1282 49.240 30.838 26.871 0.00 0.00 -ATOM 3845 H1 H2O C1282 49.464 30.797 25.897 0.00 0.00 -ATOM 3846 H2 H2O C1282 49.114 29.910 27.223 0.00 0.00 -ATOM 3847 O1 H2O C1283 58.872 53.104 52.959 0.00 0.00 -ATOM 3848 H1 H2O C1283 58.326 52.893 52.148 0.00 0.00 -ATOM 3849 H2 H2O C1283 59.388 53.946 52.804 0.00 0.00 -ATOM 3850 O1 H2O C1284 54.136 29.718 45.337 0.00 0.00 -ATOM 3851 H1 H2O C1284 54.034 30.598 44.873 0.00 0.00 -ATOM 3852 H2 H2O C1284 53.254 29.436 45.714 0.00 0.00 -ATOM 3853 O1 H2O C1285 21.769 45.959 39.276 0.00 0.00 -ATOM 3854 H1 H2O C1285 21.472 45.784 40.214 0.00 0.00 -ATOM 3855 H2 H2O C1285 22.767 46.029 39.250 0.00 0.00 -ATOM 3856 O1 H2O C1286 26.120 6.265 41.410 0.00 0.00 -ATOM 3857 H1 H2O C1286 26.289 5.310 41.168 0.00 0.00 -ATOM 3858 H2 H2O C1286 25.341 6.610 40.885 0.00 0.00 -ATOM 3859 O1 H2O C1287 39.006 58.706 37.266 0.00 0.00 -ATOM 3860 H1 H2O C1287 38.870 58.998 38.213 0.00 0.00 -ATOM 3861 H2 H2O C1287 39.975 58.775 37.032 0.00 0.00 -ATOM 3862 O1 H2O C1288 42.110 29.892 40.398 0.00 0.00 -ATOM 3863 H1 H2O C1288 42.471 29.209 39.764 0.00 0.00 -ATOM 3864 H2 H2O C1288 41.223 29.587 40.747 0.00 0.00 -ATOM 3865 O1 H2O C1289 27.820 14.135 11.076 0.00 0.00 -ATOM 3866 H1 H2O C1289 28.098 14.956 10.578 0.00 0.00 -ATOM 3867 H2 H2O C1289 26.966 14.313 11.564 0.00 0.00 -ATOM 3868 O1 H2O C1290 19.251 31.672 50.074 0.00 0.00 -ATOM 3869 H1 H2O C1290 19.004 32.598 49.787 0.00 0.00 -ATOM 3870 H2 H2O C1290 18.421 31.151 50.269 0.00 0.00 -ATOM 3871 O1 H2O C1291 52.945 0.624 2.482 0.00 0.00 -ATOM 3872 H1 H2O C1291 52.935 1.549 2.862 0.00 0.00 -ATOM 3873 H2 H2O C1291 53.887 0.291 2.441 0.00 0.00 -ATOM 3874 O1 H2O C1292 17.076 31.725 17.924 0.00 0.00 -ATOM 3875 H1 H2O C1292 16.152 32.028 17.691 0.00 0.00 -ATOM 3876 H2 H2O C1292 17.156 30.742 17.761 0.00 0.00 -ATOM 3877 O1 H2O C1293 30.841 17.732 21.254 0.00 0.00 -ATOM 3878 H1 H2O C1293 30.374 17.094 21.865 0.00 0.00 -ATOM 3879 H2 H2O C1293 30.937 18.618 21.707 0.00 0.00 -ATOM 3880 O1 H2O C1294 55.842 14.537 6.261 0.00 0.00 -ATOM 3881 H1 H2O C1294 55.870 14.315 7.236 0.00 0.00 -ATOM 3882 H2 H2O C1294 55.174 15.264 6.104 0.00 0.00 -ATOM 3883 O1 H2O C1295 57.806 32.577 57.253 0.00 0.00 -ATOM 3884 H1 H2O C1295 58.777 32.432 57.064 0.00 0.00 -ATOM 3885 H2 H2O C1295 57.439 31.782 57.736 0.00 0.00 -ATOM 3886 O1 H2O C1296 24.308 31.360 41.733 0.00 0.00 -ATOM 3887 H1 H2O C1296 25.135 31.912 41.622 0.00 0.00 -ATOM 3888 H2 H2O C1296 23.518 31.963 41.843 0.00 0.00 -ATOM 3889 O1 H2O C1297 23.660 23.837 42.879 0.00 0.00 -ATOM 3890 H1 H2O C1297 24.060 23.567 43.755 0.00 0.00 -ATOM 3891 H2 H2O C1297 24.379 23.885 42.185 0.00 0.00 -ATOM 3892 O1 H2O C1298 53.491 21.129 1.862 0.00 0.00 -ATOM 3893 H1 H2O C1298 52.934 20.623 1.204 0.00 0.00 -ATOM 3894 H2 H2O C1298 54.319 21.463 1.411 0.00 0.00 -ATOM 3895 O1 H2O C1299 56.134 38.857 17.643 0.00 0.00 -ATOM 3896 H1 H2O C1299 56.398 39.622 18.231 0.00 0.00 -ATOM 3897 H2 H2O C1299 56.955 38.394 17.310 0.00 0.00 -ATOM 3898 O1 H2O C1300 56.002 53.566 1.248 0.00 0.00 -ATOM 3899 H1 H2O C1300 55.572 54.255 0.666 0.00 0.00 -ATOM 3900 H2 H2O C1300 55.440 53.418 2.062 0.00 0.00 -ATOM 3901 O1 H2O C1301 41.615 44.967 12.572 0.00 0.00 -ATOM 3902 H1 H2O C1301 40.683 44.732 12.847 0.00 0.00 -ATOM 3903 H2 H2O C1301 41.587 45.686 11.877 0.00 0.00 -ATOM 3904 O1 H2O C1302 21.439 34.625 28.761 0.00 0.00 -ATOM 3905 H1 H2O C1302 21.424 34.485 27.771 0.00 0.00 -ATOM 3906 H2 H2O C1302 20.536 34.422 29.140 0.00 0.00 -ATOM 3907 O1 H2O C1303 13.161 12.512 57.635 0.00 0.00 -ATOM 3908 H1 H2O C1303 13.407 11.577 57.380 0.00 0.00 -ATOM 3909 H2 H2O C1303 12.180 12.558 57.825 0.00 0.00 -ATOM 3910 O1 H2O C1304 29.921 32.052 34.725 0.00 0.00 -ATOM 3911 H1 H2O C1304 28.962 32.307 34.846 0.00 0.00 -ATOM 3912 H2 H2O C1304 30.022 31.064 34.849 0.00 0.00 -ATOM 3913 O1 H2O C1305 2.587 7.773 55.377 0.00 0.00 -ATOM 3914 H1 H2O C1305 3.454 7.576 54.921 0.00 0.00 -ATOM 3915 H2 H2O C1305 2.570 8.732 55.663 0.00 0.00 -ATOM 3916 O1 H2O C1306 47.194 3.752 55.550 0.00 0.00 -ATOM 3917 H1 H2O C1306 47.116 4.684 55.196 0.00 0.00 -ATOM 3918 H2 H2O C1306 46.364 3.518 56.056 0.00 0.00 -ATOM 3919 O1 H2O C1307 53.120 3.262 23.366 0.00 0.00 -ATOM 3920 H1 H2O C1307 52.500 3.367 22.588 0.00 0.00 -ATOM 3921 H2 H2O C1307 52.681 3.612 24.193 0.00 0.00 -ATOM 3922 O1 H2O C1308 51.432 19.047 34.195 0.00 0.00 -ATOM 3923 H1 H2O C1308 52.059 19.300 34.932 0.00 0.00 -ATOM 3924 H2 H2O C1308 50.501 19.318 34.441 0.00 0.00 -ATOM 3925 O1 H2O C1309 59.028 46.752 27.655 0.00 0.00 -ATOM 3926 H1 H2O C1309 59.253 47.711 27.829 0.00 0.00 -ATOM 3927 H2 H2O C1309 59.813 46.178 27.886 0.00 0.00 -ATOM 3928 O1 H2O C1310 47.652 16.867 1.428 0.00 0.00 -ATOM 3929 H1 H2O C1310 47.555 17.423 0.603 0.00 0.00 -ATOM 3930 H2 H2O C1310 48.599 16.906 1.748 0.00 0.00 -ATOM 3931 O1 H2O C1311 30.922 33.261 2.141 0.00 0.00 -ATOM 3932 H1 H2O C1311 30.991 33.704 1.247 0.00 0.00 -ATOM 3933 H2 H2O C1311 31.018 33.947 2.862 0.00 0.00 -ATOM 3934 O1 H2O C1312 44.824 0.493 24.832 0.00 0.00 -ATOM 3935 H1 H2O C1312 44.463 -0.195 24.203 0.00 0.00 -ATOM 3936 H2 H2O C1312 45.820 0.413 24.877 0.00 0.00 -ATOM 3937 O1 H2O C1313 14.834 1.846 20.721 0.00 0.00 -ATOM 3938 H1 H2O C1313 15.654 1.756 21.285 0.00 0.00 -ATOM 3939 H2 H2O C1313 14.169 1.147 20.986 0.00 0.00 -ATOM 3940 O1 H2O C1314 54.302 11.702 2.428 0.00 0.00 -ATOM 3941 H1 H2O C1314 53.836 12.201 3.158 0.00 0.00 -ATOM 3942 H2 H2O C1314 55.219 12.081 2.297 0.00 0.00 -ATOM 3943 O1 H2O C1315 2.105 24.356 44.068 0.00 0.00 -ATOM 3944 H1 H2O C1315 2.461 24.373 43.134 0.00 0.00 -ATOM 3945 H2 H2O C1315 1.163 24.691 44.072 0.00 0.00 -ATOM 3946 O1 H2O C1316 52.799 10.890 51.882 0.00 0.00 -ATOM 3947 H1 H2O C1316 52.674 11.357 51.007 0.00 0.00 -ATOM 3948 H2 H2O C1316 52.826 11.565 52.619 0.00 0.00 -ATOM 3949 O1 H2O C1317 3.131 59.700 13.726 0.00 0.00 -ATOM 3950 H1 H2O C1317 2.458 60.154 13.141 0.00 0.00 -ATOM 3951 H2 H2O C1317 3.204 58.737 13.463 0.00 0.00 -ATOM 3952 O1 H2O C1318 6.100 30.892 14.745 0.00 0.00 -ATOM 3953 H1 H2O C1318 6.527 31.732 14.412 0.00 0.00 -ATOM 3954 H2 H2O C1318 6.741 30.131 14.648 0.00 0.00 -ATOM 3955 O1 H2O C1319 18.002 13.654 15.979 0.00 0.00 -ATOM 3956 H1 H2O C1319 18.701 13.288 15.365 0.00 0.00 -ATOM 3957 H2 H2O C1319 17.100 13.546 15.561 0.00 0.00 -ATOM 3958 O1 H2O C1320 57.373 46.887 13.640 0.00 0.00 -ATOM 3959 H1 H2O C1320 57.701 47.631 14.222 0.00 0.00 -ATOM 3960 H2 H2O C1320 57.295 46.050 14.181 0.00 0.00 -ATOM 3961 O1 H2O C1321 14.307 48.915 31.595 0.00 0.00 -ATOM 3962 H1 H2O C1321 13.961 47.980 31.521 0.00 0.00 -ATOM 3963 H2 H2O C1321 14.080 49.285 32.496 0.00 0.00 -ATOM 3964 O1 H2O C1322 52.125 58.571 30.057 0.00 0.00 -ATOM 3965 H1 H2O C1322 52.224 59.046 30.932 0.00 0.00 -ATOM 3966 H2 H2O C1322 52.928 57.998 29.896 0.00 0.00 -ATOM 3967 O1 H2O C1323 57.261 46.597 36.222 0.00 0.00 -ATOM 3968 H1 H2O C1323 57.732 45.755 36.482 0.00 0.00 -ATOM 3969 H2 H2O C1323 56.925 46.515 35.284 0.00 0.00 -ATOM 3970 O1 H2O C1324 48.955 2.938 56.373 0.00 0.00 -ATOM 3971 H1 H2O C1324 49.694 2.301 56.589 0.00 0.00 -ATOM 3972 H2 H2O C1324 49.064 3.272 55.437 0.00 0.00 -ATOM 3973 O1 H2O C1325 46.678 34.603 36.628 0.00 0.00 -ATOM 3974 H1 H2O C1325 46.950 34.954 35.732 0.00 0.00 -ATOM 3975 H2 H2O C1325 47.453 34.657 37.257 0.00 0.00 -ATOM 3976 O1 H2O C1326 56.688 59.853 31.670 0.00 0.00 -ATOM 3977 H1 H2O C1326 55.800 60.234 31.926 0.00 0.00 -ATOM 3978 H2 H2O C1326 56.765 59.826 30.673 0.00 0.00 -ATOM 3979 O1 H2O C1327 37.376 27.093 18.389 0.00 0.00 -ATOM 3980 H1 H2O C1327 37.029 28.019 18.237 0.00 0.00 -ATOM 3981 H2 H2O C1327 37.178 26.527 17.589 0.00 0.00 -ATOM 3982 O1 H2O C1328 34.544 28.205 18.815 0.00 0.00 -ATOM 3983 H1 H2O C1328 35.420 28.253 18.336 0.00 0.00 -ATOM 3984 H2 H2O C1328 34.050 27.385 18.523 0.00 0.00 -ATOM 3985 O1 H2O C1329 13.937 28.497 22.342 0.00 0.00 -ATOM 3986 H1 H2O C1329 13.237 28.720 21.664 0.00 0.00 -ATOM 3987 H2 H2O C1329 13.858 27.533 22.597 0.00 0.00 -ATOM 3988 O1 H2O C1330 40.279 35.350 59.142 0.00 0.00 -ATOM 3989 H1 H2O C1330 39.319 35.627 59.131 0.00 0.00 -ATOM 3990 H2 H2O C1330 40.698 35.632 60.005 0.00 0.00 -ATOM 3991 O1 H2O C1331 19.398 46.388 28.315 0.00 0.00 -ATOM 3992 H1 H2O C1331 18.532 46.879 28.407 0.00 0.00 -ATOM 3993 H2 H2O C1331 19.224 45.403 28.319 0.00 0.00 -ATOM 3994 O1 H2O C1332 20.182 51.825 25.179 0.00 0.00 -ATOM 3995 H1 H2O C1332 19.966 50.934 25.578 0.00 0.00 -ATOM 3996 H2 H2O C1332 19.457 52.091 24.544 0.00 0.00 -ATOM 3997 O1 H2O C1333 27.726 18.162 1.738 0.00 0.00 -ATOM 3998 H1 H2O C1333 27.437 18.556 2.611 0.00 0.00 -ATOM 3999 H2 H2O C1333 28.276 18.830 1.237 0.00 0.00 -ATOM 4000 O1 H2O C1334 41.128 54.977 2.258 0.00 0.00 -ATOM 4001 H1 H2O C1334 41.460 54.047 2.418 0.00 0.00 -ATOM 4002 H2 H2O C1334 40.624 55.006 1.395 0.00 0.00 -ATOM 4003 O1 H2O C1335 59.675 23.532 7.189 0.00 0.00 -ATOM 4004 H1 H2O C1335 60.466 23.387 6.594 0.00 0.00 -ATOM 4005 H2 H2O C1335 59.833 23.082 8.068 0.00 0.00 -ATOM 4006 O1 H2O C1336 24.320 26.909 36.998 0.00 0.00 -ATOM 4007 H1 H2O C1336 23.377 26.868 37.328 0.00 0.00 -ATOM 4008 H2 H2O C1336 24.709 25.988 36.985 0.00 0.00 -ATOM 4009 O1 H2O C1337 13.465 9.997 58.861 0.00 0.00 -ATOM 4010 H1 H2O C1337 14.231 9.469 59.229 0.00 0.00 -ATOM 4011 H2 H2O C1337 13.794 10.594 58.129 0.00 0.00 -ATOM 4012 O1 H2O C1338 29.582 22.691 45.393 0.00 0.00 -ATOM 4013 H1 H2O C1338 30.532 22.668 45.706 0.00 0.00 -ATOM 4014 H2 H2O C1338 29.048 22.015 45.903 0.00 0.00 -ATOM 4015 O1 H2O C1339 33.448 38.842 7.664 0.00 0.00 -ATOM 4016 H1 H2O C1339 32.909 38.003 7.586 0.00 0.00 -ATOM 4017 H2 H2O C1339 34.265 38.767 7.092 0.00 0.00 -ATOM 4018 O1 H2O C1340 35.032 2.112 26.994 0.00 0.00 -ATOM 4019 H1 H2O C1340 35.011 2.850 27.669 0.00 0.00 -ATOM 4020 H2 H2O C1340 34.471 2.365 26.206 0.00 0.00 -ATOM 4021 O1 H2O C1341 11.027 29.354 9.151 0.00 0.00 -ATOM 4022 H1 H2O C1341 11.461 29.197 8.264 0.00 0.00 -ATOM 4023 H2 H2O C1341 11.342 30.226 9.526 0.00 0.00 -ATOM 4024 O1 H2O C1342 5.298 4.362 41.089 0.00 0.00 -ATOM 4025 H1 H2O C1342 4.919 3.452 41.260 0.00 0.00 -ATOM 4026 H2 H2O C1342 6.119 4.280 40.524 0.00 0.00 -ATOM 4027 O1 H2O C1343 0.999 6.505 22.666 0.00 0.00 -ATOM 4028 H1 H2O C1343 0.852 6.361 21.687 0.00 0.00 -ATOM 4029 H2 H2O C1343 0.427 7.262 22.981 0.00 0.00 -ATOM 4030 O1 H2O C1344 32.617 3.373 38.107 0.00 0.00 -ATOM 4031 H1 H2O C1344 32.828 3.603 37.157 0.00 0.00 -ATOM 4032 H2 H2O C1344 32.135 2.498 38.138 0.00 0.00 -ATOM 4033 O1 H2O C1345 13.774 58.523 35.767 0.00 0.00 -ATOM 4034 H1 H2O C1345 13.454 59.377 35.357 0.00 0.00 -ATOM 4035 H2 H2O C1345 13.155 57.780 35.515 0.00 0.00 -ATOM 4036 O1 H2O C1346 43.325 43.490 8.894 0.00 0.00 -ATOM 4037 H1 H2O C1346 44.175 43.848 9.278 0.00 0.00 -ATOM 4038 H2 H2O C1346 43.514 43.054 8.014 0.00 0.00 -ATOM 4039 O1 H2O C1347 38.141 31.545 18.057 0.00 0.00 -ATOM 4040 H1 H2O C1347 37.147 31.578 17.955 0.00 0.00 -ATOM 4041 H2 H2O C1347 38.374 31.047 18.892 0.00 0.00 -ATOM 4042 O1 H2O C1348 12.190 41.161 33.867 0.00 0.00 -ATOM 4043 H1 H2O C1348 13.179 41.123 33.727 0.00 0.00 -ATOM 4044 H2 H2O C1348 11.948 40.633 34.681 0.00 0.00 -ATOM 4045 O1 H2O C1349 37.478 17.763 32.619 0.00 0.00 -ATOM 4046 H1 H2O C1349 37.762 18.635 33.018 0.00 0.00 -ATOM 4047 H2 H2O C1349 37.328 17.096 33.348 0.00 0.00 -ATOM 4048 O1 H2O C1350 33.551 16.557 47.737 0.00 0.00 -ATOM 4049 H1 H2O C1350 33.691 16.042 48.582 0.00 0.00 -ATOM 4050 H2 H2O C1350 34.277 16.334 47.086 0.00 0.00 -ATOM 4051 O1 H2O C1351 2.350 24.952 51.950 0.00 0.00 -ATOM 4052 H1 H2O C1351 1.608 25.223 51.337 0.00 0.00 -ATOM 4053 H2 H2O C1351 2.121 24.083 52.388 0.00 0.00 -ATOM 4054 O1 H2O C1352 15.272 48.747 58.455 0.00 0.00 -ATOM 4055 H1 H2O C1352 15.608 48.187 57.697 0.00 0.00 -ATOM 4056 H2 H2O C1352 16.012 48.901 59.109 0.00 0.00 -ATOM 4057 O1 H2O C1353 50.043 51.809 10.475 0.00 0.00 -ATOM 4058 H1 H2O C1353 50.509 51.818 11.360 0.00 0.00 -ATOM 4059 H2 H2O C1353 50.447 52.503 9.879 0.00 0.00 -ATOM 4060 O1 H2O C1354 23.719 55.456 56.266 0.00 0.00 -ATOM 4061 H1 H2O C1354 23.203 55.155 55.464 0.00 0.00 -ATOM 4062 H2 H2O C1354 23.089 55.828 56.948 0.00 0.00 -ATOM 4063 O1 H2O C1355 34.085 11.339 33.026 0.00 0.00 -ATOM 4064 H1 H2O C1355 34.267 11.095 33.979 0.00 0.00 -ATOM 4065 H2 H2O C1355 33.139 11.653 32.938 0.00 0.00 -ATOM 4066 O1 H2O C1356 13.262 16.326 1.262 0.00 0.00 -ATOM 4067 H1 H2O C1356 12.992 15.405 1.543 0.00 0.00 -ATOM 4068 H2 H2O C1356 13.809 16.272 0.427 0.00 0.00 -ATOM 4069 O1 H2O C1357 28.566 41.585 11.342 0.00 0.00 -ATOM 4070 H1 H2O C1357 27.639 41.921 11.175 0.00 0.00 -ATOM 4071 H2 H2O C1357 29.219 42.137 10.822 0.00 0.00 -ATOM 4072 O1 H2O C1358 19.755 11.211 60.041 0.00 0.00 -ATOM 4073 H1 H2O C1358 20.381 11.539 59.333 0.00 0.00 -ATOM 4074 H2 H2O C1358 19.336 10.353 59.745 0.00 0.00 -ATOM 4075 O1 H2O C1359 50.915 19.684 56.729 0.00 0.00 -ATOM 4076 H1 H2O C1359 51.094 20.142 57.599 0.00 0.00 -ATOM 4077 H2 H2O C1359 51.712 19.779 56.132 0.00 0.00 -ATOM 4078 O1 H2O C1360 36.341 20.331 14.879 0.00 0.00 -ATOM 4079 H1 H2O C1360 36.616 19.478 15.323 0.00 0.00 -ATOM 4080 H2 H2O C1360 37.030 21.034 15.053 0.00 0.00 -ATOM 4081 O1 H2O C1361 38.296 59.207 35.610 0.00 0.00 -ATOM 4082 H1 H2O C1361 37.834 59.274 36.493 0.00 0.00 -ATOM 4083 H2 H2O C1361 38.979 58.478 35.646 0.00 0.00 -ATOM 4084 O1 H2O C1362 10.884 5.207 3.390 0.00 0.00 -ATOM 4085 H1 H2O C1362 10.473 5.475 2.518 0.00 0.00 -ATOM 4086 H2 H2O C1362 10.161 5.010 4.052 0.00 0.00 -ATOM 4087 O1 H2O C1363 46.814 29.008 29.969 0.00 0.00 -ATOM 4088 H1 H2O C1363 47.134 28.941 29.024 0.00 0.00 -ATOM 4089 H2 H2O C1363 47.488 28.591 30.579 0.00 0.00 -ATOM 4090 O1 H2O C1364 21.770 9.903 22.152 0.00 0.00 -ATOM 4091 H1 H2O C1364 22.254 9.064 22.399 0.00 0.00 -ATOM 4092 H2 H2O C1364 21.074 9.696 21.463 0.00 0.00 -ATOM 4093 O1 H2O C1365 26.340 56.430 17.610 0.00 0.00 -ATOM 4094 H1 H2O C1365 25.473 56.238 18.070 0.00 0.00 -ATOM 4095 H2 H2O C1365 27.049 56.603 18.294 0.00 0.00 -ATOM 4096 O1 H2O C1366 5.972 16.065 41.198 0.00 0.00 -ATOM 4097 H1 H2O C1366 5.335 16.511 40.570 0.00 0.00 -ATOM 4098 H2 H2O C1366 5.815 16.400 42.127 0.00 0.00 -ATOM 4099 O1 H2O C1367 31.366 43.626 3.146 0.00 0.00 -ATOM 4100 H1 H2O C1367 31.828 43.631 4.032 0.00 0.00 -ATOM 4101 H2 H2O C1367 32.005 43.324 2.438 0.00 0.00 -ATOM 4102 O1 H2O C1368 15.465 15.311 12.334 0.00 0.00 -ATOM 4103 H1 H2O C1368 15.583 14.946 13.258 0.00 0.00 -ATOM 4104 H2 H2O C1368 16.017 14.778 11.692 0.00 0.00 -ATOM 4105 O1 H2O C1369 36.552 49.921 37.799 0.00 0.00 -ATOM 4106 H1 H2O C1369 36.261 50.785 37.386 0.00 0.00 -ATOM 4107 H2 H2O C1369 37.046 49.377 37.120 0.00 0.00 -ATOM 4108 O1 H2O C1370 21.900 53.886 24.784 0.00 0.00 -ATOM 4109 H1 H2O C1370 21.522 54.398 25.556 0.00 0.00 -ATOM 4110 H2 H2O C1370 21.289 53.973 23.997 0.00 0.00 -ATOM 4111 O1 H2O C1371 54.488 37.673 50.420 0.00 0.00 -ATOM 4112 H1 H2O C1371 54.930 36.780 50.335 0.00 0.00 -ATOM 4113 H2 H2O C1371 53.707 37.720 49.797 0.00 0.00 -ATOM 4114 O1 H2O C1372 57.219 9.759 15.790 0.00 0.00 -ATOM 4115 H1 H2O C1372 57.721 10.593 16.018 0.00 0.00 -ATOM 4116 H2 H2O C1372 57.138 9.185 16.605 0.00 0.00 -ATOM 4117 O1 H2O C1373 25.341 57.348 17.334 0.00 0.00 -ATOM 4118 H1 H2O C1373 25.036 56.470 17.704 0.00 0.00 -ATOM 4119 H2 H2O C1373 25.938 57.799 17.997 0.00 0.00 -ATOM 4120 O1 H2O C1374 10.018 23.723 7.914 0.00 0.00 -ATOM 4121 H1 H2O C1374 10.316 22.800 7.668 0.00 0.00 -ATOM 4122 H2 H2O C1374 10.409 23.974 8.799 0.00 0.00 -ATOM 4123 O1 H2O C1375 37.358 4.360 22.117 0.00 0.00 -ATOM 4124 H1 H2O C1375 36.881 3.833 21.414 0.00 0.00 -ATOM 4125 H2 H2O C1375 37.287 5.335 21.907 0.00 0.00 -ATOM 4126 O1 H2O C1376 31.602 9.049 13.962 0.00 0.00 -ATOM 4127 H1 H2O C1376 31.240 9.962 13.774 0.00 0.00 -ATOM 4128 H2 H2O C1376 30.844 8.413 14.106 0.00 0.00 -ATOM 4129 O1 H2O C1377 30.991 32.174 44.010 0.00 0.00 -ATOM 4130 H1 H2O C1377 30.555 31.279 43.921 0.00 0.00 -ATOM 4131 H2 H2O C1377 30.747 32.577 44.892 0.00 0.00 -ATOM 4132 O1 H2O C1378 59.061 33.798 32.494 0.00 0.00 -ATOM 4133 H1 H2O C1378 59.723 33.068 32.665 0.00 0.00 -ATOM 4134 H2 H2O C1378 58.878 34.289 33.346 0.00 0.00 -ATOM 4135 O1 H2O C1379 49.941 33.351 42.613 0.00 0.00 -ATOM 4136 H1 H2O C1379 50.231 33.758 43.479 0.00 0.00 -ATOM 4137 H2 H2O C1379 50.012 34.032 41.884 0.00 0.00 -ATOM 4138 O1 H2O C1380 25.205 47.285 31.097 0.00 0.00 -ATOM 4139 H1 H2O C1380 24.444 46.730 30.760 0.00 0.00 -ATOM 4140 H2 H2O C1380 25.634 47.762 30.330 0.00 0.00 -ATOM 4141 O1 H2O C1381 45.902 4.762 43.923 0.00 0.00 -ATOM 4142 H1 H2O C1381 45.318 4.467 44.678 0.00 0.00 -ATOM 4143 H2 H2O C1381 45.420 5.445 43.375 0.00 0.00 -ATOM 4144 O1 H2O C1382 21.489 29.445 8.937 0.00 0.00 -ATOM 4145 H1 H2O C1382 22.424 29.379 8.587 0.00 0.00 -ATOM 4146 H2 H2O C1382 21.508 29.452 9.937 0.00 0.00 -ATOM 4147 O1 H2O C1383 32.504 46.382 13.577 0.00 0.00 -ATOM 4148 H1 H2O C1383 31.669 45.832 13.595 0.00 0.00 -ATOM 4149 H2 H2O C1383 32.315 47.288 13.955 0.00 0.00 -ATOM 4150 O1 H2O C1384 21.131 37.008 4.005 0.00 0.00 -ATOM 4151 H1 H2O C1384 21.599 37.072 4.887 0.00 0.00 -ATOM 4152 H2 H2O C1384 21.795 37.129 3.266 0.00 0.00 -ATOM 4153 O1 H2O C1385 47.474 10.624 5.860 0.00 0.00 -ATOM 4154 H1 H2O C1385 46.586 10.337 5.501 0.00 0.00 -ATOM 4155 H2 H2O C1385 47.504 10.462 6.846 0.00 0.00 -ATOM 4156 O1 H2O C1386 11.559 2.549 18.971 0.00 0.00 -ATOM 4157 H1 H2O C1386 11.698 1.996 19.792 0.00 0.00 -ATOM 4158 H2 H2O C1386 11.118 1.994 18.265 0.00 0.00 -ATOM 4159 O1 H2O C1387 37.804 32.860 33.005 0.00 0.00 -ATOM 4160 H1 H2O C1387 38.513 33.283 33.570 0.00 0.00 -ATOM 4161 H2 H2O C1387 37.656 33.413 32.186 0.00 0.00 -ATOM 4162 O1 H2O C1388 4.197 34.577 22.543 0.00 0.00 -ATOM 4163 H1 H2O C1388 5.040 34.393 23.047 0.00 0.00 -ATOM 4164 H2 H2O C1388 4.417 35.042 21.685 0.00 0.00 -ATOM 4165 O1 H2O C1389 55.854 52.180 8.097 0.00 0.00 -ATOM 4166 H1 H2O C1389 55.762 52.812 7.328 0.00 0.00 -ATOM 4167 H2 H2O C1389 55.005 51.663 8.206 0.00 0.00 -ATOM 4168 O1 H2O C1390 50.249 3.224 59.682 0.00 0.00 -ATOM 4169 H1 H2O C1390 50.864 3.312 58.898 0.00 0.00 -ATOM 4170 H2 H2O C1390 50.544 3.845 60.408 0.00 0.00 -ATOM 4171 O1 H2O C1391 50.840 4.468 16.623 0.00 0.00 -ATOM 4172 H1 H2O C1391 51.333 3.697 16.219 0.00 0.00 -ATOM 4173 H2 H2O C1391 50.174 4.819 15.964 0.00 0.00 -ATOM 4174 O1 H2O C1392 30.435 42.880 10.729 0.00 0.00 -ATOM 4175 H1 H2O C1392 29.700 42.382 11.190 0.00 0.00 -ATOM 4176 H2 H2O C1392 31.247 42.300 10.675 0.00 0.00 -ATOM 4177 O1 H2O C1393 37.937 23.979 36.288 0.00 0.00 -ATOM 4178 H1 H2O C1393 38.385 24.268 37.134 0.00 0.00 -ATOM 4179 H2 H2O C1393 37.660 24.785 35.765 0.00 0.00 -ATOM 4180 O1 H2O C1394 44.188 57.224 40.874 0.00 0.00 -ATOM 4181 H1 H2O C1394 44.629 56.388 40.549 0.00 0.00 -ATOM 4182 H2 H2O C1394 43.234 57.236 40.573 0.00 0.00 -ATOM 4183 O1 H2O C1395 5.468 51.094 29.606 0.00 0.00 -ATOM 4184 H1 H2O C1395 4.995 50.601 28.876 0.00 0.00 -ATOM 4185 H2 H2O C1395 6.312 51.493 29.247 0.00 0.00 -ATOM 4186 O1 H2O C1396 11.094 33.443 22.134 0.00 0.00 -ATOM 4187 H1 H2O C1396 10.454 33.977 21.581 0.00 0.00 -ATOM 4188 H2 H2O C1396 11.862 33.149 21.564 0.00 0.00 -ATOM 4189 O1 H2O C1397 59.403 34.851 42.484 0.00 0.00 -ATOM 4190 H1 H2O C1397 59.737 34.887 43.425 0.00 0.00 -ATOM 4191 H2 H2O C1397 59.013 35.737 42.235 0.00 0.00 -ATOM 4192 O1 H2O C1398 43.006 3.782 51.224 0.00 0.00 -ATOM 4193 H1 H2O C1398 43.425 4.683 51.111 0.00 0.00 -ATOM 4194 H2 H2O C1398 42.022 3.849 51.061 0.00 0.00 -ATOM 4195 O1 H2O C1399 14.170 22.354 48.156 0.00 0.00 -ATOM 4196 H1 H2O C1399 14.019 22.276 47.171 0.00 0.00 -ATOM 4197 H2 H2O C1399 13.294 22.294 48.634 0.00 0.00 -ATOM 4198 O1 H2O C1400 45.698 33.681 56.332 0.00 0.00 -ATOM 4199 H1 H2O C1400 46.320 33.135 55.770 0.00 0.00 -ATOM 4200 H2 H2O C1400 44.929 33.990 55.773 0.00 0.00 -ATOM 4201 O1 H2O C1401 14.812 54.038 2.101 0.00 0.00 -ATOM 4202 H1 H2O C1401 15.063 53.847 1.152 0.00 0.00 -ATOM 4203 H2 H2O C1401 15.166 53.313 2.692 0.00 0.00 -ATOM 4204 O1 H2O C1402 15.960 14.698 39.778 0.00 0.00 -ATOM 4205 H1 H2O C1402 16.063 13.925 39.151 0.00 0.00 -ATOM 4206 H2 H2O C1402 15.974 15.552 39.258 0.00 0.00 -ATOM 4207 O1 H2O C1403 43.847 53.377 50.693 0.00 0.00 -ATOM 4208 H1 H2O C1403 43.692 54.289 51.073 0.00 0.00 -ATOM 4209 H2 H2O C1403 43.424 53.315 49.789 0.00 0.00 -ATOM 4210 O1 H2O C1404 1.109 16.492 57.082 0.00 0.00 -ATOM 4211 H1 H2O C1404 1.785 16.727 56.383 0.00 0.00 -ATOM 4212 H2 H2O C1404 1.572 16.329 57.953 0.00 0.00 -ATOM 4213 O1 H2O C1405 22.797 38.827 22.801 0.00 0.00 -ATOM 4214 H1 H2O C1405 23.286 38.210 22.184 0.00 0.00 -ATOM 4215 H2 H2O C1405 22.545 39.660 22.308 0.00 0.00 -ATOM 4216 O1 H2O C1406 32.238 21.088 37.856 0.00 0.00 -ATOM 4217 H1 H2O C1406 31.745 20.736 37.060 0.00 0.00 -ATOM 4218 H2 H2O C1406 31.587 21.304 38.583 0.00 0.00 -ATOM 4219 O1 H2O C1407 48.024 42.951 14.224 0.00 0.00 -ATOM 4220 H1 H2O C1407 47.259 42.742 13.615 0.00 0.00 -ATOM 4221 H2 H2O C1407 48.866 42.568 13.844 0.00 0.00 -ATOM 4222 O1 H2O C1408 27.862 45.078 44.938 0.00 0.00 -ATOM 4223 H1 H2O C1408 28.407 45.104 44.100 0.00 0.00 -ATOM 4224 H2 H2O C1408 27.329 44.233 44.963 0.00 0.00 -ATOM 4225 O1 H2O C1409 44.453 47.264 42.978 0.00 0.00 -ATOM 4226 H1 H2O C1409 44.326 48.224 43.226 0.00 0.00 -ATOM 4227 H2 H2O C1409 43.657 46.945 42.463 0.00 0.00 -ATOM 4228 O1 H2O C1410 43.769 7.718 31.815 0.00 0.00 -ATOM 4229 H1 H2O C1410 44.166 6.998 31.246 0.00 0.00 -ATOM 4230 H2 H2O C1410 43.007 7.343 32.343 0.00 0.00 -ATOM 4231 O1 H2O C1411 14.958 6.703 28.945 0.00 0.00 -ATOM 4232 H1 H2O C1411 15.326 7.516 29.397 0.00 0.00 -ATOM 4233 H2 H2O C1411 15.574 6.423 28.209 0.00 0.00 -ATOM 4234 O1 H2O C1412 27.628 47.827 59.517 0.00 0.00 -ATOM 4235 H1 H2O C1412 27.728 48.326 60.378 0.00 0.00 -ATOM 4236 H2 H2O C1412 28.204 47.010 59.536 0.00 0.00 -ATOM 4237 O1 H2O C1413 22.283 19.072 7.501 0.00 0.00 -ATOM 4238 H1 H2O C1413 21.734 18.491 8.102 0.00 0.00 -ATOM 4239 H2 H2O C1413 22.996 19.525 8.036 0.00 0.00 -ATOM 4240 O1 H2O C1414 52.160 11.874 8.954 0.00 0.00 -ATOM 4241 H1 H2O C1414 52.462 12.786 8.677 0.00 0.00 -ATOM 4242 H2 H2O C1414 52.323 11.752 9.933 0.00 0.00 -ATOM 4243 O1 H2O C1415 29.774 31.373 14.546 0.00 0.00 -ATOM 4244 H1 H2O C1415 29.106 32.066 14.272 0.00 0.00 -ATOM 4245 H2 H2O C1415 29.435 30.466 14.296 0.00 0.00 -ATOM 4246 O1 H2O C1416 18.329 25.970 43.185 0.00 0.00 -ATOM 4247 H1 H2O C1416 18.111 26.740 42.585 0.00 0.00 -ATOM 4248 H2 H2O C1416 18.209 25.113 42.685 0.00 0.00 -ATOM 4249 O1 H2O C1417 51.196 42.874 52.862 0.00 0.00 -ATOM 4250 H1 H2O C1417 50.388 43.074 53.416 0.00 0.00 -ATOM 4251 H2 H2O C1417 51.104 43.312 51.967 0.00 0.00 -ATOM 4252 O1 H2O C1418 16.172 55.997 37.202 0.00 0.00 -ATOM 4253 H1 H2O C1418 16.923 55.778 37.826 0.00 0.00 -ATOM 4254 H2 H2O C1418 16.146 56.985 37.046 0.00 0.00 -ATOM 4255 O1 H2O C1419 27.160 46.198 9.295 0.00 0.00 -ATOM 4256 H1 H2O C1419 27.924 46.830 9.429 0.00 0.00 -ATOM 4257 H2 H2O C1419 26.359 46.705 8.979 0.00 0.00 -ATOM 4258 O1 H2O C1420 29.153 46.955 3.058 0.00 0.00 -ATOM 4259 H1 H2O C1420 28.731 46.069 3.247 0.00 0.00 -ATOM 4260 H2 H2O C1420 30.028 47.018 3.538 0.00 0.00 -ATOM 4261 O1 H2O C1421 12.577 30.779 36.962 0.00 0.00 -ATOM 4262 H1 H2O C1421 12.020 31.129 36.209 0.00 0.00 -ATOM 4263 H2 H2O C1421 13.480 31.207 36.935 0.00 0.00 -ATOM 4264 O1 H2O C1422 19.070 54.327 53.099 0.00 0.00 -ATOM 4265 H1 H2O C1422 19.803 54.853 52.667 0.00 0.00 -ATOM 4266 H2 H2O C1422 19.463 53.684 53.755 0.00 0.00 -ATOM 4267 O1 H2O C1423 57.992 43.843 9.475 0.00 0.00 -ATOM 4268 H1 H2O C1423 58.291 43.995 8.533 0.00 0.00 -ATOM 4269 H2 H2O C1423 57.028 44.094 9.563 0.00 0.00 -ATOM 4270 O1 H2O C1424 2.072 42.870 34.300 0.00 0.00 -ATOM 4271 H1 H2O C1424 2.952 43.307 34.488 0.00 0.00 -ATOM 4272 H2 H2O C1424 1.866 42.213 35.025 0.00 0.00 -ATOM 4273 O1 H2O C1425 1.886 59.750 54.424 0.00 0.00 -ATOM 4274 H1 H2O C1425 0.977 59.359 54.571 0.00 0.00 -ATOM 4275 H2 H2O C1425 2.338 59.272 53.671 0.00 0.00 -ATOM 4276 O1 H2O C1426 0.302 51.777 11.376 0.00 0.00 -ATOM 4277 H1 H2O C1426 1.148 51.942 11.883 0.00 0.00 -ATOM 4278 H2 H2O C1426 -0.482 51.910 11.982 0.00 0.00 -ATOM 4279 O1 H2O C1427 2.150 39.831 53.798 0.00 0.00 -ATOM 4280 H1 H2O C1427 1.766 40.408 54.519 0.00 0.00 -ATOM 4281 H2 H2O C1427 2.537 39.003 54.205 0.00 0.00 -ATOM 4282 O1 H2O C1428 48.721 9.635 34.470 0.00 0.00 -ATOM 4283 H1 H2O C1428 48.601 8.880 35.115 0.00 0.00 -ATOM 4284 H2 H2O C1428 47.837 10.071 34.299 0.00 0.00 -ATOM 4285 O1 H2O C1429 51.983 30.539 35.029 0.00 0.00 -ATOM 4286 H1 H2O C1429 51.046 30.573 34.680 0.00 0.00 -ATOM 4287 H2 H2O C1429 52.446 31.402 34.823 0.00 0.00 -ATOM 4288 O1 H2O C1430 23.537 53.928 46.424 0.00 0.00 -ATOM 4289 H1 H2O C1430 24.127 53.588 45.691 0.00 0.00 -ATOM 4290 H2 H2O C1430 23.207 54.843 46.189 0.00 0.00 -ATOM 4291 O1 H2O C1431 59.169 16.026 34.404 0.00 0.00 -ATOM 4292 H1 H2O C1431 58.960 16.990 34.239 0.00 0.00 -ATOM 4293 H2 H2O C1431 60.159 15.892 34.383 0.00 0.00 -ATOM 4294 O1 H2O C1432 1.382 44.313 5.178 0.00 0.00 -ATOM 4295 H1 H2O C1432 1.838 44.483 6.052 0.00 0.00 -ATOM 4296 H2 H2O C1432 2.020 43.867 4.551 0.00 0.00 -ATOM 4297 O1 H2O C1433 9.089 47.541 19.661 0.00 0.00 -ATOM 4298 H1 H2O C1433 9.513 46.635 19.687 0.00 0.00 -ATOM 4299 H2 H2O C1433 9.071 47.926 20.584 0.00 0.00 -ATOM 4300 O1 H2O C1434 8.396 46.419 57.635 0.00 0.00 -ATOM 4301 H1 H2O C1434 7.916 47.294 57.699 0.00 0.00 -ATOM 4302 H2 H2O C1434 8.299 45.922 58.497 0.00 0.00 -ATOM 4303 O1 H2O C1435 25.971 48.070 1.943 0.00 0.00 -ATOM 4304 H1 H2O C1435 25.084 48.134 2.402 0.00 0.00 -ATOM 4305 H2 H2O C1435 26.407 48.970 1.933 0.00 0.00 -ATOM 4306 O1 H2O C1436 32.408 27.344 10.063 0.00 0.00 -ATOM 4307 H1 H2O C1436 33.020 27.544 9.298 0.00 0.00 -ATOM 4308 H2 H2O C1436 31.813 26.577 9.823 0.00 0.00 -ATOM 4309 O1 H2O C1437 7.424 20.365 18.770 0.00 0.00 -ATOM 4310 H1 H2O C1437 7.152 19.423 18.965 0.00 0.00 -ATOM 4311 H2 H2O C1437 7.940 20.393 17.914 0.00 0.00 -ATOM 4312 O1 H2O C1438 7.942 36.502 32.063 0.00 0.00 -ATOM 4313 H1 H2O C1438 8.888 36.784 31.899 0.00 0.00 -ATOM 4314 H2 H2O C1438 7.804 35.576 31.713 0.00 0.00 -ATOM 4315 O1 H2O C1439 23.074 41.207 17.989 0.00 0.00 -ATOM 4316 H1 H2O C1439 22.706 40.278 18.022 0.00 0.00 -ATOM 4317 H2 H2O C1439 22.404 41.816 17.564 0.00 0.00 -ATOM 4318 O1 H2O C1440 38.226 14.952 26.619 0.00 0.00 -ATOM 4319 H1 H2O C1440 37.760 14.438 27.339 0.00 0.00 -ATOM 4320 H2 H2O C1440 38.793 14.330 26.078 0.00 0.00 -ATOM 4321 O1 H2O C1441 42.656 0.996 28.701 0.00 0.00 -ATOM 4322 H1 H2O C1441 41.934 0.914 28.013 0.00 0.00 -ATOM 4323 H2 H2O C1441 43.283 0.221 28.619 0.00 0.00 -ATOM 4324 O1 H2O C1442 36.114 45.706 4.591 0.00 0.00 -ATOM 4325 H1 H2O C1442 36.815 46.375 4.344 0.00 0.00 -ATOM 4326 H2 H2O C1442 35.213 46.139 4.557 0.00 0.00 -ATOM 4327 O1 H2O C1443 42.411 38.261 32.192 0.00 0.00 -ATOM 4328 H1 H2O C1443 42.827 39.170 32.218 0.00 0.00 -ATOM 4329 H2 H2O C1443 43.020 37.603 32.634 0.00 0.00 -ATOM 4330 O1 H2O C1444 45.936 23.392 42.130 0.00 0.00 -ATOM 4331 H1 H2O C1444 46.023 24.104 41.433 0.00 0.00 -ATOM 4332 H2 H2O C1444 46.264 22.523 41.761 0.00 0.00 -ATOM 4333 O1 H2O C1445 3.864 51.392 14.719 0.00 0.00 -ATOM 4334 H1 H2O C1445 3.719 51.882 13.860 0.00 0.00 -ATOM 4335 H2 H2O C1445 3.043 51.463 15.286 0.00 0.00 -ATOM 4336 O1 H2O C1446 32.115 18.768 13.006 0.00 0.00 -ATOM 4337 H1 H2O C1446 32.743 18.661 12.235 0.00 0.00 -ATOM 4338 H2 H2O C1446 32.457 18.247 13.789 0.00 0.00 -ATOM 4339 O1 H2O C1447 35.984 37.619 17.950 0.00 0.00 -ATOM 4340 H1 H2O C1447 35.617 38.471 17.577 0.00 0.00 -ATOM 4341 H2 H2O C1447 36.073 36.945 17.217 0.00 0.00 -ATOM 4342 O1 H2O C1448 18.279 8.601 14.456 0.00 0.00 -ATOM 4343 H1 H2O C1448 17.595 8.188 13.854 0.00 0.00 -ATOM 4344 H2 H2O C1448 19.073 7.997 14.521 0.00 0.00 -ATOM 4345 O1 H2O C1449 15.415 5.502 15.807 0.00 0.00 -ATOM 4346 H1 H2O C1449 14.506 5.303 15.442 0.00 0.00 -ATOM 4347 H2 H2O C1449 16.067 5.579 15.053 0.00 0.00 -ATOM 4348 O1 H2O C1450 46.710 19.033 11.267 0.00 0.00 -ATOM 4349 H1 H2O C1450 46.943 18.687 12.176 0.00 0.00 -ATOM 4350 H2 H2O C1450 46.800 18.296 10.597 0.00 0.00 -ATOM 4351 O1 H2O C1451 19.578 24.325 36.019 0.00 0.00 -ATOM 4352 H1 H2O C1451 19.714 25.226 35.606 0.00 0.00 -ATOM 4353 H2 H2O C1451 19.951 24.323 36.946 0.00 0.00 -ATOM 4354 O1 H2O C1452 6.552 25.246 4.300 0.00 0.00 -ATOM 4355 H1 H2O C1452 5.771 24.629 4.397 0.00 0.00 -ATOM 4356 H2 H2O C1452 6.689 25.746 5.156 0.00 0.00 -ATOM 4357 O1 H2O C1453 17.974 47.788 45.875 0.00 0.00 -ATOM 4358 H1 H2O C1453 18.053 48.401 46.661 0.00 0.00 -ATOM 4359 H2 H2O C1453 17.043 47.828 45.512 0.00 0.00 -ATOM 4360 O1 H2O C1454 20.434 14.217 37.274 0.00 0.00 -ATOM 4361 H1 H2O C1454 19.553 14.640 37.060 0.00 0.00 -ATOM 4362 H2 H2O C1454 20.967 14.832 37.854 0.00 0.00 -ATOM 4363 O1 H2O C1455 58.330 57.102 41.634 0.00 0.00 -ATOM 4364 H1 H2O C1455 58.392 56.108 41.544 0.00 0.00 -ATOM 4365 H2 H2O C1455 59.114 57.439 42.154 0.00 0.00 -ATOM 4366 O1 H2O C1456 27.637 48.129 22.401 0.00 0.00 -ATOM 4367 H1 H2O C1456 26.669 48.156 22.651 0.00 0.00 -ATOM 4368 H2 H2O C1456 28.183 47.899 23.207 0.00 0.00 -ATOM 4369 O1 H2O C1457 43.376 0.020 45.616 0.00 0.00 -ATOM 4370 H1 H2O C1457 42.660 0.657 45.902 0.00 0.00 -ATOM 4371 H2 H2O C1457 43.920 -0.249 46.411 0.00 0.00 -ATOM 4372 O1 H2O C1458 41.053 51.355 6.419 0.00 0.00 -ATOM 4373 H1 H2O C1458 42.032 51.169 6.340 0.00 0.00 -ATOM 4374 H2 H2O C1458 40.566 50.903 5.671 0.00 0.00 -ATOM 4375 O1 H2O C1459 26.053 51.188 23.947 0.00 0.00 -ATOM 4376 H1 H2O C1459 26.878 50.623 23.934 0.00 0.00 -ATOM 4377 H2 H2O C1459 25.757 51.326 24.892 0.00 0.00 -ATOM 4378 O1 H2O C1460 38.463 2.719 7.902 0.00 0.00 -ATOM 4379 H1 H2O C1460 37.673 2.124 8.048 0.00 0.00 -ATOM 4380 H2 H2O C1460 38.167 3.563 7.456 0.00 0.00 -ATOM 4381 O1 H2O C1461 11.497 0.712 59.184 0.00 0.00 -ATOM 4382 H1 H2O C1461 12.162 0.804 58.442 0.00 0.00 -ATOM 4383 H2 H2O C1461 11.009 1.577 59.303 0.00 0.00 -ATOM 4384 O1 H2O C1462 6.411 47.020 3.833 0.00 0.00 -ATOM 4385 H1 H2O C1462 6.170 46.050 3.787 0.00 0.00 -ATOM 4386 H2 H2O C1462 6.827 47.302 2.969 0.00 0.00 -ATOM 4387 O1 H2O C1463 55.730 44.955 6.153 0.00 0.00 -ATOM 4388 H1 H2O C1463 56.416 44.298 5.841 0.00 0.00 -ATOM 4389 H2 H2O C1463 55.781 45.044 7.148 0.00 0.00 -ATOM 4390 O1 H2O C1464 49.109 1.649 46.992 0.00 0.00 -ATOM 4391 H1 H2O C1464 49.177 0.656 47.090 0.00 0.00 -ATOM 4392 H2 H2O C1464 48.811 2.050 47.858 0.00 0.00 -ATOM 4393 O1 H2O C1465 49.128 42.174 17.222 0.00 0.00 -ATOM 4394 H1 H2O C1465 49.747 42.221 16.437 0.00 0.00 -ATOM 4395 H2 H2O C1465 48.577 43.007 17.261 0.00 0.00 -ATOM 4396 O1 H2O C1466 54.980 55.863 56.014 0.00 0.00 -ATOM 4397 H1 H2O C1466 55.117 55.066 56.602 0.00 0.00 -ATOM 4398 H2 H2O C1466 54.238 56.424 56.381 0.00 0.00 -ATOM 4399 O1 H2O C1467 21.735 8.184 46.699 0.00 0.00 -ATOM 4400 H1 H2O C1467 21.246 7.535 46.117 0.00 0.00 -ATOM 4401 H2 H2O C1467 21.400 8.108 47.638 0.00 0.00 -ATOM 4402 O1 H2O C1468 35.086 13.122 8.191 0.00 0.00 -ATOM 4403 H1 H2O C1468 35.124 12.999 7.200 0.00 0.00 -ATOM 4404 H2 H2O C1468 35.425 12.296 8.643 0.00 0.00 -ATOM 4405 O1 H2O C1469 59.670 22.593 35.650 0.00 0.00 -ATOM 4406 H1 H2O C1469 59.644 22.185 36.563 0.00 0.00 -ATOM 4407 H2 H2O C1469 59.857 23.572 35.728 0.00 0.00 -ATOM 4408 O1 H2O C1470 35.957 3.231 26.647 0.00 0.00 -ATOM 4409 H1 H2O C1470 35.155 2.982 27.189 0.00 0.00 -ATOM 4410 H2 H2O C1470 35.669 3.764 25.851 0.00 0.00 -ATOM 4411 O1 H2O C1471 55.375 2.236 17.150 0.00 0.00 -ATOM 4412 H1 H2O C1471 55.305 3.110 17.632 0.00 0.00 -ATOM 4413 H2 H2O C1471 55.710 2.394 16.221 0.00 0.00 -ATOM 4414 O1 H2O C1472 17.979 17.905 33.280 0.00 0.00 -ATOM 4415 H1 H2O C1472 18.263 17.871 34.239 0.00 0.00 -ATOM 4416 H2 H2O C1472 17.003 18.122 33.231 0.00 0.00 -ATOM 4417 O1 H2O C1473 0.801 10.672 2.344 0.00 0.00 -ATOM 4418 H1 H2O C1473 -0.072 10.200 2.227 0.00 0.00 -ATOM 4419 H2 H2O C1473 0.815 11.493 1.773 0.00 0.00 -ATOM 4420 O1 H2O C1474 25.794 44.479 55.652 0.00 0.00 -ATOM 4421 H1 H2O C1474 26.055 45.288 55.126 0.00 0.00 -ATOM 4422 H2 H2O C1474 26.613 44.047 56.029 0.00 0.00 -ATOM 4423 O1 H2O C1475 0.215 30.415 33.065 0.00 0.00 -ATOM 4424 H1 H2O C1475 -0.235 30.389 32.172 0.00 0.00 -ATOM 4425 H2 H2O C1475 0.043 29.558 33.550 0.00 0.00 -ATOM 4426 O1 H2O C1476 56.135 13.287 27.734 0.00 0.00 -ATOM 4427 H1 H2O C1476 55.136 13.315 27.703 0.00 0.00 -ATOM 4428 H2 H2O C1476 56.475 12.706 26.994 0.00 0.00 -ATOM 4429 O1 H2O C1477 19.777 56.757 1.708 0.00 0.00 -ATOM 4430 H1 H2O C1477 20.052 57.203 0.856 0.00 0.00 -ATOM 4431 H2 H2O C1477 18.810 56.508 1.658 0.00 0.00 -ATOM 4432 O1 H2O C1478 49.154 6.004 18.822 0.00 0.00 -ATOM 4433 H1 H2O C1478 49.393 5.540 19.675 0.00 0.00 -ATOM 4434 H2 H2O C1478 49.506 5.479 18.047 0.00 0.00 -ATOM 4435 O1 H2O C1479 4.550 53.044 57.058 0.00 0.00 -ATOM 4436 H1 H2O C1479 3.801 53.552 57.482 0.00 0.00 -ATOM 4437 H2 H2O C1479 5.237 52.823 57.751 0.00 0.00 -ATOM 4438 O1 H2O C1480 5.101 5.691 27.159 0.00 0.00 -ATOM 4439 H1 H2O C1480 4.104 5.654 27.223 0.00 0.00 -ATOM 4440 H2 H2O C1480 5.493 5.707 28.079 0.00 0.00 -ATOM 4441 O1 H2O C1481 48.990 57.567 52.604 0.00 0.00 -ATOM 4442 H1 H2O C1481 48.481 58.141 53.246 0.00 0.00 -ATOM 4443 H2 H2O C1481 49.065 58.036 51.724 0.00 0.00 -ATOM 4444 O1 H2O C1482 24.263 15.781 34.161 0.00 0.00 -ATOM 4445 H1 H2O C1482 24.786 15.524 34.974 0.00 0.00 -ATOM 4446 H2 H2O C1482 23.593 15.068 33.956 0.00 0.00 -ATOM 4447 O1 H2O C1483 37.797 39.610 8.608 0.00 0.00 -ATOM 4448 H1 H2O C1483 38.575 39.521 9.231 0.00 0.00 -ATOM 4449 H2 H2O C1483 37.203 38.812 8.701 0.00 0.00 -ATOM 4450 O1 H2O C1484 41.741 57.684 35.500 0.00 0.00 -ATOM 4451 H1 H2O C1484 41.548 57.389 34.564 0.00 0.00 -ATOM 4452 H2 H2O C1484 40.998 57.389 36.102 0.00 0.00 -ATOM 4453 O1 H2O C1485 1.551 37.188 15.871 0.00 0.00 -ATOM 4454 H1 H2O C1485 1.360 36.260 16.191 0.00 0.00 -ATOM 4455 H2 H2O C1485 1.114 37.332 14.983 0.00 0.00 -ATOM 4456 O1 H2O C1486 51.955 56.201 32.566 0.00 0.00 -ATOM 4457 H1 H2O C1486 51.357 56.295 33.361 0.00 0.00 -ATOM 4458 H2 H2O C1486 52.230 57.108 32.246 0.00 0.00 -ATOM 4459 O1 H2O C1487 10.908 2.386 19.376 0.00 0.00 -ATOM 4460 H1 H2O C1487 11.310 1.573 19.797 0.00 0.00 -ATOM 4461 H2 H2O C1487 9.911 2.328 19.424 0.00 0.00 -ATOM 4462 O1 H2O C1488 59.459 31.882 29.132 0.00 0.00 -ATOM 4463 H1 H2O C1488 59.339 32.685 29.716 0.00 0.00 -ATOM 4464 H2 H2O C1488 58.564 31.504 28.895 0.00 0.00 -ATOM 4465 O1 H2O C1489 57.960 9.893 47.696 0.00 0.00 -ATOM 4466 H1 H2O C1489 58.050 9.149 47.034 0.00 0.00 -ATOM 4467 H2 H2O C1489 58.377 9.620 48.562 0.00 0.00 -ATOM 4468 O1 H2O C1490 5.368 38.677 24.802 0.00 0.00 -ATOM 4469 H1 H2O C1490 5.316 39.341 24.056 0.00 0.00 -ATOM 4470 H2 H2O C1490 5.364 39.159 25.678 0.00 0.00 -ATOM 4471 O1 H2O C1491 11.302 29.081 7.263 0.00 0.00 -ATOM 4472 H1 H2O C1491 10.588 29.424 7.873 0.00 0.00 -ATOM 4473 H2 H2O C1491 11.090 28.141 6.997 0.00 0.00 -ATOM 4474 O1 H2O C1492 41.554 30.976 26.512 0.00 0.00 -ATOM 4475 H1 H2O C1492 41.904 31.906 26.395 0.00 0.00 -ATOM 4476 H2 H2O C1492 41.055 30.915 27.376 0.00 0.00 -ATOM 4477 O1 H2O C1493 42.024 0.470 48.341 0.00 0.00 -ATOM 4478 H1 H2O C1493 41.400 1.214 48.580 0.00 0.00 -ATOM 4479 H2 H2O C1493 42.207 -0.085 49.152 0.00 0.00 -ATOM 4480 O1 H2O C1494 43.927 13.915 44.192 0.00 0.00 -ATOM 4481 H1 H2O C1494 43.242 13.712 44.892 0.00 0.00 -ATOM 4482 H2 H2O C1494 43.583 14.634 43.588 0.00 0.00 -ATOM 4483 O1 H2O C1495 4.517 22.715 33.185 0.00 0.00 -ATOM 4484 H1 H2O C1495 3.599 22.841 32.809 0.00 0.00 -ATOM 4485 H2 H2O C1495 5.165 23.289 32.683 0.00 0.00 -ATOM 4486 O1 H2O C1496 20.265 16.791 29.880 0.00 0.00 -ATOM 4487 H1 H2O C1496 20.176 15.982 29.299 0.00 0.00 -ATOM 4488 H2 H2O C1496 19.490 17.402 29.722 0.00 0.00 -ATOM 4489 O1 H2O C1497 52.463 44.864 20.128 0.00 0.00 -ATOM 4490 H1 H2O C1497 52.144 44.596 21.037 0.00 0.00 -ATOM 4491 H2 H2O C1497 52.121 45.778 19.911 0.00 0.00 -ATOM 4492 O1 H2O C1498 22.363 53.278 51.136 0.00 0.00 -ATOM 4493 H1 H2O C1498 23.106 53.919 51.331 0.00 0.00 -ATOM 4494 H2 H2O C1498 22.746 52.405 50.835 0.00 0.00 -ATOM 4495 O1 H2O C1499 20.406 29.531 38.343 0.00 0.00 -ATOM 4496 H1 H2O C1499 21.041 29.300 39.080 0.00 0.00 -ATOM 4497 H2 H2O C1499 20.144 28.698 37.856 0.00 0.00 -ATOM 4498 O1 H2O C1500 12.525 12.356 33.927 0.00 0.00 -ATOM 4499 H1 H2O C1500 12.718 12.851 34.773 0.00 0.00 -ATOM 4500 H2 H2O C1500 11.815 11.672 34.095 0.00 0.00 -ATOM 4501 O1 H2O C1501 51.747 19.975 8.691 0.00 0.00 -ATOM 4502 H1 H2O C1501 52.462 20.674 8.693 0.00 0.00 -ATOM 4503 H2 H2O C1501 51.345 19.906 9.604 0.00 0.00 -ATOM 4504 O1 H2O C1502 43.295 17.669 11.109 0.00 0.00 -ATOM 4505 H1 H2O C1502 42.610 17.166 11.635 0.00 0.00 -ATOM 4506 H2 H2O C1502 42.839 18.329 10.512 0.00 0.00 -ATOM 4507 O1 H2O C1503 13.606 27.225 35.391 0.00 0.00 -ATOM 4508 H1 H2O C1503 12.855 26.732 35.829 0.00 0.00 -ATOM 4509 H2 H2O C1503 14.308 26.574 35.100 0.00 0.00 -ATOM 4510 O1 H2O C1504 28.475 44.849 52.594 0.00 0.00 -ATOM 4511 H1 H2O C1504 28.941 44.007 52.319 0.00 0.00 -ATOM 4512 H2 H2O C1504 28.400 44.877 53.591 0.00 0.00 -ATOM 4513 O1 H2O C1505 56.461 1.081 21.117 0.00 0.00 -ATOM 4514 H1 H2O C1505 56.042 1.968 20.926 0.00 0.00 -ATOM 4515 H2 H2O C1505 57.093 1.170 21.888 0.00 0.00 -ATOM 4516 O1 H2O C1506 45.357 22.510 58.844 0.00 0.00 -ATOM 4517 H1 H2O C1506 45.248 21.700 59.420 0.00 0.00 -ATOM 4518 H2 H2O C1506 46.241 22.937 59.033 0.00 0.00 -ATOM 4519 O1 H2O C1507 47.680 13.183 6.659 0.00 0.00 -ATOM 4520 H1 H2O C1507 47.647 12.544 7.427 0.00 0.00 -ATOM 4521 H2 H2O C1507 48.629 13.441 6.479 0.00 0.00 -ATOM 4522 O1 H2O C1508 35.971 29.543 44.890 0.00 0.00 -ATOM 4523 H1 H2O C1508 35.810 29.476 43.906 0.00 0.00 -ATOM 4524 H2 H2O C1508 36.549 30.336 45.080 0.00 0.00 -ATOM 4525 O1 H2O C1509 5.650 31.997 0.755 0.00 0.00 -ATOM 4526 H1 H2O C1509 6.549 31.560 0.725 0.00 0.00 -ATOM 4527 H2 H2O C1509 5.097 31.574 1.472 0.00 0.00 -ATOM 4528 O1 H2O C1510 28.398 52.116 2.984 0.00 0.00 -ATOM 4529 H1 H2O C1510 29.046 51.607 3.552 0.00 0.00 -ATOM 4530 H2 H2O C1510 28.899 52.747 2.392 0.00 0.00 -ATOM 4531 O1 H2O C1511 47.418 41.246 44.187 0.00 0.00 -ATOM 4532 H1 H2O C1511 48.317 41.668 44.305 0.00 0.00 -ATOM 4533 H2 H2O C1511 46.809 41.550 44.920 0.00 0.00 -ATOM 4534 O1 H2O C1512 23.061 5.940 11.773 0.00 0.00 -ATOM 4535 H1 H2O C1512 23.091 4.952 11.618 0.00 0.00 -ATOM 4536 H2 H2O C1512 23.521 6.410 11.020 0.00 0.00 -ATOM 4537 O1 H2O C1513 53.878 34.797 1.273 0.00 0.00 -ATOM 4538 H1 H2O C1513 54.758 34.325 1.316 0.00 0.00 -ATOM 4539 H2 H2O C1513 53.775 35.229 0.377 0.00 0.00 -ATOM 4540 O1 H2O C1514 28.110 39.896 7.401 0.00 0.00 -ATOM 4541 H1 H2O C1514 27.684 40.794 7.512 0.00 0.00 -ATOM 4542 H2 H2O C1514 28.043 39.387 8.259 0.00 0.00 -ATOM 4543 O1 H2O C1515 5.144 58.585 57.987 0.00 0.00 -ATOM 4544 H1 H2O C1515 4.480 58.462 57.249 0.00 0.00 -ATOM 4545 H2 H2O C1515 5.272 59.562 58.160 0.00 0.00 -ATOM 4546 O1 H2O C1516 8.493 52.908 52.079 0.00 0.00 -ATOM 4547 H1 H2O C1516 7.531 52.883 52.351 0.00 0.00 -ATOM 4548 H2 H2O C1516 8.583 52.576 51.140 0.00 0.00 -ATOM 4549 O1 H2O C1517 32.173 42.794 33.136 0.00 0.00 -ATOM 4550 H1 H2O C1517 32.954 42.975 33.734 0.00 0.00 -ATOM 4551 H2 H2O C1517 31.380 43.310 33.459 0.00 0.00 -ATOM 4552 O1 H2O C1518 10.047 8.142 51.872 0.00 0.00 -ATOM 4553 H1 H2O C1518 9.296 8.424 51.275 0.00 0.00 -ATOM 4554 H2 H2O C1518 9.809 8.340 52.823 0.00 0.00 -ATOM 4555 O1 H2O C1519 55.267 26.625 36.130 0.00 0.00 -ATOM 4556 H1 H2O C1519 55.511 27.414 36.694 0.00 0.00 -ATOM 4557 H2 H2O C1519 54.381 26.266 36.424 0.00 0.00 -ATOM 4558 O1 H2O C1520 49.250 38.354 9.136 0.00 0.00 -ATOM 4559 H1 H2O C1520 49.209 37.456 9.572 0.00 0.00 -ATOM 4560 H2 H2O C1520 48.328 38.735 9.068 0.00 0.00 -ATOM 4561 O1 H2O C1521 56.780 38.484 45.529 0.00 0.00 -ATOM 4562 H1 H2O C1521 57.499 38.785 44.902 0.00 0.00 -ATOM 4563 H2 H2O C1521 56.291 39.281 45.882 0.00 0.00 -ATOM 4564 O1 H2O C1522 46.023 13.501 25.677 0.00 0.00 -ATOM 4565 H1 H2O C1522 45.726 12.721 26.227 0.00 0.00 -ATOM 4566 H2 H2O C1522 46.226 14.274 26.277 0.00 0.00 -ATOM 4567 O1 H2O C1523 26.742 42.573 8.233 0.00 0.00 -ATOM 4568 H1 H2O C1523 27.667 42.206 8.134 0.00 0.00 -ATOM 4569 H2 H2O C1523 26.553 43.207 7.483 0.00 0.00 -ATOM 4570 O1 H2O C1524 10.453 34.272 54.149 0.00 0.00 -ATOM 4571 H1 H2O C1524 10.638 35.109 54.664 0.00 0.00 -ATOM 4572 H2 H2O C1524 10.695 34.412 53.189 0.00 0.00 -ATOM 4573 O1 H2O C1525 22.004 26.109 31.163 0.00 0.00 -ATOM 4574 H1 H2O C1525 21.594 26.490 30.335 0.00 0.00 -ATOM 4575 H2 H2O C1525 23.000 26.179 31.105 0.00 0.00 -ATOM 4576 O1 H2O C1526 49.570 35.971 13.270 0.00 0.00 -ATOM 4577 H1 H2O C1526 48.590 35.784 13.336 0.00 0.00 -ATOM 4578 H2 H2O C1526 50.063 35.115 13.111 0.00 0.00 -ATOM 4579 O1 H2O C1527 27.863 36.046 0.668 0.00 0.00 -ATOM 4580 H1 H2O C1527 26.948 35.667 0.805 0.00 0.00 -ATOM 4581 H2 H2O C1527 28.187 35.816 -0.249 0.00 0.00 -ATOM 4582 O1 H2O C1528 9.252 18.483 58.119 0.00 0.00 -ATOM 4583 H1 H2O C1528 9.093 18.368 59.099 0.00 0.00 -ATOM 4584 H2 H2O C1528 8.376 18.475 57.635 0.00 0.00 -ATOM 4585 O1 H2O C1529 34.761 56.117 50.448 0.00 0.00 -ATOM 4586 H1 H2O C1529 34.189 55.962 51.254 0.00 0.00 -ATOM 4587 H2 H2O C1529 34.758 57.091 50.220 0.00 0.00 -ATOM 4588 O1 H2O C1530 30.640 40.497 17.037 0.00 0.00 -ATOM 4589 H1 H2O C1530 30.464 41.434 17.342 0.00 0.00 -ATOM 4590 H2 H2O C1530 31.615 40.391 16.838 0.00 0.00 -ATOM 4591 O1 H2O C1531 34.361 39.670 53.938 0.00 0.00 -ATOM 4592 H1 H2O C1531 33.803 40.481 53.760 0.00 0.00 -ATOM 4593 H2 H2O C1531 33.919 39.109 54.639 0.00 0.00 -ATOM 4594 O1 H2O C1532 50.271 45.703 46.632 0.00 0.00 -ATOM 4595 H1 H2O C1532 50.248 44.705 46.695 0.00 0.00 -ATOM 4596 H2 H2O C1532 50.944 45.978 45.945 0.00 0.00 -ATOM 4597 O1 H2O C1533 39.675 32.423 3.346 0.00 0.00 -ATOM 4598 H1 H2O C1533 39.340 32.918 2.544 0.00 0.00 -ATOM 4599 H2 H2O C1533 40.545 31.982 3.125 0.00 0.00 -ATOM 4600 O1 H2O C1534 59.925 18.587 21.379 0.00 0.00 -ATOM 4601 H1 H2O C1534 59.933 17.606 21.571 0.00 0.00 -ATOM 4602 H2 H2O C1534 59.698 18.737 20.417 0.00 0.00 -ATOM 4603 O1 H2O C1535 19.646 27.854 57.682 0.00 0.00 -ATOM 4604 H1 H2O C1535 18.788 28.005 57.191 0.00 0.00 -ATOM 4605 H2 H2O C1535 19.700 26.899 57.972 0.00 0.00 -ATOM 4606 O1 H2O C1536 1.407 15.926 0.496 0.00 0.00 -ATOM 4607 H1 H2O C1536 2.186 16.132 -0.095 0.00 0.00 -ATOM 4608 H2 H2O C1536 0.586 16.365 0.131 0.00 0.00 -ATOM 4609 O1 H2O C1537 18.150 58.449 14.229 0.00 0.00 -ATOM 4610 H1 H2O C1537 17.967 57.487 14.028 0.00 0.00 -ATOM 4611 H2 H2O C1537 17.796 58.673 15.137 0.00 0.00 -ATOM 4612 O1 H2O C1538 57.969 26.433 36.704 0.00 0.00 -ATOM 4613 H1 H2O C1538 58.017 25.801 37.477 0.00 0.00 -ATOM 4614 H2 H2O C1538 57.272 26.120 36.060 0.00 0.00 -ATOM 4615 O1 H2O C1539 38.402 13.269 40.909 0.00 0.00 -ATOM 4616 H1 H2O C1539 38.377 12.587 40.178 0.00 0.00 -ATOM 4617 H2 H2O C1539 39.297 13.247 41.354 0.00 0.00 -ATOM 4618 O1 H2O C1540 33.869 15.689 6.874 0.00 0.00 -ATOM 4619 H1 H2O C1540 33.909 16.682 6.979 0.00 0.00 -ATOM 4620 H2 H2O C1540 32.919 15.385 6.945 0.00 0.00 -ATOM 4621 O1 H2O C1541 7.340 2.379 21.338 0.00 0.00 -ATOM 4622 H1 H2O C1541 8.305 2.495 21.573 0.00 0.00 -ATOM 4623 H2 H2O C1541 7.093 1.413 21.414 0.00 0.00 -ATOM 4624 O1 H2O C1542 11.369 22.286 8.942 0.00 0.00 -ATOM 4625 H1 H2O C1542 10.769 21.801 8.306 0.00 0.00 -ATOM 4626 H2 H2O C1542 10.832 22.936 9.479 0.00 0.00 -ATOM 4627 O1 H2O C1543 57.507 46.736 12.696 0.00 0.00 -ATOM 4628 H1 H2O C1543 58.047 47.301 13.320 0.00 0.00 -ATOM 4629 H2 H2O C1543 56.539 46.973 12.784 0.00 0.00 -ATOM 4630 O1 H2O C1544 34.801 41.070 0.832 0.00 0.00 -ATOM 4631 H1 H2O C1544 34.784 41.875 0.239 0.00 0.00 -ATOM 4632 H2 H2O C1544 35.682 41.020 1.302 0.00 0.00 -ATOM 4633 O1 H2O C1545 46.452 43.006 46.880 0.00 0.00 -ATOM 4634 H1 H2O C1545 45.693 43.128 47.519 0.00 0.00 -ATOM 4635 H2 H2O C1545 46.983 42.200 47.142 0.00 0.00 -ATOM 4636 O1 H2O C1546 2.168 47.967 30.628 0.00 0.00 -ATOM 4637 H1 H2O C1546 1.620 48.710 31.011 0.00 0.00 -ATOM 4638 H2 H2O C1546 2.367 48.161 29.667 0.00 0.00 -ATOM 4639 O1 H2O C1547 57.392 15.814 20.929 0.00 0.00 -ATOM 4640 H1 H2O C1547 57.316 16.719 21.348 0.00 0.00 -ATOM 4641 H2 H2O C1547 58.199 15.347 21.289 0.00 0.00 -ATOM 4642 O1 H2O C1548 13.107 3.732 43.997 0.00 0.00 -ATOM 4643 H1 H2O C1548 13.786 3.365 44.633 0.00 0.00 -ATOM 4644 H2 H2O C1548 13.170 3.246 43.126 0.00 0.00 -ATOM 4645 O1 H2O C1549 14.798 14.487 41.662 0.00 0.00 -ATOM 4646 H1 H2O C1549 13.838 14.496 41.380 0.00 0.00 -ATOM 4647 H2 H2O C1549 14.864 14.751 42.624 0.00 0.00 -ATOM 4648 O1 H2O C1550 5.766 50.761 2.778 0.00 0.00 -ATOM 4649 H1 H2O C1550 6.079 49.815 2.695 0.00 0.00 -ATOM 4650 H2 H2O C1550 6.399 51.272 3.360 0.00 0.00 -ATOM 4651 O1 H2O C1551 6.224 45.146 10.838 0.00 0.00 -ATOM 4652 H1 H2O C1551 6.899 45.828 10.558 0.00 0.00 -ATOM 4653 H2 H2O C1551 5.712 44.835 10.037 0.00 0.00 -ATOM 4654 O1 H2O C1552 0.372 1.702 5.312 0.00 0.00 -ATOM 4655 H1 H2O C1552 -0.422 1.958 5.863 0.00 0.00 -ATOM 4656 H2 H2O C1552 0.451 2.323 4.532 0.00 0.00 -ATOM 4657 O1 H2O C1553 5.696 13.646 35.962 0.00 0.00 -ATOM 4658 H1 H2O C1553 5.245 14.104 35.195 0.00 0.00 -ATOM 4659 H2 H2O C1553 6.381 14.257 36.358 0.00 0.00 -ATOM 4660 O1 H2O C1554 18.250 40.940 52.619 0.00 0.00 -ATOM 4661 H1 H2O C1554 18.982 41.032 51.943 0.00 0.00 -ATOM 4662 H2 H2O C1554 18.408 40.121 53.171 0.00 0.00 -ATOM 4663 O1 H2O C1555 51.327 40.894 44.873 0.00 0.00 -ATOM 4664 H1 H2O C1555 50.907 40.195 44.294 0.00 0.00 -ATOM 4665 H2 H2O C1555 52.255 40.611 45.117 0.00 0.00 -ATOM 4666 O1 H2O C1556 23.486 39.991 0.642 0.00 0.00 -ATOM 4667 H1 H2O C1556 24.176 39.351 0.304 0.00 0.00 -ATOM 4668 H2 H2O C1556 22.575 39.600 0.512 0.00 0.00 -ATOM 4669 O1 H2O C1557 46.693 54.056 57.139 0.00 0.00 -ATOM 4670 H1 H2O C1557 45.970 54.573 56.680 0.00 0.00 -ATOM 4671 H2 H2O C1557 47.538 54.591 57.137 0.00 0.00 -ATOM 4672 O1 H2O C1558 53.827 8.914 4.686 0.00 0.00 -ATOM 4673 H1 H2O C1558 53.490 8.676 3.776 0.00 0.00 -ATOM 4674 H2 H2O C1558 54.122 8.084 5.160 0.00 0.00 -ATOM 4675 O1 H2O C1559 7.018 42.080 13.874 0.00 0.00 -ATOM 4676 H1 H2O C1559 6.788 41.680 14.762 0.00 0.00 -ATOM 4677 H2 H2O C1559 6.225 42.021 13.267 0.00 0.00 -ATOM 4678 O1 H2O C1560 53.691 52.955 17.857 0.00 0.00 -ATOM 4679 H1 H2O C1560 52.920 53.428 18.284 0.00 0.00 -ATOM 4680 H2 H2O C1560 53.495 51.975 17.808 0.00 0.00 -ATOM 4681 O1 H2O C1561 30.169 54.272 34.480 0.00 0.00 -ATOM 4682 H1 H2O C1561 30.669 53.557 33.990 0.00 0.00 -ATOM 4683 H2 H2O C1561 29.543 53.851 35.136 0.00 0.00 -ATOM 4684 O1 H2O C1562 51.332 47.270 8.140 0.00 0.00 -ATOM 4685 H1 H2O C1562 50.497 47.808 8.262 0.00 0.00 -ATOM 4686 H2 H2O C1562 51.096 46.364 7.789 0.00 0.00 -ATOM 4687 O1 H2O C1563 39.914 2.232 56.542 0.00 0.00 -ATOM 4688 H1 H2O C1563 40.470 2.037 57.351 0.00 0.00 -ATOM 4689 H2 H2O C1563 39.232 2.928 56.767 0.00 0.00 -ATOM 4690 O1 H2O C1564 45.262 59.522 7.568 0.00 0.00 -ATOM 4691 H1 H2O C1564 46.121 59.832 7.161 0.00 0.00 -ATOM 4692 H2 H2O C1564 45.049 60.085 8.366 0.00 0.00 -ATOM 4693 O1 H2O C1565 21.780 46.968 36.432 0.00 0.00 -ATOM 4694 H1 H2O C1565 21.229 46.652 35.659 0.00 0.00 -ATOM 4695 H2 H2O C1565 22.748 46.954 36.178 0.00 0.00 -ATOM 4696 O1 H2O C1566 18.771 22.300 13.733 0.00 0.00 -ATOM 4697 H1 H2O C1566 19.736 22.212 13.485 0.00 0.00 -ATOM 4698 H2 H2O C1566 18.603 21.820 14.595 0.00 0.00 -ATOM 4699 O1 H2O C1567 7.307 14.244 0.620 0.00 0.00 -ATOM 4700 H1 H2O C1567 7.267 13.245 0.629 0.00 0.00 -ATOM 4701 H2 H2O C1567 7.293 14.569 -0.325 0.00 0.00 -ATOM 4702 O1 H2O C1568 24.280 21.077 55.607 0.00 0.00 -ATOM 4703 H1 H2O C1568 24.591 21.663 56.355 0.00 0.00 -ATOM 4704 H2 H2O C1568 23.282 21.022 55.618 0.00 0.00 -ATOM 4705 O1 H2O C1569 17.699 18.055 10.648 0.00 0.00 -ATOM 4706 H1 H2O C1569 17.159 18.883 10.804 0.00 0.00 -ATOM 4707 H2 H2O C1569 17.898 17.618 11.525 0.00 0.00 -ATOM 4708 O1 H2O C1570 51.611 51.959 54.149 0.00 0.00 -ATOM 4709 H1 H2O C1570 52.590 52.067 54.322 0.00 0.00 -ATOM 4710 H2 H2O C1570 51.107 52.681 54.623 0.00 0.00 -ATOM 4711 O1 H2O C1571 52.102 38.324 16.028 0.00 0.00 -ATOM 4712 H1 H2O C1571 52.464 38.360 16.960 0.00 0.00 -ATOM 4713 H2 H2O C1571 51.169 37.967 16.046 0.00 0.00 -ATOM 4714 O1 H2O C1572 9.528 24.915 13.865 0.00 0.00 -ATOM 4715 H1 H2O C1572 9.820 24.798 14.815 0.00 0.00 -ATOM 4716 H2 H2O C1572 8.564 24.662 13.779 0.00 0.00 -ATOM 4717 O1 H2O C1573 3.253 10.161 42.992 0.00 0.00 -ATOM 4718 H1 H2O C1573 2.454 9.807 43.478 0.00 0.00 -ATOM 4719 H2 H2O C1573 3.607 9.458 42.376 0.00 0.00 -ATOM 4720 O1 H2O C1574 3.294 57.208 8.505 0.00 0.00 -ATOM 4721 H1 H2O C1574 3.973 57.785 8.960 0.00 0.00 -ATOM 4722 H2 H2O C1574 3.603 56.999 7.578 0.00 0.00 -ATOM 4723 O1 H2O C1575 22.675 10.823 52.206 0.00 0.00 -ATOM 4724 H1 H2O C1575 23.330 10.637 52.939 0.00 0.00 -ATOM 4725 H2 H2O C1575 21.784 11.043 52.603 0.00 0.00 -ATOM 4726 O1 H2O C1576 5.629 16.853 41.224 0.00 0.00 -ATOM 4727 H1 H2O C1576 5.407 16.652 42.178 0.00 0.00 -ATOM 4728 H2 H2O C1576 6.503 16.427 40.988 0.00 0.00 -ATOM 4729 O1 H2O C1577 53.996 43.093 28.653 0.00 0.00 -ATOM 4730 H1 H2O C1577 54.471 43.689 28.006 0.00 0.00 -ATOM 4731 H2 H2O C1577 54.664 42.532 29.143 0.00 0.00 -ATOM 4732 O1 H2O C1578 37.633 41.145 4.222 0.00 0.00 -ATOM 4733 H1 H2O C1578 38.089 40.365 3.793 0.00 0.00 -ATOM 4734 H2 H2O C1578 36.700 41.220 3.868 0.00 0.00 -ATOM 4735 O1 H2O C1579 38.360 19.161 59.794 0.00 0.00 -ATOM 4736 H1 H2O C1579 37.880 19.633 59.054 0.00 0.00 -ATOM 4737 H2 H2O C1579 37.775 19.129 60.604 0.00 0.00 -ATOM 4738 O1 H2O C1580 54.565 58.754 5.808 0.00 0.00 -ATOM 4739 H1 H2O C1580 54.622 57.787 6.058 0.00 0.00 -ATOM 4740 H2 H2O C1580 53.832 58.884 5.141 0.00 0.00 -ATOM 4741 O1 H2O C1581 19.215 35.404 34.976 0.00 0.00 -ATOM 4742 H1 H2O C1581 19.863 34.815 34.494 0.00 0.00 -ATOM 4743 H2 H2O C1581 19.533 36.351 34.938 0.00 0.00 -ATOM 4744 O1 H2O C1582 12.789 24.783 10.332 0.00 0.00 -ATOM 4745 H1 H2O C1582 11.801 24.631 10.338 0.00 0.00 -ATOM 4746 H2 H2O C1582 13.015 25.481 9.653 0.00 0.00 -ATOM 4747 O1 H2O C1583 60.069 36.231 21.054 0.00 0.00 -ATOM 4748 H1 H2O C1583 60.479 35.319 21.051 0.00 0.00 -ATOM 4749 H2 H2O C1583 59.083 36.153 21.201 0.00 0.00 -ATOM 4750 O1 H2O C1584 21.975 39.559 37.018 0.00 0.00 -ATOM 4751 H1 H2O C1584 21.296 40.288 36.916 0.00 0.00 -ATOM 4752 H2 H2O C1584 22.161 39.152 36.123 0.00 0.00 -ATOM 4753 O1 H2O C1585 31.765 8.343 23.199 0.00 0.00 -ATOM 4754 H1 H2O C1585 32.576 8.917 23.319 0.00 0.00 -ATOM 4755 H2 H2O C1585 31.366 8.142 24.094 0.00 0.00 -ATOM 4756 O1 H2O C1586 43.121 22.525 57.260 0.00 0.00 -ATOM 4757 H1 H2O C1586 42.761 21.687 56.851 0.00 0.00 -ATOM 4758 H2 H2O C1586 42.789 22.606 58.200 0.00 0.00 -ATOM 4759 O1 H2O C1587 35.599 18.920 28.316 0.00 0.00 -ATOM 4760 H1 H2O C1587 35.220 18.980 29.240 0.00 0.00 -ATOM 4761 H2 H2O C1587 35.316 18.058 27.895 0.00 0.00 -ATOM 4762 O1 H2O C1588 39.822 59.898 30.303 0.00 0.00 -ATOM 4763 H1 H2O C1588 39.159 59.336 30.796 0.00 0.00 -ATOM 4764 H2 H2O C1588 39.713 59.756 29.319 0.00 0.00 -ATOM 4765 O1 H2O C1589 23.958 43.032 4.822 0.00 0.00 -ATOM 4766 H1 H2O C1589 24.032 43.452 5.727 0.00 0.00 -ATOM 4767 H2 H2O C1589 24.776 42.488 4.640 0.00 0.00 -ATOM 4768 O1 H2O C1590 6.379 12.892 30.091 0.00 0.00 -ATOM 4769 H1 H2O C1590 7.256 12.820 29.616 0.00 0.00 -ATOM 4770 H2 H2O C1590 6.199 12.045 30.590 0.00 0.00 -ATOM 4771 O1 H2O C1591 0.105 41.911 31.109 0.00 0.00 -ATOM 4772 H1 H2O C1591 0.831 42.223 30.497 0.00 0.00 -ATOM 4773 H2 H2O C1591 -0.600 42.617 31.178 0.00 0.00 -ATOM 4774 O1 H2O C1592 42.925 38.368 15.118 0.00 0.00 -ATOM 4775 H1 H2O C1592 42.117 38.285 15.702 0.00 0.00 -ATOM 4776 H2 H2O C1592 42.924 39.263 14.673 0.00 0.00 -ATOM 4777 O1 H2O C1593 25.322 37.952 25.945 0.00 0.00 -ATOM 4778 H1 H2O C1593 25.287 38.462 25.085 0.00 0.00 -ATOM 4779 H2 H2O C1593 26.027 38.344 26.536 0.00 0.00 -ATOM 4780 O1 H2O C1594 27.915 35.898 6.986 0.00 0.00 -ATOM 4781 H1 H2O C1594 28.199 36.221 7.889 0.00 0.00 -ATOM 4782 H2 H2O C1594 28.575 35.226 6.650 0.00 0.00 -ATOM 4783 O1 H2O C1595 51.176 34.481 2.000 0.00 0.00 -ATOM 4784 H1 H2O C1595 52.061 34.797 1.659 0.00 0.00 -ATOM 4785 H2 H2O C1595 51.268 33.551 2.355 0.00 0.00 -ATOM 4786 O1 H2O C1596 23.009 1.674 48.300 0.00 0.00 -ATOM 4787 H1 H2O C1596 22.576 2.503 47.944 0.00 0.00 -ATOM 4788 H2 H2O C1596 23.418 1.161 47.545 0.00 0.00 -ATOM 4789 O1 H2O C1597 14.407 4.638 47.192 0.00 0.00 -ATOM 4790 H1 H2O C1597 14.007 3.765 47.471 0.00 0.00 -ATOM 4791 H2 H2O C1597 14.096 5.359 47.811 0.00 0.00 -ATOM 4792 O1 H2O C1598 19.809 46.706 24.783 0.00 0.00 -ATOM 4793 H1 H2O C1598 19.168 47.385 24.426 0.00 0.00 -ATOM 4794 H2 H2O C1598 20.746 46.997 24.586 0.00 0.00 -ATOM 4795 O1 H2O C1599 33.276 8.898 10.230 0.00 0.00 -ATOM 4796 H1 H2O C1599 32.569 9.405 9.737 0.00 0.00 -ATOM 4797 H2 H2O C1599 34.027 8.682 9.606 0.00 0.00 -ATOM 4798 O1 H2O C1600 38.947 49.790 25.134 0.00 0.00 -ATOM 4799 H1 H2O C1600 38.937 50.742 25.443 0.00 0.00 -ATOM 4800 H2 H2O C1600 38.038 49.538 24.803 0.00 0.00 -ATOM 4801 O1 H2O C1601 25.312 15.683 49.416 0.00 0.00 -ATOM 4802 H1 H2O C1601 25.775 16.404 49.932 0.00 0.00 -ATOM 4803 H2 H2O C1601 25.384 15.875 48.437 0.00 0.00 -ATOM 4804 O1 H2O C1602 24.013 27.973 59.959 0.00 0.00 -ATOM 4805 H1 H2O C1602 23.641 27.722 59.065 0.00 0.00 -ATOM 4806 H2 H2O C1602 24.489 28.850 59.887 0.00 0.00 -ATOM 4807 O1 H2O C1603 27.080 20.487 27.275 0.00 0.00 -ATOM 4808 H1 H2O C1603 26.656 21.381 27.422 0.00 0.00 -ATOM 4809 H2 H2O C1603 27.349 20.096 28.155 0.00 0.00 -ATOM 4810 O1 H2O C1604 45.134 16.939 58.682 0.00 0.00 -ATOM 4811 H1 H2O C1604 44.339 16.723 58.116 0.00 0.00 -ATOM 4812 H2 H2O C1604 44.990 17.817 59.138 0.00 0.00 -ATOM 4813 O1 H2O C1605 50.872 29.690 50.620 0.00 0.00 -ATOM 4814 H1 H2O C1605 49.926 29.803 50.923 0.00 0.00 -ATOM 4815 H2 H2O C1605 51.063 28.719 50.479 0.00 0.00 -ATOM 4816 O1 H2O C1606 27.599 57.942 1.464 0.00 0.00 -ATOM 4817 H1 H2O C1606 26.935 57.727 0.747 0.00 0.00 -ATOM 4818 H2 H2O C1606 27.705 57.153 2.068 0.00 0.00 -ATOM 4819 O1 H2O C1607 50.105 49.662 51.775 0.00 0.00 -ATOM 4820 H1 H2O C1607 49.148 49.426 51.603 0.00 0.00 -ATOM 4821 H2 H2O C1607 50.206 50.657 51.780 0.00 0.00 -ATOM 4822 O1 H2O C1608 20.435 47.896 49.158 0.00 0.00 -ATOM 4823 H1 H2O C1608 20.595 47.823 48.173 0.00 0.00 -ATOM 4824 H2 H2O C1608 20.840 48.743 49.500 0.00 0.00 -ATOM 4825 O1 H2O C1609 44.337 29.201 50.179 0.00 0.00 -ATOM 4826 H1 H2O C1609 43.751 29.989 49.992 0.00 0.00 -ATOM 4827 H2 H2O C1609 44.791 29.324 51.061 0.00 0.00 -ATOM 4828 O1 H2O C1610 10.904 21.646 18.073 0.00 0.00 -ATOM 4829 H1 H2O C1610 11.824 21.316 17.860 0.00 0.00 -ATOM 4830 H2 H2O C1610 10.660 22.382 17.442 0.00 0.00 -ATOM 4831 O1 H2O C1611 37.875 57.633 11.110 0.00 0.00 -ATOM 4832 H1 H2O C1611 38.716 58.029 10.741 0.00 0.00 -ATOM 4833 H2 H2O C1611 37.992 57.452 12.086 0.00 0.00 -ATOM 4834 O1 H2O C1612 56.545 37.673 12.300 0.00 0.00 -ATOM 4835 H1 H2O C1612 55.549 37.615 12.369 0.00 0.00 -ATOM 4836 H2 H2O C1612 56.828 37.462 11.365 0.00 0.00 -ATOM 4837 O1 H2O C1613 51.997 4.731 34.186 0.00 0.00 -ATOM 4838 H1 H2O C1613 52.349 3.942 33.681 0.00 0.00 -ATOM 4839 H2 H2O C1613 52.755 5.336 34.429 0.00 0.00 -ATOM 4840 O1 H2O C1614 31.140 54.342 2.243 0.00 0.00 -ATOM 4841 H1 H2O C1614 31.377 53.498 2.725 0.00 0.00 -ATOM 4842 H2 H2O C1614 31.882 54.589 1.620 0.00 0.00 -ATOM 4843 O1 H2O C1615 21.515 17.763 55.677 0.00 0.00 -ATOM 4844 H1 H2O C1615 20.629 17.947 55.251 0.00 0.00 -ATOM 4845 H2 H2O C1615 21.806 16.832 55.454 0.00 0.00 -ATOM 4846 O1 H2O C1616 49.916 48.716 55.154 0.00 0.00 -ATOM 4847 H1 H2O C1616 49.066 48.558 54.653 0.00 0.00 -ATOM 4848 H2 H2O C1616 49.758 49.392 55.874 0.00 0.00 -ATOM 4849 O1 H2O C1617 0.626 24.033 51.761 0.00 0.00 -ATOM 4850 H1 H2O C1617 1.541 24.375 51.977 0.00 0.00 -ATOM 4851 H2 H2O C1617 0.115 24.737 51.268 0.00 0.00 -ATOM 4852 O1 H2O C1618 39.310 10.547 39.372 0.00 0.00 -ATOM 4853 H1 H2O C1618 40.143 10.052 39.618 0.00 0.00 -ATOM 4854 H2 H2O C1618 38.832 10.829 40.204 0.00 0.00 -ATOM 4855 O1 H2O C1619 11.407 0.464 30.669 0.00 0.00 -ATOM 4856 H1 H2O C1619 12.180 -0.154 30.526 0.00 0.00 -ATOM 4857 H2 H2O C1619 11.607 1.078 31.433 0.00 0.00 -ATOM 4858 O1 H2O C1620 13.961 8.188 58.256 0.00 0.00 -ATOM 4859 H1 H2O C1620 13.263 7.669 57.761 0.00 0.00 -ATOM 4860 H2 H2O C1620 13.737 8.202 59.231 0.00 0.00 -ATOM 4861 O1 H2O C1621 33.447 34.593 42.489 0.00 0.00 -ATOM 4862 H1 H2O C1621 34.404 34.322 42.392 0.00 0.00 -ATOM 4863 H2 H2O C1621 33.357 35.571 42.302 0.00 0.00 -ATOM 4864 O1 H2O C1622 2.953 25.469 50.469 0.00 0.00 -ATOM 4865 H1 H2O C1622 2.104 25.004 50.721 0.00 0.00 -ATOM 4866 H2 H2O C1622 3.623 24.795 50.159 0.00 0.00 -ATOM 4867 O1 H2O C1623 28.437 1.957 43.646 0.00 0.00 -ATOM 4868 H1 H2O C1623 28.368 0.969 43.789 0.00 0.00 -ATOM 4869 H2 H2O C1623 28.990 2.137 42.831 0.00 0.00 -ATOM 4870 O1 H2O C1624 53.754 16.179 44.369 0.00 0.00 -ATOM 4871 H1 H2O C1624 52.786 15.933 44.408 0.00 0.00 -ATOM 4872 H2 H2O C1624 54.301 15.444 44.770 0.00 0.00 -ATOM 4873 O1 H2O C1625 8.564 25.181 32.475 0.00 0.00 -ATOM 4874 H1 H2O C1625 7.838 25.721 32.902 0.00 0.00 -ATOM 4875 H2 H2O C1625 8.299 24.946 31.540 0.00 0.00 -ATOM 4876 O1 H2O C1626 53.207 54.801 15.209 0.00 0.00 -ATOM 4877 H1 H2O C1626 53.989 55.260 14.788 0.00 0.00 -ATOM 4878 H2 H2O C1626 52.643 54.384 14.496 0.00 0.00 -ATOM 4879 O1 H2O C1627 44.054 15.576 17.359 0.00 0.00 -ATOM 4880 H1 H2O C1627 43.257 15.003 17.552 0.00 0.00 -ATOM 4881 H2 H2O C1627 44.192 16.220 18.111 0.00 0.00 -ATOM 4882 O1 H2O C1628 41.302 32.179 25.991 0.00 0.00 -ATOM 4883 H1 H2O C1628 41.012 31.905 25.074 0.00 0.00 -ATOM 4884 H2 H2O C1628 41.546 33.148 25.989 0.00 0.00 -ATOM 4885 O1 H2O C1629 56.874 11.857 25.127 0.00 0.00 -ATOM 4886 H1 H2O C1629 57.017 11.009 24.617 0.00 0.00 -ATOM 4887 H2 H2O C1629 56.075 12.335 24.762 0.00 0.00 -ATOM 4888 O1 H2O C1630 43.701 42.389 17.981 0.00 0.00 -ATOM 4889 H1 H2O C1630 44.278 43.159 18.249 0.00 0.00 -ATOM 4890 H2 H2O C1630 42.771 42.714 17.806 0.00 0.00 -ATOM 4891 O1 H2O C1631 34.452 18.888 36.756 0.00 0.00 -ATOM 4892 H1 H2O C1631 34.624 19.857 36.577 0.00 0.00 -ATOM 4893 H2 H2O C1631 35.245 18.489 37.217 0.00 0.00 -ATOM 4894 O1 H2O C1632 14.818 51.501 24.439 0.00 0.00 -ATOM 4895 H1 H2O C1632 13.826 51.602 24.353 0.00 0.00 -ATOM 4896 H2 H2O C1632 15.234 51.507 23.530 0.00 0.00 -ATOM 4897 O1 H2O C1633 29.964 10.056 26.412 0.00 0.00 -ATOM 4898 H1 H2O C1633 30.427 9.794 25.565 0.00 0.00 -ATOM 4899 H2 H2O C1633 29.580 9.243 26.848 0.00 0.00 -ATOM 4900 O1 H2O C1634 20.934 18.980 5.275 0.00 0.00 -ATOM 4901 H1 H2O C1634 21.894 19.259 5.267 0.00 0.00 -ATOM 4902 H2 H2O C1634 20.556 19.110 6.191 0.00 0.00 -ATOM 4903 O1 H2O C1635 51.572 13.238 22.351 0.00 0.00 -ATOM 4904 H1 H2O C1635 52.070 12.937 21.537 0.00 0.00 -ATOM 4905 H2 H2O C1635 50.606 13.359 22.124 0.00 0.00 -ATOM 4906 O1 H2O C1636 24.126 44.928 22.026 0.00 0.00 -ATOM 4907 H1 H2O C1636 24.403 45.696 22.603 0.00 0.00 -ATOM 4908 H2 H2O C1636 24.338 44.068 22.491 0.00 0.00 -ATOM 4909 O1 H2O C1637 55.560 3.815 12.378 0.00 0.00 -ATOM 4910 H1 H2O C1637 55.657 4.582 11.744 0.00 0.00 -ATOM 4911 H2 H2O C1637 54.786 3.246 12.098 0.00 0.00 -ATOM 4912 O1 H2O C1638 7.839 8.272 28.252 0.00 0.00 -ATOM 4913 H1 H2O C1638 7.856 7.511 27.602 0.00 0.00 -ATOM 4914 H2 H2O C1638 7.735 7.915 29.180 0.00 0.00 -ATOM 4915 O1 H2O C1639 46.566 53.710 13.898 0.00 0.00 -ATOM 4916 H1 H2O C1639 46.906 53.083 14.600 0.00 0.00 -ATOM 4917 H2 H2O C1639 46.713 54.653 14.195 0.00 0.00 -ATOM 4918 O1 H2O C1640 40.714 49.444 8.022 0.00 0.00 -ATOM 4919 H1 H2O C1640 40.808 48.547 7.591 0.00 0.00 -ATOM 4920 H2 H2O C1640 40.180 50.045 7.429 0.00 0.00 -ATOM 4921 O1 H2O C1641 19.807 12.257 11.416 0.00 0.00 -ATOM 4922 H1 H2O C1641 19.264 13.071 11.620 0.00 0.00 -ATOM 4923 H2 H2O C1641 20.253 12.367 10.528 0.00 0.00 -ATOM 4924 O1 H2O C1642 1.303 3.641 47.409 0.00 0.00 -ATOM 4925 H1 H2O C1642 0.797 3.118 48.095 0.00 0.00 -ATOM 4926 H2 H2O C1642 2.216 3.249 47.298 0.00 0.00 -ATOM 4927 O1 H2O C1643 56.873 26.200 9.049 0.00 0.00 -ATOM 4928 H1 H2O C1643 56.928 26.888 8.326 0.00 0.00 -ATOM 4929 H2 H2O C1643 57.085 26.623 9.929 0.00 0.00 -ATOM 4930 O1 H2O C1644 44.336 21.368 55.287 0.00 0.00 -ATOM 4931 H1 H2O C1644 44.237 21.322 56.281 0.00 0.00 -ATOM 4932 H2 H2O C1644 44.687 20.496 54.946 0.00 0.00 -ATOM 4933 O1 H2O C1645 7.957 36.265 52.792 0.00 0.00 -ATOM 4934 H1 H2O C1645 8.526 37.014 53.134 0.00 0.00 -ATOM 4935 H2 H2O C1645 7.874 35.561 53.497 0.00 0.00 -ATOM 4936 O1 H2O C1646 23.970 18.243 17.007 0.00 0.00 -ATOM 4937 H1 H2O C1646 23.613 19.102 16.639 0.00 0.00 -ATOM 4938 H2 H2O C1646 24.040 17.569 16.272 0.00 0.00 -ATOM 4939 O1 H2O C1647 30.507 53.133 1.413 0.00 0.00 -ATOM 4940 H1 H2O C1647 31.114 52.811 0.686 0.00 0.00 -ATOM 4941 H2 H2O C1647 29.721 52.519 1.486 0.00 0.00 -ATOM 4942 O1 H2O C1648 11.165 53.211 27.376 0.00 0.00 -ATOM 4943 H1 H2O C1648 11.616 53.596 26.571 0.00 0.00 -ATOM 4944 H2 H2O C1648 10.235 52.932 27.135 0.00 0.00 -ATOM 4945 O1 H2O C1649 20.889 28.130 55.069 0.00 0.00 -ATOM 4946 H1 H2O C1649 21.333 27.940 54.193 0.00 0.00 -ATOM 4947 H2 H2O C1649 20.205 27.425 55.256 0.00 0.00 -ATOM 4948 O1 H2O C1650 14.955 9.222 20.395 0.00 0.00 -ATOM 4949 H1 H2O C1650 14.611 9.361 19.466 0.00 0.00 -ATOM 4950 H2 H2O C1650 15.677 8.530 20.383 0.00 0.00 -ATOM 4951 O1 H2O C1651 26.162 45.773 55.436 0.00 0.00 -ATOM 4952 H1 H2O C1651 26.966 46.333 55.237 0.00 0.00 -ATOM 4953 H2 H2O C1651 26.317 44.840 55.112 0.00 0.00 -ATOM 4954 O1 H2O C1652 28.302 10.461 -0.292 0.00 0.00 -ATOM 4955 H1 H2O C1652 27.645 9.817 0.102 0.00 0.00 -ATOM 4956 H2 H2O C1652 29.099 10.531 0.307 0.00 0.00 -ATOM 4957 O1 H2O C1653 24.636 3.773 36.183 0.00 0.00 -ATOM 4958 H1 H2O C1653 25.252 3.783 35.396 0.00 0.00 -ATOM 4959 H2 H2O C1653 23.886 3.134 36.012 0.00 0.00 -ATOM 4960 O1 H2O C1654 10.047 37.552 53.049 0.00 0.00 -ATOM 4961 H1 H2O C1654 9.272 37.656 52.426 0.00 0.00 -ATOM 4962 H2 H2O C1654 10.379 38.455 53.322 0.00 0.00 -ATOM 4963 O1 H2O C1655 30.480 56.626 45.265 0.00 0.00 -ATOM 4964 H1 H2O C1655 31.317 57.171 45.215 0.00 0.00 -ATOM 4965 H2 H2O C1655 30.018 56.803 46.134 0.00 0.00 -ATOM 4966 O1 H2O C1656 53.468 15.582 46.241 0.00 0.00 -ATOM 4967 H1 H2O C1656 52.831 14.850 45.998 0.00 0.00 -ATOM 4968 H2 H2O C1656 53.496 15.684 47.235 0.00 0.00 -ATOM 4969 O1 H2O C1657 49.755 3.109 4.333 0.00 0.00 -ATOM 4970 H1 H2O C1657 48.769 3.012 4.192 0.00 0.00 -ATOM 4971 H2 H2O C1657 50.231 2.967 3.466 0.00 0.00 -ATOM 4972 O1 H2O C1658 33.843 46.256 48.621 0.00 0.00 -ATOM 4973 H1 H2O C1658 33.783 46.040 49.596 0.00 0.00 -ATOM 4974 H2 H2O C1658 34.127 45.441 48.116 0.00 0.00 -ATOM 4975 O1 H2O C1659 36.276 57.242 11.682 0.00 0.00 -ATOM 4976 H1 H2O C1659 36.585 56.307 11.856 0.00 0.00 -ATOM 4977 H2 H2O C1659 36.110 57.362 10.704 0.00 0.00 -ATOM 4978 O1 H2O C1660 33.328 15.744 4.432 0.00 0.00 -ATOM 4979 H1 H2O C1660 33.631 15.554 5.366 0.00 0.00 -ATOM 4980 H2 H2O C1660 34.125 15.814 3.831 0.00 0.00 -ATOM 4981 O1 H2O C1661 15.318 35.993 0.603 0.00 0.00 -ATOM 4982 H1 H2O C1661 14.806 35.977 -0.256 0.00 0.00 -ATOM 4983 H2 H2O C1661 15.754 36.886 0.715 0.00 0.00 -ATOM 4984 O1 H2O C1662 31.179 37.922 5.949 0.00 0.00 -ATOM 4985 H1 H2O C1662 31.548 37.449 6.750 0.00 0.00 -ATOM 4986 H2 H2O C1662 31.082 38.896 6.153 0.00 0.00 -ATOM 4987 O1 H2O C1663 49.616 53.604 42.419 0.00 0.00 -ATOM 4988 H1 H2O C1663 49.306 53.142 41.588 0.00 0.00 -ATOM 4989 H2 H2O C1663 48.824 53.898 42.952 0.00 0.00 -ATOM 4990 O1 H2O C1664 59.030 38.237 2.392 0.00 0.00 -ATOM 4991 H1 H2O C1664 58.042 38.152 2.261 0.00 0.00 -ATOM 4992 H2 H2O C1664 59.326 37.608 3.111 0.00 0.00 -ATOM 4993 O1 H2O C1665 34.870 47.880 49.660 0.00 0.00 -ATOM 4994 H1 H2O C1665 34.520 47.684 48.744 0.00 0.00 -ATOM 4995 H2 H2O C1665 34.605 47.143 50.283 0.00 0.00 -ATOM 4996 O1 H2O C1666 21.357 45.170 14.404 0.00 0.00 -ATOM 4997 H1 H2O C1666 21.526 45.840 13.681 0.00 0.00 -ATOM 4998 H2 H2O C1666 22.173 44.607 14.534 0.00 0.00 -ATOM 4999 O1 H2O C1667 15.585 41.612 34.654 0.00 0.00 -ATOM 5000 H1 H2O C1667 16.533 41.828 34.886 0.00 0.00 -ATOM 5001 H2 H2O C1667 15.067 42.460 34.543 0.00 0.00 -ATOM 5002 O1 H2O C1668 2.679 19.854 21.668 0.00 0.00 -ATOM 5003 H1 H2O C1668 1.887 20.427 21.457 0.00 0.00 -ATOM 5004 H2 H2O C1668 2.388 19.071 22.218 0.00 0.00 -ATOM 5005 O1 H2O C1669 35.744 58.238 45.986 0.00 0.00 -ATOM 5006 H1 H2O C1669 36.455 58.938 46.056 0.00 0.00 -ATOM 5007 H2 H2O C1669 35.805 57.621 46.771 0.00 0.00 -ATOM 5008 O1 H2O C1670 32.172 45.161 1.038 0.00 0.00 -ATOM 5009 H1 H2O C1670 32.423 44.740 0.167 0.00 0.00 -ATOM 5010 H2 H2O C1670 32.124 44.457 1.747 0.00 0.00 -ATOM 5011 O1 H2O C1671 25.308 19.341 55.375 0.00 0.00 -ATOM 5012 H1 H2O C1671 24.905 18.587 54.856 0.00 0.00 -ATOM 5013 H2 H2O C1671 25.930 19.856 54.786 0.00 0.00 -ATOM 5014 O1 H2O C1672 39.300 12.341 37.272 0.00 0.00 -ATOM 5015 H1 H2O C1672 39.626 12.270 38.215 0.00 0.00 -ATOM 5016 H2 H2O C1672 39.844 11.743 36.685 0.00 0.00 -ATOM 5017 O1 H2O C1673 36.303 31.957 15.088 0.00 0.00 -ATOM 5018 H1 H2O C1673 35.596 31.758 14.409 0.00 0.00 -ATOM 5019 H2 H2O C1673 36.360 32.945 15.230 0.00 0.00 -ATOM 5020 O1 H2O C1674 31.134 47.504 30.235 0.00 0.00 -ATOM 5021 H1 H2O C1674 31.857 47.535 30.925 0.00 0.00 -ATOM 5022 H2 H2O C1674 30.310 47.100 30.633 0.00 0.00 -ATOM 5023 O1 H2O C1675 7.079 35.085 48.444 0.00 0.00 -ATOM 5024 H1 H2O C1675 8.075 35.073 48.526 0.00 0.00 -ATOM 5025 H2 H2O C1675 6.821 34.923 47.492 0.00 0.00 -ATOM 5026 O1 H2O C1676 19.511 19.720 17.010 0.00 0.00 -ATOM 5027 H1 H2O C1676 19.454 19.955 16.039 0.00 0.00 -ATOM 5028 H2 H2O C1676 19.464 20.555 17.558 0.00 0.00 -ATOM 5029 O1 H2O C1677 40.853 49.369 41.027 0.00 0.00 -ATOM 5030 H1 H2O C1677 40.456 50.275 40.878 0.00 0.00 -ATOM 5031 H2 H2O C1677 40.807 49.142 42.000 0.00 0.00 -ATOM 5032 O1 H2O C1678 25.364 2.245 20.360 0.00 0.00 -ATOM 5033 H1 H2O C1678 24.672 1.890 20.989 0.00 0.00 -ATOM 5034 H2 H2O C1678 25.585 3.188 20.606 0.00 0.00 -ATOM 5035 O1 H2O C1679 50.471 33.172 55.784 0.00 0.00 -ATOM 5036 H1 H2O C1679 50.520 32.336 55.238 0.00 0.00 -ATOM 5037 H2 H2O C1679 51.350 33.330 56.232 0.00 0.00 -ATOM 5038 O1 H2O C1680 8.988 8.451 43.333 0.00 0.00 -ATOM 5039 H1 H2O C1680 8.873 9.169 42.647 0.00 0.00 -ATOM 5040 H2 H2O C1680 8.591 7.598 42.993 0.00 0.00 -ATOM 5041 O1 H2O C1681 10.909 9.182 45.415 0.00 0.00 -ATOM 5042 H1 H2O C1681 11.017 10.165 45.565 0.00 0.00 -ATOM 5043 H2 H2O C1681 10.319 9.029 44.622 0.00 0.00 -ATOM 5044 O1 H2O C1682 20.626 24.840 49.694 0.00 0.00 -ATOM 5045 H1 H2O C1682 20.484 25.824 49.590 0.00 0.00 -ATOM 5046 H2 H2O C1682 20.117 24.353 48.984 0.00 0.00 -ATOM 5047 O1 H2O C1683 32.949 4.917 49.747 0.00 0.00 -ATOM 5048 H1 H2O C1683 32.426 4.919 48.894 0.00 0.00 -ATOM 5049 H2 H2O C1683 32.469 5.465 50.433 0.00 0.00 -ATOM 5050 O1 H2O C1684 32.006 24.945 51.814 0.00 0.00 -ATOM 5051 H1 H2O C1684 32.981 24.838 51.621 0.00 0.00 -ATOM 5052 H2 H2O C1684 31.592 24.044 51.947 0.00 0.00 -ATOM 5053 O1 H2O C1685 40.252 18.344 19.696 0.00 0.00 -ATOM 5054 H1 H2O C1685 39.422 17.828 19.486 0.00 0.00 -ATOM 5055 H2 H2O C1685 40.431 19.001 18.964 0.00 0.00 -ATOM 5056 O1 H2O C1686 55.949 9.712 25.701 0.00 0.00 -ATOM 5057 H1 H2O C1686 55.804 10.392 26.420 0.00 0.00 -ATOM 5058 H2 H2O C1686 55.164 9.094 25.663 0.00 0.00 -ATOM 5059 O1 H2O C1687 13.566 36.749 53.898 0.00 0.00 -ATOM 5060 H1 H2O C1687 14.244 36.357 53.275 0.00 0.00 -ATOM 5061 H2 H2O C1687 12.800 36.114 53.999 0.00 0.00 -ATOM 5062 O1 H2O C1688 14.286 40.189 13.992 0.00 0.00 -ATOM 5063 H1 H2O C1688 14.930 40.945 14.109 0.00 0.00 -ATOM 5064 H2 H2O C1688 14.570 39.418 14.562 0.00 0.00 -ATOM 5065 O1 H2O C1689 33.123 41.768 2.640 0.00 0.00 -ATOM 5066 H1 H2O C1689 32.645 41.020 3.101 0.00 0.00 -ATOM 5067 H2 H2O C1689 33.217 42.541 3.267 0.00 0.00 -ATOM 5068 O1 H2O C1690 42.136 32.637 50.208 0.00 0.00 -ATOM 5069 H1 H2O C1690 43.049 32.450 49.845 0.00 0.00 -ATOM 5070 H2 H2O C1690 41.970 32.058 51.006 0.00 0.00 -ATOM 5071 O1 H2O C1691 13.890 20.658 57.723 0.00 0.00 -ATOM 5072 H1 H2O C1691 13.913 21.444 58.341 0.00 0.00 -ATOM 5073 H2 H2O C1691 14.772 20.574 57.259 0.00 0.00 -ATOM 5074 O1 H2O C1692 21.187 30.791 1.018 0.00 0.00 -ATOM 5075 H1 H2O C1692 21.206 31.664 1.505 0.00 0.00 -ATOM 5076 H2 H2O C1692 22.090 30.364 1.062 0.00 0.00 -ATOM 5077 O1 H2O C1693 19.907 23.945 0.398 0.00 0.00 -ATOM 5078 H1 H2O C1693 19.935 24.944 0.368 0.00 0.00 -ATOM 5079 H2 H2O C1693 19.748 23.644 1.338 0.00 0.00 -ATOM 5080 O1 H2O C1694 35.479 13.590 49.304 0.00 0.00 -ATOM 5081 H1 H2O C1694 36.050 12.791 49.490 0.00 0.00 -ATOM 5082 H2 H2O C1694 35.392 13.715 48.316 0.00 0.00 -ATOM 5083 O1 H2O C1695 4.971 32.708 33.940 0.00 0.00 -ATOM 5084 H1 H2O C1695 5.110 33.329 33.169 0.00 0.00 -ATOM 5085 H2 H2O C1695 5.760 32.100 34.025 0.00 0.00 -ATOM 5086 O1 H2O C1696 58.397 26.842 18.897 0.00 0.00 -ATOM 5087 H1 H2O C1696 59.041 26.079 18.954 0.00 0.00 -ATOM 5088 H2 H2O C1696 57.489 26.494 18.662 0.00 0.00 -ATOM 5089 O1 H2O C1697 43.935 22.729 36.034 0.00 0.00 -ATOM 5090 H1 H2O C1697 43.170 22.928 36.647 0.00 0.00 -ATOM 5091 H2 H2O C1697 44.494 21.998 36.424 0.00 0.00 -ATOM 5092 O1 H2O C1698 34.899 24.898 1.221 0.00 0.00 -ATOM 5093 H1 H2O C1698 35.227 24.223 1.881 0.00 0.00 -ATOM 5094 H2 H2O C1698 35.232 24.662 0.308 0.00 0.00 -ATOM 5095 O1 H2O C1699 34.675 43.286 58.520 0.00 0.00 -ATOM 5096 H1 H2O C1699 33.738 43.549 58.294 0.00 0.00 -ATOM 5097 H2 H2O C1699 34.967 42.542 57.919 0.00 0.00 -ATOM 5098 O1 H2O C1700 42.938 31.930 9.540 0.00 0.00 -ATOM 5099 H1 H2O C1700 42.221 31.813 10.228 0.00 0.00 -ATOM 5100 H2 H2O C1700 42.529 31.918 8.628 0.00 0.00 -ATOM 5101 O1 H2O C1701 5.521 55.258 34.461 0.00 0.00 -ATOM 5102 H1 H2O C1701 4.604 55.656 34.459 0.00 0.00 -ATOM 5103 H2 H2O C1701 5.690 54.807 33.584 0.00 0.00 -ATOM 5104 O1 H2O C1702 39.005 38.025 25.769 0.00 0.00 -ATOM 5105 H1 H2O C1702 38.148 38.359 25.379 0.00 0.00 -ATOM 5106 H2 H2O C1702 39.202 38.521 26.616 0.00 0.00 -ATOM 5107 O1 H2O C1703 40.986 29.362 30.501 0.00 0.00 -ATOM 5108 H1 H2O C1703 40.698 29.570 31.436 0.00 0.00 -ATOM 5109 H2 H2O C1703 40.195 29.064 29.967 0.00 0.00 -ATOM 5110 O1 H2O C1704 50.814 -0.130 38.361 0.00 0.00 -ATOM 5111 H1 H2O C1704 51.552 -0.104 39.034 0.00 0.00 -ATOM 5112 H2 H2O C1704 50.589 0.802 38.076 0.00 0.00 -ATOM 5113 O1 H2O C1705 39.253 17.299 32.280 0.00 0.00 -ATOM 5114 H1 H2O C1705 40.012 16.953 32.833 0.00 0.00 -ATOM 5115 H2 H2O C1705 39.428 18.252 32.034 0.00 0.00 -ATOM 5116 O1 H2O C1706 4.147 54.357 4.188 0.00 0.00 -ATOM 5117 H1 H2O C1706 5.082 54.025 4.313 0.00 0.00 -ATOM 5118 H2 H2O C1706 3.503 53.684 4.553 0.00 0.00 -ATOM 5119 O1 H2O C1707 24.274 0.573 50.602 0.00 0.00 -ATOM 5120 H1 H2O C1707 23.515 0.329 49.998 0.00 0.00 -ATOM 5121 H2 H2O C1707 25.137 0.283 50.188 0.00 0.00 -ATOM 5122 O1 H2O C1708 55.803 14.152 13.118 0.00 0.00 -ATOM 5123 H1 H2O C1708 55.250 13.777 12.374 0.00 0.00 -ATOM 5124 H2 H2O C1708 56.050 15.097 12.906 0.00 0.00 -ATOM 5125 O1 H2O C1709 22.588 20.908 52.165 0.00 0.00 -ATOM 5126 H1 H2O C1709 21.608 20.829 51.986 0.00 0.00 -ATOM 5127 H2 H2O C1709 23.011 21.476 51.460 0.00 0.00 -ATOM 5128 O1 H2O C1710 19.474 4.618 22.838 0.00 0.00 -ATOM 5129 H1 H2O C1710 18.539 4.946 22.976 0.00 0.00 -ATOM 5130 H2 H2O C1710 20.121 5.328 23.117 0.00 0.00 -ATOM 5131 O1 H2O C1711 23.393 16.912 49.842 0.00 0.00 -ATOM 5132 H1 H2O C1711 23.955 16.308 49.276 0.00 0.00 -ATOM 5133 H2 H2O C1711 23.943 17.267 50.598 0.00 0.00 -ATOM 5134 O1 H2O C1712 9.640 28.263 15.263 0.00 0.00 -ATOM 5135 H1 H2O C1712 10.296 28.919 15.637 0.00 0.00 -ATOM 5136 H2 H2O C1712 9.455 27.553 15.942 0.00 0.00 -ATOM 5137 O1 H2O C1713 0.670 11.537 45.376 0.00 0.00 -ATOM 5138 H1 H2O C1713 -0.203 11.574 45.861 0.00 0.00 -ATOM 5139 H2 H2O C1713 0.772 10.642 44.941 0.00 0.00 -ATOM 5140 O1 H2O C1714 51.165 46.186 0.608 0.00 0.00 -ATOM 5141 H1 H2O C1714 51.572 46.840 1.246 0.00 0.00 -ATOM 5142 H2 H2O C1714 50.842 46.671 -0.205 0.00 0.00 -ATOM 5143 O1 H2O C1715 47.873 44.142 11.952 0.00 0.00 -ATOM 5144 H1 H2O C1715 47.890 43.951 12.934 0.00 0.00 -ATOM 5145 H2 H2O C1715 48.212 45.068 11.788 0.00 0.00 -ATOM 5146 O1 H2O C1716 52.677 57.210 44.228 0.00 0.00 -ATOM 5147 H1 H2O C1716 51.682 57.301 44.202 0.00 0.00 -ATOM 5148 H2 H2O C1716 52.932 56.270 43.999 0.00 0.00 -ATOM 5149 O1 H2O C1717 53.728 40.907 8.871 0.00 0.00 -ATOM 5150 H1 H2O C1717 53.610 40.303 8.082 0.00 0.00 -ATOM 5151 H2 H2O C1717 52.864 41.373 9.066 0.00 0.00 -ATOM 5152 O1 H2O C1718 42.962 42.023 51.751 0.00 0.00 -ATOM 5153 H1 H2O C1718 42.302 41.514 51.199 0.00 0.00 -ATOM 5154 H2 H2O C1718 42.497 42.777 52.215 0.00 0.00 -ATOM 5155 O1 H2O C1719 32.282 8.605 47.819 0.00 0.00 -ATOM 5156 H1 H2O C1719 32.122 9.026 46.926 0.00 0.00 -ATOM 5157 H2 H2O C1719 32.047 9.255 48.541 0.00 0.00 -ATOM 5158 O1 H2O C1720 24.884 16.807 18.131 0.00 0.00 -ATOM 5159 H1 H2O C1720 24.646 17.589 18.707 0.00 0.00 -ATOM 5160 H2 H2O C1720 24.625 16.999 17.185 0.00 0.00 -ATOM 5161 O1 H2O C1721 4.279 0.778 23.677 0.00 0.00 -ATOM 5162 H1 H2O C1721 4.347 0.015 24.320 0.00 0.00 -ATOM 5163 H2 H2O C1721 4.810 0.569 22.855 0.00 0.00 -ATOM 5164 O1 H2O C1722 12.268 34.770 9.714 0.00 0.00 -ATOM 5165 H1 H2O C1722 12.400 35.324 10.536 0.00 0.00 -ATOM 5166 H2 H2O C1722 11.318 34.462 9.668 0.00 0.00 -ATOM 5167 O1 H2O C1723 4.493 28.580 51.406 0.00 0.00 -ATOM 5168 H1 H2O C1723 4.516 27.583 51.484 0.00 0.00 -ATOM 5169 H2 H2O C1723 4.579 28.841 50.445 0.00 0.00 -ATOM 5170 O1 H2O C1724 19.300 32.224 50.903 0.00 0.00 -ATOM 5171 H1 H2O C1724 18.440 32.731 50.958 0.00 0.00 -ATOM 5172 H2 H2O C1724 19.576 32.140 49.946 0.00 0.00 -ATOM 5173 O1 H2O C1725 11.031 55.240 56.057 0.00 0.00 -ATOM 5174 H1 H2O C1725 11.023 54.294 55.733 0.00 0.00 -ATOM 5175 H2 H2O C1725 11.539 55.809 55.411 0.00 0.00 -ATOM 5176 O1 H2O C1726 59.323 4.180 29.790 0.00 0.00 -ATOM 5177 H1 H2O C1726 59.297 4.147 28.791 0.00 0.00 -ATOM 5178 H2 H2O C1726 59.280 3.250 30.156 0.00 0.00 -ATOM 5179 O1 H2O C1727 42.486 40.512 16.167 0.00 0.00 -ATOM 5180 H1 H2O C1727 41.810 40.209 15.495 0.00 0.00 -ATOM 5181 H2 H2O C1727 42.593 39.810 16.871 0.00 0.00 -ATOM 5182 O1 H2O C1728 26.023 35.204 56.858 0.00 0.00 -ATOM 5183 H1 H2O C1728 26.538 34.768 56.121 0.00 0.00 -ATOM 5184 H2 H2O C1728 25.054 34.974 56.770 0.00 0.00 -ATOM 5185 O1 H2O C1729 26.816 59.795 51.755 0.00 0.00 -ATOM 5186 H1 H2O C1729 26.379 58.978 52.131 0.00 0.00 -ATOM 5187 H2 H2O C1729 26.464 59.968 50.835 0.00 0.00 -ATOM 5188 O1 H2O C1730 36.238 25.689 25.272 0.00 0.00 -ATOM 5189 H1 H2O C1730 35.773 25.632 24.389 0.00 0.00 -ATOM 5190 H2 H2O C1730 35.876 24.987 25.885 0.00 0.00 -ATOM 5191 O1 H2O C1731 19.708 41.354 52.001 0.00 0.00 -ATOM 5192 H1 H2O C1731 20.567 41.282 51.495 0.00 0.00 -ATOM 5193 H2 H2O C1731 19.885 41.741 52.906 0.00 0.00 -ATOM 5194 O1 H2O C1732 45.420 41.822 16.582 0.00 0.00 -ATOM 5195 H1 H2O C1732 45.959 42.462 16.034 0.00 0.00 -ATOM 5196 H2 H2O C1732 44.643 42.304 16.989 0.00 0.00 -ATOM 5197 O1 H2O C1733 7.980 47.176 44.227 0.00 0.00 -ATOM 5198 H1 H2O C1733 8.339 48.086 44.021 0.00 0.00 -ATOM 5199 H2 H2O C1733 8.276 46.533 43.521 0.00 0.00 -ATOM 5200 O1 H2O C1734 20.929 12.393 55.532 0.00 0.00 -ATOM 5201 H1 H2O C1734 20.562 11.944 56.347 0.00 0.00 -ATOM 5202 H2 H2O C1734 20.805 11.797 54.739 0.00 0.00 -ATOM 5203 O1 H2O C1735 34.174 22.144 13.210 0.00 0.00 -ATOM 5204 H1 H2O C1735 34.642 22.249 14.087 0.00 0.00 -ATOM 5205 H2 H2O C1735 33.582 22.934 13.051 0.00 0.00 -ATOM 5206 O1 H2O C1736 22.708 33.348 54.446 0.00 0.00 -ATOM 5207 H1 H2O C1736 22.389 33.808 55.274 0.00 0.00 -ATOM 5208 H2 H2O C1736 21.923 33.000 53.934 0.00 0.00 -ATOM 5209 O1 H2O C1737 55.090 25.724 9.899 0.00 0.00 -ATOM 5210 H1 H2O C1737 55.978 25.293 10.061 0.00 0.00 -ATOM 5211 H2 H2O C1737 54.629 25.877 10.773 0.00 0.00 -ATOM 5212 O1 H2O C1738 34.281 39.094 3.185 0.00 0.00 -ATOM 5213 H1 H2O C1738 34.115 38.364 2.521 0.00 0.00 -ATOM 5214 H2 H2O C1738 35.159 38.937 3.639 0.00 0.00 -ATOM 5215 O1 H2O C1739 26.984 5.239 59.946 0.00 0.00 -ATOM 5216 H1 H2O C1739 27.695 4.862 60.539 0.00 0.00 -ATOM 5217 H2 H2O C1739 27.250 5.121 58.989 0.00 0.00 -ATOM 5218 O1 H2O C1740 3.989 20.997 1.297 0.00 0.00 -ATOM 5219 H1 H2O C1740 4.413 20.233 1.785 0.00 0.00 -ATOM 5220 H2 H2O C1740 4.509 21.833 1.472 0.00 0.00 -ATOM 5221 O1 H2O C1741 12.204 50.249 1.330 0.00 0.00 -ATOM 5222 H1 H2O C1741 13.083 50.670 1.555 0.00 0.00 -ATOM 5223 H2 H2O C1741 11.538 50.963 1.115 0.00 0.00 -ATOM 5224 O1 H2O C1742 30.305 10.304 9.654 0.00 0.00 -ATOM 5225 H1 H2O C1742 30.983 10.665 10.295 0.00 0.00 -ATOM 5226 H2 H2O C1742 30.667 9.481 9.216 0.00 0.00 -ATOM 5227 O1 H2O C1743 45.230 3.082 34.872 0.00 0.00 -ATOM 5228 H1 H2O C1743 44.770 2.390 34.316 0.00 0.00 -ATOM 5229 H2 H2O C1743 44.832 3.980 34.683 0.00 0.00 -ATOM 5230 O1 H2O C1744 52.787 3.993 49.278 0.00 0.00 -ATOM 5231 H1 H2O C1744 52.447 3.053 49.254 0.00 0.00 -ATOM 5232 H2 H2O C1744 52.021 4.621 49.413 0.00 0.00 -ATOM 5233 O1 H2O C1745 34.398 40.777 39.021 0.00 0.00 -ATOM 5234 H1 H2O C1745 35.393 40.773 38.919 0.00 0.00 -ATOM 5235 H2 H2O C1745 34.018 39.946 38.613 0.00 0.00 -ATOM 5236 O1 H2O C1746 35.885 46.253 12.465 0.00 0.00 -ATOM 5237 H1 H2O C1746 35.139 46.666 12.988 0.00 0.00 -ATOM 5238 H2 H2O C1746 36.746 46.703 12.701 0.00 0.00 -ATOM 5239 O1 H2O C1747 48.001 40.160 28.038 0.00 0.00 -ATOM 5240 H1 H2O C1747 48.183 40.904 28.681 0.00 0.00 -ATOM 5241 H2 H2O C1747 47.937 39.296 28.538 0.00 0.00 -ATOM 5242 O1 H2O C1748 51.986 17.355 43.464 0.00 0.00 -ATOM 5243 H1 H2O C1748 52.008 18.339 43.642 0.00 0.00 -ATOM 5244 H2 H2O C1748 52.119 16.857 44.321 0.00 0.00 -ATOM 5245 O1 H2O C1749 52.803 40.827 8.803 0.00 0.00 -ATOM 5246 H1 H2O C1749 52.120 41.011 8.095 0.00 0.00 -ATOM 5247 H2 H2O C1749 53.578 40.341 8.400 0.00 0.00 -ATOM 5248 O1 H2O C1750 18.704 14.100 19.503 0.00 0.00 -ATOM 5249 H1 H2O C1750 19.309 14.017 18.711 0.00 0.00 -ATOM 5250 H2 H2O C1750 19.251 14.111 20.340 0.00 0.00 -ATOM 5251 O1 H2O C1751 38.016 13.368 33.941 0.00 0.00 -ATOM 5252 H1 H2O C1751 38.573 13.515 33.123 0.00 0.00 -ATOM 5253 H2 H2O C1751 37.056 13.547 33.727 0.00 0.00 -ATOM 5254 O1 H2O C1752 9.409 49.501 34.851 0.00 0.00 -ATOM 5255 H1 H2O C1752 10.203 49.683 34.271 0.00 0.00 -ATOM 5256 H2 H2O C1752 9.245 50.286 35.448 0.00 0.00 -ATOM 5257 O1 H2O C1753 8.812 23.410 47.456 0.00 0.00 -ATOM 5258 H1 H2O C1753 8.954 22.435 47.282 0.00 0.00 -ATOM 5259 H2 H2O C1753 9.076 23.935 46.647 0.00 0.00 -ATOM 5260 O1 H2O C1754 13.050 27.637 14.544 0.00 0.00 -ATOM 5261 H1 H2O C1754 12.900 26.650 14.596 0.00 0.00 -ATOM 5262 H2 H2O C1754 13.073 27.920 13.585 0.00 0.00 -ATOM 5263 O1 H2O C1755 7.357 30.453 48.327 0.00 0.00 -ATOM 5264 H1 H2O C1755 6.767 29.646 48.342 0.00 0.00 -ATOM 5265 H2 H2O C1755 6.954 31.150 47.733 0.00 0.00 -ATOM 5266 O1 H2O C1756 27.183 3.238 47.833 0.00 0.00 -ATOM 5267 H1 H2O C1756 27.635 3.937 48.386 0.00 0.00 -ATOM 5268 H2 H2O C1756 27.142 2.381 48.346 0.00 0.00 -ATOM 5269 O1 H2O C1757 55.005 5.841 44.096 0.00 0.00 -ATOM 5270 H1 H2O C1757 55.714 5.631 43.423 0.00 0.00 -ATOM 5271 H2 H2O C1757 54.964 6.830 44.240 0.00 0.00 -ATOM 5272 O1 H2O C1758 23.613 34.995 39.669 0.00 0.00 -ATOM 5273 H1 H2O C1758 24.143 35.374 38.911 0.00 0.00 -ATOM 5274 H2 H2O C1758 23.080 34.213 39.346 0.00 0.00 -ATOM 5275 O1 H2O C1759 37.228 25.550 40.786 0.00 0.00 -ATOM 5276 H1 H2O C1759 38.169 25.313 41.028 0.00 0.00 -ATOM 5277 H2 H2O C1759 36.614 25.275 41.526 0.00 0.00 -ATOM 5278 O1 H2O C1760 17.570 37.673 6.911 0.00 0.00 -ATOM 5279 H1 H2O C1760 17.827 36.745 7.181 0.00 0.00 -ATOM 5280 H2 H2O C1760 17.926 38.326 7.580 0.00 0.00 -ATOM 5281 O1 H2O C1761 19.425 57.223 56.526 0.00 0.00 -ATOM 5282 H1 H2O C1761 19.329 56.680 55.692 0.00 0.00 -ATOM 5283 H2 H2O C1761 19.965 56.713 57.196 0.00 0.00 -ATOM 5284 O1 H2O C1762 23.409 45.284 54.808 0.00 0.00 -ATOM 5285 H1 H2O C1762 22.949 45.065 55.669 0.00 0.00 -ATOM 5286 H2 H2O C1762 24.393 45.369 54.967 0.00 0.00 -ATOM 5287 O1 H2O C1763 42.328 48.417 6.775 0.00 0.00 -ATOM 5288 H1 H2O C1763 42.169 48.474 5.790 0.00 0.00 -ATOM 5289 H2 H2O C1763 41.495 48.103 7.230 0.00 0.00 -ATOM 5290 O1 H2O C1764 59.270 49.032 25.300 0.00 0.00 -ATOM 5291 H1 H2O C1764 58.577 48.726 24.648 0.00 0.00 -ATOM 5292 H2 H2O C1764 60.059 48.419 25.261 0.00 0.00 -ATOM 5293 O1 H2O C1765 16.961 8.612 43.724 0.00 0.00 -ATOM 5294 H1 H2O C1765 16.975 7.878 43.045 0.00 0.00 -ATOM 5295 H2 H2O C1765 16.241 8.433 44.394 0.00 0.00 -ATOM 5296 O1 H2O C1766 38.327 41.104 39.049 0.00 0.00 -ATOM 5297 H1 H2O C1766 37.784 41.839 39.456 0.00 0.00 -ATOM 5298 H2 H2O C1766 39.242 41.446 38.835 0.00 0.00 -ATOM 5299 O1 H2O C1767 51.387 15.709 44.460 0.00 0.00 -ATOM 5300 H1 H2O C1767 50.456 16.055 44.338 0.00 0.00 -ATOM 5301 H2 H2O C1767 51.423 15.129 45.274 0.00 0.00 -ATOM 5302 O1 H2O C1768 48.788 7.133 5.128 0.00 0.00 -ATOM 5303 H1 H2O C1768 47.878 6.914 4.777 0.00 0.00 -ATOM 5304 H2 H2O C1768 49.232 7.788 4.516 0.00 0.00 -ATOM 5305 O1 H2O C1769 4.246 10.664 20.202 0.00 0.00 -ATOM 5306 H1 H2O C1769 4.381 11.350 20.917 0.00 0.00 -ATOM 5307 H2 H2O C1769 3.309 10.719 19.858 0.00 0.00 -ATOM 5308 O1 H2O C1770 44.583 52.722 32.588 0.00 0.00 -ATOM 5309 H1 H2O C1770 45.513 52.360 32.654 0.00 0.00 -ATOM 5310 H2 H2O C1770 43.928 52.004 32.825 0.00 0.00 -ATOM 5311 O1 H2O C1771 13.990 57.987 35.040 0.00 0.00 -ATOM 5312 H1 H2O C1771 13.197 58.520 34.744 0.00 0.00 -ATOM 5313 H2 H2O C1771 13.977 57.093 34.593 0.00 0.00 -ATOM 5314 O1 H2O C1772 13.554 59.754 5.133 0.00 0.00 -ATOM 5315 H1 H2O C1772 14.435 59.436 4.782 0.00 0.00 -ATOM 5316 H2 H2O C1772 13.363 59.308 6.007 0.00 0.00 -ATOM 5317 O1 H2O C1773 17.087 46.955 12.988 0.00 0.00 -ATOM 5318 H1 H2O C1773 17.150 45.957 13.014 0.00 0.00 -ATOM 5319 H2 H2O C1773 17.498 47.292 12.141 0.00 0.00 -ATOM 5320 O1 H2O C1774 37.176 26.640 30.198 0.00 0.00 -ATOM 5321 H1 H2O C1774 37.081 25.879 30.839 0.00 0.00 -ATOM 5322 H2 H2O C1774 36.412 26.631 29.553 0.00 0.00 -ATOM 5323 O1 H2O C1775 13.905 27.317 44.245 0.00 0.00 -ATOM 5324 H1 H2O C1775 13.920 26.767 45.080 0.00 0.00 -ATOM 5325 H2 H2O C1775 12.965 27.594 44.045 0.00 0.00 -ATOM 5326 O1 H2O C1776 41.695 46.051 55.932 0.00 0.00 -ATOM 5327 H1 H2O C1776 42.131 45.500 55.221 0.00 0.00 -ATOM 5328 H2 H2O C1776 40.703 45.939 55.879 0.00 0.00 -ATOM 5329 O1 H2O C1777 9.739 51.935 5.980 0.00 0.00 -ATOM 5330 H1 H2O C1777 9.734 51.507 6.884 0.00 0.00 -ATOM 5331 H2 H2O C1777 10.358 52.720 5.986 0.00 0.00 -ATOM 5332 O1 H2O C1778 59.605 19.838 41.057 0.00 0.00 -ATOM 5333 H1 H2O C1778 59.248 20.644 41.529 0.00 0.00 -ATOM 5334 H2 H2O C1778 60.564 19.703 41.306 0.00 0.00 -ATOM 5335 O1 H2O C1779 39.037 40.380 54.499 0.00 0.00 -ATOM 5336 H1 H2O C1779 38.869 39.464 54.862 0.00 0.00 -ATOM 5337 H2 H2O C1779 39.335 40.311 53.547 0.00 0.00 -ATOM 5338 O1 H2O C1780 55.864 43.305 37.325 0.00 0.00 -ATOM 5339 H1 H2O C1780 54.938 43.401 36.960 0.00 0.00 -ATOM 5340 H2 H2O C1780 56.026 42.350 37.575 0.00 0.00 -ATOM 5341 O1 H2O C1781 24.671 3.278 26.463 0.00 0.00 -ATOM 5342 H1 H2O C1781 24.443 4.226 26.238 0.00 0.00 -ATOM 5343 H2 H2O C1781 23.839 2.723 26.449 0.00 0.00 -ATOM 5344 O1 H2O C1782 6.205 45.021 0.851 0.00 0.00 -ATOM 5345 H1 H2O C1782 6.961 45.249 1.464 0.00 0.00 -ATOM 5346 H2 H2O C1782 6.396 45.382 -0.062 0.00 0.00 -ATOM 5347 O1 H2O C1783 37.296 21.211 4.169 0.00 0.00 -ATOM 5348 H1 H2O C1783 37.245 21.601 5.089 0.00 0.00 -ATOM 5349 H2 H2O C1783 37.621 20.267 4.226 0.00 0.00 -ATOM 5350 O1 H2O C1784 21.952 5.010 29.660 0.00 0.00 -ATOM 5351 H1 H2O C1784 21.176 4.469 29.985 0.00 0.00 -ATOM 5352 H2 H2O C1784 21.646 5.938 29.446 0.00 0.00 -ATOM 5353 O1 H2O C1785 44.924 55.882 17.948 0.00 0.00 -ATOM 5354 H1 H2O C1785 44.569 54.973 18.166 0.00 0.00 -ATOM 5355 H2 H2O C1785 45.664 56.111 18.580 0.00 0.00 -ATOM 5356 O1 H2O C1786 31.181 43.614 58.587 0.00 0.00 -ATOM 5357 H1 H2O C1786 32.059 43.389 58.164 0.00 0.00 -ATOM 5358 H2 H2O C1786 30.809 42.801 59.035 0.00 0.00 -ATOM 5359 O1 H2O C1787 6.845 30.272 36.830 0.00 0.00 -ATOM 5360 H1 H2O C1787 7.643 30.872 36.879 0.00 0.00 -ATOM 5361 H2 H2O C1787 7.031 29.427 37.332 0.00 0.00 -ATOM 5362 O1 H2O C1788 14.925 1.649 44.347 0.00 0.00 -ATOM 5363 H1 H2O C1788 14.844 2.345 45.061 0.00 0.00 -ATOM 5364 H2 H2O C1788 14.021 1.270 44.148 0.00 0.00 -ATOM 5365 O1 H2O C1789 5.359 24.676 5.198 0.00 0.00 -ATOM 5366 H1 H2O C1789 6.279 24.351 4.983 0.00 0.00 -ATOM 5367 H2 H2O C1789 4.855 23.958 5.679 0.00 0.00 -ATOM 5368 O1 H2O C1790 20.999 7.951 44.662 0.00 0.00 -ATOM 5369 H1 H2O C1790 20.915 7.369 45.471 0.00 0.00 -ATOM 5370 H2 H2O C1790 20.378 7.623 43.950 0.00 0.00 -ATOM 5371 O1 H2O C1791 46.191 37.347 57.811 0.00 0.00 -ATOM 5372 H1 H2O C1791 46.095 38.321 58.021 0.00 0.00 -ATOM 5373 H2 H2O C1791 47.154 37.135 57.646 0.00 0.00 -ATOM 5374 O1 H2O C1792 42.582 3.797 42.366 0.00 0.00 -ATOM 5375 H1 H2O C1792 42.130 4.031 43.227 0.00 0.00 -ATOM 5376 H2 H2O C1792 43.386 4.379 42.244 0.00 0.00 -ATOM 5377 O1 H2O C1793 5.569 38.903 9.693 0.00 0.00 -ATOM 5378 H1 H2O C1793 5.884 39.750 9.264 0.00 0.00 -ATOM 5379 H2 H2O C1793 4.808 38.526 9.165 0.00 0.00 -ATOM 5380 O1 H2O C1794 4.216 39.575 24.993 0.00 0.00 -ATOM 5381 H1 H2O C1794 3.906 40.459 25.342 0.00 0.00 -ATOM 5382 H2 H2O C1794 5.175 39.643 24.717 0.00 0.00 -ATOM 5383 O1 H2O C1795 39.246 11.313 52.337 0.00 0.00 -ATOM 5384 H1 H2O C1795 40.119 10.938 52.023 0.00 0.00 -ATOM 5385 H2 H2O C1795 38.681 11.547 51.546 0.00 0.00 -ATOM 5386 O1 H2O C1796 21.553 39.425 11.672 0.00 0.00 -ATOM 5387 H1 H2O C1796 21.836 39.147 12.590 0.00 0.00 -ATOM 5388 H2 H2O C1796 22.015 40.277 11.424 0.00 0.00 -ATOM 5389 O1 H2O C1797 46.848 4.410 18.093 0.00 0.00 -ATOM 5390 H1 H2O C1797 46.879 5.334 18.473 0.00 0.00 -ATOM 5391 H2 H2O C1797 47.780 4.085 17.931 0.00 0.00 -ATOM 5392 O1 H2O C1798 24.479 10.560 6.343 0.00 0.00 -ATOM 5393 H1 H2O C1798 24.522 10.300 7.307 0.00 0.00 -ATOM 5394 H2 H2O C1798 25.380 10.871 6.040 0.00 0.00 -ATOM 5395 O1 H2O C1799 21.768 36.252 53.350 0.00 0.00 -ATOM 5396 H1 H2O C1799 22.053 36.970 52.715 0.00 0.00 -ATOM 5397 H2 H2O C1799 22.524 35.614 53.494 0.00 0.00 -ATOM 5398 O1 H2O C1800 22.208 9.384 53.599 0.00 0.00 -ATOM 5399 H1 H2O C1800 21.300 9.453 53.186 0.00 0.00 -ATOM 5400 H2 H2O C1800 22.116 9.281 54.590 0.00 0.00 -ATOM 5401 O1 H2O C1801 31.727 43.615 57.556 0.00 0.00 -ATOM 5402 H1 H2O C1801 32.116 44.385 57.050 0.00 0.00 -ATOM 5403 H2 H2O C1801 32.025 42.757 57.138 0.00 0.00 -ATOM 5404 O1 H2O C1802 58.572 41.745 17.918 0.00 0.00 -ATOM 5405 H1 H2O C1802 58.838 41.040 17.261 0.00 0.00 -ATOM 5406 H2 H2O C1802 59.370 42.022 18.452 0.00 0.00 -ATOM 5407 O1 H2O C1803 46.417 22.253 40.765 0.00 0.00 -ATOM 5408 H1 H2O C1803 47.280 22.405 40.284 0.00 0.00 -ATOM 5409 H2 H2O C1803 46.209 23.047 41.337 0.00 0.00 -ATOM 5410 O1 H2O C1804 56.338 16.558 41.942 0.00 0.00 -ATOM 5411 H1 H2O C1804 57.095 17.138 41.641 0.00 0.00 -ATOM 5412 H2 H2O C1804 56.006 16.016 41.169 0.00 0.00 -ATOM 5413 O1 H2O C1805 12.752 10.316 56.434 0.00 0.00 -ATOM 5414 H1 H2O C1805 12.632 9.782 55.597 0.00 0.00 -ATOM 5415 H2 H2O C1805 11.864 10.652 56.746 0.00 0.00 -ATOM 5416 O1 H2O C1806 27.467 26.735 11.396 0.00 0.00 -ATOM 5417 H1 H2O C1806 28.170 26.311 11.967 0.00 0.00 -ATOM 5418 H2 H2O C1806 26.878 26.025 11.011 0.00 0.00 -ATOM 5419 O1 H2O C1807 50.016 10.784 59.416 0.00 0.00 -ATOM 5420 H1 H2O C1807 49.556 10.183 60.070 0.00 0.00 -ATOM 5421 H2 H2O C1807 50.392 10.236 58.668 0.00 0.00 -ATOM 5422 O1 H2O C1808 50.703 7.375 2.104 0.00 0.00 -ATOM 5423 H1 H2O C1808 49.968 7.802 2.630 0.00 0.00 -ATOM 5424 H2 H2O C1808 50.331 6.622 1.561 0.00 0.00 -ATOM 5425 O1 H2O C1809 24.972 6.252 12.586 0.00 0.00 -ATOM 5426 H1 H2O C1809 24.736 6.795 11.780 0.00 0.00 -ATOM 5427 H2 H2O C1809 25.948 6.034 12.567 0.00 0.00 -ATOM 5428 O1 H2O C1810 52.186 35.717 46.269 0.00 0.00 -ATOM 5429 H1 H2O C1810 51.603 36.219 45.631 0.00 0.00 -ATOM 5430 H2 H2O C1810 52.750 35.065 45.763 0.00 0.00 -ATOM 5431 O1 H2O C1811 30.554 45.394 45.290 0.00 0.00 -ATOM 5432 H1 H2O C1811 31.026 45.358 44.409 0.00 0.00 -ATOM 5433 H2 H2O C1811 29.566 45.336 45.141 0.00 0.00 -ATOM 5434 O1 H2O C1812 31.300 31.317 46.186 0.00 0.00 -ATOM 5435 H1 H2O C1812 30.787 31.231 45.332 0.00 0.00 -ATOM 5436 H2 H2O C1812 30.699 31.112 46.958 0.00 0.00 -ATOM 5437 O1 H2O C1813 27.342 57.656 7.420 0.00 0.00 -ATOM 5438 H1 H2O C1813 27.928 57.050 7.959 0.00 0.00 -ATOM 5439 H2 H2O C1813 27.526 57.517 6.447 0.00 0.00 -ATOM 5440 O1 H2O C1814 43.853 57.339 51.621 0.00 0.00 -ATOM 5441 H1 H2O C1814 43.508 56.421 51.425 0.00 0.00 -ATOM 5442 H2 H2O C1814 44.742 57.272 52.073 0.00 0.00 -ATOM 5443 O1 H2O C1815 50.544 50.642 37.549 0.00 0.00 -ATOM 5444 H1 H2O C1815 49.904 50.900 36.825 0.00 0.00 -ATOM 5445 H2 H2O C1815 50.041 50.496 38.401 0.00 0.00 -ATOM 5446 O1 H2O C1816 23.527 46.386 3.899 0.00 0.00 -ATOM 5447 H1 H2O C1816 24.393 46.815 3.643 0.00 0.00 -ATOM 5448 H2 H2O C1816 23.388 45.561 3.352 0.00 0.00 -ATOM 5449 O1 H2O C1817 4.495 6.228 6.350 0.00 0.00 -ATOM 5450 H1 H2O C1817 5.488 6.341 6.336 0.00 0.00 -ATOM 5451 H2 H2O C1817 4.259 5.422 6.894 0.00 0.00 -ATOM 5452 O1 H2O C1818 55.383 47.535 4.244 0.00 0.00 -ATOM 5453 H1 H2O C1818 56.144 48.093 3.914 0.00 0.00 -ATOM 5454 H2 H2O C1818 55.531 46.581 3.982 0.00 0.00 -ATOM 5455 O1 H2O C1819 58.123 18.061 47.206 0.00 0.00 -ATOM 5456 H1 H2O C1819 58.588 18.707 46.600 0.00 0.00 -ATOM 5457 H2 H2O C1819 57.965 17.202 46.719 0.00 0.00 -ATOM 5458 O1 H2O C1820 56.616 7.081 42.328 0.00 0.00 -ATOM 5459 H1 H2O C1820 55.880 7.692 42.620 0.00 0.00 -ATOM 5460 H2 H2O C1820 56.266 6.147 42.258 0.00 0.00 -ATOM 5461 O1 H2O C1821 42.179 1.060 56.590 0.00 0.00 -ATOM 5462 H1 H2O C1821 42.531 0.206 56.971 0.00 0.00 -ATOM 5463 H2 H2O C1821 42.121 1.749 57.313 0.00 0.00 -ATOM 5464 O1 H2O C1822 47.544 17.216 59.018 0.00 0.00 -ATOM 5465 H1 H2O C1822 47.311 16.541 59.718 0.00 0.00 -ATOM 5466 H2 H2O C1822 48.538 17.320 58.974 0.00 0.00 -ATOM 5467 O1 H2O C1823 42.304 20.941 18.999 0.00 0.00 -ATOM 5468 H1 H2O C1823 43.187 21.194 19.395 0.00 0.00 -ATOM 5469 H2 H2O C1823 42.407 20.107 18.458 0.00 0.00 -ATOM 5470 O1 H2O C1824 8.204 59.822 59.017 0.00 0.00 -ATOM 5471 H1 H2O C1824 8.526 59.061 59.581 0.00 0.00 -ATOM 5472 H2 H2O C1824 8.274 59.573 58.051 0.00 0.00 -ATOM 5473 O1 H2O C1825 28.385 18.311 6.474 0.00 0.00 -ATOM 5474 H1 H2O C1825 29.048 18.936 6.063 0.00 0.00 -ATOM 5475 H2 H2O C1825 27.820 18.811 7.132 0.00 0.00 -ATOM 5476 O1 H2O C1826 7.993 39.106 53.215 0.00 0.00 -ATOM 5477 H1 H2O C1826 8.537 39.925 53.400 0.00 0.00 -ATOM 5478 H2 H2O C1826 8.370 38.334 53.727 0.00 0.00 -ATOM 5479 O1 H2O C1827 54.220 4.221 19.318 0.00 0.00 -ATOM 5480 H1 H2O C1827 54.418 5.126 18.941 0.00 0.00 -ATOM 5481 H2 H2O C1827 54.953 3.953 19.943 0.00 0.00 -ATOM 5482 O1 H2O C1828 0.574 25.500 41.128 0.00 0.00 -ATOM 5483 H1 H2O C1828 0.338 24.598 41.488 0.00 0.00 -ATOM 5484 H2 H2O C1828 0.091 26.204 41.648 0.00 0.00 -ATOM 5485 O1 H2O C1829 26.365 11.426 18.441 0.00 0.00 -ATOM 5486 H1 H2O C1829 26.349 12.376 18.754 0.00 0.00 -ATOM 5487 H2 H2O C1829 25.892 11.357 17.563 0.00 0.00 -ATOM 5488 O1 H2O C1830 45.941 3.136 10.535 0.00 0.00 -ATOM 5489 H1 H2O C1830 46.195 3.538 9.656 0.00 0.00 -ATOM 5490 H2 H2O C1830 46.633 3.367 11.220 0.00 0.00 -ATOM 5491 O1 H2O C1831 4.093 19.054 50.156 0.00 0.00 -ATOM 5492 H1 H2O C1831 5.001 19.358 49.871 0.00 0.00 -ATOM 5493 H2 H2O C1831 3.815 18.269 49.602 0.00 0.00 -ATOM 5494 O1 H2O C1832 38.716 46.364 30.358 0.00 0.00 -ATOM 5495 H1 H2O C1832 38.147 47.146 30.103 0.00 0.00 -ATOM 5496 H2 H2O C1832 38.137 45.559 30.489 0.00 0.00 -ATOM 5497 O1 H2O C1833 56.533 40.739 58.122 0.00 0.00 -ATOM 5498 H1 H2O C1833 57.074 40.719 57.281 0.00 0.00 -ATOM 5499 H2 H2O C1833 56.069 39.862 58.241 0.00 0.00 -ATOM 5500 O1 H2O C1834 46.321 16.601 1.257 0.00 0.00 -ATOM 5501 H1 H2O C1834 45.660 17.276 0.929 0.00 0.00 -ATOM 5502 H2 H2O C1834 46.590 16.826 2.194 0.00 0.00 -ATOM 5503 O1 H2O C1835 29.239 8.669 19.442 0.00 0.00 -ATOM 5504 H1 H2O C1835 28.719 9.224 20.092 0.00 0.00 -ATOM 5505 H2 H2O C1835 28.609 8.107 18.905 0.00 0.00 -ATOM 5506 O1 H2O C1836 15.572 35.854 49.170 0.00 0.00 -ATOM 5507 H1 H2O C1836 16.286 36.488 49.468 0.00 0.00 -ATOM 5508 H2 H2O C1836 14.674 36.236 49.387 0.00 0.00 -ATOM 5509 O1 H2O C1837 51.803 41.984 6.291 0.00 0.00 -ATOM 5510 H1 H2O C1837 52.609 41.922 5.702 0.00 0.00 -ATOM 5511 H2 H2O C1837 51.802 42.866 6.762 0.00 0.00 -ATOM 5512 O1 H2O C1838 7.357 36.604 13.563 0.00 0.00 -ATOM 5513 H1 H2O C1838 6.965 35.799 13.117 0.00 0.00 -ATOM 5514 H2 H2O C1838 7.821 36.325 14.405 0.00 0.00 -ATOM 5515 O1 H2O C1839 57.426 47.126 58.304 0.00 0.00 -ATOM 5516 H1 H2O C1839 57.567 46.468 57.564 0.00 0.00 -ATOM 5517 H2 H2O C1839 58.312 47.432 58.651 0.00 0.00 -ATOM 5518 O1 H2O C1840 2.875 53.040 21.297 0.00 0.00 -ATOM 5519 H1 H2O C1840 2.978 52.068 21.083 0.00 0.00 -ATOM 5520 H2 H2O C1840 2.545 53.141 22.235 0.00 0.00 -ATOM 5521 O1 H2O C1841 45.599 53.803 37.657 0.00 0.00 -ATOM 5522 H1 H2O C1841 46.543 54.069 37.855 0.00 0.00 -ATOM 5523 H2 H2O C1841 45.399 53.978 36.693 0.00 0.00 -ATOM 5524 O1 H2O C1842 18.918 14.586 28.943 0.00 0.00 -ATOM 5525 H1 H2O C1842 19.379 15.014 29.721 0.00 0.00 -ATOM 5526 H2 H2O C1842 19.561 13.992 28.460 0.00 0.00 -ATOM 5527 O1 H2O C1843 9.495 25.711 56.543 0.00 0.00 -ATOM 5528 H1 H2O C1843 9.986 25.252 55.803 0.00 0.00 -ATOM 5529 H2 H2O C1843 10.152 26.141 57.163 0.00 0.00 -ATOM 5530 O1 H2O C1844 6.475 30.778 37.994 0.00 0.00 -ATOM 5531 H1 H2O C1844 5.957 30.283 37.296 0.00 0.00 -ATOM 5532 H2 H2O C1844 7.365 31.043 37.623 0.00 0.00 -ATOM 5533 O1 H2O C1845 30.781 19.023 31.960 0.00 0.00 -ATOM 5534 H1 H2O C1845 31.759 18.891 32.123 0.00 0.00 -ATOM 5535 H2 H2O C1845 30.628 19.933 31.574 0.00 0.00 -ATOM 5536 O1 H2O C1846 20.573 59.227 45.485 0.00 0.00 -ATOM 5537 H1 H2O C1846 19.859 58.713 45.008 0.00 0.00 -ATOM 5538 H2 H2O C1846 21.448 58.755 45.383 0.00 0.00 -ATOM 5539 O1 H2O C1847 10.240 41.392 22.680 0.00 0.00 -ATOM 5540 H1 H2O C1847 9.838 40.864 23.429 0.00 0.00 -ATOM 5541 H2 H2O C1847 10.450 40.781 21.917 0.00 0.00 -ATOM 5542 O1 H2O C1848 49.494 47.212 9.428 0.00 0.00 -ATOM 5543 H1 H2O C1848 50.197 47.800 9.827 0.00 0.00 -ATOM 5544 H2 H2O C1848 49.695 46.257 9.644 0.00 0.00 -ATOM 5545 O1 H2O C1849 45.972 12.548 33.444 0.00 0.00 -ATOM 5546 H1 H2O C1849 45.224 11.983 33.791 0.00 0.00 -ATOM 5547 H2 H2O C1849 46.632 11.970 32.963 0.00 0.00 -ATOM 5548 O1 H2O C1850 33.177 21.785 15.912 0.00 0.00 -ATOM 5549 H1 H2O C1850 33.480 22.439 15.220 0.00 0.00 -ATOM 5550 H2 H2O C1850 33.960 21.252 16.233 0.00 0.00 -ATOM 5551 O1 H2O C1851 31.972 33.770 43.063 0.00 0.00 -ATOM 5552 H1 H2O C1851 31.753 34.480 42.394 0.00 0.00 -ATOM 5553 H2 H2O C1851 32.618 33.121 42.660 0.00 0.00 -ATOM 5554 O1 H2O C1852 50.339 16.341 15.320 0.00 0.00 -ATOM 5555 H1 H2O C1852 49.579 16.502 15.949 0.00 0.00 -ATOM 5556 H2 H2O C1852 50.083 15.632 14.662 0.00 0.00 -ATOM 5557 O1 H2O C1853 45.294 16.010 28.250 0.00 0.00 -ATOM 5558 H1 H2O C1853 44.643 15.535 27.657 0.00 0.00 -ATOM 5559 H2 H2O C1853 45.713 16.766 27.746 0.00 0.00 -ATOM 5560 O1 H2O C1854 25.057 25.325 11.939 0.00 0.00 -ATOM 5561 H1 H2O C1854 25.026 24.728 12.741 0.00 0.00 -ATOM 5562 H2 H2O C1854 26.005 25.586 11.754 0.00 0.00 -ATOM 5563 O1 H2O C1855 8.913 37.394 28.692 0.00 0.00 -ATOM 5564 H1 H2O C1855 8.273 36.626 28.705 0.00 0.00 -ATOM 5565 H2 H2O C1855 9.835 37.057 28.502 0.00 0.00 -ATOM 5566 O1 H2O C1856 6.898 27.719 56.291 0.00 0.00 -ATOM 5567 H1 H2O C1856 6.696 28.313 55.512 0.00 0.00 -ATOM 5568 H2 H2O C1856 6.302 26.916 56.261 0.00 0.00 -ATOM 5569 O1 H2O C1857 38.342 5.450 55.224 0.00 0.00 -ATOM 5570 H1 H2O C1857 37.650 6.017 54.778 0.00 0.00 -ATOM 5571 H2 H2O C1857 37.916 4.617 55.575 0.00 0.00 -ATOM 5572 O1 H2O C1858 12.655 27.655 28.276 0.00 0.00 -ATOM 5573 H1 H2O C1858 13.052 28.435 27.793 0.00 0.00 -ATOM 5574 H2 H2O C1858 12.382 27.936 29.196 0.00 0.00 -ATOM 5575 O1 H2O C1859 18.254 36.748 43.611 0.00 0.00 -ATOM 5576 H1 H2O C1859 18.263 37.542 44.218 0.00 0.00 -ATOM 5577 H2 H2O C1859 17.752 36.971 42.776 0.00 0.00 -ATOM 5578 O1 H2O C1860 24.921 53.803 15.586 0.00 0.00 -ATOM 5579 H1 H2O C1860 24.240 53.112 15.343 0.00 0.00 -ATOM 5580 H2 H2O C1860 25.790 53.585 15.141 0.00 0.00 -ATOM 5581 O1 H2O C1861 30.824 36.863 17.673 0.00 0.00 -ATOM 5582 H1 H2O C1861 31.744 37.226 17.526 0.00 0.00 -ATOM 5583 H2 H2O C1861 30.380 36.712 16.791 0.00 0.00 -ATOM 5584 O1 H2O C1862 8.804 38.504 19.699 0.00 0.00 -ATOM 5585 H1 H2O C1862 8.851 37.578 20.072 0.00 0.00 -ATOM 5586 H2 H2O C1862 7.847 38.781 19.613 0.00 0.00 -ATOM 5587 O1 H2O C1863 42.829 29.280 56.356 0.00 0.00 -ATOM 5588 H1 H2O C1863 43.768 28.937 56.376 0.00 0.00 -ATOM 5589 H2 H2O C1863 42.224 28.623 56.807 0.00 0.00 -ATOM 5590 O1 H2O C1864 39.521 56.101 3.404 0.00 0.00 -ATOM 5591 H1 H2O C1864 38.666 55.979 3.907 0.00 0.00 -ATOM 5592 H2 H2O C1864 39.915 56.993 3.627 0.00 0.00 -ATOM 5593 O1 H2O C1865 44.228 47.648 1.346 0.00 0.00 -ATOM 5594 H1 H2O C1865 44.479 47.453 0.398 0.00 0.00 -ATOM 5595 H2 H2O C1865 43.591 48.418 1.370 0.00 0.00 -ATOM 5596 O1 H2O C1866 8.467 31.541 23.031 0.00 0.00 -ATOM 5597 H1 H2O C1866 8.524 31.545 24.029 0.00 0.00 -ATOM 5598 H2 H2O C1866 7.906 30.769 22.732 0.00 0.00 -ATOM 5599 O1 H2O C1867 5.679 27.808 5.482 0.00 0.00 -ATOM 5600 H1 H2O C1867 5.159 27.527 6.289 0.00 0.00 -ATOM 5601 H2 H2O C1867 5.586 27.113 4.768 0.00 0.00 -ATOM 5602 O1 H2O C1868 56.197 56.079 7.633 0.00 0.00 -ATOM 5603 H1 H2O C1868 55.400 55.600 8.002 0.00 0.00 -ATOM 5604 H2 H2O C1868 56.253 55.922 6.647 0.00 0.00 -ATOM 5605 O1 H2O C1869 7.688 12.482 38.437 0.00 0.00 -ATOM 5606 H1 H2O C1869 7.487 13.393 38.796 0.00 0.00 -ATOM 5607 H2 H2O C1869 8.667 12.296 38.529 0.00 0.00 -ATOM 5608 O1 H2O C1870 47.478 10.460 39.348 0.00 0.00 -ATOM 5609 H1 H2O C1870 46.513 10.719 39.378 0.00 0.00 -ATOM 5610 H2 H2O C1870 47.568 9.557 38.928 0.00 0.00 -ATOM 5611 O1 H2O C1871 15.702 46.774 22.276 0.00 0.00 -ATOM 5612 H1 H2O C1871 15.714 47.774 22.279 0.00 0.00 -ATOM 5613 H2 H2O C1871 15.837 46.436 23.207 0.00 0.00 -ATOM 5614 O1 H2O C1872 51.379 35.336 26.471 0.00 0.00 -ATOM 5615 H1 H2O C1872 50.674 35.476 25.775 0.00 0.00 -ATOM 5616 H2 H2O C1872 51.009 35.567 27.371 0.00 0.00 -ATOM 5617 O1 H2O C1873 8.709 4.870 54.968 0.00 0.00 -ATOM 5618 H1 H2O C1873 7.960 4.567 55.557 0.00 0.00 -ATOM 5619 H2 H2O C1873 8.709 5.869 54.915 0.00 0.00 -ATOM 5620 O1 H2O C1874 55.314 21.329 57.490 0.00 0.00 -ATOM 5621 H1 H2O C1874 55.099 20.537 56.919 0.00 0.00 -ATOM 5622 H2 H2O C1874 55.775 21.024 58.324 0.00 0.00 -ATOM 5623 O1 H2O C1875 51.357 42.872 39.736 0.00 0.00 -ATOM 5624 H1 H2O C1875 50.710 42.605 39.022 0.00 0.00 -ATOM 5625 H2 H2O C1875 51.268 43.851 39.918 0.00 0.00 -ATOM 5626 O1 H2O C1876 21.172 19.395 59.610 0.00 0.00 -ATOM 5627 H1 H2O C1876 21.128 18.408 59.762 0.00 0.00 -ATOM 5628 H2 H2O C1876 21.722 19.584 58.796 0.00 0.00 -ATOM 5629 O1 H2O C1877 39.148 29.956 10.676 0.00 0.00 -ATOM 5630 H1 H2O C1877 39.796 29.780 9.935 0.00 0.00 -ATOM 5631 H2 H2O C1877 38.408 29.285 10.638 0.00 0.00 -ATOM 5632 O1 H2O C1878 58.120 0.706 23.833 0.00 0.00 -ATOM 5633 H1 H2O C1878 57.147 0.721 24.062 0.00 0.00 -ATOM 5634 H2 H2O C1878 58.610 0.139 24.496 0.00 0.00 -ATOM 5635 O1 H2O C1879 42.832 39.133 18.320 0.00 0.00 -ATOM 5636 H1 H2O C1879 42.310 39.431 19.119 0.00 0.00 -ATOM 5637 H2 H2O C1879 42.222 38.669 17.678 0.00 0.00 -ATOM 5638 O1 H2O C1880 2.465 44.667 44.731 0.00 0.00 -ATOM 5639 H1 H2O C1880 3.038 43.857 44.605 0.00 0.00 -ATOM 5640 H2 H2O C1880 1.691 44.629 44.099 0.00 0.00 -ATOM 5641 O1 H2O C1881 50.199 19.346 55.006 0.00 0.00 -ATOM 5642 H1 H2O C1881 49.421 18.947 55.490 0.00 0.00 -ATOM 5643 H2 H2O C1881 50.394 18.808 54.186 0.00 0.00 -ATOM 5644 O1 H2O C1882 20.795 1.798 15.288 0.00 0.00 -ATOM 5645 H1 H2O C1882 21.434 1.700 16.050 0.00 0.00 -ATOM 5646 H2 H2O C1882 21.143 2.482 14.647 0.00 0.00 -ATOM 5647 O1 H2O C1883 12.053 41.908 19.463 0.00 0.00 -ATOM 5648 H1 H2O C1883 11.730 42.853 19.410 0.00 0.00 -ATOM 5649 H2 H2O C1883 11.292 41.308 19.709 0.00 0.00 -ATOM 5650 O1 H2O C1884 3.922 23.455 26.514 0.00 0.00 -ATOM 5651 H1 H2O C1884 3.085 23.159 26.974 0.00 0.00 -ATOM 5652 H2 H2O C1884 4.672 22.840 26.757 0.00 0.00 -ATOM 5653 O1 H2O C1885 42.308 40.962 46.249 0.00 0.00 -ATOM 5654 H1 H2O C1885 41.451 40.526 45.975 0.00 0.00 -ATOM 5655 H2 H2O C1885 42.560 41.655 45.574 0.00 0.00 -ATOM 5656 O1 H2O C1886 12.635 48.566 21.650 0.00 0.00 -ATOM 5657 H1 H2O C1886 12.024 48.027 22.230 0.00 0.00 -ATOM 5658 H2 H2O C1886 13.096 47.963 21.000 0.00 0.00 -ATOM 5659 O1 H2O C1887 10.128 49.213 1.911 0.00 0.00 -ATOM 5660 H1 H2O C1887 9.623 48.986 2.744 0.00 0.00 -ATOM 5661 H2 H2O C1887 9.992 50.180 1.692 0.00 0.00 -ATOM 5662 O1 H2O C1888 23.176 50.388 45.693 0.00 0.00 -ATOM 5663 H1 H2O C1888 23.169 49.965 44.787 0.00 0.00 -ATOM 5664 H2 H2O C1888 23.502 51.330 45.619 0.00 0.00 -ATOM 5665 O1 H2O C1889 59.584 49.475 33.003 0.00 0.00 -ATOM 5666 H1 H2O C1889 60.043 50.236 33.461 0.00 0.00 -ATOM 5667 H2 H2O C1889 59.172 49.798 32.151 0.00 0.00 -ATOM 5668 O1 H2O C1890 8.614 25.661 15.369 0.00 0.00 -ATOM 5669 H1 H2O C1890 9.178 26.017 16.115 0.00 0.00 -ATOM 5670 H2 H2O C1890 8.737 26.231 14.557 0.00 0.00 -ATOM 5671 O1 H2O C1891 4.749 22.124 50.708 0.00 0.00 -ATOM 5672 H1 H2O C1891 3.883 21.827 50.307 0.00 0.00 -ATOM 5673 H2 H2O C1891 5.508 21.698 50.215 0.00 0.00 -ATOM 5674 O1 H2O C1892 21.015 0.986 23.986 0.00 0.00 -ATOM 5675 H1 H2O C1892 21.582 1.438 23.298 0.00 0.00 -ATOM 5676 H2 H2O C1892 21.095 -0.006 23.883 0.00 0.00 -ATOM 5677 O1 H2O C1893 12.561 38.934 42.798 0.00 0.00 -ATOM 5678 H1 H2O C1893 11.565 39.018 42.781 0.00 0.00 -ATOM 5679 H2 H2O C1893 12.948 39.672 43.351 0.00 0.00 -ATOM 5680 O1 H2O C1894 38.050 39.807 56.537 0.00 0.00 -ATOM 5681 H1 H2O C1894 39.049 39.751 56.547 0.00 0.00 -ATOM 5682 H2 H2O C1894 37.724 40.113 57.431 0.00 0.00 -ATOM 5683 O1 H2O C1895 52.051 20.336 30.706 0.00 0.00 -ATOM 5684 H1 H2O C1895 51.066 20.392 30.539 0.00 0.00 -ATOM 5685 H2 H2O C1895 52.299 20.961 31.447 0.00 0.00 -ATOM 5686 O1 H2O C1896 52.635 37.685 1.394 0.00 0.00 -ATOM 5687 H1 H2O C1896 52.442 38.665 1.433 0.00 0.00 -ATOM 5688 H2 H2O C1896 53.272 37.442 2.126 0.00 0.00 -ATOM 5689 O1 H2O C1897 56.760 18.686 25.622 0.00 0.00 -ATOM 5690 H1 H2O C1897 56.411 19.559 25.964 0.00 0.00 -ATOM 5691 H2 H2O C1897 56.058 17.982 25.731 0.00 0.00 -ATOM 5692 O1 H2O C1898 30.212 12.619 47.786 0.00 0.00 -ATOM 5693 H1 H2O C1898 29.423 12.951 47.269 0.00 0.00 -ATOM 5694 H2 H2O C1898 29.930 11.861 48.375 0.00 0.00 -ATOM 5695 O1 H2O C1899 37.180 44.331 19.232 0.00 0.00 -ATOM 5696 H1 H2O C1899 36.382 43.758 19.420 0.00 0.00 -ATOM 5697 H2 H2O C1899 37.101 44.721 18.315 0.00 0.00 -ATOM 5698 O1 H2O C1900 38.283 20.824 25.273 0.00 0.00 -ATOM 5699 H1 H2O C1900 38.412 21.811 25.175 0.00 0.00 -ATOM 5700 H2 H2O C1900 38.165 20.413 24.370 0.00 0.00 -ATOM 5701 O1 H2O C1901 42.498 20.296 13.841 0.00 0.00 -ATOM 5702 H1 H2O C1901 42.149 20.467 14.763 0.00 0.00 -ATOM 5703 H2 H2O C1901 43.485 20.460 13.823 0.00 0.00 -ATOM 5704 O1 H2O C1902 11.606 16.970 8.105 0.00 0.00 -ATOM 5705 H1 H2O C1902 11.364 16.187 7.531 0.00 0.00 -ATOM 5706 H2 H2O C1902 11.568 16.701 9.068 0.00 0.00 -ATOM 5707 O1 H2O C1903 51.583 18.419 9.101 0.00 0.00 -ATOM 5708 H1 H2O C1903 52.447 18.917 9.177 0.00 0.00 -ATOM 5709 H2 H2O C1903 51.357 18.289 8.136 0.00 0.00 -ATOM 5710 O1 H2O C1904 6.833 59.182 39.785 0.00 0.00 -ATOM 5711 H1 H2O C1904 6.134 58.485 39.941 0.00 0.00 -ATOM 5712 H2 H2O C1904 6.974 59.707 40.624 0.00 0.00 -ATOM 5713 O1 H2O C1905 51.641 52.042 49.219 0.00 0.00 -ATOM 5714 H1 H2O C1905 52.278 52.446 49.876 0.00 0.00 -ATOM 5715 H2 H2O C1905 52.153 51.665 48.447 0.00 0.00 -ATOM 5716 O1 H2O C1906 57.802 18.223 7.561 0.00 0.00 -ATOM 5717 H1 H2O C1906 57.749 18.797 6.744 0.00 0.00 -ATOM 5718 H2 H2O C1906 57.925 18.802 8.367 0.00 0.00 -ATOM 5719 O1 H2O C1907 21.824 42.143 1.152 0.00 0.00 -ATOM 5720 H1 H2O C1907 21.486 42.508 2.020 0.00 0.00 -ATOM 5721 H2 H2O C1907 22.259 41.257 1.310 0.00 0.00 -ATOM 5722 O1 H2O C1908 20.190 17.820 11.909 0.00 0.00 -ATOM 5723 H1 H2O C1908 19.580 17.816 12.701 0.00 0.00 -ATOM 5724 H2 H2O C1908 19.769 18.342 11.167 0.00 0.00 -ATOM 5725 O1 H2O C1909 45.443 9.116 48.765 0.00 0.00 -ATOM 5726 H1 H2O C1909 45.111 8.232 48.437 0.00 0.00 -ATOM 5727 H2 H2O C1909 45.002 9.336 49.635 0.00 0.00 -ATOM 5728 O1 H2O C1910 22.630 47.755 11.611 0.00 0.00 -ATOM 5729 H1 H2O C1910 22.388 47.938 12.564 0.00 0.00 -ATOM 5730 H2 H2O C1910 23.553 47.373 11.569 0.00 0.00 -ATOM 5731 O1 H2O C1911 46.801 42.925 52.345 0.00 0.00 -ATOM 5732 H1 H2O C1911 46.115 42.675 51.663 0.00 0.00 -ATOM 5733 H2 H2O C1911 46.739 43.904 52.538 0.00 0.00 -ATOM 5734 O1 H2O C1912 42.387 7.094 31.344 0.00 0.00 -ATOM 5735 H1 H2O C1912 42.792 6.522 30.631 0.00 0.00 -ATOM 5736 H2 H2O C1912 41.803 7.789 30.923 0.00 0.00 -ATOM 5737 O1 H2O C1913 56.226 41.334 6.016 0.00 0.00 -ATOM 5738 H1 H2O C1913 55.246 41.164 5.910 0.00 0.00 -ATOM 5739 H2 H2O C1913 56.600 41.677 5.155 0.00 0.00 -ATOM 5740 O1 H2O C1914 57.631 43.667 58.721 0.00 0.00 -ATOM 5741 H1 H2O C1914 58.087 44.137 59.476 0.00 0.00 -ATOM 5742 H2 H2O C1914 57.415 44.326 58.000 0.00 0.00 -ATOM 5743 O1 H2O C1915 59.455 14.147 53.753 0.00 0.00 -ATOM 5744 H1 H2O C1915 60.001 13.459 53.277 0.00 0.00 -ATOM 5745 H2 H2O C1915 59.035 13.738 54.563 0.00 0.00 -ATOM 5746 O1 H2O C1916 10.371 53.865 47.133 0.00 0.00 -ATOM 5747 H1 H2O C1916 10.812 53.036 47.477 0.00 0.00 -ATOM 5748 H2 H2O C1916 9.944 54.356 47.893 0.00 0.00 -ATOM 5749 O1 H2O C1917 54.199 22.068 33.357 0.00 0.00 -ATOM 5750 H1 H2O C1917 54.959 21.474 33.618 0.00 0.00 -ATOM 5751 H2 H2O C1917 53.596 21.580 32.726 0.00 0.00 -ATOM 5752 O1 H2O C1918 8.967 19.829 40.278 0.00 0.00 -ATOM 5753 H1 H2O C1918 8.164 20.291 40.653 0.00 0.00 -ATOM 5754 H2 H2O C1918 9.388 20.407 39.579 0.00 0.00 -ATOM 5755 O1 H2O C1919 59.439 9.630 16.651 0.00 0.00 -ATOM 5756 H1 H2O C1919 59.889 9.305 15.819 0.00 0.00 -ATOM 5757 H2 H2O C1919 58.610 10.133 16.407 0.00 0.00 -ATOM 5758 O1 H2O C1920 56.359 45.930 32.448 0.00 0.00 -ATOM 5759 H1 H2O C1920 55.446 46.022 32.049 0.00 0.00 -ATOM 5760 H2 H2O C1920 56.306 46.070 33.436 0.00 0.00 -ATOM 5761 O1 H2O C1921 26.978 11.845 6.057 0.00 0.00 -ATOM 5762 H1 H2O C1921 27.463 11.004 5.817 0.00 0.00 -ATOM 5763 H2 H2O C1921 25.992 11.684 6.018 0.00 0.00 -ATOM 5764 O1 H2O C1922 51.599 47.002 2.892 0.00 0.00 -ATOM 5765 H1 H2O C1922 51.718 47.803 3.478 0.00 0.00 -ATOM 5766 H2 H2O C1922 50.854 46.437 3.246 0.00 0.00 -ATOM 5767 O1 H2O C1923 51.279 2.914 58.716 0.00 0.00 -ATOM 5768 H1 H2O C1923 51.524 2.767 59.674 0.00 0.00 -ATOM 5769 H2 H2O C1923 50.916 2.066 58.331 0.00 0.00 -ATOM 5770 O1 H2O C1924 28.096 20.388 4.343 0.00 0.00 -ATOM 5771 H1 H2O C1924 28.215 20.950 3.524 0.00 0.00 -ATOM 5772 H2 H2O C1924 28.826 20.592 4.996 0.00 0.00 -ATOM 5773 O1 H2O C1925 37.118 50.543 35.308 0.00 0.00 -ATOM 5774 H1 H2O C1925 37.474 49.923 36.007 0.00 0.00 -ATOM 5775 H2 H2O C1925 37.878 51.013 34.861 0.00 0.00 -ATOM 5776 O1 H2O C1926 34.662 0.387 34.186 0.00 0.00 -ATOM 5777 H1 H2O C1926 34.146 0.714 33.395 0.00 0.00 -ATOM 5778 H2 H2O C1926 34.510 -0.595 34.300 0.00 0.00 -ATOM 5779 O1 H2O C1927 10.995 60.241 29.467 0.00 0.00 -ATOM 5780 H1 H2O C1927 11.801 59.749 29.797 0.00 0.00 -ATOM 5781 H2 H2O C1927 10.358 59.593 29.050 0.00 0.00 -ATOM 5782 O1 H2O C1928 0.259 7.487 14.959 0.00 0.00 -ATOM 5783 H1 H2O C1928 1.092 7.593 14.417 0.00 0.00 -ATOM 5784 H2 H2O C1928 -0.494 7.968 14.511 0.00 0.00 -ATOM 5785 O1 H2O C1929 5.008 52.943 20.334 0.00 0.00 -ATOM 5786 H1 H2O C1929 5.621 52.629 21.058 0.00 0.00 -ATOM 5787 H2 H2O C1929 5.546 53.345 19.593 0.00 0.00 -ATOM 5788 O1 H2O C1930 43.652 56.040 28.922 0.00 0.00 -ATOM 5789 H1 H2O C1930 42.829 56.471 28.551 0.00 0.00 -ATOM 5790 H2 H2O C1930 44.141 56.697 29.496 0.00 0.00 -ATOM 5791 O1 H2O C1931 2.665 51.925 10.116 0.00 0.00 -ATOM 5792 H1 H2O C1931 1.884 52.018 9.499 0.00 0.00 -ATOM 5793 H2 H2O C1931 3.141 52.802 10.186 0.00 0.00 -ATOM 5794 O1 H2O C1932 11.832 20.880 28.237 0.00 0.00 -ATOM 5795 H1 H2O C1932 10.919 20.718 27.864 0.00 0.00 -ATOM 5796 H2 H2O C1932 11.754 21.331 29.126 0.00 0.00 -ATOM 5797 O1 H2O C1933 56.102 33.557 46.255 0.00 0.00 -ATOM 5798 H1 H2O C1933 56.103 33.044 45.396 0.00 0.00 -ATOM 5799 H2 H2O C1933 55.354 34.221 46.245 0.00 0.00 -ATOM 5800 O1 H2O C1934 50.158 48.474 57.243 0.00 0.00 -ATOM 5801 H1 H2O C1934 49.962 47.527 56.991 0.00 0.00 -ATOM 5802 H2 H2O C1934 50.889 48.830 56.662 0.00 0.00 -ATOM 5803 O1 H2O C1935 58.385 16.866 43.685 0.00 0.00 -ATOM 5804 H1 H2O C1935 58.383 15.887 43.884 0.00 0.00 -ATOM 5805 H2 H2O C1935 57.452 17.168 43.489 0.00 0.00 -ATOM 5806 O1 H2O C1936 23.021 33.633 30.389 0.00 0.00 -ATOM 5807 H1 H2O C1936 23.445 33.067 29.681 0.00 0.00 -ATOM 5808 H2 H2O C1936 23.401 34.557 30.348 0.00 0.00 -ATOM 5809 O1 H2O C1937 23.757 39.553 6.208 0.00 0.00 -ATOM 5810 H1 H2O C1937 23.759 39.615 5.210 0.00 0.00 -ATOM 5811 H2 H2O C1937 22.856 39.254 6.522 0.00 0.00 -ATOM 5812 O1 H2O C1938 32.318 29.897 23.534 0.00 0.00 -ATOM 5813 H1 H2O C1938 31.435 29.539 23.231 0.00 0.00 -ATOM 5814 H2 H2O C1938 32.363 30.878 23.344 0.00 0.00 -ATOM 5815 O1 H2O C1939 3.735 32.766 3.145 0.00 0.00 -ATOM 5816 H1 H2O C1939 3.033 33.131 3.757 0.00 0.00 -ATOM 5817 H2 H2O C1939 4.618 33.179 3.367 0.00 0.00 -ATOM 5818 O1 H2O C1940 23.971 39.037 28.951 0.00 0.00 -ATOM 5819 H1 H2O C1940 23.676 39.879 29.404 0.00 0.00 -ATOM 5820 H2 H2O C1940 24.503 39.267 28.135 0.00 0.00 -ATOM 5821 O1 H2O C1941 19.152 56.359 45.722 0.00 0.00 -ATOM 5822 H1 H2O C1941 18.913 56.169 46.674 0.00 0.00 -ATOM 5823 H2 H2O C1941 18.371 56.779 45.259 0.00 0.00 -ATOM 5824 O1 H2O C1942 52.469 49.013 13.509 0.00 0.00 -ATOM 5825 H1 H2O C1942 52.811 48.428 14.244 0.00 0.00 -ATOM 5826 H2 H2O C1942 53.184 49.656 13.234 0.00 0.00 -ATOM 5827 O1 H2O C1943 34.812 49.233 12.848 0.00 0.00 -ATOM 5828 H1 H2O C1943 35.343 48.797 12.122 0.00 0.00 -ATOM 5829 H2 H2O C1943 34.783 50.221 12.694 0.00 0.00 -ATOM 5830 O1 H2O C1944 3.126 14.395 6.075 0.00 0.00 -ATOM 5831 H1 H2O C1944 2.864 15.217 5.570 0.00 0.00 -ATOM 5832 H2 H2O C1944 2.620 13.609 5.717 0.00 0.00 -ATOM 5833 O1 H2O C1945 39.894 8.274 42.155 0.00 0.00 -ATOM 5834 H1 H2O C1945 39.196 7.769 41.648 0.00 0.00 -ATOM 5835 H2 H2O C1945 40.030 9.170 41.733 0.00 0.00 -ATOM 5836 O1 H2O C1946 27.733 28.020 48.064 0.00 0.00 -ATOM 5837 H1 H2O C1946 27.979 27.355 47.359 0.00 0.00 -ATOM 5838 H2 H2O C1946 28.378 27.953 48.825 0.00 0.00 -ATOM 5839 O1 H2O C1947 27.709 35.265 53.401 0.00 0.00 -ATOM 5840 H1 H2O C1947 27.289 35.164 54.303 0.00 0.00 -ATOM 5841 H2 H2O C1947 28.540 35.816 53.480 0.00 0.00 -ATOM 5842 O1 H2O C1948 13.126 36.371 14.110 0.00 0.00 -ATOM 5843 H1 H2O C1948 12.818 36.300 15.059 0.00 0.00 -ATOM 5844 H2 H2O C1948 13.376 35.463 13.772 0.00 0.00 -ATOM 5845 O1 H2O C1949 17.457 19.096 52.354 0.00 0.00 -ATOM 5846 H1 H2O C1949 17.652 18.116 52.402 0.00 0.00 -ATOM 5847 H2 H2O C1949 17.447 19.479 53.278 0.00 0.00 -ATOM 5848 O1 H2O C1950 46.911 57.607 54.103 0.00 0.00 -ATOM 5849 H1 H2O C1950 46.816 56.695 54.502 0.00 0.00 -ATOM 5850 H2 H2O C1950 46.250 57.717 53.361 0.00 0.00 -ATOM 5851 O1 H2O C1951 1.911 7.560 40.405 0.00 0.00 -ATOM 5852 H1 H2O C1951 1.591 6.619 40.293 0.00 0.00 -ATOM 5853 H2 H2O C1951 1.491 7.960 41.220 0.00 0.00 -ATOM 5854 O1 H2O C1952 19.065 50.621 13.191 0.00 0.00 -ATOM 5855 H1 H2O C1952 19.520 50.054 12.504 0.00 0.00 -ATOM 5856 H2 H2O C1952 18.959 50.100 14.037 0.00 0.00 -ATOM 5857 O1 H2O C1953 45.648 56.946 26.889 0.00 0.00 -ATOM 5858 H1 H2O C1953 46.115 57.773 27.201 0.00 0.00 -ATOM 5859 H2 H2O C1953 45.908 56.176 27.473 0.00 0.00 -ATOM 5860 O1 H2O C1954 49.139 3.649 30.382 0.00 0.00 -ATOM 5861 H1 H2O C1954 49.600 4.458 30.019 0.00 0.00 -ATOM 5862 H2 H2O C1954 48.687 3.881 31.243 0.00 0.00 -ATOM 5863 O1 H2O C1955 47.302 9.171 9.022 0.00 0.00 -ATOM 5864 H1 H2O C1955 46.912 10.076 8.849 0.00 0.00 -ATOM 5865 H2 H2O C1955 48.261 9.267 9.287 0.00 0.00 -ATOM 5866 O1 H2O C1956 12.461 2.384 17.514 0.00 0.00 -ATOM 5867 H1 H2O C1956 13.146 2.441 16.787 0.00 0.00 -ATOM 5868 H2 H2O C1956 12.509 3.206 18.082 0.00 0.00 -ATOM 5869 O1 H2O C1957 44.587 49.982 7.650 0.00 0.00 -ATOM 5870 H1 H2O C1957 45.391 49.402 7.529 0.00 0.00 -ATOM 5871 H2 H2O C1957 43.858 49.455 8.089 0.00 0.00 -ATOM 5872 O1 H2O C1958 0.986 6.065 54.906 0.00 0.00 -ATOM 5873 H1 H2O C1958 1.376 5.387 54.283 0.00 0.00 -ATOM 5874 H2 H2O C1958 0.058 5.792 55.158 0.00 0.00 -ATOM 5875 O1 H2O C1959 46.364 19.007 54.802 0.00 0.00 -ATOM 5876 H1 H2O C1959 47.242 18.662 54.471 0.00 0.00 -ATOM 5877 H2 H2O C1959 45.677 18.283 54.741 0.00 0.00 -ATOM 5878 O1 H2O C1960 51.526 11.661 2.169 0.00 0.00 -ATOM 5879 H1 H2O C1960 51.054 12.358 1.629 0.00 0.00 -ATOM 5880 H2 H2O C1960 50.975 10.826 2.190 0.00 0.00 -ATOM 5881 O1 H2O C1961 10.578 59.994 39.048 0.00 0.00 -ATOM 5882 H1 H2O C1961 9.826 59.701 38.458 0.00 0.00 -ATOM 5883 H2 H2O C1961 10.262 60.038 39.996 0.00 0.00 -ATOM 5884 O1 H2O C1962 5.723 58.460 25.240 0.00 0.00 -ATOM 5885 H1 H2O C1962 5.037 57.955 24.717 0.00 0.00 -ATOM 5886 H2 H2O C1962 6.638 58.181 24.948 0.00 0.00 -ATOM 5887 O1 H2O C1963 45.371 58.456 22.895 0.00 0.00 -ATOM 5888 H1 H2O C1963 44.918 58.493 22.004 0.00 0.00 -ATOM 5889 H2 H2O C1963 44.776 58.862 23.589 0.00 0.00 -ATOM 5890 O1 H2O C1964 6.392 14.306 45.830 0.00 0.00 -ATOM 5891 H1 H2O C1964 5.971 14.016 46.689 0.00 0.00 -ATOM 5892 H2 H2O C1964 6.726 13.503 45.335 0.00 0.00 -ATOM 5893 O1 H2O C1965 46.344 37.378 21.193 0.00 0.00 -ATOM 5894 H1 H2O C1965 47.058 37.106 21.839 0.00 0.00 -ATOM 5895 H2 H2O C1965 45.650 37.917 21.671 0.00 0.00 -ATOM 5896 O1 H2O C1966 56.583 26.370 27.476 0.00 0.00 -ATOM 5897 H1 H2O C1966 56.399 27.150 26.878 0.00 0.00 -ATOM 5898 H2 H2O C1966 55.731 26.071 27.905 0.00 0.00 -ATOM 5899 O1 H2O C1967 34.835 12.192 24.558 0.00 0.00 -ATOM 5900 H1 H2O C1967 35.811 12.187 24.344 0.00 0.00 -ATOM 5901 H2 H2O C1967 34.323 12.539 23.772 0.00 0.00 -ATOM 5902 O1 H2O C1968 46.385 16.975 40.518 0.00 0.00 -ATOM 5903 H1 H2O C1968 46.537 16.273 41.213 0.00 0.00 -ATOM 5904 H2 H2O C1968 45.485 17.390 40.653 0.00 0.00 -ATOM 5905 O1 H2O C1969 42.402 56.498 52.163 0.00 0.00 -ATOM 5906 H1 H2O C1969 42.309 55.658 52.698 0.00 0.00 -ATOM 5907 H2 H2O C1969 43.317 56.538 51.762 0.00 0.00 -ATOM 5908 O1 H2O C1970 4.418 37.630 44.403 0.00 0.00 -ATOM 5909 H1 H2O C1970 4.052 38.547 44.249 0.00 0.00 -ATOM 5910 H2 H2O C1970 4.418 37.121 43.542 0.00 0.00 -ATOM 5911 O1 H2O C1971 35.719 43.806 35.554 0.00 0.00 -ATOM 5912 H1 H2O C1971 34.781 43.909 35.885 0.00 0.00 -ATOM 5913 H2 H2O C1971 35.704 43.472 34.611 0.00 0.00 -ATOM 5914 O1 H2O C1972 48.846 46.917 59.526 0.00 0.00 -ATOM 5915 H1 H2O C1972 49.299 46.325 58.860 0.00 0.00 -ATOM 5916 H2 H2O C1972 49.384 46.945 60.368 0.00 0.00 -ATOM 5917 O1 H2O C1973 19.798 38.602 52.195 0.00 0.00 -ATOM 5918 H1 H2O C1973 20.791 38.503 52.133 0.00 0.00 -ATOM 5919 H2 H2O C1973 19.381 38.337 51.326 0.00 0.00 -ATOM 5920 O1 H2O C1974 2.824 3.425 23.726 0.00 0.00 -ATOM 5921 H1 H2O C1974 3.371 4.016 23.133 0.00 0.00 -ATOM 5922 H2 H2O C1974 2.152 3.977 24.220 0.00 0.00 -ATOM 5923 O1 H2O C1975 42.120 56.681 20.318 0.00 0.00 -ATOM 5924 H1 H2O C1975 41.534 57.440 20.600 0.00 0.00 -ATOM 5925 H2 H2O C1975 42.377 56.797 19.358 0.00 0.00 -ATOM 5926 O1 H2O C1976 15.364 13.250 24.869 0.00 0.00 -ATOM 5927 H1 H2O C1976 16.150 13.750 24.506 0.00 0.00 -ATOM 5928 H2 H2O C1976 14.683 13.900 25.207 0.00 0.00 -ATOM 5929 O1 H2O C1977 27.587 58.265 13.156 0.00 0.00 -ATOM 5930 H1 H2O C1977 28.570 58.445 13.187 0.00 0.00 -ATOM 5931 H2 H2O C1977 27.102 59.105 12.912 0.00 0.00 -ATOM 5932 O1 H2O C1978 28.980 38.901 13.149 0.00 0.00 -ATOM 5933 H1 H2O C1978 28.255 39.583 13.246 0.00 0.00 -ATOM 5934 H2 H2O C1978 29.092 38.670 12.182 0.00 0.00 -ATOM 5935 O1 H2O C1979 54.794 10.993 2.001 0.00 0.00 -ATOM 5936 H1 H2O C1979 54.890 10.002 1.911 0.00 0.00 -ATOM 5937 H2 H2O C1979 55.087 11.275 2.914 0.00 0.00 -ATOM 5938 O1 H2O C1980 11.714 18.914 16.788 0.00 0.00 -ATOM 5939 H1 H2O C1980 11.937 18.473 17.658 0.00 0.00 -ATOM 5940 H2 H2O C1980 12.353 19.666 16.622 0.00 0.00 -ATOM 5941 O1 H2O C1981 53.488 21.354 5.863 0.00 0.00 -ATOM 5942 H1 H2O C1981 52.553 21.309 5.510 0.00 0.00 -ATOM 5943 H2 H2O C1981 53.743 22.310 6.007 0.00 0.00 -ATOM 5944 O1 H2O C1982 26.677 1.764 59.165 0.00 0.00 -ATOM 5945 H1 H2O C1982 26.649 1.882 58.173 0.00 0.00 -ATOM 5946 H2 H2O C1982 27.461 1.194 59.412 0.00 0.00 -ATOM 5947 O1 H2O C1983 39.697 50.172 46.401 0.00 0.00 -ATOM 5948 H1 H2O C1983 40.463 49.816 46.937 0.00 0.00 -ATOM 5949 H2 H2O C1983 40.022 50.901 45.798 0.00 0.00 -ATOM 5950 O1 H2O C1984 37.170 19.606 11.928 0.00 0.00 -ATOM 5951 H1 H2O C1984 36.370 20.205 11.926 0.00 0.00 -ATOM 5952 H2 H2O C1984 37.831 19.936 12.603 0.00 0.00 -ATOM 5953 O1 H2O C1985 36.890 25.716 7.343 0.00 0.00 -ATOM 5954 H1 H2O C1985 36.678 26.424 8.017 0.00 0.00 -ATOM 5955 H2 H2O C1985 37.157 26.147 6.481 0.00 0.00 -ATOM 5956 O1 H2O C1986 53.096 54.365 7.077 0.00 0.00 -ATOM 5957 H1 H2O C1986 53.570 53.512 6.858 0.00 0.00 -ATOM 5958 H2 H2O C1986 52.333 54.494 6.444 0.00 0.00 -ATOM 5959 O1 H2O C1987 46.073 56.116 29.089 0.00 0.00 -ATOM 5960 H1 H2O C1987 46.494 55.428 28.498 0.00 0.00 -ATOM 5961 H2 H2O C1987 46.477 57.011 28.900 0.00 0.00 -ATOM 5962 O1 H2O C1988 48.836 43.813 8.453 0.00 0.00 -ATOM 5963 H1 H2O C1988 48.359 44.551 8.931 0.00 0.00 -ATOM 5964 H2 H2O C1988 48.255 43.461 7.719 0.00 0.00 -ATOM 5965 O1 H2O C1989 49.666 1.354 20.889 0.00 0.00 -ATOM 5966 H1 H2O C1989 50.501 1.673 20.442 0.00 0.00 -ATOM 5967 H2 H2O C1989 49.904 0.762 21.659 0.00 0.00 -ATOM 5968 O1 H2O C1990 23.138 2.300 0.674 0.00 0.00 -ATOM 5969 H1 H2O C1990 22.491 2.767 1.277 0.00 0.00 -ATOM 5970 H2 H2O C1990 24.013 2.784 0.685 0.00 0.00 -ATOM 5971 O1 H2O C1991 12.954 12.545 49.894 0.00 0.00 -ATOM 5972 H1 H2O C1991 13.918 12.811 49.897 0.00 0.00 -ATOM 5973 H2 H2O C1991 12.700 12.201 50.798 0.00 0.00 -ATOM 5974 O1 H2O C1992 16.509 21.639 25.670 0.00 0.00 -ATOM 5975 H1 H2O C1992 15.582 21.923 25.914 0.00 0.00 -ATOM 5976 H2 H2O C1992 16.958 22.372 25.159 0.00 0.00 -ATOM 5977 O1 H2O C1993 10.348 18.109 54.063 0.00 0.00 -ATOM 5978 H1 H2O C1993 10.772 17.978 54.959 0.00 0.00 -ATOM 5979 H2 H2O C1993 10.897 18.750 53.525 0.00 0.00 -ATOM 5980 O1 H2O C1994 18.433 44.308 18.643 0.00 0.00 -ATOM 5981 H1 H2O C1994 18.923 45.086 18.250 0.00 0.00 -ATOM 5982 H2 H2O C1994 17.541 44.217 18.200 0.00 0.00 -ATOM 5983 O1 H2O C1995 4.413 19.824 51.053 0.00 0.00 -ATOM 5984 H1 H2O C1995 5.339 20.095 50.790 0.00 0.00 -ATOM 5985 H2 H2O C1995 3.790 20.595 50.925 0.00 0.00 -ATOM 5986 O1 H2O C1996 54.660 43.923 4.276 0.00 0.00 -ATOM 5987 H1 H2O C1996 55.147 43.898 5.149 0.00 0.00 -ATOM 5988 H2 H2O C1996 55.001 44.685 3.726 0.00 0.00 -ATOM 5989 O1 H2O C1997 48.878 6.948 52.931 0.00 0.00 -ATOM 5990 H1 H2O C1997 48.849 7.851 53.359 0.00 0.00 -ATOM 5991 H2 H2O C1997 49.104 7.046 51.962 0.00 0.00 -ATOM 5992 O1 H2O C1998 38.234 50.312 19.941 0.00 0.00 -ATOM 5993 H1 H2O C1998 38.497 51.187 19.533 0.00 0.00 -ATOM 5994 H2 H2O C1998 38.896 49.609 19.676 0.00 0.00 -ATOM 5995 O1 H2O C1999 38.379 45.192 30.925 0.00 0.00 -ATOM 5996 H1 H2O C1999 38.580 46.078 30.508 0.00 0.00 -ATOM 5997 H2 H2O C1999 37.594 45.281 31.537 0.00 0.00 -ATOM 5998 O1 H2O C2000 36.905 47.762 40.125 0.00 0.00 -ATOM 5999 H1 H2O C2000 36.016 48.211 40.040 0.00 0.00 -ATOM 6000 H2 H2O C2000 37.130 47.648 41.093 0.00 0.00 -ATOM 6001 O1 H2O C2001 31.170 30.593 41.386 0.00 0.00 -ATOM 6002 H1 H2O C2001 31.010 31.018 40.495 0.00 0.00 -ATOM 6003 H2 H2O C2001 30.956 29.617 41.333 0.00 0.00 -ATOM 6004 O1 H2O C2002 14.187 10.582 28.801 0.00 0.00 -ATOM 6005 H1 H2O C2002 14.239 9.584 28.830 0.00 0.00 -ATOM 6006 H2 H2O C2002 14.631 10.915 27.969 0.00 0.00 -ATOM 6007 O1 H2O C2003 22.637 35.046 53.478 0.00 0.00 -ATOM 6008 H1 H2O C2003 21.847 35.658 53.499 0.00 0.00 -ATOM 6009 H2 H2O C2003 22.895 34.866 52.529 0.00 0.00 -ATOM 6010 O1 H2O C2004 58.522 50.525 7.768 0.00 0.00 -ATOM 6011 H1 H2O C2004 58.398 51.260 7.102 0.00 0.00 -ATOM 6012 H2 H2O C2004 57.664 50.024 7.875 0.00 0.00 -ATOM 6013 O1 H2O C2005 53.347 50.858 5.265 0.00 0.00 -ATOM 6014 H1 H2O C2005 52.843 51.128 4.445 0.00 0.00 -ATOM 6015 H2 H2O C2005 52.777 51.013 6.072 0.00 0.00 -ATOM 6016 O1 H2O C2006 17.190 38.616 33.995 0.00 0.00 -ATOM 6017 H1 H2O C2006 16.406 38.134 34.387 0.00 0.00 -ATOM 6018 H2 H2O C2006 18.025 38.333 34.466 0.00 0.00 -ATOM 6019 O1 H2O C2007 37.422 16.082 28.308 0.00 0.00 -ATOM 6020 H1 H2O C2007 38.392 16.118 28.066 0.00 0.00 -ATOM 6021 H2 H2O C2007 37.041 17.006 28.297 0.00 0.00 -ATOM 6022 O1 H2O C2008 13.807 8.134 20.392 0.00 0.00 -ATOM 6023 H1 H2O C2008 13.776 7.270 19.889 0.00 0.00 -ATOM 6024 H2 H2O C2008 12.875 8.458 20.555 0.00 0.00 -ATOM 6025 O1 H2O C2009 38.361 53.701 30.562 0.00 0.00 -ATOM 6026 H1 H2O C2009 37.379 53.794 30.730 0.00 0.00 -ATOM 6027 H2 H2O C2009 38.849 54.441 31.025 0.00 0.00 -ATOM 6028 O1 H2O C2010 52.011 43.328 54.059 0.00 0.00 -ATOM 6029 H1 H2O C2010 52.225 42.411 54.395 0.00 0.00 -ATOM 6030 H2 H2O C2010 52.624 43.558 53.303 0.00 0.00 -ATOM 6031 O1 H2O C2011 28.820 30.565 54.735 0.00 0.00 -ATOM 6032 H1 H2O C2011 28.630 30.201 53.823 0.00 0.00 -ATOM 6033 H2 H2O C2011 29.624 30.108 55.115 0.00 0.00 -ATOM 6034 O1 H2O C2012 50.738 56.616 44.579 0.00 0.00 -ATOM 6035 H1 H2O C2012 50.632 56.466 43.596 0.00 0.00 -ATOM 6036 H2 H2O C2012 51.611 57.069 44.755 0.00 0.00 -ATOM 6037 O1 H2O C2013 36.185 57.704 25.167 0.00 0.00 -ATOM 6038 H1 H2O C2013 35.793 56.847 24.833 0.00 0.00 -ATOM 6039 H2 H2O C2013 35.647 58.473 24.822 0.00 0.00 -ATOM 6040 O1 H2O C2014 1.987 53.987 44.478 0.00 0.00 -ATOM 6041 H1 H2O C2014 2.702 53.329 44.715 0.00 0.00 -ATOM 6042 H2 H2O C2014 1.808 54.581 45.262 0.00 0.00 -ATOM 6043 O1 H2O C2015 39.922 10.069 2.254 0.00 0.00 -ATOM 6044 H1 H2O C2015 39.615 10.481 1.396 0.00 0.00 -ATOM 6045 H2 H2O C2015 40.446 9.241 2.058 0.00 0.00 -ATOM 6046 O1 H2O C2016 28.696 54.639 30.780 0.00 0.00 -ATOM 6047 H1 H2O C2016 28.130 54.305 30.026 0.00 0.00 -ATOM 6048 H2 H2O C2016 29.649 54.384 30.620 0.00 0.00 -ATOM 6049 O1 H2O C2017 18.202 22.309 48.523 0.00 0.00 -ATOM 6050 H1 H2O C2017 17.935 22.024 47.603 0.00 0.00 -ATOM 6051 H2 H2O C2017 18.134 23.304 48.596 0.00 0.00 -ATOM 6052 O1 H2O C2018 40.077 46.156 25.397 0.00 0.00 -ATOM 6053 H1 H2O C2018 40.394 46.833 26.062 0.00 0.00 -ATOM 6054 H2 H2O C2018 39.699 45.367 25.880 0.00 0.00 -ATOM 6055 O1 H2O C2019 43.584 20.083 32.312 0.00 0.00 -ATOM 6056 H1 H2O C2019 43.155 20.934 32.009 0.00 0.00 -ATOM 6057 H2 H2O C2019 43.748 20.125 33.298 0.00 0.00 -ATOM 6058 O1 H2O C2020 15.922 43.588 3.803 0.00 0.00 -ATOM 6059 H1 H2O C2020 16.477 44.194 4.372 0.00 0.00 -ATOM 6060 H2 H2O C2020 16.468 43.262 3.031 0.00 0.00 -ATOM 6061 O1 H2O C2021 47.117 35.306 10.023 0.00 0.00 -ATOM 6062 H1 H2O C2021 47.957 35.714 9.667 0.00 0.00 -ATOM 6063 H2 H2O C2021 46.605 34.887 9.273 0.00 0.00 -ATOM 6064 O1 H2O C2022 8.351 9.220 0.137 0.00 0.00 -ATOM 6065 H1 H2O C2022 8.861 8.649 -0.506 0.00 0.00 -ATOM 6066 H2 H2O C2022 8.933 9.972 0.449 0.00 0.00 -ATOM 6067 O1 H2O C2023 11.333 55.724 1.855 0.00 0.00 -ATOM 6068 H1 H2O C2023 10.777 54.892 1.851 0.00 0.00 -ATOM 6069 H2 H2O C2023 11.319 56.130 2.769 0.00 0.00 -ATOM 6070 O1 H2O C2024 41.396 47.635 5.441 0.00 0.00 -ATOM 6071 H1 H2O C2024 40.572 48.021 5.855 0.00 0.00 -ATOM 6072 H2 H2O C2024 41.161 47.203 4.570 0.00 0.00 -ATOM 6073 O1 H2O C2025 34.539 26.009 26.507 0.00 0.00 -ATOM 6074 H1 H2O C2025 35.440 25.786 26.879 0.00 0.00 -ATOM 6075 H2 H2O C2025 33.839 25.817 27.195 0.00 0.00 -ATOM 6076 O1 H2O C2026 26.774 55.547 0.788 0.00 0.00 -ATOM 6077 H1 H2O C2026 26.281 54.726 0.501 0.00 0.00 -ATOM 6078 H2 H2O C2026 26.911 56.147 -0.000 0.00 0.00 -ATOM 6079 O1 H2O C2027 42.747 22.791 22.053 0.00 0.00 -ATOM 6080 H1 H2O C2027 42.671 21.907 21.591 0.00 0.00 -ATOM 6081 H2 H2O C2027 42.214 22.771 22.899 0.00 0.00 -ATOM 6082 O1 H2O C2028 39.818 18.271 45.862 0.00 0.00 -ATOM 6083 H1 H2O C2028 40.078 17.563 46.519 0.00 0.00 -ATOM 6084 H2 H2O C2028 39.585 17.845 44.987 0.00 0.00 -ATOM 6085 O1 H2O C2029 23.462 48.101 2.268 0.00 0.00 -ATOM 6086 H1 H2O C2029 23.030 47.731 3.091 0.00 0.00 -ATOM 6087 H2 H2O C2029 23.550 49.093 2.354 0.00 0.00 -ATOM 6088 O1 H2O C2030 1.657 7.021 46.925 0.00 0.00 -ATOM 6089 H1 H2O C2030 2.635 6.925 46.737 0.00 0.00 -ATOM 6090 H2 H2O C2030 1.133 6.607 46.180 0.00 0.00 -ATOM 6091 O1 H2O C2031 12.848 32.568 33.931 0.00 0.00 -ATOM 6092 H1 H2O C2031 13.577 32.796 33.285 0.00 0.00 -ATOM 6093 H2 H2O C2031 12.331 31.784 33.588 0.00 0.00 -ATOM 6094 O1 H2O C2032 12.391 2.428 31.575 0.00 0.00 -ATOM 6095 H1 H2O C2032 12.489 1.434 31.621 0.00 0.00 -ATOM 6096 H2 H2O C2032 11.512 2.658 31.159 0.00 0.00 -ATOM 6097 O1 H2O C2033 58.175 26.211 2.262 0.00 0.00 -ATOM 6098 H1 H2O C2033 58.199 26.388 3.245 0.00 0.00 -ATOM 6099 H2 H2O C2033 57.905 25.262 2.100 0.00 0.00 -ATOM 6100 O1 H2O C2034 13.327 27.964 19.229 0.00 0.00 -ATOM 6101 H1 H2O C2034 14.113 27.846 18.622 0.00 0.00 -ATOM 6102 H2 H2O C2034 12.510 27.588 18.793 0.00 0.00 -ATOM 6103 O1 H2O C2035 47.994 14.428 23.420 0.00 0.00 -ATOM 6104 H1 H2O C2035 48.114 13.777 22.670 0.00 0.00 -ATOM 6105 H2 H2O C2035 48.865 14.553 23.895 0.00 0.00 -ATOM 6106 O1 H2O C2036 40.749 27.941 58.989 0.00 0.00 -ATOM 6107 H1 H2O C2036 41.470 27.556 59.565 0.00 0.00 -ATOM 6108 H2 H2O C2036 40.439 27.250 58.336 0.00 0.00 -ATOM 6109 O1 H2O C2037 33.528 5.220 36.766 0.00 0.00 -ATOM 6110 H1 H2O C2037 33.819 5.702 35.939 0.00 0.00 -ATOM 6111 H2 H2O C2037 34.333 4.957 37.298 0.00 0.00 -ATOM 6112 O1 H2O C2038 37.362 22.220 4.498 0.00 0.00 -ATOM 6113 H1 H2O C2038 37.166 21.265 4.277 0.00 0.00 -ATOM 6114 H2 H2O C2038 37.046 22.807 3.753 0.00 0.00 -ATOM 6115 O1 H2O C2039 57.428 26.212 55.745 0.00 0.00 -ATOM 6116 H1 H2O C2039 57.980 26.458 54.949 0.00 0.00 -ATOM 6117 H2 H2O C2039 56.602 26.775 55.765 0.00 0.00 -ATOM 6118 O1 H2O C2040 39.419 16.824 57.771 0.00 0.00 -ATOM 6119 H1 H2O C2040 38.920 16.000 58.040 0.00 0.00 -ATOM 6120 H2 H2O C2040 38.909 17.633 58.063 0.00 0.00 -ATOM 6121 O1 H2O C2041 48.725 54.346 33.258 0.00 0.00 -ATOM 6122 H1 H2O C2041 49.105 53.441 33.451 0.00 0.00 -ATOM 6123 H2 H2O C2041 47.727 54.291 33.240 0.00 0.00 -ATOM 6124 O1 H2O C2042 3.818 38.713 33.186 0.00 0.00 -ATOM 6125 H1 H2O C2042 3.918 38.051 33.928 0.00 0.00 -ATOM 6126 H2 H2O C2042 2.849 38.918 33.049 0.00 0.00 -ATOM 6127 O1 H2O C2043 54.750 55.000 9.485 0.00 0.00 -ATOM 6128 H1 H2O C2043 55.026 54.918 8.527 0.00 0.00 -ATOM 6129 H2 H2O C2043 54.169 55.806 9.597 0.00 0.00 -ATOM 6130 O1 H2O C2044 11.691 54.496 51.127 0.00 0.00 -ATOM 6131 H1 H2O C2044 12.609 54.736 51.441 0.00 0.00 -ATOM 6132 H2 H2O C2044 11.506 54.953 50.257 0.00 0.00 -ATOM 6133 O1 H2O C2045 9.442 31.517 8.783 0.00 0.00 -ATOM 6134 H1 H2O C2045 9.173 30.578 8.569 0.00 0.00 -ATOM 6135 H2 H2O C2045 8.671 32.131 8.615 0.00 0.00 -ATOM 6136 O1 H2O C2046 16.719 57.681 25.990 0.00 0.00 -ATOM 6137 H1 H2O C2046 16.705 58.618 26.339 0.00 0.00 -ATOM 6138 H2 H2O C2046 17.607 57.497 25.568 0.00 0.00 -ATOM 6139 O1 H2O C2047 4.521 4.577 50.522 0.00 0.00 -ATOM 6140 H1 H2O C2047 3.840 4.646 51.251 0.00 0.00 -ATOM 6141 H2 H2O C2047 4.161 4.010 49.781 0.00 0.00 -ATOM 6142 O1 H2O C2048 31.944 27.513 47.018 0.00 0.00 -ATOM 6143 H1 H2O C2048 31.852 27.536 48.014 0.00 0.00 -ATOM 6144 H2 H2O C2048 31.769 26.585 46.689 0.00 0.00 -ATOM 6145 O1 H2O C2049 58.869 25.625 9.500 0.00 0.00 -ATOM 6146 H1 H2O C2049 59.777 25.219 9.596 0.00 0.00 -ATOM 6147 H2 H2O C2049 58.172 24.933 9.691 0.00 0.00 -ATOM 6148 O1 H2O C2050 36.713 2.915 16.159 0.00 0.00 -ATOM 6149 H1 H2O C2050 35.739 2.721 16.272 0.00 0.00 -ATOM 6150 H2 H2O C2050 37.233 2.063 16.229 0.00 0.00 -ATOM 6151 O1 H2O C2051 35.928 31.384 48.248 0.00 0.00 -ATOM 6152 H1 H2O C2051 36.708 31.938 48.538 0.00 0.00 -ATOM 6153 H2 H2O C2051 35.144 31.979 48.072 0.00 0.00 -ATOM 6154 O1 H2O C2052 24.826 26.056 57.895 0.00 0.00 -ATOM 6155 H1 H2O C2052 24.939 25.148 58.299 0.00 0.00 -ATOM 6156 H2 H2O C2052 24.637 26.721 58.618 0.00 0.00 -ATOM 6157 O1 H2O C2053 54.680 46.892 1.345 0.00 0.00 -ATOM 6158 H1 H2O C2053 54.770 47.873 1.171 0.00 0.00 -ATOM 6159 H2 H2O C2053 53.806 46.713 1.796 0.00 0.00 -ATOM 6160 O1 H2O C2054 44.953 1.851 29.659 0.00 0.00 -ATOM 6161 H1 H2O C2054 44.999 1.374 30.536 0.00 0.00 -ATOM 6162 H2 H2O C2054 44.138 2.430 29.636 0.00 0.00 -ATOM 6163 O1 H2O C2055 34.258 2.242 23.792 0.00 0.00 -ATOM 6164 H1 H2O C2055 33.835 2.965 23.246 0.00 0.00 -ATOM 6165 H2 H2O C2055 33.864 2.246 24.711 0.00 0.00 -ATOM 6166 O1 H2O C2056 48.878 5.479 49.175 0.00 0.00 -ATOM 6167 H1 H2O C2056 48.048 5.981 49.418 0.00 0.00 -ATOM 6168 H2 H2O C2056 49.038 4.755 49.846 0.00 0.00 -ATOM 6169 O1 H2O C2057 20.652 59.365 34.949 0.00 0.00 -ATOM 6170 H1 H2O C2057 20.942 58.431 35.157 0.00 0.00 -ATOM 6171 H2 H2O C2057 20.980 59.982 35.664 0.00 0.00 -ATOM 6172 O1 H2O C2058 59.776 33.697 55.575 0.00 0.00 -ATOM 6173 H1 H2O C2058 59.562 34.448 56.199 0.00 0.00 -ATOM 6174 H2 H2O C2058 59.126 32.951 55.716 0.00 0.00 -ATOM 6175 O1 H2O C2059 26.765 26.724 -0.292 0.00 0.00 -ATOM 6176 H1 H2O C2059 27.153 25.818 -0.117 0.00 0.00 -ATOM 6177 H2 H2O C2059 26.806 27.271 0.543 0.00 0.00 -ATOM 6178 O1 H2O C2060 28.933 50.980 52.262 0.00 0.00 -ATOM 6179 H1 H2O C2060 29.704 50.513 52.694 0.00 0.00 -ATOM 6180 H2 H2O C2060 28.506 51.599 52.922 0.00 0.00 -ATOM 6181 O1 H2O C2061 22.296 40.271 2.468 0.00 0.00 -ATOM 6182 H1 H2O C2061 22.854 40.306 3.297 0.00 0.00 -ATOM 6183 H2 H2O C2061 21.400 39.883 2.685 0.00 0.00 -ATOM 6184 O1 H2O C2062 48.138 21.791 29.114 0.00 0.00 -ATOM 6185 H1 H2O C2062 47.963 21.049 29.761 0.00 0.00 -ATOM 6186 H2 H2O C2062 49.040 22.183 29.293 0.00 0.00 -ATOM 6187 O1 H2O C2063 38.261 50.911 29.278 0.00 0.00 -ATOM 6188 H1 H2O C2063 38.943 51.638 29.352 0.00 0.00 -ATOM 6189 H2 H2O C2063 38.630 50.067 29.669 0.00 0.00 -ATOM 6190 O1 H2O C2064 5.045 24.216 32.190 0.00 0.00 -ATOM 6191 H1 H2O C2064 5.403 24.857 31.511 0.00 0.00 -ATOM 6192 H2 H2O C2064 5.804 23.827 32.713 0.00 0.00 -ATOM 6193 O1 H2O C2065 34.866 13.866 48.350 0.00 0.00 -ATOM 6194 H1 H2O C2065 34.778 14.145 47.394 0.00 0.00 -ATOM 6195 H2 H2O C2065 33.959 13.679 48.727 0.00 0.00 -ATOM 6196 O1 H2O C2066 15.558 51.205 28.085 0.00 0.00 -ATOM 6197 H1 H2O C2066 15.342 50.399 28.635 0.00 0.00 -ATOM 6198 H2 H2O C2066 16.429 51.591 28.386 0.00 0.00 -ATOM 6199 O1 H2O C2067 29.403 47.362 9.377 0.00 0.00 -ATOM 6200 H1 H2O C2067 29.641 47.244 10.341 0.00 0.00 -ATOM 6201 H2 H2O C2067 28.842 46.591 9.076 0.00 0.00 -ATOM 6202 O1 H2O C2068 14.140 58.158 47.078 0.00 0.00 -ATOM 6203 H1 H2O C2068 14.365 58.429 48.014 0.00 0.00 -ATOM 6204 H2 H2O C2068 14.399 57.203 46.936 0.00 0.00 -ATOM 6205 O1 H2O C2069 0.867 59.591 23.191 0.00 0.00 -ATOM 6206 H1 H2O C2069 1.542 59.481 23.921 0.00 0.00 -ATOM 6207 H2 H2O C2069 1.337 59.665 22.311 0.00 0.00 -ATOM 6208 O1 H2O C2070 13.637 45.381 43.548 0.00 0.00 -ATOM 6209 H1 H2O C2070 13.276 45.634 42.650 0.00 0.00 -ATOM 6210 H2 H2O C2070 13.191 44.543 43.862 0.00 0.00 -ATOM 6211 O1 H2O C2071 52.162 14.410 50.705 0.00 0.00 -ATOM 6212 H1 H2O C2071 51.849 14.842 51.551 0.00 0.00 -ATOM 6213 H2 H2O C2071 52.964 14.897 50.359 0.00 0.00 -ATOM 6214 O1 H2O C2072 35.181 36.382 28.017 0.00 0.00 -ATOM 6215 H1 H2O C2072 34.382 36.042 28.512 0.00 0.00 -ATOM 6216 H2 H2O C2072 35.396 35.761 27.264 0.00 0.00 -ATOM 6217 O1 H2O C2073 23.381 9.245 46.312 0.00 0.00 -ATOM 6218 H1 H2O C2073 23.434 8.283 46.043 0.00 0.00 -ATOM 6219 H2 H2O C2073 23.522 9.823 45.509 0.00 0.00 -ATOM 6220 O1 H2O C2074 24.915 51.152 42.609 0.00 0.00 -ATOM 6221 H1 H2O C2074 24.102 50.973 42.056 0.00 0.00 -ATOM 6222 H2 H2O C2074 25.277 52.057 42.387 0.00 0.00 -ATOM 6223 O1 H2O C2075 42.098 42.068 30.177 0.00 0.00 -ATOM 6224 H1 H2O C2075 41.970 41.410 29.435 0.00 0.00 -ATOM 6225 H2 H2O C2075 42.960 41.878 30.647 0.00 0.00 -ATOM 6226 O1 H2O C2076 55.573 48.146 0.306 0.00 0.00 -ATOM 6227 H1 H2O C2076 55.190 48.050 1.224 0.00 0.00 -ATOM 6228 H2 H2O C2076 55.226 47.413 -0.279 0.00 0.00 -ATOM 6229 O1 H2O C2077 1.772 51.434 18.379 0.00 0.00 -ATOM 6230 H1 H2O C2077 1.620 52.397 18.157 0.00 0.00 -ATOM 6231 H2 H2O C2077 0.972 51.072 18.858 0.00 0.00 -ATOM 6232 O1 H2O C2078 24.610 37.656 39.348 0.00 0.00 -ATOM 6233 H1 H2O C2078 24.189 37.849 38.462 0.00 0.00 -ATOM 6234 H2 H2O C2078 24.820 36.681 39.412 0.00 0.00 -ATOM 6235 O1 H2O C2079 53.582 -0.195 13.075 0.00 0.00 -ATOM 6236 H1 H2O C2079 52.675 -0.006 12.698 0.00 0.00 -ATOM 6237 H2 H2O C2079 54.045 0.668 13.274 0.00 0.00 -ATOM 6238 O1 H2O C2080 32.325 20.707 4.593 0.00 0.00 -ATOM 6239 H1 H2O C2080 32.319 21.265 3.764 0.00 0.00 -ATOM 6240 H2 H2O C2080 33.094 20.069 4.560 0.00 0.00 -ATOM 6241 O1 H2O C2081 45.924 9.043 7.711 0.00 0.00 -ATOM 6242 H1 H2O C2081 45.936 8.045 7.644 0.00 0.00 -ATOM 6243 H2 H2O C2081 44.986 9.356 7.856 0.00 0.00 -ATOM 6244 O1 H2O C2082 50.606 58.301 56.374 0.00 0.00 -ATOM 6245 H1 H2O C2082 51.466 58.092 55.909 0.00 0.00 -ATOM 6246 H2 H2O C2082 50.793 58.848 57.190 0.00 0.00 -ATOM 6247 O1 H2O C2083 48.302 4.325 59.756 0.00 0.00 -ATOM 6248 H1 H2O C2083 48.019 4.650 60.658 0.00 0.00 -ATOM 6249 H2 H2O C2083 49.193 4.716 59.525 0.00 0.00 -ATOM 6250 O1 H2O C2084 40.668 27.959 50.363 0.00 0.00 -ATOM 6251 H1 H2O C2084 40.752 28.635 51.095 0.00 0.00 -ATOM 6252 H2 H2O C2084 41.570 27.781 49.969 0.00 0.00 -ATOM 6253 O1 H2O C2085 27.612 4.014 15.722 0.00 0.00 -ATOM 6254 H1 H2O C2085 27.245 4.078 14.794 0.00 0.00 -ATOM 6255 H2 H2O C2085 27.665 4.929 16.124 0.00 0.00 -ATOM 6256 O1 H2O C2086 48.128 51.287 33.788 0.00 0.00 -ATOM 6257 H1 H2O C2086 47.151 51.080 33.836 0.00 0.00 -ATOM 6258 H2 H2O C2086 48.540 50.779 33.032 0.00 0.00 -ATOM 6259 O1 H2O C2087 36.423 15.089 4.231 0.00 0.00 -ATOM 6260 H1 H2O C2087 35.861 14.624 3.548 0.00 0.00 -ATOM 6261 H2 H2O C2087 35.932 15.887 4.580 0.00 0.00 -ATOM 6262 O1 H2O C2088 54.364 44.168 21.984 0.00 0.00 -ATOM 6263 H1 H2O C2088 54.277 43.539 21.211 0.00 0.00 -ATOM 6264 H2 H2O C2088 54.394 45.109 21.646 0.00 0.00 -ATOM 6265 O1 H2O C2089 40.670 53.743 25.398 0.00 0.00 -ATOM 6266 H1 H2O C2089 41.109 54.199 26.172 0.00 0.00 -ATOM 6267 H2 H2O C2089 40.620 54.375 24.624 0.00 0.00 -ATOM 6268 O1 H2O C2090 9.078 28.843 0.666 0.00 0.00 -ATOM 6269 H1 H2O C2090 8.205 29.303 0.502 0.00 0.00 -ATOM 6270 H2 H2O C2090 9.122 28.544 1.620 0.00 0.00 -ATOM 6271 O1 H2O C2091 11.577 21.589 38.715 0.00 0.00 -ATOM 6272 H1 H2O C2091 10.990 22.286 39.127 0.00 0.00 -ATOM 6273 H2 H2O C2091 11.016 20.946 38.193 0.00 0.00 -ATOM 6274 O1 H2O C2092 47.690 3.772 12.096 0.00 0.00 -ATOM 6275 H1 H2O C2092 48.573 4.172 12.344 0.00 0.00 -ATOM 6276 H2 H2O C2092 47.395 4.139 11.214 0.00 0.00 -ATOM 6277 O1 H2O C2093 35.423 11.427 40.400 0.00 0.00 -ATOM 6278 H1 H2O C2093 35.638 11.332 41.372 0.00 0.00 -ATOM 6279 H2 H2O C2093 34.481 11.133 40.237 0.00 0.00 -ATOM 6280 O1 H2O C2094 46.557 47.607 28.963 0.00 0.00 -ATOM 6281 H1 H2O C2094 45.732 47.607 29.529 0.00 0.00 -ATOM 6282 H2 H2O C2094 47.324 47.969 29.493 0.00 0.00 -ATOM 6283 O1 H2O C2095 17.668 7.847 8.648 0.00 0.00 -ATOM 6284 H1 H2O C2095 18.531 8.274 8.920 0.00 0.00 -ATOM 6285 H2 H2O C2095 17.518 7.994 7.670 0.00 0.00 -ATOM 6286 O1 H2O C2096 43.467 31.683 41.004 0.00 0.00 -ATOM 6287 H1 H2O C2096 43.462 31.396 40.046 0.00 0.00 -ATOM 6288 H2 H2O C2096 42.804 31.139 41.519 0.00 0.00 -ATOM 6289 O1 H2O C2097 50.108 57.841 32.441 0.00 0.00 -ATOM 6290 H1 H2O C2097 49.851 57.052 31.884 0.00 0.00 -ATOM 6291 H2 H2O C2097 50.504 58.548 31.855 0.00 0.00 -ATOM 6292 O1 H2O C2098 24.204 52.418 33.614 0.00 0.00 -ATOM 6293 H1 H2O C2098 24.755 52.534 34.440 0.00 0.00 -ATOM 6294 H2 H2O C2098 24.088 53.303 33.163 0.00 0.00 -ATOM 6295 O1 H2O C2099 30.208 45.373 5.340 0.00 0.00 -ATOM 6296 H1 H2O C2099 30.402 45.302 4.362 0.00 0.00 -ATOM 6297 H2 H2O C2099 31.018 45.104 5.861 0.00 0.00 -ATOM 6298 O1 H2O C2100 50.638 0.662 22.714 0.00 0.00 -ATOM 6299 H1 H2O C2100 51.457 1.102 22.343 0.00 0.00 -ATOM 6300 H2 H2O C2100 50.800 0.408 23.667 0.00 0.00 -ATOM 6301 O1 H2O C2101 33.649 39.519 4.114 0.00 0.00 -ATOM 6302 H1 H2O C2101 34.623 39.561 3.888 0.00 0.00 -ATOM 6303 H2 H2O C2101 33.293 38.613 3.885 0.00 0.00 -ATOM 6304 O1 H2O C2102 25.441 54.956 36.859 0.00 0.00 -ATOM 6305 H1 H2O C2102 25.509 55.058 35.867 0.00 0.00 -ATOM 6306 H2 H2O C2102 26.357 54.840 37.246 0.00 0.00 -ATOM 6307 O1 H2O C2103 45.026 27.312 57.230 0.00 0.00 -ATOM 6308 H1 H2O C2103 45.196 27.941 56.472 0.00 0.00 -ATOM 6309 H2 H2O C2103 45.052 27.816 58.094 0.00 0.00 -ATOM 6310 O1 H2O C2104 48.604 48.182 32.938 0.00 0.00 -ATOM 6311 H1 H2O C2104 48.422 47.534 32.198 0.00 0.00 -ATOM 6312 H2 H2O C2104 49.558 48.099 33.226 0.00 0.00 -ATOM 6313 O1 H2O C2105 29.501 12.797 53.888 0.00 0.00 -ATOM 6314 H1 H2O C2105 29.878 12.150 53.224 0.00 0.00 -ATOM 6315 H2 H2O C2105 28.676 12.408 54.299 0.00 0.00 -ATOM 6316 O1 H2O C2106 41.856 49.142 4.713 0.00 0.00 -ATOM 6317 H1 H2O C2106 42.356 49.720 5.358 0.00 0.00 -ATOM 6318 H2 H2O C2106 41.260 49.712 4.147 0.00 0.00 -ATOM 6319 O1 H2O C2107 5.327 55.755 30.666 0.00 0.00 -ATOM 6320 H1 H2O C2107 4.892 56.331 29.974 0.00 0.00 -ATOM 6321 H2 H2O C2107 5.574 54.875 30.261 0.00 0.00 -ATOM 6322 O1 H2O C2108 21.645 43.339 1.834 0.00 0.00 -ATOM 6323 H1 H2O C2108 21.453 44.276 1.541 0.00 0.00 -ATOM 6324 H2 H2O C2108 20.863 42.983 2.346 0.00 0.00 -ATOM 6325 O1 H2O C2109 29.347 49.645 56.464 0.00 0.00 -ATOM 6326 H1 H2O C2109 30.344 49.647 56.384 0.00 0.00 -ATOM 6327 H2 H2O C2109 28.943 49.939 55.598 0.00 0.00 -ATOM 6328 O1 H2O C2110 47.227 55.984 25.238 0.00 0.00 -ATOM 6329 H1 H2O C2110 48.042 55.592 24.811 0.00 0.00 -ATOM 6330 H2 H2O C2110 47.301 55.906 26.232 0.00 0.00 -ATOM 6331 O1 H2O C2111 50.106 2.723 11.802 0.00 0.00 -ATOM 6332 H1 H2O C2111 51.058 2.625 12.092 0.00 0.00 -ATOM 6333 H2 H2O C2111 49.618 1.866 11.968 0.00 0.00 -ATOM 6334 O1 H2O C2112 3.277 54.907 0.870 0.00 0.00 -ATOM 6335 H1 H2O C2112 2.467 54.628 0.355 0.00 0.00 -ATOM 6336 H2 H2O C2112 3.218 55.882 1.082 0.00 0.00 -ATOM 6337 O1 H2O C2113 49.736 58.750 51.682 0.00 0.00 -ATOM 6338 H1 H2O C2113 49.148 58.791 52.489 0.00 0.00 -ATOM 6339 H2 H2O C2113 50.474 59.418 51.773 0.00 0.00 -ATOM 6340 O1 H2O C2114 39.058 30.618 15.169 0.00 0.00 -ATOM 6341 H1 H2O C2114 39.191 31.550 14.833 0.00 0.00 -ATOM 6342 H2 H2O C2114 39.788 30.387 15.812 0.00 0.00 -ATOM 6343 O1 H2O C2115 51.917 28.150 39.697 0.00 0.00 -ATOM 6344 H1 H2O C2115 52.550 28.896 39.904 0.00 0.00 -ATOM 6345 H2 H2O C2115 52.280 27.294 40.064 0.00 0.00 -ATOM 6346 O1 H2O C2116 21.904 24.456 55.387 0.00 0.00 -ATOM 6347 H1 H2O C2116 21.083 23.895 55.275 0.00 0.00 -ATOM 6348 H2 H2O C2116 22.583 23.950 55.918 0.00 0.00 -ATOM 6349 O1 H2O C2117 39.451 30.957 53.478 0.00 0.00 -ATOM 6350 H1 H2O C2117 38.901 30.625 52.712 0.00 0.00 -ATOM 6351 H2 H2O C2117 40.389 30.625 53.384 0.00 0.00 -ATOM 6352 O1 H2O C2118 36.013 15.747 31.492 0.00 0.00 -ATOM 6353 H1 H2O C2118 36.572 16.525 31.202 0.00 0.00 -ATOM 6354 H2 H2O C2118 35.379 15.501 30.758 0.00 0.00 -ATOM 6355 O1 H2O C2119 57.249 36.597 21.691 0.00 0.00 -ATOM 6356 H1 H2O C2119 57.958 36.218 22.286 0.00 0.00 -ATOM 6357 H2 H2O C2119 56.731 35.851 21.273 0.00 0.00 -ATOM 6358 O1 H2O C2120 4.656 51.071 32.007 0.00 0.00 -ATOM 6359 H1 H2O C2120 3.941 50.397 32.191 0.00 0.00 -ATOM 6360 H2 H2O C2120 5.000 50.947 31.077 0.00 0.00 -ATOM 6361 O1 H2O C2121 22.079 21.139 59.758 0.00 0.00 -ATOM 6362 H1 H2O C2121 22.934 20.948 59.276 0.00 0.00 -ATOM 6363 H2 H2O C2121 21.521 21.764 59.212 0.00 0.00 -ATOM 6364 O1 H2O C2122 37.985 51.171 57.270 0.00 0.00 -ATOM 6365 H1 H2O C2122 37.390 50.747 57.953 0.00 0.00 -ATOM 6366 H2 H2O C2122 38.939 50.965 57.485 0.00 0.00 -ATOM 6367 O1 H2O C2123 15.901 14.706 49.161 0.00 0.00 -ATOM 6368 H1 H2O C2123 14.918 14.748 49.336 0.00 0.00 -ATOM 6369 H2 H2O C2123 16.208 15.575 48.772 0.00 0.00 -ATOM 6370 O1 H2O C2124 15.790 40.457 10.669 0.00 0.00 -ATOM 6371 H1 H2O C2124 15.193 41.213 10.936 0.00 0.00 -ATOM 6372 H2 H2O C2124 15.498 39.621 11.134 0.00 0.00 -ATOM 6373 O1 H2O C2125 21.371 15.911 27.416 0.00 0.00 -ATOM 6374 H1 H2O C2125 22.065 16.602 27.618 0.00 0.00 -ATOM 6375 H2 H2O C2125 20.534 16.120 27.922 0.00 0.00 -ATOM 6376 O1 H2O C2126 54.886 26.407 18.138 0.00 0.00 -ATOM 6377 H1 H2O C2126 54.115 26.336 17.506 0.00 0.00 -ATOM 6378 H2 H2O C2126 54.721 25.822 18.932 0.00 0.00 -ATOM 6379 O1 H2O C2127 50.298 38.469 0.592 0.00 0.00 -ATOM 6380 H1 H2O C2127 50.599 38.807 -0.300 0.00 0.00 -ATOM 6381 H2 H2O C2127 50.965 37.810 0.941 0.00 0.00 -ATOM 6382 O1 H2O C2128 57.230 54.109 54.627 0.00 0.00 -ATOM 6383 H1 H2O C2128 57.865 54.176 53.857 0.00 0.00 -ATOM 6384 H2 H2O C2128 56.304 53.952 54.283 0.00 0.00 -ATOM 6385 O1 H2O C2129 58.878 26.811 29.392 0.00 0.00 -ATOM 6386 H1 H2O C2129 58.564 26.429 30.261 0.00 0.00 -ATOM 6387 H2 H2O C2129 58.109 26.862 28.754 0.00 0.00 -ATOM 6388 O1 H2O C2130 46.965 55.947 33.699 0.00 0.00 -ATOM 6389 H1 H2O C2130 46.932 56.572 34.479 0.00 0.00 -ATOM 6390 H2 H2O C2130 46.129 56.042 33.159 0.00 0.00 -ATOM 6391 O1 H2O C2131 8.116 55.303 22.368 0.00 0.00 -ATOM 6392 H1 H2O C2131 7.753 54.377 22.267 0.00 0.00 -ATOM 6393 H2 H2O C2131 8.345 55.468 23.327 0.00 0.00 -ATOM 6394 O1 H2O C2132 41.776 28.672 6.057 0.00 0.00 -ATOM 6395 H1 H2O C2132 41.643 27.936 6.721 0.00 0.00 -ATOM 6396 H2 H2O C2132 42.156 28.295 5.213 0.00 0.00 -ATOM 6397 O1 H2O C2133 1.592 41.576 26.040 0.00 0.00 -ATOM 6398 H1 H2O C2133 2.391 41.738 25.460 0.00 0.00 -ATOM 6399 H2 H2O C2133 1.292 42.442 26.441 0.00 0.00 -ATOM 6400 O1 H2O C2134 13.295 51.839 14.876 0.00 0.00 -ATOM 6401 H1 H2O C2134 12.873 51.134 14.306 0.00 0.00 -ATOM 6402 H2 H2O C2134 13.399 51.495 15.809 0.00 0.00 -ATOM 6403 O1 H2O C2135 17.604 22.383 40.991 0.00 0.00 -ATOM 6404 H1 H2O C2135 17.295 23.153 40.434 0.00 0.00 -ATOM 6405 H2 H2O C2135 16.856 21.729 41.100 0.00 0.00 -ATOM 6406 O1 H2O C2136 54.184 40.761 25.411 0.00 0.00 -ATOM 6407 H1 H2O C2136 54.332 41.480 24.733 0.00 0.00 -ATOM 6408 H2 H2O C2136 54.019 41.176 26.306 0.00 0.00 -ATOM 6409 O1 H2O C2137 29.304 17.581 37.064 0.00 0.00 -ATOM 6410 H1 H2O C2137 29.411 17.742 36.083 0.00 0.00 -ATOM 6411 H2 H2O C2137 28.428 17.128 37.233 0.00 0.00 -ATOM 6412 O1 H2O C2138 48.226 34.735 28.543 0.00 0.00 -ATOM 6413 H1 H2O C2138 48.144 35.427 29.260 0.00 0.00 -ATOM 6414 H2 H2O C2138 48.210 33.824 28.956 0.00 0.00 -ATOM 6415 O1 H2O C2139 2.069 55.868 25.587 0.00 0.00 -ATOM 6416 H1 H2O C2139 2.777 55.567 24.948 0.00 0.00 -ATOM 6417 H2 H2O C2139 1.995 55.210 26.337 0.00 0.00 -ATOM 6418 O1 H2O C2140 5.546 44.622 9.436 0.00 0.00 -ATOM 6419 H1 H2O C2140 5.561 44.905 10.395 0.00 0.00 -ATOM 6420 H2 H2O C2140 6.268 43.949 9.275 0.00 0.00 -ATOM 6421 O1 H2O C2141 30.608 56.418 25.030 0.00 0.00 -ATOM 6422 H1 H2O C2141 29.915 56.285 24.323 0.00 0.00 -ATOM 6423 H2 H2O C2141 30.267 57.064 25.714 0.00 0.00 -ATOM 6424 O1 H2O C2142 18.359 58.504 1.563 0.00 0.00 -ATOM 6425 H1 H2O C2142 17.696 58.875 0.912 0.00 0.00 -ATOM 6426 H2 H2O C2142 18.432 57.515 1.437 0.00 0.00 -ATOM 6427 O1 H2O C2143 41.472 9.150 5.472 0.00 0.00 -ATOM 6428 H1 H2O C2143 41.364 8.167 5.326 0.00 0.00 -ATOM 6429 H2 H2O C2143 41.087 9.648 4.695 0.00 0.00 -ATOM 6430 O1 H2O C2144 4.831 34.083 51.401 0.00 0.00 -ATOM 6431 H1 H2O C2144 5.214 33.726 52.252 0.00 0.00 -ATOM 6432 H2 H2O C2144 5.529 34.061 50.685 0.00 0.00 -ATOM 6433 O1 H2O C2145 45.525 56.161 17.444 0.00 0.00 -ATOM 6434 H1 H2O C2145 46.473 56.020 17.160 0.00 0.00 -ATOM 6435 H2 H2O C2145 44.946 55.454 17.038 0.00 0.00 -ATOM 6436 O1 H2O C2146 54.840 58.285 24.590 0.00 0.00 -ATOM 6437 H1 H2O C2146 55.415 57.491 24.390 0.00 0.00 -ATOM 6438 H2 H2O C2146 54.933 58.529 25.555 0.00 0.00 -ATOM 6439 O1 H2O C2147 45.861 20.010 12.017 0.00 0.00 -ATOM 6440 H1 H2O C2147 46.417 20.252 11.222 0.00 0.00 -ATOM 6441 H2 H2O C2147 46.224 20.467 12.829 0.00 0.00 -ATOM 6442 O1 H2O C2148 50.162 51.388 40.531 0.00 0.00 -ATOM 6443 H1 H2O C2148 49.806 51.127 41.428 0.00 0.00 -ATOM 6444 H2 H2O C2148 49.527 51.087 39.819 0.00 0.00 -ATOM 6445 O1 H2O C2149 41.664 5.291 26.062 0.00 0.00 -ATOM 6446 H1 H2O C2149 42.347 4.715 25.614 0.00 0.00 -ATOM 6447 H2 H2O C2149 41.795 6.242 25.784 0.00 0.00 -ATOM 6448 O1 H2O C2150 56.349 10.957 31.753 0.00 0.00 -ATOM 6449 H1 H2O C2150 55.765 10.434 31.132 0.00 0.00 -ATOM 6450 H2 H2O C2150 57.269 10.565 31.754 0.00 0.00 -ATOM 6451 O1 H2O C2151 14.978 17.038 6.835 0.00 0.00 -ATOM 6452 H1 H2O C2151 15.334 17.925 7.130 0.00 0.00 -ATOM 6453 H2 H2O C2151 15.485 16.307 7.291 0.00 0.00 -ATOM 6454 O1 H2O C2152 27.227 37.690 24.079 0.00 0.00 -ATOM 6455 H1 H2O C2152 26.551 36.991 24.314 0.00 0.00 -ATOM 6456 H2 H2O C2152 26.967 38.559 24.498 0.00 0.00 -ATOM 6457 O1 H2O C2153 21.584 15.527 53.446 0.00 0.00 -ATOM 6458 H1 H2O C2153 20.737 16.048 53.344 0.00 0.00 -ATOM 6459 H2 H2O C2153 21.387 14.550 53.358 0.00 0.00 -ATOM 6460 O1 H2O C2154 40.021 45.344 40.768 0.00 0.00 -ATOM 6461 H1 H2O C2154 40.391 45.734 41.612 0.00 0.00 -ATOM 6462 H2 H2O C2154 39.023 45.396 40.786 0.00 0.00 -ATOM 6463 O1 H2O C2155 32.984 59.908 41.858 0.00 0.00 -ATOM 6464 H1 H2O C2155 33.519 60.708 41.587 0.00 0.00 -ATOM 6465 H2 H2O C2155 33.150 59.162 41.213 0.00 0.00 -ATOM 6466 O1 H2O C2156 8.311 9.488 28.188 0.00 0.00 -ATOM 6467 H1 H2O C2156 7.591 9.198 28.818 0.00 0.00 -ATOM 6468 H2 H2O C2156 8.173 9.050 27.300 0.00 0.00 -ATOM 6469 O1 H2O C2157 56.441 21.259 53.430 0.00 0.00 -ATOM 6470 H1 H2O C2157 56.547 22.190 53.080 0.00 0.00 -ATOM 6471 H2 H2O C2157 56.853 21.195 54.339 0.00 0.00 -ATOM 6472 O1 H2O C2158 13.362 54.125 22.351 0.00 0.00 -ATOM 6473 H1 H2O C2158 14.252 54.185 22.804 0.00 0.00 -ATOM 6474 H2 H2O C2158 13.497 53.983 21.370 0.00 0.00 -ATOM 6475 O1 H2O C2159 37.465 23.696 7.076 0.00 0.00 -ATOM 6476 H1 H2O C2159 37.190 22.827 6.664 0.00 0.00 -ATOM 6477 H2 H2O C2159 37.343 23.648 8.067 0.00 0.00 -ATOM 6478 O1 H2O C2160 0.849 25.852 10.657 0.00 0.00 -ATOM 6479 H1 H2O C2160 1.267 25.098 10.150 0.00 0.00 -ATOM 6480 H2 H2O C2160 1.421 26.082 11.444 0.00 0.00 -ATOM 6481 O1 H2O C2161 57.535 36.692 2.021 0.00 0.00 -ATOM 6482 H1 H2O C2161 58.270 36.838 2.683 0.00 0.00 -ATOM 6483 H2 H2O C2161 56.758 36.258 2.475 0.00 0.00 -ATOM 6484 O1 H2O C2162 13.706 2.754 42.501 0.00 0.00 -ATOM 6485 H1 H2O C2162 14.031 3.658 42.227 0.00 0.00 -ATOM 6486 H2 H2O C2162 14.262 2.416 43.261 0.00 0.00 -ATOM 6487 O1 H2O C2163 41.635 27.090 51.771 0.00 0.00 -ATOM 6488 H1 H2O C2163 41.416 27.348 50.830 0.00 0.00 -ATOM 6489 H2 H2O C2163 40.864 27.314 52.366 0.00 0.00 -ATOM 6490 O1 H2O C2164 45.878 44.689 1.585 0.00 0.00 -ATOM 6491 H1 H2O C2164 46.816 45.032 1.631 0.00 0.00 -ATOM 6492 H2 H2O C2164 45.274 45.414 1.253 0.00 0.00 -ATOM 6493 O1 H2O C2165 16.727 8.703 31.941 0.00 0.00 -ATOM 6494 H1 H2O C2165 16.935 7.759 32.197 0.00 0.00 -ATOM 6495 H2 H2O C2165 15.785 8.919 32.201 0.00 0.00 -ATOM 6496 O1 H2O C2166 1.371 16.545 47.872 0.00 0.00 -ATOM 6497 H1 H2O C2166 0.736 15.938 47.395 0.00 0.00 -ATOM 6498 H2 H2O C2166 0.895 17.384 48.137 0.00 0.00 -ATOM 6499 O1 H2O C2167 35.266 52.005 5.113 0.00 0.00 -ATOM 6500 H1 H2O C2167 35.750 51.350 4.532 0.00 0.00 -ATOM 6501 H2 H2O C2167 35.767 52.870 5.128 0.00 0.00 -ATOM 6502 O1 H2O C2168 14.878 57.256 30.019 0.00 0.00 -ATOM 6503 H1 H2O C2168 13.897 57.395 29.881 0.00 0.00 -ATOM 6504 H2 H2O C2168 15.361 57.417 29.158 0.00 0.00 -ATOM 6505 O1 H2O C2169 39.753 18.829 53.055 0.00 0.00 -ATOM 6506 H1 H2O C2169 40.608 19.117 52.624 0.00 0.00 -ATOM 6507 H2 H2O C2169 39.956 18.231 53.831 0.00 0.00 -ATOM 6508 O1 H2O C2170 56.631 32.530 55.425 0.00 0.00 -ATOM 6509 H1 H2O C2170 57.047 32.366 56.319 0.00 0.00 -ATOM 6510 H2 H2O C2170 56.880 33.443 55.104 0.00 0.00 -ATOM 6511 O1 H2O C2171 38.609 2.401 5.107 0.00 0.00 -ATOM 6512 H1 H2O C2171 39.108 2.984 4.465 0.00 0.00 -ATOM 6513 H2 H2O C2171 39.193 1.640 5.388 0.00 0.00 -ATOM 6514 O1 H2O C2172 31.945 47.654 24.999 0.00 0.00 -ATOM 6515 H1 H2O C2172 31.724 46.813 25.492 0.00 0.00 -ATOM 6516 H2 H2O C2172 32.471 47.430 24.178 0.00 0.00 -ATOM 6517 O1 H2O C2173 15.089 47.430 34.188 0.00 0.00 -ATOM 6518 H1 H2O C2173 15.406 47.645 35.112 0.00 0.00 -ATOM 6519 H2 H2O C2173 14.207 46.961 34.239 0.00 0.00 -ATOM 6520 O1 H2O C2174 34.118 27.255 49.777 0.00 0.00 -ATOM 6521 H1 H2O C2174 34.597 27.641 48.989 0.00 0.00 -ATOM 6522 H2 H2O C2174 33.222 27.689 49.867 0.00 0.00 -ATOM 6523 O1 H2O C2175 46.471 25.071 8.268 0.00 0.00 -ATOM 6524 H1 H2O C2175 46.926 25.746 8.848 0.00 0.00 -ATOM 6525 H2 H2O C2175 46.003 24.400 8.842 0.00 0.00 -ATOM 6526 O1 H2O C2176 33.945 8.167 5.770 0.00 0.00 -ATOM 6527 H1 H2O C2176 34.648 8.678 6.266 0.00 0.00 -ATOM 6528 H2 H2O C2176 33.711 8.652 4.928 0.00 0.00 -ATOM 6529 O1 H2O C2177 20.906 14.704 49.865 0.00 0.00 -ATOM 6530 H1 H2O C2177 20.801 15.693 49.967 0.00 0.00 -ATOM 6531 H2 H2O C2177 21.816 14.432 50.180 0.00 0.00 -ATOM 6532 O1 H2O C2178 56.092 37.340 9.533 0.00 0.00 -ATOM 6533 H1 H2O C2178 56.489 37.429 10.446 0.00 0.00 -ATOM 6534 H2 H2O C2178 55.197 37.785 9.514 0.00 0.00 -ATOM 6535 O1 H2O C2179 39.248 57.642 22.227 0.00 0.00 -ATOM 6536 H1 H2O C2179 39.363 58.321 21.502 0.00 0.00 -ATOM 6537 H2 H2O C2179 39.756 57.931 23.038 0.00 0.00 -ATOM 6538 O1 H2O C2180 47.007 26.571 51.905 0.00 0.00 -ATOM 6539 H1 H2O C2180 47.545 27.321 51.520 0.00 0.00 -ATOM 6540 H2 H2O C2180 47.052 25.780 51.294 0.00 0.00 -ATOM 6541 O1 H2O C2181 50.974 5.585 36.688 0.00 0.00 -ATOM 6542 H1 H2O C2181 51.147 5.238 37.610 0.00 0.00 -ATOM 6543 H2 H2O C2181 51.732 5.330 36.088 0.00 0.00 -ATOM 6544 O1 H2O C2182 26.358 51.660 49.011 0.00 0.00 -ATOM 6545 H1 H2O C2182 25.832 50.883 49.356 0.00 0.00 -ATOM 6546 H2 H2O C2182 26.441 51.592 48.017 0.00 0.00 -ATOM 6547 O1 H2O C2183 38.204 30.225 51.359 0.00 0.00 -ATOM 6548 H1 H2O C2183 39.048 30.595 51.746 0.00 0.00 -ATOM 6549 H2 H2O C2183 37.425 30.759 51.688 0.00 0.00 -ATOM 6550 O1 H2O C2184 10.808 45.021 17.324 0.00 0.00 -ATOM 6551 H1 H2O C2184 11.384 44.549 16.658 0.00 0.00 -ATOM 6552 H2 H2O C2184 9.934 44.541 17.408 0.00 0.00 -ATOM 6553 O1 H2O C2185 15.987 55.017 54.012 0.00 0.00 -ATOM 6554 H1 H2O C2185 15.577 54.106 53.982 0.00 0.00 -ATOM 6555 H2 H2O C2185 16.937 54.946 54.316 0.00 0.00 -ATOM 6556 O1 H2O C2186 8.415 57.895 51.123 0.00 0.00 -ATOM 6557 H1 H2O C2186 7.605 58.058 50.560 0.00 0.00 -ATOM 6558 H2 H2O C2186 9.164 57.572 50.545 0.00 0.00 -ATOM 6559 O1 H2O C2187 41.108 47.628 18.605 0.00 0.00 -ATOM 6560 H1 H2O C2187 41.671 47.074 19.218 0.00 0.00 -ATOM 6561 H2 H2O C2187 41.565 47.716 17.720 0.00 0.00 -ATOM 6562 O1 H2O C2188 20.737 48.274 7.166 0.00 0.00 -ATOM 6563 H1 H2O C2188 19.809 47.981 6.937 0.00 0.00 -ATOM 6564 H2 H2O C2188 21.397 47.681 6.705 0.00 0.00 -ATOM 6565 O1 H2O C2189 57.432 21.288 23.111 0.00 0.00 -ATOM 6566 H1 H2O C2189 58.387 21.410 23.381 0.00 0.00 -ATOM 6567 H2 H2O C2189 57.275 21.734 22.230 0.00 0.00 -ATOM 6568 O1 H2O C2190 27.706 13.903 14.750 0.00 0.00 -ATOM 6569 H1 H2O C2190 27.491 14.348 15.619 0.00 0.00 -ATOM 6570 H2 H2O C2190 27.564 12.917 14.838 0.00 0.00 -ATOM 6571 O1 H2O C2191 55.517 53.373 17.634 0.00 0.00 -ATOM 6572 H1 H2O C2191 55.839 52.933 18.472 0.00 0.00 -ATOM 6573 H2 H2O C2191 56.059 54.196 17.461 0.00 0.00 -ATOM 6574 O1 H2O C2192 54.935 45.378 14.656 0.00 0.00 -ATOM 6575 H1 H2O C2192 54.268 44.640 14.758 0.00 0.00 -ATOM 6576 H2 H2O C2192 55.651 45.278 15.346 0.00 0.00 -ATOM 6577 O1 H2O C2193 44.495 54.950 55.589 0.00 0.00 -ATOM 6578 H1 H2O C2193 44.873 55.531 54.868 0.00 0.00 -ATOM 6579 H2 H2O C2193 45.234 54.634 56.184 0.00 0.00 -ATOM 6580 O1 H2O C2194 54.447 42.759 10.621 0.00 0.00 -ATOM 6581 H1 H2O C2194 53.845 43.267 11.236 0.00 0.00 -ATOM 6582 H2 H2O C2194 54.106 41.824 10.517 0.00 0.00 -ATOM 6583 O1 H2O C2195 56.625 30.387 33.473 0.00 0.00 -ATOM 6584 H1 H2O C2195 55.897 29.752 33.732 0.00 0.00 -ATOM 6585 H2 H2O C2195 56.924 30.898 34.278 0.00 0.00 -ATOM 6586 O1 H2O C2196 23.405 52.552 30.799 0.00 0.00 -ATOM 6587 H1 H2O C2196 23.581 52.478 29.817 0.00 0.00 -ATOM 6588 H2 H2O C2196 23.514 53.504 31.086 0.00 0.00 -ATOM 6589 O1 H2O C2197 59.484 39.573 45.644 0.00 0.00 -ATOM 6590 H1 H2O C2197 59.745 39.616 46.609 0.00 0.00 -ATOM 6591 H2 H2O C2197 59.839 40.377 45.166 0.00 0.00 -ATOM 6592 O1 H2O C2198 12.451 8.910 13.615 0.00 0.00 -ATOM 6593 H1 H2O C2198 13.444 8.990 13.526 0.00 0.00 -ATOM 6594 H2 H2O C2198 12.058 8.645 12.734 0.00 0.00 -ATOM 6595 O1 H2O C2199 25.772 28.989 60.054 0.00 0.00 -ATOM 6596 H1 H2O C2199 25.644 28.078 59.662 0.00 0.00 -ATOM 6597 H2 H2O C2199 25.207 29.648 59.558 0.00 0.00 -ATOM 6598 O1 H2O C2200 50.540 10.278 18.315 0.00 0.00 -ATOM 6599 H1 H2O C2200 50.887 9.946 19.193 0.00 0.00 -ATOM 6600 H2 H2O C2200 51.305 10.424 17.688 0.00 0.00 -ATOM 6601 O1 H2O C2201 8.015 19.309 34.754 0.00 0.00 -ATOM 6602 H1 H2O C2201 8.380 19.031 33.866 0.00 0.00 -ATOM 6603 H2 H2O C2201 7.641 20.234 34.685 0.00 0.00 -ATOM 6604 O1 H2O C2202 25.741 18.508 55.649 0.00 0.00 -ATOM 6605 H1 H2O C2202 26.104 18.424 54.721 0.00 0.00 -ATOM 6606 H2 H2O C2202 24.900 17.972 55.727 0.00 0.00 -ATOM 6607 O1 H2O C2203 21.247 54.623 52.247 0.00 0.00 -ATOM 6608 H1 H2O C2203 21.723 55.135 52.962 0.00 0.00 -ATOM 6609 H2 H2O C2203 20.518 54.075 52.658 0.00 0.00 -ATOM 6610 O1 H2O C2204 2.126 19.414 41.189 0.00 0.00 -ATOM 6611 H1 H2O C2204 1.523 19.685 40.438 0.00 0.00 -ATOM 6612 H2 H2O C2204 2.128 18.418 41.273 0.00 0.00 -ATOM 6613 O1 H2O C2205 0.405 58.534 28.439 0.00 0.00 -ATOM 6614 H1 H2O C2205 -0.120 59.153 27.856 0.00 0.00 -ATOM 6615 H2 H2O C2205 1.028 57.992 27.874 0.00 0.00 -ATOM 6616 O1 H2O C2206 42.424 4.166 29.839 0.00 0.00 -ATOM 6617 H1 H2O C2206 42.942 4.170 28.983 0.00 0.00 -ATOM 6618 H2 H2O C2206 42.057 3.250 30.002 0.00 0.00 -ATOM 6619 O1 H2O C2207 10.547 20.527 33.631 0.00 0.00 -ATOM 6620 H1 H2O C2207 10.226 20.619 32.688 0.00 0.00 -ATOM 6621 H2 H2O C2207 11.457 20.933 33.713 0.00 0.00 -ATOM 6622 O1 H2O C2208 1.418 45.754 50.543 0.00 0.00 -ATOM 6623 H1 H2O C2208 1.719 46.477 49.920 0.00 0.00 -ATOM 6624 H2 H2O C2208 0.496 45.461 50.292 0.00 0.00 -ATOM 6625 O1 H2O C2209 23.720 24.390 35.126 0.00 0.00 -ATOM 6626 H1 H2O C2209 23.988 25.337 34.951 0.00 0.00 -ATOM 6627 H2 H2O C2209 23.346 24.315 36.050 0.00 0.00 -ATOM 6628 O1 H2O C2210 30.912 29.432 8.447 0.00 0.00 -ATOM 6629 H1 H2O C2210 31.701 29.157 7.897 0.00 0.00 -ATOM 6630 H2 H2O C2210 30.869 30.430 8.491 0.00 0.00 -ATOM 6631 O1 H2O C2211 42.649 27.269 39.489 0.00 0.00 -ATOM 6632 H1 H2O C2211 42.496 26.866 38.587 0.00 0.00 -ATOM 6633 H2 H2O C2211 42.734 28.262 39.401 0.00 0.00 -ATOM 6634 O1 H2O C2212 46.874 29.102 25.987 0.00 0.00 -ATOM 6635 H1 H2O C2212 47.217 29.790 26.625 0.00 0.00 -ATOM 6636 H2 H2O C2212 47.092 28.189 26.331 0.00 0.00 -ATOM 6637 O1 H2O C2213 42.447 25.248 50.107 0.00 0.00 -ATOM 6638 H1 H2O C2213 42.101 24.514 50.690 0.00 0.00 -ATOM 6639 H2 H2O C2213 42.969 24.855 49.350 0.00 0.00 -ATOM 6640 O1 H2O C2214 24.776 44.469 35.406 0.00 0.00 -ATOM 6641 H1 H2O C2214 25.724 44.788 35.405 0.00 0.00 -ATOM 6642 H2 H2O C2214 24.197 45.143 34.948 0.00 0.00 -ATOM 6643 O1 H2O C2215 16.334 51.801 44.813 0.00 0.00 -ATOM 6644 H1 H2O C2215 16.019 50.885 44.564 0.00 0.00 -ATOM 6645 H2 H2O C2215 15.612 52.465 44.622 0.00 0.00 -ATOM 6646 O1 H2O C2216 16.211 18.060 0.319 0.00 0.00 -ATOM 6647 H1 H2O C2216 15.675 17.659 -0.424 0.00 0.00 -ATOM 6648 H2 H2O C2216 17.151 17.724 0.270 0.00 0.00 -ATOM 6649 O1 H2O C2217 21.263 27.382 24.094 0.00 0.00 -ATOM 6650 H1 H2O C2217 20.491 26.801 23.838 0.00 0.00 -ATOM 6651 H2 H2O C2217 22.087 27.067 23.623 0.00 0.00 -ATOM 6652 O1 H2O C2218 23.390 38.080 21.465 0.00 0.00 -ATOM 6653 H1 H2O C2218 23.173 37.322 22.080 0.00 0.00 -ATOM 6654 H2 H2O C2218 23.665 37.718 20.574 0.00 0.00 -ATOM 6655 O1 H2O C2219 51.571 27.043 26.539 0.00 0.00 -ATOM 6656 H1 H2O C2219 52.111 27.882 26.475 0.00 0.00 -ATOM 6657 H2 H2O C2219 52.184 26.254 26.582 0.00 0.00 -ATOM 6658 O1 H2O C2220 30.425 56.764 57.605 0.00 0.00 -ATOM 6659 H1 H2O C2220 29.646 57.304 57.285 0.00 0.00 -ATOM 6660 H2 H2O C2220 30.454 55.895 57.111 0.00 0.00 -ATOM 6661 O1 H2O C2221 43.125 59.660 6.774 0.00 0.00 -ATOM 6662 H1 H2O C2221 43.882 59.813 6.139 0.00 0.00 -ATOM 6663 H2 H2O C2221 43.372 58.938 7.420 0.00 0.00 -ATOM 6664 O1 H2O C2222 57.332 23.565 1.971 0.00 0.00 -ATOM 6665 H1 H2O C2222 57.740 22.746 2.376 0.00 0.00 -ATOM 6666 H2 H2O C2222 56.806 23.309 1.160 0.00 0.00 -ATOM 6667 O1 H2O C2223 33.244 29.141 38.502 0.00 0.00 -ATOM 6668 H1 H2O C2223 32.901 28.824 39.386 0.00 0.00 -ATOM 6669 H2 H2O C2223 33.215 28.390 37.843 0.00 0.00 -ATOM 6670 O1 H2O C2224 37.820 16.223 38.235 0.00 0.00 -ATOM 6671 H1 H2O C2224 37.170 15.510 37.969 0.00 0.00 -ATOM 6672 H2 H2O C2224 37.951 16.856 37.472 0.00 0.00 -ATOM 6673 O1 H2O C2225 32.653 11.684 47.778 0.00 0.00 -ATOM 6674 H1 H2O C2225 33.489 11.617 47.233 0.00 0.00 -ATOM 6675 H2 H2O C2225 32.860 11.480 48.734 0.00 0.00 -ATOM 6676 O1 H2O C2226 37.121 50.984 56.841 0.00 0.00 -ATOM 6677 H1 H2O C2226 37.774 50.861 56.093 0.00 0.00 -ATOM 6678 H2 H2O C2226 37.086 50.150 57.393 0.00 0.00 -ATOM 6679 O1 H2O C2227 14.038 23.761 49.487 0.00 0.00 -ATOM 6680 H1 H2O C2227 13.259 23.382 49.986 0.00 0.00 -ATOM 6681 H2 H2O C2227 14.486 23.035 48.965 0.00 0.00 -ATOM 6682 O1 H2O C2228 28.031 54.468 24.677 0.00 0.00 -ATOM 6683 H1 H2O C2228 28.973 54.646 24.392 0.00 0.00 -ATOM 6684 H2 H2O C2228 28.026 53.782 25.405 0.00 0.00 -ATOM 6685 O1 H2O C2229 15.136 48.058 18.939 0.00 0.00 -ATOM 6686 H1 H2O C2229 15.501 48.072 19.870 0.00 0.00 -ATOM 6687 H2 H2O C2229 14.820 48.973 18.691 0.00 0.00 -ATOM 6688 O1 H2O C2230 36.952 27.408 32.379 0.00 0.00 -ATOM 6689 H1 H2O C2230 36.052 27.425 32.815 0.00 0.00 -ATOM 6690 H2 H2O C2230 37.619 27.008 33.007 0.00 0.00 -ATOM 6691 O1 H2O C2231 26.566 16.904 25.116 0.00 0.00 -ATOM 6692 H1 H2O C2231 25.918 17.199 25.817 0.00 0.00 -ATOM 6693 H2 H2O C2231 26.539 17.541 24.346 0.00 0.00 -ATOM 6694 O1 H2O C2232 37.267 11.750 10.996 0.00 0.00 -ATOM 6695 H1 H2O C2232 38.261 11.802 10.901 0.00 0.00 -ATOM 6696 H2 H2O C2232 36.860 11.517 10.113 0.00 0.00 -ATOM 6697 O1 H2O C2233 21.310 14.228 58.737 0.00 0.00 -ATOM 6698 H1 H2O C2233 20.443 14.448 59.183 0.00 0.00 -ATOM 6699 H2 H2O C2233 22.011 14.067 59.431 0.00 0.00 -ATOM 6700 O1 H2O C2234 16.018 18.203 37.814 0.00 0.00 -ATOM 6701 H1 H2O C2234 16.687 17.708 37.260 0.00 0.00 -ATOM 6702 H2 H2O C2234 15.418 17.550 38.276 0.00 0.00 -ATOM 6703 O1 H2O C2235 33.548 58.234 2.182 0.00 0.00 -ATOM 6704 H1 H2O C2235 34.350 57.723 1.870 0.00 0.00 -ATOM 6705 H2 H2O C2235 33.211 57.835 3.035 0.00 0.00 -ATOM 6706 O1 H2O C2236 59.724 33.986 33.946 0.00 0.00 -ATOM 6707 H1 H2O C2236 59.653 33.908 34.940 0.00 0.00 -ATOM 6708 H2 H2O C2236 59.737 34.951 33.687 0.00 0.00 -ATOM 6709 O1 H2O C2237 20.349 27.951 56.278 0.00 0.00 -ATOM 6710 H1 H2O C2237 19.804 27.887 57.113 0.00 0.00 -ATOM 6711 H2 H2O C2237 20.905 28.782 56.305 0.00 0.00 -ATOM 6712 O1 H2O C2238 58.500 2.386 57.937 0.00 0.00 -ATOM 6713 H1 H2O C2238 59.343 2.039 57.525 0.00 0.00 -ATOM 6714 H2 H2O C2238 57.711 1.995 57.464 0.00 0.00 -ATOM 6715 O1 H2O C2239 52.909 27.004 33.748 0.00 0.00 -ATOM 6716 H1 H2O C2239 52.232 26.560 33.161 0.00 0.00 -ATOM 6717 H2 H2O C2239 53.819 26.646 33.537 0.00 0.00 -ATOM 6718 O1 H2O C2240 24.522 12.648 39.958 0.00 0.00 -ATOM 6719 H1 H2O C2240 24.741 11.823 39.437 0.00 0.00 -ATOM 6720 H2 H2O C2240 24.261 12.394 40.889 0.00 0.00 -ATOM 6721 O1 H2O C2241 57.835 23.808 50.507 0.00 0.00 -ATOM 6722 H1 H2O C2241 57.235 24.245 49.836 0.00 0.00 -ATOM 6723 H2 H2O C2241 58.587 23.351 50.034 0.00 0.00 -ATOM 6724 O1 H2O C2242 48.999 34.876 13.541 0.00 0.00 -ATOM 6725 H1 H2O C2242 49.718 34.584 14.172 0.00 0.00 -ATOM 6726 H2 H2O C2242 49.090 35.856 13.362 0.00 0.00 -ATOM 6727 O1 H2O C2243 30.722 10.638 39.913 0.00 0.00 -ATOM 6728 H1 H2O C2243 30.247 11.303 39.336 0.00 0.00 -ATOM 6729 H2 H2O C2243 30.077 10.243 40.566 0.00 0.00 -ATOM 6730 O1 H2O C2244 27.211 13.258 24.907 0.00 0.00 -ATOM 6731 H1 H2O C2244 27.747 13.968 25.364 0.00 0.00 -ATOM 6732 H2 H2O C2244 26.261 13.558 24.826 0.00 0.00 -ATOM 6733 O1 H2O C2245 32.074 51.469 52.872 0.00 0.00 -ATOM 6734 H1 H2O C2245 32.189 51.368 53.861 0.00 0.00 -ATOM 6735 H2 H2O C2245 31.911 50.571 52.462 0.00 0.00 -ATOM 6736 O1 H2O C2246 50.199 43.531 34.213 0.00 0.00 -ATOM 6737 H1 H2O C2246 50.457 43.151 33.325 0.00 0.00 -ATOM 6738 H2 H2O C2246 50.979 43.481 34.837 0.00 0.00 -ATOM 6739 O1 H2O C2247 44.269 47.041 45.611 0.00 0.00 -ATOM 6740 H1 H2O C2247 44.049 46.773 46.549 0.00 0.00 -ATOM 6741 H2 H2O C2247 43.597 47.707 45.288 0.00 0.00 -ATOM 6742 O1 H2O C2248 5.405 51.943 28.669 0.00 0.00 -ATOM 6743 H1 H2O C2248 4.503 51.517 28.738 0.00 0.00 -ATOM 6744 H2 H2O C2248 5.326 52.816 28.188 0.00 0.00 -ATOM 6745 O1 H2O C2249 48.562 48.281 29.498 0.00 0.00 -ATOM 6746 H1 H2O C2249 49.023 49.156 29.350 0.00 0.00 -ATOM 6747 H2 H2O C2249 49.236 47.542 29.474 0.00 0.00 -ATOM 6748 O1 H2O C2250 25.988 0.175 40.388 0.00 0.00 -ATOM 6749 H1 H2O C2250 26.280 -0.620 39.857 0.00 0.00 -ATOM 6750 H2 H2O C2250 25.365 0.732 39.838 0.00 0.00 -ATOM 6751 O1 H2O C2251 36.988 56.499 43.444 0.00 0.00 -ATOM 6752 H1 H2O C2251 36.730 57.189 44.121 0.00 0.00 -ATOM 6753 H2 H2O C2251 37.725 55.932 43.811 0.00 0.00 -ATOM 6754 O1 H2O C2252 7.796 47.314 7.023 0.00 0.00 -ATOM 6755 H1 H2O C2252 6.857 47.439 6.701 0.00 0.00 -ATOM 6756 H2 H2O C2252 8.024 48.038 7.674 0.00 0.00 -ATOM 6757 O1 H2O C2253 35.621 14.850 40.815 0.00 0.00 -ATOM 6758 H1 H2O C2253 36.027 15.668 41.222 0.00 0.00 -ATOM 6759 H2 H2O C2253 36.126 14.041 41.118 0.00 0.00 -ATOM 6760 O1 H2O C2254 51.058 46.904 50.360 0.00 0.00 -ATOM 6761 H1 H2O C2254 52.029 46.865 50.593 0.00 0.00 -ATOM 6762 H2 H2O C2254 50.920 46.534 49.442 0.00 0.00 -ATOM 6763 O1 H2O C2255 7.887 25.629 0.602 0.00 0.00 -ATOM 6764 H1 H2O C2255 7.174 26.083 1.137 0.00 0.00 -ATOM 6765 H2 H2O C2255 8.444 25.059 1.206 0.00 0.00 -ATOM 6766 O1 H2O C2256 50.509 7.588 22.175 0.00 0.00 -ATOM 6767 H1 H2O C2256 49.522 7.449 22.106 0.00 0.00 -ATOM 6768 H2 H2O C2256 50.983 6.740 21.937 0.00 0.00 -ATOM 6769 O1 H2O C2257 55.045 42.105 7.048 0.00 0.00 -ATOM 6770 H1 H2O C2257 54.265 42.585 7.449 0.00 0.00 -ATOM 6771 H2 H2O C2257 55.323 42.567 6.206 0.00 0.00 -ATOM 6772 O1 H2O C2258 37.236 40.462 27.946 0.00 0.00 -ATOM 6773 H1 H2O C2258 36.389 40.494 28.477 0.00 0.00 -ATOM 6774 H2 H2O C2258 37.921 41.049 28.377 0.00 0.00 -ATOM 6775 O1 H2O C2259 50.339 34.040 58.655 0.00 0.00 -ATOM 6776 H1 H2O C2259 49.853 33.292 59.107 0.00 0.00 -ATOM 6777 H2 H2O C2259 50.190 34.889 59.163 0.00 0.00 -ATOM 6778 O1 H2O C2260 29.540 41.553 58.926 0.00 0.00 -ATOM 6779 H1 H2O C2260 29.017 41.367 59.758 0.00 0.00 -ATOM 6780 H2 H2O C2260 30.418 41.964 59.168 0.00 0.00 -ATOM 6781 O1 H2O C2261 47.768 7.496 10.858 0.00 0.00 -ATOM 6782 H1 H2O C2261 47.039 7.169 10.258 0.00 0.00 -ATOM 6783 H2 H2O C2261 48.422 6.758 11.023 0.00 0.00 -ATOM 6784 O1 H2O C2262 49.312 23.535 42.527 0.00 0.00 -ATOM 6785 H1 H2O C2262 48.395 23.658 42.146 0.00 0.00 -ATOM 6786 H2 H2O C2262 49.763 22.770 42.067 0.00 0.00 -ATOM 6787 O1 H2O C2263 30.896 29.097 14.561 0.00 0.00 -ATOM 6788 H1 H2O C2263 30.102 28.643 14.964 0.00 0.00 -ATOM 6789 H2 H2O C2263 31.550 29.329 15.281 0.00 0.00 -ATOM 6790 O1 H2O C2264 8.873 56.871 56.793 0.00 0.00 -ATOM 6791 H1 H2O C2264 9.436 56.324 57.413 0.00 0.00 -ATOM 6792 H2 H2O C2264 9.395 57.079 55.966 0.00 0.00 -ATOM 6793 O1 H2O C2265 16.595 53.599 56.116 0.00 0.00 -ATOM 6794 H1 H2O C2265 16.727 53.013 55.317 0.00 0.00 -ATOM 6795 H2 H2O C2265 15.646 53.913 56.146 0.00 0.00 -ATOM 6796 O1 H2O C2266 34.739 50.903 34.423 0.00 0.00 -ATOM 6797 H1 H2O C2266 34.554 50.014 34.841 0.00 0.00 -ATOM 6798 H2 H2O C2266 35.180 50.769 33.535 0.00 0.00 -ATOM 6799 O1 H2O C2267 16.886 22.423 35.754 0.00 0.00 -ATOM 6800 H1 H2O C2267 17.474 21.703 36.121 0.00 0.00 -ATOM 6801 H2 H2O C2267 16.546 22.149 34.854 0.00 0.00 -ATOM 6802 O1 H2O C2268 1.950 6.768 22.389 0.00 0.00 -ATOM 6803 H1 H2O C2268 1.805 5.832 22.709 0.00 0.00 -ATOM 6804 H2 H2O C2268 1.071 7.174 22.138 0.00 0.00 -ATOM 6805 O1 H2O C2269 25.061 47.528 27.722 0.00 0.00 -ATOM 6806 H1 H2O C2269 24.679 46.685 28.099 0.00 0.00 -ATOM 6807 H2 H2O C2269 24.318 48.136 27.444 0.00 0.00 -ATOM 6808 O1 H2O C2270 22.928 17.058 10.119 0.00 0.00 -ATOM 6809 H1 H2O C2270 22.554 17.486 10.942 0.00 0.00 -ATOM 6810 H2 H2O C2270 22.231 17.050 9.402 0.00 0.00 -ATOM 6811 O1 H2O C2271 51.875 18.177 7.112 0.00 0.00 -ATOM 6812 H1 H2O C2271 51.875 18.563 6.190 0.00 0.00 -ATOM 6813 H2 H2O C2271 52.753 18.362 7.552 0.00 0.00 -ATOM 6814 O1 H2O C2272 7.665 35.739 47.715 0.00 0.00 -ATOM 6815 H1 H2O C2272 7.528 36.701 47.479 0.00 0.00 -ATOM 6816 H2 H2O C2272 7.187 35.534 48.569 0.00 0.00 -ATOM 6817 O1 H2O C2273 46.224 51.180 24.732 0.00 0.00 -ATOM 6818 H1 H2O C2273 45.720 50.316 24.716 0.00 0.00 -ATOM 6819 H2 H2O C2273 46.330 51.520 23.797 0.00 0.00 -ATOM 6820 O1 H2O C2274 12.271 0.855 23.373 0.00 0.00 -ATOM 6821 H1 H2O C2274 12.811 0.433 22.644 0.00 0.00 -ATOM 6822 H2 H2O C2274 11.328 0.973 23.063 0.00 0.00 -ATOM 6823 O1 H2O C2275 14.698 48.974 26.216 0.00 0.00 -ATOM 6824 H1 H2O C2275 14.517 48.794 27.183 0.00 0.00 -ATOM 6825 H2 H2O C2275 14.608 49.954 26.037 0.00 0.00 -ATOM 6826 O1 H2O C2276 27.066 10.763 55.607 0.00 0.00 -ATOM 6827 H1 H2O C2276 27.444 11.524 56.134 0.00 0.00 -ATOM 6828 H2 H2O C2276 26.098 10.650 55.833 0.00 0.00 -ATOM 6829 O1 H2O C2277 44.077 24.002 15.122 0.00 0.00 -ATOM 6830 H1 H2O C2277 43.132 24.318 15.212 0.00 0.00 -ATOM 6831 H2 H2O C2277 44.181 23.503 14.262 0.00 0.00 -ATOM 6832 O1 H2O C2278 59.934 54.023 17.181 0.00 0.00 -ATOM 6833 H1 H2O C2278 60.357 53.123 17.285 0.00 0.00 -ATOM 6834 H2 H2O C2278 59.143 53.952 16.573 0.00 0.00 -ATOM 6835 O1 H2O C2279 37.076 29.089 3.963 0.00 0.00 -ATOM 6836 H1 H2O C2279 37.530 29.869 4.393 0.00 0.00 -ATOM 6837 H2 H2O C2279 37.694 28.667 3.299 0.00 0.00 -ATOM 6838 O1 H2O C2280 36.330 42.761 20.723 0.00 0.00 -ATOM 6839 H1 H2O C2280 37.250 42.886 20.352 0.00 0.00 -ATOM 6840 H2 H2O C2280 35.740 43.505 20.410 0.00 0.00 -ATOM 6841 O1 H2O C2281 47.596 8.795 11.196 0.00 0.00 -ATOM 6842 H1 H2O C2281 48.366 9.185 10.690 0.00 0.00 -ATOM 6843 H2 H2O C2281 47.035 9.534 11.570 0.00 0.00 -ATOM 6844 O1 H2O C2282 17.677 15.347 57.566 0.00 0.00 -ATOM 6845 H1 H2O C2282 16.785 15.224 58.001 0.00 0.00 -ATOM 6846 H2 H2O C2282 18.384 15.417 58.270 0.00 0.00 -ATOM 6847 O1 H2O C2283 6.778 7.879 13.517 0.00 0.00 -ATOM 6848 H1 H2O C2283 7.645 7.385 13.576 0.00 0.00 -ATOM 6849 H2 H2O C2283 6.350 7.911 14.420 0.00 0.00 -ATOM 6850 O1 H2O C2284 4.972 13.671 57.224 0.00 0.00 -ATOM 6851 H1 H2O C2284 5.927 13.800 56.956 0.00 0.00 -ATOM 6852 H2 H2O C2284 4.930 13.383 58.181 0.00 0.00 -ATOM 6853 O1 H2O C2285 22.821 9.825 19.551 0.00 0.00 -ATOM 6854 H1 H2O C2285 22.660 10.334 20.397 0.00 0.00 -ATOM 6855 H2 H2O C2285 21.952 9.688 19.075 0.00 0.00 -ATOM 6856 O1 H2O C2286 16.536 51.232 25.643 0.00 0.00 -ATOM 6857 H1 H2O C2286 16.788 51.731 26.472 0.00 0.00 -ATOM 6858 H2 H2O C2286 17.214 51.406 24.929 0.00 0.00 -ATOM 6859 O1 H2O C2287 4.470 32.055 26.407 0.00 0.00 -ATOM 6860 H1 H2O C2287 4.991 31.217 26.570 0.00 0.00 -ATOM 6861 H2 H2O C2287 5.100 32.820 26.280 0.00 0.00 -ATOM 6862 O1 H2O C2288 22.745 33.908 8.465 0.00 0.00 -ATOM 6863 H1 H2O C2288 23.361 33.348 7.909 0.00 0.00 -ATOM 6864 H2 H2O C2288 22.028 33.327 8.852 0.00 0.00 -ATOM 6865 O1 H2O C2289 50.984 28.918 10.681 0.00 0.00 -ATOM 6866 H1 H2O C2289 51.893 29.098 11.057 0.00 0.00 -ATOM 6867 H2 H2O C2289 51.046 28.824 9.687 0.00 0.00 -ATOM 6868 O1 H2O C2290 25.037 49.286 51.963 0.00 0.00 -ATOM 6869 H1 H2O C2290 25.840 49.878 52.031 0.00 0.00 -ATOM 6870 H2 H2O C2290 25.307 48.337 52.129 0.00 0.00 -ATOM 6871 O1 H2O C2291 45.661 23.201 31.292 0.00 0.00 -ATOM 6872 H1 H2O C2291 45.437 23.915 30.628 0.00 0.00 -ATOM 6873 H2 H2O C2291 45.174 23.377 32.147 0.00 0.00 -ATOM 6874 O1 H2O C2292 13.482 50.266 28.211 0.00 0.00 -ATOM 6875 H1 H2O C2292 13.604 49.332 27.874 0.00 0.00 -ATOM 6876 H2 H2O C2292 12.773 50.277 28.916 0.00 0.00 -ATOM 6877 O1 H2O C2293 2.645 58.896 21.499 0.00 0.00 -ATOM 6878 H1 H2O C2293 3.319 58.824 20.763 0.00 0.00 -ATOM 6879 H2 H2O C2293 2.711 59.798 21.924 0.00 0.00 -ATOM 6880 O1 H2O C2294 12.960 13.980 44.126 0.00 0.00 -ATOM 6881 H1 H2O C2294 13.618 14.368 43.481 0.00 0.00 -ATOM 6882 H2 H2O C2294 12.042 14.017 43.730 0.00 0.00 -ATOM 6883 O1 H2O C2295 13.388 32.040 28.506 0.00 0.00 -ATOM 6884 H1 H2O C2295 12.591 31.996 27.903 0.00 0.00 -ATOM 6885 H2 H2O C2295 13.905 32.875 28.314 0.00 0.00 -ATOM 6886 O1 H2O C2296 8.482 42.893 46.142 0.00 0.00 -ATOM 6887 H1 H2O C2296 8.370 42.081 45.569 0.00 0.00 -ATOM 6888 H2 H2O C2296 9.292 42.786 46.718 0.00 0.00 -ATOM 6889 O1 H2O C2297 9.106 17.339 18.137 0.00 0.00 -ATOM 6890 H1 H2O C2297 8.228 17.816 18.101 0.00 0.00 -ATOM 6891 H2 H2O C2297 8.999 16.481 18.639 0.00 0.00 -ATOM 6892 O1 H2O C2298 4.298 24.816 49.500 0.00 0.00 -ATOM 6893 H1 H2O C2298 3.318 24.615 49.531 0.00 0.00 -ATOM 6894 H2 H2O C2298 4.553 25.086 48.571 0.00 0.00 -ATOM 6895 O1 H2O C2299 7.532 8.288 44.128 0.00 0.00 -ATOM 6896 H1 H2O C2299 8.429 7.891 43.932 0.00 0.00 -ATOM 6897 H2 H2O C2299 7.485 9.211 43.746 0.00 0.00 -ATOM 6898 O1 H2O C2300 5.059 54.015 51.256 0.00 0.00 -ATOM 6899 H1 H2O C2300 4.867 53.220 50.680 0.00 0.00 -ATOM 6900 H2 H2O C2300 6.018 54.279 51.151 0.00 0.00 -ATOM 6901 O1 H2O C2301 57.427 25.231 8.921 0.00 0.00 -ATOM 6902 H1 H2O C2301 57.782 25.969 9.494 0.00 0.00 -ATOM 6903 H2 H2O C2301 56.441 25.145 9.061 0.00 0.00 -ATOM 6904 O1 H2O C2302 14.394 51.987 50.555 0.00 0.00 -ATOM 6905 H1 H2O C2302 14.281 52.857 51.035 0.00 0.00 -ATOM 6906 H2 H2O C2302 14.036 51.245 51.122 0.00 0.00 -ATOM 6907 O1 H2O C2303 36.384 52.265 12.376 0.00 0.00 -ATOM 6908 H1 H2O C2303 35.516 52.655 12.068 0.00 0.00 -ATOM 6909 H2 H2O C2303 36.261 51.292 12.571 0.00 0.00 -ATOM 6910 O1 H2O C2304 32.683 27.004 32.194 0.00 0.00 -ATOM 6911 H1 H2O C2304 32.288 27.222 31.301 0.00 0.00 -ATOM 6912 H2 H2O C2304 32.868 27.851 32.692 0.00 0.00 -ATOM 6913 O1 H2O C2305 47.407 17.148 17.905 0.00 0.00 -ATOM 6914 H1 H2O C2305 46.970 16.293 17.626 0.00 0.00 -ATOM 6915 H2 H2O C2305 46.706 17.828 18.117 0.00 0.00 -ATOM 6916 O1 H2O C2306 16.851 32.805 56.065 0.00 0.00 -ATOM 6917 H1 H2O C2306 16.897 33.786 56.255 0.00 0.00 -ATOM 6918 H2 H2O C2306 16.424 32.337 56.838 0.00 0.00 -ATOM 6919 O1 H2O C2307 20.644 23.079 42.412 0.00 0.00 -ATOM 6920 H1 H2O C2307 21.016 23.739 41.759 0.00 0.00 -ATOM 6921 H2 H2O C2307 20.671 23.469 43.332 0.00 0.00 -ATOM 6922 O1 H2O C2308 29.024 32.122 7.582 0.00 0.00 -ATOM 6923 H1 H2O C2308 28.148 32.470 7.248 0.00 0.00 -ATOM 6924 H2 H2O C2308 28.929 31.839 8.536 0.00 0.00 -ATOM 6925 O1 H2O C2309 12.453 48.489 40.896 0.00 0.00 -ATOM 6926 H1 H2O C2309 12.821 49.417 40.950 0.00 0.00 -ATOM 6927 H2 H2O C2309 11.557 48.459 41.341 0.00 0.00 -ATOM 6928 O1 H2O C2310 54.878 26.740 50.242 0.00 0.00 -ATOM 6929 H1 H2O C2310 54.515 26.206 51.006 0.00 0.00 -ATOM 6930 H2 H2O C2310 55.637 27.306 50.562 0.00 0.00 -ATOM 6931 O1 H2O C2311 17.717 6.974 21.399 0.00 0.00 -ATOM 6932 H1 H2O C2311 18.373 6.220 21.361 0.00 0.00 -ATOM 6933 H2 H2O C2311 18.111 7.731 21.920 0.00 0.00 -ATOM 6934 O1 H2O C2312 40.085 38.198 36.578 0.00 0.00 -ATOM 6935 H1 H2O C2312 40.171 39.012 37.154 0.00 0.00 -ATOM 6936 H2 H2O C2312 39.132 38.089 36.296 0.00 0.00 -ATOM 6937 O1 H2O C2313 52.328 2.473 21.819 0.00 0.00 -ATOM 6938 H1 H2O C2313 52.544 3.167 21.131 0.00 0.00 -ATOM 6939 H2 H2O C2313 52.364 2.884 22.730 0.00 0.00 -ATOM 6940 O1 H2O C2314 6.616 47.334 36.605 0.00 0.00 -ATOM 6941 H1 H2O C2314 6.262 47.404 35.672 0.00 0.00 -ATOM 6942 H2 H2O C2314 7.270 48.072 36.770 0.00 0.00 -ATOM 6943 O1 H2O C2315 14.122 45.017 52.077 0.00 0.00 -ATOM 6944 H1 H2O C2315 13.651 44.930 52.955 0.00 0.00 -ATOM 6945 H2 H2O C2315 13.466 44.896 51.333 0.00 0.00 -ATOM 6946 O1 H2O C2316 42.444 43.884 3.040 0.00 0.00 -ATOM 6947 H1 H2O C2316 42.144 42.937 3.150 0.00 0.00 -ATOM 6948 H2 H2O C2316 41.940 44.469 3.676 0.00 0.00 -ATOM 6949 O1 H2O C2317 28.230 2.962 54.601 0.00 0.00 -ATOM 6950 H1 H2O C2317 27.847 2.246 54.017 0.00 0.00 -ATOM 6951 H2 H2O C2317 29.004 2.594 55.116 0.00 0.00 -ATOM 6952 O1 H2O C2318 40.844 43.195 8.130 0.00 0.00 -ATOM 6953 H1 H2O C2318 41.798 43.206 8.430 0.00 0.00 -ATOM 6954 H2 H2O C2318 40.279 43.684 8.795 0.00 0.00 -ATOM 6955 O1 H2O C2319 42.176 42.943 54.048 0.00 0.00 -ATOM 6956 H1 H2O C2319 42.660 42.072 53.961 0.00 0.00 -ATOM 6957 H2 H2O C2319 42.705 43.665 53.602 0.00 0.00 -ATOM 6958 O1 H2O C2320 8.343 9.247 1.076 0.00 0.00 -ATOM 6959 H1 H2O C2320 9.193 8.988 1.535 0.00 0.00 -ATOM 6960 H2 H2O C2320 8.035 10.134 1.420 0.00 0.00 -ATOM 6961 O1 H2O C2321 26.467 42.243 34.225 0.00 0.00 -ATOM 6962 H1 H2O C2321 27.048 41.701 34.833 0.00 0.00 -ATOM 6963 H2 H2O C2321 26.039 42.982 34.745 0.00 0.00 -ATOM 6964 O1 H2O C2322 46.206 58.895 33.228 0.00 0.00 -ATOM 6965 H1 H2O C2322 45.213 58.781 33.197 0.00 0.00 -ATOM 6966 H2 H2O C2322 46.570 58.903 32.297 0.00 0.00 -ATOM 6967 O1 H2O C2323 18.966 13.635 46.960 0.00 0.00 -ATOM 6968 H1 H2O C2323 19.057 12.679 46.682 0.00 0.00 -ATOM 6969 H2 H2O C2323 19.207 14.230 46.192 0.00 0.00 -ATOM 6970 O1 H2O C2324 37.000 54.660 30.143 0.00 0.00 -ATOM 6971 H1 H2O C2324 36.387 53.871 30.172 0.00 0.00 -ATOM 6972 H2 H2O C2324 37.890 54.378 29.785 0.00 0.00 -ATOM 6973 O1 H2O C2325 41.522 56.056 10.790 0.00 0.00 -ATOM 6974 H1 H2O C2325 41.257 56.994 10.569 0.00 0.00 -ATOM 6975 H2 H2O C2325 41.147 55.805 11.683 0.00 0.00 -ATOM 6976 O1 H2O C2326 28.547 3.769 24.661 0.00 0.00 -ATOM 6977 H1 H2O C2326 27.611 3.479 24.460 0.00 0.00 -ATOM 6978 H2 H2O C2326 28.573 4.763 24.762 0.00 0.00 -ATOM 6979 O1 H2O C2327 32.405 37.279 55.586 0.00 0.00 -ATOM 6980 H1 H2O C2327 32.360 36.345 55.233 0.00 0.00 -ATOM 6981 H2 H2O C2327 32.223 37.274 56.569 0.00 0.00 -ATOM 6982 O1 H2O C2328 13.701 34.026 10.193 0.00 0.00 -ATOM 6983 H1 H2O C2328 12.808 33.578 10.210 0.00 0.00 -ATOM 6984 H2 H2O C2328 14.166 33.812 9.334 0.00 0.00 -ATOM 6985 O1 H2O C2329 9.229 29.399 50.657 0.00 0.00 -ATOM 6986 H1 H2O C2329 9.623 28.545 50.997 0.00 0.00 -ATOM 6987 H2 H2O C2329 8.361 29.574 51.122 0.00 0.00 -ATOM 6988 O1 H2O C2330 11.545 30.935 45.168 0.00 0.00 -ATOM 6989 H1 H2O C2330 10.682 31.439 45.202 0.00 0.00 -ATOM 6990 H2 H2O C2330 11.389 30.034 44.763 0.00 0.00 -ATOM 6991 O1 H2O C2331 48.183 4.656 33.160 0.00 0.00 -ATOM 6992 H1 H2O C2331 47.771 4.417 34.039 0.00 0.00 -ATOM 6993 H2 H2O C2331 49.069 5.093 33.316 0.00 0.00 -ATOM 6994 O1 H2O C2332 49.894 38.108 48.336 0.00 0.00 -ATOM 6995 H1 H2O C2332 49.737 38.152 49.322 0.00 0.00 -ATOM 6996 H2 H2O C2332 49.018 38.166 47.856 0.00 0.00 -ATOM 6997 O1 H2O C2333 18.618 55.193 4.115 0.00 0.00 -ATOM 6998 H1 H2O C2333 17.642 55.024 4.250 0.00 0.00 -ATOM 6999 H2 H2O C2333 19.055 55.350 5.001 0.00 0.00 -ATOM 7000 O1 H2O C2334 5.606 4.968 32.022 0.00 0.00 -ATOM 7001 H1 H2O C2334 6.220 5.744 31.877 0.00 0.00 -ATOM 7002 H2 H2O C2334 4.812 5.265 32.551 0.00 0.00 -ATOM 7003 O1 H2O C2335 42.429 31.446 2.108 0.00 0.00 -ATOM 7004 H1 H2O C2335 41.477 31.158 2.004 0.00 0.00 -ATOM 7005 H2 H2O C2335 42.697 32.002 1.321 0.00 0.00 -ATOM 7006 O1 H2O C2336 21.938 8.298 59.724 0.00 0.00 -ATOM 7007 H1 H2O C2336 22.082 8.691 60.632 0.00 0.00 -ATOM 7008 H2 H2O C2336 21.348 8.903 59.189 0.00 0.00 -ATOM 7009 O1 H2O C2337 23.040 28.974 18.339 0.00 0.00 -ATOM 7010 H1 H2O C2337 23.102 28.416 19.166 0.00 0.00 -ATOM 7011 H2 H2O C2337 22.353 28.584 17.725 0.00 0.00 -ATOM 7012 O1 H2O C2338 18.846 21.588 32.456 0.00 0.00 -ATOM 7013 H1 H2O C2338 18.880 21.945 33.389 0.00 0.00 -ATOM 7014 H2 H2O C2338 18.557 22.314 31.832 0.00 0.00 -ATOM 7015 O1 H2O C2339 30.086 20.406 33.647 0.00 0.00 -ATOM 7016 H1 H2O C2339 29.702 19.514 33.409 0.00 0.00 -ATOM 7017 H2 H2O C2339 29.565 20.802 34.403 0.00 0.00 -ATOM 7018 O1 H2O C2340 46.463 40.057 20.446 0.00 0.00 -ATOM 7019 H1 H2O C2340 45.567 39.640 20.293 0.00 0.00 -ATOM 7020 H2 H2O C2340 47.094 39.369 20.802 0.00 0.00 -ATOM 7021 O1 H2O C2341 25.443 38.569 44.103 0.00 0.00 -ATOM 7022 H1 H2O C2341 25.331 39.312 43.444 0.00 0.00 -ATOM 7023 H2 H2O C2341 25.262 38.911 45.025 0.00 0.00 -ATOM 7024 O1 H2O C2342 48.981 18.454 58.779 0.00 0.00 -ATOM 7025 H1 H2O C2342 49.358 19.328 58.472 0.00 0.00 -ATOM 7026 H2 H2O C2342 49.302 18.259 59.706 0.00 0.00 -ATOM 7027 O1 H2O C2343 0.399 10.038 22.893 0.00 0.00 -ATOM 7028 H1 H2O C2343 0.963 9.415 22.351 0.00 0.00 -ATOM 7029 H2 H2O C2343 0.651 9.960 23.858 0.00 0.00 -ATOM 7030 O1 H2O C2344 36.172 50.970 28.510 0.00 0.00 -ATOM 7031 H1 H2O C2344 36.068 50.364 29.299 0.00 0.00 -ATOM 7032 H2 H2O C2344 35.285 51.367 28.276 0.00 0.00 -ATOM 7033 O1 H2O C2345 16.372 37.075 26.637 0.00 0.00 -ATOM 7034 H1 H2O C2345 16.718 36.532 25.871 0.00 0.00 -ATOM 7035 H2 H2O C2345 16.302 38.033 26.360 0.00 0.00 -ATOM 7036 O1 H2O C2346 44.454 3.204 48.659 0.00 0.00 -ATOM 7037 H1 H2O C2346 44.572 2.242 48.902 0.00 0.00 -ATOM 7038 H2 H2O C2346 44.399 3.292 47.664 0.00 0.00 -ATOM 7039 O1 H2O C2347 16.539 24.724 41.329 0.00 0.00 -ATOM 7040 H1 H2O C2347 16.360 25.561 40.812 0.00 0.00 -ATOM 7041 H2 H2O C2347 15.972 23.983 40.969 0.00 0.00 -ATOM 7042 O1 H2O C2348 30.280 11.531 51.155 0.00 0.00 -ATOM 7043 H1 H2O C2348 30.384 12.518 51.037 0.00 0.00 -ATOM 7044 H2 H2O C2348 30.351 11.079 50.266 0.00 0.00 -ATOM 7045 O1 H2O C2349 14.543 9.116 49.329 0.00 0.00 -ATOM 7046 H1 H2O C2349 14.239 8.254 48.924 0.00 0.00 -ATOM 7047 H2 H2O C2349 14.614 9.012 50.321 0.00 0.00 -ATOM 7048 O1 H2O C2350 54.414 47.845 55.091 0.00 0.00 -ATOM 7049 H1 H2O C2350 54.021 47.273 55.811 0.00 0.00 -ATOM 7050 H2 H2O C2350 54.693 48.724 55.479 0.00 0.00 -ATOM 7051 O1 H2O C2351 6.938 56.465 54.971 0.00 0.00 -ATOM 7052 H1 H2O C2351 7.452 57.217 55.383 0.00 0.00 -ATOM 7053 H2 H2O C2351 7.268 56.306 54.041 0.00 0.00 -ATOM 7054 O1 H2O C2352 27.784 33.323 5.225 0.00 0.00 -ATOM 7055 H1 H2O C2352 27.167 32.635 5.609 0.00 0.00 -ATOM 7056 H2 H2O C2352 27.910 33.150 4.248 0.00 0.00 -ATOM 7057 O1 H2O C2353 30.451 1.694 31.291 0.00 0.00 -ATOM 7058 H1 H2O C2353 30.678 1.628 30.320 0.00 0.00 -ATOM 7059 H2 H2O C2353 31.281 1.579 31.837 0.00 0.00 -ATOM 7060 O1 H2O C2354 44.514 24.488 15.740 0.00 0.00 -ATOM 7061 H1 H2O C2354 44.932 23.855 16.392 0.00 0.00 -ATOM 7062 H2 H2O C2354 45.219 25.080 15.352 0.00 0.00 -ATOM 7063 O1 H2O C2355 17.979 39.399 14.623 0.00 0.00 -ATOM 7064 H1 H2O C2355 18.954 39.370 14.846 0.00 0.00 -ATOM 7065 H2 H2O C2355 17.837 39.044 13.699 0.00 0.00 -ATOM 7066 O1 H2O C2356 59.960 1.477 16.226 0.00 0.00 -ATOM 7067 H1 H2O C2356 59.035 1.380 16.593 0.00 0.00 -ATOM 7068 H2 H2O C2356 60.621 1.135 16.895 0.00 0.00 -ATOM 7069 O1 H2O C2357 55.093 3.838 45.575 0.00 0.00 -ATOM 7070 H1 H2O C2357 54.469 4.105 44.840 0.00 0.00 -ATOM 7071 H2 H2O C2357 55.180 2.842 45.593 0.00 0.00 -ATOM 7072 O1 H2O C2358 39.227 32.191 32.234 0.00 0.00 -ATOM 7073 H1 H2O C2358 39.323 31.438 32.886 0.00 0.00 -ATOM 7074 H2 H2O C2358 39.731 31.974 31.398 0.00 0.00 -ATOM 7075 O1 H2O C2359 35.487 49.122 43.450 0.00 0.00 -ATOM 7076 H1 H2O C2359 36.179 49.641 42.947 0.00 0.00 -ATOM 7077 H2 H2O C2359 35.670 48.144 43.356 0.00 0.00 -ATOM 7078 O1 H2O C2360 30.551 36.651 26.426 0.00 0.00 -ATOM 7079 H1 H2O C2360 30.634 36.550 27.417 0.00 0.00 -ATOM 7080 H2 H2O C2360 30.250 37.579 26.209 0.00 0.00 -ATOM 7081 O1 H2O C2361 50.309 22.558 51.746 0.00 0.00 -ATOM 7082 H1 H2O C2361 51.177 22.715 51.273 0.00 0.00 -ATOM 7083 H2 H2O C2361 50.190 21.578 51.907 0.00 0.00 -ATOM 7084 O1 H2O C2362 58.505 10.793 51.377 0.00 0.00 -ATOM 7085 H1 H2O C2362 58.532 11.168 50.450 0.00 0.00 -ATOM 7086 H2 H2O C2362 59.402 10.417 51.611 0.00 0.00 -ATOM 7087 O1 H2O C2363 39.949 30.165 18.682 0.00 0.00 -ATOM 7088 H1 H2O C2363 40.897 30.277 18.981 0.00 0.00 -ATOM 7089 H2 H2O C2363 39.791 30.715 17.862 0.00 0.00 -ATOM 7090 O1 H2O C2364 3.556 59.441 3.177 0.00 0.00 -ATOM 7091 H1 H2O C2364 3.264 59.948 2.366 0.00 0.00 -ATOM 7092 H2 H2O C2364 2.976 58.635 3.294 0.00 0.00 -ATOM 7093 O1 H2O C2365 30.659 42.647 47.807 0.00 0.00 -ATOM 7094 H1 H2O C2365 31.543 42.939 47.442 0.00 0.00 -ATOM 7095 H2 H2O C2365 30.795 42.182 48.681 0.00 0.00 -ATOM 7096 O1 H2O C2366 33.379 24.617 20.724 0.00 0.00 -ATOM 7097 H1 H2O C2366 34.316 24.485 21.049 0.00 0.00 -ATOM 7098 H2 H2O C2366 32.772 23.972 21.187 0.00 0.00 -ATOM 7099 O1 H2O C2367 54.922 53.718 24.195 0.00 0.00 -ATOM 7100 H1 H2O C2367 55.578 54.169 23.591 0.00 0.00 -ATOM 7101 H2 H2O C2367 55.290 53.687 25.124 0.00 0.00 -ATOM 7102 O1 H2O C2368 24.049 32.057 15.654 0.00 0.00 -ATOM 7103 H1 H2O C2368 24.144 31.353 16.357 0.00 0.00 -ATOM 7104 H2 H2O C2368 23.082 32.291 15.546 0.00 0.00 -ATOM 7105 O1 H2O C2369 52.607 50.423 43.996 0.00 0.00 -ATOM 7106 H1 H2O C2369 53.398 50.621 44.574 0.00 0.00 -ATOM 7107 H2 H2O C2369 51.946 51.170 44.067 0.00 0.00 -ATOM 7108 O1 H2O C2370 25.319 22.579 38.732 0.00 0.00 -ATOM 7109 H1 H2O C2370 24.827 22.375 37.886 0.00 0.00 -ATOM 7110 H2 H2O C2370 25.837 23.427 38.620 0.00 0.00 -ATOM 7111 O1 H2O C2371 7.429 23.453 50.693 0.00 0.00 -ATOM 7112 H1 H2O C2371 6.618 23.012 51.079 0.00 0.00 -ATOM 7113 H2 H2O C2371 7.218 23.796 49.778 0.00 0.00 -ATOM 7114 O1 H2O C2372 33.238 2.250 26.101 0.00 0.00 -ATOM 7115 H1 H2O C2372 33.016 1.561 26.791 0.00 0.00 -ATOM 7116 H2 H2O C2372 33.591 3.070 26.552 0.00 0.00 -ATOM 7117 O1 H2O C2373 32.134 38.336 22.121 0.00 0.00 -ATOM 7118 H1 H2O C2373 31.909 38.436 21.152 0.00 0.00 -ATOM 7119 H2 H2O C2373 33.060 37.969 22.212 0.00 0.00 -ATOM 7120 O1 H2O C2374 12.311 34.016 14.954 0.00 0.00 -ATOM 7121 H1 H2O C2374 11.433 33.820 15.390 0.00 0.00 -ATOM 7122 H2 H2O C2374 12.246 34.874 14.444 0.00 0.00 -ATOM 7123 O1 H2O C2375 41.488 22.094 45.676 0.00 0.00 -ATOM 7124 H1 H2O C2375 41.172 21.799 46.578 0.00 0.00 -ATOM 7125 H2 H2O C2375 41.025 21.557 44.969 0.00 0.00 -ATOM 7126 O1 H2O C2376 8.534 15.888 1.851 0.00 0.00 -ATOM 7127 H1 H2O C2376 9.262 16.568 1.764 0.00 0.00 -ATOM 7128 H2 H2O C2376 8.651 15.381 2.704 0.00 0.00 -ATOM 7129 O1 H2O C2377 57.544 3.520 59.449 0.00 0.00 -ATOM 7130 H1 H2O C2377 56.739 3.604 58.861 0.00 0.00 -ATOM 7131 H2 H2O C2377 58.323 3.971 59.013 0.00 0.00 -ATOM 7132 O1 H2O C2378 36.080 58.637 51.795 0.00 0.00 -ATOM 7133 H1 H2O C2378 35.660 59.411 52.269 0.00 0.00 -ATOM 7134 H2 H2O C2378 35.706 58.569 50.871 0.00 0.00 -ATOM 7135 O1 H2O C2379 24.611 50.670 12.822 0.00 0.00 -ATOM 7136 H1 H2O C2379 24.676 49.885 13.438 0.00 0.00 -ATOM 7137 H2 H2O C2379 24.163 51.429 13.295 0.00 0.00 -ATOM 7138 O1 H2O C2380 12.235 29.994 55.737 0.00 0.00 -ATOM 7139 H1 H2O C2380 12.666 29.096 55.643 0.00 0.00 -ATOM 7140 H2 H2O C2380 12.857 30.699 55.397 0.00 0.00 -ATOM 7141 O1 H2O C2381 40.477 40.082 22.036 0.00 0.00 -ATOM 7142 H1 H2O C2381 40.425 41.072 21.911 0.00 0.00 -ATOM 7143 H2 H2O C2381 39.553 39.700 22.064 0.00 0.00 -ATOM 7144 O1 H2O C2382 27.018 5.700 21.186 0.00 0.00 -ATOM 7145 H1 H2O C2382 27.062 4.722 21.391 0.00 0.00 -ATOM 7146 H2 H2O C2382 26.206 5.888 20.633 0.00 0.00 -ATOM 7147 O1 H2O C2383 20.276 31.722 41.054 0.00 0.00 -ATOM 7148 H1 H2O C2383 21.082 32.079 40.582 0.00 0.00 -ATOM 7149 H2 H2O C2383 19.859 32.450 41.597 0.00 0.00 -ATOM 7150 O1 H2O C2384 27.676 30.105 17.976 0.00 0.00 -ATOM 7151 H1 H2O C2384 26.876 30.030 18.571 0.00 0.00 -ATOM 7152 H2 H2O C2384 27.402 29.951 17.027 0.00 0.00 -ATOM 7153 O1 H2O C2385 59.310 3.422 2.605 0.00 0.00 -ATOM 7154 H1 H2O C2385 59.776 4.291 2.436 0.00 0.00 -ATOM 7155 H2 H2O C2385 59.089 2.987 1.732 0.00 0.00 -ATOM 7156 O1 H2O C2386 48.034 15.558 7.907 0.00 0.00 -ATOM 7157 H1 H2O C2386 48.356 15.117 8.745 0.00 0.00 -ATOM 7158 H2 H2O C2386 47.085 15.850 8.028 0.00 0.00 -ATOM 7159 O1 H2O C2387 12.782 22.776 43.088 0.00 0.00 -ATOM 7160 H1 H2O C2387 13.001 22.332 43.957 0.00 0.00 -ATOM 7161 H2 H2O C2387 13.416 23.534 42.932 0.00 0.00 -ATOM 7162 O1 H2O C2388 42.314 59.031 13.896 0.00 0.00 -ATOM 7163 H1 H2O C2388 42.193 60.023 13.900 0.00 0.00 -ATOM 7164 H2 H2O C2388 41.503 58.598 13.502 0.00 0.00 -ATOM 7165 O1 H2O C2389 54.536 34.548 60.052 0.00 0.00 -ATOM 7166 H1 H2O C2389 53.812 34.117 60.590 0.00 0.00 -ATOM 7167 H2 H2O C2389 54.354 34.410 59.078 0.00 0.00 -ATOM 7168 O1 H2O C2390 10.691 23.764 50.320 0.00 0.00 -ATOM 7169 H1 H2O C2390 10.460 23.987 51.267 0.00 0.00 -ATOM 7170 H2 H2O C2390 10.170 24.354 49.703 0.00 0.00 -ATOM 7171 O1 H2O C2391 35.047 58.881 14.140 0.00 0.00 -ATOM 7172 H1 H2O C2391 35.705 58.538 14.810 0.00 0.00 -ATOM 7173 H2 H2O C2391 34.215 59.177 14.610 0.00 0.00 -ATOM 7174 O1 H2O C2392 31.909 56.999 6.748 0.00 0.00 -ATOM 7175 H1 H2O C2392 32.012 57.221 5.779 0.00 0.00 -ATOM 7176 H2 H2O C2392 31.029 56.547 6.896 0.00 0.00 -ATOM 7177 O1 H2O C2393 20.275 54.692 21.336 0.00 0.00 -ATOM 7178 H1 H2O C2393 20.095 54.651 20.353 0.00 0.00 -ATOM 7179 H2 H2O C2393 19.418 54.573 21.837 0.00 0.00 -ATOM 7180 O1 H2O C2394 28.751 0.563 53.344 0.00 0.00 -ATOM 7181 H1 H2O C2394 28.947 0.493 52.366 0.00 0.00 -ATOM 7182 H2 H2O C2394 27.902 1.074 53.478 0.00 0.00 -ATOM 7183 O1 H2O C2395 32.227 26.003 48.128 0.00 0.00 -ATOM 7184 H1 H2O C2395 31.885 25.064 48.095 0.00 0.00 -ATOM 7185 H2 H2O C2395 32.986 26.059 48.777 0.00 0.00 -ATOM 7186 O1 H2O C2396 20.942 3.884 4.570 0.00 0.00 -ATOM 7187 H1 H2O C2396 21.583 4.137 3.845 0.00 0.00 -ATOM 7188 H2 H2O C2396 20.915 2.888 4.658 0.00 0.00 -ATOM 7189 O1 H2O C2397 52.550 38.754 53.074 0.00 0.00 -ATOM 7190 H1 H2O C2397 52.506 38.389 52.144 0.00 0.00 -ATOM 7191 H2 H2O C2397 53.212 39.503 53.106 0.00 0.00 -ATOM 7192 O1 H2O C2398 7.749 51.472 32.748 0.00 0.00 -ATOM 7193 H1 H2O C2398 8.263 50.911 33.396 0.00 0.00 -ATOM 7194 H2 H2O C2398 7.274 52.200 33.241 0.00 0.00 -ATOM 7195 O1 H2O C2399 20.398 7.695 28.156 0.00 0.00 -ATOM 7196 H1 H2O C2399 19.579 7.299 27.739 0.00 0.00 -ATOM 7197 H2 H2O C2399 20.587 8.584 27.740 0.00 0.00 -ATOM 7198 O1 H2O C2400 44.552 51.055 22.031 0.00 0.00 -ATOM 7199 H1 H2O C2400 43.721 51.510 22.350 0.00 0.00 -ATOM 7200 H2 H2O C2400 45.060 51.672 21.430 0.00 0.00 -ATOM 7201 O1 H2O C2401 43.728 49.653 44.310 0.00 0.00 -ATOM 7202 H1 H2O C2401 43.102 50.333 43.928 0.00 0.00 -ATOM 7203 H2 H2O C2401 43.232 48.800 44.475 0.00 0.00 -ATOM 7204 O1 H2O C2402 7.887 11.799 16.966 0.00 0.00 -ATOM 7205 H1 H2O C2402 8.289 11.693 17.875 0.00 0.00 -ATOM 7206 H2 H2O C2402 8.086 12.715 16.618 0.00 0.00 -ATOM 7207 O1 H2O C2403 9.548 31.243 43.857 0.00 0.00 -ATOM 7208 H1 H2O C2403 9.172 31.891 43.195 0.00 0.00 -ATOM 7209 H2 H2O C2403 10.067 31.739 44.553 0.00 0.00 -ATOM 7210 O1 H2O C2404 46.518 2.451 40.780 0.00 0.00 -ATOM 7211 H1 H2O C2404 47.299 2.222 41.362 0.00 0.00 -ATOM 7212 H2 H2O C2404 45.698 2.546 41.345 0.00 0.00 -ATOM 7213 O1 H2O C2405 14.935 37.243 48.121 0.00 0.00 -ATOM 7214 H1 H2O C2405 14.592 36.702 48.889 0.00 0.00 -ATOM 7215 H2 H2O C2405 15.000 38.203 48.393 0.00 0.00 -ATOM 7216 O1 H2O C2406 18.742 37.002 29.899 0.00 0.00 -ATOM 7217 H1 H2O C2406 18.265 37.627 29.281 0.00 0.00 -ATOM 7218 H2 H2O C2406 19.358 36.417 29.371 0.00 0.00 -ATOM 7219 O1 H2O C2407 10.609 20.591 23.212 0.00 0.00 -ATOM 7220 H1 H2O C2407 10.147 20.238 22.398 0.00 0.00 -ATOM 7221 H2 H2O C2407 10.035 20.436 24.016 0.00 0.00 -ATOM 7222 O1 H2O C2408 21.683 50.708 46.461 0.00 0.00 -ATOM 7223 H1 H2O C2408 21.288 51.595 46.701 0.00 0.00 -ATOM 7224 H2 H2O C2408 22.225 50.366 47.229 0.00 0.00 -ATOM 7225 O1 H2O C2409 26.979 39.755 51.751 0.00 0.00 -ATOM 7226 H1 H2O C2409 27.720 40.424 51.815 0.00 0.00 -ATOM 7227 H2 H2O C2409 26.447 39.925 50.922 0.00 0.00 -ATOM 7228 O1 H2O C2410 43.378 56.615 26.596 0.00 0.00 -ATOM 7229 H1 H2O C2410 44.208 56.172 26.258 0.00 0.00 -ATOM 7230 H2 H2O C2410 42.733 55.919 26.912 0.00 0.00 -ATOM 7231 O1 H2O C2411 17.218 33.147 19.266 0.00 0.00 -ATOM 7232 H1 H2O C2411 16.709 33.815 19.810 0.00 0.00 -ATOM 7233 H2 H2O C2411 16.601 32.711 18.612 0.00 0.00 -ATOM 7234 O1 H2O C2412 50.288 55.211 32.373 0.00 0.00 -ATOM 7235 H1 H2O C2412 50.315 56.129 32.769 0.00 0.00 -ATOM 7236 H2 H2O C2412 50.108 55.276 31.392 0.00 0.00 -ATOM 7237 O1 H2O C2413 49.439 56.736 10.792 0.00 0.00 -ATOM 7238 H1 H2O C2413 50.372 56.969 10.516 0.00 0.00 -ATOM 7239 H2 H2O C2413 49.301 56.994 11.749 0.00 0.00 -ATOM 7240 O1 H2O C2414 37.197 34.157 2.420 0.00 0.00 -ATOM 7241 H1 H2O C2414 38.081 33.715 2.576 0.00 0.00 -ATOM 7242 H2 H2O C2414 37.203 34.608 1.527 0.00 0.00 -ATOM 7243 O1 H2O C2415 57.362 38.933 44.988 0.00 0.00 -ATOM 7244 H1 H2O C2415 56.412 39.245 44.998 0.00 0.00 -ATOM 7245 H2 H2O C2415 57.752 39.021 45.905 0.00 0.00 -ATOM 7246 O1 H2O C2416 46.660 7.011 53.447 0.00 0.00 -ATOM 7247 H1 H2O C2416 46.984 6.067 53.515 0.00 0.00 -ATOM 7248 H2 H2O C2416 46.620 7.280 52.485 0.00 0.00 -ATOM 7249 O1 H2O C2417 19.077 29.369 24.552 0.00 0.00 -ATOM 7250 H1 H2O C2417 19.482 29.559 25.446 0.00 0.00 -ATOM 7251 H2 H2O C2417 19.681 28.763 24.034 0.00 0.00 -ATOM 7252 O1 H2O C2418 59.399 49.227 55.015 0.00 0.00 -ATOM 7253 H1 H2O C2418 59.063 48.835 55.871 0.00 0.00 -ATOM 7254 H2 H2O C2418 58.623 49.456 54.426 0.00 0.00 -ATOM 7255 O1 H2O C2419 35.045 18.638 38.361 0.00 0.00 -ATOM 7256 H1 H2O C2419 34.497 17.890 37.987 0.00 0.00 -ATOM 7257 H2 H2O C2419 34.623 19.513 38.121 0.00 0.00 -ATOM 7258 O1 H2O C2420 3.591 30.915 30.123 0.00 0.00 -ATOM 7259 H1 H2O C2420 3.027 31.470 30.735 0.00 0.00 -ATOM 7260 H2 H2O C2420 4.098 30.239 30.658 0.00 0.00 -ATOM 7261 O1 H2O C2421 22.520 47.071 28.787 0.00 0.00 -ATOM 7262 H1 H2O C2421 22.016 47.333 27.964 0.00 0.00 -ATOM 7263 H2 H2O C2421 23.049 46.243 28.605 0.00 0.00 -ATOM 7264 O1 H2O C2422 12.464 5.285 45.393 0.00 0.00 -ATOM 7265 H1 H2O C2422 13.176 4.584 45.341 0.00 0.00 -ATOM 7266 H2 H2O C2422 12.724 6.067 44.825 0.00 0.00 -ATOM 7267 O1 H2O C2423 1.405 47.613 56.885 0.00 0.00 -ATOM 7268 H1 H2O C2423 1.177 46.675 57.147 0.00 0.00 -ATOM 7269 H2 H2O C2423 1.861 47.608 55.995 0.00 0.00 -ATOM 7270 O1 H2O C2424 26.500 34.211 21.963 0.00 0.00 -ATOM 7271 H1 H2O C2424 26.860 34.567 22.825 0.00 0.00 -ATOM 7272 H2 H2O C2424 25.880 34.883 21.558 0.00 0.00 -ATOM 7273 O1 H2O C2425 11.175 2.288 4.390 0.00 0.00 -ATOM 7274 H1 H2O C2425 10.994 3.250 4.593 0.00 0.00 -ATOM 7275 H2 H2O C2425 10.990 2.110 3.424 0.00 0.00 -ATOM 7276 O1 H2O C2426 30.346 28.771 2.118 0.00 0.00 -ATOM 7277 H1 H2O C2426 29.970 28.001 2.635 0.00 0.00 -ATOM 7278 H2 H2O C2426 31.343 28.771 2.199 0.00 0.00 -ATOM 7279 O1 H2O C2427 52.032 44.217 34.090 0.00 0.00 -ATOM 7280 H1 H2O C2427 52.361 44.543 34.977 0.00 0.00 -ATOM 7281 H2 H2O C2427 52.489 44.723 33.359 0.00 0.00 -ATOM 7282 O1 H2O C2428 23.702 1.774 31.252 0.00 0.00 -ATOM 7283 H1 H2O C2428 24.678 1.988 31.293 0.00 0.00 -ATOM 7284 H2 H2O C2428 23.329 2.084 30.377 0.00 0.00 -ATOM 7285 O1 H2O C2429 35.646 10.066 40.577 0.00 0.00 -ATOM 7286 H1 H2O C2429 36.321 10.778 40.379 0.00 0.00 -ATOM 7287 H2 H2O C2429 35.308 9.681 39.718 0.00 0.00 -ATOM 7288 O1 H2O C2430 50.391 28.322 30.039 0.00 0.00 -ATOM 7289 H1 H2O C2430 49.700 27.617 29.881 0.00 0.00 -ATOM 7290 H2 H2O C2430 50.101 28.908 30.795 0.00 0.00 -ATOM 7291 O1 H2O C2431 22.359 47.726 57.300 0.00 0.00 -ATOM 7292 H1 H2O C2431 23.348 47.872 57.315 0.00 0.00 -ATOM 7293 H2 H2O C2431 21.904 48.554 56.974 0.00 0.00 -ATOM 7294 O1 H2O C2432 20.534 34.436 2.665 0.00 0.00 -ATOM 7295 H1 H2O C2432 20.905 34.521 1.740 0.00 0.00 -ATOM 7296 H2 H2O C2432 21.067 33.764 3.178 0.00 0.00 -ATOM 7297 O1 H2O C2433 30.112 21.552 32.921 0.00 0.00 -ATOM 7298 H1 H2O C2433 30.669 20.722 32.919 0.00 0.00 -ATOM 7299 H2 H2O C2433 29.441 21.506 32.181 0.00 0.00 -ATOM 7300 O1 H2O C2434 0.774 12.258 42.575 0.00 0.00 -ATOM 7301 H1 H2O C2434 1.013 13.182 42.874 0.00 0.00 -ATOM 7302 H2 H2O C2434 -0.204 12.215 42.372 0.00 0.00 -ATOM 7303 O1 H2O C2435 44.080 2.645 50.256 0.00 0.00 -ATOM 7304 H1 H2O C2435 43.095 2.704 50.092 0.00 0.00 -ATOM 7305 H2 H2O C2435 44.523 3.478 49.926 0.00 0.00 -ATOM 7306 O1 H2O C2436 31.447 43.303 46.386 0.00 0.00 -ATOM 7307 H1 H2O C2436 31.405 42.384 46.779 0.00 0.00 -ATOM 7308 H2 H2O C2436 30.938 43.322 45.526 0.00 0.00 -ATOM 7309 O1 H2O C2437 56.962 51.345 24.827 0.00 0.00 -ATOM 7310 H1 H2O C2437 56.003 51.366 25.111 0.00 0.00 -ATOM 7311 H2 H2O C2437 57.548 51.519 25.618 0.00 0.00 -ATOM 7312 O1 H2O C2438 3.896 26.330 38.634 0.00 0.00 -ATOM 7313 H1 H2O C2438 3.082 26.890 38.789 0.00 0.00 -ATOM 7314 H2 H2O C2438 3.631 25.370 38.555 0.00 0.00 -ATOM 7315 O1 H2O C2439 50.918 35.925 7.109 0.00 0.00 -ATOM 7316 H1 H2O C2439 50.086 36.364 6.769 0.00 0.00 -ATOM 7317 H2 H2O C2439 50.728 35.491 7.990 0.00 0.00 -ATOM 7318 O1 H2O C2440 53.475 14.492 21.409 0.00 0.00 -ATOM 7319 H1 H2O C2440 53.612 14.937 22.294 0.00 0.00 -ATOM 7320 H2 H2O C2440 54.260 13.907 21.205 0.00 0.00 -ATOM 7321 O1 H2O C2441 40.805 7.170 38.409 0.00 0.00 -ATOM 7322 H1 H2O C2441 41.680 6.819 38.075 0.00 0.00 -ATOM 7323 H2 H2O C2441 40.782 7.116 39.407 0.00 0.00 -ATOM 7324 O1 H2O C2442 17.069 26.421 29.384 0.00 0.00 -ATOM 7325 H1 H2O C2442 17.947 26.253 28.935 0.00 0.00 -ATOM 7326 H2 H2O C2442 17.029 25.907 30.241 0.00 0.00 -ATOM 7327 O1 H2O C2443 19.439 31.512 10.908 0.00 0.00 -ATOM 7328 H1 H2O C2443 18.713 31.290 11.559 0.00 0.00 -ATOM 7329 H2 H2O C2443 19.052 32.020 10.138 0.00 0.00 -ATOM 7330 O1 H2O C2444 12.846 42.709 0.812 0.00 0.00 -ATOM 7331 H1 H2O C2444 13.519 43.443 0.720 0.00 0.00 -ATOM 7332 H2 H2O C2444 12.579 42.620 1.772 0.00 0.00 -ATOM 7333 O1 H2O C2445 28.958 15.069 36.269 0.00 0.00 -ATOM 7334 H1 H2O C2445 28.807 15.081 37.257 0.00 0.00 -ATOM 7335 H2 H2O C2445 29.696 15.702 36.036 0.00 0.00 -ATOM 7336 O1 H2O C2446 9.567 0.827 11.292 0.00 0.00 -ATOM 7337 H1 H2O C2446 9.563 0.480 12.230 0.00 0.00 -ATOM 7338 H2 H2O C2446 9.170 0.142 10.682 0.00 0.00 -ATOM 7339 O1 H2O C2447 53.862 42.374 3.849 0.00 0.00 -ATOM 7340 H1 H2O C2447 54.857 42.319 3.765 0.00 0.00 -ATOM 7341 H2 H2O C2447 53.438 41.712 3.231 0.00 0.00 -ATOM 7342 O1 H2O C2448 38.103 42.265 43.087 0.00 0.00 -ATOM 7343 H1 H2O C2448 38.688 43.077 43.074 0.00 0.00 -ATOM 7344 H2 H2O C2448 37.611 42.223 43.956 0.00 0.00 -ATOM 7345 O1 H2O C2449 38.358 36.570 12.871 0.00 0.00 -ATOM 7346 H1 H2O C2449 38.205 35.593 13.016 0.00 0.00 -ATOM 7347 H2 H2O C2449 38.600 36.731 11.914 0.00 0.00 -ATOM 7348 O1 H2O C2450 39.167 26.012 8.880 0.00 0.00 -ATOM 7349 H1 H2O C2450 39.238 25.581 9.779 0.00 0.00 -ATOM 7350 H2 H2O C2450 39.620 26.904 8.901 0.00 0.00 -ATOM 7351 O1 H2O C2451 46.387 23.180 53.227 0.00 0.00 -ATOM 7352 H1 H2O C2451 46.320 23.783 52.431 0.00 0.00 -ATOM 7353 H2 H2O C2451 45.926 22.315 53.030 0.00 0.00 -ATOM 7354 O1 H2O C2452 9.990 9.748 11.164 0.00 0.00 -ATOM 7355 H1 H2O C2452 9.322 10.177 10.556 0.00 0.00 -ATOM 7356 H2 H2O C2452 9.676 9.822 12.110 0.00 0.00 -ATOM 7357 O1 H2O C2453 29.912 49.353 40.376 0.00 0.00 -ATOM 7358 H1 H2O C2453 29.076 49.798 40.697 0.00 0.00 -ATOM 7359 H2 H2O C2453 30.621 50.043 40.227 0.00 0.00 -ATOM 7360 O1 H2O C2454 54.665 4.522 13.576 0.00 0.00 -ATOM 7361 H1 H2O C2454 54.354 5.417 13.254 0.00 0.00 -ATOM 7362 H2 H2O C2454 54.051 3.812 13.231 0.00 0.00 -ATOM 7363 O1 H2O C2455 0.422 4.062 7.583 0.00 0.00 -ATOM 7364 H1 H2O C2455 1.163 4.685 7.330 0.00 0.00 -ATOM 7365 H2 H2O C2455 0.586 3.165 7.173 0.00 0.00 -ATOM 7366 O1 H2O C2456 41.077 14.541 45.734 0.00 0.00 -ATOM 7367 H1 H2O C2456 40.255 14.120 46.116 0.00 0.00 -ATOM 7368 H2 H2O C2456 40.918 15.519 45.597 0.00 0.00 -ATOM 7369 O1 H2O C2457 15.534 47.637 30.072 0.00 0.00 -ATOM 7370 H1 H2O C2457 15.348 46.681 30.299 0.00 0.00 -ATOM 7371 H2 H2O C2457 15.207 47.830 29.147 0.00 0.00 -ATOM 7372 O1 H2O C2458 27.578 8.725 50.758 0.00 0.00 -ATOM 7373 H1 H2O C2458 27.905 9.525 50.254 0.00 0.00 -ATOM 7374 H2 H2O C2458 28.357 8.235 51.149 0.00 0.00 -ATOM 7375 O1 H2O C2459 0.647 54.016 51.683 0.00 0.00 -ATOM 7376 H1 H2O C2459 1.295 54.475 51.076 0.00 0.00 -ATOM 7377 H2 H2O C2459 0.145 54.699 52.214 0.00 0.00 -ATOM 7378 O1 H2O C2460 0.371 15.391 52.534 0.00 0.00 -ATOM 7379 H1 H2O C2460 0.471 14.911 51.662 0.00 0.00 -ATOM 7380 H2 H2O C2460 1.198 15.924 52.717 0.00 0.00 -ATOM 7381 O1 H2O C2461 34.473 9.677 6.840 0.00 0.00 -ATOM 7382 H1 H2O C2461 33.840 9.169 6.254 0.00 0.00 -ATOM 7383 H2 H2O C2461 35.279 9.113 7.025 0.00 0.00 -ATOM 7384 O1 H2O C2462 5.789 11.587 19.326 0.00 0.00 -ATOM 7385 H1 H2O C2462 6.745 11.563 19.033 0.00 0.00 -ATOM 7386 H2 H2O C2462 5.738 11.909 20.272 0.00 0.00 -ATOM 7387 O1 H2O C2463 33.667 45.528 27.162 0.00 0.00 -ATOM 7388 H1 H2O C2463 32.918 46.183 27.264 0.00 0.00 -ATOM 7389 H2 H2O C2463 33.508 44.743 27.761 0.00 0.00 -ATOM 7390 O1 H2O C2464 30.427 8.366 30.504 0.00 0.00 -ATOM 7391 H1 H2O C2464 30.006 8.197 31.395 0.00 0.00 -ATOM 7392 H2 H2O C2464 31.377 8.649 30.632 0.00 0.00 -ATOM 7393 O1 H2O C2465 8.103 37.355 52.829 0.00 0.00 -ATOM 7394 H1 H2O C2465 8.245 37.425 51.842 0.00 0.00 -ATOM 7395 H2 H2O C2465 8.559 38.118 53.286 0.00 0.00 -ATOM 7396 O1 H2O C2466 10.146 57.812 40.430 0.00 0.00 -ATOM 7397 H1 H2O C2466 11.126 57.630 40.346 0.00 0.00 -ATOM 7398 H2 H2O C2466 9.713 57.077 40.951 0.00 0.00 -ATOM 7399 O1 H2O C2467 0.670 30.457 25.174 0.00 0.00 -ATOM 7400 H1 H2O C2467 1.617 30.426 24.853 0.00 0.00 -ATOM 7401 H2 H2O C2467 0.596 31.108 25.930 0.00 0.00 -ATOM 7402 O1 H2O C2468 4.681 46.697 5.470 0.00 0.00 -ATOM 7403 H1 H2O C2468 4.772 47.630 5.816 0.00 0.00 -ATOM 7404 H2 H2O C2468 3.718 46.428 5.487 0.00 0.00 -ATOM 7405 O1 H2O C2469 10.511 6.423 33.035 0.00 0.00 -ATOM 7406 H1 H2O C2469 11.449 6.204 32.764 0.00 0.00 -ATOM 7407 H2 H2O C2469 10.106 7.042 32.363 0.00 0.00 -ATOM 7408 O1 H2O C2470 44.400 4.597 25.179 0.00 0.00 -ATOM 7409 H1 H2O C2470 43.529 5.088 25.179 0.00 0.00 -ATOM 7410 H2 H2O C2470 44.741 4.523 26.116 0.00 0.00 -ATOM 7411 O1 H2O C2471 31.569 39.277 30.525 0.00 0.00 -ATOM 7412 H1 H2O C2471 30.624 39.447 30.246 0.00 0.00 -ATOM 7413 H2 H2O C2471 32.114 39.027 29.725 0.00 0.00 -ATOM 7414 O1 H2O C2472 31.703 57.261 15.725 0.00 0.00 -ATOM 7415 H1 H2O C2472 31.145 56.470 15.974 0.00 0.00 -ATOM 7416 H2 H2O C2472 31.192 57.845 15.094 0.00 0.00 -ATOM 7417 O1 H2O C2473 33.277 53.795 26.779 0.00 0.00 -ATOM 7418 H1 H2O C2473 33.078 53.404 27.678 0.00 0.00 -ATOM 7419 H2 H2O C2473 33.060 54.771 26.785 0.00 0.00 -ATOM 7420 O1 H2O C2474 30.886 46.963 53.599 0.00 0.00 -ATOM 7421 H1 H2O C2474 31.052 46.251 54.281 0.00 0.00 -ATOM 7422 H2 H2O C2474 29.931 46.925 53.303 0.00 0.00 -ATOM 7423 O1 H2O C2475 15.944 17.366 37.375 0.00 0.00 -ATOM 7424 H1 H2O C2475 16.514 16.551 37.269 0.00 0.00 -ATOM 7425 H2 H2O C2475 15.493 17.343 38.267 0.00 0.00 -ATOM 7426 O1 H2O C2476 55.954 50.887 33.522 0.00 0.00 -ATOM 7427 H1 H2O C2476 55.038 51.199 33.271 0.00 0.00 -ATOM 7428 H2 H2O C2476 56.148 50.019 33.065 0.00 0.00 -ATOM 7429 O1 H2O C2477 33.648 57.621 39.243 0.00 0.00 -ATOM 7430 H1 H2O C2477 33.168 58.243 39.862 0.00 0.00 -ATOM 7431 H2 H2O C2477 33.689 56.710 39.651 0.00 0.00 -ATOM 7432 O1 H2O C2478 40.286 55.358 6.657 0.00 0.00 -ATOM 7433 H1 H2O C2478 39.477 55.514 6.090 0.00 0.00 -ATOM 7434 H2 H2O C2478 40.912 56.132 6.566 0.00 0.00 -ATOM 7435 O1 H2O C2479 9.342 38.882 11.818 0.00 0.00 -ATOM 7436 H1 H2O C2479 9.196 38.112 11.196 0.00 0.00 -ATOM 7437 H2 H2O C2479 8.998 39.721 11.397 0.00 0.00 -ATOM 7438 O1 H2O C2480 53.438 37.497 31.071 0.00 0.00 -ATOM 7439 H1 H2O C2480 54.374 37.770 31.294 0.00 0.00 -ATOM 7440 H2 H2O C2480 53.458 36.693 30.477 0.00 0.00 -ATOM 7441 O1 H2O C2481 58.466 32.501 56.054 0.00 0.00 -ATOM 7442 H1 H2O C2481 59.249 32.779 55.497 0.00 0.00 -ATOM 7443 H2 H2O C2481 58.042 31.690 55.650 0.00 0.00 -ATOM 7444 O1 H2O C2482 9.652 22.594 43.158 0.00 0.00 -ATOM 7445 H1 H2O C2482 10.003 22.769 42.238 0.00 0.00 -ATOM 7446 H2 H2O C2482 10.384 22.226 43.730 0.00 0.00 -ATOM 7447 O1 H2O C2483 22.014 35.304 47.173 0.00 0.00 -ATOM 7448 H1 H2O C2483 22.080 34.308 47.244 0.00 0.00 -ATOM 7449 H2 H2O C2483 21.752 35.554 46.240 0.00 0.00 -ATOM 7450 O1 H2O C2484 25.966 21.695 38.342 0.00 0.00 -ATOM 7451 H1 H2O C2484 26.404 21.425 37.485 0.00 0.00 -ATOM 7452 H2 H2O C2484 26.664 21.820 39.048 0.00 0.00 -ATOM 7453 O1 H2O C2485 2.474 56.546 33.174 0.00 0.00 -ATOM 7454 H1 H2O C2485 3.087 56.746 33.937 0.00 0.00 -ATOM 7455 H2 H2O C2485 2.972 56.042 32.468 0.00 0.00 -ATOM 7456 O1 H2O C2486 1.844 15.031 44.157 0.00 0.00 -ATOM 7457 H1 H2O C2486 2.424 15.621 43.596 0.00 0.00 -ATOM 7458 H2 H2O C2486 0.911 15.390 44.165 0.00 0.00 -ATOM 7459 O1 H2O C2487 49.141 49.664 11.669 0.00 0.00 -ATOM 7460 H1 H2O C2487 49.968 50.211 11.798 0.00 0.00 -ATOM 7461 H2 H2O C2487 48.816 49.768 10.730 0.00 0.00 -ATOM 7462 O1 H2O C2488 2.124 52.240 51.750 0.00 0.00 -ATOM 7463 H1 H2O C2488 1.548 52.385 52.555 0.00 0.00 -ATOM 7464 H2 H2O C2488 2.657 53.067 51.569 0.00 0.00 -ATOM 7465 O1 H2O C2489 27.484 52.009 1.185 0.00 0.00 -ATOM 7466 H1 H2O C2489 28.048 51.786 1.980 0.00 0.00 -ATOM 7467 H2 H2O C2489 27.227 51.167 0.712 0.00 0.00 -ATOM 7468 O1 H2O C2490 17.595 45.292 53.025 0.00 0.00 -ATOM 7469 H1 H2O C2490 18.152 45.051 52.230 0.00 0.00 -ATOM 7470 H2 H2O C2490 16.627 45.263 52.775 0.00 0.00 -ATOM 7471 O1 H2O C2491 2.765 7.207 18.995 0.00 0.00 -ATOM 7472 H1 H2O C2491 2.646 6.435 19.618 0.00 0.00 -ATOM 7473 H2 H2O C2491 2.263 7.998 19.345 0.00 0.00 -ATOM 7474 O1 H2O C2492 8.078 30.546 16.538 0.00 0.00 -ATOM 7475 H1 H2O C2492 7.907 30.233 15.603 0.00 0.00 -ATOM 7476 H2 H2O C2492 7.951 31.536 16.586 0.00 0.00 -ATOM 7477 O1 H2O C2493 23.328 15.078 38.443 0.00 0.00 -ATOM 7478 H1 H2O C2493 23.674 16.016 38.486 0.00 0.00 -ATOM 7479 H2 H2O C2493 23.172 14.738 39.371 0.00 0.00 -ATOM 7480 O1 H2O C2494 17.028 50.434 34.104 0.00 0.00 -ATOM 7481 H1 H2O C2494 16.856 49.483 34.361 0.00 0.00 -ATOM 7482 H2 H2O C2494 17.818 50.779 34.611 0.00 0.00 -ATOM 7483 O1 H2O C2495 31.476 28.545 45.783 0.00 0.00 -ATOM 7484 H1 H2O C2495 31.024 27.824 45.257 0.00 0.00 -ATOM 7485 H2 H2O C2495 32.457 28.534 45.590 0.00 0.00 -ATOM 7486 O1 H2O C2496 32.073 22.605 46.217 0.00 0.00 -ATOM 7487 H1 H2O C2496 32.687 22.268 45.504 0.00 0.00 -ATOM 7488 H2 H2O C2496 32.058 21.957 46.978 0.00 0.00 -ATOM 7489 O1 H2O C2497 42.344 38.934 11.032 0.00 0.00 -ATOM 7490 H1 H2O C2497 41.833 38.346 10.404 0.00 0.00 -ATOM 7491 H2 H2O C2497 43.235 39.152 10.633 0.00 0.00 -ATOM 7492 O1 H2O C2498 29.290 10.751 19.651 0.00 0.00 -ATOM 7493 H1 H2O C2498 30.133 10.302 19.355 0.00 0.00 -ATOM 7494 H2 H2O C2498 28.629 10.746 18.901 0.00 0.00 -ATOM 7495 O1 H2O C2499 51.230 17.366 6.511 0.00 0.00 -ATOM 7496 H1 H2O C2499 50.742 16.826 7.196 0.00 0.00 -ATOM 7497 H2 H2O C2499 50.762 17.289 5.631 0.00 0.00 -ATOM 7498 O1 H2O C2500 7.371 16.201 17.631 0.00 0.00 -ATOM 7499 H1 H2O C2500 6.996 16.116 18.553 0.00 0.00 -ATOM 7500 H2 H2O C2500 7.230 15.345 17.133 0.00 0.00 -ATOM 7501 O1 H2O C2501 45.507 27.002 25.165 0.00 0.00 -ATOM 7502 H1 H2O C2501 46.180 26.570 24.566 0.00 0.00 -ATOM 7503 H2 H2O C2501 44.595 26.651 24.950 0.00 0.00 -ATOM 7504 O1 H2O C2502 22.055 56.398 14.063 0.00 0.00 -ATOM 7505 H1 H2O C2502 22.192 57.022 13.294 0.00 0.00 -ATOM 7506 H2 H2O C2502 22.839 56.454 14.681 0.00 0.00 -ATOM 7507 O1 H2O C2503 38.981 1.644 57.210 0.00 0.00 -ATOM 7508 H1 H2O C2503 39.741 1.059 57.493 0.00 0.00 -ATOM 7509 H2 H2O C2503 39.304 2.586 57.114 0.00 0.00 -ATOM 7510 O1 H2O C2504 54.839 12.964 2.210 0.00 0.00 -ATOM 7511 H1 H2O C2504 54.875 12.685 3.169 0.00 0.00 -ATOM 7512 H2 H2O C2504 55.469 13.725 2.059 0.00 0.00 -ATOM 7513 O1 H2O C2505 30.638 30.659 37.597 0.00 0.00 -ATOM 7514 H1 H2O C2505 29.820 30.995 37.129 0.00 0.00 -ATOM 7515 H2 H2O C2505 31.358 30.485 36.925 0.00 0.00 -ATOM 7516 O1 H2O C2506 35.351 37.583 4.717 0.00 0.00 -ATOM 7517 H1 H2O C2506 35.316 37.222 5.649 0.00 0.00 -ATOM 7518 H2 H2O C2506 35.101 36.862 4.070 0.00 0.00 -ATOM 7519 O1 H2O C2507 16.921 24.947 39.879 0.00 0.00 -ATOM 7520 H1 H2O C2507 17.825 24.999 40.303 0.00 0.00 -ATOM 7521 H2 H2O C2507 17.021 24.883 38.886 0.00 0.00 -ATOM 7522 O1 H2O C2508 23.084 34.632 45.026 0.00 0.00 -ATOM 7523 H1 H2O C2508 22.632 35.249 44.383 0.00 0.00 -ATOM 7524 H2 H2O C2508 24.075 34.733 44.946 0.00 0.00 -ATOM 7525 O1 H2O C2509 16.708 2.131 18.194 0.00 0.00 -ATOM 7526 H1 H2O C2509 16.913 1.308 18.723 0.00 0.00 -ATOM 7527 H2 H2O C2509 15.881 1.983 17.653 0.00 0.00 -ATOM 7528 O1 H2O C2510 10.453 23.054 33.758 0.00 0.00 -ATOM 7529 H1 H2O C2510 10.894 22.745 34.600 0.00 0.00 -ATOM 7530 H2 H2O C2510 9.799 22.363 33.451 0.00 0.00 -ATOM 7531 O1 H2O C2511 27.490 40.751 28.513 0.00 0.00 -ATOM 7532 H1 H2O C2511 28.468 40.859 28.338 0.00 0.00 -ATOM 7533 H2 H2O C2511 27.195 39.846 28.207 0.00 0.00 -ATOM 7534 O1 H2O C2512 52.323 35.443 29.337 0.00 0.00 -ATOM 7535 H1 H2O C2512 52.488 34.495 29.064 0.00 0.00 -ATOM 7536 H2 H2O C2512 52.585 36.055 28.591 0.00 0.00 -ATOM 7537 O1 H2O C2513 48.513 8.087 37.706 0.00 0.00 -ATOM 7538 H1 H2O C2513 48.781 8.629 36.909 0.00 0.00 -ATOM 7539 H2 H2O C2513 47.665 8.453 38.088 0.00 0.00 -ATOM 7540 O1 H2O C2514 16.681 22.926 47.444 0.00 0.00 -ATOM 7541 H1 H2O C2514 15.690 22.897 47.317 0.00 0.00 -ATOM 7542 H2 H2O C2514 16.905 22.676 48.386 0.00 0.00 -ATOM 7543 O1 H2O C2515 42.284 41.676 0.643 0.00 0.00 -ATOM 7544 H1 H2O C2515 42.775 41.212 1.380 0.00 0.00 -ATOM 7545 H2 H2O C2515 41.386 41.968 0.973 0.00 0.00 -ATOM 7546 O1 H2O C2516 46.322 55.651 18.069 0.00 0.00 -ATOM 7547 H1 H2O C2516 46.123 55.755 19.044 0.00 0.00 -ATOM 7548 H2 H2O C2516 47.036 56.301 17.805 0.00 0.00 -ATOM 7549 O1 H2O C2517 23.930 47.058 34.411 0.00 0.00 -ATOM 7550 H1 H2O C2517 24.568 47.296 35.143 0.00 0.00 -ATOM 7551 H2 H2O C2517 23.551 47.895 34.015 0.00 0.00 -ATOM 7552 O1 H2O C2518 55.902 14.082 26.411 0.00 0.00 -ATOM 7553 H1 H2O C2518 55.654 14.733 27.128 0.00 0.00 -ATOM 7554 H2 H2O C2518 56.162 13.211 26.828 0.00 0.00 -ATOM 7555 O1 H2O C2519 3.842 19.805 30.432 0.00 0.00 -ATOM 7556 H1 H2O C2519 2.945 19.402 30.252 0.00 0.00 -ATOM 7557 H2 H2O C2519 4.003 20.559 29.795 0.00 0.00 -ATOM 7558 O1 H2O C2520 35.089 43.383 54.986 0.00 0.00 -ATOM 7559 H1 H2O C2520 35.814 42.746 54.724 0.00 0.00 -ATOM 7560 H2 H2O C2520 34.477 42.940 55.642 0.00 0.00 -ATOM 7561 O1 H2O C2521 43.297 51.218 26.433 0.00 0.00 -ATOM 7562 H1 H2O C2521 43.170 51.841 27.205 0.00 0.00 -ATOM 7563 H2 H2O C2521 44.069 51.528 25.878 0.00 0.00 -ATOM 7564 O1 H2O C2522 22.494 58.998 9.866 0.00 0.00 -ATOM 7565 H1 H2O C2522 22.967 59.665 9.290 0.00 0.00 -ATOM 7566 H2 H2O C2522 22.637 59.228 10.829 0.00 0.00 -ATOM 7567 O1 H2O C2523 27.391 59.853 47.770 0.00 0.00 -ATOM 7568 H1 H2O C2523 26.471 59.720 47.400 0.00 0.00 -ATOM 7569 H2 H2O C2523 28.025 59.225 47.319 0.00 0.00 -ATOM 7570 O1 H2O C2524 58.275 42.268 19.096 0.00 0.00 -ATOM 7571 H1 H2O C2524 58.042 42.998 19.739 0.00 0.00 -ATOM 7572 H2 H2O C2524 57.913 41.399 19.432 0.00 0.00 -ATOM 7573 O1 H2O C2525 19.819 5.899 13.884 0.00 0.00 -ATOM 7574 H1 H2O C2525 20.435 6.614 14.215 0.00 0.00 -ATOM 7575 H2 H2O C2525 20.357 5.135 13.528 0.00 0.00 -ATOM 7576 O1 H2O C2526 38.779 58.191 13.050 0.00 0.00 -ATOM 7577 H1 H2O C2526 38.989 58.747 12.246 0.00 0.00 -ATOM 7578 H2 H2O C2526 37.900 57.733 12.919 0.00 0.00 -ATOM 7579 O1 H2O C2527 32.732 7.176 25.580 0.00 0.00 -ATOM 7580 H1 H2O C2527 33.330 6.739 26.252 0.00 0.00 -ATOM 7581 H2 H2O C2527 32.267 6.473 25.041 0.00 0.00 -ATOM 7582 O1 H2O C2528 17.107 23.390 16.663 0.00 0.00 -ATOM 7583 H1 H2O C2528 16.912 24.133 16.023 0.00 0.00 -ATOM 7584 H2 H2O C2528 17.237 23.766 17.580 0.00 0.00 -ATOM 7585 O1 H2O C2529 45.018 54.566 40.160 0.00 0.00 -ATOM 7586 H1 H2O C2529 45.029 53.570 40.076 0.00 0.00 -ATOM 7587 H2 H2O C2529 45.858 54.944 39.769 0.00 0.00 -ATOM 7588 O1 H2O C2530 53.610 3.506 11.619 0.00 0.00 -ATOM 7589 H1 H2O C2530 54.296 4.233 11.594 0.00 0.00 -ATOM 7590 H2 H2O C2530 52.749 3.872 11.973 0.00 0.00 -ATOM 7591 O1 H2O C2531 54.381 9.739 22.842 0.00 0.00 -ATOM 7592 H1 H2O C2531 53.747 9.530 22.097 0.00 0.00 -ATOM 7593 H2 H2O C2531 54.301 9.041 23.553 0.00 0.00 -ATOM 7594 O1 H2O C2532 46.945 19.060 21.401 0.00 0.00 -ATOM 7595 H1 H2O C2532 46.210 19.016 22.077 0.00 0.00 -ATOM 7596 H2 H2O C2532 46.714 18.480 20.620 0.00 0.00 -ATOM 7597 O1 H2O C2533 5.255 53.972 59.069 0.00 0.00 -ATOM 7598 H1 H2O C2533 6.122 54.286 58.683 0.00 0.00 -ATOM 7599 H2 H2O C2533 4.543 54.651 58.888 0.00 0.00 -ATOM 7600 O1 H2O C2534 49.011 34.593 14.230 0.00 0.00 -ATOM 7601 H1 H2O C2534 49.102 35.388 14.829 0.00 0.00 -ATOM 7602 H2 H2O C2534 48.065 34.522 13.912 0.00 0.00 -ATOM 7603 O1 H2O C2535 8.940 3.145 48.943 0.00 0.00 -ATOM 7604 H1 H2O C2535 8.579 3.760 48.242 0.00 0.00 -ATOM 7605 H2 H2O C2535 9.438 3.676 49.628 0.00 0.00 -ATOM 7606 O1 H2O C2536 16.770 26.752 2.174 0.00 0.00 -ATOM 7607 H1 H2O C2536 17.256 26.390 1.378 0.00 0.00 -ATOM 7608 H2 H2O C2536 15.807 26.890 1.942 0.00 0.00 -ATOM 7609 O1 H2O C2537 33.063 44.445 21.842 0.00 0.00 -ATOM 7610 H1 H2O C2537 33.697 44.917 22.454 0.00 0.00 -ATOM 7611 H2 H2O C2537 32.819 43.558 22.234 0.00 0.00 -ATOM 7612 O1 H2O C2538 5.235 37.923 50.934 0.00 0.00 -ATOM 7613 H1 H2O C2538 5.776 38.155 50.124 0.00 0.00 -ATOM 7614 H2 H2O C2538 4.809 38.752 51.297 0.00 0.00 -ATOM 7615 O1 H2O C2539 49.887 39.435 36.768 0.00 0.00 -ATOM 7616 H1 H2O C2539 50.617 38.977 36.261 0.00 0.00 -ATOM 7617 H2 H2O C2539 49.356 40.008 36.143 0.00 0.00 -ATOM 7618 O1 H2O C2540 48.511 30.690 21.637 0.00 0.00 -ATOM 7619 H1 H2O C2540 47.613 31.029 21.355 0.00 0.00 -ATOM 7620 H2 H2O C2540 48.922 31.333 22.283 0.00 0.00 -ATOM 7621 O1 H2O C2541 34.839 43.191 40.501 0.00 0.00 -ATOM 7622 H1 H2O C2541 34.206 43.960 40.590 0.00 0.00 -ATOM 7623 H2 H2O C2541 34.580 42.470 41.145 0.00 0.00 -ATOM 7624 O1 H2O C2542 16.016 53.315 17.604 0.00 0.00 -ATOM 7625 H1 H2O C2542 15.284 53.645 18.201 0.00 0.00 -ATOM 7626 H2 H2O C2542 15.635 52.687 16.926 0.00 0.00 -ATOM 7627 O1 H2O C2543 32.724 40.114 32.640 0.00 0.00 -ATOM 7628 H1 H2O C2543 32.335 39.822 33.514 0.00 0.00 -ATOM 7629 H2 H2O C2543 32.844 39.318 32.046 0.00 0.00 -ATOM 7630 O1 H2O C2544 28.184 25.653 28.551 0.00 0.00 -ATOM 7631 H1 H2O C2544 28.808 26.302 28.116 0.00 0.00 -ATOM 7632 H2 H2O C2544 28.663 24.790 28.716 0.00 0.00 -ATOM 7633 O1 H2O C2545 21.845 25.419 2.147 0.00 0.00 -ATOM 7634 H1 H2O C2545 22.461 25.183 1.396 0.00 0.00 -ATOM 7635 H2 H2O C2545 21.010 25.827 1.777 0.00 0.00 -ATOM 7636 O1 H2O C2546 56.037 18.077 45.916 0.00 0.00 -ATOM 7637 H1 H2O C2546 56.564 17.438 45.355 0.00 0.00 -ATOM 7638 H2 H2O C2546 56.573 18.908 46.066 0.00 0.00 -ATOM 7639 O1 H2O C2547 51.943 52.457 6.102 0.00 0.00 -ATOM 7640 H1 H2O C2547 51.035 52.684 6.455 0.00 0.00 -ATOM 7641 H2 H2O C2547 52.249 53.178 5.481 0.00 0.00 -ATOM 7642 O1 H2O C2548 2.842 8.671 18.387 0.00 0.00 -ATOM 7643 H1 H2O C2548 3.443 8.419 17.629 0.00 0.00 -ATOM 7644 H2 H2O C2548 2.462 9.582 18.223 0.00 0.00 -ATOM 7645 O1 H2O C2549 44.743 32.619 1.927 0.00 0.00 -ATOM 7646 H1 H2O C2549 44.385 33.421 2.405 0.00 0.00 -ATOM 7647 H2 H2O C2549 43.989 32.129 1.489 0.00 0.00 -ATOM 7648 O1 H2O C2550 9.282 57.602 39.485 0.00 0.00 -ATOM 7649 H1 H2O C2550 8.434 57.701 38.963 0.00 0.00 -ATOM 7650 H2 H2O C2550 9.077 57.205 40.380 0.00 0.00 -ATOM 7651 O1 H2O C2551 8.917 11.535 38.555 0.00 0.00 -ATOM 7652 H1 H2O C2551 8.601 12.477 38.446 0.00 0.00 -ATOM 7653 H2 H2O C2551 9.068 11.344 39.525 0.00 0.00 -ATOM 7654 O1 H2O C2552 16.423 18.976 28.520 0.00 0.00 -ATOM 7655 H1 H2O C2552 16.893 19.745 28.088 0.00 0.00 -ATOM 7656 H2 H2O C2552 16.545 18.155 27.963 0.00 0.00 -ATOM 7657 O1 H2O C2553 37.511 47.879 50.310 0.00 0.00 -ATOM 7658 H1 H2O C2553 37.052 48.768 50.314 0.00 0.00 -ATOM 7659 H2 H2O C2553 37.792 47.653 49.377 0.00 0.00 -ATOM 7660 O1 H2O C2554 13.164 56.359 2.328 0.00 0.00 -ATOM 7661 H1 H2O C2554 12.377 56.351 1.711 0.00 0.00 -ATOM 7662 H2 H2O C2554 12.864 56.123 3.253 0.00 0.00 -ATOM 7663 O1 H2O C2555 49.591 50.505 25.994 0.00 0.00 -ATOM 7664 H1 H2O C2555 48.771 50.435 25.426 0.00 0.00 -ATOM 7665 H2 H2O C2555 49.672 49.687 26.564 0.00 0.00 -ATOM 7666 O1 H2O C2556 1.686 13.079 56.055 0.00 0.00 -ATOM 7667 H1 H2O C2556 2.206 13.353 56.864 0.00 0.00 -ATOM 7668 H2 H2O C2556 0.733 12.915 56.312 0.00 0.00 -ATOM 7669 O1 H2O C2557 50.381 33.480 50.120 0.00 0.00 -ATOM 7670 H1 H2O C2557 49.403 33.330 49.973 0.00 0.00 -ATOM 7671 H2 H2O C2557 50.511 34.283 50.701 0.00 0.00 -ATOM 7672 O1 H2O C2558 18.185 24.395 55.614 0.00 0.00 -ATOM 7673 H1 H2O C2558 19.124 24.492 55.945 0.00 0.00 -ATOM 7674 H2 H2O C2558 18.193 23.968 54.710 0.00 0.00 -ATOM 7675 O1 H2O C2559 45.294 31.414 3.145 0.00 0.00 -ATOM 7676 H1 H2O C2559 45.287 30.414 3.150 0.00 0.00 -ATOM 7677 H2 H2O C2559 46.089 31.744 3.654 0.00 0.00 -ATOM 7678 O1 H2O C2560 32.472 52.709 16.663 0.00 0.00 -ATOM 7679 H1 H2O C2560 32.289 52.718 15.680 0.00 0.00 -ATOM 7680 H2 H2O C2560 32.100 51.871 17.064 0.00 0.00 -ATOM 7681 O1 H2O C2561 18.749 17.782 59.478 0.00 0.00 -ATOM 7682 H1 H2O C2561 18.892 16.824 59.228 0.00 0.00 -ATOM 7683 H2 H2O C2561 18.373 18.278 58.695 0.00 0.00 -ATOM 7684 O1 H2O C2562 48.073 52.739 15.741 0.00 0.00 -ATOM 7685 H1 H2O C2562 47.278 53.176 16.162 0.00 0.00 -ATOM 7686 H2 H2O C2562 48.130 53.005 14.779 0.00 0.00 -ATOM 7687 O1 H2O C2563 8.882 54.421 6.114 0.00 0.00 -ATOM 7688 H1 H2O C2563 8.177 54.936 6.601 0.00 0.00 -ATOM 7689 H2 H2O C2563 9.472 53.957 6.774 0.00 0.00 -ATOM 7690 O1 H2O C2564 57.350 8.062 35.244 0.00 0.00 -ATOM 7691 H1 H2O C2564 56.646 7.903 34.552 0.00 0.00 -ATOM 7692 H2 H2O C2564 57.499 9.046 35.348 0.00 0.00 -ATOM 7693 O1 H2O C2565 5.116 33.631 5.863 0.00 0.00 -ATOM 7694 H1 H2O C2565 5.594 32.854 6.274 0.00 0.00 -ATOM 7695 H2 H2O C2565 5.455 33.778 4.934 0.00 0.00 -ATOM 7696 O1 H2O C2566 17.940 14.120 37.064 0.00 0.00 -ATOM 7697 H1 H2O C2566 17.948 13.812 38.016 0.00 0.00 -ATOM 7698 H2 H2O C2566 18.268 13.384 36.473 0.00 0.00 -ATOM 7699 O1 H2O C2567 49.614 50.911 26.651 0.00 0.00 -ATOM 7700 H1 H2O C2567 49.458 50.385 27.487 0.00 0.00 -ATOM 7701 H2 H2O C2567 49.811 51.862 26.887 0.00 0.00 -ATOM 7702 O1 H2O C2568 10.127 45.024 46.914 0.00 0.00 -ATOM 7703 H1 H2O C2568 10.630 45.794 47.308 0.00 0.00 -ATOM 7704 H2 H2O C2568 10.137 44.256 47.555 0.00 0.00 -ATOM 7705 O1 H2O C2569 6.088 17.806 57.622 0.00 0.00 -ATOM 7706 H1 H2O C2569 6.395 18.096 58.529 0.00 0.00 -ATOM 7707 H2 H2O C2569 5.199 18.218 57.424 0.00 0.00 -ATOM 7708 O1 H2O C2570 28.244 47.250 31.228 0.00 0.00 -ATOM 7709 H1 H2O C2570 29.040 47.596 30.732 0.00 0.00 -ATOM 7710 H2 H2O C2570 28.042 47.855 31.999 0.00 0.00 -ATOM 7711 O1 H2O C2571 7.948 7.346 23.120 0.00 0.00 -ATOM 7712 H1 H2O C2571 7.134 7.090 23.642 0.00 0.00 -ATOM 7713 H2 H2O C2571 8.591 7.823 23.719 0.00 0.00 -ATOM 7714 O1 H2O C2572 44.988 22.816 45.494 0.00 0.00 -ATOM 7715 H1 H2O C2572 45.866 22.477 45.832 0.00 0.00 -ATOM 7716 H2 H2O C2572 44.291 22.108 45.607 0.00 0.00 -ATOM 7717 O1 H2O C2573 42.017 30.839 7.995 0.00 0.00 -ATOM 7718 H1 H2O C2573 41.658 30.138 7.379 0.00 0.00 -ATOM 7719 H2 H2O C2573 41.988 31.729 7.540 0.00 0.00 -ATOM 7720 O1 H2O C2574 10.452 27.691 30.629 0.00 0.00 -ATOM 7721 H1 H2O C2574 9.748 27.125 31.058 0.00 0.00 -ATOM 7722 H2 H2O C2574 10.558 27.421 29.672 0.00 0.00 -ATOM 7723 O1 H2O C2575 46.107 43.767 19.993 0.00 0.00 -ATOM 7724 H1 H2O C2575 45.440 44.443 19.677 0.00 0.00 -ATOM 7725 H2 H2O C2575 46.385 43.190 19.224 0.00 0.00 -ATOM 7726 O1 H2O C2576 27.963 3.908 7.350 0.00 0.00 -ATOM 7727 H1 H2O C2576 27.503 3.568 6.530 0.00 0.00 -ATOM 7728 H2 H2O C2576 28.893 4.193 7.116 0.00 0.00 -ATOM 7729 O1 H2O C2577 59.410 26.992 30.111 0.00 0.00 -ATOM 7730 H1 H2O C2577 59.085 27.551 29.349 0.00 0.00 -ATOM 7731 H2 H2O C2577 59.050 26.063 30.021 0.00 0.00 -ATOM 7732 O1 H2O C2578 1.271 15.104 20.608 0.00 0.00 -ATOM 7733 H1 H2O C2578 1.458 15.011 21.586 0.00 0.00 -ATOM 7734 H2 H2O C2578 2.122 15.305 20.123 0.00 0.00 -ATOM 7735 O1 H2O C2579 58.219 20.166 12.784 0.00 0.00 -ATOM 7736 H1 H2O C2579 58.240 19.308 12.270 0.00 0.00 -ATOM 7737 H2 H2O C2579 57.995 19.976 13.740 0.00 0.00 -ATOM 7738 O1 H2O C2580 33.466 54.502 1.543 0.00 0.00 -ATOM 7739 H1 H2O C2580 32.691 54.077 1.075 0.00 0.00 -ATOM 7740 H2 H2O C2580 33.631 55.410 1.157 0.00 0.00 -ATOM 7741 O1 H2O C2581 55.520 11.181 19.896 0.00 0.00 -ATOM 7742 H1 H2O C2581 56.405 10.737 19.760 0.00 0.00 -ATOM 7743 H2 H2O C2581 55.636 11.982 20.484 0.00 0.00 -ATOM 7744 O1 H2O C2582 17.069 48.204 31.907 0.00 0.00 -ATOM 7745 H1 H2O C2582 17.298 49.024 32.432 0.00 0.00 -ATOM 7746 H2 H2O C2582 17.395 47.394 32.394 0.00 0.00 -ATOM 7747 O1 H2O C2583 9.580 6.563 40.610 0.00 0.00 -ATOM 7748 H1 H2O C2583 8.863 6.657 39.919 0.00 0.00 -ATOM 7749 H2 H2O C2583 10.273 7.270 40.469 0.00 0.00 -ATOM 7750 O1 H2O C2584 3.436 8.261 22.498 0.00 0.00 -ATOM 7751 H1 H2O C2584 2.497 8.471 22.226 0.00 0.00 -ATOM 7752 H2 H2O C2584 4.070 8.621 21.813 0.00 0.00 -ATOM 7753 O1 H2O C2585 56.338 6.179 39.664 0.00 0.00 -ATOM 7754 H1 H2O C2585 57.037 5.818 39.047 0.00 0.00 -ATOM 7755 H2 H2O C2585 56.422 7.174 39.718 0.00 0.00 -ATOM 7756 O1 H2O C2586 5.455 22.305 51.450 0.00 0.00 -ATOM 7757 H1 H2O C2586 4.787 21.903 52.076 0.00 0.00 -ATOM 7758 H2 H2O C2586 5.069 23.130 51.037 0.00 0.00 -ATOM 7759 O1 H2O C2587 25.663 57.698 21.123 0.00 0.00 -ATOM 7760 H1 H2O C2587 25.306 56.803 21.389 0.00 0.00 -ATOM 7761 H2 H2O C2587 24.929 58.375 21.162 0.00 0.00 -ATOM 7762 O1 H2O C2588 13.315 8.206 41.813 0.00 0.00 -ATOM 7763 H1 H2O C2588 13.339 7.577 42.591 0.00 0.00 -ATOM 7764 H2 H2O C2588 12.369 8.473 41.630 0.00 0.00 -ATOM 7765 O1 H2O C2589 49.962 22.485 0.753 0.00 0.00 -ATOM 7766 H1 H2O C2589 50.809 22.378 0.232 0.00 0.00 -ATOM 7767 H2 H2O C2589 50.180 22.728 1.698 0.00 0.00 -ATOM 7768 O1 H2O C2590 13.880 4.142 40.888 0.00 0.00 -ATOM 7769 H1 H2O C2590 14.092 3.195 41.130 0.00 0.00 -ATOM 7770 H2 H2O C2590 14.435 4.418 40.103 0.00 0.00 -ATOM 7771 O1 H2O C2591 23.529 17.788 15.599 0.00 0.00 -ATOM 7772 H1 H2O C2591 22.587 17.656 15.907 0.00 0.00 -ATOM 7773 H2 H2O C2591 24.120 17.944 16.390 0.00 0.00 -ATOM 7774 O1 H2O C2592 41.326 56.571 50.907 0.00 0.00 -ATOM 7775 H1 H2O C2592 40.446 57.004 50.711 0.00 0.00 -ATOM 7776 H2 H2O C2592 41.982 57.267 51.202 0.00 0.00 -ATOM 7777 O1 H2O C2593 18.677 39.065 8.175 0.00 0.00 -ATOM 7778 H1 H2O C2593 18.240 39.457 7.366 0.00 0.00 -ATOM 7779 H2 H2O C2593 19.324 39.724 8.557 0.00 0.00 -ATOM 7780 O1 H2O C2594 9.374 51.325 50.097 0.00 0.00 -ATOM 7781 H1 H2O C2594 10.319 51.596 50.278 0.00 0.00 -ATOM 7782 H2 H2O C2594 9.047 50.738 50.838 0.00 0.00 -ATOM 7783 O1 H2O C2595 16.097 57.160 16.766 0.00 0.00 -ATOM 7784 H1 H2O C2595 16.325 56.425 17.405 0.00 0.00 -ATOM 7785 H2 H2O C2595 15.418 56.833 16.110 0.00 0.00 -ATOM 7786 O1 H2O C2596 13.598 58.614 35.121 0.00 0.00 -ATOM 7787 H1 H2O C2596 13.247 58.452 36.044 0.00 0.00 -ATOM 7788 H2 H2O C2596 13.001 59.260 34.646 0.00 0.00 -ATOM 7789 O1 H2O C2597 9.602 42.335 5.089 0.00 0.00 -ATOM 7790 H1 H2O C2597 8.710 41.930 5.290 0.00 0.00 -ATOM 7791 H2 H2O C2597 10.259 41.610 4.880 0.00 0.00 -ATOM 7792 O1 H2O C2598 57.153 55.341 12.101 0.00 0.00 -ATOM 7793 H1 H2O C2598 56.624 55.950 11.510 0.00 0.00 -ATOM 7794 H2 H2O C2598 56.649 54.488 12.238 0.00 0.00 -ATOM 7795 O1 H2O C2599 14.484 17.850 1.184 0.00 0.00 -ATOM 7796 H1 H2O C2599 14.844 16.932 1.020 0.00 0.00 -ATOM 7797 H2 H2O C2599 15.234 18.512 1.155 0.00 0.00 -ATOM 7798 O1 H2O C2600 35.973 32.733 49.291 0.00 0.00 -ATOM 7799 H1 H2O C2600 36.377 31.818 49.262 0.00 0.00 -ATOM 7800 H2 H2O C2600 35.434 32.886 48.463 0.00 0.00 -ATOM 7801 O1 H2O C2601 7.030 30.998 52.351 0.00 0.00 -ATOM 7802 H1 H2O C2601 7.616 30.981 51.541 0.00 0.00 -ATOM 7803 H2 H2O C2601 7.592 30.897 53.172 0.00 0.00 -ATOM 7804 O1 H2O C2602 53.997 20.611 54.428 0.00 0.00 -ATOM 7805 H1 H2O C2602 54.008 21.381 53.790 0.00 0.00 -ATOM 7806 H2 H2O C2602 53.057 20.435 54.721 0.00 0.00 -ATOM 7807 O1 H2O C2603 29.603 10.439 22.719 0.00 0.00 -ATOM 7808 H1 H2O C2603 29.240 9.735 22.108 0.00 0.00 -ATOM 7809 H2 H2O C2603 28.847 10.892 23.192 0.00 0.00 -ATOM 7810 O1 H2O C2604 3.240 14.007 41.870 0.00 0.00 -ATOM 7811 H1 H2O C2604 3.546 13.140 42.263 0.00 0.00 -ATOM 7812 H2 H2O C2604 2.241 14.041 41.873 0.00 0.00 -ATOM 7813 O1 H2O C2605 43.308 14.899 34.661 0.00 0.00 -ATOM 7814 H1 H2O C2605 42.930 15.545 33.998 0.00 0.00 -ATOM 7815 H2 H2O C2605 42.618 14.210 34.885 0.00 0.00 -ATOM 7816 O1 H2O C2606 42.132 43.991 51.740 0.00 0.00 -ATOM 7817 H1 H2O C2606 42.557 44.896 51.779 0.00 0.00 -ATOM 7818 H2 H2O C2606 41.397 43.997 51.063 0.00 0.00 -ATOM 7819 O1 H2O C2607 23.954 5.627 45.171 0.00 0.00 -ATOM 7820 H1 H2O C2607 24.697 4.963 45.263 0.00 0.00 -ATOM 7821 H2 H2O C2607 23.689 5.700 44.210 0.00 0.00 -ATOM 7822 O1 H2O C2608 33.004 8.927 48.623 0.00 0.00 -ATOM 7823 H1 H2O C2608 33.648 8.636 49.331 0.00 0.00 -ATOM 7824 H2 H2O C2608 33.001 9.925 48.565 0.00 0.00 -ATOM 7825 O1 H2O C2609 47.924 27.073 41.370 0.00 0.00 -ATOM 7826 H1 H2O C2609 47.254 27.138 40.630 0.00 0.00 -ATOM 7827 H2 H2O C2609 47.633 26.375 42.023 0.00 0.00 -ATOM 7828 O1 H2O C2610 55.033 34.845 28.183 0.00 0.00 -ATOM 7829 H1 H2O C2610 54.411 35.096 27.441 0.00 0.00 -ATOM 7830 H2 H2O C2610 54.747 35.300 29.026 0.00 0.00 -ATOM 7831 O1 H2O C2611 55.303 58.092 43.389 0.00 0.00 -ATOM 7832 H1 H2O C2611 55.489 58.273 44.354 0.00 0.00 -ATOM 7833 H2 H2O C2611 54.318 58.149 43.222 0.00 0.00 -ATOM 7834 O1 H2O C2612 48.529 31.840 3.411 0.00 0.00 -ATOM 7835 H1 H2O C2612 49.063 32.655 3.636 0.00 0.00 -ATOM 7836 H2 H2O C2612 47.604 32.110 3.144 0.00 0.00 -ATOM 7837 O1 H2O C2613 8.424 8.591 58.147 0.00 0.00 -ATOM 7838 H1 H2O C2613 9.315 8.592 57.693 0.00 0.00 -ATOM 7839 H2 H2O C2613 8.529 8.264 59.086 0.00 0.00 -ATOM 7840 O1 H2O C2614 41.030 22.700 48.037 0.00 0.00 -ATOM 7841 H1 H2O C2614 42.019 22.653 47.901 0.00 0.00 -ATOM 7842 H2 H2O C2614 40.668 23.510 47.575 0.00 0.00 -ATOM 7843 O1 H2O C2615 55.430 38.600 1.124 0.00 0.00 -ATOM 7844 H1 H2O C2615 55.854 38.415 0.238 0.00 0.00 -ATOM 7845 H2 H2O C2615 55.357 39.588 1.259 0.00 0.00 -ATOM 7846 O1 H2O C2616 4.295 6.906 44.519 0.00 0.00 -ATOM 7847 H1 H2O C2616 4.969 7.037 45.245 0.00 0.00 -ATOM 7848 H2 H2O C2616 3.861 6.011 44.625 0.00 0.00 -ATOM 7849 O1 H2O C2617 33.269 18.913 3.199 0.00 0.00 -ATOM 7850 H1 H2O C2617 33.257 18.096 2.623 0.00 0.00 -ATOM 7851 H2 H2O C2617 33.186 19.728 2.625 0.00 0.00 -ATOM 7852 O1 H2O C2618 9.244 34.229 48.197 0.00 0.00 -ATOM 7853 H1 H2O C2618 9.331 34.389 49.180 0.00 0.00 -ATOM 7854 H2 H2O C2618 10.118 33.908 47.833 0.00 0.00 -ATOM 7855 O1 H2O C2619 46.116 3.101 10.005 0.00 0.00 -ATOM 7856 H1 H2O C2619 45.208 2.683 10.050 0.00 0.00 -ATOM 7857 H2 H2O C2619 46.813 2.400 10.159 0.00 0.00 -ATOM 7858 O1 H2O C2620 3.444 0.533 7.343 0.00 0.00 -ATOM 7859 H1 H2O C2620 3.514 -0.095 6.569 0.00 0.00 -ATOM 7860 H2 H2O C2620 3.688 0.053 8.186 0.00 0.00 -ATOM 7861 O1 H2O C2621 27.760 28.204 30.530 0.00 0.00 -ATOM 7862 H1 H2O C2621 28.164 28.399 29.637 0.00 0.00 -ATOM 7863 H2 H2O C2621 27.738 27.215 30.676 0.00 0.00 -ATOM 7864 O1 H2O C2622 15.289 17.191 49.830 0.00 0.00 -ATOM 7865 H1 H2O C2622 16.109 17.388 49.293 0.00 0.00 -ATOM 7866 H2 H2O C2622 14.896 18.047 50.165 0.00 0.00 -ATOM 7867 O1 H2O C2623 40.372 52.942 31.719 0.00 0.00 -ATOM 7868 H1 H2O C2623 40.268 52.527 32.623 0.00 0.00 -ATOM 7869 H2 H2O C2623 41.280 52.732 31.358 0.00 0.00 -ATOM 7870 O1 H2O C2624 5.986 10.828 36.350 0.00 0.00 -ATOM 7871 H1 H2O C2624 6.665 10.945 37.075 0.00 0.00 -ATOM 7872 H2 H2O C2624 6.338 11.214 35.498 0.00 0.00 -ATOM 7873 O1 H2O C2625 47.820 45.700 14.165 0.00 0.00 -ATOM 7874 H1 H2O C2625 48.786 45.441 14.174 0.00 0.00 -ATOM 7875 H2 H2O C2625 47.589 46.094 13.275 0.00 0.00 -ATOM 7876 O1 H2O C2626 51.072 6.863 19.232 0.00 0.00 -ATOM 7877 H1 H2O C2626 51.749 7.519 18.898 0.00 0.00 -ATOM 7878 H2 H2O C2626 51.538 6.041 19.559 0.00 0.00 -ATOM 7879 O1 H2O C2627 26.276 22.103 46.576 0.00 0.00 -ATOM 7880 H1 H2O C2627 26.824 21.451 47.101 0.00 0.00 -ATOM 7881 H2 H2O C2627 26.127 21.747 45.654 0.00 0.00 -ATOM 7882 O1 H2O C2628 21.641 47.092 5.441 0.00 0.00 -ATOM 7883 H1 H2O C2628 22.179 47.559 4.740 0.00 0.00 -ATOM 7884 H2 H2O C2628 22.048 47.256 6.339 0.00 0.00 -ATOM 7885 O1 H2O C2629 59.393 16.954 23.221 0.00 0.00 -ATOM 7886 H1 H2O C2629 60.335 17.228 23.415 0.00 0.00 -ATOM 7887 H2 H2O C2629 58.769 17.681 23.508 0.00 0.00 -ATOM 7888 O1 H2O C2630 15.803 20.434 58.352 0.00 0.00 -ATOM 7889 H1 H2O C2630 16.215 21.310 58.102 0.00 0.00 -ATOM 7890 H2 H2O C2630 15.064 20.587 59.008 0.00 0.00 -ATOM 7891 O1 H2O C2631 26.724 55.467 52.438 0.00 0.00 -ATOM 7892 H1 H2O C2631 26.183 56.117 51.904 0.00 0.00 -ATOM 7893 H2 H2O C2631 26.115 54.801 52.868 0.00 0.00 -ATOM 7894 O1 H2O C2632 54.450 7.562 6.799 0.00 0.00 -ATOM 7895 H1 H2O C2632 54.346 7.784 5.830 0.00 0.00 -ATOM 7896 H2 H2O C2632 53.641 7.870 7.300 0.00 0.00 -ATOM 7897 O1 H2O C2633 7.950 25.353 11.438 0.00 0.00 -ATOM 7898 H1 H2O C2633 6.973 25.387 11.227 0.00 0.00 -ATOM 7899 H2 H2O C2633 8.074 25.253 12.426 0.00 0.00 -ATOM 7900 O1 H2O C2634 6.617 39.695 47.259 0.00 0.00 -ATOM 7901 H1 H2O C2634 5.646 39.713 47.022 0.00 0.00 -ATOM 7902 H2 H2O C2634 7.027 40.584 47.054 0.00 0.00 -ATOM 7903 O1 H2O C2635 4.017 20.034 13.218 0.00 0.00 -ATOM 7904 H1 H2O C2635 3.524 19.555 12.492 0.00 0.00 -ATOM 7905 H2 H2O C2635 4.854 19.533 13.440 0.00 0.00 -ATOM 7906 O1 H2O C2636 22.885 59.474 36.487 0.00 0.00 -ATOM 7907 H1 H2O C2636 22.459 59.031 35.699 0.00 0.00 -ATOM 7908 H2 H2O C2636 23.863 59.591 36.316 0.00 0.00 -ATOM 7909 O1 H2O C2637 43.038 3.375 29.490 0.00 0.00 -ATOM 7910 H1 H2O C2637 43.763 3.122 30.130 0.00 0.00 -ATOM 7911 H2 H2O C2637 42.177 2.956 29.779 0.00 0.00 -ATOM 7912 O1 H2O C2638 30.673 27.773 11.351 0.00 0.00 -ATOM 7913 H1 H2O C2638 31.554 27.726 11.821 0.00 0.00 -ATOM 7914 H2 H2O C2638 30.048 28.355 11.871 0.00 0.00 -ATOM 7915 O1 H2O C2639 36.718 14.801 24.048 0.00 0.00 -ATOM 7916 H1 H2O C2639 37.275 14.415 23.313 0.00 0.00 -ATOM 7917 H2 H2O C2639 35.793 14.423 23.999 0.00 0.00 -ATOM 7918 O1 H2O C2640 35.878 1.596 45.186 0.00 0.00 -ATOM 7919 H1 H2O C2640 35.226 1.024 45.683 0.00 0.00 -ATOM 7920 H2 H2O C2640 36.543 1.014 44.717 0.00 0.00 -ATOM 7921 O1 H2O C2641 36.148 0.119 24.529 0.00 0.00 -ATOM 7922 H1 H2O C2641 35.962 1.095 24.634 0.00 0.00 -ATOM 7923 H2 H2O C2641 37.010 -0.107 24.983 0.00 0.00 -ATOM 7924 O1 H2O C2642 29.182 51.551 49.321 0.00 0.00 -ATOM 7925 H1 H2O C2642 29.393 50.807 48.687 0.00 0.00 -ATOM 7926 H2 H2O C2642 28.479 51.251 49.965 0.00 0.00 -ATOM 7927 O1 H2O C2643 49.197 32.802 25.693 0.00 0.00 -ATOM 7928 H1 H2O C2643 49.590 32.355 24.889 0.00 0.00 -ATOM 7929 H2 H2O C2643 48.641 32.144 26.201 0.00 0.00 -ATOM 7930 O1 H2O C2644 6.135 42.120 47.767 0.00 0.00 -ATOM 7931 H1 H2O C2644 5.479 42.035 47.017 0.00 0.00 -ATOM 7932 H2 H2O C2644 7.032 41.797 47.462 0.00 0.00 -ATOM 7933 O1 H2O C2645 40.864 38.368 43.430 0.00 0.00 -ATOM 7934 H1 H2O C2645 40.156 38.215 44.120 0.00 0.00 -ATOM 7935 H2 H2O C2645 41.621 37.734 43.583 0.00 0.00 -ATOM 7936 O1 H2O C2646 54.491 14.069 48.935 0.00 0.00 -ATOM 7937 H1 H2O C2646 54.658 13.655 49.830 0.00 0.00 -ATOM 7938 H2 H2O C2646 54.906 13.502 48.223 0.00 0.00 -ATOM 7939 O1 H2O C2647 19.066 19.589 10.728 0.00 0.00 -ATOM 7940 H1 H2O C2647 20.024 19.830 10.572 0.00 0.00 -ATOM 7941 H2 H2O C2647 18.557 19.678 9.872 0.00 0.00 -ATOM 7942 O1 H2O C2648 55.738 23.841 52.567 0.00 0.00 -ATOM 7943 H1 H2O C2648 56.009 23.148 51.900 0.00 0.00 -ATOM 7944 H2 H2O C2648 54.788 23.690 52.839 0.00 0.00 -ATOM 7945 O1 H2O C2649 13.952 55.568 21.133 0.00 0.00 -ATOM 7946 H1 H2O C2649 13.999 56.458 20.679 0.00 0.00 -ATOM 7947 H2 H2O C2649 14.570 55.562 21.919 0.00 0.00 -ATOM 7948 O1 H2O C2650 19.989 37.815 41.694 0.00 0.00 -ATOM 7949 H1 H2O C2650 19.025 37.995 41.497 0.00 0.00 -ATOM 7950 H2 H2O C2650 20.323 37.091 41.091 0.00 0.00 -ATOM 7951 O1 H2O C2651 8.205 47.500 19.682 0.00 0.00 -ATOM 7952 H1 H2O C2651 7.331 47.637 19.214 0.00 0.00 -ATOM 7953 H2 H2O C2651 8.222 46.591 20.097 0.00 0.00 -ATOM 7954 O1 H2O C2652 27.903 19.825 12.489 0.00 0.00 -ATOM 7955 H1 H2O C2652 28.154 19.050 11.909 0.00 0.00 -ATOM 7956 H2 H2O C2652 27.047 19.623 12.964 0.00 0.00 -ATOM 7957 O1 H2O C2653 54.689 50.981 28.842 0.00 0.00 -ATOM 7958 H1 H2O C2653 54.516 51.481 27.993 0.00 0.00 -ATOM 7959 H2 H2O C2653 55.284 51.525 29.434 0.00 0.00 -ATOM 7960 O1 H2O C2654 44.308 16.352 47.025 0.00 0.00 -ATOM 7961 H1 H2O C2654 44.405 15.359 47.099 0.00 0.00 -ATOM 7962 H2 H2O C2654 44.571 16.645 46.105 0.00 0.00 -ATOM 7963 O1 H2O C2655 12.019 19.468 48.745 0.00 0.00 -ATOM 7964 H1 H2O C2655 11.888 18.795 48.018 0.00 0.00 -ATOM 7965 H2 H2O C2655 12.296 20.341 48.345 0.00 0.00 -ATOM 7966 O1 H2O C2656 54.757 41.263 15.484 0.00 0.00 -ATOM 7967 H1 H2O C2656 54.820 40.275 15.627 0.00 0.00 -ATOM 7968 H2 H2O C2656 54.889 41.468 14.514 0.00 0.00 -ATOM 7969 O1 H2O C2657 35.114 18.250 42.080 0.00 0.00 -ATOM 7970 H1 H2O C2657 35.173 17.541 41.377 0.00 0.00 -ATOM 7971 H2 H2O C2657 35.224 17.834 42.983 0.00 0.00 -ATOM 7972 O1 H2O C2658 32.278 26.683 40.138 0.00 0.00 -ATOM 7973 H1 H2O C2658 31.748 27.525 40.241 0.00 0.00 -ATOM 7974 H2 H2O C2658 31.656 25.904 40.071 0.00 0.00 -ATOM 7975 O1 H2O C2659 17.761 41.602 16.586 0.00 0.00 -ATOM 7976 H1 H2O C2659 16.783 41.619 16.377 0.00 0.00 -ATOM 7977 H2 H2O C2659 18.094 40.660 16.549 0.00 0.00 -ATOM 7978 O1 H2O C2660 29.859 31.793 30.461 0.00 0.00 -ATOM 7979 H1 H2O C2660 30.041 31.304 31.313 0.00 0.00 -ATOM 7980 H2 H2O C2660 30.513 31.501 29.762 0.00 0.00 -ATOM 7981 O1 H2O C2661 35.376 39.762 48.550 0.00 0.00 -ATOM 7982 H1 H2O C2661 35.926 40.429 49.052 0.00 0.00 -ATOM 7983 H2 H2O C2661 35.650 38.837 48.815 0.00 0.00 -ATOM 7984 O1 H2O C2662 47.174 14.204 11.383 0.00 0.00 -ATOM 7985 H1 H2O C2662 46.313 13.696 11.354 0.00 0.00 -ATOM 7986 H2 H2O C2662 47.752 13.840 12.113 0.00 0.00 -ATOM 7987 O1 H2O C2663 29.077 22.960 20.117 0.00 0.00 -ATOM 7988 H1 H2O C2663 28.747 23.516 20.881 0.00 0.00 -ATOM 7989 H2 H2O C2663 30.070 22.868 20.177 0.00 0.00 -ATOM 7990 O1 H2O C2664 47.772 22.369 14.624 0.00 0.00 -ATOM 7991 H1 H2O C2664 48.408 22.494 13.863 0.00 0.00 -ATOM 7992 H2 H2O C2664 47.753 23.198 15.183 0.00 0.00 -ATOM 7993 O1 H2O C2665 14.338 34.166 51.926 0.00 0.00 -ATOM 7994 H1 H2O C2665 14.889 34.524 51.172 0.00 0.00 -ATOM 7995 H2 H2O C2665 13.406 33.997 51.606 0.00 0.00 -ATOM 7996 O1 H2O C2666 42.108 7.053 43.500 0.00 0.00 -ATOM 7997 H1 H2O C2666 42.283 6.313 42.851 0.00 0.00 -ATOM 7998 H2 H2O C2666 42.927 7.621 43.586 0.00 0.00 -ATOM 7999 O1 H2O C2667 46.167 28.764 49.378 0.00 0.00 -ATOM 8000 H1 H2O C2667 46.001 28.201 48.568 0.00 0.00 -ATOM 8001 H2 H2O C2667 45.572 29.568 49.351 0.00 0.00 -ATOM 8002 O1 H2O C2668 51.678 55.610 52.843 0.00 0.00 -ATOM 8003 H1 H2O C2668 51.796 54.636 53.033 0.00 0.00 -ATOM 8004 H2 H2O C2668 52.559 56.075 52.922 0.00 0.00 -ATOM 8005 O1 H2O C2669 5.772 17.478 38.377 0.00 0.00 -ATOM 8006 H1 H2O C2669 6.635 17.571 38.873 0.00 0.00 -ATOM 8007 H2 H2O C2669 5.537 18.352 37.950 0.00 0.00 -ATOM 8008 O1 H2O C2670 20.627 18.875 53.627 0.00 0.00 -ATOM 8009 H1 H2O C2670 19.987 19.633 53.754 0.00 0.00 -ATOM 8010 H2 H2O C2670 20.935 18.856 52.676 0.00 0.00 -ATOM 8011 O1 H2O C2671 57.160 2.018 9.342 0.00 0.00 -ATOM 8012 H1 H2O C2671 56.930 1.905 10.309 0.00 0.00 -ATOM 8013 H2 H2O C2671 57.104 1.132 8.881 0.00 0.00 -ATOM 8014 O1 H2O C2672 46.787 42.172 54.447 0.00 0.00 -ATOM 8015 H1 H2O C2672 45.894 42.376 54.046 0.00 0.00 -ATOM 8016 H2 H2O C2672 46.684 41.471 55.152 0.00 0.00 -ATOM 8017 O1 H2O C2673 14.918 0.715 4.487 0.00 0.00 -ATOM 8018 H1 H2O C2673 15.617 0.028 4.288 0.00 0.00 -ATOM 8019 H2 H2O C2673 14.125 0.565 3.897 0.00 0.00 -ATOM 8020 O1 H2O C2674 53.360 41.049 38.810 0.00 0.00 -ATOM 8021 H1 H2O C2674 53.626 40.366 38.130 0.00 0.00 -ATOM 8022 H2 H2O C2674 52.749 41.719 38.387 0.00 0.00 -ATOM 8023 O1 H2O C2675 6.055 8.321 45.076 0.00 0.00 -ATOM 8024 H1 H2O C2675 5.846 8.533 44.122 0.00 0.00 -ATOM 8025 H2 H2O C2675 6.158 9.171 45.593 0.00 0.00 -ATOM 8026 O1 H2O C2676 49.770 45.128 41.527 0.00 0.00 -ATOM 8027 H1 H2O C2676 50.329 45.688 42.139 0.00 0.00 -ATOM 8028 H2 H2O C2676 49.420 44.336 42.026 0.00 0.00 -ATOM 8029 O1 H2O C2677 41.067 24.614 49.718 0.00 0.00 -ATOM 8030 H1 H2O C2677 40.934 23.625 49.792 0.00 0.00 -ATOM 8031 H2 H2O C2677 40.426 24.986 49.046 0.00 0.00 -ATOM 8032 O1 H2O C2678 17.257 6.279 46.340 0.00 0.00 -ATOM 8033 H1 H2O C2678 17.753 7.111 46.088 0.00 0.00 -ATOM 8034 H2 H2O C2678 16.311 6.346 46.023 0.00 0.00 -ATOM 8035 O1 H2O C2679 8.489 23.332 32.475 0.00 0.00 -ATOM 8036 H1 H2O C2679 9.453 23.564 32.608 0.00 0.00 -ATOM 8037 H2 H2O C2679 7.920 23.941 33.027 0.00 0.00 -ATOM 8038 O1 H2O C2680 57.524 58.269 44.111 0.00 0.00 -ATOM 8039 H1 H2O C2680 57.430 59.157 43.662 0.00 0.00 -ATOM 8040 H2 H2O C2680 56.631 57.966 44.442 0.00 0.00 -ATOM 8041 O1 H2O C2681 28.743 15.317 36.579 0.00 0.00 -ATOM 8042 H1 H2O C2681 29.153 16.153 36.214 0.00 0.00 -ATOM 8043 H2 H2O C2681 27.922 15.549 37.101 0.00 0.00 -ATOM 8044 O1 H2O C2682 52.398 47.082 50.574 0.00 0.00 -ATOM 8045 H1 H2O C2682 52.503 47.957 50.101 0.00 0.00 -ATOM 8046 H2 H2O C2682 52.602 46.335 49.941 0.00 0.00 -ATOM 8047 O1 H2O C2683 8.761 42.120 55.400 0.00 0.00 -ATOM 8048 H1 H2O C2683 9.237 42.713 54.751 0.00 0.00 -ATOM 8049 H2 H2O C2683 9.430 41.654 55.979 0.00 0.00 -ATOM 8050 O1 H2O C2684 12.537 54.855 48.322 0.00 0.00 -ATOM 8051 H1 H2O C2684 11.577 54.634 48.148 0.00 0.00 -ATOM 8052 H2 H2O C2684 12.693 54.911 49.308 0.00 0.00 -ATOM 8053 O1 H2O C2685 37.313 49.114 14.828 0.00 0.00 -ATOM 8054 H1 H2O C2685 38.104 49.718 14.729 0.00 0.00 -ATOM 8055 H2 H2O C2685 37.617 48.161 14.818 0.00 0.00 -ATOM 8056 O1 H2O C2686 5.973 38.871 7.132 0.00 0.00 -ATOM 8057 H1 H2O C2686 5.310 38.664 6.412 0.00 0.00 -ATOM 8058 H2 H2O C2686 5.928 39.844 7.357 0.00 0.00 -ATOM 8059 O1 H2O C2687 16.835 32.021 15.455 0.00 0.00 -ATOM 8060 H1 H2O C2687 17.690 31.856 14.964 0.00 0.00 -ATOM 8061 H2 H2O C2687 17.037 32.380 16.366 0.00 0.00 -ATOM 8062 O1 H2O C2688 14.585 39.721 12.518 0.00 0.00 -ATOM 8063 H1 H2O C2688 13.696 40.148 12.685 0.00 0.00 -ATOM 8064 H2 H2O C2688 14.544 38.756 12.776 0.00 0.00 -ATOM 8065 O1 H2O C2689 3.513 15.881 25.935 0.00 0.00 -ATOM 8066 H1 H2O C2689 2.582 15.889 26.300 0.00 0.00 -ATOM 8067 H2 H2O C2689 3.558 16.464 25.124 0.00 0.00 -ATOM 8068 O1 H2O C2690 49.253 11.050 17.486 0.00 0.00 -ATOM 8069 H1 H2O C2690 49.522 11.779 16.857 0.00 0.00 -ATOM 8070 H2 H2O C2690 48.918 11.451 18.339 0.00 0.00 -ATOM 8071 O1 H2O C2691 53.484 18.270 2.721 0.00 0.00 -ATOM 8072 H1 H2O C2691 52.861 18.088 3.481 0.00 0.00 -ATOM 8073 H2 H2O C2691 52.958 18.555 1.920 0.00 0.00 -ATOM 8074 O1 H2O C2692 49.750 28.830 26.004 0.00 0.00 -ATOM 8075 H1 H2O C2692 50.476 28.821 25.316 0.00 0.00 -ATOM 8076 H2 H2O C2692 49.714 29.730 26.439 0.00 0.00 -ATOM 8077 O1 H2O C2693 26.022 19.826 9.846 0.00 0.00 -ATOM 8078 H1 H2O C2693 25.890 18.941 10.292 0.00 0.00 -ATOM 8079 H2 H2O C2693 26.451 19.689 8.953 0.00 0.00 -ATOM 8080 O1 H2O C2694 56.451 41.404 7.482 0.00 0.00 -ATOM 8081 H1 H2O C2694 56.244 42.286 7.906 0.00 0.00 -ATOM 8082 H2 H2O C2694 55.705 40.763 7.664 0.00 0.00 -ATOM 8083 O1 H2O C2695 19.280 13.162 47.179 0.00 0.00 -ATOM 8084 H1 H2O C2695 19.940 13.847 47.488 0.00 0.00 -ATOM 8085 H2 H2O C2695 18.352 13.515 47.300 0.00 0.00 -ATOM 8086 O1 H2O C2696 19.608 51.812 3.133 0.00 0.00 -ATOM 8087 H1 H2O C2696 19.674 52.641 2.577 0.00 0.00 -ATOM 8088 H2 H2O C2696 18.713 51.780 3.578 0.00 0.00 -ATOM 8089 O1 H2O C2697 36.278 0.228 45.526 0.00 0.00 -ATOM 8090 H1 H2O C2697 37.245 0.479 45.528 0.00 0.00 -ATOM 8091 H2 H2O C2697 35.986 0.018 46.459 0.00 0.00 -ATOM 8092 O1 H2O C2698 21.803 8.900 38.055 0.00 0.00 -ATOM 8093 H1 H2O C2698 21.520 8.934 37.096 0.00 0.00 -ATOM 8094 H2 H2O C2698 21.549 8.015 38.445 0.00 0.00 -ATOM 8095 O1 H2O C2699 2.423 33.427 19.626 0.00 0.00 -ATOM 8096 H1 H2O C2699 3.418 33.329 19.620 0.00 0.00 -ATOM 8097 H2 H2O C2699 2.183 34.390 19.745 0.00 0.00 -ATOM 8098 O1 H2O C2700 34.980 32.215 53.661 0.00 0.00 -ATOM 8099 H1 H2O C2700 35.953 32.028 53.528 0.00 0.00 -ATOM 8100 H2 H2O C2700 34.505 32.147 52.783 0.00 0.00 -ATOM 8101 O1 H2O C2701 25.009 12.176 18.364 0.00 0.00 -ATOM 8102 H1 H2O C2701 25.748 11.791 17.811 0.00 0.00 -ATOM 8103 H2 H2O C2701 24.818 11.568 19.134 0.00 0.00 -ATOM 8104 O1 H2O C2702 36.213 40.396 31.757 0.00 0.00 -ATOM 8105 H1 H2O C2702 36.487 41.067 31.068 0.00 0.00 -ATOM 8106 H2 H2O C2702 36.779 40.508 32.574 0.00 0.00 -ATOM 8107 O1 H2O C2703 14.045 19.806 46.701 0.00 0.00 -ATOM 8108 H1 H2O C2703 14.972 19.701 47.059 0.00 0.00 -ATOM 8109 H2 H2O C2703 13.790 18.984 46.191 0.00 0.00 -ATOM 8110 O1 H2O C2704 54.193 25.350 21.904 0.00 0.00 -ATOM 8111 H1 H2O C2704 55.044 25.828 21.683 0.00 0.00 -ATOM 8112 H2 H2O C2704 54.381 24.622 22.563 0.00 0.00 -ATOM 8113 O1 H2O C2705 1.387 32.784 27.693 0.00 0.00 -ATOM 8114 H1 H2O C2705 1.711 33.651 27.314 0.00 0.00 -ATOM 8115 H2 H2O C2705 0.917 32.263 26.980 0.00 0.00 -ATOM 8116 O1 H2O C2706 36.319 21.908 12.391 0.00 0.00 -ATOM 8117 H1 H2O C2706 36.135 22.542 11.640 0.00 0.00 -ATOM 8118 H2 H2O C2706 36.627 21.032 12.020 0.00 0.00 -ATOM 8119 O1 H2O C2707 3.629 18.215 30.813 0.00 0.00 -ATOM 8120 H1 H2O C2707 4.455 18.212 30.249 0.00 0.00 -ATOM 8121 H2 H2O C2707 3.160 17.337 30.721 0.00 0.00 -ATOM 8122 O1 H2O C2708 40.860 31.970 12.319 0.00 0.00 -ATOM 8123 H1 H2O C2708 39.991 31.599 12.645 0.00 0.00 -ATOM 8124 H2 H2O C2708 41.614 31.425 12.687 0.00 0.00 -ATOM 8125 O1 H2O C2709 47.966 4.429 21.148 0.00 0.00 -ATOM 8126 H1 H2O C2709 48.871 4.400 21.572 0.00 0.00 -ATOM 8127 H2 H2O C2709 47.272 4.182 21.825 0.00 0.00 -ATOM 8128 O1 H2O C2710 52.204 28.475 31.883 0.00 0.00 -ATOM 8129 H1 H2O C2710 52.980 27.853 31.991 0.00 0.00 -ATOM 8130 H2 H2O C2710 51.838 28.709 32.784 0.00 0.00 -ATOM 8131 O1 H2O C2711 8.667 51.313 9.926 0.00 0.00 -ATOM 8132 H1 H2O C2711 9.395 51.563 10.565 0.00 0.00 -ATOM 8133 H2 H2O C2711 9.044 51.244 9.002 0.00 0.00 -ATOM 8134 O1 H2O C2712 8.353 48.023 11.879 0.00 0.00 -ATOM 8135 H1 H2O C2712 7.482 47.556 11.731 0.00 0.00 -ATOM 8136 H2 H2O C2712 8.937 47.902 11.076 0.00 0.00 -ATOM 8137 O1 H2O C2713 33.434 27.873 28.372 0.00 0.00 -ATOM 8138 H1 H2O C2713 33.537 28.571 29.081 0.00 0.00 -ATOM 8139 H2 H2O C2713 33.659 28.268 27.481 0.00 0.00 -ATOM 8140 O1 H2O C2714 52.229 41.242 37.865 0.00 0.00 -ATOM 8141 H1 H2O C2714 51.872 41.155 38.795 0.00 0.00 -ATOM 8142 H2 H2O C2714 53.228 41.265 37.892 0.00 0.00 -ATOM 8143 O1 H2O C2715 5.443 49.124 26.978 0.00 0.00 -ATOM 8144 H1 H2O C2715 5.051 48.897 26.086 0.00 0.00 -ATOM 8145 H2 H2O C2715 6.113 48.428 27.235 0.00 0.00 -ATOM 8146 O1 H2O C2716 40.991 25.229 26.643 0.00 0.00 -ATOM 8147 H1 H2O C2716 40.100 24.777 26.674 0.00 0.00 -ATOM 8148 H2 H2O C2716 41.708 24.570 26.872 0.00 0.00 -ATOM 8149 O1 H2O C2717 19.686 58.797 16.256 0.00 0.00 -ATOM 8150 H1 H2O C2717 19.206 59.485 16.800 0.00 0.00 -ATOM 8151 H2 H2O C2717 20.190 58.184 16.863 0.00 0.00 -ATOM 8152 O1 H2O C2718 31.711 2.461 51.364 0.00 0.00 -ATOM 8153 H1 H2O C2718 31.234 2.133 50.548 0.00 0.00 -ATOM 8154 H2 H2O C2718 31.689 1.753 52.070 0.00 0.00 -ATOM 8155 O1 H2O C2719 56.021 46.883 52.924 0.00 0.00 -ATOM 8156 H1 H2O C2719 55.444 46.821 52.110 0.00 0.00 -ATOM 8157 H2 H2O C2719 56.031 47.826 53.255 0.00 0.00 -ATOM 8158 O1 H2O C2720 19.089 47.957 12.448 0.00 0.00 -ATOM 8159 H1 H2O C2720 19.667 47.338 11.915 0.00 0.00 -ATOM 8160 H2 H2O C2720 18.224 48.100 11.968 0.00 0.00 -ATOM 8161 O1 H2O C2721 26.208 18.583 54.482 0.00 0.00 -ATOM 8162 H1 H2O C2721 26.848 18.315 53.763 0.00 0.00 -ATOM 8163 H2 H2O C2721 26.173 19.581 54.542 0.00 0.00 -ATOM 8164 O1 H2O C2722 46.803 1.134 1.362 0.00 0.00 -ATOM 8165 H1 H2O C2722 46.517 1.800 0.673 0.00 0.00 -ATOM 8166 H2 H2O C2722 47.359 1.591 2.057 0.00 0.00 -ATOM 8167 O1 H2O C2723 58.948 46.477 54.124 0.00 0.00 -ATOM 8168 H1 H2O C2723 59.561 46.757 54.863 0.00 0.00 -ATOM 8169 H2 H2O C2723 59.101 47.059 53.326 0.00 0.00 -ATOM 8170 O1 H2O C2724 0.753 21.273 14.154 0.00 0.00 -ATOM 8171 H1 H2O C2724 0.796 21.751 15.031 0.00 0.00 -ATOM 8172 H2 H2O C2724 0.285 20.398 14.273 0.00 0.00 -ATOM 8173 O1 H2O C2725 49.814 52.683 53.520 0.00 0.00 -ATOM 8174 H1 H2O C2725 49.321 52.120 52.856 0.00 0.00 -ATOM 8175 H2 H2O C2725 49.785 52.242 54.417 0.00 0.00 -ATOM 8176 O1 H2O C2726 33.782 29.822 30.542 0.00 0.00 -ATOM 8177 H1 H2O C2726 33.007 30.199 30.036 0.00 0.00 -ATOM 8178 H2 H2O C2726 34.393 29.344 29.910 0.00 0.00 -ATOM 8179 O1 H2O C2727 47.750 30.514 10.352 0.00 0.00 -ATOM 8180 H1 H2O C2727 46.867 30.186 10.690 0.00 0.00 -ATOM 8181 H2 H2O C2727 47.697 30.653 9.364 0.00 0.00 -ATOM 8182 O1 H2O C2728 2.044 22.458 36.207 0.00 0.00 -ATOM 8183 H1 H2O C2728 3.020 22.678 36.183 0.00 0.00 -ATOM 8184 H2 H2O C2728 1.727 22.458 37.156 0.00 0.00 -ATOM 8185 O1 H2O C2729 48.616 46.269 43.423 0.00 0.00 -ATOM 8186 H1 H2O C2729 48.743 45.745 44.265 0.00 0.00 -ATOM 8187 H2 H2O C2729 49.022 45.772 42.656 0.00 0.00 -ATOM 8188 O1 H2O C2730 42.514 1.355 52.873 0.00 0.00 -ATOM 8189 H1 H2O C2730 42.322 2.136 52.278 0.00 0.00 -ATOM 8190 H2 H2O C2730 41.770 1.252 53.535 0.00 0.00 -ATOM 8191 O1 H2O C2731 58.967 20.906 52.321 0.00 0.00 -ATOM 8192 H1 H2O C2731 59.714 20.499 51.795 0.00 0.00 -ATOM 8193 H2 H2O C2731 59.319 21.240 53.196 0.00 0.00 -ATOM 8194 O1 H2O C2732 38.150 14.844 4.683 0.00 0.00 -ATOM 8195 H1 H2O C2732 38.661 15.197 5.467 0.00 0.00 -ATOM 8196 H2 H2O C2732 38.758 14.298 4.107 0.00 0.00 -ATOM 8197 O1 H2O C2733 26.792 57.482 8.776 0.00 0.00 -ATOM 8198 H1 H2O C2733 26.394 57.716 9.663 0.00 0.00 -ATOM 8199 H2 H2O C2733 26.735 58.273 8.167 0.00 0.00 -ATOM 8200 O1 H2O C2734 30.991 10.785 58.840 0.00 0.00 -ATOM 8201 H1 H2O C2734 30.233 11.326 59.206 0.00 0.00 -ATOM 8202 H2 H2O C2734 30.629 10.037 58.284 0.00 0.00 -ATOM 8203 O1 H2O C2735 1.438 28.056 11.746 0.00 0.00 -ATOM 8204 H1 H2O C2735 2.400 28.012 12.015 0.00 0.00 -ATOM 8205 H2 H2O C2735 0.870 27.677 12.476 0.00 0.00 -ATOM 8206 O1 H2O C2736 55.772 54.254 43.609 0.00 0.00 -ATOM 8207 H1 H2O C2736 56.216 54.623 42.792 0.00 0.00 -ATOM 8208 H2 H2O C2736 55.701 54.972 44.302 0.00 0.00 -ATOM 8209 O1 H2O C2737 0.680 4.519 20.233 0.00 0.00 -ATOM 8210 H1 H2O C2737 0.431 4.243 21.162 0.00 0.00 -ATOM 8211 H2 H2O C2737 -0.000 5.164 19.884 0.00 0.00 -ATOM 8212 O1 H2O C2738 59.487 44.524 4.284 0.00 0.00 -ATOM 8213 H1 H2O C2738 59.190 44.511 5.239 0.00 0.00 -ATOM 8214 H2 H2O C2738 59.000 45.246 3.794 0.00 0.00 -ATOM 8215 O1 H2O C2739 34.323 56.922 1.750 0.00 0.00 -ATOM 8216 H1 H2O C2739 34.134 56.088 2.269 0.00 0.00 -ATOM 8217 H2 H2O C2739 33.467 57.411 1.584 0.00 0.00 -ATOM 8218 O1 H2O C2740 19.836 57.960 51.047 0.00 0.00 -ATOM 8219 H1 H2O C2740 19.917 57.210 51.704 0.00 0.00 -ATOM 8220 H2 H2O C2740 19.636 58.810 51.535 0.00 0.00 -ATOM 8221 O1 H2O C2741 50.545 31.060 32.181 0.00 0.00 -ATOM 8222 H1 H2O C2741 50.247 30.617 33.026 0.00 0.00 -ATOM 8223 H2 H2O C2741 50.040 31.915 32.057 0.00 0.00 -ATOM 8224 O1 H2O C2742 16.860 24.120 16.449 0.00 0.00 -ATOM 8225 H1 H2O C2742 17.852 24.179 16.334 0.00 0.00 -ATOM 8226 H2 H2O C2742 16.649 23.816 17.378 0.00 0.00 -ATOM 8227 O1 H2O C2743 8.567 14.889 13.463 0.00 0.00 -ATOM 8228 H1 H2O C2743 7.571 14.939 13.392 0.00 0.00 -ATOM 8229 H2 H2O C2743 8.981 15.523 12.811 0.00 0.00 -ATOM 8230 O1 H2O C2744 59.474 10.035 34.911 0.00 0.00 -ATOM 8231 H1 H2O C2744 59.233 9.614 34.037 0.00 0.00 -ATOM 8232 H2 H2O C2744 59.426 11.031 34.826 0.00 0.00 -ATOM 8233 O1 H2O C2745 4.273 40.586 21.017 0.00 0.00 -ATOM 8234 H1 H2O C2745 4.021 40.247 20.111 0.00 0.00 -ATOM 8235 H2 H2O C2745 3.622 40.245 21.695 0.00 0.00 -ATOM 8236 O1 H2O C2746 29.741 25.399 47.846 0.00 0.00 -ATOM 8237 H1 H2O C2746 29.471 25.596 48.789 0.00 0.00 -ATOM 8238 H2 H2O C2746 29.770 26.250 47.322 0.00 0.00 -ATOM 8239 O1 H2O C2747 50.482 56.674 21.398 0.00 0.00 -ATOM 8240 H1 H2O C2747 50.179 56.029 22.100 0.00 0.00 -ATOM 8241 H2 H2O C2747 51.435 56.485 21.160 0.00 0.00 -ATOM 8242 O1 H2O C2748 1.251 53.344 16.698 0.00 0.00 -ATOM 8243 H1 H2O C2748 0.366 52.987 17.000 0.00 0.00 -ATOM 8244 H2 H2O C2748 1.234 54.343 16.726 0.00 0.00 -ATOM 8245 O1 H2O C2749 27.541 57.752 12.845 0.00 0.00 -ATOM 8246 H1 H2O C2749 26.660 57.560 13.277 0.00 0.00 -ATOM 8247 H2 H2O C2749 27.898 58.621 13.187 0.00 0.00 -ATOM 8248 O1 H2O C2750 18.639 45.720 27.878 0.00 0.00 -ATOM 8249 H1 H2O C2750 18.563 46.717 27.861 0.00 0.00 -ATOM 8250 H2 H2O C2750 19.545 45.449 27.554 0.00 0.00 -ATOM 8251 O1 H2O C2751 28.161 27.546 10.178 0.00 0.00 -ATOM 8252 H1 H2O C2751 27.741 28.453 10.190 0.00 0.00 -ATOM 8253 H2 H2O C2751 28.994 27.557 10.731 0.00 0.00 -ATOM 8254 O1 H2O C2752 8.942 48.286 23.572 0.00 0.00 -ATOM 8255 H1 H2O C2752 9.649 48.952 23.335 0.00 0.00 -ATOM 8256 H2 H2O C2752 9.011 47.496 22.963 0.00 0.00 -ATOM 8257 O1 H2O C2753 32.996 32.172 7.843 0.00 0.00 -ATOM 8258 H1 H2O C2753 32.579 31.266 7.917 0.00 0.00 -ATOM 8259 H2 H2O C2753 33.895 32.092 7.414 0.00 0.00 -ATOM 8260 O1 H2O C2754 36.065 7.940 20.290 0.00 0.00 -ATOM 8261 H1 H2O C2754 35.522 8.412 20.985 0.00 0.00 -ATOM 8262 H2 H2O C2754 36.720 8.580 19.888 0.00 0.00 -ATOM 8263 O1 H2O C2755 20.344 3.921 53.263 0.00 0.00 -ATOM 8264 H1 H2O C2755 20.993 3.180 53.436 0.00 0.00 -ATOM 8265 H2 H2O C2755 20.697 4.771 53.654 0.00 0.00 -ATOM 8266 O1 H2O C2756 50.076 53.200 37.863 0.00 0.00 -ATOM 8267 H1 H2O C2756 50.096 54.197 37.943 0.00 0.00 -ATOM 8268 H2 H2O C2756 49.605 52.944 37.019 0.00 0.00 -ATOM 8269 O1 H2O C2757 14.624 24.270 16.990 0.00 0.00 -ATOM 8270 H1 H2O C2757 14.441 24.209 17.972 0.00 0.00 -ATOM 8271 H2 H2O C2757 14.997 25.173 16.776 0.00 0.00 -ATOM 8272 O1 H2O C2758 35.928 19.335 49.805 0.00 0.00 -ATOM 8273 H1 H2O C2758 36.088 20.306 49.625 0.00 0.00 -ATOM 8274 H2 H2O C2758 34.975 19.200 50.077 0.00 0.00 -ATOM 8275 O1 H2O C2759 4.344 15.538 27.127 0.00 0.00 -ATOM 8276 H1 H2O C2759 5.187 15.272 26.659 0.00 0.00 -ATOM 8277 H2 H2O C2759 3.992 16.383 26.725 0.00 0.00 -ATOM 8278 O1 H2O C2760 55.082 14.946 2.460 0.00 0.00 -ATOM 8279 H1 H2O C2760 55.705 14.343 1.961 0.00 0.00 -ATOM 8280 H2 H2O C2760 55.435 15.881 2.439 0.00 0.00 -ATOM 8281 O1 H2O C2761 58.264 21.862 21.144 0.00 0.00 -ATOM 8282 H1 H2O C2761 57.993 22.541 20.462 0.00 0.00 -ATOM 8283 H2 H2O C2761 58.310 22.294 22.045 0.00 0.00 -ATOM 8284 O1 H2O C2762 43.071 36.758 18.178 0.00 0.00 -ATOM 8285 H1 H2O C2762 43.153 37.600 18.711 0.00 0.00 -ATOM 8286 H2 H2O C2762 43.849 36.681 17.554 0.00 0.00 -ATOM 8287 O1 H2O C2763 57.599 23.817 10.140 0.00 0.00 -ATOM 8288 H1 H2O C2763 57.886 24.487 9.455 0.00 0.00 -ATOM 8289 H2 H2O C2763 56.610 23.880 10.274 0.00 0.00 -ATOM 8290 O1 H2O C2764 29.218 31.126 8.798 0.00 0.00 -ATOM 8291 H1 H2O C2764 29.428 31.609 9.648 0.00 0.00 -ATOM 8292 H2 H2O C2764 29.347 31.744 8.023 0.00 0.00 -ATOM 8293 O1 H2O C2765 48.767 21.228 50.836 0.00 0.00 -ATOM 8294 H1 H2O C2765 49.238 21.973 51.310 0.00 0.00 -ATOM 8295 H2 H2O C2765 48.545 21.514 49.904 0.00 0.00 -ATOM 8296 O1 H2O C2766 16.815 46.191 47.271 0.00 0.00 -ATOM 8297 H1 H2O C2766 16.243 46.923 46.901 0.00 0.00 -ATOM 8298 H2 H2O C2766 17.636 46.093 46.708 0.00 0.00 -ATOM 8299 O1 H2O C2767 11.519 41.374 20.580 0.00 0.00 -ATOM 8300 H1 H2O C2767 12.437 41.240 20.208 0.00 0.00 -ATOM 8301 H2 H2O C2767 11.381 42.343 20.786 0.00 0.00 -ATOM 8302 O1 H2O C2768 56.217 25.994 17.226 0.00 0.00 -ATOM 8303 H1 H2O C2768 55.681 25.218 16.892 0.00 0.00 -ATOM 8304 H2 H2O C2768 57.040 25.658 17.684 0.00 0.00 -ATOM 8305 O1 H2O C2769 22.569 42.425 41.209 0.00 0.00 -ATOM 8306 H1 H2O C2769 21.860 41.875 40.768 0.00 0.00 -ATOM 8307 H2 H2O C2769 22.381 42.488 42.189 0.00 0.00 -ATOM 8308 O1 H2O C2770 25.249 56.880 9.515 0.00 0.00 -ATOM 8309 H1 H2O C2770 25.754 57.501 8.914 0.00 0.00 -ATOM 8310 H2 H2O C2770 25.879 56.469 10.174 0.00 0.00 -ATOM 8311 O1 H2O C2771 6.352 39.011 16.683 0.00 0.00 -ATOM 8312 H1 H2O C2771 7.238 38.554 16.592 0.00 0.00 -ATOM 8313 H2 H2O C2771 5.813 38.858 15.854 0.00 0.00 -ATOM 8314 O1 H2O C2772 47.216 53.405 58.037 0.00 0.00 -ATOM 8315 H1 H2O C2772 46.270 53.562 58.321 0.00 0.00 -ATOM 8316 H2 H2O C2772 47.243 52.669 57.360 0.00 0.00 -ATOM 8317 O1 H2O C2773 4.517 12.925 56.556 0.00 0.00 -ATOM 8318 H1 H2O C2773 3.815 12.641 57.209 0.00 0.00 -ATOM 8319 H2 H2O C2773 5.037 13.689 56.938 0.00 0.00 -ATOM 8320 O1 H2O C2774 56.768 55.067 19.009 0.00 0.00 -ATOM 8321 H1 H2O C2774 56.531 55.850 19.584 0.00 0.00 -ATOM 8322 H2 H2O C2774 57.346 54.436 19.527 0.00 0.00 -ATOM 8323 O1 H2O C2775 41.577 9.089 45.148 0.00 0.00 -ATOM 8324 H1 H2O C2775 42.400 9.605 44.914 0.00 0.00 -ATOM 8325 H2 H2O C2775 41.667 8.149 44.818 0.00 0.00 -ATOM 8326 O1 H2O C2776 6.306 29.130 48.727 0.00 0.00 -ATOM 8327 H1 H2O C2776 6.857 29.956 48.604 0.00 0.00 -ATOM 8328 H2 H2O C2776 5.728 28.993 47.923 0.00 0.00 -ATOM 8329 O1 H2O C2777 26.208 44.630 56.798 0.00 0.00 -ATOM 8330 H1 H2O C2777 26.950 45.179 57.182 0.00 0.00 -ATOM 8331 H2 H2O C2777 25.820 44.047 57.513 0.00 0.00 -ATOM 8332 O1 H2O C2778 25.124 47.327 49.196 0.00 0.00 -ATOM 8333 H1 H2O C2778 25.613 47.607 48.369 0.00 0.00 -ATOM 8334 H2 H2O C2778 24.196 47.698 49.176 0.00 0.00 -ATOM 8335 O1 H2O C2779 23.183 5.212 26.196 0.00 0.00 -ATOM 8336 H1 H2O C2779 24.055 5.648 26.418 0.00 0.00 -ATOM 8337 H2 H2O C2779 22.869 5.529 25.301 0.00 0.00 -ATOM 8338 O1 H2O C2780 46.309 30.870 20.428 0.00 0.00 -ATOM 8339 H1 H2O C2780 46.288 30.582 19.471 0.00 0.00 -ATOM 8340 H2 H2O C2780 46.795 30.186 20.972 0.00 0.00 -ATOM 8341 O1 H2O C2781 27.327 12.561 53.938 0.00 0.00 -ATOM 8342 H1 H2O C2781 27.324 11.920 53.171 0.00 0.00 -ATOM 8343 H2 H2O C2781 26.695 13.313 53.747 0.00 0.00 -ATOM 8344 O1 H2O C2782 8.070 28.343 12.653 0.00 0.00 -ATOM 8345 H1 H2O C2782 7.248 28.833 12.945 0.00 0.00 -ATOM 8346 H2 H2O C2782 8.566 28.895 11.983 0.00 0.00 -ATOM 8347 O1 H2O C2783 20.516 42.416 58.534 0.00 0.00 -ATOM 8348 H1 H2O C2783 21.196 42.671 59.221 0.00 0.00 -ATOM 8349 H2 H2O C2783 20.231 43.230 58.028 0.00 0.00 -ATOM 8350 O1 H2O C2784 39.037 39.021 30.522 0.00 0.00 -ATOM 8351 H1 H2O C2784 39.132 39.849 31.075 0.00 0.00 -ATOM 8352 H2 H2O C2784 38.992 39.270 29.555 0.00 0.00 -ATOM 8353 O1 H2O C2785 34.957 31.152 34.332 0.00 0.00 -ATOM 8354 H1 H2O C2785 35.847 31.454 34.674 0.00 0.00 -ATOM 8355 H2 H2O C2785 34.338 31.935 34.275 0.00 0.00 -ATOM 8356 O1 H2O C2786 35.286 37.456 3.198 0.00 0.00 -ATOM 8357 H1 H2O C2786 34.960 36.926 3.981 0.00 0.00 -ATOM 8358 H2 H2O C2786 35.932 38.151 3.513 0.00 0.00 -ATOM 8359 O1 H2O C2787 7.854 48.072 0.106 0.00 0.00 -ATOM 8360 H1 H2O C2787 7.796 48.746 0.843 0.00 0.00 -ATOM 8361 H2 H2O C2787 6.968 47.621 -0.004 0.00 0.00 -ATOM 8362 O1 H2O C2788 56.073 8.901 10.802 0.00 0.00 -ATOM 8363 H1 H2O C2788 55.086 8.782 10.692 0.00 0.00 -ATOM 8364 H2 H2O C2788 56.414 8.252 11.482 0.00 0.00 -ATOM 8365 O1 H2O C2789 57.958 46.071 29.740 0.00 0.00 -ATOM 8366 H1 H2O C2789 57.063 46.261 29.337 0.00 0.00 -ATOM 8367 H2 H2O C2789 58.667 46.545 29.217 0.00 0.00 -ATOM 8368 O1 H2O C2790 35.056 53.987 58.240 0.00 0.00 -ATOM 8369 H1 H2O C2790 35.494 53.116 58.464 0.00 0.00 -ATOM 8370 H2 H2O C2790 34.901 54.038 57.253 0.00 0.00 -ATOM 8371 O1 H2O C2791 3.794 14.801 28.394 0.00 0.00 -ATOM 8372 H1 H2O C2791 4.580 15.357 28.126 0.00 0.00 -ATOM 8373 H2 H2O C2791 3.861 13.900 27.965 0.00 0.00 -ATOM 8374 O1 H2O C2792 39.895 34.698 24.566 0.00 0.00 -ATOM 8375 H1 H2O C2792 40.721 35.000 24.089 0.00 0.00 -ATOM 8376 H2 H2O C2792 39.485 35.474 25.046 0.00 0.00 -ATOM 8377 O1 H2O C2793 56.063 48.673 8.154 0.00 0.00 -ATOM 8378 H1 H2O C2793 55.547 47.900 7.786 0.00 0.00 -ATOM 8379 H2 H2O C2793 56.530 49.148 7.408 0.00 0.00 -ATOM 8380 O1 H2O C2794 32.922 7.955 20.528 0.00 0.00 -ATOM 8381 H1 H2O C2794 32.906 8.229 19.566 0.00 0.00 -ATOM 8382 H2 H2O C2794 32.649 6.996 20.606 0.00 0.00 -ATOM 8383 O1 H2O C2795 59.702 30.659 46.709 0.00 0.00 -ATOM 8384 H1 H2O C2795 59.786 29.669 46.595 0.00 0.00 -ATOM 8385 H2 H2O C2795 58.968 31.001 46.122 0.00 0.00 -ATOM 8386 O1 H2O C2796 55.831 32.150 23.539 0.00 0.00 -ATOM 8387 H1 H2O C2796 54.919 32.190 23.131 0.00 0.00 -ATOM 8388 H2 H2O C2796 56.497 32.545 22.906 0.00 0.00 -ATOM 8389 O1 H2O C2797 30.243 19.583 4.743 0.00 0.00 -ATOM 8390 H1 H2O C2797 29.268 19.797 4.675 0.00 0.00 -ATOM 8391 H2 H2O C2797 30.397 18.636 4.459 0.00 0.00 -ATOM 8392 O1 H2O C2798 39.526 18.089 32.349 0.00 0.00 -ATOM 8393 H1 H2O C2798 40.462 18.189 32.685 0.00 0.00 -ATOM 8394 H2 H2O C2798 39.185 18.977 32.040 0.00 0.00 -ATOM 8395 O1 H2O C2799 36.350 22.877 30.416 0.00 0.00 -ATOM 8396 H1 H2O C2799 35.381 22.632 30.419 0.00 0.00 -ATOM 8397 H2 H2O C2799 36.898 22.070 30.195 0.00 0.00 -ATOM 8398 O1 H2O C2800 50.098 29.022 44.513 0.00 0.00 -ATOM 8399 H1 H2O C2800 50.529 28.932 45.411 0.00 0.00 -ATOM 8400 H2 H2O C2800 50.786 28.893 43.799 0.00 0.00 -ATOM 8401 O1 H2O C2801 52.756 41.694 2.741 0.00 0.00 -ATOM 8402 H1 H2O C2801 53.729 41.609 2.952 0.00 0.00 -ATOM 8403 H2 H2O C2801 52.586 42.577 2.303 0.00 0.00 -ATOM 8404 O1 H2O C2802 23.173 33.916 3.025 0.00 0.00 -ATOM 8405 H1 H2O C2802 22.192 33.735 3.087 0.00 0.00 -ATOM 8406 H2 H2O C2802 23.660 33.060 2.853 0.00 0.00 -ATOM 8407 O1 H2O C2803 25.398 19.672 16.976 0.00 0.00 -ATOM 8408 H1 H2O C2803 24.636 20.189 16.586 0.00 0.00 -ATOM 8409 H2 H2O C2803 26.043 20.302 17.408 0.00 0.00 -ATOM 8410 O1 H2O C2804 22.829 21.443 59.542 0.00 0.00 -ATOM 8411 H1 H2O C2804 23.565 21.050 58.992 0.00 0.00 -ATOM 8412 H2 H2O C2804 22.191 21.930 58.946 0.00 0.00 -ATOM 8413 O1 H2O C2805 36.614 44.185 35.389 0.00 0.00 -ATOM 8414 H1 H2O C2805 37.300 43.846 36.032 0.00 0.00 -ATOM 8415 H2 H2O C2805 36.327 45.104 35.660 0.00 0.00 -ATOM 8416 O1 H2O C2806 17.066 11.807 30.242 0.00 0.00 -ATOM 8417 H1 H2O C2806 16.869 11.651 29.274 0.00 0.00 -ATOM 8418 H2 H2O C2806 17.944 11.388 30.475 0.00 0.00 -ATOM 8419 O1 H2O C2807 29.273 48.259 13.205 0.00 0.00 -ATOM 8420 H1 H2O C2807 29.479 48.920 13.926 0.00 0.00 -ATOM 8421 H2 H2O C2807 28.894 47.428 13.612 0.00 0.00 -ATOM 8422 O1 H2O C2808 24.462 17.058 10.929 0.00 0.00 -ATOM 8423 H1 H2O C2808 24.771 16.419 10.225 0.00 0.00 -ATOM 8424 H2 H2O C2808 23.977 17.819 10.500 0.00 0.00 -ATOM 8425 O1 H2O C2809 9.501 56.591 51.706 0.00 0.00 -ATOM 8426 H1 H2O C2809 9.684 57.341 51.070 0.00 0.00 -ATOM 8427 H2 H2O C2809 8.960 55.887 51.245 0.00 0.00 -ATOM 8428 O1 H2O C2810 59.683 57.041 41.292 0.00 0.00 -ATOM 8429 H1 H2O C2810 59.612 56.208 41.842 0.00 0.00 -ATOM 8430 H2 H2O C2810 60.498 57.552 41.564 0.00 0.00 -ATOM 8431 O1 H2O C2811 59.379 1.673 31.003 0.00 0.00 -ATOM 8432 H1 H2O C2811 58.921 1.086 30.336 0.00 0.00 -ATOM 8433 H2 H2O C2811 60.075 2.223 30.541 0.00 0.00 -ATOM 8434 O1 H2O C2812 38.490 5.194 29.033 0.00 0.00 -ATOM 8435 H1 H2O C2812 38.859 6.093 29.270 0.00 0.00 -ATOM 8436 H2 H2O C2812 37.760 5.300 28.358 0.00 0.00 -ATOM 8437 O1 H2O C2813 59.134 4.003 36.145 0.00 0.00 -ATOM 8438 H1 H2O C2813 59.224 4.736 36.819 0.00 0.00 -ATOM 8439 H2 H2O C2813 59.012 4.399 35.235 0.00 0.00 -ATOM 8440 O1 H2O C2814 41.154 22.563 12.280 0.00 0.00 -ATOM 8441 H1 H2O C2814 40.181 22.792 12.315 0.00 0.00 -ATOM 8442 H2 H2O C2814 41.640 23.255 11.746 0.00 0.00 -ATOM 8443 O1 H2O C2815 9.930 22.682 23.213 0.00 0.00 -ATOM 8444 H1 H2O C2815 9.087 22.146 23.158 0.00 0.00 -ATOM 8445 H2 H2O C2815 9.808 23.430 23.865 0.00 0.00 -ATOM 8446 O1 H2O C2816 59.170 4.046 56.592 0.00 0.00 -ATOM 8447 H1 H2O C2816 58.322 3.994 56.064 0.00 0.00 -ATOM 8448 H2 H2O C2816 58.953 4.212 57.554 0.00 0.00 -ATOM 8449 O1 H2O C2817 51.099 13.281 14.573 0.00 0.00 -ATOM 8450 H1 H2O C2817 50.203 13.085 14.971 0.00 0.00 -ATOM 8451 H2 H2O C2817 51.126 12.946 13.631 0.00 0.00 -ATOM 8452 O1 H2O C2818 6.734 35.138 12.873 0.00 0.00 -ATOM 8453 H1 H2O C2818 7.338 35.686 12.295 0.00 0.00 -ATOM 8454 H2 H2O C2818 6.064 35.734 13.315 0.00 0.00 -ATOM 8455 O1 H2O C2819 0.423 52.991 3.258 0.00 0.00 -ATOM 8456 H1 H2O C2819 0.464 53.344 4.193 0.00 0.00 -ATOM 8457 H2 H2O C2819 0.338 51.994 3.281 0.00 0.00 -ATOM 8458 O1 H2O C2820 5.585 55.458 22.497 0.00 0.00 -ATOM 8459 H1 H2O C2820 5.246 56.137 21.846 0.00 0.00 -ATOM 8460 H2 H2O C2820 4.981 55.428 23.293 0.00 0.00 -ATOM 8461 O1 H2O C2821 48.650 37.151 41.202 0.00 0.00 -ATOM 8462 H1 H2O C2821 48.856 38.109 41.003 0.00 0.00 -ATOM 8463 H2 H2O C2821 49.212 36.562 40.621 0.00 0.00 -ATOM 8464 O1 H2O C2822 29.667 1.524 36.441 0.00 0.00 -ATOM 8465 H1 H2O C2822 28.680 1.563 36.596 0.00 0.00 -ATOM 8466 H2 H2O C2822 30.051 2.445 36.509 0.00 0.00 -ATOM 8467 O1 H2O C2823 26.261 16.336 35.220 0.00 0.00 -ATOM 8468 H1 H2O C2823 26.553 16.870 36.013 0.00 0.00 -ATOM 8469 H2 H2O C2823 25.595 16.861 34.691 0.00 0.00 -ATOM 8470 O1 H2O C2824 16.018 45.039 7.895 0.00 0.00 -ATOM 8471 H1 H2O C2824 15.859 44.314 7.225 0.00 0.00 -ATOM 8472 H2 H2O C2824 16.966 45.350 7.831 0.00 0.00 -ATOM 8473 O1 H2O C2825 32.946 35.652 44.915 0.00 0.00 -ATOM 8474 H1 H2O C2825 33.831 35.187 44.941 0.00 0.00 -ATOM 8475 H2 H2O C2825 32.680 35.913 45.843 0.00 0.00 -ATOM 8476 O1 H2O C2826 8.229 12.991 39.693 0.00 0.00 -ATOM 8477 H1 H2O C2826 7.848 12.371 40.379 0.00 0.00 -ATOM 8478 H2 H2O C2826 8.761 13.705 40.148 0.00 0.00 -ATOM 8479 O1 H2O C2827 23.375 52.649 6.402 0.00 0.00 -ATOM 8480 H1 H2O C2827 24.099 53.299 6.171 0.00 0.00 -ATOM 8481 H2 H2O C2827 23.784 51.769 6.648 0.00 0.00 -ATOM 8482 O1 H2O C2828 12.035 18.715 46.289 0.00 0.00 -ATOM 8483 H1 H2O C2828 11.643 19.529 46.718 0.00 0.00 -ATOM 8484 H2 H2O C2828 11.594 18.559 45.405 0.00 0.00 -ATOM 8485 O1 H2O C2829 38.080 17.707 29.570 0.00 0.00 -ATOM 8486 H1 H2O C2829 38.847 18.024 30.127 0.00 0.00 -ATOM 8487 H2 H2O C2829 38.420 17.108 28.845 0.00 0.00 -ATOM 8488 O1 H2O C2830 58.167 42.569 14.321 0.00 0.00 -ATOM 8489 H1 H2O C2830 59.137 42.370 14.463 0.00 0.00 -ATOM 8490 H2 H2O C2830 58.047 43.041 13.448 0.00 0.00 -ATOM 8491 O1 H2O C2831 2.883 6.674 3.195 0.00 0.00 -ATOM 8492 H1 H2O C2831 2.231 5.974 2.903 0.00 0.00 -ATOM 8493 H2 H2O C2831 3.392 6.345 3.990 0.00 0.00 -ATOM 8494 O1 H2O C2832 22.727 52.954 4.706 0.00 0.00 -ATOM 8495 H1 H2O C2832 23.086 52.058 4.968 0.00 0.00 -ATOM 8496 H2 H2O C2832 22.229 52.875 3.843 0.00 0.00 -ATOM 8497 O1 H2O C2833 56.796 27.761 25.919 0.00 0.00 -ATOM 8498 H1 H2O C2833 56.166 27.089 25.529 0.00 0.00 -ATOM 8499 H2 H2O C2833 56.459 28.052 26.815 0.00 0.00 -ATOM 8500 O1 H2O C2834 15.182 28.899 10.141 0.00 0.00 -ATOM 8501 H1 H2O C2834 16.139 28.889 9.849 0.00 0.00 -ATOM 8502 H2 H2O C2834 14.590 28.960 9.338 0.00 0.00 -ATOM 8503 O1 H2O C2835 48.606 43.991 37.492 0.00 0.00 -ATOM 8504 H1 H2O C2835 48.487 42.999 37.429 0.00 0.00 -ATOM 8505 H2 H2O C2835 48.486 44.398 36.585 0.00 0.00 -ATOM 8506 O1 H2O C2836 15.979 8.903 35.444 0.00 0.00 -ATOM 8507 H1 H2O C2836 16.494 9.760 35.471 0.00 0.00 -ATOM 8508 H2 H2O C2836 16.147 8.439 34.575 0.00 0.00 -ATOM 8509 O1 H2O C2837 25.242 30.349 5.859 0.00 0.00 -ATOM 8510 H1 H2O C2837 24.363 30.021 5.513 0.00 0.00 -ATOM 8511 H2 H2O C2837 25.659 29.644 6.432 0.00 0.00 -ATOM 8512 O1 H2O C2838 51.794 25.711 31.641 0.00 0.00 -ATOM 8513 H1 H2O C2838 50.968 25.237 31.947 0.00 0.00 -ATOM 8514 H2 H2O C2838 51.733 25.886 30.658 0.00 0.00 -ATOM 8515 O1 H2O C2839 53.953 22.956 34.001 0.00 0.00 -ATOM 8516 H1 H2O C2839 54.492 22.426 33.346 0.00 0.00 -ATOM 8517 H2 H2O C2839 53.795 22.410 34.823 0.00 0.00 -ATOM 8518 O1 H2O C2840 45.549 31.012 27.805 0.00 0.00 -ATOM 8519 H1 H2O C2840 46.531 30.867 27.921 0.00 0.00 -ATOM 8520 H2 H2O C2840 45.232 30.518 26.995 0.00 0.00 -ATOM 8521 O1 H2O C2841 36.385 18.634 45.101 0.00 0.00 -ATOM 8522 H1 H2O C2841 37.368 18.632 45.285 0.00 0.00 -ATOM 8523 H2 H2O C2841 36.230 18.736 44.118 0.00 0.00 -ATOM 8524 O1 H2O C2842 57.124 50.805 38.069 0.00 0.00 -ATOM 8525 H1 H2O C2842 58.024 50.747 37.637 0.00 0.00 -ATOM 8526 H2 H2O C2842 56.477 50.229 37.569 0.00 0.00 -ATOM 8527 O1 H2O C2843 16.127 55.980 49.476 0.00 0.00 -ATOM 8528 H1 H2O C2843 15.529 56.506 50.080 0.00 0.00 -ATOM 8529 H2 H2O C2843 16.853 56.573 49.126 0.00 0.00 -ATOM 8530 O1 H2O C2844 54.385 13.698 7.758 0.00 0.00 -ATOM 8531 H1 H2O C2844 53.848 12.855 7.797 0.00 0.00 -ATOM 8532 H2 H2O C2844 55.130 13.589 7.100 0.00 0.00 -ATOM 8533 O1 H2O C2845 27.722 10.287 4.903 0.00 0.00 -ATOM 8534 H1 H2O C2845 28.602 10.195 5.370 0.00 0.00 -ATOM 8535 H2 H2O C2845 27.410 11.235 4.965 0.00 0.00 -ATOM 8536 O1 H2O C2846 23.038 0.069 5.888 0.00 0.00 -ATOM 8537 H1 H2O C2846 23.037 0.417 6.825 0.00 0.00 -ATOM 8538 H2 H2O C2846 22.773 0.801 5.260 0.00 0.00 -ATOM 8539 O1 H2O C2847 25.470 29.310 24.930 0.00 0.00 -ATOM 8540 H1 H2O C2847 24.573 28.940 24.683 0.00 0.00 -ATOM 8541 H2 H2O C2847 25.441 29.655 25.868 0.00 0.00 -ATOM 8542 O1 H2O C2848 18.967 3.133 55.326 0.00 0.00 -ATOM 8543 H1 H2O C2848 18.605 3.682 54.573 0.00 0.00 -ATOM 8544 H2 H2O C2848 18.913 3.656 56.176 0.00 0.00 -ATOM 8545 O1 H2O C2849 7.713 12.727 54.198 0.00 0.00 -ATOM 8546 H1 H2O C2849 7.448 11.965 54.789 0.00 0.00 -ATOM 8547 H2 H2O C2849 8.595 12.527 53.773 0.00 0.00 -ATOM 8548 O1 H2O C2850 32.399 10.877 48.042 0.00 0.00 -ATOM 8549 H1 H2O C2850 32.953 10.275 48.618 0.00 0.00 -ATOM 8550 H2 H2O C2850 31.807 11.439 48.620 0.00 0.00 -ATOM 8551 O1 H2O C2851 11.150 4.032 40.581 0.00 0.00 -ATOM 8552 H1 H2O C2851 10.363 3.878 39.985 0.00 0.00 -ATOM 8553 H2 H2O C2851 11.994 3.903 40.060 0.00 0.00 -ATOM 8554 O1 H2O C2852 52.999 14.934 13.654 0.00 0.00 -ATOM 8555 H1 H2O C2852 52.430 15.724 13.885 0.00 0.00 -ATOM 8556 H2 H2O C2852 53.955 15.141 13.860 0.00 0.00 -ATOM 8557 O1 H2O C2853 22.835 24.075 17.335 0.00 0.00 -ATOM 8558 H1 H2O C2853 23.171 24.993 17.122 0.00 0.00 -ATOM 8559 H2 H2O C2853 22.615 23.595 16.486 0.00 0.00 -ATOM 8560 O1 H2O C2854 19.544 27.753 25.587 0.00 0.00 -ATOM 8561 H1 H2O C2854 19.291 27.518 24.649 0.00 0.00 -ATOM 8562 H2 H2O C2854 18.721 27.790 26.155 0.00 0.00 -ATOM 8563 O1 H2O C2855 45.069 56.646 17.230 0.00 0.00 -ATOM 8564 H1 H2O C2855 44.270 56.744 17.823 0.00 0.00 -ATOM 8565 H2 H2O C2855 44.892 57.094 16.354 0.00 0.00 -ATOM 8566 O1 H2O C2856 20.851 43.135 46.996 0.00 0.00 -ATOM 8567 H1 H2O C2856 20.354 43.291 46.142 0.00 0.00 -ATOM 8568 H2 H2O C2856 20.352 43.555 47.754 0.00 0.00 -ATOM 8569 O1 H2O C2857 38.736 45.371 40.995 0.00 0.00 -ATOM 8570 H1 H2O C2857 39.727 45.499 40.938 0.00 0.00 -ATOM 8571 H2 H2O C2857 38.486 45.119 41.930 0.00 0.00 -ATOM 8572 O1 H2O C2858 47.213 38.511 54.913 0.00 0.00 -ATOM 8573 H1 H2O C2858 46.873 38.158 55.785 0.00 0.00 -ATOM 8574 H2 H2O C2858 47.434 39.481 55.010 0.00 0.00 -ATOM 8575 O1 H2O C2859 15.882 23.224 48.344 0.00 0.00 -ATOM 8576 H1 H2O C2859 15.057 23.006 48.866 0.00 0.00 -ATOM 8577 H2 H2O C2859 16.568 23.622 48.953 0.00 0.00 -ATOM 8578 O1 H2O C2860 21.234 16.418 22.281 0.00 0.00 -ATOM 8579 H1 H2O C2860 20.785 17.183 22.741 0.00 0.00 -ATOM 8580 H2 H2O C2860 21.260 15.628 22.894 0.00 0.00 -ATOM 8581 O1 H2O C2861 31.022 37.689 26.846 0.00 0.00 -ATOM 8582 H1 H2O C2861 30.790 38.650 26.696 0.00 0.00 -ATOM 8583 H2 H2O C2861 30.896 37.463 27.812 0.00 0.00 -ATOM 8584 O1 H2O C2862 41.731 41.625 29.429 0.00 0.00 -ATOM 8585 H1 H2O C2862 41.454 40.987 28.711 0.00 0.00 -ATOM 8586 H2 H2O C2862 42.687 41.884 29.294 0.00 0.00 -ATOM 8587 O1 H2O C2863 57.859 28.244 2.378 0.00 0.00 -ATOM 8588 H1 H2O C2863 57.456 29.124 2.630 0.00 0.00 -ATOM 8589 H2 H2O C2863 58.528 27.974 3.070 0.00 0.00 -ATOM 8590 O1 H2O C2864 13.648 47.294 7.965 0.00 0.00 -ATOM 8591 H1 H2O C2864 13.415 46.686 7.206 0.00 0.00 -ATOM 8592 H2 H2O C2864 13.948 46.749 8.748 0.00 0.00 -ATOM 8593 O1 H2O C2865 39.606 58.022 6.974 0.00 0.00 -ATOM 8594 H1 H2O C2865 40.327 57.451 7.369 0.00 0.00 -ATOM 8595 H2 H2O C2865 39.569 57.876 5.986 0.00 0.00 -ATOM 8596 O1 H2O C2866 12.301 8.260 24.639 0.00 0.00 -ATOM 8597 H1 H2O C2866 11.628 8.967 24.855 0.00 0.00 -ATOM 8598 H2 H2O C2866 13.103 8.374 25.226 0.00 0.00 -ATOM 8599 O1 H2O C2867 53.475 2.239 55.927 0.00 0.00 -ATOM 8600 H1 H2O C2867 53.035 2.858 56.579 0.00 0.00 -ATOM 8601 H2 H2O C2867 53.993 2.773 55.259 0.00 0.00 -ATOM 8602 O1 H2O C2868 31.274 25.041 12.778 0.00 0.00 -ATOM 8603 H1 H2O C2868 30.980 25.535 13.596 0.00 0.00 -ATOM 8604 H2 H2O C2868 32.266 24.914 12.803 0.00 0.00 -ATOM 8605 O1 H2O C2869 8.155 35.646 6.904 0.00 0.00 -ATOM 8606 H1 H2O C2869 8.845 36.228 6.472 0.00 0.00 -ATOM 8607 H2 H2O C2869 8.597 34.839 7.295 0.00 0.00 -ATOM 8608 O1 H2O C2870 22.370 45.774 25.830 0.00 0.00 -ATOM 8609 H1 H2O C2870 22.231 45.055 25.149 0.00 0.00 -ATOM 8610 H2 H2O C2870 21.519 46.282 25.958 0.00 0.00 -ATOM 8611 O1 H2O C2871 4.025 22.873 56.449 0.00 0.00 -ATOM 8612 H1 H2O C2871 4.401 22.773 57.370 0.00 0.00 -ATOM 8613 H2 H2O C2871 4.588 22.359 55.801 0.00 0.00 -ATOM 8614 O1 H2O C2872 36.845 7.422 13.482 0.00 0.00 -ATOM 8615 H1 H2O C2872 37.013 8.269 13.988 0.00 0.00 -ATOM 8616 H2 H2O C2872 37.661 7.180 12.957 0.00 0.00 -ATOM 8617 O1 H2O C2873 46.431 39.901 29.448 0.00 0.00 -ATOM 8618 H1 H2O C2873 45.644 40.449 29.734 0.00 0.00 -ATOM 8619 H2 H2O C2873 46.160 39.295 28.700 0.00 0.00 -ATOM 8620 O1 H2O C2874 10.996 55.768 35.128 0.00 0.00 -ATOM 8621 H1 H2O C2874 11.815 55.571 35.666 0.00 0.00 -ATOM 8622 H2 H2O C2874 11.218 55.724 34.154 0.00 0.00 -ATOM 8623 O1 H2O C2875 5.431 48.662 34.735 0.00 0.00 -ATOM 8624 H1 H2O C2875 6.010 48.989 35.481 0.00 0.00 -ATOM 8625 H2 H2O C2875 4.519 48.451 35.087 0.00 0.00 -ATOM 8626 O1 H2O C2876 13.794 51.488 27.276 0.00 0.00 -ATOM 8627 H1 H2O C2876 12.947 51.486 27.806 0.00 0.00 -ATOM 8628 H2 H2O C2876 14.499 50.980 27.771 0.00 0.00 -ATOM 8629 O1 H2O C2877 38.612 41.008 3.575 0.00 0.00 -ATOM 8630 H1 H2O C2877 39.425 41.251 4.103 0.00 0.00 -ATOM 8631 H2 H2O C2877 38.137 40.251 4.022 0.00 0.00 -ATOM 8632 O1 H2O C2878 23.278 15.104 15.793 0.00 0.00 -ATOM 8633 H1 H2O C2878 23.245 15.649 14.955 0.00 0.00 -ATOM 8634 H2 H2O C2878 24.041 14.459 15.741 0.00 0.00 -ATOM 8635 O1 H2O C2879 25.280 21.678 25.701 0.00 0.00 -ATOM 8636 H1 H2O C2879 26.259 21.881 25.751 0.00 0.00 -ATOM 8637 H2 H2O C2879 24.764 22.534 25.668 0.00 0.00 -ATOM 8638 O1 H2O C2880 59.195 57.986 22.001 0.00 0.00 -ATOM 8639 H1 H2O C2880 59.992 57.387 21.928 0.00 0.00 -ATOM 8640 H2 H2O C2880 58.378 57.435 22.173 0.00 0.00 -ATOM 8641 O1 H2O C2881 9.939 5.256 39.356 0.00 0.00 -ATOM 8642 H1 H2O C2881 10.249 4.410 39.789 0.00 0.00 -ATOM 8643 H2 H2O C2881 10.702 5.678 38.866 0.00 0.00 -ATOM 8644 O1 H2O C2882 29.989 10.364 8.106 0.00 0.00 -ATOM 8645 H1 H2O C2882 29.731 10.227 9.062 0.00 0.00 -ATOM 8646 H2 H2O C2882 30.552 9.596 7.800 0.00 0.00 -ATOM 8647 O1 H2O C2883 49.699 13.683 36.709 0.00 0.00 -ATOM 8648 H1 H2O C2883 49.229 13.293 35.917 0.00 0.00 -ATOM 8649 H2 H2O C2883 49.737 13.002 37.441 0.00 0.00 -ATOM 8650 O1 H2O C2884 14.225 1.458 1.304 0.00 0.00 -ATOM 8651 H1 H2O C2884 14.836 0.737 1.630 0.00 0.00 -ATOM 8652 H2 H2O C2884 13.851 1.957 2.085 0.00 0.00 -ATOM 8653 O1 H2O C2885 14.071 59.115 50.443 0.00 0.00 -ATOM 8654 H1 H2O C2885 14.361 58.490 51.168 0.00 0.00 -ATOM 8655 H2 H2O C2885 14.656 59.926 50.449 0.00 0.00 -ATOM 8656 O1 H2O C2886 1.834 1.075 2.412 0.00 0.00 -ATOM 8657 H1 H2O C2886 1.973 1.477 1.506 0.00 0.00 -ATOM 8658 H2 H2O C2886 0.890 1.232 2.704 0.00 0.00 -ATOM 8659 O1 H2O C2887 7.987 28.893 46.005 0.00 0.00 -ATOM 8660 H1 H2O C2887 7.533 28.357 46.716 0.00 0.00 -ATOM 8661 H2 H2O C2887 8.846 29.260 46.362 0.00 0.00 -ATOM 8662 O1 H2O C2888 37.411 35.265 6.597 0.00 0.00 -ATOM 8663 H1 H2O C2888 38.134 35.175 7.282 0.00 0.00 -ATOM 8664 H2 H2O C2888 36.912 34.402 6.523 0.00 0.00 -ATOM 8665 O1 H2O C2889 58.321 1.315 56.172 0.00 0.00 -ATOM 8666 H1 H2O C2889 57.910 2.133 55.770 0.00 0.00 -ATOM 8667 H2 H2O C2889 57.598 0.691 56.468 0.00 0.00 -ATOM 8668 O1 H2O C2890 29.079 43.582 15.997 0.00 0.00 -ATOM 8669 H1 H2O C2890 28.286 43.913 15.485 0.00 0.00 -ATOM 8670 H2 H2O C2890 29.769 43.241 15.358 0.00 0.00 -ATOM 8671 O1 H2O C2891 53.104 22.323 2.029 0.00 0.00 -ATOM 8672 H1 H2O C2891 52.778 23.236 1.785 0.00 0.00 -ATOM 8673 H2 H2O C2891 53.796 22.397 2.747 0.00 0.00 -ATOM 8674 O1 H2O C2892 53.356 7.697 26.964 0.00 0.00 -ATOM 8675 H1 H2O C2892 53.163 8.676 26.890 0.00 0.00 -ATOM 8676 H2 H2O C2892 54.330 7.536 26.804 0.00 0.00 -ATOM 8677 O1 H2O C2893 49.647 9.504 37.908 0.00 0.00 -ATOM 8678 H1 H2O C2893 48.738 9.850 37.675 0.00 0.00 -ATOM 8679 H2 H2O C2893 49.560 8.615 38.359 0.00 0.00 -ATOM 8680 O1 H2O C2894 43.247 20.539 52.562 0.00 0.00 -ATOM 8681 H1 H2O C2894 42.413 20.585 53.111 0.00 0.00 -ATOM 8682 H2 H2O C2894 43.037 20.144 51.668 0.00 0.00 -ATOM 8683 O1 H2O C2895 8.731 25.679 25.983 0.00 0.00 -ATOM 8684 H1 H2O C2895 9.514 25.467 26.568 0.00 0.00 -ATOM 8685 H2 H2O C2895 8.037 26.162 26.517 0.00 0.00 -ATOM 8686 O1 H2O C2896 54.749 4.721 42.776 0.00 0.00 -ATOM 8687 H1 H2O C2896 54.337 4.359 41.941 0.00 0.00 -ATOM 8688 H2 H2O C2896 54.379 5.631 42.964 0.00 0.00 -ATOM 8689 O1 H2O C2897 55.346 13.964 54.523 0.00 0.00 -ATOM 8690 H1 H2O C2897 55.070 14.867 54.851 0.00 0.00 -ATOM 8691 H2 H2O C2897 54.545 13.474 54.180 0.00 0.00 -ATOM 8692 O1 H2O C2898 49.178 17.585 6.700 0.00 0.00 -ATOM 8693 H1 H2O C2898 49.239 16.953 5.926 0.00 0.00 -ATOM 8694 H2 H2O C2898 49.142 17.064 7.553 0.00 0.00 -ATOM 8695 O1 H2O C2899 46.410 39.788 9.595 0.00 0.00 -ATOM 8696 H1 H2O C2899 47.125 40.109 8.974 0.00 0.00 -ATOM 8697 H2 H2O C2899 46.827 39.464 10.445 0.00 0.00 -ATOM 8698 O1 H2O C2900 29.470 29.773 35.518 0.00 0.00 -ATOM 8699 H1 H2O C2900 28.738 30.321 35.114 0.00 0.00 -ATOM 8700 H2 H2O C2900 29.702 30.139 36.419 0.00 0.00 -ATOM 8701 O1 H2O C2901 29.182 48.460 12.214 0.00 0.00 -ATOM 8702 H1 H2O C2901 28.975 48.214 11.267 0.00 0.00 -ATOM 8703 H2 H2O C2901 28.329 48.637 12.706 0.00 0.00 -ATOM 8704 O1 H2O C2902 27.437 56.889 35.302 0.00 0.00 -ATOM 8705 H1 H2O C2902 26.842 56.827 36.103 0.00 0.00 -ATOM 8706 H2 H2O C2902 28.169 57.547 35.481 0.00 0.00 -ATOM 8707 O1 H2O C2903 21.621 29.374 0.732 0.00 0.00 -ATOM 8708 H1 H2O C2903 20.827 28.804 0.517 0.00 0.00 -ATOM 8709 H2 H2O C2903 22.383 28.791 1.011 0.00 0.00 -ATOM 8710 O1 H2O C2904 5.725 49.235 6.679 0.00 0.00 -ATOM 8711 H1 H2O C2904 5.748 48.586 5.919 0.00 0.00 -ATOM 8712 H2 H2O C2904 6.166 48.826 7.479 0.00 0.00 -ATOM 8713 O1 H2O C2905 41.801 2.620 42.885 0.00 0.00 -ATOM 8714 H1 H2O C2905 42.404 2.596 42.088 0.00 0.00 -ATOM 8715 H2 H2O C2905 41.719 1.701 43.270 0.00 0.00 -ATOM 8716 O1 H2O C2906 12.088 34.659 2.568 0.00 0.00 -ATOM 8717 H1 H2O C2906 12.766 33.940 2.720 0.00 0.00 -ATOM 8718 H2 H2O C2906 11.316 34.286 2.053 0.00 0.00 -ATOM 8719 O1 H2O C2907 10.069 16.206 36.486 0.00 0.00 -ATOM 8720 H1 H2O C2907 10.767 16.922 36.498 0.00 0.00 -ATOM 8721 H2 H2O C2907 9.752 16.065 35.548 0.00 0.00 -ATOM 8722 O1 H2O C2908 3.183 37.990 50.172 0.00 0.00 -ATOM 8723 H1 H2O C2908 3.435 38.087 49.209 0.00 0.00 -ATOM 8724 H2 H2O C2908 2.193 38.098 50.269 0.00 0.00 -ATOM 8725 O1 H2O C2909 58.290 38.193 49.041 0.00 0.00 -ATOM 8726 H1 H2O C2909 58.822 38.391 48.218 0.00 0.00 -ATOM 8727 H2 H2O C2909 58.855 37.684 49.690 0.00 0.00 -ATOM 8728 O1 H2O C2910 52.383 29.548 22.541 0.00 0.00 -ATOM 8729 H1 H2O C2910 53.006 30.329 22.576 0.00 0.00 -ATOM 8730 H2 H2O C2910 52.769 28.839 21.951 0.00 0.00 -ATOM 8731 O1 H2O C2911 35.956 12.328 54.422 0.00 0.00 -ATOM 8732 H1 H2O C2911 36.940 12.500 54.466 0.00 0.00 -ATOM 8733 H2 H2O C2911 35.477 12.981 55.008 0.00 0.00 -ATOM 8734 O1 H2O C2912 56.217 13.120 5.267 0.00 0.00 -ATOM 8735 H1 H2O C2912 56.805 12.314 5.338 0.00 0.00 -ATOM 8736 H2 H2O C2912 55.692 13.075 4.417 0.00 0.00 -ATOM 8737 O1 H2O C2913 41.519 23.696 0.313 0.00 0.00 -ATOM 8738 H1 H2O C2913 42.174 24.214 0.863 0.00 0.00 -ATOM 8739 H2 H2O C2913 41.071 23.010 0.886 0.00 0.00 -ATOM 8740 O1 H2O C2914 59.077 53.423 31.253 0.00 0.00 -ATOM 8741 H1 H2O C2914 58.113 53.160 31.251 0.00 0.00 -ATOM 8742 H2 H2O C2914 59.528 53.043 30.445 0.00 0.00 -ATOM 8743 O1 H2O C2915 42.202 30.472 35.740 0.00 0.00 -ATOM 8744 H1 H2O C2915 41.949 30.439 36.707 0.00 0.00 -ATOM 8745 H2 H2O C2915 42.881 29.763 35.549 0.00 0.00 -ATOM 8746 O1 H2O C2916 19.098 6.838 35.943 0.00 0.00 -ATOM 8747 H1 H2O C2916 18.335 7.485 35.942 0.00 0.00 -ATOM 8748 H2 H2O C2916 19.749 7.090 35.226 0.00 0.00 -ATOM 8749 O1 H2O C2917 16.787 4.725 24.677 0.00 0.00 -ATOM 8750 H1 H2O C2917 15.879 4.313 24.744 0.00 0.00 -ATOM 8751 H2 H2O C2917 17.432 4.203 25.235 0.00 0.00 -ATOM 8752 O1 H2O C2918 5.301 40.147 58.069 0.00 0.00 -ATOM 8753 H1 H2O C2918 4.553 39.672 57.605 0.00 0.00 -ATOM 8754 H2 H2O C2918 5.183 40.066 59.059 0.00 0.00 -ATOM 8755 O1 H2O C2919 24.706 56.265 53.309 0.00 0.00 -ATOM 8756 H1 H2O C2919 25.037 57.206 53.240 0.00 0.00 -ATOM 8757 H2 H2O C2919 25.481 55.649 53.453 0.00 0.00 -ATOM 8758 O1 H2O C2920 28.390 49.221 52.200 0.00 0.00 -ATOM 8759 H1 H2O C2920 28.751 49.623 51.359 0.00 0.00 -ATOM 8760 H2 H2O C2920 29.088 49.263 52.915 0.00 0.00 -ATOM 8761 O1 H2O C2921 45.798 14.806 53.938 0.00 0.00 -ATOM 8762 H1 H2O C2921 45.515 15.433 53.213 0.00 0.00 -ATOM 8763 H2 H2O C2921 45.015 14.255 54.227 0.00 0.00 -ATOM 8764 O1 H2O C2922 4.505 12.963 28.062 0.00 0.00 -ATOM 8765 H1 H2O C2922 4.509 13.587 28.843 0.00 0.00 -ATOM 8766 H2 H2O C2922 5.189 13.259 27.395 0.00 0.00 -ATOM 8767 O1 H2O C2923 24.832 5.486 16.247 0.00 0.00 -ATOM 8768 H1 H2O C2923 25.707 5.298 16.693 0.00 0.00 -ATOM 8769 H2 H2O C2923 24.995 5.793 15.310 0.00 0.00 -ATOM 8770 O1 H2O C2924 4.226 21.358 54.693 0.00 0.00 -ATOM 8771 H1 H2O C2924 5.206 21.547 54.750 0.00 0.00 -ATOM 8772 H2 H2O C2924 4.077 20.537 54.141 0.00 0.00 -ATOM 8773 O1 H2O C2925 50.262 27.714 20.734 0.00 0.00 -ATOM 8774 H1 H2O C2925 49.263 27.682 20.738 0.00 0.00 -ATOM 8775 H2 H2O C2925 50.566 28.662 20.830 0.00 0.00 -ATOM 8776 O1 H2O C2926 7.591 37.359 29.357 0.00 0.00 -ATOM 8777 H1 H2O C2926 7.715 37.070 30.307 0.00 0.00 -ATOM 8778 H2 H2O C2926 7.128 36.634 28.847 0.00 0.00 -ATOM 8779 O1 H2O C2927 26.285 44.254 56.523 0.00 0.00 -ATOM 8780 H1 H2O C2927 25.476 43.812 56.134 0.00 0.00 -ATOM 8781 H2 H2O C2927 26.232 45.240 56.368 0.00 0.00 -ATOM 8782 O1 H2O C2928 2.441 36.156 49.687 0.00 0.00 -ATOM 8783 H1 H2O C2928 2.704 36.149 48.723 0.00 0.00 -ATOM 8784 H2 H2O C2928 3.017 35.514 50.194 0.00 0.00 -ATOM 8785 O1 H2O C2929 30.195 31.443 5.860 0.00 0.00 -ATOM 8786 H1 H2O C2929 29.781 32.138 6.447 0.00 0.00 -ATOM 8787 H2 H2O C2929 30.475 31.860 4.996 0.00 0.00 -ATOM 8788 O1 H2O C2930 28.641 5.213 58.089 0.00 0.00 -ATOM 8789 H1 H2O C2930 28.250 6.108 58.305 0.00 0.00 -ATOM 8790 H2 H2O C2930 29.557 5.145 58.485 0.00 0.00 -ATOM 8791 O1 H2O C2931 21.833 38.546 56.981 0.00 0.00 -ATOM 8792 H1 H2O C2931 21.565 38.701 56.031 0.00 0.00 -ATOM 8793 H2 H2O C2931 22.469 39.263 57.269 0.00 0.00 -ATOM 8794 O1 H2O C2932 41.300 57.038 47.221 0.00 0.00 -ATOM 8795 H1 H2O C2932 41.978 57.143 46.493 0.00 0.00 -ATOM 8796 H2 H2O C2932 41.577 57.579 48.015 0.00 0.00 -ATOM 8797 O1 H2O C2933 56.226 13.066 8.504 0.00 0.00 -ATOM 8798 H1 H2O C2933 55.234 13.188 8.452 0.00 0.00 -ATOM 8799 H2 H2O C2933 56.670 13.656 7.829 0.00 0.00 -ATOM 8800 O1 H2O C2934 46.748 22.748 4.906 0.00 0.00 -ATOM 8801 H1 H2O C2934 45.854 22.927 5.316 0.00 0.00 -ATOM 8802 H2 H2O C2934 46.654 22.691 3.912 0.00 0.00 -ATOM 8803 O1 H2O C2935 10.024 41.090 39.479 0.00 0.00 -ATOM 8804 H1 H2O C2935 9.770 41.388 40.400 0.00 0.00 -ATOM 8805 H2 H2O C2935 9.798 40.122 39.368 0.00 0.00 -ATOM 8806 O1 H2O C2936 37.632 53.298 26.425 0.00 0.00 -ATOM 8807 H1 H2O C2936 36.902 52.678 26.138 0.00 0.00 -ATOM 8808 H2 H2O C2936 38.487 53.037 25.977 0.00 0.00 -ATOM 8809 O1 H2O C2937 16.062 6.271 27.418 0.00 0.00 -ATOM 8810 H1 H2O C2937 16.425 6.698 28.247 0.00 0.00 -ATOM 8811 H2 H2O C2937 16.495 5.379 27.286 0.00 0.00 -ATOM 8812 O1 H2O C2938 12.015 42.214 50.744 0.00 0.00 -ATOM 8813 H1 H2O C2938 11.260 42.603 51.271 0.00 0.00 -ATOM 8814 H2 H2O C2938 11.918 42.470 49.782 0.00 0.00 -ATOM 8815 O1 H2O C2939 14.738 3.231 46.680 0.00 0.00 -ATOM 8816 H1 H2O C2939 15.134 4.087 47.012 0.00 0.00 -ATOM 8817 H2 H2O C2939 14.139 3.420 45.902 0.00 0.00 -ATOM 8818 O1 H2O C2940 20.011 50.023 24.077 0.00 0.00 -ATOM 8819 H1 H2O C2940 20.482 49.932 24.955 0.00 0.00 -ATOM 8820 H2 H2O C2940 19.023 50.060 24.231 0.00 0.00 -ATOM 8821 O1 H2O C2941 56.643 15.883 13.258 0.00 0.00 -ATOM 8822 H1 H2O C2941 57.126 16.400 13.964 0.00 0.00 -ATOM 8823 H2 H2O C2941 57.213 15.118 12.956 0.00 0.00 -ATOM 8824 O1 H2O C2942 3.860 36.497 30.215 0.00 0.00 -ATOM 8825 H1 H2O C2942 3.703 36.774 31.162 0.00 0.00 -ATOM 8826 H2 H2O C2942 3.299 35.697 30.004 0.00 0.00 -ATOM 8827 O1 H2O C2943 59.110 0.045 5.748 0.00 0.00 -ATOM 8828 H1 H2O C2943 58.889 1.011 5.882 0.00 0.00 -ATOM 8829 H2 H2O C2943 59.710 -0.266 6.484 0.00 0.00 -ATOM 8830 O1 H2O C2944 23.834 22.875 51.564 0.00 0.00 -ATOM 8831 H1 H2O C2944 23.091 22.754 52.221 0.00 0.00 -ATOM 8832 H2 H2O C2944 24.694 22.569 51.973 0.00 0.00 -ATOM 8833 O1 H2O C2945 28.128 34.280 57.406 0.00 0.00 -ATOM 8834 H1 H2O C2945 28.189 34.462 58.388 0.00 0.00 -ATOM 8835 H2 H2O C2945 27.407 34.845 57.006 0.00 0.00 -ATOM 8836 O1 H2O C2946 17.595 56.390 34.502 0.00 0.00 -ATOM 8837 H1 H2O C2946 17.080 57.168 34.861 0.00 0.00 -ATOM 8838 H2 H2O C2946 18.574 56.593 34.541 0.00 0.00 -ATOM 8839 O1 H2O C2947 22.561 38.210 32.080 0.00 0.00 -ATOM 8840 H1 H2O C2947 22.008 38.049 31.263 0.00 0.00 -ATOM 8841 H2 H2O C2947 23.362 38.757 31.838 0.00 0.00 -ATOM 8842 O1 H2O C2948 4.564 39.777 2.887 0.00 0.00 -ATOM 8843 H1 H2O C2948 3.991 40.109 3.636 0.00 0.00 -ATOM 8844 H2 H2O C2948 4.708 38.792 2.988 0.00 0.00 -ATOM 8845 O1 H2O C2949 48.922 9.951 24.389 0.00 0.00 -ATOM 8846 H1 H2O C2949 49.011 10.277 23.448 0.00 0.00 -ATOM 8847 H2 H2O C2949 49.825 9.922 24.818 0.00 0.00 -ATOM 8848 O1 H2O C2950 49.243 35.423 58.874 0.00 0.00 -ATOM 8849 H1 H2O C2950 50.121 34.977 59.049 0.00 0.00 -ATOM 8850 H2 H2O C2950 48.965 35.252 57.928 0.00 0.00 -ATOM 8851 O1 H2O C2951 23.737 10.734 30.331 0.00 0.00 -ATOM 8852 H1 H2O C2951 22.966 10.915 30.942 0.00 0.00 -ATOM 8853 H2 H2O C2951 24.568 10.604 30.872 0.00 0.00 -ATOM 8854 O1 H2O C2952 5.931 50.276 4.954 0.00 0.00 -ATOM 8855 H1 H2O C2952 6.188 49.988 5.877 0.00 0.00 -ATOM 8856 H2 H2O C2952 5.045 49.878 4.716 0.00 0.00 -ATOM 8857 O1 H2O C2953 16.019 16.708 12.241 0.00 0.00 -ATOM 8858 H1 H2O C2953 16.451 16.049 12.857 0.00 0.00 -ATOM 8859 H2 H2O C2953 16.659 16.953 11.513 0.00 0.00 -ATOM 8860 O1 H2O C2954 21.533 56.541 6.465 0.00 0.00 -ATOM 8861 H1 H2O C2954 22.434 56.555 6.032 0.00 0.00 -ATOM 8862 H2 H2O C2954 20.832 56.752 5.784 0.00 0.00 -ATOM 8863 O1 H2O C2955 7.716 31.186 18.203 0.00 0.00 -ATOM 8864 H1 H2O C2955 7.143 30.850 17.456 0.00 0.00 -ATOM 8865 H2 H2O C2955 8.620 31.425 17.849 0.00 0.00 -ATOM 8866 O1 H2O C2956 16.178 43.439 44.352 0.00 0.00 -ATOM 8867 H1 H2O C2956 17.106 43.756 44.550 0.00 0.00 -ATOM 8868 H2 H2O C2956 16.103 43.214 43.381 0.00 0.00 -ATOM 8869 O1 H2O C2957 19.823 36.516 23.151 0.00 0.00 -ATOM 8870 H1 H2O C2957 20.263 37.401 23.001 0.00 0.00 -ATOM 8871 H2 H2O C2957 20.420 35.937 23.707 0.00 0.00 -ATOM 8872 O1 H2O C2958 12.119 7.597 43.121 0.00 0.00 -ATOM 8873 H1 H2O C2958 11.194 7.646 43.498 0.00 0.00 -ATOM 8874 H2 H2O C2958 12.685 8.310 43.534 0.00 0.00 -ATOM 8875 O1 H2O C2959 23.188 21.791 20.567 0.00 0.00 -ATOM 8876 H1 H2O C2959 23.269 21.919 21.555 0.00 0.00 -ATOM 8877 H2 H2O C2959 22.381 21.236 20.368 0.00 0.00 -ATOM 8878 O1 H2O C2960 46.536 23.990 25.675 0.00 0.00 -ATOM 8879 H1 H2O C2960 45.813 24.681 25.665 0.00 0.00 -ATOM 8880 H2 H2O C2960 46.802 23.773 24.736 0.00 0.00 -ATOM 8881 O1 H2O C2961 10.491 46.797 0.258 0.00 0.00 -ATOM 8882 H1 H2O C2961 10.644 47.697 0.666 0.00 0.00 -ATOM 8883 H2 H2O C2961 10.370 46.894 -0.730 0.00 0.00 -ATOM 8884 O1 H2O C2962 15.158 59.931 56.049 0.00 0.00 -ATOM 8885 H1 H2O C2962 15.634 59.456 56.789 0.00 0.00 -ATOM 8886 H2 H2O C2962 15.423 59.532 55.171 0.00 0.00 -ATOM 8887 O1 H2O C2963 26.586 38.417 15.898 0.00 0.00 -ATOM 8888 H1 H2O C2963 26.752 37.708 15.213 0.00 0.00 -ATOM 8889 H2 H2O C2963 26.169 39.214 15.459 0.00 0.00 -ATOM 8890 O1 H2O C2964 33.023 39.914 36.173 0.00 0.00 -ATOM 8891 H1 H2O C2964 33.996 39.741 36.324 0.00 0.00 -ATOM 8892 H2 H2O C2964 32.489 39.451 36.880 0.00 0.00 -ATOM 8893 O1 H2O C2965 47.327 58.730 58.512 0.00 0.00 -ATOM 8894 H1 H2O C2965 46.692 57.961 58.444 0.00 0.00 -ATOM 8895 H2 H2O C2965 47.107 59.272 59.323 0.00 0.00 -ATOM 8896 O1 H2O C2966 45.465 44.032 58.966 0.00 0.00 -ATOM 8897 H1 H2O C2966 45.060 44.634 58.277 0.00 0.00 -ATOM 8898 H2 H2O C2966 46.386 43.768 58.679 0.00 0.00 -ATOM 8899 O1 H2O C2967 35.923 36.770 18.631 0.00 0.00 -ATOM 8900 H1 H2O C2967 35.791 36.965 19.603 0.00 0.00 -ATOM 8901 H2 H2O C2967 36.901 36.706 18.434 0.00 0.00 -ATOM 8902 O1 H2O C2968 4.488 39.693 51.900 0.00 0.00 -ATOM 8903 H1 H2O C2968 4.663 38.964 51.239 0.00 0.00 -ATOM 8904 H2 H2O C2968 5.207 40.385 51.832 0.00 0.00 -ATOM 8905 O1 H2O C2969 14.405 26.081 34.174 0.00 0.00 -ATOM 8906 H1 H2O C2969 14.669 25.615 35.018 0.00 0.00 -ATOM 8907 H2 H2O C2969 14.707 27.034 34.210 0.00 0.00 -ATOM 8908 O1 H2O C2970 49.423 30.587 42.784 0.00 0.00 -ATOM 8909 H1 H2O C2970 49.076 31.114 42.008 0.00 0.00 -ATOM 8910 H2 H2O C2970 50.342 30.252 42.574 0.00 0.00 -ATOM 8911 O1 H2O C2971 33.190 56.616 7.390 0.00 0.00 -ATOM 8912 H1 H2O C2971 33.747 55.916 7.837 0.00 0.00 -ATOM 8913 H2 H2O C2971 33.028 56.356 6.438 0.00 0.00 -ATOM 8914 O1 H2O C2972 56.650 5.914 14.201 0.00 0.00 -ATOM 8915 H1 H2O C2972 57.055 5.081 13.824 0.00 0.00 -ATOM 8916 H2 H2O C2972 56.035 6.320 13.526 0.00 0.00 -ATOM 8917 O1 H2O C2973 24.000 47.116 33.823 0.00 0.00 -ATOM 8918 H1 H2O C2973 23.877 46.150 33.594 0.00 0.00 -ATOM 8919 H2 H2O C2973 23.108 47.568 33.849 0.00 0.00 -ATOM 8920 O1 H2O C2974 58.917 16.417 13.508 0.00 0.00 -ATOM 8921 H1 H2O C2974 58.094 16.476 14.074 0.00 0.00 -ATOM 8922 H2 H2O C2974 59.655 16.938 13.938 0.00 0.00 -ATOM 8923 O1 H2O C2975 58.168 8.495 1.231 0.00 0.00 -ATOM 8924 H1 H2O C2975 58.772 8.531 0.435 0.00 0.00 -ATOM 8925 H2 H2O C2975 57.283 8.896 0.997 0.00 0.00 -ATOM 8926 O1 H2O C2976 28.992 40.611 39.032 0.00 0.00 -ATOM 8927 H1 H2O C2976 29.380 41.521 39.177 0.00 0.00 -ATOM 8928 H2 H2O C2976 29.334 40.236 38.171 0.00 0.00 -ATOM 8929 O1 H2O C2977 28.705 7.348 11.341 0.00 0.00 -ATOM 8930 H1 H2O C2977 28.662 6.646 12.052 0.00 0.00 -ATOM 8931 H2 H2O C2977 28.846 6.914 10.452 0.00 0.00 -ATOM 8932 O1 H2O C2978 16.024 28.577 47.913 0.00 0.00 -ATOM 8933 H1 H2O C2978 15.897 29.566 47.982 0.00 0.00 -ATOM 8934 H2 H2O C2978 16.631 28.266 48.643 0.00 0.00 -ATOM 8935 O1 H2O C2979 15.736 19.913 33.564 0.00 0.00 -ATOM 8936 H1 H2O C2979 16.194 19.312 32.909 0.00 0.00 -ATOM 8937 H2 H2O C2979 16.420 20.351 34.148 0.00 0.00 -ATOM 8938 O1 H2O C2980 26.949 41.699 0.640 0.00 0.00 -ATOM 8939 H1 H2O C2980 26.912 41.562 1.630 0.00 0.00 -ATOM 8940 H2 H2O C2980 26.757 40.834 0.176 0.00 0.00 -ATOM 8941 O1 H2O C2981 47.421 17.925 36.262 0.00 0.00 -ATOM 8942 H1 H2O C2981 47.607 17.660 37.208 0.00 0.00 -ATOM 8943 H2 H2O C2981 48.271 18.220 35.825 0.00 0.00 -ATOM 8944 O1 H2O C2982 9.102 58.308 23.278 0.00 0.00 -ATOM 8945 H1 H2O C2982 9.442 57.383 23.109 0.00 0.00 -ATOM 8946 H2 H2O C2982 8.836 58.395 24.238 0.00 0.00 -ATOM 8947 O1 H2O C2983 5.317 47.724 5.563 0.00 0.00 -ATOM 8948 H1 H2O C2983 5.640 47.346 6.431 0.00 0.00 -ATOM 8949 H2 H2O C2983 4.496 47.232 5.271 0.00 0.00 -ATOM 8950 O1 H2O C2984 37.778 34.506 27.527 0.00 0.00 -ATOM 8951 H1 H2O C2984 37.791 35.069 26.701 0.00 0.00 -ATOM 8952 H2 H2O C2984 38.449 34.858 28.180 0.00 0.00 -ATOM 8953 O1 H2O C2985 12.704 45.924 9.917 0.00 0.00 -ATOM 8954 H1 H2O C2985 12.846 44.965 9.668 0.00 0.00 -ATOM 8955 H2 H2O C2985 13.576 46.411 9.878 0.00 0.00 -ATOM 8956 O1 H2O C2986 53.328 47.137 30.807 0.00 0.00 -ATOM 8957 H1 H2O C2986 52.709 46.979 30.038 0.00 0.00 -ATOM 8958 H2 H2O C2986 54.211 47.457 30.464 0.00 0.00 -ATOM 8959 O1 H2O C2987 33.989 34.216 30.678 0.00 0.00 -ATOM 8960 H1 H2O C2987 33.324 34.051 29.950 0.00 0.00 -ATOM 8961 H2 H2O C2987 34.798 34.662 30.296 0.00 0.00 -ATOM 8962 O1 H2O C2988 11.301 4.785 24.182 0.00 0.00 -ATOM 8963 H1 H2O C2988 10.330 4.677 23.967 0.00 0.00 -ATOM 8964 H2 H2O C2988 11.543 4.184 24.943 0.00 0.00 -ATOM 8965 O1 H2O C2989 28.654 33.117 1.443 0.00 0.00 -ATOM 8966 H1 H2O C2989 28.593 32.119 1.455 0.00 0.00 -ATOM 8967 H2 H2O C2989 27.992 33.484 0.789 0.00 0.00 -ATOM 8968 O1 H2O C2990 40.153 16.156 9.070 0.00 0.00 -ATOM 8969 H1 H2O C2990 40.304 15.375 9.676 0.00 0.00 -ATOM 8970 H2 H2O C2990 39.296 16.608 9.317 0.00 0.00 -ATOM 8971 O1 H2O C2991 5.585 53.316 40.641 0.00 0.00 -ATOM 8972 H1 H2O C2991 5.431 53.345 41.629 0.00 0.00 -ATOM 8973 H2 H2O C2991 5.009 52.608 40.234 0.00 0.00 -ATOM 8974 O1 H2O C2992 23.452 35.739 57.119 0.00 0.00 -ATOM 8975 H1 H2O C2992 22.755 35.101 57.446 0.00 0.00 -ATOM 8976 H2 H2O C2992 23.826 35.409 56.252 0.00 0.00 -ATOM 8977 O1 H2O C2993 33.662 19.746 28.468 0.00 0.00 -ATOM 8978 H1 H2O C2993 33.644 19.593 27.480 0.00 0.00 -ATOM 8979 H2 H2O C2993 33.657 18.866 28.942 0.00 0.00 -ATOM 8980 O1 H2O C2994 55.491 28.004 28.629 0.00 0.00 -ATOM 8981 H1 H2O C2994 54.930 27.563 27.929 0.00 0.00 -ATOM 8982 H2 H2O C2994 55.744 27.333 29.325 0.00 0.00 -ATOM 8983 O1 H2O C2995 8.466 11.182 39.359 0.00 0.00 -ATOM 8984 H1 H2O C2995 7.650 11.733 39.186 0.00 0.00 -ATOM 8985 H2 H2O C2995 9.280 11.758 39.283 0.00 0.00 -ATOM 8986 O1 H2O C2996 35.841 12.615 49.396 0.00 0.00 -ATOM 8987 H1 H2O C2996 36.709 12.705 48.907 0.00 0.00 -ATOM 8988 H2 H2O C2996 35.736 13.380 50.032 0.00 0.00 -ATOM 8989 O1 H2O C2997 56.498 37.971 31.328 0.00 0.00 -ATOM 8990 H1 H2O C2997 56.220 37.152 31.830 0.00 0.00 -ATOM 8991 H2 H2O C2997 57.108 38.521 31.899 0.00 0.00 -ATOM 8992 O1 H2O C2998 50.836 25.953 8.260 0.00 0.00 -ATOM 8993 H1 H2O C2998 51.301 25.549 9.048 0.00 0.00 -ATOM 8994 H2 H2O C2998 49.998 25.442 8.069 0.00 0.00 -ATOM 8995 O1 H2O C2999 9.000 21.195 16.377 0.00 0.00 -ATOM 8996 H1 H2O C2999 9.635 21.231 15.605 0.00 0.00 -ATOM 8997 H2 H2O C2999 8.061 21.263 16.039 0.00 0.00 -ATOM 8998 O1 H2O C3000 37.545 17.113 32.395 0.00 0.00 -ATOM 8999 H1 H2O C3000 37.220 16.257 32.796 0.00 0.00 -ATOM 9000 H2 H2O C3000 37.216 17.188 31.454 0.00 0.00 -ATOM 9001 O1 H2O C3001 32.451 47.454 54.056 0.00 0.00 -ATOM 9002 H1 H2O C3001 31.634 46.963 54.358 0.00 0.00 -ATOM 9003 H2 H2O C3001 32.895 47.879 54.845 0.00 0.00 -ATOM 9004 O1 H2O C3002 4.232 49.167 54.028 0.00 0.00 -ATOM 9005 H1 H2O C3002 4.692 48.536 53.402 0.00 0.00 -ATOM 9006 H2 H2O C3002 4.382 50.107 53.722 0.00 0.00 -ATOM 9007 O1 H2O C3003 4.943 2.185 33.604 0.00 0.00 -ATOM 9008 H1 H2O C3003 5.128 1.202 33.598 0.00 0.00 -ATOM 9009 H2 H2O C3003 4.959 2.533 32.667 0.00 0.00 -ATOM 9010 O1 H2O C3004 42.535 10.220 44.018 0.00 0.00 -ATOM 9011 H1 H2O C3004 43.514 10.068 44.154 0.00 0.00 -ATOM 9012 H2 H2O C3004 42.357 11.201 43.944 0.00 0.00 -ATOM 9013 O1 H2O C3005 13.741 23.349 1.586 0.00 0.00 -ATOM 9014 H1 H2O C3005 14.735 23.397 1.479 0.00 0.00 -ATOM 9015 H2 H2O C3005 13.507 23.415 2.555 0.00 0.00 -ATOM 9016 O1 H2O C3006 13.190 31.921 7.880 0.00 0.00 -ATOM 9017 H1 H2O C3006 12.888 31.723 8.813 0.00 0.00 -ATOM 9018 H2 H2O C3006 12.399 32.158 7.317 0.00 0.00 -ATOM 9019 O1 H2O C3007 51.926 5.527 41.267 0.00 0.00 -ATOM 9020 H1 H2O C3007 51.958 5.632 42.261 0.00 0.00 -ATOM 9021 H2 H2O C3007 52.608 4.853 40.981 0.00 0.00 -ATOM 9022 O1 H2O C3008 57.890 33.057 48.315 0.00 0.00 -ATOM 9023 H1 H2O C3008 58.668 33.283 48.902 0.00 0.00 -ATOM 9024 H2 H2O C3008 57.627 32.104 48.463 0.00 0.00 -ATOM 9025 O1 H2O C3009 26.710 47.938 44.362 0.00 0.00 -ATOM 9026 H1 H2O C3009 27.222 48.778 44.183 0.00 0.00 -ATOM 9027 H2 H2O C3009 26.870 47.645 45.305 0.00 0.00 -ATOM 9028 O1 H2O C3010 44.306 48.425 1.232 0.00 0.00 -ATOM 9029 H1 H2O C3010 45.112 48.481 1.821 0.00 0.00 -ATOM 9030 H2 H2O C3010 43.505 48.758 1.730 0.00 0.00 -ATOM 9031 O1 H2O C3011 34.231 46.553 14.003 0.00 0.00 -ATOM 9032 H1 H2O C3011 33.959 47.008 13.155 0.00 0.00 -ATOM 9033 H2 H2O C3011 33.479 46.595 14.661 0.00 0.00 -ATOM 9034 O1 H2O C3012 48.867 34.680 58.411 0.00 0.00 -ATOM 9035 H1 H2O C3012 49.083 35.654 58.471 0.00 0.00 -ATOM 9036 H2 H2O C3012 47.903 34.537 58.638 0.00 0.00 -ATOM 9037 O1 H2O C3013 35.900 21.003 25.535 0.00 0.00 -ATOM 9038 H1 H2O C3013 34.981 21.383 25.646 0.00 0.00 -ATOM 9039 H2 H2O C3013 36.260 21.257 24.638 0.00 0.00 -ATOM 9040 O1 H2O C3014 50.689 37.079 27.502 0.00 0.00 -ATOM 9041 H1 H2O C3014 49.932 37.456 28.036 0.00 0.00 -ATOM 9042 H2 H2O C3014 50.706 37.507 26.599 0.00 0.00 -ATOM 9043 O1 H2O C3015 35.996 48.035 53.777 0.00 0.00 -ATOM 9044 H1 H2O C3015 36.664 47.327 53.549 0.00 0.00 -ATOM 9045 H2 H2O C3015 35.976 48.168 54.768 0.00 0.00 -ATOM 9046 O1 H2O C3016 29.122 55.795 37.717 0.00 0.00 -ATOM 9047 H1 H2O C3016 30.113 55.733 37.596 0.00 0.00 -ATOM 9048 H2 H2O C3016 28.715 56.233 36.915 0.00 0.00 -ATOM 9049 O1 H2O C3017 29.198 58.851 37.470 0.00 0.00 -ATOM 9050 H1 H2O C3017 29.348 58.725 36.490 0.00 0.00 -ATOM 9051 H2 H2O C3017 28.411 58.306 37.760 0.00 0.00 -ATOM 9052 O1 H2O C3018 3.439 14.191 56.268 0.00 0.00 -ATOM 9053 H1 H2O C3018 3.670 15.156 56.141 0.00 0.00 -ATOM 9054 H2 H2O C3018 4.176 13.735 56.765 0.00 0.00 -ATOM 9055 O1 H2O C3019 36.715 29.162 25.828 0.00 0.00 -ATOM 9056 H1 H2O C3019 37.392 29.771 25.414 0.00 0.00 -ATOM 9057 H2 H2O C3019 36.410 28.493 25.151 0.00 0.00 -ATOM 9058 O1 H2O C3020 58.812 41.949 11.887 0.00 0.00 -ATOM 9059 H1 H2O C3020 58.269 42.788 11.919 0.00 0.00 -ATOM 9060 H2 H2O C3020 58.371 41.290 11.278 0.00 0.00 -ATOM 9061 O1 H2O C3021 22.709 28.494 50.527 0.00 0.00 -ATOM 9062 H1 H2O C3021 21.984 29.180 50.591 0.00 0.00 -ATOM 9063 H2 H2O C3021 22.899 28.298 49.565 0.00 0.00 -ATOM 9064 O1 H2O C3022 48.366 30.946 12.664 0.00 0.00 -ATOM 9065 H1 H2O C3022 47.723 31.350 13.314 0.00 0.00 -ATOM 9066 H2 H2O C3022 47.905 30.230 12.140 0.00 0.00 -ATOM 9067 O1 H2O C3023 51.271 39.522 54.566 0.00 0.00 -ATOM 9068 H1 H2O C3023 51.634 40.073 55.317 0.00 0.00 -ATOM 9069 H2 H2O C3023 50.885 40.124 53.867 0.00 0.00 -ATOM 9070 O1 H2O C3024 2.528 8.276 13.063 0.00 0.00 -ATOM 9071 H1 H2O C3024 3.272 7.612 12.988 0.00 0.00 -ATOM 9072 H2 H2O C3024 1.797 8.030 12.427 0.00 0.00 -ATOM 9073 O1 H2O C3025 22.706 52.946 18.693 0.00 0.00 -ATOM 9074 H1 H2O C3025 22.022 53.630 18.946 0.00 0.00 -ATOM 9075 H2 H2O C3025 23.557 53.128 19.186 0.00 0.00 -ATOM 9076 O1 H2O C3026 25.848 25.029 45.069 0.00 0.00 -ATOM 9077 H1 H2O C3026 26.054 24.629 45.962 0.00 0.00 -ATOM 9078 H2 H2O C3026 24.858 25.035 44.927 0.00 0.00 -ATOM 9079 O1 H2O C3027 7.187 33.896 28.072 0.00 0.00 -ATOM 9080 H1 H2O C3027 8.135 34.046 27.789 0.00 0.00 -ATOM 9081 H2 H2O C3027 6.793 34.758 28.389 0.00 0.00 -ATOM 9082 O1 H2O C3028 26.179 18.560 4.283 0.00 0.00 -ATOM 9083 H1 H2O C3028 26.628 18.226 3.454 0.00 0.00 -ATOM 9084 H2 H2O C3028 26.771 19.226 4.737 0.00 0.00 -ATOM 9085 O1 H2O C3029 25.155 4.703 20.418 0.00 0.00 -ATOM 9086 H1 H2O C3029 25.945 5.206 20.069 0.00 0.00 -ATOM 9087 H2 H2O C3029 25.234 3.739 20.163 0.00 0.00 -ATOM 9088 O1 H2O C3030 31.690 16.075 10.072 0.00 0.00 -ATOM 9089 H1 H2O C3030 31.198 15.534 10.753 0.00 0.00 -ATOM 9090 H2 H2O C3030 31.871 16.988 10.438 0.00 0.00 -ATOM 9091 O1 H2O C3031 5.769 19.115 59.376 0.00 0.00 -ATOM 9092 H1 H2O C3031 6.009 19.830 58.719 0.00 0.00 -ATOM 9093 H2 H2O C3031 6.012 18.221 59.000 0.00 0.00 -ATOM 9094 O1 H2O C3032 1.116 13.352 56.432 0.00 0.00 -ATOM 9095 H1 H2O C3032 1.171 12.647 55.725 0.00 0.00 -ATOM 9096 H2 H2O C3032 0.408 13.105 57.094 0.00 0.00 -ATOM 9097 O1 H2O C3033 8.250 59.321 57.084 0.00 0.00 -ATOM 9098 H1 H2O C3033 7.594 58.732 56.613 0.00 0.00 -ATOM 9099 H2 H2O C3033 7.823 60.202 57.284 0.00 0.00 -ATOM 9100 O1 H2O C3034 53.377 42.673 41.592 0.00 0.00 -ATOM 9101 H1 H2O C3034 52.433 42.681 41.923 0.00 0.00 -ATOM 9102 H2 H2O C3034 53.907 42.001 42.110 0.00 0.00 -ATOM 9103 O1 H2O C3035 41.342 34.463 23.854 0.00 0.00 -ATOM 9104 H1 H2O C3035 40.593 35.117 23.751 0.00 0.00 -ATOM 9105 H2 H2O C3035 41.823 34.366 22.982 0.00 0.00 -ATOM 9106 O1 H2O C3036 34.396 56.639 34.909 0.00 0.00 -ATOM 9107 H1 H2O C3036 33.603 56.496 34.317 0.00 0.00 -ATOM 9108 H2 H2O C3036 34.894 55.778 35.014 0.00 0.00 -ATOM 9109 O1 H2O C3037 11.543 31.252 18.224 0.00 0.00 -ATOM 9110 H1 H2O C3037 11.638 30.503 18.880 0.00 0.00 -ATOM 9111 H2 H2O C3037 12.307 31.230 17.579 0.00 0.00 -ATOM 9112 O1 H2O C3038 25.030 53.421 36.125 0.00 0.00 -ATOM 9113 H1 H2O C3038 24.478 54.024 35.549 0.00 0.00 -ATOM 9114 H2 H2O C3038 24.482 52.632 36.402 0.00 0.00 -ATOM 9115 O1 H2O C3039 52.331 3.636 52.966 0.00 0.00 -ATOM 9116 H1 H2O C3039 52.370 2.663 52.739 0.00 0.00 -ATOM 9117 H2 H2O C3039 53.256 4.018 52.955 0.00 0.00 -ATOM 9118 O1 H2O C3040 4.698 21.739 38.718 0.00 0.00 -ATOM 9119 H1 H2O C3040 5.664 21.537 38.880 0.00 0.00 -ATOM 9120 H2 H2O C3040 4.616 22.375 37.951 0.00 0.00 -ATOM 9121 O1 H2O C3041 22.168 56.083 2.527 0.00 0.00 -ATOM 9122 H1 H2O C3041 22.953 55.956 3.133 0.00 0.00 -ATOM 9123 H2 H2O C3041 21.336 55.776 2.991 0.00 0.00 -ATOM 9124 O1 H2O C3042 18.728 29.651 13.214 0.00 0.00 -ATOM 9125 H1 H2O C3042 18.377 29.465 14.132 0.00 0.00 -ATOM 9126 H2 H2O C3042 17.971 29.911 12.614 0.00 0.00 -ATOM 9127 O1 H2O C3043 48.134 12.808 21.355 0.00 0.00 -ATOM 9128 H1 H2O C3043 47.137 12.879 21.374 0.00 0.00 -ATOM 9129 H2 H2O C3043 48.503 13.053 22.252 0.00 0.00 -ATOM 9130 O1 H2O C3044 37.607 52.512 11.318 0.00 0.00 -ATOM 9131 H1 H2O C3044 37.864 51.548 11.245 0.00 0.00 -ATOM 9132 H2 H2O C3044 37.004 52.754 10.558 0.00 0.00 -ATOM 9133 O1 H2O C3045 26.910 8.354 7.420 0.00 0.00 -ATOM 9134 H1 H2O C3045 27.060 7.366 7.447 0.00 0.00 -ATOM 9135 H2 H2O C3045 27.690 8.798 6.980 0.00 0.00 -ATOM 9136 O1 H2O C3046 2.086 38.733 30.540 0.00 0.00 -ATOM 9137 H1 H2O C3046 3.032 39.025 30.400 0.00 0.00 -ATOM 9138 H2 H2O C3046 1.701 39.217 31.326 0.00 0.00 -ATOM 9139 O1 H2O C3047 55.500 9.959 21.821 0.00 0.00 -ATOM 9140 H1 H2O C3047 56.002 10.146 22.665 0.00 0.00 -ATOM 9141 H2 H2O C3047 54.769 9.303 22.006 0.00 0.00 -ATOM 9142 O1 H2O C3048 18.413 43.624 20.283 0.00 0.00 -ATOM 9143 H1 H2O C3048 18.050 44.532 20.074 0.00 0.00 -ATOM 9144 H2 H2O C3048 17.682 42.946 20.205 0.00 0.00 -ATOM 9145 O1 H2O C3049 18.880 44.525 19.431 0.00 0.00 -ATOM 9146 H1 H2O C3049 19.254 44.329 20.338 0.00 0.00 -ATOM 9147 H2 H2O C3049 18.181 43.846 19.205 0.00 0.00 -ATOM 9148 O1 H2O C3050 22.966 34.210 58.765 0.00 0.00 -ATOM 9149 H1 H2O C3050 23.156 33.277 59.072 0.00 0.00 -ATOM 9150 H2 H2O C3050 22.770 34.787 59.558 0.00 0.00 -ATOM 9151 O1 H2O C3051 23.983 58.950 50.039 0.00 0.00 -ATOM 9152 H1 H2O C3051 24.934 59.231 49.907 0.00 0.00 -ATOM 9153 H2 H2O C3051 23.940 58.243 50.745 0.00 0.00 -ATOM 9154 O1 H2O C3052 48.959 0.485 41.391 0.00 0.00 -ATOM 9155 H1 H2O C3052 48.413 -0.341 41.532 0.00 0.00 -ATOM 9156 H2 H2O C3052 48.668 1.190 42.037 0.00 0.00 -ATOM 9157 O1 H2O C3053 36.565 29.244 51.501 0.00 0.00 -ATOM 9158 H1 H2O C3053 36.031 29.674 52.228 0.00 0.00 -ATOM 9159 H2 H2O C3053 36.003 29.162 50.678 0.00 0.00 -ATOM 9160 O1 H2O C3054 12.214 33.955 2.780 0.00 0.00 -ATOM 9161 H1 H2O C3054 11.401 33.393 2.930 0.00 0.00 -ATOM 9162 H2 H2O C3054 12.748 33.574 2.026 0.00 0.00 -ATOM 9163 O1 H2O C3055 6.254 1.187 32.207 0.00 0.00 -ATOM 9164 H1 H2O C3055 5.443 0.995 31.655 0.00 0.00 -ATOM 9165 H2 H2O C3055 6.698 2.018 31.870 0.00 0.00 -ATOM 9166 O1 H2O C3056 14.229 20.989 49.728 0.00 0.00 -ATOM 9167 H1 H2O C3056 13.639 20.463 49.115 0.00 0.00 -ATOM 9168 H2 H2O C3056 15.115 21.139 49.291 0.00 0.00 -ATOM 9169 O1 H2O C3057 29.040 45.775 46.063 0.00 0.00 -ATOM 9170 H1 H2O C3057 29.636 46.294 45.451 0.00 0.00 -ATOM 9171 H2 H2O C3057 29.225 44.798 45.959 0.00 0.00 -ATOM 9172 O1 H2O C3058 42.221 22.127 9.567 0.00 0.00 -ATOM 9173 H1 H2O C3058 42.279 21.506 10.349 0.00 0.00 -ATOM 9174 H2 H2O C3058 43.123 22.218 9.146 0.00 0.00 -ATOM 9175 O1 H2O C3059 29.081 28.276 26.111 0.00 0.00 -ATOM 9176 H1 H2O C3059 28.094 28.436 26.079 0.00 0.00 -ATOM 9177 H2 H2O C3059 29.285 27.592 26.812 0.00 0.00 -ATOM 9178 O1 H2O C3060 41.926 2.508 54.726 0.00 0.00 -ATOM 9179 H1 H2O C3060 42.579 3.114 55.180 0.00 0.00 -ATOM 9180 H2 H2O C3060 42.166 2.424 53.759 0.00 0.00 -ATOM 9181 O1 H2O C3061 59.157 28.549 36.131 0.00 0.00 -ATOM 9182 H1 H2O C3061 59.396 27.581 36.058 0.00 0.00 -ATOM 9183 H2 H2O C3061 59.982 29.082 36.318 0.00 0.00 -ATOM 9184 O1 H2O C3062 35.491 5.598 19.818 0.00 0.00 -ATOM 9185 H1 H2O C3062 36.011 4.746 19.868 0.00 0.00 -ATOM 9186 H2 H2O C3062 35.666 6.145 20.637 0.00 0.00 -ATOM 9187 O1 H2O C3063 55.835 49.640 27.164 0.00 0.00 -ATOM 9188 H1 H2O C3063 55.007 49.710 27.720 0.00 0.00 -ATOM 9189 H2 H2O C3063 56.361 50.487 27.242 0.00 0.00 -ATOM 9190 O1 H2O C3064 2.684 46.550 4.307 0.00 0.00 -ATOM 9191 H1 H2O C3064 3.390 47.257 4.266 0.00 0.00 -ATOM 9192 H2 H2O C3064 2.528 46.181 3.390 0.00 0.00 -ATOM 9193 O1 H2O C3065 36.280 4.250 28.239 0.00 0.00 -ATOM 9194 H1 H2O C3065 37.145 4.657 27.946 0.00 0.00 -ATOM 9195 H2 H2O C3065 35.525 4.674 27.738 0.00 0.00 -ATOM 9196 O1 H2O C3066 21.922 30.892 55.944 0.00 0.00 -ATOM 9197 H1 H2O C3066 21.187 30.753 56.607 0.00 0.00 -ATOM 9198 H2 H2O C3066 22.738 31.225 56.416 0.00 0.00 -ATOM 9199 O1 H2O C3067 39.864 4.655 58.228 0.00 0.00 -ATOM 9200 H1 H2O C3067 39.257 4.227 57.558 0.00 0.00 -ATOM 9201 H2 H2O C3067 40.813 4.424 58.012 0.00 0.00 -ATOM 9202 O1 H2O C3068 10.357 35.548 55.364 0.00 0.00 -ATOM 9203 H1 H2O C3068 10.972 34.795 55.598 0.00 0.00 -ATOM 9204 H2 H2O C3068 10.747 36.410 55.687 0.00 0.00 -ATOM 9205 O1 H2O C3069 35.979 41.430 32.530 0.00 0.00 -ATOM 9206 H1 H2O C3069 36.860 41.609 32.092 0.00 0.00 -ATOM 9207 H2 H2O C3069 35.564 40.616 32.125 0.00 0.00 -ATOM 9208 O1 H2O C3070 47.382 52.258 41.016 0.00 0.00 -ATOM 9209 H1 H2O C3070 47.041 51.754 40.223 0.00 0.00 -ATOM 9210 H2 H2O C3070 46.736 52.164 41.774 0.00 0.00 -ATOM 9211 O1 H2O C3071 52.872 1.165 28.527 0.00 0.00 -ATOM 9212 H1 H2O C3071 52.452 0.963 29.411 0.00 0.00 -ATOM 9213 H2 H2O C3071 52.194 1.584 27.923 0.00 0.00 -ATOM 9214 O1 H2O C3072 38.571 16.657 10.859 0.00 0.00 -ATOM 9215 H1 H2O C3072 39.280 16.019 11.161 0.00 0.00 -ATOM 9216 H2 H2O C3072 38.191 17.132 11.653 0.00 0.00 -ATOM 9217 O1 H2O C3073 18.668 50.493 20.971 0.00 0.00 -ATOM 9218 H1 H2O C3073 18.932 51.340 21.433 0.00 0.00 -ATOM 9219 H2 H2O C3073 18.690 49.736 21.624 0.00 0.00 -ATOM 9220 O1 H2O C3074 27.259 3.386 33.856 0.00 0.00 -ATOM 9221 H1 H2O C3074 26.991 4.248 33.425 0.00 0.00 -ATOM 9222 H2 H2O C3074 27.760 3.577 34.700 0.00 0.00 -ATOM 9223 O1 H2O C3075 30.968 55.780 16.553 0.00 0.00 -ATOM 9224 H1 H2O C3075 31.496 56.610 16.372 0.00 0.00 -ATOM 9225 H2 H2O C3075 31.142 55.471 17.488 0.00 0.00 -ATOM 9226 O1 H2O C3076 19.422 15.769 55.604 0.00 0.00 -ATOM 9227 H1 H2O C3076 18.436 15.789 55.770 0.00 0.00 -ATOM 9228 H2 H2O C3076 19.680 16.551 55.037 0.00 0.00 -ATOM 9229 O1 H2O C3077 48.698 25.078 46.240 0.00 0.00 -ATOM 9230 H1 H2O C3077 48.187 25.917 46.051 0.00 0.00 -ATOM 9231 H2 H2O C3077 48.477 24.754 47.160 0.00 0.00 -ATOM 9232 O1 H2O C3078 46.241 31.678 28.040 0.00 0.00 -ATOM 9233 H1 H2O C3078 45.450 32.188 28.377 0.00 0.00 -ATOM 9234 H2 H2O C3078 46.750 32.243 27.391 0.00 0.00 -ATOM 9235 O1 H2O C3079 48.578 58.638 13.875 0.00 0.00 -ATOM 9236 H1 H2O C3079 48.904 58.605 12.931 0.00 0.00 -ATOM 9237 H2 H2O C3079 49.347 58.497 14.499 0.00 0.00 -ATOM 9238 O1 H2O C3080 7.915 39.865 47.824 0.00 0.00 -ATOM 9239 H1 H2O C3080 7.490 38.979 47.638 0.00 0.00 -ATOM 9240 H2 H2O C3080 7.595 40.536 47.156 0.00 0.00 -ATOM 9241 O1 H2O C3081 4.212 11.969 28.502 0.00 0.00 -ATOM 9242 H1 H2O C3081 4.275 12.818 29.025 0.00 0.00 -ATOM 9243 H2 H2O C3081 4.170 12.181 27.526 0.00 0.00 -ATOM 9244 O1 H2O C3082 14.059 10.542 49.709 0.00 0.00 -ATOM 9245 H1 H2O C3082 14.545 10.959 50.477 0.00 0.00 -ATOM 9246 H2 H2O C3082 14.581 10.683 48.868 0.00 0.00 -ATOM 9247 O1 H2O C3083 52.142 57.149 43.363 0.00 0.00 -ATOM 9248 H1 H2O C3083 52.567 58.054 43.394 0.00 0.00 -ATOM 9249 H2 H2O C3083 51.490 57.061 44.116 0.00 0.00 -ATOM 9250 O1 H2O C3084 35.921 34.738 31.009 0.00 0.00 -ATOM 9251 H1 H2O C3084 35.137 35.054 30.474 0.00 0.00 -ATOM 9252 H2 H2O C3084 35.903 35.166 31.912 0.00 0.00 -ATOM 9253 O1 H2O C3085 59.695 27.977 29.934 0.00 0.00 -ATOM 9254 H1 H2O C3085 59.949 28.825 30.397 0.00 0.00 -ATOM 9255 H2 H2O C3085 58.798 28.087 29.504 0.00 0.00 -ATOM 9256 O1 H2O C3086 24.021 5.442 9.782 0.00 0.00 -ATOM 9257 H1 H2O C3086 23.944 6.272 10.335 0.00 0.00 -ATOM 9258 H2 H2O C3086 24.982 5.170 9.723 0.00 0.00 -ATOM 9259 O1 H2O C3087 44.096 59.308 58.588 0.00 0.00 -ATOM 9260 H1 H2O C3087 44.694 59.731 59.268 0.00 0.00 -ATOM 9261 H2 H2O C3087 44.478 58.426 58.311 0.00 0.00 -ATOM 9262 O1 H2O C3088 34.676 34.405 50.906 0.00 0.00 -ATOM 9263 H1 H2O C3088 34.827 33.802 51.690 0.00 0.00 -ATOM 9264 H2 H2O C3088 34.432 33.855 50.106 0.00 0.00 -ATOM 9265 O1 H2O C3089 48.627 14.255 42.297 0.00 0.00 -ATOM 9266 H1 H2O C3089 47.778 13.885 42.673 0.00 0.00 -ATOM 9267 H2 H2O C3089 48.550 14.320 41.302 0.00 0.00 -ATOM 9268 O1 H2O C3090 12.568 56.483 45.969 0.00 0.00 -ATOM 9269 H1 H2O C3090 13.246 56.909 46.568 0.00 0.00 -ATOM 9270 H2 H2O C3090 11.977 57.189 45.579 0.00 0.00 -ATOM 9271 O1 H2O C3091 32.270 48.341 7.368 0.00 0.00 -ATOM 9272 H1 H2O C3091 32.648 49.260 7.254 0.00 0.00 -ATOM 9273 H2 H2O C3091 32.198 47.898 6.475 0.00 0.00 -ATOM 9274 O1 H2O C3092 25.185 24.239 31.008 0.00 0.00 -ATOM 9275 H1 H2O C3092 24.851 23.332 31.262 0.00 0.00 -ATOM 9276 H2 H2O C3092 26.185 24.242 31.020 0.00 0.00 -ATOM 9277 O1 H2O C3093 17.754 45.453 19.520 0.00 0.00 -ATOM 9278 H1 H2O C3093 18.186 45.641 20.402 0.00 0.00 -ATOM 9279 H2 H2O C3093 17.363 46.298 19.154 0.00 0.00 -ATOM 9280 O1 H2O C3094 14.474 10.779 30.669 0.00 0.00 -ATOM 9281 H1 H2O C3094 14.562 10.877 29.677 0.00 0.00 -ATOM 9282 H2 H2O C3094 13.566 11.086 30.955 0.00 0.00 -ATOM 9283 O1 H2O C3095 33.146 28.898 57.752 0.00 0.00 -ATOM 9284 H1 H2O C3095 33.774 28.279 58.224 0.00 0.00 -ATOM 9285 H2 H2O C3095 33.597 29.278 56.944 0.00 0.00 -ATOM 9286 O1 H2O C3096 31.230 49.651 46.882 0.00 0.00 -ATOM 9287 H1 H2O C3096 31.292 50.560 47.295 0.00 0.00 -ATOM 9288 H2 H2O C3096 32.147 49.323 46.659 0.00 0.00 -ATOM 9289 O1 H2O C3097 51.509 27.782 18.707 0.00 0.00 -ATOM 9290 H1 H2O C3097 51.191 28.345 19.470 0.00 0.00 -ATOM 9291 H2 H2O C3097 51.307 26.821 18.894 0.00 0.00 -ATOM 9292 O1 H2O C3098 28.176 36.053 44.733 0.00 0.00 -ATOM 9293 H1 H2O C3098 27.184 36.020 44.850 0.00 0.00 -ATOM 9294 H2 H2O C3098 28.520 36.937 45.051 0.00 0.00 -ATOM 9295 O1 H2O C3099 1.515 13.085 23.598 0.00 0.00 -ATOM 9296 H1 H2O C3099 1.281 13.544 24.456 0.00 0.00 -ATOM 9297 H2 H2O C3099 2.381 12.597 23.707 0.00 0.00 -ATOM 9298 O1 H2O C3100 45.488 12.021 48.541 0.00 0.00 -ATOM 9299 H1 H2O C3100 44.908 11.701 49.291 0.00 0.00 -ATOM 9300 H2 H2O C3100 45.225 11.557 47.695 0.00 0.00 -ATOM 9301 O1 H2O C3101 59.837 11.946 11.672 0.00 0.00 -ATOM 9302 H1 H2O C3101 59.513 11.132 11.190 0.00 0.00 -ATOM 9303 H2 H2O C3101 59.800 12.734 11.057 0.00 0.00 -ATOM 9304 O1 H2O C3102 7.500 44.721 30.393 0.00 0.00 -ATOM 9305 H1 H2O C3102 7.537 44.389 29.450 0.00 0.00 -ATOM 9306 H2 H2O C3102 6.660 44.398 30.828 0.00 0.00 -ATOM 9307 O1 H2O C3103 48.086 51.829 38.145 0.00 0.00 -ATOM 9308 H1 H2O C3103 48.467 52.512 37.522 0.00 0.00 -ATOM 9309 H2 H2O C3103 47.108 51.721 37.964 0.00 0.00 -ATOM 9310 O1 H2O C3104 11.736 7.890 31.172 0.00 0.00 -ATOM 9311 H1 H2O C3104 12.179 7.606 32.022 0.00 0.00 -ATOM 9312 H2 H2O C3104 11.906 7.207 30.462 0.00 0.00 -ATOM 9313 O1 H2O C3105 26.988 36.656 54.353 0.00 0.00 -ATOM 9314 H1 H2O C3105 27.288 36.324 55.247 0.00 0.00 -ATOM 9315 H2 H2O C3105 26.549 35.910 53.851 0.00 0.00 -ATOM 9316 O1 H2O C3106 5.613 35.692 17.969 0.00 0.00 -ATOM 9317 H1 H2O C3106 6.381 36.304 18.157 0.00 0.00 -ATOM 9318 H2 H2O C3106 4.754 36.160 18.179 0.00 0.00 -ATOM 9319 O1 H2O C3107 45.944 27.855 25.569 0.00 0.00 -ATOM 9320 H1 H2O C3107 46.670 28.010 26.239 0.00 0.00 -ATOM 9321 H2 H2O C3107 46.320 27.937 24.646 0.00 0.00 -ATOM 9322 O1 H2O C3108 37.997 50.598 43.542 0.00 0.00 -ATOM 9323 H1 H2O C3108 38.915 50.623 43.147 0.00 0.00 -ATOM 9324 H2 H2O C3108 37.670 51.533 43.684 0.00 0.00 -ATOM 9325 O1 H2O C3109 35.601 25.626 26.398 0.00 0.00 -ATOM 9326 H1 H2O C3109 35.230 24.737 26.130 0.00 0.00 -ATOM 9327 H2 H2O C3109 36.134 25.526 27.238 0.00 0.00 -ATOM 9328 O1 H2O C3110 50.153 3.089 4.063 0.00 0.00 -ATOM 9329 H1 H2O C3110 50.954 2.493 4.118 0.00 0.00 -ATOM 9330 H2 H2O C3110 49.990 3.340 3.109 0.00 0.00 -ATOM 9331 O1 H2O C3111 15.821 1.390 22.285 0.00 0.00 -ATOM 9332 H1 H2O C3111 15.199 1.023 22.977 0.00 0.00 -ATOM 9333 H2 H2O C3111 15.290 1.758 21.522 0.00 0.00 -ATOM 9334 O1 H2O C3112 29.909 6.964 1.667 0.00 0.00 -ATOM 9335 H1 H2O C3112 30.537 6.524 2.308 0.00 0.00 -ATOM 9336 H2 H2O C3112 29.073 6.419 1.592 0.00 0.00 -ATOM 9337 O1 H2O C3113 0.820 57.405 11.285 0.00 0.00 -ATOM 9338 H1 H2O C3113 0.563 56.846 10.497 0.00 0.00 -ATOM 9339 H2 H2O C3113 1.673 57.060 11.676 0.00 0.00 -ATOM 9340 O1 H2O C3114 22.567 19.036 3.919 0.00 0.00 -ATOM 9341 H1 H2O C3114 21.775 18.457 3.723 0.00 0.00 -ATOM 9342 H2 H2O C3114 22.749 19.030 4.902 0.00 0.00 -ATOM 9343 O1 H2O C3115 4.345 29.758 29.924 0.00 0.00 -ATOM 9344 H1 H2O C3115 4.520 30.534 30.530 0.00 0.00 -ATOM 9345 H2 H2O C3115 3.537 29.262 30.242 0.00 0.00 -ATOM 9346 O1 H2O C3116 8.960 11.074 30.355 0.00 0.00 -ATOM 9347 H1 H2O C3116 8.247 11.721 30.087 0.00 0.00 -ATOM 9348 H2 H2O C3116 8.548 10.312 30.855 0.00 0.00 -ATOM 9349 O1 H2O C3117 24.379 48.436 49.034 0.00 0.00 -ATOM 9350 H1 H2O C3117 24.270 47.501 49.370 0.00 0.00 -ATOM 9351 H2 H2O C3117 25.057 48.449 48.299 0.00 0.00 -ATOM 9352 O1 H2O C3118 30.879 44.110 27.412 0.00 0.00 -ATOM 9353 H1 H2O C3118 31.376 43.738 26.629 0.00 0.00 -ATOM 9354 H2 H2O C3118 31.513 44.253 28.172 0.00 0.00 -ATOM 9355 O1 H2O C3119 36.537 52.415 16.342 0.00 0.00 -ATOM 9356 H1 H2O C3119 36.054 52.991 15.682 0.00 0.00 -ATOM 9357 H2 H2O C3119 37.524 52.507 16.204 0.00 0.00 -ATOM 9358 O1 H2O C3120 35.022 27.667 57.429 0.00 0.00 -ATOM 9359 H1 H2O C3120 34.426 27.048 56.918 0.00 0.00 -ATOM 9360 H2 H2O C3120 35.817 27.162 57.766 0.00 0.00 -ATOM 9361 O1 H2O C3121 57.164 32.774 39.312 0.00 0.00 -ATOM 9362 H1 H2O C3121 57.076 33.740 39.068 0.00 0.00 -ATOM 9363 H2 H2O C3121 57.144 32.679 40.307 0.00 0.00 -ATOM 9364 O1 H2O C3122 8.027 30.998 11.868 0.00 0.00 -ATOM 9365 H1 H2O C3122 7.926 30.016 12.027 0.00 0.00 -ATOM 9366 H2 H2O C3122 8.139 31.468 12.743 0.00 0.00 -ATOM 9367 O1 H2O C3123 10.807 28.466 29.872 0.00 0.00 -ATOM 9368 H1 H2O C3123 10.406 29.354 29.646 0.00 0.00 -ATOM 9369 H2 H2O C3123 11.331 28.129 29.089 0.00 0.00 -ATOM 9370 O1 H2O C3124 48.103 0.730 36.784 0.00 0.00 -ATOM 9371 H1 H2O C3124 47.147 0.990 36.919 0.00 0.00 -ATOM 9372 H2 H2O C3124 48.452 0.297 37.615 0.00 0.00 -ATOM 9373 O1 H2O C3125 22.819 40.653 49.759 0.00 0.00 -ATOM 9374 H1 H2O C3125 23.454 39.929 49.489 0.00 0.00 -ATOM 9375 H2 H2O C3125 22.711 41.299 49.004 0.00 0.00 -ATOM 9376 O1 H2O C3126 15.945 57.777 48.055 0.00 0.00 -ATOM 9377 H1 H2O C3126 15.607 57.062 48.668 0.00 0.00 -ATOM 9378 H2 H2O C3126 16.827 57.501 47.675 0.00 0.00 -ATOM 9379 O1 H2O C3127 57.290 11.912 9.846 0.00 0.00 -ATOM 9380 H1 H2O C3127 57.285 12.043 10.837 0.00 0.00 -ATOM 9381 H2 H2O C3127 56.729 11.118 9.612 0.00 0.00 -ATOM 9382 O1 H2O C3128 13.868 59.429 51.971 0.00 0.00 -ATOM 9383 H1 H2O C3128 14.160 58.484 52.122 0.00 0.00 -ATOM 9384 H2 H2O C3128 12.871 59.480 52.013 0.00 0.00 -ATOM 9385 O1 H2O C3129 15.745 31.999 3.653 0.00 0.00 -ATOM 9386 H1 H2O C3129 16.341 32.779 3.842 0.00 0.00 -ATOM 9387 H2 H2O C3129 14.922 32.315 3.180 0.00 0.00 -ATOM 9388 O1 H2O C3130 17.460 5.039 54.547 0.00 0.00 -ATOM 9389 H1 H2O C3130 17.277 5.509 55.411 0.00 0.00 -ATOM 9390 H2 H2O C3130 17.981 4.205 54.725 0.00 0.00 -ATOM 9391 O1 H2O C3131 56.933 4.308 45.005 0.00 0.00 -ATOM 9392 H1 H2O C3131 56.467 4.231 44.123 0.00 0.00 -ATOM 9393 H2 H2O C3131 57.105 5.272 45.208 0.00 0.00 -ATOM 9394 O1 H2O C3132 46.253 0.292 6.701 0.00 0.00 -ATOM 9395 H1 H2O C3132 45.991 1.257 6.674 0.00 0.00 -ATOM 9396 H2 H2O C3132 46.527 -0.005 5.786 0.00 0.00 -ATOM 9397 O1 H2O C3133 56.958 12.131 39.494 0.00 0.00 -ATOM 9398 H1 H2O C3133 57.598 11.970 38.742 0.00 0.00 -ATOM 9399 H2 H2O C3133 56.098 12.488 39.130 0.00 0.00 -ATOM 9400 O1 H2O C3134 35.936 5.609 34.850 0.00 0.00 -ATOM 9401 H1 H2O C3134 35.997 6.606 34.899 0.00 0.00 -ATOM 9402 H2 H2O C3134 36.237 5.302 33.946 0.00 0.00 -ATOM 9403 O1 H2O C3135 25.280 7.038 20.575 0.00 0.00 -ATOM 9404 H1 H2O C3135 24.439 7.428 20.950 0.00 0.00 -ATOM 9405 H2 H2O C3135 25.713 6.455 21.262 0.00 0.00 -ATOM 9406 O1 H2O C3136 29.844 3.239 14.648 0.00 0.00 -ATOM 9407 H1 H2O C3136 29.596 3.440 13.701 0.00 0.00 -ATOM 9408 H2 H2O C3136 29.159 2.632 15.051 0.00 0.00 -ATOM 9409 O1 H2O C3137 19.836 44.932 21.201 0.00 0.00 -ATOM 9410 H1 H2O C3137 20.630 45.276 21.702 0.00 0.00 -ATOM 9411 H2 H2O C3137 19.004 45.347 21.568 0.00 0.00 -ATOM 9412 O1 H2O C3138 31.782 2.663 49.394 0.00 0.00 -ATOM 9413 H1 H2O C3138 30.918 2.681 49.896 0.00 0.00 -ATOM 9414 H2 H2O C3138 31.757 3.343 48.662 0.00 0.00 -ATOM 9415 O1 H2O C3139 50.334 8.798 4.027 0.00 0.00 -ATOM 9416 H1 H2O C3139 50.519 9.217 3.138 0.00 0.00 -ATOM 9417 H2 H2O C3139 50.296 9.510 4.729 0.00 0.00 -ATOM 9418 O1 H2O C3140 14.930 4.856 36.597 0.00 0.00 -ATOM 9419 H1 H2O C3140 14.529 5.733 36.332 0.00 0.00 -ATOM 9420 H2 H2O C3140 14.889 4.223 35.824 0.00 0.00 -ATOM 9421 O1 H2O C3141 12.368 57.005 33.011 0.00 0.00 -ATOM 9422 H1 H2O C3141 12.583 56.760 32.065 0.00 0.00 -ATOM 9423 H2 H2O C3141 12.612 56.247 33.615 0.00 0.00 -ATOM 9424 O1 H2O C3142 26.643 0.777 23.579 0.00 0.00 -ATOM 9425 H1 H2O C3142 26.550 0.422 24.509 0.00 0.00 -ATOM 9426 H2 H2O C3142 26.255 1.698 23.533 0.00 0.00 -ATOM 9427 O1 H2O C3143 43.285 53.874 28.821 0.00 0.00 -ATOM 9428 H1 H2O C3143 42.594 54.410 28.335 0.00 0.00 -ATOM 9429 H2 H2O C3143 44.053 54.466 29.066 0.00 0.00 -ATOM 9430 O1 H2O C3144 28.446 36.767 10.207 0.00 0.00 -ATOM 9431 H1 H2O C3144 28.170 37.142 11.092 0.00 0.00 -ATOM 9432 H2 H2O C3144 27.718 36.919 9.539 0.00 0.00 -ATOM 9433 O1 H2O C3145 18.403 30.761 9.495 0.00 0.00 -ATOM 9434 H1 H2O C3145 18.372 29.902 8.984 0.00 0.00 -ATOM 9435 H2 H2O C3145 17.929 31.474 8.977 0.00 0.00 -ATOM 9436 O1 H2O C3146 3.151 47.519 9.843 0.00 0.00 -ATOM 9437 H1 H2O C3146 2.283 47.832 9.456 0.00 0.00 -ATOM 9438 H2 H2O C3146 3.673 48.307 10.170 0.00 0.00 -ATOM 9439 O1 H2O C3147 38.881 24.261 30.613 0.00 0.00 -ATOM 9440 H1 H2O C3147 38.107 23.629 30.578 0.00 0.00 -ATOM 9441 H2 H2O C3147 39.432 24.070 31.425 0.00 0.00 -ATOM 9442 O1 H2O C3148 7.910 55.239 3.015 0.00 0.00 -ATOM 9443 H1 H2O C3148 8.107 55.012 3.969 0.00 0.00 -ATOM 9444 H2 H2O C3148 6.921 55.321 2.889 0.00 0.00 -ATOM 9445 O1 H2O C3149 21.695 40.999 44.677 0.00 0.00 -ATOM 9446 H1 H2O C3149 22.313 40.909 45.458 0.00 0.00 -ATOM 9447 H2 H2O C3149 21.873 40.263 44.024 0.00 0.00 -ATOM 9448 O1 H2O C3150 15.813 20.417 25.326 0.00 0.00 -ATOM 9449 H1 H2O C3150 15.854 20.803 26.247 0.00 0.00 -ATOM 9450 H2 H2O C3150 16.393 20.955 24.713 0.00 0.00 -ATOM 9451 O1 H2O C3151 46.190 1.661 45.303 0.00 0.00 -ATOM 9452 H1 H2O C3151 45.572 2.329 44.889 0.00 0.00 -ATOM 9453 H2 H2O C3151 47.136 1.962 45.181 0.00 0.00 -ATOM 9454 O1 H2O C3152 45.110 29.024 33.082 0.00 0.00 -ATOM 9455 H1 H2O C3152 45.413 29.335 33.983 0.00 0.00 -ATOM 9456 H2 H2O C3152 44.959 29.816 32.489 0.00 0.00 -ATOM 9457 O1 H2O C3153 31.896 4.760 38.793 0.00 0.00 -ATOM 9458 H1 H2O C3153 31.559 5.700 38.731 0.00 0.00 -ATOM 9459 H2 H2O C3153 31.158 4.126 38.562 0.00 0.00 -ATOM 9460 O1 H2O C3154 3.686 31.841 24.357 0.00 0.00 -ATOM 9461 H1 H2O C3154 3.487 31.514 25.280 0.00 0.00 -ATOM 9462 H2 H2O C3154 3.036 31.437 23.713 0.00 0.00 -ATOM 9463 O1 H2O C3155 56.963 39.829 43.465 0.00 0.00 -ATOM 9464 H1 H2O C3155 56.656 40.344 44.265 0.00 0.00 -ATOM 9465 H2 H2O C3155 56.907 38.849 43.658 0.00 0.00 -ATOM 9466 O1 H2O C3156 0.852 12.987 44.907 0.00 0.00 -ATOM 9467 H1 H2O C3156 0.550 13.920 44.707 0.00 0.00 -ATOM 9468 H2 H2O C3156 1.655 12.771 44.352 0.00 0.00 -ATOM 9469 O1 H2O C3157 4.940 1.044 9.967 0.00 0.00 -ATOM 9470 H1 H2O C3157 5.733 1.316 10.512 0.00 0.00 -ATOM 9471 H2 H2O C3157 4.171 0.844 10.573 0.00 0.00 -ATOM 9472 O1 H2O C3158 49.686 4.916 39.894 0.00 0.00 -ATOM 9473 H1 H2O C3158 49.030 5.111 39.164 0.00 0.00 -ATOM 9474 H2 H2O C3158 49.192 4.699 40.736 0.00 0.00 -ATOM 9475 O1 H2O C3159 29.768 9.678 21.832 0.00 0.00 -ATOM 9476 H1 H2O C3159 29.042 9.695 21.145 0.00 0.00 -ATOM 9477 H2 H2O C3159 30.634 9.436 21.396 0.00 0.00 -ATOM 9478 O1 H2O C3160 38.363 18.746 55.453 0.00 0.00 -ATOM 9479 H1 H2O C3160 39.070 18.076 55.228 0.00 0.00 -ATOM 9480 H2 H2O C3160 37.461 18.342 55.306 0.00 0.00 -ATOM 9481 O1 H2O C3161 41.255 7.518 38.645 0.00 0.00 -ATOM 9482 H1 H2O C3161 41.610 6.648 38.989 0.00 0.00 -ATOM 9483 H2 H2O C3161 40.318 7.647 38.970 0.00 0.00 -ATOM 9484 O1 H2O C3162 40.531 56.345 44.017 0.00 0.00 -ATOM 9485 H1 H2O C3162 39.602 55.976 43.997 0.00 0.00 -ATOM 9486 H2 H2O C3162 40.664 56.955 43.235 0.00 0.00 -ATOM 9487 O1 H2O C3163 20.342 43.347 25.225 0.00 0.00 -ATOM 9488 H1 H2O C3163 20.583 43.582 24.283 0.00 0.00 -ATOM 9489 H2 H2O C3163 19.784 44.077 25.618 0.00 0.00 -ATOM 9490 O1 H2O C3164 7.706 26.093 26.333 0.00 0.00 -ATOM 9491 H1 H2O C3164 8.377 25.354 26.388 0.00 0.00 -ATOM 9492 H2 H2O C3164 6.792 25.726 26.509 0.00 0.00 -ATOM 9493 O1 H2O C3165 26.169 29.212 49.908 0.00 0.00 -ATOM 9494 H1 H2O C3165 25.230 29.554 49.894 0.00 0.00 -ATOM 9495 H2 H2O C3165 26.600 29.383 49.022 0.00 0.00 -ATOM 9496 O1 H2O C3166 43.242 22.165 15.486 0.00 0.00 -ATOM 9497 H1 H2O C3166 44.193 22.429 15.324 0.00 0.00 -ATOM 9498 H2 H2O C3166 42.990 22.389 16.427 0.00 0.00 -ATOM 9499 O1 H2O C3167 58.372 42.369 47.104 0.00 0.00 -ATOM 9500 H1 H2O C3167 58.043 42.588 48.022 0.00 0.00 -ATOM 9501 H2 H2O C3167 57.694 41.807 46.632 0.00 0.00 -ATOM 9502 O1 H2O C3168 49.587 30.533 24.469 0.00 0.00 -ATOM 9503 H1 H2O C3168 50.129 31.214 23.976 0.00 0.00 -ATOM 9504 H2 H2O C3168 50.199 29.905 24.951 0.00 0.00 -ATOM 9505 O1 H2O C3169 51.562 1.350 55.235 0.00 0.00 -ATOM 9506 H1 H2O C3169 51.575 0.957 54.316 0.00 0.00 -ATOM 9507 H2 H2O C3169 50.799 0.963 55.753 0.00 0.00 -ATOM 9508 O1 H2O C3170 32.308 27.068 17.978 0.00 0.00 -ATOM 9509 H1 H2O C3170 33.247 26.832 17.728 0.00 0.00 -ATOM 9510 H2 H2O C3170 31.812 26.238 18.232 0.00 0.00 -ATOM 9511 O1 H2O C3171 26.722 46.741 21.535 0.00 0.00 -ATOM 9512 H1 H2O C3171 26.134 47.542 21.416 0.00 0.00 -ATOM 9513 H2 H2O C3171 27.395 46.926 22.251 0.00 0.00 -ATOM 9514 O1 H2O C3172 46.054 48.443 56.394 0.00 0.00 -ATOM 9515 H1 H2O C3172 46.433 49.326 56.672 0.00 0.00 -ATOM 9516 H2 H2O C3172 46.553 47.707 56.852 0.00 0.00 -ATOM 9517 O1 H2O C3173 5.668 49.683 18.880 0.00 0.00 -ATOM 9518 H1 H2O C3173 6.211 49.358 19.654 0.00 0.00 -ATOM 9519 H2 H2O C3173 4.781 49.220 18.876 0.00 0.00 -ATOM 9520 O1 H2O C3174 12.112 6.873 15.529 0.00 0.00 -ATOM 9521 H1 H2O C3174 11.462 6.373 16.101 0.00 0.00 -ATOM 9522 H2 H2O C3174 12.943 6.330 15.415 0.00 0.00 -ATOM 9523 O1 H2O C3175 17.490 36.709 37.980 0.00 0.00 -ATOM 9524 H1 H2O C3175 16.971 37.383 38.507 0.00 0.00 -ATOM 9525 H2 H2O C3175 17.605 35.878 38.524 0.00 0.00 -ATOM 9526 O1 H2O C3176 55.874 38.973 20.909 0.00 0.00 -ATOM 9527 H1 H2O C3176 56.249 39.515 20.157 0.00 0.00 -ATOM 9528 H2 H2O C3176 56.466 38.185 21.081 0.00 0.00 -ATOM 9529 O1 H2O C3177 6.503 45.736 19.817 0.00 0.00 -ATOM 9530 H1 H2O C3177 7.186 45.843 20.540 0.00 0.00 -ATOM 9531 H2 H2O C3177 5.863 45.009 20.067 0.00 0.00 -ATOM 9532 O1 H2O C3178 33.968 12.420 38.005 0.00 0.00 -ATOM 9533 H1 H2O C3178 34.728 13.034 37.792 0.00 0.00 -ATOM 9534 H2 H2O C3178 34.104 12.024 38.913 0.00 0.00 -ATOM 9535 O1 H2O C3179 10.045 30.489 31.923 0.00 0.00 -ATOM 9536 H1 H2O C3179 9.903 31.153 31.188 0.00 0.00 -ATOM 9537 H2 H2O C3179 10.188 30.973 32.786 0.00 0.00 -ATOM 9538 O1 H2O C3180 20.660 29.706 31.918 0.00 0.00 -ATOM 9539 H1 H2O C3180 20.603 30.513 32.506 0.00 0.00 -ATOM 9540 H2 H2O C3180 19.752 29.299 31.821 0.00 0.00 -ATOM 9541 O1 H2O C3181 26.688 14.531 50.516 0.00 0.00 -ATOM 9542 H1 H2O C3181 25.719 14.718 50.677 0.00 0.00 -ATOM 9543 H2 H2O C3181 27.007 13.842 51.166 0.00 0.00 -ATOM 9544 O1 H2O C3182 27.554 26.700 5.344 0.00 0.00 -ATOM 9545 H1 H2O C3182 26.693 27.018 5.740 0.00 0.00 -ATOM 9546 H2 H2O C3182 28.310 27.241 5.714 0.00 0.00 -ATOM 9547 O1 H2O C3183 20.603 44.833 55.882 0.00 0.00 -ATOM 9548 H1 H2O C3183 21.417 44.476 56.340 0.00 0.00 -ATOM 9549 H2 H2O C3183 20.787 45.759 55.550 0.00 0.00 -ATOM 9550 O1 H2O C3184 21.247 50.093 41.179 0.00 0.00 -ATOM 9551 H1 H2O C3184 20.320 50.447 41.306 0.00 0.00 -ATOM 9552 H2 H2O C3184 21.499 50.156 40.214 0.00 0.00 -ATOM 9553 O1 H2O C3185 39.149 14.676 56.964 0.00 0.00 -ATOM 9554 H1 H2O C3185 38.198 14.505 56.707 0.00 0.00 -ATOM 9555 H2 H2O C3185 39.687 13.844 56.829 0.00 0.00 -ATOM 9556 O1 H2O C3186 25.092 45.287 18.798 0.00 0.00 -ATOM 9557 H1 H2O C3186 25.387 45.777 17.978 0.00 0.00 -ATOM 9558 H2 H2O C3186 25.302 45.835 19.608 0.00 0.00 -ATOM 9559 O1 H2O C3187 7.812 41.805 55.999 0.00 0.00 -ATOM 9560 H1 H2O C3187 7.750 42.297 56.868 0.00 0.00 -ATOM 9561 H2 H2O C3187 6.976 41.276 55.855 0.00 0.00 -ATOM 9562 O1 H2O C3188 14.291 45.306 56.037 0.00 0.00 -ATOM 9563 H1 H2O C3188 14.224 46.216 56.444 0.00 0.00 -ATOM 9564 H2 H2O C3188 14.237 44.614 56.757 0.00 0.00 -ATOM 9565 O1 H2O C3189 11.859 35.507 39.427 0.00 0.00 -ATOM 9566 H1 H2O C3189 12.541 35.107 40.039 0.00 0.00 -ATOM 9567 H2 H2O C3189 10.963 35.108 39.620 0.00 0.00 -ATOM 9568 O1 H2O C3190 2.542 10.822 20.613 0.00 0.00 -ATOM 9569 H1 H2O C3190 3.513 10.801 20.852 0.00 0.00 -ATOM 9570 H2 H2O C3190 2.444 10.833 19.618 0.00 0.00 -ATOM 9571 O1 H2O C3191 57.837 2.300 0.958 0.00 0.00 -ATOM 9572 H1 H2O C3191 56.997 2.843 0.950 0.00 0.00 -ATOM 9573 H2 H2O C3191 58.415 2.570 0.188 0.00 0.00 -ATOM 9574 O1 H2O C3192 22.083 46.274 49.813 0.00 0.00 -ATOM 9575 H1 H2O C3192 21.640 45.889 50.622 0.00 0.00 -ATOM 9576 H2 H2O C3192 21.462 46.209 49.031 0.00 0.00 -ATOM 9577 O1 H2O C3193 7.941 57.181 39.394 0.00 0.00 -ATOM 9578 H1 H2O C3193 8.534 57.536 40.117 0.00 0.00 -ATOM 9579 H2 H2O C3193 8.171 57.622 38.527 0.00 0.00 -ATOM 9580 O1 H2O C3194 26.579 1.692 35.850 0.00 0.00 -ATOM 9581 H1 H2O C3194 27.473 2.089 35.639 0.00 0.00 -ATOM 9582 H2 H2O C3194 26.078 2.306 36.460 0.00 0.00 -ATOM 9583 O1 H2O C3195 2.156 9.518 44.577 0.00 0.00 -ATOM 9584 H1 H2O C3195 2.565 8.911 45.258 0.00 0.00 -ATOM 9585 H2 H2O C3195 1.358 9.073 44.170 0.00 0.00 -ATOM 9586 O1 H2O C3196 7.070 23.603 54.203 0.00 0.00 -ATOM 9587 H1 H2O C3196 7.179 24.539 53.869 0.00 0.00 -ATOM 9588 H2 H2O C3196 7.971 23.207 54.383 0.00 0.00 -ATOM 9589 O1 H2O C3197 14.158 10.032 2.830 0.00 0.00 -ATOM 9590 H1 H2O C3197 14.141 10.413 1.906 0.00 0.00 -ATOM 9591 H2 H2O C3197 14.122 10.775 3.498 0.00 0.00 -ATOM 9592 O1 H2O C3198 59.661 6.481 20.484 0.00 0.00 -ATOM 9593 H1 H2O C3198 58.737 6.154 20.681 0.00 0.00 -ATOM 9594 H2 H2O C3198 60.319 5.753 20.674 0.00 0.00 -ATOM 9595 O1 H2O C3199 49.218 53.608 13.560 0.00 0.00 -ATOM 9596 H1 H2O C3199 48.446 53.666 14.194 0.00 0.00 -ATOM 9597 H2 H2O C3199 49.973 53.121 13.999 0.00 0.00 -ATOM 9598 O1 H2O C3200 23.176 53.955 26.029 0.00 0.00 -ATOM 9599 H1 H2O C3200 22.759 53.956 25.120 0.00 0.00 -ATOM 9600 H2 H2O C3200 22.597 54.469 26.662 0.00 0.00 -ATOM 9601 O1 H2O C3201 56.087 40.917 41.230 0.00 0.00 -ATOM 9602 H1 H2O C3201 55.155 40.586 41.085 0.00 0.00 -ATOM 9603 H2 H2O C3201 56.062 41.888 41.471 0.00 0.00 -ATOM 9604 O1 H2O C3202 32.085 28.992 13.613 0.00 0.00 -ATOM 9605 H1 H2O C3202 31.876 28.181 14.160 0.00 0.00 -ATOM 9606 H2 H2O C3202 33.018 28.924 13.260 0.00 0.00 -ATOM 9607 O1 H2O C3203 11.229 52.409 55.246 0.00 0.00 -ATOM 9608 H1 H2O C3203 11.157 53.407 55.239 0.00 0.00 -ATOM 9609 H2 H2O C3203 12.087 52.139 55.681 0.00 0.00 -ATOM 9610 O1 H2O C3204 50.077 3.757 33.726 0.00 0.00 -ATOM 9611 H1 H2O C3204 49.232 3.407 33.320 0.00 0.00 -ATOM 9612 H2 H2O C3204 50.854 3.228 33.386 0.00 0.00 -ATOM 9613 O1 H2O C3205 12.553 25.410 2.480 0.00 0.00 -ATOM 9614 H1 H2O C3205 12.306 26.219 3.013 0.00 0.00 -ATOM 9615 H2 H2O C3205 11.747 24.829 2.363 0.00 0.00 -ATOM 9616 O1 H2O C3206 57.648 34.925 25.071 0.00 0.00 -ATOM 9617 H1 H2O C3206 56.661 34.769 25.028 0.00 0.00 -ATOM 9618 H2 H2O C3206 57.828 35.907 25.119 0.00 0.00 -ATOM 9619 O1 H2O C3207 39.087 2.352 21.251 0.00 0.00 -ATOM 9620 H1 H2O C3207 38.986 3.308 21.526 0.00 0.00 -ATOM 9621 H2 H2O C3207 39.105 1.771 22.064 0.00 0.00 -ATOM 9622 O1 H2O C3208 8.086 6.127 24.569 0.00 0.00 -ATOM 9623 H1 H2O C3208 9.028 5.813 24.694 0.00 0.00 -ATOM 9624 H2 H2O C3208 7.596 5.482 23.983 0.00 0.00 -ATOM 9625 O1 H2O C3209 36.246 58.473 58.395 0.00 0.00 -ATOM 9626 H1 H2O C3209 36.112 58.659 59.369 0.00 0.00 -ATOM 9627 H2 H2O C3209 36.558 57.531 58.276 0.00 0.00 -ATOM 9628 O1 H2O C3210 45.521 15.355 57.541 0.00 0.00 -ATOM 9629 H1 H2O C3210 44.557 15.120 57.666 0.00 0.00 -ATOM 9630 H2 H2O C3210 45.923 15.595 58.425 0.00 0.00 -ATOM 9631 O1 H2O C3211 10.206 46.392 11.532 0.00 0.00 -ATOM 9632 H1 H2O C3211 9.254 46.468 11.829 0.00 0.00 -ATOM 9633 H2 H2O C3211 10.733 47.159 11.901 0.00 0.00 -ATOM 9634 O1 H2O C3212 31.931 6.910 47.352 0.00 0.00 -ATOM 9635 H1 H2O C3212 32.101 7.421 46.509 0.00 0.00 -ATOM 9636 H2 H2O C3212 32.804 6.637 47.758 0.00 0.00 -ATOM 9637 O1 H2O C3213 35.058 51.845 28.224 0.00 0.00 -ATOM 9638 H1 H2O C3213 35.351 52.541 27.569 0.00 0.00 -ATOM 9639 H2 H2O C3213 35.325 52.122 29.147 0.00 0.00 -ATOM 9640 O1 H2O C3214 36.611 50.547 5.795 0.00 0.00 -ATOM 9641 H1 H2O C3214 36.339 49.610 6.016 0.00 0.00 -ATOM 9642 H2 H2O C3214 36.431 51.140 6.580 0.00 0.00 -ATOM 9643 O1 H2O C3215 43.988 36.135 32.566 0.00 0.00 -ATOM 9644 H1 H2O C3215 43.753 36.838 33.237 0.00 0.00 -ATOM 9645 H2 H2O C3215 43.375 36.208 31.779 0.00 0.00 -ATOM 9646 O1 H2O C3216 48.710 2.060 38.393 0.00 0.00 -ATOM 9647 H1 H2O C3216 48.398 1.223 37.943 0.00 0.00 -ATOM 9648 H2 H2O C3216 47.929 2.664 38.551 0.00 0.00 -ATOM 9649 O1 H2O C3217 30.804 59.219 7.773 0.00 0.00 -ATOM 9650 H1 H2O C3217 31.261 59.949 7.264 0.00 0.00 -ATOM 9651 H2 H2O C3217 31.469 58.508 8.006 0.00 0.00 -ATOM 9652 O1 H2O C3218 28.489 20.710 47.272 0.00 0.00 -ATOM 9653 H1 H2O C3218 28.694 19.769 47.002 0.00 0.00 -ATOM 9654 H2 H2O C3218 29.190 21.322 46.905 0.00 0.00 -ATOM 9655 O1 H2O C3219 3.557 37.789 29.036 0.00 0.00 -ATOM 9656 H1 H2O C3219 4.338 37.795 28.411 0.00 0.00 -ATOM 9657 H2 H2O C3219 3.684 37.072 29.721 0.00 0.00 -ATOM 9658 O1 H2O C3220 55.114 55.861 24.829 0.00 0.00 -ATOM 9659 H1 H2O C3220 54.708 54.975 25.053 0.00 0.00 -ATOM 9660 H2 H2O C3220 55.086 56.000 23.839 0.00 0.00 -ATOM 9661 O1 H2O C3221 54.158 45.888 24.040 0.00 0.00 -ATOM 9662 H1 H2O C3221 54.873 46.423 23.590 0.00 0.00 -ATOM 9663 H2 H2O C3221 54.382 45.782 25.009 0.00 0.00 -ATOM 9664 O1 H2O C3222 54.750 34.682 54.034 0.00 0.00 -ATOM 9665 H1 H2O C3222 55.495 34.030 53.895 0.00 0.00 -ATOM 9666 H2 H2O C3222 54.541 34.746 55.010 0.00 0.00 -ATOM 9667 O1 H2O C3223 40.358 46.120 54.563 0.00 0.00 -ATOM 9668 H1 H2O C3223 39.465 45.670 54.561 0.00 0.00 -ATOM 9669 H2 H2O C3223 40.912 45.765 53.810 0.00 0.00 -ATOM 9670 O1 H2O C3224 25.230 4.114 8.068 0.00 0.00 -ATOM 9671 H1 H2O C3224 26.118 3.658 8.018 0.00 0.00 -ATOM 9672 H2 H2O C3224 24.501 3.441 7.941 0.00 0.00 -ATOM 9673 O1 H2O C3225 37.243 20.790 39.332 0.00 0.00 -ATOM 9674 H1 H2O C3225 37.460 19.842 39.099 0.00 0.00 -ATOM 9675 H2 H2O C3225 36.284 20.855 39.608 0.00 0.00 -ATOM 9676 O1 H2O C3226 39.066 57.344 45.760 0.00 0.00 -ATOM 9677 H1 H2O C3226 39.170 57.479 44.774 0.00 0.00 -ATOM 9678 H2 H2O C3226 38.760 56.409 45.939 0.00 0.00 -ATOM 9679 O1 H2O C3227 57.947 19.526 37.855 0.00 0.00 -ATOM 9680 H1 H2O C3227 58.623 20.262 37.813 0.00 0.00 -ATOM 9681 H2 H2O C3227 57.807 19.150 36.939 0.00 0.00 -ATOM 9682 O1 H2O C3228 16.343 20.024 35.388 0.00 0.00 -ATOM 9683 H1 H2O C3228 16.011 20.567 34.616 0.00 0.00 -ATOM 9684 H2 H2O C3228 16.698 20.635 36.096 0.00 0.00 -ATOM 9685 O1 H2O C3229 43.845 53.881 53.936 0.00 0.00 -ATOM 9686 H1 H2O C3229 43.580 53.184 54.603 0.00 0.00 -ATOM 9687 H2 H2O C3229 44.369 54.599 54.397 0.00 0.00 -ATOM 9688 O1 H2O C3230 35.559 54.011 36.569 0.00 0.00 -ATOM 9689 H1 H2O C3230 34.731 53.783 36.057 0.00 0.00 -ATOM 9690 H2 H2O C3230 35.634 53.412 37.366 0.00 0.00 -ATOM 9691 O1 H2O C3231 55.346 -0.007 31.081 0.00 0.00 -ATOM 9692 H1 H2O C3231 55.156 0.473 30.224 0.00 0.00 -ATOM 9693 H2 H2O C3231 55.958 0.548 31.644 0.00 0.00 -ATOM 9694 O1 H2O C3232 48.548 9.990 45.640 0.00 0.00 -ATOM 9695 H1 H2O C3232 47.574 9.767 45.636 0.00 0.00 -ATOM 9696 H2 H2O C3232 48.880 10.016 46.583 0.00 0.00 -ATOM 9697 O1 H2O C3233 16.206 26.087 9.093 0.00 0.00 -ATOM 9698 H1 H2O C3233 15.480 25.441 8.855 0.00 0.00 -ATOM 9699 H2 H2O C3233 15.858 26.748 9.758 0.00 0.00 -ATOM 9700 O1 H2O C3234 56.461 7.235 34.519 0.00 0.00 -ATOM 9701 H1 H2O C3234 55.590 7.620 34.824 0.00 0.00 -ATOM 9702 H2 H2O C3234 56.353 6.848 33.604 0.00 0.00 -ATOM 9703 O1 H2O C3235 16.694 28.553 21.986 0.00 0.00 -ATOM 9704 H1 H2O C3235 15.815 29.018 22.088 0.00 0.00 -ATOM 9705 H2 H2O C3235 16.641 27.645 22.401 0.00 0.00 -ATOM 9706 O1 H2O C3236 20.658 11.322 41.126 0.00 0.00 -ATOM 9707 H1 H2O C3236 20.700 10.539 40.505 0.00 0.00 -ATOM 9708 H2 H2O C3236 21.577 11.692 41.258 0.00 0.00 -ATOM 9709 O1 H2O C3237 32.981 14.045 4.740 0.00 0.00 -ATOM 9710 H1 H2O C3237 33.297 13.321 4.127 0.00 0.00 -ATOM 9711 H2 H2O C3237 32.875 14.895 4.224 0.00 0.00 -ATOM 9712 O1 H2O C3238 36.445 43.257 43.184 0.00 0.00 -ATOM 9713 H1 H2O C3238 37.081 44.029 43.174 0.00 0.00 -ATOM 9714 H2 H2O C3238 36.459 42.803 42.294 0.00 0.00 -ATOM 9715 O1 H2O C3239 54.308 59.269 53.287 0.00 0.00 -ATOM 9716 H1 H2O C3239 54.686 60.157 53.550 0.00 0.00 -ATOM 9717 H2 H2O C3239 53.354 59.381 53.011 0.00 0.00 -ATOM 9718 O1 H2O C3240 8.228 38.364 30.714 0.00 0.00 -ATOM 9719 H1 H2O C3240 8.147 37.663 31.423 0.00 0.00 -ATOM 9720 H2 H2O C3240 9.147 38.337 30.322 0.00 0.00 -ATOM 9721 O1 H2O C3241 31.509 51.173 54.460 0.00 0.00 -ATOM 9722 H1 H2O C3241 31.585 51.036 53.472 0.00 0.00 -ATOM 9723 H2 H2O C3241 32.278 50.729 54.919 0.00 0.00 -ATOM 9724 O1 H2O C3242 21.071 14.947 37.384 0.00 0.00 -ATOM 9725 H1 H2O C3242 20.120 14.797 37.114 0.00 0.00 -ATOM 9726 H2 H2O C3242 21.154 14.854 38.376 0.00 0.00 -ATOM 9727 O1 H2O C3243 51.572 59.618 8.300 0.00 0.00 -ATOM 9728 H1 H2O C3243 51.465 60.344 7.621 0.00 0.00 -ATOM 9729 H2 H2O C3243 50.982 59.806 9.085 0.00 0.00 -ATOM 9730 O1 H2O C3244 30.832 41.385 58.081 0.00 0.00 -ATOM 9731 H1 H2O C3244 31.235 41.414 57.166 0.00 0.00 -ATOM 9732 H2 H2O C3244 30.827 42.305 58.472 0.00 0.00 -ATOM 9733 O1 H2O C3245 0.301 40.114 5.804 0.00 0.00 -ATOM 9734 H1 H2O C3245 0.560 40.848 6.431 0.00 0.00 -ATOM 9735 H2 H2O C3245 -0.625 40.276 5.465 0.00 0.00 -ATOM 9736 O1 H2O C3246 54.272 59.439 6.388 0.00 0.00 -ATOM 9737 H1 H2O C3246 54.695 59.175 7.255 0.00 0.00 -ATOM 9738 H2 H2O C3246 53.707 60.253 6.528 0.00 0.00 -ATOM 9739 O1 H2O C3247 43.463 13.088 34.673 0.00 0.00 -ATOM 9740 H1 H2O C3247 42.471 13.173 34.761 0.00 0.00 -ATOM 9741 H2 H2O C3247 43.872 14.000 34.622 0.00 0.00 -ATOM 9742 O1 H2O C3248 2.428 40.094 2.963 0.00 0.00 -ATOM 9743 H1 H2O C3248 3.197 39.876 3.563 0.00 0.00 -ATOM 9744 H2 H2O C3248 1.703 39.417 3.091 0.00 0.00 -ATOM 9745 O1 H2O C3249 6.833 41.301 3.598 0.00 0.00 -ATOM 9746 H1 H2O C3249 6.510 40.474 4.059 0.00 0.00 -ATOM 9747 H2 H2O C3249 7.738 41.544 3.946 0.00 0.00 -ATOM 9748 O1 H2O C3250 53.528 40.943 38.073 0.00 0.00 -ATOM 9749 H1 H2O C3250 52.850 41.430 37.522 0.00 0.00 -ATOM 9750 H2 H2O C3250 54.391 40.890 37.570 0.00 0.00 -ATOM 9751 O1 H2O C3251 49.543 18.951 12.832 0.00 0.00 -ATOM 9752 H1 H2O C3251 49.908 18.287 12.180 0.00 0.00 -ATOM 9753 H2 H2O C3251 49.105 19.700 12.335 0.00 0.00 -ATOM 9754 O1 H2O C3252 27.570 9.065 29.692 0.00 0.00 -ATOM 9755 H1 H2O C3252 27.162 8.287 30.170 0.00 0.00 -ATOM 9756 H2 H2O C3252 27.079 9.225 28.836 0.00 0.00 -ATOM 9757 O1 H2O C3253 50.227 31.868 28.495 0.00 0.00 -ATOM 9758 H1 H2O C3253 49.723 32.380 29.190 0.00 0.00 -ATOM 9759 H2 H2O C3253 50.580 31.022 28.894 0.00 0.00 -ATOM 9760 O1 H2O C3254 27.345 31.116 10.418 0.00 0.00 -ATOM 9761 H1 H2O C3254 26.656 31.199 9.698 0.00 0.00 -ATOM 9762 H2 H2O C3254 28.251 31.300 10.036 0.00 0.00 -ATOM 9763 O1 H2O C3255 35.361 45.799 47.804 0.00 0.00 -ATOM 9764 H1 H2O C3255 35.742 45.192 48.501 0.00 0.00 -ATOM 9765 H2 H2O C3255 36.097 46.330 47.385 0.00 0.00 -ATOM 9766 O1 H2O C3256 32.820 3.707 45.467 0.00 0.00 -ATOM 9767 H1 H2O C3256 33.041 2.990 46.128 0.00 0.00 -ATOM 9768 H2 H2O C3256 32.449 3.293 44.636 0.00 0.00 -ATOM 9769 O1 H2O C3257 39.331 24.092 7.761 0.00 0.00 -ATOM 9770 H1 H2O C3257 38.614 23.399 7.694 0.00 0.00 -ATOM 9771 H2 H2O C3257 38.914 24.993 7.878 0.00 0.00 -ATOM 9772 O1 H2O C3258 1.293 39.107 19.041 0.00 0.00 -ATOM 9773 H1 H2O C3258 1.006 38.305 18.516 0.00 0.00 -ATOM 9774 H2 H2O C3258 1.145 38.937 20.015 0.00 0.00 -ATOM 9775 O1 H2O C3259 34.983 43.897 7.517 0.00 0.00 -ATOM 9776 H1 H2O C3259 35.115 44.720 8.069 0.00 0.00 -ATOM 9777 H2 H2O C3259 34.187 44.018 6.924 0.00 0.00 -ATOM 9778 O1 H2O C3260 32.888 56.605 25.400 0.00 0.00 -ATOM 9779 H1 H2O C3260 32.712 56.844 26.354 0.00 0.00 -ATOM 9780 H2 H2O C3260 33.207 55.658 25.347 0.00 0.00 -ATOM 9781 O1 H2O C3261 34.831 11.425 59.390 0.00 0.00 -ATOM 9782 H1 H2O C3261 34.637 10.445 59.398 0.00 0.00 -ATOM 9783 H2 H2O C3261 35.560 11.626 60.045 0.00 0.00 -ATOM 9784 O1 H2O C3262 34.950 44.863 49.286 0.00 0.00 -ATOM 9785 H1 H2O C3262 33.989 45.022 49.064 0.00 0.00 -ATOM 9786 H2 H2O C3262 35.026 44.542 50.230 0.00 0.00 -ATOM 9787 O1 H2O C3263 39.958 4.305 45.194 0.00 0.00 -ATOM 9788 H1 H2O C3263 39.313 3.553 45.329 0.00 0.00 -ATOM 9789 H2 H2O C3263 39.953 4.580 44.233 0.00 0.00 -ATOM 9790 O1 H2O C3264 33.612 46.388 22.091 0.00 0.00 -ATOM 9791 H1 H2O C3264 33.324 47.067 22.765 0.00 0.00 -ATOM 9792 H2 H2O C3264 32.807 45.924 21.720 0.00 0.00 -ATOM 9793 O1 H2O C3265 13.433 12.910 50.704 0.00 0.00 -ATOM 9794 H1 H2O C3265 13.541 12.381 51.545 0.00 0.00 -ATOM 9795 H2 H2O C3265 12.461 12.980 50.476 0.00 0.00 -ATOM 9796 O1 H2O C3266 58.487 0.246 19.458 0.00 0.00 -ATOM 9797 H1 H2O C3266 57.579 0.323 19.871 0.00 0.00 -ATOM 9798 H2 H2O C3266 58.427 -0.295 18.619 0.00 0.00 -ATOM 9799 O1 H2O C3267 49.344 34.040 47.488 0.00 0.00 -ATOM 9800 H1 H2O C3267 48.709 33.512 46.925 0.00 0.00 -ATOM 9801 H2 H2O C3267 48.829 34.596 48.140 0.00 0.00 -ATOM 9802 O1 H2O C3268 11.252 16.253 16.502 0.00 0.00 -ATOM 9803 H1 H2O C3268 12.074 15.684 16.479 0.00 0.00 -ATOM 9804 H2 H2O C3268 10.452 15.677 16.672 0.00 0.00 -ATOM 9805 O1 H2O C3269 45.137 15.654 45.052 0.00 0.00 -ATOM 9806 H1 H2O C3269 45.965 16.174 45.262 0.00 0.00 -ATOM 9807 H2 H2O C3269 44.675 15.405 45.903 0.00 0.00 -ATOM 9808 O1 H2O C3270 5.776 23.441 19.378 0.00 0.00 -ATOM 9809 H1 H2O C3270 5.746 22.550 18.924 0.00 0.00 -ATOM 9810 H2 H2O C3270 6.709 23.800 19.347 0.00 0.00 -ATOM 9811 O1 H2O C3271 2.342 47.806 40.955 0.00 0.00 -ATOM 9812 H1 H2O C3271 3.178 48.345 40.863 0.00 0.00 -ATOM 9813 H2 H2O C3271 2.575 46.875 41.236 0.00 0.00 -ATOM 9814 O1 H2O C3272 11.513 1.052 2.324 0.00 0.00 -ATOM 9815 H1 H2O C3272 10.544 1.288 2.252 0.00 0.00 -ATOM 9816 H2 H2O C3272 12.065 1.778 1.914 0.00 0.00 -ATOM 9817 O1 H2O C3273 45.196 6.709 18.577 0.00 0.00 -ATOM 9818 H1 H2O C3273 45.092 7.255 19.408 0.00 0.00 -ATOM 9819 H2 H2O C3273 45.861 5.980 18.738 0.00 0.00 -ATOM 9820 O1 H2O C3274 49.610 34.169 57.879 0.00 0.00 -ATOM 9821 H1 H2O C3274 48.862 34.691 57.468 0.00 0.00 -ATOM 9822 H2 H2O C3274 49.526 34.194 58.875 0.00 0.00 -ATOM 9823 O1 H2O C3275 11.369 1.386 46.552 0.00 0.00 -ATOM 9824 H1 H2O C3275 10.516 1.481 47.064 0.00 0.00 -ATOM 9825 H2 H2O C3275 11.599 2.259 46.123 0.00 0.00 -ATOM 9826 O1 H2O C3276 53.889 30.882 44.938 0.00 0.00 -ATOM 9827 H1 H2O C3276 54.317 31.467 44.250 0.00 0.00 -ATOM 9828 H2 H2O C3276 54.155 31.192 45.851 0.00 0.00 -ATOM 9829 O1 H2O C3277 10.679 28.898 32.636 0.00 0.00 -ATOM 9830 H1 H2O C3277 11.502 28.407 32.351 0.00 0.00 -ATOM 9831 H2 H2O C3277 10.911 29.548 33.359 0.00 0.00 -ATOM 9832 O1 H2O C3278 52.642 31.825 47.534 0.00 0.00 -ATOM 9833 H1 H2O C3278 53.075 31.256 48.233 0.00 0.00 -ATOM 9834 H2 H2O C3278 51.808 32.233 47.906 0.00 0.00 -ATOM 9835 O1 H2O C3279 40.812 38.850 9.352 0.00 0.00 -ATOM 9836 H1 H2O C3279 40.602 39.079 8.402 0.00 0.00 -ATOM 9837 H2 H2O C3279 40.163 39.312 9.957 0.00 0.00 -ATOM 9838 O1 H2O C3280 22.197 39.542 0.142 0.00 0.00 -ATOM 9839 H1 H2O C3280 22.943 39.562 -0.524 0.00 0.00 -ATOM 9840 H2 H2O C3280 22.490 39.994 0.984 0.00 0.00 -ATOM 9841 O1 H2O C3281 49.078 10.856 39.143 0.00 0.00 -ATOM 9842 H1 H2O C3281 48.552 11.483 38.567 0.00 0.00 -ATOM 9843 H2 H2O C3281 48.457 10.200 39.573 0.00 0.00 -ATOM 9844 O1 H2O C3282 4.909 7.972 40.460 0.00 0.00 -ATOM 9845 H1 H2O C3282 5.889 7.984 40.658 0.00 0.00 -ATOM 9846 H2 H2O C3282 4.546 8.902 40.517 0.00 0.00 -ATOM 9847 O1 H2O C3283 20.207 58.382 17.159 0.00 0.00 -ATOM 9848 H1 H2O C3283 21.133 58.283 16.793 0.00 0.00 -ATOM 9849 H2 H2O C3283 19.548 58.364 16.408 0.00 0.00 -ATOM 9850 O1 H2O C3284 28.010 59.662 26.180 0.00 0.00 -ATOM 9851 H1 H2O C3284 27.779 58.704 26.351 0.00 0.00 -ATOM 9852 H2 H2O C3284 27.307 60.077 25.603 0.00 0.00 -ATOM 9853 O1 H2O C3285 52.360 13.285 29.868 0.00 0.00 -ATOM 9854 H1 H2O C3285 52.203 12.915 30.784 0.00 0.00 -ATOM 9855 H2 H2O C3285 52.154 14.263 29.864 0.00 0.00 -ATOM 9856 O1 H2O C3286 32.752 50.733 38.753 0.00 0.00 -ATOM 9857 H1 H2O C3286 32.346 50.336 37.929 0.00 0.00 -ATOM 9858 H2 H2O C3286 33.119 51.639 38.540 0.00 0.00 -ATOM 9859 O1 H2O C3287 35.499 40.982 9.116 0.00 0.00 -ATOM 9860 H1 H2O C3287 34.798 41.128 8.418 0.00 0.00 -ATOM 9861 H2 H2O C3287 36.158 40.304 8.789 0.00 0.00 -ATOM 9862 O1 H2O C3288 55.771 8.301 6.410 0.00 0.00 -ATOM 9863 H1 H2O C3288 55.760 7.682 5.625 0.00 0.00 -ATOM 9864 H2 H2O C3288 56.648 8.224 6.883 0.00 0.00 -ATOM 9865 O1 H2O C3289 9.228 41.644 10.980 0.00 0.00 -ATOM 9866 H1 H2O C3289 9.111 42.480 11.516 0.00 0.00 -ATOM 9867 H2 H2O C3289 8.541 40.972 11.256 0.00 0.00 -ATOM 9868 O1 H2O C3290 38.770 38.428 45.901 0.00 0.00 -ATOM 9869 H1 H2O C3290 37.907 37.950 45.743 0.00 0.00 -ATOM 9870 H2 H2O C3290 39.095 38.822 45.042 0.00 0.00 -ATOM 9871 O1 H2O C3291 13.807 17.927 35.738 0.00 0.00 -ATOM 9872 H1 H2O C3291 13.057 17.340 35.433 0.00 0.00 -ATOM 9873 H2 H2O C3291 13.856 17.913 36.737 0.00 0.00 -ATOM 9874 O1 H2O C3292 12.319 19.536 40.493 0.00 0.00 -ATOM 9875 H1 H2O C3292 12.143 20.114 41.290 0.00 0.00 -ATOM 9876 H2 H2O C3292 12.732 20.086 39.767 0.00 0.00 -ATOM 9877 O1 H2O C3293 51.580 53.381 33.257 0.00 0.00 -ATOM 9878 H1 H2O C3293 50.761 53.365 32.684 0.00 0.00 -ATOM 9879 H2 H2O C3293 51.448 52.779 34.044 0.00 0.00 -ATOM 9880 O1 H2O C3294 39.818 1.113 20.884 0.00 0.00 -ATOM 9881 H1 H2O C3294 39.807 0.578 20.039 0.00 0.00 -ATOM 9882 H2 H2O C3294 40.707 1.560 20.983 0.00 0.00 -ATOM 9883 O1 H2O C3295 5.533 5.942 6.278 0.00 0.00 -ATOM 9884 H1 H2O C3295 4.860 5.410 5.765 0.00 0.00 -ATOM 9885 H2 H2O C3295 5.330 6.917 6.184 0.00 0.00 -ATOM 9886 O1 H2O C3296 15.589 18.843 20.009 0.00 0.00 -ATOM 9887 H1 H2O C3296 14.879 18.140 19.954 0.00 0.00 -ATOM 9888 H2 H2O C3296 15.319 19.536 20.678 0.00 0.00 -ATOM 9889 O1 H2O C3297 33.214 2.936 18.794 0.00 0.00 -ATOM 9890 H1 H2O C3297 32.791 2.433 19.548 0.00 0.00 -ATOM 9891 H2 H2O C3297 33.733 3.709 19.159 0.00 0.00 -ATOM 9892 O1 H2O C3298 10.186 53.860 7.931 0.00 0.00 -ATOM 9893 H1 H2O C3298 9.270 54.036 7.570 0.00 0.00 -ATOM 9894 H2 H2O C3298 10.185 53.992 8.922 0.00 0.00 -ATOM 9895 O1 H2O C3299 5.426 27.659 48.733 0.00 0.00 -ATOM 9896 H1 H2O C3299 6.125 26.953 48.620 0.00 0.00 -ATOM 9897 H2 H2O C3299 4.614 27.259 49.158 0.00 0.00 -ATOM 9898 O1 H2O C3300 36.428 38.914 22.556 0.00 0.00 -ATOM 9899 H1 H2O C3300 37.288 39.123 22.090 0.00 0.00 -ATOM 9900 H2 H2O C3300 36.622 38.475 23.434 0.00 0.00 -ATOM 9901 O1 H2O C3301 34.815 39.358 44.599 0.00 0.00 -ATOM 9902 H1 H2O C3301 34.502 38.495 44.203 0.00 0.00 -ATOM 9903 H2 H2O C3301 34.801 39.291 45.597 0.00 0.00 -ATOM 9904 O1 H2O C3302 13.903 9.661 15.848 0.00 0.00 -ATOM 9905 H1 H2O C3302 13.469 10.515 16.136 0.00 0.00 -ATOM 9906 H2 H2O C3302 14.426 9.280 16.611 0.00 0.00 -ATOM 9907 O1 H2O C3303 15.312 20.996 7.203 0.00 0.00 -ATOM 9908 H1 H2O C3303 16.296 20.890 7.060 0.00 0.00 -ATOM 9909 H2 H2O C3303 15.139 21.249 8.156 0.00 0.00 -ATOM 9910 O1 H2O C3304 22.728 52.893 51.213 0.00 0.00 -ATOM 9911 H1 H2O C3304 22.076 52.538 51.883 0.00 0.00 -ATOM 9912 H2 H2O C3304 22.892 53.863 51.389 0.00 0.00 -ATOM 9913 O1 H2O C3305 40.063 23.331 29.246 0.00 0.00 -ATOM 9914 H1 H2O C3305 39.111 23.625 29.164 0.00 0.00 -ATOM 9915 H2 H2O C3305 40.188 22.466 28.760 0.00 0.00 -ATOM 9916 O1 H2O C3306 29.836 2.097 1.868 0.00 0.00 -ATOM 9917 H1 H2O C3306 30.723 2.560 1.863 0.00 0.00 -ATOM 9918 H2 H2O C3306 29.135 2.716 1.513 0.00 0.00 -ATOM 9919 O1 H2O C3307 35.944 56.812 31.301 0.00 0.00 -ATOM 9920 H1 H2O C3307 35.697 56.244 30.516 0.00 0.00 -ATOM 9921 H2 H2O C3307 35.511 57.709 31.213 0.00 0.00 -ATOM 9922 O1 H2O C3308 13.259 57.319 4.504 0.00 0.00 -ATOM 9923 H1 H2O C3308 12.503 57.459 5.143 0.00 0.00 -ATOM 9924 H2 H2O C3308 13.251 56.373 4.179 0.00 0.00 -ATOM 9925 O1 H2O C3309 42.630 43.390 18.514 0.00 0.00 -ATOM 9926 H1 H2O C3309 41.999 44.100 18.825 0.00 0.00 -ATOM 9927 H2 H2O C3309 43.467 43.815 18.169 0.00 0.00 -ATOM 9928 O1 H2O C3310 51.516 21.472 10.045 0.00 0.00 -ATOM 9929 H1 H2O C3310 52.300 21.968 10.416 0.00 0.00 -ATOM 9930 H2 H2O C3310 50.678 21.795 10.485 0.00 0.00 -ATOM 9931 O1 H2O C3311 31.945 4.405 25.039 0.00 0.00 -ATOM 9932 H1 H2O C3311 31.927 4.623 24.063 0.00 0.00 -ATOM 9933 H2 H2O C3311 31.459 3.546 25.198 0.00 0.00 -ATOM 9934 O1 H2O C3312 26.569 22.097 27.569 0.00 0.00 -ATOM 9935 H1 H2O C3312 27.442 21.721 27.879 0.00 0.00 -ATOM 9936 H2 H2O C3312 25.849 21.847 28.217 0.00 0.00 -ATOM 9937 O1 H2O C3313 24.118 25.270 9.782 0.00 0.00 -ATOM 9938 H1 H2O C3313 24.110 25.061 10.760 0.00 0.00 -ATOM 9939 H2 H2O C3313 24.933 24.870 9.363 0.00 0.00 -ATOM 9940 O1 H2O C3314 1.703 27.284 38.169 0.00 0.00 -ATOM 9941 H1 H2O C3314 1.835 26.296 38.243 0.00 0.00 -ATOM 9942 H2 H2O C3314 2.524 27.755 38.493 0.00 0.00 -ATOM 9943 O1 H2O C3315 25.652 20.668 21.685 0.00 0.00 -ATOM 9944 H1 H2O C3315 25.558 19.683 21.537 0.00 0.00 -ATOM 9945 H2 H2O C3315 26.009 21.097 20.855 0.00 0.00 -ATOM 9946 O1 H2O C3316 48.321 32.627 29.730 0.00 0.00 -ATOM 9947 H1 H2O C3316 48.339 33.535 30.148 0.00 0.00 -ATOM 9948 H2 H2O C3316 48.924 32.615 28.932 0.00 0.00 -ATOM 9949 O1 H2O C3317 28.205 47.544 5.974 0.00 0.00 -ATOM 9950 H1 H2O C3317 28.503 46.835 6.613 0.00 0.00 -ATOM 9951 H2 H2O C3317 27.406 48.015 6.349 0.00 0.00 -ATOM 9952 O1 H2O C3318 42.334 44.916 7.200 0.00 0.00 -ATOM 9953 H1 H2O C3318 41.826 44.534 6.427 0.00 0.00 -ATOM 9954 H2 H2O C3318 43.308 44.718 7.089 0.00 0.00 -ATOM 9955 O1 H2O C3319 30.393 47.180 46.445 0.00 0.00 -ATOM 9956 H1 H2O C3319 31.353 46.915 46.358 0.00 0.00 -ATOM 9957 H2 H2O C3319 30.312 47.931 47.100 0.00 0.00 -ATOM 9958 O1 H2O C3320 37.235 60.140 7.768 0.00 0.00 -ATOM 9959 H1 H2O C3320 37.386 59.905 8.728 0.00 0.00 -ATOM 9960 H2 H2O C3320 36.345 59.790 7.475 0.00 0.00 -ATOM 9961 O1 H2O C3321 30.419 40.518 4.978 0.00 0.00 -ATOM 9962 H1 H2O C3321 30.709 41.461 5.144 0.00 0.00 -ATOM 9963 H2 H2O C3321 29.839 40.210 5.732 0.00 0.00 -ATOM 9964 O1 H2O C3322 58.290 57.973 42.061 0.00 0.00 -ATOM 9965 H1 H2O C3322 57.808 58.849 42.032 0.00 0.00 -ATOM 9966 H2 H2O C3322 58.549 57.766 43.004 0.00 0.00 -ATOM 9967 O1 H2O C3323 32.646 58.002 10.174 0.00 0.00 -ATOM 9968 H1 H2O C3323 33.193 58.674 10.673 0.00 0.00 -ATOM 9969 H2 H2O C3323 33.210 57.573 9.467 0.00 0.00 -ATOM 9970 O1 H2O C3324 53.727 54.250 43.183 0.00 0.00 -ATOM 9971 H1 H2O C3324 53.832 53.273 43.366 0.00 0.00 -ATOM 9972 H2 H2O C3324 53.134 54.379 42.388 0.00 0.00 -ATOM 9973 O1 H2O C3325 10.075 4.677 57.556 0.00 0.00 -ATOM 9974 H1 H2O C3325 11.025 4.823 57.280 0.00 0.00 -ATOM 9975 H2 H2O C3325 10.037 4.502 58.540 0.00 0.00 -ATOM 9976 O1 H2O C3326 5.558 19.901 36.609 0.00 0.00 -ATOM 9977 H1 H2O C3326 5.289 20.764 36.180 0.00 0.00 -ATOM 9978 H2 H2O C3326 6.383 19.552 36.165 0.00 0.00 -ATOM 9979 O1 H2O C3327 31.978 42.164 45.276 0.00 0.00 -ATOM 9980 H1 H2O C3327 32.703 42.845 45.175 0.00 0.00 -ATOM 9981 H2 H2O C3327 31.571 41.974 44.383 0.00 0.00 -ATOM 9982 O1 H2O C3328 23.476 32.639 26.864 0.00 0.00 -ATOM 9983 H1 H2O C3328 22.834 32.587 26.099 0.00 0.00 -ATOM 9984 H2 H2O C3328 23.693 33.597 27.054 0.00 0.00 -ATOM 9985 O1 H2O C3329 57.011 50.617 43.140 0.00 0.00 -ATOM 9986 H1 H2O C3329 56.326 49.941 42.867 0.00 0.00 -ATOM 9987 H2 H2O C3329 56.551 51.445 43.462 0.00 0.00 -ATOM 9988 O1 H2O C3330 51.969 45.052 52.273 0.00 0.00 -ATOM 9989 H1 H2O C3330 51.512 44.948 51.389 0.00 0.00 -ATOM 9990 H2 H2O C3330 52.153 44.148 52.661 0.00 0.00 -ATOM 9991 O1 H2O C3331 24.344 1.403 6.397 0.00 0.00 -ATOM 9992 H1 H2O C3331 24.233 2.024 5.621 0.00 0.00 -ATOM 9993 H2 H2O C3331 23.458 1.001 6.631 0.00 0.00 -ATOM 9994 O1 H2O C3332 1.362 39.442 3.716 0.00 0.00 -ATOM 9995 H1 H2O C3332 1.679 40.186 4.305 0.00 0.00 -ATOM 9996 H2 H2O C3332 0.863 38.772 4.265 0.00 0.00 -ATOM 9997 O1 H2O C3333 51.375 21.865 10.248 0.00 0.00 -ATOM 9998 H1 H2O C3333 51.830 20.978 10.329 0.00 0.00 -ATOM 9999 H2 H2O C3333 50.395 21.726 10.108 0.00 0.00 -ATOM 10000 O1 H2O C3334 46.282 57.673 19.704 0.00 0.00 -ATOM 10001 H1 H2O C3334 47.225 57.414 19.916 0.00 0.00 -ATOM 10002 H2 H2O C3334 46.280 58.527 19.183 0.00 0.00 -ATOM 10003 O1 H2O C3335 15.528 7.751 24.352 0.00 0.00 -ATOM 10004 H1 H2O C3335 14.974 7.020 24.751 0.00 0.00 -ATOM 10005 H2 H2O C3335 15.814 7.486 23.431 0.00 0.00 -ATOM 10006 O1 H2O C3336 20.904 57.614 41.881 0.00 0.00 -ATOM 10007 H1 H2O C3336 21.031 57.547 40.891 0.00 0.00 -ATOM 10008 H2 H2O C3336 20.657 56.717 42.246 0.00 0.00 -ATOM 10009 O1 H2O C3337 27.954 33.853 43.095 0.00 0.00 -ATOM 10010 H1 H2O C3337 27.233 34.546 43.074 0.00 0.00 -ATOM 10011 H2 H2O C3337 27.584 32.977 42.786 0.00 0.00 -ATOM 10012 O1 H2O C3338 45.693 57.731 14.699 0.00 0.00 -ATOM 10013 H1 H2O C3338 44.785 57.345 14.863 0.00 0.00 -ATOM 10014 H2 H2O C3338 45.712 58.169 13.801 0.00 0.00 -ATOM 10015 O1 H2O C3339 17.365 58.454 44.683 0.00 0.00 -ATOM 10016 H1 H2O C3339 16.862 59.318 44.651 0.00 0.00 -ATOM 10017 H2 H2O C3339 17.142 57.970 45.529 0.00 0.00 -ATOM 10018 O1 H2O C3340 29.223 0.325 4.286 0.00 0.00 -ATOM 10019 H1 H2O C3340 28.951 0.473 3.335 0.00 0.00 -ATOM 10020 H2 H2O C3340 28.411 0.328 4.869 0.00 0.00 -ATOM 10021 O1 H2O C3341 59.564 7.175 21.733 0.00 0.00 -ATOM 10022 H1 H2O C3341 59.768 6.922 20.788 0.00 0.00 -ATOM 10023 H2 H2O C3341 60.377 7.578 22.154 0.00 0.00 -ATOM 10024 O1 H2O C3342 51.400 9.896 36.321 0.00 0.00 -ATOM 10025 H1 H2O C3342 52.138 9.309 35.989 0.00 0.00 -ATOM 10026 H2 H2O C3342 50.536 9.393 36.295 0.00 0.00 -ATOM 10027 O1 H2O C3343 2.657 55.513 33.492 0.00 0.00 -ATOM 10028 H1 H2O C3343 3.367 55.013 33.989 0.00 0.00 -ATOM 10029 H2 H2O C3343 3.002 56.416 33.237 0.00 0.00 -ATOM 10030 O1 H2O C3344 4.946 38.076 7.245 0.00 0.00 -ATOM 10031 H1 H2O C3344 4.871 38.628 6.415 0.00 0.00 -ATOM 10032 H2 H2O C3344 4.134 37.499 7.337 0.00 0.00 -ATOM 10033 O1 H2O C3345 50.840 37.205 57.442 0.00 0.00 -ATOM 10034 H1 H2O C3345 50.060 36.866 56.916 0.00 0.00 -ATOM 10035 H2 H2O C3345 51.171 36.484 58.051 0.00 0.00 -ATOM 10036 O1 H2O C3346 20.073 52.556 57.341 0.00 0.00 -ATOM 10037 H1 H2O C3346 20.647 52.694 56.534 0.00 0.00 -ATOM 10038 H2 H2O C3346 19.191 52.176 57.062 0.00 0.00 -ATOM 10039 O1 H2O C3347 41.682 14.774 23.760 0.00 0.00 -ATOM 10040 H1 H2O C3347 41.231 15.231 24.527 0.00 0.00 -ATOM 10041 H2 H2O C3347 42.360 14.128 24.109 0.00 0.00 -ATOM 10042 O1 H2O C3348 16.691 38.355 26.320 0.00 0.00 -ATOM 10043 H1 H2O C3348 16.263 38.709 25.489 0.00 0.00 -ATOM 10044 H2 H2O C3348 16.285 38.797 27.120 0.00 0.00 -ATOM 10045 O1 H2O C3349 16.035 39.583 55.908 0.00 0.00 -ATOM 10046 H1 H2O C3349 16.684 40.116 56.451 0.00 0.00 -ATOM 10047 H2 H2O C3349 15.385 39.129 56.517 0.00 0.00 -ATOM 10048 O1 H2O C3350 43.911 17.827 5.048 0.00 0.00 -ATOM 10049 H1 H2O C3350 44.458 17.894 4.213 0.00 0.00 -ATOM 10050 H2 H2O C3350 43.595 16.885 5.164 0.00 0.00 -ATOM 10051 O1 H2O C3351 38.229 33.280 52.119 0.00 0.00 -ATOM 10052 H1 H2O C3351 38.408 32.445 51.598 0.00 0.00 -ATOM 10053 H2 H2O C3351 38.639 33.199 53.028 0.00 0.00 -ATOM 10054 O1 H2O C3352 37.042 46.058 23.201 0.00 0.00 -ATOM 10055 H1 H2O C3352 36.295 46.713 23.310 0.00 0.00 -ATOM 10056 H2 H2O C3352 37.788 46.297 23.822 0.00 0.00 -ATOM 10057 O1 H2O C3353 13.992 50.136 36.583 0.00 0.00 -ATOM 10058 H1 H2O C3353 13.219 49.617 36.219 0.00 0.00 -ATOM 10059 H2 H2O C3353 13.652 50.896 37.137 0.00 0.00 -ATOM 10060 O1 H2O C3354 53.008 36.277 3.920 0.00 0.00 -ATOM 10061 H1 H2O C3354 53.063 36.860 3.110 0.00 0.00 -ATOM 10062 H2 H2O C3354 52.094 36.349 4.321 0.00 0.00 -ATOM 10063 O1 H2O C3355 49.399 59.916 38.827 0.00 0.00 -ATOM 10064 H1 H2O C3355 49.432 60.455 39.668 0.00 0.00 -ATOM 10065 H2 H2O C3355 50.227 59.360 38.755 0.00 0.00 -ATOM 10066 O1 H2O C3356 4.576 53.595 29.140 0.00 0.00 -ATOM 10067 H1 H2O C3356 5.494 53.702 29.523 0.00 0.00 -ATOM 10068 H2 H2O C3356 4.166 52.751 29.485 0.00 0.00 -ATOM 10069 O1 H2O C3357 20.210 49.950 54.930 0.00 0.00 -ATOM 10070 H1 H2O C3357 19.335 49.794 55.387 0.00 0.00 -ATOM 10071 H2 H2O C3357 20.790 50.525 55.508 0.00 0.00 -ATOM 10072 O1 H2O C3358 56.037 56.283 29.592 0.00 0.00 -ATOM 10073 H1 H2O C3358 56.342 57.159 29.218 0.00 0.00 -ATOM 10074 H2 H2O C3358 55.420 55.840 28.943 0.00 0.00 -ATOM 10075 O1 H2O C3359 42.666 5.513 57.865 0.00 0.00 -ATOM 10076 H1 H2O C3359 41.850 5.027 58.178 0.00 0.00 -ATOM 10077 H2 H2O C3359 42.699 5.501 56.866 0.00 0.00 -ATOM 10078 O1 H2O C3360 59.289 21.739 55.601 0.00 0.00 -ATOM 10079 H1 H2O C3360 59.362 20.837 55.176 0.00 0.00 -ATOM 10080 H2 H2O C3360 58.577 21.719 56.303 0.00 0.00 -ATOM 10081 O1 H2O C3361 41.459 51.228 44.747 0.00 0.00 -ATOM 10082 H1 H2O C3361 40.738 51.527 45.372 0.00 0.00 -ATOM 10083 H2 H2O C3361 42.285 51.013 45.268 0.00 0.00 -ATOM 10084 O1 H2O C3362 50.135 39.502 20.950 0.00 0.00 -ATOM 10085 H1 H2O C3362 50.338 38.623 21.381 0.00 0.00 -ATOM 10086 H2 H2O C3362 50.675 39.595 20.113 0.00 0.00 -ATOM 10087 O1 H2O C3363 54.514 40.837 36.855 0.00 0.00 -ATOM 10088 H1 H2O C3363 54.980 40.839 37.740 0.00 0.00 -ATOM 10089 H2 H2O C3363 54.505 39.908 36.485 0.00 0.00 -ATOM 10090 O1 H2O C3364 36.876 18.041 14.097 0.00 0.00 -ATOM 10091 H1 H2O C3364 35.908 17.873 14.286 0.00 0.00 -ATOM 10092 H2 H2O C3364 37.429 17.688 14.851 0.00 0.00 -ATOM 10093 O1 H2O C3365 9.730 4.485 20.442 0.00 0.00 -ATOM 10094 H1 H2O C3365 9.739 3.979 21.304 0.00 0.00 -ATOM 10095 H2 H2O C3365 9.334 5.392 20.591 0.00 0.00 -ATOM 10096 O1 H2O C3366 2.058 9.935 47.498 0.00 0.00 -ATOM 10097 H1 H2O C3366 1.762 10.587 46.799 0.00 0.00 -ATOM 10098 H2 H2O C3366 3.054 9.963 47.579 0.00 0.00 -ATOM 10099 O1 H2O C3367 24.080 23.067 46.910 0.00 0.00 -ATOM 10100 H1 H2O C3367 23.317 23.293 47.515 0.00 0.00 -ATOM 10101 H2 H2O C3367 24.795 22.605 47.435 0.00 0.00 -ATOM 10102 O1 H2O C3368 39.319 8.722 49.169 0.00 0.00 -ATOM 10103 H1 H2O C3368 38.787 7.991 48.742 0.00 0.00 -ATOM 10104 H2 H2O C3368 40.262 8.416 49.297 0.00 0.00 -ATOM 10105 O1 H2O C3369 55.120 59.857 58.315 0.00 0.00 -ATOM 10106 H1 H2O C3369 54.867 59.153 57.653 0.00 0.00 -ATOM 10107 H2 H2O C3369 55.779 60.485 57.900 0.00 0.00 -ATOM 10108 O1 H2O C3370 27.573 55.411 25.282 0.00 0.00 -ATOM 10109 H1 H2O C3370 28.218 54.870 25.821 0.00 0.00 -ATOM 10110 H2 H2O C3370 27.032 55.990 25.893 0.00 0.00 -ATOM 10111 O1 H2O C3371 40.937 18.152 3.055 0.00 0.00 -ATOM 10112 H1 H2O C3371 41.340 19.050 3.231 0.00 0.00 -ATOM 10113 H2 H2O C3371 39.951 18.251 2.919 0.00 0.00 -ATOM 10114 O1 H2O C3372 29.311 5.815 1.478 0.00 0.00 -ATOM 10115 H1 H2O C3372 30.171 5.332 1.310 0.00 0.00 -ATOM 10116 H2 H2O C3372 29.383 6.338 2.328 0.00 0.00 -ATOM 10117 O1 H2O C3373 14.072 37.597 31.341 0.00 0.00 -ATOM 10118 H1 H2O C3373 13.968 36.609 31.225 0.00 0.00 -ATOM 10119 H2 H2O C3373 13.214 37.985 31.678 0.00 0.00 -ATOM 10120 O1 H2O C3374 37.884 22.236 32.733 0.00 0.00 -ATOM 10121 H1 H2O C3374 38.749 22.728 32.833 0.00 0.00 -ATOM 10122 H2 H2O C3374 37.561 22.320 31.791 0.00 0.00 -ATOM 10123 O1 H2O C3375 44.840 23.470 39.442 0.00 0.00 -ATOM 10124 H1 H2O C3375 45.362 24.233 39.060 0.00 0.00 -ATOM 10125 H2 H2O C3375 45.351 22.620 39.314 0.00 0.00 -ATOM 10126 O1 H2O C3376 9.533 51.788 24.586 0.00 0.00 -ATOM 10127 H1 H2O C3376 10.106 51.053 24.948 0.00 0.00 -ATOM 10128 H2 H2O C3376 8.593 51.461 24.491 0.00 0.00 -ATOM 10129 O1 H2O C3377 44.714 51.951 31.923 0.00 0.00 -ATOM 10130 H1 H2O C3377 44.692 50.970 32.119 0.00 0.00 -ATOM 10131 H2 H2O C3377 43.877 52.378 32.264 0.00 0.00 -ATOM 10132 O1 H2O C3378 49.584 21.774 37.626 0.00 0.00 -ATOM 10133 H1 H2O C3378 49.191 22.207 36.815 0.00 0.00 -ATOM 10134 H2 H2O C3378 50.402 22.276 37.908 0.00 0.00 -ATOM 10135 O1 H2O C3379 39.064 35.702 30.257 0.00 0.00 -ATOM 10136 H1 H2O C3379 39.822 35.451 30.859 0.00 0.00 -ATOM 10137 H2 H2O C3379 38.274 35.969 30.810 0.00 0.00 -ATOM 10138 O1 H2O C3380 6.750 48.944 30.622 0.00 0.00 -ATOM 10139 H1 H2O C3380 6.918 48.701 31.578 0.00 0.00 -ATOM 10140 H2 H2O C3380 5.814 48.695 30.375 0.00 0.00 -ATOM 10141 O1 H2O C3381 59.266 59.393 0.774 0.00 0.00 -ATOM 10142 H1 H2O C3381 58.400 59.339 1.271 0.00 0.00 -ATOM 10143 H2 H2O C3381 59.705 58.495 0.770 0.00 0.00 -ATOM 10144 O1 H2O C3382 17.147 50.309 58.775 0.00 0.00 -ATOM 10145 H1 H2O C3382 17.272 49.736 57.965 0.00 0.00 -ATOM 10146 H2 H2O C3382 17.667 51.156 58.669 0.00 0.00 -ATOM 10147 O1 H2O C3383 20.084 35.461 38.334 0.00 0.00 -ATOM 10148 H1 H2O C3383 20.896 35.221 38.865 0.00 0.00 -ATOM 10149 H2 H2O C3383 19.775 34.662 37.817 0.00 0.00 -ATOM 10150 O1 H2O C3384 47.429 51.702 35.565 0.00 0.00 -ATOM 10151 H1 H2O C3384 46.988 52.198 34.817 0.00 0.00 -ATOM 10152 H2 H2O C3384 48.390 51.543 35.339 0.00 0.00 -ATOM 10153 O1 H2O C3385 39.215 16.486 11.359 0.00 0.00 -ATOM 10154 H1 H2O C3385 39.445 15.607 11.776 0.00 0.00 -ATOM 10155 H2 H2O C3385 38.964 16.347 10.402 0.00 0.00 -ATOM 10156 O1 H2O C3386 22.614 18.911 21.974 0.00 0.00 -ATOM 10157 H1 H2O C3386 22.096 18.534 21.207 0.00 0.00 -ATOM 10158 H2 H2O C3386 21.981 19.257 22.667 0.00 0.00 -ATOM 10159 O1 H2O C3387 43.875 26.933 50.757 0.00 0.00 -ATOM 10160 H1 H2O C3387 43.068 26.687 51.293 0.00 0.00 -ATOM 10161 H2 H2O C3387 43.747 26.643 49.808 0.00 0.00 -ATOM 10162 O1 H2O C3388 51.379 13.956 48.608 0.00 0.00 -ATOM 10163 H1 H2O C3388 51.640 14.812 48.161 0.00 0.00 -ATOM 10164 H2 H2O C3388 52.191 13.522 48.998 0.00 0.00 -ATOM 10165 O1 H2O C3389 15.217 24.432 55.788 0.00 0.00 -ATOM 10166 H1 H2O C3389 15.128 25.272 56.324 0.00 0.00 -ATOM 10167 H2 H2O C3389 15.934 24.549 55.101 0.00 0.00 -ATOM 10168 O1 H2O C3390 55.199 3.811 9.895 0.00 0.00 -ATOM 10169 H1 H2O C3390 55.563 3.027 10.398 0.00 0.00 -ATOM 10170 H2 H2O C3390 54.202 3.747 9.854 0.00 0.00 -ATOM 10171 O1 H2O C3391 43.187 35.324 11.827 0.00 0.00 -ATOM 10172 H1 H2O C3391 42.820 35.154 12.741 0.00 0.00 -ATOM 10173 H2 H2O C3391 43.335 34.453 11.359 0.00 0.00 -ATOM 10174 O1 H2O C3392 43.915 39.167 19.996 0.00 0.00 -ATOM 10175 H1 H2O C3392 43.386 38.677 19.303 0.00 0.00 -ATOM 10176 H2 H2O C3392 43.948 38.624 20.836 0.00 0.00 -ATOM 10177 O1 H2O C3393 20.422 33.056 56.314 0.00 0.00 -ATOM 10178 H1 H2O C3393 20.645 32.822 55.367 0.00 0.00 -ATOM 10179 H2 H2O C3393 19.687 32.462 56.639 0.00 0.00 -ATOM 10180 O1 H2O C3394 56.667 21.803 23.063 0.00 0.00 -ATOM 10181 H1 H2O C3394 57.177 22.103 23.870 0.00 0.00 -ATOM 10182 H2 H2O C3394 56.820 22.449 22.315 0.00 0.00 -ATOM 10183 O1 H2O C3395 40.345 37.106 11.100 0.00 0.00 -ATOM 10184 H1 H2O C3395 39.941 37.311 10.208 0.00 0.00 -ATOM 10185 H2 H2O C3395 39.652 37.214 11.812 0.00 0.00 -ATOM 10186 O1 H2O C3396 15.880 59.929 33.950 0.00 0.00 -ATOM 10187 H1 H2O C3396 15.167 59.389 33.503 0.00 0.00 -ATOM 10188 H2 H2O C3396 16.517 60.276 33.262 0.00 0.00 -ATOM 10189 O1 H2O C3397 4.708 19.467 34.899 0.00 0.00 -ATOM 10190 H1 H2O C3397 4.710 18.504 35.166 0.00 0.00 -ATOM 10191 H2 H2O C3397 4.144 19.989 35.539 0.00 0.00 -ATOM 10192 O1 H2O C3398 9.565 27.610 21.646 0.00 0.00 -ATOM 10193 H1 H2O C3398 9.760 27.178 20.765 0.00 0.00 -ATOM 10194 H2 H2O C3398 9.239 26.919 22.291 0.00 0.00 -ATOM 10195 O1 H2O C3399 35.293 23.493 41.393 0.00 0.00 -ATOM 10196 H1 H2O C3399 35.529 23.371 42.357 0.00 0.00 -ATOM 10197 H2 H2O C3399 34.755 24.330 41.285 0.00 0.00 -ATOM 10198 O1 H2O C3400 23.666 57.978 41.924 0.00 0.00 -ATOM 10199 H1 H2O C3400 23.254 57.094 41.702 0.00 0.00 -ATOM 10200 H2 H2O C3400 24.267 57.877 42.716 0.00 0.00 -ATOM 10201 O1 H2O C3401 5.111 42.597 4.288 0.00 0.00 -ATOM 10202 H1 H2O C3401 4.694 43.224 3.629 0.00 0.00 -ATOM 10203 H2 H2O C3401 6.052 42.402 4.013 0.00 0.00 -ATOM 10204 O1 H2O C3402 45.463 46.920 10.685 0.00 0.00 -ATOM 10205 H1 H2O C3402 45.128 47.861 10.728 0.00 0.00 -ATOM 10206 H2 H2O C3402 46.422 46.894 10.968 0.00 0.00 -ATOM 10207 O1 H2O C3403 26.163 3.949 21.492 0.00 0.00 -ATOM 10208 H1 H2O C3403 25.744 4.469 20.747 0.00 0.00 -ATOM 10209 H2 H2O C3403 26.668 4.572 22.089 0.00 0.00 -ATOM 10210 O1 H2O C3404 42.831 33.247 48.855 0.00 0.00 -ATOM 10211 H1 H2O C3404 42.337 32.409 49.085 0.00 0.00 -ATOM 10212 H2 H2O C3404 43.133 33.697 49.696 0.00 0.00 -ATOM 10213 O1 H2O C3405 24.658 4.047 31.512 0.00 0.00 -ATOM 10214 H1 H2O C3405 24.579 3.051 31.472 0.00 0.00 -ATOM 10215 H2 H2O C3405 24.140 4.453 30.758 0.00 0.00 -ATOM 10216 O1 H2O C3406 15.072 0.814 40.433 0.00 0.00 -ATOM 10217 H1 H2O C3406 15.589 1.087 39.623 0.00 0.00 -ATOM 10218 H2 H2O C3406 15.444 -0.041 40.794 0.00 0.00 -ATOM 10219 O1 H2O C3407 33.594 8.381 42.334 0.00 0.00 -ATOM 10220 H1 H2O C3407 34.190 9.032 42.806 0.00 0.00 -ATOM 10221 H2 H2O C3407 34.137 7.834 41.697 0.00 0.00 -ATOM 10222 O1 H2O C3408 6.294 33.115 27.162 0.00 0.00 -ATOM 10223 H1 H2O C3408 5.294 33.097 27.169 0.00 0.00 -ATOM 10224 H2 H2O C3408 6.613 34.021 27.439 0.00 0.00 -ATOM 10225 O1 H2O C3409 53.354 44.932 37.085 0.00 0.00 -ATOM 10226 H1 H2O C3409 53.233 45.197 36.128 0.00 0.00 -ATOM 10227 H2 H2O C3409 54.302 45.096 37.359 0.00 0.00 -ATOM 10228 O1 H2O C3410 36.340 33.483 46.679 0.00 0.00 -ATOM 10229 H1 H2O C3410 37.265 33.627 46.330 0.00 0.00 -ATOM 10230 H2 H2O C3410 36.346 32.732 47.340 0.00 0.00 -ATOM 10231 O1 H2O C3411 17.953 39.493 17.709 0.00 0.00 -ATOM 10232 H1 H2O C3411 18.286 38.552 17.761 0.00 0.00 -ATOM 10233 H2 H2O C3411 18.399 39.963 16.947 0.00 0.00 -ATOM 10234 O1 H2O C3412 1.518 35.482 43.200 0.00 0.00 -ATOM 10235 H1 H2O C3412 0.861 35.834 42.532 0.00 0.00 -ATOM 10236 H2 H2O C3412 2.444 35.564 42.832 0.00 0.00 -ATOM 10237 O1 H2O C3413 10.005 55.506 4.161 0.00 0.00 -ATOM 10238 H1 H2O C3413 10.912 55.086 4.124 0.00 0.00 -ATOM 10239 H2 H2O C3413 9.314 54.795 4.283 0.00 0.00 -ATOM 10240 O1 H2O C3414 43.748 31.771 7.070 0.00 0.00 -ATOM 10241 H1 H2O C3414 44.616 31.336 7.309 0.00 0.00 -ATOM 10242 H2 H2O C3414 43.304 31.249 6.341 0.00 0.00 -ATOM 10243 O1 H2O C3415 26.292 45.993 15.977 0.00 0.00 -ATOM 10244 H1 H2O C3415 26.953 46.738 15.895 0.00 0.00 -ATOM 10245 H2 H2O C3415 26.768 45.116 15.916 0.00 0.00 -ATOM 10246 O1 H2O C3416 30.439 29.839 29.725 0.00 0.00 -ATOM 10247 H1 H2O C3416 30.496 29.718 28.734 0.00 0.00 -ATOM 10248 H2 H2O C3416 31.326 30.138 30.076 0.00 0.00 -ATOM 10249 O1 H2O C3417 6.637 16.625 13.435 0.00 0.00 -ATOM 10250 H1 H2O C3417 5.638 16.615 13.450 0.00 0.00 -ATOM 10251 H2 H2O C3417 6.980 17.042 14.277 0.00 0.00 -ATOM 10252 O1 H2O C3418 49.141 38.001 26.410 0.00 0.00 -ATOM 10253 H1 H2O C3418 48.731 37.501 27.173 0.00 0.00 -ATOM 10254 H2 H2O C3418 48.509 38.001 25.635 0.00 0.00 -ATOM 10255 O1 H2O C3419 4.760 35.673 28.148 0.00 0.00 -ATOM 10256 H1 H2O C3419 4.331 35.318 27.318 0.00 0.00 -ATOM 10257 H2 H2O C3419 4.432 36.601 28.322 0.00 0.00 -ATOM 10258 O1 H2O C3420 25.462 41.624 11.397 0.00 0.00 -ATOM 10259 H1 H2O C3420 24.998 42.477 11.157 0.00 0.00 -ATOM 10260 H2 H2O C3420 25.034 41.228 12.209 0.00 0.00 -ATOM 10261 O1 H2O C3421 13.042 46.768 13.286 0.00 0.00 -ATOM 10262 H1 H2O C3421 12.368 46.336 12.687 0.00 0.00 -ATOM 10263 H2 H2O C3421 12.637 46.922 14.187 0.00 0.00 -ATOM 10264 O1 H2O C3422 57.201 53.665 29.916 0.00 0.00 -ATOM 10265 H1 H2O C3422 56.543 52.921 30.031 0.00 0.00 -ATOM 10266 H2 H2O C3422 58.118 53.337 30.143 0.00 0.00 -ATOM 10267 O1 H2O C3423 1.735 49.475 15.152 0.00 0.00 -ATOM 10268 H1 H2O C3423 1.715 49.431 16.150 0.00 0.00 -ATOM 10269 H2 H2O C3423 1.061 48.840 14.776 0.00 0.00 -ATOM 10270 O1 H2O C3424 24.784 35.894 29.792 0.00 0.00 -ATOM 10271 H1 H2O C3424 24.120 36.435 29.275 0.00 0.00 -ATOM 10272 H2 H2O C3424 24.421 35.704 30.704 0.00 0.00 -ATOM 10273 O1 H2O C3425 44.342 18.881 59.184 0.00 0.00 -ATOM 10274 H1 H2O C3425 44.530 19.810 59.503 0.00 0.00 -ATOM 10275 H2 H2O C3425 43.355 18.720 59.187 0.00 0.00 -ATOM 10276 O1 H2O C3426 1.115 33.818 50.260 0.00 0.00 -ATOM 10277 H1 H2O C3426 1.789 34.541 50.112 0.00 0.00 -ATOM 10278 H2 H2O C3426 1.125 33.188 49.484 0.00 0.00 -ATOM 10279 O1 H2O C3427 16.273 34.499 33.494 0.00 0.00 -ATOM 10280 H1 H2O C3427 17.012 33.843 33.647 0.00 0.00 -ATOM 10281 H2 H2O C3427 15.965 34.865 34.372 0.00 0.00 -ATOM 10282 O1 H2O C3428 1.012 51.576 35.253 0.00 0.00 -ATOM 10283 H1 H2O C3428 0.506 51.025 35.918 0.00 0.00 -ATOM 10284 H2 H2O C3428 1.052 52.524 35.568 0.00 0.00 -ATOM 10285 O1 H2O C3429 8.919 35.822 6.497 0.00 0.00 -ATOM 10286 H1 H2O C3429 9.057 35.338 5.633 0.00 0.00 -ATOM 10287 H2 H2O C3429 8.083 35.492 6.934 0.00 0.00 -ATOM 10288 O1 H2O C3430 7.082 39.959 25.681 0.00 0.00 -ATOM 10289 H1 H2O C3430 6.967 40.896 25.352 0.00 0.00 -ATOM 10290 H2 H2O C3430 7.953 39.880 26.166 0.00 0.00 -ATOM 10291 O1 H2O C3431 2.317 48.671 32.143 0.00 0.00 -ATOM 10292 H1 H2O C3431 1.960 49.483 31.682 0.00 0.00 -ATOM 10293 H2 H2O C3431 2.653 48.924 33.051 0.00 0.00 -ATOM 10294 O1 H2O C3432 42.897 24.768 3.561 0.00 0.00 -ATOM 10295 H1 H2O C3432 42.601 23.860 3.263 0.00 0.00 -ATOM 10296 H2 H2O C3432 42.195 25.441 3.330 0.00 0.00 -ATOM 10297 O1 H2O C3433 5.852 7.190 44.239 0.00 0.00 -ATOM 10298 H1 H2O C3433 6.137 7.027 45.184 0.00 0.00 -ATOM 10299 H2 H2O C3433 5.667 8.164 44.111 0.00 0.00 -ATOM 10300 O1 H2O C3434 35.554 39.072 19.447 0.00 0.00 -ATOM 10301 H1 H2O C3434 35.692 38.621 18.565 0.00 0.00 -ATOM 10302 H2 H2O C3434 36.356 39.629 19.666 0.00 0.00 -ATOM 10303 O1 H2O C3435 30.582 12.091 31.733 0.00 0.00 -ATOM 10304 H1 H2O C3435 30.528 12.936 32.266 0.00 0.00 -ATOM 10305 H2 H2O C3435 31.267 12.196 31.013 0.00 0.00 -ATOM 10306 O1 H2O C3436 22.811 7.535 26.506 0.00 0.00 -ATOM 10307 H1 H2O C3436 23.625 7.056 26.836 0.00 0.00 -ATOM 10308 H2 H2O C3436 23.088 8.335 25.974 0.00 0.00 -ATOM 10309 O1 H2O C3437 37.379 20.855 56.813 0.00 0.00 -ATOM 10310 H1 H2O C3437 38.302 20.673 56.475 0.00 0.00 -ATOM 10311 H2 H2O C3437 36.852 20.005 56.820 0.00 0.00 -ATOM 10312 O1 H2O C3438 17.346 26.453 11.408 0.00 0.00 -ATOM 10313 H1 H2O C3438 16.481 26.820 11.066 0.00 0.00 -ATOM 10314 H2 H2O C3438 17.217 26.109 12.338 0.00 0.00 -ATOM 10315 O1 H2O C3439 6.409 46.643 8.530 0.00 0.00 -ATOM 10316 H1 H2O C3439 6.931 46.232 7.783 0.00 0.00 -ATOM 10317 H2 H2O C3439 6.886 47.458 8.861 0.00 0.00 -ATOM 10318 O1 H2O C3440 22.325 32.288 32.735 0.00 0.00 -ATOM 10319 H1 H2O C3440 22.310 33.017 32.051 0.00 0.00 -ATOM 10320 H2 H2O C3440 22.579 31.425 32.297 0.00 0.00 -ATOM 10321 O1 H2O C3441 32.433 38.262 50.860 0.00 0.00 -ATOM 10322 H1 H2O C3441 31.556 37.953 51.230 0.00 0.00 -ATOM 10323 H2 H2O C3441 32.641 39.174 51.214 0.00 0.00 -ATOM 10324 O1 H2O C3442 32.993 40.907 1.360 0.00 0.00 -ATOM 10325 H1 H2O C3442 33.221 39.950 1.174 0.00 0.00 -ATOM 10326 H2 H2O C3442 32.429 41.265 0.615 0.00 0.00 -ATOM 10327 O1 H2O C3443 9.964 34.053 51.083 0.00 0.00 -ATOM 10328 H1 H2O C3443 9.519 33.376 50.497 0.00 0.00 -ATOM 10329 H2 H2O C3443 9.278 34.690 51.436 0.00 0.00 -ATOM 10330 O1 H2O C3444 19.896 48.792 32.582 0.00 0.00 -ATOM 10331 H1 H2O C3444 19.411 48.005 32.964 0.00 0.00 -ATOM 10332 H2 H2O C3444 19.393 49.630 32.796 0.00 0.00 -ATOM 10333 O1 H2O C3445 44.817 0.612 21.984 0.00 0.00 -ATOM 10334 H1 H2O C3445 45.202 -0.309 21.926 0.00 0.00 -ATOM 10335 H2 H2O C3445 44.735 0.997 21.065 0.00 0.00 -ATOM 10336 O1 H2O C3446 48.612 12.884 11.632 0.00 0.00 -ATOM 10337 H1 H2O C3446 48.911 13.552 10.950 0.00 0.00 -ATOM 10338 H2 H2O C3446 48.896 11.968 11.349 0.00 0.00 -ATOM 10339 O1 H2O C3447 38.101 55.571 59.466 0.00 0.00 -ATOM 10340 H1 H2O C3447 37.911 55.966 58.567 0.00 0.00 -ATOM 10341 H2 H2O C3447 39.050 55.258 59.499 0.00 0.00 -ATOM 10342 O1 H2O C3448 37.092 23.385 56.775 0.00 0.00 -ATOM 10343 H1 H2O C3448 36.854 23.852 55.924 0.00 0.00 -ATOM 10344 H2 H2O C3448 37.459 22.478 56.566 0.00 0.00 -ATOM 10345 O1 H2O C3449 30.531 15.317 15.811 0.00 0.00 -ATOM 10346 H1 H2O C3449 31.510 15.113 15.798 0.00 0.00 -ATOM 10347 H2 H2O C3449 30.275 15.660 16.715 0.00 0.00 -ATOM 10348 O1 H2O C3450 42.944 43.676 9.339 0.00 0.00 -ATOM 10349 H1 H2O C3450 43.707 44.066 9.854 0.00 0.00 -ATOM 10350 H2 H2O C3450 42.645 44.328 8.642 0.00 0.00 -ATOM 10351 O1 H2O C3451 59.515 25.851 4.249 0.00 0.00 -ATOM 10352 H1 H2O C3451 59.572 25.682 3.265 0.00 0.00 -ATOM 10353 H2 H2O C3451 60.173 25.268 4.726 0.00 0.00 -ATOM 10354 O1 H2O C3452 13.931 19.328 39.213 0.00 0.00 -ATOM 10355 H1 H2O C3452 13.428 20.118 38.861 0.00 0.00 -ATOM 10356 H2 H2O C3452 14.794 19.235 38.717 0.00 0.00 -ATOM 10357 O1 H2O C3453 23.033 45.521 26.382 0.00 0.00 -ATOM 10358 H1 H2O C3453 23.236 46.498 26.449 0.00 0.00 -ATOM 10359 H2 H2O C3453 23.796 45.052 25.937 0.00 0.00 -ATOM 10360 O1 H2O C3454 47.521 9.228 43.483 0.00 0.00 -ATOM 10361 H1 H2O C3454 47.451 10.062 42.936 0.00 0.00 -ATOM 10362 H2 H2O C3454 48.471 8.915 43.492 0.00 0.00 -ATOM 10363 O1 H2O C3455 12.709 14.234 7.799 0.00 0.00 -ATOM 10364 H1 H2O C3455 11.777 14.420 7.489 0.00 0.00 -ATOM 10365 H2 H2O C3455 13.359 14.545 7.106 0.00 0.00 -ATOM 10366 O1 H2O C3456 32.442 24.044 52.545 0.00 0.00 -ATOM 10367 H1 H2O C3456 32.883 23.609 53.330 0.00 0.00 -ATOM 10368 H2 H2O C3456 31.780 23.411 52.142 0.00 0.00 -ATOM 10369 O1 H2O C3457 4.351 19.879 59.219 0.00 0.00 -ATOM 10370 H1 H2O C3457 3.547 19.299 59.083 0.00 0.00 -ATOM 10371 H2 H2O C3457 4.891 19.903 58.378 0.00 0.00 -ATOM 10372 O1 H2O C3458 32.068 51.874 31.252 0.00 0.00 -ATOM 10373 H1 H2O C3458 31.624 51.040 30.923 0.00 0.00 -ATOM 10374 H2 H2O C3458 32.987 51.656 31.579 0.00 0.00 -ATOM 10375 O1 H2O C3459 27.628 43.579 4.869 0.00 0.00 -ATOM 10376 H1 H2O C3459 27.116 44.259 4.345 0.00 0.00 -ATOM 10377 H2 H2O C3459 28.451 44.001 5.250 0.00 0.00 -ATOM 10378 O1 H2O C3460 8.520 25.675 6.238 0.00 0.00 -ATOM 10379 H1 H2O C3460 8.572 25.957 5.280 0.00 0.00 -ATOM 10380 H2 H2O C3460 7.977 26.340 6.752 0.00 0.00 -ATOM 10381 O1 H2O C3461 46.152 10.787 40.964 0.00 0.00 -ATOM 10382 H1 H2O C3461 46.110 11.472 41.690 0.00 0.00 -ATOM 10383 H2 H2O C3461 45.225 10.547 40.677 0.00 0.00 -ATOM 10384 O1 H2O C3462 34.352 3.479 26.406 0.00 0.00 -ATOM 10385 H1 H2O C3462 34.606 2.562 26.714 0.00 0.00 -ATOM 10386 H2 H2O C3462 34.428 3.529 25.410 0.00 0.00 -ATOM 10387 O1 H2O C3463 50.238 32.958 5.735 0.00 0.00 -ATOM 10388 H1 H2O C3463 50.449 33.875 5.398 0.00 0.00 -ATOM 10389 H2 H2O C3463 50.480 32.283 5.038 0.00 0.00 -ATOM 10390 O1 H2O C3464 12.000 33.025 0.149 0.00 0.00 -ATOM 10391 H1 H2O C3464 12.326 32.162 -0.238 0.00 0.00 -ATOM 10392 H2 H2O C3464 12.592 33.294 0.908 0.00 0.00 -ATOM 10393 O1 H2O C3465 13.650 11.915 49.167 0.00 0.00 -ATOM 10394 H1 H2O C3465 13.624 11.063 48.644 0.00 0.00 -ATOM 10395 H2 H2O C3465 13.673 12.692 48.537 0.00 0.00 -ATOM 10396 O1 H2O C3466 56.804 37.230 45.798 0.00 0.00 -ATOM 10397 H1 H2O C3466 56.121 37.054 45.089 0.00 0.00 -ATOM 10398 H2 H2O C3466 57.710 36.979 45.457 0.00 0.00 -ATOM 10399 O1 H2O C3467 58.786 11.007 2.923 0.00 0.00 -ATOM 10400 H1 H2O C3467 59.579 10.848 3.511 0.00 0.00 -ATOM 10401 H2 H2O C3467 59.070 11.516 2.110 0.00 0.00 -ATOM 10402 O1 H2O C3468 52.013 37.457 49.004 0.00 0.00 -ATOM 10403 H1 H2O C3468 52.932 37.839 49.103 0.00 0.00 -ATOM 10404 H2 H2O C3468 51.646 37.700 48.106 0.00 0.00 -ATOM 10405 O1 H2O C3469 23.850 36.230 29.828 0.00 0.00 -ATOM 10406 H1 H2O C3469 22.915 36.408 29.519 0.00 0.00 -ATOM 10407 H2 H2O C3469 24.447 36.116 29.035 0.00 0.00 -ATOM 10408 O1 H2O C3470 56.945 28.072 49.379 0.00 0.00 -ATOM 10409 H1 H2O C3470 57.375 27.463 48.712 0.00 0.00 -ATOM 10410 H2 H2O C3470 57.205 29.017 49.184 0.00 0.00 -ATOM 10411 O1 H2O C3471 48.130 9.192 29.311 0.00 0.00 -ATOM 10412 H1 H2O C3471 49.008 9.462 28.916 0.00 0.00 -ATOM 10413 H2 H2O C3471 47.613 10.010 29.564 0.00 0.00 -ATOM 10414 O1 H2O C3472 4.708 1.993 6.848 0.00 0.00 -ATOM 10415 H1 H2O C3472 5.056 1.846 5.922 0.00 0.00 -ATOM 10416 H2 H2O C3472 3.996 1.319 7.047 0.00 0.00 -ATOM 10417 O1 H2O C3473 36.769 5.319 3.406 0.00 0.00 -ATOM 10418 H1 H2O C3473 36.004 5.460 2.778 0.00 0.00 -ATOM 10419 H2 H2O C3473 36.488 5.565 4.334 0.00 0.00 -ATOM 10420 O1 H2O C3474 46.500 7.598 10.971 0.00 0.00 -ATOM 10421 H1 H2O C3474 46.327 6.654 11.254 0.00 0.00 -ATOM 10422 H2 H2O C3474 46.080 8.224 11.628 0.00 0.00 -ATOM 10423 O1 H2O C3475 29.623 5.364 42.314 0.00 0.00 -ATOM 10424 H1 H2O C3475 29.518 5.202 41.333 0.00 0.00 -ATOM 10425 H2 H2O C3475 30.304 6.080 42.463 0.00 0.00 -ATOM 10426 O1 H2O C3476 11.791 59.232 20.092 0.00 0.00 -ATOM 10427 H1 H2O C3476 12.456 58.519 19.868 0.00 0.00 -ATOM 10428 H2 H2O C3476 11.859 59.973 19.424 0.00 0.00 -ATOM 10429 O1 H2O C3477 50.593 2.508 45.266 0.00 0.00 -ATOM 10430 H1 H2O C3477 50.566 1.527 45.070 0.00 0.00 -ATOM 10431 H2 H2O C3477 51.229 2.956 44.637 0.00 0.00 -ATOM 10432 O1 H2O C3478 3.368 22.508 37.947 0.00 0.00 -ATOM 10433 H1 H2O C3478 2.439 22.867 38.039 0.00 0.00 -ATOM 10434 H2 H2O C3478 3.795 22.890 37.128 0.00 0.00 -ATOM 10435 O1 H2O C3479 26.622 54.629 45.474 0.00 0.00 -ATOM 10436 H1 H2O C3479 27.092 54.906 44.636 0.00 0.00 -ATOM 10437 H2 H2O C3479 26.340 53.672 45.397 0.00 0.00 -ATOM 10438 O1 H2O C3480 4.161 51.748 8.004 0.00 0.00 -ATOM 10439 H1 H2O C3480 3.507 51.658 7.254 0.00 0.00 -ATOM 10440 H2 H2O C3480 4.974 52.232 7.681 0.00 0.00 -ATOM 10441 O1 H2O C3481 1.090 57.777 12.044 0.00 0.00 -ATOM 10442 H1 H2O C3481 0.278 57.628 12.608 0.00 0.00 -ATOM 10443 H2 H2O C3481 1.791 58.242 12.586 0.00 0.00 -ATOM 10444 O1 H2O C3482 57.785 50.077 22.069 0.00 0.00 -ATOM 10445 H1 H2O C3482 57.799 50.615 21.226 0.00 0.00 -ATOM 10446 H2 H2O C3482 57.057 50.413 22.667 0.00 0.00 -ATOM 10447 O1 H2O C3483 15.314 5.997 1.873 0.00 0.00 -ATOM 10448 H1 H2O C3483 15.363 6.761 1.230 0.00 0.00 -ATOM 10449 H2 H2O C3483 14.414 5.565 1.810 0.00 0.00 -ATOM 10450 O1 H2O C3484 41.330 22.931 29.605 0.00 0.00 -ATOM 10451 H1 H2O C3484 40.448 23.351 29.390 0.00 0.00 -ATOM 10452 H2 H2O C3484 41.388 22.035 29.164 0.00 0.00 -ATOM 10453 O1 H2O C3485 17.897 5.024 31.255 0.00 0.00 -ATOM 10454 H1 H2O C3485 17.640 4.485 32.057 0.00 0.00 -ATOM 10455 H2 H2O C3485 18.069 5.970 31.531 0.00 0.00 -ATOM 10456 O1 H2O C3486 39.929 58.692 30.908 0.00 0.00 -ATOM 10457 H1 H2O C3486 40.059 58.199 30.047 0.00 0.00 -ATOM 10458 H2 H2O C3486 40.277 58.138 31.665 0.00 0.00 -ATOM 10459 O1 H2O C3487 46.116 14.287 34.258 0.00 0.00 -ATOM 10460 H1 H2O C3487 46.558 14.853 34.954 0.00 0.00 -ATOM 10461 H2 H2O C3487 46.214 13.322 34.502 0.00 0.00 -ATOM 10462 O1 H2O C3488 22.455 24.036 39.205 0.00 0.00 -ATOM 10463 H1 H2O C3488 21.951 24.511 38.484 0.00 0.00 -ATOM 10464 H2 H2O C3488 23.410 23.930 38.929 0.00 0.00 -ATOM 10465 O1 H2O C3489 57.415 27.080 4.389 0.00 0.00 -ATOM 10466 H1 H2O C3489 56.801 27.849 4.568 0.00 0.00 -ATOM 10467 H2 H2O C3489 58.361 27.404 4.378 0.00 0.00 -ATOM 10468 O1 H2O C3490 32.030 49.253 7.043 0.00 0.00 -ATOM 10469 H1 H2O C3490 32.821 48.776 7.428 0.00 0.00 -ATOM 10470 H2 H2O C3490 31.495 49.661 7.783 0.00 0.00 -ATOM 10471 O1 H2O C3491 5.170 6.835 23.613 0.00 0.00 -ATOM 10472 H1 H2O C3491 5.270 7.267 22.717 0.00 0.00 -ATOM 10473 H2 H2O C3491 4.316 6.315 23.639 0.00 0.00 -ATOM 10474 O1 H2O C3492 12.383 59.001 49.589 0.00 0.00 -ATOM 10475 H1 H2O C3492 11.444 58.715 49.782 0.00 0.00 -ATOM 10476 H2 H2O C3492 12.698 59.620 50.309 0.00 0.00 -ATOM 10477 O1 H2O C3493 0.864 12.593 20.315 0.00 0.00 -ATOM 10478 H1 H2O C3493 0.458 12.799 21.205 0.00 0.00 -ATOM 10479 H2 H2O C3493 1.077 13.447 19.840 0.00 0.00 -ATOM 10480 O1 H2O C3494 58.928 47.412 37.179 0.00 0.00 -ATOM 10481 H1 H2O C3494 58.356 46.629 36.933 0.00 0.00 -ATOM 10482 H2 H2O C3494 58.729 47.686 38.120 0.00 0.00 -ATOM 10483 O1 H2O C3495 24.167 32.499 13.904 0.00 0.00 -ATOM 10484 H1 H2O C3495 24.500 33.416 14.124 0.00 0.00 -ATOM 10485 H2 H2O C3495 24.845 31.821 14.187 0.00 0.00 -ATOM 10486 O1 H2O C3496 26.665 42.197 27.861 0.00 0.00 -ATOM 10487 H1 H2O C3496 26.469 42.062 28.832 0.00 0.00 -ATOM 10488 H2 H2O C3496 27.374 42.895 27.759 0.00 0.00 -ATOM 10489 O1 H2O C3497 24.350 48.099 41.129 0.00 0.00 -ATOM 10490 H1 H2O C3497 24.726 48.849 40.584 0.00 0.00 -ATOM 10491 H2 H2O C3497 24.000 48.459 41.994 0.00 0.00 -ATOM 10492 O1 H2O C3498 11.134 53.595 57.038 0.00 0.00 -ATOM 10493 H1 H2O C3498 10.588 54.427 57.141 0.00 0.00 -ATOM 10494 H2 H2O C3498 10.898 52.950 57.765 0.00 0.00 -ATOM 10495 O1 H2O C3499 35.681 28.370 56.582 0.00 0.00 -ATOM 10496 H1 H2O C3499 36.621 28.629 56.361 0.00 0.00 -ATOM 10497 H2 H2O C3499 35.648 27.396 56.806 0.00 0.00 -ATOM 10498 O1 H2O C3500 39.821 36.179 55.320 0.00 0.00 -ATOM 10499 H1 H2O C3500 40.645 36.649 55.635 0.00 0.00 -ATOM 10500 H2 H2O C3500 40.078 35.330 54.857 0.00 0.00 -ATOM 10501 O1 H2O C3501 0.740 36.818 57.627 0.00 0.00 -ATOM 10502 H1 H2O C3501 1.226 36.490 56.817 0.00 0.00 -ATOM 10503 H2 H2O C3501 -0.164 37.153 57.360 0.00 0.00 -ATOM 10504 O1 H2O C3502 52.269 41.103 16.498 0.00 0.00 -ATOM 10505 H1 H2O C3502 52.777 40.885 17.331 0.00 0.00 -ATOM 10506 H2 H2O C3502 52.415 42.064 16.260 0.00 0.00 -ATOM 10507 O1 H2O C3503 6.590 32.284 17.933 0.00 0.00 -ATOM 10508 H1 H2O C3503 6.796 33.255 18.060 0.00 0.00 -ATOM 10509 H2 H2O C3503 6.622 32.061 16.959 0.00 0.00 -ATOM 10510 O1 H2O C3504 31.420 59.187 35.998 0.00 0.00 -ATOM 10511 H1 H2O C3504 31.706 59.065 36.949 0.00 0.00 -ATOM 10512 H2 H2O C3504 32.227 59.293 35.418 0.00 0.00 -ATOM 10513 O1 H2O C3505 26.304 30.797 48.934 0.00 0.00 -ATOM 10514 H1 H2O C3505 25.705 30.450 49.655 0.00 0.00 -ATOM 10515 H2 H2O C3505 25.832 30.745 48.054 0.00 0.00 -ATOM 10516 O1 H2O C3506 6.643 15.674 4.760 0.00 0.00 -ATOM 10517 H1 H2O C3506 7.224 15.035 4.257 0.00 0.00 -ATOM 10518 H2 H2O C3506 5.699 15.343 4.751 0.00 0.00 -ATOM 10519 O1 H2O C3507 18.713 40.945 59.297 0.00 0.00 -ATOM 10520 H1 H2O C3507 17.877 40.415 59.153 0.00 0.00 -ATOM 10521 H2 H2O C3507 19.131 41.153 58.413 0.00 0.00 -ATOM 10522 O1 H2O C3508 46.533 44.347 45.847 0.00 0.00 -ATOM 10523 H1 H2O C3508 45.798 43.891 46.348 0.00 0.00 -ATOM 10524 H2 H2O C3508 46.502 44.073 44.886 0.00 0.00 -ATOM 10525 O1 H2O C3509 7.189 18.843 21.868 0.00 0.00 -ATOM 10526 H1 H2O C3509 7.464 19.378 22.667 0.00 0.00 -ATOM 10527 H2 H2O C3509 6.216 18.989 21.688 0.00 0.00 -ATOM 10528 O1 H2O C3510 11.347 26.097 39.346 0.00 0.00 -ATOM 10529 H1 H2O C3510 11.637 26.470 40.227 0.00 0.00 -ATOM 10530 H2 H2O C3510 11.199 25.112 39.434 0.00 0.00 -ATOM 10531 O1 H2O C3511 50.273 52.331 26.506 0.00 0.00 -ATOM 10532 H1 H2O C3511 51.088 52.403 27.081 0.00 0.00 -ATOM 10533 H2 H2O C3511 49.492 52.733 26.983 0.00 0.00 -ATOM 10534 O1 H2O C3512 8.093 27.834 40.441 0.00 0.00 -ATOM 10535 H1 H2O C3512 8.514 27.129 39.870 0.00 0.00 -ATOM 10536 H2 H2O C3512 8.344 28.738 40.094 0.00 0.00 -ATOM 10537 O1 H2O C3513 50.250 59.016 43.722 0.00 0.00 -ATOM 10538 H1 H2O C3513 49.532 59.711 43.770 0.00 0.00 -ATOM 10539 H2 H2O C3513 50.164 58.394 44.500 0.00 0.00 -ATOM 10540 O1 H2O C3514 23.539 35.702 9.305 0.00 0.00 -ATOM 10541 H1 H2O C3514 22.781 36.023 9.873 0.00 0.00 -ATOM 10542 H2 H2O C3514 24.260 36.395 9.289 0.00 0.00 -ATOM 10543 O1 H2O C3515 9.623 47.604 38.985 0.00 0.00 -ATOM 10544 H1 H2O C3515 9.056 47.275 39.740 0.00 0.00 -ATOM 10545 H2 H2O C3515 9.905 48.546 39.167 0.00 0.00 -ATOM 10546 O1 H2O C3516 14.181 33.404 9.054 0.00 0.00 -ATOM 10547 H1 H2O C3516 13.656 34.131 8.610 0.00 0.00 -ATOM 10548 H2 H2O C3516 14.055 32.548 8.552 0.00 0.00 -ATOM 10549 O1 H2O C3517 42.126 5.322 60.310 0.00 0.00 -ATOM 10550 H1 H2O C3517 42.595 6.205 60.313 0.00 0.00 -ATOM 10551 H2 H2O C3517 41.894 5.070 59.371 0.00 0.00 -ATOM 10552 O1 H2O C3518 49.617 17.640 19.805 0.00 0.00 -ATOM 10553 H1 H2O C3518 48.926 17.054 20.227 0.00 0.00 -ATOM 10554 H2 H2O C3518 50.098 18.153 20.516 0.00 0.00 -ATOM 10555 O1 H2O C3519 55.088 4.569 48.013 0.00 0.00 -ATOM 10556 H1 H2O C3519 55.440 4.171 47.165 0.00 0.00 -ATOM 10557 H2 H2O C3519 54.221 4.131 48.251 0.00 0.00 -ATOM 10558 O1 H2O C3520 46.341 37.392 25.274 0.00 0.00 -ATOM 10559 H1 H2O C3520 45.526 37.460 25.849 0.00 0.00 -ATOM 10560 H2 H2O C3520 46.316 36.534 24.760 0.00 0.00 -ATOM 10561 O1 H2O C3521 34.690 42.675 10.452 0.00 0.00 -ATOM 10562 H1 H2O C3521 34.811 42.103 11.263 0.00 0.00 -ATOM 10563 H2 H2O C3521 34.981 43.610 10.657 0.00 0.00 -ATOM 10564 O1 H2O C3522 5.013 32.905 32.430 0.00 0.00 -ATOM 10565 H1 H2O C3522 5.853 33.446 32.478 0.00 0.00 -ATOM 10566 H2 H2O C3522 4.222 33.508 32.534 0.00 0.00 -ATOM 10567 O1 H2O C3523 10.469 42.727 53.248 0.00 0.00 -ATOM 10568 H1 H2O C3523 10.080 43.601 53.538 0.00 0.00 -ATOM 10569 H2 H2O C3523 11.231 42.485 53.849 0.00 0.00 -ATOM 10570 O1 H2O C3524 50.747 12.489 0.414 0.00 0.00 -ATOM 10571 H1 H2O C3524 51.571 13.044 0.524 0.00 0.00 -ATOM 10572 H2 H2O C3524 49.990 12.913 0.912 0.00 0.00 -ATOM 10573 O1 H2O C3525 42.754 4.083 30.218 0.00 0.00 -ATOM 10574 H1 H2O C3525 43.126 4.726 29.548 0.00 0.00 -ATOM 10575 H2 H2O C3525 43.365 3.296 30.299 0.00 0.00 -ATOM 10576 O1 H2O C3526 12.469 16.261 13.244 0.00 0.00 -ATOM 10577 H1 H2O C3526 11.879 16.469 14.026 0.00 0.00 -ATOM 10578 H2 H2O C3526 12.943 17.094 12.955 0.00 0.00 -ATOM 10579 O1 H2O C3527 57.422 4.339 23.050 0.00 0.00 -ATOM 10580 H1 H2O C3527 57.813 3.427 22.920 0.00 0.00 -ATOM 10581 H2 H2O C3527 57.002 4.646 22.195 0.00 0.00 -ATOM 10582 O1 H2O C3528 17.997 9.449 42.877 0.00 0.00 -ATOM 10583 H1 H2O C3528 18.678 9.933 43.427 0.00 0.00 -ATOM 10584 H2 H2O C3528 18.443 9.035 42.083 0.00 0.00 -ATOM 10585 O1 H2O C3529 35.094 33.550 5.636 0.00 0.00 -ATOM 10586 H1 H2O C3529 35.801 34.258 5.620 0.00 0.00 -ATOM 10587 H2 H2O C3529 34.992 33.162 4.720 0.00 0.00 -ATOM 10588 O1 H2O C3530 31.519 27.059 45.567 0.00 0.00 -ATOM 10589 H1 H2O C3530 32.411 27.509 45.607 0.00 0.00 -ATOM 10590 H2 H2O C3530 31.122 27.022 46.484 0.00 0.00 -ATOM 10591 O1 H2O C3531 57.284 27.024 56.817 0.00 0.00 -ATOM 10592 H1 H2O C3531 57.812 26.582 57.542 0.00 0.00 -ATOM 10593 H2 H2O C3531 57.859 27.135 56.007 0.00 0.00 -ATOM 10594 O1 H2O C3532 44.092 8.528 39.229 0.00 0.00 -ATOM 10595 H1 H2O C3532 43.931 8.178 38.307 0.00 0.00 -ATOM 10596 H2 H2O C3532 43.668 9.429 39.322 0.00 0.00 -ATOM 10597 O1 H2O C3533 29.317 13.427 30.853 0.00 0.00 -ATOM 10598 H1 H2O C3533 29.870 12.770 30.340 0.00 0.00 -ATOM 10599 H2 H2O C3533 29.166 13.084 31.780 0.00 0.00 -ATOM 10600 O1 H2O C3534 47.989 17.779 43.506 0.00 0.00 -ATOM 10601 H1 H2O C3534 47.723 16.928 43.958 0.00 0.00 -ATOM 10602 H2 H2O C3534 48.289 18.442 44.192 0.00 0.00 -ATOM 10603 O1 H2O C3535 43.606 50.284 8.175 0.00 0.00 -ATOM 10604 H1 H2O C3535 42.687 50.516 8.494 0.00 0.00 -ATOM 10605 H2 H2O C3535 44.055 49.698 8.850 0.00 0.00 -ATOM 10606 O1 H2O C3536 55.619 8.002 30.793 0.00 0.00 -ATOM 10607 H1 H2O C3536 55.242 8.918 30.657 0.00 0.00 -ATOM 10608 H2 H2O C3536 56.381 7.858 30.161 0.00 0.00 -ATOM 10609 O1 H2O C3537 40.165 45.980 17.714 0.00 0.00 -ATOM 10610 H1 H2O C3537 40.257 45.121 18.218 0.00 0.00 -ATOM 10611 H2 H2O C3537 40.336 46.749 18.330 0.00 0.00 -ATOM 10612 O1 H2O C3538 16.313 47.487 11.449 0.00 0.00 -ATOM 10613 H1 H2O C3538 15.329 47.396 11.605 0.00 0.00 -ATOM 10614 H2 H2O C3538 16.510 47.357 10.477 0.00 0.00 -ATOM 10615 O1 H2O C3539 28.321 24.874 54.315 0.00 0.00 -ATOM 10616 H1 H2O C3539 27.972 25.807 54.234 0.00 0.00 -ATOM 10617 H2 H2O C3539 28.908 24.669 53.532 0.00 0.00 -ATOM 10618 O1 H2O C3540 11.771 5.346 31.973 0.00 0.00 -ATOM 10619 H1 H2O C3540 12.266 6.215 31.949 0.00 0.00 -ATOM 10620 H2 H2O C3540 10.803 5.508 31.780 0.00 0.00 -ATOM 10621 O1 H2O C3541 6.745 47.599 4.820 0.00 0.00 -ATOM 10622 H1 H2O C3541 6.545 46.789 4.269 0.00 0.00 -ATOM 10623 H2 H2O C3541 7.699 47.867 4.686 0.00 0.00 -ATOM 10624 O1 H2O C3542 51.127 39.410 20.593 0.00 0.00 -ATOM 10625 H1 H2O C3542 50.394 38.899 21.041 0.00 0.00 -ATOM 10626 H2 H2O C3542 50.742 39.975 19.863 0.00 0.00 -ATOM 10627 O1 H2O C3543 3.963 49.618 4.596 0.00 0.00 -ATOM 10628 H1 H2O C3543 4.131 50.507 5.021 0.00 0.00 -ATOM 10629 H2 H2O C3543 4.495 48.916 5.070 0.00 0.00 -ATOM 10630 O1 H2O C3544 5.063 38.606 23.655 0.00 0.00 -ATOM 10631 H1 H2O C3544 4.725 39.052 24.484 0.00 0.00 -ATOM 10632 H2 H2O C3544 5.564 37.777 23.904 0.00 0.00 -ATOM 10633 O1 H2O C3545 33.507 10.606 51.651 0.00 0.00 -ATOM 10634 H1 H2O C3545 34.384 11.015 51.902 0.00 0.00 -ATOM 10635 H2 H2O C3545 33.585 10.174 50.753 0.00 0.00 -ATOM 10636 O1 H2O C3546 59.560 35.141 35.587 0.00 0.00 -ATOM 10637 H1 H2O C3546 60.500 35.473 35.503 0.00 0.00 -ATOM 10638 H2 H2O C3546 59.568 34.201 35.928 0.00 0.00 -ATOM 10639 O1 H2O C3547 25.763 16.377 57.758 0.00 0.00 -ATOM 10640 H1 H2O C3547 24.952 15.820 57.579 0.00 0.00 -ATOM 10641 H2 H2O C3547 25.871 17.052 57.028 0.00 0.00 -ATOM 10642 O1 H2O C3548 0.486 34.467 25.219 0.00 0.00 -ATOM 10643 H1 H2O C3548 1.117 35.134 25.615 0.00 0.00 -ATOM 10644 H2 H2O C3548 -0.061 34.053 25.947 0.00 0.00 -ATOM 10645 O1 H2O C3549 44.237 26.205 11.063 0.00 0.00 -ATOM 10646 H1 H2O C3549 44.853 26.774 11.609 0.00 0.00 -ATOM 10647 H2 H2O C3549 44.772 25.655 10.422 0.00 0.00 -ATOM 10648 O1 H2O C3550 52.722 57.939 37.071 0.00 0.00 -ATOM 10649 H1 H2O C3550 52.655 58.926 36.926 0.00 0.00 -ATOM 10650 H2 H2O C3550 52.549 57.731 38.034 0.00 0.00 -ATOM 10651 O1 H2O C3551 11.423 -0.223 32.407 0.00 0.00 -ATOM 10652 H1 H2O C3551 10.852 0.227 33.093 0.00 0.00 -ATOM 10653 H2 H2O C3551 11.468 0.344 31.585 0.00 0.00 -ATOM 10654 O1 H2O C3552 55.964 19.862 45.878 0.00 0.00 -ATOM 10655 H1 H2O C3552 55.512 20.148 45.033 0.00 0.00 -ATOM 10656 H2 H2O C3552 56.917 20.165 45.866 0.00 0.00 -ATOM 10657 O1 H2O C3553 39.340 13.212 53.881 0.00 0.00 -ATOM 10658 H1 H2O C3553 39.724 13.502 54.757 0.00 0.00 -ATOM 10659 H2 H2O C3553 38.377 13.475 53.835 0.00 0.00 -ATOM 10660 O1 H2O C3554 30.564 43.383 49.534 0.00 0.00 -ATOM 10661 H1 H2O C3554 30.159 43.967 48.831 0.00 0.00 -ATOM 10662 H2 H2O C3554 31.082 42.647 49.098 0.00 0.00 -ATOM 10663 O1 H2O C3555 52.675 46.129 24.547 0.00 0.00 -ATOM 10664 H1 H2O C3555 53.646 46.281 24.731 0.00 0.00 -ATOM 10665 H2 H2O C3555 52.564 45.286 24.020 0.00 0.00 -ATOM 10666 O1 H2O C3556 16.333 15.622 60.351 0.00 0.00 -ATOM 10667 H1 H2O C3556 15.738 15.915 59.602 0.00 0.00 -ATOM 10668 H2 H2O C3556 16.926 14.881 60.035 0.00 0.00 -ATOM 10669 O1 H2O C3557 54.977 27.559 27.576 0.00 0.00 -ATOM 10670 H1 H2O C3557 55.757 27.830 28.140 0.00 0.00 -ATOM 10671 H2 H2O C3557 54.304 27.086 28.145 0.00 0.00 -ATOM 10672 O1 H2O C3558 0.153 59.371 -0.188 0.00 0.00 -ATOM 10673 H1 H2O C3558 -0.622 59.589 0.406 0.00 0.00 -ATOM 10674 H2 H2O C3558 0.990 59.751 0.205 0.00 0.00 -ATOM 10675 O1 H2O C3559 13.540 14.166 15.061 0.00 0.00 -ATOM 10676 H1 H2O C3559 14.315 13.655 14.689 0.00 0.00 -ATOM 10677 H2 H2O C3559 13.395 14.994 14.519 0.00 0.00 -ATOM 10678 O1 H2O C3560 56.677 32.674 21.809 0.00 0.00 -ATOM 10679 H1 H2O C3560 57.398 32.653 21.117 0.00 0.00 -ATOM 10680 H2 H2O C3560 56.244 33.576 21.812 0.00 0.00 -ATOM 10681 O1 H2O C3561 20.685 38.220 6.425 0.00 0.00 -ATOM 10682 H1 H2O C3561 20.515 39.184 6.220 0.00 0.00 -ATOM 10683 H2 H2O C3561 20.187 37.647 5.774 0.00 0.00 -ATOM 10684 O1 H2O C3562 17.589 41.699 50.845 0.00 0.00 -ATOM 10685 H1 H2O C3562 17.961 42.572 51.159 0.00 0.00 -ATOM 10686 H2 H2O C3562 18.009 40.952 51.361 0.00 0.00 -ATOM 10687 O1 H2O C3563 10.688 22.418 39.998 0.00 0.00 -ATOM 10688 H1 H2O C3563 9.689 22.387 40.047 0.00 0.00 -ATOM 10689 H2 H2O C3563 11.019 21.648 39.453 0.00 0.00 -ATOM 10690 O1 H2O C3564 11.713 51.953 34.129 0.00 0.00 -ATOM 10691 H1 H2O C3564 11.777 51.411 34.967 0.00 0.00 -ATOM 10692 H2 H2O C3564 10.782 51.900 33.768 0.00 0.00 -ATOM 10693 O1 H2O C3565 13.203 56.121 5.524 0.00 0.00 -ATOM 10694 H1 H2O C3565 13.974 56.278 6.141 0.00 0.00 -ATOM 10695 H2 H2O C3565 13.517 55.616 4.720 0.00 0.00 -ATOM 10696 O1 H2O C3566 41.550 5.859 16.306 0.00 0.00 -ATOM 10697 H1 H2O C3566 41.403 5.761 15.321 0.00 0.00 -ATOM 10698 H2 H2O C3566 41.794 4.972 16.696 0.00 0.00 -ATOM 10699 O1 H2O C3567 6.532 0.722 20.538 0.00 0.00 -ATOM 10700 H1 H2O C3567 7.100 -0.079 20.728 0.00 0.00 -ATOM 10701 H2 H2O C3567 7.118 1.504 20.328 0.00 0.00 -ATOM 10702 O1 H2O C3568 23.329 24.324 23.611 0.00 0.00 -ATOM 10703 H1 H2O C3568 22.913 25.041 23.052 0.00 0.00 -ATOM 10704 H2 H2O C3568 24.241 24.615 23.900 0.00 0.00 -ATOM 10705 O1 H2O C3569 59.541 3.453 43.676 0.00 0.00 -ATOM 10706 H1 H2O C3569 59.004 2.712 44.079 0.00 0.00 -ATOM 10707 H2 H2O C3569 60.103 3.091 42.932 0.00 0.00 -ATOM 10708 O1 H2O C3570 10.386 38.875 29.846 0.00 0.00 -ATOM 10709 H1 H2O C3570 11.323 38.659 29.572 0.00 0.00 -ATOM 10710 H2 H2O C3570 10.312 39.853 30.040 0.00 0.00 -ATOM 10711 O1 H2O C3571 31.527 55.624 41.142 0.00 0.00 -ATOM 10712 H1 H2O C3571 30.954 56.239 41.684 0.00 0.00 -ATOM 10713 H2 H2O C3571 32.384 56.085 40.910 0.00 0.00 -ATOM 10714 O1 H2O C3572 31.463 41.742 38.766 0.00 0.00 -ATOM 10715 H1 H2O C3572 32.383 41.932 39.107 0.00 0.00 -ATOM 10716 H2 H2O C3572 31.146 42.514 38.214 0.00 0.00 -ATOM 10717 O1 H2O C3573 16.580 52.181 13.082 0.00 0.00 -ATOM 10718 H1 H2O C3573 15.825 51.526 13.118 0.00 0.00 -ATOM 10719 H2 H2O C3573 16.620 52.592 12.171 0.00 0.00 -ATOM 10720 O1 H2O C3574 7.329 27.468 30.901 0.00 0.00 -ATOM 10721 H1 H2O C3574 6.841 26.805 30.333 0.00 0.00 -ATOM 10722 H2 H2O C3574 8.228 27.652 30.503 0.00 0.00 -ATOM 10723 O1 H2O C3575 24.480 50.641 57.085 0.00 0.00 -ATOM 10724 H1 H2O C3575 25.385 50.748 57.498 0.00 0.00 -ATOM 10725 H2 H2O C3575 24.445 49.780 56.578 0.00 0.00 -ATOM 10726 O1 H2O C3576 40.194 51.282 54.317 0.00 0.00 -ATOM 10727 H1 H2O C3576 41.095 51.367 54.744 0.00 0.00 -ATOM 10728 H2 H2O C3576 39.608 50.706 54.886 0.00 0.00 -ATOM 10729 O1 H2O C3577 39.940 25.748 16.568 0.00 0.00 -ATOM 10730 H1 H2O C3577 40.741 25.183 16.369 0.00 0.00 -ATOM 10731 H2 H2O C3577 40.231 26.592 17.020 0.00 0.00 -ATOM 10732 O1 H2O C3578 21.758 21.558 37.566 0.00 0.00 -ATOM 10733 H1 H2O C3578 22.482 20.935 37.271 0.00 0.00 -ATOM 10734 H2 H2O C3578 21.013 21.543 36.899 0.00 0.00 -ATOM 10735 O1 H2O C3579 58.558 51.232 33.461 0.00 0.00 -ATOM 10736 H1 H2O C3579 58.848 50.776 34.302 0.00 0.00 -ATOM 10737 H2 H2O C3579 59.203 51.964 33.240 0.00 0.00 -ATOM 10738 O1 H2O C3580 47.128 12.448 15.438 0.00 0.00 -ATOM 10739 H1 H2O C3580 47.571 11.574 15.238 0.00 0.00 -ATOM 10740 H2 H2O C3580 46.598 12.367 16.282 0.00 0.00 -ATOM 10741 O1 H2O C3581 24.374 1.399 11.009 0.00 0.00 -ATOM 10742 H1 H2O C3581 24.579 1.277 11.980 0.00 0.00 -ATOM 10743 H2 H2O C3581 24.231 2.370 10.818 0.00 0.00 -ATOM 10744 O1 H2O C3582 0.712 32.029 49.538 0.00 0.00 -ATOM 10745 H1 H2O C3582 -0.154 32.397 49.878 0.00 0.00 -ATOM 10746 H2 H2O C3582 0.629 31.040 49.417 0.00 0.00 -ATOM 10747 O1 H2O C3583 7.982 49.443 59.709 0.00 0.00 -ATOM 10748 H1 H2O C3583 7.896 49.381 58.715 0.00 0.00 -ATOM 10749 H2 H2O C3583 8.652 48.773 60.028 0.00 0.00 -ATOM 10750 O1 H2O C3584 59.725 12.558 43.716 0.00 0.00 -ATOM 10751 H1 H2O C3584 59.934 12.173 42.817 0.00 0.00 -ATOM 10752 H2 H2O C3584 60.082 11.954 44.428 0.00 0.00 -ATOM 10753 O1 H2O C3585 1.226 21.296 15.807 0.00 0.00 -ATOM 10754 H1 H2O C3585 0.746 20.421 15.750 0.00 0.00 -ATOM 10755 H2 H2O C3585 2.164 21.142 16.120 0.00 0.00 -ATOM 10756 O1 H2O C3586 15.126 15.228 42.964 0.00 0.00 -ATOM 10757 H1 H2O C3586 14.955 16.057 42.431 0.00 0.00 -ATOM 10758 H2 H2O C3586 15.578 15.472 43.822 0.00 0.00 -ATOM 10759 O1 H2O C3587 23.271 27.910 43.705 0.00 0.00 -ATOM 10760 H1 H2O C3587 23.548 27.688 42.771 0.00 0.00 -ATOM 10761 H2 H2O C3587 23.735 27.297 44.345 0.00 0.00 -ATOM 10762 O1 H2O C3588 2.564 48.595 34.478 0.00 0.00 -ATOM 10763 H1 H2O C3588 2.589 47.705 34.022 0.00 0.00 -ATOM 10764 H2 H2O C3588 1.654 48.746 34.864 0.00 0.00 -ATOM 10765 O1 H2O C3589 17.975 29.998 14.560 0.00 0.00 -ATOM 10766 H1 H2O C3589 18.796 29.430 14.614 0.00 0.00 -ATOM 10767 H2 H2O C3589 17.777 30.384 15.461 0.00 0.00 -ATOM 10768 O1 H2O C3590 46.698 11.087 55.423 0.00 0.00 -ATOM 10769 H1 H2O C3590 47.502 11.601 55.125 0.00 0.00 -ATOM 10770 H2 H2O C3590 46.232 10.706 54.624 0.00 0.00 -ATOM 10771 O1 H2O C3591 54.830 59.437 23.508 0.00 0.00 -ATOM 10772 H1 H2O C3591 53.925 59.643 23.136 0.00 0.00 -ATOM 10773 H2 H2O C3591 55.454 60.192 23.305 0.00 0.00 -ATOM 10774 O1 H2O C3592 9.426 11.723 53.796 0.00 0.00 -ATOM 10775 H1 H2O C3592 9.441 12.075 52.860 0.00 0.00 -ATOM 10776 H2 H2O C3592 8.995 10.820 53.806 0.00 0.00 -ATOM 10777 O1 H2O C3593 9.869 10.560 10.855 0.00 0.00 -ATOM 10778 H1 H2O C3593 10.365 9.865 11.374 0.00 0.00 -ATOM 10779 H2 H2O C3593 8.946 10.659 11.227 0.00 0.00 -ATOM 10780 O1 H2O C3594 17.933 54.654 29.670 0.00 0.00 -ATOM 10781 H1 H2O C3594 18.438 54.038 30.274 0.00 0.00 -ATOM 10782 H2 H2O C3594 17.999 55.590 30.017 0.00 0.00 -ATOM 10783 O1 H2O C3595 42.515 54.936 54.708 0.00 0.00 -ATOM 10784 H1 H2O C3595 42.755 54.495 55.574 0.00 0.00 -ATOM 10785 H2 H2O C3595 41.583 54.681 54.452 0.00 0.00 -ATOM 10786 O1 H2O C3596 11.005 53.575 12.164 0.00 0.00 -ATOM 10787 H1 H2O C3596 11.987 53.507 12.339 0.00 0.00 -ATOM 10788 H2 H2O C3596 10.508 53.015 12.827 0.00 0.00 -ATOM 10789 O1 H2O C3597 47.129 3.489 3.917 0.00 0.00 -ATOM 10790 H1 H2O C3597 46.361 3.930 4.380 0.00 0.00 -ATOM 10791 H2 H2O C3597 47.826 4.174 3.702 0.00 0.00 -ATOM 10792 O1 H2O C3598 24.120 20.147 38.660 0.00 0.00 -ATOM 10793 H1 H2O C3598 23.352 20.702 38.341 0.00 0.00 -ATOM 10794 H2 H2O C3598 24.465 20.520 39.522 0.00 0.00 -ATOM 10795 O1 H2O C3599 56.250 34.789 54.444 0.00 0.00 -ATOM 10796 H1 H2O C3599 56.887 34.647 55.202 0.00 0.00 -ATOM 10797 H2 H2O C3599 56.720 34.619 53.577 0.00 0.00 -ATOM 10798 O1 H2O C3600 42.166 19.206 43.026 0.00 0.00 -ATOM 10799 H1 H2O C3600 42.752 19.887 42.587 0.00 0.00 -ATOM 10800 H2 H2O C3600 41.686 18.678 42.326 0.00 0.00 -ATOM 10801 O1 H2O C3601 31.384 55.583 10.589 0.00 0.00 -ATOM 10802 H1 H2O C3601 32.105 56.263 10.452 0.00 0.00 -ATOM 10803 H2 H2O C3601 30.939 55.743 11.470 0.00 0.00 -ATOM 10804 O1 H2O C3602 19.174 20.468 20.780 0.00 0.00 -ATOM 10805 H1 H2O C3602 19.232 21.048 21.593 0.00 0.00 -ATOM 10806 H2 H2O C3602 19.694 19.628 20.932 0.00 0.00 -ATOM 10807 O1 H2O C3603 56.037 45.499 26.438 0.00 0.00 -ATOM 10808 H1 H2O C3603 56.061 46.166 27.182 0.00 0.00 -ATOM 10809 H2 H2O C3603 55.239 44.906 26.548 0.00 0.00 -ATOM 10810 O1 H2O C3604 52.241 25.043 36.043 0.00 0.00 -ATOM 10811 H1 H2O C3604 51.727 25.212 35.202 0.00 0.00 -ATOM 10812 H2 H2O C3604 51.702 24.460 36.651 0.00 0.00 -ATOM 10813 O1 H2O C3605 9.709 8.564 23.642 0.00 0.00 -ATOM 10814 H1 H2O C3605 9.809 7.569 23.644 0.00 0.00 -ATOM 10815 H2 H2O C3605 10.034 8.933 24.513 0.00 0.00 -ATOM 10816 O1 H2O C3606 49.288 38.650 4.202 0.00 0.00 -ATOM 10817 H1 H2O C3606 50.156 38.254 3.901 0.00 0.00 -ATOM 10818 H2 H2O C3606 49.368 38.945 5.153 0.00 0.00 -ATOM 10819 O1 H2O C3607 2.050 43.214 37.216 0.00 0.00 -ATOM 10820 H1 H2O C3607 2.410 43.401 36.302 0.00 0.00 -ATOM 10821 H2 H2O C3607 2.806 43.171 37.869 0.00 0.00 -ATOM 10822 O1 H2O C3608 29.535 7.654 21.239 0.00 0.00 -ATOM 10823 H1 H2O C3608 29.917 7.488 22.148 0.00 0.00 -ATOM 10824 H2 H2O C3608 30.033 7.110 20.564 0.00 0.00 -ATOM 10825 O1 H2O C3609 40.162 34.403 35.525 0.00 0.00 -ATOM 10826 H1 H2O C3609 39.310 34.239 36.023 0.00 0.00 -ATOM 10827 H2 H2O C3609 39.960 34.874 34.666 0.00 0.00 -ATOM 10828 O1 H2O C3610 40.876 7.528 27.754 0.00 0.00 -ATOM 10829 H1 H2O C3610 40.726 6.618 27.367 0.00 0.00 -ATOM 10830 H2 H2O C3610 41.307 8.115 27.068 0.00 0.00 -ATOM 10831 O1 H2O C3611 4.512 19.460 55.249 0.00 0.00 -ATOM 10832 H1 H2O C3611 4.953 20.063 55.913 0.00 0.00 -ATOM 10833 H2 H2O C3611 4.577 19.864 54.337 0.00 0.00 -ATOM 10834 O1 H2O C3612 58.031 27.517 16.243 0.00 0.00 -ATOM 10835 H1 H2O C3612 57.153 27.994 16.271 0.00 0.00 -ATOM 10836 H2 H2O C3612 58.669 28.027 15.666 0.00 0.00 -ATOM 10837 O1 H2O C3613 14.799 21.395 56.943 0.00 0.00 -ATOM 10838 H1 H2O C3613 15.163 20.670 57.528 0.00 0.00 -ATOM 10839 H2 H2O C3613 13.807 21.291 56.861 0.00 0.00 -ATOM 10840 O1 H2O C3614 50.061 44.668 29.335 0.00 0.00 -ATOM 10841 H1 H2O C3614 50.346 45.607 29.527 0.00 0.00 -ATOM 10842 H2 H2O C3614 50.316 44.427 28.399 0.00 0.00 -ATOM 10843 O1 H2O C3615 33.408 8.457 47.048 0.00 0.00 -ATOM 10844 H1 H2O C3615 32.654 8.690 47.662 0.00 0.00 -ATOM 10845 H2 H2O C3615 34.271 8.768 47.447 0.00 0.00 -ATOM 10846 O1 H2O C3616 3.843 2.720 23.493 0.00 0.00 -ATOM 10847 H1 H2O C3616 3.467 2.205 22.722 0.00 0.00 -ATOM 10848 H2 H2O C3616 3.806 3.698 23.291 0.00 0.00 -ATOM 10849 O1 H2O C3617 40.484 32.230 39.906 0.00 0.00 -ATOM 10850 H1 H2O C3617 40.549 33.185 39.619 0.00 0.00 -ATOM 10851 H2 H2O C3617 40.582 31.635 39.108 0.00 0.00 -ATOM 10852 O1 H2O C3618 49.304 19.809 58.443 0.00 0.00 -ATOM 10853 H1 H2O C3618 49.313 19.250 57.615 0.00 0.00 -ATOM 10854 H2 H2O C3618 49.772 19.321 59.180 0.00 0.00 -ATOM 10855 O1 H2O C3619 16.821 -0.246 45.886 0.00 0.00 -ATOM 10856 H1 H2O C3619 16.579 0.345 45.117 0.00 0.00 -ATOM 10857 H2 H2O C3619 16.855 0.296 46.726 0.00 0.00 -ATOM 10858 O1 H2O C3620 38.383 2.344 45.637 0.00 0.00 -ATOM 10859 H1 H2O C3620 37.432 2.036 45.671 0.00 0.00 -ATOM 10860 H2 H2O C3620 38.987 1.593 45.903 0.00 0.00 -ATOM 10861 O1 H2O C3621 58.286 9.243 45.735 0.00 0.00 -ATOM 10862 H1 H2O C3621 57.748 8.817 45.008 0.00 0.00 -ATOM 10863 H2 H2O C3621 58.942 8.580 46.096 0.00 0.00 -ATOM 10864 O1 H2O C3622 0.688 44.213 18.193 0.00 0.00 -ATOM 10865 H1 H2O C3622 1.217 43.446 17.830 0.00 0.00 -ATOM 10866 H2 H2O C3622 0.619 44.130 19.187 0.00 0.00 -ATOM 10867 O1 H2O C3623 50.584 20.297 30.896 0.00 0.00 -ATOM 10868 H1 H2O C3623 49.710 20.552 31.310 0.00 0.00 -ATOM 10869 H2 H2O C3623 50.731 19.314 31.006 0.00 0.00 -ATOM 10870 O1 H2O C3624 10.436 53.022 10.699 0.00 0.00 -ATOM 10871 H1 H2O C3624 10.077 53.488 9.890 0.00 0.00 -ATOM 10872 H2 H2O C3624 10.293 52.037 10.607 0.00 0.00 -ATOM 10873 O1 H2O C3625 6.459 19.730 17.484 0.00 0.00 -ATOM 10874 H1 H2O C3625 7.061 18.942 17.616 0.00 0.00 -ATOM 10875 H2 H2O C3625 6.933 20.563 17.767 0.00 0.00 -ATOM 10876 O1 H2O C3626 15.844 58.658 48.505 0.00 0.00 -ATOM 10877 H1 H2O C3626 15.397 58.605 49.398 0.00 0.00 -ATOM 10878 H2 H2O C3626 15.210 59.048 47.838 0.00 0.00 -ATOM 10879 O1 H2O C3627 10.963 33.127 25.943 0.00 0.00 -ATOM 10880 H1 H2O C3627 11.310 32.651 26.751 0.00 0.00 -ATOM 10881 H2 H2O C3627 11.637 33.798 25.636 0.00 0.00 -ATOM 10882 O1 H2O C3628 12.296 8.812 4.772 0.00 0.00 -ATOM 10883 H1 H2O C3628 11.969 9.417 4.047 0.00 0.00 -ATOM 10884 H2 H2O C3628 11.616 8.099 4.943 0.00 0.00 -ATOM 10885 O1 H2O C3629 50.585 50.254 37.951 0.00 0.00 -ATOM 10886 H1 H2O C3629 49.661 50.293 38.332 0.00 0.00 -ATOM 10887 H2 H2O C3629 50.713 49.382 37.478 0.00 0.00 -ATOM 10888 O1 H2O C3630 23.627 19.437 20.884 0.00 0.00 -ATOM 10889 H1 H2O C3630 22.767 19.418 21.394 0.00 0.00 -ATOM 10890 H2 H2O C3630 23.442 19.296 19.912 0.00 0.00 -ATOM 10891 O1 H2O C3631 53.762 20.380 0.798 0.00 0.00 -ATOM 10892 H1 H2O C3631 52.808 20.418 0.500 0.00 0.00 -ATOM 10893 H2 H2O C3631 54.176 19.526 0.483 0.00 0.00 -ATOM 10894 O1 H2O C3632 55.486 21.862 54.548 0.00 0.00 -ATOM 10895 H1 H2O C3632 56.226 22.029 55.199 0.00 0.00 -ATOM 10896 H2 H2O C3632 55.872 21.629 53.656 0.00 0.00 -ATOM 10897 O1 H2O C3633 19.142 50.696 0.599 0.00 0.00 -ATOM 10898 H1 H2O C3633 19.664 49.864 0.788 0.00 0.00 -ATOM 10899 H2 H2O C3633 18.194 50.454 0.390 0.00 0.00 -ATOM 10900 O1 H2O C3634 31.886 14.112 1.959 0.00 0.00 -ATOM 10901 H1 H2O C3634 32.170 13.704 1.091 0.00 0.00 -ATOM 10902 H2 H2O C3634 32.637 14.054 2.617 0.00 0.00 -ATOM 10903 O1 H2O C3635 17.831 27.814 11.478 0.00 0.00 -ATOM 10904 H1 H2O C3635 17.776 26.866 11.166 0.00 0.00 -ATOM 10905 H2 H2O C3635 18.090 27.833 12.443 0.00 0.00 -ATOM 10906 O1 H2O C3636 36.711 1.388 25.522 0.00 0.00 -ATOM 10907 H1 H2O C3636 36.591 2.329 25.837 0.00 0.00 -ATOM 10908 H2 H2O C3636 37.640 1.082 25.729 0.00 0.00 -ATOM 10909 O1 H2O C3637 16.570 18.565 37.046 0.00 0.00 -ATOM 10910 H1 H2O C3637 17.000 18.448 36.151 0.00 0.00 -ATOM 10911 H2 H2O C3637 16.041 19.414 37.054 0.00 0.00 -ATOM 10912 O1 H2O C3638 15.179 41.679 20.099 0.00 0.00 -ATOM 10913 H1 H2O C3638 15.813 41.515 19.343 0.00 0.00 -ATOM 10914 H2 H2O C3638 15.673 41.626 20.967 0.00 0.00 -ATOM 10915 O1 H2O C3639 34.889 31.616 20.548 0.00 0.00 -ATOM 10916 H1 H2O C3639 35.012 31.009 19.762 0.00 0.00 -ATOM 10917 H2 H2O C3639 34.989 31.091 21.393 0.00 0.00 -ATOM 10918 O1 H2O C3640 43.656 20.067 54.612 0.00 0.00 -ATOM 10919 H1 H2O C3640 44.070 20.255 53.721 0.00 0.00 -ATOM 10920 H2 H2O C3640 44.358 19.737 55.243 0.00 0.00 -ATOM 10921 O1 H2O C3641 29.453 43.575 46.870 0.00 0.00 -ATOM 10922 H1 H2O C3641 29.557 42.630 46.561 0.00 0.00 -ATOM 10923 H2 H2O C3641 29.675 43.635 47.843 0.00 0.00 -ATOM 10924 O1 H2O C3642 12.786 40.485 14.933 0.00 0.00 -ATOM 10925 H1 H2O C3642 12.269 39.630 14.891 0.00 0.00 -ATOM 10926 H2 H2O C3642 12.355 41.102 15.592 0.00 0.00 -ATOM 10927 O1 H2O C3643 11.188 40.134 37.698 0.00 0.00 -ATOM 10928 H1 H2O C3643 11.561 40.581 36.886 0.00 0.00 -ATOM 10929 H2 H2O C3643 10.688 40.804 38.248 0.00 0.00 -ATOM 10930 O1 H2O C3644 32.813 6.689 55.862 0.00 0.00 -ATOM 10931 H1 H2O C3644 33.078 6.933 56.795 0.00 0.00 -ATOM 10932 H2 H2O C3644 32.000 6.108 55.888 0.00 0.00 -ATOM 10933 O1 H2O C3645 42.407 32.263 3.427 0.00 0.00 -ATOM 10934 H1 H2O C3645 42.293 31.764 2.568 0.00 0.00 -ATOM 10935 H2 H2O C3645 41.800 33.057 3.434 0.00 0.00 -ATOM 10936 O1 H2O C3646 24.309 40.764 3.423 0.00 0.00 -ATOM 10937 H1 H2O C3646 23.750 40.262 2.763 0.00 0.00 -ATOM 10938 H2 H2O C3646 23.850 41.618 3.668 0.00 0.00 -ATOM 10939 O1 H2O C3647 32.561 18.703 56.994 0.00 0.00 -ATOM 10940 H1 H2O C3647 33.413 19.179 57.211 0.00 0.00 -ATOM 10941 H2 H2O C3647 31.906 19.352 56.608 0.00 0.00 -ATOM 10942 O1 H2O C3648 2.118 23.875 35.131 0.00 0.00 -ATOM 10943 H1 H2O C3648 1.491 24.059 34.374 0.00 0.00 -ATOM 10944 H2 H2O C3648 2.238 24.705 35.675 0.00 0.00 -ATOM 10945 O1 H2O C3649 44.809 35.672 27.076 0.00 0.00 -ATOM 10946 H1 H2O C3649 45.477 35.539 27.808 0.00 0.00 -ATOM 10947 H2 H2O C3649 44.686 34.814 26.577 0.00 0.00 -ATOM 10948 O1 H2O C3650 57.248 54.106 31.939 0.00 0.00 -ATOM 10949 H1 H2O C3650 56.862 54.173 31.018 0.00 0.00 -ATOM 10950 H2 H2O C3650 58.057 54.691 32.004 0.00 0.00 -ATOM 10951 O1 H2O C3651 54.462 28.424 14.485 0.00 0.00 -ATOM 10952 H1 H2O C3651 54.193 28.767 15.384 0.00 0.00 -ATOM 10953 H2 H2O C3651 54.799 29.182 13.926 0.00 0.00 -ATOM 10954 O1 H2O C3652 24.938 51.127 24.962 0.00 0.00 -ATOM 10955 H1 H2O C3652 24.430 51.209 25.819 0.00 0.00 -ATOM 10956 H2 H2O C3652 24.903 50.179 24.644 0.00 0.00 -ATOM 10957 O1 H2O C3653 42.063 24.656 46.140 0.00 0.00 -ATOM 10958 H1 H2O C3653 42.823 24.187 46.591 0.00 0.00 -ATOM 10959 H2 H2O C3653 41.926 24.268 45.229 0.00 0.00 -ATOM 10960 O1 H2O C3654 59.789 24.644 26.484 0.00 0.00 -ATOM 10961 H1 H2O C3654 60.599 25.186 26.263 0.00 0.00 -ATOM 10962 H2 H2O C3654 59.239 24.515 25.659 0.00 0.00 -ATOM 10963 O1 H2O C3655 11.484 16.506 5.908 0.00 0.00 -ATOM 10964 H1 H2O C3655 11.353 16.319 6.882 0.00 0.00 -ATOM 10965 H2 H2O C3655 12.460 16.612 5.718 0.00 0.00 -ATOM 10966 O1 H2O C3656 38.630 22.741 55.196 0.00 0.00 -ATOM 10967 H1 H2O C3656 38.282 21.937 55.678 0.00 0.00 -ATOM 10968 H2 H2O C3656 38.011 23.513 55.345 0.00 0.00 -ATOM 10969 O1 H2O C3657 24.736 32.172 50.437 0.00 0.00 -ATOM 10970 H1 H2O C3657 23.954 32.790 50.522 0.00 0.00 -ATOM 10971 H2 H2O C3657 24.683 31.467 51.144 0.00 0.00 -ATOM 10972 O1 H2O C3658 15.032 27.890 14.404 0.00 0.00 -ATOM 10973 H1 H2O C3658 15.702 27.149 14.364 0.00 0.00 -ATOM 10974 H2 H2O C3658 15.100 28.353 15.288 0.00 0.00 -ATOM 10975 O1 H2O C3659 51.964 45.775 25.310 0.00 0.00 -ATOM 10976 H1 H2O C3659 52.349 44.852 25.309 0.00 0.00 -ATOM 10977 H2 H2O C3659 51.336 45.873 26.082 0.00 0.00 -ATOM 10978 O1 H2O C3660 15.283 54.369 2.411 0.00 0.00 -ATOM 10979 H1 H2O C3660 15.816 53.694 1.901 0.00 0.00 -ATOM 10980 H2 H2O C3660 14.609 54.790 1.804 0.00 0.00 -ATOM 10981 O1 H2O C3661 58.962 3.530 45.229 0.00 0.00 -ATOM 10982 H1 H2O C3661 58.317 3.653 45.983 0.00 0.00 -ATOM 10983 H2 H2O C3661 59.889 3.726 45.549 0.00 0.00 -ATOM 10984 O1 H2O C3662 6.566 0.960 58.810 0.00 0.00 -ATOM 10985 H1 H2O C3662 6.952 0.102 59.150 0.00 0.00 -ATOM 10986 H2 H2O C3662 6.788 1.700 59.445 0.00 0.00 -ATOM 10987 O1 H2O C3663 28.919 32.637 46.024 0.00 0.00 -ATOM 10988 H1 H2O C3663 28.234 31.971 45.729 0.00 0.00 -ATOM 10989 H2 H2O C3663 29.793 32.173 46.169 0.00 0.00 -ATOM 10990 O1 H2O C3664 14.908 9.345 9.229 0.00 0.00 -ATOM 10991 H1 H2O C3664 15.350 9.303 8.333 0.00 0.00 -ATOM 10992 H2 H2O C3664 14.244 8.602 9.308 0.00 0.00 -ATOM 10993 O1 H2O C3665 26.042 44.466 46.362 0.00 0.00 -ATOM 10994 H1 H2O C3665 26.499 44.638 45.489 0.00 0.00 -ATOM 10995 H2 H2O C3665 26.643 44.738 47.113 0.00 0.00 -ATOM 10996 O1 H2O C3666 17.255 44.421 7.725 0.00 0.00 -ATOM 10997 H1 H2O C3666 17.593 45.043 8.431 0.00 0.00 -ATOM 10998 H2 H2O C3666 18.000 44.190 7.100 0.00 0.00 -ATOM 10999 O1 H2O C3667 22.313 16.067 23.457 0.00 0.00 -ATOM 11000 H1 H2O C3667 22.175 15.377 22.747 0.00 0.00 -ATOM 11001 H2 H2O C3667 21.427 16.426 23.749 0.00 0.00 -ATOM 11002 O1 H2O C3668 7.302 42.440 28.645 0.00 0.00 -ATOM 11003 H1 H2O C3668 8.067 42.869 29.125 0.00 0.00 -ATOM 11004 H2 H2O C3668 7.589 42.185 27.721 0.00 0.00 -ATOM 11005 O1 H2O C3669 54.445 50.745 48.699 0.00 0.00 -ATOM 11006 H1 H2O C3669 55.117 51.356 48.281 0.00 0.00 -ATOM 11007 H2 H2O C3669 54.822 50.365 49.544 0.00 0.00 -ATOM 11008 O1 H2O C3670 46.783 50.567 51.422 0.00 0.00 -ATOM 11009 H1 H2O C3670 46.843 51.533 51.676 0.00 0.00 -ATOM 11010 H2 H2O C3670 46.025 50.438 50.782 0.00 0.00 -ATOM 11011 O1 H2O C3671 22.575 23.359 50.770 0.00 0.00 -ATOM 11012 H1 H2O C3671 22.677 22.548 50.194 0.00 0.00 -ATOM 11013 H2 H2O C3671 21.997 23.139 51.555 0.00 0.00 -ATOM 11014 O1 H2O C3672 58.516 22.601 44.154 0.00 0.00 -ATOM 11015 H1 H2O C3672 58.512 22.498 43.159 0.00 0.00 -ATOM 11016 H2 H2O C3672 58.650 23.564 44.389 0.00 0.00 -ATOM 11017 O1 H2O C3673 29.304 24.439 5.633 0.00 0.00 -ATOM 11018 H1 H2O C3673 30.073 24.013 6.108 0.00 0.00 -ATOM 11019 H2 H2O C3673 28.530 23.806 5.616 0.00 0.00 -ATOM 11020 O1 H2O C3674 55.834 54.417 1.389 0.00 0.00 -ATOM 11021 H1 H2O C3674 55.351 55.136 1.888 0.00 0.00 -ATOM 11022 H2 H2O C3674 55.384 54.260 0.510 0.00 0.00 -ATOM 11023 O1 H2O C3675 30.013 13.111 24.965 0.00 0.00 -ATOM 11024 H1 H2O C3675 29.466 12.617 24.289 0.00 0.00 -ATOM 11025 H2 H2O C3675 30.772 12.532 25.266 0.00 0.00 -ATOM 11026 O1 H2O C3676 37.865 16.362 28.546 0.00 0.00 -ATOM 11027 H1 H2O C3676 37.726 16.461 29.531 0.00 0.00 -ATOM 11028 H2 H2O C3676 37.043 16.663 28.062 0.00 0.00 -ATOM 11029 O1 H2O C3677 3.962 2.707 31.826 0.00 0.00 -ATOM 11030 H1 H2O C3677 4.386 1.813 31.678 0.00 0.00 -ATOM 11031 H2 H2O C3677 2.998 2.584 32.061 0.00 0.00 -ATOM 11032 O1 H2O C3678 47.703 48.634 27.611 0.00 0.00 -ATOM 11033 H1 H2O C3678 47.579 47.973 28.351 0.00 0.00 -ATOM 11034 H2 H2O C3678 48.138 48.183 26.831 0.00 0.00 -ATOM 11035 O1 H2O C3679 40.868 52.991 22.749 0.00 0.00 -ATOM 11036 H1 H2O C3679 40.000 52.547 22.971 0.00 0.00 -ATOM 11037 H2 H2O C3679 41.340 52.465 22.042 0.00 0.00 -ATOM 11038 O1 H2O C3680 50.634 25.409 24.108 0.00 0.00 -ATOM 11039 H1 H2O C3680 49.933 25.645 24.781 0.00 0.00 -ATOM 11040 H2 H2O C3680 51.082 26.243 23.786 0.00 0.00 -ATOM 11041 O1 H2O C3681 1.095 42.873 39.876 0.00 0.00 -ATOM 11042 H1 H2O C3681 1.336 41.945 39.593 0.00 0.00 -ATOM 11043 H2 H2O C3681 0.103 42.991 39.822 0.00 0.00 -ATOM 11044 O1 H2O C3682 41.335 24.326 36.659 0.00 0.00 -ATOM 11045 H1 H2O C3682 41.991 24.035 37.354 0.00 0.00 -ATOM 11046 H2 H2O C3682 41.667 24.060 35.754 0.00 0.00 -ATOM 11047 O1 H2O C3683 25.899 15.819 58.609 0.00 0.00 -ATOM 11048 H1 H2O C3683 26.421 15.058 58.224 0.00 0.00 -ATOM 11049 H2 H2O C3683 26.382 16.186 59.404 0.00 0.00 -ATOM 11050 O1 H2O C3684 -0.056 18.521 48.382 0.00 0.00 -ATOM 11051 H1 H2O C3684 0.378 18.921 49.189 0.00 0.00 -ATOM 11052 H2 H2O C3684 -0.305 17.571 48.573 0.00 0.00 -ATOM 11053 O1 H2O C3685 38.954 29.885 50.399 0.00 0.00 -ATOM 11054 H1 H2O C3685 39.403 29.725 49.520 0.00 0.00 -ATOM 11055 H2 H2O C3685 39.446 30.597 50.900 0.00 0.00 -ATOM 11056 O1 H2O C3686 54.920 56.371 51.884 0.00 0.00 -ATOM 11057 H1 H2O C3686 55.020 56.853 52.754 0.00 0.00 -ATOM 11058 H2 H2O C3686 53.963 56.397 51.596 0.00 0.00 -ATOM 11059 O1 H2O C3687 3.471 39.393 55.556 0.00 0.00 -ATOM 11060 H1 H2O C3687 3.815 39.437 56.494 0.00 0.00 -ATOM 11061 H2 H2O C3687 4.205 39.098 54.945 0.00 0.00 -ATOM 11062 O1 H2O C3688 19.152 33.275 31.505 0.00 0.00 -ATOM 11063 H1 H2O C3688 19.176 32.276 31.543 0.00 0.00 -ATOM 11064 H2 H2O C3688 20.051 33.640 31.750 0.00 0.00 -ATOM 11065 O1 H2O C3689 31.618 55.574 8.396 0.00 0.00 -ATOM 11066 H1 H2O C3689 32.448 56.070 8.649 0.00 0.00 -ATOM 11067 H2 H2O C3689 31.854 54.815 7.790 0.00 0.00 -ATOM 11068 O1 H2O C3690 16.217 8.535 56.637 0.00 0.00 -ATOM 11069 H1 H2O C3690 16.075 8.540 57.627 0.00 0.00 -ATOM 11070 H2 H2O C3690 16.752 9.337 56.373 0.00 0.00 -ATOM 11071 O1 H2O C3691 40.795 0.060 23.635 0.00 0.00 -ATOM 11072 H1 H2O C3691 41.716 -0.125 23.290 0.00 0.00 -ATOM 11073 H2 H2O C3691 40.849 0.698 24.403 0.00 0.00 -ATOM 11074 O1 H2O C3692 26.475 27.978 35.377 0.00 0.00 -ATOM 11075 H1 H2O C3692 26.430 28.887 34.961 0.00 0.00 -ATOM 11076 H2 H2O C3692 27.363 27.858 35.820 0.00 0.00 -ATOM 11077 O1 H2O C3693 6.567 16.360 9.580 0.00 0.00 -ATOM 11078 H1 H2O C3693 5.883 16.127 8.889 0.00 0.00 -ATOM 11079 H2 H2O C3693 6.394 15.832 10.412 0.00 0.00 -ATOM 11080 O1 H2O C3694 6.065 3.928 5.923 0.00 0.00 -ATOM 11081 H1 H2O C3694 6.254 4.775 6.419 0.00 0.00 -ATOM 11082 H2 H2O C3694 5.093 3.889 5.689 0.00 0.00 -ATOM 11083 O1 H2O C3695 13.091 30.427 39.351 0.00 0.00 -ATOM 11084 H1 H2O C3695 13.137 31.404 39.144 0.00 0.00 -ATOM 11085 H2 H2O C3695 13.775 30.201 40.044 0.00 0.00 -ATOM 11086 O1 H2O C3696 0.395 46.091 44.491 0.00 0.00 -ATOM 11087 H1 H2O C3696 0.972 46.612 45.120 0.00 0.00 -ATOM 11088 H2 H2O C3696 0.365 46.555 43.606 0.00 0.00 -ATOM 11089 O1 H2O C3697 57.128 54.542 37.229 0.00 0.00 -ATOM 11090 H1 H2O C3697 57.031 54.864 36.287 0.00 0.00 -ATOM 11091 H2 H2O C3697 56.518 55.065 37.825 0.00 0.00 -ATOM 11092 O1 H2O C3698 27.731 46.801 26.536 0.00 0.00 -ATOM 11093 H1 H2O C3698 26.936 46.685 25.940 0.00 0.00 -ATOM 11094 H2 H2O C3698 28.278 45.964 26.529 0.00 0.00 -ATOM 11095 O1 H2O C3699 5.334 45.337 40.126 0.00 0.00 -ATOM 11096 H1 H2O C3699 6.332 45.340 40.196 0.00 0.00 -ATOM 11097 H2 H2O C3699 5.021 44.420 39.878 0.00 0.00 -ATOM 11098 O1 H2O C3700 6.227 31.505 51.930 0.00 0.00 -ATOM 11099 H1 H2O C3700 6.375 31.703 52.899 0.00 0.00 -ATOM 11100 H2 H2O C3700 5.989 32.349 51.450 0.00 0.00 -ATOM 11101 O1 H2O C3701 10.659 32.117 40.281 0.00 0.00 -ATOM 11102 H1 H2O C3701 10.260 32.792 40.902 0.00 0.00 -ATOM 11103 H2 H2O C3701 10.226 32.192 39.383 0.00 0.00 -ATOM 11104 O1 H2O C3702 1.160 2.183 55.012 0.00 0.00 -ATOM 11105 H1 H2O C3702 0.384 2.801 55.133 0.00 0.00 -ATOM 11106 H2 H2O C3702 1.553 2.316 54.102 0.00 0.00 -ATOM 11107 O1 H2O C3703 21.600 47.011 58.363 0.00 0.00 -ATOM 11108 H1 H2O C3703 21.297 47.224 57.434 0.00 0.00 -ATOM 11109 H2 H2O C3703 22.298 47.669 58.645 0.00 0.00 -ATOM 11110 O1 H2O C3704 23.066 12.137 7.801 0.00 0.00 -ATOM 11111 H1 H2O C3704 23.985 12.421 7.526 0.00 0.00 -ATOM 11112 H2 H2O C3704 22.453 12.183 7.012 0.00 0.00 -ATOM 11113 O1 H2O C3705 0.781 15.363 53.372 0.00 0.00 -ATOM 11114 H1 H2O C3705 0.758 14.395 53.625 0.00 0.00 -ATOM 11115 H2 H2O C3705 0.561 15.921 54.173 0.00 0.00 -ATOM 11116 O1 H2O C3706 11.551 47.986 50.641 0.00 0.00 -ATOM 11117 H1 H2O C3706 12.545 48.084 50.606 0.00 0.00 -ATOM 11118 H2 H2O C3706 11.287 47.571 51.512 0.00 0.00 -ATOM 11119 O1 H2O C3707 46.083 31.388 49.661 0.00 0.00 -ATOM 11120 H1 H2O C3707 45.797 30.457 49.434 0.00 0.00 -ATOM 11121 H2 H2O C3707 46.989 31.364 50.084 0.00 0.00 -ATOM 11122 O1 H2O C3708 14.118 50.605 44.717 0.00 0.00 -ATOM 11123 H1 H2O C3708 14.408 51.051 43.870 0.00 0.00 -ATOM 11124 H2 H2O C3708 13.786 49.685 44.512 0.00 0.00 -ATOM 11125 O1 H2O C3709 24.052 2.342 45.509 0.00 0.00 -ATOM 11126 H1 H2O C3709 24.208 2.364 46.497 0.00 0.00 -ATOM 11127 H2 H2O C3709 23.245 1.785 45.312 0.00 0.00 -ATOM 11128 O1 H2O C3710 2.849 30.606 6.081 0.00 0.00 -ATOM 11129 H1 H2O C3710 2.439 29.818 6.539 0.00 0.00 -ATOM 11130 H2 H2O C3710 2.981 31.345 6.742 0.00 0.00 -ATOM 11131 O1 H2O C3711 1.675 24.846 0.502 0.00 0.00 -ATOM 11132 H1 H2O C3711 0.853 25.023 1.043 0.00 0.00 -ATOM 11133 H2 H2O C3711 2.242 25.669 0.478 0.00 0.00 -ATOM 11134 O1 H2O C3712 54.880 23.929 37.348 0.00 0.00 -ATOM 11135 H1 H2O C3712 55.148 23.100 37.839 0.00 0.00 -ATOM 11136 H2 H2O C3712 55.691 24.357 36.949 0.00 0.00 -ATOM 11137 O1 H2O C3713 11.828 31.043 18.944 0.00 0.00 -ATOM 11138 H1 H2O C3713 12.247 30.135 18.952 0.00 0.00 -ATOM 11139 H2 H2O C3713 10.833 30.951 18.995 0.00 0.00 -ATOM 11140 O1 H2O C3714 43.445 38.738 10.240 0.00 0.00 -ATOM 11141 H1 H2O C3714 42.863 39.054 10.989 0.00 0.00 -ATOM 11142 H2 H2O C3714 43.163 39.182 9.389 0.00 0.00 -ATOM 11143 O1 H2O C3715 2.622 47.465 12.167 0.00 0.00 -ATOM 11144 H1 H2O C3715 2.294 48.407 12.085 0.00 0.00 -ATOM 11145 H2 H2O C3715 1.932 46.911 12.632 0.00 0.00 -ATOM 11146 O1 H2O C3716 8.950 6.350 50.514 0.00 0.00 -ATOM 11147 H1 H2O C3716 8.095 6.868 50.548 0.00 0.00 -ATOM 11148 H2 H2O C3716 8.996 5.839 49.656 0.00 0.00 -ATOM 11149 O1 H2O C3717 30.987 8.263 24.790 0.00 0.00 -ATOM 11150 H1 H2O C3717 31.102 8.073 25.765 0.00 0.00 -ATOM 11151 H2 H2O C3717 31.521 7.607 24.258 0.00 0.00 -ATOM 11152 O1 H2O C3718 24.683 9.450 20.731 0.00 0.00 -ATOM 11153 H1 H2O C3718 25.251 9.275 21.535 0.00 0.00 -ATOM 11154 H2 H2O C3718 23.753 9.126 20.903 0.00 0.00 -ATOM 11155 O1 H2O C3719 32.975 14.823 0.816 0.00 0.00 -ATOM 11156 H1 H2O C3719 33.646 15.456 1.202 0.00 0.00 -ATOM 11157 H2 H2O C3719 32.085 14.978 1.246 0.00 0.00 -ATOM 11158 O1 H2O C3720 58.770 13.968 59.488 0.00 0.00 -ATOM 11159 H1 H2O C3720 57.964 14.240 60.014 0.00 0.00 -ATOM 11160 H2 H2O C3720 58.543 13.181 58.915 0.00 0.00 -ATOM 11161 O1 H2O C3721 36.795 47.154 58.884 0.00 0.00 -ATOM 11162 H1 H2O C3721 37.289 46.375 58.498 0.00 0.00 -ATOM 11163 H2 H2O C3721 36.938 47.958 58.307 0.00 0.00 -ATOM 11164 O1 H2O C3722 32.428 37.346 27.194 0.00 0.00 -ATOM 11165 H1 H2O C3722 33.051 37.332 27.977 0.00 0.00 -ATOM 11166 H2 H2O C3722 31.805 38.124 27.277 0.00 0.00 -ATOM 11167 O1 H2O C3723 7.621 6.519 34.276 0.00 0.00 -ATOM 11168 H1 H2O C3723 6.954 7.250 34.131 0.00 0.00 -ATOM 11169 H2 H2O C3723 7.731 5.996 33.431 0.00 0.00 -ATOM 11170 O1 H2O C3724 29.626 6.747 20.381 0.00 0.00 -ATOM 11171 H1 H2O C3724 30.609 6.815 20.211 0.00 0.00 -ATOM 11172 H2 H2O C3724 29.300 5.846 20.095 0.00 0.00 -ATOM 11173 O1 H2O C3725 25.583 41.421 57.007 0.00 0.00 -ATOM 11174 H1 H2O C3725 26.393 40.986 57.400 0.00 0.00 -ATOM 11175 H2 H2O C3725 25.433 42.306 57.447 0.00 0.00 -ATOM 11176 O1 H2O C3726 25.471 21.284 8.908 0.00 0.00 -ATOM 11177 H1 H2O C3726 25.733 22.004 9.551 0.00 0.00 -ATOM 11178 H2 H2O C3726 26.263 20.704 8.716 0.00 0.00 -ATOM 11179 O1 H2O C3727 57.121 20.082 56.402 0.00 0.00 -ATOM 11180 H1 H2O C3727 57.220 20.391 57.347 0.00 0.00 -ATOM 11181 H2 H2O C3727 56.884 19.111 56.391 0.00 0.00 -ATOM 11182 O1 H2O C3728 48.495 25.276 39.493 0.00 0.00 -ATOM 11183 H1 H2O C3728 48.143 25.053 40.402 0.00 0.00 -ATOM 11184 H2 H2O C3728 49.409 24.885 39.384 0.00 0.00 -ATOM 11185 O1 H2O C3729 16.364 26.110 45.262 0.00 0.00 -ATOM 11186 H1 H2O C3729 16.491 25.873 46.225 0.00 0.00 -ATOM 11187 H2 H2O C3729 17.235 26.021 44.779 0.00 0.00 -ATOM 11188 O1 H2O C3730 17.403 32.079 47.644 0.00 0.00 -ATOM 11189 H1 H2O C3730 16.671 32.057 46.963 0.00 0.00 -ATOM 11190 H2 H2O C3730 18.275 31.866 47.203 0.00 0.00 -ATOM 11191 O1 H2O C3731 20.195 48.279 35.583 0.00 0.00 -ATOM 11192 H1 H2O C3731 20.353 49.167 36.013 0.00 0.00 -ATOM 11193 H2 H2O C3731 19.894 48.414 34.639 0.00 0.00 -ATOM 11194 O1 H2O C3732 32.565 36.515 34.229 0.00 0.00 -ATOM 11195 H1 H2O C3732 32.539 36.812 35.183 0.00 0.00 -ATOM 11196 H2 H2O C3732 32.853 37.278 33.650 0.00 0.00 -ATOM 11197 O1 H2O C3733 59.173 34.236 16.405 0.00 0.00 -ATOM 11198 H1 H2O C3733 59.485 33.292 16.297 0.00 0.00 -ATOM 11199 H2 H2O C3733 59.150 34.470 17.376 0.00 0.00 -ATOM 11200 O1 H2O C3734 7.884 46.846 8.057 0.00 0.00 -ATOM 11201 H1 H2O C3734 8.066 45.864 8.029 0.00 0.00 -ATOM 11202 H2 H2O C3734 6.896 47.002 8.068 0.00 0.00 -ATOM 11203 O1 H2O C3735 0.365 0.431 10.291 0.00 0.00 -ATOM 11204 H1 H2O C3735 1.284 0.820 10.228 0.00 0.00 -ATOM 11205 H2 H2O C3735 -0.136 0.620 9.446 0.00 0.00 -ATOM 11206 O1 H2O C3736 32.651 20.252 49.140 0.00 0.00 -ATOM 11207 H1 H2O C3736 33.276 21.032 49.102 0.00 0.00 -ATOM 11208 H2 H2O C3736 32.142 20.191 48.281 0.00 0.00 -ATOM 11209 O1 H2O C3737 58.902 55.089 47.095 0.00 0.00 -ATOM 11210 H1 H2O C3737 58.181 55.390 47.720 0.00 0.00 -ATOM 11211 H2 H2O C3737 59.768 55.023 47.592 0.00 0.00 -ATOM 11212 O1 H2O C3738 57.062 10.308 31.409 0.00 0.00 -ATOM 11213 H1 H2O C3738 56.828 9.653 30.690 0.00 0.00 -ATOM 11214 H2 H2O C3738 56.837 11.233 31.105 0.00 0.00 -ATOM 11215 O1 H2O C3739 43.049 48.738 9.717 0.00 0.00 -ATOM 11216 H1 H2O C3739 42.588 49.350 9.075 0.00 0.00 -ATOM 11217 H2 H2O C3739 43.979 49.067 9.883 0.00 0.00 -ATOM 11218 O1 H2O C3740 6.150 43.835 58.820 0.00 0.00 -ATOM 11219 H1 H2O C3740 5.715 44.671 58.485 0.00 0.00 -ATOM 11220 H2 H2O C3740 6.994 44.069 59.304 0.00 0.00 -ATOM 11221 O1 H2O C3741 49.221 34.568 5.162 0.00 0.00 -ATOM 11222 H1 H2O C3741 48.812 35.403 5.530 0.00 0.00 -ATOM 11223 H2 H2O C3741 48.547 34.084 4.605 0.00 0.00 -ATOM 11224 O1 H2O C3742 0.286 34.201 42.654 0.00 0.00 -ATOM 11225 H1 H2O C3742 1.011 33.697 43.124 0.00 0.00 -ATOM 11226 H2 H2O C3742 0.214 33.879 41.710 0.00 0.00 -ATOM 11227 O1 H2O C3743 15.082 33.121 11.659 0.00 0.00 -ATOM 11228 H1 H2O C3743 14.774 33.975 11.239 0.00 0.00 -ATOM 11229 H2 H2O C3743 14.687 33.038 12.573 0.00 0.00 -ATOM 11230 O1 H2O C3744 50.889 42.309 55.014 0.00 0.00 -ATOM 11231 H1 H2O C3744 51.716 42.791 55.303 0.00 0.00 -ATOM 11232 H2 H2O C3744 51.051 41.323 55.044 0.00 0.00 -ATOM 11233 O1 H2O C3745 19.589 57.664 39.103 0.00 0.00 -ATOM 11234 H1 H2O C3745 19.742 56.750 38.727 0.00 0.00 -ATOM 11235 H2 H2O C3745 18.986 57.600 39.898 0.00 0.00 -ATOM 11236 O1 H2O C3746 4.369 43.190 25.511 0.00 0.00 -ATOM 11237 H1 H2O C3746 4.591 43.961 24.913 0.00 0.00 -ATOM 11238 H2 H2O C3746 3.593 42.687 25.131 0.00 0.00 -ATOM 11239 O1 H2O C3747 52.589 2.623 54.184 0.00 0.00 -ATOM 11240 H1 H2O C3747 52.408 3.429 54.748 0.00 0.00 -ATOM 11241 H2 H2O C3747 51.723 2.233 53.872 0.00 0.00 -ATOM 11242 O1 H2O C3748 6.783 30.755 8.291 0.00 0.00 -ATOM 11243 H1 H2O C3748 6.025 31.338 7.998 0.00 0.00 -ATOM 11244 H2 H2O C3748 6.656 30.498 9.249 0.00 0.00 -ATOM 11245 O1 H2O C3749 32.395 54.421 27.619 0.00 0.00 -ATOM 11246 H1 H2O C3749 31.569 53.941 27.323 0.00 0.00 -ATOM 11247 H2 H2O C3749 32.138 55.259 28.102 0.00 0.00 -ATOM 11248 O1 H2O C3750 20.618 1.823 29.479 0.00 0.00 -ATOM 11249 H1 H2O C3750 20.390 0.864 29.312 0.00 0.00 -ATOM 11250 H2 H2O C3750 20.736 2.295 28.605 0.00 0.00 -ATOM 11251 O1 H2O C3751 10.815 19.500 13.642 0.00 0.00 -ATOM 11252 H1 H2O C3751 10.906 18.595 13.227 0.00 0.00 -ATOM 11253 H2 H2O C3751 10.308 20.101 13.023 0.00 0.00 -ATOM 11254 O1 H2O C3752 58.341 42.583 52.798 0.00 0.00 -ATOM 11255 H1 H2O C3752 57.435 42.168 52.713 0.00 0.00 -ATOM 11256 H2 H2O C3752 58.251 43.506 53.173 0.00 0.00 -ATOM 11257 O1 H2O C3753 53.872 19.533 54.617 0.00 0.00 -ATOM 11258 H1 H2O C3753 53.026 19.510 54.083 0.00 0.00 -ATOM 11259 H2 H2O C3753 54.522 18.874 54.240 0.00 0.00 -ATOM 11260 O1 H2O C3754 32.596 4.770 11.172 0.00 0.00 -ATOM 11261 H1 H2O C3754 33.324 4.418 11.759 0.00 0.00 -ATOM 11262 H2 H2O C3754 32.954 5.511 10.603 0.00 0.00 -ATOM 11263 O1 H2O C3755 21.840 18.963 45.870 0.00 0.00 -ATOM 11264 H1 H2O C3755 21.605 18.487 45.023 0.00 0.00 -ATOM 11265 H2 H2O C3755 21.553 19.919 45.807 0.00 0.00 -ATOM 11266 O1 H2O C3756 15.696 58.103 30.610 0.00 0.00 -ATOM 11267 H1 H2O C3756 15.851 57.598 29.761 0.00 0.00 -ATOM 11268 H2 H2O C3756 16.556 58.180 31.114 0.00 0.00 -ATOM 11269 O1 H2O C3757 57.623 51.494 21.928 0.00 0.00 -ATOM 11270 H1 H2O C3757 56.938 52.183 22.166 0.00 0.00 -ATOM 11271 H2 H2O C3757 57.974 51.676 21.010 0.00 0.00 -ATOM 11272 O1 H2O C3758 39.690 46.183 12.549 0.00 0.00 -ATOM 11273 H1 H2O C3758 40.654 46.392 12.715 0.00 0.00 -ATOM 11274 H2 H2O C3758 39.355 45.566 13.261 0.00 0.00 -ATOM 11275 O1 H2O C3759 23.564 27.643 59.081 0.00 0.00 -ATOM 11276 H1 H2O C3759 24.319 27.508 59.723 0.00 0.00 -ATOM 11277 H2 H2O C3759 22.892 26.912 59.198 0.00 0.00 -ATOM 11278 O1 H2O C3760 28.949 59.577 19.141 0.00 0.00 -ATOM 11279 H1 H2O C3760 29.906 59.676 18.869 0.00 0.00 -ATOM 11280 H2 H2O C3760 28.680 60.360 19.703 0.00 0.00 -ATOM 11281 O1 H2O C3761 30.675 52.616 40.948 0.00 0.00 -ATOM 11282 H1 H2O C3761 31.581 53.014 41.092 0.00 0.00 -ATOM 11283 H2 H2O C3761 30.239 52.451 41.833 0.00 0.00 -ATOM 11284 O1 H2O C3762 2.867 41.825 1.138 0.00 0.00 -ATOM 11285 H1 H2O C3762 3.065 42.800 1.036 0.00 0.00 -ATOM 11286 H2 H2O C3762 3.127 41.526 2.056 0.00 0.00 -ATOM 11287 O1 H2O C3763 46.961 45.502 5.893 0.00 0.00 -ATOM 11288 H1 H2O C3763 46.421 45.060 5.177 0.00 0.00 -ATOM 11289 H2 H2O C3763 46.362 46.061 6.466 0.00 0.00 -ATOM 11290 O1 H2O C3764 45.853 52.026 49.260 0.00 0.00 -ATOM 11291 H1 H2O C3764 45.079 52.634 49.085 0.00 0.00 -ATOM 11292 H2 H2O C3764 46.314 52.307 50.102 0.00 0.00 -ATOM 11293 O1 H2O C3765 26.515 49.612 22.887 0.00 0.00 -ATOM 11294 H1 H2O C3765 27.310 49.860 23.440 0.00 0.00 -ATOM 11295 H2 H2O C3765 26.504 50.164 22.053 0.00 0.00 -ATOM 11296 O1 H2O C3766 46.154 10.737 9.601 0.00 0.00 -ATOM 11297 H1 H2O C3766 45.850 9.976 10.173 0.00 0.00 -ATOM 11298 H2 H2O C3766 45.843 10.593 8.661 0.00 0.00 -ATOM 11299 O1 H2O C3767 40.495 43.507 41.689 0.00 0.00 -ATOM 11300 H1 H2O C3767 41.406 43.869 41.888 0.00 0.00 -ATOM 11301 H2 H2O C3767 39.810 44.030 42.196 0.00 0.00 -ATOM 11302 O1 H2O C3768 41.373 20.092 20.727 0.00 0.00 -ATOM 11303 H1 H2O C3768 41.014 20.291 21.639 0.00 0.00 -ATOM 11304 H2 H2O C3768 40.651 20.225 20.049 0.00 0.00 -ATOM 11305 O1 H2O C3769 6.068 23.413 16.697 0.00 0.00 -ATOM 11306 H1 H2O C3769 6.401 24.313 16.415 0.00 0.00 -ATOM 11307 H2 H2O C3769 5.953 23.396 17.690 0.00 0.00 -ATOM 11308 O1 H2O C3770 36.409 13.745 39.891 0.00 0.00 -ATOM 11309 H1 H2O C3770 36.654 13.001 40.513 0.00 0.00 -ATOM 11310 H2 H2O C3770 36.498 14.620 40.367 0.00 0.00 -ATOM 11311 O1 H2O C3771 11.795 33.030 14.113 0.00 0.00 -ATOM 11312 H1 H2O C3771 10.866 33.391 14.039 0.00 0.00 -ATOM 11313 H2 H2O C3771 12.348 33.647 14.673 0.00 0.00 -ATOM 11314 O1 H2O C3772 21.729 7.617 21.427 0.00 0.00 -ATOM 11315 H1 H2O C3772 22.309 6.840 21.672 0.00 0.00 -ATOM 11316 H2 H2O C3772 22.156 8.464 21.743 0.00 0.00 -ATOM 11317 O1 H2O C3773 26.133 43.023 45.675 0.00 0.00 -ATOM 11318 H1 H2O C3773 26.604 42.163 45.872 0.00 0.00 -ATOM 11319 H2 H2O C3773 26.098 43.581 46.504 0.00 0.00 -ATOM 11320 O1 H2O C3774 46.743 16.343 32.152 0.00 0.00 -ATOM 11321 H1 H2O C3774 46.417 16.963 31.439 0.00 0.00 -ATOM 11322 H2 H2O C3774 46.658 15.398 31.836 0.00 0.00 -ATOM 11323 O1 H2O C3775 44.094 33.541 11.241 0.00 0.00 -ATOM 11324 H1 H2O C3775 44.896 33.949 11.676 0.00 0.00 -ATOM 11325 H2 H2O C3775 44.103 33.751 10.263 0.00 0.00 -ATOM 11326 O1 H2O C3776 22.680 0.988 18.602 0.00 0.00 -ATOM 11327 H1 H2O C3776 23.496 1.563 18.550 0.00 0.00 -ATOM 11328 H2 H2O C3776 22.940 0.067 18.895 0.00 0.00 -ATOM 11329 O1 H2O C3777 35.110 47.420 35.017 0.00 0.00 -ATOM 11330 H1 H2O C3777 36.040 47.704 35.252 0.00 0.00 -ATOM 11331 H2 H2O C3777 34.453 48.037 35.450 0.00 0.00 -ATOM 11332 O1 H2O C3778 11.143 1.243 37.462 0.00 0.00 -ATOM 11333 H1 H2O C3778 10.268 1.309 36.982 0.00 0.00 -ATOM 11334 H2 H2O C3778 11.828 1.792 36.983 0.00 0.00 -ATOM 11335 O1 H2O C3779 19.883 8.881 3.923 0.00 0.00 -ATOM 11336 H1 H2O C3779 20.748 8.503 3.594 0.00 0.00 -ATOM 11337 H2 H2O C3779 19.133 8.273 3.664 0.00 0.00 -ATOM 11338 O1 H2O C3780 51.720 46.772 11.610 0.00 0.00 -ATOM 11339 H1 H2O C3780 52.194 46.505 12.449 0.00 0.00 -ATOM 11340 H2 H2O C3780 52.300 47.394 11.083 0.00 0.00 -ATOM 11341 O1 H2O C3781 55.132 26.414 13.799 0.00 0.00 -ATOM 11342 H1 H2O C3781 54.728 27.086 13.178 0.00 0.00 -ATOM 11343 H2 H2O C3781 55.724 25.796 13.282 0.00 0.00 -ATOM 11344 O1 H2O C3782 13.975 27.188 2.644 0.00 0.00 -ATOM 11345 H1 H2O C3782 14.294 27.943 2.071 0.00 0.00 -ATOM 11346 H2 H2O C3782 14.488 26.359 2.419 0.00 0.00 -ATOM 11347 O1 H2O C3783 28.504 33.867 46.339 0.00 0.00 -ATOM 11348 H1 H2O C3783 29.328 34.101 46.857 0.00 0.00 -ATOM 11349 H2 H2O C3783 28.330 32.885 46.416 0.00 0.00 -ATOM 11350 O1 H2O C3784 20.730 24.949 38.020 0.00 0.00 -ATOM 11351 H1 H2O C3784 21.467 25.080 38.683 0.00 0.00 -ATOM 11352 H2 H2O C3784 20.191 25.789 37.952 0.00 0.00 -ATOM 11353 O1 H2O C3785 25.615 1.832 9.514 0.00 0.00 -ATOM 11354 H1 H2O C3785 25.154 1.890 8.629 0.00 0.00 -ATOM 11355 H2 H2O C3785 26.326 1.130 9.474 0.00 0.00 -ATOM 11356 O1 H2O C3786 59.543 14.100 22.057 0.00 0.00 -ATOM 11357 H1 H2O C3786 59.311 13.158 21.812 0.00 0.00 -ATOM 11358 H2 H2O C3786 59.800 14.139 23.023 0.00 0.00 -ATOM 11359 O1 H2O C3787 38.575 11.583 29.236 0.00 0.00 -ATOM 11360 H1 H2O C3787 37.949 11.077 29.829 0.00 0.00 -ATOM 11361 H2 H2O C3787 38.866 12.422 29.697 0.00 0.00 -ATOM 11362 O1 H2O C3788 14.589 10.787 9.660 0.00 0.00 -ATOM 11363 H1 H2O C3788 14.376 10.126 10.380 0.00 0.00 -ATOM 11364 H2 H2O C3788 13.757 11.007 9.153 0.00 0.00 -ATOM 11365 O1 H2O C3789 58.852 37.608 11.843 0.00 0.00 -ATOM 11366 H1 H2O C3789 58.827 37.013 12.647 0.00 0.00 -ATOM 11367 H2 H2O C3789 59.672 37.409 11.307 0.00 0.00 -ATOM 11368 O1 H2O C3790 47.778 52.528 44.376 0.00 0.00 -ATOM 11369 H1 H2O C3790 47.481 52.884 45.263 0.00 0.00 -ATOM 11370 H2 H2O C3790 47.385 53.086 43.645 0.00 0.00 -ATOM 11371 O1 H2O C3791 3.702 54.529 50.279 0.00 0.00 -ATOM 11372 H1 H2O C3791 4.507 54.402 49.698 0.00 0.00 -ATOM 11373 H2 H2O C3791 3.740 53.888 51.045 0.00 0.00 -ATOM 11374 O1 H2O C3792 27.525 7.983 44.433 0.00 0.00 -ATOM 11375 H1 H2O C3792 28.292 7.376 44.227 0.00 0.00 -ATOM 11376 H2 H2O C3792 27.026 8.187 43.590 0.00 0.00 -ATOM 11377 O1 H2O C3793 12.521 42.406 39.478 0.00 0.00 -ATOM 11378 H1 H2O C3793 13.158 43.178 39.497 0.00 0.00 -ATOM 11379 H2 H2O C3793 12.984 41.585 39.811 0.00 0.00 -ATOM 11380 O1 H2O C3794 5.916 12.146 47.578 0.00 0.00 -ATOM 11381 H1 H2O C3794 5.314 11.864 48.326 0.00 0.00 -ATOM 11382 H2 H2O C3794 5.700 13.087 47.315 0.00 0.00 -ATOM 11383 O1 H2O C3795 37.766 21.718 50.885 0.00 0.00 -ATOM 11384 H1 H2O C3795 37.047 21.279 51.424 0.00 0.00 -ATOM 11385 H2 H2O C3795 38.416 22.165 51.499 0.00 0.00 -ATOM 11386 O1 H2O C3796 25.379 41.042 48.410 0.00 0.00 -ATOM 11387 H1 H2O C3796 26.196 40.583 48.761 0.00 0.00 -ATOM 11388 H2 H2O C3796 25.209 40.747 47.470 0.00 0.00 -ATOM 11389 O1 H2O C3797 2.748 1.695 35.581 0.00 0.00 -ATOM 11390 H1 H2O C3797 2.302 0.814 35.742 0.00 0.00 -ATOM 11391 H2 H2O C3797 3.384 1.611 34.814 0.00 0.00 -ATOM 11392 O1 H2O C3798 56.666 35.418 46.931 0.00 0.00 -ATOM 11393 H1 H2O C3798 56.119 35.878 47.631 0.00 0.00 -ATOM 11394 H2 H2O C3798 57.398 36.028 46.626 0.00 0.00 -ATOM 11395 O1 H2O C3799 20.694 45.117 22.537 0.00 0.00 -ATOM 11396 H1 H2O C3799 20.886 44.285 22.016 0.00 0.00 -ATOM 11397 H2 H2O C3799 21.178 45.888 22.123 0.00 0.00 -ATOM 11398 O1 H2O C3800 1.832 24.045 15.180 0.00 0.00 -ATOM 11399 H1 H2O C3800 2.248 24.893 14.851 0.00 0.00 -ATOM 11400 H2 H2O C3800 2.524 23.491 15.642 0.00 0.00 -ATOM 11401 O1 H2O C3801 32.892 48.393 10.485 0.00 0.00 -ATOM 11402 H1 H2O C3801 32.121 48.890 10.884 0.00 0.00 -ATOM 11403 H2 H2O C3801 33.535 49.044 10.081 0.00 0.00 -ATOM 11404 O1 H2O C3802 28.568 1.969 18.657 0.00 0.00 -ATOM 11405 H1 H2O C3802 28.159 1.948 17.745 0.00 0.00 -ATOM 11406 H2 H2O C3802 28.750 1.035 18.963 0.00 0.00 -ATOM 11407 O1 H2O C3803 48.174 16.971 20.236 0.00 0.00 -ATOM 11408 H1 H2O C3803 48.741 16.484 19.572 0.00 0.00 -ATOM 11409 H2 H2O C3803 48.416 17.941 20.233 0.00 0.00 -ATOM 11410 O1 H2O C3804 3.418 22.908 27.393 0.00 0.00 -ATOM 11411 H1 H2O C3804 3.366 23.865 27.678 0.00 0.00 -ATOM 11412 H2 H2O C3804 3.713 22.860 26.439 0.00 0.00 -ATOM 11413 O1 H2O C3805 22.088 46.316 5.941 0.00 0.00 -ATOM 11414 H1 H2O C3805 22.867 46.943 5.944 0.00 0.00 -ATOM 11415 H2 H2O C3805 22.266 45.560 6.569 0.00 0.00 -ATOM 11416 O1 H2O C3806 5.662 39.341 46.029 0.00 0.00 -ATOM 11417 H1 H2O C3806 5.731 38.353 46.170 0.00 0.00 -ATOM 11418 H2 H2O C3806 6.320 39.809 46.618 0.00 0.00 -ATOM 11419 O1 H2O C3807 49.631 44.638 11.018 0.00 0.00 -ATOM 11420 H1 H2O C3807 49.726 45.535 10.586 0.00 0.00 -ATOM 11421 H2 H2O C3807 49.345 44.756 11.969 0.00 0.00 -ATOM 11422 O1 H2O C3808 18.108 53.132 20.139 0.00 0.00 -ATOM 11423 H1 H2O C3808 17.980 52.289 19.616 0.00 0.00 -ATOM 11424 H2 H2O C3808 18.520 53.829 19.553 0.00 0.00 -END diff --git a/simulations/equilb_boxes/3x3x2.0nm_3-layer/gomc/u_n_3769/Output_data_merged.psf b/simulations/equilb_boxes/3x3x2.0nm_3-layer/gomc/u_n_3769/Output_data_merged.psf deleted file mode 100644 index 2d16798..0000000 --- a/simulations/equilb_boxes/3x3x2.0nm_3-layer/gomc/u_n_3769/Output_data_merged.psf +++ /dev/null @@ -1,18634 +0,0 @@ -PSF - - 2 !NTITLE - REMARKS Combined PSF produced by GOMC - REMARKS Contains Geometry data for molecules in ALL boxes in the system - - 15009 !NATOM - 1 TOP 1 TOP C1 2 0.000000 12.0108 0 - 2 TOP 1 TOP C2 2 0.000000 12.0108 0 - 3 TOP 1 TOP C3 2 0.000000 12.0108 0 - 4 TOP 1 TOP C4 2 0.000000 12.0108 0 - 5 TOP 1 TOP C5 2 0.000000 12.0108 0 - 6 TOP 1 TOP C6 2 0.000000 12.0108 0 - 7 TOP 1 TOP C7 2 0.000000 12.0108 0 - 8 TOP 1 TOP C8 2 0.000000 12.0108 0 - 9 TOP 1 TOP C9 2 0.000000 12.0108 0 - 10 TOP 1 TOP CA 2 0.000000 12.0108 0 - 11 TOP 1 TOP CB 2 0.000000 12.0108 0 - 12 TOP 1 TOP CC 2 0.000000 12.0108 0 - 13 TOP 1 TOP CD 2 0.000000 12.0108 0 - 14 TOP 1 TOP CE 2 0.000000 12.0108 0 - 15 TOP 1 TOP CF 2 0.000000 12.0108 0 - 16 TOP 1 TOP CG 2 0.000000 12.0108 0 - 17 TOP 1 TOP CH 2 0.000000 12.0108 0 - 18 TOP 1 TOP CI 2 0.000000 12.0108 0 - 19 TOP 1 TOP CJ 2 0.000000 12.0108 0 - 20 TOP 1 TOP CK 2 0.000000 12.0108 0 - 21 TOP 1 TOP CL 2 0.000000 12.0108 0 - 22 TOP 1 TOP CM 2 0.000000 12.0108 0 - 23 TOP 1 TOP CN 2 0.000000 12.0108 0 - 24 TOP 1 TOP CO 2 0.000000 12.0108 0 - 25 TOP 1 TOP CP 2 0.000000 12.0108 0 - 26 TOP 1 TOP CQ 2 0.000000 12.0108 0 - 27 TOP 1 TOP CR 2 0.000000 12.0108 0 - 28 TOP 1 TOP CS 2 0.000000 12.0108 0 - 29 TOP 1 TOP CT 2 0.000000 12.0108 0 - 30 TOP 1 TOP CU 2 0.000000 12.0108 0 - 31 TOP 1 TOP CV 2 0.000000 12.0108 0 - 32 TOP 1 TOP CW 2 0.000000 12.0108 0 - 33 TOP 1 TOP CX 2 0.000000 12.0108 0 - 34 TOP 1 TOP CY 2 0.000000 12.0108 0 - 35 TOP 1 TOP CZ 2 0.000000 12.0108 0 - 36 TOP 1 TOP Ca 2 0.000000 12.0108 0 - 37 TOP 1 TOP Cb 2 0.000000 12.0108 0 - 38 TOP 1 TOP Cc 2 0.000000 12.0108 0 - 39 TOP 1 TOP Cd 2 0.000000 12.0108 0 - 40 TOP 1 TOP Ce 2 0.000000 12.0108 0 - 41 TOP 1 TOP Cf 2 0.000000 12.0108 0 - 42 TOP 1 TOP Cg 2 0.000000 12.0108 0 - 43 TOP 1 TOP Ch 2 0.000000 12.0108 0 - 44 TOP 1 TOP Ci 2 0.000000 12.0108 0 - 45 TOP 1 TOP Cj 2 0.000000 12.0108 0 - 46 TOP 1 TOP Ck 2 0.000000 12.0108 0 - 47 TOP 1 TOP Cl 2 0.000000 12.0108 0 - 48 TOP 1 TOP Cm 2 0.000000 12.0108 0 - 49 TOP 1 TOP Cn 2 0.000000 12.0108 0 - 50 TOP 1 TOP Co 2 0.000000 12.0108 0 - 51 TOP 1 TOP Cp 2 0.000000 12.0108 0 - 52 TOP 1 TOP Cq 2 0.000000 12.0108 0 - 53 TOP 1 TOP Cr 2 0.000000 12.0108 0 - 54 TOP 1 TOP Cs 2 0.000000 12.0108 0 - 55 TOP 1 TOP Ct 2 0.000000 12.0108 0 - 56 TOP 1 TOP Cu 2 0.000000 12.0108 0 - 57 TOP 1 TOP Cv 2 0.000000 12.0108 0 - 58 TOP 1 TOP Cw 2 0.000000 12.0108 0 - 59 TOP 1 TOP Cx 2 0.000000 12.0108 0 - 60 TOP 1 TOP Cy 2 0.000000 12.0108 0 - 61 TOP 1 TOP Cz 2 0.000000 12.0108 0 - 62 TOP 1 TOP C10 2 0.000000 12.0108 0 - 63 TOP 1 TOP C11 2 0.000000 12.0108 0 - 64 TOP 1 TOP C12 2 0.000000 12.0108 0 - 65 TOP 1 TOP C13 2 0.000000 12.0108 0 - 66 TOP 1 TOP C14 2 0.000000 12.0108 0 - 67 TOP 1 TOP C15 2 0.000000 12.0108 0 - 68 TOP 1 TOP C16 2 0.000000 12.0108 0 - 69 TOP 1 TOP C17 2 0.000000 12.0108 0 - 70 TOP 1 TOP C18 2 0.000000 12.0108 0 - 71 TOP 1 TOP C19 2 0.000000 12.0108 0 - 72 TOP 1 TOP C1A 2 0.000000 12.0108 0 - 73 TOP 1 TOP C1B 2 0.000000 12.0108 0 - 74 TOP 1 TOP C1C 2 0.000000 12.0108 0 - 75 TOP 1 TOP C1D 2 0.000000 12.0108 0 - 76 TOP 1 TOP C1E 2 0.000000 12.0108 0 - 77 TOP 1 TOP C1F 2 0.000000 12.0108 0 - 78 TOP 1 TOP C1G 2 0.000000 12.0108 0 - 79 TOP 1 TOP C1H 2 0.000000 12.0108 0 - 80 TOP 1 TOP C1I 2 0.000000 12.0108 0 - 81 TOP 1 TOP C1J 2 0.000000 12.0108 0 - 82 TOP 1 TOP C1K 2 0.000000 12.0108 0 - 83 TOP 1 TOP C1L 2 0.000000 12.0108 0 - 84 TOP 1 TOP C1M 2 0.000000 12.0108 0 - 85 TOP 1 TOP C1N 2 0.000000 12.0108 0 - 86 TOP 1 TOP C1O 2 0.000000 12.0108 0 - 87 TOP 1 TOP C1P 2 0.000000 12.0108 0 - 88 TOP 1 TOP C1Q 2 0.000000 12.0108 0 - 89 TOP 1 TOP C1R 2 0.000000 12.0108 0 - 90 TOP 1 TOP C1S 2 0.000000 12.0108 0 - 91 TOP 1 TOP C1T 2 0.000000 12.0108 0 - 92 TOP 1 TOP C1U 2 0.000000 12.0108 0 - 93 TOP 1 TOP C1V 2 0.000000 12.0108 0 - 94 TOP 1 TOP C1W 2 0.000000 12.0108 0 - 95 TOP 1 TOP C1X 2 0.000000 12.0108 0 - 96 TOP 1 TOP C1Y 2 0.000000 12.0108 0 - 97 TOP 1 TOP C1Z 2 0.000000 12.0108 0 - 98 TOP 1 TOP C1a 2 0.000000 12.0108 0 - 99 TOP 1 TOP C1b 2 0.000000 12.0108 0 - 100 TOP 1 TOP C1c 2 0.000000 12.0108 0 - 101 TOP 1 TOP C1d 2 0.000000 12.0108 0 - 102 TOP 1 TOP C1e 2 0.000000 12.0108 0 - 103 TOP 1 TOP C1f 2 0.000000 12.0108 0 - 104 TOP 1 TOP C1g 2 0.000000 12.0108 0 - 105 TOP 1 TOP C1h 2 0.000000 12.0108 0 - 106 TOP 1 TOP C1i 2 0.000000 12.0108 0 - 107 TOP 1 TOP C1j 2 0.000000 12.0108 0 - 108 TOP 1 TOP C1k 2 0.000000 12.0108 0 - 109 TOP 1 TOP C1l 2 0.000000 12.0108 0 - 110 TOP 1 TOP C1m 2 0.000000 12.0108 0 - 111 TOP 1 TOP C1n 2 0.000000 12.0108 0 - 112 TOP 1 TOP C1o 2 0.000000 12.0108 0 - 113 TOP 1 TOP C1p 2 0.000000 12.0108 0 - 114 TOP 1 TOP C1q 2 0.000000 12.0108 0 - 115 TOP 1 TOP C1r 2 0.000000 12.0108 0 - 116 TOP 1 TOP C1s 2 0.000000 12.0108 0 - 117 TOP 1 TOP C1t 2 0.000000 12.0108 0 - 118 TOP 1 TOP C1u 2 0.000000 12.0108 0 - 119 TOP 1 TOP C1v 2 0.000000 12.0108 0 - 120 TOP 1 TOP C1w 2 0.000000 12.0108 0 - 121 TOP 1 TOP C1x 2 0.000000 12.0108 0 - 122 TOP 1 TOP C1y 2 0.000000 12.0108 0 - 123 TOP 1 TOP C1z 2 0.000000 12.0108 0 - 124 TOP 1 TOP C20 2 0.000000 12.0108 0 - 125 TOP 1 TOP C21 2 0.000000 12.0108 0 - 126 TOP 1 TOP C22 2 0.000000 12.0108 0 - 127 TOP 1 TOP C23 2 0.000000 12.0108 0 - 128 TOP 1 TOP C24 2 0.000000 12.0108 0 - 129 TOP 1 TOP C25 2 0.000000 12.0108 0 - 130 TOP 1 TOP C26 2 0.000000 12.0108 0 - 131 TOP 1 TOP C27 2 0.000000 12.0108 0 - 132 TOP 1 TOP C28 2 0.000000 12.0108 0 - 133 TOP 1 TOP C29 2 0.000000 12.0108 0 - 134 TOP 1 TOP C2A 2 0.000000 12.0108 0 - 135 TOP 1 TOP C2B 2 0.000000 12.0108 0 - 136 TOP 1 TOP C2C 2 0.000000 12.0108 0 - 137 TOP 1 TOP C2D 2 0.000000 12.0108 0 - 138 TOP 1 TOP C2E 2 0.000000 12.0108 0 - 139 TOP 1 TOP C2F 2 0.000000 12.0108 0 - 140 TOP 1 TOP C2G 2 0.000000 12.0108 0 - 141 TOP 1 TOP C2H 2 0.000000 12.0108 0 - 142 TOP 1 TOP C2I 2 0.000000 12.0108 0 - 143 TOP 1 TOP C2J 2 0.000000 12.0108 0 - 144 TOP 1 TOP C2K 2 0.000000 12.0108 0 - 145 TOP 1 TOP C2L 2 0.000000 12.0108 0 - 146 TOP 1 TOP C2M 2 0.000000 12.0108 0 - 147 TOP 1 TOP C2N 2 0.000000 12.0108 0 - 148 TOP 1 TOP C2O 2 0.000000 12.0108 0 - 149 TOP 1 TOP C2P 2 0.000000 12.0108 0 - 150 TOP 1 TOP C2Q 2 0.000000 12.0108 0 - 151 TOP 1 TOP C2R 2 0.000000 12.0108 0 - 152 TOP 1 TOP C2S 2 0.000000 12.0108 0 - 153 TOP 1 TOP C2T 2 0.000000 12.0108 0 - 154 TOP 1 TOP C2U 2 0.000000 12.0108 0 - 155 TOP 1 TOP C2V 2 0.000000 12.0108 0 - 156 TOP 1 TOP C2W 2 0.000000 12.0108 0 - 157 TOP 1 TOP C2X 2 0.000000 12.0108 0 - 158 TOP 1 TOP C2Y 2 0.000000 12.0108 0 - 159 TOP 1 TOP C2Z 2 0.000000 12.0108 0 - 160 TOP 1 TOP C2a 2 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-0.847600 15.9994 0 - 2156 H2O 47 H2O H1 3 0.423800 1.0079 0 - 2157 H2O 47 H2O H2 3 0.423800 1.0079 0 - 2158 H2O 48 H2O O1 4 -0.847600 15.9994 0 - 2159 H2O 48 H2O H1 3 0.423800 1.0079 0 - 2160 H2O 48 H2O H2 3 0.423800 1.0079 0 - 2161 H2O 49 H2O O1 4 -0.847600 15.9994 0 - 2162 H2O 49 H2O H1 3 0.423800 1.0079 0 - 2163 H2O 49 H2O H2 3 0.423800 1.0079 0 - 2164 H2O 50 H2O O1 4 -0.847600 15.9994 0 - 2165 H2O 50 H2O H1 3 0.423800 1.0079 0 - 2166 H2O 50 H2O H2 3 0.423800 1.0079 0 - 2167 H2O 51 H2O O1 4 -0.847600 15.9994 0 - 2168 H2O 51 H2O H1 3 0.423800 1.0079 0 - 2169 H2O 51 H2O H2 3 0.423800 1.0079 0 - 2170 H2O 52 H2O O1 4 -0.847600 15.9994 0 - 2171 H2O 52 H2O H1 3 0.423800 1.0079 0 - 2172 H2O 52 H2O H2 3 0.423800 1.0079 0 - 2173 H2O 53 H2O O1 4 -0.847600 15.9994 0 - 2174 H2O 53 H2O H1 3 0.423800 1.0079 0 - 2175 H2O 53 H2O H2 3 0.423800 1.0079 0 - 2176 H2O 54 H2O O1 4 -0.847600 15.9994 0 - 2177 H2O 54 H2O H1 3 0.423800 1.0079 0 - 2178 H2O 54 H2O H2 3 0.423800 1.0079 0 - 2179 H2O 55 H2O O1 4 -0.847600 15.9994 0 - 2180 H2O 55 H2O H1 3 0.423800 1.0079 0 - 2181 H2O 55 H2O H2 3 0.423800 1.0079 0 - 2182 H2O 56 H2O O1 4 -0.847600 15.9994 0 - 2183 H2O 56 H2O H1 3 0.423800 1.0079 0 - 2184 H2O 56 H2O H2 3 0.423800 1.0079 0 - 2185 H2O 57 H2O O1 4 -0.847600 15.9994 0 - 2186 H2O 57 H2O H1 3 0.423800 1.0079 0 - 2187 H2O 57 H2O H2 3 0.423800 1.0079 0 - 2188 H2O 58 H2O O1 4 -0.847600 15.9994 0 - 2189 H2O 58 H2O H1 3 0.423800 1.0079 0 - 2190 H2O 58 H2O H2 3 0.423800 1.0079 0 - 2191 H2O 59 H2O O1 4 -0.847600 15.9994 0 - 2192 H2O 59 H2O H1 3 0.423800 1.0079 0 - 2193 H2O 59 H2O H2 3 0.423800 1.0079 0 - 2194 H2O 60 H2O O1 4 -0.847600 15.9994 0 - 2195 H2O 60 H2O H1 3 0.423800 1.0079 0 - 2196 H2O 60 H2O H2 3 0.423800 1.0079 0 - 2197 H2O 61 H2O O1 4 -0.847600 15.9994 0 - 2198 H2O 61 H2O H1 3 0.423800 1.0079 0 - 2199 H2O 61 H2O H2 3 0.423800 1.0079 0 - 2200 H2O 62 H2O O1 4 -0.847600 15.9994 0 - 2201 H2O 62 H2O H1 3 0.423800 1.0079 0 - 2202 H2O 62 H2O H2 3 0.423800 1.0079 0 - 2203 H2O 63 H2O O1 4 -0.847600 15.9994 0 - 2204 H2O 63 H2O H1 3 0.423800 1.0079 0 - 2205 H2O 63 H2O H2 3 0.423800 1.0079 0 - 2206 H2O 64 H2O O1 4 -0.847600 15.9994 0 - 2207 H2O 64 H2O H1 3 0.423800 1.0079 0 - 2208 H2O 64 H2O H2 3 0.423800 1.0079 0 - 2209 H2O 65 H2O O1 4 -0.847600 15.9994 0 - 2210 H2O 65 H2O H1 3 0.423800 1.0079 0 - 2211 H2O 65 H2O H2 3 0.423800 1.0079 0 - 2212 H2O 66 H2O O1 4 -0.847600 15.9994 0 - 2213 H2O 66 H2O H1 3 0.423800 1.0079 0 - 2214 H2O 66 H2O H2 3 0.423800 1.0079 0 - 2215 H2O 67 H2O O1 4 -0.847600 15.9994 0 - 2216 H2O 67 H2O H1 3 0.423800 1.0079 0 - 2217 H2O 67 H2O H2 3 0.423800 1.0079 0 - 2218 H2O 68 H2O O1 4 -0.847600 15.9994 0 - 2219 H2O 68 H2O H1 3 0.423800 1.0079 0 - 2220 H2O 68 H2O H2 3 0.423800 1.0079 0 - 2221 H2O 69 H2O O1 4 -0.847600 15.9994 0 - 2222 H2O 69 H2O H1 3 0.423800 1.0079 0 - 2223 H2O 69 H2O H2 3 0.423800 1.0079 0 - 2224 H2O 70 H2O O1 4 -0.847600 15.9994 0 - 2225 H2O 70 H2O H1 3 0.423800 1.0079 0 - 2226 H2O 70 H2O H2 3 0.423800 1.0079 0 - 2227 H2O 71 H2O O1 4 -0.847600 15.9994 0 - 2228 H2O 71 H2O H1 3 0.423800 1.0079 0 - 2229 H2O 71 H2O H2 3 0.423800 1.0079 0 - 2230 H2O 72 H2O O1 4 -0.847600 15.9994 0 - 2231 H2O 72 H2O H1 3 0.423800 1.0079 0 - 2232 H2O 72 H2O H2 3 0.423800 1.0079 0 - 2233 H2O 73 H2O O1 4 -0.847600 15.9994 0 - 2234 H2O 73 H2O H1 3 0.423800 1.0079 0 - 2235 H2O 73 H2O H2 3 0.423800 1.0079 0 - 2236 H2O 74 H2O O1 4 -0.847600 15.9994 0 - 2237 H2O 74 H2O H1 3 0.423800 1.0079 0 - 2238 H2O 74 H2O H2 3 0.423800 1.0079 0 - 2239 H2O 75 H2O O1 4 -0.847600 15.9994 0 - 2240 H2O 75 H2O H1 3 0.423800 1.0079 0 - 2241 H2O 75 H2O H2 3 0.423800 1.0079 0 - 2242 H2O 76 H2O O1 4 -0.847600 15.9994 0 - 2243 H2O 76 H2O H1 3 0.423800 1.0079 0 - 2244 H2O 76 H2O H2 3 0.423800 1.0079 0 - 2245 H2O 77 H2O O1 4 -0.847600 15.9994 0 - 2246 H2O 77 H2O H1 3 0.423800 1.0079 0 - 2247 H2O 77 H2O H2 3 0.423800 1.0079 0 - 2248 H2O 78 H2O O1 4 -0.847600 15.9994 0 - 2249 H2O 78 H2O H1 3 0.423800 1.0079 0 - 2250 H2O 78 H2O H2 3 0.423800 1.0079 0 - 2251 H2O 79 H2O O1 4 -0.847600 15.9994 0 - 2252 H2O 79 H2O H1 3 0.423800 1.0079 0 - 2253 H2O 79 H2O H2 3 0.423800 1.0079 0 - 2254 H2O 80 H2O O1 4 -0.847600 15.9994 0 - 2255 H2O 80 H2O H1 3 0.423800 1.0079 0 - 2256 H2O 80 H2O H2 3 0.423800 1.0079 0 - 2257 H2O 81 H2O O1 4 -0.847600 15.9994 0 - 2258 H2O 81 H2O H1 3 0.423800 1.0079 0 - 2259 H2O 81 H2O H2 3 0.423800 1.0079 0 - 2260 H2O 82 H2O O1 4 -0.847600 15.9994 0 - 2261 H2O 82 H2O H1 3 0.423800 1.0079 0 - 2262 H2O 82 H2O H2 3 0.423800 1.0079 0 - 2263 H2O 83 H2O O1 4 -0.847600 15.9994 0 - 2264 H2O 83 H2O H1 3 0.423800 1.0079 0 - 2265 H2O 83 H2O H2 3 0.423800 1.0079 0 - 2266 H2O 84 H2O O1 4 -0.847600 15.9994 0 - 2267 H2O 84 H2O H1 3 0.423800 1.0079 0 - 2268 H2O 84 H2O H2 3 0.423800 1.0079 0 - 2269 H2O 85 H2O O1 4 -0.847600 15.9994 0 - 2270 H2O 85 H2O H1 3 0.423800 1.0079 0 - 2271 H2O 85 H2O H2 3 0.423800 1.0079 0 - 2272 H2O 86 H2O O1 4 -0.847600 15.9994 0 - 2273 H2O 86 H2O H1 3 0.423800 1.0079 0 - 2274 H2O 86 H2O H2 3 0.423800 1.0079 0 - 2275 H2O 87 H2O O1 4 -0.847600 15.9994 0 - 2276 H2O 87 H2O H1 3 0.423800 1.0079 0 - 2277 H2O 87 H2O H2 3 0.423800 1.0079 0 - 2278 H2O 88 H2O O1 4 -0.847600 15.9994 0 - 2279 H2O 88 H2O H1 3 0.423800 1.0079 0 - 2280 H2O 88 H2O H2 3 0.423800 1.0079 0 - 2281 H2O 89 H2O O1 4 -0.847600 15.9994 0 - 2282 H2O 89 H2O H1 3 0.423800 1.0079 0 - 2283 H2O 89 H2O H2 3 0.423800 1.0079 0 - 2284 H2O 90 H2O O1 4 -0.847600 15.9994 0 - 2285 H2O 90 H2O H1 3 0.423800 1.0079 0 - 2286 H2O 90 H2O H2 3 0.423800 1.0079 0 - 2287 H2O 91 H2O O1 4 -0.847600 15.9994 0 - 2288 H2O 91 H2O H1 3 0.423800 1.0079 0 - 2289 H2O 91 H2O H2 3 0.423800 1.0079 0 - 2290 H2O 92 H2O O1 4 -0.847600 15.9994 0 - 2291 H2O 92 H2O H1 3 0.423800 1.0079 0 - 2292 H2O 92 H2O H2 3 0.423800 1.0079 0 - 2293 H2O 93 H2O O1 4 -0.847600 15.9994 0 - 2294 H2O 93 H2O H1 3 0.423800 1.0079 0 - 2295 H2O 93 H2O H2 3 0.423800 1.0079 0 - 2296 H2O 94 H2O O1 4 -0.847600 15.9994 0 - 2297 H2O 94 H2O H1 3 0.423800 1.0079 0 - 2298 H2O 94 H2O H2 3 0.423800 1.0079 0 - 2299 H2O 95 H2O O1 4 -0.847600 15.9994 0 - 2300 H2O 95 H2O H1 3 0.423800 1.0079 0 - 2301 H2O 95 H2O H2 3 0.423800 1.0079 0 - 2302 H2O 96 H2O O1 4 -0.847600 15.9994 0 - 2303 H2O 96 H2O H1 3 0.423800 1.0079 0 - 2304 H2O 96 H2O H2 3 0.423800 1.0079 0 - 2305 H2O 97 H2O O1 4 -0.847600 15.9994 0 - 2306 H2O 97 H2O H1 3 0.423800 1.0079 0 - 2307 H2O 97 H2O H2 3 0.423800 1.0079 0 - 2308 H2O 98 H2O O1 4 -0.847600 15.9994 0 - 2309 H2O 98 H2O H1 3 0.423800 1.0079 0 - 2310 H2O 98 H2O H2 3 0.423800 1.0079 0 - 2311 H2O 99 H2O O1 4 -0.847600 15.9994 0 - 2312 H2O 99 H2O H1 3 0.423800 1.0079 0 - 2313 H2O 99 H2O H2 3 0.423800 1.0079 0 - 2314 H2O 100 H2O O1 4 -0.847600 15.9994 0 - 2315 H2O 100 H2O H1 3 0.423800 1.0079 0 - 2316 H2O 100 H2O H2 3 0.423800 1.0079 0 - 2317 H2O 101 H2O O1 4 -0.847600 15.9994 0 - 2318 H2O 101 H2O H1 3 0.423800 1.0079 0 - 2319 H2O 101 H2O H2 3 0.423800 1.0079 0 - 2320 H2O 102 H2O O1 4 -0.847600 15.9994 0 - 2321 H2O 102 H2O H1 3 0.423800 1.0079 0 - 2322 H2O 102 H2O H2 3 0.423800 1.0079 0 - 2323 H2O 103 H2O O1 4 -0.847600 15.9994 0 - 2324 H2O 103 H2O H1 3 0.423800 1.0079 0 - 2325 H2O 103 H2O H2 3 0.423800 1.0079 0 - 2326 H2O 104 H2O O1 4 -0.847600 15.9994 0 - 2327 H2O 104 H2O H1 3 0.423800 1.0079 0 - 2328 H2O 104 H2O H2 3 0.423800 1.0079 0 - 2329 H2O 105 H2O O1 4 -0.847600 15.9994 0 - 2330 H2O 105 H2O H1 3 0.423800 1.0079 0 - 2331 H2O 105 H2O H2 3 0.423800 1.0079 0 - 2332 H2O 106 H2O O1 4 -0.847600 15.9994 0 - 2333 H2O 106 H2O H1 3 0.423800 1.0079 0 - 2334 H2O 106 H2O H2 3 0.423800 1.0079 0 - 2335 H2O 107 H2O O1 4 -0.847600 15.9994 0 - 2336 H2O 107 H2O H1 3 0.423800 1.0079 0 - 2337 H2O 107 H2O H2 3 0.423800 1.0079 0 - 2338 H2O 108 H2O O1 4 -0.847600 15.9994 0 - 2339 H2O 108 H2O H1 3 0.423800 1.0079 0 - 2340 H2O 108 H2O H2 3 0.423800 1.0079 0 - 2341 H2O 109 H2O O1 4 -0.847600 15.9994 0 - 2342 H2O 109 H2O H1 3 0.423800 1.0079 0 - 2343 H2O 109 H2O H2 3 0.423800 1.0079 0 - 2344 H2O 110 H2O O1 4 -0.847600 15.9994 0 - 2345 H2O 110 H2O H1 3 0.423800 1.0079 0 - 2346 H2O 110 H2O H2 3 0.423800 1.0079 0 - 2347 H2O 111 H2O O1 4 -0.847600 15.9994 0 - 2348 H2O 111 H2O H1 3 0.423800 1.0079 0 - 2349 H2O 111 H2O H2 3 0.423800 1.0079 0 - 2350 H2O 112 H2O O1 4 -0.847600 15.9994 0 - 2351 H2O 112 H2O H1 3 0.423800 1.0079 0 - 2352 H2O 112 H2O H2 3 0.423800 1.0079 0 - 2353 H2O 113 H2O O1 4 -0.847600 15.9994 0 - 2354 H2O 113 H2O H1 3 0.423800 1.0079 0 - 2355 H2O 113 H2O H2 3 0.423800 1.0079 0 - 2356 H2O 114 H2O O1 4 -0.847600 15.9994 0 - 2357 H2O 114 H2O H1 3 0.423800 1.0079 0 - 2358 H2O 114 H2O H2 3 0.423800 1.0079 0 - 2359 H2O 115 H2O O1 4 -0.847600 15.9994 0 - 2360 H2O 115 H2O H1 3 0.423800 1.0079 0 - 2361 H2O 115 H2O H2 3 0.423800 1.0079 0 - 2362 H2O 116 H2O O1 4 -0.847600 15.9994 0 - 2363 H2O 116 H2O H1 3 0.423800 1.0079 0 - 2364 H2O 116 H2O H2 3 0.423800 1.0079 0 - 2365 H2O 117 H2O O1 4 -0.847600 15.9994 0 - 2366 H2O 117 H2O H1 3 0.423800 1.0079 0 - 2367 H2O 117 H2O H2 3 0.423800 1.0079 0 - 2368 H2O 118 H2O O1 4 -0.847600 15.9994 0 - 2369 H2O 118 H2O H1 3 0.423800 1.0079 0 - 2370 H2O 118 H2O H2 3 0.423800 1.0079 0 - 2371 H2O 119 H2O O1 4 -0.847600 15.9994 0 - 2372 H2O 119 H2O H1 3 0.423800 1.0079 0 - 2373 H2O 119 H2O H2 3 0.423800 1.0079 0 - 2374 H2O 120 H2O O1 4 -0.847600 15.9994 0 - 2375 H2O 120 H2O H1 3 0.423800 1.0079 0 - 2376 H2O 120 H2O H2 3 0.423800 1.0079 0 - 2377 H2O 121 H2O O1 4 -0.847600 15.9994 0 - 2378 H2O 121 H2O H1 3 0.423800 1.0079 0 - 2379 H2O 121 H2O H2 3 0.423800 1.0079 0 - 2380 H2O 122 H2O O1 4 -0.847600 15.9994 0 - 2381 H2O 122 H2O H1 3 0.423800 1.0079 0 - 2382 H2O 122 H2O H2 3 0.423800 1.0079 0 - 2383 H2O 123 H2O O1 4 -0.847600 15.9994 0 - 2384 H2O 123 H2O H1 3 0.423800 1.0079 0 - 2385 H2O 123 H2O H2 3 0.423800 1.0079 0 - 2386 H2O 124 H2O O1 4 -0.847600 15.9994 0 - 2387 H2O 124 H2O H1 3 0.423800 1.0079 0 - 2388 H2O 124 H2O H2 3 0.423800 1.0079 0 - 2389 H2O 125 H2O O1 4 -0.847600 15.9994 0 - 2390 H2O 125 H2O H1 3 0.423800 1.0079 0 - 2391 H2O 125 H2O H2 3 0.423800 1.0079 0 - 2392 H2O 126 H2O O1 4 -0.847600 15.9994 0 - 2393 H2O 126 H2O H1 3 0.423800 1.0079 0 - 2394 H2O 126 H2O H2 3 0.423800 1.0079 0 - 2395 H2O 127 H2O O1 4 -0.847600 15.9994 0 - 2396 H2O 127 H2O H1 3 0.423800 1.0079 0 - 2397 H2O 127 H2O H2 3 0.423800 1.0079 0 - 2398 H2O 128 H2O O1 4 -0.847600 15.9994 0 - 2399 H2O 128 H2O H1 3 0.423800 1.0079 0 - 2400 H2O 128 H2O H2 3 0.423800 1.0079 0 - 2401 H2O 129 H2O O1 4 -0.847600 15.9994 0 - 2402 H2O 129 H2O H1 3 0.423800 1.0079 0 - 2403 H2O 129 H2O H2 3 0.423800 1.0079 0 - 2404 H2O 130 H2O O1 4 -0.847600 15.9994 0 - 2405 H2O 130 H2O H1 3 0.423800 1.0079 0 - 2406 H2O 130 H2O H2 3 0.423800 1.0079 0 - 2407 H2O 131 H2O O1 4 -0.847600 15.9994 0 - 2408 H2O 131 H2O H1 3 0.423800 1.0079 0 - 2409 H2O 131 H2O H2 3 0.423800 1.0079 0 - 2410 H2O 132 H2O O1 4 -0.847600 15.9994 0 - 2411 H2O 132 H2O H1 3 0.423800 1.0079 0 - 2412 H2O 132 H2O H2 3 0.423800 1.0079 0 - 2413 H2O 133 H2O O1 4 -0.847600 15.9994 0 - 2414 H2O 133 H2O H1 3 0.423800 1.0079 0 - 2415 H2O 133 H2O H2 3 0.423800 1.0079 0 - 2416 H2O 134 H2O O1 4 -0.847600 15.9994 0 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O1 4 -0.847600 15.9994 0 - 2441 H2O 142 H2O H1 3 0.423800 1.0079 0 - 2442 H2O 142 H2O H2 3 0.423800 1.0079 0 - 2443 H2O 143 H2O O1 4 -0.847600 15.9994 0 - 2444 H2O 143 H2O H1 3 0.423800 1.0079 0 - 2445 H2O 143 H2O H2 3 0.423800 1.0079 0 - 2446 H2O 144 H2O O1 4 -0.847600 15.9994 0 - 2447 H2O 144 H2O H1 3 0.423800 1.0079 0 - 2448 H2O 144 H2O H2 3 0.423800 1.0079 0 - 2449 H2O 145 H2O O1 4 -0.847600 15.9994 0 - 2450 H2O 145 H2O H1 3 0.423800 1.0079 0 - 2451 H2O 145 H2O H2 3 0.423800 1.0079 0 - 2452 H2O 146 H2O O1 4 -0.847600 15.9994 0 - 2453 H2O 146 H2O H1 3 0.423800 1.0079 0 - 2454 H2O 146 H2O H2 3 0.423800 1.0079 0 - 2455 H2O 147 H2O O1 4 -0.847600 15.9994 0 - 2456 H2O 147 H2O H1 3 0.423800 1.0079 0 - 2457 H2O 147 H2O H2 3 0.423800 1.0079 0 - 2458 H2O 148 H2O O1 4 -0.847600 15.9994 0 - 2459 H2O 148 H2O H1 3 0.423800 1.0079 0 - 2460 H2O 148 H2O H2 3 0.423800 1.0079 0 - 2461 H2O 149 H2O O1 4 -0.847600 15.9994 0 - 2462 H2O 149 H2O H1 3 0.423800 1.0079 0 - 2463 H2O 149 H2O H2 3 0.423800 1.0079 0 - 2464 H2O 150 H2O O1 4 -0.847600 15.9994 0 - 2465 H2O 150 H2O H1 3 0.423800 1.0079 0 - 2466 H2O 150 H2O H2 3 0.423800 1.0079 0 - 2467 H2O 151 H2O O1 4 -0.847600 15.9994 0 - 2468 H2O 151 H2O H1 3 0.423800 1.0079 0 - 2469 H2O 151 H2O H2 3 0.423800 1.0079 0 - 2470 H2O 152 H2O O1 4 -0.847600 15.9994 0 - 2471 H2O 152 H2O H1 3 0.423800 1.0079 0 - 2472 H2O 152 H2O H2 3 0.423800 1.0079 0 - 2473 H2O 153 H2O O1 4 -0.847600 15.9994 0 - 2474 H2O 153 H2O H1 3 0.423800 1.0079 0 - 2475 H2O 153 H2O H2 3 0.423800 1.0079 0 - 2476 H2O 154 H2O O1 4 -0.847600 15.9994 0 - 2477 H2O 154 H2O H1 3 0.423800 1.0079 0 - 2478 H2O 154 H2O H2 3 0.423800 1.0079 0 - 2479 H2O 155 H2O O1 4 -0.847600 15.9994 0 - 2480 H2O 155 H2O H1 3 0.423800 1.0079 0 - 2481 H2O 155 H2O H2 3 0.423800 1.0079 0 - 2482 H2O 156 H2O O1 4 -0.847600 15.9994 0 - 2483 H2O 156 H2O H1 3 0.423800 1.0079 0 - 2484 H2O 156 H2O H2 3 0.423800 1.0079 0 - 2485 H2O 157 H2O O1 4 -0.847600 15.9994 0 - 2486 H2O 157 H2O H1 3 0.423800 1.0079 0 - 2487 H2O 157 H2O H2 3 0.423800 1.0079 0 - 2488 H2O 158 H2O O1 4 -0.847600 15.9994 0 - 2489 H2O 158 H2O H1 3 0.423800 1.0079 0 - 2490 H2O 158 H2O H2 3 0.423800 1.0079 0 - 2491 H2O 159 H2O O1 4 -0.847600 15.9994 0 - 2492 H2O 159 H2O H1 3 0.423800 1.0079 0 - 2493 H2O 159 H2O H2 3 0.423800 1.0079 0 - 2494 H2O 160 H2O O1 4 -0.847600 15.9994 0 - 2495 H2O 160 H2O H1 3 0.423800 1.0079 0 - 2496 H2O 160 H2O H2 3 0.423800 1.0079 0 - 2497 H2O 161 H2O O1 4 -0.847600 15.9994 0 - 2498 H2O 161 H2O H1 3 0.423800 1.0079 0 - 2499 H2O 161 H2O H2 3 0.423800 1.0079 0 - 2500 H2O 162 H2O O1 4 -0.847600 15.9994 0 - 2501 H2O 162 H2O H1 3 0.423800 1.0079 0 - 2502 H2O 162 H2O H2 3 0.423800 1.0079 0 - 2503 H2O 163 H2O O1 4 -0.847600 15.9994 0 - 2504 H2O 163 H2O H1 3 0.423800 1.0079 0 - 2505 H2O 163 H2O H2 3 0.423800 1.0079 0 - 2506 H2O 164 H2O O1 4 -0.847600 15.9994 0 - 2507 H2O 164 H2O H1 3 0.423800 1.0079 0 - 2508 H2O 164 H2O H2 3 0.423800 1.0079 0 - 2509 H2O 165 H2O O1 4 -0.847600 15.9994 0 - 2510 H2O 165 H2O H1 3 0.423800 1.0079 0 - 2511 H2O 165 H2O H2 3 0.423800 1.0079 0 - 2512 H2O 166 H2O O1 4 -0.847600 15.9994 0 - 2513 H2O 166 H2O H1 3 0.423800 1.0079 0 - 2514 H2O 166 H2O H2 3 0.423800 1.0079 0 - 2515 H2O 167 H2O O1 4 -0.847600 15.9994 0 - 2516 H2O 167 H2O H1 3 0.423800 1.0079 0 - 2517 H2O 167 H2O H2 3 0.423800 1.0079 0 - 2518 H2O 168 H2O O1 4 -0.847600 15.9994 0 - 2519 H2O 168 H2O H1 3 0.423800 1.0079 0 - 2520 H2O 168 H2O H2 3 0.423800 1.0079 0 - 2521 H2O 169 H2O O1 4 -0.847600 15.9994 0 - 2522 H2O 169 H2O H1 3 0.423800 1.0079 0 - 2523 H2O 169 H2O H2 3 0.423800 1.0079 0 - 2524 H2O 170 H2O O1 4 -0.847600 15.9994 0 - 2525 H2O 170 H2O H1 3 0.423800 1.0079 0 - 2526 H2O 170 H2O H2 3 0.423800 1.0079 0 - 2527 H2O 171 H2O O1 4 -0.847600 15.9994 0 - 2528 H2O 171 H2O H1 3 0.423800 1.0079 0 - 2529 H2O 171 H2O H2 3 0.423800 1.0079 0 - 2530 H2O 172 H2O O1 4 -0.847600 15.9994 0 - 2531 H2O 172 H2O H1 3 0.423800 1.0079 0 - 2532 H2O 172 H2O H2 3 0.423800 1.0079 0 - 2533 H2O 173 H2O O1 4 -0.847600 15.9994 0 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O1 4 -0.847600 15.9994 0 - 2558 H2O 181 H2O H1 3 0.423800 1.0079 0 - 2559 H2O 181 H2O H2 3 0.423800 1.0079 0 - 2560 H2O 182 H2O O1 4 -0.847600 15.9994 0 - 2561 H2O 182 H2O H1 3 0.423800 1.0079 0 - 2562 H2O 182 H2O H2 3 0.423800 1.0079 0 - 2563 H2O 183 H2O O1 4 -0.847600 15.9994 0 - 2564 H2O 183 H2O H1 3 0.423800 1.0079 0 - 2565 H2O 183 H2O H2 3 0.423800 1.0079 0 - 2566 H2O 184 H2O O1 4 -0.847600 15.9994 0 - 2567 H2O 184 H2O H1 3 0.423800 1.0079 0 - 2568 H2O 184 H2O H2 3 0.423800 1.0079 0 - 2569 H2O 185 H2O O1 4 -0.847600 15.9994 0 - 2570 H2O 185 H2O H1 3 0.423800 1.0079 0 - 2571 H2O 185 H2O H2 3 0.423800 1.0079 0 - 2572 H2O 186 H2O O1 4 -0.847600 15.9994 0 - 2573 H2O 186 H2O H1 3 0.423800 1.0079 0 - 2574 H2O 186 H2O H2 3 0.423800 1.0079 0 - 2575 H2O 187 H2O O1 4 -0.847600 15.9994 0 - 2576 H2O 187 H2O H1 3 0.423800 1.0079 0 - 2577 H2O 187 H2O H2 3 0.423800 1.0079 0 - 2578 H2O 188 H2O O1 4 -0.847600 15.9994 0 - 2579 H2O 188 H2O H1 3 0.423800 1.0079 0 - 2580 H2O 188 H2O H2 3 0.423800 1.0079 0 - 2581 H2O 189 H2O O1 4 -0.847600 15.9994 0 - 2582 H2O 189 H2O H1 3 0.423800 1.0079 0 - 2583 H2O 189 H2O H2 3 0.423800 1.0079 0 - 2584 H2O 190 H2O O1 4 -0.847600 15.9994 0 - 2585 H2O 190 H2O H1 3 0.423800 1.0079 0 - 2586 H2O 190 H2O H2 3 0.423800 1.0079 0 - 2587 H2O 191 H2O O1 4 -0.847600 15.9994 0 - 2588 H2O 191 H2O H1 3 0.423800 1.0079 0 - 2589 H2O 191 H2O H2 3 0.423800 1.0079 0 - 2590 H2O 192 H2O O1 4 -0.847600 15.9994 0 - 2591 H2O 192 H2O H1 3 0.423800 1.0079 0 - 2592 H2O 192 H2O H2 3 0.423800 1.0079 0 - 2593 H2O 193 H2O O1 4 -0.847600 15.9994 0 - 2594 H2O 193 H2O H1 3 0.423800 1.0079 0 - 2595 H2O 193 H2O H2 3 0.423800 1.0079 0 - 2596 H2O 194 H2O O1 4 -0.847600 15.9994 0 - 2597 H2O 194 H2O H1 3 0.423800 1.0079 0 - 2598 H2O 194 H2O H2 3 0.423800 1.0079 0 - 2599 H2O 195 H2O O1 4 -0.847600 15.9994 0 - 2600 H2O 195 H2O H1 3 0.423800 1.0079 0 - 2601 H2O 195 H2O H2 3 0.423800 1.0079 0 - 2602 H2O 196 H2O O1 4 -0.847600 15.9994 0 - 2603 H2O 196 H2O H1 3 0.423800 1.0079 0 - 2604 H2O 196 H2O H2 3 0.423800 1.0079 0 - 2605 H2O 197 H2O O1 4 -0.847600 15.9994 0 - 2606 H2O 197 H2O H1 3 0.423800 1.0079 0 - 2607 H2O 197 H2O H2 3 0.423800 1.0079 0 - 2608 H2O 198 H2O O1 4 -0.847600 15.9994 0 - 2609 H2O 198 H2O H1 3 0.423800 1.0079 0 - 2610 H2O 198 H2O H2 3 0.423800 1.0079 0 - 2611 H2O 199 H2O O1 4 -0.847600 15.9994 0 - 2612 H2O 199 H2O H1 3 0.423800 1.0079 0 - 2613 H2O 199 H2O H2 3 0.423800 1.0079 0 - 2614 H2O 200 H2O O1 4 -0.847600 15.9994 0 - 2615 H2O 200 H2O H1 3 0.423800 1.0079 0 - 2616 H2O 200 H2O H2 3 0.423800 1.0079 0 - 2617 H2O 201 H2O O1 4 -0.847600 15.9994 0 - 2618 H2O 201 H2O H1 3 0.423800 1.0079 0 - 2619 H2O 201 H2O H2 3 0.423800 1.0079 0 - 2620 H2O 202 H2O O1 4 -0.847600 15.9994 0 - 2621 H2O 202 H2O H1 3 0.423800 1.0079 0 - 2622 H2O 202 H2O H2 3 0.423800 1.0079 0 - 2623 H2O 203 H2O O1 4 -0.847600 15.9994 0 - 2624 H2O 203 H2O H1 3 0.423800 1.0079 0 - 2625 H2O 203 H2O H2 3 0.423800 1.0079 0 - 2626 H2O 204 H2O O1 4 -0.847600 15.9994 0 - 2627 H2O 204 H2O H1 3 0.423800 1.0079 0 - 2628 H2O 204 H2O H2 3 0.423800 1.0079 0 - 2629 H2O 205 H2O O1 4 -0.847600 15.9994 0 - 2630 H2O 205 H2O H1 3 0.423800 1.0079 0 - 2631 H2O 205 H2O H2 3 0.423800 1.0079 0 - 2632 H2O 206 H2O O1 4 -0.847600 15.9994 0 - 2633 H2O 206 H2O H1 3 0.423800 1.0079 0 - 2634 H2O 206 H2O H2 3 0.423800 1.0079 0 - 2635 H2O 207 H2O O1 4 -0.847600 15.9994 0 - 2636 H2O 207 H2O H1 3 0.423800 1.0079 0 - 2637 H2O 207 H2O H2 3 0.423800 1.0079 0 - 2638 H2O 208 H2O O1 4 -0.847600 15.9994 0 - 2639 H2O 208 H2O H1 3 0.423800 1.0079 0 - 2640 H2O 208 H2O H2 3 0.423800 1.0079 0 - 2641 H2O 209 H2O O1 4 -0.847600 15.9994 0 - 2642 H2O 209 H2O H1 3 0.423800 1.0079 0 - 2643 H2O 209 H2O H2 3 0.423800 1.0079 0 - 2644 H2O 210 H2O O1 4 -0.847600 15.9994 0 - 2645 H2O 210 H2O H1 3 0.423800 1.0079 0 - 2646 H2O 210 H2O H2 3 0.423800 1.0079 0 - 2647 H2O 211 H2O O1 4 -0.847600 15.9994 0 - 2648 H2O 211 H2O H1 3 0.423800 1.0079 0 - 2649 H2O 211 H2O H2 3 0.423800 1.0079 0 - 2650 H2O 212 H2O O1 4 -0.847600 15.9994 0 - 2651 H2O 212 H2O H1 3 0.423800 1.0079 0 - 2652 H2O 212 H2O H2 3 0.423800 1.0079 0 - 2653 H2O 213 H2O O1 4 -0.847600 15.9994 0 - 2654 H2O 213 H2O H1 3 0.423800 1.0079 0 - 2655 H2O 213 H2O H2 3 0.423800 1.0079 0 - 2656 H2O 214 H2O O1 4 -0.847600 15.9994 0 - 2657 H2O 214 H2O H1 3 0.423800 1.0079 0 - 2658 H2O 214 H2O H2 3 0.423800 1.0079 0 - 2659 H2O 215 H2O O1 4 -0.847600 15.9994 0 - 2660 H2O 215 H2O H1 3 0.423800 1.0079 0 - 2661 H2O 215 H2O H2 3 0.423800 1.0079 0 - 2662 H2O 216 H2O O1 4 -0.847600 15.9994 0 - 2663 H2O 216 H2O H1 3 0.423800 1.0079 0 - 2664 H2O 216 H2O H2 3 0.423800 1.0079 0 - 2665 H2O 217 H2O O1 4 -0.847600 15.9994 0 - 2666 H2O 217 H2O H1 3 0.423800 1.0079 0 - 2667 H2O 217 H2O H2 3 0.423800 1.0079 0 - 2668 H2O 218 H2O O1 4 -0.847600 15.9994 0 - 2669 H2O 218 H2O H1 3 0.423800 1.0079 0 - 2670 H2O 218 H2O H2 3 0.423800 1.0079 0 - 2671 H2O 219 H2O O1 4 -0.847600 15.9994 0 - 2672 H2O 219 H2O H1 3 0.423800 1.0079 0 - 2673 H2O 219 H2O H2 3 0.423800 1.0079 0 - 2674 H2O 220 H2O O1 4 -0.847600 15.9994 0 - 2675 H2O 220 H2O H1 3 0.423800 1.0079 0 - 2676 H2O 220 H2O H2 3 0.423800 1.0079 0 - 2677 H2O 221 H2O O1 4 -0.847600 15.9994 0 - 2678 H2O 221 H2O H1 3 0.423800 1.0079 0 - 2679 H2O 221 H2O H2 3 0.423800 1.0079 0 - 2680 H2O 222 H2O O1 4 -0.847600 15.9994 0 - 2681 H2O 222 H2O H1 3 0.423800 1.0079 0 - 2682 H2O 222 H2O H2 3 0.423800 1.0079 0 - 2683 H2O 223 H2O O1 4 -0.847600 15.9994 0 - 2684 H2O 223 H2O H1 3 0.423800 1.0079 0 - 2685 H2O 223 H2O H2 3 0.423800 1.0079 0 - 2686 H2O 224 H2O O1 4 -0.847600 15.9994 0 - 2687 H2O 224 H2O H1 3 0.423800 1.0079 0 - 2688 H2O 224 H2O H2 3 0.423800 1.0079 0 - 2689 H2O 225 H2O O1 4 -0.847600 15.9994 0 - 2690 H2O 225 H2O H1 3 0.423800 1.0079 0 - 2691 H2O 225 H2O H2 3 0.423800 1.0079 0 - 2692 H2O 226 H2O O1 4 -0.847600 15.9994 0 - 2693 H2O 226 H2O H1 3 0.423800 1.0079 0 - 2694 H2O 226 H2O H2 3 0.423800 1.0079 0 - 2695 H2O 227 H2O O1 4 -0.847600 15.9994 0 - 2696 H2O 227 H2O H1 3 0.423800 1.0079 0 - 2697 H2O 227 H2O H2 3 0.423800 1.0079 0 - 2698 H2O 228 H2O O1 4 -0.847600 15.9994 0 - 2699 H2O 228 H2O H1 3 0.423800 1.0079 0 - 2700 H2O 228 H2O H2 3 0.423800 1.0079 0 - 2701 H2O 229 H2O O1 4 -0.847600 15.9994 0 - 2702 H2O 229 H2O H1 3 0.423800 1.0079 0 - 2703 H2O 229 H2O H2 3 0.423800 1.0079 0 - 2704 H2O 230 H2O O1 4 -0.847600 15.9994 0 - 2705 H2O 230 H2O H1 3 0.423800 1.0079 0 - 2706 H2O 230 H2O H2 3 0.423800 1.0079 0 - 2707 H2O 231 H2O O1 4 -0.847600 15.9994 0 - 2708 H2O 231 H2O H1 3 0.423800 1.0079 0 - 2709 H2O 231 H2O H2 3 0.423800 1.0079 0 - 2710 H2O 232 H2O O1 4 -0.847600 15.9994 0 - 2711 H2O 232 H2O H1 3 0.423800 1.0079 0 - 2712 H2O 232 H2O H2 3 0.423800 1.0079 0 - 2713 H2O 233 H2O O1 4 -0.847600 15.9994 0 - 2714 H2O 233 H2O H1 3 0.423800 1.0079 0 - 2715 H2O 233 H2O H2 3 0.423800 1.0079 0 - 2716 H2O 234 H2O O1 4 -0.847600 15.9994 0 - 2717 H2O 234 H2O H1 3 0.423800 1.0079 0 - 2718 H2O 234 H2O H2 3 0.423800 1.0079 0 - 2719 H2O 235 H2O O1 4 -0.847600 15.9994 0 - 2720 H2O 235 H2O H1 3 0.423800 1.0079 0 - 2721 H2O 235 H2O H2 3 0.423800 1.0079 0 - 2722 H2O 236 H2O O1 4 -0.847600 15.9994 0 - 2723 H2O 236 H2O H1 3 0.423800 1.0079 0 - 2724 H2O 236 H2O H2 3 0.423800 1.0079 0 - 2725 H2O 237 H2O O1 4 -0.847600 15.9994 0 - 2726 H2O 237 H2O H1 3 0.423800 1.0079 0 - 2727 H2O 237 H2O H2 3 0.423800 1.0079 0 - 2728 H2O 238 H2O O1 4 -0.847600 15.9994 0 - 2729 H2O 238 H2O H1 3 0.423800 1.0079 0 - 2730 H2O 238 H2O H2 3 0.423800 1.0079 0 - 2731 H2O 239 H2O O1 4 -0.847600 15.9994 0 - 2732 H2O 239 H2O H1 3 0.423800 1.0079 0 - 2733 H2O 239 H2O H2 3 0.423800 1.0079 0 - 2734 H2O 240 H2O O1 4 -0.847600 15.9994 0 - 2735 H2O 240 H2O H1 3 0.423800 1.0079 0 - 2736 H2O 240 H2O H2 3 0.423800 1.0079 0 - 2737 H2O 241 H2O O1 4 -0.847600 15.9994 0 - 2738 H2O 241 H2O H1 3 0.423800 1.0079 0 - 2739 H2O 241 H2O H2 3 0.423800 1.0079 0 - 2740 H2O 242 H2O O1 4 -0.847600 15.9994 0 - 2741 H2O 242 H2O H1 3 0.423800 1.0079 0 - 2742 H2O 242 H2O H2 3 0.423800 1.0079 0 - 2743 H2O 243 H2O O1 4 -0.847600 15.9994 0 - 2744 H2O 243 H2O H1 3 0.423800 1.0079 0 - 2745 H2O 243 H2O H2 3 0.423800 1.0079 0 - 2746 H2O 244 H2O O1 4 -0.847600 15.9994 0 - 2747 H2O 244 H2O H1 3 0.423800 1.0079 0 - 2748 H2O 244 H2O H2 3 0.423800 1.0079 0 - 2749 H2O 245 H2O O1 4 -0.847600 15.9994 0 - 2750 H2O 245 H2O H1 3 0.423800 1.0079 0 - 2751 H2O 245 H2O H2 3 0.423800 1.0079 0 - 2752 H2O 246 H2O O1 4 -0.847600 15.9994 0 - 2753 H2O 246 H2O H1 3 0.423800 1.0079 0 - 2754 H2O 246 H2O H2 3 0.423800 1.0079 0 - 2755 H2O 247 H2O O1 4 -0.847600 15.9994 0 - 2756 H2O 247 H2O H1 3 0.423800 1.0079 0 - 2757 H2O 247 H2O H2 3 0.423800 1.0079 0 - 2758 H2O 248 H2O O1 4 -0.847600 15.9994 0 - 2759 H2O 248 H2O H1 3 0.423800 1.0079 0 - 2760 H2O 248 H2O H2 3 0.423800 1.0079 0 - 2761 H2O 249 H2O O1 4 -0.847600 15.9994 0 - 2762 H2O 249 H2O H1 3 0.423800 1.0079 0 - 2763 H2O 249 H2O H2 3 0.423800 1.0079 0 - 2764 H2O 250 H2O O1 4 -0.847600 15.9994 0 - 2765 H2O 250 H2O H1 3 0.423800 1.0079 0 - 2766 H2O 250 H2O H2 3 0.423800 1.0079 0 - 2767 H2O 251 H2O O1 4 -0.847600 15.9994 0 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O1 4 -0.847600 15.9994 0 - 2792 H2O 259 H2O H1 3 0.423800 1.0079 0 - 2793 H2O 259 H2O H2 3 0.423800 1.0079 0 - 2794 H2O 260 H2O O1 4 -0.847600 15.9994 0 - 2795 H2O 260 H2O H1 3 0.423800 1.0079 0 - 2796 H2O 260 H2O H2 3 0.423800 1.0079 0 - 2797 H2O 261 H2O O1 4 -0.847600 15.9994 0 - 2798 H2O 261 H2O H1 3 0.423800 1.0079 0 - 2799 H2O 261 H2O H2 3 0.423800 1.0079 0 - 2800 H2O 262 H2O O1 4 -0.847600 15.9994 0 - 2801 H2O 262 H2O H1 3 0.423800 1.0079 0 - 2802 H2O 262 H2O H2 3 0.423800 1.0079 0 - 2803 H2O 263 H2O O1 4 -0.847600 15.9994 0 - 2804 H2O 263 H2O H1 3 0.423800 1.0079 0 - 2805 H2O 263 H2O H2 3 0.423800 1.0079 0 - 2806 H2O 264 H2O O1 4 -0.847600 15.9994 0 - 2807 H2O 264 H2O H1 3 0.423800 1.0079 0 - 2808 H2O 264 H2O H2 3 0.423800 1.0079 0 - 2809 H2O 265 H2O O1 4 -0.847600 15.9994 0 - 2810 H2O 265 H2O H1 3 0.423800 1.0079 0 - 2811 H2O 265 H2O H2 3 0.423800 1.0079 0 - 2812 H2O 266 H2O O1 4 -0.847600 15.9994 0 - 2813 H2O 266 H2O H1 3 0.423800 1.0079 0 - 2814 H2O 266 H2O H2 3 0.423800 1.0079 0 - 2815 H2O 267 H2O O1 4 -0.847600 15.9994 0 - 2816 H2O 267 H2O H1 3 0.423800 1.0079 0 - 2817 H2O 267 H2O H2 3 0.423800 1.0079 0 - 2818 H2O 268 H2O O1 4 -0.847600 15.9994 0 - 2819 H2O 268 H2O H1 3 0.423800 1.0079 0 - 2820 H2O 268 H2O H2 3 0.423800 1.0079 0 - 2821 H2O 269 H2O O1 4 -0.847600 15.9994 0 - 2822 H2O 269 H2O H1 3 0.423800 1.0079 0 - 2823 H2O 269 H2O H2 3 0.423800 1.0079 0 - 2824 H2O 270 H2O O1 4 -0.847600 15.9994 0 - 2825 H2O 270 H2O H1 3 0.423800 1.0079 0 - 2826 H2O 270 H2O H2 3 0.423800 1.0079 0 - 2827 H2O 271 H2O O1 4 -0.847600 15.9994 0 - 2828 H2O 271 H2O H1 3 0.423800 1.0079 0 - 2829 H2O 271 H2O H2 3 0.423800 1.0079 0 - 2830 H2O 272 H2O O1 4 -0.847600 15.9994 0 - 2831 H2O 272 H2O H1 3 0.423800 1.0079 0 - 2832 H2O 272 H2O H2 3 0.423800 1.0079 0 - 2833 H2O 273 H2O O1 4 -0.847600 15.9994 0 - 2834 H2O 273 H2O H1 3 0.423800 1.0079 0 - 2835 H2O 273 H2O H2 3 0.423800 1.0079 0 - 2836 H2O 274 H2O O1 4 -0.847600 15.9994 0 - 2837 H2O 274 H2O H1 3 0.423800 1.0079 0 - 2838 H2O 274 H2O H2 3 0.423800 1.0079 0 - 2839 H2O 275 H2O O1 4 -0.847600 15.9994 0 - 2840 H2O 275 H2O H1 3 0.423800 1.0079 0 - 2841 H2O 275 H2O H2 3 0.423800 1.0079 0 - 2842 H2O 276 H2O O1 4 -0.847600 15.9994 0 - 2843 H2O 276 H2O H1 3 0.423800 1.0079 0 - 2844 H2O 276 H2O H2 3 0.423800 1.0079 0 - 2845 H2O 277 H2O O1 4 -0.847600 15.9994 0 - 2846 H2O 277 H2O H1 3 0.423800 1.0079 0 - 2847 H2O 277 H2O H2 3 0.423800 1.0079 0 - 2848 H2O 278 H2O O1 4 -0.847600 15.9994 0 - 2849 H2O 278 H2O H1 3 0.423800 1.0079 0 - 2850 H2O 278 H2O H2 3 0.423800 1.0079 0 - 2851 H2O 279 H2O O1 4 -0.847600 15.9994 0 - 2852 H2O 279 H2O H1 3 0.423800 1.0079 0 - 2853 H2O 279 H2O H2 3 0.423800 1.0079 0 - 2854 H2O 280 H2O O1 4 -0.847600 15.9994 0 - 2855 H2O 280 H2O H1 3 0.423800 1.0079 0 - 2856 H2O 280 H2O H2 3 0.423800 1.0079 0 - 2857 H2O 281 H2O O1 4 -0.847600 15.9994 0 - 2858 H2O 281 H2O H1 3 0.423800 1.0079 0 - 2859 H2O 281 H2O H2 3 0.423800 1.0079 0 - 2860 H2O 282 H2O O1 4 -0.847600 15.9994 0 - 2861 H2O 282 H2O H1 3 0.423800 1.0079 0 - 2862 H2O 282 H2O H2 3 0.423800 1.0079 0 - 2863 H2O 283 H2O O1 4 -0.847600 15.9994 0 - 2864 H2O 283 H2O H1 3 0.423800 1.0079 0 - 2865 H2O 283 H2O H2 3 0.423800 1.0079 0 - 2866 H2O 284 H2O O1 4 -0.847600 15.9994 0 - 2867 H2O 284 H2O H1 3 0.423800 1.0079 0 - 2868 H2O 284 H2O H2 3 0.423800 1.0079 0 - 2869 H2O 285 H2O O1 4 -0.847600 15.9994 0 - 2870 H2O 285 H2O H1 3 0.423800 1.0079 0 - 2871 H2O 285 H2O H2 3 0.423800 1.0079 0 - 2872 H2O 286 H2O O1 4 -0.847600 15.9994 0 - 2873 H2O 286 H2O H1 3 0.423800 1.0079 0 - 2874 H2O 286 H2O H2 3 0.423800 1.0079 0 - 2875 H2O 287 H2O O1 4 -0.847600 15.9994 0 - 2876 H2O 287 H2O H1 3 0.423800 1.0079 0 - 2877 H2O 287 H2O H2 3 0.423800 1.0079 0 - 2878 H2O 288 H2O O1 4 -0.847600 15.9994 0 - 2879 H2O 288 H2O H1 3 0.423800 1.0079 0 - 2880 H2O 288 H2O H2 3 0.423800 1.0079 0 - 2881 H2O 289 H2O O1 4 -0.847600 15.9994 0 - 2882 H2O 289 H2O H1 3 0.423800 1.0079 0 - 2883 H2O 289 H2O H2 3 0.423800 1.0079 0 - 2884 H2O 290 H2O O1 4 -0.847600 15.9994 0 - 2885 H2O 290 H2O H1 3 0.423800 1.0079 0 - 2886 H2O 290 H2O H2 3 0.423800 1.0079 0 - 2887 H2O 291 H2O O1 4 -0.847600 15.9994 0 - 2888 H2O 291 H2O H1 3 0.423800 1.0079 0 - 2889 H2O 291 H2O H2 3 0.423800 1.0079 0 - 2890 H2O 292 H2O O1 4 -0.847600 15.9994 0 - 2891 H2O 292 H2O H1 3 0.423800 1.0079 0 - 2892 H2O 292 H2O H2 3 0.423800 1.0079 0 - 2893 H2O 293 H2O O1 4 -0.847600 15.9994 0 - 2894 H2O 293 H2O H1 3 0.423800 1.0079 0 - 2895 H2O 293 H2O H2 3 0.423800 1.0079 0 - 2896 H2O 294 H2O O1 4 -0.847600 15.9994 0 - 2897 H2O 294 H2O H1 3 0.423800 1.0079 0 - 2898 H2O 294 H2O H2 3 0.423800 1.0079 0 - 2899 H2O 295 H2O O1 4 -0.847600 15.9994 0 - 2900 H2O 295 H2O H1 3 0.423800 1.0079 0 - 2901 H2O 295 H2O H2 3 0.423800 1.0079 0 - 2902 H2O 296 H2O O1 4 -0.847600 15.9994 0 - 2903 H2O 296 H2O H1 3 0.423800 1.0079 0 - 2904 H2O 296 H2O H2 3 0.423800 1.0079 0 - 2905 H2O 297 H2O O1 4 -0.847600 15.9994 0 - 2906 H2O 297 H2O H1 3 0.423800 1.0079 0 - 2907 H2O 297 H2O H2 3 0.423800 1.0079 0 - 2908 H2O 298 H2O O1 4 -0.847600 15.9994 0 - 2909 H2O 298 H2O H1 3 0.423800 1.0079 0 - 2910 H2O 298 H2O H2 3 0.423800 1.0079 0 - 2911 H2O 299 H2O O1 4 -0.847600 15.9994 0 - 2912 H2O 299 H2O H1 3 0.423800 1.0079 0 - 2913 H2O 299 H2O H2 3 0.423800 1.0079 0 - 2914 H2O 300 H2O O1 4 -0.847600 15.9994 0 - 2915 H2O 300 H2O H1 3 0.423800 1.0079 0 - 2916 H2O 300 H2O H2 3 0.423800 1.0079 0 - 2917 H2O 301 H2O O1 4 -0.847600 15.9994 0 - 2918 H2O 301 H2O H1 3 0.423800 1.0079 0 - 2919 H2O 301 H2O H2 3 0.423800 1.0079 0 - 2920 H2O 302 H2O O1 4 -0.847600 15.9994 0 - 2921 H2O 302 H2O H1 3 0.423800 1.0079 0 - 2922 H2O 302 H2O H2 3 0.423800 1.0079 0 - 2923 H2O 303 H2O O1 4 -0.847600 15.9994 0 - 2924 H2O 303 H2O H1 3 0.423800 1.0079 0 - 2925 H2O 303 H2O H2 3 0.423800 1.0079 0 - 2926 H2O 304 H2O O1 4 -0.847600 15.9994 0 - 2927 H2O 304 H2O H1 3 0.423800 1.0079 0 - 2928 H2O 304 H2O H2 3 0.423800 1.0079 0 - 2929 H2O 305 H2O O1 4 -0.847600 15.9994 0 - 2930 H2O 305 H2O H1 3 0.423800 1.0079 0 - 2931 H2O 305 H2O H2 3 0.423800 1.0079 0 - 2932 H2O 306 H2O O1 4 -0.847600 15.9994 0 - 2933 H2O 306 H2O H1 3 0.423800 1.0079 0 - 2934 H2O 306 H2O H2 3 0.423800 1.0079 0 - 2935 H2O 307 H2O O1 4 -0.847600 15.9994 0 - 2936 H2O 307 H2O H1 3 0.423800 1.0079 0 - 2937 H2O 307 H2O H2 3 0.423800 1.0079 0 - 2938 H2O 308 H2O O1 4 -0.847600 15.9994 0 - 2939 H2O 308 H2O H1 3 0.423800 1.0079 0 - 2940 H2O 308 H2O H2 3 0.423800 1.0079 0 - 2941 H2O 309 H2O O1 4 -0.847600 15.9994 0 - 2942 H2O 309 H2O H1 3 0.423800 1.0079 0 - 2943 H2O 309 H2O H2 3 0.423800 1.0079 0 - 2944 H2O 310 H2O O1 4 -0.847600 15.9994 0 - 2945 H2O 310 H2O H1 3 0.423800 1.0079 0 - 2946 H2O 310 H2O H2 3 0.423800 1.0079 0 - 2947 H2O 311 H2O O1 4 -0.847600 15.9994 0 - 2948 H2O 311 H2O H1 3 0.423800 1.0079 0 - 2949 H2O 311 H2O H2 3 0.423800 1.0079 0 - 2950 H2O 312 H2O O1 4 -0.847600 15.9994 0 - 2951 H2O 312 H2O H1 3 0.423800 1.0079 0 - 2952 H2O 312 H2O H2 3 0.423800 1.0079 0 - 2953 H2O 313 H2O O1 4 -0.847600 15.9994 0 - 2954 H2O 313 H2O H1 3 0.423800 1.0079 0 - 2955 H2O 313 H2O H2 3 0.423800 1.0079 0 - 2956 H2O 314 H2O O1 4 -0.847600 15.9994 0 - 2957 H2O 314 H2O H1 3 0.423800 1.0079 0 - 2958 H2O 314 H2O H2 3 0.423800 1.0079 0 - 2959 H2O 315 H2O O1 4 -0.847600 15.9994 0 - 2960 H2O 315 H2O H1 3 0.423800 1.0079 0 - 2961 H2O 315 H2O H2 3 0.423800 1.0079 0 - 2962 H2O 316 H2O O1 4 -0.847600 15.9994 0 - 2963 H2O 316 H2O H1 3 0.423800 1.0079 0 - 2964 H2O 316 H2O H2 3 0.423800 1.0079 0 - 2965 H2O 317 H2O O1 4 -0.847600 15.9994 0 - 2966 H2O 317 H2O H1 3 0.423800 1.0079 0 - 2967 H2O 317 H2O H2 3 0.423800 1.0079 0 - 2968 H2O 318 H2O O1 4 -0.847600 15.9994 0 - 2969 H2O 318 H2O H1 3 0.423800 1.0079 0 - 2970 H2O 318 H2O H2 3 0.423800 1.0079 0 - 2971 H2O 319 H2O O1 4 -0.847600 15.9994 0 - 2972 H2O 319 H2O H1 3 0.423800 1.0079 0 - 2973 H2O 319 H2O H2 3 0.423800 1.0079 0 - 2974 H2O 320 H2O O1 4 -0.847600 15.9994 0 - 2975 H2O 320 H2O H1 3 0.423800 1.0079 0 - 2976 H2O 320 H2O H2 3 0.423800 1.0079 0 - 2977 H2O 321 H2O O1 4 -0.847600 15.9994 0 - 2978 H2O 321 H2O H1 3 0.423800 1.0079 0 - 2979 H2O 321 H2O H2 3 0.423800 1.0079 0 - 2980 H2O 322 H2O O1 4 -0.847600 15.9994 0 - 2981 H2O 322 H2O H1 3 0.423800 1.0079 0 - 2982 H2O 322 H2O H2 3 0.423800 1.0079 0 - 2983 H2O 323 H2O O1 4 -0.847600 15.9994 0 - 2984 H2O 323 H2O H1 3 0.423800 1.0079 0 - 2985 H2O 323 H2O H2 3 0.423800 1.0079 0 - 2986 H2O 324 H2O O1 4 -0.847600 15.9994 0 - 2987 H2O 324 H2O H1 3 0.423800 1.0079 0 - 2988 H2O 324 H2O H2 3 0.423800 1.0079 0 - 2989 H2O 325 H2O O1 4 -0.847600 15.9994 0 - 2990 H2O 325 H2O H1 3 0.423800 1.0079 0 - 2991 H2O 325 H2O H2 3 0.423800 1.0079 0 - 2992 H2O 326 H2O O1 4 -0.847600 15.9994 0 - 2993 H2O 326 H2O H1 3 0.423800 1.0079 0 - 2994 H2O 326 H2O H2 3 0.423800 1.0079 0 - 2995 H2O 327 H2O O1 4 -0.847600 15.9994 0 - 2996 H2O 327 H2O H1 3 0.423800 1.0079 0 - 2997 H2O 327 H2O H2 3 0.423800 1.0079 0 - 2998 H2O 328 H2O O1 4 -0.847600 15.9994 0 - 2999 H2O 328 H2O H1 3 0.423800 1.0079 0 - 3000 H2O 328 H2O H2 3 0.423800 1.0079 0 - 3001 H2O 329 H2O O1 4 -0.847600 15.9994 0 - 3002 H2O 329 H2O H1 3 0.423800 1.0079 0 - 3003 H2O 329 H2O H2 3 0.423800 1.0079 0 - 3004 H2O 330 H2O O1 4 -0.847600 15.9994 0 - 3005 H2O 330 H2O H1 3 0.423800 1.0079 0 - 3006 H2O 330 H2O H2 3 0.423800 1.0079 0 - 3007 H2O 331 H2O O1 4 -0.847600 15.9994 0 - 3008 H2O 331 H2O H1 3 0.423800 1.0079 0 - 3009 H2O 331 H2O H2 3 0.423800 1.0079 0 - 3010 H2O 332 H2O O1 4 -0.847600 15.9994 0 - 3011 H2O 332 H2O H1 3 0.423800 1.0079 0 - 3012 H2O 332 H2O H2 3 0.423800 1.0079 0 - 3013 H2O 333 H2O O1 4 -0.847600 15.9994 0 - 3014 H2O 333 H2O H1 3 0.423800 1.0079 0 - 3015 H2O 333 H2O H2 3 0.423800 1.0079 0 - 3016 H2O 334 H2O O1 4 -0.847600 15.9994 0 - 3017 H2O 334 H2O H1 3 0.423800 1.0079 0 - 3018 H2O 334 H2O H2 3 0.423800 1.0079 0 - 3019 H2O 335 H2O O1 4 -0.847600 15.9994 0 - 3020 H2O 335 H2O H1 3 0.423800 1.0079 0 - 3021 H2O 335 H2O H2 3 0.423800 1.0079 0 - 3022 H2O 336 H2O O1 4 -0.847600 15.9994 0 - 3023 H2O 336 H2O H1 3 0.423800 1.0079 0 - 3024 H2O 336 H2O H2 3 0.423800 1.0079 0 - 3025 H2O 337 H2O O1 4 -0.847600 15.9994 0 - 3026 H2O 337 H2O H1 3 0.423800 1.0079 0 - 3027 H2O 337 H2O H2 3 0.423800 1.0079 0 - 3028 H2O 338 H2O O1 4 -0.847600 15.9994 0 - 3029 H2O 338 H2O H1 3 0.423800 1.0079 0 - 3030 H2O 338 H2O H2 3 0.423800 1.0079 0 - 3031 H2O 339 H2O O1 4 -0.847600 15.9994 0 - 3032 H2O 339 H2O H1 3 0.423800 1.0079 0 - 3033 H2O 339 H2O H2 3 0.423800 1.0079 0 - 3034 H2O 340 H2O O1 4 -0.847600 15.9994 0 - 3035 H2O 340 H2O H1 3 0.423800 1.0079 0 - 3036 H2O 340 H2O H2 3 0.423800 1.0079 0 - 3037 H2O 341 H2O O1 4 -0.847600 15.9994 0 - 3038 H2O 341 H2O H1 3 0.423800 1.0079 0 - 3039 H2O 341 H2O H2 3 0.423800 1.0079 0 - 3040 H2O 342 H2O O1 4 -0.847600 15.9994 0 - 3041 H2O 342 H2O H1 3 0.423800 1.0079 0 - 3042 H2O 342 H2O H2 3 0.423800 1.0079 0 - 3043 H2O 343 H2O O1 4 -0.847600 15.9994 0 - 3044 H2O 343 H2O H1 3 0.423800 1.0079 0 - 3045 H2O 343 H2O H2 3 0.423800 1.0079 0 - 3046 H2O 344 H2O O1 4 -0.847600 15.9994 0 - 3047 H2O 344 H2O H1 3 0.423800 1.0079 0 - 3048 H2O 344 H2O H2 3 0.423800 1.0079 0 - 3049 H2O 345 H2O O1 4 -0.847600 15.9994 0 - 3050 H2O 345 H2O H1 3 0.423800 1.0079 0 - 3051 H2O 345 H2O H2 3 0.423800 1.0079 0 - 3052 H2O 346 H2O O1 4 -0.847600 15.9994 0 - 3053 H2O 346 H2O H1 3 0.423800 1.0079 0 - 3054 H2O 346 H2O H2 3 0.423800 1.0079 0 - 3055 H2O 347 H2O O1 4 -0.847600 15.9994 0 - 3056 H2O 347 H2O H1 3 0.423800 1.0079 0 - 3057 H2O 347 H2O H2 3 0.423800 1.0079 0 - 3058 H2O 348 H2O O1 4 -0.847600 15.9994 0 - 3059 H2O 348 H2O H1 3 0.423800 1.0079 0 - 3060 H2O 348 H2O H2 3 0.423800 1.0079 0 - 3061 H2O 349 H2O O1 4 -0.847600 15.9994 0 - 3062 H2O 349 H2O H1 3 0.423800 1.0079 0 - 3063 H2O 349 H2O H2 3 0.423800 1.0079 0 - 3064 H2O 350 H2O O1 4 -0.847600 15.9994 0 - 3065 H2O 350 H2O H1 3 0.423800 1.0079 0 - 3066 H2O 350 H2O H2 3 0.423800 1.0079 0 - 3067 H2O 351 H2O O1 4 -0.847600 15.9994 0 - 3068 H2O 351 H2O H1 3 0.423800 1.0079 0 - 3069 H2O 351 H2O H2 3 0.423800 1.0079 0 - 3070 H2O 352 H2O O1 4 -0.847600 15.9994 0 - 3071 H2O 352 H2O H1 3 0.423800 1.0079 0 - 3072 H2O 352 H2O H2 3 0.423800 1.0079 0 - 3073 H2O 353 H2O O1 4 -0.847600 15.9994 0 - 3074 H2O 353 H2O H1 3 0.423800 1.0079 0 - 3075 H2O 353 H2O H2 3 0.423800 1.0079 0 - 3076 H2O 354 H2O O1 4 -0.847600 15.9994 0 - 3077 H2O 354 H2O H1 3 0.423800 1.0079 0 - 3078 H2O 354 H2O H2 3 0.423800 1.0079 0 - 3079 H2O 355 H2O O1 4 -0.847600 15.9994 0 - 3080 H2O 355 H2O H1 3 0.423800 1.0079 0 - 3081 H2O 355 H2O H2 3 0.423800 1.0079 0 - 3082 H2O 356 H2O O1 4 -0.847600 15.9994 0 - 3083 H2O 356 H2O H1 3 0.423800 1.0079 0 - 3084 H2O 356 H2O H2 3 0.423800 1.0079 0 - 3085 H2O 357 H2O O1 4 -0.847600 15.9994 0 - 3086 H2O 357 H2O H1 3 0.423800 1.0079 0 - 3087 H2O 357 H2O H2 3 0.423800 1.0079 0 - 3088 H2O 358 H2O O1 4 -0.847600 15.9994 0 - 3089 H2O 358 H2O H1 3 0.423800 1.0079 0 - 3090 H2O 358 H2O H2 3 0.423800 1.0079 0 - 3091 H2O 359 H2O O1 4 -0.847600 15.9994 0 - 3092 H2O 359 H2O H1 3 0.423800 1.0079 0 - 3093 H2O 359 H2O H2 3 0.423800 1.0079 0 - 3094 H2O 360 H2O O1 4 -0.847600 15.9994 0 - 3095 H2O 360 H2O H1 3 0.423800 1.0079 0 - 3096 H2O 360 H2O H2 3 0.423800 1.0079 0 - 3097 H2O 361 H2O O1 4 -0.847600 15.9994 0 - 3098 H2O 361 H2O H1 3 0.423800 1.0079 0 - 3099 H2O 361 H2O H2 3 0.423800 1.0079 0 - 3100 H2O 362 H2O O1 4 -0.847600 15.9994 0 - 3101 H2O 362 H2O H1 3 0.423800 1.0079 0 - 3102 H2O 362 H2O H2 3 0.423800 1.0079 0 - 3103 H2O 363 H2O O1 4 -0.847600 15.9994 0 - 3104 H2O 363 H2O H1 3 0.423800 1.0079 0 - 3105 H2O 363 H2O H2 3 0.423800 1.0079 0 - 3106 H2O 364 H2O O1 4 -0.847600 15.9994 0 - 3107 H2O 364 H2O H1 3 0.423800 1.0079 0 - 3108 H2O 364 H2O H2 3 0.423800 1.0079 0 - 3109 H2O 365 H2O O1 4 -0.847600 15.9994 0 - 3110 H2O 365 H2O H1 3 0.423800 1.0079 0 - 3111 H2O 365 H2O H2 3 0.423800 1.0079 0 - 3112 H2O 366 H2O O1 4 -0.847600 15.9994 0 - 3113 H2O 366 H2O H1 3 0.423800 1.0079 0 - 3114 H2O 366 H2O H2 3 0.423800 1.0079 0 - 3115 H2O 367 H2O O1 4 -0.847600 15.9994 0 - 3116 H2O 367 H2O H1 3 0.423800 1.0079 0 - 3117 H2O 367 H2O H2 3 0.423800 1.0079 0 - 3118 H2O 368 H2O O1 4 -0.847600 15.9994 0 - 3119 H2O 368 H2O H1 3 0.423800 1.0079 0 - 3120 H2O 368 H2O H2 3 0.423800 1.0079 0 - 3121 H2O 369 H2O O1 4 -0.847600 15.9994 0 - 3122 H2O 369 H2O H1 3 0.423800 1.0079 0 - 3123 H2O 369 H2O H2 3 0.423800 1.0079 0 - 3124 H2O 370 H2O O1 4 -0.847600 15.9994 0 - 3125 H2O 370 H2O H1 3 0.423800 1.0079 0 - 3126 H2O 370 H2O H2 3 0.423800 1.0079 0 - 3127 H2O 371 H2O O1 4 -0.847600 15.9994 0 - 3128 H2O 371 H2O H1 3 0.423800 1.0079 0 - 3129 H2O 371 H2O H2 3 0.423800 1.0079 0 - 3130 H2O 372 H2O O1 4 -0.847600 15.9994 0 - 3131 H2O 372 H2O H1 3 0.423800 1.0079 0 - 3132 H2O 372 H2O H2 3 0.423800 1.0079 0 - 3133 H2O 373 H2O O1 4 -0.847600 15.9994 0 - 3134 H2O 373 H2O H1 3 0.423800 1.0079 0 - 3135 H2O 373 H2O H2 3 0.423800 1.0079 0 - 3136 H2O 374 H2O O1 4 -0.847600 15.9994 0 - 3137 H2O 374 H2O H1 3 0.423800 1.0079 0 - 3138 H2O 374 H2O H2 3 0.423800 1.0079 0 - 3139 H2O 375 H2O O1 4 -0.847600 15.9994 0 - 3140 H2O 375 H2O H1 3 0.423800 1.0079 0 - 3141 H2O 375 H2O H2 3 0.423800 1.0079 0 - 3142 H2O 376 H2O O1 4 -0.847600 15.9994 0 - 3143 H2O 376 H2O H1 3 0.423800 1.0079 0 - 3144 H2O 376 H2O H2 3 0.423800 1.0079 0 - 3145 H2O 377 H2O O1 4 -0.847600 15.9994 0 - 3146 H2O 377 H2O H1 3 0.423800 1.0079 0 - 3147 H2O 377 H2O H2 3 0.423800 1.0079 0 - 3148 H2O 378 H2O O1 4 -0.847600 15.9994 0 - 3149 H2O 378 H2O H1 3 0.423800 1.0079 0 - 3150 H2O 378 H2O H2 3 0.423800 1.0079 0 - 3151 H2O 379 H2O O1 4 -0.847600 15.9994 0 - 3152 H2O 379 H2O H1 3 0.423800 1.0079 0 - 3153 H2O 379 H2O H2 3 0.423800 1.0079 0 - 3154 H2O 380 H2O O1 4 -0.847600 15.9994 0 - 3155 H2O 380 H2O H1 3 0.423800 1.0079 0 - 3156 H2O 380 H2O H2 3 0.423800 1.0079 0 - 3157 H2O 381 H2O O1 4 -0.847600 15.9994 0 - 3158 H2O 381 H2O H1 3 0.423800 1.0079 0 - 3159 H2O 381 H2O H2 3 0.423800 1.0079 0 - 3160 H2O 382 H2O O1 4 -0.847600 15.9994 0 - 3161 H2O 382 H2O H1 3 0.423800 1.0079 0 - 3162 H2O 382 H2O H2 3 0.423800 1.0079 0 - 3163 H2O 383 H2O O1 4 -0.847600 15.9994 0 - 3164 H2O 383 H2O H1 3 0.423800 1.0079 0 - 3165 H2O 383 H2O H2 3 0.423800 1.0079 0 - 3166 H2O 384 H2O O1 4 -0.847600 15.9994 0 - 3167 H2O 384 H2O H1 3 0.423800 1.0079 0 - 3168 H2O 384 H2O H2 3 0.423800 1.0079 0 - 3169 H2O 385 H2O O1 4 -0.847600 15.9994 0 - 3170 H2O 385 H2O H1 3 0.423800 1.0079 0 - 3171 H2O 385 H2O H2 3 0.423800 1.0079 0 - 3172 H2O 386 H2O O1 4 -0.847600 15.9994 0 - 3173 H2O 386 H2O H1 3 0.423800 1.0079 0 - 3174 H2O 386 H2O H2 3 0.423800 1.0079 0 - 3175 H2O 387 H2O O1 4 -0.847600 15.9994 0 - 3176 H2O 387 H2O H1 3 0.423800 1.0079 0 - 3177 H2O 387 H2O H2 3 0.423800 1.0079 0 - 3178 H2O 388 H2O O1 4 -0.847600 15.9994 0 - 3179 H2O 388 H2O H1 3 0.423800 1.0079 0 - 3180 H2O 388 H2O H2 3 0.423800 1.0079 0 - 3181 H2O 389 H2O O1 4 -0.847600 15.9994 0 - 3182 H2O 389 H2O H1 3 0.423800 1.0079 0 - 3183 H2O 389 H2O H2 3 0.423800 1.0079 0 - 3184 H2O 390 H2O O1 4 -0.847600 15.9994 0 - 3185 H2O 390 H2O H1 3 0.423800 1.0079 0 - 3186 H2O 390 H2O H2 3 0.423800 1.0079 0 - 3187 H2O 391 H2O O1 4 -0.847600 15.9994 0 - 3188 H2O 391 H2O H1 3 0.423800 1.0079 0 - 3189 H2O 391 H2O H2 3 0.423800 1.0079 0 - 3190 H2O 392 H2O O1 4 -0.847600 15.9994 0 - 3191 H2O 392 H2O H1 3 0.423800 1.0079 0 - 3192 H2O 392 H2O H2 3 0.423800 1.0079 0 - 3193 H2O 393 H2O O1 4 -0.847600 15.9994 0 - 3194 H2O 393 H2O H1 3 0.423800 1.0079 0 - 3195 H2O 393 H2O H2 3 0.423800 1.0079 0 - 3196 H2O 394 H2O O1 4 -0.847600 15.9994 0 - 3197 H2O 394 H2O H1 3 0.423800 1.0079 0 - 3198 H2O 394 H2O H2 3 0.423800 1.0079 0 - 3199 H2O 395 H2O O1 4 -0.847600 15.9994 0 - 3200 H2O 395 H2O H1 3 0.423800 1.0079 0 - 3201 H2O 395 H2O H2 3 0.423800 1.0079 0 - 3202 H2O 396 H2O O1 4 -0.847600 15.9994 0 - 3203 H2O 396 H2O H1 3 0.423800 1.0079 0 - 3204 H2O 396 H2O H2 3 0.423800 1.0079 0 - 3205 H2O 397 H2O O1 4 -0.847600 15.9994 0 - 3206 H2O 397 H2O H1 3 0.423800 1.0079 0 - 3207 H2O 397 H2O H2 3 0.423800 1.0079 0 - 3208 H2O 398 H2O O1 4 -0.847600 15.9994 0 - 3209 H2O 398 H2O H1 3 0.423800 1.0079 0 - 3210 H2O 398 H2O H2 3 0.423800 1.0079 0 - 3211 H2O 399 H2O O1 4 -0.847600 15.9994 0 - 3212 H2O 399 H2O H1 3 0.423800 1.0079 0 - 3213 H2O 399 H2O H2 3 0.423800 1.0079 0 - 3214 H2O 400 H2O O1 4 -0.847600 15.9994 0 - 3215 H2O 400 H2O H1 3 0.423800 1.0079 0 - 3216 H2O 400 H2O H2 3 0.423800 1.0079 0 - 3217 H2O 401 H2O O1 4 -0.847600 15.9994 0 - 3218 H2O 401 H2O H1 3 0.423800 1.0079 0 - 3219 H2O 401 H2O H2 3 0.423800 1.0079 0 - 3220 H2O 402 H2O O1 4 -0.847600 15.9994 0 - 3221 H2O 402 H2O H1 3 0.423800 1.0079 0 - 3222 H2O 402 H2O H2 3 0.423800 1.0079 0 - 3223 H2O 403 H2O O1 4 -0.847600 15.9994 0 - 3224 H2O 403 H2O H1 3 0.423800 1.0079 0 - 3225 H2O 403 H2O H2 3 0.423800 1.0079 0 - 3226 H2O 404 H2O O1 4 -0.847600 15.9994 0 - 3227 H2O 404 H2O H1 3 0.423800 1.0079 0 - 3228 H2O 404 H2O H2 3 0.423800 1.0079 0 - 3229 H2O 405 H2O O1 4 -0.847600 15.9994 0 - 3230 H2O 405 H2O H1 3 0.423800 1.0079 0 - 3231 H2O 405 H2O H2 3 0.423800 1.0079 0 - 3232 H2O 406 H2O O1 4 -0.847600 15.9994 0 - 3233 H2O 406 H2O H1 3 0.423800 1.0079 0 - 3234 H2O 406 H2O H2 3 0.423800 1.0079 0 - 3235 H2O 407 H2O O1 4 -0.847600 15.9994 0 - 3236 H2O 407 H2O H1 3 0.423800 1.0079 0 - 3237 H2O 407 H2O H2 3 0.423800 1.0079 0 - 3238 H2O 408 H2O O1 4 -0.847600 15.9994 0 - 3239 H2O 408 H2O H1 3 0.423800 1.0079 0 - 3240 H2O 408 H2O H2 3 0.423800 1.0079 0 - 3241 H2O 409 H2O O1 4 -0.847600 15.9994 0 - 3242 H2O 409 H2O H1 3 0.423800 1.0079 0 - 3243 H2O 409 H2O H2 3 0.423800 1.0079 0 - 3244 H2O 410 H2O O1 4 -0.847600 15.9994 0 - 3245 H2O 410 H2O H1 3 0.423800 1.0079 0 - 3246 H2O 410 H2O H2 3 0.423800 1.0079 0 - 3247 H2O 411 H2O O1 4 -0.847600 15.9994 0 - 3248 H2O 411 H2O H1 3 0.423800 1.0079 0 - 3249 H2O 411 H2O H2 3 0.423800 1.0079 0 - 3250 H2O 412 H2O O1 4 -0.847600 15.9994 0 - 3251 H2O 412 H2O H1 3 0.423800 1.0079 0 - 3252 H2O 412 H2O H2 3 0.423800 1.0079 0 - 3253 H2O 413 H2O O1 4 -0.847600 15.9994 0 - 3254 H2O 413 H2O H1 3 0.423800 1.0079 0 - 3255 H2O 413 H2O H2 3 0.423800 1.0079 0 - 3256 H2O 414 H2O O1 4 -0.847600 15.9994 0 - 3257 H2O 414 H2O H1 3 0.423800 1.0079 0 - 3258 H2O 414 H2O H2 3 0.423800 1.0079 0 - 3259 H2O 415 H2O O1 4 -0.847600 15.9994 0 - 3260 H2O 415 H2O H1 3 0.423800 1.0079 0 - 3261 H2O 415 H2O H2 3 0.423800 1.0079 0 - 3262 H2O 416 H2O O1 4 -0.847600 15.9994 0 - 3263 H2O 416 H2O H1 3 0.423800 1.0079 0 - 3264 H2O 416 H2O H2 3 0.423800 1.0079 0 - 3265 H2O 417 H2O O1 4 -0.847600 15.9994 0 - 3266 H2O 417 H2O H1 3 0.423800 1.0079 0 - 3267 H2O 417 H2O H2 3 0.423800 1.0079 0 - 3268 H2O 418 H2O O1 4 -0.847600 15.9994 0 - 3269 H2O 418 H2O H1 3 0.423800 1.0079 0 - 3270 H2O 418 H2O H2 3 0.423800 1.0079 0 - 3271 H2O 419 H2O O1 4 -0.847600 15.9994 0 - 3272 H2O 419 H2O H1 3 0.423800 1.0079 0 - 3273 H2O 419 H2O H2 3 0.423800 1.0079 0 - 3274 H2O 420 H2O O1 4 -0.847600 15.9994 0 - 3275 H2O 420 H2O H1 3 0.423800 1.0079 0 - 3276 H2O 420 H2O H2 3 0.423800 1.0079 0 - 3277 H2O 421 H2O O1 4 -0.847600 15.9994 0 - 3278 H2O 421 H2O H1 3 0.423800 1.0079 0 - 3279 H2O 421 H2O H2 3 0.423800 1.0079 0 - 3280 H2O 422 H2O O1 4 -0.847600 15.9994 0 - 3281 H2O 422 H2O H1 3 0.423800 1.0079 0 - 3282 H2O 422 H2O H2 3 0.423800 1.0079 0 - 3283 H2O 423 H2O O1 4 -0.847600 15.9994 0 - 3284 H2O 423 H2O H1 3 0.423800 1.0079 0 - 3285 H2O 423 H2O H2 3 0.423800 1.0079 0 - 3286 H2O 424 H2O O1 4 -0.847600 15.9994 0 - 3287 H2O 424 H2O H1 3 0.423800 1.0079 0 - 3288 H2O 424 H2O H2 3 0.423800 1.0079 0 - 3289 H2O 425 H2O O1 4 -0.847600 15.9994 0 - 3290 H2O 425 H2O H1 3 0.423800 1.0079 0 - 3291 H2O 425 H2O H2 3 0.423800 1.0079 0 - 3292 H2O 426 H2O O1 4 -0.847600 15.9994 0 - 3293 H2O 426 H2O H1 3 0.423800 1.0079 0 - 3294 H2O 426 H2O H2 3 0.423800 1.0079 0 - 3295 H2O 427 H2O O1 4 -0.847600 15.9994 0 - 3296 H2O 427 H2O H1 3 0.423800 1.0079 0 - 3297 H2O 427 H2O H2 3 0.423800 1.0079 0 - 3298 H2O 428 H2O O1 4 -0.847600 15.9994 0 - 3299 H2O 428 H2O H1 3 0.423800 1.0079 0 - 3300 H2O 428 H2O H2 3 0.423800 1.0079 0 - 3301 H2O 429 H2O O1 4 -0.847600 15.9994 0 - 3302 H2O 429 H2O H1 3 0.423800 1.0079 0 - 3303 H2O 429 H2O H2 3 0.423800 1.0079 0 - 3304 H2O 430 H2O O1 4 -0.847600 15.9994 0 - 3305 H2O 430 H2O H1 3 0.423800 1.0079 0 - 3306 H2O 430 H2O H2 3 0.423800 1.0079 0 - 3307 H2O 431 H2O O1 4 -0.847600 15.9994 0 - 3308 H2O 431 H2O H1 3 0.423800 1.0079 0 - 3309 H2O 431 H2O H2 3 0.423800 1.0079 0 - 3310 H2O 432 H2O O1 4 -0.847600 15.9994 0 - 3311 H2O 432 H2O H1 3 0.423800 1.0079 0 - 3312 H2O 432 H2O H2 3 0.423800 1.0079 0 - 3313 H2O 433 H2O O1 4 -0.847600 15.9994 0 - 3314 H2O 433 H2O H1 3 0.423800 1.0079 0 - 3315 H2O 433 H2O H2 3 0.423800 1.0079 0 - 3316 H2O 434 H2O O1 4 -0.847600 15.9994 0 - 3317 H2O 434 H2O H1 3 0.423800 1.0079 0 - 3318 H2O 434 H2O H2 3 0.423800 1.0079 0 - 3319 H2O 435 H2O O1 4 -0.847600 15.9994 0 - 3320 H2O 435 H2O H1 3 0.423800 1.0079 0 - 3321 H2O 435 H2O H2 3 0.423800 1.0079 0 - 3322 H2O 436 H2O O1 4 -0.847600 15.9994 0 - 3323 H2O 436 H2O H1 3 0.423800 1.0079 0 - 3324 H2O 436 H2O H2 3 0.423800 1.0079 0 - 3325 H2O 437 H2O O1 4 -0.847600 15.9994 0 - 3326 H2O 437 H2O H1 3 0.423800 1.0079 0 - 3327 H2O 437 H2O H2 3 0.423800 1.0079 0 - 3328 H2O 438 H2O O1 4 -0.847600 15.9994 0 - 3329 H2O 438 H2O H1 3 0.423800 1.0079 0 - 3330 H2O 438 H2O H2 3 0.423800 1.0079 0 - 3331 H2O 439 H2O O1 4 -0.847600 15.9994 0 - 3332 H2O 439 H2O H1 3 0.423800 1.0079 0 - 3333 H2O 439 H2O H2 3 0.423800 1.0079 0 - 3334 H2O 440 H2O O1 4 -0.847600 15.9994 0 - 3335 H2O 440 H2O H1 3 0.423800 1.0079 0 - 3336 H2O 440 H2O H2 3 0.423800 1.0079 0 - 3337 H2O 441 H2O O1 4 -0.847600 15.9994 0 - 3338 H2O 441 H2O H1 3 0.423800 1.0079 0 - 3339 H2O 441 H2O H2 3 0.423800 1.0079 0 - 3340 H2O 442 H2O O1 4 -0.847600 15.9994 0 - 3341 H2O 442 H2O H1 3 0.423800 1.0079 0 - 3342 H2O 442 H2O H2 3 0.423800 1.0079 0 - 3343 H2O 443 H2O O1 4 -0.847600 15.9994 0 - 3344 H2O 443 H2O H1 3 0.423800 1.0079 0 - 3345 H2O 443 H2O H2 3 0.423800 1.0079 0 - 3346 H2O 444 H2O O1 4 -0.847600 15.9994 0 - 3347 H2O 444 H2O H1 3 0.423800 1.0079 0 - 3348 H2O 444 H2O H2 3 0.423800 1.0079 0 - 3349 H2O 445 H2O O1 4 -0.847600 15.9994 0 - 3350 H2O 445 H2O H1 3 0.423800 1.0079 0 - 3351 H2O 445 H2O H2 3 0.423800 1.0079 0 - 3352 H2O 446 H2O O1 4 -0.847600 15.9994 0 - 3353 H2O 446 H2O H1 3 0.423800 1.0079 0 - 3354 H2O 446 H2O H2 3 0.423800 1.0079 0 - 3355 H2O 447 H2O O1 4 -0.847600 15.9994 0 - 3356 H2O 447 H2O H1 3 0.423800 1.0079 0 - 3357 H2O 447 H2O H2 3 0.423800 1.0079 0 - 3358 H2O 448 H2O O1 4 -0.847600 15.9994 0 - 3359 H2O 448 H2O H1 3 0.423800 1.0079 0 - 3360 H2O 448 H2O H2 3 0.423800 1.0079 0 - 3361 H2O 449 H2O O1 4 -0.847600 15.9994 0 - 3362 H2O 449 H2O H1 3 0.423800 1.0079 0 - 3363 H2O 449 H2O H2 3 0.423800 1.0079 0 - 3364 H2O 450 H2O O1 4 -0.847600 15.9994 0 - 3365 H2O 450 H2O H1 3 0.423800 1.0079 0 - 3366 H2O 450 H2O H2 3 0.423800 1.0079 0 - 3367 H2O 451 H2O O1 4 -0.847600 15.9994 0 - 3368 H2O 451 H2O H1 3 0.423800 1.0079 0 - 3369 H2O 451 H2O H2 3 0.423800 1.0079 0 - 3370 H2O 452 H2O O1 4 -0.847600 15.9994 0 - 3371 H2O 452 H2O H1 3 0.423800 1.0079 0 - 3372 H2O 452 H2O H2 3 0.423800 1.0079 0 - 3373 H2O 453 H2O O1 4 -0.847600 15.9994 0 - 3374 H2O 453 H2O H1 3 0.423800 1.0079 0 - 3375 H2O 453 H2O H2 3 0.423800 1.0079 0 - 3376 H2O 454 H2O O1 4 -0.847600 15.9994 0 - 3377 H2O 454 H2O H1 3 0.423800 1.0079 0 - 3378 H2O 454 H2O H2 3 0.423800 1.0079 0 - 3379 H2O 455 H2O O1 4 -0.847600 15.9994 0 - 3380 H2O 455 H2O H1 3 0.423800 1.0079 0 - 3381 H2O 455 H2O H2 3 0.423800 1.0079 0 - 3382 H2O 456 H2O O1 4 -0.847600 15.9994 0 - 3383 H2O 456 H2O H1 3 0.423800 1.0079 0 - 3384 H2O 456 H2O H2 3 0.423800 1.0079 0 - 3385 H2O 457 H2O O1 4 -0.847600 15.9994 0 - 3386 H2O 457 H2O H1 3 0.423800 1.0079 0 - 3387 H2O 457 H2O H2 3 0.423800 1.0079 0 - 3388 H2O 458 H2O O1 4 -0.847600 15.9994 0 - 3389 H2O 458 H2O H1 3 0.423800 1.0079 0 - 3390 H2O 458 H2O H2 3 0.423800 1.0079 0 - 3391 H2O 459 H2O O1 4 -0.847600 15.9994 0 - 3392 H2O 459 H2O H1 3 0.423800 1.0079 0 - 3393 H2O 459 H2O H2 3 0.423800 1.0079 0 - 3394 H2O 460 H2O O1 4 -0.847600 15.9994 0 - 3395 H2O 460 H2O H1 3 0.423800 1.0079 0 - 3396 H2O 460 H2O H2 3 0.423800 1.0079 0 - 3397 H2O 461 H2O O1 4 -0.847600 15.9994 0 - 3398 H2O 461 H2O H1 3 0.423800 1.0079 0 - 3399 H2O 461 H2O H2 3 0.423800 1.0079 0 - 3400 H2O 462 H2O O1 4 -0.847600 15.9994 0 - 3401 H2O 462 H2O H1 3 0.423800 1.0079 0 - 3402 H2O 462 H2O H2 3 0.423800 1.0079 0 - 3403 H2O 463 H2O O1 4 -0.847600 15.9994 0 - 3404 H2O 463 H2O H1 3 0.423800 1.0079 0 - 3405 H2O 463 H2O H2 3 0.423800 1.0079 0 - 3406 H2O 464 H2O O1 4 -0.847600 15.9994 0 - 3407 H2O 464 H2O H1 3 0.423800 1.0079 0 - 3408 H2O 464 H2O H2 3 0.423800 1.0079 0 - 3409 H2O 465 H2O O1 4 -0.847600 15.9994 0 - 3410 H2O 465 H2O H1 3 0.423800 1.0079 0 - 3411 H2O 465 H2O H2 3 0.423800 1.0079 0 - 3412 H2O 466 H2O O1 4 -0.847600 15.9994 0 - 3413 H2O 466 H2O H1 3 0.423800 1.0079 0 - 3414 H2O 466 H2O H2 3 0.423800 1.0079 0 - 3415 H2O 467 H2O O1 4 -0.847600 15.9994 0 - 3416 H2O 467 H2O H1 3 0.423800 1.0079 0 - 3417 H2O 467 H2O H2 3 0.423800 1.0079 0 - 3418 H2O 468 H2O O1 4 -0.847600 15.9994 0 - 3419 H2O 468 H2O H1 3 0.423800 1.0079 0 - 3420 H2O 468 H2O H2 3 0.423800 1.0079 0 - 3421 H2O 469 H2O O1 4 -0.847600 15.9994 0 - 3422 H2O 469 H2O H1 3 0.423800 1.0079 0 - 3423 H2O 469 H2O H2 3 0.423800 1.0079 0 - 3424 H2O 470 H2O O1 4 -0.847600 15.9994 0 - 3425 H2O 470 H2O H1 3 0.423800 1.0079 0 - 3426 H2O 470 H2O H2 3 0.423800 1.0079 0 - 3427 H2O 471 H2O O1 4 -0.847600 15.9994 0 - 3428 H2O 471 H2O H1 3 0.423800 1.0079 0 - 3429 H2O 471 H2O H2 3 0.423800 1.0079 0 - 3430 H2O 472 H2O O1 4 -0.847600 15.9994 0 - 3431 H2O 472 H2O H1 3 0.423800 1.0079 0 - 3432 H2O 472 H2O H2 3 0.423800 1.0079 0 - 3433 H2O 473 H2O O1 4 -0.847600 15.9994 0 - 3434 H2O 473 H2O H1 3 0.423800 1.0079 0 - 3435 H2O 473 H2O H2 3 0.423800 1.0079 0 - 3436 H2O 474 H2O O1 4 -0.847600 15.9994 0 - 3437 H2O 474 H2O H1 3 0.423800 1.0079 0 - 3438 H2O 474 H2O H2 3 0.423800 1.0079 0 - 3439 H2O 475 H2O O1 4 -0.847600 15.9994 0 - 3440 H2O 475 H2O H1 3 0.423800 1.0079 0 - 3441 H2O 475 H2O H2 3 0.423800 1.0079 0 - 3442 H2O 476 H2O O1 4 -0.847600 15.9994 0 - 3443 H2O 476 H2O H1 3 0.423800 1.0079 0 - 3444 H2O 476 H2O H2 3 0.423800 1.0079 0 - 3445 H2O 477 H2O O1 4 -0.847600 15.9994 0 - 3446 H2O 477 H2O H1 3 0.423800 1.0079 0 - 3447 H2O 477 H2O H2 3 0.423800 1.0079 0 - 3448 H2O 478 H2O O1 4 -0.847600 15.9994 0 - 3449 H2O 478 H2O H1 3 0.423800 1.0079 0 - 3450 H2O 478 H2O H2 3 0.423800 1.0079 0 - 3451 H2O 479 H2O O1 4 -0.847600 15.9994 0 - 3452 H2O 479 H2O H1 3 0.423800 1.0079 0 - 3453 H2O 479 H2O H2 3 0.423800 1.0079 0 - 3454 H2O 480 H2O O1 4 -0.847600 15.9994 0 - 3455 H2O 480 H2O H1 3 0.423800 1.0079 0 - 3456 H2O 480 H2O H2 3 0.423800 1.0079 0 - 3457 H2O 481 H2O O1 4 -0.847600 15.9994 0 - 3458 H2O 481 H2O H1 3 0.423800 1.0079 0 - 3459 H2O 481 H2O H2 3 0.423800 1.0079 0 - 3460 H2O 482 H2O O1 4 -0.847600 15.9994 0 - 3461 H2O 482 H2O H1 3 0.423800 1.0079 0 - 3462 H2O 482 H2O H2 3 0.423800 1.0079 0 - 3463 H2O 483 H2O O1 4 -0.847600 15.9994 0 - 3464 H2O 483 H2O H1 3 0.423800 1.0079 0 - 3465 H2O 483 H2O H2 3 0.423800 1.0079 0 - 3466 H2O 484 H2O O1 4 -0.847600 15.9994 0 - 3467 H2O 484 H2O H1 3 0.423800 1.0079 0 - 3468 H2O 484 H2O H2 3 0.423800 1.0079 0 - 3469 H2O 485 H2O O1 4 -0.847600 15.9994 0 - 3470 H2O 485 H2O H1 3 0.423800 1.0079 0 - 3471 H2O 485 H2O H2 3 0.423800 1.0079 0 - 3472 H2O 486 H2O O1 4 -0.847600 15.9994 0 - 3473 H2O 486 H2O H1 3 0.423800 1.0079 0 - 3474 H2O 486 H2O H2 3 0.423800 1.0079 0 - 3475 H2O 487 H2O O1 4 -0.847600 15.9994 0 - 3476 H2O 487 H2O H1 3 0.423800 1.0079 0 - 3477 H2O 487 H2O H2 3 0.423800 1.0079 0 - 3478 H2O 488 H2O O1 4 -0.847600 15.9994 0 - 3479 H2O 488 H2O H1 3 0.423800 1.0079 0 - 3480 H2O 488 H2O H2 3 0.423800 1.0079 0 - 3481 H2O 489 H2O O1 4 -0.847600 15.9994 0 - 3482 H2O 489 H2O H1 3 0.423800 1.0079 0 - 3483 H2O 489 H2O H2 3 0.423800 1.0079 0 - 3484 H2O 490 H2O O1 4 -0.847600 15.9994 0 - 3485 H2O 490 H2O H1 3 0.423800 1.0079 0 - 3486 H2O 490 H2O H2 3 0.423800 1.0079 0 - 3487 H2O 491 H2O O1 4 -0.847600 15.9994 0 - 3488 H2O 491 H2O H1 3 0.423800 1.0079 0 - 3489 H2O 491 H2O H2 3 0.423800 1.0079 0 - 3490 H2O 492 H2O O1 4 -0.847600 15.9994 0 - 3491 H2O 492 H2O H1 3 0.423800 1.0079 0 - 3492 H2O 492 H2O H2 3 0.423800 1.0079 0 - 3493 H2O 493 H2O O1 4 -0.847600 15.9994 0 - 3494 H2O 493 H2O H1 3 0.423800 1.0079 0 - 3495 H2O 493 H2O H2 3 0.423800 1.0079 0 - 3496 H2O 494 H2O O1 4 -0.847600 15.9994 0 - 3497 H2O 494 H2O H1 3 0.423800 1.0079 0 - 3498 H2O 494 H2O H2 3 0.423800 1.0079 0 - 3499 H2O 495 H2O O1 4 -0.847600 15.9994 0 - 3500 H2O 495 H2O H1 3 0.423800 1.0079 0 - 3501 H2O 495 H2O H2 3 0.423800 1.0079 0 - 3502 H2O 496 H2O O1 4 -0.847600 15.9994 0 - 3503 H2O 496 H2O H1 3 0.423800 1.0079 0 - 3504 H2O 496 H2O H2 3 0.423800 1.0079 0 - 3505 H2O 497 H2O O1 4 -0.847600 15.9994 0 - 3506 H2O 497 H2O H1 3 0.423800 1.0079 0 - 3507 H2O 497 H2O H2 3 0.423800 1.0079 0 - 3508 H2O 498 H2O O1 4 -0.847600 15.9994 0 - 3509 H2O 498 H2O H1 3 0.423800 1.0079 0 - 3510 H2O 498 H2O H2 3 0.423800 1.0079 0 - 3511 H2O 499 H2O O1 4 -0.847600 15.9994 0 - 3512 H2O 499 H2O H1 3 0.423800 1.0079 0 - 3513 H2O 499 H2O H2 3 0.423800 1.0079 0 - 3514 H2O 500 H2O O1 4 -0.847600 15.9994 0 - 3515 H2O 500 H2O H1 3 0.423800 1.0079 0 - 3516 H2O 500 H2O H2 3 0.423800 1.0079 0 - 3517 H2O 501 H2O O1 4 -0.847600 15.9994 0 - 3518 H2O 501 H2O H1 3 0.423800 1.0079 0 - 3519 H2O 501 H2O H2 3 0.423800 1.0079 0 - 3520 H2O 502 H2O O1 4 -0.847600 15.9994 0 - 3521 H2O 502 H2O H1 3 0.423800 1.0079 0 - 3522 H2O 502 H2O H2 3 0.423800 1.0079 0 - 3523 H2O 503 H2O O1 4 -0.847600 15.9994 0 - 3524 H2O 503 H2O H1 3 0.423800 1.0079 0 - 3525 H2O 503 H2O H2 3 0.423800 1.0079 0 - 3526 H2O 504 H2O O1 4 -0.847600 15.9994 0 - 3527 H2O 504 H2O H1 3 0.423800 1.0079 0 - 3528 H2O 504 H2O H2 3 0.423800 1.0079 0 - 3529 H2O 505 H2O O1 4 -0.847600 15.9994 0 - 3530 H2O 505 H2O H1 3 0.423800 1.0079 0 - 3531 H2O 505 H2O H2 3 0.423800 1.0079 0 - 3532 H2O 506 H2O O1 4 -0.847600 15.9994 0 - 3533 H2O 506 H2O H1 3 0.423800 1.0079 0 - 3534 H2O 506 H2O H2 3 0.423800 1.0079 0 - 3535 H2O 507 H2O O1 4 -0.847600 15.9994 0 - 3536 H2O 507 H2O H1 3 0.423800 1.0079 0 - 3537 H2O 507 H2O H2 3 0.423800 1.0079 0 - 3538 H2O 508 H2O O1 4 -0.847600 15.9994 0 - 3539 H2O 508 H2O H1 3 0.423800 1.0079 0 - 3540 H2O 508 H2O H2 3 0.423800 1.0079 0 - 3541 H2O 509 H2O O1 4 -0.847600 15.9994 0 - 3542 H2O 509 H2O H1 3 0.423800 1.0079 0 - 3543 H2O 509 H2O H2 3 0.423800 1.0079 0 - 3544 H2O 510 H2O O1 4 -0.847600 15.9994 0 - 3545 H2O 510 H2O H1 3 0.423800 1.0079 0 - 3546 H2O 510 H2O H2 3 0.423800 1.0079 0 - 3547 H2O 511 H2O O1 4 -0.847600 15.9994 0 - 3548 H2O 511 H2O H1 3 0.423800 1.0079 0 - 3549 H2O 511 H2O H2 3 0.423800 1.0079 0 - 3550 H2O 512 H2O O1 4 -0.847600 15.9994 0 - 3551 H2O 512 H2O H1 3 0.423800 1.0079 0 - 3552 H2O 512 H2O H2 3 0.423800 1.0079 0 - 3553 H2O 513 H2O O1 4 -0.847600 15.9994 0 - 3554 H2O 513 H2O H1 3 0.423800 1.0079 0 - 3555 H2O 513 H2O H2 3 0.423800 1.0079 0 - 3556 H2O 514 H2O O1 4 -0.847600 15.9994 0 - 3557 H2O 514 H2O H1 3 0.423800 1.0079 0 - 3558 H2O 514 H2O H2 3 0.423800 1.0079 0 - 3559 H2O 515 H2O O1 4 -0.847600 15.9994 0 - 3560 H2O 515 H2O H1 3 0.423800 1.0079 0 - 3561 H2O 515 H2O H2 3 0.423800 1.0079 0 - 3562 H2O 516 H2O O1 4 -0.847600 15.9994 0 - 3563 H2O 516 H2O H1 3 0.423800 1.0079 0 - 3564 H2O 516 H2O H2 3 0.423800 1.0079 0 - 3565 H2O 517 H2O O1 4 -0.847600 15.9994 0 - 3566 H2O 517 H2O H1 3 0.423800 1.0079 0 - 3567 H2O 517 H2O H2 3 0.423800 1.0079 0 - 3568 H2O 518 H2O O1 4 -0.847600 15.9994 0 - 3569 H2O 518 H2O H1 3 0.423800 1.0079 0 - 3570 H2O 518 H2O H2 3 0.423800 1.0079 0 - 3571 H2O 519 H2O O1 4 -0.847600 15.9994 0 - 3572 H2O 519 H2O H1 3 0.423800 1.0079 0 - 3573 H2O 519 H2O H2 3 0.423800 1.0079 0 - 3574 H2O 520 H2O O1 4 -0.847600 15.9994 0 - 3575 H2O 520 H2O H1 3 0.423800 1.0079 0 - 3576 H2O 520 H2O H2 3 0.423800 1.0079 0 - 3577 H2O 521 H2O O1 4 -0.847600 15.9994 0 - 3578 H2O 521 H2O H1 3 0.423800 1.0079 0 - 3579 H2O 521 H2O H2 3 0.423800 1.0079 0 - 3580 H2O 522 H2O O1 4 -0.847600 15.9994 0 - 3581 H2O 522 H2O H1 3 0.423800 1.0079 0 - 3582 H2O 522 H2O H2 3 0.423800 1.0079 0 - 3583 H2O 523 H2O O1 4 -0.847600 15.9994 0 - 3584 H2O 523 H2O H1 3 0.423800 1.0079 0 - 3585 H2O 523 H2O H2 3 0.423800 1.0079 0 - 3586 H2O 524 H2O O1 4 -0.847600 15.9994 0 - 3587 H2O 524 H2O H1 3 0.423800 1.0079 0 - 3588 H2O 524 H2O H2 3 0.423800 1.0079 0 - 3589 H2O 525 H2O O1 4 -0.847600 15.9994 0 - 3590 H2O 525 H2O H1 3 0.423800 1.0079 0 - 3591 H2O 525 H2O H2 3 0.423800 1.0079 0 - 3592 H2O 526 H2O O1 4 -0.847600 15.9994 0 - 3593 H2O 526 H2O H1 3 0.423800 1.0079 0 - 3594 H2O 526 H2O H2 3 0.423800 1.0079 0 - 3595 H2O 527 H2O O1 4 -0.847600 15.9994 0 - 3596 H2O 527 H2O H1 3 0.423800 1.0079 0 - 3597 H2O 527 H2O H2 3 0.423800 1.0079 0 - 3598 H2O 528 H2O O1 4 -0.847600 15.9994 0 - 3599 H2O 528 H2O H1 3 0.423800 1.0079 0 - 3600 H2O 528 H2O H2 3 0.423800 1.0079 0 - 3601 H2O 529 H2O O1 4 -0.847600 15.9994 0 - 3602 H2O 529 H2O H1 3 0.423800 1.0079 0 - 3603 H2O 529 H2O H2 3 0.423800 1.0079 0 - 3604 H2O 530 H2O O1 4 -0.847600 15.9994 0 - 3605 H2O 530 H2O H1 3 0.423800 1.0079 0 - 3606 H2O 530 H2O H2 3 0.423800 1.0079 0 - 3607 H2O 531 H2O O1 4 -0.847600 15.9994 0 - 3608 H2O 531 H2O H1 3 0.423800 1.0079 0 - 3609 H2O 531 H2O H2 3 0.423800 1.0079 0 - 3610 H2O 532 H2O O1 4 -0.847600 15.9994 0 - 3611 H2O 532 H2O H1 3 0.423800 1.0079 0 - 3612 H2O 532 H2O H2 3 0.423800 1.0079 0 - 3613 H2O 533 H2O O1 4 -0.847600 15.9994 0 - 3614 H2O 533 H2O H1 3 0.423800 1.0079 0 - 3615 H2O 533 H2O H2 3 0.423800 1.0079 0 - 3616 H2O 534 H2O O1 4 -0.847600 15.9994 0 - 3617 H2O 534 H2O H1 3 0.423800 1.0079 0 - 3618 H2O 534 H2O H2 3 0.423800 1.0079 0 - 3619 H2O 535 H2O O1 4 -0.847600 15.9994 0 - 3620 H2O 535 H2O H1 3 0.423800 1.0079 0 - 3621 H2O 535 H2O H2 3 0.423800 1.0079 0 - 3622 H2O 536 H2O O1 4 -0.847600 15.9994 0 - 3623 H2O 536 H2O H1 3 0.423800 1.0079 0 - 3624 H2O 536 H2O H2 3 0.423800 1.0079 0 - 3625 H2O 537 H2O O1 4 -0.847600 15.9994 0 - 3626 H2O 537 H2O H1 3 0.423800 1.0079 0 - 3627 H2O 537 H2O H2 3 0.423800 1.0079 0 - 3628 H2O 538 H2O O1 4 -0.847600 15.9994 0 - 3629 H2O 538 H2O H1 3 0.423800 1.0079 0 - 3630 H2O 538 H2O H2 3 0.423800 1.0079 0 - 3631 H2O 539 H2O O1 4 -0.847600 15.9994 0 - 3632 H2O 539 H2O H1 3 0.423800 1.0079 0 - 3633 H2O 539 H2O H2 3 0.423800 1.0079 0 - 3634 H2O 540 H2O O1 4 -0.847600 15.9994 0 - 3635 H2O 540 H2O H1 3 0.423800 1.0079 0 - 3636 H2O 540 H2O H2 3 0.423800 1.0079 0 - 3637 H2O 541 H2O O1 4 -0.847600 15.9994 0 - 3638 H2O 541 H2O H1 3 0.423800 1.0079 0 - 3639 H2O 541 H2O H2 3 0.423800 1.0079 0 - 3640 H2O 542 H2O O1 4 -0.847600 15.9994 0 - 3641 H2O 542 H2O H1 3 0.423800 1.0079 0 - 3642 H2O 542 H2O H2 3 0.423800 1.0079 0 - 3643 H2O 543 H2O O1 4 -0.847600 15.9994 0 - 3644 H2O 543 H2O H1 3 0.423800 1.0079 0 - 3645 H2O 543 H2O H2 3 0.423800 1.0079 0 - 3646 H2O 544 H2O O1 4 -0.847600 15.9994 0 - 3647 H2O 544 H2O H1 3 0.423800 1.0079 0 - 3648 H2O 544 H2O H2 3 0.423800 1.0079 0 - 3649 H2O 545 H2O O1 4 -0.847600 15.9994 0 - 3650 H2O 545 H2O H1 3 0.423800 1.0079 0 - 3651 H2O 545 H2O H2 3 0.423800 1.0079 0 - 3652 H2O 546 H2O O1 4 -0.847600 15.9994 0 - 3653 H2O 546 H2O H1 3 0.423800 1.0079 0 - 3654 H2O 546 H2O H2 3 0.423800 1.0079 0 - 3655 H2O 547 H2O O1 4 -0.847600 15.9994 0 - 3656 H2O 547 H2O H1 3 0.423800 1.0079 0 - 3657 H2O 547 H2O H2 3 0.423800 1.0079 0 - 3658 H2O 548 H2O O1 4 -0.847600 15.9994 0 - 3659 H2O 548 H2O H1 3 0.423800 1.0079 0 - 3660 H2O 548 H2O H2 3 0.423800 1.0079 0 - 3661 H2O 549 H2O O1 4 -0.847600 15.9994 0 - 3662 H2O 549 H2O H1 3 0.423800 1.0079 0 - 3663 H2O 549 H2O H2 3 0.423800 1.0079 0 - 3664 H2O 550 H2O O1 4 -0.847600 15.9994 0 - 3665 H2O 550 H2O H1 3 0.423800 1.0079 0 - 3666 H2O 550 H2O H2 3 0.423800 1.0079 0 - 3667 H2O 551 H2O O1 4 -0.847600 15.9994 0 - 3668 H2O 551 H2O H1 3 0.423800 1.0079 0 - 3669 H2O 551 H2O H2 3 0.423800 1.0079 0 - 3670 H2O 552 H2O O1 4 -0.847600 15.9994 0 - 3671 H2O 552 H2O H1 3 0.423800 1.0079 0 - 3672 H2O 552 H2O H2 3 0.423800 1.0079 0 - 3673 H2O 553 H2O O1 4 -0.847600 15.9994 0 - 3674 H2O 553 H2O H1 3 0.423800 1.0079 0 - 3675 H2O 553 H2O H2 3 0.423800 1.0079 0 - 3676 H2O 554 H2O O1 4 -0.847600 15.9994 0 - 3677 H2O 554 H2O H1 3 0.423800 1.0079 0 - 3678 H2O 554 H2O H2 3 0.423800 1.0079 0 - 3679 H2O 555 H2O O1 4 -0.847600 15.9994 0 - 3680 H2O 555 H2O H1 3 0.423800 1.0079 0 - 3681 H2O 555 H2O H2 3 0.423800 1.0079 0 - 3682 H2O 556 H2O O1 4 -0.847600 15.9994 0 - 3683 H2O 556 H2O H1 3 0.423800 1.0079 0 - 3684 H2O 556 H2O H2 3 0.423800 1.0079 0 - 3685 H2O 557 H2O O1 4 -0.847600 15.9994 0 - 3686 H2O 557 H2O H1 3 0.423800 1.0079 0 - 3687 H2O 557 H2O H2 3 0.423800 1.0079 0 - 3688 H2O 558 H2O O1 4 -0.847600 15.9994 0 - 3689 H2O 558 H2O H1 3 0.423800 1.0079 0 - 3690 H2O 558 H2O H2 3 0.423800 1.0079 0 - 3691 H2O 559 H2O O1 4 -0.847600 15.9994 0 - 3692 H2O 559 H2O H1 3 0.423800 1.0079 0 - 3693 H2O 559 H2O H2 3 0.423800 1.0079 0 - 3694 H2O 560 H2O O1 4 -0.847600 15.9994 0 - 3695 H2O 560 H2O H1 3 0.423800 1.0079 0 - 3696 H2O 560 H2O H2 3 0.423800 1.0079 0 - 3697 H2O 561 H2O O1 4 -0.847600 15.9994 0 - 3698 H2O 561 H2O H1 3 0.423800 1.0079 0 - 3699 H2O 561 H2O H2 3 0.423800 1.0079 0 - 3700 H2O 562 H2O O1 4 -0.847600 15.9994 0 - 3701 H2O 562 H2O H1 3 0.423800 1.0079 0 - 3702 H2O 562 H2O H2 3 0.423800 1.0079 0 - 3703 H2O 563 H2O O1 4 -0.847600 15.9994 0 - 3704 H2O 563 H2O H1 3 0.423800 1.0079 0 - 3705 H2O 563 H2O H2 3 0.423800 1.0079 0 - 3706 H2O 564 H2O O1 4 -0.847600 15.9994 0 - 3707 H2O 564 H2O H1 3 0.423800 1.0079 0 - 3708 H2O 564 H2O H2 3 0.423800 1.0079 0 - 3709 H2O 565 H2O O1 4 -0.847600 15.9994 0 - 3710 H2O 565 H2O H1 3 0.423800 1.0079 0 - 3711 H2O 565 H2O H2 3 0.423800 1.0079 0 - 3712 H2O 566 H2O O1 4 -0.847600 15.9994 0 - 3713 H2O 566 H2O H1 3 0.423800 1.0079 0 - 3714 H2O 566 H2O H2 3 0.423800 1.0079 0 - 3715 H2O 567 H2O O1 4 -0.847600 15.9994 0 - 3716 H2O 567 H2O H1 3 0.423800 1.0079 0 - 3717 H2O 567 H2O H2 3 0.423800 1.0079 0 - 3718 H2O 568 H2O O1 4 -0.847600 15.9994 0 - 3719 H2O 568 H2O H1 3 0.423800 1.0079 0 - 3720 H2O 568 H2O H2 3 0.423800 1.0079 0 - 3721 H2O 569 H2O O1 4 -0.847600 15.9994 0 - 3722 H2O 569 H2O H1 3 0.423800 1.0079 0 - 3723 H2O 569 H2O H2 3 0.423800 1.0079 0 - 3724 H2O 570 H2O O1 4 -0.847600 15.9994 0 - 3725 H2O 570 H2O H1 3 0.423800 1.0079 0 - 3726 H2O 570 H2O H2 3 0.423800 1.0079 0 - 3727 H2O 571 H2O O1 4 -0.847600 15.9994 0 - 3728 H2O 571 H2O H1 3 0.423800 1.0079 0 - 3729 H2O 571 H2O H2 3 0.423800 1.0079 0 - 3730 H2O 572 H2O O1 4 -0.847600 15.9994 0 - 3731 H2O 572 H2O H1 3 0.423800 1.0079 0 - 3732 H2O 572 H2O H2 3 0.423800 1.0079 0 - 3733 H2O 573 H2O O1 4 -0.847600 15.9994 0 - 3734 H2O 573 H2O H1 3 0.423800 1.0079 0 - 3735 H2O 573 H2O H2 3 0.423800 1.0079 0 - 3736 H2O 574 H2O O1 4 -0.847600 15.9994 0 - 3737 H2O 574 H2O H1 3 0.423800 1.0079 0 - 3738 H2O 574 H2O H2 3 0.423800 1.0079 0 - 3739 H2O 575 H2O O1 4 -0.847600 15.9994 0 - 3740 H2O 575 H2O H1 3 0.423800 1.0079 0 - 3741 H2O 575 H2O H2 3 0.423800 1.0079 0 - 3742 H2O 576 H2O O1 4 -0.847600 15.9994 0 - 3743 H2O 576 H2O H1 3 0.423800 1.0079 0 - 3744 H2O 576 H2O H2 3 0.423800 1.0079 0 - 3745 H2O 577 H2O O1 4 -0.847600 15.9994 0 - 3746 H2O 577 H2O H1 3 0.423800 1.0079 0 - 3747 H2O 577 H2O H2 3 0.423800 1.0079 0 - 3748 H2O 578 H2O O1 4 -0.847600 15.9994 0 - 3749 H2O 578 H2O H1 3 0.423800 1.0079 0 - 3750 H2O 578 H2O H2 3 0.423800 1.0079 0 - 3751 H2O 579 H2O O1 4 -0.847600 15.9994 0 - 3752 H2O 579 H2O H1 3 0.423800 1.0079 0 - 3753 H2O 579 H2O H2 3 0.423800 1.0079 0 - 3754 H2O 580 H2O O1 4 -0.847600 15.9994 0 - 3755 H2O 580 H2O H1 3 0.423800 1.0079 0 - 3756 H2O 580 H2O H2 3 0.423800 1.0079 0 - 3757 H2O 581 H2O O1 4 -0.847600 15.9994 0 - 3758 H2O 581 H2O H1 3 0.423800 1.0079 0 - 3759 H2O 581 H2O H2 3 0.423800 1.0079 0 - 3760 H2O 582 H2O O1 4 -0.847600 15.9994 0 - 3761 H2O 582 H2O H1 3 0.423800 1.0079 0 - 3762 H2O 582 H2O H2 3 0.423800 1.0079 0 - 3763 H2O 583 H2O O1 4 -0.847600 15.9994 0 - 3764 H2O 583 H2O H1 3 0.423800 1.0079 0 - 3765 H2O 583 H2O H2 3 0.423800 1.0079 0 - 3766 H2O 584 H2O O1 4 -0.847600 15.9994 0 - 3767 H2O 584 H2O H1 3 0.423800 1.0079 0 - 3768 H2O 584 H2O H2 3 0.423800 1.0079 0 - 3769 H2O 585 H2O O1 4 -0.847600 15.9994 0 - 3770 H2O 585 H2O H1 3 0.423800 1.0079 0 - 3771 H2O 585 H2O H2 3 0.423800 1.0079 0 - 3772 H2O 586 H2O O1 4 -0.847600 15.9994 0 - 3773 H2O 586 H2O H1 3 0.423800 1.0079 0 - 3774 H2O 586 H2O H2 3 0.423800 1.0079 0 - 3775 H2O 587 H2O O1 4 -0.847600 15.9994 0 - 3776 H2O 587 H2O H1 3 0.423800 1.0079 0 - 3777 H2O 587 H2O H2 3 0.423800 1.0079 0 - 3778 H2O 588 H2O O1 4 -0.847600 15.9994 0 - 3779 H2O 588 H2O H1 3 0.423800 1.0079 0 - 3780 H2O 588 H2O H2 3 0.423800 1.0079 0 - 3781 H2O 589 H2O O1 4 -0.847600 15.9994 0 - 3782 H2O 589 H2O H1 3 0.423800 1.0079 0 - 3783 H2O 589 H2O H2 3 0.423800 1.0079 0 - 3784 H2O 590 H2O O1 4 -0.847600 15.9994 0 - 3785 H2O 590 H2O H1 3 0.423800 1.0079 0 - 3786 H2O 590 H2O H2 3 0.423800 1.0079 0 - 3787 H2O 591 H2O O1 4 -0.847600 15.9994 0 - 3788 H2O 591 H2O H1 3 0.423800 1.0079 0 - 3789 H2O 591 H2O H2 3 0.423800 1.0079 0 - 3790 H2O 592 H2O O1 4 -0.847600 15.9994 0 - 3791 H2O 592 H2O H1 3 0.423800 1.0079 0 - 3792 H2O 592 H2O H2 3 0.423800 1.0079 0 - 3793 H2O 593 H2O O1 4 -0.847600 15.9994 0 - 3794 H2O 593 H2O H1 3 0.423800 1.0079 0 - 3795 H2O 593 H2O H2 3 0.423800 1.0079 0 - 3796 H2O 594 H2O O1 4 -0.847600 15.9994 0 - 3797 H2O 594 H2O H1 3 0.423800 1.0079 0 - 3798 H2O 594 H2O H2 3 0.423800 1.0079 0 - 3799 H2O 595 H2O O1 4 -0.847600 15.9994 0 - 3800 H2O 595 H2O H1 3 0.423800 1.0079 0 - 3801 H2O 595 H2O H2 3 0.423800 1.0079 0 - 3802 H2O 596 H2O O1 4 -0.847600 15.9994 0 - 3803 H2O 596 H2O H1 3 0.423800 1.0079 0 - 3804 H2O 596 H2O H2 3 0.423800 1.0079 0 - 3805 H2O 597 H2O O1 4 -0.847600 15.9994 0 - 3806 H2O 597 H2O H1 3 0.423800 1.0079 0 - 3807 H2O 597 H2O H2 3 0.423800 1.0079 0 - 3808 H2O 598 H2O O1 4 -0.847600 15.9994 0 - 3809 H2O 598 H2O H1 3 0.423800 1.0079 0 - 3810 H2O 598 H2O H2 3 0.423800 1.0079 0 - 3811 H2O 599 H2O O1 4 -0.847600 15.9994 0 - 3812 H2O 599 H2O H1 3 0.423800 1.0079 0 - 3813 H2O 599 H2O H2 3 0.423800 1.0079 0 - 3814 H2O 600 H2O O1 4 -0.847600 15.9994 0 - 3815 H2O 600 H2O H1 3 0.423800 1.0079 0 - 3816 H2O 600 H2O H2 3 0.423800 1.0079 0 - 3817 H2O 601 H2O O1 4 -0.847600 15.9994 0 - 3818 H2O 601 H2O H1 3 0.423800 1.0079 0 - 3819 H2O 601 H2O H2 3 0.423800 1.0079 0 - 3820 H2O 602 H2O O1 4 -0.847600 15.9994 0 - 3821 H2O 602 H2O H1 3 0.423800 1.0079 0 - 3822 H2O 602 H2O H2 3 0.423800 1.0079 0 - 3823 H2O 603 H2O O1 4 -0.847600 15.9994 0 - 3824 H2O 603 H2O H1 3 0.423800 1.0079 0 - 3825 H2O 603 H2O H2 3 0.423800 1.0079 0 - 3826 H2O 604 H2O O1 4 -0.847600 15.9994 0 - 3827 H2O 604 H2O H1 3 0.423800 1.0079 0 - 3828 H2O 604 H2O H2 3 0.423800 1.0079 0 - 3829 H2O 605 H2O O1 4 -0.847600 15.9994 0 - 3830 H2O 605 H2O H1 3 0.423800 1.0079 0 - 3831 H2O 605 H2O H2 3 0.423800 1.0079 0 - 3832 H2O 606 H2O O1 4 -0.847600 15.9994 0 - 3833 H2O 606 H2O H1 3 0.423800 1.0079 0 - 3834 H2O 606 H2O H2 3 0.423800 1.0079 0 - 3835 H2O 607 H2O O1 4 -0.847600 15.9994 0 - 3836 H2O 607 H2O H1 3 0.423800 1.0079 0 - 3837 H2O 607 H2O H2 3 0.423800 1.0079 0 - 3838 H2O 608 H2O O1 4 -0.847600 15.9994 0 - 3839 H2O 608 H2O H1 3 0.423800 1.0079 0 - 3840 H2O 608 H2O H2 3 0.423800 1.0079 0 - 3841 H2O 609 H2O O1 4 -0.847600 15.9994 0 - 3842 H2O 609 H2O H1 3 0.423800 1.0079 0 - 3843 H2O 609 H2O H2 3 0.423800 1.0079 0 - 3844 H2O 610 H2O O1 4 -0.847600 15.9994 0 - 3845 H2O 610 H2O H1 3 0.423800 1.0079 0 - 3846 H2O 610 H2O H2 3 0.423800 1.0079 0 - 3847 H2O 611 H2O O1 4 -0.847600 15.9994 0 - 3848 H2O 611 H2O H1 3 0.423800 1.0079 0 - 3849 H2O 611 H2O H2 3 0.423800 1.0079 0 - 3850 H2O 612 H2O O1 4 -0.847600 15.9994 0 - 3851 H2O 612 H2O H1 3 0.423800 1.0079 0 - 3852 H2O 612 H2O H2 3 0.423800 1.0079 0 - 3853 H2O 613 H2O O1 4 -0.847600 15.9994 0 - 3854 H2O 613 H2O H1 3 0.423800 1.0079 0 - 3855 H2O 613 H2O H2 3 0.423800 1.0079 0 - 3856 H2O 614 H2O O1 4 -0.847600 15.9994 0 - 3857 H2O 614 H2O H1 3 0.423800 1.0079 0 - 3858 H2O 614 H2O H2 3 0.423800 1.0079 0 - 3859 H2O 615 H2O O1 4 -0.847600 15.9994 0 - 3860 H2O 615 H2O H1 3 0.423800 1.0079 0 - 3861 H2O 615 H2O H2 3 0.423800 1.0079 0 - 3862 H2O 616 H2O O1 4 -0.847600 15.9994 0 - 3863 H2O 616 H2O H1 3 0.423800 1.0079 0 - 3864 H2O 616 H2O H2 3 0.423800 1.0079 0 - 3865 H2O 617 H2O O1 4 -0.847600 15.9994 0 - 3866 H2O 617 H2O H1 3 0.423800 1.0079 0 - 3867 H2O 617 H2O H2 3 0.423800 1.0079 0 - 3868 H2O 618 H2O O1 4 -0.847600 15.9994 0 - 3869 H2O 618 H2O H1 3 0.423800 1.0079 0 - 3870 H2O 618 H2O H2 3 0.423800 1.0079 0 - 3871 H2O 619 H2O O1 4 -0.847600 15.9994 0 - 3872 H2O 619 H2O H1 3 0.423800 1.0079 0 - 3873 H2O 619 H2O H2 3 0.423800 1.0079 0 - 3874 H2O 620 H2O O1 4 -0.847600 15.9994 0 - 3875 H2O 620 H2O H1 3 0.423800 1.0079 0 - 3876 H2O 620 H2O H2 3 0.423800 1.0079 0 - 3877 H2O 621 H2O O1 4 -0.847600 15.9994 0 - 3878 H2O 621 H2O H1 3 0.423800 1.0079 0 - 3879 H2O 621 H2O H2 3 0.423800 1.0079 0 - 3880 H2O 622 H2O O1 4 -0.847600 15.9994 0 - 3881 H2O 622 H2O H1 3 0.423800 1.0079 0 - 3882 H2O 622 H2O H2 3 0.423800 1.0079 0 - 3883 H2O 623 H2O O1 4 -0.847600 15.9994 0 - 3884 H2O 623 H2O H1 3 0.423800 1.0079 0 - 3885 H2O 623 H2O H2 3 0.423800 1.0079 0 - 3886 H2O 624 H2O O1 4 -0.847600 15.9994 0 - 3887 H2O 624 H2O H1 3 0.423800 1.0079 0 - 3888 H2O 624 H2O H2 3 0.423800 1.0079 0 - 3889 H2O 625 H2O O1 4 -0.847600 15.9994 0 - 3890 H2O 625 H2O H1 3 0.423800 1.0079 0 - 3891 H2O 625 H2O H2 3 0.423800 1.0079 0 - 3892 H2O 626 H2O O1 4 -0.847600 15.9994 0 - 3893 H2O 626 H2O H1 3 0.423800 1.0079 0 - 3894 H2O 626 H2O H2 3 0.423800 1.0079 0 - 3895 H2O 627 H2O O1 4 -0.847600 15.9994 0 - 3896 H2O 627 H2O H1 3 0.423800 1.0079 0 - 3897 H2O 627 H2O H2 3 0.423800 1.0079 0 - 3898 H2O 628 H2O O1 4 -0.847600 15.9994 0 - 3899 H2O 628 H2O H1 3 0.423800 1.0079 0 - 3900 H2O 628 H2O H2 3 0.423800 1.0079 0 - 3901 H2O 629 H2O O1 4 -0.847600 15.9994 0 - 3902 H2O 629 H2O H1 3 0.423800 1.0079 0 - 3903 H2O 629 H2O H2 3 0.423800 1.0079 0 - 3904 H2O 630 H2O O1 4 -0.847600 15.9994 0 - 3905 H2O 630 H2O H1 3 0.423800 1.0079 0 - 3906 H2O 630 H2O H2 3 0.423800 1.0079 0 - 3907 H2O 631 H2O O1 4 -0.847600 15.9994 0 - 3908 H2O 631 H2O H1 3 0.423800 1.0079 0 - 3909 H2O 631 H2O H2 3 0.423800 1.0079 0 - 3910 H2O 632 H2O O1 4 -0.847600 15.9994 0 - 3911 H2O 632 H2O H1 3 0.423800 1.0079 0 - 3912 H2O 632 H2O H2 3 0.423800 1.0079 0 - 3913 H2O 633 H2O O1 4 -0.847600 15.9994 0 - 3914 H2O 633 H2O H1 3 0.423800 1.0079 0 - 3915 H2O 633 H2O H2 3 0.423800 1.0079 0 - 3916 H2O 634 H2O O1 4 -0.847600 15.9994 0 - 3917 H2O 634 H2O H1 3 0.423800 1.0079 0 - 3918 H2O 634 H2O H2 3 0.423800 1.0079 0 - 3919 H2O 635 H2O O1 4 -0.847600 15.9994 0 - 3920 H2O 635 H2O H1 3 0.423800 1.0079 0 - 3921 H2O 635 H2O H2 3 0.423800 1.0079 0 - 3922 H2O 636 H2O O1 4 -0.847600 15.9994 0 - 3923 H2O 636 H2O H1 3 0.423800 1.0079 0 - 3924 H2O 636 H2O H2 3 0.423800 1.0079 0 - 3925 H2O 637 H2O O1 4 -0.847600 15.9994 0 - 3926 H2O 637 H2O H1 3 0.423800 1.0079 0 - 3927 H2O 637 H2O H2 3 0.423800 1.0079 0 - 3928 H2O 638 H2O O1 4 -0.847600 15.9994 0 - 3929 H2O 638 H2O H1 3 0.423800 1.0079 0 - 3930 H2O 638 H2O H2 3 0.423800 1.0079 0 - 3931 H2O 639 H2O O1 4 -0.847600 15.9994 0 - 3932 H2O 639 H2O H1 3 0.423800 1.0079 0 - 3933 H2O 639 H2O H2 3 0.423800 1.0079 0 - 3934 H2O 640 H2O O1 4 -0.847600 15.9994 0 - 3935 H2O 640 H2O H1 3 0.423800 1.0079 0 - 3936 H2O 640 H2O H2 3 0.423800 1.0079 0 - 3937 H2O 641 H2O O1 4 -0.847600 15.9994 0 - 3938 H2O 641 H2O H1 3 0.423800 1.0079 0 - 3939 H2O 641 H2O H2 3 0.423800 1.0079 0 - 3940 H2O 642 H2O O1 4 -0.847600 15.9994 0 - 3941 H2O 642 H2O H1 3 0.423800 1.0079 0 - 3942 H2O 642 H2O H2 3 0.423800 1.0079 0 - 3943 H2O 643 H2O O1 4 -0.847600 15.9994 0 - 3944 H2O 643 H2O H1 3 0.423800 1.0079 0 - 3945 H2O 643 H2O H2 3 0.423800 1.0079 0 - 3946 H2O 644 H2O O1 4 -0.847600 15.9994 0 - 3947 H2O 644 H2O H1 3 0.423800 1.0079 0 - 3948 H2O 644 H2O H2 3 0.423800 1.0079 0 - 3949 H2O 645 H2O O1 4 -0.847600 15.9994 0 - 3950 H2O 645 H2O H1 3 0.423800 1.0079 0 - 3951 H2O 645 H2O H2 3 0.423800 1.0079 0 - 3952 H2O 646 H2O O1 4 -0.847600 15.9994 0 - 3953 H2O 646 H2O H1 3 0.423800 1.0079 0 - 3954 H2O 646 H2O H2 3 0.423800 1.0079 0 - 3955 H2O 647 H2O O1 4 -0.847600 15.9994 0 - 3956 H2O 647 H2O H1 3 0.423800 1.0079 0 - 3957 H2O 647 H2O H2 3 0.423800 1.0079 0 - 3958 H2O 648 H2O O1 4 -0.847600 15.9994 0 - 3959 H2O 648 H2O H1 3 0.423800 1.0079 0 - 3960 H2O 648 H2O H2 3 0.423800 1.0079 0 - 3961 H2O 649 H2O O1 4 -0.847600 15.9994 0 - 3962 H2O 649 H2O H1 3 0.423800 1.0079 0 - 3963 H2O 649 H2O H2 3 0.423800 1.0079 0 - 3964 H2O 650 H2O O1 4 -0.847600 15.9994 0 - 3965 H2O 650 H2O H1 3 0.423800 1.0079 0 - 3966 H2O 650 H2O H2 3 0.423800 1.0079 0 - 3967 H2O 651 H2O O1 4 -0.847600 15.9994 0 - 3968 H2O 651 H2O H1 3 0.423800 1.0079 0 - 3969 H2O 651 H2O H2 3 0.423800 1.0079 0 - 3970 H2O 652 H2O O1 4 -0.847600 15.9994 0 - 3971 H2O 652 H2O H1 3 0.423800 1.0079 0 - 3972 H2O 652 H2O H2 3 0.423800 1.0079 0 - 3973 H2O 653 H2O O1 4 -0.847600 15.9994 0 - 3974 H2O 653 H2O H1 3 0.423800 1.0079 0 - 3975 H2O 653 H2O H2 3 0.423800 1.0079 0 - 3976 H2O 654 H2O O1 4 -0.847600 15.9994 0 - 3977 H2O 654 H2O H1 3 0.423800 1.0079 0 - 3978 H2O 654 H2O H2 3 0.423800 1.0079 0 - 3979 H2O 655 H2O O1 4 -0.847600 15.9994 0 - 3980 H2O 655 H2O H1 3 0.423800 1.0079 0 - 3981 H2O 655 H2O H2 3 0.423800 1.0079 0 - 3982 H2O 656 H2O O1 4 -0.847600 15.9994 0 - 3983 H2O 656 H2O H1 3 0.423800 1.0079 0 - 3984 H2O 656 H2O H2 3 0.423800 1.0079 0 - 3985 H2O 657 H2O O1 4 -0.847600 15.9994 0 - 3986 H2O 657 H2O H1 3 0.423800 1.0079 0 - 3987 H2O 657 H2O H2 3 0.423800 1.0079 0 - 3988 H2O 658 H2O O1 4 -0.847600 15.9994 0 - 3989 H2O 658 H2O H1 3 0.423800 1.0079 0 - 3990 H2O 658 H2O H2 3 0.423800 1.0079 0 - 3991 H2O 659 H2O O1 4 -0.847600 15.9994 0 - 3992 H2O 659 H2O H1 3 0.423800 1.0079 0 - 3993 H2O 659 H2O H2 3 0.423800 1.0079 0 - 3994 H2O 660 H2O O1 4 -0.847600 15.9994 0 - 3995 H2O 660 H2O H1 3 0.423800 1.0079 0 - 3996 H2O 660 H2O H2 3 0.423800 1.0079 0 - 3997 H2O 661 H2O O1 4 -0.847600 15.9994 0 - 3998 H2O 661 H2O H1 3 0.423800 1.0079 0 - 3999 H2O 661 H2O H2 3 0.423800 1.0079 0 - 4000 H2O 662 H2O O1 4 -0.847600 15.9994 0 - 4001 H2O 662 H2O H1 3 0.423800 1.0079 0 - 4002 H2O 662 H2O H2 3 0.423800 1.0079 0 - 4003 H2O 663 H2O O1 4 -0.847600 15.9994 0 - 4004 H2O 663 H2O H1 3 0.423800 1.0079 0 - 4005 H2O 663 H2O H2 3 0.423800 1.0079 0 - 4006 H2O 664 H2O O1 4 -0.847600 15.9994 0 - 4007 H2O 664 H2O H1 3 0.423800 1.0079 0 - 4008 H2O 664 H2O H2 3 0.423800 1.0079 0 - 4009 H2O 665 H2O O1 4 -0.847600 15.9994 0 - 4010 H2O 665 H2O H1 3 0.423800 1.0079 0 - 4011 H2O 665 H2O H2 3 0.423800 1.0079 0 - 4012 H2O 666 H2O O1 4 -0.847600 15.9994 0 - 4013 H2O 666 H2O H1 3 0.423800 1.0079 0 - 4014 H2O 666 H2O H2 3 0.423800 1.0079 0 - 4015 H2O 667 H2O O1 4 -0.847600 15.9994 0 - 4016 H2O 667 H2O H1 3 0.423800 1.0079 0 - 4017 H2O 667 H2O H2 3 0.423800 1.0079 0 - 4018 H2O 668 H2O O1 4 -0.847600 15.9994 0 - 4019 H2O 668 H2O H1 3 0.423800 1.0079 0 - 4020 H2O 668 H2O H2 3 0.423800 1.0079 0 - 4021 H2O 669 H2O O1 4 -0.847600 15.9994 0 - 4022 H2O 669 H2O H1 3 0.423800 1.0079 0 - 4023 H2O 669 H2O H2 3 0.423800 1.0079 0 - 4024 H2O 670 H2O O1 4 -0.847600 15.9994 0 - 4025 H2O 670 H2O H1 3 0.423800 1.0079 0 - 4026 H2O 670 H2O H2 3 0.423800 1.0079 0 - 4027 H2O 671 H2O O1 4 -0.847600 15.9994 0 - 4028 H2O 671 H2O H1 3 0.423800 1.0079 0 - 4029 H2O 671 H2O H2 3 0.423800 1.0079 0 - 4030 H2O 672 H2O O1 4 -0.847600 15.9994 0 - 4031 H2O 672 H2O H1 3 0.423800 1.0079 0 - 4032 H2O 672 H2O H2 3 0.423800 1.0079 0 - 4033 H2O 673 H2O O1 4 -0.847600 15.9994 0 - 4034 H2O 673 H2O H1 3 0.423800 1.0079 0 - 4035 H2O 673 H2O H2 3 0.423800 1.0079 0 - 4036 H2O 674 H2O O1 4 -0.847600 15.9994 0 - 4037 H2O 674 H2O H1 3 0.423800 1.0079 0 - 4038 H2O 674 H2O H2 3 0.423800 1.0079 0 - 4039 H2O 675 H2O O1 4 -0.847600 15.9994 0 - 4040 H2O 675 H2O H1 3 0.423800 1.0079 0 - 4041 H2O 675 H2O H2 3 0.423800 1.0079 0 - 4042 H2O 676 H2O O1 4 -0.847600 15.9994 0 - 4043 H2O 676 H2O H1 3 0.423800 1.0079 0 - 4044 H2O 676 H2O H2 3 0.423800 1.0079 0 - 4045 H2O 677 H2O O1 4 -0.847600 15.9994 0 - 4046 H2O 677 H2O H1 3 0.423800 1.0079 0 - 4047 H2O 677 H2O H2 3 0.423800 1.0079 0 - 4048 H2O 678 H2O O1 4 -0.847600 15.9994 0 - 4049 H2O 678 H2O H1 3 0.423800 1.0079 0 - 4050 H2O 678 H2O H2 3 0.423800 1.0079 0 - 4051 H2O 679 H2O O1 4 -0.847600 15.9994 0 - 4052 H2O 679 H2O H1 3 0.423800 1.0079 0 - 4053 H2O 679 H2O H2 3 0.423800 1.0079 0 - 4054 H2O 680 H2O O1 4 -0.847600 15.9994 0 - 4055 H2O 680 H2O H1 3 0.423800 1.0079 0 - 4056 H2O 680 H2O H2 3 0.423800 1.0079 0 - 4057 H2O 681 H2O O1 4 -0.847600 15.9994 0 - 4058 H2O 681 H2O H1 3 0.423800 1.0079 0 - 4059 H2O 681 H2O H2 3 0.423800 1.0079 0 - 4060 H2O 682 H2O O1 4 -0.847600 15.9994 0 - 4061 H2O 682 H2O H1 3 0.423800 1.0079 0 - 4062 H2O 682 H2O H2 3 0.423800 1.0079 0 - 4063 H2O 683 H2O O1 4 -0.847600 15.9994 0 - 4064 H2O 683 H2O H1 3 0.423800 1.0079 0 - 4065 H2O 683 H2O H2 3 0.423800 1.0079 0 - 4066 H2O 684 H2O O1 4 -0.847600 15.9994 0 - 4067 H2O 684 H2O H1 3 0.423800 1.0079 0 - 4068 H2O 684 H2O H2 3 0.423800 1.0079 0 - 4069 H2O 685 H2O O1 4 -0.847600 15.9994 0 - 4070 H2O 685 H2O H1 3 0.423800 1.0079 0 - 4071 H2O 685 H2O H2 3 0.423800 1.0079 0 - 4072 H2O 686 H2O O1 4 -0.847600 15.9994 0 - 4073 H2O 686 H2O H1 3 0.423800 1.0079 0 - 4074 H2O 686 H2O H2 3 0.423800 1.0079 0 - 4075 H2O 687 H2O O1 4 -0.847600 15.9994 0 - 4076 H2O 687 H2O H1 3 0.423800 1.0079 0 - 4077 H2O 687 H2O H2 3 0.423800 1.0079 0 - 4078 H2O 688 H2O O1 4 -0.847600 15.9994 0 - 4079 H2O 688 H2O H1 3 0.423800 1.0079 0 - 4080 H2O 688 H2O H2 3 0.423800 1.0079 0 - 4081 H2O 689 H2O O1 4 -0.847600 15.9994 0 - 4082 H2O 689 H2O H1 3 0.423800 1.0079 0 - 4083 H2O 689 H2O H2 3 0.423800 1.0079 0 - 4084 H2O 690 H2O O1 4 -0.847600 15.9994 0 - 4085 H2O 690 H2O H1 3 0.423800 1.0079 0 - 4086 H2O 690 H2O H2 3 0.423800 1.0079 0 - 4087 H2O 691 H2O O1 4 -0.847600 15.9994 0 - 4088 H2O 691 H2O H1 3 0.423800 1.0079 0 - 4089 H2O 691 H2O H2 3 0.423800 1.0079 0 - 4090 H2O 692 H2O O1 4 -0.847600 15.9994 0 - 4091 H2O 692 H2O H1 3 0.423800 1.0079 0 - 4092 H2O 692 H2O H2 3 0.423800 1.0079 0 - 4093 H2O 693 H2O O1 4 -0.847600 15.9994 0 - 4094 H2O 693 H2O H1 3 0.423800 1.0079 0 - 4095 H2O 693 H2O H2 3 0.423800 1.0079 0 - 4096 H2O 694 H2O O1 4 -0.847600 15.9994 0 - 4097 H2O 694 H2O H1 3 0.423800 1.0079 0 - 4098 H2O 694 H2O H2 3 0.423800 1.0079 0 - 4099 H2O 695 H2O O1 4 -0.847600 15.9994 0 - 4100 H2O 695 H2O H1 3 0.423800 1.0079 0 - 4101 H2O 695 H2O H2 3 0.423800 1.0079 0 - 4102 H2O 696 H2O O1 4 -0.847600 15.9994 0 - 4103 H2O 696 H2O H1 3 0.423800 1.0079 0 - 4104 H2O 696 H2O H2 3 0.423800 1.0079 0 - 4105 H2O 697 H2O O1 4 -0.847600 15.9994 0 - 4106 H2O 697 H2O H1 3 0.423800 1.0079 0 - 4107 H2O 697 H2O H2 3 0.423800 1.0079 0 - 4108 H2O 698 H2O O1 4 -0.847600 15.9994 0 - 4109 H2O 698 H2O H1 3 0.423800 1.0079 0 - 4110 H2O 698 H2O H2 3 0.423800 1.0079 0 - 4111 H2O 699 H2O O1 4 -0.847600 15.9994 0 - 4112 H2O 699 H2O H1 3 0.423800 1.0079 0 - 4113 H2O 699 H2O H2 3 0.423800 1.0079 0 - 4114 H2O 700 H2O O1 4 -0.847600 15.9994 0 - 4115 H2O 700 H2O H1 3 0.423800 1.0079 0 - 4116 H2O 700 H2O H2 3 0.423800 1.0079 0 - 4117 H2O 701 H2O O1 4 -0.847600 15.9994 0 - 4118 H2O 701 H2O H1 3 0.423800 1.0079 0 - 4119 H2O 701 H2O H2 3 0.423800 1.0079 0 - 4120 H2O 702 H2O O1 4 -0.847600 15.9994 0 - 4121 H2O 702 H2O H1 3 0.423800 1.0079 0 - 4122 H2O 702 H2O H2 3 0.423800 1.0079 0 - 4123 H2O 703 H2O O1 4 -0.847600 15.9994 0 - 4124 H2O 703 H2O H1 3 0.423800 1.0079 0 - 4125 H2O 703 H2O H2 3 0.423800 1.0079 0 - 4126 H2O 704 H2O O1 4 -0.847600 15.9994 0 - 4127 H2O 704 H2O H1 3 0.423800 1.0079 0 - 4128 H2O 704 H2O H2 3 0.423800 1.0079 0 - 4129 H2O 705 H2O O1 4 -0.847600 15.9994 0 - 4130 H2O 705 H2O H1 3 0.423800 1.0079 0 - 4131 H2O 705 H2O H2 3 0.423800 1.0079 0 - 4132 H2O 706 H2O O1 4 -0.847600 15.9994 0 - 4133 H2O 706 H2O H1 3 0.423800 1.0079 0 - 4134 H2O 706 H2O H2 3 0.423800 1.0079 0 - 4135 H2O 707 H2O O1 4 -0.847600 15.9994 0 - 4136 H2O 707 H2O H1 3 0.423800 1.0079 0 - 4137 H2O 707 H2O H2 3 0.423800 1.0079 0 - 4138 H2O 708 H2O O1 4 -0.847600 15.9994 0 - 4139 H2O 708 H2O H1 3 0.423800 1.0079 0 - 4140 H2O 708 H2O H2 3 0.423800 1.0079 0 - 4141 H2O 709 H2O O1 4 -0.847600 15.9994 0 - 4142 H2O 709 H2O H1 3 0.423800 1.0079 0 - 4143 H2O 709 H2O H2 3 0.423800 1.0079 0 - 4144 H2O 710 H2O O1 4 -0.847600 15.9994 0 - 4145 H2O 710 H2O H1 3 0.423800 1.0079 0 - 4146 H2O 710 H2O H2 3 0.423800 1.0079 0 - 4147 H2O 711 H2O O1 4 -0.847600 15.9994 0 - 4148 H2O 711 H2O H1 3 0.423800 1.0079 0 - 4149 H2O 711 H2O H2 3 0.423800 1.0079 0 - 4150 H2O 712 H2O O1 4 -0.847600 15.9994 0 - 4151 H2O 712 H2O H1 3 0.423800 1.0079 0 - 4152 H2O 712 H2O H2 3 0.423800 1.0079 0 - 4153 H2O 713 H2O O1 4 -0.847600 15.9994 0 - 4154 H2O 713 H2O H1 3 0.423800 1.0079 0 - 4155 H2O 713 H2O H2 3 0.423800 1.0079 0 - 4156 H2O 714 H2O O1 4 -0.847600 15.9994 0 - 4157 H2O 714 H2O H1 3 0.423800 1.0079 0 - 4158 H2O 714 H2O H2 3 0.423800 1.0079 0 - 4159 H2O 715 H2O O1 4 -0.847600 15.9994 0 - 4160 H2O 715 H2O H1 3 0.423800 1.0079 0 - 4161 H2O 715 H2O H2 3 0.423800 1.0079 0 - 4162 H2O 716 H2O O1 4 -0.847600 15.9994 0 - 4163 H2O 716 H2O H1 3 0.423800 1.0079 0 - 4164 H2O 716 H2O H2 3 0.423800 1.0079 0 - 4165 H2O 717 H2O O1 4 -0.847600 15.9994 0 - 4166 H2O 717 H2O H1 3 0.423800 1.0079 0 - 4167 H2O 717 H2O H2 3 0.423800 1.0079 0 - 4168 H2O 718 H2O O1 4 -0.847600 15.9994 0 - 4169 H2O 718 H2O H1 3 0.423800 1.0079 0 - 4170 H2O 718 H2O H2 3 0.423800 1.0079 0 - 4171 H2O 719 H2O O1 4 -0.847600 15.9994 0 - 4172 H2O 719 H2O H1 3 0.423800 1.0079 0 - 4173 H2O 719 H2O H2 3 0.423800 1.0079 0 - 4174 H2O 720 H2O O1 4 -0.847600 15.9994 0 - 4175 H2O 720 H2O H1 3 0.423800 1.0079 0 - 4176 H2O 720 H2O H2 3 0.423800 1.0079 0 - 4177 H2O 721 H2O O1 4 -0.847600 15.9994 0 - 4178 H2O 721 H2O H1 3 0.423800 1.0079 0 - 4179 H2O 721 H2O H2 3 0.423800 1.0079 0 - 4180 H2O 722 H2O O1 4 -0.847600 15.9994 0 - 4181 H2O 722 H2O H1 3 0.423800 1.0079 0 - 4182 H2O 722 H2O H2 3 0.423800 1.0079 0 - 4183 H2O 723 H2O O1 4 -0.847600 15.9994 0 - 4184 H2O 723 H2O H1 3 0.423800 1.0079 0 - 4185 H2O 723 H2O H2 3 0.423800 1.0079 0 - 4186 H2O 724 H2O O1 4 -0.847600 15.9994 0 - 4187 H2O 724 H2O H1 3 0.423800 1.0079 0 - 4188 H2O 724 H2O H2 3 0.423800 1.0079 0 - 4189 H2O 725 H2O O1 4 -0.847600 15.9994 0 - 4190 H2O 725 H2O H1 3 0.423800 1.0079 0 - 4191 H2O 725 H2O H2 3 0.423800 1.0079 0 - 4192 H2O 726 H2O O1 4 -0.847600 15.9994 0 - 4193 H2O 726 H2O H1 3 0.423800 1.0079 0 - 4194 H2O 726 H2O H2 3 0.423800 1.0079 0 - 4195 H2O 727 H2O O1 4 -0.847600 15.9994 0 - 4196 H2O 727 H2O H1 3 0.423800 1.0079 0 - 4197 H2O 727 H2O H2 3 0.423800 1.0079 0 - 4198 H2O 728 H2O O1 4 -0.847600 15.9994 0 - 4199 H2O 728 H2O H1 3 0.423800 1.0079 0 - 4200 H2O 728 H2O H2 3 0.423800 1.0079 0 - 4201 H2O 729 H2O O1 4 -0.847600 15.9994 0 - 4202 H2O 729 H2O H1 3 0.423800 1.0079 0 - 4203 H2O 729 H2O H2 3 0.423800 1.0079 0 - 4204 H2O 730 H2O O1 4 -0.847600 15.9994 0 - 4205 H2O 730 H2O H1 3 0.423800 1.0079 0 - 4206 H2O 730 H2O H2 3 0.423800 1.0079 0 - 4207 H2O 731 H2O O1 4 -0.847600 15.9994 0 - 4208 H2O 731 H2O H1 3 0.423800 1.0079 0 - 4209 H2O 731 H2O H2 3 0.423800 1.0079 0 - 4210 H2O 732 H2O O1 4 -0.847600 15.9994 0 - 4211 H2O 732 H2O H1 3 0.423800 1.0079 0 - 4212 H2O 732 H2O H2 3 0.423800 1.0079 0 - 4213 H2O 733 H2O O1 4 -0.847600 15.9994 0 - 4214 H2O 733 H2O H1 3 0.423800 1.0079 0 - 4215 H2O 733 H2O H2 3 0.423800 1.0079 0 - 4216 H2O 734 H2O O1 4 -0.847600 15.9994 0 - 4217 H2O 734 H2O H1 3 0.423800 1.0079 0 - 4218 H2O 734 H2O H2 3 0.423800 1.0079 0 - 4219 H2O 735 H2O O1 4 -0.847600 15.9994 0 - 4220 H2O 735 H2O H1 3 0.423800 1.0079 0 - 4221 H2O 735 H2O H2 3 0.423800 1.0079 0 - 4222 H2O 736 H2O O1 4 -0.847600 15.9994 0 - 4223 H2O 736 H2O H1 3 0.423800 1.0079 0 - 4224 H2O 736 H2O H2 3 0.423800 1.0079 0 - 4225 H2O 737 H2O O1 4 -0.847600 15.9994 0 - 4226 H2O 737 H2O H1 3 0.423800 1.0079 0 - 4227 H2O 737 H2O H2 3 0.423800 1.0079 0 - 4228 H2O 738 H2O O1 4 -0.847600 15.9994 0 - 4229 H2O 738 H2O H1 3 0.423800 1.0079 0 - 4230 H2O 738 H2O H2 3 0.423800 1.0079 0 - 4231 H2O 739 H2O O1 4 -0.847600 15.9994 0 - 4232 H2O 739 H2O H1 3 0.423800 1.0079 0 - 4233 H2O 739 H2O H2 3 0.423800 1.0079 0 - 4234 H2O 740 H2O O1 4 -0.847600 15.9994 0 - 4235 H2O 740 H2O H1 3 0.423800 1.0079 0 - 4236 H2O 740 H2O H2 3 0.423800 1.0079 0 - 4237 H2O 741 H2O O1 4 -0.847600 15.9994 0 - 4238 H2O 741 H2O H1 3 0.423800 1.0079 0 - 4239 H2O 741 H2O H2 3 0.423800 1.0079 0 - 4240 H2O 742 H2O O1 4 -0.847600 15.9994 0 - 4241 H2O 742 H2O H1 3 0.423800 1.0079 0 - 4242 H2O 742 H2O H2 3 0.423800 1.0079 0 - 4243 H2O 743 H2O O1 4 -0.847600 15.9994 0 - 4244 H2O 743 H2O H1 3 0.423800 1.0079 0 - 4245 H2O 743 H2O H2 3 0.423800 1.0079 0 - 4246 H2O 744 H2O O1 4 -0.847600 15.9994 0 - 4247 H2O 744 H2O H1 3 0.423800 1.0079 0 - 4248 H2O 744 H2O H2 3 0.423800 1.0079 0 - 4249 H2O 745 H2O O1 4 -0.847600 15.9994 0 - 4250 H2O 745 H2O H1 3 0.423800 1.0079 0 - 4251 H2O 745 H2O H2 3 0.423800 1.0079 0 - 4252 H2O 746 H2O O1 4 -0.847600 15.9994 0 - 4253 H2O 746 H2O H1 3 0.423800 1.0079 0 - 4254 H2O 746 H2O H2 3 0.423800 1.0079 0 - 4255 H2O 747 H2O O1 4 -0.847600 15.9994 0 - 4256 H2O 747 H2O H1 3 0.423800 1.0079 0 - 4257 H2O 747 H2O H2 3 0.423800 1.0079 0 - 4258 H2O 748 H2O O1 4 -0.847600 15.9994 0 - 4259 H2O 748 H2O H1 3 0.423800 1.0079 0 - 4260 H2O 748 H2O H2 3 0.423800 1.0079 0 - 4261 H2O 749 H2O O1 4 -0.847600 15.9994 0 - 4262 H2O 749 H2O H1 3 0.423800 1.0079 0 - 4263 H2O 749 H2O H2 3 0.423800 1.0079 0 - 4264 H2O 750 H2O O1 4 -0.847600 15.9994 0 - 4265 H2O 750 H2O H1 3 0.423800 1.0079 0 - 4266 H2O 750 H2O H2 3 0.423800 1.0079 0 - 4267 H2O 751 H2O O1 4 -0.847600 15.9994 0 - 4268 H2O 751 H2O H1 3 0.423800 1.0079 0 - 4269 H2O 751 H2O H2 3 0.423800 1.0079 0 - 4270 H2O 752 H2O O1 4 -0.847600 15.9994 0 - 4271 H2O 752 H2O H1 3 0.423800 1.0079 0 - 4272 H2O 752 H2O H2 3 0.423800 1.0079 0 - 4273 H2O 753 H2O O1 4 -0.847600 15.9994 0 - 4274 H2O 753 H2O H1 3 0.423800 1.0079 0 - 4275 H2O 753 H2O H2 3 0.423800 1.0079 0 - 4276 H2O 754 H2O O1 4 -0.847600 15.9994 0 - 4277 H2O 754 H2O H1 3 0.423800 1.0079 0 - 4278 H2O 754 H2O H2 3 0.423800 1.0079 0 - 4279 H2O 755 H2O O1 4 -0.847600 15.9994 0 - 4280 H2O 755 H2O H1 3 0.423800 1.0079 0 - 4281 H2O 755 H2O H2 3 0.423800 1.0079 0 - 4282 H2O 756 H2O O1 4 -0.847600 15.9994 0 - 4283 H2O 756 H2O H1 3 0.423800 1.0079 0 - 4284 H2O 756 H2O H2 3 0.423800 1.0079 0 - 4285 H2O 757 H2O O1 4 -0.847600 15.9994 0 - 4286 H2O 757 H2O H1 3 0.423800 1.0079 0 - 4287 H2O 757 H2O H2 3 0.423800 1.0079 0 - 4288 H2O 758 H2O O1 4 -0.847600 15.9994 0 - 4289 H2O 758 H2O H1 3 0.423800 1.0079 0 - 4290 H2O 758 H2O H2 3 0.423800 1.0079 0 - 4291 H2O 759 H2O O1 4 -0.847600 15.9994 0 - 4292 H2O 759 H2O H1 3 0.423800 1.0079 0 - 4293 H2O 759 H2O H2 3 0.423800 1.0079 0 - 4294 H2O 760 H2O O1 4 -0.847600 15.9994 0 - 4295 H2O 760 H2O H1 3 0.423800 1.0079 0 - 4296 H2O 760 H2O H2 3 0.423800 1.0079 0 - 4297 H2O 761 H2O O1 4 -0.847600 15.9994 0 - 4298 H2O 761 H2O H1 3 0.423800 1.0079 0 - 4299 H2O 761 H2O H2 3 0.423800 1.0079 0 - 4300 H2O 762 H2O O1 4 -0.847600 15.9994 0 - 4301 H2O 762 H2O H1 3 0.423800 1.0079 0 - 4302 H2O 762 H2O H2 3 0.423800 1.0079 0 - 4303 H2O 763 H2O O1 4 -0.847600 15.9994 0 - 4304 H2O 763 H2O H1 3 0.423800 1.0079 0 - 4305 H2O 763 H2O H2 3 0.423800 1.0079 0 - 4306 H2O 764 H2O O1 4 -0.847600 15.9994 0 - 4307 H2O 764 H2O H1 3 0.423800 1.0079 0 - 4308 H2O 764 H2O H2 3 0.423800 1.0079 0 - 4309 H2O 765 H2O O1 4 -0.847600 15.9994 0 - 4310 H2O 765 H2O H1 3 0.423800 1.0079 0 - 4311 H2O 765 H2O H2 3 0.423800 1.0079 0 - 4312 H2O 766 H2O O1 4 -0.847600 15.9994 0 - 4313 H2O 766 H2O H1 3 0.423800 1.0079 0 - 4314 H2O 766 H2O H2 3 0.423800 1.0079 0 - 4315 H2O 767 H2O O1 4 -0.847600 15.9994 0 - 4316 H2O 767 H2O H1 3 0.423800 1.0079 0 - 4317 H2O 767 H2O H2 3 0.423800 1.0079 0 - 4318 H2O 768 H2O O1 4 -0.847600 15.9994 0 - 4319 H2O 768 H2O H1 3 0.423800 1.0079 0 - 4320 H2O 768 H2O H2 3 0.423800 1.0079 0 - 4321 H2O 769 H2O O1 4 -0.847600 15.9994 0 - 4322 H2O 769 H2O H1 3 0.423800 1.0079 0 - 4323 H2O 769 H2O H2 3 0.423800 1.0079 0 - 4324 H2O 770 H2O O1 4 -0.847600 15.9994 0 - 4325 H2O 770 H2O H1 3 0.423800 1.0079 0 - 4326 H2O 770 H2O H2 3 0.423800 1.0079 0 - 4327 H2O 771 H2O O1 4 -0.847600 15.9994 0 - 4328 H2O 771 H2O H1 3 0.423800 1.0079 0 - 4329 H2O 771 H2O H2 3 0.423800 1.0079 0 - 4330 H2O 772 H2O O1 4 -0.847600 15.9994 0 - 4331 H2O 772 H2O H1 3 0.423800 1.0079 0 - 4332 H2O 772 H2O H2 3 0.423800 1.0079 0 - 4333 H2O 773 H2O O1 4 -0.847600 15.9994 0 - 4334 H2O 773 H2O H1 3 0.423800 1.0079 0 - 4335 H2O 773 H2O H2 3 0.423800 1.0079 0 - 4336 H2O 774 H2O O1 4 -0.847600 15.9994 0 - 4337 H2O 774 H2O H1 3 0.423800 1.0079 0 - 4338 H2O 774 H2O H2 3 0.423800 1.0079 0 - 4339 H2O 775 H2O O1 4 -0.847600 15.9994 0 - 4340 H2O 775 H2O H1 3 0.423800 1.0079 0 - 4341 H2O 775 H2O H2 3 0.423800 1.0079 0 - 4342 H2O 776 H2O O1 4 -0.847600 15.9994 0 - 4343 H2O 776 H2O H1 3 0.423800 1.0079 0 - 4344 H2O 776 H2O H2 3 0.423800 1.0079 0 - 4345 H2O 777 H2O O1 4 -0.847600 15.9994 0 - 4346 H2O 777 H2O H1 3 0.423800 1.0079 0 - 4347 H2O 777 H2O H2 3 0.423800 1.0079 0 - 4348 H2O 778 H2O O1 4 -0.847600 15.9994 0 - 4349 H2O 778 H2O H1 3 0.423800 1.0079 0 - 4350 H2O 778 H2O H2 3 0.423800 1.0079 0 - 4351 H2O 779 H2O O1 4 -0.847600 15.9994 0 - 4352 H2O 779 H2O H1 3 0.423800 1.0079 0 - 4353 H2O 779 H2O H2 3 0.423800 1.0079 0 - 4354 H2O 780 H2O O1 4 -0.847600 15.9994 0 - 4355 H2O 780 H2O H1 3 0.423800 1.0079 0 - 4356 H2O 780 H2O H2 3 0.423800 1.0079 0 - 4357 H2O 781 H2O O1 4 -0.847600 15.9994 0 - 4358 H2O 781 H2O H1 3 0.423800 1.0079 0 - 4359 H2O 781 H2O H2 3 0.423800 1.0079 0 - 4360 H2O 782 H2O O1 4 -0.847600 15.9994 0 - 4361 H2O 782 H2O H1 3 0.423800 1.0079 0 - 4362 H2O 782 H2O H2 3 0.423800 1.0079 0 - 4363 H2O 783 H2O O1 4 -0.847600 15.9994 0 - 4364 H2O 783 H2O H1 3 0.423800 1.0079 0 - 4365 H2O 783 H2O H2 3 0.423800 1.0079 0 - 4366 H2O 784 H2O O1 4 -0.847600 15.9994 0 - 4367 H2O 784 H2O H1 3 0.423800 1.0079 0 - 4368 H2O 784 H2O H2 3 0.423800 1.0079 0 - 4369 H2O 785 H2O O1 4 -0.847600 15.9994 0 - 4370 H2O 785 H2O H1 3 0.423800 1.0079 0 - 4371 H2O 785 H2O H2 3 0.423800 1.0079 0 - 4372 H2O 786 H2O O1 4 -0.847600 15.9994 0 - 4373 H2O 786 H2O H1 3 0.423800 1.0079 0 - 4374 H2O 786 H2O H2 3 0.423800 1.0079 0 - 4375 H2O 787 H2O O1 4 -0.847600 15.9994 0 - 4376 H2O 787 H2O H1 3 0.423800 1.0079 0 - 4377 H2O 787 H2O H2 3 0.423800 1.0079 0 - 4378 H2O 788 H2O O1 4 -0.847600 15.9994 0 - 4379 H2O 788 H2O H1 3 0.423800 1.0079 0 - 4380 H2O 788 H2O H2 3 0.423800 1.0079 0 - 4381 H2O 789 H2O O1 4 -0.847600 15.9994 0 - 4382 H2O 789 H2O H1 3 0.423800 1.0079 0 - 4383 H2O 789 H2O H2 3 0.423800 1.0079 0 - 4384 H2O 790 H2O O1 4 -0.847600 15.9994 0 - 4385 H2O 790 H2O H1 3 0.423800 1.0079 0 - 4386 H2O 790 H2O H2 3 0.423800 1.0079 0 - 4387 H2O 791 H2O O1 4 -0.847600 15.9994 0 - 4388 H2O 791 H2O H1 3 0.423800 1.0079 0 - 4389 H2O 791 H2O H2 3 0.423800 1.0079 0 - 4390 H2O 792 H2O O1 4 -0.847600 15.9994 0 - 4391 H2O 792 H2O H1 3 0.423800 1.0079 0 - 4392 H2O 792 H2O H2 3 0.423800 1.0079 0 - 4393 H2O 793 H2O O1 4 -0.847600 15.9994 0 - 4394 H2O 793 H2O H1 3 0.423800 1.0079 0 - 4395 H2O 793 H2O H2 3 0.423800 1.0079 0 - 4396 H2O 794 H2O O1 4 -0.847600 15.9994 0 - 4397 H2O 794 H2O H1 3 0.423800 1.0079 0 - 4398 H2O 794 H2O H2 3 0.423800 1.0079 0 - 4399 H2O 795 H2O O1 4 -0.847600 15.9994 0 - 4400 H2O 795 H2O H1 3 0.423800 1.0079 0 - 4401 H2O 795 H2O H2 3 0.423800 1.0079 0 - 4402 H2O 796 H2O O1 4 -0.847600 15.9994 0 - 4403 H2O 796 H2O H1 3 0.423800 1.0079 0 - 4404 H2O 796 H2O H2 3 0.423800 1.0079 0 - 4405 H2O 797 H2O O1 4 -0.847600 15.9994 0 - 4406 H2O 797 H2O H1 3 0.423800 1.0079 0 - 4407 H2O 797 H2O H2 3 0.423800 1.0079 0 - 4408 H2O 798 H2O O1 4 -0.847600 15.9994 0 - 4409 H2O 798 H2O H1 3 0.423800 1.0079 0 - 4410 H2O 798 H2O H2 3 0.423800 1.0079 0 - 4411 H2O 799 H2O O1 4 -0.847600 15.9994 0 - 4412 H2O 799 H2O H1 3 0.423800 1.0079 0 - 4413 H2O 799 H2O H2 3 0.423800 1.0079 0 - 4414 H2O 800 H2O O1 4 -0.847600 15.9994 0 - 4415 H2O 800 H2O H1 3 0.423800 1.0079 0 - 4416 H2O 800 H2O H2 3 0.423800 1.0079 0 - 4417 H2O 801 H2O O1 4 -0.847600 15.9994 0 - 4418 H2O 801 H2O H1 3 0.423800 1.0079 0 - 4419 H2O 801 H2O H2 3 0.423800 1.0079 0 - 4420 H2O 802 H2O O1 4 -0.847600 15.9994 0 - 4421 H2O 802 H2O H1 3 0.423800 1.0079 0 - 4422 H2O 802 H2O H2 3 0.423800 1.0079 0 - 4423 H2O 803 H2O O1 4 -0.847600 15.9994 0 - 4424 H2O 803 H2O H1 3 0.423800 1.0079 0 - 4425 H2O 803 H2O H2 3 0.423800 1.0079 0 - 4426 H2O 804 H2O O1 4 -0.847600 15.9994 0 - 4427 H2O 804 H2O H1 3 0.423800 1.0079 0 - 4428 H2O 804 H2O H2 3 0.423800 1.0079 0 - 4429 H2O 805 H2O O1 4 -0.847600 15.9994 0 - 4430 H2O 805 H2O H1 3 0.423800 1.0079 0 - 4431 H2O 805 H2O H2 3 0.423800 1.0079 0 - 4432 H2O 806 H2O O1 4 -0.847600 15.9994 0 - 4433 H2O 806 H2O H1 3 0.423800 1.0079 0 - 4434 H2O 806 H2O H2 3 0.423800 1.0079 0 - 4435 H2O 807 H2O O1 4 -0.847600 15.9994 0 - 4436 H2O 807 H2O H1 3 0.423800 1.0079 0 - 4437 H2O 807 H2O H2 3 0.423800 1.0079 0 - 4438 H2O 808 H2O O1 4 -0.847600 15.9994 0 - 4439 H2O 808 H2O H1 3 0.423800 1.0079 0 - 4440 H2O 808 H2O H2 3 0.423800 1.0079 0 - 4441 H2O 809 H2O O1 4 -0.847600 15.9994 0 - 4442 H2O 809 H2O H1 3 0.423800 1.0079 0 - 4443 H2O 809 H2O H2 3 0.423800 1.0079 0 - 4444 H2O 810 H2O O1 4 -0.847600 15.9994 0 - 4445 H2O 810 H2O H1 3 0.423800 1.0079 0 - 4446 H2O 810 H2O H2 3 0.423800 1.0079 0 - 4447 H2O 811 H2O O1 4 -0.847600 15.9994 0 - 4448 H2O 811 H2O H1 3 0.423800 1.0079 0 - 4449 H2O 811 H2O H2 3 0.423800 1.0079 0 - 4450 H2O 812 H2O O1 4 -0.847600 15.9994 0 - 4451 H2O 812 H2O H1 3 0.423800 1.0079 0 - 4452 H2O 812 H2O H2 3 0.423800 1.0079 0 - 4453 H2O 813 H2O O1 4 -0.847600 15.9994 0 - 4454 H2O 813 H2O H1 3 0.423800 1.0079 0 - 4455 H2O 813 H2O H2 3 0.423800 1.0079 0 - 4456 H2O 814 H2O O1 4 -0.847600 15.9994 0 - 4457 H2O 814 H2O H1 3 0.423800 1.0079 0 - 4458 H2O 814 H2O H2 3 0.423800 1.0079 0 - 4459 H2O 815 H2O O1 4 -0.847600 15.9994 0 - 4460 H2O 815 H2O H1 3 0.423800 1.0079 0 - 4461 H2O 815 H2O H2 3 0.423800 1.0079 0 - 4462 H2O 816 H2O O1 4 -0.847600 15.9994 0 - 4463 H2O 816 H2O H1 3 0.423800 1.0079 0 - 4464 H2O 816 H2O H2 3 0.423800 1.0079 0 - 4465 H2O 817 H2O O1 4 -0.847600 15.9994 0 - 4466 H2O 817 H2O H1 3 0.423800 1.0079 0 - 4467 H2O 817 H2O H2 3 0.423800 1.0079 0 - 4468 H2O 818 H2O O1 4 -0.847600 15.9994 0 - 4469 H2O 818 H2O H1 3 0.423800 1.0079 0 - 4470 H2O 818 H2O H2 3 0.423800 1.0079 0 - 4471 H2O 819 H2O O1 4 -0.847600 15.9994 0 - 4472 H2O 819 H2O H1 3 0.423800 1.0079 0 - 4473 H2O 819 H2O H2 3 0.423800 1.0079 0 - 4474 H2O 820 H2O O1 4 -0.847600 15.9994 0 - 4475 H2O 820 H2O H1 3 0.423800 1.0079 0 - 4476 H2O 820 H2O H2 3 0.423800 1.0079 0 - 4477 H2O 821 H2O O1 4 -0.847600 15.9994 0 - 4478 H2O 821 H2O H1 3 0.423800 1.0079 0 - 4479 H2O 821 H2O H2 3 0.423800 1.0079 0 - 4480 H2O 822 H2O O1 4 -0.847600 15.9994 0 - 4481 H2O 822 H2O H1 3 0.423800 1.0079 0 - 4482 H2O 822 H2O H2 3 0.423800 1.0079 0 - 4483 H2O 823 H2O O1 4 -0.847600 15.9994 0 - 4484 H2O 823 H2O H1 3 0.423800 1.0079 0 - 4485 H2O 823 H2O H2 3 0.423800 1.0079 0 - 4486 H2O 824 H2O O1 4 -0.847600 15.9994 0 - 4487 H2O 824 H2O H1 3 0.423800 1.0079 0 - 4488 H2O 824 H2O H2 3 0.423800 1.0079 0 - 4489 H2O 825 H2O O1 4 -0.847600 15.9994 0 - 4490 H2O 825 H2O H1 3 0.423800 1.0079 0 - 4491 H2O 825 H2O H2 3 0.423800 1.0079 0 - 4492 H2O 826 H2O O1 4 -0.847600 15.9994 0 - 4493 H2O 826 H2O H1 3 0.423800 1.0079 0 - 4494 H2O 826 H2O H2 3 0.423800 1.0079 0 - 4495 H2O 827 H2O O1 4 -0.847600 15.9994 0 - 4496 H2O 827 H2O H1 3 0.423800 1.0079 0 - 4497 H2O 827 H2O H2 3 0.423800 1.0079 0 - 4498 H2O 828 H2O O1 4 -0.847600 15.9994 0 - 4499 H2O 828 H2O H1 3 0.423800 1.0079 0 - 4500 H2O 828 H2O H2 3 0.423800 1.0079 0 - 4501 H2O 829 H2O O1 4 -0.847600 15.9994 0 - 4502 H2O 829 H2O H1 3 0.423800 1.0079 0 - 4503 H2O 829 H2O H2 3 0.423800 1.0079 0 - 4504 H2O 830 H2O O1 4 -0.847600 15.9994 0 - 4505 H2O 830 H2O H1 3 0.423800 1.0079 0 - 4506 H2O 830 H2O H2 3 0.423800 1.0079 0 - 4507 H2O 831 H2O O1 4 -0.847600 15.9994 0 - 4508 H2O 831 H2O H1 3 0.423800 1.0079 0 - 4509 H2O 831 H2O H2 3 0.423800 1.0079 0 - 4510 H2O 832 H2O O1 4 -0.847600 15.9994 0 - 4511 H2O 832 H2O H1 3 0.423800 1.0079 0 - 4512 H2O 832 H2O H2 3 0.423800 1.0079 0 - 4513 H2O 833 H2O O1 4 -0.847600 15.9994 0 - 4514 H2O 833 H2O H1 3 0.423800 1.0079 0 - 4515 H2O 833 H2O H2 3 0.423800 1.0079 0 - 4516 H2O 834 H2O O1 4 -0.847600 15.9994 0 - 4517 H2O 834 H2O H1 3 0.423800 1.0079 0 - 4518 H2O 834 H2O H2 3 0.423800 1.0079 0 - 4519 H2O 835 H2O O1 4 -0.847600 15.9994 0 - 4520 H2O 835 H2O H1 3 0.423800 1.0079 0 - 4521 H2O 835 H2O H2 3 0.423800 1.0079 0 - 4522 H2O 836 H2O O1 4 -0.847600 15.9994 0 - 4523 H2O 836 H2O H1 3 0.423800 1.0079 0 - 4524 H2O 836 H2O H2 3 0.423800 1.0079 0 - 4525 H2O 837 H2O O1 4 -0.847600 15.9994 0 - 4526 H2O 837 H2O H1 3 0.423800 1.0079 0 - 4527 H2O 837 H2O H2 3 0.423800 1.0079 0 - 4528 H2O 838 H2O O1 4 -0.847600 15.9994 0 - 4529 H2O 838 H2O H1 3 0.423800 1.0079 0 - 4530 H2O 838 H2O H2 3 0.423800 1.0079 0 - 4531 H2O 839 H2O O1 4 -0.847600 15.9994 0 - 4532 H2O 839 H2O H1 3 0.423800 1.0079 0 - 4533 H2O 839 H2O H2 3 0.423800 1.0079 0 - 4534 H2O 840 H2O O1 4 -0.847600 15.9994 0 - 4535 H2O 840 H2O H1 3 0.423800 1.0079 0 - 4536 H2O 840 H2O H2 3 0.423800 1.0079 0 - 4537 H2O 841 H2O O1 4 -0.847600 15.9994 0 - 4538 H2O 841 H2O H1 3 0.423800 1.0079 0 - 4539 H2O 841 H2O H2 3 0.423800 1.0079 0 - 4540 H2O 842 H2O O1 4 -0.847600 15.9994 0 - 4541 H2O 842 H2O H1 3 0.423800 1.0079 0 - 4542 H2O 842 H2O H2 3 0.423800 1.0079 0 - 4543 H2O 843 H2O O1 4 -0.847600 15.9994 0 - 4544 H2O 843 H2O H1 3 0.423800 1.0079 0 - 4545 H2O 843 H2O H2 3 0.423800 1.0079 0 - 4546 H2O 844 H2O O1 4 -0.847600 15.9994 0 - 4547 H2O 844 H2O H1 3 0.423800 1.0079 0 - 4548 H2O 844 H2O H2 3 0.423800 1.0079 0 - 4549 H2O 845 H2O O1 4 -0.847600 15.9994 0 - 4550 H2O 845 H2O H1 3 0.423800 1.0079 0 - 4551 H2O 845 H2O H2 3 0.423800 1.0079 0 - 4552 H2O 846 H2O O1 4 -0.847600 15.9994 0 - 4553 H2O 846 H2O H1 3 0.423800 1.0079 0 - 4554 H2O 846 H2O H2 3 0.423800 1.0079 0 - 4555 H2O 847 H2O O1 4 -0.847600 15.9994 0 - 4556 H2O 847 H2O H1 3 0.423800 1.0079 0 - 4557 H2O 847 H2O H2 3 0.423800 1.0079 0 - 4558 H2O 848 H2O O1 4 -0.847600 15.9994 0 - 4559 H2O 848 H2O H1 3 0.423800 1.0079 0 - 4560 H2O 848 H2O H2 3 0.423800 1.0079 0 - 4561 H2O 849 H2O O1 4 -0.847600 15.9994 0 - 4562 H2O 849 H2O H1 3 0.423800 1.0079 0 - 4563 H2O 849 H2O H2 3 0.423800 1.0079 0 - 4564 H2O 850 H2O O1 4 -0.847600 15.9994 0 - 4565 H2O 850 H2O H1 3 0.423800 1.0079 0 - 4566 H2O 850 H2O H2 3 0.423800 1.0079 0 - 4567 H2O 851 H2O O1 4 -0.847600 15.9994 0 - 4568 H2O 851 H2O H1 3 0.423800 1.0079 0 - 4569 H2O 851 H2O H2 3 0.423800 1.0079 0 - 4570 H2O 852 H2O O1 4 -0.847600 15.9994 0 - 4571 H2O 852 H2O H1 3 0.423800 1.0079 0 - 4572 H2O 852 H2O H2 3 0.423800 1.0079 0 - 4573 H2O 853 H2O O1 4 -0.847600 15.9994 0 - 4574 H2O 853 H2O H1 3 0.423800 1.0079 0 - 4575 H2O 853 H2O H2 3 0.423800 1.0079 0 - 4576 H2O 854 H2O O1 4 -0.847600 15.9994 0 - 4577 H2O 854 H2O H1 3 0.423800 1.0079 0 - 4578 H2O 854 H2O H2 3 0.423800 1.0079 0 - 4579 H2O 855 H2O O1 4 -0.847600 15.9994 0 - 4580 H2O 855 H2O H1 3 0.423800 1.0079 0 - 4581 H2O 855 H2O H2 3 0.423800 1.0079 0 - 4582 H2O 856 H2O O1 4 -0.847600 15.9994 0 - 4583 H2O 856 H2O H1 3 0.423800 1.0079 0 - 4584 H2O 856 H2O H2 3 0.423800 1.0079 0 - 4585 H2O 857 H2O O1 4 -0.847600 15.9994 0 - 4586 H2O 857 H2O H1 3 0.423800 1.0079 0 - 4587 H2O 857 H2O H2 3 0.423800 1.0079 0 - 4588 H2O 858 H2O O1 4 -0.847600 15.9994 0 - 4589 H2O 858 H2O H1 3 0.423800 1.0079 0 - 4590 H2O 858 H2O H2 3 0.423800 1.0079 0 - 4591 H2O 859 H2O O1 4 -0.847600 15.9994 0 - 4592 H2O 859 H2O H1 3 0.423800 1.0079 0 - 4593 H2O 859 H2O H2 3 0.423800 1.0079 0 - 4594 H2O 860 H2O O1 4 -0.847600 15.9994 0 - 4595 H2O 860 H2O H1 3 0.423800 1.0079 0 - 4596 H2O 860 H2O H2 3 0.423800 1.0079 0 - 4597 H2O 861 H2O O1 4 -0.847600 15.9994 0 - 4598 H2O 861 H2O H1 3 0.423800 1.0079 0 - 4599 H2O 861 H2O H2 3 0.423800 1.0079 0 - 4600 H2O 862 H2O O1 4 -0.847600 15.9994 0 - 4601 H2O 862 H2O H1 3 0.423800 1.0079 0 - 4602 H2O 862 H2O H2 3 0.423800 1.0079 0 - 4603 H2O 863 H2O O1 4 -0.847600 15.9994 0 - 4604 H2O 863 H2O H1 3 0.423800 1.0079 0 - 4605 H2O 863 H2O H2 3 0.423800 1.0079 0 - 4606 H2O 864 H2O O1 4 -0.847600 15.9994 0 - 4607 H2O 864 H2O H1 3 0.423800 1.0079 0 - 4608 H2O 864 H2O H2 3 0.423800 1.0079 0 - 4609 H2O 865 H2O O1 4 -0.847600 15.9994 0 - 4610 H2O 865 H2O H1 3 0.423800 1.0079 0 - 4611 H2O 865 H2O H2 3 0.423800 1.0079 0 - 4612 H2O 866 H2O O1 4 -0.847600 15.9994 0 - 4613 H2O 866 H2O H1 3 0.423800 1.0079 0 - 4614 H2O 866 H2O H2 3 0.423800 1.0079 0 - 4615 H2O 867 H2O O1 4 -0.847600 15.9994 0 - 4616 H2O 867 H2O H1 3 0.423800 1.0079 0 - 4617 H2O 867 H2O H2 3 0.423800 1.0079 0 - 4618 H2O 868 H2O O1 4 -0.847600 15.9994 0 - 4619 H2O 868 H2O H1 3 0.423800 1.0079 0 - 4620 H2O 868 H2O H2 3 0.423800 1.0079 0 - 4621 H2O 869 H2O O1 4 -0.847600 15.9994 0 - 4622 H2O 869 H2O H1 3 0.423800 1.0079 0 - 4623 H2O 869 H2O H2 3 0.423800 1.0079 0 - 4624 H2O 870 H2O O1 4 -0.847600 15.9994 0 - 4625 H2O 870 H2O H1 3 0.423800 1.0079 0 - 4626 H2O 870 H2O H2 3 0.423800 1.0079 0 - 4627 H2O 871 H2O O1 4 -0.847600 15.9994 0 - 4628 H2O 871 H2O H1 3 0.423800 1.0079 0 - 4629 H2O 871 H2O H2 3 0.423800 1.0079 0 - 4630 H2O 872 H2O O1 4 -0.847600 15.9994 0 - 4631 H2O 872 H2O H1 3 0.423800 1.0079 0 - 4632 H2O 872 H2O H2 3 0.423800 1.0079 0 - 4633 H2O 873 H2O O1 4 -0.847600 15.9994 0 - 4634 H2O 873 H2O H1 3 0.423800 1.0079 0 - 4635 H2O 873 H2O H2 3 0.423800 1.0079 0 - 4636 H2O 874 H2O O1 4 -0.847600 15.9994 0 - 4637 H2O 874 H2O H1 3 0.423800 1.0079 0 - 4638 H2O 874 H2O H2 3 0.423800 1.0079 0 - 4639 H2O 875 H2O O1 4 -0.847600 15.9994 0 - 4640 H2O 875 H2O H1 3 0.423800 1.0079 0 - 4641 H2O 875 H2O H2 3 0.423800 1.0079 0 - 4642 H2O 876 H2O O1 4 -0.847600 15.9994 0 - 4643 H2O 876 H2O H1 3 0.423800 1.0079 0 - 4644 H2O 876 H2O H2 3 0.423800 1.0079 0 - 4645 H2O 877 H2O O1 4 -0.847600 15.9994 0 - 4646 H2O 877 H2O H1 3 0.423800 1.0079 0 - 4647 H2O 877 H2O H2 3 0.423800 1.0079 0 - 4648 H2O 878 H2O O1 4 -0.847600 15.9994 0 - 4649 H2O 878 H2O H1 3 0.423800 1.0079 0 - 4650 H2O 878 H2O H2 3 0.423800 1.0079 0 - 4651 H2O 879 H2O O1 4 -0.847600 15.9994 0 - 4652 H2O 879 H2O H1 3 0.423800 1.0079 0 - 4653 H2O 879 H2O H2 3 0.423800 1.0079 0 - 4654 H2O 880 H2O O1 4 -0.847600 15.9994 0 - 4655 H2O 880 H2O H1 3 0.423800 1.0079 0 - 4656 H2O 880 H2O H2 3 0.423800 1.0079 0 - 4657 H2O 881 H2O O1 4 -0.847600 15.9994 0 - 4658 H2O 881 H2O H1 3 0.423800 1.0079 0 - 4659 H2O 881 H2O H2 3 0.423800 1.0079 0 - 4660 H2O 882 H2O O1 4 -0.847600 15.9994 0 - 4661 H2O 882 H2O H1 3 0.423800 1.0079 0 - 4662 H2O 882 H2O H2 3 0.423800 1.0079 0 - 4663 H2O 883 H2O O1 4 -0.847600 15.9994 0 - 4664 H2O 883 H2O H1 3 0.423800 1.0079 0 - 4665 H2O 883 H2O H2 3 0.423800 1.0079 0 - 4666 H2O 884 H2O O1 4 -0.847600 15.9994 0 - 4667 H2O 884 H2O H1 3 0.423800 1.0079 0 - 4668 H2O 884 H2O H2 3 0.423800 1.0079 0 - 4669 H2O 885 H2O O1 4 -0.847600 15.9994 0 - 4670 H2O 885 H2O H1 3 0.423800 1.0079 0 - 4671 H2O 885 H2O H2 3 0.423800 1.0079 0 - 4672 H2O 886 H2O O1 4 -0.847600 15.9994 0 - 4673 H2O 886 H2O H1 3 0.423800 1.0079 0 - 4674 H2O 886 H2O H2 3 0.423800 1.0079 0 - 4675 H2O 887 H2O O1 4 -0.847600 15.9994 0 - 4676 H2O 887 H2O H1 3 0.423800 1.0079 0 - 4677 H2O 887 H2O H2 3 0.423800 1.0079 0 - 4678 H2O 888 H2O O1 4 -0.847600 15.9994 0 - 4679 H2O 888 H2O H1 3 0.423800 1.0079 0 - 4680 H2O 888 H2O H2 3 0.423800 1.0079 0 - 4681 H2O 889 H2O O1 4 -0.847600 15.9994 0 - 4682 H2O 889 H2O H1 3 0.423800 1.0079 0 - 4683 H2O 889 H2O H2 3 0.423800 1.0079 0 - 4684 H2O 890 H2O O1 4 -0.847600 15.9994 0 - 4685 H2O 890 H2O H1 3 0.423800 1.0079 0 - 4686 H2O 890 H2O H2 3 0.423800 1.0079 0 - 4687 H2O 891 H2O O1 4 -0.847600 15.9994 0 - 4688 H2O 891 H2O H1 3 0.423800 1.0079 0 - 4689 H2O 891 H2O H2 3 0.423800 1.0079 0 - 4690 H2O 892 H2O O1 4 -0.847600 15.9994 0 - 4691 H2O 892 H2O H1 3 0.423800 1.0079 0 - 4692 H2O 892 H2O H2 3 0.423800 1.0079 0 - 4693 H2O 893 H2O O1 4 -0.847600 15.9994 0 - 4694 H2O 893 H2O H1 3 0.423800 1.0079 0 - 4695 H2O 893 H2O H2 3 0.423800 1.0079 0 - 4696 H2O 894 H2O O1 4 -0.847600 15.9994 0 - 4697 H2O 894 H2O H1 3 0.423800 1.0079 0 - 4698 H2O 894 H2O H2 3 0.423800 1.0079 0 - 4699 H2O 895 H2O O1 4 -0.847600 15.9994 0 - 4700 H2O 895 H2O H1 3 0.423800 1.0079 0 - 4701 H2O 895 H2O H2 3 0.423800 1.0079 0 - 4702 H2O 896 H2O O1 4 -0.847600 15.9994 0 - 4703 H2O 896 H2O H1 3 0.423800 1.0079 0 - 4704 H2O 896 H2O H2 3 0.423800 1.0079 0 - 4705 H2O 897 H2O O1 4 -0.847600 15.9994 0 - 4706 H2O 897 H2O H1 3 0.423800 1.0079 0 - 4707 H2O 897 H2O H2 3 0.423800 1.0079 0 - 4708 H2O 898 H2O O1 4 -0.847600 15.9994 0 - 4709 H2O 898 H2O H1 3 0.423800 1.0079 0 - 4710 H2O 898 H2O H2 3 0.423800 1.0079 0 - 4711 H2O 899 H2O O1 4 -0.847600 15.9994 0 - 4712 H2O 899 H2O H1 3 0.423800 1.0079 0 - 4713 H2O 899 H2O H2 3 0.423800 1.0079 0 - 4714 H2O 900 H2O O1 4 -0.847600 15.9994 0 - 4715 H2O 900 H2O H1 3 0.423800 1.0079 0 - 4716 H2O 900 H2O H2 3 0.423800 1.0079 0 - 4717 H2O 901 H2O O1 4 -0.847600 15.9994 0 - 4718 H2O 901 H2O H1 3 0.423800 1.0079 0 - 4719 H2O 901 H2O H2 3 0.423800 1.0079 0 - 4720 H2O 902 H2O O1 4 -0.847600 15.9994 0 - 4721 H2O 902 H2O H1 3 0.423800 1.0079 0 - 4722 H2O 902 H2O H2 3 0.423800 1.0079 0 - 4723 H2O 903 H2O O1 4 -0.847600 15.9994 0 - 4724 H2O 903 H2O H1 3 0.423800 1.0079 0 - 4725 H2O 903 H2O H2 3 0.423800 1.0079 0 - 4726 H2O 904 H2O O1 4 -0.847600 15.9994 0 - 4727 H2O 904 H2O H1 3 0.423800 1.0079 0 - 4728 H2O 904 H2O H2 3 0.423800 1.0079 0 - 4729 H2O 905 H2O O1 4 -0.847600 15.9994 0 - 4730 H2O 905 H2O H1 3 0.423800 1.0079 0 - 4731 H2O 905 H2O H2 3 0.423800 1.0079 0 - 4732 H2O 906 H2O O1 4 -0.847600 15.9994 0 - 4733 H2O 906 H2O H1 3 0.423800 1.0079 0 - 4734 H2O 906 H2O H2 3 0.423800 1.0079 0 - 4735 H2O 907 H2O O1 4 -0.847600 15.9994 0 - 4736 H2O 907 H2O H1 3 0.423800 1.0079 0 - 4737 H2O 907 H2O H2 3 0.423800 1.0079 0 - 4738 H2O 908 H2O O1 4 -0.847600 15.9994 0 - 4739 H2O 908 H2O H1 3 0.423800 1.0079 0 - 4740 H2O 908 H2O H2 3 0.423800 1.0079 0 - 4741 H2O 909 H2O O1 4 -0.847600 15.9994 0 - 4742 H2O 909 H2O H1 3 0.423800 1.0079 0 - 4743 H2O 909 H2O H2 3 0.423800 1.0079 0 - 4744 H2O 910 H2O O1 4 -0.847600 15.9994 0 - 4745 H2O 910 H2O H1 3 0.423800 1.0079 0 - 4746 H2O 910 H2O H2 3 0.423800 1.0079 0 - 4747 H2O 911 H2O O1 4 -0.847600 15.9994 0 - 4748 H2O 911 H2O H1 3 0.423800 1.0079 0 - 4749 H2O 911 H2O H2 3 0.423800 1.0079 0 - 4750 H2O 912 H2O O1 4 -0.847600 15.9994 0 - 4751 H2O 912 H2O H1 3 0.423800 1.0079 0 - 4752 H2O 912 H2O H2 3 0.423800 1.0079 0 - 4753 H2O 913 H2O O1 4 -0.847600 15.9994 0 - 4754 H2O 913 H2O H1 3 0.423800 1.0079 0 - 4755 H2O 913 H2O H2 3 0.423800 1.0079 0 - 4756 H2O 914 H2O O1 4 -0.847600 15.9994 0 - 4757 H2O 914 H2O H1 3 0.423800 1.0079 0 - 4758 H2O 914 H2O H2 3 0.423800 1.0079 0 - 4759 H2O 915 H2O O1 4 -0.847600 15.9994 0 - 4760 H2O 915 H2O H1 3 0.423800 1.0079 0 - 4761 H2O 915 H2O H2 3 0.423800 1.0079 0 - 4762 H2O 916 H2O O1 4 -0.847600 15.9994 0 - 4763 H2O 916 H2O H1 3 0.423800 1.0079 0 - 4764 H2O 916 H2O H2 3 0.423800 1.0079 0 - 4765 H2O 917 H2O O1 4 -0.847600 15.9994 0 - 4766 H2O 917 H2O H1 3 0.423800 1.0079 0 - 4767 H2O 917 H2O H2 3 0.423800 1.0079 0 - 4768 H2O 918 H2O O1 4 -0.847600 15.9994 0 - 4769 H2O 918 H2O H1 3 0.423800 1.0079 0 - 4770 H2O 918 H2O H2 3 0.423800 1.0079 0 - 4771 H2O 919 H2O O1 4 -0.847600 15.9994 0 - 4772 H2O 919 H2O H1 3 0.423800 1.0079 0 - 4773 H2O 919 H2O H2 3 0.423800 1.0079 0 - 4774 H2O 920 H2O O1 4 -0.847600 15.9994 0 - 4775 H2O 920 H2O H1 3 0.423800 1.0079 0 - 4776 H2O 920 H2O H2 3 0.423800 1.0079 0 - 4777 H2O 921 H2O O1 4 -0.847600 15.9994 0 - 4778 H2O 921 H2O H1 3 0.423800 1.0079 0 - 4779 H2O 921 H2O H2 3 0.423800 1.0079 0 - 4780 H2O 922 H2O O1 4 -0.847600 15.9994 0 - 4781 H2O 922 H2O H1 3 0.423800 1.0079 0 - 4782 H2O 922 H2O H2 3 0.423800 1.0079 0 - 4783 H2O 923 H2O O1 4 -0.847600 15.9994 0 - 4784 H2O 923 H2O H1 3 0.423800 1.0079 0 - 4785 H2O 923 H2O H2 3 0.423800 1.0079 0 - 4786 H2O 924 H2O O1 4 -0.847600 15.9994 0 - 4787 H2O 924 H2O H1 3 0.423800 1.0079 0 - 4788 H2O 924 H2O H2 3 0.423800 1.0079 0 - 4789 H2O 925 H2O O1 4 -0.847600 15.9994 0 - 4790 H2O 925 H2O H1 3 0.423800 1.0079 0 - 4791 H2O 925 H2O H2 3 0.423800 1.0079 0 - 4792 H2O 926 H2O O1 4 -0.847600 15.9994 0 - 4793 H2O 926 H2O H1 3 0.423800 1.0079 0 - 4794 H2O 926 H2O H2 3 0.423800 1.0079 0 - 4795 H2O 927 H2O O1 4 -0.847600 15.9994 0 - 4796 H2O 927 H2O H1 3 0.423800 1.0079 0 - 4797 H2O 927 H2O H2 3 0.423800 1.0079 0 - 4798 H2O 928 H2O O1 4 -0.847600 15.9994 0 - 4799 H2O 928 H2O H1 3 0.423800 1.0079 0 - 4800 H2O 928 H2O H2 3 0.423800 1.0079 0 - 4801 H2O 929 H2O O1 4 -0.847600 15.9994 0 - 4802 H2O 929 H2O H1 3 0.423800 1.0079 0 - 4803 H2O 929 H2O H2 3 0.423800 1.0079 0 - 4804 H2O 930 H2O O1 4 -0.847600 15.9994 0 - 4805 H2O 930 H2O H1 3 0.423800 1.0079 0 - 4806 H2O 930 H2O H2 3 0.423800 1.0079 0 - 4807 H2O 931 H2O O1 4 -0.847600 15.9994 0 - 4808 H2O 931 H2O H1 3 0.423800 1.0079 0 - 4809 H2O 931 H2O H2 3 0.423800 1.0079 0 - 4810 H2O 932 H2O O1 4 -0.847600 15.9994 0 - 4811 H2O 932 H2O H1 3 0.423800 1.0079 0 - 4812 H2O 932 H2O H2 3 0.423800 1.0079 0 - 4813 H2O 933 H2O O1 4 -0.847600 15.9994 0 - 4814 H2O 933 H2O H1 3 0.423800 1.0079 0 - 4815 H2O 933 H2O H2 3 0.423800 1.0079 0 - 4816 H2O 934 H2O O1 4 -0.847600 15.9994 0 - 4817 H2O 934 H2O H1 3 0.423800 1.0079 0 - 4818 H2O 934 H2O H2 3 0.423800 1.0079 0 - 4819 H2O 935 H2O O1 4 -0.847600 15.9994 0 - 4820 H2O 935 H2O H1 3 0.423800 1.0079 0 - 4821 H2O 935 H2O H2 3 0.423800 1.0079 0 - 4822 H2O 936 H2O O1 4 -0.847600 15.9994 0 - 4823 H2O 936 H2O H1 3 0.423800 1.0079 0 - 4824 H2O 936 H2O H2 3 0.423800 1.0079 0 - 4825 H2O 937 H2O O1 4 -0.847600 15.9994 0 - 4826 H2O 937 H2O H1 3 0.423800 1.0079 0 - 4827 H2O 937 H2O H2 3 0.423800 1.0079 0 - 4828 H2O 938 H2O O1 4 -0.847600 15.9994 0 - 4829 H2O 938 H2O H1 3 0.423800 1.0079 0 - 4830 H2O 938 H2O H2 3 0.423800 1.0079 0 - 4831 H2O 939 H2O O1 4 -0.847600 15.9994 0 - 4832 H2O 939 H2O H1 3 0.423800 1.0079 0 - 4833 H2O 939 H2O H2 3 0.423800 1.0079 0 - 4834 H2O 940 H2O O1 4 -0.847600 15.9994 0 - 4835 H2O 940 H2O H1 3 0.423800 1.0079 0 - 4836 H2O 940 H2O H2 3 0.423800 1.0079 0 - 4837 H2O 941 H2O O1 4 -0.847600 15.9994 0 - 4838 H2O 941 H2O H1 3 0.423800 1.0079 0 - 4839 H2O 941 H2O H2 3 0.423800 1.0079 0 - 4840 H2O 942 H2O O1 4 -0.847600 15.9994 0 - 4841 H2O 942 H2O H1 3 0.423800 1.0079 0 - 4842 H2O 942 H2O H2 3 0.423800 1.0079 0 - 4843 H2O 943 H2O O1 4 -0.847600 15.9994 0 - 4844 H2O 943 H2O H1 3 0.423800 1.0079 0 - 4845 H2O 943 H2O H2 3 0.423800 1.0079 0 - 4846 H2O 944 H2O O1 4 -0.847600 15.9994 0 - 4847 H2O 944 H2O H1 3 0.423800 1.0079 0 - 4848 H2O 944 H2O H2 3 0.423800 1.0079 0 - 4849 H2O 945 H2O O1 4 -0.847600 15.9994 0 - 4850 H2O 945 H2O H1 3 0.423800 1.0079 0 - 4851 H2O 945 H2O H2 3 0.423800 1.0079 0 - 4852 H2O 946 H2O O1 4 -0.847600 15.9994 0 - 4853 H2O 946 H2O H1 3 0.423800 1.0079 0 - 4854 H2O 946 H2O H2 3 0.423800 1.0079 0 - 4855 H2O 947 H2O O1 4 -0.847600 15.9994 0 - 4856 H2O 947 H2O H1 3 0.423800 1.0079 0 - 4857 H2O 947 H2O H2 3 0.423800 1.0079 0 - 4858 H2O 948 H2O O1 4 -0.847600 15.9994 0 - 4859 H2O 948 H2O H1 3 0.423800 1.0079 0 - 4860 H2O 948 H2O H2 3 0.423800 1.0079 0 - 4861 H2O 949 H2O O1 4 -0.847600 15.9994 0 - 4862 H2O 949 H2O H1 3 0.423800 1.0079 0 - 4863 H2O 949 H2O H2 3 0.423800 1.0079 0 - 4864 H2O 950 H2O O1 4 -0.847600 15.9994 0 - 4865 H2O 950 H2O H1 3 0.423800 1.0079 0 - 4866 H2O 950 H2O H2 3 0.423800 1.0079 0 - 4867 H2O 951 H2O O1 4 -0.847600 15.9994 0 - 4868 H2O 951 H2O H1 3 0.423800 1.0079 0 - 4869 H2O 951 H2O H2 3 0.423800 1.0079 0 - 4870 H2O 952 H2O O1 4 -0.847600 15.9994 0 - 4871 H2O 952 H2O H1 3 0.423800 1.0079 0 - 4872 H2O 952 H2O H2 3 0.423800 1.0079 0 - 4873 H2O 953 H2O O1 4 -0.847600 15.9994 0 - 4874 H2O 953 H2O H1 3 0.423800 1.0079 0 - 4875 H2O 953 H2O H2 3 0.423800 1.0079 0 - 4876 H2O 954 H2O O1 4 -0.847600 15.9994 0 - 4877 H2O 954 H2O H1 3 0.423800 1.0079 0 - 4878 H2O 954 H2O H2 3 0.423800 1.0079 0 - 4879 H2O 955 H2O O1 4 -0.847600 15.9994 0 - 4880 H2O 955 H2O H1 3 0.423800 1.0079 0 - 4881 H2O 955 H2O H2 3 0.423800 1.0079 0 - 4882 H2O 956 H2O O1 4 -0.847600 15.9994 0 - 4883 H2O 956 H2O H1 3 0.423800 1.0079 0 - 4884 H2O 956 H2O H2 3 0.423800 1.0079 0 - 4885 H2O 957 H2O O1 4 -0.847600 15.9994 0 - 4886 H2O 957 H2O H1 3 0.423800 1.0079 0 - 4887 H2O 957 H2O H2 3 0.423800 1.0079 0 - 4888 H2O 958 H2O O1 4 -0.847600 15.9994 0 - 4889 H2O 958 H2O H1 3 0.423800 1.0079 0 - 4890 H2O 958 H2O H2 3 0.423800 1.0079 0 - 4891 H2O 959 H2O O1 4 -0.847600 15.9994 0 - 4892 H2O 959 H2O H1 3 0.423800 1.0079 0 - 4893 H2O 959 H2O H2 3 0.423800 1.0079 0 - 4894 H2O 960 H2O O1 4 -0.847600 15.9994 0 - 4895 H2O 960 H2O H1 3 0.423800 1.0079 0 - 4896 H2O 960 H2O H2 3 0.423800 1.0079 0 - 4897 H2O 961 H2O O1 4 -0.847600 15.9994 0 - 4898 H2O 961 H2O H1 3 0.423800 1.0079 0 - 4899 H2O 961 H2O H2 3 0.423800 1.0079 0 - 4900 H2O 962 H2O O1 4 -0.847600 15.9994 0 - 4901 H2O 962 H2O H1 3 0.423800 1.0079 0 - 4902 H2O 962 H2O H2 3 0.423800 1.0079 0 - 4903 H2O 963 H2O O1 4 -0.847600 15.9994 0 - 4904 H2O 963 H2O H1 3 0.423800 1.0079 0 - 4905 H2O 963 H2O H2 3 0.423800 1.0079 0 - 4906 H2O 964 H2O O1 4 -0.847600 15.9994 0 - 4907 H2O 964 H2O H1 3 0.423800 1.0079 0 - 4908 H2O 964 H2O H2 3 0.423800 1.0079 0 - 4909 H2O 965 H2O O1 4 -0.847600 15.9994 0 - 4910 H2O 965 H2O H1 3 0.423800 1.0079 0 - 4911 H2O 965 H2O H2 3 0.423800 1.0079 0 - 4912 H2O 966 H2O O1 4 -0.847600 15.9994 0 - 4913 H2O 966 H2O H1 3 0.423800 1.0079 0 - 4914 H2O 966 H2O H2 3 0.423800 1.0079 0 - 4915 H2O 967 H2O O1 4 -0.847600 15.9994 0 - 4916 H2O 967 H2O H1 3 0.423800 1.0079 0 - 4917 H2O 967 H2O H2 3 0.423800 1.0079 0 - 4918 H2O 968 H2O O1 4 -0.847600 15.9994 0 - 4919 H2O 968 H2O H1 3 0.423800 1.0079 0 - 4920 H2O 968 H2O H2 3 0.423800 1.0079 0 - 4921 H2O 969 H2O O1 4 -0.847600 15.9994 0 - 4922 H2O 969 H2O H1 3 0.423800 1.0079 0 - 4923 H2O 969 H2O H2 3 0.423800 1.0079 0 - 4924 H2O 970 H2O O1 4 -0.847600 15.9994 0 - 4925 H2O 970 H2O H1 3 0.423800 1.0079 0 - 4926 H2O 970 H2O H2 3 0.423800 1.0079 0 - 4927 H2O 971 H2O O1 4 -0.847600 15.9994 0 - 4928 H2O 971 H2O H1 3 0.423800 1.0079 0 - 4929 H2O 971 H2O H2 3 0.423800 1.0079 0 - 4930 H2O 972 H2O O1 4 -0.847600 15.9994 0 - 4931 H2O 972 H2O H1 3 0.423800 1.0079 0 - 4932 H2O 972 H2O H2 3 0.423800 1.0079 0 - 4933 H2O 973 H2O O1 4 -0.847600 15.9994 0 - 4934 H2O 973 H2O H1 3 0.423800 1.0079 0 - 4935 H2O 973 H2O H2 3 0.423800 1.0079 0 - 4936 H2O 974 H2O O1 4 -0.847600 15.9994 0 - 4937 H2O 974 H2O H1 3 0.423800 1.0079 0 - 4938 H2O 974 H2O H2 3 0.423800 1.0079 0 - 4939 H2O 975 H2O O1 4 -0.847600 15.9994 0 - 4940 H2O 975 H2O H1 3 0.423800 1.0079 0 - 4941 H2O 975 H2O H2 3 0.423800 1.0079 0 - 4942 H2O 976 H2O O1 4 -0.847600 15.9994 0 - 4943 H2O 976 H2O H1 3 0.423800 1.0079 0 - 4944 H2O 976 H2O H2 3 0.423800 1.0079 0 - 4945 H2O 977 H2O O1 4 -0.847600 15.9994 0 - 4946 H2O 977 H2O H1 3 0.423800 1.0079 0 - 4947 H2O 977 H2O H2 3 0.423800 1.0079 0 - 4948 H2O 978 H2O O1 4 -0.847600 15.9994 0 - 4949 H2O 978 H2O H1 3 0.423800 1.0079 0 - 4950 H2O 978 H2O H2 3 0.423800 1.0079 0 - 4951 H2O 979 H2O O1 4 -0.847600 15.9994 0 - 4952 H2O 979 H2O H1 3 0.423800 1.0079 0 - 4953 H2O 979 H2O H2 3 0.423800 1.0079 0 - 4954 H2O 980 H2O O1 4 -0.847600 15.9994 0 - 4955 H2O 980 H2O H1 3 0.423800 1.0079 0 - 4956 H2O 980 H2O H2 3 0.423800 1.0079 0 - 4957 H2O 981 H2O O1 4 -0.847600 15.9994 0 - 4958 H2O 981 H2O H1 3 0.423800 1.0079 0 - 4959 H2O 981 H2O H2 3 0.423800 1.0079 0 - 4960 H2O 982 H2O O1 4 -0.847600 15.9994 0 - 4961 H2O 982 H2O H1 3 0.423800 1.0079 0 - 4962 H2O 982 H2O H2 3 0.423800 1.0079 0 - 4963 H2O 983 H2O O1 4 -0.847600 15.9994 0 - 4964 H2O 983 H2O H1 3 0.423800 1.0079 0 - 4965 H2O 983 H2O H2 3 0.423800 1.0079 0 - 4966 H2O 984 H2O O1 4 -0.847600 15.9994 0 - 4967 H2O 984 H2O H1 3 0.423800 1.0079 0 - 4968 H2O 984 H2O H2 3 0.423800 1.0079 0 - 4969 H2O 985 H2O O1 4 -0.847600 15.9994 0 - 4970 H2O 985 H2O H1 3 0.423800 1.0079 0 - 4971 H2O 985 H2O H2 3 0.423800 1.0079 0 - 4972 H2O 986 H2O O1 4 -0.847600 15.9994 0 - 4973 H2O 986 H2O H1 3 0.423800 1.0079 0 - 4974 H2O 986 H2O H2 3 0.423800 1.0079 0 - 4975 H2O 987 H2O O1 4 -0.847600 15.9994 0 - 4976 H2O 987 H2O H1 3 0.423800 1.0079 0 - 4977 H2O 987 H2O H2 3 0.423800 1.0079 0 - 4978 H2O 988 H2O O1 4 -0.847600 15.9994 0 - 4979 H2O 988 H2O H1 3 0.423800 1.0079 0 - 4980 H2O 988 H2O H2 3 0.423800 1.0079 0 - 4981 H2O 989 H2O O1 4 -0.847600 15.9994 0 - 4982 H2O 989 H2O H1 3 0.423800 1.0079 0 - 4983 H2O 989 H2O H2 3 0.423800 1.0079 0 - 4984 H2O 990 H2O O1 4 -0.847600 15.9994 0 - 4985 H2O 990 H2O H1 3 0.423800 1.0079 0 - 4986 H2O 990 H2O H2 3 0.423800 1.0079 0 - 4987 H2O 991 H2O O1 4 -0.847600 15.9994 0 - 4988 H2O 991 H2O H1 3 0.423800 1.0079 0 - 4989 H2O 991 H2O H2 3 0.423800 1.0079 0 - 4990 H2O 992 H2O O1 4 -0.847600 15.9994 0 - 4991 H2O 992 H2O H1 3 0.423800 1.0079 0 - 4992 H2O 992 H2O H2 3 0.423800 1.0079 0 - 4993 H2O 993 H2O O1 4 -0.847600 15.9994 0 - 4994 H2O 993 H2O H1 3 0.423800 1.0079 0 - 4995 H2O 993 H2O H2 3 0.423800 1.0079 0 - 4996 H2O 994 H2O O1 4 -0.847600 15.9994 0 - 4997 H2O 994 H2O H1 3 0.423800 1.0079 0 - 4998 H2O 994 H2O H2 3 0.423800 1.0079 0 - 4999 H2O 995 H2O O1 4 -0.847600 15.9994 0 - 5000 H2O 995 H2O H1 3 0.423800 1.0079 0 - 5001 H2O 995 H2O H2 3 0.423800 1.0079 0 - 5002 H2O 996 H2O O1 4 -0.847600 15.9994 0 - 5003 H2O 996 H2O H1 3 0.423800 1.0079 0 - 5004 H2O 996 H2O H2 3 0.423800 1.0079 0 - 5005 H2O 997 H2O O1 4 -0.847600 15.9994 0 - 5006 H2O 997 H2O H1 3 0.423800 1.0079 0 - 5007 H2O 997 H2O H2 3 0.423800 1.0079 0 - 5008 H2O 998 H2O O1 4 -0.847600 15.9994 0 - 5009 H2O 998 H2O H1 3 0.423800 1.0079 0 - 5010 H2O 998 H2O H2 3 0.423800 1.0079 0 - 5011 H2O 999 H2O O1 4 -0.847600 15.9994 0 - 5012 H2O 999 H2O H1 3 0.423800 1.0079 0 - 5013 H2O 999 H2O H2 3 0.423800 1.0079 0 - 5014 H2O 1000 H2O O1 4 -0.847600 15.9994 0 - 5015 H2O 1000 H2O H1 3 0.423800 1.0079 0 - 5016 H2O 1000 H2O H2 3 0.423800 1.0079 0 - 5017 H2O 1001 H2O O1 4 -0.847600 15.9994 0 - 5018 H2O 1001 H2O H1 3 0.423800 1.0079 0 - 5019 H2O 1001 H2O H2 3 0.423800 1.0079 0 - 5020 H2O 1002 H2O O1 4 -0.847600 15.9994 0 - 5021 H2O 1002 H2O H1 3 0.423800 1.0079 0 - 5022 H2O 1002 H2O H2 3 0.423800 1.0079 0 - 5023 H2O 1003 H2O O1 4 -0.847600 15.9994 0 - 5024 H2O 1003 H2O H1 3 0.423800 1.0079 0 - 5025 H2O 1003 H2O H2 3 0.423800 1.0079 0 - 5026 H2O 1004 H2O O1 4 -0.847600 15.9994 0 - 5027 H2O 1004 H2O H1 3 0.423800 1.0079 0 - 5028 H2O 1004 H2O H2 3 0.423800 1.0079 0 - 5029 H2O 1005 H2O O1 4 -0.847600 15.9994 0 - 5030 H2O 1005 H2O H1 3 0.423800 1.0079 0 - 5031 H2O 1005 H2O H2 3 0.423800 1.0079 0 - 5032 H2O 1006 H2O O1 4 -0.847600 15.9994 0 - 5033 H2O 1006 H2O H1 3 0.423800 1.0079 0 - 5034 H2O 1006 H2O H2 3 0.423800 1.0079 0 - 5035 H2O 1007 H2O O1 4 -0.847600 15.9994 0 - 5036 H2O 1007 H2O H1 3 0.423800 1.0079 0 - 5037 H2O 1007 H2O H2 3 0.423800 1.0079 0 - 5038 H2O 1008 H2O O1 4 -0.847600 15.9994 0 - 5039 H2O 1008 H2O H1 3 0.423800 1.0079 0 - 5040 H2O 1008 H2O H2 3 0.423800 1.0079 0 - 5041 H2O 1009 H2O O1 4 -0.847600 15.9994 0 - 5042 H2O 1009 H2O H1 3 0.423800 1.0079 0 - 5043 H2O 1009 H2O H2 3 0.423800 1.0079 0 - 5044 H2O 1010 H2O O1 4 -0.847600 15.9994 0 - 5045 H2O 1010 H2O H1 3 0.423800 1.0079 0 - 5046 H2O 1010 H2O H2 3 0.423800 1.0079 0 - 5047 H2O 1011 H2O O1 4 -0.847600 15.9994 0 - 5048 H2O 1011 H2O H1 3 0.423800 1.0079 0 - 5049 H2O 1011 H2O H2 3 0.423800 1.0079 0 - 5050 H2O 1012 H2O O1 4 -0.847600 15.9994 0 - 5051 H2O 1012 H2O H1 3 0.423800 1.0079 0 - 5052 H2O 1012 H2O H2 3 0.423800 1.0079 0 - 5053 H2O 1013 H2O O1 4 -0.847600 15.9994 0 - 5054 H2O 1013 H2O H1 3 0.423800 1.0079 0 - 5055 H2O 1013 H2O H2 3 0.423800 1.0079 0 - 5056 H2O 1014 H2O O1 4 -0.847600 15.9994 0 - 5057 H2O 1014 H2O H1 3 0.423800 1.0079 0 - 5058 H2O 1014 H2O H2 3 0.423800 1.0079 0 - 5059 H2O 1015 H2O O1 4 -0.847600 15.9994 0 - 5060 H2O 1015 H2O H1 3 0.423800 1.0079 0 - 5061 H2O 1015 H2O H2 3 0.423800 1.0079 0 - 5062 H2O 1016 H2O O1 4 -0.847600 15.9994 0 - 5063 H2O 1016 H2O H1 3 0.423800 1.0079 0 - 5064 H2O 1016 H2O H2 3 0.423800 1.0079 0 - 5065 H2O 1017 H2O O1 4 -0.847600 15.9994 0 - 5066 H2O 1017 H2O H1 3 0.423800 1.0079 0 - 5067 H2O 1017 H2O H2 3 0.423800 1.0079 0 - 5068 H2O 1018 H2O O1 4 -0.847600 15.9994 0 - 5069 H2O 1018 H2O H1 3 0.423800 1.0079 0 - 5070 H2O 1018 H2O H2 3 0.423800 1.0079 0 - 5071 H2O 1019 H2O O1 4 -0.847600 15.9994 0 - 5072 H2O 1019 H2O H1 3 0.423800 1.0079 0 - 5073 H2O 1019 H2O H2 3 0.423800 1.0079 0 - 5074 H2O 1020 H2O O1 4 -0.847600 15.9994 0 - 5075 H2O 1020 H2O H1 3 0.423800 1.0079 0 - 5076 H2O 1020 H2O H2 3 0.423800 1.0079 0 - 5077 H2O 1021 H2O O1 4 -0.847600 15.9994 0 - 5078 H2O 1021 H2O H1 3 0.423800 1.0079 0 - 5079 H2O 1021 H2O H2 3 0.423800 1.0079 0 - 5080 H2O 1022 H2O O1 4 -0.847600 15.9994 0 - 5081 H2O 1022 H2O H1 3 0.423800 1.0079 0 - 5082 H2O 1022 H2O H2 3 0.423800 1.0079 0 - 5083 H2O 1023 H2O O1 4 -0.847600 15.9994 0 - 5084 H2O 1023 H2O H1 3 0.423800 1.0079 0 - 5085 H2O 1023 H2O H2 3 0.423800 1.0079 0 - 5086 H2O 1024 H2O O1 4 -0.847600 15.9994 0 - 5087 H2O 1024 H2O H1 3 0.423800 1.0079 0 - 5088 H2O 1024 H2O H2 3 0.423800 1.0079 0 - 5089 H2O 1025 H2O O1 4 -0.847600 15.9994 0 - 5090 H2O 1025 H2O H1 3 0.423800 1.0079 0 - 5091 H2O 1025 H2O H2 3 0.423800 1.0079 0 - 5092 H2O 1026 H2O O1 4 -0.847600 15.9994 0 - 5093 H2O 1026 H2O H1 3 0.423800 1.0079 0 - 5094 H2O 1026 H2O H2 3 0.423800 1.0079 0 - 5095 H2O 1027 H2O O1 4 -0.847600 15.9994 0 - 5096 H2O 1027 H2O H1 3 0.423800 1.0079 0 - 5097 H2O 1027 H2O H2 3 0.423800 1.0079 0 - 5098 H2O 1028 H2O O1 4 -0.847600 15.9994 0 - 5099 H2O 1028 H2O H1 3 0.423800 1.0079 0 - 5100 H2O 1028 H2O H2 3 0.423800 1.0079 0 - 5101 H2O 1029 H2O O1 4 -0.847600 15.9994 0 - 5102 H2O 1029 H2O H1 3 0.423800 1.0079 0 - 5103 H2O 1029 H2O H2 3 0.423800 1.0079 0 - 5104 H2O 1030 H2O O1 4 -0.847600 15.9994 0 - 5105 H2O 1030 H2O H1 3 0.423800 1.0079 0 - 5106 H2O 1030 H2O H2 3 0.423800 1.0079 0 - 5107 H2O 1031 H2O O1 4 -0.847600 15.9994 0 - 5108 H2O 1031 H2O H1 3 0.423800 1.0079 0 - 5109 H2O 1031 H2O H2 3 0.423800 1.0079 0 - 5110 H2O 1032 H2O O1 4 -0.847600 15.9994 0 - 5111 H2O 1032 H2O H1 3 0.423800 1.0079 0 - 5112 H2O 1032 H2O H2 3 0.423800 1.0079 0 - 5113 H2O 1033 H2O O1 4 -0.847600 15.9994 0 - 5114 H2O 1033 H2O H1 3 0.423800 1.0079 0 - 5115 H2O 1033 H2O H2 3 0.423800 1.0079 0 - 5116 H2O 1034 H2O O1 4 -0.847600 15.9994 0 - 5117 H2O 1034 H2O H1 3 0.423800 1.0079 0 - 5118 H2O 1034 H2O H2 3 0.423800 1.0079 0 - 5119 H2O 1035 H2O O1 4 -0.847600 15.9994 0 - 5120 H2O 1035 H2O H1 3 0.423800 1.0079 0 - 5121 H2O 1035 H2O H2 3 0.423800 1.0079 0 - 5122 H2O 1036 H2O O1 4 -0.847600 15.9994 0 - 5123 H2O 1036 H2O H1 3 0.423800 1.0079 0 - 5124 H2O 1036 H2O H2 3 0.423800 1.0079 0 - 5125 H2O 1037 H2O O1 4 -0.847600 15.9994 0 - 5126 H2O 1037 H2O H1 3 0.423800 1.0079 0 - 5127 H2O 1037 H2O H2 3 0.423800 1.0079 0 - 5128 H2O 1038 H2O O1 4 -0.847600 15.9994 0 - 5129 H2O 1038 H2O H1 3 0.423800 1.0079 0 - 5130 H2O 1038 H2O H2 3 0.423800 1.0079 0 - 5131 H2O 1039 H2O O1 4 -0.847600 15.9994 0 - 5132 H2O 1039 H2O H1 3 0.423800 1.0079 0 - 5133 H2O 1039 H2O H2 3 0.423800 1.0079 0 - 5134 H2O 1040 H2O O1 4 -0.847600 15.9994 0 - 5135 H2O 1040 H2O H1 3 0.423800 1.0079 0 - 5136 H2O 1040 H2O H2 3 0.423800 1.0079 0 - 5137 H2O 1041 H2O O1 4 -0.847600 15.9994 0 - 5138 H2O 1041 H2O H1 3 0.423800 1.0079 0 - 5139 H2O 1041 H2O H2 3 0.423800 1.0079 0 - 5140 H2O 1042 H2O O1 4 -0.847600 15.9994 0 - 5141 H2O 1042 H2O H1 3 0.423800 1.0079 0 - 5142 H2O 1042 H2O H2 3 0.423800 1.0079 0 - 5143 H2O 1043 H2O O1 4 -0.847600 15.9994 0 - 5144 H2O 1043 H2O H1 3 0.423800 1.0079 0 - 5145 H2O 1043 H2O H2 3 0.423800 1.0079 0 - 5146 H2O 1044 H2O O1 4 -0.847600 15.9994 0 - 5147 H2O 1044 H2O H1 3 0.423800 1.0079 0 - 5148 H2O 1044 H2O H2 3 0.423800 1.0079 0 - 5149 H2O 1045 H2O O1 4 -0.847600 15.9994 0 - 5150 H2O 1045 H2O H1 3 0.423800 1.0079 0 - 5151 H2O 1045 H2O H2 3 0.423800 1.0079 0 - 5152 H2O 1046 H2O O1 4 -0.847600 15.9994 0 - 5153 H2O 1046 H2O H1 3 0.423800 1.0079 0 - 5154 H2O 1046 H2O H2 3 0.423800 1.0079 0 - 5155 H2O 1047 H2O O1 4 -0.847600 15.9994 0 - 5156 H2O 1047 H2O H1 3 0.423800 1.0079 0 - 5157 H2O 1047 H2O H2 3 0.423800 1.0079 0 - 5158 H2O 1048 H2O O1 4 -0.847600 15.9994 0 - 5159 H2O 1048 H2O H1 3 0.423800 1.0079 0 - 5160 H2O 1048 H2O H2 3 0.423800 1.0079 0 - 5161 H2O 1049 H2O O1 4 -0.847600 15.9994 0 - 5162 H2O 1049 H2O H1 3 0.423800 1.0079 0 - 5163 H2O 1049 H2O H2 3 0.423800 1.0079 0 - 5164 H2O 1050 H2O O1 4 -0.847600 15.9994 0 - 5165 H2O 1050 H2O H1 3 0.423800 1.0079 0 - 5166 H2O 1050 H2O H2 3 0.423800 1.0079 0 - 5167 H2O 1051 H2O O1 4 -0.847600 15.9994 0 - 5168 H2O 1051 H2O H1 3 0.423800 1.0079 0 - 5169 H2O 1051 H2O H2 3 0.423800 1.0079 0 - 5170 H2O 1052 H2O O1 4 -0.847600 15.9994 0 - 5171 H2O 1052 H2O H1 3 0.423800 1.0079 0 - 5172 H2O 1052 H2O H2 3 0.423800 1.0079 0 - 5173 H2O 1053 H2O O1 4 -0.847600 15.9994 0 - 5174 H2O 1053 H2O H1 3 0.423800 1.0079 0 - 5175 H2O 1053 H2O H2 3 0.423800 1.0079 0 - 5176 H2O 1054 H2O O1 4 -0.847600 15.9994 0 - 5177 H2O 1054 H2O H1 3 0.423800 1.0079 0 - 5178 H2O 1054 H2O H2 3 0.423800 1.0079 0 - 5179 H2O 1055 H2O O1 4 -0.847600 15.9994 0 - 5180 H2O 1055 H2O H1 3 0.423800 1.0079 0 - 5181 H2O 1055 H2O H2 3 0.423800 1.0079 0 - 5182 H2O 1056 H2O O1 4 -0.847600 15.9994 0 - 5183 H2O 1056 H2O H1 3 0.423800 1.0079 0 - 5184 H2O 1056 H2O H2 3 0.423800 1.0079 0 - 5185 H2O 1057 H2O O1 4 -0.847600 15.9994 0 - 5186 H2O 1057 H2O H1 3 0.423800 1.0079 0 - 5187 H2O 1057 H2O H2 3 0.423800 1.0079 0 - 5188 H2O 1058 H2O O1 4 -0.847600 15.9994 0 - 5189 H2O 1058 H2O H1 3 0.423800 1.0079 0 - 5190 H2O 1058 H2O H2 3 0.423800 1.0079 0 - 5191 H2O 1059 H2O O1 4 -0.847600 15.9994 0 - 5192 H2O 1059 H2O H1 3 0.423800 1.0079 0 - 5193 H2O 1059 H2O H2 3 0.423800 1.0079 0 - 5194 H2O 1060 H2O O1 4 -0.847600 15.9994 0 - 5195 H2O 1060 H2O H1 3 0.423800 1.0079 0 - 5196 H2O 1060 H2O H2 3 0.423800 1.0079 0 - 5197 H2O 1061 H2O O1 4 -0.847600 15.9994 0 - 5198 H2O 1061 H2O H1 3 0.423800 1.0079 0 - 5199 H2O 1061 H2O H2 3 0.423800 1.0079 0 - 5200 H2O 1062 H2O O1 4 -0.847600 15.9994 0 - 5201 H2O 1062 H2O H1 3 0.423800 1.0079 0 - 5202 H2O 1062 H2O H2 3 0.423800 1.0079 0 - 5203 H2O 1063 H2O O1 4 -0.847600 15.9994 0 - 5204 H2O 1063 H2O H1 3 0.423800 1.0079 0 - 5205 H2O 1063 H2O H2 3 0.423800 1.0079 0 - 5206 H2O 1064 H2O O1 4 -0.847600 15.9994 0 - 5207 H2O 1064 H2O H1 3 0.423800 1.0079 0 - 5208 H2O 1064 H2O H2 3 0.423800 1.0079 0 - 5209 H2O 1065 H2O O1 4 -0.847600 15.9994 0 - 5210 H2O 1065 H2O H1 3 0.423800 1.0079 0 - 5211 H2O 1065 H2O H2 3 0.423800 1.0079 0 - 5212 H2O 1066 H2O O1 4 -0.847600 15.9994 0 - 5213 H2O 1066 H2O H1 3 0.423800 1.0079 0 - 5214 H2O 1066 H2O H2 3 0.423800 1.0079 0 - 5215 H2O 1067 H2O O1 4 -0.847600 15.9994 0 - 5216 H2O 1067 H2O H1 3 0.423800 1.0079 0 - 5217 H2O 1067 H2O H2 3 0.423800 1.0079 0 - 5218 H2O 1068 H2O O1 4 -0.847600 15.9994 0 - 5219 H2O 1068 H2O H1 3 0.423800 1.0079 0 - 5220 H2O 1068 H2O H2 3 0.423800 1.0079 0 - 5221 H2O 1069 H2O O1 4 -0.847600 15.9994 0 - 5222 H2O 1069 H2O H1 3 0.423800 1.0079 0 - 5223 H2O 1069 H2O H2 3 0.423800 1.0079 0 - 5224 H2O 1070 H2O O1 4 -0.847600 15.9994 0 - 5225 H2O 1070 H2O H1 3 0.423800 1.0079 0 - 5226 H2O 1070 H2O H2 3 0.423800 1.0079 0 - 5227 H2O 1071 H2O O1 4 -0.847600 15.9994 0 - 5228 H2O 1071 H2O H1 3 0.423800 1.0079 0 - 5229 H2O 1071 H2O H2 3 0.423800 1.0079 0 - 5230 H2O 1072 H2O O1 4 -0.847600 15.9994 0 - 5231 H2O 1072 H2O H1 3 0.423800 1.0079 0 - 5232 H2O 1072 H2O H2 3 0.423800 1.0079 0 - 5233 H2O 1073 H2O O1 4 -0.847600 15.9994 0 - 5234 H2O 1073 H2O H1 3 0.423800 1.0079 0 - 5235 H2O 1073 H2O H2 3 0.423800 1.0079 0 - 5236 H2O 1074 H2O O1 4 -0.847600 15.9994 0 - 5237 H2O 1074 H2O H1 3 0.423800 1.0079 0 - 5238 H2O 1074 H2O H2 3 0.423800 1.0079 0 - 5239 H2O 1075 H2O O1 4 -0.847600 15.9994 0 - 5240 H2O 1075 H2O H1 3 0.423800 1.0079 0 - 5241 H2O 1075 H2O H2 3 0.423800 1.0079 0 - 5242 H2O 1076 H2O O1 4 -0.847600 15.9994 0 - 5243 H2O 1076 H2O H1 3 0.423800 1.0079 0 - 5244 H2O 1076 H2O H2 3 0.423800 1.0079 0 - 5245 H2O 1077 H2O O1 4 -0.847600 15.9994 0 - 5246 H2O 1077 H2O H1 3 0.423800 1.0079 0 - 5247 H2O 1077 H2O H2 3 0.423800 1.0079 0 - 5248 H2O 1078 H2O O1 4 -0.847600 15.9994 0 - 5249 H2O 1078 H2O H1 3 0.423800 1.0079 0 - 5250 H2O 1078 H2O H2 3 0.423800 1.0079 0 - 5251 H2O 1079 H2O O1 4 -0.847600 15.9994 0 - 5252 H2O 1079 H2O H1 3 0.423800 1.0079 0 - 5253 H2O 1079 H2O H2 3 0.423800 1.0079 0 - 5254 H2O 1080 H2O O1 4 -0.847600 15.9994 0 - 5255 H2O 1080 H2O H1 3 0.423800 1.0079 0 - 5256 H2O 1080 H2O H2 3 0.423800 1.0079 0 - 5257 H2O 1081 H2O O1 4 -0.847600 15.9994 0 - 5258 H2O 1081 H2O H1 3 0.423800 1.0079 0 - 5259 H2O 1081 H2O H2 3 0.423800 1.0079 0 - 5260 H2O 1082 H2O O1 4 -0.847600 15.9994 0 - 5261 H2O 1082 H2O H1 3 0.423800 1.0079 0 - 5262 H2O 1082 H2O H2 3 0.423800 1.0079 0 - 5263 H2O 1083 H2O O1 4 -0.847600 15.9994 0 - 5264 H2O 1083 H2O H1 3 0.423800 1.0079 0 - 5265 H2O 1083 H2O H2 3 0.423800 1.0079 0 - 5266 H2O 1084 H2O O1 4 -0.847600 15.9994 0 - 5267 H2O 1084 H2O H1 3 0.423800 1.0079 0 - 5268 H2O 1084 H2O H2 3 0.423800 1.0079 0 - 5269 H2O 1085 H2O O1 4 -0.847600 15.9994 0 - 5270 H2O 1085 H2O H1 3 0.423800 1.0079 0 - 5271 H2O 1085 H2O H2 3 0.423800 1.0079 0 - 5272 H2O 1086 H2O O1 4 -0.847600 15.9994 0 - 5273 H2O 1086 H2O H1 3 0.423800 1.0079 0 - 5274 H2O 1086 H2O H2 3 0.423800 1.0079 0 - 5275 H2O 1087 H2O O1 4 -0.847600 15.9994 0 - 5276 H2O 1087 H2O H1 3 0.423800 1.0079 0 - 5277 H2O 1087 H2O H2 3 0.423800 1.0079 0 - 5278 H2O 1088 H2O O1 4 -0.847600 15.9994 0 - 5279 H2O 1088 H2O H1 3 0.423800 1.0079 0 - 5280 H2O 1088 H2O H2 3 0.423800 1.0079 0 - 5281 H2O 1089 H2O O1 4 -0.847600 15.9994 0 - 5282 H2O 1089 H2O H1 3 0.423800 1.0079 0 - 5283 H2O 1089 H2O H2 3 0.423800 1.0079 0 - 5284 H2O 1090 H2O O1 4 -0.847600 15.9994 0 - 5285 H2O 1090 H2O H1 3 0.423800 1.0079 0 - 5286 H2O 1090 H2O H2 3 0.423800 1.0079 0 - 5287 H2O 1091 H2O O1 4 -0.847600 15.9994 0 - 5288 H2O 1091 H2O H1 3 0.423800 1.0079 0 - 5289 H2O 1091 H2O H2 3 0.423800 1.0079 0 - 5290 H2O 1092 H2O O1 4 -0.847600 15.9994 0 - 5291 H2O 1092 H2O H1 3 0.423800 1.0079 0 - 5292 H2O 1092 H2O H2 3 0.423800 1.0079 0 - 5293 H2O 1093 H2O O1 4 -0.847600 15.9994 0 - 5294 H2O 1093 H2O H1 3 0.423800 1.0079 0 - 5295 H2O 1093 H2O H2 3 0.423800 1.0079 0 - 5296 H2O 1094 H2O O1 4 -0.847600 15.9994 0 - 5297 H2O 1094 H2O H1 3 0.423800 1.0079 0 - 5298 H2O 1094 H2O H2 3 0.423800 1.0079 0 - 5299 H2O 1095 H2O O1 4 -0.847600 15.9994 0 - 5300 H2O 1095 H2O H1 3 0.423800 1.0079 0 - 5301 H2O 1095 H2O H2 3 0.423800 1.0079 0 - 5302 H2O 1096 H2O O1 4 -0.847600 15.9994 0 - 5303 H2O 1096 H2O H1 3 0.423800 1.0079 0 - 5304 H2O 1096 H2O H2 3 0.423800 1.0079 0 - 5305 H2O 1097 H2O O1 4 -0.847600 15.9994 0 - 5306 H2O 1097 H2O H1 3 0.423800 1.0079 0 - 5307 H2O 1097 H2O H2 3 0.423800 1.0079 0 - 5308 H2O 1098 H2O O1 4 -0.847600 15.9994 0 - 5309 H2O 1098 H2O H1 3 0.423800 1.0079 0 - 5310 H2O 1098 H2O H2 3 0.423800 1.0079 0 - 5311 H2O 1099 H2O O1 4 -0.847600 15.9994 0 - 5312 H2O 1099 H2O H1 3 0.423800 1.0079 0 - 5313 H2O 1099 H2O H2 3 0.423800 1.0079 0 - 5314 H2O 1100 H2O O1 4 -0.847600 15.9994 0 - 5315 H2O 1100 H2O H1 3 0.423800 1.0079 0 - 5316 H2O 1100 H2O H2 3 0.423800 1.0079 0 - 5317 H2O 1101 H2O O1 4 -0.847600 15.9994 0 - 5318 H2O 1101 H2O H1 3 0.423800 1.0079 0 - 5319 H2O 1101 H2O H2 3 0.423800 1.0079 0 - 5320 H2O 1102 H2O O1 4 -0.847600 15.9994 0 - 5321 H2O 1102 H2O H1 3 0.423800 1.0079 0 - 5322 H2O 1102 H2O H2 3 0.423800 1.0079 0 - 5323 H2O 1103 H2O O1 4 -0.847600 15.9994 0 - 5324 H2O 1103 H2O H1 3 0.423800 1.0079 0 - 5325 H2O 1103 H2O H2 3 0.423800 1.0079 0 - 5326 H2O 1104 H2O O1 4 -0.847600 15.9994 0 - 5327 H2O 1104 H2O H1 3 0.423800 1.0079 0 - 5328 H2O 1104 H2O H2 3 0.423800 1.0079 0 - 5329 H2O 1105 H2O O1 4 -0.847600 15.9994 0 - 5330 H2O 1105 H2O H1 3 0.423800 1.0079 0 - 5331 H2O 1105 H2O H2 3 0.423800 1.0079 0 - 5332 H2O 1106 H2O O1 4 -0.847600 15.9994 0 - 5333 H2O 1106 H2O H1 3 0.423800 1.0079 0 - 5334 H2O 1106 H2O H2 3 0.423800 1.0079 0 - 5335 H2O 1107 H2O O1 4 -0.847600 15.9994 0 - 5336 H2O 1107 H2O H1 3 0.423800 1.0079 0 - 5337 H2O 1107 H2O H2 3 0.423800 1.0079 0 - 5338 H2O 1108 H2O O1 4 -0.847600 15.9994 0 - 5339 H2O 1108 H2O H1 3 0.423800 1.0079 0 - 5340 H2O 1108 H2O H2 3 0.423800 1.0079 0 - 5341 H2O 1109 H2O O1 4 -0.847600 15.9994 0 - 5342 H2O 1109 H2O H1 3 0.423800 1.0079 0 - 5343 H2O 1109 H2O H2 3 0.423800 1.0079 0 - 5344 H2O 1110 H2O O1 4 -0.847600 15.9994 0 - 5345 H2O 1110 H2O H1 3 0.423800 1.0079 0 - 5346 H2O 1110 H2O H2 3 0.423800 1.0079 0 - 5347 H2O 1111 H2O O1 4 -0.847600 15.9994 0 - 5348 H2O 1111 H2O H1 3 0.423800 1.0079 0 - 5349 H2O 1111 H2O H2 3 0.423800 1.0079 0 - 5350 H2O 1112 H2O O1 4 -0.847600 15.9994 0 - 5351 H2O 1112 H2O H1 3 0.423800 1.0079 0 - 5352 H2O 1112 H2O H2 3 0.423800 1.0079 0 - 5353 H2O 1113 H2O O1 4 -0.847600 15.9994 0 - 5354 H2O 1113 H2O H1 3 0.423800 1.0079 0 - 5355 H2O 1113 H2O H2 3 0.423800 1.0079 0 - 5356 H2O 1114 H2O O1 4 -0.847600 15.9994 0 - 5357 H2O 1114 H2O H1 3 0.423800 1.0079 0 - 5358 H2O 1114 H2O H2 3 0.423800 1.0079 0 - 5359 H2O 1115 H2O O1 4 -0.847600 15.9994 0 - 5360 H2O 1115 H2O H1 3 0.423800 1.0079 0 - 5361 H2O 1115 H2O H2 3 0.423800 1.0079 0 - 5362 H2O 1116 H2O O1 4 -0.847600 15.9994 0 - 5363 H2O 1116 H2O H1 3 0.423800 1.0079 0 - 5364 H2O 1116 H2O H2 3 0.423800 1.0079 0 - 5365 H2O 1117 H2O O1 4 -0.847600 15.9994 0 - 5366 H2O 1117 H2O H1 3 0.423800 1.0079 0 - 5367 H2O 1117 H2O H2 3 0.423800 1.0079 0 - 5368 H2O 1118 H2O O1 4 -0.847600 15.9994 0 - 5369 H2O 1118 H2O H1 3 0.423800 1.0079 0 - 5370 H2O 1118 H2O H2 3 0.423800 1.0079 0 - 5371 H2O 1119 H2O O1 4 -0.847600 15.9994 0 - 5372 H2O 1119 H2O H1 3 0.423800 1.0079 0 - 5373 H2O 1119 H2O H2 3 0.423800 1.0079 0 - 5374 H2O 1120 H2O O1 4 -0.847600 15.9994 0 - 5375 H2O 1120 H2O H1 3 0.423800 1.0079 0 - 5376 H2O 1120 H2O H2 3 0.423800 1.0079 0 - 5377 H2O 1121 H2O O1 4 -0.847600 15.9994 0 - 5378 H2O 1121 H2O H1 3 0.423800 1.0079 0 - 5379 H2O 1121 H2O H2 3 0.423800 1.0079 0 - 5380 H2O 1122 H2O O1 4 -0.847600 15.9994 0 - 5381 H2O 1122 H2O H1 3 0.423800 1.0079 0 - 5382 H2O 1122 H2O H2 3 0.423800 1.0079 0 - 5383 H2O 1123 H2O O1 4 -0.847600 15.9994 0 - 5384 H2O 1123 H2O H1 3 0.423800 1.0079 0 - 5385 H2O 1123 H2O H2 3 0.423800 1.0079 0 - 5386 H2O 1124 H2O O1 4 -0.847600 15.9994 0 - 5387 H2O 1124 H2O H1 3 0.423800 1.0079 0 - 5388 H2O 1124 H2O H2 3 0.423800 1.0079 0 - 5389 H2O 1125 H2O O1 4 -0.847600 15.9994 0 - 5390 H2O 1125 H2O H1 3 0.423800 1.0079 0 - 5391 H2O 1125 H2O H2 3 0.423800 1.0079 0 - 5392 H2O 1126 H2O O1 4 -0.847600 15.9994 0 - 5393 H2O 1126 H2O H1 3 0.423800 1.0079 0 - 5394 H2O 1126 H2O H2 3 0.423800 1.0079 0 - 5395 H2O 1127 H2O O1 4 -0.847600 15.9994 0 - 5396 H2O 1127 H2O H1 3 0.423800 1.0079 0 - 5397 H2O 1127 H2O H2 3 0.423800 1.0079 0 - 5398 H2O 1128 H2O O1 4 -0.847600 15.9994 0 - 5399 H2O 1128 H2O H1 3 0.423800 1.0079 0 - 5400 H2O 1128 H2O H2 3 0.423800 1.0079 0 - 5401 H2O 1129 H2O O1 4 -0.847600 15.9994 0 - 5402 H2O 1129 H2O H1 3 0.423800 1.0079 0 - 5403 H2O 1129 H2O H2 3 0.423800 1.0079 0 - 5404 H2O 1130 H2O O1 4 -0.847600 15.9994 0 - 5405 H2O 1130 H2O H1 3 0.423800 1.0079 0 - 5406 H2O 1130 H2O H2 3 0.423800 1.0079 0 - 5407 H2O 1131 H2O O1 4 -0.847600 15.9994 0 - 5408 H2O 1131 H2O H1 3 0.423800 1.0079 0 - 5409 H2O 1131 H2O H2 3 0.423800 1.0079 0 - 5410 H2O 1132 H2O O1 4 -0.847600 15.9994 0 - 5411 H2O 1132 H2O H1 3 0.423800 1.0079 0 - 5412 H2O 1132 H2O H2 3 0.423800 1.0079 0 - 5413 H2O 1133 H2O O1 4 -0.847600 15.9994 0 - 5414 H2O 1133 H2O H1 3 0.423800 1.0079 0 - 5415 H2O 1133 H2O H2 3 0.423800 1.0079 0 - 5416 H2O 1134 H2O O1 4 -0.847600 15.9994 0 - 5417 H2O 1134 H2O H1 3 0.423800 1.0079 0 - 5418 H2O 1134 H2O H2 3 0.423800 1.0079 0 - 5419 H2O 1135 H2O O1 4 -0.847600 15.9994 0 - 5420 H2O 1135 H2O H1 3 0.423800 1.0079 0 - 5421 H2O 1135 H2O H2 3 0.423800 1.0079 0 - 5422 H2O 1136 H2O O1 4 -0.847600 15.9994 0 - 5423 H2O 1136 H2O H1 3 0.423800 1.0079 0 - 5424 H2O 1136 H2O H2 3 0.423800 1.0079 0 - 5425 H2O 1137 H2O O1 4 -0.847600 15.9994 0 - 5426 H2O 1137 H2O H1 3 0.423800 1.0079 0 - 5427 H2O 1137 H2O H2 3 0.423800 1.0079 0 - 5428 H2O 1138 H2O O1 4 -0.847600 15.9994 0 - 5429 H2O 1138 H2O H1 3 0.423800 1.0079 0 - 5430 H2O 1138 H2O H2 3 0.423800 1.0079 0 - 5431 H2O 1139 H2O O1 4 -0.847600 15.9994 0 - 5432 H2O 1139 H2O H1 3 0.423800 1.0079 0 - 5433 H2O 1139 H2O H2 3 0.423800 1.0079 0 - 5434 H2O 1140 H2O O1 4 -0.847600 15.9994 0 - 5435 H2O 1140 H2O H1 3 0.423800 1.0079 0 - 5436 H2O 1140 H2O H2 3 0.423800 1.0079 0 - 5437 H2O 1141 H2O O1 4 -0.847600 15.9994 0 - 5438 H2O 1141 H2O H1 3 0.423800 1.0079 0 - 5439 H2O 1141 H2O H2 3 0.423800 1.0079 0 - 5440 H2O 1142 H2O O1 4 -0.847600 15.9994 0 - 5441 H2O 1142 H2O H1 3 0.423800 1.0079 0 - 5442 H2O 1142 H2O H2 3 0.423800 1.0079 0 - 5443 H2O 1143 H2O O1 4 -0.847600 15.9994 0 - 5444 H2O 1143 H2O H1 3 0.423800 1.0079 0 - 5445 H2O 1143 H2O H2 3 0.423800 1.0079 0 - 5446 H2O 1144 H2O O1 4 -0.847600 15.9994 0 - 5447 H2O 1144 H2O H1 3 0.423800 1.0079 0 - 5448 H2O 1144 H2O H2 3 0.423800 1.0079 0 - 5449 H2O 1145 H2O O1 4 -0.847600 15.9994 0 - 5450 H2O 1145 H2O H1 3 0.423800 1.0079 0 - 5451 H2O 1145 H2O H2 3 0.423800 1.0079 0 - 5452 H2O 1146 H2O O1 4 -0.847600 15.9994 0 - 5453 H2O 1146 H2O H1 3 0.423800 1.0079 0 - 5454 H2O 1146 H2O H2 3 0.423800 1.0079 0 - 5455 H2O 1147 H2O O1 4 -0.847600 15.9994 0 - 5456 H2O 1147 H2O H1 3 0.423800 1.0079 0 - 5457 H2O 1147 H2O H2 3 0.423800 1.0079 0 - 5458 H2O 1148 H2O O1 4 -0.847600 15.9994 0 - 5459 H2O 1148 H2O H1 3 0.423800 1.0079 0 - 5460 H2O 1148 H2O H2 3 0.423800 1.0079 0 - 5461 H2O 1149 H2O O1 4 -0.847600 15.9994 0 - 5462 H2O 1149 H2O H1 3 0.423800 1.0079 0 - 5463 H2O 1149 H2O H2 3 0.423800 1.0079 0 - 5464 H2O 1150 H2O O1 4 -0.847600 15.9994 0 - 5465 H2O 1150 H2O H1 3 0.423800 1.0079 0 - 5466 H2O 1150 H2O H2 3 0.423800 1.0079 0 - 5467 H2O 1151 H2O O1 4 -0.847600 15.9994 0 - 5468 H2O 1151 H2O H1 3 0.423800 1.0079 0 - 5469 H2O 1151 H2O H2 3 0.423800 1.0079 0 - 5470 H2O 1152 H2O O1 4 -0.847600 15.9994 0 - 5471 H2O 1152 H2O H1 3 0.423800 1.0079 0 - 5472 H2O 1152 H2O H2 3 0.423800 1.0079 0 - 5473 H2O 1153 H2O O1 4 -0.847600 15.9994 0 - 5474 H2O 1153 H2O H1 3 0.423800 1.0079 0 - 5475 H2O 1153 H2O H2 3 0.423800 1.0079 0 - 5476 H2O 1154 H2O O1 4 -0.847600 15.9994 0 - 5477 H2O 1154 H2O H1 3 0.423800 1.0079 0 - 5478 H2O 1154 H2O H2 3 0.423800 1.0079 0 - 5479 H2O 1155 H2O O1 4 -0.847600 15.9994 0 - 5480 H2O 1155 H2O H1 3 0.423800 1.0079 0 - 5481 H2O 1155 H2O H2 3 0.423800 1.0079 0 - 5482 H2O 1156 H2O O1 4 -0.847600 15.9994 0 - 5483 H2O 1156 H2O H1 3 0.423800 1.0079 0 - 5484 H2O 1156 H2O H2 3 0.423800 1.0079 0 - 5485 H2O 1157 H2O O1 4 -0.847600 15.9994 0 - 5486 H2O 1157 H2O H1 3 0.423800 1.0079 0 - 5487 H2O 1157 H2O H2 3 0.423800 1.0079 0 - 5488 H2O 1158 H2O O1 4 -0.847600 15.9994 0 - 5489 H2O 1158 H2O H1 3 0.423800 1.0079 0 - 5490 H2O 1158 H2O H2 3 0.423800 1.0079 0 - 5491 H2O 1159 H2O O1 4 -0.847600 15.9994 0 - 5492 H2O 1159 H2O H1 3 0.423800 1.0079 0 - 5493 H2O 1159 H2O H2 3 0.423800 1.0079 0 - 5494 H2O 1160 H2O O1 4 -0.847600 15.9994 0 - 5495 H2O 1160 H2O H1 3 0.423800 1.0079 0 - 5496 H2O 1160 H2O H2 3 0.423800 1.0079 0 - 5497 H2O 1161 H2O O1 4 -0.847600 15.9994 0 - 5498 H2O 1161 H2O H1 3 0.423800 1.0079 0 - 5499 H2O 1161 H2O H2 3 0.423800 1.0079 0 - 5500 H2O 1162 H2O O1 4 -0.847600 15.9994 0 - 5501 H2O 1162 H2O H1 3 0.423800 1.0079 0 - 5502 H2O 1162 H2O H2 3 0.423800 1.0079 0 - 5503 H2O 1163 H2O O1 4 -0.847600 15.9994 0 - 5504 H2O 1163 H2O H1 3 0.423800 1.0079 0 - 5505 H2O 1163 H2O H2 3 0.423800 1.0079 0 - 5506 H2O 1164 H2O O1 4 -0.847600 15.9994 0 - 5507 H2O 1164 H2O H1 3 0.423800 1.0079 0 - 5508 H2O 1164 H2O H2 3 0.423800 1.0079 0 - 5509 H2O 1165 H2O O1 4 -0.847600 15.9994 0 - 5510 H2O 1165 H2O H1 3 0.423800 1.0079 0 - 5511 H2O 1165 H2O H2 3 0.423800 1.0079 0 - 5512 H2O 1166 H2O O1 4 -0.847600 15.9994 0 - 5513 H2O 1166 H2O H1 3 0.423800 1.0079 0 - 5514 H2O 1166 H2O H2 3 0.423800 1.0079 0 - 5515 H2O 1167 H2O O1 4 -0.847600 15.9994 0 - 5516 H2O 1167 H2O H1 3 0.423800 1.0079 0 - 5517 H2O 1167 H2O H2 3 0.423800 1.0079 0 - 5518 H2O 1168 H2O O1 4 -0.847600 15.9994 0 - 5519 H2O 1168 H2O H1 3 0.423800 1.0079 0 - 5520 H2O 1168 H2O H2 3 0.423800 1.0079 0 - 5521 H2O 1169 H2O O1 4 -0.847600 15.9994 0 - 5522 H2O 1169 H2O H1 3 0.423800 1.0079 0 - 5523 H2O 1169 H2O H2 3 0.423800 1.0079 0 - 5524 H2O 1170 H2O O1 4 -0.847600 15.9994 0 - 5525 H2O 1170 H2O H1 3 0.423800 1.0079 0 - 5526 H2O 1170 H2O H2 3 0.423800 1.0079 0 - 5527 H2O 1171 H2O O1 4 -0.847600 15.9994 0 - 5528 H2O 1171 H2O H1 3 0.423800 1.0079 0 - 5529 H2O 1171 H2O H2 3 0.423800 1.0079 0 - 5530 H2O 1172 H2O O1 4 -0.847600 15.9994 0 - 5531 H2O 1172 H2O H1 3 0.423800 1.0079 0 - 5532 H2O 1172 H2O H2 3 0.423800 1.0079 0 - 5533 H2O 1173 H2O O1 4 -0.847600 15.9994 0 - 5534 H2O 1173 H2O H1 3 0.423800 1.0079 0 - 5535 H2O 1173 H2O H2 3 0.423800 1.0079 0 - 5536 H2O 1174 H2O O1 4 -0.847600 15.9994 0 - 5537 H2O 1174 H2O H1 3 0.423800 1.0079 0 - 5538 H2O 1174 H2O H2 3 0.423800 1.0079 0 - 5539 H2O 1175 H2O O1 4 -0.847600 15.9994 0 - 5540 H2O 1175 H2O H1 3 0.423800 1.0079 0 - 5541 H2O 1175 H2O H2 3 0.423800 1.0079 0 - 5542 H2O 1176 H2O O1 4 -0.847600 15.9994 0 - 5543 H2O 1176 H2O H1 3 0.423800 1.0079 0 - 5544 H2O 1176 H2O H2 3 0.423800 1.0079 0 - 5545 H2O 1177 H2O O1 4 -0.847600 15.9994 0 - 5546 H2O 1177 H2O H1 3 0.423800 1.0079 0 - 5547 H2O 1177 H2O H2 3 0.423800 1.0079 0 - 5548 H2O 1178 H2O O1 4 -0.847600 15.9994 0 - 5549 H2O 1178 H2O H1 3 0.423800 1.0079 0 - 5550 H2O 1178 H2O H2 3 0.423800 1.0079 0 - 5551 H2O 1179 H2O O1 4 -0.847600 15.9994 0 - 5552 H2O 1179 H2O H1 3 0.423800 1.0079 0 - 5553 H2O 1179 H2O H2 3 0.423800 1.0079 0 - 5554 H2O 1180 H2O O1 4 -0.847600 15.9994 0 - 5555 H2O 1180 H2O H1 3 0.423800 1.0079 0 - 5556 H2O 1180 H2O H2 3 0.423800 1.0079 0 - 5557 H2O 1181 H2O O1 4 -0.847600 15.9994 0 - 5558 H2O 1181 H2O H1 3 0.423800 1.0079 0 - 5559 H2O 1181 H2O H2 3 0.423800 1.0079 0 - 5560 H2O 1182 H2O O1 4 -0.847600 15.9994 0 - 5561 H2O 1182 H2O H1 3 0.423800 1.0079 0 - 5562 H2O 1182 H2O H2 3 0.423800 1.0079 0 - 5563 H2O 1183 H2O O1 4 -0.847600 15.9994 0 - 5564 H2O 1183 H2O H1 3 0.423800 1.0079 0 - 5565 H2O 1183 H2O H2 3 0.423800 1.0079 0 - 5566 H2O 1184 H2O O1 4 -0.847600 15.9994 0 - 5567 H2O 1184 H2O H1 3 0.423800 1.0079 0 - 5568 H2O 1184 H2O H2 3 0.423800 1.0079 0 - 5569 H2O 1185 H2O O1 4 -0.847600 15.9994 0 - 5570 H2O 1185 H2O H1 3 0.423800 1.0079 0 - 5571 H2O 1185 H2O H2 3 0.423800 1.0079 0 - 5572 H2O 1186 H2O O1 4 -0.847600 15.9994 0 - 5573 H2O 1186 H2O H1 3 0.423800 1.0079 0 - 5574 H2O 1186 H2O H2 3 0.423800 1.0079 0 - 5575 H2O 1187 H2O O1 4 -0.847600 15.9994 0 - 5576 H2O 1187 H2O H1 3 0.423800 1.0079 0 - 5577 H2O 1187 H2O H2 3 0.423800 1.0079 0 - 5578 H2O 1188 H2O O1 4 -0.847600 15.9994 0 - 5579 H2O 1188 H2O H1 3 0.423800 1.0079 0 - 5580 H2O 1188 H2O H2 3 0.423800 1.0079 0 - 5581 H2O 1189 H2O O1 4 -0.847600 15.9994 0 - 5582 H2O 1189 H2O H1 3 0.423800 1.0079 0 - 5583 H2O 1189 H2O H2 3 0.423800 1.0079 0 - 5584 H2O 1190 H2O O1 4 -0.847600 15.9994 0 - 5585 H2O 1190 H2O H1 3 0.423800 1.0079 0 - 5586 H2O 1190 H2O H2 3 0.423800 1.0079 0 - 5587 H2O 1191 H2O O1 4 -0.847600 15.9994 0 - 5588 H2O 1191 H2O H1 3 0.423800 1.0079 0 - 5589 H2O 1191 H2O H2 3 0.423800 1.0079 0 - 5590 H2O 1192 H2O O1 4 -0.847600 15.9994 0 - 5591 H2O 1192 H2O H1 3 0.423800 1.0079 0 - 5592 H2O 1192 H2O H2 3 0.423800 1.0079 0 - 5593 H2O 1193 H2O O1 4 -0.847600 15.9994 0 - 5594 H2O 1193 H2O H1 3 0.423800 1.0079 0 - 5595 H2O 1193 H2O H2 3 0.423800 1.0079 0 - 5596 H2O 1194 H2O O1 4 -0.847600 15.9994 0 - 5597 H2O 1194 H2O H1 3 0.423800 1.0079 0 - 5598 H2O 1194 H2O H2 3 0.423800 1.0079 0 - 5599 H2O 1195 H2O O1 4 -0.847600 15.9994 0 - 5600 H2O 1195 H2O H1 3 0.423800 1.0079 0 - 5601 H2O 1195 H2O H2 3 0.423800 1.0079 0 - 5602 H2O 1196 H2O O1 4 -0.847600 15.9994 0 - 5603 H2O 1196 H2O H1 3 0.423800 1.0079 0 - 5604 H2O 1196 H2O H2 3 0.423800 1.0079 0 - 5605 H2O 1197 H2O O1 4 -0.847600 15.9994 0 - 5606 H2O 1197 H2O H1 3 0.423800 1.0079 0 - 5607 H2O 1197 H2O H2 3 0.423800 1.0079 0 - 5608 H2O 1198 H2O O1 4 -0.847600 15.9994 0 - 5609 H2O 1198 H2O H1 3 0.423800 1.0079 0 - 5610 H2O 1198 H2O H2 3 0.423800 1.0079 0 - 5611 H2O 1199 H2O O1 4 -0.847600 15.9994 0 - 5612 H2O 1199 H2O H1 3 0.423800 1.0079 0 - 5613 H2O 1199 H2O H2 3 0.423800 1.0079 0 - 5614 H2O 1200 H2O O1 4 -0.847600 15.9994 0 - 5615 H2O 1200 H2O H1 3 0.423800 1.0079 0 - 5616 H2O 1200 H2O H2 3 0.423800 1.0079 0 - 5617 H2O 1201 H2O O1 4 -0.847600 15.9994 0 - 5618 H2O 1201 H2O H1 3 0.423800 1.0079 0 - 5619 H2O 1201 H2O H2 3 0.423800 1.0079 0 - 5620 H2O 1202 H2O O1 4 -0.847600 15.9994 0 - 5621 H2O 1202 H2O H1 3 0.423800 1.0079 0 - 5622 H2O 1202 H2O H2 3 0.423800 1.0079 0 - 5623 H2O 1203 H2O O1 4 -0.847600 15.9994 0 - 5624 H2O 1203 H2O H1 3 0.423800 1.0079 0 - 5625 H2O 1203 H2O H2 3 0.423800 1.0079 0 - 5626 H2O 1204 H2O O1 4 -0.847600 15.9994 0 - 5627 H2O 1204 H2O H1 3 0.423800 1.0079 0 - 5628 H2O 1204 H2O H2 3 0.423800 1.0079 0 - 5629 H2O 1205 H2O O1 4 -0.847600 15.9994 0 - 5630 H2O 1205 H2O H1 3 0.423800 1.0079 0 - 5631 H2O 1205 H2O H2 3 0.423800 1.0079 0 - 5632 H2O 1206 H2O O1 4 -0.847600 15.9994 0 - 5633 H2O 1206 H2O H1 3 0.423800 1.0079 0 - 5634 H2O 1206 H2O H2 3 0.423800 1.0079 0 - 5635 H2O 1207 H2O O1 4 -0.847600 15.9994 0 - 5636 H2O 1207 H2O H1 3 0.423800 1.0079 0 - 5637 H2O 1207 H2O H2 3 0.423800 1.0079 0 - 5638 H2O 1208 H2O O1 4 -0.847600 15.9994 0 - 5639 H2O 1208 H2O H1 3 0.423800 1.0079 0 - 5640 H2O 1208 H2O H2 3 0.423800 1.0079 0 - 5641 H2O 1209 H2O O1 4 -0.847600 15.9994 0 - 5642 H2O 1209 H2O H1 3 0.423800 1.0079 0 - 5643 H2O 1209 H2O H2 3 0.423800 1.0079 0 - 5644 H2O 1210 H2O O1 4 -0.847600 15.9994 0 - 5645 H2O 1210 H2O H1 3 0.423800 1.0079 0 - 5646 H2O 1210 H2O H2 3 0.423800 1.0079 0 - 5647 H2O 1211 H2O O1 4 -0.847600 15.9994 0 - 5648 H2O 1211 H2O H1 3 0.423800 1.0079 0 - 5649 H2O 1211 H2O H2 3 0.423800 1.0079 0 - 5650 H2O 1212 H2O O1 4 -0.847600 15.9994 0 - 5651 H2O 1212 H2O H1 3 0.423800 1.0079 0 - 5652 H2O 1212 H2O H2 3 0.423800 1.0079 0 - 5653 H2O 1213 H2O O1 4 -0.847600 15.9994 0 - 5654 H2O 1213 H2O H1 3 0.423800 1.0079 0 - 5655 H2O 1213 H2O H2 3 0.423800 1.0079 0 - 5656 H2O 1214 H2O O1 4 -0.847600 15.9994 0 - 5657 H2O 1214 H2O H1 3 0.423800 1.0079 0 - 5658 H2O 1214 H2O H2 3 0.423800 1.0079 0 - 5659 H2O 1215 H2O O1 4 -0.847600 15.9994 0 - 5660 H2O 1215 H2O H1 3 0.423800 1.0079 0 - 5661 H2O 1215 H2O H2 3 0.423800 1.0079 0 - 5662 H2O 1216 H2O O1 4 -0.847600 15.9994 0 - 5663 H2O 1216 H2O H1 3 0.423800 1.0079 0 - 5664 H2O 1216 H2O H2 3 0.423800 1.0079 0 - 5665 H2O 1217 H2O O1 4 -0.847600 15.9994 0 - 5666 H2O 1217 H2O H1 3 0.423800 1.0079 0 - 5667 H2O 1217 H2O H2 3 0.423800 1.0079 0 - 5668 H2O 1218 H2O O1 4 -0.847600 15.9994 0 - 5669 H2O 1218 H2O H1 3 0.423800 1.0079 0 - 5670 H2O 1218 H2O H2 3 0.423800 1.0079 0 - 5671 H2O 1219 H2O O1 4 -0.847600 15.9994 0 - 5672 H2O 1219 H2O H1 3 0.423800 1.0079 0 - 5673 H2O 1219 H2O H2 3 0.423800 1.0079 0 - 5674 H2O 1220 H2O O1 4 -0.847600 15.9994 0 - 5675 H2O 1220 H2O H1 3 0.423800 1.0079 0 - 5676 H2O 1220 H2O H2 3 0.423800 1.0079 0 - 5677 H2O 1221 H2O O1 4 -0.847600 15.9994 0 - 5678 H2O 1221 H2O H1 3 0.423800 1.0079 0 - 5679 H2O 1221 H2O H2 3 0.423800 1.0079 0 - 5680 H2O 1222 H2O O1 4 -0.847600 15.9994 0 - 5681 H2O 1222 H2O H1 3 0.423800 1.0079 0 - 5682 H2O 1222 H2O H2 3 0.423800 1.0079 0 - 5683 H2O 1223 H2O O1 4 -0.847600 15.9994 0 - 5684 H2O 1223 H2O H1 3 0.423800 1.0079 0 - 5685 H2O 1223 H2O H2 3 0.423800 1.0079 0 - 5686 H2O 1224 H2O O1 4 -0.847600 15.9994 0 - 5687 H2O 1224 H2O H1 3 0.423800 1.0079 0 - 5688 H2O 1224 H2O H2 3 0.423800 1.0079 0 - 5689 H2O 1225 H2O O1 4 -0.847600 15.9994 0 - 5690 H2O 1225 H2O H1 3 0.423800 1.0079 0 - 5691 H2O 1225 H2O H2 3 0.423800 1.0079 0 - 5692 H2O 1226 H2O O1 4 -0.847600 15.9994 0 - 5693 H2O 1226 H2O H1 3 0.423800 1.0079 0 - 5694 H2O 1226 H2O H2 3 0.423800 1.0079 0 - 5695 H2O 1227 H2O O1 4 -0.847600 15.9994 0 - 5696 H2O 1227 H2O H1 3 0.423800 1.0079 0 - 5697 H2O 1227 H2O H2 3 0.423800 1.0079 0 - 5698 H2O 1228 H2O O1 4 -0.847600 15.9994 0 - 5699 H2O 1228 H2O H1 3 0.423800 1.0079 0 - 5700 H2O 1228 H2O H2 3 0.423800 1.0079 0 - 5701 H2O 1229 H2O O1 4 -0.847600 15.9994 0 - 5702 H2O 1229 H2O H1 3 0.423800 1.0079 0 - 5703 H2O 1229 H2O H2 3 0.423800 1.0079 0 - 5704 H2O 1230 H2O O1 4 -0.847600 15.9994 0 - 5705 H2O 1230 H2O H1 3 0.423800 1.0079 0 - 5706 H2O 1230 H2O H2 3 0.423800 1.0079 0 - 5707 H2O 1231 H2O O1 4 -0.847600 15.9994 0 - 5708 H2O 1231 H2O H1 3 0.423800 1.0079 0 - 5709 H2O 1231 H2O H2 3 0.423800 1.0079 0 - 5710 H2O 1232 H2O O1 4 -0.847600 15.9994 0 - 5711 H2O 1232 H2O H1 3 0.423800 1.0079 0 - 5712 H2O 1232 H2O H2 3 0.423800 1.0079 0 - 5713 H2O 1233 H2O O1 4 -0.847600 15.9994 0 - 5714 H2O 1233 H2O H1 3 0.423800 1.0079 0 - 5715 H2O 1233 H2O H2 3 0.423800 1.0079 0 - 5716 H2O 1234 H2O O1 4 -0.847600 15.9994 0 - 5717 H2O 1234 H2O H1 3 0.423800 1.0079 0 - 5718 H2O 1234 H2O H2 3 0.423800 1.0079 0 - 5719 H2O 1235 H2O O1 4 -0.847600 15.9994 0 - 5720 H2O 1235 H2O H1 3 0.423800 1.0079 0 - 5721 H2O 1235 H2O H2 3 0.423800 1.0079 0 - 5722 H2O 1236 H2O O1 4 -0.847600 15.9994 0 - 5723 H2O 1236 H2O H1 3 0.423800 1.0079 0 - 5724 H2O 1236 H2O H2 3 0.423800 1.0079 0 - 5725 H2O 1237 H2O O1 4 -0.847600 15.9994 0 - 5726 H2O 1237 H2O H1 3 0.423800 1.0079 0 - 5727 H2O 1237 H2O H2 3 0.423800 1.0079 0 - 5728 H2O 1238 H2O O1 4 -0.847600 15.9994 0 - 5729 H2O 1238 H2O H1 3 0.423800 1.0079 0 - 5730 H2O 1238 H2O H2 3 0.423800 1.0079 0 - 5731 H2O 1239 H2O O1 4 -0.847600 15.9994 0 - 5732 H2O 1239 H2O H1 3 0.423800 1.0079 0 - 5733 H2O 1239 H2O H2 3 0.423800 1.0079 0 - 5734 H2O 1240 H2O O1 4 -0.847600 15.9994 0 - 5735 H2O 1240 H2O H1 3 0.423800 1.0079 0 - 5736 H2O 1240 H2O H2 3 0.423800 1.0079 0 - 5737 H2O 1241 H2O O1 4 -0.847600 15.9994 0 - 5738 H2O 1241 H2O H1 3 0.423800 1.0079 0 - 5739 H2O 1241 H2O H2 3 0.423800 1.0079 0 - 5740 H2O 1242 H2O O1 4 -0.847600 15.9994 0 - 5741 H2O 1242 H2O H1 3 0.423800 1.0079 0 - 5742 H2O 1242 H2O H2 3 0.423800 1.0079 0 - 5743 H2O 1243 H2O O1 4 -0.847600 15.9994 0 - 5744 H2O 1243 H2O H1 3 0.423800 1.0079 0 - 5745 H2O 1243 H2O H2 3 0.423800 1.0079 0 - 5746 H2O 1244 H2O O1 4 -0.847600 15.9994 0 - 5747 H2O 1244 H2O H1 3 0.423800 1.0079 0 - 5748 H2O 1244 H2O H2 3 0.423800 1.0079 0 - 5749 H2O 1245 H2O O1 4 -0.847600 15.9994 0 - 5750 H2O 1245 H2O H1 3 0.423800 1.0079 0 - 5751 H2O 1245 H2O H2 3 0.423800 1.0079 0 - 5752 H2O 1246 H2O O1 4 -0.847600 15.9994 0 - 5753 H2O 1246 H2O H1 3 0.423800 1.0079 0 - 5754 H2O 1246 H2O H2 3 0.423800 1.0079 0 - 5755 H2O 1247 H2O O1 4 -0.847600 15.9994 0 - 5756 H2O 1247 H2O H1 3 0.423800 1.0079 0 - 5757 H2O 1247 H2O H2 3 0.423800 1.0079 0 - 5758 H2O 1248 H2O O1 4 -0.847600 15.9994 0 - 5759 H2O 1248 H2O H1 3 0.423800 1.0079 0 - 5760 H2O 1248 H2O H2 3 0.423800 1.0079 0 - 5761 H2O 1249 H2O O1 4 -0.847600 15.9994 0 - 5762 H2O 1249 H2O H1 3 0.423800 1.0079 0 - 5763 H2O 1249 H2O H2 3 0.423800 1.0079 0 - 5764 H2O 1250 H2O O1 4 -0.847600 15.9994 0 - 5765 H2O 1250 H2O H1 3 0.423800 1.0079 0 - 5766 H2O 1250 H2O H2 3 0.423800 1.0079 0 - 5767 H2O 1251 H2O O1 4 -0.847600 15.9994 0 - 5768 H2O 1251 H2O H1 3 0.423800 1.0079 0 - 5769 H2O 1251 H2O H2 3 0.423800 1.0079 0 - 5770 H2O 1252 H2O O1 4 -0.847600 15.9994 0 - 5771 H2O 1252 H2O H1 3 0.423800 1.0079 0 - 5772 H2O 1252 H2O H2 3 0.423800 1.0079 0 - 5773 H2O 1253 H2O O1 4 -0.847600 15.9994 0 - 5774 H2O 1253 H2O H1 3 0.423800 1.0079 0 - 5775 H2O 1253 H2O H2 3 0.423800 1.0079 0 - 5776 H2O 1254 H2O O1 4 -0.847600 15.9994 0 - 5777 H2O 1254 H2O H1 3 0.423800 1.0079 0 - 5778 H2O 1254 H2O H2 3 0.423800 1.0079 0 - 5779 H2O 1255 H2O O1 4 -0.847600 15.9994 0 - 5780 H2O 1255 H2O H1 3 0.423800 1.0079 0 - 5781 H2O 1255 H2O H2 3 0.423800 1.0079 0 - 5782 H2O 1256 H2O O1 4 -0.847600 15.9994 0 - 5783 H2O 1256 H2O H1 3 0.423800 1.0079 0 - 5784 H2O 1256 H2O H2 3 0.423800 1.0079 0 - 5785 H2O 1257 H2O O1 4 -0.847600 15.9994 0 - 5786 H2O 1257 H2O H1 3 0.423800 1.0079 0 - 5787 H2O 1257 H2O H2 3 0.423800 1.0079 0 - 5788 H2O 1258 H2O O1 4 -0.847600 15.9994 0 - 5789 H2O 1258 H2O H1 3 0.423800 1.0079 0 - 5790 H2O 1258 H2O H2 3 0.423800 1.0079 0 - 5791 H2O 1259 H2O O1 4 -0.847600 15.9994 0 - 5792 H2O 1259 H2O H1 3 0.423800 1.0079 0 - 5793 H2O 1259 H2O H2 3 0.423800 1.0079 0 - 5794 H2O 1260 H2O O1 4 -0.847600 15.9994 0 - 5795 H2O 1260 H2O H1 3 0.423800 1.0079 0 - 5796 H2O 1260 H2O H2 3 0.423800 1.0079 0 - 5797 H2O 1261 H2O O1 4 -0.847600 15.9994 0 - 5798 H2O 1261 H2O H1 3 0.423800 1.0079 0 - 5799 H2O 1261 H2O H2 3 0.423800 1.0079 0 - 5800 H2O 1262 H2O O1 4 -0.847600 15.9994 0 - 5801 H2O 1262 H2O H1 3 0.423800 1.0079 0 - 5802 H2O 1262 H2O H2 3 0.423800 1.0079 0 - 5803 H2O 1263 H2O O1 4 -0.847600 15.9994 0 - 5804 H2O 1263 H2O H1 3 0.423800 1.0079 0 - 5805 H2O 1263 H2O H2 3 0.423800 1.0079 0 - 5806 H2O 1264 H2O O1 4 -0.847600 15.9994 0 - 5807 H2O 1264 H2O H1 3 0.423800 1.0079 0 - 5808 H2O 1264 H2O H2 3 0.423800 1.0079 0 - 5809 H2O 1265 H2O O1 4 -0.847600 15.9994 0 - 5810 H2O 1265 H2O H1 3 0.423800 1.0079 0 - 5811 H2O 1265 H2O H2 3 0.423800 1.0079 0 - 5812 H2O 1266 H2O O1 4 -0.847600 15.9994 0 - 5813 H2O 1266 H2O H1 3 0.423800 1.0079 0 - 5814 H2O 1266 H2O H2 3 0.423800 1.0079 0 - 5815 H2O 1267 H2O O1 4 -0.847600 15.9994 0 - 5816 H2O 1267 H2O H1 3 0.423800 1.0079 0 - 5817 H2O 1267 H2O H2 3 0.423800 1.0079 0 - 5818 H2O 1268 H2O O1 4 -0.847600 15.9994 0 - 5819 H2O 1268 H2O H1 3 0.423800 1.0079 0 - 5820 H2O 1268 H2O H2 3 0.423800 1.0079 0 - 5821 H2O 1269 H2O O1 4 -0.847600 15.9994 0 - 5822 H2O 1269 H2O H1 3 0.423800 1.0079 0 - 5823 H2O 1269 H2O H2 3 0.423800 1.0079 0 - 5824 H2O 1270 H2O O1 4 -0.847600 15.9994 0 - 5825 H2O 1270 H2O H1 3 0.423800 1.0079 0 - 5826 H2O 1270 H2O H2 3 0.423800 1.0079 0 - 5827 H2O 1271 H2O O1 4 -0.847600 15.9994 0 - 5828 H2O 1271 H2O H1 3 0.423800 1.0079 0 - 5829 H2O 1271 H2O H2 3 0.423800 1.0079 0 - 5830 H2O 1272 H2O O1 4 -0.847600 15.9994 0 - 5831 H2O 1272 H2O H1 3 0.423800 1.0079 0 - 5832 H2O 1272 H2O H2 3 0.423800 1.0079 0 - 5833 H2O 1273 H2O O1 4 -0.847600 15.9994 0 - 5834 H2O 1273 H2O H1 3 0.423800 1.0079 0 - 5835 H2O 1273 H2O H2 3 0.423800 1.0079 0 - 5836 H2O 1274 H2O O1 4 -0.847600 15.9994 0 - 5837 H2O 1274 H2O H1 3 0.423800 1.0079 0 - 5838 H2O 1274 H2O H2 3 0.423800 1.0079 0 - 5839 H2O 1275 H2O O1 4 -0.847600 15.9994 0 - 5840 H2O 1275 H2O H1 3 0.423800 1.0079 0 - 5841 H2O 1275 H2O H2 3 0.423800 1.0079 0 - 5842 H2O 1276 H2O O1 4 -0.847600 15.9994 0 - 5843 H2O 1276 H2O H1 3 0.423800 1.0079 0 - 5844 H2O 1276 H2O H2 3 0.423800 1.0079 0 - 5845 H2O 1277 H2O O1 4 -0.847600 15.9994 0 - 5846 H2O 1277 H2O H1 3 0.423800 1.0079 0 - 5847 H2O 1277 H2O H2 3 0.423800 1.0079 0 - 5848 H2O 1278 H2O O1 4 -0.847600 15.9994 0 - 5849 H2O 1278 H2O H1 3 0.423800 1.0079 0 - 5850 H2O 1278 H2O H2 3 0.423800 1.0079 0 - 5851 H2O 1279 H2O O1 4 -0.847600 15.9994 0 - 5852 H2O 1279 H2O H1 3 0.423800 1.0079 0 - 5853 H2O 1279 H2O H2 3 0.423800 1.0079 0 - 5854 H2O 1280 H2O O1 4 -0.847600 15.9994 0 - 5855 H2O 1280 H2O H1 3 0.423800 1.0079 0 - 5856 H2O 1280 H2O H2 3 0.423800 1.0079 0 - 5857 H2O 1281 H2O O1 4 -0.847600 15.9994 0 - 5858 H2O 1281 H2O H1 3 0.423800 1.0079 0 - 5859 H2O 1281 H2O H2 3 0.423800 1.0079 0 - 5860 H2O 1282 H2O O1 4 -0.847600 15.9994 0 - 5861 H2O 1282 H2O H1 3 0.423800 1.0079 0 - 5862 H2O 1282 H2O H2 3 0.423800 1.0079 0 - 5863 H2O 1283 H2O O1 4 -0.847600 15.9994 0 - 5864 H2O 1283 H2O H1 3 0.423800 1.0079 0 - 5865 H2O 1283 H2O H2 3 0.423800 1.0079 0 - 5866 H2O 1284 H2O O1 4 -0.847600 15.9994 0 - 5867 H2O 1284 H2O H1 3 0.423800 1.0079 0 - 5868 H2O 1284 H2O H2 3 0.423800 1.0079 0 - 5869 H2O 1285 H2O O1 4 -0.847600 15.9994 0 - 5870 H2O 1285 H2O H1 3 0.423800 1.0079 0 - 5871 H2O 1285 H2O H2 3 0.423800 1.0079 0 - 5872 H2O 1286 H2O O1 4 -0.847600 15.9994 0 - 5873 H2O 1286 H2O H1 3 0.423800 1.0079 0 - 5874 H2O 1286 H2O H2 3 0.423800 1.0079 0 - 5875 H2O 1287 H2O O1 4 -0.847600 15.9994 0 - 5876 H2O 1287 H2O H1 3 0.423800 1.0079 0 - 5877 H2O 1287 H2O H2 3 0.423800 1.0079 0 - 5878 H2O 1288 H2O O1 4 -0.847600 15.9994 0 - 5879 H2O 1288 H2O H1 3 0.423800 1.0079 0 - 5880 H2O 1288 H2O H2 3 0.423800 1.0079 0 - 5881 H2O 1289 H2O O1 4 -0.847600 15.9994 0 - 5882 H2O 1289 H2O H1 3 0.423800 1.0079 0 - 5883 H2O 1289 H2O H2 3 0.423800 1.0079 0 - 5884 H2O 1290 H2O O1 4 -0.847600 15.9994 0 - 5885 H2O 1290 H2O H1 3 0.423800 1.0079 0 - 5886 H2O 1290 H2O H2 3 0.423800 1.0079 0 - 5887 H2O 1291 H2O O1 4 -0.847600 15.9994 0 - 5888 H2O 1291 H2O H1 3 0.423800 1.0079 0 - 5889 H2O 1291 H2O H2 3 0.423800 1.0079 0 - 5890 H2O 1292 H2O O1 4 -0.847600 15.9994 0 - 5891 H2O 1292 H2O H1 3 0.423800 1.0079 0 - 5892 H2O 1292 H2O H2 3 0.423800 1.0079 0 - 5893 H2O 1293 H2O O1 4 -0.847600 15.9994 0 - 5894 H2O 1293 H2O H1 3 0.423800 1.0079 0 - 5895 H2O 1293 H2O H2 3 0.423800 1.0079 0 - 5896 H2O 1294 H2O O1 4 -0.847600 15.9994 0 - 5897 H2O 1294 H2O H1 3 0.423800 1.0079 0 - 5898 H2O 1294 H2O H2 3 0.423800 1.0079 0 - 5899 H2O 1295 H2O O1 4 -0.847600 15.9994 0 - 5900 H2O 1295 H2O H1 3 0.423800 1.0079 0 - 5901 H2O 1295 H2O H2 3 0.423800 1.0079 0 - 5902 H2O 1296 H2O O1 4 -0.847600 15.9994 0 - 5903 H2O 1296 H2O H1 3 0.423800 1.0079 0 - 5904 H2O 1296 H2O H2 3 0.423800 1.0079 0 - 5905 H2O 1297 H2O O1 4 -0.847600 15.9994 0 - 5906 H2O 1297 H2O H1 3 0.423800 1.0079 0 - 5907 H2O 1297 H2O H2 3 0.423800 1.0079 0 - 5908 H2O 1298 H2O O1 4 -0.847600 15.9994 0 - 5909 H2O 1298 H2O H1 3 0.423800 1.0079 0 - 5910 H2O 1298 H2O H2 3 0.423800 1.0079 0 - 5911 H2O 1299 H2O O1 4 -0.847600 15.9994 0 - 5912 H2O 1299 H2O H1 3 0.423800 1.0079 0 - 5913 H2O 1299 H2O H2 3 0.423800 1.0079 0 - 5914 H2O 1300 H2O O1 4 -0.847600 15.9994 0 - 5915 H2O 1300 H2O H1 3 0.423800 1.0079 0 - 5916 H2O 1300 H2O H2 3 0.423800 1.0079 0 - 5917 H2O 1301 H2O O1 4 -0.847600 15.9994 0 - 5918 H2O 1301 H2O H1 3 0.423800 1.0079 0 - 5919 H2O 1301 H2O H2 3 0.423800 1.0079 0 - 5920 H2O 1302 H2O O1 4 -0.847600 15.9994 0 - 5921 H2O 1302 H2O H1 3 0.423800 1.0079 0 - 5922 H2O 1302 H2O H2 3 0.423800 1.0079 0 - 5923 H2O 1303 H2O O1 4 -0.847600 15.9994 0 - 5924 H2O 1303 H2O H1 3 0.423800 1.0079 0 - 5925 H2O 1303 H2O H2 3 0.423800 1.0079 0 - 5926 H2O 1304 H2O O1 4 -0.847600 15.9994 0 - 5927 H2O 1304 H2O H1 3 0.423800 1.0079 0 - 5928 H2O 1304 H2O H2 3 0.423800 1.0079 0 - 5929 H2O 1305 H2O O1 4 -0.847600 15.9994 0 - 5930 H2O 1305 H2O H1 3 0.423800 1.0079 0 - 5931 H2O 1305 H2O H2 3 0.423800 1.0079 0 - 5932 H2O 1306 H2O O1 4 -0.847600 15.9994 0 - 5933 H2O 1306 H2O H1 3 0.423800 1.0079 0 - 5934 H2O 1306 H2O H2 3 0.423800 1.0079 0 - 5935 H2O 1307 H2O O1 4 -0.847600 15.9994 0 - 5936 H2O 1307 H2O H1 3 0.423800 1.0079 0 - 5937 H2O 1307 H2O H2 3 0.423800 1.0079 0 - 5938 H2O 1308 H2O O1 4 -0.847600 15.9994 0 - 5939 H2O 1308 H2O H1 3 0.423800 1.0079 0 - 5940 H2O 1308 H2O H2 3 0.423800 1.0079 0 - 5941 H2O 1309 H2O O1 4 -0.847600 15.9994 0 - 5942 H2O 1309 H2O H1 3 0.423800 1.0079 0 - 5943 H2O 1309 H2O H2 3 0.423800 1.0079 0 - 5944 H2O 1310 H2O O1 4 -0.847600 15.9994 0 - 5945 H2O 1310 H2O H1 3 0.423800 1.0079 0 - 5946 H2O 1310 H2O H2 3 0.423800 1.0079 0 - 5947 H2O 1311 H2O O1 4 -0.847600 15.9994 0 - 5948 H2O 1311 H2O H1 3 0.423800 1.0079 0 - 5949 H2O 1311 H2O H2 3 0.423800 1.0079 0 - 5950 H2O 1312 H2O O1 4 -0.847600 15.9994 0 - 5951 H2O 1312 H2O H1 3 0.423800 1.0079 0 - 5952 H2O 1312 H2O H2 3 0.423800 1.0079 0 - 5953 H2O 1313 H2O O1 4 -0.847600 15.9994 0 - 5954 H2O 1313 H2O H1 3 0.423800 1.0079 0 - 5955 H2O 1313 H2O H2 3 0.423800 1.0079 0 - 5956 H2O 1314 H2O O1 4 -0.847600 15.9994 0 - 5957 H2O 1314 H2O H1 3 0.423800 1.0079 0 - 5958 H2O 1314 H2O H2 3 0.423800 1.0079 0 - 5959 H2O 1315 H2O O1 4 -0.847600 15.9994 0 - 5960 H2O 1315 H2O H1 3 0.423800 1.0079 0 - 5961 H2O 1315 H2O H2 3 0.423800 1.0079 0 - 5962 H2O 1316 H2O O1 4 -0.847600 15.9994 0 - 5963 H2O 1316 H2O H1 3 0.423800 1.0079 0 - 5964 H2O 1316 H2O H2 3 0.423800 1.0079 0 - 5965 H2O 1317 H2O O1 4 -0.847600 15.9994 0 - 5966 H2O 1317 H2O H1 3 0.423800 1.0079 0 - 5967 H2O 1317 H2O H2 3 0.423800 1.0079 0 - 5968 H2O 1318 H2O O1 4 -0.847600 15.9994 0 - 5969 H2O 1318 H2O H1 3 0.423800 1.0079 0 - 5970 H2O 1318 H2O H2 3 0.423800 1.0079 0 - 5971 H2O 1319 H2O O1 4 -0.847600 15.9994 0 - 5972 H2O 1319 H2O H1 3 0.423800 1.0079 0 - 5973 H2O 1319 H2O H2 3 0.423800 1.0079 0 - 5974 H2O 1320 H2O O1 4 -0.847600 15.9994 0 - 5975 H2O 1320 H2O H1 3 0.423800 1.0079 0 - 5976 H2O 1320 H2O H2 3 0.423800 1.0079 0 - 5977 H2O 1321 H2O O1 4 -0.847600 15.9994 0 - 5978 H2O 1321 H2O H1 3 0.423800 1.0079 0 - 5979 H2O 1321 H2O H2 3 0.423800 1.0079 0 - 5980 H2O 1322 H2O O1 4 -0.847600 15.9994 0 - 5981 H2O 1322 H2O H1 3 0.423800 1.0079 0 - 5982 H2O 1322 H2O H2 3 0.423800 1.0079 0 - 5983 H2O 1323 H2O O1 4 -0.847600 15.9994 0 - 5984 H2O 1323 H2O H1 3 0.423800 1.0079 0 - 5985 H2O 1323 H2O H2 3 0.423800 1.0079 0 - 5986 H2O 1324 H2O O1 4 -0.847600 15.9994 0 - 5987 H2O 1324 H2O H1 3 0.423800 1.0079 0 - 5988 H2O 1324 H2O H2 3 0.423800 1.0079 0 - 5989 H2O 1325 H2O O1 4 -0.847600 15.9994 0 - 5990 H2O 1325 H2O H1 3 0.423800 1.0079 0 - 5991 H2O 1325 H2O H2 3 0.423800 1.0079 0 - 5992 H2O 1326 H2O O1 4 -0.847600 15.9994 0 - 5993 H2O 1326 H2O H1 3 0.423800 1.0079 0 - 5994 H2O 1326 H2O H2 3 0.423800 1.0079 0 - 5995 H2O 1327 H2O O1 4 -0.847600 15.9994 0 - 5996 H2O 1327 H2O H1 3 0.423800 1.0079 0 - 5997 H2O 1327 H2O H2 3 0.423800 1.0079 0 - 5998 H2O 1328 H2O O1 4 -0.847600 15.9994 0 - 5999 H2O 1328 H2O H1 3 0.423800 1.0079 0 - 6000 H2O 1328 H2O H2 3 0.423800 1.0079 0 - 6001 H2O 1329 H2O O1 4 -0.847600 15.9994 0 - 6002 H2O 1329 H2O H1 3 0.423800 1.0079 0 - 6003 H2O 1329 H2O H2 3 0.423800 1.0079 0 - 6004 H2O 1330 H2O O1 4 -0.847600 15.9994 0 - 6005 H2O 1330 H2O H1 3 0.423800 1.0079 0 - 6006 H2O 1330 H2O H2 3 0.423800 1.0079 0 - 6007 H2O 1331 H2O O1 4 -0.847600 15.9994 0 - 6008 H2O 1331 H2O H1 3 0.423800 1.0079 0 - 6009 H2O 1331 H2O H2 3 0.423800 1.0079 0 - 6010 H2O 1332 H2O O1 4 -0.847600 15.9994 0 - 6011 H2O 1332 H2O H1 3 0.423800 1.0079 0 - 6012 H2O 1332 H2O H2 3 0.423800 1.0079 0 - 6013 H2O 1333 H2O O1 4 -0.847600 15.9994 0 - 6014 H2O 1333 H2O H1 3 0.423800 1.0079 0 - 6015 H2O 1333 H2O H2 3 0.423800 1.0079 0 - 6016 H2O 1334 H2O O1 4 -0.847600 15.9994 0 - 6017 H2O 1334 H2O H1 3 0.423800 1.0079 0 - 6018 H2O 1334 H2O H2 3 0.423800 1.0079 0 - 6019 H2O 1335 H2O O1 4 -0.847600 15.9994 0 - 6020 H2O 1335 H2O H1 3 0.423800 1.0079 0 - 6021 H2O 1335 H2O H2 3 0.423800 1.0079 0 - 6022 H2O 1336 H2O O1 4 -0.847600 15.9994 0 - 6023 H2O 1336 H2O H1 3 0.423800 1.0079 0 - 6024 H2O 1336 H2O H2 3 0.423800 1.0079 0 - 6025 H2O 1337 H2O O1 4 -0.847600 15.9994 0 - 6026 H2O 1337 H2O H1 3 0.423800 1.0079 0 - 6027 H2O 1337 H2O H2 3 0.423800 1.0079 0 - 6028 H2O 1338 H2O O1 4 -0.847600 15.9994 0 - 6029 H2O 1338 H2O H1 3 0.423800 1.0079 0 - 6030 H2O 1338 H2O H2 3 0.423800 1.0079 0 - 6031 H2O 1339 H2O O1 4 -0.847600 15.9994 0 - 6032 H2O 1339 H2O H1 3 0.423800 1.0079 0 - 6033 H2O 1339 H2O H2 3 0.423800 1.0079 0 - 6034 H2O 1340 H2O O1 4 -0.847600 15.9994 0 - 6035 H2O 1340 H2O H1 3 0.423800 1.0079 0 - 6036 H2O 1340 H2O H2 3 0.423800 1.0079 0 - 6037 H2O 1341 H2O O1 4 -0.847600 15.9994 0 - 6038 H2O 1341 H2O H1 3 0.423800 1.0079 0 - 6039 H2O 1341 H2O H2 3 0.423800 1.0079 0 - 6040 H2O 1342 H2O O1 4 -0.847600 15.9994 0 - 6041 H2O 1342 H2O H1 3 0.423800 1.0079 0 - 6042 H2O 1342 H2O H2 3 0.423800 1.0079 0 - 6043 H2O 1343 H2O O1 4 -0.847600 15.9994 0 - 6044 H2O 1343 H2O H1 3 0.423800 1.0079 0 - 6045 H2O 1343 H2O H2 3 0.423800 1.0079 0 - 6046 H2O 1344 H2O O1 4 -0.847600 15.9994 0 - 6047 H2O 1344 H2O H1 3 0.423800 1.0079 0 - 6048 H2O 1344 H2O H2 3 0.423800 1.0079 0 - 6049 H2O 1345 H2O O1 4 -0.847600 15.9994 0 - 6050 H2O 1345 H2O H1 3 0.423800 1.0079 0 - 6051 H2O 1345 H2O H2 3 0.423800 1.0079 0 - 6052 H2O 1346 H2O O1 4 -0.847600 15.9994 0 - 6053 H2O 1346 H2O H1 3 0.423800 1.0079 0 - 6054 H2O 1346 H2O H2 3 0.423800 1.0079 0 - 6055 H2O 1347 H2O O1 4 -0.847600 15.9994 0 - 6056 H2O 1347 H2O H1 3 0.423800 1.0079 0 - 6057 H2O 1347 H2O H2 3 0.423800 1.0079 0 - 6058 H2O 1348 H2O O1 4 -0.847600 15.9994 0 - 6059 H2O 1348 H2O H1 3 0.423800 1.0079 0 - 6060 H2O 1348 H2O H2 3 0.423800 1.0079 0 - 6061 H2O 1349 H2O O1 4 -0.847600 15.9994 0 - 6062 H2O 1349 H2O H1 3 0.423800 1.0079 0 - 6063 H2O 1349 H2O H2 3 0.423800 1.0079 0 - 6064 H2O 1350 H2O O1 4 -0.847600 15.9994 0 - 6065 H2O 1350 H2O H1 3 0.423800 1.0079 0 - 6066 H2O 1350 H2O H2 3 0.423800 1.0079 0 - 6067 H2O 1351 H2O O1 4 -0.847600 15.9994 0 - 6068 H2O 1351 H2O H1 3 0.423800 1.0079 0 - 6069 H2O 1351 H2O H2 3 0.423800 1.0079 0 - 6070 H2O 1352 H2O O1 4 -0.847600 15.9994 0 - 6071 H2O 1352 H2O H1 3 0.423800 1.0079 0 - 6072 H2O 1352 H2O H2 3 0.423800 1.0079 0 - 6073 H2O 1353 H2O O1 4 -0.847600 15.9994 0 - 6074 H2O 1353 H2O H1 3 0.423800 1.0079 0 - 6075 H2O 1353 H2O H2 3 0.423800 1.0079 0 - 6076 H2O 1354 H2O O1 4 -0.847600 15.9994 0 - 6077 H2O 1354 H2O H1 3 0.423800 1.0079 0 - 6078 H2O 1354 H2O H2 3 0.423800 1.0079 0 - 6079 H2O 1355 H2O O1 4 -0.847600 15.9994 0 - 6080 H2O 1355 H2O H1 3 0.423800 1.0079 0 - 6081 H2O 1355 H2O H2 3 0.423800 1.0079 0 - 6082 H2O 1356 H2O O1 4 -0.847600 15.9994 0 - 6083 H2O 1356 H2O H1 3 0.423800 1.0079 0 - 6084 H2O 1356 H2O H2 3 0.423800 1.0079 0 - 6085 H2O 1357 H2O O1 4 -0.847600 15.9994 0 - 6086 H2O 1357 H2O H1 3 0.423800 1.0079 0 - 6087 H2O 1357 H2O H2 3 0.423800 1.0079 0 - 6088 H2O 1358 H2O O1 4 -0.847600 15.9994 0 - 6089 H2O 1358 H2O H1 3 0.423800 1.0079 0 - 6090 H2O 1358 H2O H2 3 0.423800 1.0079 0 - 6091 H2O 1359 H2O O1 4 -0.847600 15.9994 0 - 6092 H2O 1359 H2O H1 3 0.423800 1.0079 0 - 6093 H2O 1359 H2O H2 3 0.423800 1.0079 0 - 6094 H2O 1360 H2O O1 4 -0.847600 15.9994 0 - 6095 H2O 1360 H2O H1 3 0.423800 1.0079 0 - 6096 H2O 1360 H2O H2 3 0.423800 1.0079 0 - 6097 H2O 1361 H2O O1 4 -0.847600 15.9994 0 - 6098 H2O 1361 H2O H1 3 0.423800 1.0079 0 - 6099 H2O 1361 H2O H2 3 0.423800 1.0079 0 - 6100 H2O 1362 H2O O1 4 -0.847600 15.9994 0 - 6101 H2O 1362 H2O H1 3 0.423800 1.0079 0 - 6102 H2O 1362 H2O H2 3 0.423800 1.0079 0 - 6103 H2O 1363 H2O O1 4 -0.847600 15.9994 0 - 6104 H2O 1363 H2O H1 3 0.423800 1.0079 0 - 6105 H2O 1363 H2O H2 3 0.423800 1.0079 0 - 6106 H2O 1364 H2O O1 4 -0.847600 15.9994 0 - 6107 H2O 1364 H2O H1 3 0.423800 1.0079 0 - 6108 H2O 1364 H2O H2 3 0.423800 1.0079 0 - 6109 H2O 1365 H2O O1 4 -0.847600 15.9994 0 - 6110 H2O 1365 H2O H1 3 0.423800 1.0079 0 - 6111 H2O 1365 H2O H2 3 0.423800 1.0079 0 - 6112 H2O 1366 H2O O1 4 -0.847600 15.9994 0 - 6113 H2O 1366 H2O H1 3 0.423800 1.0079 0 - 6114 H2O 1366 H2O H2 3 0.423800 1.0079 0 - 6115 H2O 1367 H2O O1 4 -0.847600 15.9994 0 - 6116 H2O 1367 H2O H1 3 0.423800 1.0079 0 - 6117 H2O 1367 H2O H2 3 0.423800 1.0079 0 - 6118 H2O 1368 H2O O1 4 -0.847600 15.9994 0 - 6119 H2O 1368 H2O H1 3 0.423800 1.0079 0 - 6120 H2O 1368 H2O H2 3 0.423800 1.0079 0 - 6121 H2O 1369 H2O O1 4 -0.847600 15.9994 0 - 6122 H2O 1369 H2O H1 3 0.423800 1.0079 0 - 6123 H2O 1369 H2O H2 3 0.423800 1.0079 0 - 6124 H2O 1370 H2O O1 4 -0.847600 15.9994 0 - 6125 H2O 1370 H2O H1 3 0.423800 1.0079 0 - 6126 H2O 1370 H2O H2 3 0.423800 1.0079 0 - 6127 H2O 1371 H2O O1 4 -0.847600 15.9994 0 - 6128 H2O 1371 H2O H1 3 0.423800 1.0079 0 - 6129 H2O 1371 H2O H2 3 0.423800 1.0079 0 - 6130 H2O 1372 H2O O1 4 -0.847600 15.9994 0 - 6131 H2O 1372 H2O H1 3 0.423800 1.0079 0 - 6132 H2O 1372 H2O H2 3 0.423800 1.0079 0 - 6133 H2O 1373 H2O O1 4 -0.847600 15.9994 0 - 6134 H2O 1373 H2O H1 3 0.423800 1.0079 0 - 6135 H2O 1373 H2O H2 3 0.423800 1.0079 0 - 6136 H2O 1374 H2O O1 4 -0.847600 15.9994 0 - 6137 H2O 1374 H2O H1 3 0.423800 1.0079 0 - 6138 H2O 1374 H2O H2 3 0.423800 1.0079 0 - 6139 H2O 1375 H2O O1 4 -0.847600 15.9994 0 - 6140 H2O 1375 H2O H1 3 0.423800 1.0079 0 - 6141 H2O 1375 H2O H2 3 0.423800 1.0079 0 - 6142 H2O 1376 H2O O1 4 -0.847600 15.9994 0 - 6143 H2O 1376 H2O H1 3 0.423800 1.0079 0 - 6144 H2O 1376 H2O H2 3 0.423800 1.0079 0 - 6145 H2O 1377 H2O O1 4 -0.847600 15.9994 0 - 6146 H2O 1377 H2O H1 3 0.423800 1.0079 0 - 6147 H2O 1377 H2O H2 3 0.423800 1.0079 0 - 6148 H2O 1378 H2O O1 4 -0.847600 15.9994 0 - 6149 H2O 1378 H2O H1 3 0.423800 1.0079 0 - 6150 H2O 1378 H2O H2 3 0.423800 1.0079 0 - 6151 H2O 1379 H2O O1 4 -0.847600 15.9994 0 - 6152 H2O 1379 H2O H1 3 0.423800 1.0079 0 - 6153 H2O 1379 H2O H2 3 0.423800 1.0079 0 - 6154 H2O 1380 H2O O1 4 -0.847600 15.9994 0 - 6155 H2O 1380 H2O H1 3 0.423800 1.0079 0 - 6156 H2O 1380 H2O H2 3 0.423800 1.0079 0 - 6157 H2O 1381 H2O O1 4 -0.847600 15.9994 0 - 6158 H2O 1381 H2O H1 3 0.423800 1.0079 0 - 6159 H2O 1381 H2O H2 3 0.423800 1.0079 0 - 6160 H2O 1382 H2O O1 4 -0.847600 15.9994 0 - 6161 H2O 1382 H2O H1 3 0.423800 1.0079 0 - 6162 H2O 1382 H2O H2 3 0.423800 1.0079 0 - 6163 H2O 1383 H2O O1 4 -0.847600 15.9994 0 - 6164 H2O 1383 H2O H1 3 0.423800 1.0079 0 - 6165 H2O 1383 H2O H2 3 0.423800 1.0079 0 - 6166 H2O 1384 H2O O1 4 -0.847600 15.9994 0 - 6167 H2O 1384 H2O H1 3 0.423800 1.0079 0 - 6168 H2O 1384 H2O H2 3 0.423800 1.0079 0 - 6169 H2O 1385 H2O O1 4 -0.847600 15.9994 0 - 6170 H2O 1385 H2O H1 3 0.423800 1.0079 0 - 6171 H2O 1385 H2O H2 3 0.423800 1.0079 0 - 6172 H2O 1386 H2O O1 4 -0.847600 15.9994 0 - 6173 H2O 1386 H2O H1 3 0.423800 1.0079 0 - 6174 H2O 1386 H2O H2 3 0.423800 1.0079 0 - 6175 H2O 1387 H2O O1 4 -0.847600 15.9994 0 - 6176 H2O 1387 H2O H1 3 0.423800 1.0079 0 - 6177 H2O 1387 H2O H2 3 0.423800 1.0079 0 - 6178 H2O 1388 H2O O1 4 -0.847600 15.9994 0 - 6179 H2O 1388 H2O H1 3 0.423800 1.0079 0 - 6180 H2O 1388 H2O H2 3 0.423800 1.0079 0 - 6181 H2O 1389 H2O O1 4 -0.847600 15.9994 0 - 6182 H2O 1389 H2O H1 3 0.423800 1.0079 0 - 6183 H2O 1389 H2O H2 3 0.423800 1.0079 0 - 6184 H2O 1390 H2O O1 4 -0.847600 15.9994 0 - 6185 H2O 1390 H2O H1 3 0.423800 1.0079 0 - 6186 H2O 1390 H2O H2 3 0.423800 1.0079 0 - 6187 H2O 1391 H2O O1 4 -0.847600 15.9994 0 - 6188 H2O 1391 H2O H1 3 0.423800 1.0079 0 - 6189 H2O 1391 H2O H2 3 0.423800 1.0079 0 - 6190 H2O 1392 H2O O1 4 -0.847600 15.9994 0 - 6191 H2O 1392 H2O H1 3 0.423800 1.0079 0 - 6192 H2O 1392 H2O H2 3 0.423800 1.0079 0 - 6193 H2O 1393 H2O O1 4 -0.847600 15.9994 0 - 6194 H2O 1393 H2O H1 3 0.423800 1.0079 0 - 6195 H2O 1393 H2O H2 3 0.423800 1.0079 0 - 6196 H2O 1394 H2O O1 4 -0.847600 15.9994 0 - 6197 H2O 1394 H2O H1 3 0.423800 1.0079 0 - 6198 H2O 1394 H2O H2 3 0.423800 1.0079 0 - 6199 H2O 1395 H2O O1 4 -0.847600 15.9994 0 - 6200 H2O 1395 H2O H1 3 0.423800 1.0079 0 - 6201 H2O 1395 H2O H2 3 0.423800 1.0079 0 - 6202 H2O 1396 H2O O1 4 -0.847600 15.9994 0 - 6203 H2O 1396 H2O H1 3 0.423800 1.0079 0 - 6204 H2O 1396 H2O H2 3 0.423800 1.0079 0 - 6205 H2O 1397 H2O O1 4 -0.847600 15.9994 0 - 6206 H2O 1397 H2O H1 3 0.423800 1.0079 0 - 6207 H2O 1397 H2O H2 3 0.423800 1.0079 0 - 6208 H2O 1398 H2O O1 4 -0.847600 15.9994 0 - 6209 H2O 1398 H2O H1 3 0.423800 1.0079 0 - 6210 H2O 1398 H2O H2 3 0.423800 1.0079 0 - 6211 H2O 1399 H2O O1 4 -0.847600 15.9994 0 - 6212 H2O 1399 H2O H1 3 0.423800 1.0079 0 - 6213 H2O 1399 H2O H2 3 0.423800 1.0079 0 - 6214 H2O 1400 H2O O1 4 -0.847600 15.9994 0 - 6215 H2O 1400 H2O H1 3 0.423800 1.0079 0 - 6216 H2O 1400 H2O H2 3 0.423800 1.0079 0 - 6217 H2O 1401 H2O O1 4 -0.847600 15.9994 0 - 6218 H2O 1401 H2O H1 3 0.423800 1.0079 0 - 6219 H2O 1401 H2O H2 3 0.423800 1.0079 0 - 6220 H2O 1402 H2O O1 4 -0.847600 15.9994 0 - 6221 H2O 1402 H2O H1 3 0.423800 1.0079 0 - 6222 H2O 1402 H2O H2 3 0.423800 1.0079 0 - 6223 H2O 1403 H2O O1 4 -0.847600 15.9994 0 - 6224 H2O 1403 H2O H1 3 0.423800 1.0079 0 - 6225 H2O 1403 H2O H2 3 0.423800 1.0079 0 - 6226 H2O 1404 H2O O1 4 -0.847600 15.9994 0 - 6227 H2O 1404 H2O H1 3 0.423800 1.0079 0 - 6228 H2O 1404 H2O H2 3 0.423800 1.0079 0 - 6229 H2O 1405 H2O O1 4 -0.847600 15.9994 0 - 6230 H2O 1405 H2O H1 3 0.423800 1.0079 0 - 6231 H2O 1405 H2O H2 3 0.423800 1.0079 0 - 6232 H2O 1406 H2O O1 4 -0.847600 15.9994 0 - 6233 H2O 1406 H2O H1 3 0.423800 1.0079 0 - 6234 H2O 1406 H2O H2 3 0.423800 1.0079 0 - 6235 H2O 1407 H2O O1 4 -0.847600 15.9994 0 - 6236 H2O 1407 H2O H1 3 0.423800 1.0079 0 - 6237 H2O 1407 H2O H2 3 0.423800 1.0079 0 - 6238 H2O 1408 H2O O1 4 -0.847600 15.9994 0 - 6239 H2O 1408 H2O H1 3 0.423800 1.0079 0 - 6240 H2O 1408 H2O H2 3 0.423800 1.0079 0 - 6241 H2O 1409 H2O O1 4 -0.847600 15.9994 0 - 6242 H2O 1409 H2O H1 3 0.423800 1.0079 0 - 6243 H2O 1409 H2O H2 3 0.423800 1.0079 0 - 6244 H2O 1410 H2O O1 4 -0.847600 15.9994 0 - 6245 H2O 1410 H2O H1 3 0.423800 1.0079 0 - 6246 H2O 1410 H2O H2 3 0.423800 1.0079 0 - 6247 H2O 1411 H2O O1 4 -0.847600 15.9994 0 - 6248 H2O 1411 H2O H1 3 0.423800 1.0079 0 - 6249 H2O 1411 H2O H2 3 0.423800 1.0079 0 - 6250 H2O 1412 H2O O1 4 -0.847600 15.9994 0 - 6251 H2O 1412 H2O H1 3 0.423800 1.0079 0 - 6252 H2O 1412 H2O H2 3 0.423800 1.0079 0 - 6253 H2O 1413 H2O O1 4 -0.847600 15.9994 0 - 6254 H2O 1413 H2O H1 3 0.423800 1.0079 0 - 6255 H2O 1413 H2O H2 3 0.423800 1.0079 0 - 6256 H2O 1414 H2O O1 4 -0.847600 15.9994 0 - 6257 H2O 1414 H2O H1 3 0.423800 1.0079 0 - 6258 H2O 1414 H2O H2 3 0.423800 1.0079 0 - 6259 H2O 1415 H2O O1 4 -0.847600 15.9994 0 - 6260 H2O 1415 H2O H1 3 0.423800 1.0079 0 - 6261 H2O 1415 H2O H2 3 0.423800 1.0079 0 - 6262 H2O 1416 H2O O1 4 -0.847600 15.9994 0 - 6263 H2O 1416 H2O H1 3 0.423800 1.0079 0 - 6264 H2O 1416 H2O H2 3 0.423800 1.0079 0 - 6265 H2O 1417 H2O O1 4 -0.847600 15.9994 0 - 6266 H2O 1417 H2O H1 3 0.423800 1.0079 0 - 6267 H2O 1417 H2O H2 3 0.423800 1.0079 0 - 6268 H2O 1418 H2O O1 4 -0.847600 15.9994 0 - 6269 H2O 1418 H2O H1 3 0.423800 1.0079 0 - 6270 H2O 1418 H2O H2 3 0.423800 1.0079 0 - 6271 H2O 1419 H2O O1 4 -0.847600 15.9994 0 - 6272 H2O 1419 H2O H1 3 0.423800 1.0079 0 - 6273 H2O 1419 H2O H2 3 0.423800 1.0079 0 - 6274 H2O 1420 H2O O1 4 -0.847600 15.9994 0 - 6275 H2O 1420 H2O H1 3 0.423800 1.0079 0 - 6276 H2O 1420 H2O H2 3 0.423800 1.0079 0 - 6277 H2O 1421 H2O O1 4 -0.847600 15.9994 0 - 6278 H2O 1421 H2O H1 3 0.423800 1.0079 0 - 6279 H2O 1421 H2O H2 3 0.423800 1.0079 0 - 6280 H2O 1422 H2O O1 4 -0.847600 15.9994 0 - 6281 H2O 1422 H2O H1 3 0.423800 1.0079 0 - 6282 H2O 1422 H2O H2 3 0.423800 1.0079 0 - 6283 H2O 1423 H2O O1 4 -0.847600 15.9994 0 - 6284 H2O 1423 H2O H1 3 0.423800 1.0079 0 - 6285 H2O 1423 H2O H2 3 0.423800 1.0079 0 - 6286 H2O 1424 H2O O1 4 -0.847600 15.9994 0 - 6287 H2O 1424 H2O H1 3 0.423800 1.0079 0 - 6288 H2O 1424 H2O H2 3 0.423800 1.0079 0 - 6289 H2O 1425 H2O O1 4 -0.847600 15.9994 0 - 6290 H2O 1425 H2O H1 3 0.423800 1.0079 0 - 6291 H2O 1425 H2O H2 3 0.423800 1.0079 0 - 6292 H2O 1426 H2O O1 4 -0.847600 15.9994 0 - 6293 H2O 1426 H2O H1 3 0.423800 1.0079 0 - 6294 H2O 1426 H2O H2 3 0.423800 1.0079 0 - 6295 H2O 1427 H2O O1 4 -0.847600 15.9994 0 - 6296 H2O 1427 H2O H1 3 0.423800 1.0079 0 - 6297 H2O 1427 H2O H2 3 0.423800 1.0079 0 - 6298 H2O 1428 H2O O1 4 -0.847600 15.9994 0 - 6299 H2O 1428 H2O H1 3 0.423800 1.0079 0 - 6300 H2O 1428 H2O H2 3 0.423800 1.0079 0 - 6301 H2O 1429 H2O O1 4 -0.847600 15.9994 0 - 6302 H2O 1429 H2O H1 3 0.423800 1.0079 0 - 6303 H2O 1429 H2O H2 3 0.423800 1.0079 0 - 6304 H2O 1430 H2O O1 4 -0.847600 15.9994 0 - 6305 H2O 1430 H2O H1 3 0.423800 1.0079 0 - 6306 H2O 1430 H2O H2 3 0.423800 1.0079 0 - 6307 H2O 1431 H2O O1 4 -0.847600 15.9994 0 - 6308 H2O 1431 H2O H1 3 0.423800 1.0079 0 - 6309 H2O 1431 H2O H2 3 0.423800 1.0079 0 - 6310 H2O 1432 H2O O1 4 -0.847600 15.9994 0 - 6311 H2O 1432 H2O H1 3 0.423800 1.0079 0 - 6312 H2O 1432 H2O H2 3 0.423800 1.0079 0 - 6313 H2O 1433 H2O O1 4 -0.847600 15.9994 0 - 6314 H2O 1433 H2O H1 3 0.423800 1.0079 0 - 6315 H2O 1433 H2O H2 3 0.423800 1.0079 0 - 6316 H2O 1434 H2O O1 4 -0.847600 15.9994 0 - 6317 H2O 1434 H2O H1 3 0.423800 1.0079 0 - 6318 H2O 1434 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1442 H2O H1 3 0.423800 1.0079 0 - 6342 H2O 1442 H2O H2 3 0.423800 1.0079 0 - 6343 H2O 1443 H2O O1 4 -0.847600 15.9994 0 - 6344 H2O 1443 H2O H1 3 0.423800 1.0079 0 - 6345 H2O 1443 H2O H2 3 0.423800 1.0079 0 - 6346 H2O 1444 H2O O1 4 -0.847600 15.9994 0 - 6347 H2O 1444 H2O H1 3 0.423800 1.0079 0 - 6348 H2O 1444 H2O H2 3 0.423800 1.0079 0 - 6349 H2O 1445 H2O O1 4 -0.847600 15.9994 0 - 6350 H2O 1445 H2O H1 3 0.423800 1.0079 0 - 6351 H2O 1445 H2O H2 3 0.423800 1.0079 0 - 6352 H2O 1446 H2O O1 4 -0.847600 15.9994 0 - 6353 H2O 1446 H2O H1 3 0.423800 1.0079 0 - 6354 H2O 1446 H2O H2 3 0.423800 1.0079 0 - 6355 H2O 1447 H2O O1 4 -0.847600 15.9994 0 - 6356 H2O 1447 H2O H1 3 0.423800 1.0079 0 - 6357 H2O 1447 H2O H2 3 0.423800 1.0079 0 - 6358 H2O 1448 H2O O1 4 -0.847600 15.9994 0 - 6359 H2O 1448 H2O H1 3 0.423800 1.0079 0 - 6360 H2O 1448 H2O H2 3 0.423800 1.0079 0 - 6361 H2O 1449 H2O O1 4 -0.847600 15.9994 0 - 6362 H2O 1449 H2O H1 3 0.423800 1.0079 0 - 6363 H2O 1449 H2O H2 3 0.423800 1.0079 0 - 6364 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6387 H2O 1457 H2O H2 3 0.423800 1.0079 0 - 6388 H2O 1458 H2O O1 4 -0.847600 15.9994 0 - 6389 H2O 1458 H2O H1 3 0.423800 1.0079 0 - 6390 H2O 1458 H2O H2 3 0.423800 1.0079 0 - 6391 H2O 1459 H2O O1 4 -0.847600 15.9994 0 - 6392 H2O 1459 H2O H1 3 0.423800 1.0079 0 - 6393 H2O 1459 H2O H2 3 0.423800 1.0079 0 - 6394 H2O 1460 H2O O1 4 -0.847600 15.9994 0 - 6395 H2O 1460 H2O H1 3 0.423800 1.0079 0 - 6396 H2O 1460 H2O H2 3 0.423800 1.0079 0 - 6397 H2O 1461 H2O O1 4 -0.847600 15.9994 0 - 6398 H2O 1461 H2O H1 3 0.423800 1.0079 0 - 6399 H2O 1461 H2O H2 3 0.423800 1.0079 0 - 6400 H2O 1462 H2O O1 4 -0.847600 15.9994 0 - 6401 H2O 1462 H2O H1 3 0.423800 1.0079 0 - 6402 H2O 1462 H2O H2 3 0.423800 1.0079 0 - 6403 H2O 1463 H2O O1 4 -0.847600 15.9994 0 - 6404 H2O 1463 H2O H1 3 0.423800 1.0079 0 - 6405 H2O 1463 H2O H2 3 0.423800 1.0079 0 - 6406 H2O 1464 H2O O1 4 -0.847600 15.9994 0 - 6407 H2O 1464 H2O H1 3 0.423800 1.0079 0 - 6408 H2O 1464 H2O H2 3 0.423800 1.0079 0 - 6409 H2O 1465 H2O O1 4 -0.847600 15.9994 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4 -0.847600 15.9994 0 - 6479 H2O 1488 H2O H1 3 0.423800 1.0079 0 - 6480 H2O 1488 H2O H2 3 0.423800 1.0079 0 - 6481 H2O 1489 H2O O1 4 -0.847600 15.9994 0 - 6482 H2O 1489 H2O H1 3 0.423800 1.0079 0 - 6483 H2O 1489 H2O H2 3 0.423800 1.0079 0 - 6484 H2O 1490 H2O O1 4 -0.847600 15.9994 0 - 6485 H2O 1490 H2O H1 3 0.423800 1.0079 0 - 6486 H2O 1490 H2O H2 3 0.423800 1.0079 0 - 6487 H2O 1491 H2O O1 4 -0.847600 15.9994 0 - 6488 H2O 1491 H2O H1 3 0.423800 1.0079 0 - 6489 H2O 1491 H2O H2 3 0.423800 1.0079 0 - 6490 H2O 1492 H2O O1 4 -0.847600 15.9994 0 - 6491 H2O 1492 H2O H1 3 0.423800 1.0079 0 - 6492 H2O 1492 H2O H2 3 0.423800 1.0079 0 - 6493 H2O 1493 H2O O1 4 -0.847600 15.9994 0 - 6494 H2O 1493 H2O H1 3 0.423800 1.0079 0 - 6495 H2O 1493 H2O H2 3 0.423800 1.0079 0 - 6496 H2O 1494 H2O O1 4 -0.847600 15.9994 0 - 6497 H2O 1494 H2O H1 3 0.423800 1.0079 0 - 6498 H2O 1494 H2O H2 3 0.423800 1.0079 0 - 6499 H2O 1495 H2O O1 4 -0.847600 15.9994 0 - 6500 H2O 1495 H2O H1 3 0.423800 1.0079 0 - 6501 H2O 1495 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1503 H2O H1 3 0.423800 1.0079 0 - 6525 H2O 1503 H2O H2 3 0.423800 1.0079 0 - 6526 H2O 1504 H2O O1 4 -0.847600 15.9994 0 - 6527 H2O 1504 H2O H1 3 0.423800 1.0079 0 - 6528 H2O 1504 H2O H2 3 0.423800 1.0079 0 - 6529 H2O 1505 H2O O1 4 -0.847600 15.9994 0 - 6530 H2O 1505 H2O H1 3 0.423800 1.0079 0 - 6531 H2O 1505 H2O H2 3 0.423800 1.0079 0 - 6532 H2O 1506 H2O O1 4 -0.847600 15.9994 0 - 6533 H2O 1506 H2O H1 3 0.423800 1.0079 0 - 6534 H2O 1506 H2O H2 3 0.423800 1.0079 0 - 6535 H2O 1507 H2O O1 4 -0.847600 15.9994 0 - 6536 H2O 1507 H2O H1 3 0.423800 1.0079 0 - 6537 H2O 1507 H2O H2 3 0.423800 1.0079 0 - 6538 H2O 1508 H2O O1 4 -0.847600 15.9994 0 - 6539 H2O 1508 H2O H1 3 0.423800 1.0079 0 - 6540 H2O 1508 H2O H2 3 0.423800 1.0079 0 - 6541 H2O 1509 H2O O1 4 -0.847600 15.9994 0 - 6542 H2O 1509 H2O H1 3 0.423800 1.0079 0 - 6543 H2O 1509 H2O H2 3 0.423800 1.0079 0 - 6544 H2O 1510 H2O O1 4 -0.847600 15.9994 0 - 6545 H2O 1510 H2O H1 3 0.423800 1.0079 0 - 6546 H2O 1510 H2O H2 3 0.423800 1.0079 0 - 6547 H2O 1511 H2O O1 4 -0.847600 15.9994 0 - 6548 H2O 1511 H2O H1 3 0.423800 1.0079 0 - 6549 H2O 1511 H2O H2 3 0.423800 1.0079 0 - 6550 H2O 1512 H2O O1 4 -0.847600 15.9994 0 - 6551 H2O 1512 H2O H1 3 0.423800 1.0079 0 - 6552 H2O 1512 H2O H2 3 0.423800 1.0079 0 - 6553 H2O 1513 H2O O1 4 -0.847600 15.9994 0 - 6554 H2O 1513 H2O H1 3 0.423800 1.0079 0 - 6555 H2O 1513 H2O H2 3 0.423800 1.0079 0 - 6556 H2O 1514 H2O O1 4 -0.847600 15.9994 0 - 6557 H2O 1514 H2O H1 3 0.423800 1.0079 0 - 6558 H2O 1514 H2O H2 3 0.423800 1.0079 0 - 6559 H2O 1515 H2O O1 4 -0.847600 15.9994 0 - 6560 H2O 1515 H2O H1 3 0.423800 1.0079 0 - 6561 H2O 1515 H2O H2 3 0.423800 1.0079 0 - 6562 H2O 1516 H2O O1 4 -0.847600 15.9994 0 - 6563 H2O 1516 H2O H1 3 0.423800 1.0079 0 - 6564 H2O 1516 H2O H2 3 0.423800 1.0079 0 - 6565 H2O 1517 H2O O1 4 -0.847600 15.9994 0 - 6566 H2O 1517 H2O H1 3 0.423800 1.0079 0 - 6567 H2O 1517 H2O H2 3 0.423800 1.0079 0 - 6568 H2O 1518 H2O O1 4 -0.847600 15.9994 0 - 6569 H2O 1518 H2O H1 3 0.423800 1.0079 0 - 6570 H2O 1518 H2O H2 3 0.423800 1.0079 0 - 6571 H2O 1519 H2O O1 4 -0.847600 15.9994 0 - 6572 H2O 1519 H2O H1 3 0.423800 1.0079 0 - 6573 H2O 1519 H2O H2 3 0.423800 1.0079 0 - 6574 H2O 1520 H2O O1 4 -0.847600 15.9994 0 - 6575 H2O 1520 H2O H1 3 0.423800 1.0079 0 - 6576 H2O 1520 H2O H2 3 0.423800 1.0079 0 - 6577 H2O 1521 H2O O1 4 -0.847600 15.9994 0 - 6578 H2O 1521 H2O H1 3 0.423800 1.0079 0 - 6579 H2O 1521 H2O H2 3 0.423800 1.0079 0 - 6580 H2O 1522 H2O O1 4 -0.847600 15.9994 0 - 6581 H2O 1522 H2O H1 3 0.423800 1.0079 0 - 6582 H2O 1522 H2O H2 3 0.423800 1.0079 0 - 6583 H2O 1523 H2O O1 4 -0.847600 15.9994 0 - 6584 H2O 1523 H2O H1 3 0.423800 1.0079 0 - 6585 H2O 1523 H2O H2 3 0.423800 1.0079 0 - 6586 H2O 1524 H2O O1 4 -0.847600 15.9994 0 - 6587 H2O 1524 H2O H1 3 0.423800 1.0079 0 - 6588 H2O 1524 H2O H2 3 0.423800 1.0079 0 - 6589 H2O 1525 H2O O1 4 -0.847600 15.9994 0 - 6590 H2O 1525 H2O H1 3 0.423800 1.0079 0 - 6591 H2O 1525 H2O H2 3 0.423800 1.0079 0 - 6592 H2O 1526 H2O O1 4 -0.847600 15.9994 0 - 6593 H2O 1526 H2O H1 3 0.423800 1.0079 0 - 6594 H2O 1526 H2O H2 3 0.423800 1.0079 0 - 6595 H2O 1527 H2O O1 4 -0.847600 15.9994 0 - 6596 H2O 1527 H2O H1 3 0.423800 1.0079 0 - 6597 H2O 1527 H2O H2 3 0.423800 1.0079 0 - 6598 H2O 1528 H2O O1 4 -0.847600 15.9994 0 - 6599 H2O 1528 H2O H1 3 0.423800 1.0079 0 - 6600 H2O 1528 H2O H2 3 0.423800 1.0079 0 - 6601 H2O 1529 H2O O1 4 -0.847600 15.9994 0 - 6602 H2O 1529 H2O H1 3 0.423800 1.0079 0 - 6603 H2O 1529 H2O H2 3 0.423800 1.0079 0 - 6604 H2O 1530 H2O O1 4 -0.847600 15.9994 0 - 6605 H2O 1530 H2O H1 3 0.423800 1.0079 0 - 6606 H2O 1530 H2O H2 3 0.423800 1.0079 0 - 6607 H2O 1531 H2O O1 4 -0.847600 15.9994 0 - 6608 H2O 1531 H2O H1 3 0.423800 1.0079 0 - 6609 H2O 1531 H2O H2 3 0.423800 1.0079 0 - 6610 H2O 1532 H2O O1 4 -0.847600 15.9994 0 - 6611 H2O 1532 H2O H1 3 0.423800 1.0079 0 - 6612 H2O 1532 H2O H2 3 0.423800 1.0079 0 - 6613 H2O 1533 H2O O1 4 -0.847600 15.9994 0 - 6614 H2O 1533 H2O H1 3 0.423800 1.0079 0 - 6615 H2O 1533 H2O H2 3 0.423800 1.0079 0 - 6616 H2O 1534 H2O O1 4 -0.847600 15.9994 0 - 6617 H2O 1534 H2O H1 3 0.423800 1.0079 0 - 6618 H2O 1534 H2O H2 3 0.423800 1.0079 0 - 6619 H2O 1535 H2O O1 4 -0.847600 15.9994 0 - 6620 H2O 1535 H2O H1 3 0.423800 1.0079 0 - 6621 H2O 1535 H2O H2 3 0.423800 1.0079 0 - 6622 H2O 1536 H2O O1 4 -0.847600 15.9994 0 - 6623 H2O 1536 H2O H1 3 0.423800 1.0079 0 - 6624 H2O 1536 H2O H2 3 0.423800 1.0079 0 - 6625 H2O 1537 H2O O1 4 -0.847600 15.9994 0 - 6626 H2O 1537 H2O H1 3 0.423800 1.0079 0 - 6627 H2O 1537 H2O H2 3 0.423800 1.0079 0 - 6628 H2O 1538 H2O O1 4 -0.847600 15.9994 0 - 6629 H2O 1538 H2O H1 3 0.423800 1.0079 0 - 6630 H2O 1538 H2O H2 3 0.423800 1.0079 0 - 6631 H2O 1539 H2O O1 4 -0.847600 15.9994 0 - 6632 H2O 1539 H2O H1 3 0.423800 1.0079 0 - 6633 H2O 1539 H2O H2 3 0.423800 1.0079 0 - 6634 H2O 1540 H2O O1 4 -0.847600 15.9994 0 - 6635 H2O 1540 H2O H1 3 0.423800 1.0079 0 - 6636 H2O 1540 H2O H2 3 0.423800 1.0079 0 - 6637 H2O 1541 H2O O1 4 -0.847600 15.9994 0 - 6638 H2O 1541 H2O H1 3 0.423800 1.0079 0 - 6639 H2O 1541 H2O H2 3 0.423800 1.0079 0 - 6640 H2O 1542 H2O O1 4 -0.847600 15.9994 0 - 6641 H2O 1542 H2O H1 3 0.423800 1.0079 0 - 6642 H2O 1542 H2O H2 3 0.423800 1.0079 0 - 6643 H2O 1543 H2O O1 4 -0.847600 15.9994 0 - 6644 H2O 1543 H2O H1 3 0.423800 1.0079 0 - 6645 H2O 1543 H2O H2 3 0.423800 1.0079 0 - 6646 H2O 1544 H2O O1 4 -0.847600 15.9994 0 - 6647 H2O 1544 H2O H1 3 0.423800 1.0079 0 - 6648 H2O 1544 H2O H2 3 0.423800 1.0079 0 - 6649 H2O 1545 H2O O1 4 -0.847600 15.9994 0 - 6650 H2O 1545 H2O H1 3 0.423800 1.0079 0 - 6651 H2O 1545 H2O H2 3 0.423800 1.0079 0 - 6652 H2O 1546 H2O O1 4 -0.847600 15.9994 0 - 6653 H2O 1546 H2O H1 3 0.423800 1.0079 0 - 6654 H2O 1546 H2O H2 3 0.423800 1.0079 0 - 6655 H2O 1547 H2O O1 4 -0.847600 15.9994 0 - 6656 H2O 1547 H2O H1 3 0.423800 1.0079 0 - 6657 H2O 1547 H2O H2 3 0.423800 1.0079 0 - 6658 H2O 1548 H2O O1 4 -0.847600 15.9994 0 - 6659 H2O 1548 H2O H1 3 0.423800 1.0079 0 - 6660 H2O 1548 H2O H2 3 0.423800 1.0079 0 - 6661 H2O 1549 H2O O1 4 -0.847600 15.9994 0 - 6662 H2O 1549 H2O H1 3 0.423800 1.0079 0 - 6663 H2O 1549 H2O H2 3 0.423800 1.0079 0 - 6664 H2O 1550 H2O O1 4 -0.847600 15.9994 0 - 6665 H2O 1550 H2O H1 3 0.423800 1.0079 0 - 6666 H2O 1550 H2O H2 3 0.423800 1.0079 0 - 6667 H2O 1551 H2O O1 4 -0.847600 15.9994 0 - 6668 H2O 1551 H2O H1 3 0.423800 1.0079 0 - 6669 H2O 1551 H2O H2 3 0.423800 1.0079 0 - 6670 H2O 1552 H2O O1 4 -0.847600 15.9994 0 - 6671 H2O 1552 H2O H1 3 0.423800 1.0079 0 - 6672 H2O 1552 H2O H2 3 0.423800 1.0079 0 - 6673 H2O 1553 H2O O1 4 -0.847600 15.9994 0 - 6674 H2O 1553 H2O H1 3 0.423800 1.0079 0 - 6675 H2O 1553 H2O H2 3 0.423800 1.0079 0 - 6676 H2O 1554 H2O O1 4 -0.847600 15.9994 0 - 6677 H2O 1554 H2O H1 3 0.423800 1.0079 0 - 6678 H2O 1554 H2O H2 3 0.423800 1.0079 0 - 6679 H2O 1555 H2O O1 4 -0.847600 15.9994 0 - 6680 H2O 1555 H2O H1 3 0.423800 1.0079 0 - 6681 H2O 1555 H2O H2 3 0.423800 1.0079 0 - 6682 H2O 1556 H2O O1 4 -0.847600 15.9994 0 - 6683 H2O 1556 H2O H1 3 0.423800 1.0079 0 - 6684 H2O 1556 H2O H2 3 0.423800 1.0079 0 - 6685 H2O 1557 H2O O1 4 -0.847600 15.9994 0 - 6686 H2O 1557 H2O H1 3 0.423800 1.0079 0 - 6687 H2O 1557 H2O H2 3 0.423800 1.0079 0 - 6688 H2O 1558 H2O O1 4 -0.847600 15.9994 0 - 6689 H2O 1558 H2O H1 3 0.423800 1.0079 0 - 6690 H2O 1558 H2O H2 3 0.423800 1.0079 0 - 6691 H2O 1559 H2O O1 4 -0.847600 15.9994 0 - 6692 H2O 1559 H2O H1 3 0.423800 1.0079 0 - 6693 H2O 1559 H2O H2 3 0.423800 1.0079 0 - 6694 H2O 1560 H2O O1 4 -0.847600 15.9994 0 - 6695 H2O 1560 H2O H1 3 0.423800 1.0079 0 - 6696 H2O 1560 H2O H2 3 0.423800 1.0079 0 - 6697 H2O 1561 H2O O1 4 -0.847600 15.9994 0 - 6698 H2O 1561 H2O H1 3 0.423800 1.0079 0 - 6699 H2O 1561 H2O H2 3 0.423800 1.0079 0 - 6700 H2O 1562 H2O O1 4 -0.847600 15.9994 0 - 6701 H2O 1562 H2O H1 3 0.423800 1.0079 0 - 6702 H2O 1562 H2O H2 3 0.423800 1.0079 0 - 6703 H2O 1563 H2O O1 4 -0.847600 15.9994 0 - 6704 H2O 1563 H2O H1 3 0.423800 1.0079 0 - 6705 H2O 1563 H2O H2 3 0.423800 1.0079 0 - 6706 H2O 1564 H2O O1 4 -0.847600 15.9994 0 - 6707 H2O 1564 H2O H1 3 0.423800 1.0079 0 - 6708 H2O 1564 H2O H2 3 0.423800 1.0079 0 - 6709 H2O 1565 H2O O1 4 -0.847600 15.9994 0 - 6710 H2O 1565 H2O H1 3 0.423800 1.0079 0 - 6711 H2O 1565 H2O H2 3 0.423800 1.0079 0 - 6712 H2O 1566 H2O O1 4 -0.847600 15.9994 0 - 6713 H2O 1566 H2O H1 3 0.423800 1.0079 0 - 6714 H2O 1566 H2O H2 3 0.423800 1.0079 0 - 6715 H2O 1567 H2O O1 4 -0.847600 15.9994 0 - 6716 H2O 1567 H2O H1 3 0.423800 1.0079 0 - 6717 H2O 1567 H2O H2 3 0.423800 1.0079 0 - 6718 H2O 1568 H2O O1 4 -0.847600 15.9994 0 - 6719 H2O 1568 H2O H1 3 0.423800 1.0079 0 - 6720 H2O 1568 H2O H2 3 0.423800 1.0079 0 - 6721 H2O 1569 H2O O1 4 -0.847600 15.9994 0 - 6722 H2O 1569 H2O H1 3 0.423800 1.0079 0 - 6723 H2O 1569 H2O H2 3 0.423800 1.0079 0 - 6724 H2O 1570 H2O O1 4 -0.847600 15.9994 0 - 6725 H2O 1570 H2O H1 3 0.423800 1.0079 0 - 6726 H2O 1570 H2O H2 3 0.423800 1.0079 0 - 6727 H2O 1571 H2O O1 4 -0.847600 15.9994 0 - 6728 H2O 1571 H2O H1 3 0.423800 1.0079 0 - 6729 H2O 1571 H2O H2 3 0.423800 1.0079 0 - 6730 H2O 1572 H2O O1 4 -0.847600 15.9994 0 - 6731 H2O 1572 H2O H1 3 0.423800 1.0079 0 - 6732 H2O 1572 H2O H2 3 0.423800 1.0079 0 - 6733 H2O 1573 H2O O1 4 -0.847600 15.9994 0 - 6734 H2O 1573 H2O H1 3 0.423800 1.0079 0 - 6735 H2O 1573 H2O H2 3 0.423800 1.0079 0 - 6736 H2O 1574 H2O O1 4 -0.847600 15.9994 0 - 6737 H2O 1574 H2O H1 3 0.423800 1.0079 0 - 6738 H2O 1574 H2O H2 3 0.423800 1.0079 0 - 6739 H2O 1575 H2O O1 4 -0.847600 15.9994 0 - 6740 H2O 1575 H2O H1 3 0.423800 1.0079 0 - 6741 H2O 1575 H2O H2 3 0.423800 1.0079 0 - 6742 H2O 1576 H2O O1 4 -0.847600 15.9994 0 - 6743 H2O 1576 H2O H1 3 0.423800 1.0079 0 - 6744 H2O 1576 H2O H2 3 0.423800 1.0079 0 - 6745 H2O 1577 H2O O1 4 -0.847600 15.9994 0 - 6746 H2O 1577 H2O H1 3 0.423800 1.0079 0 - 6747 H2O 1577 H2O H2 3 0.423800 1.0079 0 - 6748 H2O 1578 H2O O1 4 -0.847600 15.9994 0 - 6749 H2O 1578 H2O H1 3 0.423800 1.0079 0 - 6750 H2O 1578 H2O H2 3 0.423800 1.0079 0 - 6751 H2O 1579 H2O O1 4 -0.847600 15.9994 0 - 6752 H2O 1579 H2O H1 3 0.423800 1.0079 0 - 6753 H2O 1579 H2O H2 3 0.423800 1.0079 0 - 6754 H2O 1580 H2O O1 4 -0.847600 15.9994 0 - 6755 H2O 1580 H2O H1 3 0.423800 1.0079 0 - 6756 H2O 1580 H2O H2 3 0.423800 1.0079 0 - 6757 H2O 1581 H2O O1 4 -0.847600 15.9994 0 - 6758 H2O 1581 H2O H1 3 0.423800 1.0079 0 - 6759 H2O 1581 H2O H2 3 0.423800 1.0079 0 - 6760 H2O 1582 H2O O1 4 -0.847600 15.9994 0 - 6761 H2O 1582 H2O H1 3 0.423800 1.0079 0 - 6762 H2O 1582 H2O H2 3 0.423800 1.0079 0 - 6763 H2O 1583 H2O O1 4 -0.847600 15.9994 0 - 6764 H2O 1583 H2O H1 3 0.423800 1.0079 0 - 6765 H2O 1583 H2O H2 3 0.423800 1.0079 0 - 6766 H2O 1584 H2O O1 4 -0.847600 15.9994 0 - 6767 H2O 1584 H2O H1 3 0.423800 1.0079 0 - 6768 H2O 1584 H2O H2 3 0.423800 1.0079 0 - 6769 H2O 1585 H2O O1 4 -0.847600 15.9994 0 - 6770 H2O 1585 H2O H1 3 0.423800 1.0079 0 - 6771 H2O 1585 H2O H2 3 0.423800 1.0079 0 - 6772 H2O 1586 H2O O1 4 -0.847600 15.9994 0 - 6773 H2O 1586 H2O H1 3 0.423800 1.0079 0 - 6774 H2O 1586 H2O H2 3 0.423800 1.0079 0 - 6775 H2O 1587 H2O O1 4 -0.847600 15.9994 0 - 6776 H2O 1587 H2O H1 3 0.423800 1.0079 0 - 6777 H2O 1587 H2O H2 3 0.423800 1.0079 0 - 6778 H2O 1588 H2O O1 4 -0.847600 15.9994 0 - 6779 H2O 1588 H2O H1 3 0.423800 1.0079 0 - 6780 H2O 1588 H2O H2 3 0.423800 1.0079 0 - 6781 H2O 1589 H2O O1 4 -0.847600 15.9994 0 - 6782 H2O 1589 H2O H1 3 0.423800 1.0079 0 - 6783 H2O 1589 H2O H2 3 0.423800 1.0079 0 - 6784 H2O 1590 H2O O1 4 -0.847600 15.9994 0 - 6785 H2O 1590 H2O H1 3 0.423800 1.0079 0 - 6786 H2O 1590 H2O H2 3 0.423800 1.0079 0 - 6787 H2O 1591 H2O O1 4 -0.847600 15.9994 0 - 6788 H2O 1591 H2O H1 3 0.423800 1.0079 0 - 6789 H2O 1591 H2O H2 3 0.423800 1.0079 0 - 6790 H2O 1592 H2O O1 4 -0.847600 15.9994 0 - 6791 H2O 1592 H2O H1 3 0.423800 1.0079 0 - 6792 H2O 1592 H2O H2 3 0.423800 1.0079 0 - 6793 H2O 1593 H2O O1 4 -0.847600 15.9994 0 - 6794 H2O 1593 H2O H1 3 0.423800 1.0079 0 - 6795 H2O 1593 H2O H2 3 0.423800 1.0079 0 - 6796 H2O 1594 H2O O1 4 -0.847600 15.9994 0 - 6797 H2O 1594 H2O H1 3 0.423800 1.0079 0 - 6798 H2O 1594 H2O H2 3 0.423800 1.0079 0 - 6799 H2O 1595 H2O O1 4 -0.847600 15.9994 0 - 6800 H2O 1595 H2O H1 3 0.423800 1.0079 0 - 6801 H2O 1595 H2O H2 3 0.423800 1.0079 0 - 6802 H2O 1596 H2O O1 4 -0.847600 15.9994 0 - 6803 H2O 1596 H2O H1 3 0.423800 1.0079 0 - 6804 H2O 1596 H2O H2 3 0.423800 1.0079 0 - 6805 H2O 1597 H2O O1 4 -0.847600 15.9994 0 - 6806 H2O 1597 H2O H1 3 0.423800 1.0079 0 - 6807 H2O 1597 H2O H2 3 0.423800 1.0079 0 - 6808 H2O 1598 H2O O1 4 -0.847600 15.9994 0 - 6809 H2O 1598 H2O H1 3 0.423800 1.0079 0 - 6810 H2O 1598 H2O H2 3 0.423800 1.0079 0 - 6811 H2O 1599 H2O O1 4 -0.847600 15.9994 0 - 6812 H2O 1599 H2O H1 3 0.423800 1.0079 0 - 6813 H2O 1599 H2O H2 3 0.423800 1.0079 0 - 6814 H2O 1600 H2O O1 4 -0.847600 15.9994 0 - 6815 H2O 1600 H2O H1 3 0.423800 1.0079 0 - 6816 H2O 1600 H2O H2 3 0.423800 1.0079 0 - 6817 H2O 1601 H2O O1 4 -0.847600 15.9994 0 - 6818 H2O 1601 H2O H1 3 0.423800 1.0079 0 - 6819 H2O 1601 H2O H2 3 0.423800 1.0079 0 - 6820 H2O 1602 H2O O1 4 -0.847600 15.9994 0 - 6821 H2O 1602 H2O H1 3 0.423800 1.0079 0 - 6822 H2O 1602 H2O H2 3 0.423800 1.0079 0 - 6823 H2O 1603 H2O O1 4 -0.847600 15.9994 0 - 6824 H2O 1603 H2O H1 3 0.423800 1.0079 0 - 6825 H2O 1603 H2O H2 3 0.423800 1.0079 0 - 6826 H2O 1604 H2O O1 4 -0.847600 15.9994 0 - 6827 H2O 1604 H2O H1 3 0.423800 1.0079 0 - 6828 H2O 1604 H2O H2 3 0.423800 1.0079 0 - 6829 H2O 1605 H2O O1 4 -0.847600 15.9994 0 - 6830 H2O 1605 H2O H1 3 0.423800 1.0079 0 - 6831 H2O 1605 H2O H2 3 0.423800 1.0079 0 - 6832 H2O 1606 H2O O1 4 -0.847600 15.9994 0 - 6833 H2O 1606 H2O H1 3 0.423800 1.0079 0 - 6834 H2O 1606 H2O H2 3 0.423800 1.0079 0 - 6835 H2O 1607 H2O O1 4 -0.847600 15.9994 0 - 6836 H2O 1607 H2O H1 3 0.423800 1.0079 0 - 6837 H2O 1607 H2O H2 3 0.423800 1.0079 0 - 6838 H2O 1608 H2O O1 4 -0.847600 15.9994 0 - 6839 H2O 1608 H2O H1 3 0.423800 1.0079 0 - 6840 H2O 1608 H2O H2 3 0.423800 1.0079 0 - 6841 H2O 1609 H2O O1 4 -0.847600 15.9994 0 - 6842 H2O 1609 H2O H1 3 0.423800 1.0079 0 - 6843 H2O 1609 H2O H2 3 0.423800 1.0079 0 - 6844 H2O 1610 H2O O1 4 -0.847600 15.9994 0 - 6845 H2O 1610 H2O H1 3 0.423800 1.0079 0 - 6846 H2O 1610 H2O H2 3 0.423800 1.0079 0 - 6847 H2O 1611 H2O O1 4 -0.847600 15.9994 0 - 6848 H2O 1611 H2O H1 3 0.423800 1.0079 0 - 6849 H2O 1611 H2O H2 3 0.423800 1.0079 0 - 6850 H2O 1612 H2O O1 4 -0.847600 15.9994 0 - 6851 H2O 1612 H2O H1 3 0.423800 1.0079 0 - 6852 H2O 1612 H2O H2 3 0.423800 1.0079 0 - 6853 H2O 1613 H2O O1 4 -0.847600 15.9994 0 - 6854 H2O 1613 H2O H1 3 0.423800 1.0079 0 - 6855 H2O 1613 H2O H2 3 0.423800 1.0079 0 - 6856 H2O 1614 H2O O1 4 -0.847600 15.9994 0 - 6857 H2O 1614 H2O H1 3 0.423800 1.0079 0 - 6858 H2O 1614 H2O H2 3 0.423800 1.0079 0 - 6859 H2O 1615 H2O O1 4 -0.847600 15.9994 0 - 6860 H2O 1615 H2O H1 3 0.423800 1.0079 0 - 6861 H2O 1615 H2O H2 3 0.423800 1.0079 0 - 6862 H2O 1616 H2O O1 4 -0.847600 15.9994 0 - 6863 H2O 1616 H2O H1 3 0.423800 1.0079 0 - 6864 H2O 1616 H2O H2 3 0.423800 1.0079 0 - 6865 H2O 1617 H2O O1 4 -0.847600 15.9994 0 - 6866 H2O 1617 H2O H1 3 0.423800 1.0079 0 - 6867 H2O 1617 H2O H2 3 0.423800 1.0079 0 - 6868 H2O 1618 H2O O1 4 -0.847600 15.9994 0 - 6869 H2O 1618 H2O H1 3 0.423800 1.0079 0 - 6870 H2O 1618 H2O H2 3 0.423800 1.0079 0 - 6871 H2O 1619 H2O O1 4 -0.847600 15.9994 0 - 6872 H2O 1619 H2O H1 3 0.423800 1.0079 0 - 6873 H2O 1619 H2O H2 3 0.423800 1.0079 0 - 6874 H2O 1620 H2O O1 4 -0.847600 15.9994 0 - 6875 H2O 1620 H2O H1 3 0.423800 1.0079 0 - 6876 H2O 1620 H2O H2 3 0.423800 1.0079 0 - 6877 H2O 1621 H2O O1 4 -0.847600 15.9994 0 - 6878 H2O 1621 H2O H1 3 0.423800 1.0079 0 - 6879 H2O 1621 H2O H2 3 0.423800 1.0079 0 - 6880 H2O 1622 H2O O1 4 -0.847600 15.9994 0 - 6881 H2O 1622 H2O H1 3 0.423800 1.0079 0 - 6882 H2O 1622 H2O H2 3 0.423800 1.0079 0 - 6883 H2O 1623 H2O O1 4 -0.847600 15.9994 0 - 6884 H2O 1623 H2O H1 3 0.423800 1.0079 0 - 6885 H2O 1623 H2O H2 3 0.423800 1.0079 0 - 6886 H2O 1624 H2O O1 4 -0.847600 15.9994 0 - 6887 H2O 1624 H2O H1 3 0.423800 1.0079 0 - 6888 H2O 1624 H2O H2 3 0.423800 1.0079 0 - 6889 H2O 1625 H2O O1 4 -0.847600 15.9994 0 - 6890 H2O 1625 H2O H1 3 0.423800 1.0079 0 - 6891 H2O 1625 H2O H2 3 0.423800 1.0079 0 - 6892 H2O 1626 H2O O1 4 -0.847600 15.9994 0 - 6893 H2O 1626 H2O H1 3 0.423800 1.0079 0 - 6894 H2O 1626 H2O H2 3 0.423800 1.0079 0 - 6895 H2O 1627 H2O O1 4 -0.847600 15.9994 0 - 6896 H2O 1627 H2O H1 3 0.423800 1.0079 0 - 6897 H2O 1627 H2O H2 3 0.423800 1.0079 0 - 6898 H2O 1628 H2O O1 4 -0.847600 15.9994 0 - 6899 H2O 1628 H2O H1 3 0.423800 1.0079 0 - 6900 H2O 1628 H2O H2 3 0.423800 1.0079 0 - 6901 H2O 1629 H2O O1 4 -0.847600 15.9994 0 - 6902 H2O 1629 H2O H1 3 0.423800 1.0079 0 - 6903 H2O 1629 H2O H2 3 0.423800 1.0079 0 - 6904 H2O 1630 H2O O1 4 -0.847600 15.9994 0 - 6905 H2O 1630 H2O H1 3 0.423800 1.0079 0 - 6906 H2O 1630 H2O H2 3 0.423800 1.0079 0 - 6907 H2O 1631 H2O O1 4 -0.847600 15.9994 0 - 6908 H2O 1631 H2O H1 3 0.423800 1.0079 0 - 6909 H2O 1631 H2O H2 3 0.423800 1.0079 0 - 6910 H2O 1632 H2O O1 4 -0.847600 15.9994 0 - 6911 H2O 1632 H2O H1 3 0.423800 1.0079 0 - 6912 H2O 1632 H2O H2 3 0.423800 1.0079 0 - 6913 H2O 1633 H2O O1 4 -0.847600 15.9994 0 - 6914 H2O 1633 H2O H1 3 0.423800 1.0079 0 - 6915 H2O 1633 H2O H2 3 0.423800 1.0079 0 - 6916 H2O 1634 H2O O1 4 -0.847600 15.9994 0 - 6917 H2O 1634 H2O H1 3 0.423800 1.0079 0 - 6918 H2O 1634 H2O H2 3 0.423800 1.0079 0 - 6919 H2O 1635 H2O O1 4 -0.847600 15.9994 0 - 6920 H2O 1635 H2O H1 3 0.423800 1.0079 0 - 6921 H2O 1635 H2O H2 3 0.423800 1.0079 0 - 6922 H2O 1636 H2O O1 4 -0.847600 15.9994 0 - 6923 H2O 1636 H2O H1 3 0.423800 1.0079 0 - 6924 H2O 1636 H2O H2 3 0.423800 1.0079 0 - 6925 H2O 1637 H2O O1 4 -0.847600 15.9994 0 - 6926 H2O 1637 H2O H1 3 0.423800 1.0079 0 - 6927 H2O 1637 H2O H2 3 0.423800 1.0079 0 - 6928 H2O 1638 H2O O1 4 -0.847600 15.9994 0 - 6929 H2O 1638 H2O H1 3 0.423800 1.0079 0 - 6930 H2O 1638 H2O H2 3 0.423800 1.0079 0 - 6931 H2O 1639 H2O O1 4 -0.847600 15.9994 0 - 6932 H2O 1639 H2O H1 3 0.423800 1.0079 0 - 6933 H2O 1639 H2O H2 3 0.423800 1.0079 0 - 6934 H2O 1640 H2O O1 4 -0.847600 15.9994 0 - 6935 H2O 1640 H2O H1 3 0.423800 1.0079 0 - 6936 H2O 1640 H2O H2 3 0.423800 1.0079 0 - 6937 H2O 1641 H2O O1 4 -0.847600 15.9994 0 - 6938 H2O 1641 H2O H1 3 0.423800 1.0079 0 - 6939 H2O 1641 H2O H2 3 0.423800 1.0079 0 - 6940 H2O 1642 H2O O1 4 -0.847600 15.9994 0 - 6941 H2O 1642 H2O H1 3 0.423800 1.0079 0 - 6942 H2O 1642 H2O H2 3 0.423800 1.0079 0 - 6943 H2O 1643 H2O O1 4 -0.847600 15.9994 0 - 6944 H2O 1643 H2O H1 3 0.423800 1.0079 0 - 6945 H2O 1643 H2O H2 3 0.423800 1.0079 0 - 6946 H2O 1644 H2O O1 4 -0.847600 15.9994 0 - 6947 H2O 1644 H2O H1 3 0.423800 1.0079 0 - 6948 H2O 1644 H2O H2 3 0.423800 1.0079 0 - 6949 H2O 1645 H2O O1 4 -0.847600 15.9994 0 - 6950 H2O 1645 H2O H1 3 0.423800 1.0079 0 - 6951 H2O 1645 H2O H2 3 0.423800 1.0079 0 - 6952 H2O 1646 H2O O1 4 -0.847600 15.9994 0 - 6953 H2O 1646 H2O H1 3 0.423800 1.0079 0 - 6954 H2O 1646 H2O H2 3 0.423800 1.0079 0 - 6955 H2O 1647 H2O O1 4 -0.847600 15.9994 0 - 6956 H2O 1647 H2O H1 3 0.423800 1.0079 0 - 6957 H2O 1647 H2O H2 3 0.423800 1.0079 0 - 6958 H2O 1648 H2O O1 4 -0.847600 15.9994 0 - 6959 H2O 1648 H2O H1 3 0.423800 1.0079 0 - 6960 H2O 1648 H2O H2 3 0.423800 1.0079 0 - 6961 H2O 1649 H2O O1 4 -0.847600 15.9994 0 - 6962 H2O 1649 H2O H1 3 0.423800 1.0079 0 - 6963 H2O 1649 H2O H2 3 0.423800 1.0079 0 - 6964 H2O 1650 H2O O1 4 -0.847600 15.9994 0 - 6965 H2O 1650 H2O H1 3 0.423800 1.0079 0 - 6966 H2O 1650 H2O H2 3 0.423800 1.0079 0 - 6967 H2O 1651 H2O O1 4 -0.847600 15.9994 0 - 6968 H2O 1651 H2O H1 3 0.423800 1.0079 0 - 6969 H2O 1651 H2O H2 3 0.423800 1.0079 0 - 6970 H2O 1652 H2O O1 4 -0.847600 15.9994 0 - 6971 H2O 1652 H2O H1 3 0.423800 1.0079 0 - 6972 H2O 1652 H2O H2 3 0.423800 1.0079 0 - 6973 H2O 1653 H2O O1 4 -0.847600 15.9994 0 - 6974 H2O 1653 H2O H1 3 0.423800 1.0079 0 - 6975 H2O 1653 H2O H2 3 0.423800 1.0079 0 - 6976 H2O 1654 H2O O1 4 -0.847600 15.9994 0 - 6977 H2O 1654 H2O H1 3 0.423800 1.0079 0 - 6978 H2O 1654 H2O H2 3 0.423800 1.0079 0 - 6979 H2O 1655 H2O O1 4 -0.847600 15.9994 0 - 6980 H2O 1655 H2O H1 3 0.423800 1.0079 0 - 6981 H2O 1655 H2O H2 3 0.423800 1.0079 0 - 6982 H2O 1656 H2O O1 4 -0.847600 15.9994 0 - 6983 H2O 1656 H2O H1 3 0.423800 1.0079 0 - 6984 H2O 1656 H2O H2 3 0.423800 1.0079 0 - 6985 H2O 1657 H2O O1 4 -0.847600 15.9994 0 - 6986 H2O 1657 H2O H1 3 0.423800 1.0079 0 - 6987 H2O 1657 H2O H2 3 0.423800 1.0079 0 - 6988 H2O 1658 H2O O1 4 -0.847600 15.9994 0 - 6989 H2O 1658 H2O H1 3 0.423800 1.0079 0 - 6990 H2O 1658 H2O H2 3 0.423800 1.0079 0 - 6991 H2O 1659 H2O O1 4 -0.847600 15.9994 0 - 6992 H2O 1659 H2O H1 3 0.423800 1.0079 0 - 6993 H2O 1659 H2O H2 3 0.423800 1.0079 0 - 6994 H2O 1660 H2O O1 4 -0.847600 15.9994 0 - 6995 H2O 1660 H2O H1 3 0.423800 1.0079 0 - 6996 H2O 1660 H2O H2 3 0.423800 1.0079 0 - 6997 H2O 1661 H2O O1 4 -0.847600 15.9994 0 - 6998 H2O 1661 H2O H1 3 0.423800 1.0079 0 - 6999 H2O 1661 H2O H2 3 0.423800 1.0079 0 - 7000 H2O 1662 H2O O1 4 -0.847600 15.9994 0 - 7001 H2O 1662 H2O H1 3 0.423800 1.0079 0 - 7002 H2O 1662 H2O H2 3 0.423800 1.0079 0 - 7003 H2O 1663 H2O O1 4 -0.847600 15.9994 0 - 7004 H2O 1663 H2O H1 3 0.423800 1.0079 0 - 7005 H2O 1663 H2O H2 3 0.423800 1.0079 0 - 7006 H2O 1664 H2O O1 4 -0.847600 15.9994 0 - 7007 H2O 1664 H2O H1 3 0.423800 1.0079 0 - 7008 H2O 1664 H2O H2 3 0.423800 1.0079 0 - 7009 H2O 1665 H2O O1 4 -0.847600 15.9994 0 - 7010 H2O 1665 H2O H1 3 0.423800 1.0079 0 - 7011 H2O 1665 H2O H2 3 0.423800 1.0079 0 - 7012 H2O 1666 H2O O1 4 -0.847600 15.9994 0 - 7013 H2O 1666 H2O H1 3 0.423800 1.0079 0 - 7014 H2O 1666 H2O H2 3 0.423800 1.0079 0 - 7015 H2O 1667 H2O O1 4 -0.847600 15.9994 0 - 7016 H2O 1667 H2O H1 3 0.423800 1.0079 0 - 7017 H2O 1667 H2O H2 3 0.423800 1.0079 0 - 7018 H2O 1668 H2O O1 4 -0.847600 15.9994 0 - 7019 H2O 1668 H2O H1 3 0.423800 1.0079 0 - 7020 H2O 1668 H2O H2 3 0.423800 1.0079 0 - 7021 H2O 1669 H2O O1 4 -0.847600 15.9994 0 - 7022 H2O 1669 H2O H1 3 0.423800 1.0079 0 - 7023 H2O 1669 H2O H2 3 0.423800 1.0079 0 - 7024 H2O 1670 H2O O1 4 -0.847600 15.9994 0 - 7025 H2O 1670 H2O H1 3 0.423800 1.0079 0 - 7026 H2O 1670 H2O H2 3 0.423800 1.0079 0 - 7027 H2O 1671 H2O O1 4 -0.847600 15.9994 0 - 7028 H2O 1671 H2O H1 3 0.423800 1.0079 0 - 7029 H2O 1671 H2O H2 3 0.423800 1.0079 0 - 7030 H2O 1672 H2O O1 4 -0.847600 15.9994 0 - 7031 H2O 1672 H2O H1 3 0.423800 1.0079 0 - 7032 H2O 1672 H2O H2 3 0.423800 1.0079 0 - 7033 H2O 1673 H2O O1 4 -0.847600 15.9994 0 - 7034 H2O 1673 H2O H1 3 0.423800 1.0079 0 - 7035 H2O 1673 H2O H2 3 0.423800 1.0079 0 - 7036 H2O 1674 H2O O1 4 -0.847600 15.9994 0 - 7037 H2O 1674 H2O H1 3 0.423800 1.0079 0 - 7038 H2O 1674 H2O H2 3 0.423800 1.0079 0 - 7039 H2O 1675 H2O O1 4 -0.847600 15.9994 0 - 7040 H2O 1675 H2O H1 3 0.423800 1.0079 0 - 7041 H2O 1675 H2O H2 3 0.423800 1.0079 0 - 7042 H2O 1676 H2O O1 4 -0.847600 15.9994 0 - 7043 H2O 1676 H2O H1 3 0.423800 1.0079 0 - 7044 H2O 1676 H2O H2 3 0.423800 1.0079 0 - 7045 H2O 1677 H2O O1 4 -0.847600 15.9994 0 - 7046 H2O 1677 H2O H1 3 0.423800 1.0079 0 - 7047 H2O 1677 H2O H2 3 0.423800 1.0079 0 - 7048 H2O 1678 H2O O1 4 -0.847600 15.9994 0 - 7049 H2O 1678 H2O H1 3 0.423800 1.0079 0 - 7050 H2O 1678 H2O H2 3 0.423800 1.0079 0 - 7051 H2O 1679 H2O O1 4 -0.847600 15.9994 0 - 7052 H2O 1679 H2O H1 3 0.423800 1.0079 0 - 7053 H2O 1679 H2O H2 3 0.423800 1.0079 0 - 7054 H2O 1680 H2O O1 4 -0.847600 15.9994 0 - 7055 H2O 1680 H2O H1 3 0.423800 1.0079 0 - 7056 H2O 1680 H2O H2 3 0.423800 1.0079 0 - 7057 H2O 1681 H2O O1 4 -0.847600 15.9994 0 - 7058 H2O 1681 H2O H1 3 0.423800 1.0079 0 - 7059 H2O 1681 H2O H2 3 0.423800 1.0079 0 - 7060 H2O 1682 H2O O1 4 -0.847600 15.9994 0 - 7061 H2O 1682 H2O H1 3 0.423800 1.0079 0 - 7062 H2O 1682 H2O H2 3 0.423800 1.0079 0 - 7063 H2O 1683 H2O O1 4 -0.847600 15.9994 0 - 7064 H2O 1683 H2O H1 3 0.423800 1.0079 0 - 7065 H2O 1683 H2O H2 3 0.423800 1.0079 0 - 7066 H2O 1684 H2O O1 4 -0.847600 15.9994 0 - 7067 H2O 1684 H2O H1 3 0.423800 1.0079 0 - 7068 H2O 1684 H2O H2 3 0.423800 1.0079 0 - 7069 H2O 1685 H2O O1 4 -0.847600 15.9994 0 - 7070 H2O 1685 H2O H1 3 0.423800 1.0079 0 - 7071 H2O 1685 H2O H2 3 0.423800 1.0079 0 - 7072 H2O 1686 H2O O1 4 -0.847600 15.9994 0 - 7073 H2O 1686 H2O H1 3 0.423800 1.0079 0 - 7074 H2O 1686 H2O H2 3 0.423800 1.0079 0 - 7075 H2O 1687 H2O O1 4 -0.847600 15.9994 0 - 7076 H2O 1687 H2O H1 3 0.423800 1.0079 0 - 7077 H2O 1687 H2O H2 3 0.423800 1.0079 0 - 7078 H2O 1688 H2O O1 4 -0.847600 15.9994 0 - 7079 H2O 1688 H2O H1 3 0.423800 1.0079 0 - 7080 H2O 1688 H2O H2 3 0.423800 1.0079 0 - 7081 H2O 1689 H2O O1 4 -0.847600 15.9994 0 - 7082 H2O 1689 H2O H1 3 0.423800 1.0079 0 - 7083 H2O 1689 H2O H2 3 0.423800 1.0079 0 - 7084 H2O 1690 H2O O1 4 -0.847600 15.9994 0 - 7085 H2O 1690 H2O H1 3 0.423800 1.0079 0 - 7086 H2O 1690 H2O H2 3 0.423800 1.0079 0 - 7087 H2O 1691 H2O O1 4 -0.847600 15.9994 0 - 7088 H2O 1691 H2O H1 3 0.423800 1.0079 0 - 7089 H2O 1691 H2O H2 3 0.423800 1.0079 0 - 7090 H2O 1692 H2O O1 4 -0.847600 15.9994 0 - 7091 H2O 1692 H2O H1 3 0.423800 1.0079 0 - 7092 H2O 1692 H2O H2 3 0.423800 1.0079 0 - 7093 H2O 1693 H2O O1 4 -0.847600 15.9994 0 - 7094 H2O 1693 H2O H1 3 0.423800 1.0079 0 - 7095 H2O 1693 H2O H2 3 0.423800 1.0079 0 - 7096 H2O 1694 H2O O1 4 -0.847600 15.9994 0 - 7097 H2O 1694 H2O H1 3 0.423800 1.0079 0 - 7098 H2O 1694 H2O H2 3 0.423800 1.0079 0 - 7099 H2O 1695 H2O O1 4 -0.847600 15.9994 0 - 7100 H2O 1695 H2O H1 3 0.423800 1.0079 0 - 7101 H2O 1695 H2O H2 3 0.423800 1.0079 0 - 7102 H2O 1696 H2O O1 4 -0.847600 15.9994 0 - 7103 H2O 1696 H2O H1 3 0.423800 1.0079 0 - 7104 H2O 1696 H2O H2 3 0.423800 1.0079 0 - 7105 H2O 1697 H2O O1 4 -0.847600 15.9994 0 - 7106 H2O 1697 H2O H1 3 0.423800 1.0079 0 - 7107 H2O 1697 H2O H2 3 0.423800 1.0079 0 - 7108 H2O 1698 H2O O1 4 -0.847600 15.9994 0 - 7109 H2O 1698 H2O H1 3 0.423800 1.0079 0 - 7110 H2O 1698 H2O H2 3 0.423800 1.0079 0 - 7111 H2O 1699 H2O O1 4 -0.847600 15.9994 0 - 7112 H2O 1699 H2O H1 3 0.423800 1.0079 0 - 7113 H2O 1699 H2O H2 3 0.423800 1.0079 0 - 7114 H2O 1700 H2O O1 4 -0.847600 15.9994 0 - 7115 H2O 1700 H2O H1 3 0.423800 1.0079 0 - 7116 H2O 1700 H2O H2 3 0.423800 1.0079 0 - 7117 H2O 1701 H2O O1 4 -0.847600 15.9994 0 - 7118 H2O 1701 H2O H1 3 0.423800 1.0079 0 - 7119 H2O 1701 H2O H2 3 0.423800 1.0079 0 - 7120 H2O 1702 H2O O1 4 -0.847600 15.9994 0 - 7121 H2O 1702 H2O H1 3 0.423800 1.0079 0 - 7122 H2O 1702 H2O H2 3 0.423800 1.0079 0 - 7123 H2O 1703 H2O O1 4 -0.847600 15.9994 0 - 7124 H2O 1703 H2O H1 3 0.423800 1.0079 0 - 7125 H2O 1703 H2O H2 3 0.423800 1.0079 0 - 7126 H2O 1704 H2O O1 4 -0.847600 15.9994 0 - 7127 H2O 1704 H2O H1 3 0.423800 1.0079 0 - 7128 H2O 1704 H2O H2 3 0.423800 1.0079 0 - 7129 H2O 1705 H2O O1 4 -0.847600 15.9994 0 - 7130 H2O 1705 H2O H1 3 0.423800 1.0079 0 - 7131 H2O 1705 H2O H2 3 0.423800 1.0079 0 - 7132 H2O 1706 H2O O1 4 -0.847600 15.9994 0 - 7133 H2O 1706 H2O H1 3 0.423800 1.0079 0 - 7134 H2O 1706 H2O H2 3 0.423800 1.0079 0 - 7135 H2O 1707 H2O O1 4 -0.847600 15.9994 0 - 7136 H2O 1707 H2O H1 3 0.423800 1.0079 0 - 7137 H2O 1707 H2O H2 3 0.423800 1.0079 0 - 7138 H2O 1708 H2O O1 4 -0.847600 15.9994 0 - 7139 H2O 1708 H2O H1 3 0.423800 1.0079 0 - 7140 H2O 1708 H2O H2 3 0.423800 1.0079 0 - 7141 H2O 1709 H2O O1 4 -0.847600 15.9994 0 - 7142 H2O 1709 H2O H1 3 0.423800 1.0079 0 - 7143 H2O 1709 H2O H2 3 0.423800 1.0079 0 - 7144 H2O 1710 H2O O1 4 -0.847600 15.9994 0 - 7145 H2O 1710 H2O H1 3 0.423800 1.0079 0 - 7146 H2O 1710 H2O H2 3 0.423800 1.0079 0 - 7147 H2O 1711 H2O O1 4 -0.847600 15.9994 0 - 7148 H2O 1711 H2O H1 3 0.423800 1.0079 0 - 7149 H2O 1711 H2O H2 3 0.423800 1.0079 0 - 7150 H2O 1712 H2O O1 4 -0.847600 15.9994 0 - 7151 H2O 1712 H2O H1 3 0.423800 1.0079 0 - 7152 H2O 1712 H2O H2 3 0.423800 1.0079 0 - 7153 H2O 1713 H2O O1 4 -0.847600 15.9994 0 - 7154 H2O 1713 H2O H1 3 0.423800 1.0079 0 - 7155 H2O 1713 H2O H2 3 0.423800 1.0079 0 - 7156 H2O 1714 H2O O1 4 -0.847600 15.9994 0 - 7157 H2O 1714 H2O H1 3 0.423800 1.0079 0 - 7158 H2O 1714 H2O H2 3 0.423800 1.0079 0 - 7159 H2O 1715 H2O O1 4 -0.847600 15.9994 0 - 7160 H2O 1715 H2O H1 3 0.423800 1.0079 0 - 7161 H2O 1715 H2O H2 3 0.423800 1.0079 0 - 7162 H2O 1716 H2O O1 4 -0.847600 15.9994 0 - 7163 H2O 1716 H2O H1 3 0.423800 1.0079 0 - 7164 H2O 1716 H2O H2 3 0.423800 1.0079 0 - 7165 H2O 1717 H2O O1 4 -0.847600 15.9994 0 - 7166 H2O 1717 H2O H1 3 0.423800 1.0079 0 - 7167 H2O 1717 H2O H2 3 0.423800 1.0079 0 - 7168 H2O 1718 H2O O1 4 -0.847600 15.9994 0 - 7169 H2O 1718 H2O H1 3 0.423800 1.0079 0 - 7170 H2O 1718 H2O H2 3 0.423800 1.0079 0 - 7171 H2O 1719 H2O O1 4 -0.847600 15.9994 0 - 7172 H2O 1719 H2O H1 3 0.423800 1.0079 0 - 7173 H2O 1719 H2O H2 3 0.423800 1.0079 0 - 7174 H2O 1720 H2O O1 4 -0.847600 15.9994 0 - 7175 H2O 1720 H2O H1 3 0.423800 1.0079 0 - 7176 H2O 1720 H2O H2 3 0.423800 1.0079 0 - 7177 H2O 1721 H2O O1 4 -0.847600 15.9994 0 - 7178 H2O 1721 H2O H1 3 0.423800 1.0079 0 - 7179 H2O 1721 H2O H2 3 0.423800 1.0079 0 - 7180 H2O 1722 H2O O1 4 -0.847600 15.9994 0 - 7181 H2O 1722 H2O H1 3 0.423800 1.0079 0 - 7182 H2O 1722 H2O H2 3 0.423800 1.0079 0 - 7183 H2O 1723 H2O O1 4 -0.847600 15.9994 0 - 7184 H2O 1723 H2O H1 3 0.423800 1.0079 0 - 7185 H2O 1723 H2O H2 3 0.423800 1.0079 0 - 7186 H2O 1724 H2O O1 4 -0.847600 15.9994 0 - 7187 H2O 1724 H2O H1 3 0.423800 1.0079 0 - 7188 H2O 1724 H2O H2 3 0.423800 1.0079 0 - 7189 H2O 1725 H2O O1 4 -0.847600 15.9994 0 - 7190 H2O 1725 H2O H1 3 0.423800 1.0079 0 - 7191 H2O 1725 H2O H2 3 0.423800 1.0079 0 - 7192 H2O 1726 H2O O1 4 -0.847600 15.9994 0 - 7193 H2O 1726 H2O H1 3 0.423800 1.0079 0 - 7194 H2O 1726 H2O H2 3 0.423800 1.0079 0 - 7195 H2O 1727 H2O O1 4 -0.847600 15.9994 0 - 7196 H2O 1727 H2O H1 3 0.423800 1.0079 0 - 7197 H2O 1727 H2O H2 3 0.423800 1.0079 0 - 7198 H2O 1728 H2O O1 4 -0.847600 15.9994 0 - 7199 H2O 1728 H2O H1 3 0.423800 1.0079 0 - 7200 H2O 1728 H2O H2 3 0.423800 1.0079 0 - 7201 H2O 1729 H2O O1 4 -0.847600 15.9994 0 - 7202 H2O 1729 H2O H1 3 0.423800 1.0079 0 - 7203 H2O 1729 H2O H2 3 0.423800 1.0079 0 - 7204 H2O 1730 H2O O1 4 -0.847600 15.9994 0 - 7205 H2O 1730 H2O H1 3 0.423800 1.0079 0 - 7206 H2O 1730 H2O H2 3 0.423800 1.0079 0 - 7207 H2O 1731 H2O O1 4 -0.847600 15.9994 0 - 7208 H2O 1731 H2O H1 3 0.423800 1.0079 0 - 7209 H2O 1731 H2O H2 3 0.423800 1.0079 0 - 7210 H2O 1732 H2O O1 4 -0.847600 15.9994 0 - 7211 H2O 1732 H2O H1 3 0.423800 1.0079 0 - 7212 H2O 1732 H2O H2 3 0.423800 1.0079 0 - 7213 H2O 1733 H2O O1 4 -0.847600 15.9994 0 - 7214 H2O 1733 H2O H1 3 0.423800 1.0079 0 - 7215 H2O 1733 H2O H2 3 0.423800 1.0079 0 - 7216 H2O 1734 H2O O1 4 -0.847600 15.9994 0 - 7217 H2O 1734 H2O H1 3 0.423800 1.0079 0 - 7218 H2O 1734 H2O H2 3 0.423800 1.0079 0 - 7219 H2O 1735 H2O O1 4 -0.847600 15.9994 0 - 7220 H2O 1735 H2O H1 3 0.423800 1.0079 0 - 7221 H2O 1735 H2O H2 3 0.423800 1.0079 0 - 7222 H2O 1736 H2O O1 4 -0.847600 15.9994 0 - 7223 H2O 1736 H2O H1 3 0.423800 1.0079 0 - 7224 H2O 1736 H2O H2 3 0.423800 1.0079 0 - 7225 H2O 1737 H2O O1 4 -0.847600 15.9994 0 - 7226 H2O 1737 H2O H1 3 0.423800 1.0079 0 - 7227 H2O 1737 H2O H2 3 0.423800 1.0079 0 - 7228 H2O 1738 H2O O1 4 -0.847600 15.9994 0 - 7229 H2O 1738 H2O H1 3 0.423800 1.0079 0 - 7230 H2O 1738 H2O H2 3 0.423800 1.0079 0 - 7231 H2O 1739 H2O O1 4 -0.847600 15.9994 0 - 7232 H2O 1739 H2O H1 3 0.423800 1.0079 0 - 7233 H2O 1739 H2O H2 3 0.423800 1.0079 0 - 7234 H2O 1740 H2O O1 4 -0.847600 15.9994 0 - 7235 H2O 1740 H2O H1 3 0.423800 1.0079 0 - 7236 H2O 1740 H2O H2 3 0.423800 1.0079 0 - 7237 H2O 1741 H2O O1 4 -0.847600 15.9994 0 - 7238 H2O 1741 H2O H1 3 0.423800 1.0079 0 - 7239 H2O 1741 H2O H2 3 0.423800 1.0079 0 - 7240 H2O 1742 H2O O1 4 -0.847600 15.9994 0 - 7241 H2O 1742 H2O H1 3 0.423800 1.0079 0 - 7242 H2O 1742 H2O H2 3 0.423800 1.0079 0 - 7243 H2O 1743 H2O O1 4 -0.847600 15.9994 0 - 7244 H2O 1743 H2O H1 3 0.423800 1.0079 0 - 7245 H2O 1743 H2O H2 3 0.423800 1.0079 0 - 7246 H2O 1744 H2O O1 4 -0.847600 15.9994 0 - 7247 H2O 1744 H2O H1 3 0.423800 1.0079 0 - 7248 H2O 1744 H2O H2 3 0.423800 1.0079 0 - 7249 H2O 1745 H2O O1 4 -0.847600 15.9994 0 - 7250 H2O 1745 H2O H1 3 0.423800 1.0079 0 - 7251 H2O 1745 H2O H2 3 0.423800 1.0079 0 - 7252 H2O 1746 H2O O1 4 -0.847600 15.9994 0 - 7253 H2O 1746 H2O H1 3 0.423800 1.0079 0 - 7254 H2O 1746 H2O H2 3 0.423800 1.0079 0 - 7255 H2O 1747 H2O O1 4 -0.847600 15.9994 0 - 7256 H2O 1747 H2O H1 3 0.423800 1.0079 0 - 7257 H2O 1747 H2O H2 3 0.423800 1.0079 0 - 7258 H2O 1748 H2O O1 4 -0.847600 15.9994 0 - 7259 H2O 1748 H2O H1 3 0.423800 1.0079 0 - 7260 H2O 1748 H2O H2 3 0.423800 1.0079 0 - 7261 H2O 1749 H2O O1 4 -0.847600 15.9994 0 - 7262 H2O 1749 H2O H1 3 0.423800 1.0079 0 - 7263 H2O 1749 H2O H2 3 0.423800 1.0079 0 - 7264 H2O 1750 H2O O1 4 -0.847600 15.9994 0 - 7265 H2O 1750 H2O H1 3 0.423800 1.0079 0 - 7266 H2O 1750 H2O H2 3 0.423800 1.0079 0 - 7267 H2O 1751 H2O O1 4 -0.847600 15.9994 0 - 7268 H2O 1751 H2O H1 3 0.423800 1.0079 0 - 7269 H2O 1751 H2O H2 3 0.423800 1.0079 0 - 7270 H2O 1752 H2O O1 4 -0.847600 15.9994 0 - 7271 H2O 1752 H2O H1 3 0.423800 1.0079 0 - 7272 H2O 1752 H2O H2 3 0.423800 1.0079 0 - 7273 H2O 1753 H2O O1 4 -0.847600 15.9994 0 - 7274 H2O 1753 H2O H1 3 0.423800 1.0079 0 - 7275 H2O 1753 H2O H2 3 0.423800 1.0079 0 - 7276 H2O 1754 H2O O1 4 -0.847600 15.9994 0 - 7277 H2O 1754 H2O H1 3 0.423800 1.0079 0 - 7278 H2O 1754 H2O H2 3 0.423800 1.0079 0 - 7279 H2O 1755 H2O O1 4 -0.847600 15.9994 0 - 7280 H2O 1755 H2O H1 3 0.423800 1.0079 0 - 7281 H2O 1755 H2O H2 3 0.423800 1.0079 0 - 7282 H2O 1756 H2O O1 4 -0.847600 15.9994 0 - 7283 H2O 1756 H2O H1 3 0.423800 1.0079 0 - 7284 H2O 1756 H2O H2 3 0.423800 1.0079 0 - 7285 H2O 1757 H2O O1 4 -0.847600 15.9994 0 - 7286 H2O 1757 H2O H1 3 0.423800 1.0079 0 - 7287 H2O 1757 H2O H2 3 0.423800 1.0079 0 - 7288 H2O 1758 H2O O1 4 -0.847600 15.9994 0 - 7289 H2O 1758 H2O H1 3 0.423800 1.0079 0 - 7290 H2O 1758 H2O H2 3 0.423800 1.0079 0 - 7291 H2O 1759 H2O O1 4 -0.847600 15.9994 0 - 7292 H2O 1759 H2O H1 3 0.423800 1.0079 0 - 7293 H2O 1759 H2O H2 3 0.423800 1.0079 0 - 7294 H2O 1760 H2O O1 4 -0.847600 15.9994 0 - 7295 H2O 1760 H2O H1 3 0.423800 1.0079 0 - 7296 H2O 1760 H2O H2 3 0.423800 1.0079 0 - 7297 H2O 1761 H2O O1 4 -0.847600 15.9994 0 - 7298 H2O 1761 H2O H1 3 0.423800 1.0079 0 - 7299 H2O 1761 H2O H2 3 0.423800 1.0079 0 - 7300 H2O 1762 H2O O1 4 -0.847600 15.9994 0 - 7301 H2O 1762 H2O H1 3 0.423800 1.0079 0 - 7302 H2O 1762 H2O H2 3 0.423800 1.0079 0 - 7303 H2O 1763 H2O O1 4 -0.847600 15.9994 0 - 7304 H2O 1763 H2O H1 3 0.423800 1.0079 0 - 7305 H2O 1763 H2O H2 3 0.423800 1.0079 0 - 7306 H2O 1764 H2O O1 4 -0.847600 15.9994 0 - 7307 H2O 1764 H2O H1 3 0.423800 1.0079 0 - 7308 H2O 1764 H2O H2 3 0.423800 1.0079 0 - 7309 H2O 1765 H2O O1 4 -0.847600 15.9994 0 - 7310 H2O 1765 H2O H1 3 0.423800 1.0079 0 - 7311 H2O 1765 H2O H2 3 0.423800 1.0079 0 - 7312 H2O 1766 H2O O1 4 -0.847600 15.9994 0 - 7313 H2O 1766 H2O H1 3 0.423800 1.0079 0 - 7314 H2O 1766 H2O H2 3 0.423800 1.0079 0 - 7315 H2O 1767 H2O O1 4 -0.847600 15.9994 0 - 7316 H2O 1767 H2O H1 3 0.423800 1.0079 0 - 7317 H2O 1767 H2O H2 3 0.423800 1.0079 0 - 7318 H2O 1768 H2O O1 4 -0.847600 15.9994 0 - 7319 H2O 1768 H2O H1 3 0.423800 1.0079 0 - 7320 H2O 1768 H2O H2 3 0.423800 1.0079 0 - 7321 H2O 1769 H2O O1 4 -0.847600 15.9994 0 - 7322 H2O 1769 H2O H1 3 0.423800 1.0079 0 - 7323 H2O 1769 H2O H2 3 0.423800 1.0079 0 - 7324 H2O 1770 H2O O1 4 -0.847600 15.9994 0 - 7325 H2O 1770 H2O H1 3 0.423800 1.0079 0 - 7326 H2O 1770 H2O H2 3 0.423800 1.0079 0 - 7327 H2O 1771 H2O O1 4 -0.847600 15.9994 0 - 7328 H2O 1771 H2O H1 3 0.423800 1.0079 0 - 7329 H2O 1771 H2O H2 3 0.423800 1.0079 0 - 7330 H2O 1772 H2O O1 4 -0.847600 15.9994 0 - 7331 H2O 1772 H2O H1 3 0.423800 1.0079 0 - 7332 H2O 1772 H2O H2 3 0.423800 1.0079 0 - 7333 H2O 1773 H2O O1 4 -0.847600 15.9994 0 - 7334 H2O 1773 H2O H1 3 0.423800 1.0079 0 - 7335 H2O 1773 H2O H2 3 0.423800 1.0079 0 - 7336 H2O 1774 H2O O1 4 -0.847600 15.9994 0 - 7337 H2O 1774 H2O H1 3 0.423800 1.0079 0 - 7338 H2O 1774 H2O H2 3 0.423800 1.0079 0 - 7339 H2O 1775 H2O O1 4 -0.847600 15.9994 0 - 7340 H2O 1775 H2O H1 3 0.423800 1.0079 0 - 7341 H2O 1775 H2O H2 3 0.423800 1.0079 0 - 7342 H2O 1776 H2O O1 4 -0.847600 15.9994 0 - 7343 H2O 1776 H2O H1 3 0.423800 1.0079 0 - 7344 H2O 1776 H2O H2 3 0.423800 1.0079 0 - 7345 H2O 1777 H2O O1 4 -0.847600 15.9994 0 - 7346 H2O 1777 H2O H1 3 0.423800 1.0079 0 - 7347 H2O 1777 H2O H2 3 0.423800 1.0079 0 - 7348 H2O 1778 H2O O1 4 -0.847600 15.9994 0 - 7349 H2O 1778 H2O H1 3 0.423800 1.0079 0 - 7350 H2O 1778 H2O H2 3 0.423800 1.0079 0 - 7351 H2O 1779 H2O O1 4 -0.847600 15.9994 0 - 7352 H2O 1779 H2O H1 3 0.423800 1.0079 0 - 7353 H2O 1779 H2O H2 3 0.423800 1.0079 0 - 7354 H2O 1780 H2O O1 4 -0.847600 15.9994 0 - 7355 H2O 1780 H2O H1 3 0.423800 1.0079 0 - 7356 H2O 1780 H2O H2 3 0.423800 1.0079 0 - 7357 H2O 1781 H2O O1 4 -0.847600 15.9994 0 - 7358 H2O 1781 H2O H1 3 0.423800 1.0079 0 - 7359 H2O 1781 H2O H2 3 0.423800 1.0079 0 - 7360 H2O 1782 H2O O1 4 -0.847600 15.9994 0 - 7361 H2O 1782 H2O H1 3 0.423800 1.0079 0 - 7362 H2O 1782 H2O H2 3 0.423800 1.0079 0 - 7363 H2O 1783 H2O O1 4 -0.847600 15.9994 0 - 7364 H2O 1783 H2O H1 3 0.423800 1.0079 0 - 7365 H2O 1783 H2O H2 3 0.423800 1.0079 0 - 7366 H2O 1784 H2O O1 4 -0.847600 15.9994 0 - 7367 H2O 1784 H2O H1 3 0.423800 1.0079 0 - 7368 H2O 1784 H2O H2 3 0.423800 1.0079 0 - 7369 H2O 1785 H2O O1 4 -0.847600 15.9994 0 - 7370 H2O 1785 H2O H1 3 0.423800 1.0079 0 - 7371 H2O 1785 H2O H2 3 0.423800 1.0079 0 - 7372 H2O 1786 H2O O1 4 -0.847600 15.9994 0 - 7373 H2O 1786 H2O H1 3 0.423800 1.0079 0 - 7374 H2O 1786 H2O H2 3 0.423800 1.0079 0 - 7375 H2O 1787 H2O O1 4 -0.847600 15.9994 0 - 7376 H2O 1787 H2O H1 3 0.423800 1.0079 0 - 7377 H2O 1787 H2O H2 3 0.423800 1.0079 0 - 7378 H2O 1788 H2O O1 4 -0.847600 15.9994 0 - 7379 H2O 1788 H2O H1 3 0.423800 1.0079 0 - 7380 H2O 1788 H2O H2 3 0.423800 1.0079 0 - 7381 H2O 1789 H2O O1 4 -0.847600 15.9994 0 - 7382 H2O 1789 H2O H1 3 0.423800 1.0079 0 - 7383 H2O 1789 H2O H2 3 0.423800 1.0079 0 - 7384 H2O 1790 H2O O1 4 -0.847600 15.9994 0 - 7385 H2O 1790 H2O H1 3 0.423800 1.0079 0 - 7386 H2O 1790 H2O H2 3 0.423800 1.0079 0 - 7387 H2O 1791 H2O O1 4 -0.847600 15.9994 0 - 7388 H2O 1791 H2O H1 3 0.423800 1.0079 0 - 7389 H2O 1791 H2O H2 3 0.423800 1.0079 0 - 7390 H2O 1792 H2O O1 4 -0.847600 15.9994 0 - 7391 H2O 1792 H2O H1 3 0.423800 1.0079 0 - 7392 H2O 1792 H2O H2 3 0.423800 1.0079 0 - 7393 H2O 1793 H2O O1 4 -0.847600 15.9994 0 - 7394 H2O 1793 H2O H1 3 0.423800 1.0079 0 - 7395 H2O 1793 H2O H2 3 0.423800 1.0079 0 - 7396 H2O 1794 H2O O1 4 -0.847600 15.9994 0 - 7397 H2O 1794 H2O H1 3 0.423800 1.0079 0 - 7398 H2O 1794 H2O H2 3 0.423800 1.0079 0 - 7399 H2O 1795 H2O O1 4 -0.847600 15.9994 0 - 7400 H2O 1795 H2O H1 3 0.423800 1.0079 0 - 7401 H2O 1795 H2O H2 3 0.423800 1.0079 0 - 7402 H2O 1796 H2O O1 4 -0.847600 15.9994 0 - 7403 H2O 1796 H2O H1 3 0.423800 1.0079 0 - 7404 H2O 1796 H2O H2 3 0.423800 1.0079 0 - 7405 H2O 1797 H2O O1 4 -0.847600 15.9994 0 - 7406 H2O 1797 H2O H1 3 0.423800 1.0079 0 - 7407 H2O 1797 H2O H2 3 0.423800 1.0079 0 - 7408 H2O 1798 H2O O1 4 -0.847600 15.9994 0 - 7409 H2O 1798 H2O H1 3 0.423800 1.0079 0 - 7410 H2O 1798 H2O H2 3 0.423800 1.0079 0 - 7411 H2O 1799 H2O O1 4 -0.847600 15.9994 0 - 7412 H2O 1799 H2O H1 3 0.423800 1.0079 0 - 7413 H2O 1799 H2O H2 3 0.423800 1.0079 0 - 7414 H2O 1800 H2O O1 4 -0.847600 15.9994 0 - 7415 H2O 1800 H2O H1 3 0.423800 1.0079 0 - 7416 H2O 1800 H2O H2 3 0.423800 1.0079 0 - 7417 H2O 1801 H2O O1 4 -0.847600 15.9994 0 - 7418 H2O 1801 H2O H1 3 0.423800 1.0079 0 - 7419 H2O 1801 H2O H2 3 0.423800 1.0079 0 - 7420 H2O 1802 H2O O1 4 -0.847600 15.9994 0 - 7421 H2O 1802 H2O H1 3 0.423800 1.0079 0 - 7422 H2O 1802 H2O H2 3 0.423800 1.0079 0 - 7423 H2O 1803 H2O O1 4 -0.847600 15.9994 0 - 7424 H2O 1803 H2O H1 3 0.423800 1.0079 0 - 7425 H2O 1803 H2O H2 3 0.423800 1.0079 0 - 7426 H2O 1804 H2O O1 4 -0.847600 15.9994 0 - 7427 H2O 1804 H2O H1 3 0.423800 1.0079 0 - 7428 H2O 1804 H2O H2 3 0.423800 1.0079 0 - 7429 H2O 1805 H2O O1 4 -0.847600 15.9994 0 - 7430 H2O 1805 H2O H1 3 0.423800 1.0079 0 - 7431 H2O 1805 H2O H2 3 0.423800 1.0079 0 - 7432 H2O 1806 H2O O1 4 -0.847600 15.9994 0 - 7433 H2O 1806 H2O H1 3 0.423800 1.0079 0 - 7434 H2O 1806 H2O H2 3 0.423800 1.0079 0 - 7435 H2O 1807 H2O O1 4 -0.847600 15.9994 0 - 7436 H2O 1807 H2O H1 3 0.423800 1.0079 0 - 7437 H2O 1807 H2O H2 3 0.423800 1.0079 0 - 7438 H2O 1808 H2O O1 4 -0.847600 15.9994 0 - 7439 H2O 1808 H2O H1 3 0.423800 1.0079 0 - 7440 H2O 1808 H2O H2 3 0.423800 1.0079 0 - 7441 H2O 1809 H2O O1 4 -0.847600 15.9994 0 - 7442 H2O 1809 H2O H1 3 0.423800 1.0079 0 - 7443 H2O 1809 H2O H2 3 0.423800 1.0079 0 - 7444 H2O 1810 H2O O1 4 -0.847600 15.9994 0 - 7445 H2O 1810 H2O H1 3 0.423800 1.0079 0 - 7446 H2O 1810 H2O H2 3 0.423800 1.0079 0 - 7447 H2O 1811 H2O O1 4 -0.847600 15.9994 0 - 7448 H2O 1811 H2O H1 3 0.423800 1.0079 0 - 7449 H2O 1811 H2O H2 3 0.423800 1.0079 0 - 7450 H2O 1812 H2O O1 4 -0.847600 15.9994 0 - 7451 H2O 1812 H2O H1 3 0.423800 1.0079 0 - 7452 H2O 1812 H2O H2 3 0.423800 1.0079 0 - 7453 H2O 1813 H2O O1 4 -0.847600 15.9994 0 - 7454 H2O 1813 H2O H1 3 0.423800 1.0079 0 - 7455 H2O 1813 H2O H2 3 0.423800 1.0079 0 - 7456 H2O 1814 H2O O1 4 -0.847600 15.9994 0 - 7457 H2O 1814 H2O H1 3 0.423800 1.0079 0 - 7458 H2O 1814 H2O H2 3 0.423800 1.0079 0 - 7459 H2O 1815 H2O O1 4 -0.847600 15.9994 0 - 7460 H2O 1815 H2O H1 3 0.423800 1.0079 0 - 7461 H2O 1815 H2O H2 3 0.423800 1.0079 0 - 7462 H2O 1816 H2O O1 4 -0.847600 15.9994 0 - 7463 H2O 1816 H2O H1 3 0.423800 1.0079 0 - 7464 H2O 1816 H2O H2 3 0.423800 1.0079 0 - 7465 H2O 1817 H2O O1 4 -0.847600 15.9994 0 - 7466 H2O 1817 H2O H1 3 0.423800 1.0079 0 - 7467 H2O 1817 H2O H2 3 0.423800 1.0079 0 - 7468 H2O 1818 H2O O1 4 -0.847600 15.9994 0 - 7469 H2O 1818 H2O H1 3 0.423800 1.0079 0 - 7470 H2O 1818 H2O H2 3 0.423800 1.0079 0 - 7471 H2O 1819 H2O O1 4 -0.847600 15.9994 0 - 7472 H2O 1819 H2O H1 3 0.423800 1.0079 0 - 7473 H2O 1819 H2O H2 3 0.423800 1.0079 0 - 7474 H2O 1820 H2O O1 4 -0.847600 15.9994 0 - 7475 H2O 1820 H2O H1 3 0.423800 1.0079 0 - 7476 H2O 1820 H2O H2 3 0.423800 1.0079 0 - 7477 H2O 1821 H2O O1 4 -0.847600 15.9994 0 - 7478 H2O 1821 H2O H1 3 0.423800 1.0079 0 - 7479 H2O 1821 H2O H2 3 0.423800 1.0079 0 - 7480 H2O 1822 H2O O1 4 -0.847600 15.9994 0 - 7481 H2O 1822 H2O H1 3 0.423800 1.0079 0 - 7482 H2O 1822 H2O H2 3 0.423800 1.0079 0 - 7483 H2O 1823 H2O O1 4 -0.847600 15.9994 0 - 7484 H2O 1823 H2O H1 3 0.423800 1.0079 0 - 7485 H2O 1823 H2O H2 3 0.423800 1.0079 0 - 7486 H2O 1824 H2O O1 4 -0.847600 15.9994 0 - 7487 H2O 1824 H2O H1 3 0.423800 1.0079 0 - 7488 H2O 1824 H2O H2 3 0.423800 1.0079 0 - 7489 H2O 1825 H2O O1 4 -0.847600 15.9994 0 - 7490 H2O 1825 H2O H1 3 0.423800 1.0079 0 - 7491 H2O 1825 H2O H2 3 0.423800 1.0079 0 - 7492 H2O 1826 H2O O1 4 -0.847600 15.9994 0 - 7493 H2O 1826 H2O H1 3 0.423800 1.0079 0 - 7494 H2O 1826 H2O H2 3 0.423800 1.0079 0 - 7495 H2O 1827 H2O O1 4 -0.847600 15.9994 0 - 7496 H2O 1827 H2O H1 3 0.423800 1.0079 0 - 7497 H2O 1827 H2O H2 3 0.423800 1.0079 0 - 7498 H2O 1828 H2O O1 4 -0.847600 15.9994 0 - 7499 H2O 1828 H2O H1 3 0.423800 1.0079 0 - 7500 H2O 1828 H2O H2 3 0.423800 1.0079 0 - 7501 H2O 1829 H2O O1 4 -0.847600 15.9994 0 - 7502 H2O 1829 H2O H1 3 0.423800 1.0079 0 - 7503 H2O 1829 H2O H2 3 0.423800 1.0079 0 - 7504 H2O 1830 H2O O1 4 -0.847600 15.9994 0 - 7505 H2O 1830 H2O H1 3 0.423800 1.0079 0 - 7506 H2O 1830 H2O H2 3 0.423800 1.0079 0 - 7507 H2O 1831 H2O O1 4 -0.847600 15.9994 0 - 7508 H2O 1831 H2O H1 3 0.423800 1.0079 0 - 7509 H2O 1831 H2O H2 3 0.423800 1.0079 0 - 7510 H2O 1832 H2O O1 4 -0.847600 15.9994 0 - 7511 H2O 1832 H2O H1 3 0.423800 1.0079 0 - 7512 H2O 1832 H2O H2 3 0.423800 1.0079 0 - 7513 H2O 1833 H2O O1 4 -0.847600 15.9994 0 - 7514 H2O 1833 H2O H1 3 0.423800 1.0079 0 - 7515 H2O 1833 H2O H2 3 0.423800 1.0079 0 - 7516 H2O 1834 H2O O1 4 -0.847600 15.9994 0 - 7517 H2O 1834 H2O H1 3 0.423800 1.0079 0 - 7518 H2O 1834 H2O H2 3 0.423800 1.0079 0 - 7519 H2O 1835 H2O O1 4 -0.847600 15.9994 0 - 7520 H2O 1835 H2O H1 3 0.423800 1.0079 0 - 7521 H2O 1835 H2O H2 3 0.423800 1.0079 0 - 7522 H2O 1836 H2O O1 4 -0.847600 15.9994 0 - 7523 H2O 1836 H2O H1 3 0.423800 1.0079 0 - 7524 H2O 1836 H2O H2 3 0.423800 1.0079 0 - 7525 H2O 1837 H2O O1 4 -0.847600 15.9994 0 - 7526 H2O 1837 H2O H1 3 0.423800 1.0079 0 - 7527 H2O 1837 H2O H2 3 0.423800 1.0079 0 - 7528 H2O 1838 H2O O1 4 -0.847600 15.9994 0 - 7529 H2O 1838 H2O H1 3 0.423800 1.0079 0 - 7530 H2O 1838 H2O H2 3 0.423800 1.0079 0 - 7531 H2O 1839 H2O O1 4 -0.847600 15.9994 0 - 7532 H2O 1839 H2O H1 3 0.423800 1.0079 0 - 7533 H2O 1839 H2O H2 3 0.423800 1.0079 0 - 7534 H2O 1840 H2O O1 4 -0.847600 15.9994 0 - 7535 H2O 1840 H2O H1 3 0.423800 1.0079 0 - 7536 H2O 1840 H2O H2 3 0.423800 1.0079 0 - 7537 H2O 1841 H2O O1 4 -0.847600 15.9994 0 - 7538 H2O 1841 H2O H1 3 0.423800 1.0079 0 - 7539 H2O 1841 H2O H2 3 0.423800 1.0079 0 - 7540 H2O 1842 H2O O1 4 -0.847600 15.9994 0 - 7541 H2O 1842 H2O H1 3 0.423800 1.0079 0 - 7542 H2O 1842 H2O H2 3 0.423800 1.0079 0 - 7543 H2O 1843 H2O O1 4 -0.847600 15.9994 0 - 7544 H2O 1843 H2O H1 3 0.423800 1.0079 0 - 7545 H2O 1843 H2O H2 3 0.423800 1.0079 0 - 7546 H2O 1844 H2O O1 4 -0.847600 15.9994 0 - 7547 H2O 1844 H2O H1 3 0.423800 1.0079 0 - 7548 H2O 1844 H2O H2 3 0.423800 1.0079 0 - 7549 H2O 1845 H2O O1 4 -0.847600 15.9994 0 - 7550 H2O 1845 H2O H1 3 0.423800 1.0079 0 - 7551 H2O 1845 H2O H2 3 0.423800 1.0079 0 - 7552 H2O 1846 H2O O1 4 -0.847600 15.9994 0 - 7553 H2O 1846 H2O H1 3 0.423800 1.0079 0 - 7554 H2O 1846 H2O H2 3 0.423800 1.0079 0 - 7555 H2O 1847 H2O O1 4 -0.847600 15.9994 0 - 7556 H2O 1847 H2O H1 3 0.423800 1.0079 0 - 7557 H2O 1847 H2O H2 3 0.423800 1.0079 0 - 7558 H2O 1848 H2O O1 4 -0.847600 15.9994 0 - 7559 H2O 1848 H2O H1 3 0.423800 1.0079 0 - 7560 H2O 1848 H2O H2 3 0.423800 1.0079 0 - 7561 H2O 1849 H2O O1 4 -0.847600 15.9994 0 - 7562 H2O 1849 H2O H1 3 0.423800 1.0079 0 - 7563 H2O 1849 H2O H2 3 0.423800 1.0079 0 - 7564 H2O 1850 H2O O1 4 -0.847600 15.9994 0 - 7565 H2O 1850 H2O H1 3 0.423800 1.0079 0 - 7566 H2O 1850 H2O H2 3 0.423800 1.0079 0 - 7567 H2O 1851 H2O O1 4 -0.847600 15.9994 0 - 7568 H2O 1851 H2O H1 3 0.423800 1.0079 0 - 7569 H2O 1851 H2O H2 3 0.423800 1.0079 0 - 7570 H2O 1852 H2O O1 4 -0.847600 15.9994 0 - 7571 H2O 1852 H2O H1 3 0.423800 1.0079 0 - 7572 H2O 1852 H2O H2 3 0.423800 1.0079 0 - 7573 H2O 1853 H2O O1 4 -0.847600 15.9994 0 - 7574 H2O 1853 H2O H1 3 0.423800 1.0079 0 - 7575 H2O 1853 H2O H2 3 0.423800 1.0079 0 - 7576 H2O 1854 H2O O1 4 -0.847600 15.9994 0 - 7577 H2O 1854 H2O H1 3 0.423800 1.0079 0 - 7578 H2O 1854 H2O H2 3 0.423800 1.0079 0 - 7579 H2O 1855 H2O O1 4 -0.847600 15.9994 0 - 7580 H2O 1855 H2O H1 3 0.423800 1.0079 0 - 7581 H2O 1855 H2O H2 3 0.423800 1.0079 0 - 7582 H2O 1856 H2O O1 4 -0.847600 15.9994 0 - 7583 H2O 1856 H2O H1 3 0.423800 1.0079 0 - 7584 H2O 1856 H2O H2 3 0.423800 1.0079 0 - 7585 H2O 1857 H2O O1 4 -0.847600 15.9994 0 - 7586 H2O 1857 H2O H1 3 0.423800 1.0079 0 - 7587 H2O 1857 H2O H2 3 0.423800 1.0079 0 - 7588 H2O 1858 H2O O1 4 -0.847600 15.9994 0 - 7589 H2O 1858 H2O H1 3 0.423800 1.0079 0 - 7590 H2O 1858 H2O H2 3 0.423800 1.0079 0 - 7591 H2O 1859 H2O O1 4 -0.847600 15.9994 0 - 7592 H2O 1859 H2O H1 3 0.423800 1.0079 0 - 7593 H2O 1859 H2O H2 3 0.423800 1.0079 0 - 7594 H2O 1860 H2O O1 4 -0.847600 15.9994 0 - 7595 H2O 1860 H2O H1 3 0.423800 1.0079 0 - 7596 H2O 1860 H2O H2 3 0.423800 1.0079 0 - 7597 H2O 1861 H2O O1 4 -0.847600 15.9994 0 - 7598 H2O 1861 H2O H1 3 0.423800 1.0079 0 - 7599 H2O 1861 H2O H2 3 0.423800 1.0079 0 - 7600 H2O 1862 H2O O1 4 -0.847600 15.9994 0 - 7601 H2O 1862 H2O H1 3 0.423800 1.0079 0 - 7602 H2O 1862 H2O H2 3 0.423800 1.0079 0 - 7603 H2O 1863 H2O O1 4 -0.847600 15.9994 0 - 7604 H2O 1863 H2O H1 3 0.423800 1.0079 0 - 7605 H2O 1863 H2O H2 3 0.423800 1.0079 0 - 7606 H2O 1864 H2O O1 4 -0.847600 15.9994 0 - 7607 H2O 1864 H2O H1 3 0.423800 1.0079 0 - 7608 H2O 1864 H2O H2 3 0.423800 1.0079 0 - 7609 H2O 1865 H2O O1 4 -0.847600 15.9994 0 - 7610 H2O 1865 H2O H1 3 0.423800 1.0079 0 - 7611 H2O 1865 H2O H2 3 0.423800 1.0079 0 - 7612 H2O 1866 H2O O1 4 -0.847600 15.9994 0 - 7613 H2O 1866 H2O H1 3 0.423800 1.0079 0 - 7614 H2O 1866 H2O H2 3 0.423800 1.0079 0 - 7615 H2O 1867 H2O O1 4 -0.847600 15.9994 0 - 7616 H2O 1867 H2O H1 3 0.423800 1.0079 0 - 7617 H2O 1867 H2O H2 3 0.423800 1.0079 0 - 7618 H2O 1868 H2O O1 4 -0.847600 15.9994 0 - 7619 H2O 1868 H2O H1 3 0.423800 1.0079 0 - 7620 H2O 1868 H2O H2 3 0.423800 1.0079 0 - 7621 H2O 1869 H2O O1 4 -0.847600 15.9994 0 - 7622 H2O 1869 H2O H1 3 0.423800 1.0079 0 - 7623 H2O 1869 H2O H2 3 0.423800 1.0079 0 - 7624 H2O 1870 H2O O1 4 -0.847600 15.9994 0 - 7625 H2O 1870 H2O H1 3 0.423800 1.0079 0 - 7626 H2O 1870 H2O H2 3 0.423800 1.0079 0 - 7627 H2O 1871 H2O O1 4 -0.847600 15.9994 0 - 7628 H2O 1871 H2O H1 3 0.423800 1.0079 0 - 7629 H2O 1871 H2O H2 3 0.423800 1.0079 0 - 7630 H2O 1872 H2O O1 4 -0.847600 15.9994 0 - 7631 H2O 1872 H2O H1 3 0.423800 1.0079 0 - 7632 H2O 1872 H2O H2 3 0.423800 1.0079 0 - 7633 H2O 1873 H2O O1 4 -0.847600 15.9994 0 - 7634 H2O 1873 H2O H1 3 0.423800 1.0079 0 - 7635 H2O 1873 H2O H2 3 0.423800 1.0079 0 - 7636 H2O 1874 H2O O1 4 -0.847600 15.9994 0 - 7637 H2O 1874 H2O H1 3 0.423800 1.0079 0 - 7638 H2O 1874 H2O H2 3 0.423800 1.0079 0 - 7639 H2O 1875 H2O O1 4 -0.847600 15.9994 0 - 7640 H2O 1875 H2O H1 3 0.423800 1.0079 0 - 7641 H2O 1875 H2O H2 3 0.423800 1.0079 0 - 7642 H2O 1876 H2O O1 4 -0.847600 15.9994 0 - 7643 H2O 1876 H2O H1 3 0.423800 1.0079 0 - 7644 H2O 1876 H2O H2 3 0.423800 1.0079 0 - 7645 H2O 1877 H2O O1 4 -0.847600 15.9994 0 - 7646 H2O 1877 H2O H1 3 0.423800 1.0079 0 - 7647 H2O 1877 H2O H2 3 0.423800 1.0079 0 - 7648 H2O 1878 H2O O1 4 -0.847600 15.9994 0 - 7649 H2O 1878 H2O H1 3 0.423800 1.0079 0 - 7650 H2O 1878 H2O H2 3 0.423800 1.0079 0 - 7651 H2O 1879 H2O O1 4 -0.847600 15.9994 0 - 7652 H2O 1879 H2O H1 3 0.423800 1.0079 0 - 7653 H2O 1879 H2O H2 3 0.423800 1.0079 0 - 7654 H2O 1880 H2O O1 4 -0.847600 15.9994 0 - 7655 H2O 1880 H2O H1 3 0.423800 1.0079 0 - 7656 H2O 1880 H2O H2 3 0.423800 1.0079 0 - 7657 H2O 1881 H2O O1 4 -0.847600 15.9994 0 - 7658 H2O 1881 H2O H1 3 0.423800 1.0079 0 - 7659 H2O 1881 H2O H2 3 0.423800 1.0079 0 - 7660 H2O 1882 H2O O1 4 -0.847600 15.9994 0 - 7661 H2O 1882 H2O H1 3 0.423800 1.0079 0 - 7662 H2O 1882 H2O H2 3 0.423800 1.0079 0 - 7663 H2O 1883 H2O O1 4 -0.847600 15.9994 0 - 7664 H2O 1883 H2O H1 3 0.423800 1.0079 0 - 7665 H2O 1883 H2O H2 3 0.423800 1.0079 0 - 7666 H2O 1884 H2O O1 4 -0.847600 15.9994 0 - 7667 H2O 1884 H2O H1 3 0.423800 1.0079 0 - 7668 H2O 1884 H2O H2 3 0.423800 1.0079 0 - 7669 H2O 1885 H2O O1 4 -0.847600 15.9994 0 - 7670 H2O 1885 H2O H1 3 0.423800 1.0079 0 - 7671 H2O 1885 H2O H2 3 0.423800 1.0079 0 - 7672 H2O 1886 H2O O1 4 -0.847600 15.9994 0 - 7673 H2O 1886 H2O H1 3 0.423800 1.0079 0 - 7674 H2O 1886 H2O H2 3 0.423800 1.0079 0 - 7675 H2O 1887 H2O O1 4 -0.847600 15.9994 0 - 7676 H2O 1887 H2O H1 3 0.423800 1.0079 0 - 7677 H2O 1887 H2O H2 3 0.423800 1.0079 0 - 7678 H2O 1888 H2O O1 4 -0.847600 15.9994 0 - 7679 H2O 1888 H2O H1 3 0.423800 1.0079 0 - 7680 H2O 1888 H2O H2 3 0.423800 1.0079 0 - 7681 H2O 1889 H2O O1 4 -0.847600 15.9994 0 - 7682 H2O 1889 H2O H1 3 0.423800 1.0079 0 - 7683 H2O 1889 H2O H2 3 0.423800 1.0079 0 - 7684 H2O 1890 H2O O1 4 -0.847600 15.9994 0 - 7685 H2O 1890 H2O H1 3 0.423800 1.0079 0 - 7686 H2O 1890 H2O H2 3 0.423800 1.0079 0 - 7687 H2O 1891 H2O O1 4 -0.847600 15.9994 0 - 7688 H2O 1891 H2O H1 3 0.423800 1.0079 0 - 7689 H2O 1891 H2O H2 3 0.423800 1.0079 0 - 7690 H2O 1892 H2O O1 4 -0.847600 15.9994 0 - 7691 H2O 1892 H2O H1 3 0.423800 1.0079 0 - 7692 H2O 1892 H2O H2 3 0.423800 1.0079 0 - 7693 H2O 1893 H2O O1 4 -0.847600 15.9994 0 - 7694 H2O 1893 H2O H1 3 0.423800 1.0079 0 - 7695 H2O 1893 H2O H2 3 0.423800 1.0079 0 - 7696 H2O 1894 H2O O1 4 -0.847600 15.9994 0 - 7697 H2O 1894 H2O H1 3 0.423800 1.0079 0 - 7698 H2O 1894 H2O H2 3 0.423800 1.0079 0 - 7699 H2O 1895 H2O O1 4 -0.847600 15.9994 0 - 7700 H2O 1895 H2O H1 3 0.423800 1.0079 0 - 7701 H2O 1895 H2O H2 3 0.423800 1.0079 0 - 7702 H2O 1896 H2O O1 4 -0.847600 15.9994 0 - 7703 H2O 1896 H2O H1 3 0.423800 1.0079 0 - 7704 H2O 1896 H2O H2 3 0.423800 1.0079 0 - 7705 H2O 1897 H2O O1 4 -0.847600 15.9994 0 - 7706 H2O 1897 H2O H1 3 0.423800 1.0079 0 - 7707 H2O 1897 H2O H2 3 0.423800 1.0079 0 - 7708 H2O 1898 H2O O1 4 -0.847600 15.9994 0 - 7709 H2O 1898 H2O H1 3 0.423800 1.0079 0 - 7710 H2O 1898 H2O H2 3 0.423800 1.0079 0 - 7711 H2O 1899 H2O O1 4 -0.847600 15.9994 0 - 7712 H2O 1899 H2O H1 3 0.423800 1.0079 0 - 7713 H2O 1899 H2O H2 3 0.423800 1.0079 0 - 7714 H2O 1900 H2O O1 4 -0.847600 15.9994 0 - 7715 H2O 1900 H2O H1 3 0.423800 1.0079 0 - 7716 H2O 1900 H2O H2 3 0.423800 1.0079 0 - 7717 H2O 1901 H2O O1 4 -0.847600 15.9994 0 - 7718 H2O 1901 H2O H1 3 0.423800 1.0079 0 - 7719 H2O 1901 H2O H2 3 0.423800 1.0079 0 - 7720 H2O 1902 H2O O1 4 -0.847600 15.9994 0 - 7721 H2O 1902 H2O H1 3 0.423800 1.0079 0 - 7722 H2O 1902 H2O H2 3 0.423800 1.0079 0 - 7723 H2O 1903 H2O O1 4 -0.847600 15.9994 0 - 7724 H2O 1903 H2O H1 3 0.423800 1.0079 0 - 7725 H2O 1903 H2O H2 3 0.423800 1.0079 0 - 7726 H2O 1904 H2O O1 4 -0.847600 15.9994 0 - 7727 H2O 1904 H2O H1 3 0.423800 1.0079 0 - 7728 H2O 1904 H2O H2 3 0.423800 1.0079 0 - 7729 H2O 1905 H2O O1 4 -0.847600 15.9994 0 - 7730 H2O 1905 H2O H1 3 0.423800 1.0079 0 - 7731 H2O 1905 H2O H2 3 0.423800 1.0079 0 - 7732 H2O 1906 H2O O1 4 -0.847600 15.9994 0 - 7733 H2O 1906 H2O H1 3 0.423800 1.0079 0 - 7734 H2O 1906 H2O H2 3 0.423800 1.0079 0 - 7735 H2O 1907 H2O O1 4 -0.847600 15.9994 0 - 7736 H2O 1907 H2O H1 3 0.423800 1.0079 0 - 7737 H2O 1907 H2O H2 3 0.423800 1.0079 0 - 7738 H2O 1908 H2O O1 4 -0.847600 15.9994 0 - 7739 H2O 1908 H2O H1 3 0.423800 1.0079 0 - 7740 H2O 1908 H2O H2 3 0.423800 1.0079 0 - 7741 H2O 1909 H2O O1 4 -0.847600 15.9994 0 - 7742 H2O 1909 H2O H1 3 0.423800 1.0079 0 - 7743 H2O 1909 H2O H2 3 0.423800 1.0079 0 - 7744 H2O 1910 H2O O1 4 -0.847600 15.9994 0 - 7745 H2O 1910 H2O H1 3 0.423800 1.0079 0 - 7746 H2O 1910 H2O H2 3 0.423800 1.0079 0 - 7747 H2O 1911 H2O O1 4 -0.847600 15.9994 0 - 7748 H2O 1911 H2O H1 3 0.423800 1.0079 0 - 7749 H2O 1911 H2O H2 3 0.423800 1.0079 0 - 7750 H2O 1912 H2O O1 4 -0.847600 15.9994 0 - 7751 H2O 1912 H2O H1 3 0.423800 1.0079 0 - 7752 H2O 1912 H2O H2 3 0.423800 1.0079 0 - 7753 H2O 1913 H2O O1 4 -0.847600 15.9994 0 - 7754 H2O 1913 H2O H1 3 0.423800 1.0079 0 - 7755 H2O 1913 H2O H2 3 0.423800 1.0079 0 - 7756 H2O 1914 H2O O1 4 -0.847600 15.9994 0 - 7757 H2O 1914 H2O H1 3 0.423800 1.0079 0 - 7758 H2O 1914 H2O H2 3 0.423800 1.0079 0 - 7759 H2O 1915 H2O O1 4 -0.847600 15.9994 0 - 7760 H2O 1915 H2O H1 3 0.423800 1.0079 0 - 7761 H2O 1915 H2O H2 3 0.423800 1.0079 0 - 7762 H2O 1916 H2O O1 4 -0.847600 15.9994 0 - 7763 H2O 1916 H2O H1 3 0.423800 1.0079 0 - 7764 H2O 1916 H2O H2 3 0.423800 1.0079 0 - 7765 H2O 1917 H2O O1 4 -0.847600 15.9994 0 - 7766 H2O 1917 H2O H1 3 0.423800 1.0079 0 - 7767 H2O 1917 H2O H2 3 0.423800 1.0079 0 - 7768 H2O 1918 H2O O1 4 -0.847600 15.9994 0 - 7769 H2O 1918 H2O H1 3 0.423800 1.0079 0 - 7770 H2O 1918 H2O H2 3 0.423800 1.0079 0 - 7771 H2O 1919 H2O O1 4 -0.847600 15.9994 0 - 7772 H2O 1919 H2O H1 3 0.423800 1.0079 0 - 7773 H2O 1919 H2O H2 3 0.423800 1.0079 0 - 7774 H2O 1920 H2O O1 4 -0.847600 15.9994 0 - 7775 H2O 1920 H2O H1 3 0.423800 1.0079 0 - 7776 H2O 1920 H2O H2 3 0.423800 1.0079 0 - 7777 H2O 1921 H2O O1 4 -0.847600 15.9994 0 - 7778 H2O 1921 H2O H1 3 0.423800 1.0079 0 - 7779 H2O 1921 H2O H2 3 0.423800 1.0079 0 - 7780 H2O 1922 H2O O1 4 -0.847600 15.9994 0 - 7781 H2O 1922 H2O H1 3 0.423800 1.0079 0 - 7782 H2O 1922 H2O H2 3 0.423800 1.0079 0 - 7783 H2O 1923 H2O O1 4 -0.847600 15.9994 0 - 7784 H2O 1923 H2O H1 3 0.423800 1.0079 0 - 7785 H2O 1923 H2O H2 3 0.423800 1.0079 0 - 7786 H2O 1924 H2O O1 4 -0.847600 15.9994 0 - 7787 H2O 1924 H2O H1 3 0.423800 1.0079 0 - 7788 H2O 1924 H2O H2 3 0.423800 1.0079 0 - 7789 H2O 1925 H2O O1 4 -0.847600 15.9994 0 - 7790 H2O 1925 H2O H1 3 0.423800 1.0079 0 - 7791 H2O 1925 H2O H2 3 0.423800 1.0079 0 - 7792 H2O 1926 H2O O1 4 -0.847600 15.9994 0 - 7793 H2O 1926 H2O H1 3 0.423800 1.0079 0 - 7794 H2O 1926 H2O H2 3 0.423800 1.0079 0 - 7795 H2O 1927 H2O O1 4 -0.847600 15.9994 0 - 7796 H2O 1927 H2O H1 3 0.423800 1.0079 0 - 7797 H2O 1927 H2O H2 3 0.423800 1.0079 0 - 7798 H2O 1928 H2O O1 4 -0.847600 15.9994 0 - 7799 H2O 1928 H2O H1 3 0.423800 1.0079 0 - 7800 H2O 1928 H2O H2 3 0.423800 1.0079 0 - 7801 H2O 1929 H2O O1 4 -0.847600 15.9994 0 - 7802 H2O 1929 H2O H1 3 0.423800 1.0079 0 - 7803 H2O 1929 H2O H2 3 0.423800 1.0079 0 - 7804 H2O 1930 H2O O1 4 -0.847600 15.9994 0 - 7805 H2O 1930 H2O H1 3 0.423800 1.0079 0 - 7806 H2O 1930 H2O H2 3 0.423800 1.0079 0 - 7807 H2O 1931 H2O O1 4 -0.847600 15.9994 0 - 7808 H2O 1931 H2O H1 3 0.423800 1.0079 0 - 7809 H2O 1931 H2O H2 3 0.423800 1.0079 0 - 7810 H2O 1932 H2O O1 4 -0.847600 15.9994 0 - 7811 H2O 1932 H2O H1 3 0.423800 1.0079 0 - 7812 H2O 1932 H2O H2 3 0.423800 1.0079 0 - 7813 H2O 1933 H2O O1 4 -0.847600 15.9994 0 - 7814 H2O 1933 H2O H1 3 0.423800 1.0079 0 - 7815 H2O 1933 H2O H2 3 0.423800 1.0079 0 - 7816 H2O 1934 H2O O1 4 -0.847600 15.9994 0 - 7817 H2O 1934 H2O H1 3 0.423800 1.0079 0 - 7818 H2O 1934 H2O H2 3 0.423800 1.0079 0 - 7819 H2O 1935 H2O O1 4 -0.847600 15.9994 0 - 7820 H2O 1935 H2O H1 3 0.423800 1.0079 0 - 7821 H2O 1935 H2O H2 3 0.423800 1.0079 0 - 7822 H2O 1936 H2O O1 4 -0.847600 15.9994 0 - 7823 H2O 1936 H2O H1 3 0.423800 1.0079 0 - 7824 H2O 1936 H2O H2 3 0.423800 1.0079 0 - 7825 H2O 1937 H2O O1 4 -0.847600 15.9994 0 - 7826 H2O 1937 H2O H1 3 0.423800 1.0079 0 - 7827 H2O 1937 H2O H2 3 0.423800 1.0079 0 - 7828 H2O 1938 H2O O1 4 -0.847600 15.9994 0 - 7829 H2O 1938 H2O H1 3 0.423800 1.0079 0 - 7830 H2O 1938 H2O H2 3 0.423800 1.0079 0 - 7831 H2O 1939 H2O O1 4 -0.847600 15.9994 0 - 7832 H2O 1939 H2O H1 3 0.423800 1.0079 0 - 7833 H2O 1939 H2O H2 3 0.423800 1.0079 0 - 7834 H2O 1940 H2O O1 4 -0.847600 15.9994 0 - 7835 H2O 1940 H2O H1 3 0.423800 1.0079 0 - 7836 H2O 1940 H2O H2 3 0.423800 1.0079 0 - 7837 H2O 1941 H2O O1 4 -0.847600 15.9994 0 - 7838 H2O 1941 H2O H1 3 0.423800 1.0079 0 - 7839 H2O 1941 H2O H2 3 0.423800 1.0079 0 - 7840 H2O 1942 H2O O1 4 -0.847600 15.9994 0 - 7841 H2O 1942 H2O H1 3 0.423800 1.0079 0 - 7842 H2O 1942 H2O H2 3 0.423800 1.0079 0 - 7843 H2O 1943 H2O O1 4 -0.847600 15.9994 0 - 7844 H2O 1943 H2O H1 3 0.423800 1.0079 0 - 7845 H2O 1943 H2O H2 3 0.423800 1.0079 0 - 7846 H2O 1944 H2O O1 4 -0.847600 15.9994 0 - 7847 H2O 1944 H2O H1 3 0.423800 1.0079 0 - 7848 H2O 1944 H2O H2 3 0.423800 1.0079 0 - 7849 H2O 1945 H2O O1 4 -0.847600 15.9994 0 - 7850 H2O 1945 H2O H1 3 0.423800 1.0079 0 - 7851 H2O 1945 H2O H2 3 0.423800 1.0079 0 - 7852 H2O 1946 H2O O1 4 -0.847600 15.9994 0 - 7853 H2O 1946 H2O H1 3 0.423800 1.0079 0 - 7854 H2O 1946 H2O H2 3 0.423800 1.0079 0 - 7855 H2O 1947 H2O O1 4 -0.847600 15.9994 0 - 7856 H2O 1947 H2O H1 3 0.423800 1.0079 0 - 7857 H2O 1947 H2O H2 3 0.423800 1.0079 0 - 7858 H2O 1948 H2O O1 4 -0.847600 15.9994 0 - 7859 H2O 1948 H2O H1 3 0.423800 1.0079 0 - 7860 H2O 1948 H2O H2 3 0.423800 1.0079 0 - 7861 H2O 1949 H2O O1 4 -0.847600 15.9994 0 - 7862 H2O 1949 H2O H1 3 0.423800 1.0079 0 - 7863 H2O 1949 H2O H2 3 0.423800 1.0079 0 - 7864 H2O 1950 H2O O1 4 -0.847600 15.9994 0 - 7865 H2O 1950 H2O H1 3 0.423800 1.0079 0 - 7866 H2O 1950 H2O H2 3 0.423800 1.0079 0 - 7867 H2O 1951 H2O O1 4 -0.847600 15.9994 0 - 7868 H2O 1951 H2O H1 3 0.423800 1.0079 0 - 7869 H2O 1951 H2O H2 3 0.423800 1.0079 0 - 7870 H2O 1952 H2O O1 4 -0.847600 15.9994 0 - 7871 H2O 1952 H2O H1 3 0.423800 1.0079 0 - 7872 H2O 1952 H2O H2 3 0.423800 1.0079 0 - 7873 H2O 1953 H2O O1 4 -0.847600 15.9994 0 - 7874 H2O 1953 H2O H1 3 0.423800 1.0079 0 - 7875 H2O 1953 H2O H2 3 0.423800 1.0079 0 - 7876 H2O 1954 H2O O1 4 -0.847600 15.9994 0 - 7877 H2O 1954 H2O H1 3 0.423800 1.0079 0 - 7878 H2O 1954 H2O H2 3 0.423800 1.0079 0 - 7879 H2O 1955 H2O O1 4 -0.847600 15.9994 0 - 7880 H2O 1955 H2O H1 3 0.423800 1.0079 0 - 7881 H2O 1955 H2O H2 3 0.423800 1.0079 0 - 7882 H2O 1956 H2O O1 4 -0.847600 15.9994 0 - 7883 H2O 1956 H2O H1 3 0.423800 1.0079 0 - 7884 H2O 1956 H2O H2 3 0.423800 1.0079 0 - 7885 H2O 1957 H2O O1 4 -0.847600 15.9994 0 - 7886 H2O 1957 H2O H1 3 0.423800 1.0079 0 - 7887 H2O 1957 H2O H2 3 0.423800 1.0079 0 - 7888 H2O 1958 H2O O1 4 -0.847600 15.9994 0 - 7889 H2O 1958 H2O H1 3 0.423800 1.0079 0 - 7890 H2O 1958 H2O H2 3 0.423800 1.0079 0 - 7891 H2O 1959 H2O O1 4 -0.847600 15.9994 0 - 7892 H2O 1959 H2O H1 3 0.423800 1.0079 0 - 7893 H2O 1959 H2O H2 3 0.423800 1.0079 0 - 7894 H2O 1960 H2O O1 4 -0.847600 15.9994 0 - 7895 H2O 1960 H2O H1 3 0.423800 1.0079 0 - 7896 H2O 1960 H2O H2 3 0.423800 1.0079 0 - 7897 H2O 1961 H2O O1 4 -0.847600 15.9994 0 - 7898 H2O 1961 H2O H1 3 0.423800 1.0079 0 - 7899 H2O 1961 H2O H2 3 0.423800 1.0079 0 - 7900 H2O 1962 H2O O1 4 -0.847600 15.9994 0 - 7901 H2O 1962 H2O H1 3 0.423800 1.0079 0 - 7902 H2O 1962 H2O H2 3 0.423800 1.0079 0 - 7903 H2O 1963 H2O O1 4 -0.847600 15.9994 0 - 7904 H2O 1963 H2O H1 3 0.423800 1.0079 0 - 7905 H2O 1963 H2O H2 3 0.423800 1.0079 0 - 7906 H2O 1964 H2O O1 4 -0.847600 15.9994 0 - 7907 H2O 1964 H2O H1 3 0.423800 1.0079 0 - 7908 H2O 1964 H2O H2 3 0.423800 1.0079 0 - 7909 H2O 1965 H2O O1 4 -0.847600 15.9994 0 - 7910 H2O 1965 H2O H1 3 0.423800 1.0079 0 - 7911 H2O 1965 H2O H2 3 0.423800 1.0079 0 - 7912 H2O 1966 H2O O1 4 -0.847600 15.9994 0 - 7913 H2O 1966 H2O H1 3 0.423800 1.0079 0 - 7914 H2O 1966 H2O H2 3 0.423800 1.0079 0 - 7915 H2O 1967 H2O O1 4 -0.847600 15.9994 0 - 7916 H2O 1967 H2O H1 3 0.423800 1.0079 0 - 7917 H2O 1967 H2O H2 3 0.423800 1.0079 0 - 7918 H2O 1968 H2O O1 4 -0.847600 15.9994 0 - 7919 H2O 1968 H2O H1 3 0.423800 1.0079 0 - 7920 H2O 1968 H2O H2 3 0.423800 1.0079 0 - 7921 H2O 1969 H2O O1 4 -0.847600 15.9994 0 - 7922 H2O 1969 H2O H1 3 0.423800 1.0079 0 - 7923 H2O 1969 H2O H2 3 0.423800 1.0079 0 - 7924 H2O 1970 H2O O1 4 -0.847600 15.9994 0 - 7925 H2O 1970 H2O H1 3 0.423800 1.0079 0 - 7926 H2O 1970 H2O H2 3 0.423800 1.0079 0 - 7927 H2O 1971 H2O O1 4 -0.847600 15.9994 0 - 7928 H2O 1971 H2O H1 3 0.423800 1.0079 0 - 7929 H2O 1971 H2O H2 3 0.423800 1.0079 0 - 7930 H2O 1972 H2O O1 4 -0.847600 15.9994 0 - 7931 H2O 1972 H2O H1 3 0.423800 1.0079 0 - 7932 H2O 1972 H2O H2 3 0.423800 1.0079 0 - 7933 H2O 1973 H2O O1 4 -0.847600 15.9994 0 - 7934 H2O 1973 H2O H1 3 0.423800 1.0079 0 - 7935 H2O 1973 H2O H2 3 0.423800 1.0079 0 - 7936 H2O 1974 H2O O1 4 -0.847600 15.9994 0 - 7937 H2O 1974 H2O H1 3 0.423800 1.0079 0 - 7938 H2O 1974 H2O H2 3 0.423800 1.0079 0 - 7939 H2O 1975 H2O O1 4 -0.847600 15.9994 0 - 7940 H2O 1975 H2O H1 3 0.423800 1.0079 0 - 7941 H2O 1975 H2O H2 3 0.423800 1.0079 0 - 7942 H2O 1976 H2O O1 4 -0.847600 15.9994 0 - 7943 H2O 1976 H2O H1 3 0.423800 1.0079 0 - 7944 H2O 1976 H2O H2 3 0.423800 1.0079 0 - 7945 H2O 1977 H2O O1 4 -0.847600 15.9994 0 - 7946 H2O 1977 H2O H1 3 0.423800 1.0079 0 - 7947 H2O 1977 H2O H2 3 0.423800 1.0079 0 - 7948 H2O 1978 H2O O1 4 -0.847600 15.9994 0 - 7949 H2O 1978 H2O H1 3 0.423800 1.0079 0 - 7950 H2O 1978 H2O H2 3 0.423800 1.0079 0 - 7951 H2O 1979 H2O O1 4 -0.847600 15.9994 0 - 7952 H2O 1979 H2O H1 3 0.423800 1.0079 0 - 7953 H2O 1979 H2O H2 3 0.423800 1.0079 0 - 7954 H2O 1980 H2O O1 4 -0.847600 15.9994 0 - 7955 H2O 1980 H2O H1 3 0.423800 1.0079 0 - 7956 H2O 1980 H2O H2 3 0.423800 1.0079 0 - 7957 H2O 1981 H2O O1 4 -0.847600 15.9994 0 - 7958 H2O 1981 H2O H1 3 0.423800 1.0079 0 - 7959 H2O 1981 H2O H2 3 0.423800 1.0079 0 - 7960 H2O 1982 H2O O1 4 -0.847600 15.9994 0 - 7961 H2O 1982 H2O H1 3 0.423800 1.0079 0 - 7962 H2O 1982 H2O H2 3 0.423800 1.0079 0 - 7963 H2O 1983 H2O O1 4 -0.847600 15.9994 0 - 7964 H2O 1983 H2O H1 3 0.423800 1.0079 0 - 7965 H2O 1983 H2O H2 3 0.423800 1.0079 0 - 7966 H2O 1984 H2O O1 4 -0.847600 15.9994 0 - 7967 H2O 1984 H2O H1 3 0.423800 1.0079 0 - 7968 H2O 1984 H2O H2 3 0.423800 1.0079 0 - 7969 H2O 1985 H2O O1 4 -0.847600 15.9994 0 - 7970 H2O 1985 H2O H1 3 0.423800 1.0079 0 - 7971 H2O 1985 H2O H2 3 0.423800 1.0079 0 - 7972 H2O 1986 H2O O1 4 -0.847600 15.9994 0 - 7973 H2O 1986 H2O H1 3 0.423800 1.0079 0 - 7974 H2O 1986 H2O H2 3 0.423800 1.0079 0 - 7975 H2O 1987 H2O O1 4 -0.847600 15.9994 0 - 7976 H2O 1987 H2O H1 3 0.423800 1.0079 0 - 7977 H2O 1987 H2O H2 3 0.423800 1.0079 0 - 7978 H2O 1988 H2O O1 4 -0.847600 15.9994 0 - 7979 H2O 1988 H2O H1 3 0.423800 1.0079 0 - 7980 H2O 1988 H2O H2 3 0.423800 1.0079 0 - 7981 H2O 1989 H2O O1 4 -0.847600 15.9994 0 - 7982 H2O 1989 H2O H1 3 0.423800 1.0079 0 - 7983 H2O 1989 H2O H2 3 0.423800 1.0079 0 - 7984 H2O 1990 H2O O1 4 -0.847600 15.9994 0 - 7985 H2O 1990 H2O H1 3 0.423800 1.0079 0 - 7986 H2O 1990 H2O H2 3 0.423800 1.0079 0 - 7987 H2O 1991 H2O O1 4 -0.847600 15.9994 0 - 7988 H2O 1991 H2O H1 3 0.423800 1.0079 0 - 7989 H2O 1991 H2O H2 3 0.423800 1.0079 0 - 7990 H2O 1992 H2O O1 4 -0.847600 15.9994 0 - 7991 H2O 1992 H2O H1 3 0.423800 1.0079 0 - 7992 H2O 1992 H2O H2 3 0.423800 1.0079 0 - 7993 H2O 1993 H2O O1 4 -0.847600 15.9994 0 - 7994 H2O 1993 H2O H1 3 0.423800 1.0079 0 - 7995 H2O 1993 H2O H2 3 0.423800 1.0079 0 - 7996 H2O 1994 H2O O1 4 -0.847600 15.9994 0 - 7997 H2O 1994 H2O H1 3 0.423800 1.0079 0 - 7998 H2O 1994 H2O H2 3 0.423800 1.0079 0 - 7999 H2O 1995 H2O O1 4 -0.847600 15.9994 0 - 8000 H2O 1995 H2O H1 3 0.423800 1.0079 0 - 8001 H2O 1995 H2O H2 3 0.423800 1.0079 0 - 8002 H2O 1996 H2O O1 4 -0.847600 15.9994 0 - 8003 H2O 1996 H2O H1 3 0.423800 1.0079 0 - 8004 H2O 1996 H2O H2 3 0.423800 1.0079 0 - 8005 H2O 1997 H2O O1 4 -0.847600 15.9994 0 - 8006 H2O 1997 H2O H1 3 0.423800 1.0079 0 - 8007 H2O 1997 H2O H2 3 0.423800 1.0079 0 - 8008 H2O 1998 H2O O1 4 -0.847600 15.9994 0 - 8009 H2O 1998 H2O H1 3 0.423800 1.0079 0 - 8010 H2O 1998 H2O H2 3 0.423800 1.0079 0 - 8011 H2O 1999 H2O O1 4 -0.847600 15.9994 0 - 8012 H2O 1999 H2O H1 3 0.423800 1.0079 0 - 8013 H2O 1999 H2O H2 3 0.423800 1.0079 0 - 8014 H2O 2000 H2O O1 4 -0.847600 15.9994 0 - 8015 H2O 2000 H2O H1 3 0.423800 1.0079 0 - 8016 H2O 2000 H2O H2 3 0.423800 1.0079 0 - 8017 H2O 2001 H2O O1 4 -0.847600 15.9994 0 - 8018 H2O 2001 H2O H1 3 0.423800 1.0079 0 - 8019 H2O 2001 H2O H2 3 0.423800 1.0079 0 - 8020 H2O 2002 H2O O1 4 -0.847600 15.9994 0 - 8021 H2O 2002 H2O H1 3 0.423800 1.0079 0 - 8022 H2O 2002 H2O H2 3 0.423800 1.0079 0 - 8023 H2O 2003 H2O O1 4 -0.847600 15.9994 0 - 8024 H2O 2003 H2O H1 3 0.423800 1.0079 0 - 8025 H2O 2003 H2O H2 3 0.423800 1.0079 0 - 8026 H2O 2004 H2O O1 4 -0.847600 15.9994 0 - 8027 H2O 2004 H2O H1 3 0.423800 1.0079 0 - 8028 H2O 2004 H2O H2 3 0.423800 1.0079 0 - 8029 H2O 2005 H2O O1 4 -0.847600 15.9994 0 - 8030 H2O 2005 H2O H1 3 0.423800 1.0079 0 - 8031 H2O 2005 H2O H2 3 0.423800 1.0079 0 - 8032 H2O 2006 H2O O1 4 -0.847600 15.9994 0 - 8033 H2O 2006 H2O H1 3 0.423800 1.0079 0 - 8034 H2O 2006 H2O H2 3 0.423800 1.0079 0 - 8035 H2O 2007 H2O O1 4 -0.847600 15.9994 0 - 8036 H2O 2007 H2O H1 3 0.423800 1.0079 0 - 8037 H2O 2007 H2O H2 3 0.423800 1.0079 0 - 8038 H2O 2008 H2O O1 4 -0.847600 15.9994 0 - 8039 H2O 2008 H2O H1 3 0.423800 1.0079 0 - 8040 H2O 2008 H2O H2 3 0.423800 1.0079 0 - 8041 H2O 2009 H2O O1 4 -0.847600 15.9994 0 - 8042 H2O 2009 H2O H1 3 0.423800 1.0079 0 - 8043 H2O 2009 H2O H2 3 0.423800 1.0079 0 - 8044 H2O 2010 H2O O1 4 -0.847600 15.9994 0 - 8045 H2O 2010 H2O H1 3 0.423800 1.0079 0 - 8046 H2O 2010 H2O H2 3 0.423800 1.0079 0 - 8047 H2O 2011 H2O O1 4 -0.847600 15.9994 0 - 8048 H2O 2011 H2O H1 3 0.423800 1.0079 0 - 8049 H2O 2011 H2O H2 3 0.423800 1.0079 0 - 8050 H2O 2012 H2O O1 4 -0.847600 15.9994 0 - 8051 H2O 2012 H2O H1 3 0.423800 1.0079 0 - 8052 H2O 2012 H2O H2 3 0.423800 1.0079 0 - 8053 H2O 2013 H2O O1 4 -0.847600 15.9994 0 - 8054 H2O 2013 H2O H1 3 0.423800 1.0079 0 - 8055 H2O 2013 H2O H2 3 0.423800 1.0079 0 - 8056 H2O 2014 H2O O1 4 -0.847600 15.9994 0 - 8057 H2O 2014 H2O H1 3 0.423800 1.0079 0 - 8058 H2O 2014 H2O H2 3 0.423800 1.0079 0 - 8059 H2O 2015 H2O O1 4 -0.847600 15.9994 0 - 8060 H2O 2015 H2O H1 3 0.423800 1.0079 0 - 8061 H2O 2015 H2O H2 3 0.423800 1.0079 0 - 8062 H2O 2016 H2O O1 4 -0.847600 15.9994 0 - 8063 H2O 2016 H2O H1 3 0.423800 1.0079 0 - 8064 H2O 2016 H2O H2 3 0.423800 1.0079 0 - 8065 H2O 2017 H2O O1 4 -0.847600 15.9994 0 - 8066 H2O 2017 H2O H1 3 0.423800 1.0079 0 - 8067 H2O 2017 H2O H2 3 0.423800 1.0079 0 - 8068 H2O 2018 H2O O1 4 -0.847600 15.9994 0 - 8069 H2O 2018 H2O H1 3 0.423800 1.0079 0 - 8070 H2O 2018 H2O H2 3 0.423800 1.0079 0 - 8071 H2O 2019 H2O O1 4 -0.847600 15.9994 0 - 8072 H2O 2019 H2O H1 3 0.423800 1.0079 0 - 8073 H2O 2019 H2O H2 3 0.423800 1.0079 0 - 8074 H2O 2020 H2O O1 4 -0.847600 15.9994 0 - 8075 H2O 2020 H2O H1 3 0.423800 1.0079 0 - 8076 H2O 2020 H2O H2 3 0.423800 1.0079 0 - 8077 H2O 2021 H2O O1 4 -0.847600 15.9994 0 - 8078 H2O 2021 H2O H1 3 0.423800 1.0079 0 - 8079 H2O 2021 H2O H2 3 0.423800 1.0079 0 - 8080 H2O 2022 H2O O1 4 -0.847600 15.9994 0 - 8081 H2O 2022 H2O H1 3 0.423800 1.0079 0 - 8082 H2O 2022 H2O H2 3 0.423800 1.0079 0 - 8083 H2O 2023 H2O O1 4 -0.847600 15.9994 0 - 8084 H2O 2023 H2O H1 3 0.423800 1.0079 0 - 8085 H2O 2023 H2O H2 3 0.423800 1.0079 0 - 8086 H2O 2024 H2O O1 4 -0.847600 15.9994 0 - 8087 H2O 2024 H2O H1 3 0.423800 1.0079 0 - 8088 H2O 2024 H2O H2 3 0.423800 1.0079 0 - 8089 H2O 2025 H2O O1 4 -0.847600 15.9994 0 - 8090 H2O 2025 H2O H1 3 0.423800 1.0079 0 - 8091 H2O 2025 H2O H2 3 0.423800 1.0079 0 - 8092 H2O 2026 H2O O1 4 -0.847600 15.9994 0 - 8093 H2O 2026 H2O H1 3 0.423800 1.0079 0 - 8094 H2O 2026 H2O H2 3 0.423800 1.0079 0 - 8095 H2O 2027 H2O O1 4 -0.847600 15.9994 0 - 8096 H2O 2027 H2O H1 3 0.423800 1.0079 0 - 8097 H2O 2027 H2O H2 3 0.423800 1.0079 0 - 8098 H2O 2028 H2O O1 4 -0.847600 15.9994 0 - 8099 H2O 2028 H2O H1 3 0.423800 1.0079 0 - 8100 H2O 2028 H2O H2 3 0.423800 1.0079 0 - 8101 H2O 2029 H2O O1 4 -0.847600 15.9994 0 - 8102 H2O 2029 H2O H1 3 0.423800 1.0079 0 - 8103 H2O 2029 H2O H2 3 0.423800 1.0079 0 - 8104 H2O 2030 H2O O1 4 -0.847600 15.9994 0 - 8105 H2O 2030 H2O H1 3 0.423800 1.0079 0 - 8106 H2O 2030 H2O H2 3 0.423800 1.0079 0 - 8107 H2O 2031 H2O O1 4 -0.847600 15.9994 0 - 8108 H2O 2031 H2O H1 3 0.423800 1.0079 0 - 8109 H2O 2031 H2O H2 3 0.423800 1.0079 0 - 8110 H2O 2032 H2O O1 4 -0.847600 15.9994 0 - 8111 H2O 2032 H2O H1 3 0.423800 1.0079 0 - 8112 H2O 2032 H2O H2 3 0.423800 1.0079 0 - 8113 H2O 2033 H2O O1 4 -0.847600 15.9994 0 - 8114 H2O 2033 H2O H1 3 0.423800 1.0079 0 - 8115 H2O 2033 H2O H2 3 0.423800 1.0079 0 - 8116 H2O 2034 H2O O1 4 -0.847600 15.9994 0 - 8117 H2O 2034 H2O H1 3 0.423800 1.0079 0 - 8118 H2O 2034 H2O H2 3 0.423800 1.0079 0 - 8119 H2O 2035 H2O O1 4 -0.847600 15.9994 0 - 8120 H2O 2035 H2O H1 3 0.423800 1.0079 0 - 8121 H2O 2035 H2O H2 3 0.423800 1.0079 0 - 8122 H2O 2036 H2O O1 4 -0.847600 15.9994 0 - 8123 H2O 2036 H2O H1 3 0.423800 1.0079 0 - 8124 H2O 2036 H2O H2 3 0.423800 1.0079 0 - 8125 H2O 2037 H2O O1 4 -0.847600 15.9994 0 - 8126 H2O 2037 H2O H1 3 0.423800 1.0079 0 - 8127 H2O 2037 H2O H2 3 0.423800 1.0079 0 - 8128 H2O 2038 H2O O1 4 -0.847600 15.9994 0 - 8129 H2O 2038 H2O H1 3 0.423800 1.0079 0 - 8130 H2O 2038 H2O H2 3 0.423800 1.0079 0 - 8131 H2O 2039 H2O O1 4 -0.847600 15.9994 0 - 8132 H2O 2039 H2O H1 3 0.423800 1.0079 0 - 8133 H2O 2039 H2O H2 3 0.423800 1.0079 0 - 8134 H2O 2040 H2O O1 4 -0.847600 15.9994 0 - 8135 H2O 2040 H2O H1 3 0.423800 1.0079 0 - 8136 H2O 2040 H2O H2 3 0.423800 1.0079 0 - 8137 H2O 2041 H2O O1 4 -0.847600 15.9994 0 - 8138 H2O 2041 H2O H1 3 0.423800 1.0079 0 - 8139 H2O 2041 H2O H2 3 0.423800 1.0079 0 - 8140 H2O 2042 H2O O1 4 -0.847600 15.9994 0 - 8141 H2O 2042 H2O H1 3 0.423800 1.0079 0 - 8142 H2O 2042 H2O H2 3 0.423800 1.0079 0 - 8143 H2O 2043 H2O O1 4 -0.847600 15.9994 0 - 8144 H2O 2043 H2O H1 3 0.423800 1.0079 0 - 8145 H2O 2043 H2O H2 3 0.423800 1.0079 0 - 8146 H2O 2044 H2O O1 4 -0.847600 15.9994 0 - 8147 H2O 2044 H2O H1 3 0.423800 1.0079 0 - 8148 H2O 2044 H2O H2 3 0.423800 1.0079 0 - 8149 H2O 2045 H2O O1 4 -0.847600 15.9994 0 - 8150 H2O 2045 H2O H1 3 0.423800 1.0079 0 - 8151 H2O 2045 H2O H2 3 0.423800 1.0079 0 - 8152 H2O 2046 H2O O1 4 -0.847600 15.9994 0 - 8153 H2O 2046 H2O H1 3 0.423800 1.0079 0 - 8154 H2O 2046 H2O H2 3 0.423800 1.0079 0 - 8155 H2O 2047 H2O O1 4 -0.847600 15.9994 0 - 8156 H2O 2047 H2O H1 3 0.423800 1.0079 0 - 8157 H2O 2047 H2O H2 3 0.423800 1.0079 0 - 8158 H2O 2048 H2O O1 4 -0.847600 15.9994 0 - 8159 H2O 2048 H2O H1 3 0.423800 1.0079 0 - 8160 H2O 2048 H2O H2 3 0.423800 1.0079 0 - 8161 H2O 2049 H2O O1 4 -0.847600 15.9994 0 - 8162 H2O 2049 H2O H1 3 0.423800 1.0079 0 - 8163 H2O 2049 H2O H2 3 0.423800 1.0079 0 - 8164 H2O 2050 H2O O1 4 -0.847600 15.9994 0 - 8165 H2O 2050 H2O H1 3 0.423800 1.0079 0 - 8166 H2O 2050 H2O H2 3 0.423800 1.0079 0 - 8167 H2O 2051 H2O O1 4 -0.847600 15.9994 0 - 8168 H2O 2051 H2O H1 3 0.423800 1.0079 0 - 8169 H2O 2051 H2O H2 3 0.423800 1.0079 0 - 8170 H2O 2052 H2O O1 4 -0.847600 15.9994 0 - 8171 H2O 2052 H2O H1 3 0.423800 1.0079 0 - 8172 H2O 2052 H2O H2 3 0.423800 1.0079 0 - 8173 H2O 2053 H2O O1 4 -0.847600 15.9994 0 - 8174 H2O 2053 H2O H1 3 0.423800 1.0079 0 - 8175 H2O 2053 H2O H2 3 0.423800 1.0079 0 - 8176 H2O 2054 H2O O1 4 -0.847600 15.9994 0 - 8177 H2O 2054 H2O H1 3 0.423800 1.0079 0 - 8178 H2O 2054 H2O H2 3 0.423800 1.0079 0 - 8179 H2O 2055 H2O O1 4 -0.847600 15.9994 0 - 8180 H2O 2055 H2O H1 3 0.423800 1.0079 0 - 8181 H2O 2055 H2O H2 3 0.423800 1.0079 0 - 8182 H2O 2056 H2O O1 4 -0.847600 15.9994 0 - 8183 H2O 2056 H2O H1 3 0.423800 1.0079 0 - 8184 H2O 2056 H2O H2 3 0.423800 1.0079 0 - 8185 H2O 2057 H2O O1 4 -0.847600 15.9994 0 - 8186 H2O 2057 H2O H1 3 0.423800 1.0079 0 - 8187 H2O 2057 H2O H2 3 0.423800 1.0079 0 - 8188 H2O 2058 H2O O1 4 -0.847600 15.9994 0 - 8189 H2O 2058 H2O H1 3 0.423800 1.0079 0 - 8190 H2O 2058 H2O H2 3 0.423800 1.0079 0 - 8191 H2O 2059 H2O O1 4 -0.847600 15.9994 0 - 8192 H2O 2059 H2O H1 3 0.423800 1.0079 0 - 8193 H2O 2059 H2O H2 3 0.423800 1.0079 0 - 8194 H2O 2060 H2O O1 4 -0.847600 15.9994 0 - 8195 H2O 2060 H2O H1 3 0.423800 1.0079 0 - 8196 H2O 2060 H2O H2 3 0.423800 1.0079 0 - 8197 H2O 2061 H2O O1 4 -0.847600 15.9994 0 - 8198 H2O 2061 H2O H1 3 0.423800 1.0079 0 - 8199 H2O 2061 H2O H2 3 0.423800 1.0079 0 - 8200 H2O 2062 H2O O1 4 -0.847600 15.9994 0 - 8201 H2O 2062 H2O H1 3 0.423800 1.0079 0 - 8202 H2O 2062 H2O H2 3 0.423800 1.0079 0 - 8203 H2O 2063 H2O O1 4 -0.847600 15.9994 0 - 8204 H2O 2063 H2O H1 3 0.423800 1.0079 0 - 8205 H2O 2063 H2O H2 3 0.423800 1.0079 0 - 8206 H2O 2064 H2O O1 4 -0.847600 15.9994 0 - 8207 H2O 2064 H2O H1 3 0.423800 1.0079 0 - 8208 H2O 2064 H2O H2 3 0.423800 1.0079 0 - 8209 H2O 2065 H2O O1 4 -0.847600 15.9994 0 - 8210 H2O 2065 H2O H1 3 0.423800 1.0079 0 - 8211 H2O 2065 H2O H2 3 0.423800 1.0079 0 - 8212 H2O 2066 H2O O1 4 -0.847600 15.9994 0 - 8213 H2O 2066 H2O H1 3 0.423800 1.0079 0 - 8214 H2O 2066 H2O H2 3 0.423800 1.0079 0 - 8215 H2O 2067 H2O O1 4 -0.847600 15.9994 0 - 8216 H2O 2067 H2O H1 3 0.423800 1.0079 0 - 8217 H2O 2067 H2O H2 3 0.423800 1.0079 0 - 8218 H2O 2068 H2O O1 4 -0.847600 15.9994 0 - 8219 H2O 2068 H2O H1 3 0.423800 1.0079 0 - 8220 H2O 2068 H2O H2 3 0.423800 1.0079 0 - 8221 H2O 2069 H2O O1 4 -0.847600 15.9994 0 - 8222 H2O 2069 H2O H1 3 0.423800 1.0079 0 - 8223 H2O 2069 H2O H2 3 0.423800 1.0079 0 - 8224 H2O 2070 H2O O1 4 -0.847600 15.9994 0 - 8225 H2O 2070 H2O H1 3 0.423800 1.0079 0 - 8226 H2O 2070 H2O H2 3 0.423800 1.0079 0 - 8227 H2O 2071 H2O O1 4 -0.847600 15.9994 0 - 8228 H2O 2071 H2O H1 3 0.423800 1.0079 0 - 8229 H2O 2071 H2O H2 3 0.423800 1.0079 0 - 8230 H2O 2072 H2O O1 4 -0.847600 15.9994 0 - 8231 H2O 2072 H2O H1 3 0.423800 1.0079 0 - 8232 H2O 2072 H2O H2 3 0.423800 1.0079 0 - 8233 H2O 2073 H2O O1 4 -0.847600 15.9994 0 - 8234 H2O 2073 H2O H1 3 0.423800 1.0079 0 - 8235 H2O 2073 H2O H2 3 0.423800 1.0079 0 - 8236 H2O 2074 H2O O1 4 -0.847600 15.9994 0 - 8237 H2O 2074 H2O H1 3 0.423800 1.0079 0 - 8238 H2O 2074 H2O H2 3 0.423800 1.0079 0 - 8239 H2O 2075 H2O O1 4 -0.847600 15.9994 0 - 8240 H2O 2075 H2O H1 3 0.423800 1.0079 0 - 8241 H2O 2075 H2O H2 3 0.423800 1.0079 0 - 8242 H2O 2076 H2O O1 4 -0.847600 15.9994 0 - 8243 H2O 2076 H2O H1 3 0.423800 1.0079 0 - 8244 H2O 2076 H2O H2 3 0.423800 1.0079 0 - 8245 H2O 2077 H2O O1 4 -0.847600 15.9994 0 - 8246 H2O 2077 H2O H1 3 0.423800 1.0079 0 - 8247 H2O 2077 H2O H2 3 0.423800 1.0079 0 - 8248 H2O 2078 H2O O1 4 -0.847600 15.9994 0 - 8249 H2O 2078 H2O H1 3 0.423800 1.0079 0 - 8250 H2O 2078 H2O H2 3 0.423800 1.0079 0 - 8251 H2O 2079 H2O O1 4 -0.847600 15.9994 0 - 8252 H2O 2079 H2O H1 3 0.423800 1.0079 0 - 8253 H2O 2079 H2O H2 3 0.423800 1.0079 0 - 8254 H2O 2080 H2O O1 4 -0.847600 15.9994 0 - 8255 H2O 2080 H2O H1 3 0.423800 1.0079 0 - 8256 H2O 2080 H2O H2 3 0.423800 1.0079 0 - 8257 H2O 2081 H2O O1 4 -0.847600 15.9994 0 - 8258 H2O 2081 H2O H1 3 0.423800 1.0079 0 - 8259 H2O 2081 H2O H2 3 0.423800 1.0079 0 - 8260 H2O 2082 H2O O1 4 -0.847600 15.9994 0 - 8261 H2O 2082 H2O H1 3 0.423800 1.0079 0 - 8262 H2O 2082 H2O H2 3 0.423800 1.0079 0 - 8263 H2O 2083 H2O O1 4 -0.847600 15.9994 0 - 8264 H2O 2083 H2O H1 3 0.423800 1.0079 0 - 8265 H2O 2083 H2O H2 3 0.423800 1.0079 0 - 8266 H2O 2084 H2O O1 4 -0.847600 15.9994 0 - 8267 H2O 2084 H2O H1 3 0.423800 1.0079 0 - 8268 H2O 2084 H2O H2 3 0.423800 1.0079 0 - 8269 H2O 2085 H2O O1 4 -0.847600 15.9994 0 - 8270 H2O 2085 H2O H1 3 0.423800 1.0079 0 - 8271 H2O 2085 H2O H2 3 0.423800 1.0079 0 - 8272 H2O 2086 H2O O1 4 -0.847600 15.9994 0 - 8273 H2O 2086 H2O H1 3 0.423800 1.0079 0 - 8274 H2O 2086 H2O H2 3 0.423800 1.0079 0 - 8275 H2O 2087 H2O O1 4 -0.847600 15.9994 0 - 8276 H2O 2087 H2O H1 3 0.423800 1.0079 0 - 8277 H2O 2087 H2O H2 3 0.423800 1.0079 0 - 8278 H2O 2088 H2O O1 4 -0.847600 15.9994 0 - 8279 H2O 2088 H2O H1 3 0.423800 1.0079 0 - 8280 H2O 2088 H2O H2 3 0.423800 1.0079 0 - 8281 H2O 2089 H2O O1 4 -0.847600 15.9994 0 - 8282 H2O 2089 H2O H1 3 0.423800 1.0079 0 - 8283 H2O 2089 H2O H2 3 0.423800 1.0079 0 - 8284 H2O 2090 H2O O1 4 -0.847600 15.9994 0 - 8285 H2O 2090 H2O H1 3 0.423800 1.0079 0 - 8286 H2O 2090 H2O H2 3 0.423800 1.0079 0 - 8287 H2O 2091 H2O O1 4 -0.847600 15.9994 0 - 8288 H2O 2091 H2O H1 3 0.423800 1.0079 0 - 8289 H2O 2091 H2O H2 3 0.423800 1.0079 0 - 8290 H2O 2092 H2O O1 4 -0.847600 15.9994 0 - 8291 H2O 2092 H2O H1 3 0.423800 1.0079 0 - 8292 H2O 2092 H2O H2 3 0.423800 1.0079 0 - 8293 H2O 2093 H2O O1 4 -0.847600 15.9994 0 - 8294 H2O 2093 H2O H1 3 0.423800 1.0079 0 - 8295 H2O 2093 H2O H2 3 0.423800 1.0079 0 - 8296 H2O 2094 H2O O1 4 -0.847600 15.9994 0 - 8297 H2O 2094 H2O H1 3 0.423800 1.0079 0 - 8298 H2O 2094 H2O H2 3 0.423800 1.0079 0 - 8299 H2O 2095 H2O O1 4 -0.847600 15.9994 0 - 8300 H2O 2095 H2O H1 3 0.423800 1.0079 0 - 8301 H2O 2095 H2O H2 3 0.423800 1.0079 0 - 8302 H2O 2096 H2O O1 4 -0.847600 15.9994 0 - 8303 H2O 2096 H2O H1 3 0.423800 1.0079 0 - 8304 H2O 2096 H2O H2 3 0.423800 1.0079 0 - 8305 H2O 2097 H2O O1 4 -0.847600 15.9994 0 - 8306 H2O 2097 H2O H1 3 0.423800 1.0079 0 - 8307 H2O 2097 H2O H2 3 0.423800 1.0079 0 - 8308 H2O 2098 H2O O1 4 -0.847600 15.9994 0 - 8309 H2O 2098 H2O H1 3 0.423800 1.0079 0 - 8310 H2O 2098 H2O H2 3 0.423800 1.0079 0 - 8311 H2O 2099 H2O O1 4 -0.847600 15.9994 0 - 8312 H2O 2099 H2O H1 3 0.423800 1.0079 0 - 8313 H2O 2099 H2O H2 3 0.423800 1.0079 0 - 8314 H2O 2100 H2O O1 4 -0.847600 15.9994 0 - 8315 H2O 2100 H2O H1 3 0.423800 1.0079 0 - 8316 H2O 2100 H2O H2 3 0.423800 1.0079 0 - 8317 H2O 2101 H2O O1 4 -0.847600 15.9994 0 - 8318 H2O 2101 H2O H1 3 0.423800 1.0079 0 - 8319 H2O 2101 H2O H2 3 0.423800 1.0079 0 - 8320 H2O 2102 H2O O1 4 -0.847600 15.9994 0 - 8321 H2O 2102 H2O H1 3 0.423800 1.0079 0 - 8322 H2O 2102 H2O H2 3 0.423800 1.0079 0 - 8323 H2O 2103 H2O O1 4 -0.847600 15.9994 0 - 8324 H2O 2103 H2O H1 3 0.423800 1.0079 0 - 8325 H2O 2103 H2O H2 3 0.423800 1.0079 0 - 8326 H2O 2104 H2O O1 4 -0.847600 15.9994 0 - 8327 H2O 2104 H2O H1 3 0.423800 1.0079 0 - 8328 H2O 2104 H2O H2 3 0.423800 1.0079 0 - 8329 H2O 2105 H2O O1 4 -0.847600 15.9994 0 - 8330 H2O 2105 H2O H1 3 0.423800 1.0079 0 - 8331 H2O 2105 H2O H2 3 0.423800 1.0079 0 - 8332 H2O 2106 H2O O1 4 -0.847600 15.9994 0 - 8333 H2O 2106 H2O H1 3 0.423800 1.0079 0 - 8334 H2O 2106 H2O H2 3 0.423800 1.0079 0 - 8335 H2O 2107 H2O O1 4 -0.847600 15.9994 0 - 8336 H2O 2107 H2O H1 3 0.423800 1.0079 0 - 8337 H2O 2107 H2O H2 3 0.423800 1.0079 0 - 8338 H2O 2108 H2O O1 4 -0.847600 15.9994 0 - 8339 H2O 2108 H2O H1 3 0.423800 1.0079 0 - 8340 H2O 2108 H2O H2 3 0.423800 1.0079 0 - 8341 H2O 2109 H2O O1 4 -0.847600 15.9994 0 - 8342 H2O 2109 H2O H1 3 0.423800 1.0079 0 - 8343 H2O 2109 H2O H2 3 0.423800 1.0079 0 - 8344 H2O 2110 H2O O1 4 -0.847600 15.9994 0 - 8345 H2O 2110 H2O H1 3 0.423800 1.0079 0 - 8346 H2O 2110 H2O H2 3 0.423800 1.0079 0 - 8347 H2O 2111 H2O O1 4 -0.847600 15.9994 0 - 8348 H2O 2111 H2O H1 3 0.423800 1.0079 0 - 8349 H2O 2111 H2O H2 3 0.423800 1.0079 0 - 8350 H2O 2112 H2O O1 4 -0.847600 15.9994 0 - 8351 H2O 2112 H2O H1 3 0.423800 1.0079 0 - 8352 H2O 2112 H2O H2 3 0.423800 1.0079 0 - 8353 H2O 2113 H2O O1 4 -0.847600 15.9994 0 - 8354 H2O 2113 H2O H1 3 0.423800 1.0079 0 - 8355 H2O 2113 H2O H2 3 0.423800 1.0079 0 - 8356 H2O 2114 H2O O1 4 -0.847600 15.9994 0 - 8357 H2O 2114 H2O H1 3 0.423800 1.0079 0 - 8358 H2O 2114 H2O H2 3 0.423800 1.0079 0 - 8359 H2O 2115 H2O O1 4 -0.847600 15.9994 0 - 8360 H2O 2115 H2O H1 3 0.423800 1.0079 0 - 8361 H2O 2115 H2O H2 3 0.423800 1.0079 0 - 8362 H2O 2116 H2O O1 4 -0.847600 15.9994 0 - 8363 H2O 2116 H2O H1 3 0.423800 1.0079 0 - 8364 H2O 2116 H2O H2 3 0.423800 1.0079 0 - 8365 H2O 2117 H2O O1 4 -0.847600 15.9994 0 - 8366 H2O 2117 H2O H1 3 0.423800 1.0079 0 - 8367 H2O 2117 H2O H2 3 0.423800 1.0079 0 - 8368 H2O 2118 H2O O1 4 -0.847600 15.9994 0 - 8369 H2O 2118 H2O H1 3 0.423800 1.0079 0 - 8370 H2O 2118 H2O H2 3 0.423800 1.0079 0 - 8371 H2O 2119 H2O O1 4 -0.847600 15.9994 0 - 8372 H2O 2119 H2O H1 3 0.423800 1.0079 0 - 8373 H2O 2119 H2O H2 3 0.423800 1.0079 0 - 8374 H2O 2120 H2O O1 4 -0.847600 15.9994 0 - 8375 H2O 2120 H2O H1 3 0.423800 1.0079 0 - 8376 H2O 2120 H2O H2 3 0.423800 1.0079 0 - 8377 H2O 2121 H2O O1 4 -0.847600 15.9994 0 - 8378 H2O 2121 H2O H1 3 0.423800 1.0079 0 - 8379 H2O 2121 H2O H2 3 0.423800 1.0079 0 - 8380 H2O 2122 H2O O1 4 -0.847600 15.9994 0 - 8381 H2O 2122 H2O H1 3 0.423800 1.0079 0 - 8382 H2O 2122 H2O H2 3 0.423800 1.0079 0 - 8383 H2O 2123 H2O O1 4 -0.847600 15.9994 0 - 8384 H2O 2123 H2O H1 3 0.423800 1.0079 0 - 8385 H2O 2123 H2O H2 3 0.423800 1.0079 0 - 8386 H2O 2124 H2O O1 4 -0.847600 15.9994 0 - 8387 H2O 2124 H2O H1 3 0.423800 1.0079 0 - 8388 H2O 2124 H2O H2 3 0.423800 1.0079 0 - 8389 H2O 2125 H2O O1 4 -0.847600 15.9994 0 - 8390 H2O 2125 H2O H1 3 0.423800 1.0079 0 - 8391 H2O 2125 H2O H2 3 0.423800 1.0079 0 - 8392 H2O 2126 H2O O1 4 -0.847600 15.9994 0 - 8393 H2O 2126 H2O H1 3 0.423800 1.0079 0 - 8394 H2O 2126 H2O H2 3 0.423800 1.0079 0 - 8395 H2O 2127 H2O O1 4 -0.847600 15.9994 0 - 8396 H2O 2127 H2O H1 3 0.423800 1.0079 0 - 8397 H2O 2127 H2O H2 3 0.423800 1.0079 0 - 8398 H2O 2128 H2O O1 4 -0.847600 15.9994 0 - 8399 H2O 2128 H2O H1 3 0.423800 1.0079 0 - 8400 H2O 2128 H2O H2 3 0.423800 1.0079 0 - 8401 H2O 2129 H2O O1 4 -0.847600 15.9994 0 - 8402 H2O 2129 H2O H1 3 0.423800 1.0079 0 - 8403 H2O 2129 H2O H2 3 0.423800 1.0079 0 - 8404 H2O 2130 H2O O1 4 -0.847600 15.9994 0 - 8405 H2O 2130 H2O H1 3 0.423800 1.0079 0 - 8406 H2O 2130 H2O H2 3 0.423800 1.0079 0 - 8407 H2O 2131 H2O O1 4 -0.847600 15.9994 0 - 8408 H2O 2131 H2O H1 3 0.423800 1.0079 0 - 8409 H2O 2131 H2O H2 3 0.423800 1.0079 0 - 8410 H2O 2132 H2O O1 4 -0.847600 15.9994 0 - 8411 H2O 2132 H2O H1 3 0.423800 1.0079 0 - 8412 H2O 2132 H2O H2 3 0.423800 1.0079 0 - 8413 H2O 2133 H2O O1 4 -0.847600 15.9994 0 - 8414 H2O 2133 H2O H1 3 0.423800 1.0079 0 - 8415 H2O 2133 H2O H2 3 0.423800 1.0079 0 - 8416 H2O 2134 H2O O1 4 -0.847600 15.9994 0 - 8417 H2O 2134 H2O H1 3 0.423800 1.0079 0 - 8418 H2O 2134 H2O H2 3 0.423800 1.0079 0 - 8419 H2O 2135 H2O O1 4 -0.847600 15.9994 0 - 8420 H2O 2135 H2O H1 3 0.423800 1.0079 0 - 8421 H2O 2135 H2O H2 3 0.423800 1.0079 0 - 8422 H2O 2136 H2O O1 4 -0.847600 15.9994 0 - 8423 H2O 2136 H2O H1 3 0.423800 1.0079 0 - 8424 H2O 2136 H2O H2 3 0.423800 1.0079 0 - 8425 H2O 2137 H2O O1 4 -0.847600 15.9994 0 - 8426 H2O 2137 H2O H1 3 0.423800 1.0079 0 - 8427 H2O 2137 H2O H2 3 0.423800 1.0079 0 - 8428 H2O 2138 H2O O1 4 -0.847600 15.9994 0 - 8429 H2O 2138 H2O H1 3 0.423800 1.0079 0 - 8430 H2O 2138 H2O H2 3 0.423800 1.0079 0 - 8431 H2O 2139 H2O O1 4 -0.847600 15.9994 0 - 8432 H2O 2139 H2O H1 3 0.423800 1.0079 0 - 8433 H2O 2139 H2O H2 3 0.423800 1.0079 0 - 8434 H2O 2140 H2O O1 4 -0.847600 15.9994 0 - 8435 H2O 2140 H2O H1 3 0.423800 1.0079 0 - 8436 H2O 2140 H2O H2 3 0.423800 1.0079 0 - 8437 H2O 2141 H2O O1 4 -0.847600 15.9994 0 - 8438 H2O 2141 H2O H1 3 0.423800 1.0079 0 - 8439 H2O 2141 H2O H2 3 0.423800 1.0079 0 - 8440 H2O 2142 H2O O1 4 -0.847600 15.9994 0 - 8441 H2O 2142 H2O H1 3 0.423800 1.0079 0 - 8442 H2O 2142 H2O H2 3 0.423800 1.0079 0 - 8443 H2O 2143 H2O O1 4 -0.847600 15.9994 0 - 8444 H2O 2143 H2O H1 3 0.423800 1.0079 0 - 8445 H2O 2143 H2O H2 3 0.423800 1.0079 0 - 8446 H2O 2144 H2O O1 4 -0.847600 15.9994 0 - 8447 H2O 2144 H2O H1 3 0.423800 1.0079 0 - 8448 H2O 2144 H2O H2 3 0.423800 1.0079 0 - 8449 H2O 2145 H2O O1 4 -0.847600 15.9994 0 - 8450 H2O 2145 H2O H1 3 0.423800 1.0079 0 - 8451 H2O 2145 H2O H2 3 0.423800 1.0079 0 - 8452 H2O 2146 H2O O1 4 -0.847600 15.9994 0 - 8453 H2O 2146 H2O H1 3 0.423800 1.0079 0 - 8454 H2O 2146 H2O H2 3 0.423800 1.0079 0 - 8455 H2O 2147 H2O O1 4 -0.847600 15.9994 0 - 8456 H2O 2147 H2O H1 3 0.423800 1.0079 0 - 8457 H2O 2147 H2O H2 3 0.423800 1.0079 0 - 8458 H2O 2148 H2O O1 4 -0.847600 15.9994 0 - 8459 H2O 2148 H2O H1 3 0.423800 1.0079 0 - 8460 H2O 2148 H2O H2 3 0.423800 1.0079 0 - 8461 H2O 2149 H2O O1 4 -0.847600 15.9994 0 - 8462 H2O 2149 H2O H1 3 0.423800 1.0079 0 - 8463 H2O 2149 H2O H2 3 0.423800 1.0079 0 - 8464 H2O 2150 H2O O1 4 -0.847600 15.9994 0 - 8465 H2O 2150 H2O H1 3 0.423800 1.0079 0 - 8466 H2O 2150 H2O H2 3 0.423800 1.0079 0 - 8467 H2O 2151 H2O O1 4 -0.847600 15.9994 0 - 8468 H2O 2151 H2O H1 3 0.423800 1.0079 0 - 8469 H2O 2151 H2O H2 3 0.423800 1.0079 0 - 8470 H2O 2152 H2O O1 4 -0.847600 15.9994 0 - 8471 H2O 2152 H2O H1 3 0.423800 1.0079 0 - 8472 H2O 2152 H2O H2 3 0.423800 1.0079 0 - 8473 H2O 2153 H2O O1 4 -0.847600 15.9994 0 - 8474 H2O 2153 H2O H1 3 0.423800 1.0079 0 - 8475 H2O 2153 H2O H2 3 0.423800 1.0079 0 - 8476 H2O 2154 H2O O1 4 -0.847600 15.9994 0 - 8477 H2O 2154 H2O H1 3 0.423800 1.0079 0 - 8478 H2O 2154 H2O H2 3 0.423800 1.0079 0 - 8479 H2O 2155 H2O O1 4 -0.847600 15.9994 0 - 8480 H2O 2155 H2O H1 3 0.423800 1.0079 0 - 8481 H2O 2155 H2O H2 3 0.423800 1.0079 0 - 8482 H2O 2156 H2O O1 4 -0.847600 15.9994 0 - 8483 H2O 2156 H2O H1 3 0.423800 1.0079 0 - 8484 H2O 2156 H2O H2 3 0.423800 1.0079 0 - 8485 H2O 2157 H2O O1 4 -0.847600 15.9994 0 - 8486 H2O 2157 H2O H1 3 0.423800 1.0079 0 - 8487 H2O 2157 H2O H2 3 0.423800 1.0079 0 - 8488 H2O 2158 H2O O1 4 -0.847600 15.9994 0 - 8489 H2O 2158 H2O H1 3 0.423800 1.0079 0 - 8490 H2O 2158 H2O H2 3 0.423800 1.0079 0 - 8491 H2O 2159 H2O O1 4 -0.847600 15.9994 0 - 8492 H2O 2159 H2O H1 3 0.423800 1.0079 0 - 8493 H2O 2159 H2O H2 3 0.423800 1.0079 0 - 8494 H2O 2160 H2O O1 4 -0.847600 15.9994 0 - 8495 H2O 2160 H2O H1 3 0.423800 1.0079 0 - 8496 H2O 2160 H2O H2 3 0.423800 1.0079 0 - 8497 H2O 2161 H2O O1 4 -0.847600 15.9994 0 - 8498 H2O 2161 H2O H1 3 0.423800 1.0079 0 - 8499 H2O 2161 H2O H2 3 0.423800 1.0079 0 - 8500 H2O 2162 H2O O1 4 -0.847600 15.9994 0 - 8501 H2O 2162 H2O H1 3 0.423800 1.0079 0 - 8502 H2O 2162 H2O H2 3 0.423800 1.0079 0 - 8503 H2O 2163 H2O O1 4 -0.847600 15.9994 0 - 8504 H2O 2163 H2O H1 3 0.423800 1.0079 0 - 8505 H2O 2163 H2O H2 3 0.423800 1.0079 0 - 8506 H2O 2164 H2O O1 4 -0.847600 15.9994 0 - 8507 H2O 2164 H2O H1 3 0.423800 1.0079 0 - 8508 H2O 2164 H2O H2 3 0.423800 1.0079 0 - 8509 H2O 2165 H2O O1 4 -0.847600 15.9994 0 - 8510 H2O 2165 H2O H1 3 0.423800 1.0079 0 - 8511 H2O 2165 H2O H2 3 0.423800 1.0079 0 - 8512 H2O 2166 H2O O1 4 -0.847600 15.9994 0 - 8513 H2O 2166 H2O H1 3 0.423800 1.0079 0 - 8514 H2O 2166 H2O H2 3 0.423800 1.0079 0 - 8515 H2O 2167 H2O O1 4 -0.847600 15.9994 0 - 8516 H2O 2167 H2O H1 3 0.423800 1.0079 0 - 8517 H2O 2167 H2O H2 3 0.423800 1.0079 0 - 8518 H2O 2168 H2O O1 4 -0.847600 15.9994 0 - 8519 H2O 2168 H2O H1 3 0.423800 1.0079 0 - 8520 H2O 2168 H2O H2 3 0.423800 1.0079 0 - 8521 H2O 2169 H2O O1 4 -0.847600 15.9994 0 - 8522 H2O 2169 H2O H1 3 0.423800 1.0079 0 - 8523 H2O 2169 H2O H2 3 0.423800 1.0079 0 - 8524 H2O 2170 H2O O1 4 -0.847600 15.9994 0 - 8525 H2O 2170 H2O H1 3 0.423800 1.0079 0 - 8526 H2O 2170 H2O H2 3 0.423800 1.0079 0 - 8527 H2O 2171 H2O O1 4 -0.847600 15.9994 0 - 8528 H2O 2171 H2O H1 3 0.423800 1.0079 0 - 8529 H2O 2171 H2O H2 3 0.423800 1.0079 0 - 8530 H2O 2172 H2O O1 4 -0.847600 15.9994 0 - 8531 H2O 2172 H2O H1 3 0.423800 1.0079 0 - 8532 H2O 2172 H2O H2 3 0.423800 1.0079 0 - 8533 H2O 2173 H2O O1 4 -0.847600 15.9994 0 - 8534 H2O 2173 H2O H1 3 0.423800 1.0079 0 - 8535 H2O 2173 H2O H2 3 0.423800 1.0079 0 - 8536 H2O 2174 H2O O1 4 -0.847600 15.9994 0 - 8537 H2O 2174 H2O H1 3 0.423800 1.0079 0 - 8538 H2O 2174 H2O H2 3 0.423800 1.0079 0 - 8539 H2O 2175 H2O O1 4 -0.847600 15.9994 0 - 8540 H2O 2175 H2O H1 3 0.423800 1.0079 0 - 8541 H2O 2175 H2O H2 3 0.423800 1.0079 0 - 8542 H2O 2176 H2O O1 4 -0.847600 15.9994 0 - 8543 H2O 2176 H2O H1 3 0.423800 1.0079 0 - 8544 H2O 2176 H2O H2 3 0.423800 1.0079 0 - 8545 H2O 2177 H2O O1 4 -0.847600 15.9994 0 - 8546 H2O 2177 H2O H1 3 0.423800 1.0079 0 - 8547 H2O 2177 H2O H2 3 0.423800 1.0079 0 - 8548 H2O 2178 H2O O1 4 -0.847600 15.9994 0 - 8549 H2O 2178 H2O H1 3 0.423800 1.0079 0 - 8550 H2O 2178 H2O H2 3 0.423800 1.0079 0 - 8551 H2O 2179 H2O O1 4 -0.847600 15.9994 0 - 8552 H2O 2179 H2O H1 3 0.423800 1.0079 0 - 8553 H2O 2179 H2O H2 3 0.423800 1.0079 0 - 8554 H2O 2180 H2O O1 4 -0.847600 15.9994 0 - 8555 H2O 2180 H2O H1 3 0.423800 1.0079 0 - 8556 H2O 2180 H2O H2 3 0.423800 1.0079 0 - 8557 H2O 2181 H2O O1 4 -0.847600 15.9994 0 - 8558 H2O 2181 H2O H1 3 0.423800 1.0079 0 - 8559 H2O 2181 H2O H2 3 0.423800 1.0079 0 - 8560 H2O 2182 H2O O1 4 -0.847600 15.9994 0 - 8561 H2O 2182 H2O H1 3 0.423800 1.0079 0 - 8562 H2O 2182 H2O H2 3 0.423800 1.0079 0 - 8563 H2O 2183 H2O O1 4 -0.847600 15.9994 0 - 8564 H2O 2183 H2O H1 3 0.423800 1.0079 0 - 8565 H2O 2183 H2O H2 3 0.423800 1.0079 0 - 8566 H2O 2184 H2O O1 4 -0.847600 15.9994 0 - 8567 H2O 2184 H2O H1 3 0.423800 1.0079 0 - 8568 H2O 2184 H2O H2 3 0.423800 1.0079 0 - 8569 H2O 2185 H2O O1 4 -0.847600 15.9994 0 - 8570 H2O 2185 H2O H1 3 0.423800 1.0079 0 - 8571 H2O 2185 H2O H2 3 0.423800 1.0079 0 - 8572 H2O 2186 H2O O1 4 -0.847600 15.9994 0 - 8573 H2O 2186 H2O H1 3 0.423800 1.0079 0 - 8574 H2O 2186 H2O H2 3 0.423800 1.0079 0 - 8575 H2O 2187 H2O O1 4 -0.847600 15.9994 0 - 8576 H2O 2187 H2O H1 3 0.423800 1.0079 0 - 8577 H2O 2187 H2O H2 3 0.423800 1.0079 0 - 8578 H2O 2188 H2O O1 4 -0.847600 15.9994 0 - 8579 H2O 2188 H2O H1 3 0.423800 1.0079 0 - 8580 H2O 2188 H2O H2 3 0.423800 1.0079 0 - 8581 H2O 2189 H2O O1 4 -0.847600 15.9994 0 - 8582 H2O 2189 H2O H1 3 0.423800 1.0079 0 - 8583 H2O 2189 H2O H2 3 0.423800 1.0079 0 - 8584 H2O 2190 H2O O1 4 -0.847600 15.9994 0 - 8585 H2O 2190 H2O H1 3 0.423800 1.0079 0 - 8586 H2O 2190 H2O H2 3 0.423800 1.0079 0 - 8587 H2O 2191 H2O O1 4 -0.847600 15.9994 0 - 8588 H2O 2191 H2O H1 3 0.423800 1.0079 0 - 8589 H2O 2191 H2O H2 3 0.423800 1.0079 0 - 8590 H2O 2192 H2O O1 4 -0.847600 15.9994 0 - 8591 H2O 2192 H2O H1 3 0.423800 1.0079 0 - 8592 H2O 2192 H2O H2 3 0.423800 1.0079 0 - 8593 H2O 2193 H2O O1 4 -0.847600 15.9994 0 - 8594 H2O 2193 H2O H1 3 0.423800 1.0079 0 - 8595 H2O 2193 H2O H2 3 0.423800 1.0079 0 - 8596 H2O 2194 H2O O1 4 -0.847600 15.9994 0 - 8597 H2O 2194 H2O H1 3 0.423800 1.0079 0 - 8598 H2O 2194 H2O H2 3 0.423800 1.0079 0 - 8599 H2O 2195 H2O O1 4 -0.847600 15.9994 0 - 8600 H2O 2195 H2O H1 3 0.423800 1.0079 0 - 8601 H2O 2195 H2O H2 3 0.423800 1.0079 0 - 8602 H2O 2196 H2O O1 4 -0.847600 15.9994 0 - 8603 H2O 2196 H2O H1 3 0.423800 1.0079 0 - 8604 H2O 2196 H2O H2 3 0.423800 1.0079 0 - 8605 H2O 2197 H2O O1 4 -0.847600 15.9994 0 - 8606 H2O 2197 H2O H1 3 0.423800 1.0079 0 - 8607 H2O 2197 H2O H2 3 0.423800 1.0079 0 - 8608 H2O 2198 H2O O1 4 -0.847600 15.9994 0 - 8609 H2O 2198 H2O H1 3 0.423800 1.0079 0 - 8610 H2O 2198 H2O H2 3 0.423800 1.0079 0 - 8611 H2O 2199 H2O O1 4 -0.847600 15.9994 0 - 8612 H2O 2199 H2O H1 3 0.423800 1.0079 0 - 8613 H2O 2199 H2O H2 3 0.423800 1.0079 0 - 8614 H2O 2200 H2O O1 4 -0.847600 15.9994 0 - 8615 H2O 2200 H2O H1 3 0.423800 1.0079 0 - 8616 H2O 2200 H2O H2 3 0.423800 1.0079 0 - 8617 H2O 2201 H2O O1 4 -0.847600 15.9994 0 - 8618 H2O 2201 H2O H1 3 0.423800 1.0079 0 - 8619 H2O 2201 H2O H2 3 0.423800 1.0079 0 - 8620 H2O 2202 H2O O1 4 -0.847600 15.9994 0 - 8621 H2O 2202 H2O H1 3 0.423800 1.0079 0 - 8622 H2O 2202 H2O H2 3 0.423800 1.0079 0 - 8623 H2O 2203 H2O O1 4 -0.847600 15.9994 0 - 8624 H2O 2203 H2O H1 3 0.423800 1.0079 0 - 8625 H2O 2203 H2O H2 3 0.423800 1.0079 0 - 8626 H2O 2204 H2O O1 4 -0.847600 15.9994 0 - 8627 H2O 2204 H2O H1 3 0.423800 1.0079 0 - 8628 H2O 2204 H2O H2 3 0.423800 1.0079 0 - 8629 H2O 2205 H2O O1 4 -0.847600 15.9994 0 - 8630 H2O 2205 H2O H1 3 0.423800 1.0079 0 - 8631 H2O 2205 H2O H2 3 0.423800 1.0079 0 - 8632 H2O 2206 H2O O1 4 -0.847600 15.9994 0 - 8633 H2O 2206 H2O H1 3 0.423800 1.0079 0 - 8634 H2O 2206 H2O H2 3 0.423800 1.0079 0 - 8635 H2O 2207 H2O O1 4 -0.847600 15.9994 0 - 8636 H2O 2207 H2O H1 3 0.423800 1.0079 0 - 8637 H2O 2207 H2O H2 3 0.423800 1.0079 0 - 8638 H2O 2208 H2O O1 4 -0.847600 15.9994 0 - 8639 H2O 2208 H2O H1 3 0.423800 1.0079 0 - 8640 H2O 2208 H2O H2 3 0.423800 1.0079 0 - 8641 H2O 2209 H2O O1 4 -0.847600 15.9994 0 - 8642 H2O 2209 H2O H1 3 0.423800 1.0079 0 - 8643 H2O 2209 H2O H2 3 0.423800 1.0079 0 - 8644 H2O 2210 H2O O1 4 -0.847600 15.9994 0 - 8645 H2O 2210 H2O H1 3 0.423800 1.0079 0 - 8646 H2O 2210 H2O H2 3 0.423800 1.0079 0 - 8647 H2O 2211 H2O O1 4 -0.847600 15.9994 0 - 8648 H2O 2211 H2O H1 3 0.423800 1.0079 0 - 8649 H2O 2211 H2O H2 3 0.423800 1.0079 0 - 8650 H2O 2212 H2O O1 4 -0.847600 15.9994 0 - 8651 H2O 2212 H2O H1 3 0.423800 1.0079 0 - 8652 H2O 2212 H2O H2 3 0.423800 1.0079 0 - 8653 H2O 2213 H2O O1 4 -0.847600 15.9994 0 - 8654 H2O 2213 H2O H1 3 0.423800 1.0079 0 - 8655 H2O 2213 H2O H2 3 0.423800 1.0079 0 - 8656 H2O 2214 H2O O1 4 -0.847600 15.9994 0 - 8657 H2O 2214 H2O H1 3 0.423800 1.0079 0 - 8658 H2O 2214 H2O H2 3 0.423800 1.0079 0 - 8659 H2O 2215 H2O O1 4 -0.847600 15.9994 0 - 8660 H2O 2215 H2O H1 3 0.423800 1.0079 0 - 8661 H2O 2215 H2O H2 3 0.423800 1.0079 0 - 8662 H2O 2216 H2O O1 4 -0.847600 15.9994 0 - 8663 H2O 2216 H2O H1 3 0.423800 1.0079 0 - 8664 H2O 2216 H2O H2 3 0.423800 1.0079 0 - 8665 H2O 2217 H2O O1 4 -0.847600 15.9994 0 - 8666 H2O 2217 H2O H1 3 0.423800 1.0079 0 - 8667 H2O 2217 H2O H2 3 0.423800 1.0079 0 - 8668 H2O 2218 H2O O1 4 -0.847600 15.9994 0 - 8669 H2O 2218 H2O H1 3 0.423800 1.0079 0 - 8670 H2O 2218 H2O H2 3 0.423800 1.0079 0 - 8671 H2O 2219 H2O O1 4 -0.847600 15.9994 0 - 8672 H2O 2219 H2O H1 3 0.423800 1.0079 0 - 8673 H2O 2219 H2O H2 3 0.423800 1.0079 0 - 8674 H2O 2220 H2O O1 4 -0.847600 15.9994 0 - 8675 H2O 2220 H2O H1 3 0.423800 1.0079 0 - 8676 H2O 2220 H2O H2 3 0.423800 1.0079 0 - 8677 H2O 2221 H2O O1 4 -0.847600 15.9994 0 - 8678 H2O 2221 H2O H1 3 0.423800 1.0079 0 - 8679 H2O 2221 H2O H2 3 0.423800 1.0079 0 - 8680 H2O 2222 H2O O1 4 -0.847600 15.9994 0 - 8681 H2O 2222 H2O H1 3 0.423800 1.0079 0 - 8682 H2O 2222 H2O H2 3 0.423800 1.0079 0 - 8683 H2O 2223 H2O O1 4 -0.847600 15.9994 0 - 8684 H2O 2223 H2O H1 3 0.423800 1.0079 0 - 8685 H2O 2223 H2O H2 3 0.423800 1.0079 0 - 8686 H2O 2224 H2O O1 4 -0.847600 15.9994 0 - 8687 H2O 2224 H2O H1 3 0.423800 1.0079 0 - 8688 H2O 2224 H2O H2 3 0.423800 1.0079 0 - 8689 H2O 2225 H2O O1 4 -0.847600 15.9994 0 - 8690 H2O 2225 H2O H1 3 0.423800 1.0079 0 - 8691 H2O 2225 H2O H2 3 0.423800 1.0079 0 - 8692 H2O 2226 H2O O1 4 -0.847600 15.9994 0 - 8693 H2O 2226 H2O H1 3 0.423800 1.0079 0 - 8694 H2O 2226 H2O H2 3 0.423800 1.0079 0 - 8695 H2O 2227 H2O O1 4 -0.847600 15.9994 0 - 8696 H2O 2227 H2O H1 3 0.423800 1.0079 0 - 8697 H2O 2227 H2O H2 3 0.423800 1.0079 0 - 8698 H2O 2228 H2O O1 4 -0.847600 15.9994 0 - 8699 H2O 2228 H2O H1 3 0.423800 1.0079 0 - 8700 H2O 2228 H2O H2 3 0.423800 1.0079 0 - 8701 H2O 2229 H2O O1 4 -0.847600 15.9994 0 - 8702 H2O 2229 H2O H1 3 0.423800 1.0079 0 - 8703 H2O 2229 H2O H2 3 0.423800 1.0079 0 - 8704 H2O 2230 H2O O1 4 -0.847600 15.9994 0 - 8705 H2O 2230 H2O H1 3 0.423800 1.0079 0 - 8706 H2O 2230 H2O H2 3 0.423800 1.0079 0 - 8707 H2O 2231 H2O O1 4 -0.847600 15.9994 0 - 8708 H2O 2231 H2O H1 3 0.423800 1.0079 0 - 8709 H2O 2231 H2O H2 3 0.423800 1.0079 0 - 8710 H2O 2232 H2O O1 4 -0.847600 15.9994 0 - 8711 H2O 2232 H2O H1 3 0.423800 1.0079 0 - 8712 H2O 2232 H2O H2 3 0.423800 1.0079 0 - 8713 H2O 2233 H2O O1 4 -0.847600 15.9994 0 - 8714 H2O 2233 H2O H1 3 0.423800 1.0079 0 - 8715 H2O 2233 H2O H2 3 0.423800 1.0079 0 - 8716 H2O 2234 H2O O1 4 -0.847600 15.9994 0 - 8717 H2O 2234 H2O H1 3 0.423800 1.0079 0 - 8718 H2O 2234 H2O H2 3 0.423800 1.0079 0 - 8719 H2O 2235 H2O O1 4 -0.847600 15.9994 0 - 8720 H2O 2235 H2O H1 3 0.423800 1.0079 0 - 8721 H2O 2235 H2O H2 3 0.423800 1.0079 0 - 8722 H2O 2236 H2O O1 4 -0.847600 15.9994 0 - 8723 H2O 2236 H2O H1 3 0.423800 1.0079 0 - 8724 H2O 2236 H2O H2 3 0.423800 1.0079 0 - 8725 H2O 2237 H2O O1 4 -0.847600 15.9994 0 - 8726 H2O 2237 H2O H1 3 0.423800 1.0079 0 - 8727 H2O 2237 H2O H2 3 0.423800 1.0079 0 - 8728 H2O 2238 H2O O1 4 -0.847600 15.9994 0 - 8729 H2O 2238 H2O H1 3 0.423800 1.0079 0 - 8730 H2O 2238 H2O H2 3 0.423800 1.0079 0 - 8731 H2O 2239 H2O O1 4 -0.847600 15.9994 0 - 8732 H2O 2239 H2O H1 3 0.423800 1.0079 0 - 8733 H2O 2239 H2O H2 3 0.423800 1.0079 0 - 8734 H2O 2240 H2O O1 4 -0.847600 15.9994 0 - 8735 H2O 2240 H2O H1 3 0.423800 1.0079 0 - 8736 H2O 2240 H2O H2 3 0.423800 1.0079 0 - 8737 H2O 2241 H2O O1 4 -0.847600 15.9994 0 - 8738 H2O 2241 H2O H1 3 0.423800 1.0079 0 - 8739 H2O 2241 H2O H2 3 0.423800 1.0079 0 - 8740 H2O 2242 H2O O1 4 -0.847600 15.9994 0 - 8741 H2O 2242 H2O H1 3 0.423800 1.0079 0 - 8742 H2O 2242 H2O H2 3 0.423800 1.0079 0 - 8743 H2O 2243 H2O O1 4 -0.847600 15.9994 0 - 8744 H2O 2243 H2O H1 3 0.423800 1.0079 0 - 8745 H2O 2243 H2O H2 3 0.423800 1.0079 0 - 8746 H2O 2244 H2O O1 4 -0.847600 15.9994 0 - 8747 H2O 2244 H2O H1 3 0.423800 1.0079 0 - 8748 H2O 2244 H2O H2 3 0.423800 1.0079 0 - 8749 H2O 2245 H2O O1 4 -0.847600 15.9994 0 - 8750 H2O 2245 H2O H1 3 0.423800 1.0079 0 - 8751 H2O 2245 H2O H2 3 0.423800 1.0079 0 - 8752 H2O 2246 H2O O1 4 -0.847600 15.9994 0 - 8753 H2O 2246 H2O H1 3 0.423800 1.0079 0 - 8754 H2O 2246 H2O H2 3 0.423800 1.0079 0 - 8755 H2O 2247 H2O O1 4 -0.847600 15.9994 0 - 8756 H2O 2247 H2O H1 3 0.423800 1.0079 0 - 8757 H2O 2247 H2O H2 3 0.423800 1.0079 0 - 8758 H2O 2248 H2O O1 4 -0.847600 15.9994 0 - 8759 H2O 2248 H2O H1 3 0.423800 1.0079 0 - 8760 H2O 2248 H2O H2 3 0.423800 1.0079 0 - 8761 H2O 2249 H2O O1 4 -0.847600 15.9994 0 - 8762 H2O 2249 H2O H1 3 0.423800 1.0079 0 - 8763 H2O 2249 H2O H2 3 0.423800 1.0079 0 - 8764 H2O 2250 H2O O1 4 -0.847600 15.9994 0 - 8765 H2O 2250 H2O H1 3 0.423800 1.0079 0 - 8766 H2O 2250 H2O H2 3 0.423800 1.0079 0 - 8767 H2O 2251 H2O O1 4 -0.847600 15.9994 0 - 8768 H2O 2251 H2O H1 3 0.423800 1.0079 0 - 8769 H2O 2251 H2O H2 3 0.423800 1.0079 0 - 8770 H2O 2252 H2O O1 4 -0.847600 15.9994 0 - 8771 H2O 2252 H2O H1 3 0.423800 1.0079 0 - 8772 H2O 2252 H2O H2 3 0.423800 1.0079 0 - 8773 H2O 2253 H2O O1 4 -0.847600 15.9994 0 - 8774 H2O 2253 H2O H1 3 0.423800 1.0079 0 - 8775 H2O 2253 H2O H2 3 0.423800 1.0079 0 - 8776 H2O 2254 H2O O1 4 -0.847600 15.9994 0 - 8777 H2O 2254 H2O H1 3 0.423800 1.0079 0 - 8778 H2O 2254 H2O H2 3 0.423800 1.0079 0 - 8779 H2O 2255 H2O O1 4 -0.847600 15.9994 0 - 8780 H2O 2255 H2O H1 3 0.423800 1.0079 0 - 8781 H2O 2255 H2O H2 3 0.423800 1.0079 0 - 8782 H2O 2256 H2O O1 4 -0.847600 15.9994 0 - 8783 H2O 2256 H2O H1 3 0.423800 1.0079 0 - 8784 H2O 2256 H2O H2 3 0.423800 1.0079 0 - 8785 H2O 2257 H2O O1 4 -0.847600 15.9994 0 - 8786 H2O 2257 H2O H1 3 0.423800 1.0079 0 - 8787 H2O 2257 H2O H2 3 0.423800 1.0079 0 - 8788 H2O 2258 H2O O1 4 -0.847600 15.9994 0 - 8789 H2O 2258 H2O H1 3 0.423800 1.0079 0 - 8790 H2O 2258 H2O H2 3 0.423800 1.0079 0 - 8791 H2O 2259 H2O O1 4 -0.847600 15.9994 0 - 8792 H2O 2259 H2O H1 3 0.423800 1.0079 0 - 8793 H2O 2259 H2O H2 3 0.423800 1.0079 0 - 8794 H2O 2260 H2O O1 4 -0.847600 15.9994 0 - 8795 H2O 2260 H2O H1 3 0.423800 1.0079 0 - 8796 H2O 2260 H2O H2 3 0.423800 1.0079 0 - 8797 H2O 2261 H2O O1 4 -0.847600 15.9994 0 - 8798 H2O 2261 H2O H1 3 0.423800 1.0079 0 - 8799 H2O 2261 H2O H2 3 0.423800 1.0079 0 - 8800 H2O 2262 H2O O1 4 -0.847600 15.9994 0 - 8801 H2O 2262 H2O H1 3 0.423800 1.0079 0 - 8802 H2O 2262 H2O H2 3 0.423800 1.0079 0 - 8803 H2O 2263 H2O O1 4 -0.847600 15.9994 0 - 8804 H2O 2263 H2O H1 3 0.423800 1.0079 0 - 8805 H2O 2263 H2O H2 3 0.423800 1.0079 0 - 8806 H2O 2264 H2O O1 4 -0.847600 15.9994 0 - 8807 H2O 2264 H2O H1 3 0.423800 1.0079 0 - 8808 H2O 2264 H2O H2 3 0.423800 1.0079 0 - 8809 H2O 2265 H2O O1 4 -0.847600 15.9994 0 - 8810 H2O 2265 H2O H1 3 0.423800 1.0079 0 - 8811 H2O 2265 H2O H2 3 0.423800 1.0079 0 - 8812 H2O 2266 H2O O1 4 -0.847600 15.9994 0 - 8813 H2O 2266 H2O H1 3 0.423800 1.0079 0 - 8814 H2O 2266 H2O H2 3 0.423800 1.0079 0 - 8815 H2O 2267 H2O O1 4 -0.847600 15.9994 0 - 8816 H2O 2267 H2O H1 3 0.423800 1.0079 0 - 8817 H2O 2267 H2O H2 3 0.423800 1.0079 0 - 8818 H2O 2268 H2O O1 4 -0.847600 15.9994 0 - 8819 H2O 2268 H2O H1 3 0.423800 1.0079 0 - 8820 H2O 2268 H2O H2 3 0.423800 1.0079 0 - 8821 H2O 2269 H2O O1 4 -0.847600 15.9994 0 - 8822 H2O 2269 H2O H1 3 0.423800 1.0079 0 - 8823 H2O 2269 H2O H2 3 0.423800 1.0079 0 - 8824 H2O 2270 H2O O1 4 -0.847600 15.9994 0 - 8825 H2O 2270 H2O H1 3 0.423800 1.0079 0 - 8826 H2O 2270 H2O H2 3 0.423800 1.0079 0 - 8827 H2O 2271 H2O O1 4 -0.847600 15.9994 0 - 8828 H2O 2271 H2O H1 3 0.423800 1.0079 0 - 8829 H2O 2271 H2O H2 3 0.423800 1.0079 0 - 8830 H2O 2272 H2O O1 4 -0.847600 15.9994 0 - 8831 H2O 2272 H2O H1 3 0.423800 1.0079 0 - 8832 H2O 2272 H2O H2 3 0.423800 1.0079 0 - 8833 H2O 2273 H2O O1 4 -0.847600 15.9994 0 - 8834 H2O 2273 H2O H1 3 0.423800 1.0079 0 - 8835 H2O 2273 H2O H2 3 0.423800 1.0079 0 - 8836 H2O 2274 H2O O1 4 -0.847600 15.9994 0 - 8837 H2O 2274 H2O H1 3 0.423800 1.0079 0 - 8838 H2O 2274 H2O H2 3 0.423800 1.0079 0 - 8839 H2O 2275 H2O O1 4 -0.847600 15.9994 0 - 8840 H2O 2275 H2O H1 3 0.423800 1.0079 0 - 8841 H2O 2275 H2O H2 3 0.423800 1.0079 0 - 8842 H2O 2276 H2O O1 4 -0.847600 15.9994 0 - 8843 H2O 2276 H2O H1 3 0.423800 1.0079 0 - 8844 H2O 2276 H2O H2 3 0.423800 1.0079 0 - 8845 H2O 2277 H2O O1 4 -0.847600 15.9994 0 - 8846 H2O 2277 H2O H1 3 0.423800 1.0079 0 - 8847 H2O 2277 H2O H2 3 0.423800 1.0079 0 - 8848 H2O 2278 H2O O1 4 -0.847600 15.9994 0 - 8849 H2O 2278 H2O H1 3 0.423800 1.0079 0 - 8850 H2O 2278 H2O H2 3 0.423800 1.0079 0 - 8851 H2O 2279 H2O O1 4 -0.847600 15.9994 0 - 8852 H2O 2279 H2O H1 3 0.423800 1.0079 0 - 8853 H2O 2279 H2O H2 3 0.423800 1.0079 0 - 8854 H2O 2280 H2O O1 4 -0.847600 15.9994 0 - 8855 H2O 2280 H2O H1 3 0.423800 1.0079 0 - 8856 H2O 2280 H2O H2 3 0.423800 1.0079 0 - 8857 H2O 2281 H2O O1 4 -0.847600 15.9994 0 - 8858 H2O 2281 H2O H1 3 0.423800 1.0079 0 - 8859 H2O 2281 H2O H2 3 0.423800 1.0079 0 - 8860 H2O 2282 H2O O1 4 -0.847600 15.9994 0 - 8861 H2O 2282 H2O H1 3 0.423800 1.0079 0 - 8862 H2O 2282 H2O H2 3 0.423800 1.0079 0 - 8863 H2O 2283 H2O O1 4 -0.847600 15.9994 0 - 8864 H2O 2283 H2O H1 3 0.423800 1.0079 0 - 8865 H2O 2283 H2O H2 3 0.423800 1.0079 0 - 8866 H2O 2284 H2O O1 4 -0.847600 15.9994 0 - 8867 H2O 2284 H2O H1 3 0.423800 1.0079 0 - 8868 H2O 2284 H2O H2 3 0.423800 1.0079 0 - 8869 H2O 2285 H2O O1 4 -0.847600 15.9994 0 - 8870 H2O 2285 H2O H1 3 0.423800 1.0079 0 - 8871 H2O 2285 H2O H2 3 0.423800 1.0079 0 - 8872 H2O 2286 H2O O1 4 -0.847600 15.9994 0 - 8873 H2O 2286 H2O H1 3 0.423800 1.0079 0 - 8874 H2O 2286 H2O H2 3 0.423800 1.0079 0 - 8875 H2O 2287 H2O O1 4 -0.847600 15.9994 0 - 8876 H2O 2287 H2O H1 3 0.423800 1.0079 0 - 8877 H2O 2287 H2O H2 3 0.423800 1.0079 0 - 8878 H2O 2288 H2O O1 4 -0.847600 15.9994 0 - 8879 H2O 2288 H2O H1 3 0.423800 1.0079 0 - 8880 H2O 2288 H2O H2 3 0.423800 1.0079 0 - 8881 H2O 2289 H2O O1 4 -0.847600 15.9994 0 - 8882 H2O 2289 H2O H1 3 0.423800 1.0079 0 - 8883 H2O 2289 H2O H2 3 0.423800 1.0079 0 - 8884 H2O 2290 H2O O1 4 -0.847600 15.9994 0 - 8885 H2O 2290 H2O H1 3 0.423800 1.0079 0 - 8886 H2O 2290 H2O H2 3 0.423800 1.0079 0 - 8887 H2O 2291 H2O O1 4 -0.847600 15.9994 0 - 8888 H2O 2291 H2O H1 3 0.423800 1.0079 0 - 8889 H2O 2291 H2O H2 3 0.423800 1.0079 0 - 8890 H2O 2292 H2O O1 4 -0.847600 15.9994 0 - 8891 H2O 2292 H2O H1 3 0.423800 1.0079 0 - 8892 H2O 2292 H2O H2 3 0.423800 1.0079 0 - 8893 H2O 2293 H2O O1 4 -0.847600 15.9994 0 - 8894 H2O 2293 H2O H1 3 0.423800 1.0079 0 - 8895 H2O 2293 H2O H2 3 0.423800 1.0079 0 - 8896 H2O 2294 H2O O1 4 -0.847600 15.9994 0 - 8897 H2O 2294 H2O H1 3 0.423800 1.0079 0 - 8898 H2O 2294 H2O H2 3 0.423800 1.0079 0 - 8899 H2O 2295 H2O O1 4 -0.847600 15.9994 0 - 8900 H2O 2295 H2O H1 3 0.423800 1.0079 0 - 8901 H2O 2295 H2O H2 3 0.423800 1.0079 0 - 8902 H2O 2296 H2O O1 4 -0.847600 15.9994 0 - 8903 H2O 2296 H2O H1 3 0.423800 1.0079 0 - 8904 H2O 2296 H2O H2 3 0.423800 1.0079 0 - 8905 H2O 2297 H2O O1 4 -0.847600 15.9994 0 - 8906 H2O 2297 H2O H1 3 0.423800 1.0079 0 - 8907 H2O 2297 H2O H2 3 0.423800 1.0079 0 - 8908 H2O 2298 H2O O1 4 -0.847600 15.9994 0 - 8909 H2O 2298 H2O H1 3 0.423800 1.0079 0 - 8910 H2O 2298 H2O H2 3 0.423800 1.0079 0 - 8911 H2O 2299 H2O O1 4 -0.847600 15.9994 0 - 8912 H2O 2299 H2O H1 3 0.423800 1.0079 0 - 8913 H2O 2299 H2O H2 3 0.423800 1.0079 0 - 8914 H2O 2300 H2O O1 4 -0.847600 15.9994 0 - 8915 H2O 2300 H2O H1 3 0.423800 1.0079 0 - 8916 H2O 2300 H2O H2 3 0.423800 1.0079 0 - 8917 H2O 2301 H2O O1 4 -0.847600 15.9994 0 - 8918 H2O 2301 H2O H1 3 0.423800 1.0079 0 - 8919 H2O 2301 H2O H2 3 0.423800 1.0079 0 - 8920 H2O 2302 H2O O1 4 -0.847600 15.9994 0 - 8921 H2O 2302 H2O H1 3 0.423800 1.0079 0 - 8922 H2O 2302 H2O H2 3 0.423800 1.0079 0 - 8923 H2O 2303 H2O O1 4 -0.847600 15.9994 0 - 8924 H2O 2303 H2O H1 3 0.423800 1.0079 0 - 8925 H2O 2303 H2O H2 3 0.423800 1.0079 0 - 8926 H2O 2304 H2O O1 4 -0.847600 15.9994 0 - 8927 H2O 2304 H2O H1 3 0.423800 1.0079 0 - 8928 H2O 2304 H2O H2 3 0.423800 1.0079 0 - 8929 H2O 2305 H2O O1 4 -0.847600 15.9994 0 - 8930 H2O 2305 H2O H1 3 0.423800 1.0079 0 - 8931 H2O 2305 H2O H2 3 0.423800 1.0079 0 - 8932 H2O 2306 H2O O1 4 -0.847600 15.9994 0 - 8933 H2O 2306 H2O H1 3 0.423800 1.0079 0 - 8934 H2O 2306 H2O H2 3 0.423800 1.0079 0 - 8935 H2O 2307 H2O O1 4 -0.847600 15.9994 0 - 8936 H2O 2307 H2O H1 3 0.423800 1.0079 0 - 8937 H2O 2307 H2O H2 3 0.423800 1.0079 0 - 8938 H2O 2308 H2O O1 4 -0.847600 15.9994 0 - 8939 H2O 2308 H2O H1 3 0.423800 1.0079 0 - 8940 H2O 2308 H2O H2 3 0.423800 1.0079 0 - 8941 H2O 2309 H2O O1 4 -0.847600 15.9994 0 - 8942 H2O 2309 H2O H1 3 0.423800 1.0079 0 - 8943 H2O 2309 H2O H2 3 0.423800 1.0079 0 - 8944 H2O 2310 H2O O1 4 -0.847600 15.9994 0 - 8945 H2O 2310 H2O H1 3 0.423800 1.0079 0 - 8946 H2O 2310 H2O H2 3 0.423800 1.0079 0 - 8947 H2O 2311 H2O O1 4 -0.847600 15.9994 0 - 8948 H2O 2311 H2O H1 3 0.423800 1.0079 0 - 8949 H2O 2311 H2O H2 3 0.423800 1.0079 0 - 8950 H2O 2312 H2O O1 4 -0.847600 15.9994 0 - 8951 H2O 2312 H2O H1 3 0.423800 1.0079 0 - 8952 H2O 2312 H2O H2 3 0.423800 1.0079 0 - 8953 H2O 2313 H2O O1 4 -0.847600 15.9994 0 - 8954 H2O 2313 H2O H1 3 0.423800 1.0079 0 - 8955 H2O 2313 H2O H2 3 0.423800 1.0079 0 - 8956 H2O 2314 H2O O1 4 -0.847600 15.9994 0 - 8957 H2O 2314 H2O H1 3 0.423800 1.0079 0 - 8958 H2O 2314 H2O H2 3 0.423800 1.0079 0 - 8959 H2O 2315 H2O O1 4 -0.847600 15.9994 0 - 8960 H2O 2315 H2O H1 3 0.423800 1.0079 0 - 8961 H2O 2315 H2O H2 3 0.423800 1.0079 0 - 8962 H2O 2316 H2O O1 4 -0.847600 15.9994 0 - 8963 H2O 2316 H2O H1 3 0.423800 1.0079 0 - 8964 H2O 2316 H2O H2 3 0.423800 1.0079 0 - 8965 H2O 2317 H2O O1 4 -0.847600 15.9994 0 - 8966 H2O 2317 H2O H1 3 0.423800 1.0079 0 - 8967 H2O 2317 H2O H2 3 0.423800 1.0079 0 - 8968 H2O 2318 H2O O1 4 -0.847600 15.9994 0 - 8969 H2O 2318 H2O H1 3 0.423800 1.0079 0 - 8970 H2O 2318 H2O H2 3 0.423800 1.0079 0 - 8971 H2O 2319 H2O O1 4 -0.847600 15.9994 0 - 8972 H2O 2319 H2O H1 3 0.423800 1.0079 0 - 8973 H2O 2319 H2O H2 3 0.423800 1.0079 0 - 8974 H2O 2320 H2O O1 4 -0.847600 15.9994 0 - 8975 H2O 2320 H2O H1 3 0.423800 1.0079 0 - 8976 H2O 2320 H2O H2 3 0.423800 1.0079 0 - 8977 H2O 2321 H2O O1 4 -0.847600 15.9994 0 - 8978 H2O 2321 H2O H1 3 0.423800 1.0079 0 - 8979 H2O 2321 H2O H2 3 0.423800 1.0079 0 - 8980 H2O 2322 H2O O1 4 -0.847600 15.9994 0 - 8981 H2O 2322 H2O H1 3 0.423800 1.0079 0 - 8982 H2O 2322 H2O H2 3 0.423800 1.0079 0 - 8983 H2O 2323 H2O O1 4 -0.847600 15.9994 0 - 8984 H2O 2323 H2O H1 3 0.423800 1.0079 0 - 8985 H2O 2323 H2O H2 3 0.423800 1.0079 0 - 8986 H2O 2324 H2O O1 4 -0.847600 15.9994 0 - 8987 H2O 2324 H2O H1 3 0.423800 1.0079 0 - 8988 H2O 2324 H2O H2 3 0.423800 1.0079 0 - 8989 H2O 2325 H2O O1 4 -0.847600 15.9994 0 - 8990 H2O 2325 H2O H1 3 0.423800 1.0079 0 - 8991 H2O 2325 H2O H2 3 0.423800 1.0079 0 - 8992 H2O 2326 H2O O1 4 -0.847600 15.9994 0 - 8993 H2O 2326 H2O H1 3 0.423800 1.0079 0 - 8994 H2O 2326 H2O H2 3 0.423800 1.0079 0 - 8995 H2O 2327 H2O O1 4 -0.847600 15.9994 0 - 8996 H2O 2327 H2O H1 3 0.423800 1.0079 0 - 8997 H2O 2327 H2O H2 3 0.423800 1.0079 0 - 8998 H2O 2328 H2O O1 4 -0.847600 15.9994 0 - 8999 H2O 2328 H2O H1 3 0.423800 1.0079 0 - 9000 H2O 2328 H2O H2 3 0.423800 1.0079 0 - 9001 H2O 2329 H2O O1 4 -0.847600 15.9994 0 - 9002 H2O 2329 H2O H1 3 0.423800 1.0079 0 - 9003 H2O 2329 H2O H2 3 0.423800 1.0079 0 - 9004 H2O 2330 H2O O1 4 -0.847600 15.9994 0 - 9005 H2O 2330 H2O H1 3 0.423800 1.0079 0 - 9006 H2O 2330 H2O H2 3 0.423800 1.0079 0 - 9007 H2O 2331 H2O O1 4 -0.847600 15.9994 0 - 9008 H2O 2331 H2O H1 3 0.423800 1.0079 0 - 9009 H2O 2331 H2O H2 3 0.423800 1.0079 0 - 9010 H2O 2332 H2O O1 4 -0.847600 15.9994 0 - 9011 H2O 2332 H2O H1 3 0.423800 1.0079 0 - 9012 H2O 2332 H2O H2 3 0.423800 1.0079 0 - 9013 H2O 2333 H2O O1 4 -0.847600 15.9994 0 - 9014 H2O 2333 H2O H1 3 0.423800 1.0079 0 - 9015 H2O 2333 H2O H2 3 0.423800 1.0079 0 - 9016 H2O 2334 H2O O1 4 -0.847600 15.9994 0 - 9017 H2O 2334 H2O H1 3 0.423800 1.0079 0 - 9018 H2O 2334 H2O H2 3 0.423800 1.0079 0 - 9019 H2O 2335 H2O O1 4 -0.847600 15.9994 0 - 9020 H2O 2335 H2O H1 3 0.423800 1.0079 0 - 9021 H2O 2335 H2O H2 3 0.423800 1.0079 0 - 9022 H2O 2336 H2O O1 4 -0.847600 15.9994 0 - 9023 H2O 2336 H2O H1 3 0.423800 1.0079 0 - 9024 H2O 2336 H2O H2 3 0.423800 1.0079 0 - 9025 H2O 2337 H2O O1 4 -0.847600 15.9994 0 - 9026 H2O 2337 H2O H1 3 0.423800 1.0079 0 - 9027 H2O 2337 H2O H2 3 0.423800 1.0079 0 - 9028 H2O 2338 H2O O1 4 -0.847600 15.9994 0 - 9029 H2O 2338 H2O H1 3 0.423800 1.0079 0 - 9030 H2O 2338 H2O H2 3 0.423800 1.0079 0 - 9031 H2O 2339 H2O O1 4 -0.847600 15.9994 0 - 9032 H2O 2339 H2O H1 3 0.423800 1.0079 0 - 9033 H2O 2339 H2O H2 3 0.423800 1.0079 0 - 9034 H2O 2340 H2O O1 4 -0.847600 15.9994 0 - 9035 H2O 2340 H2O H1 3 0.423800 1.0079 0 - 9036 H2O 2340 H2O H2 3 0.423800 1.0079 0 - 9037 H2O 2341 H2O O1 4 -0.847600 15.9994 0 - 9038 H2O 2341 H2O H1 3 0.423800 1.0079 0 - 9039 H2O 2341 H2O H2 3 0.423800 1.0079 0 - 9040 H2O 2342 H2O O1 4 -0.847600 15.9994 0 - 9041 H2O 2342 H2O H1 3 0.423800 1.0079 0 - 9042 H2O 2342 H2O H2 3 0.423800 1.0079 0 - 9043 H2O 2343 H2O O1 4 -0.847600 15.9994 0 - 9044 H2O 2343 H2O H1 3 0.423800 1.0079 0 - 9045 H2O 2343 H2O H2 3 0.423800 1.0079 0 - 9046 H2O 2344 H2O O1 4 -0.847600 15.9994 0 - 9047 H2O 2344 H2O H1 3 0.423800 1.0079 0 - 9048 H2O 2344 H2O H2 3 0.423800 1.0079 0 - 9049 H2O 2345 H2O O1 4 -0.847600 15.9994 0 - 9050 H2O 2345 H2O H1 3 0.423800 1.0079 0 - 9051 H2O 2345 H2O H2 3 0.423800 1.0079 0 - 9052 H2O 2346 H2O O1 4 -0.847600 15.9994 0 - 9053 H2O 2346 H2O H1 3 0.423800 1.0079 0 - 9054 H2O 2346 H2O H2 3 0.423800 1.0079 0 - 9055 H2O 2347 H2O O1 4 -0.847600 15.9994 0 - 9056 H2O 2347 H2O H1 3 0.423800 1.0079 0 - 9057 H2O 2347 H2O H2 3 0.423800 1.0079 0 - 9058 H2O 2348 H2O O1 4 -0.847600 15.9994 0 - 9059 H2O 2348 H2O H1 3 0.423800 1.0079 0 - 9060 H2O 2348 H2O H2 3 0.423800 1.0079 0 - 9061 H2O 2349 H2O O1 4 -0.847600 15.9994 0 - 9062 H2O 2349 H2O H1 3 0.423800 1.0079 0 - 9063 H2O 2349 H2O H2 3 0.423800 1.0079 0 - 9064 H2O 2350 H2O O1 4 -0.847600 15.9994 0 - 9065 H2O 2350 H2O H1 3 0.423800 1.0079 0 - 9066 H2O 2350 H2O H2 3 0.423800 1.0079 0 - 9067 H2O 2351 H2O O1 4 -0.847600 15.9994 0 - 9068 H2O 2351 H2O H1 3 0.423800 1.0079 0 - 9069 H2O 2351 H2O H2 3 0.423800 1.0079 0 - 9070 H2O 2352 H2O O1 4 -0.847600 15.9994 0 - 9071 H2O 2352 H2O H1 3 0.423800 1.0079 0 - 9072 H2O 2352 H2O H2 3 0.423800 1.0079 0 - 9073 H2O 2353 H2O O1 4 -0.847600 15.9994 0 - 9074 H2O 2353 H2O H1 3 0.423800 1.0079 0 - 9075 H2O 2353 H2O H2 3 0.423800 1.0079 0 - 9076 H2O 2354 H2O O1 4 -0.847600 15.9994 0 - 9077 H2O 2354 H2O H1 3 0.423800 1.0079 0 - 9078 H2O 2354 H2O H2 3 0.423800 1.0079 0 - 9079 H2O 2355 H2O O1 4 -0.847600 15.9994 0 - 9080 H2O 2355 H2O H1 3 0.423800 1.0079 0 - 9081 H2O 2355 H2O H2 3 0.423800 1.0079 0 - 9082 H2O 2356 H2O O1 4 -0.847600 15.9994 0 - 9083 H2O 2356 H2O H1 3 0.423800 1.0079 0 - 9084 H2O 2356 H2O H2 3 0.423800 1.0079 0 - 9085 H2O 2357 H2O O1 4 -0.847600 15.9994 0 - 9086 H2O 2357 H2O H1 3 0.423800 1.0079 0 - 9087 H2O 2357 H2O H2 3 0.423800 1.0079 0 - 9088 H2O 2358 H2O O1 4 -0.847600 15.9994 0 - 9089 H2O 2358 H2O H1 3 0.423800 1.0079 0 - 9090 H2O 2358 H2O H2 3 0.423800 1.0079 0 - 9091 H2O 2359 H2O O1 4 -0.847600 15.9994 0 - 9092 H2O 2359 H2O H1 3 0.423800 1.0079 0 - 9093 H2O 2359 H2O H2 3 0.423800 1.0079 0 - 9094 H2O 2360 H2O O1 4 -0.847600 15.9994 0 - 9095 H2O 2360 H2O H1 3 0.423800 1.0079 0 - 9096 H2O 2360 H2O H2 3 0.423800 1.0079 0 - 9097 H2O 2361 H2O O1 4 -0.847600 15.9994 0 - 9098 H2O 2361 H2O H1 3 0.423800 1.0079 0 - 9099 H2O 2361 H2O H2 3 0.423800 1.0079 0 - 9100 H2O 2362 H2O O1 4 -0.847600 15.9994 0 - 9101 H2O 2362 H2O H1 3 0.423800 1.0079 0 - 9102 H2O 2362 H2O H2 3 0.423800 1.0079 0 - 9103 H2O 2363 H2O O1 4 -0.847600 15.9994 0 - 9104 H2O 2363 H2O H1 3 0.423800 1.0079 0 - 9105 H2O 2363 H2O H2 3 0.423800 1.0079 0 - 9106 H2O 2364 H2O O1 4 -0.847600 15.9994 0 - 9107 H2O 2364 H2O H1 3 0.423800 1.0079 0 - 9108 H2O 2364 H2O H2 3 0.423800 1.0079 0 - 9109 H2O 2365 H2O O1 4 -0.847600 15.9994 0 - 9110 H2O 2365 H2O H1 3 0.423800 1.0079 0 - 9111 H2O 2365 H2O H2 3 0.423800 1.0079 0 - 9112 H2O 2366 H2O O1 4 -0.847600 15.9994 0 - 9113 H2O 2366 H2O H1 3 0.423800 1.0079 0 - 9114 H2O 2366 H2O H2 3 0.423800 1.0079 0 - 9115 H2O 2367 H2O O1 4 -0.847600 15.9994 0 - 9116 H2O 2367 H2O H1 3 0.423800 1.0079 0 - 9117 H2O 2367 H2O H2 3 0.423800 1.0079 0 - 9118 H2O 2368 H2O O1 4 -0.847600 15.9994 0 - 9119 H2O 2368 H2O H1 3 0.423800 1.0079 0 - 9120 H2O 2368 H2O H2 3 0.423800 1.0079 0 - 9121 H2O 2369 H2O O1 4 -0.847600 15.9994 0 - 9122 H2O 2369 H2O H1 3 0.423800 1.0079 0 - 9123 H2O 2369 H2O H2 3 0.423800 1.0079 0 - 9124 H2O 2370 H2O O1 4 -0.847600 15.9994 0 - 9125 H2O 2370 H2O H1 3 0.423800 1.0079 0 - 9126 H2O 2370 H2O H2 3 0.423800 1.0079 0 - 9127 H2O 2371 H2O O1 4 -0.847600 15.9994 0 - 9128 H2O 2371 H2O H1 3 0.423800 1.0079 0 - 9129 H2O 2371 H2O H2 3 0.423800 1.0079 0 - 9130 H2O 2372 H2O O1 4 -0.847600 15.9994 0 - 9131 H2O 2372 H2O H1 3 0.423800 1.0079 0 - 9132 H2O 2372 H2O H2 3 0.423800 1.0079 0 - 9133 H2O 2373 H2O O1 4 -0.847600 15.9994 0 - 9134 H2O 2373 H2O H1 3 0.423800 1.0079 0 - 9135 H2O 2373 H2O H2 3 0.423800 1.0079 0 - 9136 H2O 2374 H2O O1 4 -0.847600 15.9994 0 - 9137 H2O 2374 H2O H1 3 0.423800 1.0079 0 - 9138 H2O 2374 H2O H2 3 0.423800 1.0079 0 - 9139 H2O 2375 H2O O1 4 -0.847600 15.9994 0 - 9140 H2O 2375 H2O H1 3 0.423800 1.0079 0 - 9141 H2O 2375 H2O H2 3 0.423800 1.0079 0 - 9142 H2O 2376 H2O O1 4 -0.847600 15.9994 0 - 9143 H2O 2376 H2O H1 3 0.423800 1.0079 0 - 9144 H2O 2376 H2O H2 3 0.423800 1.0079 0 - 9145 H2O 2377 H2O O1 4 -0.847600 15.9994 0 - 9146 H2O 2377 H2O H1 3 0.423800 1.0079 0 - 9147 H2O 2377 H2O H2 3 0.423800 1.0079 0 - 9148 H2O 2378 H2O O1 4 -0.847600 15.9994 0 - 9149 H2O 2378 H2O H1 3 0.423800 1.0079 0 - 9150 H2O 2378 H2O H2 3 0.423800 1.0079 0 - 9151 H2O 2379 H2O O1 4 -0.847600 15.9994 0 - 9152 H2O 2379 H2O H1 3 0.423800 1.0079 0 - 9153 H2O 2379 H2O H2 3 0.423800 1.0079 0 - 9154 H2O 2380 H2O O1 4 -0.847600 15.9994 0 - 9155 H2O 2380 H2O H1 3 0.423800 1.0079 0 - 9156 H2O 2380 H2O H2 3 0.423800 1.0079 0 - 9157 H2O 2381 H2O O1 4 -0.847600 15.9994 0 - 9158 H2O 2381 H2O H1 3 0.423800 1.0079 0 - 9159 H2O 2381 H2O H2 3 0.423800 1.0079 0 - 9160 H2O 2382 H2O O1 4 -0.847600 15.9994 0 - 9161 H2O 2382 H2O H1 3 0.423800 1.0079 0 - 9162 H2O 2382 H2O H2 3 0.423800 1.0079 0 - 9163 H2O 2383 H2O O1 4 -0.847600 15.9994 0 - 9164 H2O 2383 H2O H1 3 0.423800 1.0079 0 - 9165 H2O 2383 H2O H2 3 0.423800 1.0079 0 - 9166 H2O 2384 H2O O1 4 -0.847600 15.9994 0 - 9167 H2O 2384 H2O H1 3 0.423800 1.0079 0 - 9168 H2O 2384 H2O H2 3 0.423800 1.0079 0 - 9169 H2O 2385 H2O O1 4 -0.847600 15.9994 0 - 9170 H2O 2385 H2O H1 3 0.423800 1.0079 0 - 9171 H2O 2385 H2O H2 3 0.423800 1.0079 0 - 9172 H2O 2386 H2O O1 4 -0.847600 15.9994 0 - 9173 H2O 2386 H2O H1 3 0.423800 1.0079 0 - 9174 H2O 2386 H2O H2 3 0.423800 1.0079 0 - 9175 H2O 2387 H2O O1 4 -0.847600 15.9994 0 - 9176 H2O 2387 H2O H1 3 0.423800 1.0079 0 - 9177 H2O 2387 H2O H2 3 0.423800 1.0079 0 - 9178 H2O 2388 H2O O1 4 -0.847600 15.9994 0 - 9179 H2O 2388 H2O H1 3 0.423800 1.0079 0 - 9180 H2O 2388 H2O H2 3 0.423800 1.0079 0 - 9181 H2O 2389 H2O O1 4 -0.847600 15.9994 0 - 9182 H2O 2389 H2O H1 3 0.423800 1.0079 0 - 9183 H2O 2389 H2O H2 3 0.423800 1.0079 0 - 9184 H2O 2390 H2O O1 4 -0.847600 15.9994 0 - 9185 H2O 2390 H2O H1 3 0.423800 1.0079 0 - 9186 H2O 2390 H2O H2 3 0.423800 1.0079 0 - 9187 H2O 2391 H2O O1 4 -0.847600 15.9994 0 - 9188 H2O 2391 H2O H1 3 0.423800 1.0079 0 - 9189 H2O 2391 H2O H2 3 0.423800 1.0079 0 - 9190 H2O 2392 H2O O1 4 -0.847600 15.9994 0 - 9191 H2O 2392 H2O H1 3 0.423800 1.0079 0 - 9192 H2O 2392 H2O H2 3 0.423800 1.0079 0 - 9193 H2O 2393 H2O O1 4 -0.847600 15.9994 0 - 9194 H2O 2393 H2O H1 3 0.423800 1.0079 0 - 9195 H2O 2393 H2O H2 3 0.423800 1.0079 0 - 9196 H2O 2394 H2O O1 4 -0.847600 15.9994 0 - 9197 H2O 2394 H2O H1 3 0.423800 1.0079 0 - 9198 H2O 2394 H2O H2 3 0.423800 1.0079 0 - 9199 H2O 2395 H2O O1 4 -0.847600 15.9994 0 - 9200 H2O 2395 H2O H1 3 0.423800 1.0079 0 - 9201 H2O 2395 H2O H2 3 0.423800 1.0079 0 - 9202 H2O 2396 H2O O1 4 -0.847600 15.9994 0 - 9203 H2O 2396 H2O H1 3 0.423800 1.0079 0 - 9204 H2O 2396 H2O H2 3 0.423800 1.0079 0 - 9205 H2O 2397 H2O O1 4 -0.847600 15.9994 0 - 9206 H2O 2397 H2O H1 3 0.423800 1.0079 0 - 9207 H2O 2397 H2O H2 3 0.423800 1.0079 0 - 9208 H2O 2398 H2O O1 4 -0.847600 15.9994 0 - 9209 H2O 2398 H2O H1 3 0.423800 1.0079 0 - 9210 H2O 2398 H2O H2 3 0.423800 1.0079 0 - 9211 H2O 2399 H2O O1 4 -0.847600 15.9994 0 - 9212 H2O 2399 H2O H1 3 0.423800 1.0079 0 - 9213 H2O 2399 H2O H2 3 0.423800 1.0079 0 - 9214 H2O 2400 H2O O1 4 -0.847600 15.9994 0 - 9215 H2O 2400 H2O H1 3 0.423800 1.0079 0 - 9216 H2O 2400 H2O H2 3 0.423800 1.0079 0 - 9217 H2O 2401 H2O O1 4 -0.847600 15.9994 0 - 9218 H2O 2401 H2O H1 3 0.423800 1.0079 0 - 9219 H2O 2401 H2O H2 3 0.423800 1.0079 0 - 9220 H2O 2402 H2O O1 4 -0.847600 15.9994 0 - 9221 H2O 2402 H2O H1 3 0.423800 1.0079 0 - 9222 H2O 2402 H2O H2 3 0.423800 1.0079 0 - 9223 H2O 2403 H2O O1 4 -0.847600 15.9994 0 - 9224 H2O 2403 H2O H1 3 0.423800 1.0079 0 - 9225 H2O 2403 H2O H2 3 0.423800 1.0079 0 - 9226 H2O 2404 H2O O1 4 -0.847600 15.9994 0 - 9227 H2O 2404 H2O H1 3 0.423800 1.0079 0 - 9228 H2O 2404 H2O H2 3 0.423800 1.0079 0 - 9229 H2O 2405 H2O O1 4 -0.847600 15.9994 0 - 9230 H2O 2405 H2O H1 3 0.423800 1.0079 0 - 9231 H2O 2405 H2O H2 3 0.423800 1.0079 0 - 9232 H2O 2406 H2O O1 4 -0.847600 15.9994 0 - 9233 H2O 2406 H2O H1 3 0.423800 1.0079 0 - 9234 H2O 2406 H2O H2 3 0.423800 1.0079 0 - 9235 H2O 2407 H2O O1 4 -0.847600 15.9994 0 - 9236 H2O 2407 H2O H1 3 0.423800 1.0079 0 - 9237 H2O 2407 H2O H2 3 0.423800 1.0079 0 - 9238 H2O 2408 H2O O1 4 -0.847600 15.9994 0 - 9239 H2O 2408 H2O H1 3 0.423800 1.0079 0 - 9240 H2O 2408 H2O H2 3 0.423800 1.0079 0 - 9241 H2O 2409 H2O O1 4 -0.847600 15.9994 0 - 9242 H2O 2409 H2O H1 3 0.423800 1.0079 0 - 9243 H2O 2409 H2O H2 3 0.423800 1.0079 0 - 9244 H2O 2410 H2O O1 4 -0.847600 15.9994 0 - 9245 H2O 2410 H2O H1 3 0.423800 1.0079 0 - 9246 H2O 2410 H2O H2 3 0.423800 1.0079 0 - 9247 H2O 2411 H2O O1 4 -0.847600 15.9994 0 - 9248 H2O 2411 H2O H1 3 0.423800 1.0079 0 - 9249 H2O 2411 H2O H2 3 0.423800 1.0079 0 - 9250 H2O 2412 H2O O1 4 -0.847600 15.9994 0 - 9251 H2O 2412 H2O H1 3 0.423800 1.0079 0 - 9252 H2O 2412 H2O H2 3 0.423800 1.0079 0 - 9253 H2O 2413 H2O O1 4 -0.847600 15.9994 0 - 9254 H2O 2413 H2O H1 3 0.423800 1.0079 0 - 9255 H2O 2413 H2O H2 3 0.423800 1.0079 0 - 9256 H2O 2414 H2O O1 4 -0.847600 15.9994 0 - 9257 H2O 2414 H2O H1 3 0.423800 1.0079 0 - 9258 H2O 2414 H2O H2 3 0.423800 1.0079 0 - 9259 H2O 2415 H2O O1 4 -0.847600 15.9994 0 - 9260 H2O 2415 H2O H1 3 0.423800 1.0079 0 - 9261 H2O 2415 H2O H2 3 0.423800 1.0079 0 - 9262 H2O 2416 H2O O1 4 -0.847600 15.9994 0 - 9263 H2O 2416 H2O H1 3 0.423800 1.0079 0 - 9264 H2O 2416 H2O H2 3 0.423800 1.0079 0 - 9265 H2O 2417 H2O O1 4 -0.847600 15.9994 0 - 9266 H2O 2417 H2O H1 3 0.423800 1.0079 0 - 9267 H2O 2417 H2O H2 3 0.423800 1.0079 0 - 9268 H2O 2418 H2O O1 4 -0.847600 15.9994 0 - 9269 H2O 2418 H2O H1 3 0.423800 1.0079 0 - 9270 H2O 2418 H2O H2 3 0.423800 1.0079 0 - 9271 H2O 2419 H2O O1 4 -0.847600 15.9994 0 - 9272 H2O 2419 H2O H1 3 0.423800 1.0079 0 - 9273 H2O 2419 H2O H2 3 0.423800 1.0079 0 - 9274 H2O 2420 H2O O1 4 -0.847600 15.9994 0 - 9275 H2O 2420 H2O H1 3 0.423800 1.0079 0 - 9276 H2O 2420 H2O H2 3 0.423800 1.0079 0 - 9277 H2O 2421 H2O O1 4 -0.847600 15.9994 0 - 9278 H2O 2421 H2O H1 3 0.423800 1.0079 0 - 9279 H2O 2421 H2O H2 3 0.423800 1.0079 0 - 9280 H2O 2422 H2O O1 4 -0.847600 15.9994 0 - 9281 H2O 2422 H2O H1 3 0.423800 1.0079 0 - 9282 H2O 2422 H2O H2 3 0.423800 1.0079 0 - 9283 H2O 2423 H2O O1 4 -0.847600 15.9994 0 - 9284 H2O 2423 H2O H1 3 0.423800 1.0079 0 - 9285 H2O 2423 H2O H2 3 0.423800 1.0079 0 - 9286 H2O 2424 H2O O1 4 -0.847600 15.9994 0 - 9287 H2O 2424 H2O H1 3 0.423800 1.0079 0 - 9288 H2O 2424 H2O H2 3 0.423800 1.0079 0 - 9289 H2O 2425 H2O O1 4 -0.847600 15.9994 0 - 9290 H2O 2425 H2O H1 3 0.423800 1.0079 0 - 9291 H2O 2425 H2O H2 3 0.423800 1.0079 0 - 9292 H2O 2426 H2O O1 4 -0.847600 15.9994 0 - 9293 H2O 2426 H2O H1 3 0.423800 1.0079 0 - 9294 H2O 2426 H2O H2 3 0.423800 1.0079 0 - 9295 H2O 2427 H2O O1 4 -0.847600 15.9994 0 - 9296 H2O 2427 H2O H1 3 0.423800 1.0079 0 - 9297 H2O 2427 H2O H2 3 0.423800 1.0079 0 - 9298 H2O 2428 H2O O1 4 -0.847600 15.9994 0 - 9299 H2O 2428 H2O H1 3 0.423800 1.0079 0 - 9300 H2O 2428 H2O H2 3 0.423800 1.0079 0 - 9301 H2O 2429 H2O O1 4 -0.847600 15.9994 0 - 9302 H2O 2429 H2O H1 3 0.423800 1.0079 0 - 9303 H2O 2429 H2O H2 3 0.423800 1.0079 0 - 9304 H2O 2430 H2O O1 4 -0.847600 15.9994 0 - 9305 H2O 2430 H2O H1 3 0.423800 1.0079 0 - 9306 H2O 2430 H2O H2 3 0.423800 1.0079 0 - 9307 H2O 2431 H2O O1 4 -0.847600 15.9994 0 - 9308 H2O 2431 H2O H1 3 0.423800 1.0079 0 - 9309 H2O 2431 H2O H2 3 0.423800 1.0079 0 - 9310 H2O 2432 H2O O1 4 -0.847600 15.9994 0 - 9311 H2O 2432 H2O H1 3 0.423800 1.0079 0 - 9312 H2O 2432 H2O H2 3 0.423800 1.0079 0 - 9313 H2O 2433 H2O O1 4 -0.847600 15.9994 0 - 9314 H2O 2433 H2O H1 3 0.423800 1.0079 0 - 9315 H2O 2433 H2O H2 3 0.423800 1.0079 0 - 9316 H2O 2434 H2O O1 4 -0.847600 15.9994 0 - 9317 H2O 2434 H2O H1 3 0.423800 1.0079 0 - 9318 H2O 2434 H2O H2 3 0.423800 1.0079 0 - 9319 H2O 2435 H2O O1 4 -0.847600 15.9994 0 - 9320 H2O 2435 H2O H1 3 0.423800 1.0079 0 - 9321 H2O 2435 H2O H2 3 0.423800 1.0079 0 - 9322 H2O 2436 H2O O1 4 -0.847600 15.9994 0 - 9323 H2O 2436 H2O H1 3 0.423800 1.0079 0 - 9324 H2O 2436 H2O H2 3 0.423800 1.0079 0 - 9325 H2O 2437 H2O O1 4 -0.847600 15.9994 0 - 9326 H2O 2437 H2O H1 3 0.423800 1.0079 0 - 9327 H2O 2437 H2O H2 3 0.423800 1.0079 0 - 9328 H2O 2438 H2O O1 4 -0.847600 15.9994 0 - 9329 H2O 2438 H2O H1 3 0.423800 1.0079 0 - 9330 H2O 2438 H2O H2 3 0.423800 1.0079 0 - 9331 H2O 2439 H2O O1 4 -0.847600 15.9994 0 - 9332 H2O 2439 H2O H1 3 0.423800 1.0079 0 - 9333 H2O 2439 H2O H2 3 0.423800 1.0079 0 - 9334 H2O 2440 H2O O1 4 -0.847600 15.9994 0 - 9335 H2O 2440 H2O H1 3 0.423800 1.0079 0 - 9336 H2O 2440 H2O H2 3 0.423800 1.0079 0 - 9337 H2O 2441 H2O O1 4 -0.847600 15.9994 0 - 9338 H2O 2441 H2O H1 3 0.423800 1.0079 0 - 9339 H2O 2441 H2O H2 3 0.423800 1.0079 0 - 9340 H2O 2442 H2O O1 4 -0.847600 15.9994 0 - 9341 H2O 2442 H2O H1 3 0.423800 1.0079 0 - 9342 H2O 2442 H2O H2 3 0.423800 1.0079 0 - 9343 H2O 2443 H2O O1 4 -0.847600 15.9994 0 - 9344 H2O 2443 H2O H1 3 0.423800 1.0079 0 - 9345 H2O 2443 H2O H2 3 0.423800 1.0079 0 - 9346 H2O 2444 H2O O1 4 -0.847600 15.9994 0 - 9347 H2O 2444 H2O H1 3 0.423800 1.0079 0 - 9348 H2O 2444 H2O H2 3 0.423800 1.0079 0 - 9349 H2O 2445 H2O O1 4 -0.847600 15.9994 0 - 9350 H2O 2445 H2O H1 3 0.423800 1.0079 0 - 9351 H2O 2445 H2O H2 3 0.423800 1.0079 0 - 9352 H2O 2446 H2O O1 4 -0.847600 15.9994 0 - 9353 H2O 2446 H2O H1 3 0.423800 1.0079 0 - 9354 H2O 2446 H2O H2 3 0.423800 1.0079 0 - 9355 H2O 2447 H2O O1 4 -0.847600 15.9994 0 - 9356 H2O 2447 H2O H1 3 0.423800 1.0079 0 - 9357 H2O 2447 H2O H2 3 0.423800 1.0079 0 - 9358 H2O 2448 H2O O1 4 -0.847600 15.9994 0 - 9359 H2O 2448 H2O H1 3 0.423800 1.0079 0 - 9360 H2O 2448 H2O H2 3 0.423800 1.0079 0 - 9361 H2O 2449 H2O O1 4 -0.847600 15.9994 0 - 9362 H2O 2449 H2O H1 3 0.423800 1.0079 0 - 9363 H2O 2449 H2O H2 3 0.423800 1.0079 0 - 9364 H2O 2450 H2O O1 4 -0.847600 15.9994 0 - 9365 H2O 2450 H2O H1 3 0.423800 1.0079 0 - 9366 H2O 2450 H2O H2 3 0.423800 1.0079 0 - 9367 H2O 2451 H2O O1 4 -0.847600 15.9994 0 - 9368 H2O 2451 H2O H1 3 0.423800 1.0079 0 - 9369 H2O 2451 H2O H2 3 0.423800 1.0079 0 - 9370 H2O 2452 H2O O1 4 -0.847600 15.9994 0 - 9371 H2O 2452 H2O H1 3 0.423800 1.0079 0 - 9372 H2O 2452 H2O H2 3 0.423800 1.0079 0 - 9373 H2O 2453 H2O O1 4 -0.847600 15.9994 0 - 9374 H2O 2453 H2O H1 3 0.423800 1.0079 0 - 9375 H2O 2453 H2O H2 3 0.423800 1.0079 0 - 9376 H2O 2454 H2O O1 4 -0.847600 15.9994 0 - 9377 H2O 2454 H2O H1 3 0.423800 1.0079 0 - 9378 H2O 2454 H2O H2 3 0.423800 1.0079 0 - 9379 H2O 2455 H2O O1 4 -0.847600 15.9994 0 - 9380 H2O 2455 H2O H1 3 0.423800 1.0079 0 - 9381 H2O 2455 H2O H2 3 0.423800 1.0079 0 - 9382 H2O 2456 H2O O1 4 -0.847600 15.9994 0 - 9383 H2O 2456 H2O H1 3 0.423800 1.0079 0 - 9384 H2O 2456 H2O H2 3 0.423800 1.0079 0 - 9385 H2O 2457 H2O O1 4 -0.847600 15.9994 0 - 9386 H2O 2457 H2O H1 3 0.423800 1.0079 0 - 9387 H2O 2457 H2O H2 3 0.423800 1.0079 0 - 9388 H2O 2458 H2O O1 4 -0.847600 15.9994 0 - 9389 H2O 2458 H2O H1 3 0.423800 1.0079 0 - 9390 H2O 2458 H2O H2 3 0.423800 1.0079 0 - 9391 H2O 2459 H2O O1 4 -0.847600 15.9994 0 - 9392 H2O 2459 H2O H1 3 0.423800 1.0079 0 - 9393 H2O 2459 H2O H2 3 0.423800 1.0079 0 - 9394 H2O 2460 H2O O1 4 -0.847600 15.9994 0 - 9395 H2O 2460 H2O H1 3 0.423800 1.0079 0 - 9396 H2O 2460 H2O H2 3 0.423800 1.0079 0 - 9397 H2O 2461 H2O O1 4 -0.847600 15.9994 0 - 9398 H2O 2461 H2O H1 3 0.423800 1.0079 0 - 9399 H2O 2461 H2O H2 3 0.423800 1.0079 0 - 9400 H2O 2462 H2O O1 4 -0.847600 15.9994 0 - 9401 H2O 2462 H2O H1 3 0.423800 1.0079 0 - 9402 H2O 2462 H2O H2 3 0.423800 1.0079 0 - 9403 H2O 2463 H2O O1 4 -0.847600 15.9994 0 - 9404 H2O 2463 H2O H1 3 0.423800 1.0079 0 - 9405 H2O 2463 H2O H2 3 0.423800 1.0079 0 - 9406 H2O 2464 H2O O1 4 -0.847600 15.9994 0 - 9407 H2O 2464 H2O H1 3 0.423800 1.0079 0 - 9408 H2O 2464 H2O H2 3 0.423800 1.0079 0 - 9409 H2O 2465 H2O O1 4 -0.847600 15.9994 0 - 9410 H2O 2465 H2O H1 3 0.423800 1.0079 0 - 9411 H2O 2465 H2O H2 3 0.423800 1.0079 0 - 9412 H2O 2466 H2O O1 4 -0.847600 15.9994 0 - 9413 H2O 2466 H2O H1 3 0.423800 1.0079 0 - 9414 H2O 2466 H2O H2 3 0.423800 1.0079 0 - 9415 H2O 2467 H2O O1 4 -0.847600 15.9994 0 - 9416 H2O 2467 H2O H1 3 0.423800 1.0079 0 - 9417 H2O 2467 H2O H2 3 0.423800 1.0079 0 - 9418 H2O 2468 H2O O1 4 -0.847600 15.9994 0 - 9419 H2O 2468 H2O H1 3 0.423800 1.0079 0 - 9420 H2O 2468 H2O H2 3 0.423800 1.0079 0 - 9421 H2O 2469 H2O O1 4 -0.847600 15.9994 0 - 9422 H2O 2469 H2O H1 3 0.423800 1.0079 0 - 9423 H2O 2469 H2O H2 3 0.423800 1.0079 0 - 9424 H2O 2470 H2O O1 4 -0.847600 15.9994 0 - 9425 H2O 2470 H2O H1 3 0.423800 1.0079 0 - 9426 H2O 2470 H2O H2 3 0.423800 1.0079 0 - 9427 H2O 2471 H2O O1 4 -0.847600 15.9994 0 - 9428 H2O 2471 H2O H1 3 0.423800 1.0079 0 - 9429 H2O 2471 H2O H2 3 0.423800 1.0079 0 - 9430 H2O 2472 H2O O1 4 -0.847600 15.9994 0 - 9431 H2O 2472 H2O H1 3 0.423800 1.0079 0 - 9432 H2O 2472 H2O H2 3 0.423800 1.0079 0 - 9433 H2O 2473 H2O O1 4 -0.847600 15.9994 0 - 9434 H2O 2473 H2O H1 3 0.423800 1.0079 0 - 9435 H2O 2473 H2O H2 3 0.423800 1.0079 0 - 9436 H2O 2474 H2O O1 4 -0.847600 15.9994 0 - 9437 H2O 2474 H2O H1 3 0.423800 1.0079 0 - 9438 H2O 2474 H2O H2 3 0.423800 1.0079 0 - 9439 H2O 2475 H2O O1 4 -0.847600 15.9994 0 - 9440 H2O 2475 H2O H1 3 0.423800 1.0079 0 - 9441 H2O 2475 H2O H2 3 0.423800 1.0079 0 - 9442 H2O 2476 H2O O1 4 -0.847600 15.9994 0 - 9443 H2O 2476 H2O H1 3 0.423800 1.0079 0 - 9444 H2O 2476 H2O H2 3 0.423800 1.0079 0 - 9445 H2O 2477 H2O O1 4 -0.847600 15.9994 0 - 9446 H2O 2477 H2O H1 3 0.423800 1.0079 0 - 9447 H2O 2477 H2O H2 3 0.423800 1.0079 0 - 9448 H2O 2478 H2O O1 4 -0.847600 15.9994 0 - 9449 H2O 2478 H2O H1 3 0.423800 1.0079 0 - 9450 H2O 2478 H2O H2 3 0.423800 1.0079 0 - 9451 H2O 2479 H2O O1 4 -0.847600 15.9994 0 - 9452 H2O 2479 H2O H1 3 0.423800 1.0079 0 - 9453 H2O 2479 H2O H2 3 0.423800 1.0079 0 - 9454 H2O 2480 H2O O1 4 -0.847600 15.9994 0 - 9455 H2O 2480 H2O H1 3 0.423800 1.0079 0 - 9456 H2O 2480 H2O H2 3 0.423800 1.0079 0 - 9457 H2O 2481 H2O O1 4 -0.847600 15.9994 0 - 9458 H2O 2481 H2O H1 3 0.423800 1.0079 0 - 9459 H2O 2481 H2O H2 3 0.423800 1.0079 0 - 9460 H2O 2482 H2O O1 4 -0.847600 15.9994 0 - 9461 H2O 2482 H2O H1 3 0.423800 1.0079 0 - 9462 H2O 2482 H2O H2 3 0.423800 1.0079 0 - 9463 H2O 2483 H2O O1 4 -0.847600 15.9994 0 - 9464 H2O 2483 H2O H1 3 0.423800 1.0079 0 - 9465 H2O 2483 H2O H2 3 0.423800 1.0079 0 - 9466 H2O 2484 H2O O1 4 -0.847600 15.9994 0 - 9467 H2O 2484 H2O H1 3 0.423800 1.0079 0 - 9468 H2O 2484 H2O H2 3 0.423800 1.0079 0 - 9469 H2O 2485 H2O O1 4 -0.847600 15.9994 0 - 9470 H2O 2485 H2O H1 3 0.423800 1.0079 0 - 9471 H2O 2485 H2O H2 3 0.423800 1.0079 0 - 9472 H2O 2486 H2O O1 4 -0.847600 15.9994 0 - 9473 H2O 2486 H2O H1 3 0.423800 1.0079 0 - 9474 H2O 2486 H2O H2 3 0.423800 1.0079 0 - 9475 H2O 2487 H2O O1 4 -0.847600 15.9994 0 - 9476 H2O 2487 H2O H1 3 0.423800 1.0079 0 - 9477 H2O 2487 H2O H2 3 0.423800 1.0079 0 - 9478 H2O 2488 H2O O1 4 -0.847600 15.9994 0 - 9479 H2O 2488 H2O H1 3 0.423800 1.0079 0 - 9480 H2O 2488 H2O H2 3 0.423800 1.0079 0 - 9481 H2O 2489 H2O O1 4 -0.847600 15.9994 0 - 9482 H2O 2489 H2O H1 3 0.423800 1.0079 0 - 9483 H2O 2489 H2O H2 3 0.423800 1.0079 0 - 9484 H2O 2490 H2O O1 4 -0.847600 15.9994 0 - 9485 H2O 2490 H2O H1 3 0.423800 1.0079 0 - 9486 H2O 2490 H2O H2 3 0.423800 1.0079 0 - 9487 H2O 2491 H2O O1 4 -0.847600 15.9994 0 - 9488 H2O 2491 H2O H1 3 0.423800 1.0079 0 - 9489 H2O 2491 H2O H2 3 0.423800 1.0079 0 - 9490 H2O 2492 H2O O1 4 -0.847600 15.9994 0 - 9491 H2O 2492 H2O H1 3 0.423800 1.0079 0 - 9492 H2O 2492 H2O H2 3 0.423800 1.0079 0 - 9493 H2O 2493 H2O O1 4 -0.847600 15.9994 0 - 9494 H2O 2493 H2O H1 3 0.423800 1.0079 0 - 9495 H2O 2493 H2O H2 3 0.423800 1.0079 0 - 9496 H2O 2494 H2O O1 4 -0.847600 15.9994 0 - 9497 H2O 2494 H2O H1 3 0.423800 1.0079 0 - 9498 H2O 2494 H2O H2 3 0.423800 1.0079 0 - 9499 H2O 2495 H2O O1 4 -0.847600 15.9994 0 - 9500 H2O 2495 H2O H1 3 0.423800 1.0079 0 - 9501 H2O 2495 H2O H2 3 0.423800 1.0079 0 - 9502 H2O 2496 H2O O1 4 -0.847600 15.9994 0 - 9503 H2O 2496 H2O H1 3 0.423800 1.0079 0 - 9504 H2O 2496 H2O H2 3 0.423800 1.0079 0 - 9505 H2O 2497 H2O O1 4 -0.847600 15.9994 0 - 9506 H2O 2497 H2O H1 3 0.423800 1.0079 0 - 9507 H2O 2497 H2O H2 3 0.423800 1.0079 0 - 9508 H2O 2498 H2O O1 4 -0.847600 15.9994 0 - 9509 H2O 2498 H2O H1 3 0.423800 1.0079 0 - 9510 H2O 2498 H2O H2 3 0.423800 1.0079 0 - 9511 H2O 2499 H2O O1 4 -0.847600 15.9994 0 - 9512 H2O 2499 H2O H1 3 0.423800 1.0079 0 - 9513 H2O 2499 H2O H2 3 0.423800 1.0079 0 - 9514 H2O 2500 H2O O1 4 -0.847600 15.9994 0 - 9515 H2O 2500 H2O H1 3 0.423800 1.0079 0 - 9516 H2O 2500 H2O H2 3 0.423800 1.0079 0 - 9517 H2O 2501 H2O O1 4 -0.847600 15.9994 0 - 9518 H2O 2501 H2O H1 3 0.423800 1.0079 0 - 9519 H2O 2501 H2O H2 3 0.423800 1.0079 0 - 9520 H2O 2502 H2O O1 4 -0.847600 15.9994 0 - 9521 H2O 2502 H2O H1 3 0.423800 1.0079 0 - 9522 H2O 2502 H2O H2 3 0.423800 1.0079 0 - 9523 H2O 2503 H2O O1 4 -0.847600 15.9994 0 - 9524 H2O 2503 H2O H1 3 0.423800 1.0079 0 - 9525 H2O 2503 H2O H2 3 0.423800 1.0079 0 - 9526 H2O 2504 H2O O1 4 -0.847600 15.9994 0 - 9527 H2O 2504 H2O H1 3 0.423800 1.0079 0 - 9528 H2O 2504 H2O H2 3 0.423800 1.0079 0 - 9529 H2O 2505 H2O O1 4 -0.847600 15.9994 0 - 9530 H2O 2505 H2O H1 3 0.423800 1.0079 0 - 9531 H2O 2505 H2O H2 3 0.423800 1.0079 0 - 9532 H2O 2506 H2O O1 4 -0.847600 15.9994 0 - 9533 H2O 2506 H2O H1 3 0.423800 1.0079 0 - 9534 H2O 2506 H2O H2 3 0.423800 1.0079 0 - 9535 H2O 2507 H2O O1 4 -0.847600 15.9994 0 - 9536 H2O 2507 H2O H1 3 0.423800 1.0079 0 - 9537 H2O 2507 H2O H2 3 0.423800 1.0079 0 - 9538 H2O 2508 H2O O1 4 -0.847600 15.9994 0 - 9539 H2O 2508 H2O H1 3 0.423800 1.0079 0 - 9540 H2O 2508 H2O H2 3 0.423800 1.0079 0 - 9541 H2O 2509 H2O O1 4 -0.847600 15.9994 0 - 9542 H2O 2509 H2O H1 3 0.423800 1.0079 0 - 9543 H2O 2509 H2O H2 3 0.423800 1.0079 0 - 9544 H2O 2510 H2O O1 4 -0.847600 15.9994 0 - 9545 H2O 2510 H2O H1 3 0.423800 1.0079 0 - 9546 H2O 2510 H2O H2 3 0.423800 1.0079 0 - 9547 H2O 2511 H2O O1 4 -0.847600 15.9994 0 - 9548 H2O 2511 H2O H1 3 0.423800 1.0079 0 - 9549 H2O 2511 H2O H2 3 0.423800 1.0079 0 - 9550 H2O 2512 H2O O1 4 -0.847600 15.9994 0 - 9551 H2O 2512 H2O H1 3 0.423800 1.0079 0 - 9552 H2O 2512 H2O H2 3 0.423800 1.0079 0 - 9553 H2O 2513 H2O O1 4 -0.847600 15.9994 0 - 9554 H2O 2513 H2O H1 3 0.423800 1.0079 0 - 9555 H2O 2513 H2O H2 3 0.423800 1.0079 0 - 9556 H2O 2514 H2O O1 4 -0.847600 15.9994 0 - 9557 H2O 2514 H2O H1 3 0.423800 1.0079 0 - 9558 H2O 2514 H2O H2 3 0.423800 1.0079 0 - 9559 H2O 2515 H2O O1 4 -0.847600 15.9994 0 - 9560 H2O 2515 H2O H1 3 0.423800 1.0079 0 - 9561 H2O 2515 H2O H2 3 0.423800 1.0079 0 - 9562 H2O 2516 H2O O1 4 -0.847600 15.9994 0 - 9563 H2O 2516 H2O H1 3 0.423800 1.0079 0 - 9564 H2O 2516 H2O H2 3 0.423800 1.0079 0 - 9565 H2O 2517 H2O O1 4 -0.847600 15.9994 0 - 9566 H2O 2517 H2O H1 3 0.423800 1.0079 0 - 9567 H2O 2517 H2O H2 3 0.423800 1.0079 0 - 9568 H2O 2518 H2O O1 4 -0.847600 15.9994 0 - 9569 H2O 2518 H2O H1 3 0.423800 1.0079 0 - 9570 H2O 2518 H2O H2 3 0.423800 1.0079 0 - 9571 H2O 2519 H2O O1 4 -0.847600 15.9994 0 - 9572 H2O 2519 H2O H1 3 0.423800 1.0079 0 - 9573 H2O 2519 H2O H2 3 0.423800 1.0079 0 - 9574 H2O 2520 H2O O1 4 -0.847600 15.9994 0 - 9575 H2O 2520 H2O H1 3 0.423800 1.0079 0 - 9576 H2O 2520 H2O H2 3 0.423800 1.0079 0 - 9577 H2O 2521 H2O O1 4 -0.847600 15.9994 0 - 9578 H2O 2521 H2O H1 3 0.423800 1.0079 0 - 9579 H2O 2521 H2O H2 3 0.423800 1.0079 0 - 9580 H2O 2522 H2O O1 4 -0.847600 15.9994 0 - 9581 H2O 2522 H2O H1 3 0.423800 1.0079 0 - 9582 H2O 2522 H2O H2 3 0.423800 1.0079 0 - 9583 H2O 2523 H2O O1 4 -0.847600 15.9994 0 - 9584 H2O 2523 H2O H1 3 0.423800 1.0079 0 - 9585 H2O 2523 H2O H2 3 0.423800 1.0079 0 - 9586 H2O 2524 H2O O1 4 -0.847600 15.9994 0 - 9587 H2O 2524 H2O H1 3 0.423800 1.0079 0 - 9588 H2O 2524 H2O H2 3 0.423800 1.0079 0 - 9589 H2O 2525 H2O O1 4 -0.847600 15.9994 0 - 9590 H2O 2525 H2O H1 3 0.423800 1.0079 0 - 9591 H2O 2525 H2O H2 3 0.423800 1.0079 0 - 9592 H2O 2526 H2O O1 4 -0.847600 15.9994 0 - 9593 H2O 2526 H2O H1 3 0.423800 1.0079 0 - 9594 H2O 2526 H2O H2 3 0.423800 1.0079 0 - 9595 H2O 2527 H2O O1 4 -0.847600 15.9994 0 - 9596 H2O 2527 H2O H1 3 0.423800 1.0079 0 - 9597 H2O 2527 H2O H2 3 0.423800 1.0079 0 - 9598 H2O 2528 H2O O1 4 -0.847600 15.9994 0 - 9599 H2O 2528 H2O H1 3 0.423800 1.0079 0 - 9600 H2O 2528 H2O H2 3 0.423800 1.0079 0 - 9601 H2O 2529 H2O O1 4 -0.847600 15.9994 0 - 9602 H2O 2529 H2O H1 3 0.423800 1.0079 0 - 9603 H2O 2529 H2O H2 3 0.423800 1.0079 0 - 9604 H2O 2530 H2O O1 4 -0.847600 15.9994 0 - 9605 H2O 2530 H2O H1 3 0.423800 1.0079 0 - 9606 H2O 2530 H2O H2 3 0.423800 1.0079 0 - 9607 H2O 2531 H2O O1 4 -0.847600 15.9994 0 - 9608 H2O 2531 H2O H1 3 0.423800 1.0079 0 - 9609 H2O 2531 H2O H2 3 0.423800 1.0079 0 - 9610 H2O 2532 H2O O1 4 -0.847600 15.9994 0 - 9611 H2O 2532 H2O H1 3 0.423800 1.0079 0 - 9612 H2O 2532 H2O H2 3 0.423800 1.0079 0 - 9613 H2O 2533 H2O O1 4 -0.847600 15.9994 0 - 9614 H2O 2533 H2O H1 3 0.423800 1.0079 0 - 9615 H2O 2533 H2O H2 3 0.423800 1.0079 0 - 9616 H2O 2534 H2O O1 4 -0.847600 15.9994 0 - 9617 H2O 2534 H2O H1 3 0.423800 1.0079 0 - 9618 H2O 2534 H2O H2 3 0.423800 1.0079 0 - 9619 H2O 2535 H2O O1 4 -0.847600 15.9994 0 - 9620 H2O 2535 H2O H1 3 0.423800 1.0079 0 - 9621 H2O 2535 H2O H2 3 0.423800 1.0079 0 - 9622 H2O 2536 H2O O1 4 -0.847600 15.9994 0 - 9623 H2O 2536 H2O H1 3 0.423800 1.0079 0 - 9624 H2O 2536 H2O H2 3 0.423800 1.0079 0 - 9625 H2O 2537 H2O O1 4 -0.847600 15.9994 0 - 9626 H2O 2537 H2O H1 3 0.423800 1.0079 0 - 9627 H2O 2537 H2O H2 3 0.423800 1.0079 0 - 9628 H2O 2538 H2O O1 4 -0.847600 15.9994 0 - 9629 H2O 2538 H2O H1 3 0.423800 1.0079 0 - 9630 H2O 2538 H2O H2 3 0.423800 1.0079 0 - 9631 H2O 2539 H2O O1 4 -0.847600 15.9994 0 - 9632 H2O 2539 H2O H1 3 0.423800 1.0079 0 - 9633 H2O 2539 H2O H2 3 0.423800 1.0079 0 - 9634 H2O 2540 H2O O1 4 -0.847600 15.9994 0 - 9635 H2O 2540 H2O H1 3 0.423800 1.0079 0 - 9636 H2O 2540 H2O H2 3 0.423800 1.0079 0 - 9637 H2O 2541 H2O O1 4 -0.847600 15.9994 0 - 9638 H2O 2541 H2O H1 3 0.423800 1.0079 0 - 9639 H2O 2541 H2O H2 3 0.423800 1.0079 0 - 9640 H2O 2542 H2O O1 4 -0.847600 15.9994 0 - 9641 H2O 2542 H2O H1 3 0.423800 1.0079 0 - 9642 H2O 2542 H2O H2 3 0.423800 1.0079 0 - 9643 H2O 2543 H2O O1 4 -0.847600 15.9994 0 - 9644 H2O 2543 H2O H1 3 0.423800 1.0079 0 - 9645 H2O 2543 H2O H2 3 0.423800 1.0079 0 - 9646 H2O 2544 H2O O1 4 -0.847600 15.9994 0 - 9647 H2O 2544 H2O H1 3 0.423800 1.0079 0 - 9648 H2O 2544 H2O H2 3 0.423800 1.0079 0 - 9649 H2O 2545 H2O O1 4 -0.847600 15.9994 0 - 9650 H2O 2545 H2O H1 3 0.423800 1.0079 0 - 9651 H2O 2545 H2O H2 3 0.423800 1.0079 0 - 9652 H2O 2546 H2O O1 4 -0.847600 15.9994 0 - 9653 H2O 2546 H2O H1 3 0.423800 1.0079 0 - 9654 H2O 2546 H2O H2 3 0.423800 1.0079 0 - 9655 H2O 2547 H2O O1 4 -0.847600 15.9994 0 - 9656 H2O 2547 H2O H1 3 0.423800 1.0079 0 - 9657 H2O 2547 H2O H2 3 0.423800 1.0079 0 - 9658 H2O 2548 H2O O1 4 -0.847600 15.9994 0 - 9659 H2O 2548 H2O H1 3 0.423800 1.0079 0 - 9660 H2O 2548 H2O H2 3 0.423800 1.0079 0 - 9661 H2O 2549 H2O O1 4 -0.847600 15.9994 0 - 9662 H2O 2549 H2O H1 3 0.423800 1.0079 0 - 9663 H2O 2549 H2O H2 3 0.423800 1.0079 0 - 9664 H2O 2550 H2O O1 4 -0.847600 15.9994 0 - 9665 H2O 2550 H2O H1 3 0.423800 1.0079 0 - 9666 H2O 2550 H2O H2 3 0.423800 1.0079 0 - 9667 H2O 2551 H2O O1 4 -0.847600 15.9994 0 - 9668 H2O 2551 H2O H1 3 0.423800 1.0079 0 - 9669 H2O 2551 H2O H2 3 0.423800 1.0079 0 - 9670 H2O 2552 H2O O1 4 -0.847600 15.9994 0 - 9671 H2O 2552 H2O H1 3 0.423800 1.0079 0 - 9672 H2O 2552 H2O H2 3 0.423800 1.0079 0 - 9673 H2O 2553 H2O O1 4 -0.847600 15.9994 0 - 9674 H2O 2553 H2O H1 3 0.423800 1.0079 0 - 9675 H2O 2553 H2O H2 3 0.423800 1.0079 0 - 9676 H2O 2554 H2O O1 4 -0.847600 15.9994 0 - 9677 H2O 2554 H2O H1 3 0.423800 1.0079 0 - 9678 H2O 2554 H2O H2 3 0.423800 1.0079 0 - 9679 H2O 2555 H2O O1 4 -0.847600 15.9994 0 - 9680 H2O 2555 H2O H1 3 0.423800 1.0079 0 - 9681 H2O 2555 H2O H2 3 0.423800 1.0079 0 - 9682 H2O 2556 H2O O1 4 -0.847600 15.9994 0 - 9683 H2O 2556 H2O H1 3 0.423800 1.0079 0 - 9684 H2O 2556 H2O H2 3 0.423800 1.0079 0 - 9685 H2O 2557 H2O O1 4 -0.847600 15.9994 0 - 9686 H2O 2557 H2O H1 3 0.423800 1.0079 0 - 9687 H2O 2557 H2O H2 3 0.423800 1.0079 0 - 9688 H2O 2558 H2O O1 4 -0.847600 15.9994 0 - 9689 H2O 2558 H2O H1 3 0.423800 1.0079 0 - 9690 H2O 2558 H2O H2 3 0.423800 1.0079 0 - 9691 H2O 2559 H2O O1 4 -0.847600 15.9994 0 - 9692 H2O 2559 H2O H1 3 0.423800 1.0079 0 - 9693 H2O 2559 H2O H2 3 0.423800 1.0079 0 - 9694 H2O 2560 H2O O1 4 -0.847600 15.9994 0 - 9695 H2O 2560 H2O H1 3 0.423800 1.0079 0 - 9696 H2O 2560 H2O H2 3 0.423800 1.0079 0 - 9697 H2O 2561 H2O O1 4 -0.847600 15.9994 0 - 9698 H2O 2561 H2O H1 3 0.423800 1.0079 0 - 9699 H2O 2561 H2O H2 3 0.423800 1.0079 0 - 9700 H2O 2562 H2O O1 4 -0.847600 15.9994 0 - 9701 H2O 2562 H2O H1 3 0.423800 1.0079 0 - 9702 H2O 2562 H2O H2 3 0.423800 1.0079 0 - 9703 H2O 2563 H2O O1 4 -0.847600 15.9994 0 - 9704 H2O 2563 H2O H1 3 0.423800 1.0079 0 - 9705 H2O 2563 H2O H2 3 0.423800 1.0079 0 - 9706 H2O 2564 H2O O1 4 -0.847600 15.9994 0 - 9707 H2O 2564 H2O H1 3 0.423800 1.0079 0 - 9708 H2O 2564 H2O H2 3 0.423800 1.0079 0 - 9709 H2O 2565 H2O O1 4 -0.847600 15.9994 0 - 9710 H2O 2565 H2O H1 3 0.423800 1.0079 0 - 9711 H2O 2565 H2O H2 3 0.423800 1.0079 0 - 9712 H2O 2566 H2O O1 4 -0.847600 15.9994 0 - 9713 H2O 2566 H2O H1 3 0.423800 1.0079 0 - 9714 H2O 2566 H2O H2 3 0.423800 1.0079 0 - 9715 H2O 2567 H2O O1 4 -0.847600 15.9994 0 - 9716 H2O 2567 H2O H1 3 0.423800 1.0079 0 - 9717 H2O 2567 H2O H2 3 0.423800 1.0079 0 - 9718 H2O 2568 H2O O1 4 -0.847600 15.9994 0 - 9719 H2O 2568 H2O H1 3 0.423800 1.0079 0 - 9720 H2O 2568 H2O H2 3 0.423800 1.0079 0 - 9721 H2O 2569 H2O O1 4 -0.847600 15.9994 0 - 9722 H2O 2569 H2O H1 3 0.423800 1.0079 0 - 9723 H2O 2569 H2O H2 3 0.423800 1.0079 0 - 9724 H2O 2570 H2O O1 4 -0.847600 15.9994 0 - 9725 H2O 2570 H2O H1 3 0.423800 1.0079 0 - 9726 H2O 2570 H2O H2 3 0.423800 1.0079 0 - 9727 H2O 2571 H2O O1 4 -0.847600 15.9994 0 - 9728 H2O 2571 H2O H1 3 0.423800 1.0079 0 - 9729 H2O 2571 H2O H2 3 0.423800 1.0079 0 - 9730 H2O 2572 H2O O1 4 -0.847600 15.9994 0 - 9731 H2O 2572 H2O H1 3 0.423800 1.0079 0 - 9732 H2O 2572 H2O H2 3 0.423800 1.0079 0 - 9733 H2O 2573 H2O O1 4 -0.847600 15.9994 0 - 9734 H2O 2573 H2O H1 3 0.423800 1.0079 0 - 9735 H2O 2573 H2O H2 3 0.423800 1.0079 0 - 9736 H2O 2574 H2O O1 4 -0.847600 15.9994 0 - 9737 H2O 2574 H2O H1 3 0.423800 1.0079 0 - 9738 H2O 2574 H2O H2 3 0.423800 1.0079 0 - 9739 H2O 2575 H2O O1 4 -0.847600 15.9994 0 - 9740 H2O 2575 H2O H1 3 0.423800 1.0079 0 - 9741 H2O 2575 H2O H2 3 0.423800 1.0079 0 - 9742 H2O 2576 H2O O1 4 -0.847600 15.9994 0 - 9743 H2O 2576 H2O H1 3 0.423800 1.0079 0 - 9744 H2O 2576 H2O H2 3 0.423800 1.0079 0 - 9745 H2O 2577 H2O O1 4 -0.847600 15.9994 0 - 9746 H2O 2577 H2O H1 3 0.423800 1.0079 0 - 9747 H2O 2577 H2O H2 3 0.423800 1.0079 0 - 9748 H2O 2578 H2O O1 4 -0.847600 15.9994 0 - 9749 H2O 2578 H2O H1 3 0.423800 1.0079 0 - 9750 H2O 2578 H2O H2 3 0.423800 1.0079 0 - 9751 H2O 2579 H2O O1 4 -0.847600 15.9994 0 - 9752 H2O 2579 H2O H1 3 0.423800 1.0079 0 - 9753 H2O 2579 H2O H2 3 0.423800 1.0079 0 - 9754 H2O 2580 H2O O1 4 -0.847600 15.9994 0 - 9755 H2O 2580 H2O H1 3 0.423800 1.0079 0 - 9756 H2O 2580 H2O H2 3 0.423800 1.0079 0 - 9757 H2O 2581 H2O O1 4 -0.847600 15.9994 0 - 9758 H2O 2581 H2O H1 3 0.423800 1.0079 0 - 9759 H2O 2581 H2O H2 3 0.423800 1.0079 0 - 9760 H2O 2582 H2O O1 4 -0.847600 15.9994 0 - 9761 H2O 2582 H2O H1 3 0.423800 1.0079 0 - 9762 H2O 2582 H2O H2 3 0.423800 1.0079 0 - 9763 H2O 2583 H2O O1 4 -0.847600 15.9994 0 - 9764 H2O 2583 H2O H1 3 0.423800 1.0079 0 - 9765 H2O 2583 H2O H2 3 0.423800 1.0079 0 - 9766 H2O 2584 H2O O1 4 -0.847600 15.9994 0 - 9767 H2O 2584 H2O H1 3 0.423800 1.0079 0 - 9768 H2O 2584 H2O H2 3 0.423800 1.0079 0 - 9769 H2O 2585 H2O O1 4 -0.847600 15.9994 0 - 9770 H2O 2585 H2O H1 3 0.423800 1.0079 0 - 9771 H2O 2585 H2O H2 3 0.423800 1.0079 0 - 9772 H2O 2586 H2O O1 4 -0.847600 15.9994 0 - 9773 H2O 2586 H2O H1 3 0.423800 1.0079 0 - 9774 H2O 2586 H2O H2 3 0.423800 1.0079 0 - 9775 H2O 2587 H2O O1 4 -0.847600 15.9994 0 - 9776 H2O 2587 H2O H1 3 0.423800 1.0079 0 - 9777 H2O 2587 H2O H2 3 0.423800 1.0079 0 - 9778 H2O 2588 H2O O1 4 -0.847600 15.9994 0 - 9779 H2O 2588 H2O H1 3 0.423800 1.0079 0 - 9780 H2O 2588 H2O H2 3 0.423800 1.0079 0 - 9781 H2O 2589 H2O O1 4 -0.847600 15.9994 0 - 9782 H2O 2589 H2O H1 3 0.423800 1.0079 0 - 9783 H2O 2589 H2O H2 3 0.423800 1.0079 0 - 9784 H2O 2590 H2O O1 4 -0.847600 15.9994 0 - 9785 H2O 2590 H2O H1 3 0.423800 1.0079 0 - 9786 H2O 2590 H2O H2 3 0.423800 1.0079 0 - 9787 H2O 2591 H2O O1 4 -0.847600 15.9994 0 - 9788 H2O 2591 H2O H1 3 0.423800 1.0079 0 - 9789 H2O 2591 H2O H2 3 0.423800 1.0079 0 - 9790 H2O 2592 H2O O1 4 -0.847600 15.9994 0 - 9791 H2O 2592 H2O H1 3 0.423800 1.0079 0 - 9792 H2O 2592 H2O H2 3 0.423800 1.0079 0 - 9793 H2O 2593 H2O O1 4 -0.847600 15.9994 0 - 9794 H2O 2593 H2O H1 3 0.423800 1.0079 0 - 9795 H2O 2593 H2O H2 3 0.423800 1.0079 0 - 9796 H2O 2594 H2O O1 4 -0.847600 15.9994 0 - 9797 H2O 2594 H2O H1 3 0.423800 1.0079 0 - 9798 H2O 2594 H2O H2 3 0.423800 1.0079 0 - 9799 H2O 2595 H2O O1 4 -0.847600 15.9994 0 - 9800 H2O 2595 H2O H1 3 0.423800 1.0079 0 - 9801 H2O 2595 H2O H2 3 0.423800 1.0079 0 - 9802 H2O 2596 H2O O1 4 -0.847600 15.9994 0 - 9803 H2O 2596 H2O H1 3 0.423800 1.0079 0 - 9804 H2O 2596 H2O H2 3 0.423800 1.0079 0 - 9805 H2O 2597 H2O O1 4 -0.847600 15.9994 0 - 9806 H2O 2597 H2O H1 3 0.423800 1.0079 0 - 9807 H2O 2597 H2O H2 3 0.423800 1.0079 0 - 9808 H2O 2598 H2O O1 4 -0.847600 15.9994 0 - 9809 H2O 2598 H2O H1 3 0.423800 1.0079 0 - 9810 H2O 2598 H2O H2 3 0.423800 1.0079 0 - 9811 H2O 2599 H2O O1 4 -0.847600 15.9994 0 - 9812 H2O 2599 H2O H1 3 0.423800 1.0079 0 - 9813 H2O 2599 H2O H2 3 0.423800 1.0079 0 - 9814 H2O 2600 H2O O1 4 -0.847600 15.9994 0 - 9815 H2O 2600 H2O H1 3 0.423800 1.0079 0 - 9816 H2O 2600 H2O H2 3 0.423800 1.0079 0 - 9817 H2O 2601 H2O O1 4 -0.847600 15.9994 0 - 9818 H2O 2601 H2O H1 3 0.423800 1.0079 0 - 9819 H2O 2601 H2O H2 3 0.423800 1.0079 0 - 9820 H2O 2602 H2O O1 4 -0.847600 15.9994 0 - 9821 H2O 2602 H2O H1 3 0.423800 1.0079 0 - 9822 H2O 2602 H2O H2 3 0.423800 1.0079 0 - 9823 H2O 2603 H2O O1 4 -0.847600 15.9994 0 - 9824 H2O 2603 H2O H1 3 0.423800 1.0079 0 - 9825 H2O 2603 H2O H2 3 0.423800 1.0079 0 - 9826 H2O 2604 H2O O1 4 -0.847600 15.9994 0 - 9827 H2O 2604 H2O H1 3 0.423800 1.0079 0 - 9828 H2O 2604 H2O H2 3 0.423800 1.0079 0 - 9829 H2O 2605 H2O O1 4 -0.847600 15.9994 0 - 9830 H2O 2605 H2O H1 3 0.423800 1.0079 0 - 9831 H2O 2605 H2O H2 3 0.423800 1.0079 0 - 9832 H2O 2606 H2O O1 4 -0.847600 15.9994 0 - 9833 H2O 2606 H2O H1 3 0.423800 1.0079 0 - 9834 H2O 2606 H2O H2 3 0.423800 1.0079 0 - 9835 H2O 2607 H2O O1 4 -0.847600 15.9994 0 - 9836 H2O 2607 H2O H1 3 0.423800 1.0079 0 - 9837 H2O 2607 H2O H2 3 0.423800 1.0079 0 - 9838 H2O 2608 H2O O1 4 -0.847600 15.9994 0 - 9839 H2O 2608 H2O H1 3 0.423800 1.0079 0 - 9840 H2O 2608 H2O H2 3 0.423800 1.0079 0 - 9841 H2O 2609 H2O O1 4 -0.847600 15.9994 0 - 9842 H2O 2609 H2O H1 3 0.423800 1.0079 0 - 9843 H2O 2609 H2O H2 3 0.423800 1.0079 0 - 9844 H2O 2610 H2O O1 4 -0.847600 15.9994 0 - 9845 H2O 2610 H2O H1 3 0.423800 1.0079 0 - 9846 H2O 2610 H2O H2 3 0.423800 1.0079 0 - 9847 H2O 2611 H2O O1 4 -0.847600 15.9994 0 - 9848 H2O 2611 H2O H1 3 0.423800 1.0079 0 - 9849 H2O 2611 H2O H2 3 0.423800 1.0079 0 - 9850 H2O 2612 H2O O1 4 -0.847600 15.9994 0 - 9851 H2O 2612 H2O H1 3 0.423800 1.0079 0 - 9852 H2O 2612 H2O H2 3 0.423800 1.0079 0 - 9853 H2O 2613 H2O O1 4 -0.847600 15.9994 0 - 9854 H2O 2613 H2O H1 3 0.423800 1.0079 0 - 9855 H2O 2613 H2O H2 3 0.423800 1.0079 0 - 9856 H2O 2614 H2O O1 4 -0.847600 15.9994 0 - 9857 H2O 2614 H2O H1 3 0.423800 1.0079 0 - 9858 H2O 2614 H2O H2 3 0.423800 1.0079 0 - 9859 H2O 2615 H2O O1 4 -0.847600 15.9994 0 - 9860 H2O 2615 H2O H1 3 0.423800 1.0079 0 - 9861 H2O 2615 H2O H2 3 0.423800 1.0079 0 - 9862 H2O 2616 H2O O1 4 -0.847600 15.9994 0 - 9863 H2O 2616 H2O H1 3 0.423800 1.0079 0 - 9864 H2O 2616 H2O H2 3 0.423800 1.0079 0 - 9865 H2O 2617 H2O O1 4 -0.847600 15.9994 0 - 9866 H2O 2617 H2O H1 3 0.423800 1.0079 0 - 9867 H2O 2617 H2O H2 3 0.423800 1.0079 0 - 9868 H2O 2618 H2O O1 4 -0.847600 15.9994 0 - 9869 H2O 2618 H2O H1 3 0.423800 1.0079 0 - 9870 H2O 2618 H2O H2 3 0.423800 1.0079 0 - 9871 H2O 2619 H2O O1 4 -0.847600 15.9994 0 - 9872 H2O 2619 H2O H1 3 0.423800 1.0079 0 - 9873 H2O 2619 H2O H2 3 0.423800 1.0079 0 - 9874 H2O 2620 H2O O1 4 -0.847600 15.9994 0 - 9875 H2O 2620 H2O H1 3 0.423800 1.0079 0 - 9876 H2O 2620 H2O H2 3 0.423800 1.0079 0 - 9877 H2O 2621 H2O O1 4 -0.847600 15.9994 0 - 9878 H2O 2621 H2O H1 3 0.423800 1.0079 0 - 9879 H2O 2621 H2O H2 3 0.423800 1.0079 0 - 9880 H2O 2622 H2O O1 4 -0.847600 15.9994 0 - 9881 H2O 2622 H2O H1 3 0.423800 1.0079 0 - 9882 H2O 2622 H2O H2 3 0.423800 1.0079 0 - 9883 H2O 2623 H2O O1 4 -0.847600 15.9994 0 - 9884 H2O 2623 H2O H1 3 0.423800 1.0079 0 - 9885 H2O 2623 H2O H2 3 0.423800 1.0079 0 - 9886 H2O 2624 H2O O1 4 -0.847600 15.9994 0 - 9887 H2O 2624 H2O H1 3 0.423800 1.0079 0 - 9888 H2O 2624 H2O H2 3 0.423800 1.0079 0 - 9889 H2O 2625 H2O O1 4 -0.847600 15.9994 0 - 9890 H2O 2625 H2O H1 3 0.423800 1.0079 0 - 9891 H2O 2625 H2O H2 3 0.423800 1.0079 0 - 9892 H2O 2626 H2O O1 4 -0.847600 15.9994 0 - 9893 H2O 2626 H2O H1 3 0.423800 1.0079 0 - 9894 H2O 2626 H2O H2 3 0.423800 1.0079 0 - 9895 H2O 2627 H2O O1 4 -0.847600 15.9994 0 - 9896 H2O 2627 H2O H1 3 0.423800 1.0079 0 - 9897 H2O 2627 H2O H2 3 0.423800 1.0079 0 - 9898 H2O 2628 H2O O1 4 -0.847600 15.9994 0 - 9899 H2O 2628 H2O H1 3 0.423800 1.0079 0 - 9900 H2O 2628 H2O H2 3 0.423800 1.0079 0 - 9901 H2O 2629 H2O O1 4 -0.847600 15.9994 0 - 9902 H2O 2629 H2O H1 3 0.423800 1.0079 0 - 9903 H2O 2629 H2O H2 3 0.423800 1.0079 0 - 9904 H2O 2630 H2O O1 4 -0.847600 15.9994 0 - 9905 H2O 2630 H2O H1 3 0.423800 1.0079 0 - 9906 H2O 2630 H2O H2 3 0.423800 1.0079 0 - 9907 H2O 2631 H2O O1 4 -0.847600 15.9994 0 - 9908 H2O 2631 H2O H1 3 0.423800 1.0079 0 - 9909 H2O 2631 H2O H2 3 0.423800 1.0079 0 - 9910 H2O 2632 H2O O1 4 -0.847600 15.9994 0 - 9911 H2O 2632 H2O H1 3 0.423800 1.0079 0 - 9912 H2O 2632 H2O H2 3 0.423800 1.0079 0 - 9913 H2O 2633 H2O O1 4 -0.847600 15.9994 0 - 9914 H2O 2633 H2O H1 3 0.423800 1.0079 0 - 9915 H2O 2633 H2O H2 3 0.423800 1.0079 0 - 9916 H2O 2634 H2O O1 4 -0.847600 15.9994 0 - 9917 H2O 2634 H2O H1 3 0.423800 1.0079 0 - 9918 H2O 2634 H2O H2 3 0.423800 1.0079 0 - 9919 H2O 2635 H2O O1 4 -0.847600 15.9994 0 - 9920 H2O 2635 H2O H1 3 0.423800 1.0079 0 - 9921 H2O 2635 H2O H2 3 0.423800 1.0079 0 - 9922 H2O 2636 H2O O1 4 -0.847600 15.9994 0 - 9923 H2O 2636 H2O H1 3 0.423800 1.0079 0 - 9924 H2O 2636 H2O H2 3 0.423800 1.0079 0 - 9925 H2O 2637 H2O O1 4 -0.847600 15.9994 0 - 9926 H2O 2637 H2O H1 3 0.423800 1.0079 0 - 9927 H2O 2637 H2O H2 3 0.423800 1.0079 0 - 9928 H2O 2638 H2O O1 4 -0.847600 15.9994 0 - 9929 H2O 2638 H2O H1 3 0.423800 1.0079 0 - 9930 H2O 2638 H2O H2 3 0.423800 1.0079 0 - 9931 H2O 2639 H2O O1 4 -0.847600 15.9994 0 - 9932 H2O 2639 H2O H1 3 0.423800 1.0079 0 - 9933 H2O 2639 H2O H2 3 0.423800 1.0079 0 - 9934 H2O 2640 H2O O1 4 -0.847600 15.9994 0 - 9935 H2O 2640 H2O H1 3 0.423800 1.0079 0 - 9936 H2O 2640 H2O H2 3 0.423800 1.0079 0 - 9937 H2O 2641 H2O O1 4 -0.847600 15.9994 0 - 9938 H2O 2641 H2O H1 3 0.423800 1.0079 0 - 9939 H2O 2641 H2O H2 3 0.423800 1.0079 0 - 9940 H2O 2642 H2O O1 4 -0.847600 15.9994 0 - 9941 H2O 2642 H2O H1 3 0.423800 1.0079 0 - 9942 H2O 2642 H2O H2 3 0.423800 1.0079 0 - 9943 H2O 2643 H2O O1 4 -0.847600 15.9994 0 - 9944 H2O 2643 H2O H1 3 0.423800 1.0079 0 - 9945 H2O 2643 H2O H2 3 0.423800 1.0079 0 - 9946 H2O 2644 H2O O1 4 -0.847600 15.9994 0 - 9947 H2O 2644 H2O H1 3 0.423800 1.0079 0 - 9948 H2O 2644 H2O H2 3 0.423800 1.0079 0 - 9949 H2O 2645 H2O O1 4 -0.847600 15.9994 0 - 9950 H2O 2645 H2O H1 3 0.423800 1.0079 0 - 9951 H2O 2645 H2O H2 3 0.423800 1.0079 0 - 9952 H2O 2646 H2O O1 4 -0.847600 15.9994 0 - 9953 H2O 2646 H2O H1 3 0.423800 1.0079 0 - 9954 H2O 2646 H2O H2 3 0.423800 1.0079 0 - 9955 H2O 2647 H2O O1 4 -0.847600 15.9994 0 - 9956 H2O 2647 H2O H1 3 0.423800 1.0079 0 - 9957 H2O 2647 H2O H2 3 0.423800 1.0079 0 - 9958 H2O 2648 H2O O1 4 -0.847600 15.9994 0 - 9959 H2O 2648 H2O H1 3 0.423800 1.0079 0 - 9960 H2O 2648 H2O H2 3 0.423800 1.0079 0 - 9961 H2O 2649 H2O O1 4 -0.847600 15.9994 0 - 9962 H2O 2649 H2O H1 3 0.423800 1.0079 0 - 9963 H2O 2649 H2O H2 3 0.423800 1.0079 0 - 9964 H2O 2650 H2O O1 4 -0.847600 15.9994 0 - 9965 H2O 2650 H2O H1 3 0.423800 1.0079 0 - 9966 H2O 2650 H2O H2 3 0.423800 1.0079 0 - 9967 H2O 2651 H2O O1 4 -0.847600 15.9994 0 - 9968 H2O 2651 H2O H1 3 0.423800 1.0079 0 - 9969 H2O 2651 H2O H2 3 0.423800 1.0079 0 - 9970 H2O 2652 H2O O1 4 -0.847600 15.9994 0 - 9971 H2O 2652 H2O H1 3 0.423800 1.0079 0 - 9972 H2O 2652 H2O H2 3 0.423800 1.0079 0 - 9973 H2O 2653 H2O O1 4 -0.847600 15.9994 0 - 9974 H2O 2653 H2O H1 3 0.423800 1.0079 0 - 9975 H2O 2653 H2O H2 3 0.423800 1.0079 0 - 9976 H2O 2654 H2O O1 4 -0.847600 15.9994 0 - 9977 H2O 2654 H2O H1 3 0.423800 1.0079 0 - 9978 H2O 2654 H2O H2 3 0.423800 1.0079 0 - 9979 H2O 2655 H2O O1 4 -0.847600 15.9994 0 - 9980 H2O 2655 H2O H1 3 0.423800 1.0079 0 - 9981 H2O 2655 H2O H2 3 0.423800 1.0079 0 - 9982 H2O 2656 H2O O1 4 -0.847600 15.9994 0 - 9983 H2O 2656 H2O H1 3 0.423800 1.0079 0 - 9984 H2O 2656 H2O H2 3 0.423800 1.0079 0 - 9985 H2O 2657 H2O O1 4 -0.847600 15.9994 0 - 9986 H2O 2657 H2O H1 3 0.423800 1.0079 0 - 9987 H2O 2657 H2O H2 3 0.423800 1.0079 0 - 9988 H2O 2658 H2O O1 4 -0.847600 15.9994 0 - 9989 H2O 2658 H2O H1 3 0.423800 1.0079 0 - 9990 H2O 2658 H2O H2 3 0.423800 1.0079 0 - 9991 H2O 2659 H2O O1 4 -0.847600 15.9994 0 - 9992 H2O 2659 H2O H1 3 0.423800 1.0079 0 - 9993 H2O 2659 H2O H2 3 0.423800 1.0079 0 - 9994 H2O 2660 H2O O1 4 -0.847600 15.9994 0 - 9995 H2O 2660 H2O H1 3 0.423800 1.0079 0 - 9996 H2O 2660 H2O H2 3 0.423800 1.0079 0 - 9997 H2O 2661 H2O O1 4 -0.847600 15.9994 0 - 9998 H2O 2661 H2O H1 3 0.423800 1.0079 0 - 9999 H2O 2661 H2O H2 3 0.423800 1.0079 0 - 10000 H2O 2662 H2O O1 4 -0.847600 15.9994 0 - 10001 H2O 2662 H2O H1 3 0.423800 1.0079 0 - 10002 H2O 2662 H2O H2 3 0.423800 1.0079 0 - 10003 H2O 2663 H2O O1 4 -0.847600 15.9994 0 - 10004 H2O 2663 H2O H1 3 0.423800 1.0079 0 - 10005 H2O 2663 H2O H2 3 0.423800 1.0079 0 - 10006 H2O 2664 H2O O1 4 -0.847600 15.9994 0 - 10007 H2O 2664 H2O H1 3 0.423800 1.0079 0 - 10008 H2O 2664 H2O H2 3 0.423800 1.0079 0 - 10009 H2O 2665 H2O O1 4 -0.847600 15.9994 0 - 10010 H2O 2665 H2O H1 3 0.423800 1.0079 0 - 10011 H2O 2665 H2O H2 3 0.423800 1.0079 0 - 10012 H2O 2666 H2O O1 4 -0.847600 15.9994 0 - 10013 H2O 2666 H2O H1 3 0.423800 1.0079 0 - 10014 H2O 2666 H2O H2 3 0.423800 1.0079 0 - 10015 H2O 2667 H2O O1 4 -0.847600 15.9994 0 - 10016 H2O 2667 H2O H1 3 0.423800 1.0079 0 - 10017 H2O 2667 H2O H2 3 0.423800 1.0079 0 - 10018 H2O 2668 H2O O1 4 -0.847600 15.9994 0 - 10019 H2O 2668 H2O H1 3 0.423800 1.0079 0 - 10020 H2O 2668 H2O H2 3 0.423800 1.0079 0 - 10021 H2O 2669 H2O O1 4 -0.847600 15.9994 0 - 10022 H2O 2669 H2O H1 3 0.423800 1.0079 0 - 10023 H2O 2669 H2O H2 3 0.423800 1.0079 0 - 10024 H2O 2670 H2O O1 4 -0.847600 15.9994 0 - 10025 H2O 2670 H2O H1 3 0.423800 1.0079 0 - 10026 H2O 2670 H2O H2 3 0.423800 1.0079 0 - 10027 H2O 2671 H2O O1 4 -0.847600 15.9994 0 - 10028 H2O 2671 H2O H1 3 0.423800 1.0079 0 - 10029 H2O 2671 H2O H2 3 0.423800 1.0079 0 - 10030 H2O 2672 H2O O1 4 -0.847600 15.9994 0 - 10031 H2O 2672 H2O H1 3 0.423800 1.0079 0 - 10032 H2O 2672 H2O H2 3 0.423800 1.0079 0 - 10033 H2O 2673 H2O O1 4 -0.847600 15.9994 0 - 10034 H2O 2673 H2O H1 3 0.423800 1.0079 0 - 10035 H2O 2673 H2O H2 3 0.423800 1.0079 0 - 10036 H2O 2674 H2O O1 4 -0.847600 15.9994 0 - 10037 H2O 2674 H2O H1 3 0.423800 1.0079 0 - 10038 H2O 2674 H2O H2 3 0.423800 1.0079 0 - 10039 H2O 2675 H2O O1 4 -0.847600 15.9994 0 - 10040 H2O 2675 H2O H1 3 0.423800 1.0079 0 - 10041 H2O 2675 H2O H2 3 0.423800 1.0079 0 - 10042 H2O 2676 H2O O1 4 -0.847600 15.9994 0 - 10043 H2O 2676 H2O H1 3 0.423800 1.0079 0 - 10044 H2O 2676 H2O H2 3 0.423800 1.0079 0 - 10045 H2O 2677 H2O O1 4 -0.847600 15.9994 0 - 10046 H2O 2677 H2O H1 3 0.423800 1.0079 0 - 10047 H2O 2677 H2O H2 3 0.423800 1.0079 0 - 10048 H2O 2678 H2O O1 4 -0.847600 15.9994 0 - 10049 H2O 2678 H2O H1 3 0.423800 1.0079 0 - 10050 H2O 2678 H2O H2 3 0.423800 1.0079 0 - 10051 H2O 2679 H2O O1 4 -0.847600 15.9994 0 - 10052 H2O 2679 H2O H1 3 0.423800 1.0079 0 - 10053 H2O 2679 H2O H2 3 0.423800 1.0079 0 - 10054 H2O 2680 H2O O1 4 -0.847600 15.9994 0 - 10055 H2O 2680 H2O H1 3 0.423800 1.0079 0 - 10056 H2O 2680 H2O H2 3 0.423800 1.0079 0 - 10057 H2O 2681 H2O O1 4 -0.847600 15.9994 0 - 10058 H2O 2681 H2O H1 3 0.423800 1.0079 0 - 10059 H2O 2681 H2O H2 3 0.423800 1.0079 0 - 10060 H2O 2682 H2O O1 4 -0.847600 15.9994 0 - 10061 H2O 2682 H2O H1 3 0.423800 1.0079 0 - 10062 H2O 2682 H2O H2 3 0.423800 1.0079 0 - 10063 H2O 2683 H2O O1 4 -0.847600 15.9994 0 - 10064 H2O 2683 H2O H1 3 0.423800 1.0079 0 - 10065 H2O 2683 H2O H2 3 0.423800 1.0079 0 - 10066 H2O 2684 H2O O1 4 -0.847600 15.9994 0 - 10067 H2O 2684 H2O H1 3 0.423800 1.0079 0 - 10068 H2O 2684 H2O H2 3 0.423800 1.0079 0 - 10069 H2O 2685 H2O O1 4 -0.847600 15.9994 0 - 10070 H2O 2685 H2O H1 3 0.423800 1.0079 0 - 10071 H2O 2685 H2O H2 3 0.423800 1.0079 0 - 10072 H2O 2686 H2O O1 4 -0.847600 15.9994 0 - 10073 H2O 2686 H2O H1 3 0.423800 1.0079 0 - 10074 H2O 2686 H2O H2 3 0.423800 1.0079 0 - 10075 H2O 2687 H2O O1 4 -0.847600 15.9994 0 - 10076 H2O 2687 H2O H1 3 0.423800 1.0079 0 - 10077 H2O 2687 H2O H2 3 0.423800 1.0079 0 - 10078 H2O 2688 H2O O1 4 -0.847600 15.9994 0 - 10079 H2O 2688 H2O H1 3 0.423800 1.0079 0 - 10080 H2O 2688 H2O H2 3 0.423800 1.0079 0 - 10081 H2O 2689 H2O O1 4 -0.847600 15.9994 0 - 10082 H2O 2689 H2O H1 3 0.423800 1.0079 0 - 10083 H2O 2689 H2O H2 3 0.423800 1.0079 0 - 10084 H2O 2690 H2O O1 4 -0.847600 15.9994 0 - 10085 H2O 2690 H2O H1 3 0.423800 1.0079 0 - 10086 H2O 2690 H2O H2 3 0.423800 1.0079 0 - 10087 H2O 2691 H2O O1 4 -0.847600 15.9994 0 - 10088 H2O 2691 H2O H1 3 0.423800 1.0079 0 - 10089 H2O 2691 H2O H2 3 0.423800 1.0079 0 - 10090 H2O 2692 H2O O1 4 -0.847600 15.9994 0 - 10091 H2O 2692 H2O H1 3 0.423800 1.0079 0 - 10092 H2O 2692 H2O H2 3 0.423800 1.0079 0 - 10093 H2O 2693 H2O O1 4 -0.847600 15.9994 0 - 10094 H2O 2693 H2O H1 3 0.423800 1.0079 0 - 10095 H2O 2693 H2O H2 3 0.423800 1.0079 0 - 10096 H2O 2694 H2O O1 4 -0.847600 15.9994 0 - 10097 H2O 2694 H2O H1 3 0.423800 1.0079 0 - 10098 H2O 2694 H2O H2 3 0.423800 1.0079 0 - 10099 H2O 2695 H2O O1 4 -0.847600 15.9994 0 - 10100 H2O 2695 H2O H1 3 0.423800 1.0079 0 - 10101 H2O 2695 H2O H2 3 0.423800 1.0079 0 - 10102 H2O 2696 H2O O1 4 -0.847600 15.9994 0 - 10103 H2O 2696 H2O H1 3 0.423800 1.0079 0 - 10104 H2O 2696 H2O H2 3 0.423800 1.0079 0 - 10105 H2O 2697 H2O O1 4 -0.847600 15.9994 0 - 10106 H2O 2697 H2O H1 3 0.423800 1.0079 0 - 10107 H2O 2697 H2O H2 3 0.423800 1.0079 0 - 10108 H2O 2698 H2O O1 4 -0.847600 15.9994 0 - 10109 H2O 2698 H2O H1 3 0.423800 1.0079 0 - 10110 H2O 2698 H2O H2 3 0.423800 1.0079 0 - 10111 H2O 2699 H2O O1 4 -0.847600 15.9994 0 - 10112 H2O 2699 H2O H1 3 0.423800 1.0079 0 - 10113 H2O 2699 H2O H2 3 0.423800 1.0079 0 - 10114 H2O 2700 H2O O1 4 -0.847600 15.9994 0 - 10115 H2O 2700 H2O H1 3 0.423800 1.0079 0 - 10116 H2O 2700 H2O H2 3 0.423800 1.0079 0 - 10117 H2O 2701 H2O O1 4 -0.847600 15.9994 0 - 10118 H2O 2701 H2O H1 3 0.423800 1.0079 0 - 10119 H2O 2701 H2O H2 3 0.423800 1.0079 0 - 10120 H2O 2702 H2O O1 4 -0.847600 15.9994 0 - 10121 H2O 2702 H2O H1 3 0.423800 1.0079 0 - 10122 H2O 2702 H2O H2 3 0.423800 1.0079 0 - 10123 H2O 2703 H2O O1 4 -0.847600 15.9994 0 - 10124 H2O 2703 H2O H1 3 0.423800 1.0079 0 - 10125 H2O 2703 H2O H2 3 0.423800 1.0079 0 - 10126 H2O 2704 H2O O1 4 -0.847600 15.9994 0 - 10127 H2O 2704 H2O H1 3 0.423800 1.0079 0 - 10128 H2O 2704 H2O H2 3 0.423800 1.0079 0 - 10129 H2O 2705 H2O O1 4 -0.847600 15.9994 0 - 10130 H2O 2705 H2O H1 3 0.423800 1.0079 0 - 10131 H2O 2705 H2O H2 3 0.423800 1.0079 0 - 10132 H2O 2706 H2O O1 4 -0.847600 15.9994 0 - 10133 H2O 2706 H2O H1 3 0.423800 1.0079 0 - 10134 H2O 2706 H2O H2 3 0.423800 1.0079 0 - 10135 H2O 2707 H2O O1 4 -0.847600 15.9994 0 - 10136 H2O 2707 H2O H1 3 0.423800 1.0079 0 - 10137 H2O 2707 H2O H2 3 0.423800 1.0079 0 - 10138 H2O 2708 H2O O1 4 -0.847600 15.9994 0 - 10139 H2O 2708 H2O H1 3 0.423800 1.0079 0 - 10140 H2O 2708 H2O H2 3 0.423800 1.0079 0 - 10141 H2O 2709 H2O O1 4 -0.847600 15.9994 0 - 10142 H2O 2709 H2O H1 3 0.423800 1.0079 0 - 10143 H2O 2709 H2O H2 3 0.423800 1.0079 0 - 10144 H2O 2710 H2O O1 4 -0.847600 15.9994 0 - 10145 H2O 2710 H2O H1 3 0.423800 1.0079 0 - 10146 H2O 2710 H2O H2 3 0.423800 1.0079 0 - 10147 H2O 2711 H2O O1 4 -0.847600 15.9994 0 - 10148 H2O 2711 H2O H1 3 0.423800 1.0079 0 - 10149 H2O 2711 H2O H2 3 0.423800 1.0079 0 - 10150 H2O 2712 H2O O1 4 -0.847600 15.9994 0 - 10151 H2O 2712 H2O H1 3 0.423800 1.0079 0 - 10152 H2O 2712 H2O H2 3 0.423800 1.0079 0 - 10153 H2O 2713 H2O O1 4 -0.847600 15.9994 0 - 10154 H2O 2713 H2O H1 3 0.423800 1.0079 0 - 10155 H2O 2713 H2O H2 3 0.423800 1.0079 0 - 10156 H2O 2714 H2O O1 4 -0.847600 15.9994 0 - 10157 H2O 2714 H2O H1 3 0.423800 1.0079 0 - 10158 H2O 2714 H2O H2 3 0.423800 1.0079 0 - 10159 H2O 2715 H2O O1 4 -0.847600 15.9994 0 - 10160 H2O 2715 H2O H1 3 0.423800 1.0079 0 - 10161 H2O 2715 H2O H2 3 0.423800 1.0079 0 - 10162 H2O 2716 H2O O1 4 -0.847600 15.9994 0 - 10163 H2O 2716 H2O H1 3 0.423800 1.0079 0 - 10164 H2O 2716 H2O H2 3 0.423800 1.0079 0 - 10165 H2O 2717 H2O O1 4 -0.847600 15.9994 0 - 10166 H2O 2717 H2O H1 3 0.423800 1.0079 0 - 10167 H2O 2717 H2O H2 3 0.423800 1.0079 0 - 10168 H2O 2718 H2O O1 4 -0.847600 15.9994 0 - 10169 H2O 2718 H2O H1 3 0.423800 1.0079 0 - 10170 H2O 2718 H2O H2 3 0.423800 1.0079 0 - 10171 H2O 2719 H2O O1 4 -0.847600 15.9994 0 - 10172 H2O 2719 H2O H1 3 0.423800 1.0079 0 - 10173 H2O 2719 H2O H2 3 0.423800 1.0079 0 - 10174 H2O 2720 H2O O1 4 -0.847600 15.9994 0 - 10175 H2O 2720 H2O H1 3 0.423800 1.0079 0 - 10176 H2O 2720 H2O H2 3 0.423800 1.0079 0 - 10177 H2O 2721 H2O O1 4 -0.847600 15.9994 0 - 10178 H2O 2721 H2O H1 3 0.423800 1.0079 0 - 10179 H2O 2721 H2O H2 3 0.423800 1.0079 0 - 10180 H2O 2722 H2O O1 4 -0.847600 15.9994 0 - 10181 H2O 2722 H2O H1 3 0.423800 1.0079 0 - 10182 H2O 2722 H2O H2 3 0.423800 1.0079 0 - 10183 H2O 2723 H2O O1 4 -0.847600 15.9994 0 - 10184 H2O 2723 H2O H1 3 0.423800 1.0079 0 - 10185 H2O 2723 H2O H2 3 0.423800 1.0079 0 - 10186 H2O 2724 H2O O1 4 -0.847600 15.9994 0 - 10187 H2O 2724 H2O H1 3 0.423800 1.0079 0 - 10188 H2O 2724 H2O H2 3 0.423800 1.0079 0 - 10189 H2O 2725 H2O O1 4 -0.847600 15.9994 0 - 10190 H2O 2725 H2O H1 3 0.423800 1.0079 0 - 10191 H2O 2725 H2O H2 3 0.423800 1.0079 0 - 10192 H2O 2726 H2O O1 4 -0.847600 15.9994 0 - 10193 H2O 2726 H2O H1 3 0.423800 1.0079 0 - 10194 H2O 2726 H2O H2 3 0.423800 1.0079 0 - 10195 H2O 2727 H2O O1 4 -0.847600 15.9994 0 - 10196 H2O 2727 H2O H1 3 0.423800 1.0079 0 - 10197 H2O 2727 H2O H2 3 0.423800 1.0079 0 - 10198 H2O 2728 H2O O1 4 -0.847600 15.9994 0 - 10199 H2O 2728 H2O H1 3 0.423800 1.0079 0 - 10200 H2O 2728 H2O H2 3 0.423800 1.0079 0 - 10201 H2O 2729 H2O O1 4 -0.847600 15.9994 0 - 10202 H2O 2729 H2O H1 3 0.423800 1.0079 0 - 10203 H2O 2729 H2O H2 3 0.423800 1.0079 0 - 10204 H2O 2730 H2O O1 4 -0.847600 15.9994 0 - 10205 H2O 2730 H2O H1 3 0.423800 1.0079 0 - 10206 H2O 2730 H2O H2 3 0.423800 1.0079 0 - 10207 H2O 2731 H2O O1 4 -0.847600 15.9994 0 - 10208 H2O 2731 H2O H1 3 0.423800 1.0079 0 - 10209 H2O 2731 H2O H2 3 0.423800 1.0079 0 - 10210 H2O 2732 H2O O1 4 -0.847600 15.9994 0 - 10211 H2O 2732 H2O H1 3 0.423800 1.0079 0 - 10212 H2O 2732 H2O H2 3 0.423800 1.0079 0 - 10213 H2O 2733 H2O O1 4 -0.847600 15.9994 0 - 10214 H2O 2733 H2O H1 3 0.423800 1.0079 0 - 10215 H2O 2733 H2O H2 3 0.423800 1.0079 0 - 10216 H2O 2734 H2O O1 4 -0.847600 15.9994 0 - 10217 H2O 2734 H2O H1 3 0.423800 1.0079 0 - 10218 H2O 2734 H2O H2 3 0.423800 1.0079 0 - 10219 H2O 2735 H2O O1 4 -0.847600 15.9994 0 - 10220 H2O 2735 H2O H1 3 0.423800 1.0079 0 - 10221 H2O 2735 H2O H2 3 0.423800 1.0079 0 - 10222 H2O 2736 H2O O1 4 -0.847600 15.9994 0 - 10223 H2O 2736 H2O H1 3 0.423800 1.0079 0 - 10224 H2O 2736 H2O H2 3 0.423800 1.0079 0 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H2O H1 3 0.423800 1.0079 0 - 10248 H2O 2744 H2O H2 3 0.423800 1.0079 0 - 10249 H2O 2745 H2O O1 4 -0.847600 15.9994 0 - 10250 H2O 2745 H2O H1 3 0.423800 1.0079 0 - 10251 H2O 2745 H2O H2 3 0.423800 1.0079 0 - 10252 H2O 2746 H2O O1 4 -0.847600 15.9994 0 - 10253 H2O 2746 H2O H1 3 0.423800 1.0079 0 - 10254 H2O 2746 H2O H2 3 0.423800 1.0079 0 - 10255 H2O 2747 H2O O1 4 -0.847600 15.9994 0 - 10256 H2O 2747 H2O H1 3 0.423800 1.0079 0 - 10257 H2O 2747 H2O H2 3 0.423800 1.0079 0 - 10258 H2O 2748 H2O O1 4 -0.847600 15.9994 0 - 10259 H2O 2748 H2O H1 3 0.423800 1.0079 0 - 10260 H2O 2748 H2O H2 3 0.423800 1.0079 0 - 10261 H2O 2749 H2O O1 4 -0.847600 15.9994 0 - 10262 H2O 2749 H2O H1 3 0.423800 1.0079 0 - 10263 H2O 2749 H2O H2 3 0.423800 1.0079 0 - 10264 H2O 2750 H2O O1 4 -0.847600 15.9994 0 - 10265 H2O 2750 H2O H1 3 0.423800 1.0079 0 - 10266 H2O 2750 H2O H2 3 0.423800 1.0079 0 - 10267 H2O 2751 H2O O1 4 -0.847600 15.9994 0 - 10268 H2O 2751 H2O H1 3 0.423800 1.0079 0 - 10269 H2O 2751 H2O H2 3 0.423800 1.0079 0 - 10270 H2O 2752 H2O O1 4 -0.847600 15.9994 0 - 10271 H2O 2752 H2O H1 3 0.423800 1.0079 0 - 10272 H2O 2752 H2O H2 3 0.423800 1.0079 0 - 10273 H2O 2753 H2O O1 4 -0.847600 15.9994 0 - 10274 H2O 2753 H2O H1 3 0.423800 1.0079 0 - 10275 H2O 2753 H2O H2 3 0.423800 1.0079 0 - 10276 H2O 2754 H2O O1 4 -0.847600 15.9994 0 - 10277 H2O 2754 H2O H1 3 0.423800 1.0079 0 - 10278 H2O 2754 H2O H2 3 0.423800 1.0079 0 - 10279 H2O 2755 H2O O1 4 -0.847600 15.9994 0 - 10280 H2O 2755 H2O H1 3 0.423800 1.0079 0 - 10281 H2O 2755 H2O H2 3 0.423800 1.0079 0 - 10282 H2O 2756 H2O O1 4 -0.847600 15.9994 0 - 10283 H2O 2756 H2O H1 3 0.423800 1.0079 0 - 10284 H2O 2756 H2O H2 3 0.423800 1.0079 0 - 10285 H2O 2757 H2O O1 4 -0.847600 15.9994 0 - 10286 H2O 2757 H2O H1 3 0.423800 1.0079 0 - 10287 H2O 2757 H2O H2 3 0.423800 1.0079 0 - 10288 H2O 2758 H2O O1 4 -0.847600 15.9994 0 - 10289 H2O 2758 H2O H1 3 0.423800 1.0079 0 - 10290 H2O 2758 H2O H2 3 0.423800 1.0079 0 - 10291 H2O 2759 H2O O1 4 -0.847600 15.9994 0 - 10292 H2O 2759 H2O H1 3 0.423800 1.0079 0 - 10293 H2O 2759 H2O H2 3 0.423800 1.0079 0 - 10294 H2O 2760 H2O O1 4 -0.847600 15.9994 0 - 10295 H2O 2760 H2O H1 3 0.423800 1.0079 0 - 10296 H2O 2760 H2O H2 3 0.423800 1.0079 0 - 10297 H2O 2761 H2O O1 4 -0.847600 15.9994 0 - 10298 H2O 2761 H2O H1 3 0.423800 1.0079 0 - 10299 H2O 2761 H2O H2 3 0.423800 1.0079 0 - 10300 H2O 2762 H2O O1 4 -0.847600 15.9994 0 - 10301 H2O 2762 H2O H1 3 0.423800 1.0079 0 - 10302 H2O 2762 H2O H2 3 0.423800 1.0079 0 - 10303 H2O 2763 H2O O1 4 -0.847600 15.9994 0 - 10304 H2O 2763 H2O H1 3 0.423800 1.0079 0 - 10305 H2O 2763 H2O H2 3 0.423800 1.0079 0 - 10306 H2O 2764 H2O O1 4 -0.847600 15.9994 0 - 10307 H2O 2764 H2O H1 3 0.423800 1.0079 0 - 10308 H2O 2764 H2O H2 3 0.423800 1.0079 0 - 10309 H2O 2765 H2O O1 4 -0.847600 15.9994 0 - 10310 H2O 2765 H2O H1 3 0.423800 1.0079 0 - 10311 H2O 2765 H2O H2 3 0.423800 1.0079 0 - 10312 H2O 2766 H2O O1 4 -0.847600 15.9994 0 - 10313 H2O 2766 H2O H1 3 0.423800 1.0079 0 - 10314 H2O 2766 H2O H2 3 0.423800 1.0079 0 - 10315 H2O 2767 H2O O1 4 -0.847600 15.9994 0 - 10316 H2O 2767 H2O H1 3 0.423800 1.0079 0 - 10317 H2O 2767 H2O H2 3 0.423800 1.0079 0 - 10318 H2O 2768 H2O O1 4 -0.847600 15.9994 0 - 10319 H2O 2768 H2O H1 3 0.423800 1.0079 0 - 10320 H2O 2768 H2O H2 3 0.423800 1.0079 0 - 10321 H2O 2769 H2O O1 4 -0.847600 15.9994 0 - 10322 H2O 2769 H2O H1 3 0.423800 1.0079 0 - 10323 H2O 2769 H2O H2 3 0.423800 1.0079 0 - 10324 H2O 2770 H2O O1 4 -0.847600 15.9994 0 - 10325 H2O 2770 H2O H1 3 0.423800 1.0079 0 - 10326 H2O 2770 H2O H2 3 0.423800 1.0079 0 - 10327 H2O 2771 H2O O1 4 -0.847600 15.9994 0 - 10328 H2O 2771 H2O H1 3 0.423800 1.0079 0 - 10329 H2O 2771 H2O H2 3 0.423800 1.0079 0 - 10330 H2O 2772 H2O O1 4 -0.847600 15.9994 0 - 10331 H2O 2772 H2O H1 3 0.423800 1.0079 0 - 10332 H2O 2772 H2O H2 3 0.423800 1.0079 0 - 10333 H2O 2773 H2O O1 4 -0.847600 15.9994 0 - 10334 H2O 2773 H2O H1 3 0.423800 1.0079 0 - 10335 H2O 2773 H2O H2 3 0.423800 1.0079 0 - 10336 H2O 2774 H2O O1 4 -0.847600 15.9994 0 - 10337 H2O 2774 H2O H1 3 0.423800 1.0079 0 - 10338 H2O 2774 H2O H2 3 0.423800 1.0079 0 - 10339 H2O 2775 H2O O1 4 -0.847600 15.9994 0 - 10340 H2O 2775 H2O H1 3 0.423800 1.0079 0 - 10341 H2O 2775 H2O H2 3 0.423800 1.0079 0 - 10342 H2O 2776 H2O O1 4 -0.847600 15.9994 0 - 10343 H2O 2776 H2O H1 3 0.423800 1.0079 0 - 10344 H2O 2776 H2O H2 3 0.423800 1.0079 0 - 10345 H2O 2777 H2O O1 4 -0.847600 15.9994 0 - 10346 H2O 2777 H2O H1 3 0.423800 1.0079 0 - 10347 H2O 2777 H2O H2 3 0.423800 1.0079 0 - 10348 H2O 2778 H2O O1 4 -0.847600 15.9994 0 - 10349 H2O 2778 H2O H1 3 0.423800 1.0079 0 - 10350 H2O 2778 H2O H2 3 0.423800 1.0079 0 - 10351 H2O 2779 H2O O1 4 -0.847600 15.9994 0 - 10352 H2O 2779 H2O H1 3 0.423800 1.0079 0 - 10353 H2O 2779 H2O H2 3 0.423800 1.0079 0 - 10354 H2O 2780 H2O O1 4 -0.847600 15.9994 0 - 10355 H2O 2780 H2O H1 3 0.423800 1.0079 0 - 10356 H2O 2780 H2O H2 3 0.423800 1.0079 0 - 10357 H2O 2781 H2O O1 4 -0.847600 15.9994 0 - 10358 H2O 2781 H2O H1 3 0.423800 1.0079 0 - 10359 H2O 2781 H2O H2 3 0.423800 1.0079 0 - 10360 H2O 2782 H2O O1 4 -0.847600 15.9994 0 - 10361 H2O 2782 H2O H1 3 0.423800 1.0079 0 - 10362 H2O 2782 H2O H2 3 0.423800 1.0079 0 - 10363 H2O 2783 H2O O1 4 -0.847600 15.9994 0 - 10364 H2O 2783 H2O H1 3 0.423800 1.0079 0 - 10365 H2O 2783 H2O H2 3 0.423800 1.0079 0 - 10366 H2O 2784 H2O O1 4 -0.847600 15.9994 0 - 10367 H2O 2784 H2O H1 3 0.423800 1.0079 0 - 10368 H2O 2784 H2O H2 3 0.423800 1.0079 0 - 10369 H2O 2785 H2O O1 4 -0.847600 15.9994 0 - 10370 H2O 2785 H2O H1 3 0.423800 1.0079 0 - 10371 H2O 2785 H2O H2 3 0.423800 1.0079 0 - 10372 H2O 2786 H2O O1 4 -0.847600 15.9994 0 - 10373 H2O 2786 H2O H1 3 0.423800 1.0079 0 - 10374 H2O 2786 H2O H2 3 0.423800 1.0079 0 - 10375 H2O 2787 H2O O1 4 -0.847600 15.9994 0 - 10376 H2O 2787 H2O H1 3 0.423800 1.0079 0 - 10377 H2O 2787 H2O H2 3 0.423800 1.0079 0 - 10378 H2O 2788 H2O O1 4 -0.847600 15.9994 0 - 10379 H2O 2788 H2O H1 3 0.423800 1.0079 0 - 10380 H2O 2788 H2O H2 3 0.423800 1.0079 0 - 10381 H2O 2789 H2O O1 4 -0.847600 15.9994 0 - 10382 H2O 2789 H2O H1 3 0.423800 1.0079 0 - 10383 H2O 2789 H2O H2 3 0.423800 1.0079 0 - 10384 H2O 2790 H2O O1 4 -0.847600 15.9994 0 - 10385 H2O 2790 H2O H1 3 0.423800 1.0079 0 - 10386 H2O 2790 H2O H2 3 0.423800 1.0079 0 - 10387 H2O 2791 H2O O1 4 -0.847600 15.9994 0 - 10388 H2O 2791 H2O H1 3 0.423800 1.0079 0 - 10389 H2O 2791 H2O H2 3 0.423800 1.0079 0 - 10390 H2O 2792 H2O O1 4 -0.847600 15.9994 0 - 10391 H2O 2792 H2O H1 3 0.423800 1.0079 0 - 10392 H2O 2792 H2O H2 3 0.423800 1.0079 0 - 10393 H2O 2793 H2O O1 4 -0.847600 15.9994 0 - 10394 H2O 2793 H2O H1 3 0.423800 1.0079 0 - 10395 H2O 2793 H2O H2 3 0.423800 1.0079 0 - 10396 H2O 2794 H2O O1 4 -0.847600 15.9994 0 - 10397 H2O 2794 H2O H1 3 0.423800 1.0079 0 - 10398 H2O 2794 H2O H2 3 0.423800 1.0079 0 - 10399 H2O 2795 H2O O1 4 -0.847600 15.9994 0 - 10400 H2O 2795 H2O H1 3 0.423800 1.0079 0 - 10401 H2O 2795 H2O H2 3 0.423800 1.0079 0 - 10402 H2O 2796 H2O O1 4 -0.847600 15.9994 0 - 10403 H2O 2796 H2O H1 3 0.423800 1.0079 0 - 10404 H2O 2796 H2O H2 3 0.423800 1.0079 0 - 10405 H2O 2797 H2O O1 4 -0.847600 15.9994 0 - 10406 H2O 2797 H2O H1 3 0.423800 1.0079 0 - 10407 H2O 2797 H2O H2 3 0.423800 1.0079 0 - 10408 H2O 2798 H2O O1 4 -0.847600 15.9994 0 - 10409 H2O 2798 H2O H1 3 0.423800 1.0079 0 - 10410 H2O 2798 H2O H2 3 0.423800 1.0079 0 - 10411 H2O 2799 H2O O1 4 -0.847600 15.9994 0 - 10412 H2O 2799 H2O H1 3 0.423800 1.0079 0 - 10413 H2O 2799 H2O H2 3 0.423800 1.0079 0 - 10414 H2O 2800 H2O O1 4 -0.847600 15.9994 0 - 10415 H2O 2800 H2O H1 3 0.423800 1.0079 0 - 10416 H2O 2800 H2O H2 3 0.423800 1.0079 0 - 10417 H2O 2801 H2O O1 4 -0.847600 15.9994 0 - 10418 H2O 2801 H2O H1 3 0.423800 1.0079 0 - 10419 H2O 2801 H2O H2 3 0.423800 1.0079 0 - 10420 H2O 2802 H2O O1 4 -0.847600 15.9994 0 - 10421 H2O 2802 H2O H1 3 0.423800 1.0079 0 - 10422 H2O 2802 H2O H2 3 0.423800 1.0079 0 - 10423 H2O 2803 H2O O1 4 -0.847600 15.9994 0 - 10424 H2O 2803 H2O H1 3 0.423800 1.0079 0 - 10425 H2O 2803 H2O H2 3 0.423800 1.0079 0 - 10426 H2O 2804 H2O O1 4 -0.847600 15.9994 0 - 10427 H2O 2804 H2O H1 3 0.423800 1.0079 0 - 10428 H2O 2804 H2O H2 3 0.423800 1.0079 0 - 10429 H2O 2805 H2O O1 4 -0.847600 15.9994 0 - 10430 H2O 2805 H2O H1 3 0.423800 1.0079 0 - 10431 H2O 2805 H2O H2 3 0.423800 1.0079 0 - 10432 H2O 2806 H2O O1 4 -0.847600 15.9994 0 - 10433 H2O 2806 H2O H1 3 0.423800 1.0079 0 - 10434 H2O 2806 H2O H2 3 0.423800 1.0079 0 - 10435 H2O 2807 H2O O1 4 -0.847600 15.9994 0 - 10436 H2O 2807 H2O H1 3 0.423800 1.0079 0 - 10437 H2O 2807 H2O H2 3 0.423800 1.0079 0 - 10438 H2O 2808 H2O O1 4 -0.847600 15.9994 0 - 10439 H2O 2808 H2O H1 3 0.423800 1.0079 0 - 10440 H2O 2808 H2O H2 3 0.423800 1.0079 0 - 10441 H2O 2809 H2O O1 4 -0.847600 15.9994 0 - 10442 H2O 2809 H2O H1 3 0.423800 1.0079 0 - 10443 H2O 2809 H2O H2 3 0.423800 1.0079 0 - 10444 H2O 2810 H2O O1 4 -0.847600 15.9994 0 - 10445 H2O 2810 H2O H1 3 0.423800 1.0079 0 - 10446 H2O 2810 H2O H2 3 0.423800 1.0079 0 - 10447 H2O 2811 H2O O1 4 -0.847600 15.9994 0 - 10448 H2O 2811 H2O H1 3 0.423800 1.0079 0 - 10449 H2O 2811 H2O H2 3 0.423800 1.0079 0 - 10450 H2O 2812 H2O O1 4 -0.847600 15.9994 0 - 10451 H2O 2812 H2O H1 3 0.423800 1.0079 0 - 10452 H2O 2812 H2O H2 3 0.423800 1.0079 0 - 10453 H2O 2813 H2O O1 4 -0.847600 15.9994 0 - 10454 H2O 2813 H2O H1 3 0.423800 1.0079 0 - 10455 H2O 2813 H2O H2 3 0.423800 1.0079 0 - 10456 H2O 2814 H2O O1 4 -0.847600 15.9994 0 - 10457 H2O 2814 H2O H1 3 0.423800 1.0079 0 - 10458 H2O 2814 H2O H2 3 0.423800 1.0079 0 - 10459 H2O 2815 H2O O1 4 -0.847600 15.9994 0 - 10460 H2O 2815 H2O H1 3 0.423800 1.0079 0 - 10461 H2O 2815 H2O H2 3 0.423800 1.0079 0 - 10462 H2O 2816 H2O O1 4 -0.847600 15.9994 0 - 10463 H2O 2816 H2O H1 3 0.423800 1.0079 0 - 10464 H2O 2816 H2O H2 3 0.423800 1.0079 0 - 10465 H2O 2817 H2O O1 4 -0.847600 15.9994 0 - 10466 H2O 2817 H2O H1 3 0.423800 1.0079 0 - 10467 H2O 2817 H2O H2 3 0.423800 1.0079 0 - 10468 H2O 2818 H2O O1 4 -0.847600 15.9994 0 - 10469 H2O 2818 H2O H1 3 0.423800 1.0079 0 - 10470 H2O 2818 H2O H2 3 0.423800 1.0079 0 - 10471 H2O 2819 H2O O1 4 -0.847600 15.9994 0 - 10472 H2O 2819 H2O H1 3 0.423800 1.0079 0 - 10473 H2O 2819 H2O H2 3 0.423800 1.0079 0 - 10474 H2O 2820 H2O O1 4 -0.847600 15.9994 0 - 10475 H2O 2820 H2O H1 3 0.423800 1.0079 0 - 10476 H2O 2820 H2O H2 3 0.423800 1.0079 0 - 10477 H2O 2821 H2O O1 4 -0.847600 15.9994 0 - 10478 H2O 2821 H2O H1 3 0.423800 1.0079 0 - 10479 H2O 2821 H2O H2 3 0.423800 1.0079 0 - 10480 H2O 2822 H2O O1 4 -0.847600 15.9994 0 - 10481 H2O 2822 H2O H1 3 0.423800 1.0079 0 - 10482 H2O 2822 H2O H2 3 0.423800 1.0079 0 - 10483 H2O 2823 H2O O1 4 -0.847600 15.9994 0 - 10484 H2O 2823 H2O H1 3 0.423800 1.0079 0 - 10485 H2O 2823 H2O H2 3 0.423800 1.0079 0 - 10486 H2O 2824 H2O O1 4 -0.847600 15.9994 0 - 10487 H2O 2824 H2O H1 3 0.423800 1.0079 0 - 10488 H2O 2824 H2O H2 3 0.423800 1.0079 0 - 10489 H2O 2825 H2O O1 4 -0.847600 15.9994 0 - 10490 H2O 2825 H2O H1 3 0.423800 1.0079 0 - 10491 H2O 2825 H2O H2 3 0.423800 1.0079 0 - 10492 H2O 2826 H2O O1 4 -0.847600 15.9994 0 - 10493 H2O 2826 H2O H1 3 0.423800 1.0079 0 - 10494 H2O 2826 H2O H2 3 0.423800 1.0079 0 - 10495 H2O 2827 H2O O1 4 -0.847600 15.9994 0 - 10496 H2O 2827 H2O H1 3 0.423800 1.0079 0 - 10497 H2O 2827 H2O H2 3 0.423800 1.0079 0 - 10498 H2O 2828 H2O O1 4 -0.847600 15.9994 0 - 10499 H2O 2828 H2O H1 3 0.423800 1.0079 0 - 10500 H2O 2828 H2O H2 3 0.423800 1.0079 0 - 10501 H2O 2829 H2O O1 4 -0.847600 15.9994 0 - 10502 H2O 2829 H2O H1 3 0.423800 1.0079 0 - 10503 H2O 2829 H2O H2 3 0.423800 1.0079 0 - 10504 H2O 2830 H2O O1 4 -0.847600 15.9994 0 - 10505 H2O 2830 H2O H1 3 0.423800 1.0079 0 - 10506 H2O 2830 H2O H2 3 0.423800 1.0079 0 - 10507 H2O 2831 H2O O1 4 -0.847600 15.9994 0 - 10508 H2O 2831 H2O H1 3 0.423800 1.0079 0 - 10509 H2O 2831 H2O H2 3 0.423800 1.0079 0 - 10510 H2O 2832 H2O O1 4 -0.847600 15.9994 0 - 10511 H2O 2832 H2O H1 3 0.423800 1.0079 0 - 10512 H2O 2832 H2O H2 3 0.423800 1.0079 0 - 10513 H2O 2833 H2O O1 4 -0.847600 15.9994 0 - 10514 H2O 2833 H2O H1 3 0.423800 1.0079 0 - 10515 H2O 2833 H2O H2 3 0.423800 1.0079 0 - 10516 H2O 2834 H2O O1 4 -0.847600 15.9994 0 - 10517 H2O 2834 H2O H1 3 0.423800 1.0079 0 - 10518 H2O 2834 H2O H2 3 0.423800 1.0079 0 - 10519 H2O 2835 H2O O1 4 -0.847600 15.9994 0 - 10520 H2O 2835 H2O H1 3 0.423800 1.0079 0 - 10521 H2O 2835 H2O H2 3 0.423800 1.0079 0 - 10522 H2O 2836 H2O O1 4 -0.847600 15.9994 0 - 10523 H2O 2836 H2O H1 3 0.423800 1.0079 0 - 10524 H2O 2836 H2O H2 3 0.423800 1.0079 0 - 10525 H2O 2837 H2O O1 4 -0.847600 15.9994 0 - 10526 H2O 2837 H2O H1 3 0.423800 1.0079 0 - 10527 H2O 2837 H2O H2 3 0.423800 1.0079 0 - 10528 H2O 2838 H2O O1 4 -0.847600 15.9994 0 - 10529 H2O 2838 H2O H1 3 0.423800 1.0079 0 - 10530 H2O 2838 H2O H2 3 0.423800 1.0079 0 - 10531 H2O 2839 H2O O1 4 -0.847600 15.9994 0 - 10532 H2O 2839 H2O H1 3 0.423800 1.0079 0 - 10533 H2O 2839 H2O H2 3 0.423800 1.0079 0 - 10534 H2O 2840 H2O O1 4 -0.847600 15.9994 0 - 10535 H2O 2840 H2O H1 3 0.423800 1.0079 0 - 10536 H2O 2840 H2O H2 3 0.423800 1.0079 0 - 10537 H2O 2841 H2O O1 4 -0.847600 15.9994 0 - 10538 H2O 2841 H2O H1 3 0.423800 1.0079 0 - 10539 H2O 2841 H2O H2 3 0.423800 1.0079 0 - 10540 H2O 2842 H2O O1 4 -0.847600 15.9994 0 - 10541 H2O 2842 H2O H1 3 0.423800 1.0079 0 - 10542 H2O 2842 H2O H2 3 0.423800 1.0079 0 - 10543 H2O 2843 H2O O1 4 -0.847600 15.9994 0 - 10544 H2O 2843 H2O H1 3 0.423800 1.0079 0 - 10545 H2O 2843 H2O H2 3 0.423800 1.0079 0 - 10546 H2O 2844 H2O O1 4 -0.847600 15.9994 0 - 10547 H2O 2844 H2O H1 3 0.423800 1.0079 0 - 10548 H2O 2844 H2O H2 3 0.423800 1.0079 0 - 10549 H2O 2845 H2O O1 4 -0.847600 15.9994 0 - 10550 H2O 2845 H2O H1 3 0.423800 1.0079 0 - 10551 H2O 2845 H2O H2 3 0.423800 1.0079 0 - 10552 H2O 2846 H2O O1 4 -0.847600 15.9994 0 - 10553 H2O 2846 H2O H1 3 0.423800 1.0079 0 - 10554 H2O 2846 H2O H2 3 0.423800 1.0079 0 - 10555 H2O 2847 H2O O1 4 -0.847600 15.9994 0 - 10556 H2O 2847 H2O H1 3 0.423800 1.0079 0 - 10557 H2O 2847 H2O H2 3 0.423800 1.0079 0 - 10558 H2O 2848 H2O O1 4 -0.847600 15.9994 0 - 10559 H2O 2848 H2O H1 3 0.423800 1.0079 0 - 10560 H2O 2848 H2O H2 3 0.423800 1.0079 0 - 10561 H2O 2849 H2O O1 4 -0.847600 15.9994 0 - 10562 H2O 2849 H2O H1 3 0.423800 1.0079 0 - 10563 H2O 2849 H2O H2 3 0.423800 1.0079 0 - 10564 H2O 2850 H2O O1 4 -0.847600 15.9994 0 - 10565 H2O 2850 H2O H1 3 0.423800 1.0079 0 - 10566 H2O 2850 H2O H2 3 0.423800 1.0079 0 - 10567 H2O 2851 H2O O1 4 -0.847600 15.9994 0 - 10568 H2O 2851 H2O H1 3 0.423800 1.0079 0 - 10569 H2O 2851 H2O H2 3 0.423800 1.0079 0 - 10570 H2O 2852 H2O O1 4 -0.847600 15.9994 0 - 10571 H2O 2852 H2O H1 3 0.423800 1.0079 0 - 10572 H2O 2852 H2O H2 3 0.423800 1.0079 0 - 10573 H2O 2853 H2O O1 4 -0.847600 15.9994 0 - 10574 H2O 2853 H2O H1 3 0.423800 1.0079 0 - 10575 H2O 2853 H2O H2 3 0.423800 1.0079 0 - 10576 H2O 2854 H2O O1 4 -0.847600 15.9994 0 - 10577 H2O 2854 H2O H1 3 0.423800 1.0079 0 - 10578 H2O 2854 H2O H2 3 0.423800 1.0079 0 - 10579 H2O 2855 H2O O1 4 -0.847600 15.9994 0 - 10580 H2O 2855 H2O H1 3 0.423800 1.0079 0 - 10581 H2O 2855 H2O H2 3 0.423800 1.0079 0 - 10582 H2O 2856 H2O O1 4 -0.847600 15.9994 0 - 10583 H2O 2856 H2O H1 3 0.423800 1.0079 0 - 10584 H2O 2856 H2O H2 3 0.423800 1.0079 0 - 10585 H2O 2857 H2O O1 4 -0.847600 15.9994 0 - 10586 H2O 2857 H2O H1 3 0.423800 1.0079 0 - 10587 H2O 2857 H2O H2 3 0.423800 1.0079 0 - 10588 H2O 2858 H2O O1 4 -0.847600 15.9994 0 - 10589 H2O 2858 H2O H1 3 0.423800 1.0079 0 - 10590 H2O 2858 H2O H2 3 0.423800 1.0079 0 - 10591 H2O 2859 H2O O1 4 -0.847600 15.9994 0 - 10592 H2O 2859 H2O H1 3 0.423800 1.0079 0 - 10593 H2O 2859 H2O H2 3 0.423800 1.0079 0 - 10594 H2O 2860 H2O O1 4 -0.847600 15.9994 0 - 10595 H2O 2860 H2O H1 3 0.423800 1.0079 0 - 10596 H2O 2860 H2O H2 3 0.423800 1.0079 0 - 10597 H2O 2861 H2O O1 4 -0.847600 15.9994 0 - 10598 H2O 2861 H2O H1 3 0.423800 1.0079 0 - 10599 H2O 2861 H2O H2 3 0.423800 1.0079 0 - 10600 H2O 2862 H2O O1 4 -0.847600 15.9994 0 - 10601 H2O 2862 H2O H1 3 0.423800 1.0079 0 - 10602 H2O 2862 H2O H2 3 0.423800 1.0079 0 - 10603 H2O 2863 H2O O1 4 -0.847600 15.9994 0 - 10604 H2O 2863 H2O H1 3 0.423800 1.0079 0 - 10605 H2O 2863 H2O H2 3 0.423800 1.0079 0 - 10606 H2O 2864 H2O O1 4 -0.847600 15.9994 0 - 10607 H2O 2864 H2O H1 3 0.423800 1.0079 0 - 10608 H2O 2864 H2O H2 3 0.423800 1.0079 0 - 10609 H2O 2865 H2O O1 4 -0.847600 15.9994 0 - 10610 H2O 2865 H2O H1 3 0.423800 1.0079 0 - 10611 H2O 2865 H2O H2 3 0.423800 1.0079 0 - 10612 H2O 2866 H2O O1 4 -0.847600 15.9994 0 - 10613 H2O 2866 H2O H1 3 0.423800 1.0079 0 - 10614 H2O 2866 H2O H2 3 0.423800 1.0079 0 - 10615 H2O 2867 H2O O1 4 -0.847600 15.9994 0 - 10616 H2O 2867 H2O H1 3 0.423800 1.0079 0 - 10617 H2O 2867 H2O H2 3 0.423800 1.0079 0 - 10618 H2O 2868 H2O O1 4 -0.847600 15.9994 0 - 10619 H2O 2868 H2O H1 3 0.423800 1.0079 0 - 10620 H2O 2868 H2O H2 3 0.423800 1.0079 0 - 10621 H2O 2869 H2O O1 4 -0.847600 15.9994 0 - 10622 H2O 2869 H2O H1 3 0.423800 1.0079 0 - 10623 H2O 2869 H2O H2 3 0.423800 1.0079 0 - 10624 H2O 2870 H2O O1 4 -0.847600 15.9994 0 - 10625 H2O 2870 H2O H1 3 0.423800 1.0079 0 - 10626 H2O 2870 H2O H2 3 0.423800 1.0079 0 - 10627 H2O 2871 H2O O1 4 -0.847600 15.9994 0 - 10628 H2O 2871 H2O H1 3 0.423800 1.0079 0 - 10629 H2O 2871 H2O H2 3 0.423800 1.0079 0 - 10630 H2O 2872 H2O O1 4 -0.847600 15.9994 0 - 10631 H2O 2872 H2O H1 3 0.423800 1.0079 0 - 10632 H2O 2872 H2O H2 3 0.423800 1.0079 0 - 10633 H2O 2873 H2O O1 4 -0.847600 15.9994 0 - 10634 H2O 2873 H2O H1 3 0.423800 1.0079 0 - 10635 H2O 2873 H2O H2 3 0.423800 1.0079 0 - 10636 H2O 2874 H2O O1 4 -0.847600 15.9994 0 - 10637 H2O 2874 H2O H1 3 0.423800 1.0079 0 - 10638 H2O 2874 H2O H2 3 0.423800 1.0079 0 - 10639 H2O 2875 H2O O1 4 -0.847600 15.9994 0 - 10640 H2O 2875 H2O H1 3 0.423800 1.0079 0 - 10641 H2O 2875 H2O H2 3 0.423800 1.0079 0 - 10642 H2O 2876 H2O O1 4 -0.847600 15.9994 0 - 10643 H2O 2876 H2O H1 3 0.423800 1.0079 0 - 10644 H2O 2876 H2O H2 3 0.423800 1.0079 0 - 10645 H2O 2877 H2O O1 4 -0.847600 15.9994 0 - 10646 H2O 2877 H2O H1 3 0.423800 1.0079 0 - 10647 H2O 2877 H2O H2 3 0.423800 1.0079 0 - 10648 H2O 2878 H2O O1 4 -0.847600 15.9994 0 - 10649 H2O 2878 H2O H1 3 0.423800 1.0079 0 - 10650 H2O 2878 H2O H2 3 0.423800 1.0079 0 - 10651 H2O 2879 H2O O1 4 -0.847600 15.9994 0 - 10652 H2O 2879 H2O H1 3 0.423800 1.0079 0 - 10653 H2O 2879 H2O H2 3 0.423800 1.0079 0 - 10654 H2O 2880 H2O O1 4 -0.847600 15.9994 0 - 10655 H2O 2880 H2O H1 3 0.423800 1.0079 0 - 10656 H2O 2880 H2O H2 3 0.423800 1.0079 0 - 10657 H2O 2881 H2O O1 4 -0.847600 15.9994 0 - 10658 H2O 2881 H2O H1 3 0.423800 1.0079 0 - 10659 H2O 2881 H2O H2 3 0.423800 1.0079 0 - 10660 H2O 2882 H2O O1 4 -0.847600 15.9994 0 - 10661 H2O 2882 H2O H1 3 0.423800 1.0079 0 - 10662 H2O 2882 H2O H2 3 0.423800 1.0079 0 - 10663 H2O 2883 H2O O1 4 -0.847600 15.9994 0 - 10664 H2O 2883 H2O H1 3 0.423800 1.0079 0 - 10665 H2O 2883 H2O H2 3 0.423800 1.0079 0 - 10666 H2O 2884 H2O O1 4 -0.847600 15.9994 0 - 10667 H2O 2884 H2O H1 3 0.423800 1.0079 0 - 10668 H2O 2884 H2O H2 3 0.423800 1.0079 0 - 10669 H2O 2885 H2O O1 4 -0.847600 15.9994 0 - 10670 H2O 2885 H2O H1 3 0.423800 1.0079 0 - 10671 H2O 2885 H2O H2 3 0.423800 1.0079 0 - 10672 H2O 2886 H2O O1 4 -0.847600 15.9994 0 - 10673 H2O 2886 H2O H1 3 0.423800 1.0079 0 - 10674 H2O 2886 H2O H2 3 0.423800 1.0079 0 - 10675 H2O 2887 H2O O1 4 -0.847600 15.9994 0 - 10676 H2O 2887 H2O H1 3 0.423800 1.0079 0 - 10677 H2O 2887 H2O H2 3 0.423800 1.0079 0 - 10678 H2O 2888 H2O O1 4 -0.847600 15.9994 0 - 10679 H2O 2888 H2O H1 3 0.423800 1.0079 0 - 10680 H2O 2888 H2O H2 3 0.423800 1.0079 0 - 10681 H2O 2889 H2O O1 4 -0.847600 15.9994 0 - 10682 H2O 2889 H2O H1 3 0.423800 1.0079 0 - 10683 H2O 2889 H2O H2 3 0.423800 1.0079 0 - 10684 H2O 2890 H2O O1 4 -0.847600 15.9994 0 - 10685 H2O 2890 H2O H1 3 0.423800 1.0079 0 - 10686 H2O 2890 H2O H2 3 0.423800 1.0079 0 - 10687 H2O 2891 H2O O1 4 -0.847600 15.9994 0 - 10688 H2O 2891 H2O H1 3 0.423800 1.0079 0 - 10689 H2O 2891 H2O H2 3 0.423800 1.0079 0 - 10690 H2O 2892 H2O O1 4 -0.847600 15.9994 0 - 10691 H2O 2892 H2O H1 3 0.423800 1.0079 0 - 10692 H2O 2892 H2O H2 3 0.423800 1.0079 0 - 10693 H2O 2893 H2O O1 4 -0.847600 15.9994 0 - 10694 H2O 2893 H2O H1 3 0.423800 1.0079 0 - 10695 H2O 2893 H2O H2 3 0.423800 1.0079 0 - 10696 H2O 2894 H2O O1 4 -0.847600 15.9994 0 - 10697 H2O 2894 H2O H1 3 0.423800 1.0079 0 - 10698 H2O 2894 H2O H2 3 0.423800 1.0079 0 - 10699 H2O 2895 H2O O1 4 -0.847600 15.9994 0 - 10700 H2O 2895 H2O H1 3 0.423800 1.0079 0 - 10701 H2O 2895 H2O H2 3 0.423800 1.0079 0 - 10702 H2O 2896 H2O O1 4 -0.847600 15.9994 0 - 10703 H2O 2896 H2O H1 3 0.423800 1.0079 0 - 10704 H2O 2896 H2O H2 3 0.423800 1.0079 0 - 10705 H2O 2897 H2O O1 4 -0.847600 15.9994 0 - 10706 H2O 2897 H2O H1 3 0.423800 1.0079 0 - 10707 H2O 2897 H2O H2 3 0.423800 1.0079 0 - 10708 H2O 2898 H2O O1 4 -0.847600 15.9994 0 - 10709 H2O 2898 H2O H1 3 0.423800 1.0079 0 - 10710 H2O 2898 H2O H2 3 0.423800 1.0079 0 - 10711 H2O 2899 H2O O1 4 -0.847600 15.9994 0 - 10712 H2O 2899 H2O H1 3 0.423800 1.0079 0 - 10713 H2O 2899 H2O H2 3 0.423800 1.0079 0 - 10714 H2O 2900 H2O O1 4 -0.847600 15.9994 0 - 10715 H2O 2900 H2O H1 3 0.423800 1.0079 0 - 10716 H2O 2900 H2O H2 3 0.423800 1.0079 0 - 10717 H2O 2901 H2O O1 4 -0.847600 15.9994 0 - 10718 H2O 2901 H2O H1 3 0.423800 1.0079 0 - 10719 H2O 2901 H2O H2 3 0.423800 1.0079 0 - 10720 H2O 2902 H2O O1 4 -0.847600 15.9994 0 - 10721 H2O 2902 H2O H1 3 0.423800 1.0079 0 - 10722 H2O 2902 H2O H2 3 0.423800 1.0079 0 - 10723 H2O 2903 H2O O1 4 -0.847600 15.9994 0 - 10724 H2O 2903 H2O H1 3 0.423800 1.0079 0 - 10725 H2O 2903 H2O H2 3 0.423800 1.0079 0 - 10726 H2O 2904 H2O O1 4 -0.847600 15.9994 0 - 10727 H2O 2904 H2O H1 3 0.423800 1.0079 0 - 10728 H2O 2904 H2O H2 3 0.423800 1.0079 0 - 10729 H2O 2905 H2O O1 4 -0.847600 15.9994 0 - 10730 H2O 2905 H2O H1 3 0.423800 1.0079 0 - 10731 H2O 2905 H2O H2 3 0.423800 1.0079 0 - 10732 H2O 2906 H2O O1 4 -0.847600 15.9994 0 - 10733 H2O 2906 H2O H1 3 0.423800 1.0079 0 - 10734 H2O 2906 H2O H2 3 0.423800 1.0079 0 - 10735 H2O 2907 H2O O1 4 -0.847600 15.9994 0 - 10736 H2O 2907 H2O H1 3 0.423800 1.0079 0 - 10737 H2O 2907 H2O H2 3 0.423800 1.0079 0 - 10738 H2O 2908 H2O O1 4 -0.847600 15.9994 0 - 10739 H2O 2908 H2O H1 3 0.423800 1.0079 0 - 10740 H2O 2908 H2O H2 3 0.423800 1.0079 0 - 10741 H2O 2909 H2O O1 4 -0.847600 15.9994 0 - 10742 H2O 2909 H2O H1 3 0.423800 1.0079 0 - 10743 H2O 2909 H2O H2 3 0.423800 1.0079 0 - 10744 H2O 2910 H2O O1 4 -0.847600 15.9994 0 - 10745 H2O 2910 H2O H1 3 0.423800 1.0079 0 - 10746 H2O 2910 H2O H2 3 0.423800 1.0079 0 - 10747 H2O 2911 H2O O1 4 -0.847600 15.9994 0 - 10748 H2O 2911 H2O H1 3 0.423800 1.0079 0 - 10749 H2O 2911 H2O H2 3 0.423800 1.0079 0 - 10750 H2O 2912 H2O O1 4 -0.847600 15.9994 0 - 10751 H2O 2912 H2O H1 3 0.423800 1.0079 0 - 10752 H2O 2912 H2O H2 3 0.423800 1.0079 0 - 10753 H2O 2913 H2O O1 4 -0.847600 15.9994 0 - 10754 H2O 2913 H2O H1 3 0.423800 1.0079 0 - 10755 H2O 2913 H2O H2 3 0.423800 1.0079 0 - 10756 H2O 2914 H2O O1 4 -0.847600 15.9994 0 - 10757 H2O 2914 H2O H1 3 0.423800 1.0079 0 - 10758 H2O 2914 H2O H2 3 0.423800 1.0079 0 - 10759 H2O 2915 H2O O1 4 -0.847600 15.9994 0 - 10760 H2O 2915 H2O H1 3 0.423800 1.0079 0 - 10761 H2O 2915 H2O H2 3 0.423800 1.0079 0 - 10762 H2O 2916 H2O O1 4 -0.847600 15.9994 0 - 10763 H2O 2916 H2O H1 3 0.423800 1.0079 0 - 10764 H2O 2916 H2O H2 3 0.423800 1.0079 0 - 10765 H2O 2917 H2O O1 4 -0.847600 15.9994 0 - 10766 H2O 2917 H2O H1 3 0.423800 1.0079 0 - 10767 H2O 2917 H2O H2 3 0.423800 1.0079 0 - 10768 H2O 2918 H2O O1 4 -0.847600 15.9994 0 - 10769 H2O 2918 H2O H1 3 0.423800 1.0079 0 - 10770 H2O 2918 H2O H2 3 0.423800 1.0079 0 - 10771 H2O 2919 H2O O1 4 -0.847600 15.9994 0 - 10772 H2O 2919 H2O H1 3 0.423800 1.0079 0 - 10773 H2O 2919 H2O H2 3 0.423800 1.0079 0 - 10774 H2O 2920 H2O O1 4 -0.847600 15.9994 0 - 10775 H2O 2920 H2O H1 3 0.423800 1.0079 0 - 10776 H2O 2920 H2O H2 3 0.423800 1.0079 0 - 10777 H2O 2921 H2O O1 4 -0.847600 15.9994 0 - 10778 H2O 2921 H2O H1 3 0.423800 1.0079 0 - 10779 H2O 2921 H2O H2 3 0.423800 1.0079 0 - 10780 H2O 2922 H2O O1 4 -0.847600 15.9994 0 - 10781 H2O 2922 H2O H1 3 0.423800 1.0079 0 - 10782 H2O 2922 H2O H2 3 0.423800 1.0079 0 - 10783 H2O 2923 H2O O1 4 -0.847600 15.9994 0 - 10784 H2O 2923 H2O H1 3 0.423800 1.0079 0 - 10785 H2O 2923 H2O H2 3 0.423800 1.0079 0 - 10786 H2O 2924 H2O O1 4 -0.847600 15.9994 0 - 10787 H2O 2924 H2O H1 3 0.423800 1.0079 0 - 10788 H2O 2924 H2O H2 3 0.423800 1.0079 0 - 10789 H2O 2925 H2O O1 4 -0.847600 15.9994 0 - 10790 H2O 2925 H2O H1 3 0.423800 1.0079 0 - 10791 H2O 2925 H2O H2 3 0.423800 1.0079 0 - 10792 H2O 2926 H2O O1 4 -0.847600 15.9994 0 - 10793 H2O 2926 H2O H1 3 0.423800 1.0079 0 - 10794 H2O 2926 H2O H2 3 0.423800 1.0079 0 - 10795 H2O 2927 H2O O1 4 -0.847600 15.9994 0 - 10796 H2O 2927 H2O H1 3 0.423800 1.0079 0 - 10797 H2O 2927 H2O H2 3 0.423800 1.0079 0 - 10798 H2O 2928 H2O O1 4 -0.847600 15.9994 0 - 10799 H2O 2928 H2O H1 3 0.423800 1.0079 0 - 10800 H2O 2928 H2O H2 3 0.423800 1.0079 0 - 10801 H2O 2929 H2O O1 4 -0.847600 15.9994 0 - 10802 H2O 2929 H2O H1 3 0.423800 1.0079 0 - 10803 H2O 2929 H2O H2 3 0.423800 1.0079 0 - 10804 H2O 2930 H2O O1 4 -0.847600 15.9994 0 - 10805 H2O 2930 H2O H1 3 0.423800 1.0079 0 - 10806 H2O 2930 H2O H2 3 0.423800 1.0079 0 - 10807 H2O 2931 H2O O1 4 -0.847600 15.9994 0 - 10808 H2O 2931 H2O H1 3 0.423800 1.0079 0 - 10809 H2O 2931 H2O H2 3 0.423800 1.0079 0 - 10810 H2O 2932 H2O O1 4 -0.847600 15.9994 0 - 10811 H2O 2932 H2O H1 3 0.423800 1.0079 0 - 10812 H2O 2932 H2O H2 3 0.423800 1.0079 0 - 10813 H2O 2933 H2O O1 4 -0.847600 15.9994 0 - 10814 H2O 2933 H2O H1 3 0.423800 1.0079 0 - 10815 H2O 2933 H2O H2 3 0.423800 1.0079 0 - 10816 H2O 2934 H2O O1 4 -0.847600 15.9994 0 - 10817 H2O 2934 H2O H1 3 0.423800 1.0079 0 - 10818 H2O 2934 H2O H2 3 0.423800 1.0079 0 - 10819 H2O 2935 H2O O1 4 -0.847600 15.9994 0 - 10820 H2O 2935 H2O H1 3 0.423800 1.0079 0 - 10821 H2O 2935 H2O H2 3 0.423800 1.0079 0 - 10822 H2O 2936 H2O O1 4 -0.847600 15.9994 0 - 10823 H2O 2936 H2O H1 3 0.423800 1.0079 0 - 10824 H2O 2936 H2O H2 3 0.423800 1.0079 0 - 10825 H2O 2937 H2O O1 4 -0.847600 15.9994 0 - 10826 H2O 2937 H2O H1 3 0.423800 1.0079 0 - 10827 H2O 2937 H2O H2 3 0.423800 1.0079 0 - 10828 H2O 2938 H2O O1 4 -0.847600 15.9994 0 - 10829 H2O 2938 H2O H1 3 0.423800 1.0079 0 - 10830 H2O 2938 H2O H2 3 0.423800 1.0079 0 - 10831 H2O 2939 H2O O1 4 -0.847600 15.9994 0 - 10832 H2O 2939 H2O H1 3 0.423800 1.0079 0 - 10833 H2O 2939 H2O H2 3 0.423800 1.0079 0 - 10834 H2O 2940 H2O O1 4 -0.847600 15.9994 0 - 10835 H2O 2940 H2O H1 3 0.423800 1.0079 0 - 10836 H2O 2940 H2O H2 3 0.423800 1.0079 0 - 10837 H2O 2941 H2O O1 4 -0.847600 15.9994 0 - 10838 H2O 2941 H2O H1 3 0.423800 1.0079 0 - 10839 H2O 2941 H2O H2 3 0.423800 1.0079 0 - 10840 H2O 2942 H2O O1 4 -0.847600 15.9994 0 - 10841 H2O 2942 H2O H1 3 0.423800 1.0079 0 - 10842 H2O 2942 H2O H2 3 0.423800 1.0079 0 - 10843 H2O 2943 H2O O1 4 -0.847600 15.9994 0 - 10844 H2O 2943 H2O H1 3 0.423800 1.0079 0 - 10845 H2O 2943 H2O H2 3 0.423800 1.0079 0 - 10846 H2O 2944 H2O O1 4 -0.847600 15.9994 0 - 10847 H2O 2944 H2O H1 3 0.423800 1.0079 0 - 10848 H2O 2944 H2O H2 3 0.423800 1.0079 0 - 10849 H2O 2945 H2O O1 4 -0.847600 15.9994 0 - 10850 H2O 2945 H2O H1 3 0.423800 1.0079 0 - 10851 H2O 2945 H2O H2 3 0.423800 1.0079 0 - 10852 H2O 2946 H2O O1 4 -0.847600 15.9994 0 - 10853 H2O 2946 H2O H1 3 0.423800 1.0079 0 - 10854 H2O 2946 H2O H2 3 0.423800 1.0079 0 - 10855 H2O 2947 H2O O1 4 -0.847600 15.9994 0 - 10856 H2O 2947 H2O H1 3 0.423800 1.0079 0 - 10857 H2O 2947 H2O H2 3 0.423800 1.0079 0 - 10858 H2O 2948 H2O O1 4 -0.847600 15.9994 0 - 10859 H2O 2948 H2O H1 3 0.423800 1.0079 0 - 10860 H2O 2948 H2O H2 3 0.423800 1.0079 0 - 10861 H2O 2949 H2O O1 4 -0.847600 15.9994 0 - 10862 H2O 2949 H2O H1 3 0.423800 1.0079 0 - 10863 H2O 2949 H2O H2 3 0.423800 1.0079 0 - 10864 H2O 2950 H2O O1 4 -0.847600 15.9994 0 - 10865 H2O 2950 H2O H1 3 0.423800 1.0079 0 - 10866 H2O 2950 H2O H2 3 0.423800 1.0079 0 - 10867 H2O 2951 H2O O1 4 -0.847600 15.9994 0 - 10868 H2O 2951 H2O H1 3 0.423800 1.0079 0 - 10869 H2O 2951 H2O H2 3 0.423800 1.0079 0 - 10870 H2O 2952 H2O O1 4 -0.847600 15.9994 0 - 10871 H2O 2952 H2O H1 3 0.423800 1.0079 0 - 10872 H2O 2952 H2O H2 3 0.423800 1.0079 0 - 10873 H2O 2953 H2O O1 4 -0.847600 15.9994 0 - 10874 H2O 2953 H2O H1 3 0.423800 1.0079 0 - 10875 H2O 2953 H2O H2 3 0.423800 1.0079 0 - 10876 H2O 2954 H2O O1 4 -0.847600 15.9994 0 - 10877 H2O 2954 H2O H1 3 0.423800 1.0079 0 - 10878 H2O 2954 H2O H2 3 0.423800 1.0079 0 - 10879 H2O 2955 H2O O1 4 -0.847600 15.9994 0 - 10880 H2O 2955 H2O H1 3 0.423800 1.0079 0 - 10881 H2O 2955 H2O H2 3 0.423800 1.0079 0 - 10882 H2O 2956 H2O O1 4 -0.847600 15.9994 0 - 10883 H2O 2956 H2O H1 3 0.423800 1.0079 0 - 10884 H2O 2956 H2O H2 3 0.423800 1.0079 0 - 10885 H2O 2957 H2O O1 4 -0.847600 15.9994 0 - 10886 H2O 2957 H2O H1 3 0.423800 1.0079 0 - 10887 H2O 2957 H2O H2 3 0.423800 1.0079 0 - 10888 H2O 2958 H2O O1 4 -0.847600 15.9994 0 - 10889 H2O 2958 H2O H1 3 0.423800 1.0079 0 - 10890 H2O 2958 H2O H2 3 0.423800 1.0079 0 - 10891 H2O 2959 H2O O1 4 -0.847600 15.9994 0 - 10892 H2O 2959 H2O H1 3 0.423800 1.0079 0 - 10893 H2O 2959 H2O H2 3 0.423800 1.0079 0 - 10894 H2O 2960 H2O O1 4 -0.847600 15.9994 0 - 10895 H2O 2960 H2O H1 3 0.423800 1.0079 0 - 10896 H2O 2960 H2O H2 3 0.423800 1.0079 0 - 10897 H2O 2961 H2O O1 4 -0.847600 15.9994 0 - 10898 H2O 2961 H2O H1 3 0.423800 1.0079 0 - 10899 H2O 2961 H2O H2 3 0.423800 1.0079 0 - 10900 H2O 2962 H2O O1 4 -0.847600 15.9994 0 - 10901 H2O 2962 H2O H1 3 0.423800 1.0079 0 - 10902 H2O 2962 H2O H2 3 0.423800 1.0079 0 - 10903 H2O 2963 H2O O1 4 -0.847600 15.9994 0 - 10904 H2O 2963 H2O H1 3 0.423800 1.0079 0 - 10905 H2O 2963 H2O H2 3 0.423800 1.0079 0 - 10906 H2O 2964 H2O O1 4 -0.847600 15.9994 0 - 10907 H2O 2964 H2O H1 3 0.423800 1.0079 0 - 10908 H2O 2964 H2O H2 3 0.423800 1.0079 0 - 10909 H2O 2965 H2O O1 4 -0.847600 15.9994 0 - 10910 H2O 2965 H2O H1 3 0.423800 1.0079 0 - 10911 H2O 2965 H2O H2 3 0.423800 1.0079 0 - 10912 H2O 2966 H2O O1 4 -0.847600 15.9994 0 - 10913 H2O 2966 H2O H1 3 0.423800 1.0079 0 - 10914 H2O 2966 H2O H2 3 0.423800 1.0079 0 - 10915 H2O 2967 H2O O1 4 -0.847600 15.9994 0 - 10916 H2O 2967 H2O H1 3 0.423800 1.0079 0 - 10917 H2O 2967 H2O H2 3 0.423800 1.0079 0 - 10918 H2O 2968 H2O O1 4 -0.847600 15.9994 0 - 10919 H2O 2968 H2O H1 3 0.423800 1.0079 0 - 10920 H2O 2968 H2O H2 3 0.423800 1.0079 0 - 10921 H2O 2969 H2O O1 4 -0.847600 15.9994 0 - 10922 H2O 2969 H2O H1 3 0.423800 1.0079 0 - 10923 H2O 2969 H2O H2 3 0.423800 1.0079 0 - 10924 H2O 2970 H2O O1 4 -0.847600 15.9994 0 - 10925 H2O 2970 H2O H1 3 0.423800 1.0079 0 - 10926 H2O 2970 H2O H2 3 0.423800 1.0079 0 - 10927 H2O 2971 H2O O1 4 -0.847600 15.9994 0 - 10928 H2O 2971 H2O H1 3 0.423800 1.0079 0 - 10929 H2O 2971 H2O H2 3 0.423800 1.0079 0 - 10930 H2O 2972 H2O O1 4 -0.847600 15.9994 0 - 10931 H2O 2972 H2O H1 3 0.423800 1.0079 0 - 10932 H2O 2972 H2O H2 3 0.423800 1.0079 0 - 10933 H2O 2973 H2O O1 4 -0.847600 15.9994 0 - 10934 H2O 2973 H2O H1 3 0.423800 1.0079 0 - 10935 H2O 2973 H2O H2 3 0.423800 1.0079 0 - 10936 H2O 2974 H2O O1 4 -0.847600 15.9994 0 - 10937 H2O 2974 H2O H1 3 0.423800 1.0079 0 - 10938 H2O 2974 H2O H2 3 0.423800 1.0079 0 - 10939 H2O 2975 H2O O1 4 -0.847600 15.9994 0 - 10940 H2O 2975 H2O H1 3 0.423800 1.0079 0 - 10941 H2O 2975 H2O H2 3 0.423800 1.0079 0 - 10942 H2O 2976 H2O O1 4 -0.847600 15.9994 0 - 10943 H2O 2976 H2O H1 3 0.423800 1.0079 0 - 10944 H2O 2976 H2O H2 3 0.423800 1.0079 0 - 10945 H2O 2977 H2O O1 4 -0.847600 15.9994 0 - 10946 H2O 2977 H2O H1 3 0.423800 1.0079 0 - 10947 H2O 2977 H2O H2 3 0.423800 1.0079 0 - 10948 H2O 2978 H2O O1 4 -0.847600 15.9994 0 - 10949 H2O 2978 H2O H1 3 0.423800 1.0079 0 - 10950 H2O 2978 H2O H2 3 0.423800 1.0079 0 - 10951 H2O 2979 H2O O1 4 -0.847600 15.9994 0 - 10952 H2O 2979 H2O H1 3 0.423800 1.0079 0 - 10953 H2O 2979 H2O H2 3 0.423800 1.0079 0 - 10954 H2O 2980 H2O O1 4 -0.847600 15.9994 0 - 10955 H2O 2980 H2O H1 3 0.423800 1.0079 0 - 10956 H2O 2980 H2O H2 3 0.423800 1.0079 0 - 10957 H2O 2981 H2O O1 4 -0.847600 15.9994 0 - 10958 H2O 2981 H2O H1 3 0.423800 1.0079 0 - 10959 H2O 2981 H2O H2 3 0.423800 1.0079 0 - 10960 H2O 2982 H2O O1 4 -0.847600 15.9994 0 - 10961 H2O 2982 H2O H1 3 0.423800 1.0079 0 - 10962 H2O 2982 H2O H2 3 0.423800 1.0079 0 - 10963 H2O 2983 H2O O1 4 -0.847600 15.9994 0 - 10964 H2O 2983 H2O H1 3 0.423800 1.0079 0 - 10965 H2O 2983 H2O H2 3 0.423800 1.0079 0 - 10966 H2O 2984 H2O O1 4 -0.847600 15.9994 0 - 10967 H2O 2984 H2O H1 3 0.423800 1.0079 0 - 10968 H2O 2984 H2O H2 3 0.423800 1.0079 0 - 10969 H2O 2985 H2O O1 4 -0.847600 15.9994 0 - 10970 H2O 2985 H2O H1 3 0.423800 1.0079 0 - 10971 H2O 2985 H2O H2 3 0.423800 1.0079 0 - 10972 H2O 2986 H2O O1 4 -0.847600 15.9994 0 - 10973 H2O 2986 H2O H1 3 0.423800 1.0079 0 - 10974 H2O 2986 H2O H2 3 0.423800 1.0079 0 - 10975 H2O 2987 H2O O1 4 -0.847600 15.9994 0 - 10976 H2O 2987 H2O H1 3 0.423800 1.0079 0 - 10977 H2O 2987 H2O H2 3 0.423800 1.0079 0 - 10978 H2O 2988 H2O O1 4 -0.847600 15.9994 0 - 10979 H2O 2988 H2O H1 3 0.423800 1.0079 0 - 10980 H2O 2988 H2O H2 3 0.423800 1.0079 0 - 10981 H2O 2989 H2O O1 4 -0.847600 15.9994 0 - 10982 H2O 2989 H2O H1 3 0.423800 1.0079 0 - 10983 H2O 2989 H2O H2 3 0.423800 1.0079 0 - 10984 H2O 2990 H2O O1 4 -0.847600 15.9994 0 - 10985 H2O 2990 H2O H1 3 0.423800 1.0079 0 - 10986 H2O 2990 H2O H2 3 0.423800 1.0079 0 - 10987 H2O 2991 H2O O1 4 -0.847600 15.9994 0 - 10988 H2O 2991 H2O H1 3 0.423800 1.0079 0 - 10989 H2O 2991 H2O H2 3 0.423800 1.0079 0 - 10990 H2O 2992 H2O O1 4 -0.847600 15.9994 0 - 10991 H2O 2992 H2O H1 3 0.423800 1.0079 0 - 10992 H2O 2992 H2O H2 3 0.423800 1.0079 0 - 10993 H2O 2993 H2O O1 4 -0.847600 15.9994 0 - 10994 H2O 2993 H2O H1 3 0.423800 1.0079 0 - 10995 H2O 2993 H2O H2 3 0.423800 1.0079 0 - 10996 H2O 2994 H2O O1 4 -0.847600 15.9994 0 - 10997 H2O 2994 H2O H1 3 0.423800 1.0079 0 - 10998 H2O 2994 H2O H2 3 0.423800 1.0079 0 - 10999 H2O 2995 H2O O1 4 -0.847600 15.9994 0 - 11000 H2O 2995 H2O H1 3 0.423800 1.0079 0 - 11001 H2O 2995 H2O H2 3 0.423800 1.0079 0 - 11002 H2O 2996 H2O O1 4 -0.847600 15.9994 0 - 11003 H2O 2996 H2O H1 3 0.423800 1.0079 0 - 11004 H2O 2996 H2O H2 3 0.423800 1.0079 0 - 11005 H2O 2997 H2O O1 4 -0.847600 15.9994 0 - 11006 H2O 2997 H2O H1 3 0.423800 1.0079 0 - 11007 H2O 2997 H2O H2 3 0.423800 1.0079 0 - 11008 H2O 2998 H2O O1 4 -0.847600 15.9994 0 - 11009 H2O 2998 H2O H1 3 0.423800 1.0079 0 - 11010 H2O 2998 H2O H2 3 0.423800 1.0079 0 - 11011 H2O 2999 H2O O1 4 -0.847600 15.9994 0 - 11012 H2O 2999 H2O H1 3 0.423800 1.0079 0 - 11013 H2O 2999 H2O H2 3 0.423800 1.0079 0 - 11014 H2O 3000 H2O O1 4 -0.847600 15.9994 0 - 11015 H2O 3000 H2O H1 3 0.423800 1.0079 0 - 11016 H2O 3000 H2O H2 3 0.423800 1.0079 0 - 11017 H2O 3001 H2O O1 4 -0.847600 15.9994 0 - 11018 H2O 3001 H2O H1 3 0.423800 1.0079 0 - 11019 H2O 3001 H2O H2 3 0.423800 1.0079 0 - 11020 H2O 3002 H2O O1 4 -0.847600 15.9994 0 - 11021 H2O 3002 H2O H1 3 0.423800 1.0079 0 - 11022 H2O 3002 H2O H2 3 0.423800 1.0079 0 - 11023 H2O 3003 H2O O1 4 -0.847600 15.9994 0 - 11024 H2O 3003 H2O H1 3 0.423800 1.0079 0 - 11025 H2O 3003 H2O H2 3 0.423800 1.0079 0 - 11026 H2O 3004 H2O O1 4 -0.847600 15.9994 0 - 11027 H2O 3004 H2O H1 3 0.423800 1.0079 0 - 11028 H2O 3004 H2O H2 3 0.423800 1.0079 0 - 11029 H2O 3005 H2O O1 4 -0.847600 15.9994 0 - 11030 H2O 3005 H2O H1 3 0.423800 1.0079 0 - 11031 H2O 3005 H2O H2 3 0.423800 1.0079 0 - 11032 H2O 3006 H2O O1 4 -0.847600 15.9994 0 - 11033 H2O 3006 H2O H1 3 0.423800 1.0079 0 - 11034 H2O 3006 H2O H2 3 0.423800 1.0079 0 - 11035 H2O 3007 H2O O1 4 -0.847600 15.9994 0 - 11036 H2O 3007 H2O H1 3 0.423800 1.0079 0 - 11037 H2O 3007 H2O H2 3 0.423800 1.0079 0 - 11038 H2O 3008 H2O O1 4 -0.847600 15.9994 0 - 11039 H2O 3008 H2O H1 3 0.423800 1.0079 0 - 11040 H2O 3008 H2O H2 3 0.423800 1.0079 0 - 11041 H2O 3009 H2O O1 4 -0.847600 15.9994 0 - 11042 H2O 3009 H2O H1 3 0.423800 1.0079 0 - 11043 H2O 3009 H2O H2 3 0.423800 1.0079 0 - 11044 H2O 3010 H2O O1 4 -0.847600 15.9994 0 - 11045 H2O 3010 H2O H1 3 0.423800 1.0079 0 - 11046 H2O 3010 H2O H2 3 0.423800 1.0079 0 - 11047 H2O 3011 H2O O1 4 -0.847600 15.9994 0 - 11048 H2O 3011 H2O H1 3 0.423800 1.0079 0 - 11049 H2O 3011 H2O H2 3 0.423800 1.0079 0 - 11050 H2O 3012 H2O O1 4 -0.847600 15.9994 0 - 11051 H2O 3012 H2O H1 3 0.423800 1.0079 0 - 11052 H2O 3012 H2O H2 3 0.423800 1.0079 0 - 11053 H2O 3013 H2O O1 4 -0.847600 15.9994 0 - 11054 H2O 3013 H2O H1 3 0.423800 1.0079 0 - 11055 H2O 3013 H2O H2 3 0.423800 1.0079 0 - 11056 H2O 3014 H2O O1 4 -0.847600 15.9994 0 - 11057 H2O 3014 H2O H1 3 0.423800 1.0079 0 - 11058 H2O 3014 H2O H2 3 0.423800 1.0079 0 - 11059 H2O 3015 H2O O1 4 -0.847600 15.9994 0 - 11060 H2O 3015 H2O H1 3 0.423800 1.0079 0 - 11061 H2O 3015 H2O H2 3 0.423800 1.0079 0 - 11062 H2O 3016 H2O O1 4 -0.847600 15.9994 0 - 11063 H2O 3016 H2O H1 3 0.423800 1.0079 0 - 11064 H2O 3016 H2O H2 3 0.423800 1.0079 0 - 11065 H2O 3017 H2O O1 4 -0.847600 15.9994 0 - 11066 H2O 3017 H2O H1 3 0.423800 1.0079 0 - 11067 H2O 3017 H2O H2 3 0.423800 1.0079 0 - 11068 H2O 3018 H2O O1 4 -0.847600 15.9994 0 - 11069 H2O 3018 H2O H1 3 0.423800 1.0079 0 - 11070 H2O 3018 H2O H2 3 0.423800 1.0079 0 - 11071 H2O 3019 H2O O1 4 -0.847600 15.9994 0 - 11072 H2O 3019 H2O H1 3 0.423800 1.0079 0 - 11073 H2O 3019 H2O H2 3 0.423800 1.0079 0 - 11074 H2O 3020 H2O O1 4 -0.847600 15.9994 0 - 11075 H2O 3020 H2O H1 3 0.423800 1.0079 0 - 11076 H2O 3020 H2O H2 3 0.423800 1.0079 0 - 11077 H2O 3021 H2O O1 4 -0.847600 15.9994 0 - 11078 H2O 3021 H2O H1 3 0.423800 1.0079 0 - 11079 H2O 3021 H2O H2 3 0.423800 1.0079 0 - 11080 H2O 3022 H2O O1 4 -0.847600 15.9994 0 - 11081 H2O 3022 H2O H1 3 0.423800 1.0079 0 - 11082 H2O 3022 H2O H2 3 0.423800 1.0079 0 - 11083 H2O 3023 H2O O1 4 -0.847600 15.9994 0 - 11084 H2O 3023 H2O H1 3 0.423800 1.0079 0 - 11085 H2O 3023 H2O H2 3 0.423800 1.0079 0 - 11086 H2O 3024 H2O O1 4 -0.847600 15.9994 0 - 11087 H2O 3024 H2O H1 3 0.423800 1.0079 0 - 11088 H2O 3024 H2O H2 3 0.423800 1.0079 0 - 11089 H2O 3025 H2O O1 4 -0.847600 15.9994 0 - 11090 H2O 3025 H2O H1 3 0.423800 1.0079 0 - 11091 H2O 3025 H2O H2 3 0.423800 1.0079 0 - 11092 H2O 3026 H2O O1 4 -0.847600 15.9994 0 - 11093 H2O 3026 H2O H1 3 0.423800 1.0079 0 - 11094 H2O 3026 H2O H2 3 0.423800 1.0079 0 - 11095 H2O 3027 H2O O1 4 -0.847600 15.9994 0 - 11096 H2O 3027 H2O H1 3 0.423800 1.0079 0 - 11097 H2O 3027 H2O H2 3 0.423800 1.0079 0 - 11098 H2O 3028 H2O O1 4 -0.847600 15.9994 0 - 11099 H2O 3028 H2O H1 3 0.423800 1.0079 0 - 11100 H2O 3028 H2O H2 3 0.423800 1.0079 0 - 11101 H2O 3029 H2O O1 4 -0.847600 15.9994 0 - 11102 H2O 3029 H2O H1 3 0.423800 1.0079 0 - 11103 H2O 3029 H2O H2 3 0.423800 1.0079 0 - 11104 H2O 3030 H2O O1 4 -0.847600 15.9994 0 - 11105 H2O 3030 H2O H1 3 0.423800 1.0079 0 - 11106 H2O 3030 H2O H2 3 0.423800 1.0079 0 - 11107 H2O 3031 H2O O1 4 -0.847600 15.9994 0 - 11108 H2O 3031 H2O H1 3 0.423800 1.0079 0 - 11109 H2O 3031 H2O H2 3 0.423800 1.0079 0 - 11110 H2O 3032 H2O O1 4 -0.847600 15.9994 0 - 11111 H2O 3032 H2O H1 3 0.423800 1.0079 0 - 11112 H2O 3032 H2O H2 3 0.423800 1.0079 0 - 11113 H2O 3033 H2O O1 4 -0.847600 15.9994 0 - 11114 H2O 3033 H2O H1 3 0.423800 1.0079 0 - 11115 H2O 3033 H2O H2 3 0.423800 1.0079 0 - 11116 H2O 3034 H2O O1 4 -0.847600 15.9994 0 - 11117 H2O 3034 H2O H1 3 0.423800 1.0079 0 - 11118 H2O 3034 H2O H2 3 0.423800 1.0079 0 - 11119 H2O 3035 H2O O1 4 -0.847600 15.9994 0 - 11120 H2O 3035 H2O H1 3 0.423800 1.0079 0 - 11121 H2O 3035 H2O H2 3 0.423800 1.0079 0 - 11122 H2O 3036 H2O O1 4 -0.847600 15.9994 0 - 11123 H2O 3036 H2O H1 3 0.423800 1.0079 0 - 11124 H2O 3036 H2O H2 3 0.423800 1.0079 0 - 11125 H2O 3037 H2O O1 4 -0.847600 15.9994 0 - 11126 H2O 3037 H2O H1 3 0.423800 1.0079 0 - 11127 H2O 3037 H2O H2 3 0.423800 1.0079 0 - 11128 H2O 3038 H2O O1 4 -0.847600 15.9994 0 - 11129 H2O 3038 H2O H1 3 0.423800 1.0079 0 - 11130 H2O 3038 H2O H2 3 0.423800 1.0079 0 - 11131 H2O 3039 H2O O1 4 -0.847600 15.9994 0 - 11132 H2O 3039 H2O H1 3 0.423800 1.0079 0 - 11133 H2O 3039 H2O H2 3 0.423800 1.0079 0 - 11134 H2O 3040 H2O O1 4 -0.847600 15.9994 0 - 11135 H2O 3040 H2O H1 3 0.423800 1.0079 0 - 11136 H2O 3040 H2O H2 3 0.423800 1.0079 0 - 11137 H2O 3041 H2O O1 4 -0.847600 15.9994 0 - 11138 H2O 3041 H2O H1 3 0.423800 1.0079 0 - 11139 H2O 3041 H2O H2 3 0.423800 1.0079 0 - 11140 H2O 3042 H2O O1 4 -0.847600 15.9994 0 - 11141 H2O 3042 H2O H1 3 0.423800 1.0079 0 - 11142 H2O 3042 H2O H2 3 0.423800 1.0079 0 - 11143 H2O 3043 H2O O1 4 -0.847600 15.9994 0 - 11144 H2O 3043 H2O H1 3 0.423800 1.0079 0 - 11145 H2O 3043 H2O H2 3 0.423800 1.0079 0 - 11146 H2O 3044 H2O O1 4 -0.847600 15.9994 0 - 11147 H2O 3044 H2O H1 3 0.423800 1.0079 0 - 11148 H2O 3044 H2O H2 3 0.423800 1.0079 0 - 11149 H2O 3045 H2O O1 4 -0.847600 15.9994 0 - 11150 H2O 3045 H2O H1 3 0.423800 1.0079 0 - 11151 H2O 3045 H2O H2 3 0.423800 1.0079 0 - 11152 H2O 3046 H2O O1 4 -0.847600 15.9994 0 - 11153 H2O 3046 H2O H1 3 0.423800 1.0079 0 - 11154 H2O 3046 H2O H2 3 0.423800 1.0079 0 - 11155 H2O 3047 H2O O1 4 -0.847600 15.9994 0 - 11156 H2O 3047 H2O H1 3 0.423800 1.0079 0 - 11157 H2O 3047 H2O H2 3 0.423800 1.0079 0 - 11158 H2O 3048 H2O O1 4 -0.847600 15.9994 0 - 11159 H2O 3048 H2O H1 3 0.423800 1.0079 0 - 11160 H2O 3048 H2O H2 3 0.423800 1.0079 0 - 11161 H2O 3049 H2O O1 4 -0.847600 15.9994 0 - 11162 H2O 3049 H2O H1 3 0.423800 1.0079 0 - 11163 H2O 3049 H2O H2 3 0.423800 1.0079 0 - 11164 H2O 3050 H2O O1 4 -0.847600 15.9994 0 - 11165 H2O 3050 H2O H1 3 0.423800 1.0079 0 - 11166 H2O 3050 H2O H2 3 0.423800 1.0079 0 - 11167 H2O 3051 H2O O1 4 -0.847600 15.9994 0 - 11168 H2O 3051 H2O H1 3 0.423800 1.0079 0 - 11169 H2O 3051 H2O H2 3 0.423800 1.0079 0 - 11170 H2O 3052 H2O O1 4 -0.847600 15.9994 0 - 11171 H2O 3052 H2O H1 3 0.423800 1.0079 0 - 11172 H2O 3052 H2O H2 3 0.423800 1.0079 0 - 11173 H2O 3053 H2O O1 4 -0.847600 15.9994 0 - 11174 H2O 3053 H2O H1 3 0.423800 1.0079 0 - 11175 H2O 3053 H2O H2 3 0.423800 1.0079 0 - 11176 H2O 3054 H2O O1 4 -0.847600 15.9994 0 - 11177 H2O 3054 H2O H1 3 0.423800 1.0079 0 - 11178 H2O 3054 H2O H2 3 0.423800 1.0079 0 - 11179 H2O 3055 H2O O1 4 -0.847600 15.9994 0 - 11180 H2O 3055 H2O H1 3 0.423800 1.0079 0 - 11181 H2O 3055 H2O H2 3 0.423800 1.0079 0 - 11182 H2O 3056 H2O O1 4 -0.847600 15.9994 0 - 11183 H2O 3056 H2O H1 3 0.423800 1.0079 0 - 11184 H2O 3056 H2O H2 3 0.423800 1.0079 0 - 11185 H2O 3057 H2O O1 4 -0.847600 15.9994 0 - 11186 H2O 3057 H2O H1 3 0.423800 1.0079 0 - 11187 H2O 3057 H2O H2 3 0.423800 1.0079 0 - 11188 H2O 3058 H2O O1 4 -0.847600 15.9994 0 - 11189 H2O 3058 H2O H1 3 0.423800 1.0079 0 - 11190 H2O 3058 H2O H2 3 0.423800 1.0079 0 - 11191 H2O 3059 H2O O1 4 -0.847600 15.9994 0 - 11192 H2O 3059 H2O H1 3 0.423800 1.0079 0 - 11193 H2O 3059 H2O H2 3 0.423800 1.0079 0 - 11194 H2O 3060 H2O O1 4 -0.847600 15.9994 0 - 11195 H2O 3060 H2O H1 3 0.423800 1.0079 0 - 11196 H2O 3060 H2O H2 3 0.423800 1.0079 0 - 11197 H2O 3061 H2O O1 4 -0.847600 15.9994 0 - 11198 H2O 3061 H2O H1 3 0.423800 1.0079 0 - 11199 H2O 3061 H2O H2 3 0.423800 1.0079 0 - 11200 H2O 3062 H2O O1 4 -0.847600 15.9994 0 - 11201 H2O 3062 H2O H1 3 0.423800 1.0079 0 - 11202 H2O 3062 H2O H2 3 0.423800 1.0079 0 - 11203 H2O 3063 H2O O1 4 -0.847600 15.9994 0 - 11204 H2O 3063 H2O H1 3 0.423800 1.0079 0 - 11205 H2O 3063 H2O H2 3 0.423800 1.0079 0 - 11206 H2O 3064 H2O O1 4 -0.847600 15.9994 0 - 11207 H2O 3064 H2O H1 3 0.423800 1.0079 0 - 11208 H2O 3064 H2O H2 3 0.423800 1.0079 0 - 11209 H2O 3065 H2O O1 4 -0.847600 15.9994 0 - 11210 H2O 3065 H2O H1 3 0.423800 1.0079 0 - 11211 H2O 3065 H2O H2 3 0.423800 1.0079 0 - 11212 H2O 3066 H2O O1 4 -0.847600 15.9994 0 - 11213 H2O 3066 H2O H1 3 0.423800 1.0079 0 - 11214 H2O 3066 H2O H2 3 0.423800 1.0079 0 - 11215 H2O 3067 H2O O1 4 -0.847600 15.9994 0 - 11216 H2O 3067 H2O H1 3 0.423800 1.0079 0 - 11217 H2O 3067 H2O H2 3 0.423800 1.0079 0 - 11218 H2O 3068 H2O O1 4 -0.847600 15.9994 0 - 11219 H2O 3068 H2O H1 3 0.423800 1.0079 0 - 11220 H2O 3068 H2O H2 3 0.423800 1.0079 0 - 11221 H2O 3069 H2O O1 4 -0.847600 15.9994 0 - 11222 H2O 3069 H2O H1 3 0.423800 1.0079 0 - 11223 H2O 3069 H2O H2 3 0.423800 1.0079 0 - 11224 H2O 3070 H2O O1 4 -0.847600 15.9994 0 - 11225 H2O 3070 H2O H1 3 0.423800 1.0079 0 - 11226 H2O 3070 H2O H2 3 0.423800 1.0079 0 - 11227 H2O 3071 H2O O1 4 -0.847600 15.9994 0 - 11228 H2O 3071 H2O H1 3 0.423800 1.0079 0 - 11229 H2O 3071 H2O H2 3 0.423800 1.0079 0 - 11230 H2O 3072 H2O O1 4 -0.847600 15.9994 0 - 11231 H2O 3072 H2O H1 3 0.423800 1.0079 0 - 11232 H2O 3072 H2O H2 3 0.423800 1.0079 0 - 11233 H2O 3073 H2O O1 4 -0.847600 15.9994 0 - 11234 H2O 3073 H2O H1 3 0.423800 1.0079 0 - 11235 H2O 3073 H2O H2 3 0.423800 1.0079 0 - 11236 H2O 3074 H2O O1 4 -0.847600 15.9994 0 - 11237 H2O 3074 H2O H1 3 0.423800 1.0079 0 - 11238 H2O 3074 H2O H2 3 0.423800 1.0079 0 - 11239 H2O 3075 H2O O1 4 -0.847600 15.9994 0 - 11240 H2O 3075 H2O H1 3 0.423800 1.0079 0 - 11241 H2O 3075 H2O H2 3 0.423800 1.0079 0 - 11242 H2O 3076 H2O O1 4 -0.847600 15.9994 0 - 11243 H2O 3076 H2O H1 3 0.423800 1.0079 0 - 11244 H2O 3076 H2O H2 3 0.423800 1.0079 0 - 11245 H2O 3077 H2O O1 4 -0.847600 15.9994 0 - 11246 H2O 3077 H2O H1 3 0.423800 1.0079 0 - 11247 H2O 3077 H2O H2 3 0.423800 1.0079 0 - 11248 H2O 3078 H2O O1 4 -0.847600 15.9994 0 - 11249 H2O 3078 H2O H1 3 0.423800 1.0079 0 - 11250 H2O 3078 H2O H2 3 0.423800 1.0079 0 - 11251 H2O 3079 H2O O1 4 -0.847600 15.9994 0 - 11252 H2O 3079 H2O H1 3 0.423800 1.0079 0 - 11253 H2O 3079 H2O H2 3 0.423800 1.0079 0 - 11254 H2O 3080 H2O O1 4 -0.847600 15.9994 0 - 11255 H2O 3080 H2O H1 3 0.423800 1.0079 0 - 11256 H2O 3080 H2O H2 3 0.423800 1.0079 0 - 11257 H2O 3081 H2O O1 4 -0.847600 15.9994 0 - 11258 H2O 3081 H2O H1 3 0.423800 1.0079 0 - 11259 H2O 3081 H2O H2 3 0.423800 1.0079 0 - 11260 H2O 3082 H2O O1 4 -0.847600 15.9994 0 - 11261 H2O 3082 H2O H1 3 0.423800 1.0079 0 - 11262 H2O 3082 H2O H2 3 0.423800 1.0079 0 - 11263 H2O 3083 H2O O1 4 -0.847600 15.9994 0 - 11264 H2O 3083 H2O H1 3 0.423800 1.0079 0 - 11265 H2O 3083 H2O H2 3 0.423800 1.0079 0 - 11266 H2O 3084 H2O O1 4 -0.847600 15.9994 0 - 11267 H2O 3084 H2O H1 3 0.423800 1.0079 0 - 11268 H2O 3084 H2O H2 3 0.423800 1.0079 0 - 11269 H2O 3085 H2O O1 4 -0.847600 15.9994 0 - 11270 H2O 3085 H2O H1 3 0.423800 1.0079 0 - 11271 H2O 3085 H2O H2 3 0.423800 1.0079 0 - 11272 H2O 3086 H2O O1 4 -0.847600 15.9994 0 - 11273 H2O 3086 H2O H1 3 0.423800 1.0079 0 - 11274 H2O 3086 H2O H2 3 0.423800 1.0079 0 - 11275 H2O 3087 H2O O1 4 -0.847600 15.9994 0 - 11276 H2O 3087 H2O H1 3 0.423800 1.0079 0 - 11277 H2O 3087 H2O H2 3 0.423800 1.0079 0 - 11278 H2O 3088 H2O O1 4 -0.847600 15.9994 0 - 11279 H2O 3088 H2O H1 3 0.423800 1.0079 0 - 11280 H2O 3088 H2O H2 3 0.423800 1.0079 0 - 11281 H2O 3089 H2O O1 4 -0.847600 15.9994 0 - 11282 H2O 3089 H2O H1 3 0.423800 1.0079 0 - 11283 H2O 3089 H2O H2 3 0.423800 1.0079 0 - 11284 H2O 3090 H2O O1 4 -0.847600 15.9994 0 - 11285 H2O 3090 H2O H1 3 0.423800 1.0079 0 - 11286 H2O 3090 H2O H2 3 0.423800 1.0079 0 - 11287 H2O 3091 H2O O1 4 -0.847600 15.9994 0 - 11288 H2O 3091 H2O H1 3 0.423800 1.0079 0 - 11289 H2O 3091 H2O H2 3 0.423800 1.0079 0 - 11290 H2O 3092 H2O O1 4 -0.847600 15.9994 0 - 11291 H2O 3092 H2O H1 3 0.423800 1.0079 0 - 11292 H2O 3092 H2O H2 3 0.423800 1.0079 0 - 11293 H2O 3093 H2O O1 4 -0.847600 15.9994 0 - 11294 H2O 3093 H2O H1 3 0.423800 1.0079 0 - 11295 H2O 3093 H2O H2 3 0.423800 1.0079 0 - 11296 H2O 3094 H2O O1 4 -0.847600 15.9994 0 - 11297 H2O 3094 H2O H1 3 0.423800 1.0079 0 - 11298 H2O 3094 H2O H2 3 0.423800 1.0079 0 - 11299 H2O 3095 H2O O1 4 -0.847600 15.9994 0 - 11300 H2O 3095 H2O H1 3 0.423800 1.0079 0 - 11301 H2O 3095 H2O H2 3 0.423800 1.0079 0 - 11302 H2O 3096 H2O O1 4 -0.847600 15.9994 0 - 11303 H2O 3096 H2O H1 3 0.423800 1.0079 0 - 11304 H2O 3096 H2O H2 3 0.423800 1.0079 0 - 11305 H2O 3097 H2O O1 4 -0.847600 15.9994 0 - 11306 H2O 3097 H2O H1 3 0.423800 1.0079 0 - 11307 H2O 3097 H2O H2 3 0.423800 1.0079 0 - 11308 H2O 3098 H2O O1 4 -0.847600 15.9994 0 - 11309 H2O 3098 H2O H1 3 0.423800 1.0079 0 - 11310 H2O 3098 H2O H2 3 0.423800 1.0079 0 - 11311 H2O 3099 H2O O1 4 -0.847600 15.9994 0 - 11312 H2O 3099 H2O H1 3 0.423800 1.0079 0 - 11313 H2O 3099 H2O H2 3 0.423800 1.0079 0 - 11314 H2O 3100 H2O O1 4 -0.847600 15.9994 0 - 11315 H2O 3100 H2O H1 3 0.423800 1.0079 0 - 11316 H2O 3100 H2O H2 3 0.423800 1.0079 0 - 11317 H2O 3101 H2O O1 4 -0.847600 15.9994 0 - 11318 H2O 3101 H2O H1 3 0.423800 1.0079 0 - 11319 H2O 3101 H2O H2 3 0.423800 1.0079 0 - 11320 H2O 3102 H2O O1 4 -0.847600 15.9994 0 - 11321 H2O 3102 H2O H1 3 0.423800 1.0079 0 - 11322 H2O 3102 H2O H2 3 0.423800 1.0079 0 - 11323 H2O 3103 H2O O1 4 -0.847600 15.9994 0 - 11324 H2O 3103 H2O H1 3 0.423800 1.0079 0 - 11325 H2O 3103 H2O H2 3 0.423800 1.0079 0 - 11326 H2O 3104 H2O O1 4 -0.847600 15.9994 0 - 11327 H2O 3104 H2O H1 3 0.423800 1.0079 0 - 11328 H2O 3104 H2O H2 3 0.423800 1.0079 0 - 11329 H2O 3105 H2O O1 4 -0.847600 15.9994 0 - 11330 H2O 3105 H2O H1 3 0.423800 1.0079 0 - 11331 H2O 3105 H2O H2 3 0.423800 1.0079 0 - 11332 H2O 3106 H2O O1 4 -0.847600 15.9994 0 - 11333 H2O 3106 H2O H1 3 0.423800 1.0079 0 - 11334 H2O 3106 H2O H2 3 0.423800 1.0079 0 - 11335 H2O 3107 H2O O1 4 -0.847600 15.9994 0 - 11336 H2O 3107 H2O H1 3 0.423800 1.0079 0 - 11337 H2O 3107 H2O H2 3 0.423800 1.0079 0 - 11338 H2O 3108 H2O O1 4 -0.847600 15.9994 0 - 11339 H2O 3108 H2O H1 3 0.423800 1.0079 0 - 11340 H2O 3108 H2O H2 3 0.423800 1.0079 0 - 11341 H2O 3109 H2O O1 4 -0.847600 15.9994 0 - 11342 H2O 3109 H2O H1 3 0.423800 1.0079 0 - 11343 H2O 3109 H2O H2 3 0.423800 1.0079 0 - 11344 H2O 3110 H2O O1 4 -0.847600 15.9994 0 - 11345 H2O 3110 H2O H1 3 0.423800 1.0079 0 - 11346 H2O 3110 H2O H2 3 0.423800 1.0079 0 - 11347 H2O 3111 H2O O1 4 -0.847600 15.9994 0 - 11348 H2O 3111 H2O H1 3 0.423800 1.0079 0 - 11349 H2O 3111 H2O H2 3 0.423800 1.0079 0 - 11350 H2O 3112 H2O O1 4 -0.847600 15.9994 0 - 11351 H2O 3112 H2O H1 3 0.423800 1.0079 0 - 11352 H2O 3112 H2O H2 3 0.423800 1.0079 0 - 11353 H2O 3113 H2O O1 4 -0.847600 15.9994 0 - 11354 H2O 3113 H2O H1 3 0.423800 1.0079 0 - 11355 H2O 3113 H2O H2 3 0.423800 1.0079 0 - 11356 H2O 3114 H2O O1 4 -0.847600 15.9994 0 - 11357 H2O 3114 H2O H1 3 0.423800 1.0079 0 - 11358 H2O 3114 H2O H2 3 0.423800 1.0079 0 - 11359 H2O 3115 H2O O1 4 -0.847600 15.9994 0 - 11360 H2O 3115 H2O H1 3 0.423800 1.0079 0 - 11361 H2O 3115 H2O H2 3 0.423800 1.0079 0 - 11362 H2O 3116 H2O O1 4 -0.847600 15.9994 0 - 11363 H2O 3116 H2O H1 3 0.423800 1.0079 0 - 11364 H2O 3116 H2O H2 3 0.423800 1.0079 0 - 11365 H2O 3117 H2O O1 4 -0.847600 15.9994 0 - 11366 H2O 3117 H2O H1 3 0.423800 1.0079 0 - 11367 H2O 3117 H2O H2 3 0.423800 1.0079 0 - 11368 H2O 3118 H2O O1 4 -0.847600 15.9994 0 - 11369 H2O 3118 H2O H1 3 0.423800 1.0079 0 - 11370 H2O 3118 H2O H2 3 0.423800 1.0079 0 - 11371 H2O 3119 H2O O1 4 -0.847600 15.9994 0 - 11372 H2O 3119 H2O H1 3 0.423800 1.0079 0 - 11373 H2O 3119 H2O H2 3 0.423800 1.0079 0 - 11374 H2O 3120 H2O O1 4 -0.847600 15.9994 0 - 11375 H2O 3120 H2O H1 3 0.423800 1.0079 0 - 11376 H2O 3120 H2O H2 3 0.423800 1.0079 0 - 11377 H2O 3121 H2O O1 4 -0.847600 15.9994 0 - 11378 H2O 3121 H2O H1 3 0.423800 1.0079 0 - 11379 H2O 3121 H2O H2 3 0.423800 1.0079 0 - 11380 H2O 3122 H2O O1 4 -0.847600 15.9994 0 - 11381 H2O 3122 H2O H1 3 0.423800 1.0079 0 - 11382 H2O 3122 H2O H2 3 0.423800 1.0079 0 - 11383 H2O 3123 H2O O1 4 -0.847600 15.9994 0 - 11384 H2O 3123 H2O H1 3 0.423800 1.0079 0 - 11385 H2O 3123 H2O H2 3 0.423800 1.0079 0 - 11386 H2O 3124 H2O O1 4 -0.847600 15.9994 0 - 11387 H2O 3124 H2O H1 3 0.423800 1.0079 0 - 11388 H2O 3124 H2O H2 3 0.423800 1.0079 0 - 11389 H2O 3125 H2O O1 4 -0.847600 15.9994 0 - 11390 H2O 3125 H2O H1 3 0.423800 1.0079 0 - 11391 H2O 3125 H2O H2 3 0.423800 1.0079 0 - 11392 H2O 3126 H2O O1 4 -0.847600 15.9994 0 - 11393 H2O 3126 H2O H1 3 0.423800 1.0079 0 - 11394 H2O 3126 H2O H2 3 0.423800 1.0079 0 - 11395 H2O 3127 H2O O1 4 -0.847600 15.9994 0 - 11396 H2O 3127 H2O H1 3 0.423800 1.0079 0 - 11397 H2O 3127 H2O H2 3 0.423800 1.0079 0 - 11398 H2O 3128 H2O O1 4 -0.847600 15.9994 0 - 11399 H2O 3128 H2O H1 3 0.423800 1.0079 0 - 11400 H2O 3128 H2O H2 3 0.423800 1.0079 0 - 11401 H2O 3129 H2O O1 4 -0.847600 15.9994 0 - 11402 H2O 3129 H2O H1 3 0.423800 1.0079 0 - 11403 H2O 3129 H2O H2 3 0.423800 1.0079 0 - 11404 H2O 3130 H2O O1 4 -0.847600 15.9994 0 - 11405 H2O 3130 H2O H1 3 0.423800 1.0079 0 - 11406 H2O 3130 H2O H2 3 0.423800 1.0079 0 - 11407 H2O 3131 H2O O1 4 -0.847600 15.9994 0 - 11408 H2O 3131 H2O H1 3 0.423800 1.0079 0 - 11409 H2O 3131 H2O H2 3 0.423800 1.0079 0 - 11410 H2O 3132 H2O O1 4 -0.847600 15.9994 0 - 11411 H2O 3132 H2O H1 3 0.423800 1.0079 0 - 11412 H2O 3132 H2O H2 3 0.423800 1.0079 0 - 11413 H2O 3133 H2O O1 4 -0.847600 15.9994 0 - 11414 H2O 3133 H2O H1 3 0.423800 1.0079 0 - 11415 H2O 3133 H2O H2 3 0.423800 1.0079 0 - 11416 H2O 3134 H2O O1 4 -0.847600 15.9994 0 - 11417 H2O 3134 H2O H1 3 0.423800 1.0079 0 - 11418 H2O 3134 H2O H2 3 0.423800 1.0079 0 - 11419 H2O 3135 H2O O1 4 -0.847600 15.9994 0 - 11420 H2O 3135 H2O H1 3 0.423800 1.0079 0 - 11421 H2O 3135 H2O H2 3 0.423800 1.0079 0 - 11422 H2O 3136 H2O O1 4 -0.847600 15.9994 0 - 11423 H2O 3136 H2O H1 3 0.423800 1.0079 0 - 11424 H2O 3136 H2O H2 3 0.423800 1.0079 0 - 11425 H2O 3137 H2O O1 4 -0.847600 15.9994 0 - 11426 H2O 3137 H2O H1 3 0.423800 1.0079 0 - 11427 H2O 3137 H2O H2 3 0.423800 1.0079 0 - 11428 H2O 3138 H2O O1 4 -0.847600 15.9994 0 - 11429 H2O 3138 H2O H1 3 0.423800 1.0079 0 - 11430 H2O 3138 H2O H2 3 0.423800 1.0079 0 - 11431 H2O 3139 H2O O1 4 -0.847600 15.9994 0 - 11432 H2O 3139 H2O H1 3 0.423800 1.0079 0 - 11433 H2O 3139 H2O H2 3 0.423800 1.0079 0 - 11434 H2O 3140 H2O O1 4 -0.847600 15.9994 0 - 11435 H2O 3140 H2O H1 3 0.423800 1.0079 0 - 11436 H2O 3140 H2O H2 3 0.423800 1.0079 0 - 11437 H2O 3141 H2O O1 4 -0.847600 15.9994 0 - 11438 H2O 3141 H2O H1 3 0.423800 1.0079 0 - 11439 H2O 3141 H2O H2 3 0.423800 1.0079 0 - 11440 H2O 3142 H2O O1 4 -0.847600 15.9994 0 - 11441 H2O 3142 H2O H1 3 0.423800 1.0079 0 - 11442 H2O 3142 H2O H2 3 0.423800 1.0079 0 - 11443 H2O 3143 H2O O1 4 -0.847600 15.9994 0 - 11444 H2O 3143 H2O H1 3 0.423800 1.0079 0 - 11445 H2O 3143 H2O H2 3 0.423800 1.0079 0 - 11446 H2O 3144 H2O O1 4 -0.847600 15.9994 0 - 11447 H2O 3144 H2O H1 3 0.423800 1.0079 0 - 11448 H2O 3144 H2O H2 3 0.423800 1.0079 0 - 11449 H2O 3145 H2O O1 4 -0.847600 15.9994 0 - 11450 H2O 3145 H2O H1 3 0.423800 1.0079 0 - 11451 H2O 3145 H2O H2 3 0.423800 1.0079 0 - 11452 H2O 3146 H2O O1 4 -0.847600 15.9994 0 - 11453 H2O 3146 H2O H1 3 0.423800 1.0079 0 - 11454 H2O 3146 H2O H2 3 0.423800 1.0079 0 - 11455 H2O 3147 H2O O1 4 -0.847600 15.9994 0 - 11456 H2O 3147 H2O H1 3 0.423800 1.0079 0 - 11457 H2O 3147 H2O H2 3 0.423800 1.0079 0 - 11458 H2O 3148 H2O O1 4 -0.847600 15.9994 0 - 11459 H2O 3148 H2O H1 3 0.423800 1.0079 0 - 11460 H2O 3148 H2O H2 3 0.423800 1.0079 0 - 11461 H2O 3149 H2O O1 4 -0.847600 15.9994 0 - 11462 H2O 3149 H2O H1 3 0.423800 1.0079 0 - 11463 H2O 3149 H2O H2 3 0.423800 1.0079 0 - 11464 H2O 3150 H2O O1 4 -0.847600 15.9994 0 - 11465 H2O 3150 H2O H1 3 0.423800 1.0079 0 - 11466 H2O 3150 H2O H2 3 0.423800 1.0079 0 - 11467 H2O 3151 H2O O1 4 -0.847600 15.9994 0 - 11468 H2O 3151 H2O H1 3 0.423800 1.0079 0 - 11469 H2O 3151 H2O H2 3 0.423800 1.0079 0 - 11470 H2O 3152 H2O O1 4 -0.847600 15.9994 0 - 11471 H2O 3152 H2O H1 3 0.423800 1.0079 0 - 11472 H2O 3152 H2O H2 3 0.423800 1.0079 0 - 11473 H2O 3153 H2O O1 4 -0.847600 15.9994 0 - 11474 H2O 3153 H2O H1 3 0.423800 1.0079 0 - 11475 H2O 3153 H2O H2 3 0.423800 1.0079 0 - 11476 H2O 3154 H2O O1 4 -0.847600 15.9994 0 - 11477 H2O 3154 H2O H1 3 0.423800 1.0079 0 - 11478 H2O 3154 H2O H2 3 0.423800 1.0079 0 - 11479 H2O 3155 H2O O1 4 -0.847600 15.9994 0 - 11480 H2O 3155 H2O H1 3 0.423800 1.0079 0 - 11481 H2O 3155 H2O H2 3 0.423800 1.0079 0 - 11482 H2O 3156 H2O O1 4 -0.847600 15.9994 0 - 11483 H2O 3156 H2O H1 3 0.423800 1.0079 0 - 11484 H2O 3156 H2O H2 3 0.423800 1.0079 0 - 11485 H2O 3157 H2O O1 4 -0.847600 15.9994 0 - 11486 H2O 3157 H2O H1 3 0.423800 1.0079 0 - 11487 H2O 3157 H2O H2 3 0.423800 1.0079 0 - 11488 H2O 3158 H2O O1 4 -0.847600 15.9994 0 - 11489 H2O 3158 H2O H1 3 0.423800 1.0079 0 - 11490 H2O 3158 H2O H2 3 0.423800 1.0079 0 - 11491 H2O 3159 H2O O1 4 -0.847600 15.9994 0 - 11492 H2O 3159 H2O H1 3 0.423800 1.0079 0 - 11493 H2O 3159 H2O H2 3 0.423800 1.0079 0 - 11494 H2O 3160 H2O O1 4 -0.847600 15.9994 0 - 11495 H2O 3160 H2O H1 3 0.423800 1.0079 0 - 11496 H2O 3160 H2O H2 3 0.423800 1.0079 0 - 11497 H2O 3161 H2O O1 4 -0.847600 15.9994 0 - 11498 H2O 3161 H2O H1 3 0.423800 1.0079 0 - 11499 H2O 3161 H2O H2 3 0.423800 1.0079 0 - 11500 H2O 3162 H2O O1 4 -0.847600 15.9994 0 - 11501 H2O 3162 H2O H1 3 0.423800 1.0079 0 - 11502 H2O 3162 H2O H2 3 0.423800 1.0079 0 - 11503 H2O 3163 H2O O1 4 -0.847600 15.9994 0 - 11504 H2O 3163 H2O H1 3 0.423800 1.0079 0 - 11505 H2O 3163 H2O H2 3 0.423800 1.0079 0 - 11506 H2O 3164 H2O O1 4 -0.847600 15.9994 0 - 11507 H2O 3164 H2O H1 3 0.423800 1.0079 0 - 11508 H2O 3164 H2O H2 3 0.423800 1.0079 0 - 11509 H2O 3165 H2O O1 4 -0.847600 15.9994 0 - 11510 H2O 3165 H2O H1 3 0.423800 1.0079 0 - 11511 H2O 3165 H2O H2 3 0.423800 1.0079 0 - 11512 H2O 3166 H2O O1 4 -0.847600 15.9994 0 - 11513 H2O 3166 H2O H1 3 0.423800 1.0079 0 - 11514 H2O 3166 H2O H2 3 0.423800 1.0079 0 - 11515 H2O 3167 H2O O1 4 -0.847600 15.9994 0 - 11516 H2O 3167 H2O H1 3 0.423800 1.0079 0 - 11517 H2O 3167 H2O H2 3 0.423800 1.0079 0 - 11518 H2O 3168 H2O O1 4 -0.847600 15.9994 0 - 11519 H2O 3168 H2O H1 3 0.423800 1.0079 0 - 11520 H2O 3168 H2O H2 3 0.423800 1.0079 0 - 11521 H2O 3169 H2O O1 4 -0.847600 15.9994 0 - 11522 H2O 3169 H2O H1 3 0.423800 1.0079 0 - 11523 H2O 3169 H2O H2 3 0.423800 1.0079 0 - 11524 H2O 3170 H2O O1 4 -0.847600 15.9994 0 - 11525 H2O 3170 H2O H1 3 0.423800 1.0079 0 - 11526 H2O 3170 H2O H2 3 0.423800 1.0079 0 - 11527 H2O 3171 H2O O1 4 -0.847600 15.9994 0 - 11528 H2O 3171 H2O H1 3 0.423800 1.0079 0 - 11529 H2O 3171 H2O H2 3 0.423800 1.0079 0 - 11530 H2O 3172 H2O O1 4 -0.847600 15.9994 0 - 11531 H2O 3172 H2O H1 3 0.423800 1.0079 0 - 11532 H2O 3172 H2O H2 3 0.423800 1.0079 0 - 11533 H2O 3173 H2O O1 4 -0.847600 15.9994 0 - 11534 H2O 3173 H2O H1 3 0.423800 1.0079 0 - 11535 H2O 3173 H2O H2 3 0.423800 1.0079 0 - 11536 H2O 3174 H2O O1 4 -0.847600 15.9994 0 - 11537 H2O 3174 H2O H1 3 0.423800 1.0079 0 - 11538 H2O 3174 H2O H2 3 0.423800 1.0079 0 - 11539 H2O 3175 H2O O1 4 -0.847600 15.9994 0 - 11540 H2O 3175 H2O H1 3 0.423800 1.0079 0 - 11541 H2O 3175 H2O H2 3 0.423800 1.0079 0 - 11542 H2O 3176 H2O O1 4 -0.847600 15.9994 0 - 11543 H2O 3176 H2O H1 3 0.423800 1.0079 0 - 11544 H2O 3176 H2O H2 3 0.423800 1.0079 0 - 11545 H2O 3177 H2O O1 4 -0.847600 15.9994 0 - 11546 H2O 3177 H2O H1 3 0.423800 1.0079 0 - 11547 H2O 3177 H2O H2 3 0.423800 1.0079 0 - 11548 H2O 3178 H2O O1 4 -0.847600 15.9994 0 - 11549 H2O 3178 H2O H1 3 0.423800 1.0079 0 - 11550 H2O 3178 H2O H2 3 0.423800 1.0079 0 - 11551 H2O 3179 H2O O1 4 -0.847600 15.9994 0 - 11552 H2O 3179 H2O H1 3 0.423800 1.0079 0 - 11553 H2O 3179 H2O H2 3 0.423800 1.0079 0 - 11554 H2O 3180 H2O O1 4 -0.847600 15.9994 0 - 11555 H2O 3180 H2O H1 3 0.423800 1.0079 0 - 11556 H2O 3180 H2O H2 3 0.423800 1.0079 0 - 11557 H2O 3181 H2O O1 4 -0.847600 15.9994 0 - 11558 H2O 3181 H2O H1 3 0.423800 1.0079 0 - 11559 H2O 3181 H2O H2 3 0.423800 1.0079 0 - 11560 H2O 3182 H2O O1 4 -0.847600 15.9994 0 - 11561 H2O 3182 H2O H1 3 0.423800 1.0079 0 - 11562 H2O 3182 H2O H2 3 0.423800 1.0079 0 - 11563 H2O 3183 H2O O1 4 -0.847600 15.9994 0 - 11564 H2O 3183 H2O H1 3 0.423800 1.0079 0 - 11565 H2O 3183 H2O H2 3 0.423800 1.0079 0 - 11566 H2O 3184 H2O O1 4 -0.847600 15.9994 0 - 11567 H2O 3184 H2O H1 3 0.423800 1.0079 0 - 11568 H2O 3184 H2O H2 3 0.423800 1.0079 0 - 11569 H2O 3185 H2O O1 4 -0.847600 15.9994 0 - 11570 H2O 3185 H2O H1 3 0.423800 1.0079 0 - 11571 H2O 3185 H2O H2 3 0.423800 1.0079 0 - 11572 H2O 3186 H2O O1 4 -0.847600 15.9994 0 - 11573 H2O 3186 H2O H1 3 0.423800 1.0079 0 - 11574 H2O 3186 H2O H2 3 0.423800 1.0079 0 - 11575 H2O 3187 H2O O1 4 -0.847600 15.9994 0 - 11576 H2O 3187 H2O H1 3 0.423800 1.0079 0 - 11577 H2O 3187 H2O H2 3 0.423800 1.0079 0 - 11578 H2O 3188 H2O O1 4 -0.847600 15.9994 0 - 11579 H2O 3188 H2O H1 3 0.423800 1.0079 0 - 11580 H2O 3188 H2O H2 3 0.423800 1.0079 0 - 11581 H2O 3189 H2O O1 4 -0.847600 15.9994 0 - 11582 H2O 3189 H2O H1 3 0.423800 1.0079 0 - 11583 H2O 3189 H2O H2 3 0.423800 1.0079 0 - 11584 H2O 3190 H2O O1 4 -0.847600 15.9994 0 - 11585 H2O 3190 H2O H1 3 0.423800 1.0079 0 - 11586 H2O 3190 H2O H2 3 0.423800 1.0079 0 - 11587 H2O 3191 H2O O1 4 -0.847600 15.9994 0 - 11588 H2O 3191 H2O H1 3 0.423800 1.0079 0 - 11589 H2O 3191 H2O H2 3 0.423800 1.0079 0 - 11590 H2O 3192 H2O O1 4 -0.847600 15.9994 0 - 11591 H2O 3192 H2O H1 3 0.423800 1.0079 0 - 11592 H2O 3192 H2O H2 3 0.423800 1.0079 0 - 11593 H2O 3193 H2O O1 4 -0.847600 15.9994 0 - 11594 H2O 3193 H2O H1 3 0.423800 1.0079 0 - 11595 H2O 3193 H2O H2 3 0.423800 1.0079 0 - 11596 H2O 3194 H2O O1 4 -0.847600 15.9994 0 - 11597 H2O 3194 H2O H1 3 0.423800 1.0079 0 - 11598 H2O 3194 H2O H2 3 0.423800 1.0079 0 - 11599 H2O 3195 H2O O1 4 -0.847600 15.9994 0 - 11600 H2O 3195 H2O H1 3 0.423800 1.0079 0 - 11601 H2O 3195 H2O H2 3 0.423800 1.0079 0 - 11602 H2O 3196 H2O O1 4 -0.847600 15.9994 0 - 11603 H2O 3196 H2O H1 3 0.423800 1.0079 0 - 11604 H2O 3196 H2O H2 3 0.423800 1.0079 0 - 11605 H2O 3197 H2O O1 4 -0.847600 15.9994 0 - 11606 H2O 3197 H2O H1 3 0.423800 1.0079 0 - 11607 H2O 3197 H2O H2 3 0.423800 1.0079 0 - 11608 H2O 3198 H2O O1 4 -0.847600 15.9994 0 - 11609 H2O 3198 H2O H1 3 0.423800 1.0079 0 - 11610 H2O 3198 H2O H2 3 0.423800 1.0079 0 - 11611 H2O 3199 H2O O1 4 -0.847600 15.9994 0 - 11612 H2O 3199 H2O H1 3 0.423800 1.0079 0 - 11613 H2O 3199 H2O H2 3 0.423800 1.0079 0 - 11614 H2O 3200 H2O O1 4 -0.847600 15.9994 0 - 11615 H2O 3200 H2O H1 3 0.423800 1.0079 0 - 11616 H2O 3200 H2O H2 3 0.423800 1.0079 0 - 11617 H2O 3201 H2O O1 4 -0.847600 15.9994 0 - 11618 H2O 3201 H2O H1 3 0.423800 1.0079 0 - 11619 H2O 3201 H2O H2 3 0.423800 1.0079 0 - 11620 H2O 3202 H2O O1 4 -0.847600 15.9994 0 - 11621 H2O 3202 H2O H1 3 0.423800 1.0079 0 - 11622 H2O 3202 H2O H2 3 0.423800 1.0079 0 - 11623 H2O 3203 H2O O1 4 -0.847600 15.9994 0 - 11624 H2O 3203 H2O H1 3 0.423800 1.0079 0 - 11625 H2O 3203 H2O H2 3 0.423800 1.0079 0 - 11626 H2O 3204 H2O O1 4 -0.847600 15.9994 0 - 11627 H2O 3204 H2O H1 3 0.423800 1.0079 0 - 11628 H2O 3204 H2O H2 3 0.423800 1.0079 0 - 11629 H2O 3205 H2O O1 4 -0.847600 15.9994 0 - 11630 H2O 3205 H2O H1 3 0.423800 1.0079 0 - 11631 H2O 3205 H2O H2 3 0.423800 1.0079 0 - 11632 H2O 3206 H2O O1 4 -0.847600 15.9994 0 - 11633 H2O 3206 H2O H1 3 0.423800 1.0079 0 - 11634 H2O 3206 H2O H2 3 0.423800 1.0079 0 - 11635 H2O 3207 H2O O1 4 -0.847600 15.9994 0 - 11636 H2O 3207 H2O H1 3 0.423800 1.0079 0 - 11637 H2O 3207 H2O H2 3 0.423800 1.0079 0 - 11638 H2O 3208 H2O O1 4 -0.847600 15.9994 0 - 11639 H2O 3208 H2O H1 3 0.423800 1.0079 0 - 11640 H2O 3208 H2O H2 3 0.423800 1.0079 0 - 11641 H2O 3209 H2O O1 4 -0.847600 15.9994 0 - 11642 H2O 3209 H2O H1 3 0.423800 1.0079 0 - 11643 H2O 3209 H2O H2 3 0.423800 1.0079 0 - 11644 H2O 3210 H2O O1 4 -0.847600 15.9994 0 - 11645 H2O 3210 H2O H1 3 0.423800 1.0079 0 - 11646 H2O 3210 H2O H2 3 0.423800 1.0079 0 - 11647 H2O 3211 H2O O1 4 -0.847600 15.9994 0 - 11648 H2O 3211 H2O H1 3 0.423800 1.0079 0 - 11649 H2O 3211 H2O H2 3 0.423800 1.0079 0 - 11650 H2O 3212 H2O O1 4 -0.847600 15.9994 0 - 11651 H2O 3212 H2O H1 3 0.423800 1.0079 0 - 11652 H2O 3212 H2O H2 3 0.423800 1.0079 0 - 11653 H2O 3213 H2O O1 4 -0.847600 15.9994 0 - 11654 H2O 3213 H2O H1 3 0.423800 1.0079 0 - 11655 H2O 3213 H2O H2 3 0.423800 1.0079 0 - 11656 H2O 3214 H2O O1 4 -0.847600 15.9994 0 - 11657 H2O 3214 H2O H1 3 0.423800 1.0079 0 - 11658 H2O 3214 H2O H2 3 0.423800 1.0079 0 - 11659 H2O 3215 H2O O1 4 -0.847600 15.9994 0 - 11660 H2O 3215 H2O H1 3 0.423800 1.0079 0 - 11661 H2O 3215 H2O H2 3 0.423800 1.0079 0 - 11662 H2O 3216 H2O O1 4 -0.847600 15.9994 0 - 11663 H2O 3216 H2O H1 3 0.423800 1.0079 0 - 11664 H2O 3216 H2O H2 3 0.423800 1.0079 0 - 11665 H2O 3217 H2O O1 4 -0.847600 15.9994 0 - 11666 H2O 3217 H2O H1 3 0.423800 1.0079 0 - 11667 H2O 3217 H2O H2 3 0.423800 1.0079 0 - 11668 H2O 3218 H2O O1 4 -0.847600 15.9994 0 - 11669 H2O 3218 H2O H1 3 0.423800 1.0079 0 - 11670 H2O 3218 H2O H2 3 0.423800 1.0079 0 - 11671 H2O 3219 H2O O1 4 -0.847600 15.9994 0 - 11672 H2O 3219 H2O H1 3 0.423800 1.0079 0 - 11673 H2O 3219 H2O H2 3 0.423800 1.0079 0 - 11674 H2O 3220 H2O O1 4 -0.847600 15.9994 0 - 11675 H2O 3220 H2O H1 3 0.423800 1.0079 0 - 11676 H2O 3220 H2O H2 3 0.423800 1.0079 0 - 11677 H2O 3221 H2O O1 4 -0.847600 15.9994 0 - 11678 H2O 3221 H2O H1 3 0.423800 1.0079 0 - 11679 H2O 3221 H2O H2 3 0.423800 1.0079 0 - 11680 H2O 3222 H2O O1 4 -0.847600 15.9994 0 - 11681 H2O 3222 H2O H1 3 0.423800 1.0079 0 - 11682 H2O 3222 H2O H2 3 0.423800 1.0079 0 - 11683 H2O 3223 H2O O1 4 -0.847600 15.9994 0 - 11684 H2O 3223 H2O H1 3 0.423800 1.0079 0 - 11685 H2O 3223 H2O H2 3 0.423800 1.0079 0 - 11686 H2O 3224 H2O O1 4 -0.847600 15.9994 0 - 11687 H2O 3224 H2O H1 3 0.423800 1.0079 0 - 11688 H2O 3224 H2O H2 3 0.423800 1.0079 0 - 11689 H2O 3225 H2O O1 4 -0.847600 15.9994 0 - 11690 H2O 3225 H2O H1 3 0.423800 1.0079 0 - 11691 H2O 3225 H2O H2 3 0.423800 1.0079 0 - 11692 H2O 3226 H2O O1 4 -0.847600 15.9994 0 - 11693 H2O 3226 H2O H1 3 0.423800 1.0079 0 - 11694 H2O 3226 H2O H2 3 0.423800 1.0079 0 - 11695 H2O 3227 H2O O1 4 -0.847600 15.9994 0 - 11696 H2O 3227 H2O H1 3 0.423800 1.0079 0 - 11697 H2O 3227 H2O H2 3 0.423800 1.0079 0 - 11698 H2O 3228 H2O O1 4 -0.847600 15.9994 0 - 11699 H2O 3228 H2O H1 3 0.423800 1.0079 0 - 11700 H2O 3228 H2O H2 3 0.423800 1.0079 0 - 11701 H2O 3229 H2O O1 4 -0.847600 15.9994 0 - 11702 H2O 3229 H2O H1 3 0.423800 1.0079 0 - 11703 H2O 3229 H2O H2 3 0.423800 1.0079 0 - 11704 H2O 3230 H2O O1 4 -0.847600 15.9994 0 - 11705 H2O 3230 H2O H1 3 0.423800 1.0079 0 - 11706 H2O 3230 H2O H2 3 0.423800 1.0079 0 - 11707 H2O 3231 H2O O1 4 -0.847600 15.9994 0 - 11708 H2O 3231 H2O H1 3 0.423800 1.0079 0 - 11709 H2O 3231 H2O H2 3 0.423800 1.0079 0 - 11710 H2O 3232 H2O O1 4 -0.847600 15.9994 0 - 11711 H2O 3232 H2O H1 3 0.423800 1.0079 0 - 11712 H2O 3232 H2O H2 3 0.423800 1.0079 0 - 11713 H2O 3233 H2O O1 4 -0.847600 15.9994 0 - 11714 H2O 3233 H2O H1 3 0.423800 1.0079 0 - 11715 H2O 3233 H2O H2 3 0.423800 1.0079 0 - 11716 H2O 3234 H2O O1 4 -0.847600 15.9994 0 - 11717 H2O 3234 H2O H1 3 0.423800 1.0079 0 - 11718 H2O 3234 H2O H2 3 0.423800 1.0079 0 - 11719 H2O 3235 H2O O1 4 -0.847600 15.9994 0 - 11720 H2O 3235 H2O H1 3 0.423800 1.0079 0 - 11721 H2O 3235 H2O H2 3 0.423800 1.0079 0 - 11722 H2O 3236 H2O O1 4 -0.847600 15.9994 0 - 11723 H2O 3236 H2O H1 3 0.423800 1.0079 0 - 11724 H2O 3236 H2O H2 3 0.423800 1.0079 0 - 11725 H2O 3237 H2O O1 4 -0.847600 15.9994 0 - 11726 H2O 3237 H2O H1 3 0.423800 1.0079 0 - 11727 H2O 3237 H2O H2 3 0.423800 1.0079 0 - 11728 H2O 3238 H2O O1 4 -0.847600 15.9994 0 - 11729 H2O 3238 H2O H1 3 0.423800 1.0079 0 - 11730 H2O 3238 H2O H2 3 0.423800 1.0079 0 - 11731 H2O 3239 H2O O1 4 -0.847600 15.9994 0 - 11732 H2O 3239 H2O H1 3 0.423800 1.0079 0 - 11733 H2O 3239 H2O H2 3 0.423800 1.0079 0 - 11734 H2O 3240 H2O O1 4 -0.847600 15.9994 0 - 11735 H2O 3240 H2O H1 3 0.423800 1.0079 0 - 11736 H2O 3240 H2O H2 3 0.423800 1.0079 0 - 11737 H2O 3241 H2O O1 4 -0.847600 15.9994 0 - 11738 H2O 3241 H2O H1 3 0.423800 1.0079 0 - 11739 H2O 3241 H2O H2 3 0.423800 1.0079 0 - 11740 H2O 3242 H2O O1 4 -0.847600 15.9994 0 - 11741 H2O 3242 H2O H1 3 0.423800 1.0079 0 - 11742 H2O 3242 H2O H2 3 0.423800 1.0079 0 - 11743 H2O 3243 H2O O1 4 -0.847600 15.9994 0 - 11744 H2O 3243 H2O H1 3 0.423800 1.0079 0 - 11745 H2O 3243 H2O H2 3 0.423800 1.0079 0 - 11746 H2O 3244 H2O O1 4 -0.847600 15.9994 0 - 11747 H2O 3244 H2O H1 3 0.423800 1.0079 0 - 11748 H2O 3244 H2O H2 3 0.423800 1.0079 0 - 11749 H2O 3245 H2O O1 4 -0.847600 15.9994 0 - 11750 H2O 3245 H2O H1 3 0.423800 1.0079 0 - 11751 H2O 3245 H2O H2 3 0.423800 1.0079 0 - 11752 H2O 3246 H2O O1 4 -0.847600 15.9994 0 - 11753 H2O 3246 H2O H1 3 0.423800 1.0079 0 - 11754 H2O 3246 H2O H2 3 0.423800 1.0079 0 - 11755 H2O 3247 H2O O1 4 -0.847600 15.9994 0 - 11756 H2O 3247 H2O H1 3 0.423800 1.0079 0 - 11757 H2O 3247 H2O H2 3 0.423800 1.0079 0 - 11758 H2O 3248 H2O O1 4 -0.847600 15.9994 0 - 11759 H2O 3248 H2O H1 3 0.423800 1.0079 0 - 11760 H2O 3248 H2O H2 3 0.423800 1.0079 0 - 11761 H2O 3249 H2O O1 4 -0.847600 15.9994 0 - 11762 H2O 3249 H2O H1 3 0.423800 1.0079 0 - 11763 H2O 3249 H2O H2 3 0.423800 1.0079 0 - 11764 H2O 3250 H2O O1 4 -0.847600 15.9994 0 - 11765 H2O 3250 H2O H1 3 0.423800 1.0079 0 - 11766 H2O 3250 H2O H2 3 0.423800 1.0079 0 - 11767 H2O 3251 H2O O1 4 -0.847600 15.9994 0 - 11768 H2O 3251 H2O H1 3 0.423800 1.0079 0 - 11769 H2O 3251 H2O H2 3 0.423800 1.0079 0 - 11770 H2O 3252 H2O O1 4 -0.847600 15.9994 0 - 11771 H2O 3252 H2O H1 3 0.423800 1.0079 0 - 11772 H2O 3252 H2O H2 3 0.423800 1.0079 0 - 11773 H2O 3253 H2O O1 4 -0.847600 15.9994 0 - 11774 H2O 3253 H2O H1 3 0.423800 1.0079 0 - 11775 H2O 3253 H2O H2 3 0.423800 1.0079 0 - 11776 H2O 3254 H2O O1 4 -0.847600 15.9994 0 - 11777 H2O 3254 H2O H1 3 0.423800 1.0079 0 - 11778 H2O 3254 H2O H2 3 0.423800 1.0079 0 - 11779 H2O 3255 H2O O1 4 -0.847600 15.9994 0 - 11780 H2O 3255 H2O H1 3 0.423800 1.0079 0 - 11781 H2O 3255 H2O H2 3 0.423800 1.0079 0 - 11782 H2O 3256 H2O O1 4 -0.847600 15.9994 0 - 11783 H2O 3256 H2O H1 3 0.423800 1.0079 0 - 11784 H2O 3256 H2O H2 3 0.423800 1.0079 0 - 11785 H2O 3257 H2O O1 4 -0.847600 15.9994 0 - 11786 H2O 3257 H2O H1 3 0.423800 1.0079 0 - 11787 H2O 3257 H2O H2 3 0.423800 1.0079 0 - 11788 H2O 3258 H2O O1 4 -0.847600 15.9994 0 - 11789 H2O 3258 H2O H1 3 0.423800 1.0079 0 - 11790 H2O 3258 H2O H2 3 0.423800 1.0079 0 - 11791 H2O 3259 H2O O1 4 -0.847600 15.9994 0 - 11792 H2O 3259 H2O H1 3 0.423800 1.0079 0 - 11793 H2O 3259 H2O H2 3 0.423800 1.0079 0 - 11794 H2O 3260 H2O O1 4 -0.847600 15.9994 0 - 11795 H2O 3260 H2O H1 3 0.423800 1.0079 0 - 11796 H2O 3260 H2O H2 3 0.423800 1.0079 0 - 11797 H2O 3261 H2O O1 4 -0.847600 15.9994 0 - 11798 H2O 3261 H2O H1 3 0.423800 1.0079 0 - 11799 H2O 3261 H2O H2 3 0.423800 1.0079 0 - 11800 H2O 3262 H2O O1 4 -0.847600 15.9994 0 - 11801 H2O 3262 H2O H1 3 0.423800 1.0079 0 - 11802 H2O 3262 H2O H2 3 0.423800 1.0079 0 - 11803 H2O 3263 H2O O1 4 -0.847600 15.9994 0 - 11804 H2O 3263 H2O H1 3 0.423800 1.0079 0 - 11805 H2O 3263 H2O H2 3 0.423800 1.0079 0 - 11806 H2O 3264 H2O O1 4 -0.847600 15.9994 0 - 11807 H2O 3264 H2O H1 3 0.423800 1.0079 0 - 11808 H2O 3264 H2O H2 3 0.423800 1.0079 0 - 11809 H2O 3265 H2O O1 4 -0.847600 15.9994 0 - 11810 H2O 3265 H2O H1 3 0.423800 1.0079 0 - 11811 H2O 3265 H2O H2 3 0.423800 1.0079 0 - 11812 H2O 3266 H2O O1 4 -0.847600 15.9994 0 - 11813 H2O 3266 H2O H1 3 0.423800 1.0079 0 - 11814 H2O 3266 H2O H2 3 0.423800 1.0079 0 - 11815 H2O 3267 H2O O1 4 -0.847600 15.9994 0 - 11816 H2O 3267 H2O H1 3 0.423800 1.0079 0 - 11817 H2O 3267 H2O H2 3 0.423800 1.0079 0 - 11818 H2O 3268 H2O O1 4 -0.847600 15.9994 0 - 11819 H2O 3268 H2O H1 3 0.423800 1.0079 0 - 11820 H2O 3268 H2O H2 3 0.423800 1.0079 0 - 11821 H2O 3269 H2O O1 4 -0.847600 15.9994 0 - 11822 H2O 3269 H2O H1 3 0.423800 1.0079 0 - 11823 H2O 3269 H2O H2 3 0.423800 1.0079 0 - 11824 H2O 3270 H2O O1 4 -0.847600 15.9994 0 - 11825 H2O 3270 H2O H1 3 0.423800 1.0079 0 - 11826 H2O 3270 H2O H2 3 0.423800 1.0079 0 - 11827 H2O 3271 H2O O1 4 -0.847600 15.9994 0 - 11828 H2O 3271 H2O H1 3 0.423800 1.0079 0 - 11829 H2O 3271 H2O H2 3 0.423800 1.0079 0 - 11830 H2O 3272 H2O O1 4 -0.847600 15.9994 0 - 11831 H2O 3272 H2O H1 3 0.423800 1.0079 0 - 11832 H2O 3272 H2O H2 3 0.423800 1.0079 0 - 11833 H2O 3273 H2O O1 4 -0.847600 15.9994 0 - 11834 H2O 3273 H2O H1 3 0.423800 1.0079 0 - 11835 H2O 3273 H2O H2 3 0.423800 1.0079 0 - 11836 H2O 3274 H2O O1 4 -0.847600 15.9994 0 - 11837 H2O 3274 H2O H1 3 0.423800 1.0079 0 - 11838 H2O 3274 H2O H2 3 0.423800 1.0079 0 - 11839 H2O 3275 H2O O1 4 -0.847600 15.9994 0 - 11840 H2O 3275 H2O H1 3 0.423800 1.0079 0 - 11841 H2O 3275 H2O H2 3 0.423800 1.0079 0 - 11842 H2O 3276 H2O O1 4 -0.847600 15.9994 0 - 11843 H2O 3276 H2O H1 3 0.423800 1.0079 0 - 11844 H2O 3276 H2O H2 3 0.423800 1.0079 0 - 11845 H2O 3277 H2O O1 4 -0.847600 15.9994 0 - 11846 H2O 3277 H2O H1 3 0.423800 1.0079 0 - 11847 H2O 3277 H2O H2 3 0.423800 1.0079 0 - 11848 H2O 3278 H2O O1 4 -0.847600 15.9994 0 - 11849 H2O 3278 H2O H1 3 0.423800 1.0079 0 - 11850 H2O 3278 H2O H2 3 0.423800 1.0079 0 - 11851 H2O 3279 H2O O1 4 -0.847600 15.9994 0 - 11852 H2O 3279 H2O H1 3 0.423800 1.0079 0 - 11853 H2O 3279 H2O H2 3 0.423800 1.0079 0 - 11854 H2O 3280 H2O O1 4 -0.847600 15.9994 0 - 11855 H2O 3280 H2O H1 3 0.423800 1.0079 0 - 11856 H2O 3280 H2O H2 3 0.423800 1.0079 0 - 11857 H2O 3281 H2O O1 4 -0.847600 15.9994 0 - 11858 H2O 3281 H2O H1 3 0.423800 1.0079 0 - 11859 H2O 3281 H2O H2 3 0.423800 1.0079 0 - 11860 H2O 3282 H2O O1 4 -0.847600 15.9994 0 - 11861 H2O 3282 H2O H1 3 0.423800 1.0079 0 - 11862 H2O 3282 H2O H2 3 0.423800 1.0079 0 - 11863 H2O 3283 H2O O1 4 -0.847600 15.9994 0 - 11864 H2O 3283 H2O H1 3 0.423800 1.0079 0 - 11865 H2O 3283 H2O H2 3 0.423800 1.0079 0 - 11866 H2O 3284 H2O O1 4 -0.847600 15.9994 0 - 11867 H2O 3284 H2O H1 3 0.423800 1.0079 0 - 11868 H2O 3284 H2O H2 3 0.423800 1.0079 0 - 11869 H2O 3285 H2O O1 4 -0.847600 15.9994 0 - 11870 H2O 3285 H2O H1 3 0.423800 1.0079 0 - 11871 H2O 3285 H2O H2 3 0.423800 1.0079 0 - 11872 H2O 3286 H2O O1 4 -0.847600 15.9994 0 - 11873 H2O 3286 H2O H1 3 0.423800 1.0079 0 - 11874 H2O 3286 H2O H2 3 0.423800 1.0079 0 - 11875 H2O 3287 H2O O1 4 -0.847600 15.9994 0 - 11876 H2O 3287 H2O H1 3 0.423800 1.0079 0 - 11877 H2O 3287 H2O H2 3 0.423800 1.0079 0 - 11878 H2O 3288 H2O O1 4 -0.847600 15.9994 0 - 11879 H2O 3288 H2O H1 3 0.423800 1.0079 0 - 11880 H2O 3288 H2O H2 3 0.423800 1.0079 0 - 11881 H2O 3289 H2O O1 4 -0.847600 15.9994 0 - 11882 H2O 3289 H2O H1 3 0.423800 1.0079 0 - 11883 H2O 3289 H2O H2 3 0.423800 1.0079 0 - 11884 H2O 3290 H2O O1 4 -0.847600 15.9994 0 - 11885 H2O 3290 H2O H1 3 0.423800 1.0079 0 - 11886 H2O 3290 H2O H2 3 0.423800 1.0079 0 - 11887 H2O 3291 H2O O1 4 -0.847600 15.9994 0 - 11888 H2O 3291 H2O H1 3 0.423800 1.0079 0 - 11889 H2O 3291 H2O H2 3 0.423800 1.0079 0 - 11890 H2O 3292 H2O O1 4 -0.847600 15.9994 0 - 11891 H2O 3292 H2O H1 3 0.423800 1.0079 0 - 11892 H2O 3292 H2O H2 3 0.423800 1.0079 0 - 11893 H2O 3293 H2O O1 4 -0.847600 15.9994 0 - 11894 H2O 3293 H2O H1 3 0.423800 1.0079 0 - 11895 H2O 3293 H2O H2 3 0.423800 1.0079 0 - 11896 H2O 3294 H2O O1 4 -0.847600 15.9994 0 - 11897 H2O 3294 H2O H1 3 0.423800 1.0079 0 - 11898 H2O 3294 H2O H2 3 0.423800 1.0079 0 - 11899 H2O 3295 H2O O1 4 -0.847600 15.9994 0 - 11900 H2O 3295 H2O H1 3 0.423800 1.0079 0 - 11901 H2O 3295 H2O H2 3 0.423800 1.0079 0 - 11902 H2O 3296 H2O O1 4 -0.847600 15.9994 0 - 11903 H2O 3296 H2O H1 3 0.423800 1.0079 0 - 11904 H2O 3296 H2O H2 3 0.423800 1.0079 0 - 11905 H2O 3297 H2O O1 4 -0.847600 15.9994 0 - 11906 H2O 3297 H2O H1 3 0.423800 1.0079 0 - 11907 H2O 3297 H2O H2 3 0.423800 1.0079 0 - 11908 H2O 3298 H2O O1 4 -0.847600 15.9994 0 - 11909 H2O 3298 H2O H1 3 0.423800 1.0079 0 - 11910 H2O 3298 H2O H2 3 0.423800 1.0079 0 - 11911 H2O 3299 H2O O1 4 -0.847600 15.9994 0 - 11912 H2O 3299 H2O H1 3 0.423800 1.0079 0 - 11913 H2O 3299 H2O H2 3 0.423800 1.0079 0 - 11914 H2O 3300 H2O O1 4 -0.847600 15.9994 0 - 11915 H2O 3300 H2O H1 3 0.423800 1.0079 0 - 11916 H2O 3300 H2O H2 3 0.423800 1.0079 0 - 11917 H2O 3301 H2O O1 4 -0.847600 15.9994 0 - 11918 H2O 3301 H2O H1 3 0.423800 1.0079 0 - 11919 H2O 3301 H2O H2 3 0.423800 1.0079 0 - 11920 H2O 3302 H2O O1 4 -0.847600 15.9994 0 - 11921 H2O 3302 H2O H1 3 0.423800 1.0079 0 - 11922 H2O 3302 H2O H2 3 0.423800 1.0079 0 - 11923 H2O 3303 H2O O1 4 -0.847600 15.9994 0 - 11924 H2O 3303 H2O H1 3 0.423800 1.0079 0 - 11925 H2O 3303 H2O H2 3 0.423800 1.0079 0 - 11926 H2O 3304 H2O O1 4 -0.847600 15.9994 0 - 11927 H2O 3304 H2O H1 3 0.423800 1.0079 0 - 11928 H2O 3304 H2O H2 3 0.423800 1.0079 0 - 11929 H2O 3305 H2O O1 4 -0.847600 15.9994 0 - 11930 H2O 3305 H2O H1 3 0.423800 1.0079 0 - 11931 H2O 3305 H2O H2 3 0.423800 1.0079 0 - 11932 H2O 3306 H2O O1 4 -0.847600 15.9994 0 - 11933 H2O 3306 H2O H1 3 0.423800 1.0079 0 - 11934 H2O 3306 H2O H2 3 0.423800 1.0079 0 - 11935 H2O 3307 H2O O1 4 -0.847600 15.9994 0 - 11936 H2O 3307 H2O H1 3 0.423800 1.0079 0 - 11937 H2O 3307 H2O H2 3 0.423800 1.0079 0 - 11938 H2O 3308 H2O O1 4 -0.847600 15.9994 0 - 11939 H2O 3308 H2O H1 3 0.423800 1.0079 0 - 11940 H2O 3308 H2O H2 3 0.423800 1.0079 0 - 11941 H2O 3309 H2O O1 4 -0.847600 15.9994 0 - 11942 H2O 3309 H2O H1 3 0.423800 1.0079 0 - 11943 H2O 3309 H2O H2 3 0.423800 1.0079 0 - 11944 H2O 3310 H2O O1 4 -0.847600 15.9994 0 - 11945 H2O 3310 H2O H1 3 0.423800 1.0079 0 - 11946 H2O 3310 H2O H2 3 0.423800 1.0079 0 - 11947 H2O 3311 H2O O1 4 -0.847600 15.9994 0 - 11948 H2O 3311 H2O H1 3 0.423800 1.0079 0 - 11949 H2O 3311 H2O H2 3 0.423800 1.0079 0 - 11950 H2O 3312 H2O O1 4 -0.847600 15.9994 0 - 11951 H2O 3312 H2O H1 3 0.423800 1.0079 0 - 11952 H2O 3312 H2O H2 3 0.423800 1.0079 0 - 11953 H2O 3313 H2O O1 4 -0.847600 15.9994 0 - 11954 H2O 3313 H2O H1 3 0.423800 1.0079 0 - 11955 H2O 3313 H2O H2 3 0.423800 1.0079 0 - 11956 H2O 3314 H2O O1 4 -0.847600 15.9994 0 - 11957 H2O 3314 H2O H1 3 0.423800 1.0079 0 - 11958 H2O 3314 H2O H2 3 0.423800 1.0079 0 - 11959 H2O 3315 H2O O1 4 -0.847600 15.9994 0 - 11960 H2O 3315 H2O H1 3 0.423800 1.0079 0 - 11961 H2O 3315 H2O H2 3 0.423800 1.0079 0 - 11962 H2O 3316 H2O O1 4 -0.847600 15.9994 0 - 11963 H2O 3316 H2O H1 3 0.423800 1.0079 0 - 11964 H2O 3316 H2O H2 3 0.423800 1.0079 0 - 11965 H2O 3317 H2O O1 4 -0.847600 15.9994 0 - 11966 H2O 3317 H2O H1 3 0.423800 1.0079 0 - 11967 H2O 3317 H2O H2 3 0.423800 1.0079 0 - 11968 H2O 3318 H2O O1 4 -0.847600 15.9994 0 - 11969 H2O 3318 H2O H1 3 0.423800 1.0079 0 - 11970 H2O 3318 H2O H2 3 0.423800 1.0079 0 - 11971 H2O 3319 H2O O1 4 -0.847600 15.9994 0 - 11972 H2O 3319 H2O H1 3 0.423800 1.0079 0 - 11973 H2O 3319 H2O H2 3 0.423800 1.0079 0 - 11974 H2O 3320 H2O O1 4 -0.847600 15.9994 0 - 11975 H2O 3320 H2O H1 3 0.423800 1.0079 0 - 11976 H2O 3320 H2O H2 3 0.423800 1.0079 0 - 11977 H2O 3321 H2O O1 4 -0.847600 15.9994 0 - 11978 H2O 3321 H2O H1 3 0.423800 1.0079 0 - 11979 H2O 3321 H2O H2 3 0.423800 1.0079 0 - 11980 H2O 3322 H2O O1 4 -0.847600 15.9994 0 - 11981 H2O 3322 H2O H1 3 0.423800 1.0079 0 - 11982 H2O 3322 H2O H2 3 0.423800 1.0079 0 - 11983 H2O 3323 H2O O1 4 -0.847600 15.9994 0 - 11984 H2O 3323 H2O H1 3 0.423800 1.0079 0 - 11985 H2O 3323 H2O H2 3 0.423800 1.0079 0 - 11986 H2O 3324 H2O O1 4 -0.847600 15.9994 0 - 11987 H2O 3324 H2O H1 3 0.423800 1.0079 0 - 11988 H2O 3324 H2O H2 3 0.423800 1.0079 0 - 11989 H2O 3325 H2O O1 4 -0.847600 15.9994 0 - 11990 H2O 3325 H2O H1 3 0.423800 1.0079 0 - 11991 H2O 3325 H2O H2 3 0.423800 1.0079 0 - 11992 H2O 3326 H2O O1 4 -0.847600 15.9994 0 - 11993 H2O 3326 H2O H1 3 0.423800 1.0079 0 - 11994 H2O 3326 H2O H2 3 0.423800 1.0079 0 - 11995 H2O 3327 H2O O1 4 -0.847600 15.9994 0 - 11996 H2O 3327 H2O H1 3 0.423800 1.0079 0 - 11997 H2O 3327 H2O H2 3 0.423800 1.0079 0 - 11998 H2O 3328 H2O O1 4 -0.847600 15.9994 0 - 11999 H2O 3328 H2O H1 3 0.423800 1.0079 0 - 12000 H2O 3328 H2O H2 3 0.423800 1.0079 0 - 12001 H2O 3329 H2O O1 4 -0.847600 15.9994 0 - 12002 H2O 3329 H2O H1 3 0.423800 1.0079 0 - 12003 H2O 3329 H2O H2 3 0.423800 1.0079 0 - 12004 H2O 3330 H2O O1 4 -0.847600 15.9994 0 - 12005 H2O 3330 H2O H1 3 0.423800 1.0079 0 - 12006 H2O 3330 H2O H2 3 0.423800 1.0079 0 - 12007 H2O 3331 H2O O1 4 -0.847600 15.9994 0 - 12008 H2O 3331 H2O H1 3 0.423800 1.0079 0 - 12009 H2O 3331 H2O H2 3 0.423800 1.0079 0 - 12010 H2O 3332 H2O O1 4 -0.847600 15.9994 0 - 12011 H2O 3332 H2O H1 3 0.423800 1.0079 0 - 12012 H2O 3332 H2O H2 3 0.423800 1.0079 0 - 12013 H2O 3333 H2O O1 4 -0.847600 15.9994 0 - 12014 H2O 3333 H2O H1 3 0.423800 1.0079 0 - 12015 H2O 3333 H2O H2 3 0.423800 1.0079 0 - 12016 H2O 3334 H2O O1 4 -0.847600 15.9994 0 - 12017 H2O 3334 H2O H1 3 0.423800 1.0079 0 - 12018 H2O 3334 H2O H2 3 0.423800 1.0079 0 - 12019 H2O 3335 H2O O1 4 -0.847600 15.9994 0 - 12020 H2O 3335 H2O H1 3 0.423800 1.0079 0 - 12021 H2O 3335 H2O H2 3 0.423800 1.0079 0 - 12022 H2O 3336 H2O O1 4 -0.847600 15.9994 0 - 12023 H2O 3336 H2O H1 3 0.423800 1.0079 0 - 12024 H2O 3336 H2O H2 3 0.423800 1.0079 0 - 12025 H2O 3337 H2O O1 4 -0.847600 15.9994 0 - 12026 H2O 3337 H2O H1 3 0.423800 1.0079 0 - 12027 H2O 3337 H2O H2 3 0.423800 1.0079 0 - 12028 H2O 3338 H2O O1 4 -0.847600 15.9994 0 - 12029 H2O 3338 H2O H1 3 0.423800 1.0079 0 - 12030 H2O 3338 H2O H2 3 0.423800 1.0079 0 - 12031 H2O 3339 H2O O1 4 -0.847600 15.9994 0 - 12032 H2O 3339 H2O H1 3 0.423800 1.0079 0 - 12033 H2O 3339 H2O H2 3 0.423800 1.0079 0 - 12034 H2O 3340 H2O O1 4 -0.847600 15.9994 0 - 12035 H2O 3340 H2O H1 3 0.423800 1.0079 0 - 12036 H2O 3340 H2O H2 3 0.423800 1.0079 0 - 12037 H2O 3341 H2O O1 4 -0.847600 15.9994 0 - 12038 H2O 3341 H2O H1 3 0.423800 1.0079 0 - 12039 H2O 3341 H2O H2 3 0.423800 1.0079 0 - 12040 H2O 3342 H2O O1 4 -0.847600 15.9994 0 - 12041 H2O 3342 H2O H1 3 0.423800 1.0079 0 - 12042 H2O 3342 H2O H2 3 0.423800 1.0079 0 - 12043 H2O 3343 H2O O1 4 -0.847600 15.9994 0 - 12044 H2O 3343 H2O H1 3 0.423800 1.0079 0 - 12045 H2O 3343 H2O H2 3 0.423800 1.0079 0 - 12046 H2O 3344 H2O O1 4 -0.847600 15.9994 0 - 12047 H2O 3344 H2O H1 3 0.423800 1.0079 0 - 12048 H2O 3344 H2O H2 3 0.423800 1.0079 0 - 12049 H2O 3345 H2O O1 4 -0.847600 15.9994 0 - 12050 H2O 3345 H2O H1 3 0.423800 1.0079 0 - 12051 H2O 3345 H2O H2 3 0.423800 1.0079 0 - 12052 H2O 3346 H2O O1 4 -0.847600 15.9994 0 - 12053 H2O 3346 H2O H1 3 0.423800 1.0079 0 - 12054 H2O 3346 H2O H2 3 0.423800 1.0079 0 - 12055 H2O 3347 H2O O1 4 -0.847600 15.9994 0 - 12056 H2O 3347 H2O H1 3 0.423800 1.0079 0 - 12057 H2O 3347 H2O H2 3 0.423800 1.0079 0 - 12058 H2O 3348 H2O O1 4 -0.847600 15.9994 0 - 12059 H2O 3348 H2O H1 3 0.423800 1.0079 0 - 12060 H2O 3348 H2O H2 3 0.423800 1.0079 0 - 12061 H2O 3349 H2O O1 4 -0.847600 15.9994 0 - 12062 H2O 3349 H2O H1 3 0.423800 1.0079 0 - 12063 H2O 3349 H2O H2 3 0.423800 1.0079 0 - 12064 H2O 3350 H2O O1 4 -0.847600 15.9994 0 - 12065 H2O 3350 H2O H1 3 0.423800 1.0079 0 - 12066 H2O 3350 H2O H2 3 0.423800 1.0079 0 - 12067 H2O 3351 H2O O1 4 -0.847600 15.9994 0 - 12068 H2O 3351 H2O H1 3 0.423800 1.0079 0 - 12069 H2O 3351 H2O H2 3 0.423800 1.0079 0 - 12070 H2O 3352 H2O O1 4 -0.847600 15.9994 0 - 12071 H2O 3352 H2O H1 3 0.423800 1.0079 0 - 12072 H2O 3352 H2O H2 3 0.423800 1.0079 0 - 12073 H2O 3353 H2O O1 4 -0.847600 15.9994 0 - 12074 H2O 3353 H2O H1 3 0.423800 1.0079 0 - 12075 H2O 3353 H2O H2 3 0.423800 1.0079 0 - 12076 H2O 3354 H2O O1 4 -0.847600 15.9994 0 - 12077 H2O 3354 H2O H1 3 0.423800 1.0079 0 - 12078 H2O 3354 H2O H2 3 0.423800 1.0079 0 - 12079 H2O 3355 H2O O1 4 -0.847600 15.9994 0 - 12080 H2O 3355 H2O H1 3 0.423800 1.0079 0 - 12081 H2O 3355 H2O H2 3 0.423800 1.0079 0 - 12082 H2O 3356 H2O O1 4 -0.847600 15.9994 0 - 12083 H2O 3356 H2O H1 3 0.423800 1.0079 0 - 12084 H2O 3356 H2O H2 3 0.423800 1.0079 0 - 12085 H2O 3357 H2O O1 4 -0.847600 15.9994 0 - 12086 H2O 3357 H2O H1 3 0.423800 1.0079 0 - 12087 H2O 3357 H2O H2 3 0.423800 1.0079 0 - 12088 H2O 3358 H2O O1 4 -0.847600 15.9994 0 - 12089 H2O 3358 H2O H1 3 0.423800 1.0079 0 - 12090 H2O 3358 H2O H2 3 0.423800 1.0079 0 - 12091 H2O 3359 H2O O1 4 -0.847600 15.9994 0 - 12092 H2O 3359 H2O H1 3 0.423800 1.0079 0 - 12093 H2O 3359 H2O H2 3 0.423800 1.0079 0 - 12094 H2O 3360 H2O O1 4 -0.847600 15.9994 0 - 12095 H2O 3360 H2O H1 3 0.423800 1.0079 0 - 12096 H2O 3360 H2O H2 3 0.423800 1.0079 0 - 12097 H2O 3361 H2O O1 4 -0.847600 15.9994 0 - 12098 H2O 3361 H2O H1 3 0.423800 1.0079 0 - 12099 H2O 3361 H2O H2 3 0.423800 1.0079 0 - 12100 H2O 3362 H2O O1 4 -0.847600 15.9994 0 - 12101 H2O 3362 H2O H1 3 0.423800 1.0079 0 - 12102 H2O 3362 H2O H2 3 0.423800 1.0079 0 - 12103 H2O 3363 H2O O1 4 -0.847600 15.9994 0 - 12104 H2O 3363 H2O H1 3 0.423800 1.0079 0 - 12105 H2O 3363 H2O H2 3 0.423800 1.0079 0 - 12106 H2O 3364 H2O O1 4 -0.847600 15.9994 0 - 12107 H2O 3364 H2O H1 3 0.423800 1.0079 0 - 12108 H2O 3364 H2O H2 3 0.423800 1.0079 0 - 12109 H2O 3365 H2O O1 4 -0.847600 15.9994 0 - 12110 H2O 3365 H2O H1 3 0.423800 1.0079 0 - 12111 H2O 3365 H2O H2 3 0.423800 1.0079 0 - 12112 H2O 3366 H2O O1 4 -0.847600 15.9994 0 - 12113 H2O 3366 H2O H1 3 0.423800 1.0079 0 - 12114 H2O 3366 H2O H2 3 0.423800 1.0079 0 - 12115 H2O 3367 H2O O1 4 -0.847600 15.9994 0 - 12116 H2O 3367 H2O H1 3 0.423800 1.0079 0 - 12117 H2O 3367 H2O H2 3 0.423800 1.0079 0 - 12118 H2O 3368 H2O O1 4 -0.847600 15.9994 0 - 12119 H2O 3368 H2O H1 3 0.423800 1.0079 0 - 12120 H2O 3368 H2O H2 3 0.423800 1.0079 0 - 12121 H2O 3369 H2O O1 4 -0.847600 15.9994 0 - 12122 H2O 3369 H2O H1 3 0.423800 1.0079 0 - 12123 H2O 3369 H2O H2 3 0.423800 1.0079 0 - 12124 H2O 3370 H2O O1 4 -0.847600 15.9994 0 - 12125 H2O 3370 H2O H1 3 0.423800 1.0079 0 - 12126 H2O 3370 H2O H2 3 0.423800 1.0079 0 - 12127 H2O 3371 H2O O1 4 -0.847600 15.9994 0 - 12128 H2O 3371 H2O H1 3 0.423800 1.0079 0 - 12129 H2O 3371 H2O H2 3 0.423800 1.0079 0 - 12130 H2O 3372 H2O O1 4 -0.847600 15.9994 0 - 12131 H2O 3372 H2O H1 3 0.423800 1.0079 0 - 12132 H2O 3372 H2O H2 3 0.423800 1.0079 0 - 12133 H2O 3373 H2O O1 4 -0.847600 15.9994 0 - 12134 H2O 3373 H2O H1 3 0.423800 1.0079 0 - 12135 H2O 3373 H2O H2 3 0.423800 1.0079 0 - 12136 H2O 3374 H2O O1 4 -0.847600 15.9994 0 - 12137 H2O 3374 H2O H1 3 0.423800 1.0079 0 - 12138 H2O 3374 H2O H2 3 0.423800 1.0079 0 - 12139 H2O 3375 H2O O1 4 -0.847600 15.9994 0 - 12140 H2O 3375 H2O H1 3 0.423800 1.0079 0 - 12141 H2O 3375 H2O H2 3 0.423800 1.0079 0 - 12142 H2O 3376 H2O O1 4 -0.847600 15.9994 0 - 12143 H2O 3376 H2O H1 3 0.423800 1.0079 0 - 12144 H2O 3376 H2O H2 3 0.423800 1.0079 0 - 12145 H2O 3377 H2O O1 4 -0.847600 15.9994 0 - 12146 H2O 3377 H2O H1 3 0.423800 1.0079 0 - 12147 H2O 3377 H2O H2 3 0.423800 1.0079 0 - 12148 H2O 3378 H2O O1 4 -0.847600 15.9994 0 - 12149 H2O 3378 H2O H1 3 0.423800 1.0079 0 - 12150 H2O 3378 H2O H2 3 0.423800 1.0079 0 - 12151 H2O 3379 H2O O1 4 -0.847600 15.9994 0 - 12152 H2O 3379 H2O H1 3 0.423800 1.0079 0 - 12153 H2O 3379 H2O H2 3 0.423800 1.0079 0 - 12154 H2O 3380 H2O O1 4 -0.847600 15.9994 0 - 12155 H2O 3380 H2O H1 3 0.423800 1.0079 0 - 12156 H2O 3380 H2O H2 3 0.423800 1.0079 0 - 12157 H2O 3381 H2O O1 4 -0.847600 15.9994 0 - 12158 H2O 3381 H2O H1 3 0.423800 1.0079 0 - 12159 H2O 3381 H2O H2 3 0.423800 1.0079 0 - 12160 H2O 3382 H2O O1 4 -0.847600 15.9994 0 - 12161 H2O 3382 H2O H1 3 0.423800 1.0079 0 - 12162 H2O 3382 H2O H2 3 0.423800 1.0079 0 - 12163 H2O 3383 H2O O1 4 -0.847600 15.9994 0 - 12164 H2O 3383 H2O H1 3 0.423800 1.0079 0 - 12165 H2O 3383 H2O H2 3 0.423800 1.0079 0 - 12166 H2O 3384 H2O O1 4 -0.847600 15.9994 0 - 12167 H2O 3384 H2O H1 3 0.423800 1.0079 0 - 12168 H2O 3384 H2O H2 3 0.423800 1.0079 0 - 12169 H2O 3385 H2O O1 4 -0.847600 15.9994 0 - 12170 H2O 3385 H2O H1 3 0.423800 1.0079 0 - 12171 H2O 3385 H2O H2 3 0.423800 1.0079 0 - 12172 H2O 3386 H2O O1 4 -0.847600 15.9994 0 - 12173 H2O 3386 H2O H1 3 0.423800 1.0079 0 - 12174 H2O 3386 H2O H2 3 0.423800 1.0079 0 - 12175 H2O 3387 H2O O1 4 -0.847600 15.9994 0 - 12176 H2O 3387 H2O H1 3 0.423800 1.0079 0 - 12177 H2O 3387 H2O H2 3 0.423800 1.0079 0 - 12178 H2O 3388 H2O O1 4 -0.847600 15.9994 0 - 12179 H2O 3388 H2O H1 3 0.423800 1.0079 0 - 12180 H2O 3388 H2O H2 3 0.423800 1.0079 0 - 12181 H2O 3389 H2O O1 4 -0.847600 15.9994 0 - 12182 H2O 3389 H2O H1 3 0.423800 1.0079 0 - 12183 H2O 3389 H2O H2 3 0.423800 1.0079 0 - 12184 H2O 3390 H2O O1 4 -0.847600 15.9994 0 - 12185 H2O 3390 H2O H1 3 0.423800 1.0079 0 - 12186 H2O 3390 H2O H2 3 0.423800 1.0079 0 - 12187 H2O 3391 H2O O1 4 -0.847600 15.9994 0 - 12188 H2O 3391 H2O H1 3 0.423800 1.0079 0 - 12189 H2O 3391 H2O H2 3 0.423800 1.0079 0 - 12190 H2O 3392 H2O O1 4 -0.847600 15.9994 0 - 12191 H2O 3392 H2O H1 3 0.423800 1.0079 0 - 12192 H2O 3392 H2O H2 3 0.423800 1.0079 0 - 12193 H2O 3393 H2O O1 4 -0.847600 15.9994 0 - 12194 H2O 3393 H2O H1 3 0.423800 1.0079 0 - 12195 H2O 3393 H2O H2 3 0.423800 1.0079 0 - 12196 H2O 3394 H2O O1 4 -0.847600 15.9994 0 - 12197 H2O 3394 H2O H1 3 0.423800 1.0079 0 - 12198 H2O 3394 H2O H2 3 0.423800 1.0079 0 - 12199 H2O 3395 H2O O1 4 -0.847600 15.9994 0 - 12200 H2O 3395 H2O H1 3 0.423800 1.0079 0 - 12201 H2O 3395 H2O H2 3 0.423800 1.0079 0 - 12202 H2O 3396 H2O O1 4 -0.847600 15.9994 0 - 12203 H2O 3396 H2O H1 3 0.423800 1.0079 0 - 12204 H2O 3396 H2O H2 3 0.423800 1.0079 0 - 12205 H2O 3397 H2O O1 4 -0.847600 15.9994 0 - 12206 H2O 3397 H2O H1 3 0.423800 1.0079 0 - 12207 H2O 3397 H2O H2 3 0.423800 1.0079 0 - 12208 H2O 3398 H2O O1 4 -0.847600 15.9994 0 - 12209 H2O 3398 H2O H1 3 0.423800 1.0079 0 - 12210 H2O 3398 H2O H2 3 0.423800 1.0079 0 - 12211 H2O 3399 H2O O1 4 -0.847600 15.9994 0 - 12212 H2O 3399 H2O H1 3 0.423800 1.0079 0 - 12213 H2O 3399 H2O H2 3 0.423800 1.0079 0 - 12214 H2O 3400 H2O O1 4 -0.847600 15.9994 0 - 12215 H2O 3400 H2O H1 3 0.423800 1.0079 0 - 12216 H2O 3400 H2O H2 3 0.423800 1.0079 0 - 12217 H2O 3401 H2O O1 4 -0.847600 15.9994 0 - 12218 H2O 3401 H2O H1 3 0.423800 1.0079 0 - 12219 H2O 3401 H2O H2 3 0.423800 1.0079 0 - 12220 H2O 3402 H2O O1 4 -0.847600 15.9994 0 - 12221 H2O 3402 H2O H1 3 0.423800 1.0079 0 - 12222 H2O 3402 H2O H2 3 0.423800 1.0079 0 - 12223 H2O 3403 H2O O1 4 -0.847600 15.9994 0 - 12224 H2O 3403 H2O H1 3 0.423800 1.0079 0 - 12225 H2O 3403 H2O H2 3 0.423800 1.0079 0 - 12226 H2O 3404 H2O O1 4 -0.847600 15.9994 0 - 12227 H2O 3404 H2O H1 3 0.423800 1.0079 0 - 12228 H2O 3404 H2O H2 3 0.423800 1.0079 0 - 12229 H2O 3405 H2O O1 4 -0.847600 15.9994 0 - 12230 H2O 3405 H2O H1 3 0.423800 1.0079 0 - 12231 H2O 3405 H2O H2 3 0.423800 1.0079 0 - 12232 H2O 3406 H2O O1 4 -0.847600 15.9994 0 - 12233 H2O 3406 H2O H1 3 0.423800 1.0079 0 - 12234 H2O 3406 H2O H2 3 0.423800 1.0079 0 - 12235 H2O 3407 H2O O1 4 -0.847600 15.9994 0 - 12236 H2O 3407 H2O H1 3 0.423800 1.0079 0 - 12237 H2O 3407 H2O H2 3 0.423800 1.0079 0 - 12238 H2O 3408 H2O O1 4 -0.847600 15.9994 0 - 12239 H2O 3408 H2O H1 3 0.423800 1.0079 0 - 12240 H2O 3408 H2O H2 3 0.423800 1.0079 0 - 12241 H2O 3409 H2O O1 4 -0.847600 15.9994 0 - 12242 H2O 3409 H2O H1 3 0.423800 1.0079 0 - 12243 H2O 3409 H2O H2 3 0.423800 1.0079 0 - 12244 H2O 3410 H2O O1 4 -0.847600 15.9994 0 - 12245 H2O 3410 H2O H1 3 0.423800 1.0079 0 - 12246 H2O 3410 H2O H2 3 0.423800 1.0079 0 - 12247 H2O 3411 H2O O1 4 -0.847600 15.9994 0 - 12248 H2O 3411 H2O H1 3 0.423800 1.0079 0 - 12249 H2O 3411 H2O H2 3 0.423800 1.0079 0 - 12250 H2O 3412 H2O O1 4 -0.847600 15.9994 0 - 12251 H2O 3412 H2O H1 3 0.423800 1.0079 0 - 12252 H2O 3412 H2O H2 3 0.423800 1.0079 0 - 12253 H2O 3413 H2O O1 4 -0.847600 15.9994 0 - 12254 H2O 3413 H2O H1 3 0.423800 1.0079 0 - 12255 H2O 3413 H2O H2 3 0.423800 1.0079 0 - 12256 H2O 3414 H2O O1 4 -0.847600 15.9994 0 - 12257 H2O 3414 H2O H1 3 0.423800 1.0079 0 - 12258 H2O 3414 H2O H2 3 0.423800 1.0079 0 - 12259 H2O 3415 H2O O1 4 -0.847600 15.9994 0 - 12260 H2O 3415 H2O H1 3 0.423800 1.0079 0 - 12261 H2O 3415 H2O H2 3 0.423800 1.0079 0 - 12262 H2O 3416 H2O O1 4 -0.847600 15.9994 0 - 12263 H2O 3416 H2O H1 3 0.423800 1.0079 0 - 12264 H2O 3416 H2O H2 3 0.423800 1.0079 0 - 12265 H2O 3417 H2O O1 4 -0.847600 15.9994 0 - 12266 H2O 3417 H2O H1 3 0.423800 1.0079 0 - 12267 H2O 3417 H2O H2 3 0.423800 1.0079 0 - 12268 H2O 3418 H2O O1 4 -0.847600 15.9994 0 - 12269 H2O 3418 H2O H1 3 0.423800 1.0079 0 - 12270 H2O 3418 H2O H2 3 0.423800 1.0079 0 - 12271 H2O 3419 H2O O1 4 -0.847600 15.9994 0 - 12272 H2O 3419 H2O H1 3 0.423800 1.0079 0 - 12273 H2O 3419 H2O H2 3 0.423800 1.0079 0 - 12274 H2O 3420 H2O O1 4 -0.847600 15.9994 0 - 12275 H2O 3420 H2O H1 3 0.423800 1.0079 0 - 12276 H2O 3420 H2O H2 3 0.423800 1.0079 0 - 12277 H2O 3421 H2O O1 4 -0.847600 15.9994 0 - 12278 H2O 3421 H2O H1 3 0.423800 1.0079 0 - 12279 H2O 3421 H2O H2 3 0.423800 1.0079 0 - 12280 H2O 3422 H2O O1 4 -0.847600 15.9994 0 - 12281 H2O 3422 H2O H1 3 0.423800 1.0079 0 - 12282 H2O 3422 H2O H2 3 0.423800 1.0079 0 - 12283 H2O 3423 H2O O1 4 -0.847600 15.9994 0 - 12284 H2O 3423 H2O H1 3 0.423800 1.0079 0 - 12285 H2O 3423 H2O H2 3 0.423800 1.0079 0 - 12286 H2O 3424 H2O O1 4 -0.847600 15.9994 0 - 12287 H2O 3424 H2O H1 3 0.423800 1.0079 0 - 12288 H2O 3424 H2O H2 3 0.423800 1.0079 0 - 12289 H2O 3425 H2O O1 4 -0.847600 15.9994 0 - 12290 H2O 3425 H2O H1 3 0.423800 1.0079 0 - 12291 H2O 3425 H2O H2 3 0.423800 1.0079 0 - 12292 H2O 3426 H2O O1 4 -0.847600 15.9994 0 - 12293 H2O 3426 H2O H1 3 0.423800 1.0079 0 - 12294 H2O 3426 H2O H2 3 0.423800 1.0079 0 - 12295 H2O 3427 H2O O1 4 -0.847600 15.9994 0 - 12296 H2O 3427 H2O H1 3 0.423800 1.0079 0 - 12297 H2O 3427 H2O H2 3 0.423800 1.0079 0 - 12298 H2O 3428 H2O O1 4 -0.847600 15.9994 0 - 12299 H2O 3428 H2O H1 3 0.423800 1.0079 0 - 12300 H2O 3428 H2O H2 3 0.423800 1.0079 0 - 12301 H2O 3429 H2O O1 4 -0.847600 15.9994 0 - 12302 H2O 3429 H2O H1 3 0.423800 1.0079 0 - 12303 H2O 3429 H2O H2 3 0.423800 1.0079 0 - 12304 H2O 3430 H2O O1 4 -0.847600 15.9994 0 - 12305 H2O 3430 H2O H1 3 0.423800 1.0079 0 - 12306 H2O 3430 H2O H2 3 0.423800 1.0079 0 - 12307 H2O 3431 H2O O1 4 -0.847600 15.9994 0 - 12308 H2O 3431 H2O H1 3 0.423800 1.0079 0 - 12309 H2O 3431 H2O H2 3 0.423800 1.0079 0 - 12310 H2O 3432 H2O O1 4 -0.847600 15.9994 0 - 12311 H2O 3432 H2O H1 3 0.423800 1.0079 0 - 12312 H2O 3432 H2O H2 3 0.423800 1.0079 0 - 12313 H2O 3433 H2O O1 4 -0.847600 15.9994 0 - 12314 H2O 3433 H2O H1 3 0.423800 1.0079 0 - 12315 H2O 3433 H2O H2 3 0.423800 1.0079 0 - 12316 H2O 3434 H2O O1 4 -0.847600 15.9994 0 - 12317 H2O 3434 H2O H1 3 0.423800 1.0079 0 - 12318 H2O 3434 H2O H2 3 0.423800 1.0079 0 - 12319 H2O 3435 H2O O1 4 -0.847600 15.9994 0 - 12320 H2O 3435 H2O H1 3 0.423800 1.0079 0 - 12321 H2O 3435 H2O H2 3 0.423800 1.0079 0 - 12322 H2O 3436 H2O O1 4 -0.847600 15.9994 0 - 12323 H2O 3436 H2O H1 3 0.423800 1.0079 0 - 12324 H2O 3436 H2O H2 3 0.423800 1.0079 0 - 12325 H2O 3437 H2O O1 4 -0.847600 15.9994 0 - 12326 H2O 3437 H2O H1 3 0.423800 1.0079 0 - 12327 H2O 3437 H2O H2 3 0.423800 1.0079 0 - 12328 H2O 3438 H2O O1 4 -0.847600 15.9994 0 - 12329 H2O 3438 H2O H1 3 0.423800 1.0079 0 - 12330 H2O 3438 H2O H2 3 0.423800 1.0079 0 - 12331 H2O 3439 H2O O1 4 -0.847600 15.9994 0 - 12332 H2O 3439 H2O H1 3 0.423800 1.0079 0 - 12333 H2O 3439 H2O H2 3 0.423800 1.0079 0 - 12334 H2O 3440 H2O O1 4 -0.847600 15.9994 0 - 12335 H2O 3440 H2O H1 3 0.423800 1.0079 0 - 12336 H2O 3440 H2O H2 3 0.423800 1.0079 0 - 12337 H2O 3441 H2O O1 4 -0.847600 15.9994 0 - 12338 H2O 3441 H2O H1 3 0.423800 1.0079 0 - 12339 H2O 3441 H2O H2 3 0.423800 1.0079 0 - 12340 H2O 3442 H2O O1 4 -0.847600 15.9994 0 - 12341 H2O 3442 H2O H1 3 0.423800 1.0079 0 - 12342 H2O 3442 H2O H2 3 0.423800 1.0079 0 - 12343 H2O 3443 H2O O1 4 -0.847600 15.9994 0 - 12344 H2O 3443 H2O H1 3 0.423800 1.0079 0 - 12345 H2O 3443 H2O H2 3 0.423800 1.0079 0 - 12346 H2O 3444 H2O O1 4 -0.847600 15.9994 0 - 12347 H2O 3444 H2O H1 3 0.423800 1.0079 0 - 12348 H2O 3444 H2O H2 3 0.423800 1.0079 0 - 12349 H2O 3445 H2O O1 4 -0.847600 15.9994 0 - 12350 H2O 3445 H2O H1 3 0.423800 1.0079 0 - 12351 H2O 3445 H2O H2 3 0.423800 1.0079 0 - 12352 H2O 3446 H2O O1 4 -0.847600 15.9994 0 - 12353 H2O 3446 H2O H1 3 0.423800 1.0079 0 - 12354 H2O 3446 H2O H2 3 0.423800 1.0079 0 - 12355 H2O 3447 H2O O1 4 -0.847600 15.9994 0 - 12356 H2O 3447 H2O H1 3 0.423800 1.0079 0 - 12357 H2O 3447 H2O H2 3 0.423800 1.0079 0 - 12358 H2O 3448 H2O O1 4 -0.847600 15.9994 0 - 12359 H2O 3448 H2O H1 3 0.423800 1.0079 0 - 12360 H2O 3448 H2O H2 3 0.423800 1.0079 0 - 12361 H2O 3449 H2O O1 4 -0.847600 15.9994 0 - 12362 H2O 3449 H2O H1 3 0.423800 1.0079 0 - 12363 H2O 3449 H2O H2 3 0.423800 1.0079 0 - 12364 H2O 3450 H2O O1 4 -0.847600 15.9994 0 - 12365 H2O 3450 H2O H1 3 0.423800 1.0079 0 - 12366 H2O 3450 H2O H2 3 0.423800 1.0079 0 - 12367 H2O 3451 H2O O1 4 -0.847600 15.9994 0 - 12368 H2O 3451 H2O H1 3 0.423800 1.0079 0 - 12369 H2O 3451 H2O H2 3 0.423800 1.0079 0 - 12370 H2O 3452 H2O O1 4 -0.847600 15.9994 0 - 12371 H2O 3452 H2O H1 3 0.423800 1.0079 0 - 12372 H2O 3452 H2O H2 3 0.423800 1.0079 0 - 12373 H2O 3453 H2O O1 4 -0.847600 15.9994 0 - 12374 H2O 3453 H2O H1 3 0.423800 1.0079 0 - 12375 H2O 3453 H2O H2 3 0.423800 1.0079 0 - 12376 H2O 3454 H2O O1 4 -0.847600 15.9994 0 - 12377 H2O 3454 H2O H1 3 0.423800 1.0079 0 - 12378 H2O 3454 H2O H2 3 0.423800 1.0079 0 - 12379 H2O 3455 H2O O1 4 -0.847600 15.9994 0 - 12380 H2O 3455 H2O H1 3 0.423800 1.0079 0 - 12381 H2O 3455 H2O H2 3 0.423800 1.0079 0 - 12382 H2O 3456 H2O O1 4 -0.847600 15.9994 0 - 12383 H2O 3456 H2O H1 3 0.423800 1.0079 0 - 12384 H2O 3456 H2O H2 3 0.423800 1.0079 0 - 12385 H2O 3457 H2O O1 4 -0.847600 15.9994 0 - 12386 H2O 3457 H2O H1 3 0.423800 1.0079 0 - 12387 H2O 3457 H2O H2 3 0.423800 1.0079 0 - 12388 H2O 3458 H2O O1 4 -0.847600 15.9994 0 - 12389 H2O 3458 H2O H1 3 0.423800 1.0079 0 - 12390 H2O 3458 H2O H2 3 0.423800 1.0079 0 - 12391 H2O 3459 H2O O1 4 -0.847600 15.9994 0 - 12392 H2O 3459 H2O H1 3 0.423800 1.0079 0 - 12393 H2O 3459 H2O H2 3 0.423800 1.0079 0 - 12394 H2O 3460 H2O O1 4 -0.847600 15.9994 0 - 12395 H2O 3460 H2O H1 3 0.423800 1.0079 0 - 12396 H2O 3460 H2O H2 3 0.423800 1.0079 0 - 12397 H2O 3461 H2O O1 4 -0.847600 15.9994 0 - 12398 H2O 3461 H2O H1 3 0.423800 1.0079 0 - 12399 H2O 3461 H2O H2 3 0.423800 1.0079 0 - 12400 H2O 3462 H2O O1 4 -0.847600 15.9994 0 - 12401 H2O 3462 H2O H1 3 0.423800 1.0079 0 - 12402 H2O 3462 H2O H2 3 0.423800 1.0079 0 - 12403 H2O 3463 H2O O1 4 -0.847600 15.9994 0 - 12404 H2O 3463 H2O H1 3 0.423800 1.0079 0 - 12405 H2O 3463 H2O H2 3 0.423800 1.0079 0 - 12406 H2O 3464 H2O O1 4 -0.847600 15.9994 0 - 12407 H2O 3464 H2O H1 3 0.423800 1.0079 0 - 12408 H2O 3464 H2O H2 3 0.423800 1.0079 0 - 12409 H2O 3465 H2O O1 4 -0.847600 15.9994 0 - 12410 H2O 3465 H2O H1 3 0.423800 1.0079 0 - 12411 H2O 3465 H2O H2 3 0.423800 1.0079 0 - 12412 H2O 3466 H2O O1 4 -0.847600 15.9994 0 - 12413 H2O 3466 H2O H1 3 0.423800 1.0079 0 - 12414 H2O 3466 H2O H2 3 0.423800 1.0079 0 - 12415 H2O 3467 H2O O1 4 -0.847600 15.9994 0 - 12416 H2O 3467 H2O H1 3 0.423800 1.0079 0 - 12417 H2O 3467 H2O H2 3 0.423800 1.0079 0 - 12418 H2O 3468 H2O O1 4 -0.847600 15.9994 0 - 12419 H2O 3468 H2O H1 3 0.423800 1.0079 0 - 12420 H2O 3468 H2O H2 3 0.423800 1.0079 0 - 12421 H2O 3469 H2O O1 4 -0.847600 15.9994 0 - 12422 H2O 3469 H2O H1 3 0.423800 1.0079 0 - 12423 H2O 3469 H2O H2 3 0.423800 1.0079 0 - 12424 H2O 3470 H2O O1 4 -0.847600 15.9994 0 - 12425 H2O 3470 H2O H1 3 0.423800 1.0079 0 - 12426 H2O 3470 H2O H2 3 0.423800 1.0079 0 - 12427 H2O 3471 H2O O1 4 -0.847600 15.9994 0 - 12428 H2O 3471 H2O H1 3 0.423800 1.0079 0 - 12429 H2O 3471 H2O H2 3 0.423800 1.0079 0 - 12430 H2O 3472 H2O O1 4 -0.847600 15.9994 0 - 12431 H2O 3472 H2O H1 3 0.423800 1.0079 0 - 12432 H2O 3472 H2O H2 3 0.423800 1.0079 0 - 12433 H2O 3473 H2O O1 4 -0.847600 15.9994 0 - 12434 H2O 3473 H2O H1 3 0.423800 1.0079 0 - 12435 H2O 3473 H2O H2 3 0.423800 1.0079 0 - 12436 H2O 3474 H2O O1 4 -0.847600 15.9994 0 - 12437 H2O 3474 H2O H1 3 0.423800 1.0079 0 - 12438 H2O 3474 H2O H2 3 0.423800 1.0079 0 - 12439 H2O 3475 H2O O1 4 -0.847600 15.9994 0 - 12440 H2O 3475 H2O H1 3 0.423800 1.0079 0 - 12441 H2O 3475 H2O H2 3 0.423800 1.0079 0 - 12442 H2O 3476 H2O O1 4 -0.847600 15.9994 0 - 12443 H2O 3476 H2O H1 3 0.423800 1.0079 0 - 12444 H2O 3476 H2O H2 3 0.423800 1.0079 0 - 12445 H2O 3477 H2O O1 4 -0.847600 15.9994 0 - 12446 H2O 3477 H2O H1 3 0.423800 1.0079 0 - 12447 H2O 3477 H2O H2 3 0.423800 1.0079 0 - 12448 H2O 3478 H2O O1 4 -0.847600 15.9994 0 - 12449 H2O 3478 H2O H1 3 0.423800 1.0079 0 - 12450 H2O 3478 H2O H2 3 0.423800 1.0079 0 - 12451 H2O 3479 H2O O1 4 -0.847600 15.9994 0 - 12452 H2O 3479 H2O H1 3 0.423800 1.0079 0 - 12453 H2O 3479 H2O H2 3 0.423800 1.0079 0 - 12454 H2O 3480 H2O O1 4 -0.847600 15.9994 0 - 12455 H2O 3480 H2O H1 3 0.423800 1.0079 0 - 12456 H2O 3480 H2O H2 3 0.423800 1.0079 0 - 12457 H2O 3481 H2O O1 4 -0.847600 15.9994 0 - 12458 H2O 3481 H2O H1 3 0.423800 1.0079 0 - 12459 H2O 3481 H2O H2 3 0.423800 1.0079 0 - 12460 H2O 3482 H2O O1 4 -0.847600 15.9994 0 - 12461 H2O 3482 H2O H1 3 0.423800 1.0079 0 - 12462 H2O 3482 H2O H2 3 0.423800 1.0079 0 - 12463 H2O 3483 H2O O1 4 -0.847600 15.9994 0 - 12464 H2O 3483 H2O H1 3 0.423800 1.0079 0 - 12465 H2O 3483 H2O H2 3 0.423800 1.0079 0 - 12466 H2O 3484 H2O O1 4 -0.847600 15.9994 0 - 12467 H2O 3484 H2O H1 3 0.423800 1.0079 0 - 12468 H2O 3484 H2O H2 3 0.423800 1.0079 0 - 12469 H2O 3485 H2O O1 4 -0.847600 15.9994 0 - 12470 H2O 3485 H2O H1 3 0.423800 1.0079 0 - 12471 H2O 3485 H2O H2 3 0.423800 1.0079 0 - 12472 H2O 3486 H2O O1 4 -0.847600 15.9994 0 - 12473 H2O 3486 H2O H1 3 0.423800 1.0079 0 - 12474 H2O 3486 H2O H2 3 0.423800 1.0079 0 - 12475 H2O 3487 H2O O1 4 -0.847600 15.9994 0 - 12476 H2O 3487 H2O H1 3 0.423800 1.0079 0 - 12477 H2O 3487 H2O H2 3 0.423800 1.0079 0 - 12478 H2O 3488 H2O O1 4 -0.847600 15.9994 0 - 12479 H2O 3488 H2O H1 3 0.423800 1.0079 0 - 12480 H2O 3488 H2O H2 3 0.423800 1.0079 0 - 12481 H2O 3489 H2O O1 4 -0.847600 15.9994 0 - 12482 H2O 3489 H2O H1 3 0.423800 1.0079 0 - 12483 H2O 3489 H2O H2 3 0.423800 1.0079 0 - 12484 H2O 3490 H2O O1 4 -0.847600 15.9994 0 - 12485 H2O 3490 H2O H1 3 0.423800 1.0079 0 - 12486 H2O 3490 H2O H2 3 0.423800 1.0079 0 - 12487 H2O 3491 H2O O1 4 -0.847600 15.9994 0 - 12488 H2O 3491 H2O H1 3 0.423800 1.0079 0 - 12489 H2O 3491 H2O H2 3 0.423800 1.0079 0 - 12490 H2O 3492 H2O O1 4 -0.847600 15.9994 0 - 12491 H2O 3492 H2O H1 3 0.423800 1.0079 0 - 12492 H2O 3492 H2O H2 3 0.423800 1.0079 0 - 12493 H2O 3493 H2O O1 4 -0.847600 15.9994 0 - 12494 H2O 3493 H2O H1 3 0.423800 1.0079 0 - 12495 H2O 3493 H2O H2 3 0.423800 1.0079 0 - 12496 H2O 3494 H2O O1 4 -0.847600 15.9994 0 - 12497 H2O 3494 H2O H1 3 0.423800 1.0079 0 - 12498 H2O 3494 H2O H2 3 0.423800 1.0079 0 - 12499 H2O 3495 H2O O1 4 -0.847600 15.9994 0 - 12500 H2O 3495 H2O H1 3 0.423800 1.0079 0 - 12501 H2O 3495 H2O H2 3 0.423800 1.0079 0 - 12502 H2O 3496 H2O O1 4 -0.847600 15.9994 0 - 12503 H2O 3496 H2O H1 3 0.423800 1.0079 0 - 12504 H2O 3496 H2O H2 3 0.423800 1.0079 0 - 12505 H2O 3497 H2O O1 4 -0.847600 15.9994 0 - 12506 H2O 3497 H2O H1 3 0.423800 1.0079 0 - 12507 H2O 3497 H2O H2 3 0.423800 1.0079 0 - 12508 H2O 3498 H2O O1 4 -0.847600 15.9994 0 - 12509 H2O 3498 H2O H1 3 0.423800 1.0079 0 - 12510 H2O 3498 H2O H2 3 0.423800 1.0079 0 - 12511 H2O 3499 H2O O1 4 -0.847600 15.9994 0 - 12512 H2O 3499 H2O H1 3 0.423800 1.0079 0 - 12513 H2O 3499 H2O H2 3 0.423800 1.0079 0 - 12514 H2O 3500 H2O O1 4 -0.847600 15.9994 0 - 12515 H2O 3500 H2O H1 3 0.423800 1.0079 0 - 12516 H2O 3500 H2O H2 3 0.423800 1.0079 0 - 12517 H2O 3501 H2O O1 4 -0.847600 15.9994 0 - 12518 H2O 3501 H2O H1 3 0.423800 1.0079 0 - 12519 H2O 3501 H2O H2 3 0.423800 1.0079 0 - 12520 H2O 3502 H2O O1 4 -0.847600 15.9994 0 - 12521 H2O 3502 H2O H1 3 0.423800 1.0079 0 - 12522 H2O 3502 H2O H2 3 0.423800 1.0079 0 - 12523 H2O 3503 H2O O1 4 -0.847600 15.9994 0 - 12524 H2O 3503 H2O H1 3 0.423800 1.0079 0 - 12525 H2O 3503 H2O H2 3 0.423800 1.0079 0 - 12526 H2O 3504 H2O O1 4 -0.847600 15.9994 0 - 12527 H2O 3504 H2O H1 3 0.423800 1.0079 0 - 12528 H2O 3504 H2O H2 3 0.423800 1.0079 0 - 12529 H2O 3505 H2O O1 4 -0.847600 15.9994 0 - 12530 H2O 3505 H2O H1 3 0.423800 1.0079 0 - 12531 H2O 3505 H2O H2 3 0.423800 1.0079 0 - 12532 H2O 3506 H2O O1 4 -0.847600 15.9994 0 - 12533 H2O 3506 H2O H1 3 0.423800 1.0079 0 - 12534 H2O 3506 H2O H2 3 0.423800 1.0079 0 - 12535 H2O 3507 H2O O1 4 -0.847600 15.9994 0 - 12536 H2O 3507 H2O H1 3 0.423800 1.0079 0 - 12537 H2O 3507 H2O H2 3 0.423800 1.0079 0 - 12538 H2O 3508 H2O O1 4 -0.847600 15.9994 0 - 12539 H2O 3508 H2O H1 3 0.423800 1.0079 0 - 12540 H2O 3508 H2O H2 3 0.423800 1.0079 0 - 12541 H2O 3509 H2O O1 4 -0.847600 15.9994 0 - 12542 H2O 3509 H2O H1 3 0.423800 1.0079 0 - 12543 H2O 3509 H2O H2 3 0.423800 1.0079 0 - 12544 H2O 3510 H2O O1 4 -0.847600 15.9994 0 - 12545 H2O 3510 H2O H1 3 0.423800 1.0079 0 - 12546 H2O 3510 H2O H2 3 0.423800 1.0079 0 - 12547 H2O 3511 H2O O1 4 -0.847600 15.9994 0 - 12548 H2O 3511 H2O H1 3 0.423800 1.0079 0 - 12549 H2O 3511 H2O H2 3 0.423800 1.0079 0 - 12550 H2O 3512 H2O O1 4 -0.847600 15.9994 0 - 12551 H2O 3512 H2O H1 3 0.423800 1.0079 0 - 12552 H2O 3512 H2O H2 3 0.423800 1.0079 0 - 12553 H2O 3513 H2O O1 4 -0.847600 15.9994 0 - 12554 H2O 3513 H2O H1 3 0.423800 1.0079 0 - 12555 H2O 3513 H2O H2 3 0.423800 1.0079 0 - 12556 H2O 3514 H2O O1 4 -0.847600 15.9994 0 - 12557 H2O 3514 H2O H1 3 0.423800 1.0079 0 - 12558 H2O 3514 H2O H2 3 0.423800 1.0079 0 - 12559 H2O 3515 H2O O1 4 -0.847600 15.9994 0 - 12560 H2O 3515 H2O H1 3 0.423800 1.0079 0 - 12561 H2O 3515 H2O H2 3 0.423800 1.0079 0 - 12562 H2O 3516 H2O O1 4 -0.847600 15.9994 0 - 12563 H2O 3516 H2O H1 3 0.423800 1.0079 0 - 12564 H2O 3516 H2O H2 3 0.423800 1.0079 0 - 12565 H2O 3517 H2O O1 4 -0.847600 15.9994 0 - 12566 H2O 3517 H2O H1 3 0.423800 1.0079 0 - 12567 H2O 3517 H2O H2 3 0.423800 1.0079 0 - 12568 H2O 3518 H2O O1 4 -0.847600 15.9994 0 - 12569 H2O 3518 H2O H1 3 0.423800 1.0079 0 - 12570 H2O 3518 H2O H2 3 0.423800 1.0079 0 - 12571 H2O 3519 H2O O1 4 -0.847600 15.9994 0 - 12572 H2O 3519 H2O H1 3 0.423800 1.0079 0 - 12573 H2O 3519 H2O H2 3 0.423800 1.0079 0 - 12574 H2O 3520 H2O O1 4 -0.847600 15.9994 0 - 12575 H2O 3520 H2O H1 3 0.423800 1.0079 0 - 12576 H2O 3520 H2O H2 3 0.423800 1.0079 0 - 12577 H2O 3521 H2O O1 4 -0.847600 15.9994 0 - 12578 H2O 3521 H2O H1 3 0.423800 1.0079 0 - 12579 H2O 3521 H2O H2 3 0.423800 1.0079 0 - 12580 H2O 3522 H2O O1 4 -0.847600 15.9994 0 - 12581 H2O 3522 H2O H1 3 0.423800 1.0079 0 - 12582 H2O 3522 H2O H2 3 0.423800 1.0079 0 - 12583 H2O 3523 H2O O1 4 -0.847600 15.9994 0 - 12584 H2O 3523 H2O H1 3 0.423800 1.0079 0 - 12585 H2O 3523 H2O H2 3 0.423800 1.0079 0 - 12586 H2O 3524 H2O O1 4 -0.847600 15.9994 0 - 12587 H2O 3524 H2O H1 3 0.423800 1.0079 0 - 12588 H2O 3524 H2O H2 3 0.423800 1.0079 0 - 12589 H2O 3525 H2O O1 4 -0.847600 15.9994 0 - 12590 H2O 3525 H2O H1 3 0.423800 1.0079 0 - 12591 H2O 3525 H2O H2 3 0.423800 1.0079 0 - 12592 H2O 3526 H2O O1 4 -0.847600 15.9994 0 - 12593 H2O 3526 H2O H1 3 0.423800 1.0079 0 - 12594 H2O 3526 H2O H2 3 0.423800 1.0079 0 - 12595 H2O 3527 H2O O1 4 -0.847600 15.9994 0 - 12596 H2O 3527 H2O H1 3 0.423800 1.0079 0 - 12597 H2O 3527 H2O H2 3 0.423800 1.0079 0 - 12598 H2O 3528 H2O O1 4 -0.847600 15.9994 0 - 12599 H2O 3528 H2O H1 3 0.423800 1.0079 0 - 12600 H2O 3528 H2O H2 3 0.423800 1.0079 0 - 12601 H2O 3529 H2O O1 4 -0.847600 15.9994 0 - 12602 H2O 3529 H2O H1 3 0.423800 1.0079 0 - 12603 H2O 3529 H2O H2 3 0.423800 1.0079 0 - 12604 H2O 3530 H2O O1 4 -0.847600 15.9994 0 - 12605 H2O 3530 H2O H1 3 0.423800 1.0079 0 - 12606 H2O 3530 H2O H2 3 0.423800 1.0079 0 - 12607 H2O 3531 H2O O1 4 -0.847600 15.9994 0 - 12608 H2O 3531 H2O H1 3 0.423800 1.0079 0 - 12609 H2O 3531 H2O H2 3 0.423800 1.0079 0 - 12610 H2O 3532 H2O O1 4 -0.847600 15.9994 0 - 12611 H2O 3532 H2O H1 3 0.423800 1.0079 0 - 12612 H2O 3532 H2O H2 3 0.423800 1.0079 0 - 12613 H2O 3533 H2O O1 4 -0.847600 15.9994 0 - 12614 H2O 3533 H2O H1 3 0.423800 1.0079 0 - 12615 H2O 3533 H2O H2 3 0.423800 1.0079 0 - 12616 H2O 3534 H2O O1 4 -0.847600 15.9994 0 - 12617 H2O 3534 H2O H1 3 0.423800 1.0079 0 - 12618 H2O 3534 H2O H2 3 0.423800 1.0079 0 - 12619 H2O 3535 H2O O1 4 -0.847600 15.9994 0 - 12620 H2O 3535 H2O H1 3 0.423800 1.0079 0 - 12621 H2O 3535 H2O H2 3 0.423800 1.0079 0 - 12622 H2O 3536 H2O O1 4 -0.847600 15.9994 0 - 12623 H2O 3536 H2O H1 3 0.423800 1.0079 0 - 12624 H2O 3536 H2O H2 3 0.423800 1.0079 0 - 12625 H2O 3537 H2O O1 4 -0.847600 15.9994 0 - 12626 H2O 3537 H2O H1 3 0.423800 1.0079 0 - 12627 H2O 3537 H2O H2 3 0.423800 1.0079 0 - 12628 H2O 3538 H2O O1 4 -0.847600 15.9994 0 - 12629 H2O 3538 H2O H1 3 0.423800 1.0079 0 - 12630 H2O 3538 H2O H2 3 0.423800 1.0079 0 - 12631 H2O 3539 H2O O1 4 -0.847600 15.9994 0 - 12632 H2O 3539 H2O H1 3 0.423800 1.0079 0 - 12633 H2O 3539 H2O H2 3 0.423800 1.0079 0 - 12634 H2O 3540 H2O O1 4 -0.847600 15.9994 0 - 12635 H2O 3540 H2O H1 3 0.423800 1.0079 0 - 12636 H2O 3540 H2O H2 3 0.423800 1.0079 0 - 12637 H2O 3541 H2O O1 4 -0.847600 15.9994 0 - 12638 H2O 3541 H2O H1 3 0.423800 1.0079 0 - 12639 H2O 3541 H2O H2 3 0.423800 1.0079 0 - 12640 H2O 3542 H2O O1 4 -0.847600 15.9994 0 - 12641 H2O 3542 H2O H1 3 0.423800 1.0079 0 - 12642 H2O 3542 H2O H2 3 0.423800 1.0079 0 - 12643 H2O 3543 H2O O1 4 -0.847600 15.9994 0 - 12644 H2O 3543 H2O H1 3 0.423800 1.0079 0 - 12645 H2O 3543 H2O H2 3 0.423800 1.0079 0 - 12646 H2O 3544 H2O O1 4 -0.847600 15.9994 0 - 12647 H2O 3544 H2O H1 3 0.423800 1.0079 0 - 12648 H2O 3544 H2O H2 3 0.423800 1.0079 0 - 12649 H2O 3545 H2O O1 4 -0.847600 15.9994 0 - 12650 H2O 3545 H2O H1 3 0.423800 1.0079 0 - 12651 H2O 3545 H2O H2 3 0.423800 1.0079 0 - 12652 H2O 3546 H2O O1 4 -0.847600 15.9994 0 - 12653 H2O 3546 H2O H1 3 0.423800 1.0079 0 - 12654 H2O 3546 H2O H2 3 0.423800 1.0079 0 - 12655 H2O 3547 H2O O1 4 -0.847600 15.9994 0 - 12656 H2O 3547 H2O H1 3 0.423800 1.0079 0 - 12657 H2O 3547 H2O H2 3 0.423800 1.0079 0 - 12658 H2O 3548 H2O O1 4 -0.847600 15.9994 0 - 12659 H2O 3548 H2O H1 3 0.423800 1.0079 0 - 12660 H2O 3548 H2O H2 3 0.423800 1.0079 0 - 12661 H2O 3549 H2O O1 4 -0.847600 15.9994 0 - 12662 H2O 3549 H2O H1 3 0.423800 1.0079 0 - 12663 H2O 3549 H2O H2 3 0.423800 1.0079 0 - 12664 H2O 3550 H2O O1 4 -0.847600 15.9994 0 - 12665 H2O 3550 H2O H1 3 0.423800 1.0079 0 - 12666 H2O 3550 H2O H2 3 0.423800 1.0079 0 - 12667 H2O 3551 H2O O1 4 -0.847600 15.9994 0 - 12668 H2O 3551 H2O H1 3 0.423800 1.0079 0 - 12669 H2O 3551 H2O H2 3 0.423800 1.0079 0 - 12670 H2O 3552 H2O O1 4 -0.847600 15.9994 0 - 12671 H2O 3552 H2O H1 3 0.423800 1.0079 0 - 12672 H2O 3552 H2O H2 3 0.423800 1.0079 0 - 12673 H2O 3553 H2O O1 4 -0.847600 15.9994 0 - 12674 H2O 3553 H2O H1 3 0.423800 1.0079 0 - 12675 H2O 3553 H2O H2 3 0.423800 1.0079 0 - 12676 H2O 3554 H2O O1 4 -0.847600 15.9994 0 - 12677 H2O 3554 H2O H1 3 0.423800 1.0079 0 - 12678 H2O 3554 H2O H2 3 0.423800 1.0079 0 - 12679 H2O 3555 H2O O1 4 -0.847600 15.9994 0 - 12680 H2O 3555 H2O H1 3 0.423800 1.0079 0 - 12681 H2O 3555 H2O H2 3 0.423800 1.0079 0 - 12682 H2O 3556 H2O O1 4 -0.847600 15.9994 0 - 12683 H2O 3556 H2O H1 3 0.423800 1.0079 0 - 12684 H2O 3556 H2O H2 3 0.423800 1.0079 0 - 12685 H2O 3557 H2O O1 4 -0.847600 15.9994 0 - 12686 H2O 3557 H2O H1 3 0.423800 1.0079 0 - 12687 H2O 3557 H2O H2 3 0.423800 1.0079 0 - 12688 H2O 3558 H2O O1 4 -0.847600 15.9994 0 - 12689 H2O 3558 H2O H1 3 0.423800 1.0079 0 - 12690 H2O 3558 H2O H2 3 0.423800 1.0079 0 - 12691 H2O 3559 H2O O1 4 -0.847600 15.9994 0 - 12692 H2O 3559 H2O H1 3 0.423800 1.0079 0 - 12693 H2O 3559 H2O H2 3 0.423800 1.0079 0 - 12694 H2O 3560 H2O O1 4 -0.847600 15.9994 0 - 12695 H2O 3560 H2O H1 3 0.423800 1.0079 0 - 12696 H2O 3560 H2O H2 3 0.423800 1.0079 0 - 12697 H2O 3561 H2O O1 4 -0.847600 15.9994 0 - 12698 H2O 3561 H2O H1 3 0.423800 1.0079 0 - 12699 H2O 3561 H2O H2 3 0.423800 1.0079 0 - 12700 H2O 3562 H2O O1 4 -0.847600 15.9994 0 - 12701 H2O 3562 H2O H1 3 0.423800 1.0079 0 - 12702 H2O 3562 H2O H2 3 0.423800 1.0079 0 - 12703 H2O 3563 H2O O1 4 -0.847600 15.9994 0 - 12704 H2O 3563 H2O H1 3 0.423800 1.0079 0 - 12705 H2O 3563 H2O H2 3 0.423800 1.0079 0 - 12706 H2O 3564 H2O O1 4 -0.847600 15.9994 0 - 12707 H2O 3564 H2O H1 3 0.423800 1.0079 0 - 12708 H2O 3564 H2O H2 3 0.423800 1.0079 0 - 12709 H2O 3565 H2O O1 4 -0.847600 15.9994 0 - 12710 H2O 3565 H2O H1 3 0.423800 1.0079 0 - 12711 H2O 3565 H2O H2 3 0.423800 1.0079 0 - 12712 H2O 3566 H2O O1 4 -0.847600 15.9994 0 - 12713 H2O 3566 H2O H1 3 0.423800 1.0079 0 - 12714 H2O 3566 H2O H2 3 0.423800 1.0079 0 - 12715 H2O 3567 H2O O1 4 -0.847600 15.9994 0 - 12716 H2O 3567 H2O H1 3 0.423800 1.0079 0 - 12717 H2O 3567 H2O H2 3 0.423800 1.0079 0 - 12718 H2O 3568 H2O O1 4 -0.847600 15.9994 0 - 12719 H2O 3568 H2O H1 3 0.423800 1.0079 0 - 12720 H2O 3568 H2O H2 3 0.423800 1.0079 0 - 12721 H2O 3569 H2O O1 4 -0.847600 15.9994 0 - 12722 H2O 3569 H2O H1 3 0.423800 1.0079 0 - 12723 H2O 3569 H2O H2 3 0.423800 1.0079 0 - 12724 H2O 3570 H2O O1 4 -0.847600 15.9994 0 - 12725 H2O 3570 H2O H1 3 0.423800 1.0079 0 - 12726 H2O 3570 H2O H2 3 0.423800 1.0079 0 - 12727 H2O 3571 H2O O1 4 -0.847600 15.9994 0 - 12728 H2O 3571 H2O H1 3 0.423800 1.0079 0 - 12729 H2O 3571 H2O H2 3 0.423800 1.0079 0 - 12730 H2O 3572 H2O O1 4 -0.847600 15.9994 0 - 12731 H2O 3572 H2O H1 3 0.423800 1.0079 0 - 12732 H2O 3572 H2O H2 3 0.423800 1.0079 0 - 12733 H2O 3573 H2O O1 4 -0.847600 15.9994 0 - 12734 H2O 3573 H2O H1 3 0.423800 1.0079 0 - 12735 H2O 3573 H2O H2 3 0.423800 1.0079 0 - 12736 H2O 3574 H2O O1 4 -0.847600 15.9994 0 - 12737 H2O 3574 H2O H1 3 0.423800 1.0079 0 - 12738 H2O 3574 H2O H2 3 0.423800 1.0079 0 - 12739 H2O 3575 H2O O1 4 -0.847600 15.9994 0 - 12740 H2O 3575 H2O H1 3 0.423800 1.0079 0 - 12741 H2O 3575 H2O H2 3 0.423800 1.0079 0 - 12742 H2O 3576 H2O O1 4 -0.847600 15.9994 0 - 12743 H2O 3576 H2O H1 3 0.423800 1.0079 0 - 12744 H2O 3576 H2O H2 3 0.423800 1.0079 0 - 12745 H2O 3577 H2O O1 4 -0.847600 15.9994 0 - 12746 H2O 3577 H2O H1 3 0.423800 1.0079 0 - 12747 H2O 3577 H2O H2 3 0.423800 1.0079 0 - 12748 H2O 3578 H2O O1 4 -0.847600 15.9994 0 - 12749 H2O 3578 H2O H1 3 0.423800 1.0079 0 - 12750 H2O 3578 H2O H2 3 0.423800 1.0079 0 - 12751 H2O 3579 H2O O1 4 -0.847600 15.9994 0 - 12752 H2O 3579 H2O H1 3 0.423800 1.0079 0 - 12753 H2O 3579 H2O H2 3 0.423800 1.0079 0 - 12754 H2O 3580 H2O O1 4 -0.847600 15.9994 0 - 12755 H2O 3580 H2O H1 3 0.423800 1.0079 0 - 12756 H2O 3580 H2O H2 3 0.423800 1.0079 0 - 12757 H2O 3581 H2O O1 4 -0.847600 15.9994 0 - 12758 H2O 3581 H2O H1 3 0.423800 1.0079 0 - 12759 H2O 3581 H2O H2 3 0.423800 1.0079 0 - 12760 H2O 3582 H2O O1 4 -0.847600 15.9994 0 - 12761 H2O 3582 H2O H1 3 0.423800 1.0079 0 - 12762 H2O 3582 H2O H2 3 0.423800 1.0079 0 - 12763 H2O 3583 H2O O1 4 -0.847600 15.9994 0 - 12764 H2O 3583 H2O H1 3 0.423800 1.0079 0 - 12765 H2O 3583 H2O H2 3 0.423800 1.0079 0 - 12766 H2O 3584 H2O O1 4 -0.847600 15.9994 0 - 12767 H2O 3584 H2O H1 3 0.423800 1.0079 0 - 12768 H2O 3584 H2O H2 3 0.423800 1.0079 0 - 12769 H2O 3585 H2O O1 4 -0.847600 15.9994 0 - 12770 H2O 3585 H2O H1 3 0.423800 1.0079 0 - 12771 H2O 3585 H2O H2 3 0.423800 1.0079 0 - 12772 H2O 3586 H2O O1 4 -0.847600 15.9994 0 - 12773 H2O 3586 H2O H1 3 0.423800 1.0079 0 - 12774 H2O 3586 H2O H2 3 0.423800 1.0079 0 - 12775 H2O 3587 H2O O1 4 -0.847600 15.9994 0 - 12776 H2O 3587 H2O H1 3 0.423800 1.0079 0 - 12777 H2O 3587 H2O H2 3 0.423800 1.0079 0 - 12778 H2O 3588 H2O O1 4 -0.847600 15.9994 0 - 12779 H2O 3588 H2O H1 3 0.423800 1.0079 0 - 12780 H2O 3588 H2O H2 3 0.423800 1.0079 0 - 12781 H2O 3589 H2O O1 4 -0.847600 15.9994 0 - 12782 H2O 3589 H2O H1 3 0.423800 1.0079 0 - 12783 H2O 3589 H2O H2 3 0.423800 1.0079 0 - 12784 H2O 3590 H2O O1 4 -0.847600 15.9994 0 - 12785 H2O 3590 H2O H1 3 0.423800 1.0079 0 - 12786 H2O 3590 H2O H2 3 0.423800 1.0079 0 - 12787 H2O 3591 H2O O1 4 -0.847600 15.9994 0 - 12788 H2O 3591 H2O H1 3 0.423800 1.0079 0 - 12789 H2O 3591 H2O H2 3 0.423800 1.0079 0 - 12790 H2O 3592 H2O O1 4 -0.847600 15.9994 0 - 12791 H2O 3592 H2O H1 3 0.423800 1.0079 0 - 12792 H2O 3592 H2O H2 3 0.423800 1.0079 0 - 12793 H2O 3593 H2O O1 4 -0.847600 15.9994 0 - 12794 H2O 3593 H2O H1 3 0.423800 1.0079 0 - 12795 H2O 3593 H2O H2 3 0.423800 1.0079 0 - 12796 H2O 3594 H2O O1 4 -0.847600 15.9994 0 - 12797 H2O 3594 H2O H1 3 0.423800 1.0079 0 - 12798 H2O 3594 H2O H2 3 0.423800 1.0079 0 - 12799 H2O 3595 H2O O1 4 -0.847600 15.9994 0 - 12800 H2O 3595 H2O H1 3 0.423800 1.0079 0 - 12801 H2O 3595 H2O H2 3 0.423800 1.0079 0 - 12802 H2O 3596 H2O O1 4 -0.847600 15.9994 0 - 12803 H2O 3596 H2O H1 3 0.423800 1.0079 0 - 12804 H2O 3596 H2O H2 3 0.423800 1.0079 0 - 12805 H2O 3597 H2O O1 4 -0.847600 15.9994 0 - 12806 H2O 3597 H2O H1 3 0.423800 1.0079 0 - 12807 H2O 3597 H2O H2 3 0.423800 1.0079 0 - 12808 H2O 3598 H2O O1 4 -0.847600 15.9994 0 - 12809 H2O 3598 H2O H1 3 0.423800 1.0079 0 - 12810 H2O 3598 H2O H2 3 0.423800 1.0079 0 - 12811 H2O 3599 H2O O1 4 -0.847600 15.9994 0 - 12812 H2O 3599 H2O H1 3 0.423800 1.0079 0 - 12813 H2O 3599 H2O H2 3 0.423800 1.0079 0 - 12814 H2O 3600 H2O O1 4 -0.847600 15.9994 0 - 12815 H2O 3600 H2O H1 3 0.423800 1.0079 0 - 12816 H2O 3600 H2O H2 3 0.423800 1.0079 0 - 12817 H2O 3601 H2O O1 4 -0.847600 15.9994 0 - 12818 H2O 3601 H2O H1 3 0.423800 1.0079 0 - 12819 H2O 3601 H2O H2 3 0.423800 1.0079 0 - 12820 H2O 3602 H2O O1 4 -0.847600 15.9994 0 - 12821 H2O 3602 H2O H1 3 0.423800 1.0079 0 - 12822 H2O 3602 H2O H2 3 0.423800 1.0079 0 - 12823 H2O 3603 H2O O1 4 -0.847600 15.9994 0 - 12824 H2O 3603 H2O H1 3 0.423800 1.0079 0 - 12825 H2O 3603 H2O H2 3 0.423800 1.0079 0 - 12826 H2O 3604 H2O O1 4 -0.847600 15.9994 0 - 12827 H2O 3604 H2O H1 3 0.423800 1.0079 0 - 12828 H2O 3604 H2O H2 3 0.423800 1.0079 0 - 12829 H2O 3605 H2O O1 4 -0.847600 15.9994 0 - 12830 H2O 3605 H2O H1 3 0.423800 1.0079 0 - 12831 H2O 3605 H2O H2 3 0.423800 1.0079 0 - 12832 H2O 3606 H2O O1 4 -0.847600 15.9994 0 - 12833 H2O 3606 H2O H1 3 0.423800 1.0079 0 - 12834 H2O 3606 H2O H2 3 0.423800 1.0079 0 - 12835 H2O 3607 H2O O1 4 -0.847600 15.9994 0 - 12836 H2O 3607 H2O H1 3 0.423800 1.0079 0 - 12837 H2O 3607 H2O H2 3 0.423800 1.0079 0 - 12838 H2O 3608 H2O O1 4 -0.847600 15.9994 0 - 12839 H2O 3608 H2O H1 3 0.423800 1.0079 0 - 12840 H2O 3608 H2O H2 3 0.423800 1.0079 0 - 12841 H2O 3609 H2O O1 4 -0.847600 15.9994 0 - 12842 H2O 3609 H2O H1 3 0.423800 1.0079 0 - 12843 H2O 3609 H2O H2 3 0.423800 1.0079 0 - 12844 H2O 3610 H2O O1 4 -0.847600 15.9994 0 - 12845 H2O 3610 H2O H1 3 0.423800 1.0079 0 - 12846 H2O 3610 H2O H2 3 0.423800 1.0079 0 - 12847 H2O 3611 H2O O1 4 -0.847600 15.9994 0 - 12848 H2O 3611 H2O H1 3 0.423800 1.0079 0 - 12849 H2O 3611 H2O H2 3 0.423800 1.0079 0 - 12850 H2O 3612 H2O O1 4 -0.847600 15.9994 0 - 12851 H2O 3612 H2O H1 3 0.423800 1.0079 0 - 12852 H2O 3612 H2O H2 3 0.423800 1.0079 0 - 12853 H2O 3613 H2O O1 4 -0.847600 15.9994 0 - 12854 H2O 3613 H2O H1 3 0.423800 1.0079 0 - 12855 H2O 3613 H2O H2 3 0.423800 1.0079 0 - 12856 H2O 3614 H2O O1 4 -0.847600 15.9994 0 - 12857 H2O 3614 H2O H1 3 0.423800 1.0079 0 - 12858 H2O 3614 H2O H2 3 0.423800 1.0079 0 - 12859 H2O 3615 H2O O1 4 -0.847600 15.9994 0 - 12860 H2O 3615 H2O H1 3 0.423800 1.0079 0 - 12861 H2O 3615 H2O H2 3 0.423800 1.0079 0 - 12862 H2O 3616 H2O O1 4 -0.847600 15.9994 0 - 12863 H2O 3616 H2O H1 3 0.423800 1.0079 0 - 12864 H2O 3616 H2O H2 3 0.423800 1.0079 0 - 12865 H2O 3617 H2O O1 4 -0.847600 15.9994 0 - 12866 H2O 3617 H2O H1 3 0.423800 1.0079 0 - 12867 H2O 3617 H2O H2 3 0.423800 1.0079 0 - 12868 H2O 3618 H2O O1 4 -0.847600 15.9994 0 - 12869 H2O 3618 H2O H1 3 0.423800 1.0079 0 - 12870 H2O 3618 H2O H2 3 0.423800 1.0079 0 - 12871 H2O 3619 H2O O1 4 -0.847600 15.9994 0 - 12872 H2O 3619 H2O H1 3 0.423800 1.0079 0 - 12873 H2O 3619 H2O H2 3 0.423800 1.0079 0 - 12874 H2O 3620 H2O O1 4 -0.847600 15.9994 0 - 12875 H2O 3620 H2O H1 3 0.423800 1.0079 0 - 12876 H2O 3620 H2O H2 3 0.423800 1.0079 0 - 12877 H2O 3621 H2O O1 4 -0.847600 15.9994 0 - 12878 H2O 3621 H2O H1 3 0.423800 1.0079 0 - 12879 H2O 3621 H2O H2 3 0.423800 1.0079 0 - 12880 H2O 3622 H2O O1 4 -0.847600 15.9994 0 - 12881 H2O 3622 H2O H1 3 0.423800 1.0079 0 - 12882 H2O 3622 H2O H2 3 0.423800 1.0079 0 - 12883 H2O 3623 H2O O1 4 -0.847600 15.9994 0 - 12884 H2O 3623 H2O H1 3 0.423800 1.0079 0 - 12885 H2O 3623 H2O H2 3 0.423800 1.0079 0 - 12886 H2O 3624 H2O O1 4 -0.847600 15.9994 0 - 12887 H2O 3624 H2O H1 3 0.423800 1.0079 0 - 12888 H2O 3624 H2O H2 3 0.423800 1.0079 0 - 12889 H2O 3625 H2O O1 4 -0.847600 15.9994 0 - 12890 H2O 3625 H2O H1 3 0.423800 1.0079 0 - 12891 H2O 3625 H2O H2 3 0.423800 1.0079 0 - 12892 H2O 3626 H2O O1 4 -0.847600 15.9994 0 - 12893 H2O 3626 H2O H1 3 0.423800 1.0079 0 - 12894 H2O 3626 H2O H2 3 0.423800 1.0079 0 - 12895 H2O 3627 H2O O1 4 -0.847600 15.9994 0 - 12896 H2O 3627 H2O H1 3 0.423800 1.0079 0 - 12897 H2O 3627 H2O H2 3 0.423800 1.0079 0 - 12898 H2O 3628 H2O O1 4 -0.847600 15.9994 0 - 12899 H2O 3628 H2O H1 3 0.423800 1.0079 0 - 12900 H2O 3628 H2O H2 3 0.423800 1.0079 0 - 12901 H2O 3629 H2O O1 4 -0.847600 15.9994 0 - 12902 H2O 3629 H2O H1 3 0.423800 1.0079 0 - 12903 H2O 3629 H2O H2 3 0.423800 1.0079 0 - 12904 H2O 3630 H2O O1 4 -0.847600 15.9994 0 - 12905 H2O 3630 H2O H1 3 0.423800 1.0079 0 - 12906 H2O 3630 H2O H2 3 0.423800 1.0079 0 - 12907 H2O 3631 H2O O1 4 -0.847600 15.9994 0 - 12908 H2O 3631 H2O H1 3 0.423800 1.0079 0 - 12909 H2O 3631 H2O H2 3 0.423800 1.0079 0 - 12910 H2O 3632 H2O O1 4 -0.847600 15.9994 0 - 12911 H2O 3632 H2O H1 3 0.423800 1.0079 0 - 12912 H2O 3632 H2O H2 3 0.423800 1.0079 0 - 12913 H2O 3633 H2O O1 4 -0.847600 15.9994 0 - 12914 H2O 3633 H2O H1 3 0.423800 1.0079 0 - 12915 H2O 3633 H2O H2 3 0.423800 1.0079 0 - 12916 H2O 3634 H2O O1 4 -0.847600 15.9994 0 - 12917 H2O 3634 H2O H1 3 0.423800 1.0079 0 - 12918 H2O 3634 H2O H2 3 0.423800 1.0079 0 - 12919 H2O 3635 H2O O1 4 -0.847600 15.9994 0 - 12920 H2O 3635 H2O H1 3 0.423800 1.0079 0 - 12921 H2O 3635 H2O H2 3 0.423800 1.0079 0 - 12922 H2O 3636 H2O O1 4 -0.847600 15.9994 0 - 12923 H2O 3636 H2O H1 3 0.423800 1.0079 0 - 12924 H2O 3636 H2O H2 3 0.423800 1.0079 0 - 12925 H2O 3637 H2O O1 4 -0.847600 15.9994 0 - 12926 H2O 3637 H2O H1 3 0.423800 1.0079 0 - 12927 H2O 3637 H2O H2 3 0.423800 1.0079 0 - 12928 H2O 3638 H2O O1 4 -0.847600 15.9994 0 - 12929 H2O 3638 H2O H1 3 0.423800 1.0079 0 - 12930 H2O 3638 H2O H2 3 0.423800 1.0079 0 - 12931 H2O 3639 H2O O1 4 -0.847600 15.9994 0 - 12932 H2O 3639 H2O H1 3 0.423800 1.0079 0 - 12933 H2O 3639 H2O H2 3 0.423800 1.0079 0 - 12934 H2O 3640 H2O O1 4 -0.847600 15.9994 0 - 12935 H2O 3640 H2O H1 3 0.423800 1.0079 0 - 12936 H2O 3640 H2O H2 3 0.423800 1.0079 0 - 12937 H2O 3641 H2O O1 4 -0.847600 15.9994 0 - 12938 H2O 3641 H2O H1 3 0.423800 1.0079 0 - 12939 H2O 3641 H2O H2 3 0.423800 1.0079 0 - 12940 H2O 3642 H2O O1 4 -0.847600 15.9994 0 - 12941 H2O 3642 H2O H1 3 0.423800 1.0079 0 - 12942 H2O 3642 H2O H2 3 0.423800 1.0079 0 - 12943 H2O 3643 H2O O1 4 -0.847600 15.9994 0 - 12944 H2O 3643 H2O H1 3 0.423800 1.0079 0 - 12945 H2O 3643 H2O H2 3 0.423800 1.0079 0 - 12946 H2O 3644 H2O O1 4 -0.847600 15.9994 0 - 12947 H2O 3644 H2O H1 3 0.423800 1.0079 0 - 12948 H2O 3644 H2O H2 3 0.423800 1.0079 0 - 12949 H2O 3645 H2O O1 4 -0.847600 15.9994 0 - 12950 H2O 3645 H2O H1 3 0.423800 1.0079 0 - 12951 H2O 3645 H2O H2 3 0.423800 1.0079 0 - 12952 H2O 3646 H2O O1 4 -0.847600 15.9994 0 - 12953 H2O 3646 H2O H1 3 0.423800 1.0079 0 - 12954 H2O 3646 H2O H2 3 0.423800 1.0079 0 - 12955 H2O 3647 H2O O1 4 -0.847600 15.9994 0 - 12956 H2O 3647 H2O H1 3 0.423800 1.0079 0 - 12957 H2O 3647 H2O H2 3 0.423800 1.0079 0 - 12958 H2O 3648 H2O O1 4 -0.847600 15.9994 0 - 12959 H2O 3648 H2O H1 3 0.423800 1.0079 0 - 12960 H2O 3648 H2O H2 3 0.423800 1.0079 0 - 12961 H2O 3649 H2O O1 4 -0.847600 15.9994 0 - 12962 H2O 3649 H2O H1 3 0.423800 1.0079 0 - 12963 H2O 3649 H2O H2 3 0.423800 1.0079 0 - 12964 H2O 3650 H2O O1 4 -0.847600 15.9994 0 - 12965 H2O 3650 H2O H1 3 0.423800 1.0079 0 - 12966 H2O 3650 H2O H2 3 0.423800 1.0079 0 - 12967 H2O 3651 H2O O1 4 -0.847600 15.9994 0 - 12968 H2O 3651 H2O H1 3 0.423800 1.0079 0 - 12969 H2O 3651 H2O H2 3 0.423800 1.0079 0 - 12970 H2O 3652 H2O O1 4 -0.847600 15.9994 0 - 12971 H2O 3652 H2O H1 3 0.423800 1.0079 0 - 12972 H2O 3652 H2O H2 3 0.423800 1.0079 0 - 12973 H2O 3653 H2O O1 4 -0.847600 15.9994 0 - 12974 H2O 3653 H2O H1 3 0.423800 1.0079 0 - 12975 H2O 3653 H2O H2 3 0.423800 1.0079 0 - 12976 H2O 3654 H2O O1 4 -0.847600 15.9994 0 - 12977 H2O 3654 H2O H1 3 0.423800 1.0079 0 - 12978 H2O 3654 H2O H2 3 0.423800 1.0079 0 - 12979 H2O 3655 H2O O1 4 -0.847600 15.9994 0 - 12980 H2O 3655 H2O H1 3 0.423800 1.0079 0 - 12981 H2O 3655 H2O H2 3 0.423800 1.0079 0 - 12982 H2O 3656 H2O O1 4 -0.847600 15.9994 0 - 12983 H2O 3656 H2O H1 3 0.423800 1.0079 0 - 12984 H2O 3656 H2O H2 3 0.423800 1.0079 0 - 12985 H2O 3657 H2O O1 4 -0.847600 15.9994 0 - 12986 H2O 3657 H2O H1 3 0.423800 1.0079 0 - 12987 H2O 3657 H2O H2 3 0.423800 1.0079 0 - 12988 H2O 3658 H2O O1 4 -0.847600 15.9994 0 - 12989 H2O 3658 H2O H1 3 0.423800 1.0079 0 - 12990 H2O 3658 H2O H2 3 0.423800 1.0079 0 - 12991 H2O 3659 H2O O1 4 -0.847600 15.9994 0 - 12992 H2O 3659 H2O H1 3 0.423800 1.0079 0 - 12993 H2O 3659 H2O H2 3 0.423800 1.0079 0 - 12994 H2O 3660 H2O O1 4 -0.847600 15.9994 0 - 12995 H2O 3660 H2O H1 3 0.423800 1.0079 0 - 12996 H2O 3660 H2O H2 3 0.423800 1.0079 0 - 12997 H2O 3661 H2O O1 4 -0.847600 15.9994 0 - 12998 H2O 3661 H2O H1 3 0.423800 1.0079 0 - 12999 H2O 3661 H2O H2 3 0.423800 1.0079 0 - 13000 H2O 3662 H2O O1 4 -0.847600 15.9994 0 - 13001 H2O 3662 H2O H1 3 0.423800 1.0079 0 - 13002 H2O 3662 H2O H2 3 0.423800 1.0079 0 - 13003 H2O 3663 H2O O1 4 -0.847600 15.9994 0 - 13004 H2O 3663 H2O H1 3 0.423800 1.0079 0 - 13005 H2O 3663 H2O H2 3 0.423800 1.0079 0 - 13006 H2O 3664 H2O O1 4 -0.847600 15.9994 0 - 13007 H2O 3664 H2O H1 3 0.423800 1.0079 0 - 13008 H2O 3664 H2O H2 3 0.423800 1.0079 0 - 13009 H2O 3665 H2O O1 4 -0.847600 15.9994 0 - 13010 H2O 3665 H2O H1 3 0.423800 1.0079 0 - 13011 H2O 3665 H2O H2 3 0.423800 1.0079 0 - 13012 H2O 3666 H2O O1 4 -0.847600 15.9994 0 - 13013 H2O 3666 H2O H1 3 0.423800 1.0079 0 - 13014 H2O 3666 H2O H2 3 0.423800 1.0079 0 - 13015 H2O 3667 H2O O1 4 -0.847600 15.9994 0 - 13016 H2O 3667 H2O H1 3 0.423800 1.0079 0 - 13017 H2O 3667 H2O H2 3 0.423800 1.0079 0 - 13018 H2O 3668 H2O O1 4 -0.847600 15.9994 0 - 13019 H2O 3668 H2O H1 3 0.423800 1.0079 0 - 13020 H2O 3668 H2O H2 3 0.423800 1.0079 0 - 13021 H2O 3669 H2O O1 4 -0.847600 15.9994 0 - 13022 H2O 3669 H2O H1 3 0.423800 1.0079 0 - 13023 H2O 3669 H2O H2 3 0.423800 1.0079 0 - 13024 H2O 3670 H2O O1 4 -0.847600 15.9994 0 - 13025 H2O 3670 H2O H1 3 0.423800 1.0079 0 - 13026 H2O 3670 H2O H2 3 0.423800 1.0079 0 - 13027 H2O 3671 H2O O1 4 -0.847600 15.9994 0 - 13028 H2O 3671 H2O H1 3 0.423800 1.0079 0 - 13029 H2O 3671 H2O H2 3 0.423800 1.0079 0 - 13030 H2O 3672 H2O O1 4 -0.847600 15.9994 0 - 13031 H2O 3672 H2O H1 3 0.423800 1.0079 0 - 13032 H2O 3672 H2O H2 3 0.423800 1.0079 0 - 13033 H2O 3673 H2O O1 4 -0.847600 15.9994 0 - 13034 H2O 3673 H2O H1 3 0.423800 1.0079 0 - 13035 H2O 3673 H2O H2 3 0.423800 1.0079 0 - 13036 H2O 3674 H2O O1 4 -0.847600 15.9994 0 - 13037 H2O 3674 H2O H1 3 0.423800 1.0079 0 - 13038 H2O 3674 H2O H2 3 0.423800 1.0079 0 - 13039 H2O 3675 H2O O1 4 -0.847600 15.9994 0 - 13040 H2O 3675 H2O H1 3 0.423800 1.0079 0 - 13041 H2O 3675 H2O H2 3 0.423800 1.0079 0 - 13042 H2O 3676 H2O O1 4 -0.847600 15.9994 0 - 13043 H2O 3676 H2O H1 3 0.423800 1.0079 0 - 13044 H2O 3676 H2O H2 3 0.423800 1.0079 0 - 13045 H2O 3677 H2O O1 4 -0.847600 15.9994 0 - 13046 H2O 3677 H2O H1 3 0.423800 1.0079 0 - 13047 H2O 3677 H2O H2 3 0.423800 1.0079 0 - 13048 H2O 3678 H2O O1 4 -0.847600 15.9994 0 - 13049 H2O 3678 H2O H1 3 0.423800 1.0079 0 - 13050 H2O 3678 H2O H2 3 0.423800 1.0079 0 - 13051 H2O 3679 H2O O1 4 -0.847600 15.9994 0 - 13052 H2O 3679 H2O H1 3 0.423800 1.0079 0 - 13053 H2O 3679 H2O H2 3 0.423800 1.0079 0 - 13054 H2O 3680 H2O O1 4 -0.847600 15.9994 0 - 13055 H2O 3680 H2O H1 3 0.423800 1.0079 0 - 13056 H2O 3680 H2O H2 3 0.423800 1.0079 0 - 13057 H2O 3681 H2O O1 4 -0.847600 15.9994 0 - 13058 H2O 3681 H2O H1 3 0.423800 1.0079 0 - 13059 H2O 3681 H2O H2 3 0.423800 1.0079 0 - 13060 H2O 3682 H2O O1 4 -0.847600 15.9994 0 - 13061 H2O 3682 H2O H1 3 0.423800 1.0079 0 - 13062 H2O 3682 H2O H2 3 0.423800 1.0079 0 - 13063 H2O 3683 H2O O1 4 -0.847600 15.9994 0 - 13064 H2O 3683 H2O H1 3 0.423800 1.0079 0 - 13065 H2O 3683 H2O H2 3 0.423800 1.0079 0 - 13066 H2O 3684 H2O O1 4 -0.847600 15.9994 0 - 13067 H2O 3684 H2O H1 3 0.423800 1.0079 0 - 13068 H2O 3684 H2O H2 3 0.423800 1.0079 0 - 13069 H2O 3685 H2O O1 4 -0.847600 15.9994 0 - 13070 H2O 3685 H2O H1 3 0.423800 1.0079 0 - 13071 H2O 3685 H2O H2 3 0.423800 1.0079 0 - 13072 H2O 3686 H2O O1 4 -0.847600 15.9994 0 - 13073 H2O 3686 H2O H1 3 0.423800 1.0079 0 - 13074 H2O 3686 H2O H2 3 0.423800 1.0079 0 - 13075 H2O 3687 H2O O1 4 -0.847600 15.9994 0 - 13076 H2O 3687 H2O H1 3 0.423800 1.0079 0 - 13077 H2O 3687 H2O H2 3 0.423800 1.0079 0 - 13078 H2O 3688 H2O O1 4 -0.847600 15.9994 0 - 13079 H2O 3688 H2O H1 3 0.423800 1.0079 0 - 13080 H2O 3688 H2O H2 3 0.423800 1.0079 0 - 13081 H2O 3689 H2O O1 4 -0.847600 15.9994 0 - 13082 H2O 3689 H2O H1 3 0.423800 1.0079 0 - 13083 H2O 3689 H2O H2 3 0.423800 1.0079 0 - 13084 H2O 3690 H2O O1 4 -0.847600 15.9994 0 - 13085 H2O 3690 H2O H1 3 0.423800 1.0079 0 - 13086 H2O 3690 H2O H2 3 0.423800 1.0079 0 - 13087 H2O 3691 H2O O1 4 -0.847600 15.9994 0 - 13088 H2O 3691 H2O H1 3 0.423800 1.0079 0 - 13089 H2O 3691 H2O H2 3 0.423800 1.0079 0 - 13090 H2O 3692 H2O O1 4 -0.847600 15.9994 0 - 13091 H2O 3692 H2O H1 3 0.423800 1.0079 0 - 13092 H2O 3692 H2O H2 3 0.423800 1.0079 0 - 13093 H2O 3693 H2O O1 4 -0.847600 15.9994 0 - 13094 H2O 3693 H2O H1 3 0.423800 1.0079 0 - 13095 H2O 3693 H2O H2 3 0.423800 1.0079 0 - 13096 H2O 3694 H2O O1 4 -0.847600 15.9994 0 - 13097 H2O 3694 H2O H1 3 0.423800 1.0079 0 - 13098 H2O 3694 H2O H2 3 0.423800 1.0079 0 - 13099 H2O 3695 H2O O1 4 -0.847600 15.9994 0 - 13100 H2O 3695 H2O H1 3 0.423800 1.0079 0 - 13101 H2O 3695 H2O H2 3 0.423800 1.0079 0 - 13102 H2O 3696 H2O O1 4 -0.847600 15.9994 0 - 13103 H2O 3696 H2O H1 3 0.423800 1.0079 0 - 13104 H2O 3696 H2O H2 3 0.423800 1.0079 0 - 13105 H2O 3697 H2O O1 4 -0.847600 15.9994 0 - 13106 H2O 3697 H2O H1 3 0.423800 1.0079 0 - 13107 H2O 3697 H2O H2 3 0.423800 1.0079 0 - 13108 H2O 3698 H2O O1 4 -0.847600 15.9994 0 - 13109 H2O 3698 H2O H1 3 0.423800 1.0079 0 - 13110 H2O 3698 H2O H2 3 0.423800 1.0079 0 - 13111 H2O 3699 H2O O1 4 -0.847600 15.9994 0 - 13112 H2O 3699 H2O H1 3 0.423800 1.0079 0 - 13113 H2O 3699 H2O H2 3 0.423800 1.0079 0 - 13114 H2O 3700 H2O O1 4 -0.847600 15.9994 0 - 13115 H2O 3700 H2O H1 3 0.423800 1.0079 0 - 13116 H2O 3700 H2O H2 3 0.423800 1.0079 0 - 13117 H2O 3701 H2O O1 4 -0.847600 15.9994 0 - 13118 H2O 3701 H2O H1 3 0.423800 1.0079 0 - 13119 H2O 3701 H2O H2 3 0.423800 1.0079 0 - 13120 H2O 3702 H2O O1 4 -0.847600 15.9994 0 - 13121 H2O 3702 H2O H1 3 0.423800 1.0079 0 - 13122 H2O 3702 H2O H2 3 0.423800 1.0079 0 - 13123 H2O 3703 H2O O1 4 -0.847600 15.9994 0 - 13124 H2O 3703 H2O H1 3 0.423800 1.0079 0 - 13125 H2O 3703 H2O H2 3 0.423800 1.0079 0 - 13126 H2O 3704 H2O O1 4 -0.847600 15.9994 0 - 13127 H2O 3704 H2O H1 3 0.423800 1.0079 0 - 13128 H2O 3704 H2O H2 3 0.423800 1.0079 0 - 13129 H2O 3705 H2O O1 4 -0.847600 15.9994 0 - 13130 H2O 3705 H2O H1 3 0.423800 1.0079 0 - 13131 H2O 3705 H2O H2 3 0.423800 1.0079 0 - 13132 H2O 3706 H2O O1 4 -0.847600 15.9994 0 - 13133 H2O 3706 H2O H1 3 0.423800 1.0079 0 - 13134 H2O 3706 H2O H2 3 0.423800 1.0079 0 - 13135 H2O 3707 H2O O1 4 -0.847600 15.9994 0 - 13136 H2O 3707 H2O H1 3 0.423800 1.0079 0 - 13137 H2O 3707 H2O H2 3 0.423800 1.0079 0 - 13138 H2O 3708 H2O O1 4 -0.847600 15.9994 0 - 13139 H2O 3708 H2O H1 3 0.423800 1.0079 0 - 13140 H2O 3708 H2O H2 3 0.423800 1.0079 0 - 13141 H2O 3709 H2O O1 4 -0.847600 15.9994 0 - 13142 H2O 3709 H2O H1 3 0.423800 1.0079 0 - 13143 H2O 3709 H2O H2 3 0.423800 1.0079 0 - 13144 H2O 3710 H2O O1 4 -0.847600 15.9994 0 - 13145 H2O 3710 H2O H1 3 0.423800 1.0079 0 - 13146 H2O 3710 H2O H2 3 0.423800 1.0079 0 - 13147 H2O 3711 H2O O1 4 -0.847600 15.9994 0 - 13148 H2O 3711 H2O H1 3 0.423800 1.0079 0 - 13149 H2O 3711 H2O H2 3 0.423800 1.0079 0 - 13150 H2O 3712 H2O O1 4 -0.847600 15.9994 0 - 13151 H2O 3712 H2O H1 3 0.423800 1.0079 0 - 13152 H2O 3712 H2O H2 3 0.423800 1.0079 0 - 13153 H2O 3713 H2O O1 4 -0.847600 15.9994 0 - 13154 H2O 3713 H2O H1 3 0.423800 1.0079 0 - 13155 H2O 3713 H2O H2 3 0.423800 1.0079 0 - 13156 H2O 3714 H2O O1 4 -0.847600 15.9994 0 - 13157 H2O 3714 H2O H1 3 0.423800 1.0079 0 - 13158 H2O 3714 H2O H2 3 0.423800 1.0079 0 - 13159 H2O 3715 H2O O1 4 -0.847600 15.9994 0 - 13160 H2O 3715 H2O H1 3 0.423800 1.0079 0 - 13161 H2O 3715 H2O H2 3 0.423800 1.0079 0 - 13162 H2O 3716 H2O O1 4 -0.847600 15.9994 0 - 13163 H2O 3716 H2O H1 3 0.423800 1.0079 0 - 13164 H2O 3716 H2O H2 3 0.423800 1.0079 0 - 13165 H2O 3717 H2O O1 4 -0.847600 15.9994 0 - 13166 H2O 3717 H2O H1 3 0.423800 1.0079 0 - 13167 H2O 3717 H2O H2 3 0.423800 1.0079 0 - 13168 H2O 3718 H2O O1 4 -0.847600 15.9994 0 - 13169 H2O 3718 H2O H1 3 0.423800 1.0079 0 - 13170 H2O 3718 H2O H2 3 0.423800 1.0079 0 - 13171 H2O 3719 H2O O1 4 -0.847600 15.9994 0 - 13172 H2O 3719 H2O H1 3 0.423800 1.0079 0 - 13173 H2O 3719 H2O H2 3 0.423800 1.0079 0 - 13174 H2O 3720 H2O O1 4 -0.847600 15.9994 0 - 13175 H2O 3720 H2O H1 3 0.423800 1.0079 0 - 13176 H2O 3720 H2O H2 3 0.423800 1.0079 0 - 13177 H2O 3721 H2O O1 4 -0.847600 15.9994 0 - 13178 H2O 3721 H2O H1 3 0.423800 1.0079 0 - 13179 H2O 3721 H2O H2 3 0.423800 1.0079 0 - 13180 H2O 3722 H2O O1 4 -0.847600 15.9994 0 - 13181 H2O 3722 H2O H1 3 0.423800 1.0079 0 - 13182 H2O 3722 H2O H2 3 0.423800 1.0079 0 - 13183 H2O 3723 H2O O1 4 -0.847600 15.9994 0 - 13184 H2O 3723 H2O H1 3 0.423800 1.0079 0 - 13185 H2O 3723 H2O H2 3 0.423800 1.0079 0 - 13186 H2O 3724 H2O O1 4 -0.847600 15.9994 0 - 13187 H2O 3724 H2O H1 3 0.423800 1.0079 0 - 13188 H2O 3724 H2O H2 3 0.423800 1.0079 0 - 13189 H2O 3725 H2O O1 4 -0.847600 15.9994 0 - 13190 H2O 3725 H2O H1 3 0.423800 1.0079 0 - 13191 H2O 3725 H2O H2 3 0.423800 1.0079 0 - 13192 H2O 3726 H2O O1 4 -0.847600 15.9994 0 - 13193 H2O 3726 H2O H1 3 0.423800 1.0079 0 - 13194 H2O 3726 H2O H2 3 0.423800 1.0079 0 - 13195 H2O 3727 H2O O1 4 -0.847600 15.9994 0 - 13196 H2O 3727 H2O H1 3 0.423800 1.0079 0 - 13197 H2O 3727 H2O H2 3 0.423800 1.0079 0 - 13198 H2O 3728 H2O O1 4 -0.847600 15.9994 0 - 13199 H2O 3728 H2O H1 3 0.423800 1.0079 0 - 13200 H2O 3728 H2O H2 3 0.423800 1.0079 0 - 13201 H2O 3729 H2O O1 4 -0.847600 15.9994 0 - 13202 H2O 3729 H2O H1 3 0.423800 1.0079 0 - 13203 H2O 3729 H2O H2 3 0.423800 1.0079 0 - 13204 H2O 3730 H2O O1 4 -0.847600 15.9994 0 - 13205 H2O 3730 H2O H1 3 0.423800 1.0079 0 - 13206 H2O 3730 H2O H2 3 0.423800 1.0079 0 - 13207 H2O 3731 H2O O1 4 -0.847600 15.9994 0 - 13208 H2O 3731 H2O H1 3 0.423800 1.0079 0 - 13209 H2O 3731 H2O H2 3 0.423800 1.0079 0 - 13210 H2O 3732 H2O O1 4 -0.847600 15.9994 0 - 13211 H2O 3732 H2O H1 3 0.423800 1.0079 0 - 13212 H2O 3732 H2O H2 3 0.423800 1.0079 0 - 13213 H2O 3733 H2O O1 4 -0.847600 15.9994 0 - 13214 H2O 3733 H2O H1 3 0.423800 1.0079 0 - 13215 H2O 3733 H2O H2 3 0.423800 1.0079 0 - 13216 H2O 3734 H2O O1 4 -0.847600 15.9994 0 - 13217 H2O 3734 H2O H1 3 0.423800 1.0079 0 - 13218 H2O 3734 H2O H2 3 0.423800 1.0079 0 - 13219 H2O 3735 H2O O1 4 -0.847600 15.9994 0 - 13220 H2O 3735 H2O H1 3 0.423800 1.0079 0 - 13221 H2O 3735 H2O H2 3 0.423800 1.0079 0 - 13222 H2O 3736 H2O O1 4 -0.847600 15.9994 0 - 13223 H2O 3736 H2O H1 3 0.423800 1.0079 0 - 13224 H2O 3736 H2O H2 3 0.423800 1.0079 0 - 13225 H2O 3737 H2O O1 4 -0.847600 15.9994 0 - 13226 H2O 3737 H2O H1 3 0.423800 1.0079 0 - 13227 H2O 3737 H2O H2 3 0.423800 1.0079 0 - 13228 H2O 3738 H2O O1 4 -0.847600 15.9994 0 - 13229 H2O 3738 H2O H1 3 0.423800 1.0079 0 - 13230 H2O 3738 H2O H2 3 0.423800 1.0079 0 - 13231 H2O 3739 H2O O1 4 -0.847600 15.9994 0 - 13232 H2O 3739 H2O H1 3 0.423800 1.0079 0 - 13233 H2O 3739 H2O H2 3 0.423800 1.0079 0 - 13234 H2O 3740 H2O O1 4 -0.847600 15.9994 0 - 13235 H2O 3740 H2O H1 3 0.423800 1.0079 0 - 13236 H2O 3740 H2O H2 3 0.423800 1.0079 0 - 13237 H2O 3741 H2O O1 4 -0.847600 15.9994 0 - 13238 H2O 3741 H2O H1 3 0.423800 1.0079 0 - 13239 H2O 3741 H2O H2 3 0.423800 1.0079 0 - 13240 H2O 3742 H2O O1 4 -0.847600 15.9994 0 - 13241 H2O 3742 H2O H1 3 0.423800 1.0079 0 - 13242 H2O 3742 H2O H2 3 0.423800 1.0079 0 - 13243 H2O 3743 H2O O1 4 -0.847600 15.9994 0 - 13244 H2O 3743 H2O H1 3 0.423800 1.0079 0 - 13245 H2O 3743 H2O H2 3 0.423800 1.0079 0 - 13246 H2O 3744 H2O O1 4 -0.847600 15.9994 0 - 13247 H2O 3744 H2O H1 3 0.423800 1.0079 0 - 13248 H2O 3744 H2O H2 3 0.423800 1.0079 0 - 13249 H2O 3745 H2O O1 4 -0.847600 15.9994 0 - 13250 H2O 3745 H2O H1 3 0.423800 1.0079 0 - 13251 H2O 3745 H2O H2 3 0.423800 1.0079 0 - 13252 H2O 3746 H2O O1 4 -0.847600 15.9994 0 - 13253 H2O 3746 H2O H1 3 0.423800 1.0079 0 - 13254 H2O 3746 H2O H2 3 0.423800 1.0079 0 - 13255 H2O 3747 H2O O1 4 -0.847600 15.9994 0 - 13256 H2O 3747 H2O H1 3 0.423800 1.0079 0 - 13257 H2O 3747 H2O H2 3 0.423800 1.0079 0 - 13258 H2O 3748 H2O O1 4 -0.847600 15.9994 0 - 13259 H2O 3748 H2O H1 3 0.423800 1.0079 0 - 13260 H2O 3748 H2O H2 3 0.423800 1.0079 0 - 13261 H2O 3749 H2O O1 4 -0.847600 15.9994 0 - 13262 H2O 3749 H2O H1 3 0.423800 1.0079 0 - 13263 H2O 3749 H2O H2 3 0.423800 1.0079 0 - 13264 H2O 3750 H2O O1 4 -0.847600 15.9994 0 - 13265 H2O 3750 H2O H1 3 0.423800 1.0079 0 - 13266 H2O 3750 H2O H2 3 0.423800 1.0079 0 - 13267 H2O 3751 H2O O1 4 -0.847600 15.9994 0 - 13268 H2O 3751 H2O H1 3 0.423800 1.0079 0 - 13269 H2O 3751 H2O H2 3 0.423800 1.0079 0 - 13270 H2O 3752 H2O O1 4 -0.847600 15.9994 0 - 13271 H2O 3752 H2O H1 3 0.423800 1.0079 0 - 13272 H2O 3752 H2O H2 3 0.423800 1.0079 0 - 13273 H2O 3753 H2O O1 4 -0.847600 15.9994 0 - 13274 H2O 3753 H2O H1 3 0.423800 1.0079 0 - 13275 H2O 3753 H2O H2 3 0.423800 1.0079 0 - 13276 H2O 3754 H2O O1 4 -0.847600 15.9994 0 - 13277 H2O 3754 H2O H1 3 0.423800 1.0079 0 - 13278 H2O 3754 H2O H2 3 0.423800 1.0079 0 - 13279 H2O 3755 H2O O1 4 -0.847600 15.9994 0 - 13280 H2O 3755 H2O H1 3 0.423800 1.0079 0 - 13281 H2O 3755 H2O H2 3 0.423800 1.0079 0 - 13282 H2O 3756 H2O O1 4 -0.847600 15.9994 0 - 13283 H2O 3756 H2O H1 3 0.423800 1.0079 0 - 13284 H2O 3756 H2O H2 3 0.423800 1.0079 0 - 13285 H2O 3757 H2O O1 4 -0.847600 15.9994 0 - 13286 H2O 3757 H2O H1 3 0.423800 1.0079 0 - 13287 H2O 3757 H2O H2 3 0.423800 1.0079 0 - 13288 H2O 3758 H2O O1 4 -0.847600 15.9994 0 - 13289 H2O 3758 H2O H1 3 0.423800 1.0079 0 - 13290 H2O 3758 H2O H2 3 0.423800 1.0079 0 - 13291 H2O 3759 H2O O1 4 -0.847600 15.9994 0 - 13292 H2O 3759 H2O H1 3 0.423800 1.0079 0 - 13293 H2O 3759 H2O H2 3 0.423800 1.0079 0 - 13294 H2O 3760 H2O O1 4 -0.847600 15.9994 0 - 13295 H2O 3760 H2O H1 3 0.423800 1.0079 0 - 13296 H2O 3760 H2O H2 3 0.423800 1.0079 0 - 13297 H2O 3761 H2O O1 4 -0.847600 15.9994 0 - 13298 H2O 3761 H2O H1 3 0.423800 1.0079 0 - 13299 H2O 3761 H2O H2 3 0.423800 1.0079 0 - 13300 H2O 3762 H2O O1 4 -0.847600 15.9994 0 - 13301 H2O 3762 H2O H1 3 0.423800 1.0079 0 - 13302 H2O 3762 H2O H2 3 0.423800 1.0079 0 - 13303 H2O 3763 H2O O1 4 -0.847600 15.9994 0 - 13304 H2O 3763 H2O H1 3 0.423800 1.0079 0 - 13305 H2O 3763 H2O H2 3 0.423800 1.0079 0 - 13306 H2O 3764 H2O O1 4 -0.847600 15.9994 0 - 13307 H2O 3764 H2O H1 3 0.423800 1.0079 0 - 13308 H2O 3764 H2O H2 3 0.423800 1.0079 0 - 13309 H2O 3765 H2O O1 4 -0.847600 15.9994 0 - 13310 H2O 3765 H2O H1 3 0.423800 1.0079 0 - 13311 H2O 3765 H2O H2 3 0.423800 1.0079 0 - 13312 H2O 3766 H2O O1 4 -0.847600 15.9994 0 - 13313 H2O 3766 H2O H1 3 0.423800 1.0079 0 - 13314 H2O 3766 H2O H2 3 0.423800 1.0079 0 - 13315 H2O 3767 H2O O1 4 -0.847600 15.9994 0 - 13316 H2O 3767 H2O H1 3 0.423800 1.0079 0 - 13317 H2O 3767 H2O H2 3 0.423800 1.0079 0 - 13318 H2O 3768 H2O O1 4 -0.847600 15.9994 0 - 13319 H2O 3768 H2O H1 3 0.423800 1.0079 0 - 13320 H2O 3768 H2O H2 3 0.423800 1.0079 0 - 13321 H2O 3769 H2O O1 4 -0.847600 15.9994 0 - 13322 H2O 3769 H2O H1 3 0.423800 1.0079 0 - 13323 H2O 3769 H2O H2 3 0.423800 1.0079 0 - 13324 H2O 3770 H2O O1 4 -0.847600 15.9994 0 - 13325 H2O 3770 H2O H1 3 0.423800 1.0079 0 - 13326 H2O 3770 H2O H2 3 0.423800 1.0079 0 - 13327 H2O 3771 H2O O1 4 -0.847600 15.9994 0 - 13328 H2O 3771 H2O H1 3 0.423800 1.0079 0 - 13329 H2O 3771 H2O H2 3 0.423800 1.0079 0 - 13330 H2O 3772 H2O O1 4 -0.847600 15.9994 0 - 13331 H2O 3772 H2O H1 3 0.423800 1.0079 0 - 13332 H2O 3772 H2O H2 3 0.423800 1.0079 0 - 13333 H2O 3773 H2O O1 4 -0.847600 15.9994 0 - 13334 H2O 3773 H2O H1 3 0.423800 1.0079 0 - 13335 H2O 3773 H2O H2 3 0.423800 1.0079 0 - 13336 H2O 3774 H2O O1 4 -0.847600 15.9994 0 - 13337 H2O 3774 H2O H1 3 0.423800 1.0079 0 - 13338 H2O 3774 H2O H2 3 0.423800 1.0079 0 - 13339 H2O 3775 H2O O1 4 -0.847600 15.9994 0 - 13340 H2O 3775 H2O H1 3 0.423800 1.0079 0 - 13341 H2O 3775 H2O H2 3 0.423800 1.0079 0 - 13342 H2O 3776 H2O O1 4 -0.847600 15.9994 0 - 13343 H2O 3776 H2O H1 3 0.423800 1.0079 0 - 13344 H2O 3776 H2O H2 3 0.423800 1.0079 0 - 13345 H2O 3777 H2O O1 4 -0.847600 15.9994 0 - 13346 H2O 3777 H2O H1 3 0.423800 1.0079 0 - 13347 H2O 3777 H2O H2 3 0.423800 1.0079 0 - 13348 H2O 3778 H2O O1 4 -0.847600 15.9994 0 - 13349 H2O 3778 H2O H1 3 0.423800 1.0079 0 - 13350 H2O 3778 H2O H2 3 0.423800 1.0079 0 - 13351 H2O 3779 H2O O1 4 -0.847600 15.9994 0 - 13352 H2O 3779 H2O H1 3 0.423800 1.0079 0 - 13353 H2O 3779 H2O H2 3 0.423800 1.0079 0 - 13354 H2O 3780 H2O O1 4 -0.847600 15.9994 0 - 13355 H2O 3780 H2O H1 3 0.423800 1.0079 0 - 13356 H2O 3780 H2O H2 3 0.423800 1.0079 0 - 13357 H2O 3781 H2O O1 4 -0.847600 15.9994 0 - 13358 H2O 3781 H2O H1 3 0.423800 1.0079 0 - 13359 H2O 3781 H2O H2 3 0.423800 1.0079 0 - 13360 H2O 3782 H2O O1 4 -0.847600 15.9994 0 - 13361 H2O 3782 H2O H1 3 0.423800 1.0079 0 - 13362 H2O 3782 H2O H2 3 0.423800 1.0079 0 - 13363 H2O 3783 H2O O1 4 -0.847600 15.9994 0 - 13364 H2O 3783 H2O H1 3 0.423800 1.0079 0 - 13365 H2O 3783 H2O H2 3 0.423800 1.0079 0 - 13366 H2O 3784 H2O O1 4 -0.847600 15.9994 0 - 13367 H2O 3784 H2O H1 3 0.423800 1.0079 0 - 13368 H2O 3784 H2O H2 3 0.423800 1.0079 0 - 13369 H2O 3785 H2O O1 4 -0.847600 15.9994 0 - 13370 H2O 3785 H2O H1 3 0.423800 1.0079 0 - 13371 H2O 3785 H2O H2 3 0.423800 1.0079 0 - 13372 H2O 3786 H2O O1 4 -0.847600 15.9994 0 - 13373 H2O 3786 H2O H1 3 0.423800 1.0079 0 - 13374 H2O 3786 H2O H2 3 0.423800 1.0079 0 - 13375 H2O 3787 H2O O1 4 -0.847600 15.9994 0 - 13376 H2O 3787 H2O H1 3 0.423800 1.0079 0 - 13377 H2O 3787 H2O H2 3 0.423800 1.0079 0 - 13378 H2O 3788 H2O O1 4 -0.847600 15.9994 0 - 13379 H2O 3788 H2O H1 3 0.423800 1.0079 0 - 13380 H2O 3788 H2O H2 3 0.423800 1.0079 0 - 13381 H2O 3789 H2O O1 4 -0.847600 15.9994 0 - 13382 H2O 3789 H2O H1 3 0.423800 1.0079 0 - 13383 H2O 3789 H2O H2 3 0.423800 1.0079 0 - 13384 H2O 3790 H2O O1 4 -0.847600 15.9994 0 - 13385 H2O 3790 H2O H1 3 0.423800 1.0079 0 - 13386 H2O 3790 H2O H2 3 0.423800 1.0079 0 - 13387 H2O 3791 H2O O1 4 -0.847600 15.9994 0 - 13388 H2O 3791 H2O H1 3 0.423800 1.0079 0 - 13389 H2O 3791 H2O H2 3 0.423800 1.0079 0 - 13390 H2O 3792 H2O O1 4 -0.847600 15.9994 0 - 13391 H2O 3792 H2O H1 3 0.423800 1.0079 0 - 13392 H2O 3792 H2O H2 3 0.423800 1.0079 0 - 13393 H2O 3793 H2O O1 4 -0.847600 15.9994 0 - 13394 H2O 3793 H2O H1 3 0.423800 1.0079 0 - 13395 H2O 3793 H2O H2 3 0.423800 1.0079 0 - 13396 H2O 3794 H2O O1 4 -0.847600 15.9994 0 - 13397 H2O 3794 H2O H1 3 0.423800 1.0079 0 - 13398 H2O 3794 H2O H2 3 0.423800 1.0079 0 - 13399 H2O 3795 H2O O1 4 -0.847600 15.9994 0 - 13400 H2O 3795 H2O H1 3 0.423800 1.0079 0 - 13401 H2O 3795 H2O H2 3 0.423800 1.0079 0 - 13402 H2O 3796 H2O O1 4 -0.847600 15.9994 0 - 13403 H2O 3796 H2O H1 3 0.423800 1.0079 0 - 13404 H2O 3796 H2O H2 3 0.423800 1.0079 0 - 13405 H2O 3797 H2O O1 4 -0.847600 15.9994 0 - 13406 H2O 3797 H2O H1 3 0.423800 1.0079 0 - 13407 H2O 3797 H2O H2 3 0.423800 1.0079 0 - 13408 H2O 3798 H2O O1 4 -0.847600 15.9994 0 - 13409 H2O 3798 H2O H1 3 0.423800 1.0079 0 - 13410 H2O 3798 H2O H2 3 0.423800 1.0079 0 - 13411 H2O 3799 H2O O1 4 -0.847600 15.9994 0 - 13412 H2O 3799 H2O H1 3 0.423800 1.0079 0 - 13413 H2O 3799 H2O H2 3 0.423800 1.0079 0 - 13414 H2O 3800 H2O O1 4 -0.847600 15.9994 0 - 13415 H2O 3800 H2O H1 3 0.423800 1.0079 0 - 13416 H2O 3800 H2O H2 3 0.423800 1.0079 0 - 13417 H2O 3801 H2O O1 4 -0.847600 15.9994 0 - 13418 H2O 3801 H2O H1 3 0.423800 1.0079 0 - 13419 H2O 3801 H2O H2 3 0.423800 1.0079 0 - 13420 H2O 3802 H2O O1 4 -0.847600 15.9994 0 - 13421 H2O 3802 H2O H1 3 0.423800 1.0079 0 - 13422 H2O 3802 H2O H2 3 0.423800 1.0079 0 - 13423 H2O 3803 H2O O1 4 -0.847600 15.9994 0 - 13424 H2O 3803 H2O H1 3 0.423800 1.0079 0 - 13425 H2O 3803 H2O H2 3 0.423800 1.0079 0 - 13426 H2O 3804 H2O O1 4 -0.847600 15.9994 0 - 13427 H2O 3804 H2O H1 3 0.423800 1.0079 0 - 13428 H2O 3804 H2O H2 3 0.423800 1.0079 0 - 13429 H2O 3805 H2O O1 4 -0.847600 15.9994 0 - 13430 H2O 3805 H2O H1 3 0.423800 1.0079 0 - 13431 H2O 3805 H2O H2 3 0.423800 1.0079 0 - 13432 H2O 3806 H2O O1 4 -0.847600 15.9994 0 - 13433 H2O 3806 H2O H1 3 0.423800 1.0079 0 - 13434 H2O 3806 H2O H2 3 0.423800 1.0079 0 - 13435 H2O 3807 H2O O1 4 -0.847600 15.9994 0 - 13436 H2O 3807 H2O H1 3 0.423800 1.0079 0 - 13437 H2O 3807 H2O H2 3 0.423800 1.0079 0 - 13438 H2O 3808 H2O O1 4 -0.847600 15.9994 0 - 13439 H2O 3808 H2O H1 3 0.423800 1.0079 0 - 13440 H2O 3808 H2O H2 3 0.423800 1.0079 0 - 13441 H2O 3809 H2O O1 4 -0.847600 15.9994 0 - 13442 H2O 3809 H2O H1 3 0.423800 1.0079 0 - 13443 H2O 3809 H2O H2 3 0.423800 1.0079 0 - 13444 H2O 3810 H2O O1 4 -0.847600 15.9994 0 - 13445 H2O 3810 H2O H1 3 0.423800 1.0079 0 - 13446 H2O 3810 H2O H2 3 0.423800 1.0079 0 - 13447 H2O 3811 H2O O1 4 -0.847600 15.9994 0 - 13448 H2O 3811 H2O H1 3 0.423800 1.0079 0 - 13449 H2O 3811 H2O H2 3 0.423800 1.0079 0 - 13450 H2O 3812 H2O O1 4 -0.847600 15.9994 0 - 13451 H2O 3812 H2O H1 3 0.423800 1.0079 0 - 13452 H2O 3812 H2O H2 3 0.423800 1.0079 0 - 13453 H2O 3813 H2O O1 4 -0.847600 15.9994 0 - 13454 H2O 3813 H2O H1 3 0.423800 1.0079 0 - 13455 H2O 3813 H2O H2 3 0.423800 1.0079 0 - 13456 H2O 3814 H2O O1 4 -0.847600 15.9994 0 - 13457 H2O 3814 H2O H1 3 0.423800 1.0079 0 - 13458 H2O 3814 H2O H2 3 0.423800 1.0079 0 - 13459 H2O 3815 H2O O1 4 -0.847600 15.9994 0 - 13460 H2O 3815 H2O H1 3 0.423800 1.0079 0 - 13461 H2O 3815 H2O H2 3 0.423800 1.0079 0 - 13462 H2O 3816 H2O O1 4 -0.847600 15.9994 0 - 13463 H2O 3816 H2O H1 3 0.423800 1.0079 0 - 13464 H2O 3816 H2O H2 3 0.423800 1.0079 0 - 13465 H2O 3817 H2O O1 4 -0.847600 15.9994 0 - 13466 H2O 3817 H2O H1 3 0.423800 1.0079 0 - 13467 H2O 3817 H2O H2 3 0.423800 1.0079 0 - 13468 H2O 3818 H2O O1 4 -0.847600 15.9994 0 - 13469 H2O 3818 H2O H1 3 0.423800 1.0079 0 - 13470 H2O 3818 H2O H2 3 0.423800 1.0079 0 - 13471 H2O 3819 H2O O1 4 -0.847600 15.9994 0 - 13472 H2O 3819 H2O H1 3 0.423800 1.0079 0 - 13473 H2O 3819 H2O H2 3 0.423800 1.0079 0 - 13474 H2O 3820 H2O O1 4 -0.847600 15.9994 0 - 13475 H2O 3820 H2O H1 3 0.423800 1.0079 0 - 13476 H2O 3820 H2O H2 3 0.423800 1.0079 0 - 13477 H2O 3821 H2O O1 4 -0.847600 15.9994 0 - 13478 H2O 3821 H2O H1 3 0.423800 1.0079 0 - 13479 H2O 3821 H2O H2 3 0.423800 1.0079 0 - 13480 H2O 3822 H2O O1 4 -0.847600 15.9994 0 - 13481 H2O 3822 H2O H1 3 0.423800 1.0079 0 - 13482 H2O 3822 H2O H2 3 0.423800 1.0079 0 - 13483 H2O 3823 H2O O1 4 -0.847600 15.9994 0 - 13484 H2O 3823 H2O H1 3 0.423800 1.0079 0 - 13485 H2O 3823 H2O H2 3 0.423800 1.0079 0 - 13486 H2O 3824 H2O O1 4 -0.847600 15.9994 0 - 13487 H2O 3824 H2O H1 3 0.423800 1.0079 0 - 13488 H2O 3824 H2O H2 3 0.423800 1.0079 0 - 13489 H2O 3825 H2O O1 4 -0.847600 15.9994 0 - 13490 H2O 3825 H2O H1 3 0.423800 1.0079 0 - 13491 H2O 3825 H2O H2 3 0.423800 1.0079 0 - 13492 H2O 3826 H2O O1 4 -0.847600 15.9994 0 - 13493 H2O 3826 H2O H1 3 0.423800 1.0079 0 - 13494 H2O 3826 H2O H2 3 0.423800 1.0079 0 - 13495 H2O 3827 H2O O1 4 -0.847600 15.9994 0 - 13496 H2O 3827 H2O H1 3 0.423800 1.0079 0 - 13497 H2O 3827 H2O H2 3 0.423800 1.0079 0 - 13498 H2O 3828 H2O O1 4 -0.847600 15.9994 0 - 13499 H2O 3828 H2O H1 3 0.423800 1.0079 0 - 13500 H2O 3828 H2O H2 3 0.423800 1.0079 0 - 13501 H2O 3829 H2O O1 4 -0.847600 15.9994 0 - 13502 H2O 3829 H2O H1 3 0.423800 1.0079 0 - 13503 H2O 3829 H2O H2 3 0.423800 1.0079 0 - 13504 H2O 3830 H2O O1 4 -0.847600 15.9994 0 - 13505 H2O 3830 H2O H1 3 0.423800 1.0079 0 - 13506 H2O 3830 H2O H2 3 0.423800 1.0079 0 - 13507 H2O 3831 H2O O1 4 -0.847600 15.9994 0 - 13508 H2O 3831 H2O H1 3 0.423800 1.0079 0 - 13509 H2O 3831 H2O H2 3 0.423800 1.0079 0 - 13510 H2O 3832 H2O O1 4 -0.847600 15.9994 0 - 13511 H2O 3832 H2O H1 3 0.423800 1.0079 0 - 13512 H2O 3832 H2O H2 3 0.423800 1.0079 0 - 13513 H2O 3833 H2O O1 4 -0.847600 15.9994 0 - 13514 H2O 3833 H2O H1 3 0.423800 1.0079 0 - 13515 H2O 3833 H2O H2 3 0.423800 1.0079 0 - 13516 H2O 3834 H2O O1 4 -0.847600 15.9994 0 - 13517 H2O 3834 H2O H1 3 0.423800 1.0079 0 - 13518 H2O 3834 H2O H2 3 0.423800 1.0079 0 - 13519 H2O 3835 H2O O1 4 -0.847600 15.9994 0 - 13520 H2O 3835 H2O H1 3 0.423800 1.0079 0 - 13521 H2O 3835 H2O H2 3 0.423800 1.0079 0 - 13522 H2O 3836 H2O O1 4 -0.847600 15.9994 0 - 13523 H2O 3836 H2O H1 3 0.423800 1.0079 0 - 13524 H2O 3836 H2O H2 3 0.423800 1.0079 0 - 13525 H2O 3837 H2O O1 4 -0.847600 15.9994 0 - 13526 H2O 3837 H2O H1 3 0.423800 1.0079 0 - 13527 H2O 3837 H2O H2 3 0.423800 1.0079 0 - 13528 H2O 3838 H2O O1 4 -0.847600 15.9994 0 - 13529 H2O 3838 H2O H1 3 0.423800 1.0079 0 - 13530 H2O 3838 H2O H2 3 0.423800 1.0079 0 - 13531 H2O 3839 H2O O1 4 -0.847600 15.9994 0 - 13532 H2O 3839 H2O H1 3 0.423800 1.0079 0 - 13533 H2O 3839 H2O H2 3 0.423800 1.0079 0 - 13534 H2O 3840 H2O O1 4 -0.847600 15.9994 0 - 13535 H2O 3840 H2O H1 3 0.423800 1.0079 0 - 13536 H2O 3840 H2O H2 3 0.423800 1.0079 0 - 13537 H2O 3841 H2O O1 4 -0.847600 15.9994 0 - 13538 H2O 3841 H2O H1 3 0.423800 1.0079 0 - 13539 H2O 3841 H2O H2 3 0.423800 1.0079 0 - 13540 H2O 3842 H2O O1 4 -0.847600 15.9994 0 - 13541 H2O 3842 H2O H1 3 0.423800 1.0079 0 - 13542 H2O 3842 H2O H2 3 0.423800 1.0079 0 - 13543 H2O 3843 H2O O1 4 -0.847600 15.9994 0 - 13544 H2O 3843 H2O H1 3 0.423800 1.0079 0 - 13545 H2O 3843 H2O H2 3 0.423800 1.0079 0 - 13546 H2O 3844 H2O O1 4 -0.847600 15.9994 0 - 13547 H2O 3844 H2O H1 3 0.423800 1.0079 0 - 13548 H2O 3844 H2O H2 3 0.423800 1.0079 0 - 13549 H2O 3845 H2O O1 4 -0.847600 15.9994 0 - 13550 H2O 3845 H2O H1 3 0.423800 1.0079 0 - 13551 H2O 3845 H2O H2 3 0.423800 1.0079 0 - 13552 H2O 3846 H2O O1 4 -0.847600 15.9994 0 - 13553 H2O 3846 H2O H1 3 0.423800 1.0079 0 - 13554 H2O 3846 H2O H2 3 0.423800 1.0079 0 - 13555 H2O 3847 H2O O1 4 -0.847600 15.9994 0 - 13556 H2O 3847 H2O H1 3 0.423800 1.0079 0 - 13557 H2O 3847 H2O H2 3 0.423800 1.0079 0 - 13558 H2O 3848 H2O O1 4 -0.847600 15.9994 0 - 13559 H2O 3848 H2O H1 3 0.423800 1.0079 0 - 13560 H2O 3848 H2O H2 3 0.423800 1.0079 0 - 13561 H2O 3849 H2O O1 4 -0.847600 15.9994 0 - 13562 H2O 3849 H2O H1 3 0.423800 1.0079 0 - 13563 H2O 3849 H2O H2 3 0.423800 1.0079 0 - 13564 H2O 3850 H2O O1 4 -0.847600 15.9994 0 - 13565 H2O 3850 H2O H1 3 0.423800 1.0079 0 - 13566 H2O 3850 H2O H2 3 0.423800 1.0079 0 - 13567 H2O 3851 H2O O1 4 -0.847600 15.9994 0 - 13568 H2O 3851 H2O H1 3 0.423800 1.0079 0 - 13569 H2O 3851 H2O H2 3 0.423800 1.0079 0 - 13570 H2O 3852 H2O O1 4 -0.847600 15.9994 0 - 13571 H2O 3852 H2O H1 3 0.423800 1.0079 0 - 13572 H2O 3852 H2O H2 3 0.423800 1.0079 0 - 13573 H2O 3853 H2O O1 4 -0.847600 15.9994 0 - 13574 H2O 3853 H2O H1 3 0.423800 1.0079 0 - 13575 H2O 3853 H2O H2 3 0.423800 1.0079 0 - 13576 H2O 3854 H2O O1 4 -0.847600 15.9994 0 - 13577 H2O 3854 H2O H1 3 0.423800 1.0079 0 - 13578 H2O 3854 H2O H2 3 0.423800 1.0079 0 - 13579 H2O 3855 H2O O1 4 -0.847600 15.9994 0 - 13580 H2O 3855 H2O H1 3 0.423800 1.0079 0 - 13581 H2O 3855 H2O H2 3 0.423800 1.0079 0 - 13582 H2O 3856 H2O O1 4 -0.847600 15.9994 0 - 13583 H2O 3856 H2O H1 3 0.423800 1.0079 0 - 13584 H2O 3856 H2O H2 3 0.423800 1.0079 0 - 13585 H2O 3857 H2O O1 4 -0.847600 15.9994 0 - 13586 H2O 3857 H2O H1 3 0.423800 1.0079 0 - 13587 H2O 3857 H2O H2 3 0.423800 1.0079 0 - 13588 H2O 3858 H2O O1 4 -0.847600 15.9994 0 - 13589 H2O 3858 H2O H1 3 0.423800 1.0079 0 - 13590 H2O 3858 H2O H2 3 0.423800 1.0079 0 - 13591 H2O 3859 H2O O1 4 -0.847600 15.9994 0 - 13592 H2O 3859 H2O H1 3 0.423800 1.0079 0 - 13593 H2O 3859 H2O H2 3 0.423800 1.0079 0 - 13594 H2O 3860 H2O O1 4 -0.847600 15.9994 0 - 13595 H2O 3860 H2O H1 3 0.423800 1.0079 0 - 13596 H2O 3860 H2O H2 3 0.423800 1.0079 0 - 13597 H2O 3861 H2O O1 4 -0.847600 15.9994 0 - 13598 H2O 3861 H2O H1 3 0.423800 1.0079 0 - 13599 H2O 3861 H2O H2 3 0.423800 1.0079 0 - 13600 H2O 3862 H2O O1 4 -0.847600 15.9994 0 - 13601 H2O 3862 H2O H1 3 0.423800 1.0079 0 - 13602 H2O 3862 H2O H2 3 0.423800 1.0079 0 - 13603 H2O 3863 H2O O1 4 -0.847600 15.9994 0 - 13604 H2O 3863 H2O H1 3 0.423800 1.0079 0 - 13605 H2O 3863 H2O H2 3 0.423800 1.0079 0 - 13606 H2O 3864 H2O O1 4 -0.847600 15.9994 0 - 13607 H2O 3864 H2O H1 3 0.423800 1.0079 0 - 13608 H2O 3864 H2O H2 3 0.423800 1.0079 0 - 13609 H2O 3865 H2O O1 4 -0.847600 15.9994 0 - 13610 H2O 3865 H2O H1 3 0.423800 1.0079 0 - 13611 H2O 3865 H2O H2 3 0.423800 1.0079 0 - 13612 H2O 3866 H2O O1 4 -0.847600 15.9994 0 - 13613 H2O 3866 H2O H1 3 0.423800 1.0079 0 - 13614 H2O 3866 H2O H2 3 0.423800 1.0079 0 - 13615 H2O 3867 H2O O1 4 -0.847600 15.9994 0 - 13616 H2O 3867 H2O H1 3 0.423800 1.0079 0 - 13617 H2O 3867 H2O H2 3 0.423800 1.0079 0 - 13618 H2O 3868 H2O O1 4 -0.847600 15.9994 0 - 13619 H2O 3868 H2O H1 3 0.423800 1.0079 0 - 13620 H2O 3868 H2O H2 3 0.423800 1.0079 0 - 13621 H2O 3869 H2O O1 4 -0.847600 15.9994 0 - 13622 H2O 3869 H2O H1 3 0.423800 1.0079 0 - 13623 H2O 3869 H2O H2 3 0.423800 1.0079 0 - 13624 H2O 3870 H2O O1 4 -0.847600 15.9994 0 - 13625 H2O 3870 H2O H1 3 0.423800 1.0079 0 - 13626 H2O 3870 H2O H2 3 0.423800 1.0079 0 - 13627 H2O 3871 H2O O1 4 -0.847600 15.9994 0 - 13628 H2O 3871 H2O H1 3 0.423800 1.0079 0 - 13629 H2O 3871 H2O H2 3 0.423800 1.0079 0 - 13630 H2O 3872 H2O O1 4 -0.847600 15.9994 0 - 13631 H2O 3872 H2O H1 3 0.423800 1.0079 0 - 13632 H2O 3872 H2O H2 3 0.423800 1.0079 0 - 13633 H2O 3873 H2O O1 4 -0.847600 15.9994 0 - 13634 H2O 3873 H2O H1 3 0.423800 1.0079 0 - 13635 H2O 3873 H2O H2 3 0.423800 1.0079 0 - 13636 H2O 3874 H2O O1 4 -0.847600 15.9994 0 - 13637 H2O 3874 H2O H1 3 0.423800 1.0079 0 - 13638 H2O 3874 H2O H2 3 0.423800 1.0079 0 - 13639 H2O 3875 H2O O1 4 -0.847600 15.9994 0 - 13640 H2O 3875 H2O H1 3 0.423800 1.0079 0 - 13641 H2O 3875 H2O H2 3 0.423800 1.0079 0 - 13642 H2O 3876 H2O O1 4 -0.847600 15.9994 0 - 13643 H2O 3876 H2O H1 3 0.423800 1.0079 0 - 13644 H2O 3876 H2O H2 3 0.423800 1.0079 0 - 13645 H2O 3877 H2O O1 4 -0.847600 15.9994 0 - 13646 H2O 3877 H2O H1 3 0.423800 1.0079 0 - 13647 H2O 3877 H2O H2 3 0.423800 1.0079 0 - 13648 H2O 3878 H2O O1 4 -0.847600 15.9994 0 - 13649 H2O 3878 H2O H1 3 0.423800 1.0079 0 - 13650 H2O 3878 H2O H2 3 0.423800 1.0079 0 - 13651 H2O 3879 H2O O1 4 -0.847600 15.9994 0 - 13652 H2O 3879 H2O H1 3 0.423800 1.0079 0 - 13653 H2O 3879 H2O H2 3 0.423800 1.0079 0 - 13654 H2O 3880 H2O O1 4 -0.847600 15.9994 0 - 13655 H2O 3880 H2O H1 3 0.423800 1.0079 0 - 13656 H2O 3880 H2O H2 3 0.423800 1.0079 0 - 13657 H2O 3881 H2O O1 4 -0.847600 15.9994 0 - 13658 H2O 3881 H2O H1 3 0.423800 1.0079 0 - 13659 H2O 3881 H2O H2 3 0.423800 1.0079 0 - 13660 H2O 3882 H2O O1 4 -0.847600 15.9994 0 - 13661 H2O 3882 H2O H1 3 0.423800 1.0079 0 - 13662 H2O 3882 H2O H2 3 0.423800 1.0079 0 - 13663 H2O 3883 H2O O1 4 -0.847600 15.9994 0 - 13664 H2O 3883 H2O H1 3 0.423800 1.0079 0 - 13665 H2O 3883 H2O H2 3 0.423800 1.0079 0 - 13666 H2O 3884 H2O O1 4 -0.847600 15.9994 0 - 13667 H2O 3884 H2O H1 3 0.423800 1.0079 0 - 13668 H2O 3884 H2O H2 3 0.423800 1.0079 0 - 13669 H2O 3885 H2O O1 4 -0.847600 15.9994 0 - 13670 H2O 3885 H2O H1 3 0.423800 1.0079 0 - 13671 H2O 3885 H2O H2 3 0.423800 1.0079 0 - 13672 H2O 3886 H2O O1 4 -0.847600 15.9994 0 - 13673 H2O 3886 H2O H1 3 0.423800 1.0079 0 - 13674 H2O 3886 H2O H2 3 0.423800 1.0079 0 - 13675 H2O 3887 H2O O1 4 -0.847600 15.9994 0 - 13676 H2O 3887 H2O H1 3 0.423800 1.0079 0 - 13677 H2O 3887 H2O H2 3 0.423800 1.0079 0 - 13678 H2O 3888 H2O O1 4 -0.847600 15.9994 0 - 13679 H2O 3888 H2O H1 3 0.423800 1.0079 0 - 13680 H2O 3888 H2O H2 3 0.423800 1.0079 0 - 13681 H2O 3889 H2O O1 4 -0.847600 15.9994 0 - 13682 H2O 3889 H2O H1 3 0.423800 1.0079 0 - 13683 H2O 3889 H2O H2 3 0.423800 1.0079 0 - 13684 H2O 3890 H2O O1 4 -0.847600 15.9994 0 - 13685 H2O 3890 H2O H1 3 0.423800 1.0079 0 - 13686 H2O 3890 H2O H2 3 0.423800 1.0079 0 - 13687 H2O 3891 H2O O1 4 -0.847600 15.9994 0 - 13688 H2O 3891 H2O H1 3 0.423800 1.0079 0 - 13689 H2O 3891 H2O H2 3 0.423800 1.0079 0 - 13690 H2O 3892 H2O O1 4 -0.847600 15.9994 0 - 13691 H2O 3892 H2O H1 3 0.423800 1.0079 0 - 13692 H2O 3892 H2O H2 3 0.423800 1.0079 0 - 13693 H2O 3893 H2O O1 4 -0.847600 15.9994 0 - 13694 H2O 3893 H2O H1 3 0.423800 1.0079 0 - 13695 H2O 3893 H2O H2 3 0.423800 1.0079 0 - 13696 H2O 3894 H2O O1 4 -0.847600 15.9994 0 - 13697 H2O 3894 H2O H1 3 0.423800 1.0079 0 - 13698 H2O 3894 H2O H2 3 0.423800 1.0079 0 - 13699 H2O 3895 H2O O1 4 -0.847600 15.9994 0 - 13700 H2O 3895 H2O H1 3 0.423800 1.0079 0 - 13701 H2O 3895 H2O H2 3 0.423800 1.0079 0 - 13702 H2O 3896 H2O O1 4 -0.847600 15.9994 0 - 13703 H2O 3896 H2O H1 3 0.423800 1.0079 0 - 13704 H2O 3896 H2O H2 3 0.423800 1.0079 0 - 13705 H2O 3897 H2O O1 4 -0.847600 15.9994 0 - 13706 H2O 3897 H2O H1 3 0.423800 1.0079 0 - 13707 H2O 3897 H2O H2 3 0.423800 1.0079 0 - 13708 H2O 3898 H2O O1 4 -0.847600 15.9994 0 - 13709 H2O 3898 H2O H1 3 0.423800 1.0079 0 - 13710 H2O 3898 H2O H2 3 0.423800 1.0079 0 - 13711 H2O 3899 H2O O1 4 -0.847600 15.9994 0 - 13712 H2O 3899 H2O H1 3 0.423800 1.0079 0 - 13713 H2O 3899 H2O H2 3 0.423800 1.0079 0 - 13714 H2O 3900 H2O O1 4 -0.847600 15.9994 0 - 13715 H2O 3900 H2O H1 3 0.423800 1.0079 0 - 13716 H2O 3900 H2O H2 3 0.423800 1.0079 0 - 13717 H2O 3901 H2O O1 4 -0.847600 15.9994 0 - 13718 H2O 3901 H2O H1 3 0.423800 1.0079 0 - 13719 H2O 3901 H2O H2 3 0.423800 1.0079 0 - 13720 H2O 3902 H2O O1 4 -0.847600 15.9994 0 - 13721 H2O 3902 H2O H1 3 0.423800 1.0079 0 - 13722 H2O 3902 H2O H2 3 0.423800 1.0079 0 - 13723 H2O 3903 H2O O1 4 -0.847600 15.9994 0 - 13724 H2O 3903 H2O H1 3 0.423800 1.0079 0 - 13725 H2O 3903 H2O H2 3 0.423800 1.0079 0 - 13726 H2O 3904 H2O O1 4 -0.847600 15.9994 0 - 13727 H2O 3904 H2O H1 3 0.423800 1.0079 0 - 13728 H2O 3904 H2O H2 3 0.423800 1.0079 0 - 13729 H2O 3905 H2O O1 4 -0.847600 15.9994 0 - 13730 H2O 3905 H2O H1 3 0.423800 1.0079 0 - 13731 H2O 3905 H2O H2 3 0.423800 1.0079 0 - 13732 H2O 3906 H2O O1 4 -0.847600 15.9994 0 - 13733 H2O 3906 H2O H1 3 0.423800 1.0079 0 - 13734 H2O 3906 H2O H2 3 0.423800 1.0079 0 - 13735 H2O 3907 H2O O1 4 -0.847600 15.9994 0 - 13736 H2O 3907 H2O H1 3 0.423800 1.0079 0 - 13737 H2O 3907 H2O H2 3 0.423800 1.0079 0 - 13738 H2O 3908 H2O O1 4 -0.847600 15.9994 0 - 13739 H2O 3908 H2O H1 3 0.423800 1.0079 0 - 13740 H2O 3908 H2O H2 3 0.423800 1.0079 0 - 13741 H2O 3909 H2O O1 4 -0.847600 15.9994 0 - 13742 H2O 3909 H2O H1 3 0.423800 1.0079 0 - 13743 H2O 3909 H2O H2 3 0.423800 1.0079 0 - 13744 H2O 3910 H2O O1 4 -0.847600 15.9994 0 - 13745 H2O 3910 H2O H1 3 0.423800 1.0079 0 - 13746 H2O 3910 H2O H2 3 0.423800 1.0079 0 - 13747 H2O 3911 H2O O1 4 -0.847600 15.9994 0 - 13748 H2O 3911 H2O H1 3 0.423800 1.0079 0 - 13749 H2O 3911 H2O H2 3 0.423800 1.0079 0 - 13750 H2O 3912 H2O O1 4 -0.847600 15.9994 0 - 13751 H2O 3912 H2O H1 3 0.423800 1.0079 0 - 13752 H2O 3912 H2O H2 3 0.423800 1.0079 0 - 13753 H2O 3913 H2O O1 4 -0.847600 15.9994 0 - 13754 H2O 3913 H2O H1 3 0.423800 1.0079 0 - 13755 H2O 3913 H2O H2 3 0.423800 1.0079 0 - 13756 H2O 3914 H2O O1 4 -0.847600 15.9994 0 - 13757 H2O 3914 H2O H1 3 0.423800 1.0079 0 - 13758 H2O 3914 H2O H2 3 0.423800 1.0079 0 - 13759 H2O 3915 H2O O1 4 -0.847600 15.9994 0 - 13760 H2O 3915 H2O H1 3 0.423800 1.0079 0 - 13761 H2O 3915 H2O H2 3 0.423800 1.0079 0 - 13762 H2O 3916 H2O O1 4 -0.847600 15.9994 0 - 13763 H2O 3916 H2O H1 3 0.423800 1.0079 0 - 13764 H2O 3916 H2O H2 3 0.423800 1.0079 0 - 13765 H2O 3917 H2O O1 4 -0.847600 15.9994 0 - 13766 H2O 3917 H2O H1 3 0.423800 1.0079 0 - 13767 H2O 3917 H2O H2 3 0.423800 1.0079 0 - 13768 H2O 3918 H2O O1 4 -0.847600 15.9994 0 - 13769 H2O 3918 H2O H1 3 0.423800 1.0079 0 - 13770 H2O 3918 H2O H2 3 0.423800 1.0079 0 - 13771 H2O 3919 H2O O1 4 -0.847600 15.9994 0 - 13772 H2O 3919 H2O H1 3 0.423800 1.0079 0 - 13773 H2O 3919 H2O H2 3 0.423800 1.0079 0 - 13774 H2O 3920 H2O O1 4 -0.847600 15.9994 0 - 13775 H2O 3920 H2O H1 3 0.423800 1.0079 0 - 13776 H2O 3920 H2O H2 3 0.423800 1.0079 0 - 13777 H2O 3921 H2O O1 4 -0.847600 15.9994 0 - 13778 H2O 3921 H2O H1 3 0.423800 1.0079 0 - 13779 H2O 3921 H2O H2 3 0.423800 1.0079 0 - 13780 H2O 3922 H2O O1 4 -0.847600 15.9994 0 - 13781 H2O 3922 H2O H1 3 0.423800 1.0079 0 - 13782 H2O 3922 H2O H2 3 0.423800 1.0079 0 - 13783 H2O 3923 H2O O1 4 -0.847600 15.9994 0 - 13784 H2O 3923 H2O H1 3 0.423800 1.0079 0 - 13785 H2O 3923 H2O H2 3 0.423800 1.0079 0 - 13786 H2O 3924 H2O O1 4 -0.847600 15.9994 0 - 13787 H2O 3924 H2O H1 3 0.423800 1.0079 0 - 13788 H2O 3924 H2O H2 3 0.423800 1.0079 0 - 13789 H2O 3925 H2O O1 4 -0.847600 15.9994 0 - 13790 H2O 3925 H2O H1 3 0.423800 1.0079 0 - 13791 H2O 3925 H2O H2 3 0.423800 1.0079 0 - 13792 H2O 3926 H2O O1 4 -0.847600 15.9994 0 - 13793 H2O 3926 H2O H1 3 0.423800 1.0079 0 - 13794 H2O 3926 H2O H2 3 0.423800 1.0079 0 - 13795 H2O 3927 H2O O1 4 -0.847600 15.9994 0 - 13796 H2O 3927 H2O H1 3 0.423800 1.0079 0 - 13797 H2O 3927 H2O H2 3 0.423800 1.0079 0 - 13798 H2O 3928 H2O O1 4 -0.847600 15.9994 0 - 13799 H2O 3928 H2O H1 3 0.423800 1.0079 0 - 13800 H2O 3928 H2O H2 3 0.423800 1.0079 0 - 13801 H2O 3929 H2O O1 4 -0.847600 15.9994 0 - 13802 H2O 3929 H2O H1 3 0.423800 1.0079 0 - 13803 H2O 3929 H2O H2 3 0.423800 1.0079 0 - 13804 H2O 3930 H2O O1 4 -0.847600 15.9994 0 - 13805 H2O 3930 H2O H1 3 0.423800 1.0079 0 - 13806 H2O 3930 H2O H2 3 0.423800 1.0079 0 - 13807 H2O 3931 H2O O1 4 -0.847600 15.9994 0 - 13808 H2O 3931 H2O H1 3 0.423800 1.0079 0 - 13809 H2O 3931 H2O H2 3 0.423800 1.0079 0 - 13810 H2O 3932 H2O O1 4 -0.847600 15.9994 0 - 13811 H2O 3932 H2O H1 3 0.423800 1.0079 0 - 13812 H2O 3932 H2O H2 3 0.423800 1.0079 0 - 13813 H2O 3933 H2O O1 4 -0.847600 15.9994 0 - 13814 H2O 3933 H2O H1 3 0.423800 1.0079 0 - 13815 H2O 3933 H2O H2 3 0.423800 1.0079 0 - 13816 H2O 3934 H2O O1 4 -0.847600 15.9994 0 - 13817 H2O 3934 H2O H1 3 0.423800 1.0079 0 - 13818 H2O 3934 H2O H2 3 0.423800 1.0079 0 - 13819 H2O 3935 H2O O1 4 -0.847600 15.9994 0 - 13820 H2O 3935 H2O H1 3 0.423800 1.0079 0 - 13821 H2O 3935 H2O H2 3 0.423800 1.0079 0 - 13822 H2O 3936 H2O O1 4 -0.847600 15.9994 0 - 13823 H2O 3936 H2O H1 3 0.423800 1.0079 0 - 13824 H2O 3936 H2O H2 3 0.423800 1.0079 0 - 13825 H2O 3937 H2O O1 4 -0.847600 15.9994 0 - 13826 H2O 3937 H2O H1 3 0.423800 1.0079 0 - 13827 H2O 3937 H2O H2 3 0.423800 1.0079 0 - 13828 H2O 3938 H2O O1 4 -0.847600 15.9994 0 - 13829 H2O 3938 H2O H1 3 0.423800 1.0079 0 - 13830 H2O 3938 H2O H2 3 0.423800 1.0079 0 - 13831 H2O 3939 H2O O1 4 -0.847600 15.9994 0 - 13832 H2O 3939 H2O H1 3 0.423800 1.0079 0 - 13833 H2O 3939 H2O H2 3 0.423800 1.0079 0 - 13834 H2O 3940 H2O O1 4 -0.847600 15.9994 0 - 13835 H2O 3940 H2O H1 3 0.423800 1.0079 0 - 13836 H2O 3940 H2O H2 3 0.423800 1.0079 0 - 13837 H2O 3941 H2O O1 4 -0.847600 15.9994 0 - 13838 H2O 3941 H2O H1 3 0.423800 1.0079 0 - 13839 H2O 3941 H2O H2 3 0.423800 1.0079 0 - 13840 H2O 3942 H2O O1 4 -0.847600 15.9994 0 - 13841 H2O 3942 H2O H1 3 0.423800 1.0079 0 - 13842 H2O 3942 H2O H2 3 0.423800 1.0079 0 - 13843 H2O 3943 H2O O1 4 -0.847600 15.9994 0 - 13844 H2O 3943 H2O H1 3 0.423800 1.0079 0 - 13845 H2O 3943 H2O H2 3 0.423800 1.0079 0 - 13846 H2O 3944 H2O O1 4 -0.847600 15.9994 0 - 13847 H2O 3944 H2O H1 3 0.423800 1.0079 0 - 13848 H2O 3944 H2O H2 3 0.423800 1.0079 0 - 13849 H2O 3945 H2O O1 4 -0.847600 15.9994 0 - 13850 H2O 3945 H2O H1 3 0.423800 1.0079 0 - 13851 H2O 3945 H2O H2 3 0.423800 1.0079 0 - 13852 H2O 3946 H2O O1 4 -0.847600 15.9994 0 - 13853 H2O 3946 H2O H1 3 0.423800 1.0079 0 - 13854 H2O 3946 H2O H2 3 0.423800 1.0079 0 - 13855 H2O 3947 H2O O1 4 -0.847600 15.9994 0 - 13856 H2O 3947 H2O H1 3 0.423800 1.0079 0 - 13857 H2O 3947 H2O H2 3 0.423800 1.0079 0 - 13858 H2O 3948 H2O O1 4 -0.847600 15.9994 0 - 13859 H2O 3948 H2O H1 3 0.423800 1.0079 0 - 13860 H2O 3948 H2O H2 3 0.423800 1.0079 0 - 13861 H2O 3949 H2O O1 4 -0.847600 15.9994 0 - 13862 H2O 3949 H2O H1 3 0.423800 1.0079 0 - 13863 H2O 3949 H2O H2 3 0.423800 1.0079 0 - 13864 H2O 3950 H2O O1 4 -0.847600 15.9994 0 - 13865 H2O 3950 H2O H1 3 0.423800 1.0079 0 - 13866 H2O 3950 H2O H2 3 0.423800 1.0079 0 - 13867 H2O 3951 H2O O1 4 -0.847600 15.9994 0 - 13868 H2O 3951 H2O H1 3 0.423800 1.0079 0 - 13869 H2O 3951 H2O H2 3 0.423800 1.0079 0 - 13870 H2O 3952 H2O O1 4 -0.847600 15.9994 0 - 13871 H2O 3952 H2O H1 3 0.423800 1.0079 0 - 13872 H2O 3952 H2O H2 3 0.423800 1.0079 0 - 13873 H2O 3953 H2O O1 4 -0.847600 15.9994 0 - 13874 H2O 3953 H2O H1 3 0.423800 1.0079 0 - 13875 H2O 3953 H2O H2 3 0.423800 1.0079 0 - 13876 H2O 3954 H2O O1 4 -0.847600 15.9994 0 - 13877 H2O 3954 H2O H1 3 0.423800 1.0079 0 - 13878 H2O 3954 H2O H2 3 0.423800 1.0079 0 - 13879 H2O 3955 H2O O1 4 -0.847600 15.9994 0 - 13880 H2O 3955 H2O H1 3 0.423800 1.0079 0 - 13881 H2O 3955 H2O H2 3 0.423800 1.0079 0 - 13882 H2O 3956 H2O O1 4 -0.847600 15.9994 0 - 13883 H2O 3956 H2O H1 3 0.423800 1.0079 0 - 13884 H2O 3956 H2O H2 3 0.423800 1.0079 0 - 13885 H2O 3957 H2O O1 4 -0.847600 15.9994 0 - 13886 H2O 3957 H2O H1 3 0.423800 1.0079 0 - 13887 H2O 3957 H2O H2 3 0.423800 1.0079 0 - 13888 H2O 3958 H2O O1 4 -0.847600 15.9994 0 - 13889 H2O 3958 H2O H1 3 0.423800 1.0079 0 - 13890 H2O 3958 H2O H2 3 0.423800 1.0079 0 - 13891 H2O 3959 H2O O1 4 -0.847600 15.9994 0 - 13892 H2O 3959 H2O H1 3 0.423800 1.0079 0 - 13893 H2O 3959 H2O H2 3 0.423800 1.0079 0 - 13894 H2O 3960 H2O O1 4 -0.847600 15.9994 0 - 13895 H2O 3960 H2O H1 3 0.423800 1.0079 0 - 13896 H2O 3960 H2O H2 3 0.423800 1.0079 0 - 13897 H2O 3961 H2O O1 4 -0.847600 15.9994 0 - 13898 H2O 3961 H2O H1 3 0.423800 1.0079 0 - 13899 H2O 3961 H2O H2 3 0.423800 1.0079 0 - 13900 H2O 3962 H2O O1 4 -0.847600 15.9994 0 - 13901 H2O 3962 H2O H1 3 0.423800 1.0079 0 - 13902 H2O 3962 H2O H2 3 0.423800 1.0079 0 - 13903 H2O 3963 H2O O1 4 -0.847600 15.9994 0 - 13904 H2O 3963 H2O H1 3 0.423800 1.0079 0 - 13905 H2O 3963 H2O H2 3 0.423800 1.0079 0 - 13906 H2O 3964 H2O O1 4 -0.847600 15.9994 0 - 13907 H2O 3964 H2O H1 3 0.423800 1.0079 0 - 13908 H2O 3964 H2O H2 3 0.423800 1.0079 0 - 13909 H2O 3965 H2O O1 4 -0.847600 15.9994 0 - 13910 H2O 3965 H2O H1 3 0.423800 1.0079 0 - 13911 H2O 3965 H2O H2 3 0.423800 1.0079 0 - 13912 H2O 3966 H2O O1 4 -0.847600 15.9994 0 - 13913 H2O 3966 H2O H1 3 0.423800 1.0079 0 - 13914 H2O 3966 H2O H2 3 0.423800 1.0079 0 - 13915 H2O 3967 H2O O1 4 -0.847600 15.9994 0 - 13916 H2O 3967 H2O H1 3 0.423800 1.0079 0 - 13917 H2O 3967 H2O H2 3 0.423800 1.0079 0 - 13918 H2O 3968 H2O O1 4 -0.847600 15.9994 0 - 13919 H2O 3968 H2O H1 3 0.423800 1.0079 0 - 13920 H2O 3968 H2O H2 3 0.423800 1.0079 0 - 13921 H2O 3969 H2O O1 4 -0.847600 15.9994 0 - 13922 H2O 3969 H2O H1 3 0.423800 1.0079 0 - 13923 H2O 3969 H2O H2 3 0.423800 1.0079 0 - 13924 H2O 3970 H2O O1 4 -0.847600 15.9994 0 - 13925 H2O 3970 H2O H1 3 0.423800 1.0079 0 - 13926 H2O 3970 H2O H2 3 0.423800 1.0079 0 - 13927 H2O 3971 H2O O1 4 -0.847600 15.9994 0 - 13928 H2O 3971 H2O H1 3 0.423800 1.0079 0 - 13929 H2O 3971 H2O H2 3 0.423800 1.0079 0 - 13930 H2O 3972 H2O O1 4 -0.847600 15.9994 0 - 13931 H2O 3972 H2O H1 3 0.423800 1.0079 0 - 13932 H2O 3972 H2O H2 3 0.423800 1.0079 0 - 13933 H2O 3973 H2O O1 4 -0.847600 15.9994 0 - 13934 H2O 3973 H2O H1 3 0.423800 1.0079 0 - 13935 H2O 3973 H2O H2 3 0.423800 1.0079 0 - 13936 H2O 3974 H2O O1 4 -0.847600 15.9994 0 - 13937 H2O 3974 H2O H1 3 0.423800 1.0079 0 - 13938 H2O 3974 H2O H2 3 0.423800 1.0079 0 - 13939 H2O 3975 H2O O1 4 -0.847600 15.9994 0 - 13940 H2O 3975 H2O H1 3 0.423800 1.0079 0 - 13941 H2O 3975 H2O H2 3 0.423800 1.0079 0 - 13942 H2O 3976 H2O O1 4 -0.847600 15.9994 0 - 13943 H2O 3976 H2O H1 3 0.423800 1.0079 0 - 13944 H2O 3976 H2O H2 3 0.423800 1.0079 0 - 13945 H2O 3977 H2O O1 4 -0.847600 15.9994 0 - 13946 H2O 3977 H2O H1 3 0.423800 1.0079 0 - 13947 H2O 3977 H2O H2 3 0.423800 1.0079 0 - 13948 H2O 3978 H2O O1 4 -0.847600 15.9994 0 - 13949 H2O 3978 H2O H1 3 0.423800 1.0079 0 - 13950 H2O 3978 H2O H2 3 0.423800 1.0079 0 - 13951 H2O 3979 H2O O1 4 -0.847600 15.9994 0 - 13952 H2O 3979 H2O H1 3 0.423800 1.0079 0 - 13953 H2O 3979 H2O H2 3 0.423800 1.0079 0 - 13954 H2O 3980 H2O O1 4 -0.847600 15.9994 0 - 13955 H2O 3980 H2O H1 3 0.423800 1.0079 0 - 13956 H2O 3980 H2O H2 3 0.423800 1.0079 0 - 13957 H2O 3981 H2O O1 4 -0.847600 15.9994 0 - 13958 H2O 3981 H2O H1 3 0.423800 1.0079 0 - 13959 H2O 3981 H2O H2 3 0.423800 1.0079 0 - 13960 H2O 3982 H2O O1 4 -0.847600 15.9994 0 - 13961 H2O 3982 H2O H1 3 0.423800 1.0079 0 - 13962 H2O 3982 H2O H2 3 0.423800 1.0079 0 - 13963 H2O 3983 H2O O1 4 -0.847600 15.9994 0 - 13964 H2O 3983 H2O H1 3 0.423800 1.0079 0 - 13965 H2O 3983 H2O H2 3 0.423800 1.0079 0 - 13966 H2O 3984 H2O O1 4 -0.847600 15.9994 0 - 13967 H2O 3984 H2O H1 3 0.423800 1.0079 0 - 13968 H2O 3984 H2O H2 3 0.423800 1.0079 0 - 13969 H2O 3985 H2O O1 4 -0.847600 15.9994 0 - 13970 H2O 3985 H2O H1 3 0.423800 1.0079 0 - 13971 H2O 3985 H2O H2 3 0.423800 1.0079 0 - 13972 H2O 3986 H2O O1 4 -0.847600 15.9994 0 - 13973 H2O 3986 H2O H1 3 0.423800 1.0079 0 - 13974 H2O 3986 H2O H2 3 0.423800 1.0079 0 - 13975 H2O 3987 H2O O1 4 -0.847600 15.9994 0 - 13976 H2O 3987 H2O H1 3 0.423800 1.0079 0 - 13977 H2O 3987 H2O H2 3 0.423800 1.0079 0 - 13978 H2O 3988 H2O O1 4 -0.847600 15.9994 0 - 13979 H2O 3988 H2O H1 3 0.423800 1.0079 0 - 13980 H2O 3988 H2O H2 3 0.423800 1.0079 0 - 13981 H2O 3989 H2O O1 4 -0.847600 15.9994 0 - 13982 H2O 3989 H2O H1 3 0.423800 1.0079 0 - 13983 H2O 3989 H2O H2 3 0.423800 1.0079 0 - 13984 H2O 3990 H2O O1 4 -0.847600 15.9994 0 - 13985 H2O 3990 H2O H1 3 0.423800 1.0079 0 - 13986 H2O 3990 H2O H2 3 0.423800 1.0079 0 - 13987 H2O 3991 H2O O1 4 -0.847600 15.9994 0 - 13988 H2O 3991 H2O H1 3 0.423800 1.0079 0 - 13989 H2O 3991 H2O H2 3 0.423800 1.0079 0 - 13990 H2O 3992 H2O O1 4 -0.847600 15.9994 0 - 13991 H2O 3992 H2O H1 3 0.423800 1.0079 0 - 13992 H2O 3992 H2O H2 3 0.423800 1.0079 0 - 13993 H2O 3993 H2O O1 4 -0.847600 15.9994 0 - 13994 H2O 3993 H2O H1 3 0.423800 1.0079 0 - 13995 H2O 3993 H2O H2 3 0.423800 1.0079 0 - 13996 H2O 3994 H2O O1 4 -0.847600 15.9994 0 - 13997 H2O 3994 H2O H1 3 0.423800 1.0079 0 - 13998 H2O 3994 H2O H2 3 0.423800 1.0079 0 - 13999 H2O 3995 H2O O1 4 -0.847600 15.9994 0 - 14000 H2O 3995 H2O H1 3 0.423800 1.0079 0 - 14001 H2O 3995 H2O H2 3 0.423800 1.0079 0 - 14002 H2O 3996 H2O O1 4 -0.847600 15.9994 0 - 14003 H2O 3996 H2O H1 3 0.423800 1.0079 0 - 14004 H2O 3996 H2O H2 3 0.423800 1.0079 0 - 14005 H2O 3997 H2O O1 4 -0.847600 15.9994 0 - 14006 H2O 3997 H2O H1 3 0.423800 1.0079 0 - 14007 H2O 3997 H2O H2 3 0.423800 1.0079 0 - 14008 H2O 3998 H2O O1 4 -0.847600 15.9994 0 - 14009 H2O 3998 H2O H1 3 0.423800 1.0079 0 - 14010 H2O 3998 H2O H2 3 0.423800 1.0079 0 - 14011 H2O 3999 H2O O1 4 -0.847600 15.9994 0 - 14012 H2O 3999 H2O H1 3 0.423800 1.0079 0 - 14013 H2O 3999 H2O H2 3 0.423800 1.0079 0 - 14014 H2O 4000 H2O O1 4 -0.847600 15.9994 0 - 14015 H2O 4000 H2O H1 3 0.423800 1.0079 0 - 14016 H2O 4000 H2O H2 3 0.423800 1.0079 0 - 14017 H2O 4001 H2O O1 4 -0.847600 15.9994 0 - 14018 H2O 4001 H2O H1 3 0.423800 1.0079 0 - 14019 H2O 4001 H2O H2 3 0.423800 1.0079 0 - 14020 H2O 4002 H2O O1 4 -0.847600 15.9994 0 - 14021 H2O 4002 H2O H1 3 0.423800 1.0079 0 - 14022 H2O 4002 H2O H2 3 0.423800 1.0079 0 - 14023 H2O 4003 H2O O1 4 -0.847600 15.9994 0 - 14024 H2O 4003 H2O H1 3 0.423800 1.0079 0 - 14025 H2O 4003 H2O H2 3 0.423800 1.0079 0 - 14026 H2O 4004 H2O O1 4 -0.847600 15.9994 0 - 14027 H2O 4004 H2O H1 3 0.423800 1.0079 0 - 14028 H2O 4004 H2O H2 3 0.423800 1.0079 0 - 14029 H2O 4005 H2O O1 4 -0.847600 15.9994 0 - 14030 H2O 4005 H2O H1 3 0.423800 1.0079 0 - 14031 H2O 4005 H2O H2 3 0.423800 1.0079 0 - 14032 H2O 4006 H2O O1 4 -0.847600 15.9994 0 - 14033 H2O 4006 H2O H1 3 0.423800 1.0079 0 - 14034 H2O 4006 H2O H2 3 0.423800 1.0079 0 - 14035 H2O 4007 H2O O1 4 -0.847600 15.9994 0 - 14036 H2O 4007 H2O H1 3 0.423800 1.0079 0 - 14037 H2O 4007 H2O H2 3 0.423800 1.0079 0 - 14038 H2O 4008 H2O O1 4 -0.847600 15.9994 0 - 14039 H2O 4008 H2O H1 3 0.423800 1.0079 0 - 14040 H2O 4008 H2O H2 3 0.423800 1.0079 0 - 14041 H2O 4009 H2O O1 4 -0.847600 15.9994 0 - 14042 H2O 4009 H2O H1 3 0.423800 1.0079 0 - 14043 H2O 4009 H2O H2 3 0.423800 1.0079 0 - 14044 H2O 4010 H2O O1 4 -0.847600 15.9994 0 - 14045 H2O 4010 H2O H1 3 0.423800 1.0079 0 - 14046 H2O 4010 H2O H2 3 0.423800 1.0079 0 - 14047 H2O 4011 H2O O1 4 -0.847600 15.9994 0 - 14048 H2O 4011 H2O H1 3 0.423800 1.0079 0 - 14049 H2O 4011 H2O H2 3 0.423800 1.0079 0 - 14050 H2O 4012 H2O O1 4 -0.847600 15.9994 0 - 14051 H2O 4012 H2O H1 3 0.423800 1.0079 0 - 14052 H2O 4012 H2O H2 3 0.423800 1.0079 0 - 14053 H2O 4013 H2O O1 4 -0.847600 15.9994 0 - 14054 H2O 4013 H2O H1 3 0.423800 1.0079 0 - 14055 H2O 4013 H2O H2 3 0.423800 1.0079 0 - 14056 H2O 4014 H2O O1 4 -0.847600 15.9994 0 - 14057 H2O 4014 H2O H1 3 0.423800 1.0079 0 - 14058 H2O 4014 H2O H2 3 0.423800 1.0079 0 - 14059 H2O 4015 H2O O1 4 -0.847600 15.9994 0 - 14060 H2O 4015 H2O H1 3 0.423800 1.0079 0 - 14061 H2O 4015 H2O H2 3 0.423800 1.0079 0 - 14062 H2O 4016 H2O O1 4 -0.847600 15.9994 0 - 14063 H2O 4016 H2O H1 3 0.423800 1.0079 0 - 14064 H2O 4016 H2O H2 3 0.423800 1.0079 0 - 14065 H2O 4017 H2O O1 4 -0.847600 15.9994 0 - 14066 H2O 4017 H2O H1 3 0.423800 1.0079 0 - 14067 H2O 4017 H2O H2 3 0.423800 1.0079 0 - 14068 H2O 4018 H2O O1 4 -0.847600 15.9994 0 - 14069 H2O 4018 H2O H1 3 0.423800 1.0079 0 - 14070 H2O 4018 H2O H2 3 0.423800 1.0079 0 - 14071 H2O 4019 H2O O1 4 -0.847600 15.9994 0 - 14072 H2O 4019 H2O H1 3 0.423800 1.0079 0 - 14073 H2O 4019 H2O H2 3 0.423800 1.0079 0 - 14074 H2O 4020 H2O O1 4 -0.847600 15.9994 0 - 14075 H2O 4020 H2O H1 3 0.423800 1.0079 0 - 14076 H2O 4020 H2O H2 3 0.423800 1.0079 0 - 14077 H2O 4021 H2O O1 4 -0.847600 15.9994 0 - 14078 H2O 4021 H2O H1 3 0.423800 1.0079 0 - 14079 H2O 4021 H2O H2 3 0.423800 1.0079 0 - 14080 H2O 4022 H2O O1 4 -0.847600 15.9994 0 - 14081 H2O 4022 H2O H1 3 0.423800 1.0079 0 - 14082 H2O 4022 H2O H2 3 0.423800 1.0079 0 - 14083 H2O 4023 H2O O1 4 -0.847600 15.9994 0 - 14084 H2O 4023 H2O H1 3 0.423800 1.0079 0 - 14085 H2O 4023 H2O H2 3 0.423800 1.0079 0 - 14086 H2O 4024 H2O O1 4 -0.847600 15.9994 0 - 14087 H2O 4024 H2O H1 3 0.423800 1.0079 0 - 14088 H2O 4024 H2O H2 3 0.423800 1.0079 0 - 14089 H2O 4025 H2O O1 4 -0.847600 15.9994 0 - 14090 H2O 4025 H2O H1 3 0.423800 1.0079 0 - 14091 H2O 4025 H2O H2 3 0.423800 1.0079 0 - 14092 H2O 4026 H2O O1 4 -0.847600 15.9994 0 - 14093 H2O 4026 H2O H1 3 0.423800 1.0079 0 - 14094 H2O 4026 H2O H2 3 0.423800 1.0079 0 - 14095 H2O 4027 H2O O1 4 -0.847600 15.9994 0 - 14096 H2O 4027 H2O H1 3 0.423800 1.0079 0 - 14097 H2O 4027 H2O H2 3 0.423800 1.0079 0 - 14098 H2O 4028 H2O O1 4 -0.847600 15.9994 0 - 14099 H2O 4028 H2O H1 3 0.423800 1.0079 0 - 14100 H2O 4028 H2O H2 3 0.423800 1.0079 0 - 14101 H2O 4029 H2O O1 4 -0.847600 15.9994 0 - 14102 H2O 4029 H2O H1 3 0.423800 1.0079 0 - 14103 H2O 4029 H2O H2 3 0.423800 1.0079 0 - 14104 H2O 4030 H2O O1 4 -0.847600 15.9994 0 - 14105 H2O 4030 H2O H1 3 0.423800 1.0079 0 - 14106 H2O 4030 H2O H2 3 0.423800 1.0079 0 - 14107 H2O 4031 H2O O1 4 -0.847600 15.9994 0 - 14108 H2O 4031 H2O H1 3 0.423800 1.0079 0 - 14109 H2O 4031 H2O H2 3 0.423800 1.0079 0 - 14110 H2O 4032 H2O O1 4 -0.847600 15.9994 0 - 14111 H2O 4032 H2O H1 3 0.423800 1.0079 0 - 14112 H2O 4032 H2O H2 3 0.423800 1.0079 0 - 14113 H2O 4033 H2O O1 4 -0.847600 15.9994 0 - 14114 H2O 4033 H2O H1 3 0.423800 1.0079 0 - 14115 H2O 4033 H2O H2 3 0.423800 1.0079 0 - 14116 H2O 4034 H2O O1 4 -0.847600 15.9994 0 - 14117 H2O 4034 H2O H1 3 0.423800 1.0079 0 - 14118 H2O 4034 H2O H2 3 0.423800 1.0079 0 - 14119 H2O 4035 H2O O1 4 -0.847600 15.9994 0 - 14120 H2O 4035 H2O H1 3 0.423800 1.0079 0 - 14121 H2O 4035 H2O H2 3 0.423800 1.0079 0 - 14122 H2O 4036 H2O O1 4 -0.847600 15.9994 0 - 14123 H2O 4036 H2O H1 3 0.423800 1.0079 0 - 14124 H2O 4036 H2O H2 3 0.423800 1.0079 0 - 14125 H2O 4037 H2O O1 4 -0.847600 15.9994 0 - 14126 H2O 4037 H2O H1 3 0.423800 1.0079 0 - 14127 H2O 4037 H2O H2 3 0.423800 1.0079 0 - 14128 H2O 4038 H2O O1 4 -0.847600 15.9994 0 - 14129 H2O 4038 H2O H1 3 0.423800 1.0079 0 - 14130 H2O 4038 H2O H2 3 0.423800 1.0079 0 - 14131 H2O 4039 H2O O1 4 -0.847600 15.9994 0 - 14132 H2O 4039 H2O H1 3 0.423800 1.0079 0 - 14133 H2O 4039 H2O H2 3 0.423800 1.0079 0 - 14134 H2O 4040 H2O O1 4 -0.847600 15.9994 0 - 14135 H2O 4040 H2O H1 3 0.423800 1.0079 0 - 14136 H2O 4040 H2O H2 3 0.423800 1.0079 0 - 14137 H2O 4041 H2O O1 4 -0.847600 15.9994 0 - 14138 H2O 4041 H2O H1 3 0.423800 1.0079 0 - 14139 H2O 4041 H2O H2 3 0.423800 1.0079 0 - 14140 H2O 4042 H2O O1 4 -0.847600 15.9994 0 - 14141 H2O 4042 H2O H1 3 0.423800 1.0079 0 - 14142 H2O 4042 H2O H2 3 0.423800 1.0079 0 - 14143 H2O 4043 H2O O1 4 -0.847600 15.9994 0 - 14144 H2O 4043 H2O H1 3 0.423800 1.0079 0 - 14145 H2O 4043 H2O H2 3 0.423800 1.0079 0 - 14146 H2O 4044 H2O O1 4 -0.847600 15.9994 0 - 14147 H2O 4044 H2O H1 3 0.423800 1.0079 0 - 14148 H2O 4044 H2O H2 3 0.423800 1.0079 0 - 14149 H2O 4045 H2O O1 4 -0.847600 15.9994 0 - 14150 H2O 4045 H2O H1 3 0.423800 1.0079 0 - 14151 H2O 4045 H2O H2 3 0.423800 1.0079 0 - 14152 H2O 4046 H2O O1 4 -0.847600 15.9994 0 - 14153 H2O 4046 H2O H1 3 0.423800 1.0079 0 - 14154 H2O 4046 H2O H2 3 0.423800 1.0079 0 - 14155 H2O 4047 H2O O1 4 -0.847600 15.9994 0 - 14156 H2O 4047 H2O H1 3 0.423800 1.0079 0 - 14157 H2O 4047 H2O H2 3 0.423800 1.0079 0 - 14158 H2O 4048 H2O O1 4 -0.847600 15.9994 0 - 14159 H2O 4048 H2O H1 3 0.423800 1.0079 0 - 14160 H2O 4048 H2O H2 3 0.423800 1.0079 0 - 14161 H2O 4049 H2O O1 4 -0.847600 15.9994 0 - 14162 H2O 4049 H2O H1 3 0.423800 1.0079 0 - 14163 H2O 4049 H2O H2 3 0.423800 1.0079 0 - 14164 H2O 4050 H2O O1 4 -0.847600 15.9994 0 - 14165 H2O 4050 H2O H1 3 0.423800 1.0079 0 - 14166 H2O 4050 H2O H2 3 0.423800 1.0079 0 - 14167 H2O 4051 H2O O1 4 -0.847600 15.9994 0 - 14168 H2O 4051 H2O H1 3 0.423800 1.0079 0 - 14169 H2O 4051 H2O H2 3 0.423800 1.0079 0 - 14170 H2O 4052 H2O O1 4 -0.847600 15.9994 0 - 14171 H2O 4052 H2O H1 3 0.423800 1.0079 0 - 14172 H2O 4052 H2O H2 3 0.423800 1.0079 0 - 14173 H2O 4053 H2O O1 4 -0.847600 15.9994 0 - 14174 H2O 4053 H2O H1 3 0.423800 1.0079 0 - 14175 H2O 4053 H2O H2 3 0.423800 1.0079 0 - 14176 H2O 4054 H2O O1 4 -0.847600 15.9994 0 - 14177 H2O 4054 H2O H1 3 0.423800 1.0079 0 - 14178 H2O 4054 H2O H2 3 0.423800 1.0079 0 - 14179 H2O 4055 H2O O1 4 -0.847600 15.9994 0 - 14180 H2O 4055 H2O H1 3 0.423800 1.0079 0 - 14181 H2O 4055 H2O H2 3 0.423800 1.0079 0 - 14182 H2O 4056 H2O O1 4 -0.847600 15.9994 0 - 14183 H2O 4056 H2O H1 3 0.423800 1.0079 0 - 14184 H2O 4056 H2O H2 3 0.423800 1.0079 0 - 14185 H2O 4057 H2O O1 4 -0.847600 15.9994 0 - 14186 H2O 4057 H2O H1 3 0.423800 1.0079 0 - 14187 H2O 4057 H2O H2 3 0.423800 1.0079 0 - 14188 H2O 4058 H2O O1 4 -0.847600 15.9994 0 - 14189 H2O 4058 H2O H1 3 0.423800 1.0079 0 - 14190 H2O 4058 H2O H2 3 0.423800 1.0079 0 - 14191 H2O 4059 H2O O1 4 -0.847600 15.9994 0 - 14192 H2O 4059 H2O H1 3 0.423800 1.0079 0 - 14193 H2O 4059 H2O H2 3 0.423800 1.0079 0 - 14194 H2O 4060 H2O O1 4 -0.847600 15.9994 0 - 14195 H2O 4060 H2O H1 3 0.423800 1.0079 0 - 14196 H2O 4060 H2O H2 3 0.423800 1.0079 0 - 14197 H2O 4061 H2O O1 4 -0.847600 15.9994 0 - 14198 H2O 4061 H2O H1 3 0.423800 1.0079 0 - 14199 H2O 4061 H2O H2 3 0.423800 1.0079 0 - 14200 H2O 4062 H2O O1 4 -0.847600 15.9994 0 - 14201 H2O 4062 H2O H1 3 0.423800 1.0079 0 - 14202 H2O 4062 H2O H2 3 0.423800 1.0079 0 - 14203 H2O 4063 H2O O1 4 -0.847600 15.9994 0 - 14204 H2O 4063 H2O H1 3 0.423800 1.0079 0 - 14205 H2O 4063 H2O H2 3 0.423800 1.0079 0 - 14206 H2O 4064 H2O O1 4 -0.847600 15.9994 0 - 14207 H2O 4064 H2O H1 3 0.423800 1.0079 0 - 14208 H2O 4064 H2O H2 3 0.423800 1.0079 0 - 14209 H2O 4065 H2O O1 4 -0.847600 15.9994 0 - 14210 H2O 4065 H2O H1 3 0.423800 1.0079 0 - 14211 H2O 4065 H2O H2 3 0.423800 1.0079 0 - 14212 H2O 4066 H2O O1 4 -0.847600 15.9994 0 - 14213 H2O 4066 H2O H1 3 0.423800 1.0079 0 - 14214 H2O 4066 H2O H2 3 0.423800 1.0079 0 - 14215 H2O 4067 H2O O1 4 -0.847600 15.9994 0 - 14216 H2O 4067 H2O H1 3 0.423800 1.0079 0 - 14217 H2O 4067 H2O H2 3 0.423800 1.0079 0 - 14218 H2O 4068 H2O O1 4 -0.847600 15.9994 0 - 14219 H2O 4068 H2O H1 3 0.423800 1.0079 0 - 14220 H2O 4068 H2O H2 3 0.423800 1.0079 0 - 14221 H2O 4069 H2O O1 4 -0.847600 15.9994 0 - 14222 H2O 4069 H2O H1 3 0.423800 1.0079 0 - 14223 H2O 4069 H2O H2 3 0.423800 1.0079 0 - 14224 H2O 4070 H2O O1 4 -0.847600 15.9994 0 - 14225 H2O 4070 H2O H1 3 0.423800 1.0079 0 - 14226 H2O 4070 H2O H2 3 0.423800 1.0079 0 - 14227 H2O 4071 H2O O1 4 -0.847600 15.9994 0 - 14228 H2O 4071 H2O H1 3 0.423800 1.0079 0 - 14229 H2O 4071 H2O H2 3 0.423800 1.0079 0 - 14230 H2O 4072 H2O O1 4 -0.847600 15.9994 0 - 14231 H2O 4072 H2O H1 3 0.423800 1.0079 0 - 14232 H2O 4072 H2O H2 3 0.423800 1.0079 0 - 14233 H2O 4073 H2O O1 4 -0.847600 15.9994 0 - 14234 H2O 4073 H2O H1 3 0.423800 1.0079 0 - 14235 H2O 4073 H2O H2 3 0.423800 1.0079 0 - 14236 H2O 4074 H2O O1 4 -0.847600 15.9994 0 - 14237 H2O 4074 H2O H1 3 0.423800 1.0079 0 - 14238 H2O 4074 H2O H2 3 0.423800 1.0079 0 - 14239 H2O 4075 H2O O1 4 -0.847600 15.9994 0 - 14240 H2O 4075 H2O H1 3 0.423800 1.0079 0 - 14241 H2O 4075 H2O H2 3 0.423800 1.0079 0 - 14242 H2O 4076 H2O O1 4 -0.847600 15.9994 0 - 14243 H2O 4076 H2O H1 3 0.423800 1.0079 0 - 14244 H2O 4076 H2O H2 3 0.423800 1.0079 0 - 14245 H2O 4077 H2O O1 4 -0.847600 15.9994 0 - 14246 H2O 4077 H2O H1 3 0.423800 1.0079 0 - 14247 H2O 4077 H2O H2 3 0.423800 1.0079 0 - 14248 H2O 4078 H2O O1 4 -0.847600 15.9994 0 - 14249 H2O 4078 H2O H1 3 0.423800 1.0079 0 - 14250 H2O 4078 H2O H2 3 0.423800 1.0079 0 - 14251 H2O 4079 H2O O1 4 -0.847600 15.9994 0 - 14252 H2O 4079 H2O H1 3 0.423800 1.0079 0 - 14253 H2O 4079 H2O H2 3 0.423800 1.0079 0 - 14254 H2O 4080 H2O O1 4 -0.847600 15.9994 0 - 14255 H2O 4080 H2O H1 3 0.423800 1.0079 0 - 14256 H2O 4080 H2O H2 3 0.423800 1.0079 0 - 14257 H2O 4081 H2O O1 4 -0.847600 15.9994 0 - 14258 H2O 4081 H2O H1 3 0.423800 1.0079 0 - 14259 H2O 4081 H2O H2 3 0.423800 1.0079 0 - 14260 H2O 4082 H2O O1 4 -0.847600 15.9994 0 - 14261 H2O 4082 H2O H1 3 0.423800 1.0079 0 - 14262 H2O 4082 H2O H2 3 0.423800 1.0079 0 - 14263 H2O 4083 H2O O1 4 -0.847600 15.9994 0 - 14264 H2O 4083 H2O H1 3 0.423800 1.0079 0 - 14265 H2O 4083 H2O H2 3 0.423800 1.0079 0 - 14266 H2O 4084 H2O O1 4 -0.847600 15.9994 0 - 14267 H2O 4084 H2O H1 3 0.423800 1.0079 0 - 14268 H2O 4084 H2O H2 3 0.423800 1.0079 0 - 14269 H2O 4085 H2O O1 4 -0.847600 15.9994 0 - 14270 H2O 4085 H2O H1 3 0.423800 1.0079 0 - 14271 H2O 4085 H2O H2 3 0.423800 1.0079 0 - 14272 H2O 4086 H2O O1 4 -0.847600 15.9994 0 - 14273 H2O 4086 H2O H1 3 0.423800 1.0079 0 - 14274 H2O 4086 H2O H2 3 0.423800 1.0079 0 - 14275 H2O 4087 H2O O1 4 -0.847600 15.9994 0 - 14276 H2O 4087 H2O H1 3 0.423800 1.0079 0 - 14277 H2O 4087 H2O H2 3 0.423800 1.0079 0 - 14278 H2O 4088 H2O O1 4 -0.847600 15.9994 0 - 14279 H2O 4088 H2O H1 3 0.423800 1.0079 0 - 14280 H2O 4088 H2O H2 3 0.423800 1.0079 0 - 14281 H2O 4089 H2O O1 4 -0.847600 15.9994 0 - 14282 H2O 4089 H2O H1 3 0.423800 1.0079 0 - 14283 H2O 4089 H2O H2 3 0.423800 1.0079 0 - 14284 H2O 4090 H2O O1 4 -0.847600 15.9994 0 - 14285 H2O 4090 H2O H1 3 0.423800 1.0079 0 - 14286 H2O 4090 H2O H2 3 0.423800 1.0079 0 - 14287 H2O 4091 H2O O1 4 -0.847600 15.9994 0 - 14288 H2O 4091 H2O H1 3 0.423800 1.0079 0 - 14289 H2O 4091 H2O H2 3 0.423800 1.0079 0 - 14290 H2O 4092 H2O O1 4 -0.847600 15.9994 0 - 14291 H2O 4092 H2O H1 3 0.423800 1.0079 0 - 14292 H2O 4092 H2O H2 3 0.423800 1.0079 0 - 14293 H2O 4093 H2O O1 4 -0.847600 15.9994 0 - 14294 H2O 4093 H2O H1 3 0.423800 1.0079 0 - 14295 H2O 4093 H2O H2 3 0.423800 1.0079 0 - 14296 H2O 4094 H2O O1 4 -0.847600 15.9994 0 - 14297 H2O 4094 H2O H1 3 0.423800 1.0079 0 - 14298 H2O 4094 H2O H2 3 0.423800 1.0079 0 - 14299 H2O 4095 H2O O1 4 -0.847600 15.9994 0 - 14300 H2O 4095 H2O H1 3 0.423800 1.0079 0 - 14301 H2O 4095 H2O H2 3 0.423800 1.0079 0 - 14302 H2O 4096 H2O O1 4 -0.847600 15.9994 0 - 14303 H2O 4096 H2O H1 3 0.423800 1.0079 0 - 14304 H2O 4096 H2O H2 3 0.423800 1.0079 0 - 14305 H2O 4097 H2O O1 4 -0.847600 15.9994 0 - 14306 H2O 4097 H2O H1 3 0.423800 1.0079 0 - 14307 H2O 4097 H2O H2 3 0.423800 1.0079 0 - 14308 H2O 4098 H2O O1 4 -0.847600 15.9994 0 - 14309 H2O 4098 H2O H1 3 0.423800 1.0079 0 - 14310 H2O 4098 H2O H2 3 0.423800 1.0079 0 - 14311 H2O 4099 H2O O1 4 -0.847600 15.9994 0 - 14312 H2O 4099 H2O H1 3 0.423800 1.0079 0 - 14313 H2O 4099 H2O H2 3 0.423800 1.0079 0 - 14314 H2O 4100 H2O O1 4 -0.847600 15.9994 0 - 14315 H2O 4100 H2O H1 3 0.423800 1.0079 0 - 14316 H2O 4100 H2O H2 3 0.423800 1.0079 0 - 14317 H2O 4101 H2O O1 4 -0.847600 15.9994 0 - 14318 H2O 4101 H2O H1 3 0.423800 1.0079 0 - 14319 H2O 4101 H2O H2 3 0.423800 1.0079 0 - 14320 H2O 4102 H2O O1 4 -0.847600 15.9994 0 - 14321 H2O 4102 H2O H1 3 0.423800 1.0079 0 - 14322 H2O 4102 H2O H2 3 0.423800 1.0079 0 - 14323 H2O 4103 H2O O1 4 -0.847600 15.9994 0 - 14324 H2O 4103 H2O H1 3 0.423800 1.0079 0 - 14325 H2O 4103 H2O H2 3 0.423800 1.0079 0 - 14326 H2O 4104 H2O O1 4 -0.847600 15.9994 0 - 14327 H2O 4104 H2O H1 3 0.423800 1.0079 0 - 14328 H2O 4104 H2O H2 3 0.423800 1.0079 0 - 14329 H2O 4105 H2O O1 4 -0.847600 15.9994 0 - 14330 H2O 4105 H2O H1 3 0.423800 1.0079 0 - 14331 H2O 4105 H2O H2 3 0.423800 1.0079 0 - 14332 H2O 4106 H2O O1 4 -0.847600 15.9994 0 - 14333 H2O 4106 H2O H1 3 0.423800 1.0079 0 - 14334 H2O 4106 H2O H2 3 0.423800 1.0079 0 - 14335 H2O 4107 H2O O1 4 -0.847600 15.9994 0 - 14336 H2O 4107 H2O H1 3 0.423800 1.0079 0 - 14337 H2O 4107 H2O H2 3 0.423800 1.0079 0 - 14338 H2O 4108 H2O O1 4 -0.847600 15.9994 0 - 14339 H2O 4108 H2O H1 3 0.423800 1.0079 0 - 14340 H2O 4108 H2O H2 3 0.423800 1.0079 0 - 14341 H2O 4109 H2O O1 4 -0.847600 15.9994 0 - 14342 H2O 4109 H2O H1 3 0.423800 1.0079 0 - 14343 H2O 4109 H2O H2 3 0.423800 1.0079 0 - 14344 H2O 4110 H2O O1 4 -0.847600 15.9994 0 - 14345 H2O 4110 H2O H1 3 0.423800 1.0079 0 - 14346 H2O 4110 H2O H2 3 0.423800 1.0079 0 - 14347 H2O 4111 H2O O1 4 -0.847600 15.9994 0 - 14348 H2O 4111 H2O H1 3 0.423800 1.0079 0 - 14349 H2O 4111 H2O H2 3 0.423800 1.0079 0 - 14350 H2O 4112 H2O O1 4 -0.847600 15.9994 0 - 14351 H2O 4112 H2O H1 3 0.423800 1.0079 0 - 14352 H2O 4112 H2O H2 3 0.423800 1.0079 0 - 14353 H2O 4113 H2O O1 4 -0.847600 15.9994 0 - 14354 H2O 4113 H2O H1 3 0.423800 1.0079 0 - 14355 H2O 4113 H2O H2 3 0.423800 1.0079 0 - 14356 H2O 4114 H2O O1 4 -0.847600 15.9994 0 - 14357 H2O 4114 H2O H1 3 0.423800 1.0079 0 - 14358 H2O 4114 H2O H2 3 0.423800 1.0079 0 - 14359 H2O 4115 H2O O1 4 -0.847600 15.9994 0 - 14360 H2O 4115 H2O H1 3 0.423800 1.0079 0 - 14361 H2O 4115 H2O H2 3 0.423800 1.0079 0 - 14362 H2O 4116 H2O O1 4 -0.847600 15.9994 0 - 14363 H2O 4116 H2O H1 3 0.423800 1.0079 0 - 14364 H2O 4116 H2O H2 3 0.423800 1.0079 0 - 14365 H2O 4117 H2O O1 4 -0.847600 15.9994 0 - 14366 H2O 4117 H2O H1 3 0.423800 1.0079 0 - 14367 H2O 4117 H2O H2 3 0.423800 1.0079 0 - 14368 H2O 4118 H2O O1 4 -0.847600 15.9994 0 - 14369 H2O 4118 H2O H1 3 0.423800 1.0079 0 - 14370 H2O 4118 H2O H2 3 0.423800 1.0079 0 - 14371 H2O 4119 H2O O1 4 -0.847600 15.9994 0 - 14372 H2O 4119 H2O H1 3 0.423800 1.0079 0 - 14373 H2O 4119 H2O H2 3 0.423800 1.0079 0 - 14374 H2O 4120 H2O O1 4 -0.847600 15.9994 0 - 14375 H2O 4120 H2O H1 3 0.423800 1.0079 0 - 14376 H2O 4120 H2O H2 3 0.423800 1.0079 0 - 14377 H2O 4121 H2O O1 4 -0.847600 15.9994 0 - 14378 H2O 4121 H2O H1 3 0.423800 1.0079 0 - 14379 H2O 4121 H2O H2 3 0.423800 1.0079 0 - 14380 H2O 4122 H2O O1 4 -0.847600 15.9994 0 - 14381 H2O 4122 H2O H1 3 0.423800 1.0079 0 - 14382 H2O 4122 H2O H2 3 0.423800 1.0079 0 - 14383 H2O 4123 H2O O1 4 -0.847600 15.9994 0 - 14384 H2O 4123 H2O H1 3 0.423800 1.0079 0 - 14385 H2O 4123 H2O H2 3 0.423800 1.0079 0 - 14386 H2O 4124 H2O O1 4 -0.847600 15.9994 0 - 14387 H2O 4124 H2O H1 3 0.423800 1.0079 0 - 14388 H2O 4124 H2O H2 3 0.423800 1.0079 0 - 14389 H2O 4125 H2O O1 4 -0.847600 15.9994 0 - 14390 H2O 4125 H2O H1 3 0.423800 1.0079 0 - 14391 H2O 4125 H2O H2 3 0.423800 1.0079 0 - 14392 H2O 4126 H2O O1 4 -0.847600 15.9994 0 - 14393 H2O 4126 H2O H1 3 0.423800 1.0079 0 - 14394 H2O 4126 H2O H2 3 0.423800 1.0079 0 - 14395 H2O 4127 H2O O1 4 -0.847600 15.9994 0 - 14396 H2O 4127 H2O H1 3 0.423800 1.0079 0 - 14397 H2O 4127 H2O H2 3 0.423800 1.0079 0 - 14398 H2O 4128 H2O O1 4 -0.847600 15.9994 0 - 14399 H2O 4128 H2O H1 3 0.423800 1.0079 0 - 14400 H2O 4128 H2O H2 3 0.423800 1.0079 0 - 14401 H2O 4129 H2O O1 4 -0.847600 15.9994 0 - 14402 H2O 4129 H2O H1 3 0.423800 1.0079 0 - 14403 H2O 4129 H2O H2 3 0.423800 1.0079 0 - 14404 H2O 4130 H2O O1 4 -0.847600 15.9994 0 - 14405 H2O 4130 H2O H1 3 0.423800 1.0079 0 - 14406 H2O 4130 H2O H2 3 0.423800 1.0079 0 - 14407 H2O 4131 H2O O1 4 -0.847600 15.9994 0 - 14408 H2O 4131 H2O H1 3 0.423800 1.0079 0 - 14409 H2O 4131 H2O H2 3 0.423800 1.0079 0 - 14410 H2O 4132 H2O O1 4 -0.847600 15.9994 0 - 14411 H2O 4132 H2O H1 3 0.423800 1.0079 0 - 14412 H2O 4132 H2O H2 3 0.423800 1.0079 0 - 14413 H2O 4133 H2O O1 4 -0.847600 15.9994 0 - 14414 H2O 4133 H2O H1 3 0.423800 1.0079 0 - 14415 H2O 4133 H2O H2 3 0.423800 1.0079 0 - 14416 H2O 4134 H2O O1 4 -0.847600 15.9994 0 - 14417 H2O 4134 H2O H1 3 0.423800 1.0079 0 - 14418 H2O 4134 H2O H2 3 0.423800 1.0079 0 - 14419 H2O 4135 H2O O1 4 -0.847600 15.9994 0 - 14420 H2O 4135 H2O H1 3 0.423800 1.0079 0 - 14421 H2O 4135 H2O H2 3 0.423800 1.0079 0 - 14422 H2O 4136 H2O O1 4 -0.847600 15.9994 0 - 14423 H2O 4136 H2O H1 3 0.423800 1.0079 0 - 14424 H2O 4136 H2O H2 3 0.423800 1.0079 0 - 14425 H2O 4137 H2O O1 4 -0.847600 15.9994 0 - 14426 H2O 4137 H2O H1 3 0.423800 1.0079 0 - 14427 H2O 4137 H2O H2 3 0.423800 1.0079 0 - 14428 H2O 4138 H2O O1 4 -0.847600 15.9994 0 - 14429 H2O 4138 H2O H1 3 0.423800 1.0079 0 - 14430 H2O 4138 H2O H2 3 0.423800 1.0079 0 - 14431 H2O 4139 H2O O1 4 -0.847600 15.9994 0 - 14432 H2O 4139 H2O H1 3 0.423800 1.0079 0 - 14433 H2O 4139 H2O H2 3 0.423800 1.0079 0 - 14434 H2O 4140 H2O O1 4 -0.847600 15.9994 0 - 14435 H2O 4140 H2O H1 3 0.423800 1.0079 0 - 14436 H2O 4140 H2O H2 3 0.423800 1.0079 0 - 14437 H2O 4141 H2O O1 4 -0.847600 15.9994 0 - 14438 H2O 4141 H2O H1 3 0.423800 1.0079 0 - 14439 H2O 4141 H2O H2 3 0.423800 1.0079 0 - 14440 H2O 4142 H2O O1 4 -0.847600 15.9994 0 - 14441 H2O 4142 H2O H1 3 0.423800 1.0079 0 - 14442 H2O 4142 H2O H2 3 0.423800 1.0079 0 - 14443 H2O 4143 H2O O1 4 -0.847600 15.9994 0 - 14444 H2O 4143 H2O H1 3 0.423800 1.0079 0 - 14445 H2O 4143 H2O H2 3 0.423800 1.0079 0 - 14446 H2O 4144 H2O O1 4 -0.847600 15.9994 0 - 14447 H2O 4144 H2O H1 3 0.423800 1.0079 0 - 14448 H2O 4144 H2O H2 3 0.423800 1.0079 0 - 14449 H2O 4145 H2O O1 4 -0.847600 15.9994 0 - 14450 H2O 4145 H2O H1 3 0.423800 1.0079 0 - 14451 H2O 4145 H2O H2 3 0.423800 1.0079 0 - 14452 H2O 4146 H2O O1 4 -0.847600 15.9994 0 - 14453 H2O 4146 H2O H1 3 0.423800 1.0079 0 - 14454 H2O 4146 H2O H2 3 0.423800 1.0079 0 - 14455 H2O 4147 H2O O1 4 -0.847600 15.9994 0 - 14456 H2O 4147 H2O H1 3 0.423800 1.0079 0 - 14457 H2O 4147 H2O H2 3 0.423800 1.0079 0 - 14458 H2O 4148 H2O O1 4 -0.847600 15.9994 0 - 14459 H2O 4148 H2O H1 3 0.423800 1.0079 0 - 14460 H2O 4148 H2O H2 3 0.423800 1.0079 0 - 14461 H2O 4149 H2O O1 4 -0.847600 15.9994 0 - 14462 H2O 4149 H2O H1 3 0.423800 1.0079 0 - 14463 H2O 4149 H2O H2 3 0.423800 1.0079 0 - 14464 H2O 4150 H2O O1 4 -0.847600 15.9994 0 - 14465 H2O 4150 H2O H1 3 0.423800 1.0079 0 - 14466 H2O 4150 H2O H2 3 0.423800 1.0079 0 - 14467 H2O 4151 H2O O1 4 -0.847600 15.9994 0 - 14468 H2O 4151 H2O H1 3 0.423800 1.0079 0 - 14469 H2O 4151 H2O H2 3 0.423800 1.0079 0 - 14470 H2O 4152 H2O O1 4 -0.847600 15.9994 0 - 14471 H2O 4152 H2O H1 3 0.423800 1.0079 0 - 14472 H2O 4152 H2O H2 3 0.423800 1.0079 0 - 14473 H2O 4153 H2O O1 4 -0.847600 15.9994 0 - 14474 H2O 4153 H2O H1 3 0.423800 1.0079 0 - 14475 H2O 4153 H2O H2 3 0.423800 1.0079 0 - 14476 H2O 4154 H2O O1 4 -0.847600 15.9994 0 - 14477 H2O 4154 H2O H1 3 0.423800 1.0079 0 - 14478 H2O 4154 H2O H2 3 0.423800 1.0079 0 - 14479 H2O 4155 H2O O1 4 -0.847600 15.9994 0 - 14480 H2O 4155 H2O H1 3 0.423800 1.0079 0 - 14481 H2O 4155 H2O H2 3 0.423800 1.0079 0 - 14482 H2O 4156 H2O O1 4 -0.847600 15.9994 0 - 14483 H2O 4156 H2O H1 3 0.423800 1.0079 0 - 14484 H2O 4156 H2O H2 3 0.423800 1.0079 0 - 14485 H2O 4157 H2O O1 4 -0.847600 15.9994 0 - 14486 H2O 4157 H2O H1 3 0.423800 1.0079 0 - 14487 H2O 4157 H2O H2 3 0.423800 1.0079 0 - 14488 H2O 4158 H2O O1 4 -0.847600 15.9994 0 - 14489 H2O 4158 H2O H1 3 0.423800 1.0079 0 - 14490 H2O 4158 H2O H2 3 0.423800 1.0079 0 - 14491 H2O 4159 H2O O1 4 -0.847600 15.9994 0 - 14492 H2O 4159 H2O H1 3 0.423800 1.0079 0 - 14493 H2O 4159 H2O H2 3 0.423800 1.0079 0 - 14494 H2O 4160 H2O O1 4 -0.847600 15.9994 0 - 14495 H2O 4160 H2O H1 3 0.423800 1.0079 0 - 14496 H2O 4160 H2O H2 3 0.423800 1.0079 0 - 14497 H2O 4161 H2O O1 4 -0.847600 15.9994 0 - 14498 H2O 4161 H2O H1 3 0.423800 1.0079 0 - 14499 H2O 4161 H2O H2 3 0.423800 1.0079 0 - 14500 H2O 4162 H2O O1 4 -0.847600 15.9994 0 - 14501 H2O 4162 H2O H1 3 0.423800 1.0079 0 - 14502 H2O 4162 H2O H2 3 0.423800 1.0079 0 - 14503 H2O 4163 H2O O1 4 -0.847600 15.9994 0 - 14504 H2O 4163 H2O H1 3 0.423800 1.0079 0 - 14505 H2O 4163 H2O H2 3 0.423800 1.0079 0 - 14506 H2O 4164 H2O O1 4 -0.847600 15.9994 0 - 14507 H2O 4164 H2O H1 3 0.423800 1.0079 0 - 14508 H2O 4164 H2O H2 3 0.423800 1.0079 0 - 14509 H2O 4165 H2O O1 4 -0.847600 15.9994 0 - 14510 H2O 4165 H2O H1 3 0.423800 1.0079 0 - 14511 H2O 4165 H2O H2 3 0.423800 1.0079 0 - 14512 H2O 4166 H2O O1 4 -0.847600 15.9994 0 - 14513 H2O 4166 H2O H1 3 0.423800 1.0079 0 - 14514 H2O 4166 H2O H2 3 0.423800 1.0079 0 - 14515 H2O 4167 H2O O1 4 -0.847600 15.9994 0 - 14516 H2O 4167 H2O H1 3 0.423800 1.0079 0 - 14517 H2O 4167 H2O H2 3 0.423800 1.0079 0 - 14518 H2O 4168 H2O O1 4 -0.847600 15.9994 0 - 14519 H2O 4168 H2O H1 3 0.423800 1.0079 0 - 14520 H2O 4168 H2O H2 3 0.423800 1.0079 0 - 14521 H2O 4169 H2O O1 4 -0.847600 15.9994 0 - 14522 H2O 4169 H2O H1 3 0.423800 1.0079 0 - 14523 H2O 4169 H2O H2 3 0.423800 1.0079 0 - 14524 H2O 4170 H2O O1 4 -0.847600 15.9994 0 - 14525 H2O 4170 H2O H1 3 0.423800 1.0079 0 - 14526 H2O 4170 H2O H2 3 0.423800 1.0079 0 - 14527 H2O 4171 H2O O1 4 -0.847600 15.9994 0 - 14528 H2O 4171 H2O H1 3 0.423800 1.0079 0 - 14529 H2O 4171 H2O H2 3 0.423800 1.0079 0 - 14530 H2O 4172 H2O O1 4 -0.847600 15.9994 0 - 14531 H2O 4172 H2O H1 3 0.423800 1.0079 0 - 14532 H2O 4172 H2O H2 3 0.423800 1.0079 0 - 14533 H2O 4173 H2O O1 4 -0.847600 15.9994 0 - 14534 H2O 4173 H2O H1 3 0.423800 1.0079 0 - 14535 H2O 4173 H2O H2 3 0.423800 1.0079 0 - 14536 H2O 4174 H2O O1 4 -0.847600 15.9994 0 - 14537 H2O 4174 H2O H1 3 0.423800 1.0079 0 - 14538 H2O 4174 H2O H2 3 0.423800 1.0079 0 - 14539 H2O 4175 H2O O1 4 -0.847600 15.9994 0 - 14540 H2O 4175 H2O H1 3 0.423800 1.0079 0 - 14541 H2O 4175 H2O H2 3 0.423800 1.0079 0 - 14542 H2O 4176 H2O O1 4 -0.847600 15.9994 0 - 14543 H2O 4176 H2O H1 3 0.423800 1.0079 0 - 14544 H2O 4176 H2O H2 3 0.423800 1.0079 0 - 14545 H2O 4177 H2O O1 4 -0.847600 15.9994 0 - 14546 H2O 4177 H2O H1 3 0.423800 1.0079 0 - 14547 H2O 4177 H2O H2 3 0.423800 1.0079 0 - 14548 H2O 4178 H2O O1 4 -0.847600 15.9994 0 - 14549 H2O 4178 H2O H1 3 0.423800 1.0079 0 - 14550 H2O 4178 H2O H2 3 0.423800 1.0079 0 - 14551 H2O 4179 H2O O1 4 -0.847600 15.9994 0 - 14552 H2O 4179 H2O H1 3 0.423800 1.0079 0 - 14553 H2O 4179 H2O H2 3 0.423800 1.0079 0 - 14554 H2O 4180 H2O O1 4 -0.847600 15.9994 0 - 14555 H2O 4180 H2O H1 3 0.423800 1.0079 0 - 14556 H2O 4180 H2O H2 3 0.423800 1.0079 0 - 14557 H2O 4181 H2O O1 4 -0.847600 15.9994 0 - 14558 H2O 4181 H2O H1 3 0.423800 1.0079 0 - 14559 H2O 4181 H2O H2 3 0.423800 1.0079 0 - 14560 H2O 4182 H2O O1 4 -0.847600 15.9994 0 - 14561 H2O 4182 H2O H1 3 0.423800 1.0079 0 - 14562 H2O 4182 H2O H2 3 0.423800 1.0079 0 - 14563 H2O 4183 H2O O1 4 -0.847600 15.9994 0 - 14564 H2O 4183 H2O H1 3 0.423800 1.0079 0 - 14565 H2O 4183 H2O H2 3 0.423800 1.0079 0 - 14566 H2O 4184 H2O O1 4 -0.847600 15.9994 0 - 14567 H2O 4184 H2O H1 3 0.423800 1.0079 0 - 14568 H2O 4184 H2O H2 3 0.423800 1.0079 0 - 14569 H2O 4185 H2O O1 4 -0.847600 15.9994 0 - 14570 H2O 4185 H2O H1 3 0.423800 1.0079 0 - 14571 H2O 4185 H2O H2 3 0.423800 1.0079 0 - 14572 H2O 4186 H2O O1 4 -0.847600 15.9994 0 - 14573 H2O 4186 H2O H1 3 0.423800 1.0079 0 - 14574 H2O 4186 H2O H2 3 0.423800 1.0079 0 - 14575 H2O 4187 H2O O1 4 -0.847600 15.9994 0 - 14576 H2O 4187 H2O H1 3 0.423800 1.0079 0 - 14577 H2O 4187 H2O H2 3 0.423800 1.0079 0 - 14578 H2O 4188 H2O O1 4 -0.847600 15.9994 0 - 14579 H2O 4188 H2O H1 3 0.423800 1.0079 0 - 14580 H2O 4188 H2O H2 3 0.423800 1.0079 0 - 14581 H2O 4189 H2O O1 4 -0.847600 15.9994 0 - 14582 H2O 4189 H2O H1 3 0.423800 1.0079 0 - 14583 H2O 4189 H2O H2 3 0.423800 1.0079 0 - 14584 H2O 4190 H2O O1 4 -0.847600 15.9994 0 - 14585 H2O 4190 H2O H1 3 0.423800 1.0079 0 - 14586 H2O 4190 H2O H2 3 0.423800 1.0079 0 - 14587 H2O 4191 H2O O1 4 -0.847600 15.9994 0 - 14588 H2O 4191 H2O H1 3 0.423800 1.0079 0 - 14589 H2O 4191 H2O H2 3 0.423800 1.0079 0 - 14590 H2O 4192 H2O O1 4 -0.847600 15.9994 0 - 14591 H2O 4192 H2O H1 3 0.423800 1.0079 0 - 14592 H2O 4192 H2O H2 3 0.423800 1.0079 0 - 14593 H2O 4193 H2O O1 4 -0.847600 15.9994 0 - 14594 H2O 4193 H2O H1 3 0.423800 1.0079 0 - 14595 H2O 4193 H2O H2 3 0.423800 1.0079 0 - 14596 H2O 4194 H2O O1 4 -0.847600 15.9994 0 - 14597 H2O 4194 H2O H1 3 0.423800 1.0079 0 - 14598 H2O 4194 H2O H2 3 0.423800 1.0079 0 - 14599 H2O 4195 H2O O1 4 -0.847600 15.9994 0 - 14600 H2O 4195 H2O H1 3 0.423800 1.0079 0 - 14601 H2O 4195 H2O H2 3 0.423800 1.0079 0 - 14602 H2O 4196 H2O O1 4 -0.847600 15.9994 0 - 14603 H2O 4196 H2O H1 3 0.423800 1.0079 0 - 14604 H2O 4196 H2O H2 3 0.423800 1.0079 0 - 14605 H2O 4197 H2O O1 4 -0.847600 15.9994 0 - 14606 H2O 4197 H2O H1 3 0.423800 1.0079 0 - 14607 H2O 4197 H2O H2 3 0.423800 1.0079 0 - 14608 H2O 4198 H2O O1 4 -0.847600 15.9994 0 - 14609 H2O 4198 H2O H1 3 0.423800 1.0079 0 - 14610 H2O 4198 H2O H2 3 0.423800 1.0079 0 - 14611 H2O 4199 H2O O1 4 -0.847600 15.9994 0 - 14612 H2O 4199 H2O H1 3 0.423800 1.0079 0 - 14613 H2O 4199 H2O H2 3 0.423800 1.0079 0 - 14614 H2O 4200 H2O O1 4 -0.847600 15.9994 0 - 14615 H2O 4200 H2O H1 3 0.423800 1.0079 0 - 14616 H2O 4200 H2O H2 3 0.423800 1.0079 0 - 14617 H2O 4201 H2O O1 4 -0.847600 15.9994 0 - 14618 H2O 4201 H2O H1 3 0.423800 1.0079 0 - 14619 H2O 4201 H2O H2 3 0.423800 1.0079 0 - 14620 H2O 4202 H2O O1 4 -0.847600 15.9994 0 - 14621 H2O 4202 H2O H1 3 0.423800 1.0079 0 - 14622 H2O 4202 H2O H2 3 0.423800 1.0079 0 - 14623 H2O 4203 H2O O1 4 -0.847600 15.9994 0 - 14624 H2O 4203 H2O H1 3 0.423800 1.0079 0 - 14625 H2O 4203 H2O H2 3 0.423800 1.0079 0 - 14626 H2O 4204 H2O O1 4 -0.847600 15.9994 0 - 14627 H2O 4204 H2O H1 3 0.423800 1.0079 0 - 14628 H2O 4204 H2O H2 3 0.423800 1.0079 0 - 14629 H2O 4205 H2O O1 4 -0.847600 15.9994 0 - 14630 H2O 4205 H2O H1 3 0.423800 1.0079 0 - 14631 H2O 4205 H2O H2 3 0.423800 1.0079 0 - 14632 H2O 4206 H2O O1 4 -0.847600 15.9994 0 - 14633 H2O 4206 H2O H1 3 0.423800 1.0079 0 - 14634 H2O 4206 H2O H2 3 0.423800 1.0079 0 - 14635 H2O 4207 H2O O1 4 -0.847600 15.9994 0 - 14636 H2O 4207 H2O H1 3 0.423800 1.0079 0 - 14637 H2O 4207 H2O H2 3 0.423800 1.0079 0 - 14638 H2O 4208 H2O O1 4 -0.847600 15.9994 0 - 14639 H2O 4208 H2O H1 3 0.423800 1.0079 0 - 14640 H2O 4208 H2O H2 3 0.423800 1.0079 0 - 14641 H2O 4209 H2O O1 4 -0.847600 15.9994 0 - 14642 H2O 4209 H2O H1 3 0.423800 1.0079 0 - 14643 H2O 4209 H2O H2 3 0.423800 1.0079 0 - 14644 H2O 4210 H2O O1 4 -0.847600 15.9994 0 - 14645 H2O 4210 H2O H1 3 0.423800 1.0079 0 - 14646 H2O 4210 H2O H2 3 0.423800 1.0079 0 - 14647 H2O 4211 H2O O1 4 -0.847600 15.9994 0 - 14648 H2O 4211 H2O H1 3 0.423800 1.0079 0 - 14649 H2O 4211 H2O H2 3 0.423800 1.0079 0 - 14650 H2O 4212 H2O O1 4 -0.847600 15.9994 0 - 14651 H2O 4212 H2O H1 3 0.423800 1.0079 0 - 14652 H2O 4212 H2O H2 3 0.423800 1.0079 0 - 14653 H2O 4213 H2O O1 4 -0.847600 15.9994 0 - 14654 H2O 4213 H2O H1 3 0.423800 1.0079 0 - 14655 H2O 4213 H2O H2 3 0.423800 1.0079 0 - 14656 H2O 4214 H2O O1 4 -0.847600 15.9994 0 - 14657 H2O 4214 H2O H1 3 0.423800 1.0079 0 - 14658 H2O 4214 H2O H2 3 0.423800 1.0079 0 - 14659 H2O 4215 H2O O1 4 -0.847600 15.9994 0 - 14660 H2O 4215 H2O H1 3 0.423800 1.0079 0 - 14661 H2O 4215 H2O H2 3 0.423800 1.0079 0 - 14662 H2O 4216 H2O O1 4 -0.847600 15.9994 0 - 14663 H2O 4216 H2O H1 3 0.423800 1.0079 0 - 14664 H2O 4216 H2O H2 3 0.423800 1.0079 0 - 14665 H2O 4217 H2O O1 4 -0.847600 15.9994 0 - 14666 H2O 4217 H2O H1 3 0.423800 1.0079 0 - 14667 H2O 4217 H2O H2 3 0.423800 1.0079 0 - 14668 H2O 4218 H2O O1 4 -0.847600 15.9994 0 - 14669 H2O 4218 H2O H1 3 0.423800 1.0079 0 - 14670 H2O 4218 H2O H2 3 0.423800 1.0079 0 - 14671 H2O 4219 H2O O1 4 -0.847600 15.9994 0 - 14672 H2O 4219 H2O H1 3 0.423800 1.0079 0 - 14673 H2O 4219 H2O H2 3 0.423800 1.0079 0 - 14674 H2O 4220 H2O O1 4 -0.847600 15.9994 0 - 14675 H2O 4220 H2O H1 3 0.423800 1.0079 0 - 14676 H2O 4220 H2O H2 3 0.423800 1.0079 0 - 14677 H2O 4221 H2O O1 4 -0.847600 15.9994 0 - 14678 H2O 4221 H2O H1 3 0.423800 1.0079 0 - 14679 H2O 4221 H2O H2 3 0.423800 1.0079 0 - 14680 H2O 4222 H2O O1 4 -0.847600 15.9994 0 - 14681 H2O 4222 H2O H1 3 0.423800 1.0079 0 - 14682 H2O 4222 H2O H2 3 0.423800 1.0079 0 - 14683 H2O 4223 H2O O1 4 -0.847600 15.9994 0 - 14684 H2O 4223 H2O H1 3 0.423800 1.0079 0 - 14685 H2O 4223 H2O H2 3 0.423800 1.0079 0 - 14686 H2O 4224 H2O O1 4 -0.847600 15.9994 0 - 14687 H2O 4224 H2O H1 3 0.423800 1.0079 0 - 14688 H2O 4224 H2O H2 3 0.423800 1.0079 0 - 14689 H2O 4225 H2O O1 4 -0.847600 15.9994 0 - 14690 H2O 4225 H2O H1 3 0.423800 1.0079 0 - 14691 H2O 4225 H2O H2 3 0.423800 1.0079 0 - 14692 H2O 4226 H2O O1 4 -0.847600 15.9994 0 - 14693 H2O 4226 H2O H1 3 0.423800 1.0079 0 - 14694 H2O 4226 H2O H2 3 0.423800 1.0079 0 - 14695 H2O 4227 H2O O1 4 -0.847600 15.9994 0 - 14696 H2O 4227 H2O H1 3 0.423800 1.0079 0 - 14697 H2O 4227 H2O H2 3 0.423800 1.0079 0 - 14698 H2O 4228 H2O O1 4 -0.847600 15.9994 0 - 14699 H2O 4228 H2O H1 3 0.423800 1.0079 0 - 14700 H2O 4228 H2O H2 3 0.423800 1.0079 0 - 14701 H2O 4229 H2O O1 4 -0.847600 15.9994 0 - 14702 H2O 4229 H2O H1 3 0.423800 1.0079 0 - 14703 H2O 4229 H2O H2 3 0.423800 1.0079 0 - 14704 H2O 4230 H2O O1 4 -0.847600 15.9994 0 - 14705 H2O 4230 H2O H1 3 0.423800 1.0079 0 - 14706 H2O 4230 H2O H2 3 0.423800 1.0079 0 - 14707 H2O 4231 H2O O1 4 -0.847600 15.9994 0 - 14708 H2O 4231 H2O H1 3 0.423800 1.0079 0 - 14709 H2O 4231 H2O H2 3 0.423800 1.0079 0 - 14710 H2O 4232 H2O O1 4 -0.847600 15.9994 0 - 14711 H2O 4232 H2O H1 3 0.423800 1.0079 0 - 14712 H2O 4232 H2O H2 3 0.423800 1.0079 0 - 14713 H2O 4233 H2O O1 4 -0.847600 15.9994 0 - 14714 H2O 4233 H2O H1 3 0.423800 1.0079 0 - 14715 H2O 4233 H2O H2 3 0.423800 1.0079 0 - 14716 H2O 4234 H2O O1 4 -0.847600 15.9994 0 - 14717 H2O 4234 H2O H1 3 0.423800 1.0079 0 - 14718 H2O 4234 H2O H2 3 0.423800 1.0079 0 - 14719 H2O 4235 H2O O1 4 -0.847600 15.9994 0 - 14720 H2O 4235 H2O H1 3 0.423800 1.0079 0 - 14721 H2O 4235 H2O H2 3 0.423800 1.0079 0 - 14722 H2O 4236 H2O O1 4 -0.847600 15.9994 0 - 14723 H2O 4236 H2O H1 3 0.423800 1.0079 0 - 14724 H2O 4236 H2O H2 3 0.423800 1.0079 0 - 14725 H2O 4237 H2O O1 4 -0.847600 15.9994 0 - 14726 H2O 4237 H2O H1 3 0.423800 1.0079 0 - 14727 H2O 4237 H2O H2 3 0.423800 1.0079 0 - 14728 H2O 4238 H2O O1 4 -0.847600 15.9994 0 - 14729 H2O 4238 H2O H1 3 0.423800 1.0079 0 - 14730 H2O 4238 H2O H2 3 0.423800 1.0079 0 - 14731 H2O 4239 H2O O1 4 -0.847600 15.9994 0 - 14732 H2O 4239 H2O H1 3 0.423800 1.0079 0 - 14733 H2O 4239 H2O H2 3 0.423800 1.0079 0 - 14734 H2O 4240 H2O O1 4 -0.847600 15.9994 0 - 14735 H2O 4240 H2O H1 3 0.423800 1.0079 0 - 14736 H2O 4240 H2O H2 3 0.423800 1.0079 0 - 14737 H2O 4241 H2O O1 4 -0.847600 15.9994 0 - 14738 H2O 4241 H2O H1 3 0.423800 1.0079 0 - 14739 H2O 4241 H2O H2 3 0.423800 1.0079 0 - 14740 H2O 4242 H2O O1 4 -0.847600 15.9994 0 - 14741 H2O 4242 H2O H1 3 0.423800 1.0079 0 - 14742 H2O 4242 H2O H2 3 0.423800 1.0079 0 - 14743 H2O 4243 H2O O1 4 -0.847600 15.9994 0 - 14744 H2O 4243 H2O H1 3 0.423800 1.0079 0 - 14745 H2O 4243 H2O H2 3 0.423800 1.0079 0 - 14746 H2O 4244 H2O O1 4 -0.847600 15.9994 0 - 14747 H2O 4244 H2O H1 3 0.423800 1.0079 0 - 14748 H2O 4244 H2O H2 3 0.423800 1.0079 0 - 14749 H2O 4245 H2O O1 4 -0.847600 15.9994 0 - 14750 H2O 4245 H2O H1 3 0.423800 1.0079 0 - 14751 H2O 4245 H2O H2 3 0.423800 1.0079 0 - 14752 H2O 4246 H2O O1 4 -0.847600 15.9994 0 - 14753 H2O 4246 H2O H1 3 0.423800 1.0079 0 - 14754 H2O 4246 H2O H2 3 0.423800 1.0079 0 - 14755 H2O 4247 H2O O1 4 -0.847600 15.9994 0 - 14756 H2O 4247 H2O H1 3 0.423800 1.0079 0 - 14757 H2O 4247 H2O H2 3 0.423800 1.0079 0 - 14758 H2O 4248 H2O O1 4 -0.847600 15.9994 0 - 14759 H2O 4248 H2O H1 3 0.423800 1.0079 0 - 14760 H2O 4248 H2O H2 3 0.423800 1.0079 0 - 14761 H2O 4249 H2O O1 4 -0.847600 15.9994 0 - 14762 H2O 4249 H2O H1 3 0.423800 1.0079 0 - 14763 H2O 4249 H2O H2 3 0.423800 1.0079 0 - 14764 H2O 4250 H2O O1 4 -0.847600 15.9994 0 - 14765 H2O 4250 H2O H1 3 0.423800 1.0079 0 - 14766 H2O 4250 H2O H2 3 0.423800 1.0079 0 - 14767 H2O 4251 H2O O1 4 -0.847600 15.9994 0 - 14768 H2O 4251 H2O H1 3 0.423800 1.0079 0 - 14769 H2O 4251 H2O H2 3 0.423800 1.0079 0 - 14770 H2O 4252 H2O O1 4 -0.847600 15.9994 0 - 14771 H2O 4252 H2O H1 3 0.423800 1.0079 0 - 14772 H2O 4252 H2O H2 3 0.423800 1.0079 0 - 14773 H2O 4253 H2O O1 4 -0.847600 15.9994 0 - 14774 H2O 4253 H2O H1 3 0.423800 1.0079 0 - 14775 H2O 4253 H2O H2 3 0.423800 1.0079 0 - 14776 H2O 4254 H2O O1 4 -0.847600 15.9994 0 - 14777 H2O 4254 H2O H1 3 0.423800 1.0079 0 - 14778 H2O 4254 H2O H2 3 0.423800 1.0079 0 - 14779 H2O 4255 H2O O1 4 -0.847600 15.9994 0 - 14780 H2O 4255 H2O H1 3 0.423800 1.0079 0 - 14781 H2O 4255 H2O H2 3 0.423800 1.0079 0 - 14782 H2O 4256 H2O O1 4 -0.847600 15.9994 0 - 14783 H2O 4256 H2O H1 3 0.423800 1.0079 0 - 14784 H2O 4256 H2O H2 3 0.423800 1.0079 0 - 14785 H2O 4257 H2O O1 4 -0.847600 15.9994 0 - 14786 H2O 4257 H2O H1 3 0.423800 1.0079 0 - 14787 H2O 4257 H2O H2 3 0.423800 1.0079 0 - 14788 H2O 4258 H2O O1 4 -0.847600 15.9994 0 - 14789 H2O 4258 H2O H1 3 0.423800 1.0079 0 - 14790 H2O 4258 H2O H2 3 0.423800 1.0079 0 - 14791 H2O 4259 H2O O1 4 -0.847600 15.9994 0 - 14792 H2O 4259 H2O H1 3 0.423800 1.0079 0 - 14793 H2O 4259 H2O H2 3 0.423800 1.0079 0 - 14794 H2O 4260 H2O O1 4 -0.847600 15.9994 0 - 14795 H2O 4260 H2O H1 3 0.423800 1.0079 0 - 14796 H2O 4260 H2O H2 3 0.423800 1.0079 0 - 14797 H2O 4261 H2O O1 4 -0.847600 15.9994 0 - 14798 H2O 4261 H2O H1 3 0.423800 1.0079 0 - 14799 H2O 4261 H2O H2 3 0.423800 1.0079 0 - 14800 H2O 4262 H2O O1 4 -0.847600 15.9994 0 - 14801 H2O 4262 H2O H1 3 0.423800 1.0079 0 - 14802 H2O 4262 H2O H2 3 0.423800 1.0079 0 - 14803 H2O 4263 H2O O1 4 -0.847600 15.9994 0 - 14804 H2O 4263 H2O H1 3 0.423800 1.0079 0 - 14805 H2O 4263 H2O H2 3 0.423800 1.0079 0 - 14806 H2O 4264 H2O O1 4 -0.847600 15.9994 0 - 14807 H2O 4264 H2O H1 3 0.423800 1.0079 0 - 14808 H2O 4264 H2O H2 3 0.423800 1.0079 0 - 14809 H2O 4265 H2O O1 4 -0.847600 15.9994 0 - 14810 H2O 4265 H2O H1 3 0.423800 1.0079 0 - 14811 H2O 4265 H2O H2 3 0.423800 1.0079 0 - 14812 H2O 4266 H2O O1 4 -0.847600 15.9994 0 - 14813 H2O 4266 H2O H1 3 0.423800 1.0079 0 - 14814 H2O 4266 H2O H2 3 0.423800 1.0079 0 - 14815 H2O 4267 H2O O1 4 -0.847600 15.9994 0 - 14816 H2O 4267 H2O H1 3 0.423800 1.0079 0 - 14817 H2O 4267 H2O H2 3 0.423800 1.0079 0 - 14818 H2O 4268 H2O O1 4 -0.847600 15.9994 0 - 14819 H2O 4268 H2O H1 3 0.423800 1.0079 0 - 14820 H2O 4268 H2O H2 3 0.423800 1.0079 0 - 14821 H2O 4269 H2O O1 4 -0.847600 15.9994 0 - 14822 H2O 4269 H2O H1 3 0.423800 1.0079 0 - 14823 H2O 4269 H2O H2 3 0.423800 1.0079 0 - 14824 H2O 4270 H2O O1 4 -0.847600 15.9994 0 - 14825 H2O 4270 H2O H1 3 0.423800 1.0079 0 - 14826 H2O 4270 H2O H2 3 0.423800 1.0079 0 - 14827 H2O 4271 H2O O1 4 -0.847600 15.9994 0 - 14828 H2O 4271 H2O H1 3 0.423800 1.0079 0 - 14829 H2O 4271 H2O H2 3 0.423800 1.0079 0 - 14830 H2O 4272 H2O O1 4 -0.847600 15.9994 0 - 14831 H2O 4272 H2O H1 3 0.423800 1.0079 0 - 14832 H2O 4272 H2O H2 3 0.423800 1.0079 0 - 14833 H2O 4273 H2O O1 4 -0.847600 15.9994 0 - 14834 H2O 4273 H2O H1 3 0.423800 1.0079 0 - 14835 H2O 4273 H2O H2 3 0.423800 1.0079 0 - 14836 H2O 4274 H2O O1 4 -0.847600 15.9994 0 - 14837 H2O 4274 H2O H1 3 0.423800 1.0079 0 - 14838 H2O 4274 H2O H2 3 0.423800 1.0079 0 - 14839 H2O 4275 H2O O1 4 -0.847600 15.9994 0 - 14840 H2O 4275 H2O H1 3 0.423800 1.0079 0 - 14841 H2O 4275 H2O H2 3 0.423800 1.0079 0 - 14842 H2O 4276 H2O O1 4 -0.847600 15.9994 0 - 14843 H2O 4276 H2O H1 3 0.423800 1.0079 0 - 14844 H2O 4276 H2O H2 3 0.423800 1.0079 0 - 14845 H2O 4277 H2O O1 4 -0.847600 15.9994 0 - 14846 H2O 4277 H2O H1 3 0.423800 1.0079 0 - 14847 H2O 4277 H2O H2 3 0.423800 1.0079 0 - 14848 H2O 4278 H2O O1 4 -0.847600 15.9994 0 - 14849 H2O 4278 H2O H1 3 0.423800 1.0079 0 - 14850 H2O 4278 H2O H2 3 0.423800 1.0079 0 - 14851 H2O 4279 H2O O1 4 -0.847600 15.9994 0 - 14852 H2O 4279 H2O H1 3 0.423800 1.0079 0 - 14853 H2O 4279 H2O H2 3 0.423800 1.0079 0 - 14854 H2O 4280 H2O O1 4 -0.847600 15.9994 0 - 14855 H2O 4280 H2O H1 3 0.423800 1.0079 0 - 14856 H2O 4280 H2O H2 3 0.423800 1.0079 0 - 14857 H2O 4281 H2O O1 4 -0.847600 15.9994 0 - 14858 H2O 4281 H2O H1 3 0.423800 1.0079 0 - 14859 H2O 4281 H2O H2 3 0.423800 1.0079 0 - 14860 H2O 4282 H2O O1 4 -0.847600 15.9994 0 - 14861 H2O 4282 H2O H1 3 0.423800 1.0079 0 - 14862 H2O 4282 H2O H2 3 0.423800 1.0079 0 - 14863 H2O 4283 H2O O1 4 -0.847600 15.9994 0 - 14864 H2O 4283 H2O H1 3 0.423800 1.0079 0 - 14865 H2O 4283 H2O H2 3 0.423800 1.0079 0 - 14866 H2O 4284 H2O O1 4 -0.847600 15.9994 0 - 14867 H2O 4284 H2O H1 3 0.423800 1.0079 0 - 14868 H2O 4284 H2O H2 3 0.423800 1.0079 0 - 14869 H2O 4285 H2O O1 4 -0.847600 15.9994 0 - 14870 H2O 4285 H2O H1 3 0.423800 1.0079 0 - 14871 H2O 4285 H2O H2 3 0.423800 1.0079 0 - 14872 H2O 4286 H2O O1 4 -0.847600 15.9994 0 - 14873 H2O 4286 H2O H1 3 0.423800 1.0079 0 - 14874 H2O 4286 H2O H2 3 0.423800 1.0079 0 - 14875 H2O 4287 H2O O1 4 -0.847600 15.9994 0 - 14876 H2O 4287 H2O H1 3 0.423800 1.0079 0 - 14877 H2O 4287 H2O H2 3 0.423800 1.0079 0 - 14878 H2O 4288 H2O O1 4 -0.847600 15.9994 0 - 14879 H2O 4288 H2O H1 3 0.423800 1.0079 0 - 14880 H2O 4288 H2O H2 3 0.423800 1.0079 0 - 14881 H2O 4289 H2O O1 4 -0.847600 15.9994 0 - 14882 H2O 4289 H2O H1 3 0.423800 1.0079 0 - 14883 H2O 4289 H2O H2 3 0.423800 1.0079 0 - 14884 H2O 4290 H2O O1 4 -0.847600 15.9994 0 - 14885 H2O 4290 H2O H1 3 0.423800 1.0079 0 - 14886 H2O 4290 H2O H2 3 0.423800 1.0079 0 - 14887 H2O 4291 H2O O1 4 -0.847600 15.9994 0 - 14888 H2O 4291 H2O H1 3 0.423800 1.0079 0 - 14889 H2O 4291 H2O H2 3 0.423800 1.0079 0 - 14890 H2O 4292 H2O O1 4 -0.847600 15.9994 0 - 14891 H2O 4292 H2O H1 3 0.423800 1.0079 0 - 14892 H2O 4292 H2O H2 3 0.423800 1.0079 0 - 14893 H2O 4293 H2O O1 4 -0.847600 15.9994 0 - 14894 H2O 4293 H2O H1 3 0.423800 1.0079 0 - 14895 H2O 4293 H2O H2 3 0.423800 1.0079 0 - 14896 H2O 4294 H2O O1 4 -0.847600 15.9994 0 - 14897 H2O 4294 H2O H1 3 0.423800 1.0079 0 - 14898 H2O 4294 H2O H2 3 0.423800 1.0079 0 - 14899 H2O 4295 H2O O1 4 -0.847600 15.9994 0 - 14900 H2O 4295 H2O H1 3 0.423800 1.0079 0 - 14901 H2O 4295 H2O H2 3 0.423800 1.0079 0 - 14902 H2O 4296 H2O O1 4 -0.847600 15.9994 0 - 14903 H2O 4296 H2O H1 3 0.423800 1.0079 0 - 14904 H2O 4296 H2O H2 3 0.423800 1.0079 0 - 14905 H2O 4297 H2O O1 4 -0.847600 15.9994 0 - 14906 H2O 4297 H2O H1 3 0.423800 1.0079 0 - 14907 H2O 4297 H2O H2 3 0.423800 1.0079 0 - 14908 H2O 4298 H2O O1 4 -0.847600 15.9994 0 - 14909 H2O 4298 H2O H1 3 0.423800 1.0079 0 - 14910 H2O 4298 H2O H2 3 0.423800 1.0079 0 - 14911 H2O 4299 H2O O1 4 -0.847600 15.9994 0 - 14912 H2O 4299 H2O H1 3 0.423800 1.0079 0 - 14913 H2O 4299 H2O H2 3 0.423800 1.0079 0 - 14914 H2O 4300 H2O O1 4 -0.847600 15.9994 0 - 14915 H2O 4300 H2O H1 3 0.423800 1.0079 0 - 14916 H2O 4300 H2O H2 3 0.423800 1.0079 0 - 14917 H2O 4301 H2O O1 4 -0.847600 15.9994 0 - 14918 H2O 4301 H2O H1 3 0.423800 1.0079 0 - 14919 H2O 4301 H2O H2 3 0.423800 1.0079 0 - 14920 H2O 4302 H2O O1 4 -0.847600 15.9994 0 - 14921 H2O 4302 H2O H1 3 0.423800 1.0079 0 - 14922 H2O 4302 H2O H2 3 0.423800 1.0079 0 - 14923 H2O 4303 H2O O1 4 -0.847600 15.9994 0 - 14924 H2O 4303 H2O H1 3 0.423800 1.0079 0 - 14925 H2O 4303 H2O H2 3 0.423800 1.0079 0 - 14926 H2O 4304 H2O O1 4 -0.847600 15.9994 0 - 14927 H2O 4304 H2O H1 3 0.423800 1.0079 0 - 14928 H2O 4304 H2O H2 3 0.423800 1.0079 0 - 14929 H2O 4305 H2O O1 4 -0.847600 15.9994 0 - 14930 H2O 4305 H2O H1 3 0.423800 1.0079 0 - 14931 H2O 4305 H2O H2 3 0.423800 1.0079 0 - 14932 H2O 4306 H2O O1 4 -0.847600 15.9994 0 - 14933 H2O 4306 H2O H1 3 0.423800 1.0079 0 - 14934 H2O 4306 H2O H2 3 0.423800 1.0079 0 - 14935 H2O 4307 H2O O1 4 -0.847600 15.9994 0 - 14936 H2O 4307 H2O H1 3 0.423800 1.0079 0 - 14937 H2O 4307 H2O H2 3 0.423800 1.0079 0 - 14938 H2O 4308 H2O O1 4 -0.847600 15.9994 0 - 14939 H2O 4308 H2O H1 3 0.423800 1.0079 0 - 14940 H2O 4308 H2O H2 3 0.423800 1.0079 0 - 14941 H2O 4309 H2O O1 4 -0.847600 15.9994 0 - 14942 H2O 4309 H2O H1 3 0.423800 1.0079 0 - 14943 H2O 4309 H2O H2 3 0.423800 1.0079 0 - 14944 H2O 4310 H2O O1 4 -0.847600 15.9994 0 - 14945 H2O 4310 H2O H1 3 0.423800 1.0079 0 - 14946 H2O 4310 H2O H2 3 0.423800 1.0079 0 - 14947 H2O 4311 H2O O1 4 -0.847600 15.9994 0 - 14948 H2O 4311 H2O H1 3 0.423800 1.0079 0 - 14949 H2O 4311 H2O H2 3 0.423800 1.0079 0 - 14950 H2O 4312 H2O O1 4 -0.847600 15.9994 0 - 14951 H2O 4312 H2O H1 3 0.423800 1.0079 0 - 14952 H2O 4312 H2O H2 3 0.423800 1.0079 0 - 14953 H2O 4313 H2O O1 4 -0.847600 15.9994 0 - 14954 H2O 4313 H2O H1 3 0.423800 1.0079 0 - 14955 H2O 4313 H2O H2 3 0.423800 1.0079 0 - 14956 H2O 4314 H2O O1 4 -0.847600 15.9994 0 - 14957 H2O 4314 H2O H1 3 0.423800 1.0079 0 - 14958 H2O 4314 H2O H2 3 0.423800 1.0079 0 - 14959 H2O 4315 H2O O1 4 -0.847600 15.9994 0 - 14960 H2O 4315 H2O H1 3 0.423800 1.0079 0 - 14961 H2O 4315 H2O H2 3 0.423800 1.0079 0 - 14962 H2O 4316 H2O O1 4 -0.847600 15.9994 0 - 14963 H2O 4316 H2O H1 3 0.423800 1.0079 0 - 14964 H2O 4316 H2O H2 3 0.423800 1.0079 0 - 14965 H2O 4317 H2O O1 4 -0.847600 15.9994 0 - 14966 H2O 4317 H2O H1 3 0.423800 1.0079 0 - 14967 H2O 4317 H2O H2 3 0.423800 1.0079 0 - 14968 H2O 4318 H2O O1 4 -0.847600 15.9994 0 - 14969 H2O 4318 H2O H1 3 0.423800 1.0079 0 - 14970 H2O 4318 H2O H2 3 0.423800 1.0079 0 - 14971 H2O 4319 H2O O1 4 -0.847600 15.9994 0 - 14972 H2O 4319 H2O H1 3 0.423800 1.0079 0 - 14973 H2O 4319 H2O H2 3 0.423800 1.0079 0 - 14974 H2O 4320 H2O O1 4 -0.847600 15.9994 0 - 14975 H2O 4320 H2O H1 3 0.423800 1.0079 0 - 14976 H2O 4320 H2O H2 3 0.423800 1.0079 0 - 14977 H2O 4321 H2O O1 4 -0.847600 15.9994 0 - 14978 H2O 4321 H2O H1 3 0.423800 1.0079 0 - 14979 H2O 4321 H2O H2 3 0.423800 1.0079 0 - 14980 H2O 4322 H2O O1 4 -0.847600 15.9994 0 - 14981 H2O 4322 H2O H1 3 0.423800 1.0079 0 - 14982 H2O 4322 H2O H2 3 0.423800 1.0079 0 - 14983 H2O 4323 H2O O1 4 -0.847600 15.9994 0 - 14984 H2O 4323 H2O H1 3 0.423800 1.0079 0 - 14985 H2O 4323 H2O H2 3 0.423800 1.0079 0 - 14986 H2O 4324 H2O O1 4 -0.847600 15.9994 0 - 14987 H2O 4324 H2O H1 3 0.423800 1.0079 0 - 14988 H2O 4324 H2O H2 3 0.423800 1.0079 0 - 14989 H2O 4325 H2O O1 4 -0.847600 15.9994 0 - 14990 H2O 4325 H2O H1 3 0.423800 1.0079 0 - 14991 H2O 4325 H2O H2 3 0.423800 1.0079 0 - 14992 H2O 4326 H2O O1 4 -0.847600 15.9994 0 - 14993 H2O 4326 H2O H1 3 0.423800 1.0079 0 - 14994 H2O 4326 H2O H2 3 0.423800 1.0079 0 - 14995 H2O 4327 H2O O1 4 -0.847600 15.9994 0 - 14996 H2O 4327 H2O H1 3 0.423800 1.0079 0 - 14997 H2O 4327 H2O H2 3 0.423800 1.0079 0 - 14998 H2O 4328 H2O O1 4 -0.847600 15.9994 0 - 14999 H2O 4328 H2O H1 3 0.423800 1.0079 0 - 15000 H2O 4328 H2O H2 3 0.423800 1.0079 0 - 15001 H2O 4329 H2O O1 4 -0.847600 15.9994 0 - 15002 H2O 4329 H2O H1 3 0.423800 1.0079 0 - 15003 H2O 4329 H2O H2 3 0.423800 1.0079 0 - 15004 H2O 4330 H2O O1 4 -0.847600 15.9994 0 - 15005 H2O 4330 H2O H1 3 0.423800 1.0079 0 - 15006 H2O 4330 H2O H2 3 0.423800 1.0079 0 - 15007 H2O 4331 H2O O1 4 -0.847600 15.9994 0 - 15008 H2O 4331 H2O H1 3 0.423800 1.0079 0 - 15009 H2O 4331 H2O H2 3 0.423800 1.0079 0 - - 8662 !NBOND: bonds - 2017 2019 2017 2018 2020 2022 2020 2021 - 2023 2025 2023 2024 2026 2028 2026 2027 - 2029 2031 2029 2030 2032 2034 2032 2033 - 2035 2037 2035 2036 2038 2040 2038 2039 - 2041 2043 2041 2042 2044 2046 2044 2045 - 2047 2049 2047 2048 2050 2052 2050 2051 - 2053 2055 2053 2054 2056 2058 2056 2057 - 2059 2061 2059 2060 2062 2064 2062 2063 - 2065 2067 2065 2066 2068 2070 2068 2069 - 2071 2073 2071 2072 2074 2076 2074 2075 - 2077 2079 2077 2078 2080 2082 2080 2081 - 2083 2085 2083 2084 2086 2088 2086 2087 - 2089 2091 2089 2090 2092 2094 2092 2093 - 2095 2097 2095 2096 2098 2100 2098 2099 - 2101 2103 2101 2102 2104 2106 2104 2105 - 2107 2109 2107 2108 2110 2112 2110 2111 - 2113 2115 2113 2114 2116 2118 2116 2117 - 2119 2121 2119 2120 2122 2124 2122 2123 - 2125 2127 2125 2126 2128 2130 2128 2129 - 2131 2133 2131 2132 2134 2136 2134 2135 - 2137 2139 2137 2138 2140 2142 2140 2141 - 2143 2145 2143 2144 2146 2148 2146 2147 - 2149 2151 2149 2150 2152 2154 2152 2153 - 2155 2157 2155 2156 2158 2160 2158 2159 - 2161 2163 2161 2162 2164 2166 2164 2165 - 2167 2169 2167 2168 2170 2172 2170 2171 - 2173 2175 2173 2174 2176 2178 2176 2177 - 2179 2181 2179 2180 2182 2184 2182 2183 - 2185 2187 2185 2186 2188 2190 2188 2189 - 2191 2193 2191 2192 2194 2196 2194 2195 - 2197 2199 2197 2198 2200 2202 2200 2201 - 2203 2205 2203 2204 2206 2208 2206 2207 - 2209 2211 2209 2210 2212 2214 2212 2213 - 2215 2217 2215 2216 2218 2220 2218 2219 - 2221 2223 2221 2222 2224 2226 2224 2225 - 2227 2229 2227 2228 2230 2232 2230 2231 - 2233 2235 2233 2234 2236 2238 2236 2237 - 2239 2241 2239 2240 2242 2244 2242 2243 - 2245 2247 2245 2246 2248 2250 2248 2249 - 2251 2253 2251 2252 2254 2256 2254 2255 - 2257 2259 2257 2258 2260 2262 2260 2261 - 2263 2265 2263 2264 2266 2268 2266 2267 - 2269 2271 2269 2270 2272 2274 2272 2273 - 2275 2277 2275 2276 2278 2280 2278 2279 - 2281 2283 2281 2282 2284 2286 2284 2285 - 2287 2289 2287 2288 2290 2292 2290 2291 - 2293 2295 2293 2294 2296 2298 2296 2297 - 2299 2301 2299 2300 2302 2304 2302 2303 - 2305 2307 2305 2306 2308 2310 2308 2309 - 2311 2313 2311 2312 2314 2316 2314 2315 - 2317 2319 2317 2318 2320 2322 2320 2321 - 2323 2325 2323 2324 2326 2328 2326 2327 - 2329 2331 2329 2330 2332 2334 2332 2333 - 2335 2337 2335 2336 2338 2340 2338 2339 - 2341 2343 2341 2342 2344 2346 2344 2345 - 2347 2349 2347 2348 2350 2352 2350 2351 - 2353 2355 2353 2354 2356 2358 2356 2357 - 2359 2361 2359 2360 2362 2364 2362 2363 - 2365 2367 2365 2366 2368 2370 2368 2369 - 2371 2373 2371 2372 2374 2376 2374 2375 - 2377 2379 2377 2378 2380 2382 2380 2381 - 2383 2385 2383 2384 2386 2388 2386 2387 - 2389 2391 2389 2390 2392 2394 2392 2393 - 2395 2397 2395 2396 2398 2400 2398 2399 - 2401 2403 2401 2402 2404 2406 2404 2405 - 2407 2409 2407 2408 2410 2412 2410 2411 - 2413 2415 2413 2414 2416 2418 2416 2417 - 2419 2421 2419 2420 2422 2424 2422 2423 - 2425 2427 2425 2426 2428 2430 2428 2429 - 2431 2433 2431 2432 2434 2436 2434 2435 - 2437 2439 2437 2438 2440 2442 2440 2441 - 2443 2445 2443 2444 2446 2448 2446 2447 - 2449 2451 2449 2450 2452 2454 2452 2453 - 2455 2457 2455 2456 2458 2460 2458 2459 - 2461 2463 2461 2462 2464 2466 2464 2465 - 2467 2469 2467 2468 2470 2472 2470 2471 - 2473 2475 2473 2474 2476 2478 2476 2477 - 2479 2481 2479 2480 2482 2484 2482 2483 - 2485 2487 2485 2486 2488 2490 2488 2489 - 2491 2493 2491 2492 2494 2496 2494 2495 - 2497 2499 2497 2498 2500 2502 2500 2501 - 2503 2505 2503 2504 2506 2508 2506 2507 - 2509 2511 2509 2510 2512 2514 2512 2513 - 2515 2517 2515 2516 2518 2520 2518 2519 - 2521 2523 2521 2522 2524 2526 2524 2525 - 2527 2529 2527 2528 2530 2532 2530 2531 - 2533 2535 2533 2534 2536 2538 2536 2537 - 2539 2541 2539 2540 2542 2544 2542 2543 - 2545 2547 2545 2546 2548 2550 2548 2549 - 2551 2553 2551 2552 2554 2556 2554 2555 - 2557 2559 2557 2558 2560 2562 2560 2561 - 2563 2565 2563 2564 2566 2568 2566 2567 - 2569 2571 2569 2570 2572 2574 2572 2573 - 2575 2577 2575 2576 2578 2580 2578 2579 - 2581 2583 2581 2582 2584 2586 2584 2585 - 2587 2589 2587 2588 2590 2592 2590 2591 - 2593 2595 2593 2594 2596 2598 2596 2597 - 2599 2601 2599 2600 2602 2604 2602 2603 - 2605 2607 2605 2606 2608 2610 2608 2609 - 2611 2613 2611 2612 2614 2616 2614 2615 - 2617 2619 2617 2618 2620 2622 2620 2621 - 2623 2625 2623 2624 2626 2628 2626 2627 - 2629 2631 2629 2630 2632 2634 2632 2633 - 2635 2637 2635 2636 2638 2640 2638 2639 - 2641 2643 2641 2642 2644 2646 2644 2645 - 2647 2649 2647 2648 2650 2652 2650 2651 - 2653 2655 2653 2654 2656 2658 2656 2657 - 2659 2661 2659 2660 2662 2664 2662 2663 - 2665 2667 2665 2666 2668 2670 2668 2669 - 2671 2673 2671 2672 2674 2676 2674 2675 - 2677 2679 2677 2678 2680 2682 2680 2681 - 2683 2685 2683 2684 2686 2688 2686 2687 - 2689 2691 2689 2690 2692 2694 2692 2693 - 2695 2697 2695 2696 2698 2700 2698 2699 - 2701 2703 2701 2702 2704 2706 2704 2705 - 2707 2709 2707 2708 2710 2712 2710 2711 - 2713 2715 2713 2714 2716 2718 2716 2717 - 2719 2721 2719 2720 2722 2724 2722 2723 - 2725 2727 2725 2726 2728 2730 2728 2729 - 2731 2733 2731 2732 2734 2736 2734 2735 - 2737 2739 2737 2738 2740 2742 2740 2741 - 2743 2745 2743 2744 2746 2748 2746 2747 - 2749 2751 2749 2750 2752 2754 2752 2753 - 2755 2757 2755 2756 2758 2760 2758 2759 - 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14918 14917 14919 14921 14920 14922 - 14924 14923 14925 14927 14926 14928 14930 14929 14931 - 14933 14932 14934 14936 14935 14937 14939 14938 14940 - 14942 14941 14943 14945 14944 14946 14948 14947 14949 - 14951 14950 14952 14954 14953 14955 14957 14956 14958 - 14960 14959 14961 14963 14962 14964 14966 14965 14967 - 14969 14968 14970 14972 14971 14973 14975 14974 14976 - 14978 14977 14979 14981 14980 14982 14984 14983 14985 - 14987 14986 14988 14990 14989 14991 14993 14992 14994 - 14996 14995 14997 14999 14998 15000 15002 15001 15003 - 15005 15004 15006 15008 15007 15009 - - 0 !NPHI: dihedrals - - diff --git a/simulations/equilb_boxes/3x3x2.0nm_3-layer/gomc/u_n_3769/slit_water_GCMC.conf b/simulations/equilb_boxes/3x3x2.0nm_3-layer/gomc/u_n_3769/slit_water_GCMC.conf deleted file mode 100644 index b54ec31..0000000 --- a/simulations/equilb_boxes/3x3x2.0nm_3-layer/gomc/u_n_3769/slit_water_GCMC.conf +++ /dev/null @@ -1,175 +0,0 @@ -######################## -#Control file for Graphene-water adsorption in graphene slit -######################## - -############################################################################ -# ========-------------------- INPUT --------------------------=========== -############################################################################ - -######################### -# enable, step -######################### -Restart false - -#################################### -# kind {RESTART, RANDOM, INTSEED} -#################################### -PRNG RANDOM - -#################################### -# FORCE FIELD -#################################### -ParaTypeCHARMM true - -Parameters ../../../../ads_equilb_pdb_psf_FF/gomc/GOMC_pore_water_FF.inp -#################################### -# INPUT PDB FILES -#################################### - -Coordinates 0 ../../../../ads_equilb_pdb_psf_FF/gomc/pore_3x3x2.0nm_3-layer.pdb -Coordinates 1 ../../../../ads_equilb_pdb_psf_FF/gomc/GOMC_reservior_box.pdb -#################################### -# INPUT PSF FILES -#################################### - -Structure 0 ../../../../ads_equilb_pdb_psf_FF/gomc/pore_3x3x2.0nm_3-layer.psf -Structure 1 ../../../../ads_equilb_pdb_psf_FF/gomc/GOMC_reservior_box.psf - - - -############################################################################ -# =======--------------------- SYSTEM --------------------------=========== -############################################################################ -################################## -# GEMC TYPE (DEFULT IS NVT_GEMC) -################################## - -############################# -# SIMULATION CONDITION -############################# -Temperature 298 -Potential VDW -LRC false -Rcut 9 -Exclude 1-4 - -############################# -# ELECTROSTATIC -############################# -Ewald true -ElectroStatic true -CachedFourier true -Tolerance 0.00001 -1-4scaling 1.0 - -RcutCoulomb 0 9 -RcutCoulomb 1 9 - -############################### -# PRESSURE CALCULATION -################################ -PressureCalc true 1000000 - -################################ -# STEPS -################################ -RunSteps 50000000 -EqSteps 1000000 -AdjSteps 1000 - -################################ -# MOVE FREQUENCY -################################ -#VolFreq 0.01 -#DisFreq 0.20 -#RotFreq 0.10 -#RegrowthFreq 0.10 -#IntraSwapFreq 0.10 -#IntraMEMC-2Freq 0.10 -#SwapFreq 0.20 -#MEMC-2Freq 0.20 - -DisFreq 0.15 -RotFreq 0.15 -SwapFreq 0.50 -RegrowthFreq 0.10 -IntraSwapFreq 0.10 - -############################### -# MEMC PARAMETER -############################### -ExchangeVolumeDim 1.0 1.0 1.0 -ExchangeRatio 1 1 -ExchangeLargeKind H2O h2o -ExchangeSmallKind h2o H2O -LargeKindBackBone O1 H1 O1 H1 -SmallKindBackBone O1 H1 O1 H1 - -################################ -# BOX DIMENSION #, X, Y, Z -################################ -CellBasisVector1 0 29.472 0.00 0.00 #29.472 -CellBasisVector2 0 0.00 29.777 0.00 #29.777 -CellBasisVector3 0 0.00 0.00 36.750 # = 36.750 - -CellBasisVector1 1 60 0.00 0.00 -CellBasisVector2 1 0.00 60 0.00 -CellBasisVector3 1 0.00 0.00 60 - - - -############################## -# CBMC TRIALS -############################## -CBMC_First 16 -CBMC_Nth 8 -CBMC_Ang 100 -CBMC_Dih 100 - -#################################### -# Mol. Name Chem. Pot. -#################################### -ChemPot H2O -3769 -#ChemPot h2o 0.00 -#ChemPot Gra 0.00 -ChemPot TOP 0.00 -ChemPot BOT 0.00 - -############################################################################ -# =======-------------------- OUTPUT --------------------------=========== -############################################################################ - -########################## -# statistics filename add -########################## -OutputName Output_data - -##################################### -# enable, frequency -##################################### -RestartFreq true 1000000 -CheckpointFreq true 1000000 -CoordinatesFreq true 1000000 -ConsoleFreq true 200000 -BlockAverageFreq true 1000000 -HistogramFreq true 200000 - -################################ -# OutHistSettings -################################ -DistName dis -HistName his -RunNumber 1 -RunLetter a -SampleFreq 500 - -################################## -# enable: blk avg., fluct. -################################## -OutEnergy true true -OutPressure true true -OutMolNum true true -OutDensity true true -OutVolume true true -OutSurfaceTention false false - diff --git a/simulations/equilb_boxes/3x3x2.0nm_3-layer/gomc/u_n_3769/wp_eq_20A.sh b/simulations/equilb_boxes/3x3x2.0nm_3-layer/gomc/u_n_3769/wp_eq_20A.sh deleted file mode 100644 index d7601ad..0000000 --- a/simulations/equilb_boxes/3x3x2.0nm_3-layer/gomc/u_n_3769/wp_eq_20A.sh +++ /dev/null @@ -1,21 +0,0 @@ -#!/bin/bash - -#SBATCH --job-name 20A_equil -#SBATCH -q primary -#SBATCH -N 1 -#SBATCH -n 8 -#SBATCH --mem=16G -#SBATCH --constraint=intel -#SBATCH --mail-type=ALL -#SBATCH --mail-user=bc118@wayne.edu -#SBATCH -o output_%j.out -#SBATCH -e errors_%j.err -#SBATCH -t 336:0:0 - -echo "Running on host" hostname -echo "Time is" date -module swap gnu7/7.3.0 intel/2019 - -cd /wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/equilb_boxes/3x3x2.0nm_3-layer/gomc/u_n_3769 - -/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_GCMC +p8 slit_water_GCMC.conf > slit_water_GCMC.dat diff --git a/simulations/surface/1x1x1.0nm_1-layer/gomc/NVT_build/NVT_build_pore_1x1x1.0nm_1-layer.py b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/NVT_build/NVT_build_pore_1x1x1.0nm_1-layer.py similarity index 85% rename from simulations/surface/1x1x1.0nm_1-layer/gomc/NVT_build/NVT_build_pore_1x1x1.0nm_1-layer.py rename to simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/NVT_build/NVT_build_pore_1x1x1.0nm_1-layer.py index b6286ed..67eaae2 100644 --- a/simulations/surface/1x1x1.0nm_1-layer/gomc/NVT_build/NVT_build_pore_1x1x1.0nm_1-layer.py +++ b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/NVT_build/NVT_build_pore_1x1x1.0nm_1-layer.py @@ -1,18 +1,19 @@ -from mbuild.recipes.porebuilder import GraphenePoreSolvent -from mbuild.recipes.porebuilder import GraphenePore +from mbuild import recipes import mbuild as mb from foyer import Forcefield import parmed.structure import foyer -import mbuild.formats.charmm_writer as mf_charmm +import sys +sys.path.append('../../../../../') +from mosdef_slitpore.utils import charmm_writer as mf_charmm Water_res_name = 'H2O' -FF_file = '../../../../../../mosdef_slitpore/ffxml/pore-spce.xml' +FF_file = '../../../../../mosdef_slitpore/ffxml/pore-spce.xml' water = mb.load('O', smiles=True) water.name = Water_res_name -water.energy_minimization(forcefield = FF_file , steps=10**9) +water.energy_minimize(forcefield = FF_file , steps=10**9) FF_Graphene_pore_w_solvent_water_Dict = {'H2O' : FF_file, 'BOT': FF_file, 'TOP': FF_file} @@ -34,7 +35,7 @@ n_waters = 24 -empty_graphene_pore = GraphenePore( pore_width=sheet_spacing , +empty_graphene_pore =recipes.GraphenePore( pore_width=sheet_spacing , pore_length=1.0 , pore_depth=1.1 , n_sheets=No_sheets, @@ -59,7 +60,7 @@ 'filled_pore_water_1x1x1.0nm_1-layer', structure_1 = None , filename_1 = None, - GOMC_FF_filename ="GOMC_pore_water_FF" , + FF_filename ="GOMC_pore_water_FF" , forcefield_files= FF_Graphene_pore_w_solvent_water_Dict , residues= residues_Graphene_pore_w_solvent_water_List , Bead_to_atom_name_dict = None, diff --git a/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/README.md b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/README.md new file mode 100644 index 0000000..b02b5a2 --- /dev/null +++ b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/README.md @@ -0,0 +1,95 @@ + +## Instructions to build and run the GOMC 1x1x1.0nm pore nvt-pore simulations: + +### GOMC nvt-pore runs in the 1x1x1.0nm graphene pore +The GOMC simulations in this folder simulate water in the 1x1x1.0nm graphene pore. The instructions recreating these simulations are provided below. + +Note: These simulations require setup simulations to gather all the data needed to select the correct number of waters. The number of water molecules is derived from the bulk-waters simulations and the adsorption simulations. The number of water molecules was determined from these simulations when the water vapor pressures divided by water's saturation pressure equals 1.6 (P/Psat =1.6). However, the calculated number of water molecules is included in the system build files, so the user can run these simulations without running the setup simulations. If the user wants to run and calculate the number of water themselves, they can, and they will need to modify the build files accordingly. + +### Step 1 : Activate the conda environment +1) Open a terminal window and activate the conda environment +* conda activate slitpore37 + + +### Step 2 : build the coordinate, topology, and force field files (PDB, PSF, and FF (.inp)) +1) Change the terminal window directory to the NVT_build directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/NVT_build). Assuming you are in the nvt-pore gomc directory (mosdef_slitpore/mosdef_slitpore/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc). +* cd NVT_build + +2) Run the python build script +* python NVT_build_pore_1x1x1.0nm_1-layer.py + + +### Step 3 : create the GOMC configuration files (.conf, and Slurm submission script (if needed)) +Note: The process is detailed for set1 below, which is the only set for these simulations. + +1) Change the terminal window directory to the set1 directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/set1). +* cd ../set1 + +2) Obtaining the explicit path, "full_path_to_GOMC_bin_folder". See the Additional Information Section, Process #2 below. +Note: For a laptop or Desktop, Process #1 in the Additional Information Section can also be used so the "full_path_to_GOMC_bin_folder" does not need to be specified, but it will need to be done every time you open a terminal window + +3) Modify the python script for your system (ONLY if are running this on an HPC using Slurm). If you are using HPC submission script other than Slurm, you will need to make your own HPC submission scripts. +Open the python file simbuild.py and change the following variables as needed. +Note: For the examples below, the quotes ("") in the "full_path_to_GOMC_bin_folder" are to specify that it is not the acutal folder name. Therefore, do not enter the quotes ("") in the "full_path_to_GOMC_bin_folder", just enter full_path_to_GOMC_bin_folder +* explicit_path_to_GOMC_executable_string = "full_path_to_GOMC_bin_folder" +* CPU_or_GPU = enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) +* module_load_command_1 = Add your HPC specific module command here as a string or set as None +* module_load_command_2 = Add your HPC specific module command here as a string or set as None +* module_load_command_3 = Add your HPC specific module command here as a string or set as None + +4) Run the python build script simbuild.py +* python simbuild.py + +5) Run the GOMC code. This will need to be done for each set and the 5 runs per set (1r1, 1r2, 1r3, 1r4, and 1r5). +The instructions below only show the process for set1's 1r1 folder or run. These instructions are only for running on a laptop or desktop. If you are submitting these runs to an HPC system, you will need to use the slurm's bash scripts (example: wp_NVT_10_1.sh), or use your specific HPC system submission format, and follow the HPC systems specific submission process. +See the Additional Information Section, Process #2, for more information on this GOMC run commands. Also, the HPC submission scripts (example: wp_NVT_10_1.sh) will have the suggested amount of cores to utilized (see the +p2 values). +* cd 1r1 +Run the code using the CPU: +* "full_path_to_GOMC_bin_folder"/GOMC_CPU_NVT +p2 in.conf > out.dat + +Alternatively, Run the code using the CPU/GPU: +* "full_path_to_GOMC_bin_folder"/GOMC_GPU_NVT +p2 in.conf > out.dat + + + +### Step 4 : Analyze the data +Change the directory to the analysis folder (mosdef_slitpore/mosdef_slitpore/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis). This can be done from the last step or from the main folder (mosdef_slitpore/mosdef_slitpore/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc). The analyis files will be printed in this analysis folder. +Option 1: from the last step +* cd ../../analysis +Option 2: from the main folder +* cd analysis +Run the two (2) python analysis scripts +Note: these python scripts can take alot of memory ~100 to 300 GB, so it is not recommended you run them on a typical laptop or desktop. +* python Get_No_density_for_all_runs.py +* python Get_order_parameter_s_for_all_runs_test.py + + + + + + + +## Additional Information: + +### Process 1 : Obtaining the a temporary path to the GOMC executable file (only works while you have that terminal window open) +How to set a temporary GOMC file path once GOMC is compiled +Note: the below would need to be completed every time you open a new terminal window. +Open a new terminal window and change the directory to the GOMC directory/folder, then run: +* ls ./bin +Add the GOMC bin folder to our path, so the executable file can be called without the full path infront of it (i.e., by GOMC_CPU_GCMC, GOMC_CPU_GEMC, or GOMC_CPU_NVT) +* LOC_GOMC="$(pwd)/bin" +* export PATH="${LOC_GOMC}:$PATH" + + +### Process 2 : Obtaining the explicit path, "full_path_to_GOMC_bin_folder", to the GOMC executable using the 'pwd' command, assuming you are already in the GOMC directory. +Open a new terminal window and change the directory to the GOMC directory/folder, then run: +* cd bin +The output in the terminal window after running the pwd command is the "full_path_to_GOMC_bin_folder" . +* pwd + +Note: For the examples below, the quotes ("") in the "full_path_to_GOMC_bin_folder" are to specify that this is not the acutal folder name. Therefore, do not enter the quotes ("") in the "full_path_to_GOMC_bin_folder", just enter full_path_to_GOMC_bin_folder +* Example 1: (GCMC executable path with executable file): "full_path_to_GOMC_bin_folder"/GOMC_CPU_GCMC ; + +* Example 2: (general GOMC executable path with executable file) : "full_path_to_GOMC_bin_folder"/GOMC_XXX_aaaa + +* Example 3: (terminal code to run GOMC with Y cores from the directory containing the in.conf file) : "full_path_to_GOMC_bin_folder"/GOMC_XXX_aaaa +pY in.conf > out.dat diff --git a/simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Average_No_Density_data_hw.csv b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/Average_No_Density_data_hw.csv similarity index 100% rename from simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Average_No_Density_data_hw.csv rename to simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/Average_No_Density_data_hw.csv diff --git a/simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Average_No_Density_data_hw.txt b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/Average_No_Density_data_hw.txt similarity index 100% rename from simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Average_No_Density_data_hw.txt rename to simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/Average_No_Density_data_hw.txt diff --git a/simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Average_No_Density_data_ow.csv b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/Average_No_Density_data_ow.csv similarity index 100% rename from simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Average_No_Density_data_ow.csv rename to simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/Average_No_Density_data_ow.csv diff --git a/simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Average_No_Density_data_ow.txt b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/Average_No_Density_data_ow.txt similarity index 100% rename from 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b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/Average_order_param.pdf new file mode 100644 index 0000000..092c826 Binary files /dev/null and b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/Average_order_param.pdf differ diff --git a/simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Average_order_param_data.csv b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/Average_order_param_data.csv similarity index 100% rename from simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Average_order_param_data.csv rename to simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/Average_order_param_data.csv diff --git a/simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Average_order_param_data.txt b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/Average_order_param_data.txt similarity index 100% rename from simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Average_order_param_data.txt rename to simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/Average_order_param_data.txt diff --git a/simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Get_No_density_for_all_runs.py b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/Get_No_density_for_all_runs.py similarity index 100% rename from simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Get_No_density_for_all_runs.py rename to simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/Get_No_density_for_all_runs.py diff --git a/simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Get_order_parameter_s_for_all_runs_test.py b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/Get_order_parameter_s_for_all_runs_test.py similarity index 100% rename from simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Get_order_parameter_s_for_all_runs_test.py rename to simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/Get_order_parameter_s_for_all_runs_test.py diff --git a/simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/main_files/analysis.py b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/main_files/analysis.py similarity index 100% rename from simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/main_files/analysis.py rename to simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/main_files/analysis.py diff --git a/simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/main_files/archive/calc_angle_distribution.py b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/main_files/archive/calc_angle_distribution.py similarity index 100% rename from simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/main_files/archive/calc_angle_distribution.py rename to simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/analysis/main_files/archive/calc_angle_distribution.py diff --git a/simulations/surface/1x1x1.0nm_1-layer/gomc/set1/input/in.conf b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/set1/input/in.conf similarity index 100% rename from simulations/surface/1x1x1.0nm_1-layer/gomc/set1/input/in.conf rename to simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/set1/input/in.conf diff --git a/simulations/surface/1x1x1.0nm_1-layer/gomc/set1/simbuild.py b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/set1/simbuild.py similarity index 60% rename from simulations/surface/1x1x1.0nm_1-layer/gomc/set1/simbuild.py rename to simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/set1/simbuild.py index eb6b129..abc13a9 100644 --- a/simulations/surface/1x1x1.0nm_1-layer/gomc/set1/simbuild.py +++ b/simulations/nvt-pore/1x1x1.0nm_1-layer/gomc/set1/simbuild.py @@ -7,12 +7,31 @@ -def write_slurm(file_out, task, Ncores,server_run_directory, newdir): - # SLURM boilerplate +#********************************************************* +# data to change if needed (start) +#********************************************************* + +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' + +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string + +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string +#********************************************************* +# data to change if needed (end) +#********************************************************* - NCPU = Ncores - NTASK = 2 +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate slurm = "#SBATCH" intro = "#!/bin/bash" @@ -23,14 +42,13 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): Line_6 = " --mem=16G" Line_7 = " --constraint=intel" Line_8 = ' --mail-type=ALL' - Line_9 = ' --mail-user=bc118@wayne.edu' Line_10 = " -o output_%j.out" Line_11 = " -e errors_%j.err" Line_12 = " -t 336:0:0" Line_13 = 'echo "Running on host" hostname' Line_14 = 'echo "Time is" date' - Line_15 = "module swap gnu7/7.3.0 intel/2019" + #goto_directory = os.getcwd() goto_directory = server_run_directory @@ -42,31 +60,71 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") file.write(slurm + Line_6 + "\n") - file.write(slurm+Line_7 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + file.write(slurm+Line_8 + "\n") - file.write(slurm+Line_9 + "\n") file.write(slurm+Line_10 + "\n") file.write(slurm+Line_11 + "\n") file.write(slurm + Line_12 + "\n\n") file.write(Line_13 + "\n") - file.write(Line_14 + "\n") - file.write(Line_15 + "\n\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + + + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_NVT' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 + + +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') + +else: + prog = executable_file +goto_directory = os.getcwd() +server_run_directory = goto_directory -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_NVT' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = '/wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/surface/1x1x1.0nm_1-layer/gomc/NVT/set1' job_name='wp_NVT_10' parameters='../../NVT_build/GOMC_pore_water_FF.inp' outputname = 'SPCE_PORE_NVT_10' diff --git a/simulations/surface/3x3x2.0nm_3-layer/gomc/NVT_build/NVT_build_pore_3x3x2.0nm_3-layer.py b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/NVT_build/NVT_build_pore_3x3x2.0nm_3-layer.py similarity index 74% rename from simulations/surface/3x3x2.0nm_3-layer/gomc/NVT_build/NVT_build_pore_3x3x2.0nm_3-layer.py rename to simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/NVT_build/NVT_build_pore_3x3x2.0nm_3-layer.py index 27d636c..3689655 100644 --- a/simulations/surface/3x3x2.0nm_3-layer/gomc/NVT_build/NVT_build_pore_3x3x2.0nm_3-layer.py +++ b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/NVT_build/NVT_build_pore_3x3x2.0nm_3-layer.py @@ -1,10 +1,11 @@ -from mbuild.recipes.porebuilder import GraphenePoreSolvent -from mbuild.recipes.porebuilder import GraphenePore +from mbuild import recipes import mbuild as mb from foyer import Forcefield import parmed.structure import foyer -import mbuild.formats.charmm_writer as mf_charmm +import sys +sys.path.append('../../../../../') +from mosdef_slitpore.utils import charmm_writer as mf_charmm #************************************************************** #************************************************************** # variables to change (start) @@ -12,13 +13,13 @@ #************************************************************** Water_res_name = 'H2O' -FF_file = '../../../../../../mosdef_slitpore/ffxml/pore-spce.xml' -FF_file_fake_water = '../../../../../../mosdef_slitpore/ffxml/FF_Fake_SPCE.xml' +FF_file = '../../../../../mosdef_slitpore/ffxml/pore-spce.xml' +FF_file_fake_water = '../../../../../mosdef_slitpore/ffxml/FF_Fake_SPCE.xml' water = mb.load('O', smiles=True) water.name = Water_res_name -water.energy_minimization(forcefield = FF_file , steps=10**9) +water.energy_minimize(forcefield = FF_file , steps=10**9) FF_Graphene_pore_w_solvent_Dict = {'H2O' : FF_file, 'BOT' : FF_file, 'TOP' : FF_file} residues_Graphene_pore_w_solvent_List = [ water.name, 'BOT', 'TOP'] @@ -43,7 +44,7 @@ n_waters = 485 -empty_graphene_pore = GraphenePore( pore_width=pore_width_nm , +empty_graphene_pore =recipes.GraphenePore( pore_width=pore_width_nm , pore_length=3.0, pore_depth=3.0, n_sheets=No_sheets, @@ -65,13 +66,13 @@ mf_charmm.charmm_psf_psb_FF(filled_pore, - 'filled_pore_water_3x3x2.0nm_3-layer', - structure_1 = None, - filename_1 = None, - GOMC_FF_filename ="GOMC_pore_water_FF" , - forcefield_files= FF_Graphene_pore_w_solvent_Dict , - residues=residues_Graphene_pore_w_solvent_List , - Bead_to_atom_name_dict = None, + 'filled_pore_water_3x3x2.0nm_3-layer', + structure_1 = None, + filename_1 = None, + FF_filename ="GOMC_pore_water_FF" , + forcefield_files= FF_Graphene_pore_w_solvent_Dict , + residues=residues_Graphene_pore_w_solvent_List , + Bead_to_atom_name_dict = None, fix_residue = Fix_Graphene_residue, fix_res_bonds_angles = Fix_bonds_angles_residues, reorder_res_in_pdb_psf = False diff --git a/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/README.md b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/README.md new file mode 100644 index 0000000..d765e28 --- /dev/null +++ b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/README.md @@ -0,0 +1,95 @@ + +## Instructions to build and run the GOMC 3x3x2.0nm pore nvt-pore simulations: + +### GOMC nvt-pore runs in the 3x3x2.0nm graphen pore +The GOMC simulations in this folder simulate water in the 3x3x2.0nm graphene pore. The instructions recreating these simulations are provided below. + +Note: These simulations require setup simulations to gather all the data needed to select the correct number of waters. The number of water molecules is derived from the bulk-waters simulations and the adsorption/desorption simulations (which were only conducted using the Cassandra engine). The number of water molecules was determined from these simulations when the water vapor pressures divided by water's saturation pressure equals 1.6 (P/Psat =1.6). However, the calculated number of water molecules is included in the system build files, so the user can run these simulations without running the setup simulations. If the user wants to run and calculate the number of water themselves, they can, and they will need to modify the build files accordingly. + +### Step 1 : Activate the conda environment +1) Open a terminal window and activate the conda environment +* conda activate slitpore37 + + +### Step 2 : build the coordinate, topology, and force field files (PDB, PSF, and FF (.inp)) +1) Change the terminal window directory to the NVT_build directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/NVT_build). Assuming you are in the nvt-pore gomc directory (mosdef_slitpore/mosdef_slitpore/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc). +* cd NVT_build + +2) Run the python build script +* python NVT_build_pore_3x3x2.0nm_3-layer.py + + +### Step 3 : create the GOMC configuration files (.conf, and Slurm submission script (if needed)) +Note: The process is detailed for set1 below, which is the only set for these simulations. + +1) Change the terminal window directory to the set1 directory (i.e., to mosdef_slitpore/mosdef_slitpore/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/set1). +* cd ../set1 + +2) Obtaining the explicit path, "full_path_to_GOMC_bin_folder". See the Additional Information Section, Process #2 below. +Note: For a laptop or Desktop, Process #1 in the Additional Information Section can also be used so the "full_path_to_GOMC_bin_folder" does not need to be specified, but it will need to be done every time you open a terminal window + +3) Modify the python script for your system (ONLY if are running this on an HPC using Slurm). If you are using HPC submission script other than Slurm, you will need to make your own HPC submission scripts. +Open the python file simbuild.py and change the following variables as needed. +Note: For the examples below, the quotes ("") in the "full_path_to_GOMC_bin_folder" are to specify that it is not the acutal folder name. Therefore, do not enter the quotes ("") in the "full_path_to_GOMC_bin_folder", just enter full_path_to_GOMC_bin_folder +* explicit_path_to_GOMC_executable_string = "full_path_to_GOMC_bin_folder" +* CPU_or_GPU = enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) +* module_load_command_1 = Add your HPC specific module command here as a string or set as None +* module_load_command_2 = Add your HPC specific module command here as a string or set as None +* module_load_command_3 = Add your HPC specific module command here as a string or set as None + +4) Run the python build script simbuild.py +* python simbuild.py + +5) Run the GOMC code. This will need to be done for each set and the 5 runs per set (1r1, 1r2, 1r3, 1r4, and 1r5). +The instructions below only show the process for set1's 1r1 folder or run. These instructions are only for running on a laptop or desktop. If you are submitting these runs to an HPC system, you will need to use the slurm's bash scripts (example: wp_NVT_20_1.sh), or use your specific HPC system submission format, and follow the HPC systems specific submission process. +See the Additional Information Section, Process #2, for more information on this GOMC run commands. Also, the HPC submission scripts (example: wp_NVT_20_1.sh) will have the suggested amount of cores to utilized (see the +p2 values). +* cd 1r1 +Run the code using the CPU: +* "full_path_to_GOMC_bin_folder"/GOMC_CPU_NVT +p2 in.conf > out.dat + +Alternatively, Run the code using the CPU/GPU: +* "full_path_to_GOMC_bin_folder"/GOMC_GPU_NVT +p2 in.conf > out.dat + + + +### Step 4 : Analyze the data +Change the directory to the analysis folder (mosdef_slitpore/mosdef_slitpore/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis). This can be done from the last step or from the main folder (mosdef_slitpore/mosdef_slitpore/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc). The analyis files will be printed in this analysis folder. +Option 1: from the last step +* cd ../../analysis +Option 2: from the main folder +* cd analysis +Run the two (2) python analysis scripts +Note: these python scripts can take alot of memory ~100 to 300 GB, so it is not recommended you run them on a typical laptop or desktop. +* python Get_No_density_for_all_runs.py +* python Get_order_factor_s_for_all_runs_test.py + + + + + + + +## Additional Information: + +### Process 1 : Obtaining the a temporary path to the GOMC executable file (only works while you have that terminal window open) +How to set a temporary GOMC file path once GOMC is compiled +Note: the below would need to be completed every time you open a new terminal window. +Open a new terminal window and change the directory to the GOMC directory/folder, then run: +* ls ./bin +Add the GOMC bin folder to our path, so the executable file can be called without the full path infront of it (i.e., by GOMC_CPU_GCMC, GOMC_CPU_GEMC, or GOMC_CPU_NVT) +* LOC_GOMC="$(pwd)/bin" +* export PATH="${LOC_GOMC}:$PATH" + + +### Process 2 : Obtaining the explicit path, "full_path_to_GOMC_bin_folder", to the GOMC executable using the 'pwd' command, assuming you are already in the GOMC directory. +Open a new terminal window and change the directory to the GOMC directory/folder, then run: +* cd bin +The output in the terminal window after running the pwd command is the "full_path_to_GOMC_bin_folder" . +* pwd + +Note: For the examples below, the quotes ("") in the "full_path_to_GOMC_bin_folder" are to specify that this is not the acutal folder name. Therefore, do not enter the quotes ("") in the "full_path_to_GOMC_bin_folder", just enter full_path_to_GOMC_bin_folder +* Example 1: (GCMC executable path with executable file): "full_path_to_GOMC_bin_folder"/GOMC_CPU_GCMC ; + +* Example 2: (general GOMC executable path with executable file) : "full_path_to_GOMC_bin_folder"/GOMC_XXX_aaaa + +* Example 3: (terminal code to run GOMC with Y cores from the directory containing the in.conf file) : "full_path_to_GOMC_bin_folder"/GOMC_XXX_aaaa +pY in.conf > out.dat diff --git a/simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_No_Density_data_hw.csv b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_No_Density_data_hw.csv similarity index 100% rename from simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_No_Density_data_hw.csv rename to simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_No_Density_data_hw.csv diff --git a/simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_No_Density_data_hw.txt b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_No_Density_data_hw.txt similarity index 100% rename from simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_No_Density_data_hw.txt rename to simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_No_Density_data_hw.txt diff --git a/simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_No_Density_data_ow.csv b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_No_Density_data_ow.csv similarity index 100% rename from simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_No_Density_data_ow.csv rename to simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_No_Density_data_ow.csv diff --git a/simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_No_Density_data_ow.txt b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_No_Density_data_ow.txt similarity index 100% rename from simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_No_Density_data_ow.txt rename to simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_No_Density_data_ow.txt diff --git a/simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_No_density_data_hw.pdf b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_No_density_data_hw.pdf similarity index 100% rename from simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_No_density_data_hw.pdf rename to simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_No_density_data_hw.pdf diff --git a/simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_No_density_data_ow.pdf b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_No_density_data_ow.pdf similarity index 100% rename from simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_No_density_data_ow.pdf rename to simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_No_density_data_ow.pdf diff --git a/simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_order_param.pdf b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_order_param.pdf similarity index 100% rename from simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_order_param.pdf rename to simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_order_param.pdf diff --git a/simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_order_param_data.csv b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_order_param_data.csv similarity index 100% rename from simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_order_param_data.csv rename to simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_order_param_data.csv diff --git a/simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_order_param_data.txt b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_order_param_data.txt similarity index 100% rename from simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Average_order_param_data.txt rename to simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Average_order_param_data.txt diff --git a/simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Get_No_density_for_all_runs.py b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Get_No_density_for_all_runs.py similarity index 100% rename from simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Get_No_density_for_all_runs.py rename to simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Get_No_density_for_all_runs.py diff --git a/simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Get_order_factor_s_for_all_runs_test.py b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Get_order_factor_s_for_all_runs_test.py similarity index 100% rename from simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/Get_order_factor_s_for_all_runs_test.py rename to simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/Get_order_factor_s_for_all_runs_test.py diff --git a/simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/main_files/analysis.py b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/main_files/analysis.py similarity index 100% rename from simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/main_files/analysis.py rename to simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/main_files/analysis.py diff --git a/simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/main_files/archive/calc_angle_distribution.py b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/main_files/archive/calc_angle_distribution.py similarity index 100% rename from simulations/surface/3x3x2.0nm_3-layer/gomc/analysis/main_files/archive/calc_angle_distribution.py rename to simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/analysis/main_files/archive/calc_angle_distribution.py diff --git a/simulations/surface/3x3x2.0nm_3-layer/gomc/set1/input/in.conf b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/set1/input/in.conf similarity index 100% rename from simulations/surface/3x3x2.0nm_3-layer/gomc/set1/input/in.conf rename to simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/set1/input/in.conf diff --git a/simulations/surface/3x3x2.0nm_3-layer/gomc/set1/simbuild.py b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/set1/simbuild.py similarity index 60% rename from simulations/surface/3x3x2.0nm_3-layer/gomc/set1/simbuild.py rename to simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/set1/simbuild.py index c1196d9..b33deb6 100644 --- a/simulations/surface/3x3x2.0nm_3-layer/gomc/set1/simbuild.py +++ b/simulations/nvt-pore/3x3x2.0nm_3-layer/gomc/set1/simbuild.py @@ -6,11 +6,31 @@ import numpy as np +#********************************************************* +# data to change if needed (start) +#********************************************************* -def write_slurm(file_out, task, Ncores,server_run_directory, newdir): - # SLURM boilerplate +explicit_path_to_GOMC_executable_string = None +# if explicit_path_to_GOMC_executable_string = None, it assumes the you are manually entering the path every time you +#open a new terminal window per the install GOMC section +# Example: for explicit_path_to_GOMC_executable_sting, if you just want to enter the explict path for your computer +# or server just replace the above with the following, and you will be the 'GOMC_CPU_GCMC' executable added to it. +# explicit_path_to_GOMC_executable_string = '/home/brad/Programs/GIT_repositories/Test_Slit_pore_mosdef_build/GOMC/bin' + +CPU_or_GPU = 'CPU' # enter string either CPU or GPU, choose to run on CPU or GPU (this design was intened for CPU) + +module_load_command_1 = "module swap gnu7/7.3.0 intel/2019" # leave as None if no module loaded, or provided as a string +module_load_command_2 = None # is leave as None if no module loaded, or provided as a string +module_load_command_3 = None # is None if no module loaded, or provided as a string + +constaint_command = " --constraint=intel" # is None if there is no constraint command for the HPC submission, # or provided as a string +#********************************************************* +# data to change if needed (end) +#********************************************************* +def write_slurm(file_out, task, Ncores,server_run_directory, newdir): + # SLURM boilerplate slurm = "#SBATCH" intro = "#!/bin/bash" @@ -21,14 +41,13 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): Line_6 = " --mem=16G" Line_7 = " --constraint=intel" Line_8 = ' --mail-type=ALL' - Line_9 = ' --mail-user=bc118@wayne.edu' Line_10 = " -o output_%j.out" Line_11 = " -e errors_%j.err" Line_12 = " -t 336:0:0" Line_13 = 'echo "Running on host" hostname' Line_14 = 'echo "Time is" date' - Line_15 = "module swap gnu7/7.3.0 intel/2019" + #goto_directory = os.getcwd() goto_directory = server_run_directory @@ -40,31 +59,68 @@ def write_slurm(file_out, task, Ncores,server_run_directory, newdir): file.write(slurm+Line_4+"\n") file.write(slurm + Line_5 + "\n") file.write(slurm + Line_6 + "\n") - file.write(slurm+Line_7 + "\n") + + if constaint_command != None and isinstance(constaint_command, str): + file.write(slurm+constaint_command + "\n") + file.write(slurm+Line_8 + "\n") - file.write(slurm+Line_9 + "\n") file.write(slurm+Line_10 + "\n") file.write(slurm+Line_11 + "\n") file.write(slurm + Line_12 + "\n\n") file.write(Line_13 + "\n") - file.write(Line_14 + "\n") - file.write(Line_15 + "\n\n") + file.write(Line_14 + "\n\n") + + if module_load_command_1 != None and isinstance(module_load_command_1,str): + file.write(module_load_command_1 + "\n") + if module_load_command_2 != None and isinstance(module_load_command_2, str): + file.write(module_load_command_1 + "\n") + if module_load_command_3 != None and isinstance(module_load_command_3, str): + file.write(module_load_command_1 + "\n") + + file.write("\n\n") file.write("cd " + goto_directory + "\n\n") file.write(task+"\n") file.close() return +if isinstance(CPU_or_GPU, str): + if CPU_or_GPU == 'CPU': + print('GOMC run using CPU') + elif CPU_or_GPU == 'GPU': + print('GOMC run using GPU') + else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") +else: + print("Error: neither 'CPU' or 'GPU' was selected for the CPU_or_GPU variable") + + +executable_file_part_1 = 'GOMC_' # this can be changed to GPU if the user wants to run the GPU code +executable_file_part_2 = '_NVT' # this can be changed to GPU if the user wants to run the GPU code +executable_file = executable_file_part_1 + CPU_or_GPU + executable_file_part_2 +if explicit_path_to_GOMC_executable_string != None : + if isinstance(explicit_path_to_GOMC_executable_string,str): + if explicit_path_to_GOMC_executable_string[-1] == '/': + length = len(explicit_path_to_GOMC_executable_string)-1 + explicit_path_to_GOMC_executable_string = explicit_path_to_GOMC_executable_string[0:length] + executable_file + + else: + + prog = explicit_path_to_GOMC_executable_string + '/' + executable_file + else: + print('ERROR: the explicit_path_to_GOMC_executable_string variable is not a string') + +else: + prog = executable_file +goto_directory = os.getcwd() +server_run_directory = goto_directory -prog = '/wsu/home/hf/hf68/hf6839/GOMC-2_6-master/bin/GOMC_CPU_NVT' -#prog = '/home/brad/Programs/GOMC/GOMC-2_6-master/bin/GOMC_CPU_GCMC' -server_run_directory = '/wsu/home/hf/hf68/hf6839/Simulations/Graphene_water/Graphene_water_MoSDeF/mosdef_slitpore/simulations/surface/3x3x2.0nm_3-layer/gomc/NVT/set1' job_name='wp_NVT_20' parameters='../../NVT_build/GOMC_pore_water_FF.inp' outputname = 'SPCE_PORE_NVT_20' diff --git a/simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Average_No_density_data_hw.pdf b/simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Average_No_density_data_hw.pdf deleted file mode 100644 index 244267a..0000000 Binary files a/simulations/surface/1x1x1.0nm_1-layer/gomc/analysis/Average_No_density_data_hw.pdf and /dev/null differ diff --git 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