data.methane

LAMMPS data file. CGCMM style. atom_style atomic generated by VMD/TopoTools v1.7 on Fri Dec 17 17:31:10 CST 2021
 900 atoms
 0 bonds
 0 angles
 0 dihedrals
 0 impropers
 3 atom types
 0 bond types
 0 angle types
 0 dihedral types
 0 improper types
 0.224452 37.825850  xlo xhi
 0.231356 37.832754  ylo yhi
 -0.157463 37.443935  zlo zhi

# Pair Coeffs
#
# 1  C
# 2  H
# 3  O

 Masses

 1 12.011000 # C
 2 1.008000 # H
 3 15.999000 # O

 Atoms # atomic

1 1 19.527063 17.046034 11.541080 # C
2 2 20.012562 16.152744 11.097061 # H
3 2 20.026588 17.301821 12.498182 # H
4 2 19.612869 17.900850 10.839055 # H
5 2 18.455555 16.828596 11.729392 # H
6 1 30.082294 8.572201 36.476440 # C
7 2 29.385376 8.451607 35.621243 # H
8 2 29.674074 8.051100 37.366364 # H
9 2 31.067791 8.136415 36.217606 # H
10 2 30.207727 9.650461 36.701393 # H
11 1 23.688578 17.395374 1.337363 # C
12 2 24.164410 16.820827 2.158675 # H
13 2 22.868179 18.019108 1.747532 # H
14 2 24.445534 18.049606 0.858048 # H
15 2 23.276602 16.692261 0.584502 # H
16 1 27.340603 23.744312 31.212286 # C
17 2 27.006491 24.751062 30.884886 # H
18 2 27.102186 23.607059 32.286919 # H
19 2 26.825298 22.965000 30.615410 # H
20 2 28.434395 23.643745 31.061140 # H
21 1 32.507710 6.674222 1.563171 # C
22 2 31.794531 7.078719 2.310933 # H
23 2 32.420303 7.247593 0.617831 # H
24 2 33.541851 6.766224 1.953695 # H
25 2 32.277988 5.605588 1.371205 # H
26 1 11.807350 37.088940 13.466799 # C
27 2 12.287711 37.139057 14.465850 # H
28 2 12.566187 36.813557 12.705894 # H
29 2 11.002152 36.325680 13.478657 # H
30 2 11.373037 38.078011 13.214347 # H
31 1 15.501836 1.110737 20.438066 # C
32 2 15.840815 0.745853 19.446335 # H
33 2 14.411056 1.314453 20.406792 # H
34 2 15.713272 0.340860 21.209236 # H
35 2 16.046041 2.044109 20.689735 # H
36 1 4.725358 36.714844 34.323792 # C
37 2 5.512204 37.432972 34.633415 # H
38 2 5.042589 36.195274 33.396408 # H
39 2 4.569051 35.968880 35.129734 # H
40 2 3.777860 37.261372 34.137821 # H
41 1 14.519025 14.161103 17.873978 # C
42 2 13.874282 15.062003 17.937725 # H
43 2 15.489475 14.429774 17.406366 # H
44 2 14.697106 13.767985 18.895901 # H
45 2 14.013308 13.385257 17.262081 # H
46 1 31.006641 12.819778 3.374558 # C
47 2 31.516611 13.422956 4.153066 # H
48 2 30.158920 13.399067 2.955490 # H
49 2 31.726536 12.576505 2.566562 # H
50 2 30.623766 11.880000 3.822327 # H
51 1 9.327005 28.163687 28.930132 # C
52 2 8.739851 28.014372 29.861330 # H
53 2 9.938500 27.260300 28.722378 # H
54 2 8.637949 28.344736 28.079317 # H
55 2 9.993979 29.042162 29.051344 # H
56 1 21.353371 18.632784 17.261585 # C
57 2 21.441351 19.385443 18.072432 # H
58 2 20.721539 19.040855 16.445229 # H
59 2 22.362335 18.395571 16.865520 # H
60 2 20.888655 17.709379 17.665333 # H
61 1 3.465364 29.848307 8.679906 # C
62 2 2.476364 30.096491 9.117290 # H
63 2 3.362501 28.976429 8.001718 # H
64 2 3.844344 30.719250 8.106643 # H
65 2 4.178512 29.600931 9.492660 # H
66 1 9.056652 2.471246 35.989315 # C
67 2 8.096930 2.952551 35.709797 # H
68 2 9.090453 1.446332 35.565693 # H
69 2 9.899300 3.069340 35.584965 # H
70 2 9.139076 2.416741 37.094471 # H
71 1 25.862167 6.896973 11.861990 # C
72 2 25.840403 6.233413 12.750763 # H
73 2 25.848354 7.956455 12.190909 # H
74 2 26.785187 6.702798 11.277801 # H
75 2 24.973949 6.694873 11.228805 # H
76 1 35.182938 9.027753 34.329464 # C
77 2 34.672234 8.150586 33.881855 # H
78 2 35.791553 9.543370 33.557465 # H
79 2 34.424839 9.730672 34.730988 # H
80 2 35.842548 8.685920 35.152630 # H
81 1 8.383948 24.891663 30.290533 # C
82 2 7.881013 23.995781 30.710165 # H
83 2 7.627913 25.539663 29.801514 # H
84 2 8.883579 25.453234 31.106560 # H
85 2 9.143523 24.581888 29.543491 # H
86 1 5.197624 4.649623 13.269734 # C
87 2 4.933917 4.993259 14.289860 # H
88 2 4.563325 5.174402 12.524944 # H
89 2 6.265786 4.874179 13.074572 # H
90 2 5.032701 3.554999 13.197999 # H
91 1 10.788322 20.549513 30.755934 # C
92 2 10.321139 21.542213 30.919035 # H
93 2 10.671074 19.931131 31.669357 # H
94 2 10.295163 20.044849 29.899714 # H
95 2 11.867078 20.682074 30.534740 # H
96 1 4.639635 8.096422 11.212955 # C
97 2 4.707776 9.195858 11.347072 # H
98 2 4.466633 7.863894 10.141136 # H
99 2 5.588335 7.627526 11.544724 # H
100 2 3.799779 7.700904 11.821465 # H
101 1 29.348507 12.546767 37.644917 # C
102 2 28.248438 12.605889 37.774876 # H
103 2 29.746496 11.708945 38.253529 # H
104 2 29.587463 12.374471 36.575214 # H
105 2 29.811975 13.498244 37.977230 # H
106 1 26.657671 15.449110 37.740162 # C
107 2 26.723804 15.028303 36.715553 # H
108 2 26.540691 16.550789 37.680809 # H
109 2 25.782701 15.010745 38.263676 # H
110 2 27.584169 15.207894 38.300976 # H
111 1 14.580299 26.204802 2.266691 # C
112 2 14.850743 27.156311 2.769426 # H
113 2 14.406879 26.394550 1.187487 # H
114 2 15.403203 25.469542 2.388656 # H
115 2 13.653210 25.800213 2.721255 # H
116 1 17.405779 6.985552 9.614103 # C
117 2 18.170513 7.493313 10.237323 # H
118 2 17.880796 6.149517 9.059591 # H
119 2 16.598324 6.591180 10.265769 # H
120 2 16.974283 7.711448 8.894391 # H
121 1 37.245525 0.426040 25.613951 # C
122 2 36.563183 0.156116 26.445904 # H
123 2 37.936676 1.224529 25.951107 # H
124 2 37.833462 -0.464079 25.307671 # H
125 2 36.648983 0.792882 24.753584 # H
126 1 21.176079 2.835727 4.213306 # C
127 2 22.130728 2.551428 3.724921 # H
128 2 21.042568 3.935233 4.150179 # H
129 2 20.332264 2.332212 3.699363 # H
130 2 21.198736 2.524812 5.278090 # H
131 1 27.127975 11.868417 26.912226 # C
132 2 26.275063 12.062181 27.594297 # H
133 2 27.064186 10.829805 26.528471 # H
134 2 27.091475 12.579412 26.061197 # H
135 2 28.080873 12.000454 27.464741 # H
136 1 0.757737 36.033894 28.631975 # C
137 2 0.683774 35.568233 27.626760 # H
138 2 0.493092 37.107311 28.561554 # H
139 2 0.056125 35.531895 29.328449 # H
140 2 1.793621 35.939014 29.017607 # H
141 1 16.188753 13.436716 35.678089 # C
142 2 15.676691 12.539783 36.084915 # H
143 2 17.121716 13.622487 36.249146 # H
144 2 16.439720 13.268702 34.610783 # H
145 2 15.519657 14.317556 35.766254 # H
146 1 32.158005 4.835492 35.727894 # C
147 2 32.233273 5.914177 35.972576 # H
148 2 33.127712 4.480392 35.322834 # H
149 2 31.909573 4.265259 36.645748 # H
150 2 31.361176 4.682533 34.971359 # H
151 1 11.642212 13.005098 19.979431 # C
152 2 10.980339 12.841691 20.853802 # H
153 2 12.431947 12.225312 19.963287 # H
154 2 11.044668 12.942739 19.046967 # H
155 2 12.105844 14.010657 20.055681 # H
156 1 33.031578 31.114508 33.835430 # C
157 2 33.074707 30.087818 34.253731 # H
158 2 34.044601 31.566433 33.858021 # H
159 2 32.669239 31.071787 32.787731 # H
160 2 32.337475 31.731871 34.441975 # H
161 1 8.410800 11.188658 30.294168 # C
162 2 9.414804 11.431233 30.703119 # H
163 2 8.465391 10.259547 29.688446 # H
164 2 7.697368 11.039909 31.131063 # H
165 2 8.061426 12.025422 29.654270 # H
166 1 31.534266 7.481611 33.255852 # C
167 2 32.402760 6.814278 33.432701 # H
168 2 31.640205 8.396786 33.871307 # H
169 2 31.503670 7.763572 32.184158 # H
170 2 30.594048 6.961861 33.535809 # H
171 1 21.737078 15.686345 27.868279 # C
172 2 22.506588 16.469946 28.023760 # H
173 2 21.879025 14.876290 28.612808 # H
174 2 20.727268 16.131023 27.985434 # H
175 2 21.837378 15.267289 26.846691 # H
176 1 22.543512 13.180934 16.352333 # C
177 2 22.320076 12.593716 15.437672 # H
178 2 22.891567 12.499806 17.156618 # H
179 2 23.332697 13.927028 16.124260 # H
180 2 21.627399 13.705336 16.692181 # H
181 1 25.036964 0.821444 14.742221 # C
182 2 25.387970 0.056428 15.464138 # H
183 2 24.354704 1.527432 15.258912 # H
184 2 25.910660 1.375392 14.340265 # H
185 2 24.495279 0.324576 13.910468 # H
186 1 8.802790 11.381211 17.061546 # C
187 2 9.552598 12.056578 16.597914 # H
188 2 9.224698 10.927892 17.982565 # H
189 2 7.892629 11.956989 17.332939 # H
190 2 8.543497 10.583175 16.334398 # H
191 1 16.062294 36.845985 15.651423 # C
192 2 15.867032 36.101631 14.852142 # H
193 2 16.681038 36.381443 16.446650 # H
194 2 16.603079 37.714535 15.222411 # H
195 2 15.098873 37.186092 16.084042 # H
196 1 35.348297 1.928999 5.466029 # C
197 2 34.566669 1.213647 5.136327 # H
198 2 36.024387 2.158612 4.616523 # H
199 2 34.868145 2.864460 5.820746 # H
200 2 35.935555 1.477802 6.291665 # H
201 1 30.950317 12.811593 7.028731 # C
202 2 32.037457 12.955078 6.865356 # H
203 2 30.631399 11.854854 6.564813 # H
204 2 30.735308 12.796713 8.118028 # H
205 2 30.402668 13.650387 6.554682 # H
206 1 13.501381 18.162523 31.726540 # C
207 2 12.627979 17.871670 32.345501 # H
208 2 14.346428 17.474056 31.932949 # H
209 2 13.228531 18.105778 30.652538 # H
210 2 13.801608 19.200598 31.976572 # H
211 1 4.941618 9.662456 17.046442 # C
212 2 4.408300 9.951831 16.117874 # H
213 2 4.243174 9.735288 17.903341 # H
214 2 5.304295 8.619010 16.961243 # H
215 2 5.806957 10.337658 17.206512 # H
216 1 3.200468 0.851112 27.439840 # C
217 2 2.731208 0.155508 26.716719 # H
218 2 2.453893 1.605587 27.763083 # H
219 2 3.552743 0.277258 28.321497 # H
220 2 4.060995 1.355457 26.953564 # H
221 1 12.040163 28.404343 35.518730 # C
222 2 12.776823 27.707737 35.969604 # H
223 2 12.362780 28.669741 34.490772 # H
224 2 11.045474 27.914679 35.478966 # H
225 2 11.975338 29.324881 36.134903 # H
226 1 34.184399 28.570129 4.726662 # C
227 2 33.621967 28.009975 3.952091 # H
228 2 33.479435 29.186399 5.321606 # H
229 2 34.703453 27.853720 5.395971 # H
230 2 34.932419 29.228672 4.238545 # H
231 1 21.183691 6.210394 30.316021 # C
232 2 21.518129 6.694165 29.375408 # H
233 2 20.813826 6.986845 31.016537 # H
234 2 20.370636 5.488246 30.092674 # H
235 2 22.035526 5.675379 30.783642 # H
236 1 31.191011 24.945635 19.206495 # C
237 2 30.487066 24.209978 19.647003 # H
238 2 30.896250 25.969713 19.515448 # H
239 2 32.220020 24.731594 19.561989 # H
240 2 31.158953 24.869837 18.100124 # H
241 1 27.620958 12.998173 5.000787 # C
242 2 26.533745 12.779180 5.065388 # H
243 2 27.838638 13.462795 4.016086 # H
244 2 27.906265 13.701715 5.810763 # H
245 2 28.204069 12.058145 5.110868 # H
246 1 0.124091 17.567331 6.712517 # C
247 2 -0.215272 18.512335 6.240754 # H
248 2 0.173805 16.767803 5.943928 # H
249 2 1.132809 17.714121 7.152304 # H
250 2 -0.594966 17.279654 7.508622 # H
251 1 36.899170 28.353764 18.697495 # C
252 2 36.237675 27.463142 18.714622 # H
253 2 37.752522 28.169655 18.012283 # H
254 2 36.324772 29.234140 18.342571 # H
255 2 37.280720 28.548370 19.721006 # H
256 1 5.913576 22.999731 15.947034 # C
257 2 4.967555 22.535114 16.293331 # H
258 2 6.180841 23.842657 16.617275 # H
259 2 6.723891 22.242437 15.962699 # H
260 2 5.782061 23.379129 14.913133 # H
261 1 35.752872 17.875704 20.037376 # C
262 2 36.067326 18.429644 20.945681 # H
263 2 35.801422 16.784899 20.234011 # H
264 2 34.712833 18.157763 19.773710 # H
265 2 36.429783 18.130461 19.196074 # H
266 1 5.683876 27.540548 12.096740 # C
267 2 4.821410 26.960213 12.483219 # H
268 2 6.277910 27.931604 12.947978 # H
269 2 6.321624 26.883162 11.470840 # H
270 2 5.313889 28.387157 11.483560 # H
271 1 27.397858 32.882923 17.506886 # C
272 2 27.551674 33.268269 16.477350 # H
273 2 26.428221 33.250988 17.900990 # H
274 2 27.390860 31.773729 17.490700 # H
275 2 28.222595 33.237221 18.159298 # H
276 1 23.513441 23.927427 31.947945 # C
277 2 22.487329 23.560627 31.738194 # H
278 2 23.971216 24.302818 31.010071 # H
279 2 23.469280 24.749464 32.691856 # H
280 2 24.128078 23.096674 32.351162 # H
281 1 33.363880 25.818146 28.173977 # C
282 2 32.360981 25.630127 27.738241 # H
283 2 33.282402 26.584682 28.971838 # H
284 2 33.762466 24.876753 28.605042 # H
285 2 34.049950 26.181318 27.381313 # H
286 1 16.932467 2.759893 32.834408 # C
287 2 17.363131 2.471575 33.815327 # H
288 2 17.554420 2.338166 32.018299 # H
289 2 15.899009 2.364966 32.752979 # H
290 2 16.913797 3.865736 32.750099 # H
291 1 23.331034 29.956100 28.020384 # C
292 2 22.493004 29.599386 28.653984 # H
293 2 23.028786 30.886679 27.497469 # H
294 2 24.214775 30.162241 28.658571 # H
295 2 23.587500 29.177851 27.272150 # H
296 1 10.257313 14.917828 1.815059 # C
297 2 9.812361 15.878805 2.145811 # H
298 2 9.447700 14.218563 1.520636 # H
299 2 10.925481 15.096891 0.946872 # H
300 2 10.842212 14.477067 2.648716 # H
301 1 6.371115 11.941904 14.371000 # C
302 2 6.001834 12.277048 15.361825 # H
303 2 5.595877 12.134558 13.600914 # H
304 2 7.300928 12.491124 14.117705 # H
305 2 6.590271 10.857053 14.406288 # H
306 1 20.714146 4.156542 0.666072 # C
307 2 20.481213 4.186863 -0.418543 # H
308 2 21.714760 4.601421 0.841910 # H
309 2 19.951437 4.738601 1.222407 # H
310 2 20.709379 3.104773 1.020258 # H
311 1 33.114700 10.673073 31.789362 # C
312 2 34.059185 11.244297 31.679701 # H
313 2 32.698956 10.838242 32.804512 # H
314 2 32.382011 11.021362 31.033010 # H
315 2 33.318203 9.592394 31.639412 # H
316 1 33.889984 1.394497 8.868960 # C
317 2 34.393932 2.347035 8.605353 # H
318 2 32.790371 1.536857 8.837915 # H
319 2 34.180401 0.611229 8.139637 # H
320 2 34.194862 1.081610 9.889076 # H
321 1 27.346052 36.491146 28.421299 # C
322 2 27.216814 35.806950 29.284327 # H
323 2 28.233465 36.178024 27.833303 # H
324 2 26.441801 36.453644 27.779129 # H
325 2 27.492252 37.527077 28.790646 # H
326 1 9.597907 16.505102 20.587404 # C
327 2 10.351630 16.898607 21.300159 # H
328 2 8.746921 16.071672 21.152414 # H
329 2 9.232265 17.330229 19.941790 # H
330 2 10.060897 15.720444 19.954660 # H
331 1 20.267151 4.094276 33.049557 # C
332 2 21.308798 4.459316 33.147308 # H
333 2 19.576427 4.956717 33.134430 # H
334 2 20.136066 3.614261 32.057362 # H
335 2 20.053268 3.362586 33.856895 # H
336 1 25.850990 13.410067 21.714617 # C
337 2 26.588821 13.778059 22.456913 # H
338 2 25.065470 12.823872 22.234379 # H
339 2 25.385916 14.273001 21.194853 # H
340 2 26.365513 12.765617 20.972454 # H
341 1 10.147166 10.958679 2.249346 # C
342 2 9.750745 10.978811 1.213407 # H
343 2 10.952381 10.199189 2.320612 # H
344 2 10.559519 11.954493 2.507142 # H
345 2 9.330295 10.703940 2.956139 # H
346 1 16.276972 35.895519 3.669141 # C
347 2 17.206863 35.518070 3.196368 # H
348 2 16.018156 36.883442 3.235685 # H
349 2 15.450168 35.181580 3.475454 # H
350 2 16.430599 35.997639 4.764374 # H
351 1 21.401581 17.456112 31.027573 # C
352 2 22.102673 17.979218 30.344774 # H
353 2 20.444159 17.268398 30.499767 # H
354 2 21.845192 16.490049 31.345341 # H
355 2 21.211954 18.086439 31.920511 # H
356 1 18.363626 35.521301 36.540054 # C
357 2 18.058397 35.159229 37.545330 # H
358 2 18.194323 34.724934 35.785385 # H
359 2 17.763834 36.414421 36.268173 # H
360 2 19.440186 35.789986 36.557014 # H
361 1 26.544262 33.588120 31.243515 # C
362 2 26.119318 32.629169 31.604797 # H
363 2 27.269772 33.976887 31.987616 # H
364 2 27.059317 33.422409 30.274910 # H
365 2 25.726988 34.325451 31.106049 # H
366 1 13.401462 2.212070 23.788185 # C
367 2 14.249306 1.748819 23.243904 # H
368 2 13.456546 1.939728 24.862265 # H
369 2 13.454245 3.314624 23.683462 # H
370 2 12.445320 1.845835 23.361721 # H
371 1 28.096441 15.518829 19.901604 # C
372 2 28.168571 15.856696 20.955832 # H
373 2 28.804159 16.098885 19.274525 # H
374 2 28.348736 14.439968 19.845341 # H
375 2 27.062914 15.678936 19.531809 # H
376 1 18.654779 6.903460 15.680192 # C
377 2 19.736803 6.984661 15.912411 # H
378 2 18.064398 7.319788 16.522346 # H
379 2 18.431259 7.474234 14.755342 # H
380 2 18.386438 5.837246 15.530888 # H
381 1 10.645721 1.560474 16.794268 # C
382 2 11.105519 1.924246 17.736170 # H
383 2 10.549917 0.455971 16.832411 # H
384 2 9.641162 2.015806 16.674477 # H
385 2 11.286065 1.846118 15.934503 # H
386 1 36.917458 26.630117 2.943147 # C
387 2 36.711784 27.692543 2.699372 # H
388 2 36.474304 26.384495 3.930000 # H
389 2 36.470222 25.978985 2.164294 # H
390 2 38.013718 26.464521 2.978565 # H
391 1 19.630049 19.453623 36.763317 # C
392 2 19.665321 18.527159 37.374050 # H
393 2 18.901114 20.162567 37.208897 # H
394 2 20.636255 19.922195 36.742569 # H
395 2 19.318811 19.203222 35.727798 # H
396 1 12.782830 27.407711 30.304039 # C
397 2 12.975971 28.392035 30.778637 # H
398 2 13.639383 26.729563 30.497665 # H
399 2 11.858391 26.968298 30.731808 # H
400 2 12.656511 27.539665 29.209488 # H
401 1 25.737261 19.187672 16.862488 # C
402 2 25.805531 18.165548 16.437172 # H
403 2 25.984526 19.931873 16.077593 # H
404 2 24.705906 19.366480 17.228544 # H
405 2 26.450851 19.285469 17.706488 # H
406 1 25.977741 13.399957 17.668474 # C
407 2 26.205339 14.396798 17.236795 # H
408 2 25.159624 13.500701 18.411772 # H
409 2 25.663303 12.708976 16.858652 # H
410 2 26.883142 12.995053 18.165909 # H
411 1 0.679204 27.235411 9.037945 # C
412 2 0.735878 27.883350 8.139323 # H
413 2 1.289797 27.680016 9.850552 # H
414 2 -0.376172 27.152910 9.370488 # H
415 2 1.068836 26.226068 8.792315 # H
416 1 24.970194 32.899376 6.509390 # C
417 2 25.760784 33.551212 6.934840 # H
418 2 25.211195 32.669643 5.451005 # H
419 2 24.916029 31.955378 7.090204 # H
420 2 23.992512 33.421234 6.560900 # H
421 1 27.543398 36.419964 13.000103 # C
422 2 27.500408 37.478642 12.671929 # H
423 2 26.518734 36.061089 13.226254 # H
424 2 27.981592 35.800472 12.191183 # H
425 2 28.172287 36.340000 13.910219 # H
426 1 19.956022 10.352777 16.078236 # C
427 2 20.410063 9.659739 15.339568 # H
428 2 19.818274 11.351691 15.615573 # H
429 2 18.969730 9.960982 16.403263 # H
430 2 20.627773 10.440874 16.956711 # H
431 1 19.681505 14.110509 30.711254 # C
432 2 20.770813 13.908613 30.756462 # H
433 2 19.448561 14.674066 29.785055 # H
434 2 19.128090 13.148922 30.706198 # H
435 2 19.381304 14.711899 31.594069 # H
436 1 6.694540 7.846636 14.563748 # C
437 2 6.343516 6.986924 15.171253 # H
438 2 7.283597 7.478274 13.701486 # H
439 2 5.824687 8.427356 14.193046 # H
440 2 7.335665 8.499426 15.189359 # H
441 1 17.485670 26.085810 5.472129 # C
442 2 17.814835 26.968403 6.059310 # H
443 2 18.365513 25.611671 4.989942 # H
444 2 16.995955 25.354685 6.147977 # H
445 2 16.766132 26.407597 4.691283 # H
446 1 3.310581 24.044834 18.536552 # C
447 2 3.907528 24.868048 18.091873 # H
448 2 2.644677 24.457052 19.322227 # H
449 2 2.696760 23.562616 17.747719 # H
450 2 3.991697 23.292210 18.985437 # H
451 1 8.122530 5.174514 30.394234 # C
452 2 8.157887 6.234765 30.071827 # H
453 2 7.234330 4.680616 29.947483 # H
454 2 9.041304 4.653089 30.055441 # H
455 2 8.058791 5.135524 31.501560 # H
456 1 4.532441 18.993605 11.967578 # C
457 2 4.916888 18.426102 12.840181 # H
458 2 3.455698 18.767860 11.823182 # H
459 2 4.660325 20.081026 12.148080 # H
460 2 5.096740 18.698959 11.058770 # H
461 1 15.603315 13.581177 1.647855 # C
462 2 15.176652 13.468653 2.665744 # H
463 2 16.154345 12.658867 1.370718 # H
464 2 14.782545 13.755074 0.922060 # H
465 2 16.299646 14.444510 1.631984 # H
466 1 7.445773 5.672374 10.237665 # C
467 2 7.811663 6.174552 11.157799 # H
468 2 8.258217 5.056802 9.797748 # H
469 2 6.583159 5.021902 10.489699 # H
470 2 7.124773 6.439496 9.503260 # H
471 1 18.650602 21.191381 33.393669 # C
472 2 18.156488 21.838509 32.640068 # H
473 2 18.541275 21.646040 34.399799 # H
474 2 18.176638 20.188366 33.388359 # H
475 2 19.727901 21.092421 33.147430 # H
476 1 24.424671 2.433201 6.398725 # C
477 2 23.436937 2.715032 6.819061 # H
478 2 24.279873 1.920672 5.426005 # H
479 2 25.042150 3.342812 6.244364 # H
480 2 24.940105 1.749489 7.103977 # H
481 1 23.981529 9.278683 30.710714 # C
482 2 24.856081 9.298500 31.393444 # H
483 2 23.773815 8.232839 30.401688 # H
484 2 23.095451 9.691762 31.236303 # H
485 2 24.202930 9.893375 29.813095 # H
486 1 31.560574 2.489389 5.495946 # C
487 2 32.096012 2.641815 4.535716 # H
488 2 32.295498 2.309983 6.307534 # H
489 2 30.961729 3.392557 5.733486 # H
490 2 30.885386 1.613724 5.408431 # H
491 1 5.391228 24.339611 27.952509 # C
492 2 6.262642 23.654917 27.901247 # H
493 2 4.914401 24.256405 28.950665 # H
494 2 5.731488 25.383511 27.791830 # H
495 2 4.656661 24.063765 27.168142 # H
496 1 19.459801 37.379169 1.977779 # C
497 2 20.208366 38.121689 1.631347 # H
498 2 19.320601 37.476482 3.075979 # H
499 2 18.494516 37.564800 1.462870 # H
500 2 19.814825 36.355915 1.733693 # H
501 3 35.134350 3.307261 29.576494 # O
502 3 35.670322 4.286327 29.295773 # O
503 3 28.277058 34.934029 5.761168 # O
504 3 29.067284 35.683876 5.389751 # O
505 3 38.148399 19.172050 9.945358 # O
506 3 37.278355 19.752663 9.464919 # O
507 3 37.196686 23.519442 8.920762 # O
508 3 36.228561 23.579563 8.301122 # O
509 3 33.200066 28.404806 1.102057 # O
510 3 34.142109 27.756289 0.972433 # O
511 3 12.265781 13.011388 12.884281 # O
512 3 11.638353 12.997889 13.849107 # O
513 3 7.360295 12.002617 25.928772 # O
514 3 7.323284 11.420310 26.920769 # O
515 3 22.620714 21.870337 16.567911 # O
516 3 23.534075 21.903448 15.868413 # O
517 3 21.815794 13.245739 12.482500 # O
518 3 21.153078 14.032005 12.999483 # O
519 3 12.691422 2.124313 9.399092 # O
520 3 12.518888 2.057807 10.535110 # O
521 3 32.612770 5.816339 5.161518 # O
522 3 33.384937 5.418422 5.916665 # O
523 3 1.920010 2.430628 2.328372 # O
524 3 3.068866 2.392052 2.386445 # O
525 3 30.263058 31.849915 16.172970 # O
526 3 30.672464 32.925453 16.186728 # O
527 3 26.952734 36.288544 17.616177 # O
528 3 27.730995 36.353058 16.770470 # O
529 3 20.938446 27.531139 26.619946 # O
530 3 20.774242 27.218605 27.715410 # O
531 3 28.198812 20.616400 12.668790 # O
532 3 27.466169 20.266018 13.484287 # O
533 3 7.700508 25.300058 13.837737 # O
534 3 8.337765 25.359600 14.794336 # O
535 3 17.283325 14.319348 4.702419 # O
536 3 17.442400 14.448512 5.834988 # O
537 3 5.592295 13.055822 23.190723 # O
538 3 4.537739 12.674217 23.449484 # O
539 3 27.318707 16.500090 3.420540 # O
540 3 26.380583 16.176413 4.003640 # O
541 3 34.331615 16.019878 33.652927 # O
542 3 35.276630 15.968827 34.307892 # O
543 3 32.637653 14.227240 10.152258 # O
544 3 33.460289 14.049024 9.367251 # O
545 3 26.208633 35.722519 36.409882 # O
546 3 27.002020 34.909500 36.224987 # O
547 3 19.076868 3.320014 7.277628 # O
548 3 18.729698 4.060531 6.467632 # O
549 3 19.795013 7.327728 26.047564 # O
550 3 19.266373 7.669506 25.084021 # O
551 3 20.951078 6.031334 8.110262 # O
552 3 20.448854 6.875917 7.510761 # O
553 3 13.561397 16.318449 2.288118 # O
554 3 12.931952 17.272388 2.152551 # O
555 3 24.417671 13.036085 29.831533 # O
556 3 25.392550 12.705667 30.346426 # O
557 3 4.380088 34.169407 31.036530 # O
558 3 4.071053 35.241699 30.754551 # O
559 3 10.919203 16.996847 5.958391 # O
560 3 10.851552 16.696768 4.849403 # O
561 3 3.676427 21.548815 25.943605 # O
562 3 3.929649 20.533939 25.463491 # O
563 3 34.280926 35.940449 25.219326 # O
564 3 35.113754 35.181095 24.986013 # O
565 3 10.824500 16.279987 30.381413 # O
566 3 10.114139 16.954206 30.986084 # O
567 3 37.374413 0.717571 9.092942 # O
568 3 37.087677 -0.394062 9.174731 # O
569 3 3.476736 34.871037 27.044832 # O
570 3 4.562722 35.252560 27.065685 # O
571 3 8.662674 7.871740 1.021987 # O
572 3 7.937701 8.104505 1.885045 # O
573 3 8.887958 7.549524 33.068226 # O
574 3 8.321625 8.295905 32.399754 # O
575 3 3.251776 7.572828 14.814877 # O
576 3 2.734444 6.759453 15.443943 # O
577 3 2.243721 19.049370 4.293691 # O
578 3 1.370607 19.783333 4.139825 # O
579 3 7.879715 9.387683 20.137106 # O
580 3 7.358766 8.712041 19.364529 # O
581 3 6.042439 1.941597 0.119597 # O
582 3 6.244408 2.895282 0.731318 # O
583 3 37.374630 37.328896 12.939386 # O
584 3 38.455376 36.947533 12.833898 # O
585 3 3.019712 3.288412 15.955458 # O
586 3 2.160451 2.846927 15.329679 # O
587 3 0.636191 22.976126 23.546120 # O
588 3 -0.405074 22.562531 23.809338 # O
589 3 1.052006 25.808552 12.111070 # O
590 3 1.910659 26.484936 12.471386 # O
591 3 31.549732 31.858198 4.954929 # O
592 3 31.120140 32.773506 5.504800 # O
593 3 0.772591 28.683077 36.362446 # O
594 3 1.230066 29.201719 35.442360 # O
595 3 35.043438 24.271826 21.765934 # O
596 3 34.632980 24.457014 22.825108 # O
597 3 33.483192 15.691397 23.409685 # O
598 3 33.374840 16.701138 22.867975 # O
599 3 34.542717 2.657201 37.398849 # O
600 3 34.181595 1.892581 36.617870 # O
601 3 17.386696 1.268607 5.376862 # O
602 3 16.312023 1.517249 5.705493 # O
603 3 18.409475 1.923235 36.711853 # O
604 3 19.349072 1.555606 36.158115 # O
605 3 16.920923 2.324487 2.103264 # O
606 3 17.807289 2.917347 2.536656 # O
607 3 7.192133 33.244419 18.077585 # O
608 3 6.952927 33.679947 19.115742 # O
609 3 13.424383 5.929217 24.629984 # O
610 3 13.518745 7.075502 24.590878 # O
611 3 34.397503 9.840364 18.871983 # O
612 3 34.263371 10.658830 18.074015 # O
613 3 21.966734 28.939869 16.138901 # O
614 3 21.786314 28.169168 16.974432 # O
615 3 12.438949 4.638057 16.953312 # O
616 3 13.305967 3.949797 17.268385 # O
617 3 27.988449 25.542336 17.865131 # O
618 3 27.870733 24.406099 18.005749 # O
619 3 22.728354 0.992099 20.794487 # O
620 3 21.624184 0.864362 21.093035 # O
621 3 12.442636 23.504183 10.969941 # O
622 3 12.141953 23.754807 12.052272 # O
623 3 18.090010 6.396215 36.881489 # O
624 3 18.334829 5.832867 35.908150 # O
625 3 3.814666 25.465874 9.976748 # O
626 3 4.130133 26.333300 9.289209 # O
627 3 31.284262 36.462051 28.468664 # O
628 3 30.949099 35.692272 29.255966 # O
629 3 26.150909 22.033602 21.533649 # O
630 3 26.435623 23.038015 21.049147 # O
631 3 26.914015 8.507134 28.951691 # O
632 3 27.161835 7.799754 29.825560 # O
633 3 5.066250 12.568268 29.936195 # O
634 3 4.066969 12.689395 30.494251 # O
635 3 29.584982 23.991598 2.099061 # O
636 3 30.705338 23.728828 2.078850 # O
637 3 13.987211 11.129149 31.763968 # O
638 3 13.616345 11.443788 32.807110 # O
639 3 11.109560 28.924765 20.772795 # O
640 3 11.542363 29.329428 21.759497 # O
641 3 15.632230 4.432366 7.712044 # O
642 3 15.830544 3.713974 8.589102 # O
643 3 8.189074 12.838294 20.819162 # O
644 3 7.750127 13.521371 20.003181 # O
645 3 26.323135 5.416744 33.262272 # O
646 3 25.241776 5.033312 33.170937 # O
647 3 2.395108 32.963585 34.756493 # O
648 3 3.195695 33.435974 34.077881 # O
649 3 30.576818 25.050611 8.338343 # O
650 3 31.004416 24.390078 9.178293 # O
651 3 23.964848 26.165077 28.305603 # O
652 3 23.476105 25.132584 28.164959 # O
653 3 18.257814 3.771908 11.032932 # O
654 3 18.085285 4.373719 11.998883 # O
655 3 2.741856 15.361857 34.201263 # O
656 3 2.003518 15.409398 33.319668 # O
657 3 30.863558 27.089815 3.192509 # O
658 3 30.917818 26.601051 4.233172 # O
659 3 22.631313 12.626724 32.902126 # O
660 3 22.763536 13.765286 32.797363 # O
661 3 12.011917 19.873449 34.343452 # O
662 3 11.414282 20.249166 35.252338 # O
663 3 4.920681 11.458540 20.277573 # O
664 3 4.494967 12.384287 19.741863 # O
665 3 6.654815 36.209949 22.405252 # O
666 3 6.825595 36.428513 23.522272 # O
667 3 13.959307 25.295126 6.529898 # O
668 3 13.793376 25.994478 5.631008 # O
669 3 7.858103 19.623028 14.960918 # O
670 3 8.700546 19.918068 15.687659 # O
671 3 32.654980 21.511972 5.837040 # O
672 3 32.112267 20.502157 5.939302 # O
673 3 34.667889 8.436431 22.011229 # O
674 3 33.692089 9.026598 22.166876 # O
675 3 1.830990 21.044664 7.276061 # O
676 3 2.772548 20.390041 7.374615 # O
677 3 32.433277 7.845236 12.958473 # O
678 3 31.441402 7.523780 13.445886 # O
679 3 26.141024 9.867268 22.624083 # O
680 3 26.259838 10.385737 23.644869 # O
681 3 11.721775 33.612907 11.661748 # O
682 3 12.633670 33.526836 12.358628 # O
683 3 30.184336 36.063805 19.190784 # O
684 3 30.566120 35.206974 18.523979 # O
685 3 7.925494 25.331652 2.926016 # O
686 3 8.729859 26.034559 3.354516 # O
687 3 0.072268 22.860266 19.959276 # O
688 3 -0.332977 21.869520 20.382139 # O
689 3 11.712377 28.751730 17.011763 # O
690 3 11.330517 27.769711 17.475023 # O
691 3 30.827145 3.466054 25.571594 # O
692 3 31.505775 2.882089 26.294853 # O
693 3 36.817444 16.810419 31.315832 # O
694 3 37.029102 15.691378 31.149731 # O
695 3 32.980015 26.983372 24.579679 # O
696 3 32.125706 27.535585 25.118179 # O
697 3 13.993224 20.637794 3.281775 # O
698 3 14.037450 21.767958 3.068430 # O
699 3 2.442158 17.475502 14.402076 # O
700 3 1.535700 18.133905 14.138255 # O
701 3 19.147760 19.187626 2.757038 # O
702 3 20.269159 18.934555 2.702120 # O
703 3 23.554266 16.771564 34.428280 # O
704 3 24.350613 16.856215 35.255119 # O
705 3 14.481533 35.796131 35.178455 # O
706 3 13.434152 36.269238 35.116089 # O
707 3 2.161768 25.473595 26.335543 # O
708 3 1.172765 25.295271 25.774620 # O
709 3 17.662342 6.500071 31.562901 # O
710 3 17.619061 7.625865 31.327866 # O
711 3 23.257277 8.563909 14.120945 # O
712 3 22.941336 7.479671 13.899038 # O
713 3 24.480482 33.878696 34.174736 # O
714 3 24.932808 32.829964 34.316864 # O
715 3 3.312628 16.137697 5.527082 # O
716 3 2.936285 15.215466 6.103718 # O
717 3 1.492865 33.865440 8.668629 # O
718 3 2.425324 33.408600 9.165079 # O
719 3 33.810303 24.841030 4.043832 # O
720 3 33.721844 25.033360 2.912489 # O
721 3 20.757406 24.011620 34.222862 # O
722 3 21.237665 23.182322 34.860332 # O
723 3 8.108399 30.865093 35.782364 # O
724 3 7.134629 31.459570 35.630344 # O
725 3 2.500631 4.190885 37.055042 # O
726 3 3.557832 4.552912 37.330414 # O
727 3 18.513844 13.896659 16.562218 # O
728 3 18.744642 13.488672 17.613352 # O
729 3 33.331402 6.300299 19.552008 # O
730 3 33.438168 5.568129 20.433590 # O
731 3 31.191971 10.642108 14.612000 # O
732 3 32.305019 10.935012 14.615589 # O
733 3 4.809885 2.631947 10.268609 # O
734 3 4.740341 3.279469 9.319532 # O
735 3 11.195698 14.862052 8.603862 # O
736 3 10.923462 15.496117 9.525002 # O
737 3 11.764050 20.416079 12.907092 # O
738 3 11.554852 20.321526 11.779264 # O
739 3 3.080514 36.886734 8.313643 # O
740 3 3.085230 38.037468 8.288211 # O
741 3 15.390963 32.469723 10.784981 # O
742 3 16.371931 32.436039 10.184006 # O
743 3 24.945711 34.648979 15.483402 # O
744 3 24.157175 34.806683 14.660078 # O
745 3 4.020059 4.185790 25.509953 # O
746 3 3.188599 3.478055 25.146154 # O
747 3 13.017354 23.547638 30.494143 # O
748 3 11.969436 23.986952 30.677713 # O
749 3 4.952453 5.874594 17.876719 # O
750 3 4.191385 6.456179 18.515022 # O
751 3 6.640795 31.010975 12.302224 # O
752 3 6.087867 30.923794 13.307866 # O
753 3 25.944160 24.072681 35.281986 # O
754 3 24.815023 23.848791 35.276108 # O
755 3 22.939116 32.845337 31.364304 # O
756 3 22.664473 31.774660 31.043310 # O
757 3 10.321230 0.918054 7.275438 # O
758 3 10.173390 -0.035567 6.648265 # O
759 3 27.878963 3.547653 5.306528 # O
760 3 28.242767 4.241630 4.463517 # O
761 3 2.722862 0.498006 23.599491 # O
762 3 3.685470 0.045263 24.038969 # O
763 3 28.994936 26.566111 33.124546 # O
764 3 28.209011 26.251001 33.904476 # O
765 3 14.559085 23.915771 37.006840 # O
766 3 14.205582 24.754192 36.302021 # O
767 3 0.570290 26.001589 21.132153 # O
768 3 0.030502 26.268232 22.113203 # O
769 3 22.807774 35.664143 8.324994 # O
770 3 23.467573 36.380302 7.711370 # O
771 3 35.471428 19.051361 28.989538 # O
772 3 36.014568 18.345263 28.260799 # O
773 3 3.429770 26.104061 15.431859 # O
774 3 4.573263 26.231289 15.398475 # O
775 3 21.211292 27.791357 35.716393 # O
776 3 20.460184 26.930933 35.858238 # O
777 3 23.411140 5.381849 3.105956 # O
778 3 24.229378 4.962459 3.798578 # O
779 3 18.253952 36.319740 19.821581 # O
780 3 18.572594 36.982399 20.707035 # O
781 3 31.896599 8.216392 16.921379 # O
782 3 32.906643 7.962617 16.431423 # O
783 3 4.513883 9.217230 29.609024 # O
784 3 3.946719 9.201180 30.610388 # O
785 3 21.339039 21.069708 13.316175 # O
786 3 21.735600 21.966450 12.713306 # O
787 3 21.836239 19.559355 27.786278 # O
788 3 22.595673 19.176441 27.010839 # O
789 3 10.138863 23.710508 17.000675 # O
790 3 9.432592 22.811951 17.136271 # O
791 3 16.324770 11.143378 17.128908 # O
792 3 16.451748 11.022223 18.266417 # O
793 3 32.320713 36.637028 6.316874 # O
794 3 31.591028 36.729523 7.202172 # O
795 3 3.204760 22.179333 1.783351 # O
796 3 4.077398 22.091553 2.528612 # O
797 3 17.836073 10.441548 36.792431 # O
798 3 18.451212 11.167915 37.439465 # O
799 3 23.516266 18.480942 14.018072 # O
800 3 24.403368 19.037649 13.540712 # O
801 3 13.095573 36.545731 22.110870 # O
802 3 13.918050 36.268665 22.866777 # O
803 3 34.137230 9.644646 0.151097 # O
804 3 35.101231 9.044532 0.339408 # O
805 3 4.447744 36.389881 11.522550 # O
806 3 3.926963 37.401295 11.698155 # O
807 3 35.408161 14.720740 4.904998 # O
808 3 34.281235 14.493605 4.961747 # O
809 3 7.398999 21.291786 29.684586 # O
810 3 7.514693 20.925770 28.599428 # O
811 3 34.022854 34.382198 4.411407 # O
812 3 34.392166 33.393513 3.952316 # O
813 3 8.421375 2.151604 32.499668 # O
814 3 9.497769 2.515113 32.684196 # O
815 3 10.919708 24.386303 1.222636 # O
816 3 11.624808 25.176199 0.771478 # O
817 3 18.216846 1.460196 17.683907 # O
818 3 18.585888 2.006629 18.627232 # O
819 3 14.624685 9.469410 9.988902 # O
820 3 14.938848 9.231004 11.070146 # O
821 3 4.985614 5.558036 31.936195 # O
822 3 5.371963 6.621613 32.146461 # O
823 3 13.965659 25.596296 33.217876 # O
824 3 12.835375 25.682928 33.417164 # O
825 3 5.717591 28.574125 -0.437937 # O
826 3 6.075627 29.151392 0.491150 # O
827 3 36.315784 2.099614 15.335649 # O
828 3 36.402206 1.181290 16.024067 # O
829 3 6.237028 14.766231 0.863170 # O
830 3 6.646584 15.218248 1.839190 # O
831 3 25.519974 3.083845 21.424973 # O
832 3 26.058008 2.137668 21.050892 # O
833 3 6.741932 9.600408 8.826884 # O
834 3 6.669595 8.905519 7.912174 # O
835 3 24.737440 14.469947 26.368717 # O
836 3 25.172333 14.989062 27.299307 # O
837 3 8.884241 27.092968 -0.034307 # O
838 3 9.463438 27.887178 0.564518 # O
839 3 17.014523 2.751931 23.671844 # O
840 3 17.234295 1.624839 23.592813 # O
841 3 10.652987 6.990814 22.689095 # O
842 3 9.794497 7.238492 21.963633 # O
843 3 1.421784 13.579703 25.032669 # O
844 3 1.183034 12.543851 24.591473 # O
845 3 30.804361 30.264172 8.846875 # O
846 3 31.398165 30.165010 7.865918 # O
847 3 35.983662 34.406586 34.714737 # O
848 3 36.000519 35.504967 35.058189 # O
849 3 27.849443 34.158859 20.990328 # O
850 3 26.895947 34.721794 20.676376 # O
851 3 4.637716 2.810483 34.759079 # O
852 3 5.525655 2.879704 34.030037 # O
853 3 13.114167 35.945950 5.365101 # O
854 3 13.616719 36.650612 6.123734 # O
855 3 25.764624 23.704306 24.738934 # O
856 3 24.637140 23.718168 24.508251 # O
857 3 3.460623 37.667538 -0.082824 # O
858 3 2.912396 38.458172 -0.714503 # O
859 3 34.791172 18.202812 4.546582 # O
860 3 34.345135 17.849298 5.546956 # O
861 3 31.580797 20.994471 17.196888 # O
862 3 31.801413 21.695112 18.082949 # O
863 3 0.498970 7.040255 -0.170716 # O
864 3 1.445406 7.269385 0.442820 # O
865 3 35.299129 4.698025 3.018565 # O
866 3 34.393192 3.987902 2.999957 # O
867 3 11.120962 8.086099 30.567062 # O
868 3 10.605355 8.042617 29.539017 # O
869 3 9.134219 22.449970 13.364902 # O
870 3 8.419010 22.012688 12.576010 # O
871 3 3.034992 11.667995 27.360935 # O
872 3 3.995996 11.758276 26.734129 # O
873 3 2.659737 25.624645 1.043255 # O
874 3 3.779322 25.691942 1.301510 # O
875 3 3.830201 34.341881 23.166466 # O
876 3 4.761220 33.700607 23.382475 # O
877 3 32.250568 12.440459 25.784433 # O
878 3 32.931458 12.355536 24.860386 # O
879 3 11.332044 22.021673 27.653112 # O
880 3 10.352046 22.590858 27.853971 # O
881 3 13.946838 14.990123 5.513263 # O
882 3 14.106851 15.866372 6.242240 # O
883 3 28.438309 0.576986 9.789422 # O
884 3 29.306826 -0.178031 9.773073 # O
885 3 37.711510 25.146927 17.510216 # O
886 3 37.863560 25.447184 16.409307 # O
887 3 29.637506 22.178875 33.413181 # O
888 3 29.326166 21.355259 32.671925 # O
889 3 1.478360 10.668694 18.531645 # O
890 3 0.427772 10.327365 18.208454 # O
891 3 35.948299 29.065248 33.739384 # O
892 3 36.030151 28.169903 33.020859 # O
893 3 36.962059 6.508774 23.794060 # O
894 3 36.820248 5.817337 22.884966 # O
895 3 12.570677 10.706404 17.221588 # O
896 3 12.330139 9.892166 17.998634 # O
897 3 10.783930 37.137486 24.555069 # O
898 3 11.590279 37.045433 25.371149 # O
899 3 6.598175 0.796005 7.738726 # O
900 3 6.606379 0.086821 8.645169 # O