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safinamide.mol2
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@<TRIPOS>MOLECULE
ZINC53084692
41 42 0 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 -0.0187 1.5258 0.0104 C.3 1 <0> -0.1381
2 C2 0.0021 -0.0041 0.0020 C.3 1 <0> 0.0640
3 H1 0.5123 -0.3556 -0.8948 H 1 <0> 0.0725
4 C3 0.7309 -0.5033 1.2229 C.2 1 <0> 0.5158
5 O1 0.1587 -1.2128 2.0229 O.2 1 <0> -0.5326
6 N1 2.0187 -0.1613 1.4257 N.am 1 <0> -0.8529
7 N2 -1.3761 -0.5125 0.0124 N.3 1 <0> -0.6692
8 C4 -1.9244 -0.5753 -1.3489 C.3 1 <0> 0.1032
9 C5 -3.3361 -1.1002 -1.2982 C.ar 1 <0> -0.1230
10 C6 -3.5702 -2.4602 -1.3837 C.ar 1 <0> -0.0712
11 C7 -4.8634 -2.9439 -1.3379 C.ar 1 <0> -0.1501
12 C8 -5.9276 -2.0638 -1.2056 C.ar 1 <0> 0.1320
13 C9 -5.6900 -0.6997 -1.1196 C.ar 1 <0> -0.2101
14 C10 -4.3946 -0.2214 -1.1606 C.ar 1 <0> -0.0536
15 O2 -7.2007 -2.5372 -1.1608 O.3 1 <0> -0.3085
16 C11 -8.2467 -1.5733 -1.0234 C.3 1 <0> 0.1013
17 C12 -9.5784 -2.2782 -0.9920 C.ar 1 <0> -0.0687
18 C13 -10.2613 -2.5178 -2.1702 C.ar 1 <0> -0.1055
19 C14 -11.4828 -3.1642 -2.1430 C.ar 1 <0> -0.0922
20 C15 -12.0231 -3.5714 -0.9378 C.ar 1 <0> -0.1431
21 C16 -11.3403 -3.3320 0.2425 C.ar 1 <0> 0.0970
22 C17 -10.1137 -2.6897 0.2135 C.ar 1 <0> -0.1299
23 F1 -11.8677 -3.7291 1.4211 F 1 <0> -0.1365
24 H2 1.0039 1.9031 0.0027 H 1 <0> 0.0615
25 H3 -0.5459 1.8868 -0.8726 H 1 <0> 0.0686
26 H4 -0.5289 1.8773 0.9072 H 1 <0> 0.0695
27 H5 2.4764 0.4061 0.7859 H 1 <0> 0.4024
28 H6 2.4879 -0.4826 2.2116 H 1 <0> 0.4043
29 H7 -1.4257 -1.4134 0.4641 H 1 <0> 0.3579
30 H8 -1.9233 0.4226 -1.7874 H 1 <0> 0.0824
31 H9 -1.3112 -1.2401 -1.9573 H 1 <0> 0.0402
32 H10 -2.7414 -3.1449 -1.4867 H 1 <0> 0.1265
33 H11 -5.0458 -4.0063 -1.4054 H 1 <0> 0.1310
34 H12 -6.5168 -0.0126 -1.0166 H 1 <0> 0.1283
35 H13 -4.2089 0.8401 -1.0893 H 1 <0> 0.1267
36 H14 -8.1084 -1.0166 -0.0965 H 1 <0> 0.0755
37 H15 -8.2198 -0.8849 -1.8681 H 1 <0> 0.0771
38 H16 -9.8402 -2.1994 -3.1123 H 1 <0> 0.1328
39 H17 -12.0153 -3.3508 -3.0639 H 1 <0> 0.1378
40 H18 -12.9779 -4.0758 -0.9167 H 1 <0> 0.1388
41 H19 -9.5781 -2.5064 1.1331 H 1 <0> 0.1382
@<TRIPOS>BOND
1 1 2 1
2 1 24 1
3 1 25 1
4 1 26 1
5 2 3 1
6 2 4 1
7 2 7 1
8 4 5 2
9 4 6 am
10 6 27 1
11 6 28 1
12 7 8 1
13 7 29 1
14 8 9 1
15 8 30 1
16 8 31 1
17 9 14 ar
18 9 10 ar
19 10 11 ar
20 10 32 1
21 11 12 ar
22 11 33 1
23 12 13 ar
24 12 15 1
25 13 14 ar
26 13 34 1
27 14 35 1
28 15 16 1
29 16 17 1
30 16 36 1
31 16 37 1
32 17 22 ar
33 17 18 ar
34 18 19 ar
35 18 38 1
36 19 20 ar
37 19 39 1
38 20 21 ar
39 20 40 1
40 21 22 ar
41 21 23 1
42 22 41 1