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chlorpromazine.mol2
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chlorpromazine.mol2
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@<TRIPOS>MOLECULE
ZINC000000044027
41 43 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 -5.6328 1.3389 0.7014 C.3 1 ZINC000000044027 -0.0500
2 N2 -5.6289 -0.1090 0.4536 N.4 1 ZINC000000044027 -0.3900
3 H3 -6.0239 -0.5875 1.2493 H 1 ZINC000000044027 0.4300
4 C4 -6.4302 -0.4032 -0.7420 C.3 1 ZINC000000044027 -0.0500
5 C5 -4.2489 -0.5661 0.2428 C.3 1 ZINC000000044027 -0.0100
6 C6 -4.2312 -2.0901 0.1087 C.3 1 ZINC000000044027 -0.1900
7 C7 -2.7938 -2.5661 -0.1108 C.3 1 ZINC000000044027 0.1200
8 N8 -2.7769 -4.0254 -0.2392 N.pl3 1 ZINC000000044027 -0.5600
9 C9 -2.9199 -4.5659 -1.5148 C.ar 1 ZINC000000044027 0.1800
10 C10 -3.5613 -3.8131 -2.4925 C.ar 1 ZINC000000044027 -0.1600
11 C11 -3.7174 -4.3158 -3.7707 C.ar 1 ZINC000000044027 -0.0800
12 C12 -3.2367 -5.5721 -4.0860 C.ar 1 ZINC000000044027 -0.1300
13 C13 -2.5987 -6.3296 -3.1210 C.ar 1 ZINC000000044027 -0.0500
14 C14 -2.4391 -5.8322 -1.8347 C.ar 1 ZINC000000044027 -0.1500
15 S15 -1.6288 -6.8191 -0.6229 S.3 1 ZINC000000044027 0.0500
16 C16 -2.0996 -6.0680 0.8980 C.ar 1 ZINC000000044027 -0.1500
17 C17 -1.9492 -6.7776 2.0817 C.ar 1 ZINC000000044027 -0.0400
18 C18 -2.3143 -6.2067 3.2872 C.ar 1 ZINC000000044027 -0.1200
19 C19 -2.8319 -4.9249 3.3150 C.ar 1 ZINC000000044027 0.0000
20 Cl20 -3.2915 -4.2090 4.8283 Cl 1 ZINC000000044027 -0.0500
21 C21 -2.9847 -4.2120 2.1396 C.ar 1 ZINC000000044027 -0.1600
22 C22 -2.6134 -4.7767 0.9221 C.ar 1 ZINC000000044027 0.2000
23 H23 -6.6568 1.6781 0.8578 H 1 ZINC000000044027 0.1300
24 H24 -5.0382 1.5573 1.5886 H 1 ZINC000000044027 0.1200
25 H25 -5.2061 1.8558 -0.1581 H 1 ZINC000000044027 0.1200
26 H26 -6.4273 -1.4776 -0.9259 H 1 ZINC000000044027 0.1200
27 H27 -7.4542 -0.0641 -0.5856 H 1 ZINC000000044027 0.1300
28 H28 -6.0035 0.1136 -1.6016 H 1 ZINC000000044027 0.1200
29 H29 -3.8523 -0.1166 -0.6676 H 1 ZINC000000044027 0.1300
30 H30 -3.6340 -0.2689 1.0924 H 1 ZINC000000044027 0.1400
31 H31 -4.6278 -2.5395 1.0191 H 1 ZINC000000044027 0.1000
32 H32 -4.8461 -2.3872 -0.7408 H 1 ZINC000000044027 0.1000
33 H33 -2.3972 -2.1167 -1.0212 H 1 ZINC000000044027 0.1000
34 H34 -2.1789 -2.2690 0.7388 H 1 ZINC000000044027 0.1000
35 H35 -3.9397 -2.8306 -2.2518 H 1 ZINC000000044027 0.1200
36 H36 -4.2168 -3.7252 -4.5245 H 1 ZINC000000044027 0.1300
37 H37 -3.3594 -5.9624 -5.0855 H 1 ZINC000000044027 0.1400
38 H38 -2.2235 -7.3116 -3.3687 H 1 ZINC000000044027 0.1400
39 H39 -1.5459 -7.7792 2.0610 H 1 ZINC000000044027 0.1500
40 H40 -2.1955 -6.7617 4.2060 H 1 ZINC000000044027 0.1500
41 H41 -3.3909 -3.2117 2.1670 H 1 ZINC000000044027 0.1300
@<TRIPOS>BOND
1 1 2 1
2 1 23 1
3 1 24 1
4 1 25 1
5 2 3 1
6 2 4 1
7 2 5 1
8 4 26 1
9 4 27 1
10 4 28 1
11 5 6 1
12 5 29 1
13 5 30 1
14 6 7 1
15 6 31 1
16 6 32 1
17 7 8 1
18 7 33 1
19 7 34 1
20 8 22 1
21 8 9 1
22 9 14 ar
23 9 10 ar
24 10 11 ar
25 10 35 1
26 11 12 ar
27 11 36 1
28 12 13 ar
29 12 37 1
30 13 14 ar
31 13 38 1
32 14 15 1
33 15 16 1
34 16 22 ar
35 16 17 ar
36 17 18 ar
37 17 39 1
38 18 19 ar
39 18 40 1
40 19 20 1
41 19 21 ar
42 21 22 ar
43 21 41 1
@<TRIPOS>SUBSTRUCTURE
1 ZINC000000044027 1 RESIDUE 1 A ZIN 1