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clozapine.mol2
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clozapine.mol2
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@<TRIPOS>MOLECULE
ZINC000019796155
42 45 0 0 0
SMALL
USER_CHARGES
NO_NAME
@<TRIPOS>ATOM
1 C1 1.2053 -1.0339 -2.7029 C.3 1 <0> 0.0200
2 N2 0.6231 -1.2728 -1.3755 N.3 1 <0> -0.5400
3 C3 1.4937 -2.1362 -0.5664 C.3 1 <0> 0.0400
4 C4 0.9456 -2.2133 0.8625 C.3 1 <0> 0.1100
5 N5 -0.4627 -2.6330 0.8007 N.pl3 1 <0> -0.6000
6 C6 -0.9207 -3.6840 1.5623 C.2 1 <0> 0.5100
7 N7 -2.1255 -4.0763 1.3459 N.2 1 <0> -0.6000
8 C8 -2.8085 -5.0705 1.9786 C.ar 1 <0> 0.1600
9 C9 -4.1549 -4.8736 2.2960 C.ar 1 <0> -0.1100
10 C10 -4.8806 -5.8825 2.9014 C.ar 1 <0> -0.0200
11 Cl11 -6.5524 -5.6288 3.2943 Cl 1 <0> -0.0700
12 C12 -4.2801 -7.0930 3.1946 C.ar 1 <0> -0.1200
13 C13 -2.9418 -7.2941 2.8995 C.ar 1 <0> -0.1000
14 C14 -2.1996 -6.2853 2.3101 C.ar 1 <0> 0.1100
15 N15 -0.8234 -6.4769 2.1029 N.pl3 1 <0> -0.7300
16 C16 0.0757 -5.6325 2.7574 C.ar 1 <0> 0.2200
17 C17 1.0226 -6.1585 3.6210 C.ar 1 <0> -0.1400
18 C18 1.8894 -5.3159 4.2937 C.ar 1 <0> -0.0800
19 C19 1.8133 -3.9469 4.1102 C.ar 1 <0> -0.1400
20 C20 0.8840 -3.4096 3.2422 C.ar 1 <0> -0.0700
21 C21 0.0171 -4.2535 2.5406 C.ar 1 <0> -0.1500
22 C22 -1.3687 -1.8994 -0.0960 C.3 1 <0> 0.1300
23 C23 -0.7295 -1.8347 -1.4873 C.3 1 <0> 0.0400
24 H24 0.5794 -0.3314 -3.2531 H 1 <0> 0.0700
25 H25 2.2066 -0.6179 -2.5910 H 1 <0> 0.0700
26 H26 1.2620 -1.9753 -3.2495 H 1 <0> 0.0300
27 H27 1.5195 -3.1357 -1.0005 H 1 <0> 0.0400
28 H28 2.5014 -1.7213 -0.5476 H 1 <0> 0.0900
29 H29 1.5197 -2.9410 1.4361 H 1 <0> 0.1000
30 H30 1.0153 -1.2334 1.3347 H 1 <0> 0.0800
31 H31 -4.6298 -3.9310 2.0675 H 1 <0> 0.1400
32 H32 -4.8554 -7.8827 3.6548 H 1 <0> 0.1400
33 H33 -2.4760 -8.2409 3.1298 H 1 <0> 0.1300
34 H34 -0.5044 -7.1810 1.5170 H 1 <0> 0.4100
35 H35 1.0839 -7.2265 3.7693 H 1 <0> 0.1300
36 H36 2.6280 -5.7285 4.9650 H 1 <0> 0.1300
37 H37 2.4850 -3.2947 4.6487 H 1 <0> 0.1300
38 H38 0.8295 -2.3399 3.1036 H 1 <0> 0.1400
39 H39 -2.3248 -2.4195 -0.1562 H 1 <0> 0.1100
40 H40 -1.5215 -0.8893 0.2840 H 1 <0> 0.0700
41 H41 -1.3341 -1.2011 -2.1362 H 1 <0> 0.0900
42 H42 -0.6728 -2.8384 -1.9085 H 1 <0> 0.0400
@<TRIPOS>BOND
1 1 2 1
2 1 24 1
3 1 25 1
4 1 26 1
5 2 23 1
6 2 3 1
7 3 4 1
8 3 27 1
9 3 28 1
10 4 5 1
11 4 29 1
12 4 30 1
13 5 6 1
14 5 22 1
15 6 21 1
16 6 7 2
17 7 8 1
18 8 14 ar
19 8 9 ar
20 9 10 ar
21 9 31 1
22 10 11 1
23 10 12 ar
24 12 13 ar
25 12 32 1
26 13 14 ar
27 13 33 1
28 14 15 1
29 15 16 1
30 15 34 1
31 16 21 ar
32 16 17 ar
33 17 18 ar
34 17 35 1
35 18 19 ar
36 18 36 1
37 19 20 ar
38 19 37 1
39 20 21 ar
40 20 38 1
41 22 23 1
42 22 39 1
43 22 40 1
44 23 41 1
45 23 42 1