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cy5.mol2
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cy5.mol2
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@<TRIPOS>MOLECULE
RES
53 56 1 0 1
SMALL
NO_CHARGES
@<TRIPOS>CRYSIN
22.4813 11.5420 9.8884 90.0000 90.0000 90.0000 1 1
@<TRIPOS>ATOM
1 C0 -3.0156 -0.6734 0.1645 C0 1 RES
2 C0 -1.7400 -1.0735 0.2896 C0 1 RES
3 C0 -1.2626 -2.4016 -0.1545 C0 1 RES
4 C0 0.0277 -2.7144 -0.3390 C0 1 RES
5 C0 1.1443 -1.7506 -0.2389 C0 1 RES
6 C0 2.4110 -2.1703 -0.3095 C0 1 RES
7 C0 3.6022 -1.2916 -0.2311 C0 1 RES
8 N1 4.7851 -1.8251 -0.3089 N1 1 RES
9 C0 5.7320 -0.7822 -0.2027 C0 1 RES
10 C0 5.1260 0.4341 -0.0538 C0 1 RES
11 C2 3.6403 0.2339 -0.0571 C2 1 RES
12 C2 3.0222 0.9806 -1.2528 C2 1 RES
13 C2 3.0545 0.6895 1.2914 C2 1 RES
14 C0 5.8788 1.6065 0.0710 C0 1 RES
15 C0 7.2802 1.5057 0.0400 C0 1 RES
16 C0 7.8990 0.2484 -0.1135 C0 1 RES
17 C0 7.1192 -0.9139 -0.2369 C0 1 RES
18 C2 -3.5422 0.6681 0.6521 C2 1 RES
19 C0 -4.9823 0.5567 0.2269 C0 1 RES
20 C0 -5.2102 -0.6487 -0.4008 C0 1 RES
21 C0 -6.4674 -0.9893 -0.8991 C0 1 RES
22 C0 -7.5168 -0.0694 -0.7447 C0 1 RES
23 C0 -7.2919 1.1639 -0.1027 C0 1 RES
24 C0 -6.0158 1.4855 0.3885 C0 1 RES
25 N1 -4.0429 -1.4435 -0.4683 N1 1 RES
26 C2 -3.4326 0.7933 2.1800 C2 1 RES
27 C2 -2.8515 1.8392 -0.0657 C2 1 RES
28 H3 -1.0463 -0.3995 0.7717 H3 1 RES
29 H3 -1.9850 -3.1924 -0.3054 H3 1 RES
30 H3 0.2590 -3.7390 -0.6083 H3 1 RES
31 H3 0.9261 -0.7063 -0.1349 H3 1 RES
32 H3 2.5990 -3.2318 -0.4277 H3 1 RES
33 H4 3.4427 0.6001 -2.2089 H4 1 RES
34 H4 3.2420 2.0674 -1.1824 H4 1 RES
35 H4 1.9221 0.8686 -1.2874 H4 1 RES
36 H4 1.9554 0.5670 1.3278 H4 1 RES
37 H4 3.4993 0.1057 2.1262 H4 1 RES
38 H4 3.2735 1.7654 1.4617 H4 1 RES
39 H3 5.3972 2.5683 0.1885 H3 1 RES
40 H3 7.8866 2.3971 0.1345 H3 1 RES
41 H3 8.9786 0.1779 -0.1365 H3 1 RES
42 H3 7.5832 -1.8844 -0.3550 H3 1 RES
43 H3 -6.6312 -1.9388 -1.3919 H3 1 RES
44 H3 -8.5027 -0.3090 -1.1214 H3 1 RES
45 H3 -8.1057 1.8680 0.0118 H3 1 RES
46 H3 -5.8389 2.4332 0.8799 H3 1 RES
47 H5 -3.9613 -2.3661 -0.9489 H5 1 RES
48 H4 -3.9143 1.7322 2.5274 H4 1 RES
49 H4 -3.9322 -0.0652 2.6795 H4 1 RES
50 H4 -2.3675 0.8124 2.4944 H4 1 RES
51 H4 -1.7751 1.8834 0.2046 H4 1 RES
52 H4 -2.9335 1.7248 -1.1685 H4 1 RES
53 H4 -3.3218 2.8030 0.2246 H4 1 RES
@<TRIPOS>BOND
1 1 2 1
2 1 18 1
3 1 25 1
4 2 3 1
5 2 28 1
6 3 4 1
7 3 29 1
8 4 5 1
9 4 30 1
10 5 6 1
11 5 31 1
12 6 7 1
13 6 32 1
14 7 8 1
15 7 11 1
16 8 9 1
17 9 10 1
18 9 17 1
19 10 11 1
20 10 14 1
21 11 12 1
22 11 13 1
23 12 33 1
24 12 34 1
25 12 35 1
26 13 36 1
27 13 37 1
28 13 38 1
29 14 15 1
30 14 39 1
31 15 16 1
32 15 40 1
33 16 17 1
34 16 41 1
35 17 42 1
36 18 19 1
37 18 26 1
38 18 27 1
39 19 20 1
40 19 24 1
41 20 21 1
42 20 25 1
43 21 22 1
44 21 43 1
45 22 23 1
46 22 44 1
47 23 24 1
48 23 45 1
49 24 46 1
50 25 47 1
51 26 48 1
52 26 49 1
53 26 50 1
54 27 51 1
55 27 52 1
56 27 53 1
@<TRIPOS>SUBSTRUCTURE
1 RES 1 RESIDUE 0 **** ROOT 0