@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439713
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    10.2798    -3.6250     1.5903	S.3	1	noname	-0.1498
2	C1    10.4758    -2.1011     0.7764	C.2	1	noname	0.1124
3	C2     9.6878    -2.7120     2.9323	C.2	1	noname	0.0467
4	N1    10.1177    -1.0131     1.4804	N.2	1	noname	-0.1909
5	N2    10.9467    -1.9570    -0.4794	N.3	1	noname	-0.0936
6	C3     9.6698    -1.3401     2.6973	C.2	1	noname	0.0354
7	C4     9.2478    -3.2359     4.1583	C.2	1	noname	0.0021
8	C5    11.3306    -2.9670    -1.2923	C.2	1	noname	0.1372
9	C6     9.2118    -0.4541     3.6813	C.2	1	noname	-0.0041
10	C7     8.7738    -2.3679     5.1752	C.2	1	noname	-0.0244
11	O1    11.2855    -4.1698    -0.9503	O.2	1	noname	-0.2752
12	C8    11.8175    -2.6529    -2.6351	C.3	1	noname	0.0099
13	C9     8.7658    -0.9720     4.9113	C.2	1	noname	-0.0286
14	C10     8.3158    -2.8818     6.4252	C.2	1	noname	-0.0338
15	C11     8.9007    -4.0247     7.0182	C.2	1	noname	-0.0084
16	C12     7.2518    -2.2759     7.1322	C.2	1	noname	-0.0038
17	N3     8.4487    -4.4996     8.2052	N.2	1	noname	-0.2576
18	C13     6.8038    -2.7808     8.3631	C.2	1	noname	0.0196
19	C14     7.4318    -3.9236     8.8862	C.2	1	noname	0.0480
20	O2     5.7709    -2.1708     9.0042	O.3	1	noname	-0.2669
21	N4     7.0378    -4.4626    10.0491	N.3	1	noname	-0.1077
22	C15     6.0768    -1.3138    10.1061	C.3	1	noname	0.0424
23	H1    11.0126    -1.0541    -0.8253	H	1	noname	0.1394
24	H2     9.2628    -4.2468     4.2943	H	1	noname	0.0644
25	H3     9.2017     0.5518     3.5084	H	1	noname	0.0646
26	H4    11.1785    -3.1388    -3.3730	H	1	noname	0.0324
27	H5    12.8374    -3.0199    -2.7451	H	1	noname	0.0324
28	H6    11.8045    -1.5749    -2.8041	H	1	noname	0.0324
29	H7     8.4438    -0.3140     5.6223	H	1	noname	0.0629
30	H8     9.6787    -4.5056     6.5663	H	1	noname	0.0846
31	H9     6.7818    -1.4549     6.7483	H	1	noname	0.0658
32	H10     7.4847    -5.2515    10.3911	H	1	noname	0.1258
33	H11     6.3038    -4.0635    10.5421	H	1	noname	0.1258
34	H12     5.1468    -0.9038    10.5012	H	1	noname	0.0535
35	H13     6.5817    -1.8687    10.8971	H	1	noname	0.0535
36	H14     6.7127    -0.4898     9.7772	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	6	1
8	5	8	1
9	5	23	1
10	6	9	1
11	7	10	2
12	7	24	1
13	8	11	2
14	8	12	1
15	9	13	2
16	9	25	1
17	10	14	1
18	10	13	1
19	12	26	1
20	12	27	1
21	12	28	1
22	13	29	1
23	14	15	2
24	14	16	1
25	15	17	1
26	15	30	1
27	16	18	2
28	16	31	1
29	17	19	2
30	18	20	1
31	18	19	1
32	19	21	1
33	20	22	1
34	21	32	1
35	21	33	1
36	22	34	1
37	22	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1