@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3937
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -4.6612     0.7904    -1.6692	S.2	1	noname	-0.0819
2	C1    -5.0202     0.4115    -0.0172	C.2	1	noname	0.0083
3	O1    -4.0213     0.2095     0.8897	O.3	1	noname	-0.1810
4	N1    -6.3143     0.2746     0.3757	N.3	1	noname	-0.0842
5	C2    -2.7294     0.5686     0.6488	C.2	1	noname	0.0247
6	C3    -7.3653     0.4646    -0.5681	C.3	1	noname	-0.0061
7	C4    -6.6123    -0.0573     1.7308	C.3	1	noname	-0.0061
8	C5    -1.7224    -0.3713     0.9479	C.2	1	noname	0.0319
9	C6    -2.3694     1.8556     0.1808	C.2	1	noname	-0.0032
10	C7    -0.3815    -0.0142     0.7439	C.2	1	noname	0.0210
11	C8    -1.0185     2.1996    -0.0200	C.2	1	noname	-0.0170
12	N2     0.7253    -0.7312     0.9690	N.2	1	noname	-0.2340
13	C9    -0.0246     1.2407     0.2570	C.2	1	noname	-0.0490
14	C10     1.7472     0.0727     0.6251	C.2	1	noname	-0.0338
15	N3     1.3222     1.2788     0.1810	N.3	1	noname	-0.0185
16	C11     2.1322     2.3008    -0.2458	C.2	1	noname	-0.0236
17	C12     1.8051     3.0699    -1.3857	C.2	1	noname	-0.0547
18	C13     3.3341     2.5989     0.4372	C.2	1	noname	-0.0547
19	C14     2.6411     4.1129    -1.8197	C.2	1	noname	-0.0619
20	C15     4.1730     3.6399     0.0062	C.2	1	noname	-0.0619
21	C16     3.8250     4.4000    -1.1216	C.2	1	noname	-0.0850
22	H1    -8.3423     0.3197    -0.1051	H	1	noname	0.0399
23	H2    -7.3223     1.4777    -0.9720	H	1	noname	0.0399
24	H3    -7.2623    -0.2512    -1.3850	H	1	noname	0.0399
25	H4    -7.6883    -0.1272     1.8938	H	1	noname	0.0399
26	H5    -6.1614    -1.0182     1.9828	H	1	noname	0.0399
27	H6    -6.2124     0.7096     2.3958	H	1	noname	0.0399
28	H7    -1.9635    -1.2942     1.3089	H	1	noname	0.0673
29	H8    -3.0945     2.5486    -0.0090	H	1	noname	0.0651
30	H9    -0.7715     3.1327    -0.3480	H	1	noname	0.0644
31	H10     2.7272    -0.2091     0.6871	H	1	noname	0.1019
32	H11     0.9591     2.8639    -1.9167	H	1	noname	0.0642
33	H12     3.5990     2.0609     1.2632	H	1	noname	0.0642
34	H13     2.3900     4.6590    -2.6446	H	1	noname	0.0623
35	H14     5.0339     3.8450     0.5142	H	1	noname	0.0623
36	H15     4.4329     5.1570    -1.4355	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	2
8	5	9	1
9	6	22	1
10	6	23	1
11	6	24	1
12	7	25	1
13	7	26	1
14	7	27	1
15	8	10	1
16	8	28	1
17	9	11	2
18	9	29	1
19	10	12	1
20	10	13	2
21	11	13	1
22	11	30	1
23	12	14	2
24	13	15	1
25	14	15	1
26	14	31	1
27	15	16	1
28	16	17	2
29	16	18	1
30	17	19	1
31	17	32	1
32	18	20	2
33	18	33	1
34	19	21	2
35	19	34	1
36	20	21	1
37	20	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1