@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3760
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.5344     2.5852    -0.4454	S.3	1	noname	-0.1898
2	C1    -0.1785     1.0123     0.1926	C.2	1	noname	0.0275
3	C2    -2.2134     2.1583    -0.3443	C.2	1	noname	0.0357
4	C3     1.0913     0.4804     0.4486	C.2	1	noname	0.0769
5	C4    -1.2885     0.2134     0.4676	C.2	1	noname	0.0656
6	C5    -2.4675     0.8744     0.1556	C.2	1	noname	0.0264
7	C6    -3.2764     2.9943    -0.7232	C.2	1	noname	-0.0192
8	N1     1.1843    -0.7784     0.9516	N.2	1	noname	-0.2207
9	N2     2.1882     1.2204     0.1887	N.3	1	noname	-0.0928
10	N3    -1.1486    -1.0364     0.9697	N.2	1	noname	-0.2323
11	C7    -3.7845     0.3984     0.2867	C.2	1	noname	-0.0269
12	C8    -4.5985     2.5273    -0.5961	C.2	1	noname	-0.0499
13	C9     0.0883    -1.5363     1.2137	C.2	1	noname	0.0648
14	C10     3.5091     0.7485     0.4127	C.3	1	noname	0.0266
15	C11    -4.8515     1.2354    -0.0931	C.2	1	noname	-0.0524
16	C12     4.4860     1.7895     0.0448	C.2	1	noname	-0.0486
17	C13     4.5190     3.0086     0.7518	C.2	1	noname	-0.0531
18	C14     5.3979     1.5836    -1.0110	C.2	1	noname	-0.0531
19	C15     5.4439     4.0096     0.4059	C.2	1	noname	-0.0594
20	C16     6.3229     2.5826    -1.3580	C.2	1	noname	-0.0594
21	C17     6.3458     3.7966    -0.6499	C.2	1	noname	-0.0613
22	H1    -3.0915     3.9293    -1.0872	H	1	noname	0.0637
23	H2     2.0682     2.1135    -0.1712	H	1	noname	0.1300
24	H3    -3.9675    -0.5384     0.6488	H	1	noname	0.0630
25	H4    -5.3775     3.1273    -0.8691	H	1	noname	0.0623
26	H5     0.1952    -2.4772     1.5927	H	1	noname	0.1062
27	H6     3.6681    -0.1543    -0.1821	H	1	noname	0.0482
28	H7     3.6371     0.4946     1.4668	H	1	noname	0.0482
29	H8    -5.8125     0.9035    -0.0051	H	1	noname	0.0622
30	H9     3.8659     3.1696     1.5209	H	1	noname	0.0626
31	H10     5.3879     0.7057    -1.5310	H	1	noname	0.0626
32	H11     5.4598     4.8896     0.9210	H	1	noname	0.0622
33	H12     6.9778     2.4277    -2.1249	H	1	noname	0.0622
34	H13     7.0178     4.5217    -0.9018	H	1	noname	0.0622
@<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	8	1
8	4	9	1
9	5	10	2
10	5	6	1
11	6	11	1
12	7	12	2
13	7	22	1
14	8	13	2
15	9	14	1
16	9	23	1
17	10	13	1
18	11	15	2
19	11	24	1
20	12	15	1
21	12	25	1
22	13	26	1
23	14	16	1
24	14	27	1
25	14	28	1
26	15	29	1
27	16	17	2
28	16	18	1
29	17	19	1
30	17	30	1
31	18	20	2
32	18	31	1
33	19	21	2
34	19	32	1
35	20	21	1
36	20	33	1
37	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1