@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440373
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    13.4012    -7.0426     0.8895	S.3	1	noname	-0.1802
2	C1    12.1422    -5.8506     0.9956	C.2	1	noname	0.0902
3	C2    12.1892    -8.2486     0.6296	C.2	1	noname	0.0218
4	N1    12.3841    -4.5345     1.2156	N.3	1	noname	-0.1126
5	C3    10.8521    -6.3715     0.8356	C.2	1	noname	0.0389
6	C4    10.8971    -7.7475     0.6256	C.2	1	noname	0.0089
7	C5    13.6021    -3.9715     1.3817	C.2	1	noname	0.1315
8	C6     9.6521    -5.6265     0.8787	C.2	1	noname	0.0210
9	O1    14.6690    -4.6265     1.3457	O.2	1	noname	-0.2765
10	C7    13.6740    -2.5295     1.6167	C.3	1	noname	0.0099
11	O2     9.6560    -4.3905     1.0717	O.2	1	noname	-0.2949
12	N2     8.4520    -6.2055     0.7177	N.3	1	noname	-0.0860
13	H1    12.4061    -9.2355     0.4916	H	1	noname	0.0740
14	H2    11.6160    -3.9435     1.2607	H	1	noname	0.1379
15	H3    10.0731    -8.3335     0.4857	H	1	noname	0.0640
16	H4    14.7120    -2.2204     1.7388	H	1	noname	0.0324
17	H5    13.2400    -2.0014     0.7668	H	1	noname	0.0324
18	H6    13.1170    -2.2804     2.5208	H	1	noname	0.0324
19	H7     7.6500    -5.6624     0.7558	H	1	noname	0.1274
20	H8     8.3850    -7.1604     0.5648	H	1	noname	0.1274
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	3	13	1
7	4	7	1
8	4	14	1
9	5	8	1
10	5	6	1
11	6	15	1
12	7	9	2
13	7	10	1
14	8	11	2
15	8	12	1
16	10	16	1
17	10	17	1
18	10	18	1
19	12	19	1
20	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1