@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3960
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -5.9908     0.6247    -4.1999	S.2	1	noname	-0.1175
2	C1    -5.6388     0.8678    -2.5238	C.2	1	noname	0.0669
3	N1    -5.4189    -0.1491    -1.6737	N.3	1	noname	-0.1750
4	C2    -5.4929     2.1879    -1.8767	C.3	1	noname	0.0318
5	C3    -5.1029     0.3389    -0.4746	C.2	1	noname	-0.0166
6	C4    -5.1169     1.7309    -0.5326	C.2	1	noname	-0.0293
7	C5    -6.7910     3.0270    -1.8577	C.3	1	noname	-0.0311
8	C6    -4.7779    -0.3420     0.7083	C.2	1	noname	-0.0379
9	C7    -4.7950     2.4950     0.6014	C.2	1	noname	-0.0478
10	C8    -7.1400     3.5880    -3.2487	C.3	1	noname	0.0344
11	C9    -4.4600     0.4170     1.8524	C.2	1	noname	-0.0547
12	C10    -4.4660     1.8270     1.7985	C.2	1	noname	-0.0631
13	C11    -8.2571     4.4871    -3.1696	C.2	1	noname	0.1348
14	O1    -8.1372     5.6592    -3.4846	O.2	1	noname	-0.2559
15	O2    -9.4312     4.0532    -2.7555	O.3	1	noname	-0.2189
16	H1    -5.4509    -1.0901    -1.9077	H	1	noname	0.1347
17	H2    -4.6749     2.7490    -2.3307	H	1	noname	0.0422
18	H3    -7.6241     2.4220    -1.4937	H	1	noname	0.0282
19	H4    -6.6510     3.8700    -1.1786	H	1	noname	0.0282
20	H5    -4.7690    -1.3620     0.7394	H	1	noname	0.0639
21	H6    -4.8010     3.5151     0.5604	H	1	noname	0.0626
22	H7    -6.2740     4.1161    -3.6506	H	1	noname	0.0372
23	H8    -7.4021     2.7730    -3.9217	H	1	noname	0.0372
24	H9    -4.2200    -0.0559     2.7235	H	1	noname	0.0623
25	H10    -4.2321     2.3671     2.6325	H	1	noname	0.0622
26	H11   -10.1223     4.7482    -2.7395	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	16	1
6	4	6	1
7	4	7	1
8	4	17	1
9	5	8	1
10	5	6	2
11	6	9	1
12	7	10	1
13	7	18	1
14	7	19	1
15	8	11	2
16	8	20	1
17	9	12	2
18	9	21	1
19	10	13	1
20	10	22	1
21	10	23	1
22	11	12	1
23	11	24	1
24	12	25	1
25	13	14	2
26	13	15	1
27	15	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1