@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3957
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -5.9651     0.7109    -4.2710	S.2	1	noname	-0.1159
2	C1    -5.5542     0.8920    -2.6001	C.2	1	noname	0.0705
3	N1    -5.2843    -0.1388    -1.7671	N.3	1	noname	-0.1683
4	C2    -5.4662     2.2049    -1.9381	C.3	1	noname	0.0408
5	C3    -4.9894     0.3611    -0.5571	C.2	1	noname	-0.0152
6	C4    -5.3004    -1.5187    -2.1140	C.3	1	noname	-0.0029
7	C5    -5.0723     1.7530    -0.5981	C.2	1	noname	-0.0278
8	C6    -6.8202     2.9500    -1.9860	C.3	1	noname	0.0463
9	C7    -4.6274    -0.3077     0.6258	C.2	1	noname	-0.0366
10	C8    -4.7824     2.5220     0.5428	C.2	1	noname	-0.0473
11	C9    -6.7273     4.2690    -1.4250	C.2	1	noname	0.1353
12	C10    -4.3445     0.4552     1.7758	C.2	1	noname	-0.0543
13	C11    -4.4204     1.8631     1.7338	C.2	1	noname	-0.0625
14	O1    -7.3983     4.5830    -0.4550	O.2	1	noname	-0.2556
15	O2    -5.9054     5.1580    -1.9469	O.3	1	noname	-0.2186
16	H1    -4.6753     2.8009    -2.3970	H	1	noname	0.0427
17	H2    -5.5674    -1.6607    -3.1619	H	1	noname	0.0402
18	H3    -4.3125    -1.9506    -1.9450	H	1	noname	0.0402
19	H4    -6.0294    -2.0436    -1.4950	H	1	noname	0.0402
20	H5    -7.1333     3.0550    -3.0259	H	1	noname	0.0383
21	H6    -7.5813     2.3770    -1.4520	H	1	noname	0.0383
22	H7    -4.5674    -1.3256     0.6518	H	1	noname	0.0639
23	H8    -4.8334     3.5400     0.5118	H	1	noname	0.0626
24	H9    -4.0805    -0.0126     2.6428	H	1	noname	0.0623
25	H10    -4.2105     2.4071     2.5708	H	1	noname	0.0622
26	H11    -5.9224     6.0240    -1.4889	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	6	1
6	4	7	1
7	4	8	1
8	4	16	1
9	5	9	1
10	5	7	2
11	6	17	1
12	6	18	1
13	6	19	1
14	7	10	1
15	8	11	1
16	8	20	1
17	8	21	1
18	9	12	2
19	9	22	1
20	10	13	2
21	10	23	1
22	11	14	2
23	11	15	1
24	12	13	1
25	12	24	1
26	13	25	1
27	15	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1