@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3956
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -4.5342    -0.2663    -4.2671	S.2	1	noname	-0.1173
2	C1    -4.5762     0.2396    -2.6131	C.2	1	noname	0.0672
3	N1    -4.6463    -0.6142    -1.5790	N.3	1	noname	-0.1749
4	C2    -4.5373     1.6497    -2.1840	C.3	1	noname	0.0406
5	C3    -4.6813     0.0778    -0.4400	C.2	1	noname	-0.0165
6	C4    -4.6273     1.4397    -0.7310	C.2	1	noname	-0.0291
7	C5    -3.2353     2.3427    -2.6469	C.3	1	noname	0.0462
8	C6    -4.7724    -0.3871     0.8809	C.2	1	noname	-0.0379
9	C7    -4.6783     2.3907     0.3029	C.2	1	noname	-0.0477
10	C8    -3.2234     3.7397    -2.3119	C.2	1	noname	0.1353
11	C9    -4.8134     0.5609     1.9229	C.2	1	noname	-0.0547
12	C10    -4.7694     1.9418     1.6349	C.2	1	noname	-0.0631
13	O1    -2.3654     4.1968    -1.5758	O.2	1	noname	-0.2556
14	O2    -4.1484     4.5467    -2.7938	O.3	1	noname	-0.2186
15	H1    -4.6813    -1.5801    -1.6520	H	1	noname	0.1347
16	H2    -5.4153     2.1787    -2.5569	H	1	noname	0.0427
17	H3    -2.3694     1.8507    -2.1969	H	1	noname	0.0383
18	H4    -3.1524     2.2598    -3.7319	H	1	noname	0.0383
19	H5    -4.8104    -1.3860     1.0829	H	1	noname	0.0639
20	H6    -4.6494     3.3888     0.0949	H	1	noname	0.0626
21	H7    -4.8795     0.2469     2.8919	H	1	noname	0.0623
22	H8    -4.8044     2.6188     2.3970	H	1	noname	0.0622
23	H9    -4.0414     5.4788    -2.5098	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	15	1
6	4	6	1
7	4	7	1
8	4	16	1
9	5	8	1
10	5	6	2
11	6	9	1
12	7	10	1
13	7	17	1
14	7	18	1
15	8	11	2
16	8	19	1
17	9	12	2
18	9	20	1
19	10	13	2
20	10	14	1
21	11	12	1
22	11	21	1
23	12	22	1
24	14	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1