@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3877
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.1779     3.4745     3.8313	S.3	1	noname	-0.2355
2	C1     1.0359     2.0025     3.4943	C.2	1	noname	0.0433
3	C2     1.3959     3.9255     4.9754	C.2	1	noname	-0.0160
4	N1     0.6028     1.0635     2.5944	N.3	1	noname	-0.0148
5	C3     2.2069     1.9046     4.2524	C.2	1	noname	-0.0235
6	C4     2.4109     2.9895     5.0895	C.2	1	noname	-0.0284
7	C5    -0.4961     1.0976     1.8094	C.2	1	noname	-0.0522
8	C6     1.2118    -0.1133     2.3164	C.2	1	noname	-0.0323
9	C7    -0.5142    -0.0833     1.0674	C.2	1	noname	0.0187
10	C8    -1.5242     2.0446     1.6355	C.2	1	noname	-0.0186
11	N2     0.5477    -0.8263     1.3895	N.2	1	noname	-0.2393
12	C9    -1.5323    -0.3652     0.1455	C.2	1	noname	0.0236
13	C10    -2.5543     1.7747     0.7125	C.2	1	noname	-0.0112
14	C11    -2.5694     0.5777    -0.0344	C.2	1	noname	0.0193
15	O1    -3.6074     0.4018    -0.9044	O.3	1	noname	-0.2753
16	C12    -3.7474    -0.7721    -1.7083	C.3	1	noname	0.0423
17	H1     1.3679     4.7926     5.5114	H	1	noname	0.0739
18	H2     2.8549     1.1186     4.2034	H	1	noname	0.0651
19	H3     3.2118     3.0875     5.7135	H	1	noname	0.0632
20	H4     2.0757    -0.4403     2.7505	H	1	noname	0.1019
21	H5    -1.5392     2.9167     2.1595	H	1	noname	0.0644
22	H6    -1.5173    -1.2382    -0.3804	H	1	noname	0.0673
23	H7    -3.3023     2.4578     0.5825	H	1	noname	0.0650
24	H8    -2.8895    -0.8801    -2.3733	H	1	noname	0.0535
25	H9    -3.8365    -1.6561    -1.0753	H	1	noname	0.0535
26	H10    -4.6505    -0.6791    -2.3113	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	3	17	1
7	4	7	1
8	4	8	1
9	5	6	1
10	5	18	1
11	6	19	1
12	7	9	2
13	7	10	1
14	8	11	2
15	8	20	1
16	9	12	1
17	9	11	1
18	10	13	2
19	10	21	1
20	12	14	2
21	12	22	1
22	13	14	1
23	13	23	1
24	14	15	1
25	15	16	1
26	16	24	1
27	16	25	1
28	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1