@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447513
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.9759    -0.1774     4.0857	S.2	1	noname	-0.1289
2	C1     0.7979     0.0056     2.3717	C.2	1	noname	0.0329
3	C2     0.7738    -1.1413     1.5367	C.2	1	noname	-0.0681
4	C3     0.6778     1.3017     1.8078	C.2	1	noname	-0.0350
5	C4     0.6268    -0.9572     0.1378	C.2	1	noname	-0.0098
6	C5     0.8898    -2.4483     2.0528	C.2	1	noname	-0.0395
7	C6     0.5338     1.4177     0.4018	C.2	1	noname	-0.0077
8	C7     0.6968     2.4697     2.5988	C.2	1	noname	-0.0378
9	N1     0.5137     0.2997    -0.3781	N.3	1	noname	-0.0167
10	C8     0.5987    -2.0702    -0.7221	C.2	1	noname	-0.0636
11	C9     0.8607    -3.5563     1.1889	C.2	1	noname	-0.0867
12	C10     0.4107     2.6868    -0.1931	C.2	1	noname	-0.0536
13	C11     0.5737     3.7338     1.9989	C.2	1	noname	-0.0781
14	C12     0.7147    -3.3692    -0.1981	C.2	1	noname	-0.0266
15	C13     0.4307     3.8429     0.6049	C.2	1	noname	-0.0531
16	N2     0.6877    -4.4312    -1.0190	N.3	1	noname	-0.1539
17	H1     0.9957    -2.6032     3.0559	H	1	noname	0.0630
18	H2     0.7987     2.4088     3.6129	H	1	noname	0.0630
19	H3     0.4146     0.4028    -1.3381	H	1	noname	0.1342
20	H4     0.4927    -1.9342    -1.7281	H	1	noname	0.0656
21	H5     0.9457    -4.4982     1.5729	H	1	noname	0.0639
22	H6     0.3067     2.7719    -1.2051	H	1	noname	0.0639
23	H7     0.5877     4.5749     2.5760	H	1	noname	0.0622
24	H8     0.3416     4.7630     0.1719	H	1	noname	0.0623
25	H9     0.5866    -4.3031    -1.9760	H	1	noname	0.1242
26	H10     0.7686    -5.3272    -0.6590	H	1	noname	0.1242
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	2
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	2
11	6	17	1
12	7	12	1
13	7	9	1
14	8	13	2
15	8	18	1
16	9	19	1
17	10	14	2
18	10	20	1
19	11	14	1
20	11	21	1
21	12	15	2
22	12	22	1
23	13	15	1
24	13	23	1
25	14	16	1
26	15	24	1
27	16	25	1
28	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1