@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3763
33 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.3506     2.6319     0.4383	S.3	1	noname	-0.1858
2	C1    -0.1076     0.9159     0.5074	C.2	1	noname	0.0371
3	C2    -2.0328     2.3040     0.1683	C.2	1	noname	0.0536
4	C3     1.1093     0.2519     0.7164	C.2	1	noname	0.0915
5	C4    -1.2577     0.1459     0.3314	C.2	1	noname	0.0824
6	C5    -2.3728     0.9480     0.1354	C.2	1	noname	0.0494
7	C6    -3.0209     3.2831    -0.0096	C.2	1	noname	0.0047
8	N1     1.1022    -1.1080     0.7425	N.2	1	noname	-0.2089
9	N2     2.2303     0.9950     0.8955	N.3	1	noname	0.0132
10	N3    -1.2098    -1.2070     0.3624	N.2	1	noname	-0.2213
11	C7    -3.7019     0.5430    -0.0755	C.2	1	noname	0.0482
12	C8    -4.3540     2.8841    -0.2205	C.2	1	noname	0.0261
13	C9    -0.0288    -1.8389     0.5675	C.2	1	noname	0.0788
14	C10     3.4883     0.5301     1.1126	C.2	1	noname	-0.0314
15	C11    -4.7170     1.5141    -0.2564	C.2	1	noname	0.0402
16	C12     4.0332    -0.5798     0.4296	C.2	1	noname	-0.0578
17	C13     4.2963     1.2322     2.0277	C.2	1	noname	-0.0578
18	N4    -6.0171     1.1391    -0.4614	N.2	1	noname	-0.0147
19	C14     5.3542    -0.9918     0.6787	C.2	1	noname	-0.0630
20	C15     5.6172     0.8222     2.2778	C.2	1	noname	-0.0630
21	O1    -6.3471    -0.0168    -0.4973	O.2	1	noname	-0.1447
22	O2    -6.8962     1.9492    -0.6154	O.3	1	noname	-0.1447
23	C16     6.1452    -0.2927     1.6048	C.2	1	noname	-0.0827
24	H1    -2.7759     4.2732     0.0134	H	1	noname	0.0638
25	H2     2.1142     1.9581     0.9126	H	1	noname	0.1357
26	H3    -3.9340    -0.4519    -0.0955	H	1	noname	0.0654
27	H4    -5.0691     3.6012    -0.3505	H	1	noname	0.0647
28	H5     0.0111    -2.8580     0.5925	H	1	noname	0.1062
29	H6     3.4742    -1.0868    -0.2563	H	1	noname	0.0639
30	H7     3.9232     2.0463     2.5188	H	1	noname	0.0639
31	H8     5.7382    -1.7967     0.1837	H	1	noname	0.0623
32	H9     6.1932     1.3343     2.9458	H	1	noname	0.0623
33	H10     7.1042    -0.5906     1.7848	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	8	1
8	4	9	1
9	5	10	2
10	5	6	1
11	6	11	1
12	7	12	2
13	7	24	1
14	8	13	2
15	9	14	1
16	9	25	1
17	10	13	1
18	11	15	2
19	11	26	1
20	12	15	1
21	12	27	1
22	13	28	1
23	14	16	2
24	14	17	1
25	15	18	1
26	16	19	1
27	16	29	1
28	17	20	2
29	17	30	1
30	18	21	2
31	18	22	1
32	19	23	2
33	19	31	1
34	20	23	1
35	20	32	1
36	23	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1