@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4285
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    11.7298    -3.4495     0.4202	O.2	1	noname	-0.2724
2	C1    10.4798    -3.4084     0.4582	C.2	1	noname	0.1146
3	N1     9.7138    -4.5094     0.4253	N.3	1	noname	-0.1323
4	C2     9.6768    -2.2505     0.5383	C.2	1	noname	0.0909
5	C3     8.4319    -4.1453     0.4803	C.2	1	noname	0.0021
6	C4     8.3579    -2.7534     0.5513	C.2	1	noname	-0.0142
7	C5    10.1237    -0.9155     0.5893	C.2	1	noname	0.1062
8	C6     7.2829    -4.9502     0.4733	C.2	1	noname	0.0077
9	C7     7.0969    -2.1264     0.6204	C.2	1	noname	0.0118
10	C8     9.3197     0.1014     0.6613	C.1	1	noname	0.1022
11	C9    11.3836    -0.5945     0.5684	C.1	1	noname	0.1022
12	C10     6.0219    -4.3252     0.5403	C.2	1	noname	0.0430
13	C11     5.9299    -2.9163     0.6154	C.2	1	noname	0.0291
14	N2     8.6097     1.0024     0.7244	N.1	1	noname	-0.1736
15	N3    12.4935    -0.3025     0.5504	N.1	1	noname	-0.1736
16	O2     4.9140    -5.1002     0.5304	O.3	1	noname	-0.2738
17	O3     4.7349    -2.2833     0.6844	O.3	1	noname	-0.2761
18	H1    10.0428    -5.4183     0.3703	H	1	noname	0.1374
19	H2     7.3588    -5.9661     0.4194	H	1	noname	0.0668
20	H3     7.0119    -1.1134     0.6744	H	1	noname	0.0658
21	H4     4.0630    -4.6182     0.5674	H	1	noname	0.2183
22	H5     3.9479    -2.8632     0.6925	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	18	1
6	4	6	1
7	4	7	2
8	5	8	1
9	5	6	2
10	6	9	1
11	7	10	1
12	7	11	1
13	8	12	2
14	8	19	1
15	9	13	2
16	9	20	1
17	10	14	3
18	11	15	3
19	12	16	1
20	12	13	1
21	13	17	1
22	16	21	1
23	17	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1