@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4286
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     6.8308    -1.3635     0.5111	O.3	1	noname	-0.2759
2	C1     6.7178    -2.7104     0.5211	C.2	1	noname	0.0196
3	C2     5.4498    -3.3183     0.5322	C.2	1	noname	0.0257
4	C3     7.8617    -3.5263     0.5212	C.2	1	noname	-0.0035
5	O2     4.3368    -2.5503     0.5332	O.3	1	noname	-0.2759
6	C4     5.3428    -4.7222     0.5432	C.2	1	noname	-0.0294
7	C5     7.7747    -4.9202     0.5322	C.2	1	noname	-0.0502
8	C6     9.2406    -3.0663     0.5122	C.3	1	noname	0.0250
9	C7     6.4987    -5.5262     0.5433	C.2	1	noname	-0.0478
10	C8     9.0486    -5.4702     0.5303	C.2	1	noname	0.0226
11	C9    10.0246    -4.3892     0.5222	C.3	1	noname	-0.0211
12	C10     9.4256    -6.7691     0.5343	C.2	1	noname	0.0785
13	C11     8.6296    -7.7590     0.5403	C.1	1	noname	0.0947
14	C12    10.6535    -7.1020     0.5323	C.1	1	noname	0.0947
15	N1     7.9136    -8.6569     0.5454	N.1	1	noname	-0.1747
16	N2    11.7644    -7.3940     0.5314	N.1	1	noname	-0.1747
17	H1     5.9678    -0.8974     0.5121	H	1	noname	0.2183
18	H2     3.4947    -3.0523     0.5423	H	1	noname	0.2183
19	H3     4.4217    -5.1622     0.5513	H	1	noname	0.0651
20	H4     9.4516    -2.4922    -0.3916	H	1	noname	0.0320
21	H5     9.4586    -2.4743     1.4022	H	1	noname	0.0320
22	H6     6.3876    -6.5371     0.5513	H	1	noname	0.0630
23	H7    10.6525    -4.4482    -0.3686	H	1	noname	0.0320
24	H8    10.6505    -4.4352     1.4162	H	1	noname	0.0320
@<TRIPOS>BOND
1	1	2	1
2	1	17	1
3	2	3	2
4	2	4	1
5	3	5	1
6	3	6	1
7	4	7	2
8	4	8	1
9	5	18	1
10	6	9	2
11	6	19	1
12	7	10	1
13	7	9	1
14	8	11	1
15	8	20	1
16	8	21	1
17	9	22	1
18	10	12	2
19	10	11	1
20	11	23	1
21	11	24	1
22	12	13	1
23	12	14	1
24	13	15	3
25	14	16	3
@<TRIPOS>SUBSTRUCTURE
1	noname	1