@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4291
20 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    11.0404    -3.6142     0.4197	O.2	1	noname	-0.2724
2	C1     9.7915    -3.5741     0.4588	C.2	1	noname	0.1146
3	N1     9.0295    -4.6770     0.4238	N.3	1	noname	-0.1319
4	C2     8.9855    -2.4182     0.5418	C.2	1	noname	0.0916
5	C3     7.7466    -4.3150     0.4819	C.2	1	noname	0.0053
6	C4     7.6676    -2.9231     0.5559	C.2	1	noname	-0.0103
7	C5     9.4304    -1.0823     0.5958	C.2	1	noname	0.1061
8	C6     6.6006    -5.1259     0.4739	C.2	1	noname	-0.0287
9	C7     6.4046    -2.3001     0.6279	C.2	1	noname	-0.0256
10	C8     8.6205    -0.0713     0.6699	C.1	1	noname	0.1022
11	C9    10.6903    -0.7623     0.5749	C.1	1	noname	0.1022
12	C10     5.3397    -4.5019     0.5450	C.2	1	noname	-0.0400
13	C11     5.2427    -3.0980     0.6219	C.2	1	noname	-0.0545
14	N2     7.9025     0.8226     0.7349	N.1	1	noname	-0.1737
15	N3    11.8012    -0.4742     0.5570	N.1	1	noname	-0.1737
16	H1     9.3584    -5.5869     0.3679	H	1	noname	0.1374
17	H2     6.6756    -6.1428     0.4190	H	1	noname	0.0639
18	H3     6.3116    -1.2892     0.6839	H	1	noname	0.0629
19	H4     4.4907    -5.0688     0.5420	H	1	noname	0.0623
20	H5     4.3247    -2.6550     0.6740	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	16	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	17	1
15	9	13	2
16	9	18	1
17	10	14	3
18	11	15	3
19	12	13	1
20	12	19	1
21	13	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1