@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4287
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    11.0443    -3.6154     0.4199	O.2	1	noname	-0.2724
2	C1     9.7953    -3.5744     0.4589	C.2	1	noname	0.1147
3	N1     9.0303    -4.6773     0.4250	N.3	1	noname	-0.1340
4	C2     8.9883    -2.4184     0.5400	C.2	1	noname	0.0937
5	C3     7.7473    -4.3153     0.4810	C.2	1	noname	-0.0073
6	C4     7.6703    -2.9224     0.5530	C.2	1	noname	-0.0005
7	C5     9.4342    -1.0844     0.5950	C.2	1	noname	0.1064
8	C6     6.6013    -5.1232     0.4730	C.2	1	noname	-0.0190
9	C7     6.4093    -2.2973     0.6210	C.2	1	noname	0.0028
10	C8     8.6273    -0.0714     0.6700	C.1	1	noname	0.1022
11	C9    10.6932    -0.7644     0.5740	C.1	1	noname	0.1022
12	C10     5.3413    -4.4982     0.5411	C.2	1	noname	-0.0112
13	C11     5.2454    -3.0913     0.6160	C.2	1	noname	0.0055
14	N2     7.9092     0.8225     0.7361	N.1	1	noname	-0.1736
15	N3    11.8051    -0.4784     0.5561	N.1	1	noname	-0.1736
16	O2     4.0374    -2.4892     0.6831	O.3	1	noname	-0.2860
17	H1     9.3592    -5.5863     0.3700	H	1	noname	0.1374
18	H2     6.6763    -6.1411     0.4201	H	1	noname	0.0640
19	H3     6.3203    -1.2863     0.6750	H	1	noname	0.0657
20	H4     4.4934    -5.0681     0.5371	H	1	noname	0.0650
21	H5     3.2714    -3.1002     0.6821	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	17	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	18	1
15	9	13	2
16	9	19	1
17	10	14	3
18	11	15	3
19	12	13	1
20	12	20	1
21	13	16	1
22	16	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1