@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4289
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.8296    -1.2476     0.7484	O.2	1	noname	-0.1448
2	N1     3.9486    -2.4436     0.6904	N.2	1	noname	-0.0156
3	O2     2.9255    -3.0816     0.6945	O.3	1	noname	-0.1448
4	C1     5.1756    -3.0456     0.6245	C.2	1	noname	0.0405
5	C2     6.3577    -2.2655     0.6295	C.2	1	noname	0.0603
6	C3     5.2906    -4.4566     0.5515	C.2	1	noname	0.0467
7	C4     7.6187    -2.8885     0.5615	C.2	1	noname	0.0173
8	C5     6.5486    -5.0837     0.4826	C.2	1	noname	-0.0011
9	C6     8.9357    -2.3834     0.5486	C.2	1	noname	0.0951
10	C7     7.6957    -4.2785     0.4896	C.2	1	noname	0.0375
11	C8     9.7437    -3.5395     0.4676	C.2	1	noname	0.1151
12	C9     9.3827    -1.0483     0.6006	C.2	1	noname	0.1065
13	N2     8.9787    -4.6405     0.4346	N.3	1	noname	-0.1289
14	O3    10.9928    -3.5774     0.4307	O.2	1	noname	-0.2724
15	C10     8.5776    -0.0352     0.6727	C.1	1	noname	0.1022
16	C11    10.6417    -0.7273     0.5807	C.1	1	noname	0.1022
17	N3     7.8645     0.8638     0.7367	N.1	1	noname	-0.1736
18	N4    11.7527    -0.4352     0.5637	N.1	1	noname	-0.1736
19	H1     6.2806    -1.2504     0.6825	H	1	noname	0.0654
20	H2     4.4485    -5.0347     0.5466	H	1	noname	0.0647
21	H3     6.6196    -6.0997     0.4286	H	1	noname	0.0640
22	H4     9.3097    -5.5495     0.3797	H	1	noname	0.1374
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	19	1
8	6	8	2
9	6	20	1
10	7	9	1
11	7	10	2
12	8	10	1
13	8	21	1
14	9	11	1
15	9	12	2
16	10	13	1
17	11	14	2
18	11	13	1
19	12	15	1
20	12	16	1
21	13	22	1
22	15	17	3
23	16	18	3
@<TRIPOS>SUBSTRUCTURE
1	noname	1