@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4288
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    12.0370    -2.9571     0.2532	O.2	1	noname	-0.2713
2	C1    10.7879    -2.9591     0.3422	C.2	1	noname	0.1173
3	N1    10.0429    -4.0900     0.3533	N.3	1	noname	-0.1283
4	C2     9.9689    -1.8111     0.4433	C.2	1	noname	0.0949
5	C3     8.7489    -3.7310     0.4583	C.2	1	noname	-0.0061
6	C4    10.5449    -5.4210     0.2673	C.3	1	noname	-0.0003
7	C5     8.6599    -2.3350     0.5163	C.2	1	noname	0.0009
8	C6    10.3989    -0.4690     0.4623	C.2	1	noname	0.1067
9	C7     7.5988    -4.5399     0.5104	C.2	1	noname	-0.0175
10	C8     7.3968    -1.7160     0.6303	C.2	1	noname	0.0032
11	C9     9.5838     0.5379     0.5583	C.1	1	noname	0.1022
12	C10    11.6528    -0.1330     0.3844	C.1	1	noname	0.1022
13	C11     6.3388    -3.9229     0.6244	C.2	1	noname	-0.0108
14	C12     6.2388    -2.5169     0.6853	C.2	1	noname	0.0063
15	N2     8.8638     1.4280     0.6424	N.1	1	noname	-0.1736
16	N3    12.7588     0.1690     0.3164	N.1	1	noname	-0.1736
17	O2     5.0358    -1.9109     0.7974	O.3	1	noname	-0.2859
18	H1    11.6348    -5.4239     0.2064	H	1	noname	0.0403
19	H2    10.2478    -5.9890     1.1493	H	1	noname	0.0403
20	H3    10.1478    -5.9120    -0.6206	H	1	noname	0.0403
21	H4     7.6778    -5.5559     0.4664	H	1	noname	0.0640
22	H5     7.3038    -0.7019     0.6753	H	1	noname	0.0657
23	H6     5.4978    -4.4999     0.6634	H	1	noname	0.0650
24	H7     4.2647    -2.5129     0.8375	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	6	1
6	4	7	1
7	4	8	2
8	5	9	1
9	5	7	2
10	6	18	1
11	6	19	1
12	6	20	1
13	7	10	1
14	8	11	1
15	8	12	1
16	9	13	2
17	9	21	1
18	10	14	2
19	10	22	1
20	11	15	3
21	12	16	3
22	13	14	1
23	13	23	1
24	14	17	1
25	17	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1