@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3833
24 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     3.2962     4.0780    -1.2135	N.2	1	noname	-0.2808
2	C1     3.7851     2.9711    -0.6085	C.2	1	noname	-0.0026
3	C2     1.9742     4.2500    -1.4414	C.2	1	noname	-0.0026
4	C3     2.9051     1.9592    -0.1934	C.2	1	noname	-0.0199
5	C4     1.0623     3.2611    -1.0414	C.2	1	noname	-0.0199
6	C5     1.5052     2.0872    -0.3864	C.2	1	noname	-0.0034
7	N2     0.6352     1.0853     0.0276	N.3	1	noname	-0.0174
8	C6    -0.7086     1.1044     0.2366	C.2	1	noname	-0.0474
9	C7     1.0021    -0.1934     0.3026	C.2	1	noname	-0.0321
10	C8    -1.1007    -0.1884     0.5926	C.2	1	noname	0.0113
11	C9    -1.6816     2.1284     0.2207	C.2	1	noname	-0.0304
12	N3    -0.0307    -0.9833     0.6316	N.2	1	noname	-0.2288
13	C10    -2.4336    -0.5213     0.8757	C.2	1	noname	-0.0105
14	C11    -3.0266     1.8154     0.5007	C.2	1	noname	-0.0469
15	C12    -3.4026     0.4955     0.8187	C.2	1	noname	-0.0439
16	H1     4.7890     2.8742    -0.4524	H	1	noname	0.0839
17	H2     1.6432     5.0910    -1.9153	H	1	noname	0.0839
18	H3     3.2980     1.1423     0.2715	H	1	noname	0.0658
19	H4     0.0853     3.3941    -1.2823	H	1	noname	0.0658
20	H5     1.9550    -0.5534     0.2366	H	1	noname	0.1019
21	H6    -1.4347     3.0964     0.0377	H	1	noname	0.0643
22	H7    -2.6916    -1.4752     1.1267	H	1	noname	0.0645
23	H8    -3.7326     2.5524     0.4837	H	1	noname	0.0623
24	H9    -4.3796     0.2796     1.0227	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	16	1
5	3	5	2
6	3	17	1
7	4	6	2
8	4	18	1
9	5	6	1
10	5	19	1
11	6	7	1
12	7	8	1
13	7	9	1
14	8	10	2
15	8	11	1
16	9	12	2
17	9	20	1
18	10	13	1
19	10	12	1
20	11	14	2
21	11	21	1
22	13	15	2
23	13	22	1
24	14	15	1
25	14	23	1
26	15	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1