@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3876
24 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -1.6454     1.7320     1.8187	N.2	1	noname	-0.2425
2	C1    -0.6824     0.8130     2.0888	C.2	1	noname	0.0853
3	C2    -2.6235     1.4821     0.9067	C.2	1	noname	-0.0053
4	N2     0.3606     0.8341     2.9419	N.3	1	noname	0.0049
5	C3    -0.6854    -0.4179     1.4407	C.2	1	noname	0.0516
6	C4    -2.6585     0.2490     0.2227	C.2	1	noname	-0.0431
7	C5     0.7486     1.8472     3.7909	C.2	1	noname	-0.0225
8	C6     0.9596    -0.3739     2.7939	C.2	1	noname	-0.0383
9	N3     0.3415    -1.1499     1.8838	N.2	1	noname	-0.2197
10	C7    -1.6745    -0.7188     0.4937	C.2	1	noname	0.0002
11	C8     1.4816     1.5672     4.9700	C.2	1	noname	-0.0525
12	C9     0.4355     3.2013     3.5200	C.2	1	noname	-0.0525
13	C10     1.8805     2.5943     5.8431	C.2	1	noname	-0.0613
14	C11     0.8314     4.2304     4.3901	C.2	1	noname	-0.0613
15	C12     1.5545     3.9274     5.5532	C.2	1	noname	-0.0833
16	H1    -3.3346     2.1892     0.7187	H	1	noname	0.0840
17	H2    -3.3926     0.0611    -0.4602	H	1	noname	0.0639
18	H3     1.7946    -0.6719     3.2999	H	1	noname	0.1019
19	H4    -1.6806    -1.6198     0.0157	H	1	noname	0.0647
20	H5     1.7205     0.6052     5.2101	H	1	noname	0.0642
21	H6    -0.0755     3.4513     2.6740	H	1	noname	0.0642
22	H7     2.4045     2.3693     6.6892	H	1	noname	0.0623
23	H8     0.5954     5.1995     4.1741	H	1	noname	0.0623
24	H9     1.8425     4.6745     6.1863	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	16	1
7	4	7	1
8	4	8	1
9	5	9	1
10	5	10	2
11	6	10	1
12	6	17	1
13	7	11	2
14	7	12	1
15	8	9	2
16	8	18	1
17	10	19	1
18	11	13	1
19	11	20	1
20	12	14	2
21	12	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