@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3792
25 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.9562    -0.2607    -0.1738	N.2	1	noname	-0.2802
2	N2     0.5772     0.9892    -0.1477	N.3	1	noname	0.0064
3	C1    -0.0547    -1.0696     0.1882	C.2	1	noname	0.0302
4	C2     1.4281     2.0162    -0.4647	C.2	1	noname	-0.0148
5	C3    -0.7267     1.0402     0.2202	C.2	1	noname	-0.0466
6	C4    -1.1487    -0.2656     0.4472	C.2	1	noname	0.0016
7	C5     1.3811     3.2681     0.1882	C.2	1	noname	-0.0460
8	C6     2.4200     1.8162    -1.4516	C.2	1	noname	-0.0460
9	C7    -1.6437     2.1022     0.3602	C.2	1	noname	-0.0311
10	C8    -2.4587    -0.5765     0.8413	C.2	1	noname	-0.0298
11	C9     2.2770     4.2961    -0.1526	C.2	1	noname	-0.0592
12	C10     3.3180     2.8412    -1.7955	C.2	1	noname	-0.0592
13	C11    -2.9657     1.8163     0.7572	C.2	1	noname	-0.0485
14	C12    -3.3697     0.4863     1.0003	C.2	1	noname	-0.0520
15	C13     3.2439     4.0842    -1.1475	C.2	1	noname	-0.0812
16	H1    -0.0207    -2.0875     0.2502	H	1	noname	0.0863
17	H2     0.7060     3.4342     0.9342	H	1	noname	0.0643
18	H3     2.4850     0.9173    -1.9315	H	1	noname	0.0643
19	H4    -1.3688     3.0642     0.1693	H	1	noname	0.0643
20	H5    -2.7467    -1.5424     1.0033	H	1	noname	0.0630
21	H6     2.2279     5.1952     0.3273	H	1	noname	0.0623
22	H7     4.0239     2.6813    -2.5145	H	1	noname	0.0623
23	H8    -3.6367     2.5763     0.8663	H	1	noname	0.0623
24	H9    -4.3297     0.2924     1.2853	H	1	noname	0.0622
25	H10     3.8958     4.8292    -1.3945	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	2	4	1
4	2	5	1
5	3	6	1
6	3	16	1
7	4	7	2
8	4	8	1
9	5	9	1
10	5	6	2
11	6	10	1
12	7	11	1
13	7	17	1
14	8	12	2
15	8	18	1
16	9	13	2
17	9	19	1
18	10	14	2
19	10	20	1
20	11	15	2
21	11	21	1
22	12	15	1
23	12	22	1
24	13	14	1
25	13	23	1
26	14	24	1
27	15	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1