@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4271
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     5.8131    -2.5713    -0.8289	N.1	1	noname	-0.1751
2	C1     6.1091    -2.7532     0.2661	C.1	1	noname	0.0933
3	C2     6.4391    -2.9592     1.4781	C.2	1	noname	0.0763
4	C3     6.3110    -1.9672     2.2622	C.1	1	noname	0.0933
5	C4     6.8831    -4.1392     1.9542	C.2	1	noname	0.0274
6	N2     6.1980    -1.0741     2.9752	N.1	1	noname	-0.1751
7	C5     7.0700    -5.2981     1.2212	C.2	1	noname	-0.0085
8	C6     6.4520    -6.4961     1.6302	C.2	1	noname	0.0106
9	C7     7.9010    -5.3391     0.0822	C.2	1	noname	-0.0275
10	N3     6.6480    -7.6391     0.9263	N.2	1	noname	-0.2508
11	C8     8.0829    -6.5371    -0.6266	C.2	1	noname	-0.0232
12	C9     7.4319    -7.6961    -0.1776	C.2	1	noname	-0.0008
13	H1     7.0850    -4.2121     2.9272	H	1	noname	0.0650
14	H2     5.8510    -6.5131     2.4563	H	1	noname	0.0845
15	H3     8.3809    -4.4960    -0.2346	H	1	noname	0.0630
16	H4     8.6809    -6.5660    -1.4526	H	1	noname	0.0638
17	H5     7.5509    -8.5780    -0.6766	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	2	3
2	2	3	1
3	3	4	1
4	3	5	2
5	4	6	3
6	5	7	1
7	5	13	1
8	7	8	2
9	7	9	1
10	8	10	1
11	8	14	1
12	9	11	2
13	9	15	1
14	10	12	2
15	11	12	1
16	11	16	1
17	12	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1