@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440379
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     3.0251     1.2092     3.4578	N.2	1	noname	-0.2289
2	C1     3.2521     2.2932     4.2338	C.2	1	noname	0.0849
3	C2     1.8871     1.0353     2.7308	C.2	1	noname	0.0278
4	N2     2.3171     3.2653     4.3039	N.2	1	noname	-0.2420
5	N3     4.3900     2.4003     4.9258	N.3	1	noname	-0.0799
6	C3     1.7461    -0.1466     1.9429	C.2	1	noname	0.0043
7	C4     0.9081     2.0523     2.8039	C.2	1	noname	-0.0222
8	C5     1.1581     3.1703     3.6109	C.2	1	noname	0.0112
9	C6     2.8140    -1.0675     1.8399	C.2	1	noname	0.0220
10	C7     0.5641    -0.4735     1.2359	C.2	1	noname	-0.0160
11	N4     2.6950    -2.1955     1.0960	N.2	1	noname	-0.2467
12	C8     0.4660    -1.6485     0.4740	C.2	1	noname	-0.0188
13	C9     1.5670    -2.5114     0.4170	C.2	1	noname	0.0039
14	H1     4.5460     3.1793     5.4799	H	1	noname	0.1273
15	H2     5.0550     1.6973     4.8719	H	1	noname	0.1273
16	H3     0.0310     1.9973     2.2859	H	1	noname	0.0661
17	H4     0.4660     3.9163     3.6770	H	1	noname	0.0841
18	H5     3.6970    -0.8985     2.3230	H	1	noname	0.0846
19	H6    -0.2499     0.1394     1.2670	H	1	noname	0.0630
20	H7    -0.3929    -1.8704    -0.0289	H	1	noname	0.0638
21	H8     1.5209    -3.3714    -0.1298	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	2
7	4	8	2
8	5	14	1
9	5	15	1
10	6	9	2
11	6	10	1
12	7	8	1
13	7	16	1
14	8	17	1
15	9	11	1
16	9	18	1
17	10	12	2
18	10	19	1
19	11	13	2
20	12	13	1
21	12	20	1
22	13	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1