@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3807
24 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.0390     3.2927    -0.5194	N.2	1	noname	-0.2545
2	C1     1.5059     2.0177    -0.4203	C.2	1	noname	0.0347
3	C2     1.7910     4.3668    -0.8633	C.2	1	noname	-0.0055
4	N2     0.6518     0.9967    -0.0613	N.3	1	noname	-0.0098
5	C3     2.8780     1.8127    -0.6983	C.2	1	noname	-0.0230
6	C4     3.1520     4.1889    -1.1443	C.2	1	noname	-0.0548
7	C5    -0.6692     1.0648     0.2277	C.2	1	noname	-0.0439
8	C6     0.9758    -0.3132     0.0757	C.2	1	noname	-0.0280
9	C7     3.6919     2.8989    -1.0583	C.2	1	noname	-0.0430
10	C8    -1.1022    -0.2252     0.5327	C.2	1	noname	0.0122
11	C9    -1.5873     2.1358     0.2638	C.2	1	noname	-0.0295
12	N3    -0.0732    -1.0712     0.4358	N.2	1	noname	-0.2277
13	C10    -2.4334    -0.5002     0.8788	C.2	1	noname	-0.0103
14	C11    -2.9284     1.8779     0.6098	C.2	1	noname	-0.0467
15	C12    -3.3505     0.5678     0.9159	C.2	1	noname	-0.0439
16	H1     1.3679     5.2939    -0.9173	H	1	noname	0.0839
17	H2     3.2929     0.8847    -0.6423	H	1	noname	0.0659
18	H3     3.7370     4.9830    -1.4053	H	1	noname	0.0638
19	H4     1.9078    -0.7022    -0.0732	H	1	noname	0.1019
20	H5     4.6820     2.7479    -1.2583	H	1	noname	0.0624
21	H6    -1.2993     3.0879     0.0458	H	1	noname	0.0643
22	H7    -2.7304    -1.4512     1.0988	H	1	noname	0.0645
23	H8    -3.6005     2.6459     0.6389	H	1	noname	0.0623
24	H9    -4.3246     0.3919     1.1649	H	1	noname	0.0623
@<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	2
10	5	17	1
11	6	9	1
12	6	18	1
13	7	10	2
14	7	11	1
15	8	12	2
16	8	19	1
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