@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3857
24 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -3.2052     0.6058     0.5192	N.2	1	noname	-0.2714
2	C1    -2.2703    -0.3490     0.7733	C.2	1	noname	0.0368
3	C2    -2.9313     1.9398     0.5383	C.2	1	noname	-0.0018
4	C3    -0.9654     0.0659     1.0713	C.2	1	noname	0.0318
5	C4    -1.6314     2.3898     0.8353	C.2	1	noname	-0.0062
6	N2     0.1274    -0.6579     1.3343	N.2	1	noname	-0.2238
7	C5    -0.6505     1.4209     1.1153	C.2	1	noname	0.0570
8	C6     1.1063     0.2440     1.5383	C.2	1	noname	-0.0423
9	N3     0.6613     1.5180     1.4213	N.3	1	noname	-0.0092
10	C7     1.4252     2.6449     1.5954	C.2	1	noname	-0.0236
11	C8     0.9272     3.7659     2.2974	C.2	1	noname	-0.0547
12	C9     2.7461     2.7030     1.0955	C.2	1	noname	-0.0547
13	C10     1.7161     4.9139     2.4815	C.2	1	noname	-0.0619
14	C11     3.5391     3.8500     1.2775	C.2	1	noname	-0.0619
15	C12     3.0220     4.9569     1.9695	C.2	1	noname	-0.0850
16	H1    -2.5124    -1.3399     0.7443	H	1	noname	0.0863
17	H2    -3.6703     2.6138     0.3323	H	1	noname	0.0839
18	H3    -1.4154     3.3858     0.8383	H	1	noname	0.0659
19	H4     2.0662    -0.0159     1.7694	H	1	noname	0.1019
20	H5    -0.0127     3.7449     2.6944	H	1	noname	0.0642
21	H6     3.1351     1.9100     0.5845	H	1	noname	0.0642
22	H7     1.3411     5.7149     2.9905	H	1	noname	0.0623
23	H8     4.4880     3.8780     0.9055	H	1	noname	0.0623
24	H9     3.5960     5.7900     2.1026	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	16	1
5	3	5	2
6	3	17	1
7	4	6	1
8	4	7	2
9	5	7	1
10	5	18	1
11	6	8	2
12	7	9	1
13	8	9	1
14	8	19	1
15	9	10	1
16	10	11	2
17	10	12	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