@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3321
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     3.1229     1.3871     0.0000	N.2	1	noname	-0.2177
2	C1     2.0678     2.1031     0.4700	C.2	1	noname	0.0583
3	C2     3.0168     0.0981    -0.3949	C.2	1	noname	0.0594
4	N2     2.2197     3.3972     0.8701	N.3	1	noname	0.0078
5	C3     0.8077     1.4751     0.5571	C.2	1	noname	0.0028
6	N3     1.8158    -0.5188    -0.3199	N.2	1	noname	-0.2357
7	C4     3.3687     4.1202     0.8511	C.2	1	noname	-0.0348
8	C5     0.7177     0.1252     0.1411	C.2	1	noname	0.0249
9	C6    -0.3622     2.1032     1.0281	C.2	1	noname	0.0256
10	C7     4.2467     4.1393    -0.2537	C.2	1	noname	-0.0658
11	C8     3.6617     4.9223     1.9702	C.2	1	noname	-0.0885
12	C9    -0.5072    -0.5597     0.2022	C.2	1	noname	0.0085
13	N4    -1.5283     1.4122     1.0742	N.2	1	noname	-0.2577
14	C10     5.4176     4.9213    -0.2327	C.2	1	noname	-0.0359
15	C11     4.8267     5.7073     1.9992	C.2	1	noname	-0.0660
16	C12    -1.6373     0.1203     0.6822	C.2	1	noname	0.0377
17	N5     6.2606     4.9214    -1.2977	N.3	1	noname	-0.1391
18	C13     5.7036     5.7034     0.9023	C.2	1	noname	-0.0894
19	N6    -2.8253    -0.4916     0.7582	N.3	1	noname	-0.1172
20	C14     6.9605     3.7274    -1.6446	C.3	1	noname	-0.0087
21	C15     6.4375     6.1155    -2.0596	C.3	1	noname	-0.0087
22	H1     3.8338    -0.4027    -0.7439	H	1	noname	0.1062
23	H2     1.4417     3.8332     1.2491	H	1	noname	0.1357
24	H3    -0.3473     3.0763     1.3371	H	1	noname	0.0848
25	H4     4.0296     3.5843    -1.0827	H	1	noname	0.0656
26	H5     3.0296     4.9333     2.7722	H	1	noname	0.0639
27	H6    -0.5733    -1.5337    -0.0967	H	1	noname	0.0679
28	H7     5.0366     6.2794     2.8183	H	1	noname	0.0623
29	H8     6.5506     6.2725     0.9313	H	1	noname	0.0639
30	H9    -2.9174    -1.4165     0.4803	H	1	noname	0.1257
31	H10    -3.5954    -0.0065     1.0923	H	1	noname	0.1257
32	H11     7.6185     3.8915    -2.4976	H	1	noname	0.0398
33	H12     7.5675     3.3974    -0.7996	H	1	noname	0.0398
34	H13     6.2515     2.9385    -1.9026	H	1	noname	0.0398
35	H14     7.1175     5.9495    -2.8966	H	1	noname	0.0398
36	H15     5.4765     6.4445    -2.4566	H	1	noname	0.0398
37	H16     6.8525     6.9045    -1.4306	H	1	noname	0.0398
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	22	1
7	4	7	1
8	4	23	1
9	5	8	1
10	5	9	2
11	6	8	1
12	7	10	2
13	7	11	1
14	8	12	2
15	9	13	1
16	9	24	1
17	10	14	1
18	10	25	1
19	11	15	2
20	11	26	1
21	12	16	1
22	12	27	1
23	13	16	2
24	14	17	1
25	14	18	2
26	15	18	1
27	15	28	1
28	16	19	1
29	17	20	1
30	17	21	1
31	18	29	1
32	19	30	1
33	19	31	1
34	20	32	1
35	20	33	1
36	20	34	1
37	21	35	1
38	21	36	1
39	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1