@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3322
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     3.1225     1.2135     0.0866	N.2	1	noname	-0.2178
2	C1     2.1135     1.9855     0.5666	C.2	1	noname	0.0582
3	C2     2.9295    -0.0444    -0.3712	C.2	1	noname	0.0593
4	N2     2.3494     3.2455     1.0277	N.3	1	noname	0.0027
5	C3     0.8075     1.4515     0.5987	C.2	1	noname	0.0027
6	N3     1.6845    -0.5703    -0.3522	N.2	1	noname	-0.2359
7	C4     3.5483     3.8815     1.0857	C.2	1	noname	-0.0618
8	C5     0.6264     0.1326     0.1157	C.2	1	noname	0.0249
9	C6    -0.3224     2.1415     1.0817	C.2	1	noname	0.0256
10	C7     4.4942     3.8496     0.0388	C.2	1	noname	-0.0590
11	C8     3.8272     4.6455     2.2357	C.2	1	noname	-0.0590
12	C9    -0.6464    -0.4592     0.1187	C.2	1	noname	0.0085
13	N4    -1.5374     1.5386     1.0717	N.2	1	noname	-0.2577
14	C10     5.7111     4.5426     0.1568	C.2	1	noname	-0.0675
15	C11     5.0422     5.3415     2.3537	C.2	1	noname	-0.0675
16	C12    -1.7334     0.2797     0.6128	C.2	1	noname	0.0377
17	C13     5.9920     5.2896     1.3158	C.2	1	noname	-0.0549
18	N5    -2.9654    -0.2431     0.6358	N.3	1	noname	-0.1172
19	N6     7.1680     5.9566     1.4269	N.3	1	noname	-0.1441
20	C14     7.1869     7.3746     1.2829	C.3	1	noname	-0.0087
21	C15     8.3669     5.2277     1.6819	C.3	1	noname	-0.0087
22	H1     3.7154    -0.5893    -0.7262	H	1	noname	0.1062
23	H2     1.5924     3.7225     1.4007	H	1	noname	0.1357
24	H3    -0.2414     3.0935     1.4407	H	1	noname	0.0848
25	H4     4.3012     3.3236    -0.8130	H	1	noname	0.0639
26	H5     3.1472     4.6925     2.9957	H	1	noname	0.0639
27	H6    -0.7785    -1.4092    -0.2301	H	1	noname	0.0679
28	H7     6.3890     4.5076    -0.6050	H	1	noname	0.0639
29	H8     5.2351     5.8855     3.1958	H	1	noname	0.0639
30	H9    -3.1205    -1.1440     0.3108	H	1	noname	0.1257
31	H10    -3.7035     0.2828     0.9798	H	1	noname	0.1257
32	H11     8.1988     7.7656     1.3900	H	1	noname	0.0398
33	H12     6.8119     7.6497     0.2960	H	1	noname	0.0398
34	H13     6.5559     7.8366     2.0449	H	1	noname	0.0398
35	H14     9.2258     5.8957     1.7430	H	1	noname	0.0398
36	H15     8.2788     4.6907     2.6279	H	1	noname	0.0398
37	H16     8.5458     4.5098     0.8810	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	2
25	14	28	1
26	15	17	1
27	15	29	1
28	16	18	1
29	17	19	1
30	18	30	1
31	18	31	1
32	19	20	1
33	19	21	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