@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3727
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.1295     1.2164     2.4339	N.2	1	noname	-0.2180
2	C1     0.2295     2.0964     1.9210	C.2	1	noname	0.0599
3	C2     0.9535    -0.1224     2.3800	C.2	1	noname	0.0598
4	N2     0.4564     3.4344     1.9980	N.3	1	noname	0.0068
5	C3    -0.9404     1.6024     1.3040	C.2	1	noname	0.0182
6	N3    -0.1584    -0.6203     1.7931	N.2	1	noname	-0.2371
7	C4     1.5463     3.9914     2.5710	C.2	1	noname	-0.0335
8	C5    -1.0984     0.1956     1.2611	C.2	1	noname	0.0101
9	C6    -1.9374     2.4294     0.7441	C.2	1	noname	-0.0015
10	C7     1.5673     4.2494     3.9550	C.2	1	noname	-0.0634
11	C8     2.6553     4.3434     1.7791	C.2	1	noname	-0.0668
12	C9    -2.2464    -0.3413     0.6581	C.2	1	noname	0.0389
13	C10    -3.0684     1.8415     0.1532	C.2	1	noname	0.0344
14	C11     2.6922     4.8505     4.5540	C.2	1	noname	-0.0605
15	C12     3.7812     4.9415     2.3701	C.2	1	noname	-0.0650
16	N4    -3.1814     0.4886     0.1312	N.2	1	noname	-0.2513
17	N5    -4.0254     2.6295    -0.3816	N.3	1	noname	-0.1102
18	C13     3.7991     5.1945     3.7521	C.2	1	noname	-0.0880
19	C14     2.6932     5.1125     6.0010	C.3	1	noname	-0.0017
20	C15    -5.1944     2.1116    -0.9936	C.3	1	noname	-0.0101
21	H1     1.6524    -0.7503     2.7770	H	1	noname	0.1062
22	H2    -0.2015     4.0324     1.6121	H	1	noname	0.1357
23	H3    -1.8464     3.4454     0.7631	H	1	noname	0.0664
24	H4     0.7603     3.9995     4.5280	H	1	noname	0.0642
25	H5     2.6452     4.1635     0.7742	H	1	noname	0.0639
26	H6    -2.3814    -1.3522     0.6142	H	1	noname	0.0863
27	H7     4.5851     5.1945     1.7942	H	1	noname	0.0623
28	H8    -3.9094     3.5915    -0.3446	H	1	noname	0.1292
29	H9     4.6200     5.6315     4.1731	H	1	noname	0.0625
30	H10     3.6261     5.5835     6.3160	H	1	noname	0.0279
31	H11     1.8642     5.7755     6.2530	H	1	noname	0.0279
32	H12     2.5762     4.1726     6.5420	H	1	noname	0.0279
33	H13    -5.8104     2.9406    -1.3436	H	1	noname	0.0396
34	H14    -4.9255     1.4847    -1.8445	H	1	noname	0.0396
35	H15    -5.7654     1.5227    -0.2746	H	1	noname	0.0396
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	21	1
7	4	7	1
8	4	22	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	23	1
17	10	14	1
18	10	24	1
19	11	15	2
20	11	25	1
21	12	16	1
22	12	26	1
23	13	17	1
24	13	16	2
25	14	18	2
26	14	19	1
27	15	18	1
28	15	27	1
29	17	20	1
30	17	28	1
31	18	29	1
32	19	30	1
33	19	31	1
34	19	32	1
35	20	33	1
36	20	34	1
37	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1