@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3255
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -1.0542    -1.0542    -2.9891	N.2	1	noname	-0.2425
2	C1    -2.1433    -0.7592    -2.2351	C.2	1	noname	0.0424
3	C2    -1.1003    -1.9392    -4.0111	C.2	1	noname	0.0480
4	N2    -2.0264     0.1388    -1.2290	N.3	1	noname	-0.1035
5	C3    -3.3734    -1.3892    -2.5130	C.2	1	noname	-0.0155
6	N3    -2.2674    -2.5572    -4.3001	N.2	1	noname	-0.2519
7	C4    -0.8114     0.8038    -0.9220	C.3	1	noname	0.0055
8	C5    -3.3945    -2.3112    -3.5900	C.2	1	noname	0.0509
9	C6    -4.5605    -1.1481    -1.7859	C.2	1	noname	-0.0220
10	C7    -1.0444     1.7669     0.2570	C.3	1	noname	0.0132
11	C8    -4.5866    -2.9762    -3.9280	C.2	1	noname	-0.0088
12	C9    -5.7486    -1.8161    -2.1299	C.2	1	noname	-0.0525
13	C10     0.1715     2.5330     0.5931	C.2	1	noname	-0.0570
14	C11    -5.7617    -2.7281    -3.1989	C.2	1	noname	-0.0370
15	C12     0.2104     3.9321     0.4181	C.2	1	noname	-0.0637
16	C13     1.3085     1.8740     1.1052	C.2	1	noname	-0.0637
17	C14     1.3684     4.6591     0.7441	C.2	1	noname	-0.0630
18	C15     2.4665     2.6000     1.4322	C.2	1	noname	-0.0630
19	C16     2.4974     3.9922     1.2512	C.2	1	noname	-0.0684
20	H1    -0.2623    -2.1382    -4.5581	H	1	noname	0.1062
21	H2    -2.8105     0.3418    -0.6969	H	1	noname	0.1296
22	H3    -0.0514     0.0659    -0.6549	H	1	noname	0.0435
23	H4    -0.4754     1.3709    -1.7929	H	1	noname	0.0435
24	H5    -4.5685    -0.4891    -1.0079	H	1	noname	0.0630
25	H6    -1.3585     1.1939     1.1311	H	1	noname	0.0329
26	H7    -1.8565     2.4450    -0.0138	H	1	noname	0.0329
27	H8    -4.6016    -3.6381    -4.7040	H	1	noname	0.0645
28	H9    -6.6037    -1.6381    -1.6018	H	1	noname	0.0622
29	H10    -6.6267    -3.2101    -3.4459	H	1	noname	0.0623
30	H11    -0.6035     4.4251     0.0511	H	1	noname	0.0625
31	H12     1.2935     0.8630     1.2422	H	1	noname	0.0625
32	H13     1.3904     5.6712     0.6132	H	1	noname	0.0622
33	H14     3.2855     2.1150     1.8013	H	1	noname	0.0622
34	H15     3.3374     4.5203     1.4883	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	20	1
7	4	7	1
8	4	21	1
9	5	8	1
10	5	9	2
11	6	8	1
12	7	10	1
13	7	22	1
14	7	23	1
15	8	11	2
16	9	12	1
17	9	24	1
18	10	13	1
19	10	25	1
20	10	26	1
21	11	14	1
22	11	27	1
23	12	14	2
24	12	28	1
25	13	15	2
26	13	16	1
27	14	29	1
28	15	17	1
29	15	30	1
30	16	18	2
31	16	31	1
32	17	19	2
33	17	32	1
34	18	19	1
35	18	33	1
36	19	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1