@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3345
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     3.2138     1.3888     0.6942	N.2	1	noname	-0.2264
2	C1     2.1148     2.1828     0.6763	C.2	1	noname	0.0552
3	C2     3.1328     0.0399     0.6353	C.2	1	noname	0.0578
4	N2     2.2617     3.5269     0.7383	N.3	1	noname	-0.0981
5	C3     0.8377     1.5929     0.5923	C.2	1	noname	-0.0044
6	N3     1.9177    -0.5490     0.5533	N.2	1	noname	-0.2432
7	C4     3.5287     4.1659     0.8114	C.3	1	noname	0.0266
8	C5     0.7767     0.1810     0.5294	C.2	1	noname	0.0234
9	C6    -0.3702     2.3159     0.5654	C.2	1	noname	0.0246
10	C7     3.3547     5.6280     0.8905	C.2	1	noname	-0.0525
11	C8    -0.4632    -0.4729     0.4424	C.2	1	noname	0.0083
12	N4    -1.5503     1.6520     0.4794	N.2	1	noname	-0.2578
13	C9     2.7226     6.2050     2.0115	C.2	1	noname	-0.0628
14	C10     3.8186     6.4670    -0.1434	C.2	1	noname	-0.0851
15	C11    -1.6333     0.3001     0.4175	C.2	1	noname	0.0377
16	C12     2.5546     7.5990     2.0985	C.2	1	noname	-0.0347
17	C13     3.6506     7.8590    -0.0603	C.2	1	noname	-0.0633
18	N5    -2.8373    -0.2788     0.3335	N.3	1	noname	-0.1172
19	N6     1.9546     8.1391     3.1706	N.3	1	noname	-0.1556
20	C14     3.0185     8.4251     1.0596	C.2	1	noname	-0.0707
21	H1     3.9807    -0.5279     0.6513	H	1	noname	0.1062
22	H2     1.4667     4.0829     0.7284	H	1	noname	0.1300
23	H3     4.1127     3.8970    -0.0715	H	1	noname	0.0482
24	H4     4.0656     3.8230     1.6984	H	1	noname	0.0482
25	H5    -0.3723     3.3350     0.6084	H	1	noname	0.0848
26	H6    -0.5113    -1.4918     0.3974	H	1	noname	0.0679
27	H7     2.3865     5.6051     2.7665	H	1	noname	0.0642
28	H8     4.2786     6.0641    -0.9613	H	1	noname	0.0626
29	H9     3.9875     8.4601    -0.8133	H	1	noname	0.0623
30	H10    -2.9124    -1.2437     0.2865	H	1	noname	0.1257
31	H11    -3.6354     0.2721     0.3195	H	1	noname	0.1257
32	H12     1.6365     7.5681     3.8886	H	1	noname	0.1242
33	H13     1.8405     9.1001     3.2306	H	1	noname	0.1242
34	H14     2.8995     9.4381     1.1166	H	1	noname	0.0639
@<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	1
13	7	23	1
14	7	24	1
15	8	11	2
16	9	12	1
17	9	25	1
18	10	13	2
19	10	14	1
20	11	15	1
21	11	26	1
22	12	15	2
23	13	16	1
24	13	27	1
25	14	17	2
26	14	28	1
27	15	18	1
28	16	19	1
29	16	20	2
30	17	20	1
31	17	29	1
32	18	30	1
33	18	31	1
34	19	32	1
35	19	33	1
36	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1