@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3346
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     2.1848     0.6763	C.2	1	noname	0.0552
3	C2     3.1318     0.0400     0.6383	C.2	1	noname	0.0578
4	N2     2.2648     3.5278     0.7363	N.3	1	noname	-0.0981
5	C3     0.8378     1.5949     0.5943	C.2	1	noname	-0.0044
6	N3     1.9157    -0.5469     0.5593	N.2	1	noname	-0.2432
7	C4     3.5337     4.1638     0.8154	C.3	1	noname	0.0265
8	C5     0.7758     0.1830     0.5354	C.2	1	noname	0.0234
9	C6    -0.3711     2.3179     0.5674	C.2	1	noname	0.0246
10	C7     3.3656     5.6258     0.8995	C.2	1	noname	-0.0812
11	C8    -0.4641    -0.4708     0.4514	C.2	1	noname	0.0083
12	N4    -1.5511     1.6540     0.4844	N.2	1	noname	-0.2578
13	C9     3.8585     6.4688    -0.1173	C.2	1	noname	-0.0571
14	C10     2.7116     6.1988     2.0095	C.2	1	noname	-0.0571
15	C11    -1.6351     0.3021     0.4265	C.2	1	noname	0.0377
16	C12     3.6975     7.8618    -0.0273	C.2	1	noname	-0.0686
17	C13     2.5496     7.5918     2.1005	C.2	1	noname	-0.0686
18	N5    -2.8391    -0.2777     0.3455	N.3	1	noname	-0.1172
19	C14     3.0425     8.4259     1.0816	C.2	1	noname	-0.0364
20	N6     2.8895     9.7568     1.1666	N.3	1	noname	-0.1559
21	H1     3.9787    -0.5279     0.6553	H	1	noname	0.1062
22	H2     1.4718     4.0858     0.7264	H	1	noname	0.1300
23	H3     4.1206     3.8949    -0.0654	H	1	noname	0.0482
24	H4     4.0656     3.8159     1.7034	H	1	noname	0.0482
25	H5    -0.3731     3.3379     0.6074	H	1	noname	0.0848
26	H6    -0.5111    -1.4897     0.4075	H	1	noname	0.0679
27	H7     4.3355     6.0689    -0.9263	H	1	noname	0.0626
28	H8     2.3526     5.5999     2.7545	H	1	noname	0.0626
29	H9     4.0585     8.4618    -0.7702	H	1	noname	0.0639
30	H10     2.0735     7.9938     2.9085	H	1	noname	0.0639
31	H11    -2.9142    -1.2426     0.3046	H	1	noname	0.1257
32	H12    -3.6371     0.2732     0.3286	H	1	noname	0.1257
33	H13     2.4394    10.1469     1.9326	H	1	noname	0.1242
34	H14     3.2314    10.3309     0.4637	H	1	noname	0.1242
@<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	2
29	16	29	1
30	17	19	1
31	17	30	1
32	18	31	1
33	18	32	1
34	19	20	1
35	20	33	1
36	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1