@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3315
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     6.5947     4.4220     2.6862	O.3	1	noname	-0.2768
2	C1     5.6467     4.5870     1.7172	C.2	1	noname	-0.0022
3	C2     6.4776     3.4350     3.7153	C.3	1	noname	0.0423
4	C3     4.4536     3.8351     1.6503	C.2	1	noname	-0.0287
5	C4     5.8896     5.5721     0.7433	C.2	1	noname	-0.0526
6	C5     3.5175     4.0531     0.6173	C.2	1	noname	-0.0221
7	C6     4.9565     5.8072    -0.2806	C.2	1	noname	-0.0534
8	N1     2.3454     3.3722     0.5304	N.3	1	noname	0.0090
9	C7     3.7735     5.0542    -0.3386	C.2	1	noname	-0.0688
10	C8     2.1784     2.0262     0.6634	C.2	1	noname	0.0583
11	N2     3.2394     1.2092     0.8915	N.2	1	noname	-0.2176
12	C9     0.8933     1.4542     0.5494	C.2	1	noname	0.0029
13	C10     3.1183    -0.1316     1.0185	C.2	1	noname	0.0594
14	C11     0.7883     0.0482     0.6855	C.2	1	noname	0.0249
15	C12    -0.2856     2.1882     0.3125	C.2	1	noname	0.0256
16	N3     1.8943    -0.6966     0.9146	N.2	1	noname	-0.2357
17	C13    -0.4607    -0.5856     0.5825	C.2	1	noname	0.0085
18	N4    -1.4747     1.5433     0.2185	N.2	1	noname	-0.2577
19	C14    -1.5987     0.1993     0.3446	C.2	1	noname	0.0377
20	N5    -2.8098    -0.3615     0.2386	N.3	1	noname	-0.1172
21	H1     7.3526     3.4941     4.3613	H	1	noname	0.0535
22	H2     5.5846     3.6181     4.3153	H	1	noname	0.0535
23	H3     6.4276     2.4370     3.2773	H	1	noname	0.0535
24	H4     4.2615     3.1291     2.3604	H	1	noname	0.0666
25	H5     6.7476     6.1222     0.7813	H	1	noname	0.0650
26	H6     5.1395     6.5272    -0.9806	H	1	noname	0.0624
27	H7     1.5594     3.8932     0.3094	H	1	noname	0.1357
28	H8     3.0994     5.2332    -1.0835	H	1	noname	0.0639
29	H9     3.9413    -0.7096     1.1906	H	1	noname	0.1062
30	H10    -0.2597     3.2023     0.2096	H	1	noname	0.0848
31	H11    -0.5377    -1.5986     0.6796	H	1	noname	0.0679
32	H12    -2.9118    -1.3215     0.3246	H	1	noname	0.1257
33	H13    -3.5858     0.1964     0.0737	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	21	1
6	3	22	1
7	3	23	1
8	4	6	1
9	4	24	1
10	5	7	2
11	5	25	1
12	6	8	1
13	6	9	2
14	7	9	1
15	7	26	1
16	8	10	1
17	8	27	1
18	9	28	1
19	10	11	2
20	10	12	1
21	11	13	1
22	12	14	1
23	12	15	2
24	13	16	2
25	13	29	1
26	14	17	2
27	14	16	1
28	15	18	1
29	15	30	1
30	17	19	1
31	17	31	1
32	18	19	2
33	19	20	1
34	20	32	1
35	20	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1