@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3316
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     7.2036     5.8121     1.3858	O.3	1	noname	-0.2812
2	C1     6.0446     5.1152     1.1958	C.2	1	noname	-0.0229
3	C2     8.3206     5.7022     0.4998	C.3	1	noname	0.0423
4	C3     5.0065     5.3332     2.1189	C.2	1	noname	-0.0311
5	C4     5.8365     4.2092     0.1348	C.2	1	noname	-0.0311
6	C5     3.7814     4.6572     1.9909	C.2	1	noname	-0.0464
7	C6     4.6114     3.5332     0.0059	C.2	1	noname	-0.0464
8	C7     3.5764     3.7423     0.9410	C.2	1	noname	-0.0415
9	N1     2.3593     3.1453     0.8510	N.3	1	noname	0.0053
10	C8     2.1123     1.8343     0.5730	C.2	1	noname	0.0582
11	N2     3.1283     0.9583     0.3571	N.2	1	noname	-0.2178
12	C9     0.7852     1.3593     0.5230	C.2	1	noname	0.0027
13	C10     2.9222    -0.3506     0.0901	C.2	1	noname	0.0594
14	C11     0.5902    -0.0156     0.2441	C.2	1	noname	0.0249
15	C12    -0.3548     2.1614     0.7321	C.2	1	noname	0.0256
16	N3     1.6562    -0.8236     0.0371	N.2	1	noname	-0.2358
17	C13    -0.7058    -0.5536     0.1811	C.2	1	noname	0.0085
18	N4    -1.5909     1.6094     0.6651	N.2	1	noname	-0.2577
19	C14    -1.8009     0.2964     0.4002	C.2	1	noname	0.0377
20	N5    -3.0539    -0.1725     0.3532	N.3	1	noname	-0.1172
21	H1     9.1186     6.3533     0.8559	H	1	noname	0.0535
22	H2     8.6876     4.6742     0.4788	H	1	noname	0.0535
23	H3     8.0366     6.0113    -0.5071	H	1	noname	0.0535
24	H4     5.1435     5.9893     2.8890	H	1	noname	0.0650
25	H5     6.5735     4.0412    -0.5501	H	1	noname	0.0650
26	H6     3.0384     4.8333     2.6680	H	1	noname	0.0640
27	H7     4.4734     2.8923    -0.7770	H	1	noname	0.0640
28	H8     1.5923     3.7013     1.0520	H	1	noname	0.1357
29	H9     3.7122    -0.9756    -0.0678	H	1	noname	0.1062
30	H10    -0.2638     3.1574     0.9361	H	1	noname	0.0848
31	H11    -0.8478    -1.5446    -0.0187	H	1	noname	0.0679
32	H12    -3.2180    -1.1085     0.1642	H	1	noname	0.1257
33	H13    -3.7980     0.4295     0.5093	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	2
13	6	26	1
14	7	8	1
15	7	27	1
16	8	9	1
17	9	10	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