@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3332
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.0073     5.5039    -1.9755	O.2	1	noname	-0.1443
2	N1     2.2752     5.7570    -1.0574	N.2	1	noname	-0.0133
3	O2     1.1221     5.4190    -1.1083	O.3	1	noname	-0.1443
4	C1     2.7512     6.3671     0.0476	C.2	1	noname	0.0426
5	C2     3.3891     5.6241     1.0687	C.2	1	noname	0.0375
6	C3     2.5931     7.7602     0.1827	C.2	1	noname	0.0278
7	C4     3.8661     6.2982     2.2128	C.2	1	noname	-0.0251
8	C5     3.5631     4.1621     0.9478	C.3	1	noname	0.0288
9	C6     3.0721     8.4193     1.3268	C.2	1	noname	-0.0333
10	C7     3.7091     7.6883     2.3419	C.2	1	noname	-0.0253
11	N2     2.3000     3.5201     0.8338	N.3	1	noname	-0.0980
12	C8     2.1610     2.1821     0.6888	C.2	1	noname	0.0553
13	N3     3.2640     1.3921     0.6899	N.2	1	noname	-0.2264
14	C9     0.8899     1.5951     0.5319	C.2	1	noname	-0.0044
15	C10     3.1909     0.0490     0.5479	C.2	1	noname	0.0578
16	C11     0.8378     0.1881     0.3829	C.2	1	noname	0.0234
17	C12    -0.3211     2.3142     0.5079	C.2	1	noname	0.0246
18	N4     1.9808    -0.5369     0.3959	N.2	1	noname	-0.2432
19	C13    -0.3952    -0.4628     0.2189	C.2	1	noname	0.0083
20	N5    -1.4932     1.6522     0.3459	N.2	1	noname	-0.2578
21	C14    -1.5683     0.3061     0.2030	C.2	1	noname	0.0377
22	N6    -2.7664    -0.2717     0.0450	N.3	1	noname	-0.1172
23	H1     2.1291     8.2963    -0.5522	H	1	noname	0.0647
24	H2     4.3301     5.7762     2.9569	H	1	noname	0.0626
25	H3     4.1611     3.9501     0.0587	H	1	noname	0.0483
26	H4     4.0881     3.7621     1.8188	H	1	noname	0.0483
27	H5     2.9571     9.4294     1.4198	H	1	noname	0.0623
28	H6     4.0590     8.1663     3.1730	H	1	noname	0.0622
29	H7     1.5009     4.0702     0.8368	H	1	noname	0.1300
30	H8     4.0399    -0.5168     0.5539	H	1	noname	0.1062
31	H9    -0.3291     3.3303     0.6070	H	1	noname	0.0848
32	H10    -0.4352    -1.4778     0.1110	H	1	noname	0.0679
33	H11    -2.8344    -1.2327    -0.0589	H	1	noname	0.1257
34	H12    -3.5665     0.2763     0.0351	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	2
9	6	23	1
10	7	10	2
11	7	24	1
12	8	11	1
13	8	25	1
14	8	26	1
15	9	10	1
16	9	27	1
17	10	28	1
18	11	12	1
19	11	29	1
20	12	13	2
21	12	14	1
22	13	15	1
23	14	16	1
24	14	17	2
25	15	18	2
26	15	30	1
27	16	19	2
28	16	18	1
29	17	20	1
30	17	31	1
31	19	21	1
32	19	32	1
33	20	21	2
34	21	22	1
35	22	33	1
36	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1