@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3343
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.5695     9.6847     0.2608	O.3	1	noname	-0.2774
2	C1     3.5885     8.3227     0.3559	C.2	1	noname	0.0000
3	C2     2.9975    10.5177     1.2729	C.3	1	noname	0.0423
4	C3     3.0634     7.6037     1.4509	C.2	1	noname	-0.0285
5	C4     4.1694     7.6137    -0.7100	C.2	1	noname	-0.0285
6	C5     3.1204     6.1998     1.4729	C.2	1	noname	-0.0435
7	C6     4.2264     6.2098    -0.6899	C.2	1	noname	-0.0435
8	C7     3.6994     5.4908     0.4020	C.2	1	noname	-0.0599
9	C8     3.7553     4.0178     0.4360	C.3	1	noname	0.0265
10	N1     2.4413     3.4759     0.4420	N.3	1	noname	-0.0981
11	C9     2.1912     2.1469     0.4991	C.2	1	noname	0.0552
12	N2     3.2282     1.2749     0.5531	N.2	1	noname	-0.2264
13	C10     0.8712     1.6519     0.5051	C.2	1	noname	-0.0044
14	C11     3.0461    -0.0639     0.6122	C.2	1	noname	0.0578
15	C12     0.7041     0.2480     0.5672	C.2	1	noname	0.0234
16	C13    -0.2808     2.4600     0.4552	C.2	1	noname	0.0246
17	N3     1.7881    -0.5619     0.6182	N.2	1	noname	-0.2432
18	C14    -0.5828    -0.3149     0.5742	C.2	1	noname	0.0083
19	N4    -1.5088     1.8820     0.4652	N.2	1	noname	-0.2578
20	C15    -1.6939     0.5411     0.5222	C.2	1	noname	0.0377
21	N5    -2.9389     0.0491     0.5263	N.3	1	noname	-0.1172
22	H1     3.1035    11.5608     0.9719	H	1	noname	0.0535
23	H2     1.9374    10.2918     1.3949	H	1	noname	0.0535
24	H3     3.5164    10.3717     2.2220	H	1	noname	0.0535
25	H4     2.6394     8.0978     2.2350	H	1	noname	0.0650
26	H5     4.5524     8.1217    -1.5069	H	1	noname	0.0650
27	H6     2.7373     5.6928     2.2720	H	1	noname	0.0626
28	H7     4.6514     5.7118    -1.4729	H	1	noname	0.0626
29	H8     4.2943     3.6339    -0.4338	H	1	noname	0.0482
30	H9     4.2873     3.7039     1.3371	H	1	noname	0.0482
31	H10     1.6912     4.0889     0.4041	H	1	noname	0.1300
32	H11     3.8481    -0.6919     0.6522	H	1	noname	0.1062
33	H12    -0.2068     3.4770     0.4112	H	1	noname	0.0848
34	H13    -0.7059    -1.3268     0.6173	H	1	noname	0.0679
35	H14    -3.0860    -0.9088     0.5673	H	1	noname	0.1257
36	H15    -3.6950     0.6552     0.4873	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	22	1
6	3	23	1
7	3	24	1
8	4	6	1
9	4	25	1
10	5	7	2
11	5	26	1
12	6	8	2
13	6	27	1
14	7	8	1
15	7	28	1
16	8	9	1
17	9	10	1
18	9	29	1
19	9	30	1
20	10	11	1
21	10	31	1
22	11	12	2
23	11	13	1
24	12	14	1
25	13	15	1
26	13	16	2
27	14	17	2
28	14	32	1
29	15	18	2
30	15	17	1
31	16	19	1
32	16	33	1
33	18	20	1
34	18	34	1
35	19	20	2
36	20	21	1
37	21	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1