@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3330
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     6.4814     8.1280     0.7762	O.2	1	noname	-0.2773
2	C1     7.3473     7.3231     1.1912	C.2	1	noname	0.1268
3	N1     7.0882     6.0102     1.4132	N.3	1	noname	-0.1451
4	C2     8.6911     7.8251     1.4752	C.3	1	noname	0.0098
5	C3     5.9062     5.3683     1.2223	C.2	1	noname	-0.0442
6	C4     5.5852     4.3224     2.1093	C.2	1	noname	-0.0364
7	C5     5.0152     5.6633     0.1674	C.2	1	noname	-0.0364
8	C6     4.3892     3.5985     1.9604	C.2	1	noname	-0.0493
9	C7     3.8193     4.9404     0.0194	C.2	1	noname	-0.0493
10	C8     3.5002     3.8955     0.9065	C.2	1	noname	-0.0303
11	N2     2.3173     3.2536     0.7305	N.3	1	noname	0.0068
12	C9     2.1032     1.9097     0.7925	C.2	1	noname	0.0582
13	N3     3.1231     1.0488     1.0426	N.2	1	noname	-0.2177
14	C10     0.8102     1.3858     0.5796	C.2	1	noname	0.0028
15	C11     2.9531    -0.2920     1.1016	C.2	1	noname	0.0594
16	C12     0.6532    -0.0200     0.6437	C.2	1	noname	0.0249
17	C13    -0.3297     2.1688     0.3077	C.2	1	noname	0.0256
18	N4     1.7211    -0.8109     0.9007	N.2	1	noname	-0.2358
19	C14    -0.6067    -0.6060     0.4397	C.2	1	noname	0.0085
20	N5    -1.5306     1.5688     0.1157	N.2	1	noname	-0.2577
21	C15    -1.7026     0.2259     0.1708	C.2	1	noname	0.0377
22	N6    -2.9226    -0.2869    -0.0321	N.3	1	noname	-0.1172
23	H1     7.8122     5.4863     1.7873	H	1	noname	0.1370
24	H2     8.7461     8.8921     1.2583	H	1	noname	0.0324
25	H3     8.9261     7.6602     2.5272	H	1	noname	0.0324
26	H4     9.4151     7.2962     0.8553	H	1	noname	0.0324
27	H5     6.2181     4.0894     2.8743	H	1	noname	0.0639
28	H6     5.2342     6.4043    -0.4995	H	1	noname	0.0639
29	H7     4.1672     2.8585     2.6254	H	1	noname	0.0639
30	H8     3.1842     5.1744    -0.7444	H	1	noname	0.0639
31	H9     1.5593     3.8076     0.4916	H	1	noname	0.1357
32	H10     3.7460    -0.9049     1.2926	H	1	noname	0.1062
33	H11    -0.2657     3.1857     0.2537	H	1	noname	0.0848
34	H12    -0.7207    -1.6199     0.4848	H	1	noname	0.0679
35	H13    -3.0606    -1.2458     0.0049	H	1	noname	0.1257
36	H14    -3.6686     0.3040    -0.2180	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	23	1
6	4	24	1
7	4	25	1
8	4	26	1
9	5	6	2
10	5	7	1
11	6	8	1
12	6	27	1
13	7	9	2
14	7	28	1
15	8	10	2
16	8	29	1
17	9	10	1
18	9	30	1
19	10	11	1
20	11	12	1
21	11	31	1
22	12	13	2
23	12	14	1
24	13	15	1
25	14	16	1
26	14	17	2
27	15	18	2
28	15	32	1
29	16	19	2
30	16	18	1
31	17	20	1
32	17	33	1
33	19	21	1
34	19	34	1
35	20	21	2
36	21	22	1
37	22	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1