@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3342
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.5239     8.3721    -1.4789	O.3	1	noname	-0.2771
2	C1     2.9648     7.7041    -0.3719	C.2	1	noname	0.0018
3	C2     2.1688     7.7021    -2.6909	C.3	1	noname	0.0423
4	C3     3.1098     6.3021    -0.3078	C.2	1	noname	-0.0225
5	C4     3.2878     8.4762     0.7581	C.2	1	noname	-0.0305
6	C5     3.5668     5.6742     0.8692	C.2	1	noname	-0.0390
7	C6     3.7488     7.8622     1.9352	C.2	1	noname	-0.0498
8	C7     3.8867     6.4653     1.9892	C.2	1	noname	-0.0641
9	C8     3.7067     4.2072     0.9132	C.3	1	noname	0.0266
10	N1     2.4357     3.5922     0.7473	N.3	1	noname	-0.0981
11	C9     2.2606     2.2512     0.7083	C.2	1	noname	0.0552
12	N2     3.3356     1.4323     0.8314	N.2	1	noname	-0.2264
13	C10     0.9795     1.6892     0.5404	C.2	1	noname	-0.0044
14	C11     3.2245     0.0843     0.7964	C.2	1	noname	0.0578
15	C12     0.8875     0.2772     0.5064	C.2	1	noname	0.0234
16	C13    -0.2044     2.4403     0.4044	C.2	1	noname	0.0246
17	N3     2.0045    -0.4776     0.6344	N.2	1	noname	-0.2432
18	C14    -0.3585    -0.3486     0.3395	C.2	1	noname	0.0083
19	N4    -1.3905     1.8023     0.2465	N.2	1	noname	-0.2578
20	C15    -1.5045     0.4523     0.2095	C.2	1	noname	0.0377
21	N5    -2.7136    -0.0995     0.0506	N.3	1	noname	-0.1172
22	H1     1.8538     8.4442    -3.4239	H	1	noname	0.0535
23	H2     3.0268     7.1572    -3.0878	H	1	noname	0.0535
24	H3     1.3438     7.0101    -2.5139	H	1	noname	0.0535
25	H4     2.8817     5.7302    -1.1208	H	1	noname	0.0653
26	H5     3.1877     9.4912     0.7252	H	1	noname	0.0650
27	H6     3.9817     8.4303     2.7493	H	1	noname	0.0623
28	H7     4.2207     6.0263     2.8483	H	1	noname	0.0626
29	H8     4.3777     3.8892     0.1123	H	1	noname	0.0482
30	H9     4.1327     3.8892     1.8683	H	1	noname	0.0482
31	H10     1.6586     4.1643     0.6543	H	1	noname	0.1300
32	H11     4.0535    -0.5026     0.8924	H	1	noname	0.1062
33	H12    -0.1835     3.4604     0.4245	H	1	noname	0.0848
34	H13    -0.4286    -1.3666     0.3146	H	1	noname	0.0679
35	H14    -2.8117    -1.0635     0.0216	H	1	noname	0.1257
36	H15    -3.4937     0.4704    -0.0363	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	9	1
14	7	8	1
15	7	27	1
16	8	28	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