@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443937
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    13.3292    -8.2616     0.3468	O.3	1	noname	-0.3617
2	C1    14.2312    -7.2515     0.4309	C.2	1	noname	0.0502
3	C2    12.1171    -7.6765     0.5199	C.2	1	noname	0.0982
4	C3    15.6282    -7.2585     0.3269	C.2	1	noname	0.0912
5	C4    13.6041    -6.0295     0.6559	C.2	1	noname	0.1136
6	C5    12.2491    -6.3045     0.7130	C.2	1	noname	0.0990
7	C6    10.8381    -8.2495     0.5260	C.2	1	noname	0.0308
8	N1    16.2931    -6.0804     0.4510	N.2	1	noname	-0.2174
9	N2    16.3041    -8.3935     0.1110	N.3	1	noname	-0.0997
10	N3    14.2961    -4.8724     0.7740	N.2	1	noname	-0.2184
11	N4    11.1720    -5.5094     0.9070	N.2	1	noname	-0.2099
12	C7     9.6960    -7.4304     0.7260	C.2	1	noname	0.0128
13	C8    15.6511    -4.9013     0.6710	C.2	1	noname	0.0635
14	C9     9.9199    -6.0393     0.9180	C.2	1	noname	0.0181
15	C10     8.3779    -7.9784     0.7290	C.2	1	noname	-0.0505
16	C11     8.0428    -9.0854    -0.0869	C.2	1	noname	-0.0323
17	C12     7.3568    -7.4333     1.5441	C.2	1	noname	-0.0323
18	C13     6.7438    -9.6204    -0.0908	C.2	1	noname	-0.0254
19	C14     6.0578    -7.9683     1.5411	C.2	1	noname	-0.0254
20	C15     5.7397    -9.0683     0.7201	C.2	1	noname	0.0056
21	O2     4.5017    -9.6413     0.6591	O.3	1	noname	-0.2770
22	C16     3.3936    -9.1632     1.4272	C.3	1	noname	0.0423
23	H1    10.7480    -9.2575     0.3940	H	1	noname	0.0658
24	H2    15.8281    -9.2334     0.0220	H	1	noname	0.1258
25	H3    17.2711    -8.3724     0.0440	H	1	noname	0.1258
26	H4    16.1861    -4.0373     0.7581	H	1	noname	0.1062
27	H5     9.1329    -5.4043     1.0551	H	1	noname	0.0846
28	H6     8.7408    -9.5073    -0.7009	H	1	noname	0.0630
29	H7     7.5528    -6.6433     2.1601	H	1	noname	0.0630
30	H8     6.5278   -10.4163    -0.6928	H	1	noname	0.0650
31	H9     5.3457    -7.5513     2.1412	H	1	noname	0.0650
32	H10     2.5206    -9.7762     1.2053	H	1	noname	0.0535
33	H11     3.6136    -9.2362     2.4943	H	1	noname	0.0535
34	H12     3.1716    -8.1262     1.1683	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	8	1
8	4	9	1
9	5	10	2
10	5	6	1
11	6	11	1
12	7	12	2
13	7	23	1
14	8	13	2
15	9	24	1
16	9	25	1
17	10	13	1
18	11	14	2
19	12	15	1
20	12	14	1
21	13	26	1
22	14	27	1
23	15	16	2
24	15	17	1
25	16	18	1
26	16	28	1
27	17	19	2
28	17	29	1
29	18	20	2
30	18	30	1
31	19	20	1
32	19	31	1
33	20	21	1
34	21	22	1
35	22	32	1
36	22	33	1
37	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1