@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443947
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     8.8537    -4.3331     1.9916	O.3	1	noname	-0.3618
2	C1     9.3577    -3.3422     2.7716	C.2	1	noname	0.0592
3	C2     7.9098    -3.7391     1.2187	C.2	1	noname	0.0982
4	C3    10.3515    -3.3801     3.7576	C.2	1	noname	0.0951
5	C4     8.7426    -2.1232     2.5006	C.2	1	noname	0.1151
6	C5     7.8137    -2.3782     1.5067	C.2	1	noname	0.1034
7	C6     7.0778    -4.2951     0.2368	C.2	1	noname	0.0220
8	N1    10.6605    -2.2122     4.3886	N.2	1	noname	-0.2069
9	N2    10.9625    -4.5600     4.0296	N.3	1	noname	0.0147
10	N3     9.0766    -0.9862     3.1516	N.2	1	noname	-0.2098
11	N4     6.9358    -1.5732     0.8608	N.2	1	noname	-0.2134
12	C7     6.1668    -3.4531    -0.4310	C.2	1	noname	-0.0070
13	C8    10.0444    -1.0332     4.1026	C.2	1	noname	0.0652
14	C9    11.9323    -4.7689     4.9566	C.2	1	noname	-0.0414
15	C10     6.1138    -2.0831    -0.0980	C.2	1	noname	0.0088
16	C11    13.0112    -5.6019     4.6077	C.2	1	noname	-0.0458
17	C12    11.8743    -4.2360     6.2616	C.2	1	noname	-0.0458
18	C13    14.0281    -5.8778     5.5366	C.2	1	noname	-0.0310
19	C14    12.8912    -4.5139     7.1915	C.2	1	noname	-0.0310
20	C15    13.9781    -5.3378     6.8336	C.2	1	noname	-0.0223
21	O2    15.0020    -5.6557     7.6816	O.3	1	noname	-0.2811
22	C16    15.0569    -5.1857     9.0305	C.3	1	noname	0.0423
23	H1     7.1317    -5.2889     0.0119	H	1	noname	0.0651
24	H2    10.7104    -5.3189     3.4807	H	1	noname	0.1358
25	H3     5.5498    -3.8320    -1.1499	H	1	noname	0.0639
26	H4    10.3104    -0.1842     4.6026	H	1	noname	0.1062
27	H5     5.4558    -1.4691    -0.5779	H	1	noname	0.0839
28	H6    13.0622    -6.0068     3.6718	H	1	noname	0.0640
29	H7    11.0873    -3.6500     6.5426	H	1	noname	0.0640
30	H8    14.8071    -6.4797     5.2677	H	1	noname	0.0650
31	H9    12.8312    -4.1169     8.1285	H	1	noname	0.0650
32	H10    15.9618    -5.5726     9.5006	H	1	noname	0.0535
33	H11    15.0879    -4.0957     9.0516	H	1	noname	0.0535
34	H12    14.1899    -5.5406     9.5905	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	14	1
16	9	24	1
17	10	13	1
18	11	15	2
19	12	15	1
20	12	25	1
21	13	26	1
22	14	16	2
23	14	17	1
24	15	27	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