@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3765
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.3507     2.6326     0.3507	S.3	1	noname	-0.1858
2	C1    -0.0897     0.9187     0.3757	C.2	1	noname	0.0371
3	C2    -2.0367     2.2946     0.1237	C.2	1	noname	0.0536
4	C3     1.1391     0.2628     0.5308	C.2	1	noname	0.0915
5	C4    -1.2368     0.1418     0.2198	C.2	1	noname	0.0824
6	C5    -2.3647     0.9367     0.0738	C.2	1	noname	0.0494
7	C6    -3.0397     3.2676    -0.0061	C.2	1	noname	0.0047
8	N1     1.1460    -1.0981     0.5288	N.2	1	noname	-0.2089
9	N2     2.2599     1.0108     0.6868	N.3	1	noname	0.0142
10	N3    -1.1768    -1.2110     0.2209	N.2	1	noname	-0.2212
11	C7    -3.6967     0.5228    -0.1061	C.2	1	noname	0.0482
12	C8    -4.3747     2.8587    -0.1840	C.2	1	noname	0.0261
13	C9     0.0160    -1.8360     0.3769	C.2	1	noname	0.0788
14	C10     3.5269     0.5469     0.8459	C.2	1	noname	-0.0218
15	C11    -4.7257     1.4868    -0.2370	C.2	1	noname	0.0402
16	C12     4.0598    -0.5179     0.0889	C.2	1	noname	-0.0236
17	C13     4.3538     1.2049     1.7739	C.2	1	noname	-0.0550
18	N4    -6.0277     1.1028    -0.4099	N.2	1	noname	-0.0147
19	C14     5.3947    -0.9509     0.2610	C.2	1	noname	-0.0114
20	C15     5.6817     0.7900     1.9619	C.2	1	noname	-0.0534
21	O1    -6.3478    -0.0550    -0.4579	O.2	1	noname	-0.1447
22	O2    -6.9187     1.9069    -0.5228	O.3	1	noname	-0.1447
23	C16     6.1956    -0.2808     1.2130	C.2	1	noname	-0.0482
24	C17     5.9086    -2.0808    -0.5568	C.3	1	noname	0.4161
25	F1     7.2225    -2.4027    -0.3078	F	1	noname	-0.1661
26	F2     5.1656    -3.2117    -0.3188	F	1	noname	-0.1661
27	F3     5.8185    -1.7747    -1.8937	F	1	noname	-0.1661
28	H1    -2.8028     4.2596     0.0298	H	1	noname	0.0638
29	H2     2.1389     1.9718     0.7308	H	1	noname	0.1357
30	H3    -3.9187    -0.4740    -0.1410	H	1	noname	0.0654
31	H4    -5.0998     3.5717    -0.2770	H	1	noname	0.0647
32	H5     0.0649    -2.8549     0.3799	H	1	noname	0.1062
33	H6     3.4737    -0.9839    -0.6049	H	1	noname	0.0645
34	H7     3.9897     1.9869     2.3199	H	1	noname	0.0639
35	H8     6.2736     1.2680     2.6420	H	1	noname	0.0623
36	H9     7.1635    -0.5668     1.3641	H	1	noname	0.0628
@<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	28	1
14	8	13	2
15	9	14	1
16	9	29	1
17	10	13	1
18	11	15	2
19	11	30	1
20	12	15	1
21	12	31	1
22	13	32	1
23	14	16	2
24	14	17	1
25	15	18	1
26	16	19	1
27	16	33	1
28	17	20	2
29	17	34	1
30	18	21	2
31	18	22	1
32	19	23	2
33	19	24	1
34	20	23	1
35	20	35	1
36	23	36	1
37	24	25	1
38	24	26	1
39	24	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1