@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3769
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.2654     2.4795    -0.4424	S.3	1	noname	-0.1913
2	C1    -0.0725     0.9446     0.3415	C.2	1	noname	0.0344
3	C2    -1.9774     2.2026    -0.3914	C.2	1	noname	0.0226
4	C3     1.1383     0.3437     0.7125	C.2	1	noname	0.0604
5	C4    -1.2585     0.2657     0.6195	C.2	1	noname	0.0482
6	C5    -2.3625     0.9917     0.1956	C.2	1	noname	0.0251
7	C6    -2.9474     3.0896    -0.8863	C.2	1	noname	-0.0162
8	N1     1.0933    -0.8721     1.3206	N.2	1	noname	-0.2181
9	N2     2.2963     0.9947     0.4386	N.3	1	noname	0.0097
10	N3    -1.2496    -0.9431     1.2296	N.2	1	noname	-0.2306
11	C7    -3.7205     0.6387     0.3016	C.2	1	noname	-0.0171
12	C8    -4.3094     2.7476    -0.7853	C.2	1	noname	-0.0391
13	C9    -0.0726    -1.5170     1.5826	C.2	1	noname	0.0464
14	C10     3.5521     0.5658     0.7266	C.2	1	noname	-0.0218
15	C11    -4.6955     1.5268    -0.1942	C.2	1	noname	-0.0202
16	C12     3.9041    -0.0090     1.9666	C.2	1	noname	-0.0237
17	C13     4.5521     0.7608    -0.2422	C.2	1	noname	-0.0551
18	N4    -5.9965     1.2098    -0.1011	N.3	1	noname	-0.1544
19	C14     5.2290    -0.4160     2.2427	C.2	1	noname	-0.0115
20	C15     5.8740     0.3639     0.0108	C.2	1	noname	-0.0534
21	C16     6.2079    -0.2219     1.2428	C.2	1	noname	-0.0484
22	C17     5.5479    -1.0219     3.5627	C.3	1	noname	0.4161
23	F1     6.8678    -1.3789     3.7118	F	1	noname	-0.1661
24	F2     5.2569    -0.1349     4.5717	F	1	noname	-0.1661
25	F3     4.8009    -2.1588     3.7548	F	1	noname	-0.1661
26	H1    -2.6675     3.9736    -1.3122	H	1	noname	0.0638
27	H2     2.2222     1.8298    -0.0512	H	1	noname	0.1357
28	H3    -3.9935    -0.2461     0.7317	H	1	noname	0.0646
29	H4    -5.0174     3.3897    -1.1432	H	1	noname	0.0639
30	H5    -0.0637    -2.4280     2.0407	H	1	noname	0.1062
31	H6     3.1880    -0.1290     2.6847	H	1	noname	0.0645
32	H7     4.3190     1.1889    -1.1401	H	1	noname	0.0639
33	H8    -6.2656     0.3719     0.3068	H	1	noname	0.1242
34	H9    -6.6706     1.8189    -0.4421	H	1	noname	0.1242
35	H10     6.5940     0.5040    -0.6991	H	1	noname	0.0623
36	H11     7.1748    -0.5028     1.4078	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	26	1
14	8	13	2
15	9	14	1
16	9	27	1
17	10	13	1
18	11	15	2
19	11	28	1
20	12	15	1
21	12	29	1
22	13	30	1
23	14	16	2
24	14	17	1
25	15	18	1
26	16	19	1
27	16	31	1
28	17	20	2
29	17	32	1
30	18	33	1
31	18	34	1
32	19	21	2
33	19	22	1
34	20	21	1
35	20	35	1
36	21	36	1
37	22	23	1
38	22	24	1
39	22	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1