@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442781
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	F1     2.0794     0.7794     6.9434	F	1	noname	-0.1686
2	C1     2.7444     0.2955     5.9335	C.2	1	noname	0.0076
3	C2     2.0684    -0.0774     4.7586	C.2	1	noname	-0.0067
4	C3     4.1413     0.1595     6.0105	C.2	1	noname	-0.0067
5	C4     2.7863    -0.5983     3.6687	C.2	1	noname	-0.0296
6	C5     4.8582    -0.3623     4.9196	C.2	1	noname	-0.0296
7	C6     4.1832    -0.7873     3.7537	C.2	1	noname	-0.0274
8	N1     4.8931    -1.1822     2.6488	N.3	1	noname	0.0731
9	C7     5.2711    -0.1072     1.8309	C.2	1	noname	0.0437
10	C8     5.2241    -2.5311     2.3328	C.2	1	noname	0.0195
11	N2     4.9640     1.1497     2.1229	N.2	1	noname	-0.1410
12	C9     6.0070    -0.3352     0.6420	C.2	1	noname	0.0645
13	C10     5.9680    -2.7231     1.1199	C.2	1	noname	-0.0231
14	C11     4.9020    -3.7281     3.0859	C.2	1	noname	0.0021
15	C12     5.2920     2.2047     1.3900	C.2	1	noname	0.1143
16	C13     6.3630     0.7847    -0.1489	C.2	1	noname	0.0817
17	C14     6.3459    -1.6411     0.3010	C.2	1	noname	0.0134
18	C15     6.3680    -3.9930     0.6690	C.2	1	noname	-0.0447
19	C16     5.3260    -4.9890     2.5879	C.2	1	noname	-0.0245
20	C17     4.1440    -3.7970     4.3819	C.3	1	noname	0.4176
21	O1     4.9559     3.3527     1.7490	O.2	1	noname	-0.2481
22	N3     5.9949     2.0277     0.2471	N.3	1	noname	0.1044
23	O2     7.0119     0.6678    -1.2128	O.2	1	noname	-0.2831
24	C18     6.0449    -5.1279     1.4030	C.2	1	noname	-0.0637
25	F2     3.9640    -5.0519     4.9259	F	1	noname	-0.1660
26	F3     4.8080    -3.1389     5.3829	F	1	noname	-0.1660
27	F4     2.8570    -3.3560     4.2319	F	1	noname	-0.1660
28	H1     1.0563     0.0355     4.6906	H	1	noname	0.0653
29	H2     4.6402     0.4466     6.8536	H	1	noname	0.0653
30	H3     2.2913    -0.8463     2.8117	H	1	noname	0.0640
31	H4     5.8742    -0.4353     4.9746	H	1	noname	0.0640
32	H5     6.8769    -1.8061    -0.5578	H	1	noname	0.0638
33	H6     6.8969    -4.1039    -0.1988	H	1	noname	0.0629
34	H7     5.1139    -5.8489     3.0919	H	1	noname	0.0629
35	H8     6.2368     2.7957    -0.2918	H	1	noname	0.1424
36	H9     6.3319    -6.0519     1.0781	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	28	1
6	4	6	2
7	4	29	1
8	5	7	2
9	5	30	1
10	6	7	1
11	6	31	1
12	7	8	1
13	8	9	1
14	8	10	1
15	9	11	2
16	9	12	1
17	10	13	2
18	10	14	1
19	11	15	1
20	12	16	1
21	12	17	2
22	13	18	1
23	13	17	1
24	14	19	2
25	14	20	1
26	15	21	2
27	15	22	1
28	16	23	2
29	16	22	1
30	17	32	1
31	18	24	2
32	18	33	1
33	19	24	1
34	19	34	1
35	20	25	1
36	20	26	1
37	20	27	1
38	22	35	1
39	24	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1