@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442789
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	F1    -1.6461    -0.3464     5.0312	F	1	noname	-0.1614
2	C1    -2.9432    -0.2923     4.9022	C.2	1	noname	0.0290
3	C2    -3.5703    -0.7443     3.7162	C.2	1	noname	0.0232
4	C3    -3.7143     0.2216     5.9613	C.2	1	noname	-0.0088
5	N1    -2.8293    -1.1392     2.6292	N.3	1	noname	0.0849
6	C4    -4.9684    -0.5862     3.5822	C.2	1	noname	-0.0331
7	C5    -5.1084     0.3247     5.8333	C.2	1	noname	-0.0603
8	C6    -2.4324    -0.0631     1.8202	C.2	1	noname	0.0461
9	C7    -2.4903    -2.4882     2.3192	C.2	1	noname	0.0197
10	C8    -5.7354    -0.0712     4.6403	C.2	1	noname	-0.0630
11	N2    -2.7444     1.1928     2.1082	N.2	1	noname	-0.1407
12	C9    -1.6724    -0.2911     0.6462	C.2	1	noname	0.0648
13	C10    -1.7293    -2.6792     1.1172	C.2	1	noname	-0.0222
14	C11    -2.8204    -3.6842     3.0693	C.2	1	noname	0.0031
15	C12    -2.3984     2.2489     1.3863	C.2	1	noname	0.1143
16	C13    -1.2964     0.8309    -0.1337	C.2	1	noname	0.0817
17	C14    -1.3334    -1.5971     0.3083	C.2	1	noname	0.0136
18	C15    -1.3294    -3.9502     0.6683	C.2	1	noname	-0.0446
19	C16    -2.3964    -4.9452     2.5734	C.2	1	noname	-0.0243
20	C17    -3.5855    -3.7522     4.3624	C.3	1	noname	0.4176
21	O1    -2.7415     3.3970     1.7383	O.2	1	noname	-0.2481
22	N3    -1.6694     2.0739     0.2582	N.3	1	noname	0.1044
23	O2    -0.6264     0.7149    -1.1836	O.2	1	noname	-0.2831
24	C18    -1.6654    -5.0852     1.3963	C.2	1	noname	-0.0629
25	F2    -3.7555    -5.0052     4.9135	F	1	noname	-0.1660
26	F3    -2.9365    -3.0821     5.3635	F	1	noname	-0.1660
27	F4    -4.8765    -3.3271     4.2024	F	1	noname	-0.1660
28	H1    -3.2613     0.5297     6.8223	H	1	noname	0.0653
29	H2    -5.4285    -0.8522     2.7113	H	1	noname	0.0640
30	H3    -5.6654     0.6997     6.6014	H	1	noname	0.0623
31	H4    -6.7465     0.0208     4.5394	H	1	noname	0.0623
32	H5    -0.7884    -1.7621    -0.5426	H	1	noname	0.0638
33	H6    -0.7904    -4.0622    -0.1936	H	1	noname	0.0629
34	H7    -2.6155    -5.8052     3.0744	H	1	noname	0.0629
35	H8    -1.4145     2.8430    -0.2726	H	1	noname	0.1424
36	H9    -1.3775    -6.0102     1.0724	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	6	1
6	4	7	2
7	4	28	1
8	5	8	1
9	5	9	1
10	6	10	2
11	6	29	1
12	7	10	1
13	7	30	1
14	8	11	2
15	8	12	1
16	9	13	2
17	9	14	1
18	10	31	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