@<TRIPOS>MOLECULE
71587684
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     4.5811     1.9491    -0.7499	Br	1	noname	-0.0507
2	F1     2.3448     6.2389     3.8168	F	1	noname	-0.1661
3	F2     0.7466     6.9849     2.4377	F	1	noname	-0.1661
4	F3     0.8785     7.7736     4.5289	F	1	noname	-0.1661
5	F4    -3.2567     6.0779     6.5866	F	1	noname	-0.1661
6	F5    -1.6585     5.3319     7.9656	F	1	noname	-0.1661
7	F6    -3.1481     3.9016     7.1009	F	1	noname	-0.1661
8	O1     0.8577     2.8838     1.9079	O.2	1	noname	-0.2543
9	N1    -0.7127     2.1813     3.3479	N.3	1	noname	-0.1238
10	N2     0.0860     0.7907     1.6700	N.3	1	noname	-0.1166
11	N3    -1.2819    -1.7935    -1.3614	N.2	1	noname	-0.2381
12	N4    -1.9424    -0.2185    -0.0620	N.2	1	noname	-0.1019
13	N5    -2.5695    -1.7866    -1.3294	N.3	1	noname	0.0492
14	N6    -2.9666    -0.8297    -0.5441	N.2	1	noname	-0.1768
15	C1    -0.7034     3.3644     3.9770	C.2	1	noname	-0.0022
16	C2     0.1541     5.6035     4.1946	C.2	1	noname	0.0074
17	C3    -1.5319     4.8069     5.7175	C.2	1	noname	0.0074
18	C4    -1.5415     3.5797     5.0648	C.2	1	noname	0.0020
19	C5     0.1444     4.3763     3.5419	C.2	1	noname	0.0020
20	C6    -0.6841     5.8188     5.2824	C.2	1	noname	0.0079
21	C7     0.8940     0.5832     0.6214	C.2	1	noname	0.0317
22	C8     0.5011    -0.3225    -0.4223	C.2	1	noname	0.0111
23	C9     1.0446     6.6664     3.7375	C.3	1	noname	0.4161
24	C10    -2.4122     5.0330     6.8600	C.3	1	noname	0.4161
25	C11     0.0953     1.9738     2.2992	C.2	1	noname	0.1208
26	C12     2.1555     1.2659     0.5379	C.2	1	noname	0.0040
27	C13     1.4105    -0.6316    -1.4914	C.2	1	noname	0.0017
28	C14    -0.8368    -0.7993    -0.5655	C.2	1	noname	0.1368
29	C15     2.9908     1.0043    -0.5865	C.2	1	noname	0.0067
30	C16     2.6586     0.0474    -1.5933	C.2	1	noname	-0.0216
31	H1    -2.1637     2.8371     5.3841	H	1	noname	0.0645
32	H2     0.7595     4.2183     2.7437	H	1	noname	0.0645
33	H3    -0.6770     6.7194     5.7613	H	1	noname	0.0634
34	H4    -1.3043     1.4752     3.6515	H	1	noname	0.1385
35	H5    -0.5057     0.0845     1.9737	H	1	noname	0.1385
36	H6     2.4455     1.9205     1.2644	H	1	noname	0.0651
37	H7     1.1610    -1.3409    -2.1807	H	1	noname	0.0631
38	H8     3.2979    -0.1446    -2.3646	H	1	noname	0.0634
39	H9    -3.1487    -2.3963    -1.8128	H	1	noname	0.2008
@<TRIPOS>BOND
1	1	29	1
2	2	23	1
3	3	23	1
4	4	23	1
5	5	24	1
6	6	24	1
7	7	24	1
8	8	25	2
9	9	15	1
10	9	25	1
11	9	34	1
12	10	21	1
13	10	25	1
14	10	35	1
15	11	13	1
16	11	28	2
17	12	14	2
18	12	28	1
19	13	14	1
20	13	39	1
21	15	18	2
22	15	19	1
23	16	19	2
24	16	20	1
25	16	23	1
26	17	18	1
27	17	20	2
28	17	24	1
29	18	31	1
30	19	32	1
31	20	33	1
32	21	22	2
33	21	26	1
34	22	27	1
35	22	28	1
36	26	29	2
37	26	36	1
38	27	30	2
39	27	37	1
40	29	30	1
41	30	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1