@<TRIPOS>MOLECULE
71587639
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.6707    -0.8248     4.4512	Cl	1	noname	-0.0843
2	F1    -1.2686     0.0204    -2.3959	F	1	noname	-0.1664
3	F2     0.9135    -0.4933    -2.0718	F	1	noname	-0.1664
4	F3    -0.6029    -2.0827    -2.4749	F	1	noname	-0.1664
5	O1    -0.0911    -2.5162    -0.2231	O.3	1	noname	-0.3661
6	O2    -0.9109     3.3961    -1.8743	O.3	1	noname	-0.1884
7	O3    -0.6617     3.7351     0.3566	O.2	1	noname	-0.2326
8	N1     0.1573     1.7940    -0.5963	N.3	1	noname	-0.1089
9	C1    -4.4175    -1.0888     0.3394	C.3	1	noname	0.0205
10	C2    -4.7428    -0.3189     1.6208	C.3	1	noname	-0.0382
11	C3    -4.9304     0.3549     0.2609	C.3	1	noname	-0.0382
12	C4    -3.0713    -1.1690     0.1618	C.1	1	noname	-0.0812
13	C5    -0.5497    -1.1703    -0.3009	C.3	1	noname	0.2493
14	C6    -1.8901    -1.2041    -0.0331	C.1	1	noname	-0.0683
15	C7     0.1577    -0.2983     0.7194	C.2	1	noname	0.0064
16	C8    -0.3733    -0.8972    -1.8257	C.3	1	noname	0.4329
17	C9     0.4327     1.1066     0.5430	C.2	1	noname	0.0029
18	C10     0.5339    -0.8731     1.9707	C.2	1	noname	0.0007
19	C11     1.0984     1.8407     1.5614	C.2	1	noname	-0.0174
20	C12     1.1695    -0.1228     2.9802	C.2	1	noname	-0.0057
21	C13     1.4331     1.2455     2.7829	C.2	1	noname	-0.0175
22	C14    -0.4583     3.0178    -0.6626	C.2	1	noname	0.1289
23	C15    -1.7564     4.5106    -2.1716	C.3	1	noname	0.0549
24	C16    -3.0456     4.0121    -2.8275	C.3	1	noname	-0.0409
25	H1    -5.1198    -1.8813     0.0808	H	1	noname	0.0438
26	H2    -5.9878     0.3510    -0.0037	H	1	noname	0.0279
27	H3    -4.3244     1.2601     0.2997	H	1	noname	0.0279
28	H4    -5.7112    -0.6420     2.0029	H	1	noname	0.0279
29	H5    -3.9001     0.0137     2.2268	H	1	noname	0.0279
30	H6     0.3628    -1.8725     2.1529	H	1	noname	0.0643
31	H7     0.8708    -2.5448    -0.4087	H	1	noname	0.2128
32	H8     1.3607     2.8186     1.4399	H	1	noname	0.0640
33	H9     0.3935     1.3291    -1.4267	H	1	noname	0.1396
34	H10     1.9017     1.8221     3.4953	H	1	noname	0.0638
35	H11    -1.9987     5.0390    -1.2495	H	1	noname	0.0570
36	H12    -1.2400     5.1868    -2.8529	H	1	noname	0.0570
37	H13    -3.6900     4.8616    -3.0541	H	1	noname	0.0254
38	H14    -3.5620     3.3359    -2.1462	H	1	noname	0.0254
39	H15    -2.8033     3.4837    -3.7496	H	1	noname	0.0254
@<TRIPOS>BOND
1	1	20	1
2	2	16	1
3	3	16	1
4	4	16	1
5	13	5	1
6	5	31	1
7	6	22	1
8	6	23	1
9	7	22	2
10	8	17	1
11	8	22	1
12	8	33	1
13	9	10	1
14	9	11	1
15	9	12	1
16	9	25	1
17	10	11	1
18	10	28	1
19	10	29	1
20	11	26	1
21	11	27	1
22	12	14	3
23	13	14	1
24	13	15	1
25	13	16	1
26	15	17	2
27	15	18	1
28	17	19	1
29	18	20	2
30	18	30	1
31	19	21	2
32	19	32	1
33	20	21	1
34	21	34	1
35	23	24	1
36	23	35	1
37	23	36	1
38	24	37	1
39	24	38	1
40	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1