@<TRIPOS>MOLECULE
76963351
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.5552     0.5025     0.5736	S.2	1	noname	0.1470
2	F1     0.4002     3.7919    -4.1001	F	1	noname	-0.1660
3	F2     2.4628     3.3315    -4.8390	F	1	noname	-0.1660
4	F3     1.0923     1.6670    -4.2360	F	1	noname	-0.1660
5	O1     1.9846    -0.7321    -0.2500	O.2	1	noname	-0.3072
6	O2     4.4121     4.2206     1.6690	O.3	1	noname	-0.2102
7	O3     3.0355     2.5463     2.2809	O.2	1	noname	-0.2471
8	N1     2.9274     4.2912    -0.7481	N.2	1	noname	-0.1872
9	C1     2.5180     1.9218    -0.4148	C.2	1	noname	0.0693
10	C2     1.9841     3.0322    -2.5969	C.2	1	noname	0.0509
11	C3     2.0263     1.8743    -1.7576	C.2	1	noname	0.0416
12	C4     2.9793     3.1858     0.0854	C.2	1	noname	0.0851
13	C5     2.4567     4.2730    -2.0510	C.2	1	noname	0.0554
14	C6     1.4771     2.9545    -3.9638	C.3	1	noname	0.4176
15	C7     4.2516     0.1606     1.0690	C.3	1	noname	-0.0009
16	C8     3.4688     3.2986     1.3815	C.2	1	noname	0.1199
17	H1     1.6945     0.9843    -2.1293	H	1	noname	0.0637
18	H2     2.4460     5.1250    -2.6116	H	1	noname	0.0845
19	H3     4.6428     1.0069     1.6336	H	1	noname	0.0313
20	H4     4.2751    -0.7336     1.6917	H	1	noname	0.0313
21	H5     4.8642     0.0016     0.1816	H	1	noname	0.0313
22	H6     5.0603     4.0517     2.3843	H	1	noname	0.2217
@<TRIPOS>BOND
1	1	5	2
2	1	9	1
3	1	15	1
4	2	14	1
5	3	14	1
6	4	14	1
7	6	16	1
8	6	22	1
9	7	16	2
10	8	12	1
11	8	13	2
12	9	11	1
13	9	12	2
14	10	11	2
15	10	13	1
16	10	14	1
17	11	17	1
18	12	16	1
19	13	18	1
20	15	19	1
21	15	20	1
22	15	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1