@<TRIPOS>MOLECULE
86278332
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.3869    -0.2091     2.0197	S	1	noname	-0.0283
2	F1     2.9128     0.9986    -0.8840	F	1	noname	-0.1660
3	F2     3.8068    -1.0471    -0.7157	F	1	noname	-0.1660
4	F3     2.6778    -0.4671    -2.5600	F	1	noname	-0.1660
5	F4    -0.3928    -2.4847     5.7829	F	1	noname	-0.2077
6	F5    -0.7670    -0.3732     5.1396	F	1	noname	-0.2077
7	O1    -0.7259    -1.1377     2.4538	O.3	1	noname	-0.2545
8	O2     2.0472     1.4649     2.1945	O.3	1	noname	-0.1463
9	O3     2.4963    -0.8325     3.4975	O.2	1	noname	-0.1652
10	O4     3.8585    -0.4181     1.4140	O.2	1	noname	-0.1652
11	C1     1.1724    -0.8462     0.8285	C.2	1	noname	0.0818
12	C2     1.4860    -0.8253    -0.5841	C.2	1	noname	0.0744
13	C3    -0.1592    -1.2710     1.2004	C.2	1	noname	0.0835
14	C4     0.5460    -1.2834    -1.5481	C.2	1	noname	-0.0121
15	C5    -1.0639    -1.7450     0.2070	C.2	1	noname	-0.0021
16	C6     2.7455    -0.3254    -1.1980	C.3	1	noname	0.4178
17	C7    -0.7172    -1.7477    -1.1535	C.2	1	noname	-0.0076
18	C8    -0.1815    -1.9618     3.4805	C.3	1	noname	0.1142
19	C9    -0.9167    -1.6917     4.7948	C.3	1	noname	0.2617
20	H1     0.7579    -1.3006    -2.5574	H	1	noname	0.0629
21	H2    -2.0075    -2.0649     0.4769	H	1	noname	0.0650
22	H3    -1.3936    -2.0740    -1.8597	H	1	noname	0.0623
23	H4    -0.3005    -3.0100     3.2065	H	1	noname	0.0632
24	H5     0.8778    -1.7365     3.6038	H	1	noname	0.0632
25	H6    -1.9760    -1.9170     4.6716	H	1	noname	0.1061
26	H7     2.8874     1.9608     2.2869	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	8	1
2	1	9	2
3	1	10	2
4	1	11	1
5	2	16	1
6	3	16	1
7	4	16	1
8	5	19	1
9	6	19	1
10	7	13	1
11	7	18	1
12	8	26	1
13	11	12	2
14	11	13	1
15	12	14	1
16	12	16	1
17	13	15	2
18	14	17	2
19	14	20	1
20	15	17	1
21	15	21	1
22	17	22	1
23	18	19	1
24	18	23	1
25	18	24	1
26	19	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1