@<TRIPOS>MOLECULE
56637813
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.1232    -3.6369     0.1726	S.3	1	noname	-0.1160
2	F1     1.5391     3.0466    -1.6337	F	1	noname	-0.1510
3	O1    -1.7344    -1.1882     0.0508	O.3	1	noname	-0.3368
4	O2    -4.3616    -1.6595     1.4437	O.3	1	noname	-0.2075
5	O3    -1.2493    -1.2740    -3.2884	O.2	1	noname	-0.2480
6	O4    -3.8928    -3.5907     0.3838	O.2	1	noname	-0.2412
7	N1    -0.1914    -0.2013    -1.5653	N.3	1	noname	0.0703
8	N2    -0.1778     0.6753    -3.7853	N.2	1	noname	-0.1407
9	N3     0.9030     2.6837    -4.3209	N.3	1	noname	-0.1141
10	C1    -0.4272    -1.2826    -0.5995	C.3	1	noname	0.1338
11	C2    -0.2095    -2.7217    -1.1413	C.3	1	noname	0.0373
12	C3    -2.0499    -2.2569     0.9699	C.3	1	noname	0.1905
13	C4     0.4922     0.9494    -1.1699	C.2	1	noname	0.0080
14	C5    -0.5659    -0.3030    -2.8977	C.2	1	noname	0.1078
15	C6    -3.4817    -2.5375     0.9169	C.2	1	noname	0.1555
16	C7     0.8961     1.9918    -2.0417	C.2	1	noname	0.0434
17	C8     0.5373     1.7830    -3.3986	C.2	1	noname	0.0091
18	H1     0.3049    -1.2209     0.2105	H	1	noname	0.0796
19	H2    -0.7304    -2.8347    -2.0921	H	1	noname	0.0422
20	H3     0.8354    -3.0113    -1.2529	H	1	noname	0.0422
21	H4    -1.6448    -2.0440     1.9592	H	1	noname	0.0835
22	H5     0.7180     1.0477    -0.1801	H	1	noname	0.0790
23	H6    -5.2618    -1.5809     1.0646	H	1	noname	0.2214
24	H7     0.5855     2.4009    -5.1927	H	1	noname	0.1258
25	H8     0.5180     3.5464    -4.1008	H	1	noname	0.1258
@<TRIPOS>BOND
1	1	11	1
2	1	12	1
3	2	16	1
4	3	10	1
5	3	12	1
6	4	15	1
7	4	23	1
8	5	14	2
9	6	15	2
10	10	7	1
11	7	13	1
12	7	14	1
13	8	14	1
14	8	17	2
15	9	17	1
16	9	24	1
17	9	25	1
18	10	11	1
19	10	18	1
20	11	19	1
21	11	20	1
22	12	15	1
23	12	21	1
24	13	16	2
25	13	22	1
26	16	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1