@<TRIPOS>MOLECULE
118796485
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.9735     6.5600     3.9664	S	1	noname	-0.0186
2	F1    -0.2467     1.9700     1.3575	F	1	noname	-0.1673
3	F2    -2.3912     2.0008     1.9998	F	1	noname	-0.1673
4	F3    -1.1455     3.8534     2.1684	F	1	noname	-0.1673
5	O1     4.0682     6.7859    -0.4894	O.3	1	noname	-0.3352
6	O2     2.6175     6.9815     5.4785	O.2	1	noname	-0.1934
7	O3     3.9850     5.3006     3.9654	O.2	1	noname	-0.1934
8	O4    -2.9977     3.9369     0.0709	O.3	1	noname	-0.3732
9	O5     3.1350     4.3431     0.6546	O.2	1	noname	-0.2792
10	O6    -0.5339     3.4812    -1.8459	O.2	1	noname	-0.2613
11	N1     0.2484     4.7228    -0.1321	N.3	1	noname	-0.1212
12	C1     1.4866     6.0200     3.1531	C.2	1	noname	0.0577
13	C2     3.6445     7.9888     2.9969	C.3	1	noname	0.0896
14	C3     1.5349     5.5559     1.7997	C.2	1	noname	0.0735
15	C4     3.8698     7.7017     1.5662	C.2	1	noname	0.0474
16	C5     0.3008     5.2395     1.1482	C.2	1	noname	0.0405
17	C6     3.5439     6.5981     0.7612	C.2	1	noname	0.0863
18	C7     2.7701     5.4500     1.0994	C.2	1	noname	0.1194
19	C8    -1.8035     3.1398     0.0058	C.3	1	noname	0.2312
20	C9     0.2540     6.1464     3.8528	C.2	1	noname	0.0221
21	C10    -0.9093     5.5408     1.8298	C.2	1	noname	0.0085
22	C11     4.5696     8.5706     0.7564	C.2	1	noname	0.0204
23	C12    -0.6822     3.8362    -0.6564	C.2	1	noname	0.1509
24	C13    -0.9335     5.8615     3.1886	C.2	1	noname	-0.0131
25	C14    -1.3859     2.7303     1.4196	C.3	1	noname	0.4252
26	C15    -2.1875     1.9290    -0.8471	C.3	1	noname	-0.0182
27	C16     4.6834     7.9883    -0.4922	C.2	1	noname	0.0578
28	H1     2.9730     8.8418     3.0950	H	1	noname	0.0518
29	H2     4.5847     8.3408     3.4214	H	1	noname	0.0518
30	H3     0.2137     6.4937     4.8060	H	1	noname	0.0639
31	H4     0.9558     4.9835    -0.7477	H	1	noname	0.1372
32	H5    -1.8062     5.5472     1.3413	H	1	noname	0.0639
33	H6     4.9540     9.4659     1.0406	H	1	noname	0.0648
34	H7    -1.8169     5.9427     3.6737	H	1	noname	0.0623
35	H8    -1.3273     1.2670    -0.9464	H	1	noname	0.0268
36	H9    -3.0060     1.3919    -0.3679	H	1	noname	0.0268
37	H10    -2.5028     2.2656    -1.8347	H	1	noname	0.0268
38	H11     5.1680     8.4065    -1.2830	H	1	noname	0.0900
39	H12    -3.2853     4.1692    -0.8367	H	1	noname	0.2118
@<TRIPOS>BOND
1	1	6	2
2	1	7	2
3	1	12	1
4	1	13	1
5	2	25	1
6	3	25	1
7	4	25	1
8	5	17	1
9	5	27	1
10	19	8	1
11	8	39	1
12	9	18	2
13	10	23	2
14	11	16	1
15	11	23	1
16	11	31	1
17	12	14	1
18	12	20	2
19	13	15	1
20	13	28	1
21	13	29	1
22	14	16	2
23	14	18	1
24	15	17	2
25	15	22	1
26	16	21	1
27	17	18	1
28	19	23	1
29	19	25	1
30	19	26	1
31	20	24	1
32	20	30	1
33	21	24	2
34	21	32	1
35	22	27	2
36	22	33	1
37	24	34	1
38	26	35	1
39	26	36	1
40	26	37	1
41	27	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1