@<TRIPOS>MOLECULE
71587692
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     7.8109     4.9394     1.7438	S.2	1	noname	0.1665
2	F1     4.8066     4.1659     8.2178	F	1	noname	-0.1684
3	F2     3.2842     4.6676     6.6547	F	1	noname	-0.1684
4	F3     3.3056     2.6306     7.5835	F	1	noname	-0.1684
5	O1     4.2955     2.6820     4.9752	O.3	1	noname	-0.2664
6	O2     9.0789     4.3680     2.5464	O.2	1	noname	-0.2884
7	N1     9.6771     6.2965     0.2552	N.3	1	noname	-0.0068
8	N2     7.5649     6.6104    -0.4112	N.2	1	noname	-0.1998
9	N3     6.9089     1.3333     2.0434	N.2	1	noname	-0.2624
10	C1     6.9469     3.5103     0.9561	C.3	1	noname	0.0567
11	C2     6.4736     2.6467     2.0205	C.2	1	noname	0.0077
12	C3     8.3847     5.9868     0.4565	C.2	1	noname	-0.0038
13	C4     5.5714     3.1539     2.9977	C.2	1	noname	0.0121
14	C5     9.6898     7.1662    -0.7600	C.2	1	noname	-0.0431
15	C6     8.3549     7.3655    -1.1824	C.2	1	noname	0.0157
16	C7     5.1408     2.2527     4.0141	C.2	1	noname	0.0124
17	C8    10.7748     7.8987    -1.3203	C.2	1	noname	-0.0326
18	C9     5.1073     4.5377     2.9603	C.3	1	noname	0.0204
19	C10     8.0179     8.3093    -2.1939	C.2	1	noname	-0.0100
20	C11     5.5969     0.8963     4.0245	C.2	1	noname	0.0019
21	C12    10.4462     8.8699    -2.3171	C.2	1	noname	-0.0475
22	C13     6.4998     0.4371     3.0123	C.2	1	noname	-0.0040
23	C14     9.0952     9.0707    -2.7456	C.2	1	noname	-0.0439
24	C15     5.0429     3.1894     6.0708	C.3	1	noname	0.1490
25	C16     4.0850     3.6760     7.1600	C.3	1	noname	0.4120
26	H1     6.0973     3.8732     0.3778	H	1	noname	0.0417
27	H2     7.6264     2.9624     0.3033	H	1	noname	0.0417
28	H3    10.4428     5.9586     0.7455	H	1	noname	0.1544
29	H4    11.7380     7.7386    -1.0255	H	1	noname	0.0643
30	H5     4.0217     4.5544     2.8640	H	1	noname	0.0281
31	H6     5.3982     5.0435     3.8809	H	1	noname	0.0281
32	H7     5.5555     5.0483     2.1079	H	1	noname	0.0281
33	H8     7.0562     8.4358    -2.5092	H	1	noname	0.0645
34	H9     5.2790     0.2568     4.7527	H	1	noname	0.0666
35	H10    11.1901     9.4315    -2.7314	H	1	noname	0.0623
36	H11     6.8326    -0.5270     3.0068	H	1	noname	0.0840
37	H12     8.8968     9.7717    -3.4596	H	1	noname	0.0623
38	H13     5.6795     2.4011     6.4725	H	1	noname	0.0667
39	H14     5.6626     4.0206     5.7341	H	1	noname	0.0667
@<TRIPOS>BOND
1	1	6	2
2	1	10	1
3	1	12	1
4	2	25	1
5	3	25	1
6	4	25	1
7	5	16	1
8	5	24	1
9	7	12	1
10	7	14	1
11	7	28	1
12	8	12	2
13	8	15	1
14	9	11	2
15	9	22	1
16	10	11	1
17	10	26	1
18	10	27	1
19	11	13	1
20	13	16	2
21	13	18	1
22	14	15	1
23	14	17	2
24	15	19	2
25	16	20	1
26	17	21	1
27	17	29	1
28	18	30	1
29	18	31	1
30	18	32	1
31	19	23	1
32	19	33	1
33	20	22	2
34	20	34	1
35	21	23	2
36	21	35	1
37	22	36	1
38	23	37	1
39	24	25	1
40	24	38	1
41	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1