@<TRIPOS>MOLECULE
59026791
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     4.2166    -3.9571    -3.0213	I	1	noname	-0.0442
2	F1     5.9615     0.3468    -0.4207	F	1	noname	-0.1617
3	O1     1.2270     2.8588    -2.5757	O.3	1	noname	-0.2180
4	O2     3.1688     3.0037    -1.4438	O.2	1	noname	-0.2581
5	N1     3.4912     1.1716     0.3311	N.3	1	noname	0.0053
6	N2     0.2091     1.0439     1.9424	N.2	1	noname	-0.2327
7	C1     2.1877     1.3662     0.5735	C.2	1	noname	0.0531
8	C2     3.6487     0.0578    -0.3970	C.2	1	noname	0.0204
9	C3     1.3761     2.1326    -0.3214	C.2	1	noname	0.0129
10	C4     4.9224    -0.3515    -0.7744	C.2	1	noname	0.0247
11	C5     2.5385    -0.6884    -0.7749	C.2	1	noname	-0.0364
12	C6     1.5599     0.8124     1.7397	C.2	1	noname	0.0125
13	C7    -0.0175     2.3561    -0.0873	C.2	1	noname	0.0249
14	C8     5.0858    -1.5070    -1.5296	C.2	1	noname	0.0121
15	C9     2.7019    -1.8438    -1.5301	C.2	1	noname	-0.0414
16	C10     3.9756    -2.2531    -1.9075	C.2	1	noname	-0.0348
17	C11    -0.5992     1.7816     1.0927	C.2	1	noname	-0.0115
18	C12     1.9618     2.6789    -1.4575	C.2	1	noname	0.0890
19	H1     3.9660     1.0783     1.1717	H	1	noname	0.1343
20	H2     1.6039    -0.3880    -0.4979	H	1	noname	0.0640
21	H3     2.0981     0.2590     2.4064	H	1	noname	0.0856
22	H4    -0.5794     2.9056    -0.7375	H	1	noname	0.0647
23	H5     6.0204    -1.8073    -1.8065	H	1	noname	0.0665
24	H6     1.8872    -2.3913    -1.8074	H	1	noname	0.0634
25	H7    -1.5888     1.9139     1.3016	H	1	noname	0.0839
26	H8     1.6551     2.8122    -3.4560	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	16	1
2	2	10	1
3	3	18	1
4	3	26	1
5	4	18	2
6	5	7	1
7	5	8	1
8	5	19	1
9	6	12	2
10	6	17	1
11	7	9	2
12	7	12	1
13	8	10	2
14	8	11	1
15	9	13	1
16	9	18	1
17	10	14	1
18	11	15	2
19	11	20	1
20	12	21	1
21	13	17	2
22	13	22	1
23	14	16	2
24	14	23	1
25	15	16	1
26	15	24	1
27	17	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1