@<TRIPOS>MOLECULE
DB06892
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     0.5884    -2.7525    -0.8029	I	1	noname	-0.0442
2	C1     1.0759    -0.7614    -0.7917	C.2	1	noname	-0.0091
3	C2     2.2784    -0.3495    -0.1302	C.2	1	noname	0.0260
4	C3     0.2001     0.1679    -1.4467	C.2	1	noname	-0.0289
5	C4     2.5933     1.0446    -0.1062	C.2	1	noname	0.0660
6	C5     0.5254     1.5587    -1.4102	C.2	1	noname	0.0010
7	F1     3.6905     1.4491     0.4641	F	1	noname	-0.1544
8	C6     1.7061     2.0037    -0.7080	C.2	1	noname	0.0486
9	N1     1.9535     3.3240    -0.5594	N.2	1	noname	-0.2021
10	C7     2.1565     4.0117     0.5213	C.2	1	noname	0.0678
11	C8     2.3479     5.3676     0.4037	C.2	1	noname	0.0670
12	C9     2.0202     3.4434     1.8825	C.3	1	noname	0.1938
13	C10     2.9269     5.8713    -0.7191	C.2	1	noname	0.0696
14	C11     1.9641     6.2096     1.3992	C.2	1	noname	0.0143
15	F2     3.2574     3.0909     2.3565	F	1	noname	-0.2326
16	C12     1.3973     4.3949     2.8043	C.2	1	noname	0.0395
17	O1     3.1037     7.1036    -0.8320	O.2	1	noname	-0.2800
18	N2     3.3076     5.0467    -1.7043	N.3	1	noname	0.0198
19	C13     1.3983     5.7128     2.5478	C.2	1	noname	0.0188
20	F3     0.8459     3.9659     3.8661	F	1	noname	-0.1615
21	O2     3.8610     5.5283    -2.7775	O.3	1	noname	-0.3046
22	C14     3.0728     5.1897    -3.9091	C.3	1	noname	0.0920
23	C15     3.7241     5.7565    -5.1723	C.3	1	noname	0.0686
24	O3     2.9359     5.4179    -6.3039	O.3	1	noname	-0.3938
25	H1     2.9369    -1.0781     0.3428	H	1	noname	0.0665
26	H2    -0.6961    -0.1765    -1.9627	H	1	noname	0.0634
27	H3    -0.1227     2.2754    -1.9145	H	1	noname	0.0646
28	H4     1.4309     2.5268     1.8551	H	1	noname	0.0807
29	H5     2.1099     7.2828     1.2764	H	1	noname	0.0632
30	H6     3.1756     4.0477    -1.6369	H	1	noname	0.1647
31	H7     0.9379     6.3818     3.2749	H	1	noname	0.0651
32	H8     3.1055     4.1020    -3.9714	H	1	noname	0.0612
33	H9     2.1202     5.6988    -3.7629	H	1	noname	0.0612
34	H10     3.6914     6.8442    -5.1101	H	1	noname	0.0588
35	H11     4.6767     5.2473    -5.3186	H	1	noname	0.0588
36	H12     2.8817     4.4626    -6.3818	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	8	1
9	8	9	1
10	9	10	2
11	10	11	1
12	10	12	1
13	11	13	1
14	11	14	2
15	12	15	1
16	12	16	1
17	13	17	2
18	13	18	1
19	14	19	1
20	16	20	1
21	16	19	2
22	18	21	1
23	21	22	1
24	22	23	1
25	23	24	1
26	3	25	1
27	4	26	1
28	6	27	1
29	12	28	1
30	14	29	1
31	18	30	1
32	19	31	1
33	22	32	1
34	22	33	1
35	23	34	1
36	23	35	1
37	24	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1