@<TRIPOS>MOLECULE
DB02991
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.4072    -2.1896    -2.7085	S.3	1	noname	-0.0811
2	C1    -1.0537    -1.4169    -2.0295	C.2	1	noname	-0.0401
3	C2    -3.9006    -1.6229    -1.8786	C.3	1	noname	-0.0024
4	N1    -1.1675    -0.2452    -1.5399	N.2	1	noname	-0.2274
5	N2     0.1062    -2.0254    -2.0094	N.3	1	noname	-0.1221
6	C3    -5.1188    -2.3183    -2.4896	C.3	1	noname	-0.0557
7	C4    -0.1285     0.3479    -1.0187	C.2	1	noname	0.0025
8	C5    -0.2956     1.2592     0.0176	C.2	1	noname	-0.0075
9	C6     1.1453     0.0684    -1.4997	C.2	1	noname	-0.0075
10	C7     0.8111     1.8910     0.5727	C.2	1	noname	-0.0136
11	C8     2.2520     0.7001    -0.9446	C.2	1	noname	-0.0136
12	C9     2.0849     1.6114     0.0916	C.2	1	noname	-0.0045
13	C10     3.2473     2.2750     0.6747	C.3	1	noname	0.4161
14	F1     3.7261     1.5252     1.7179	F	1	noname	-0.1661
15	F2     2.8838     3.5152     1.1324	F	1	noname	-0.1661
16	F3     4.2237     2.4078    -0.2786	F	1	noname	-0.1661
17	H1    -3.8942    -1.9668    -0.8442	H	1	noname	0.0382
18	H2    -4.0620    -0.5682    -2.1013	H	1	noname	0.0382
19	H3     0.1470    -3.0346    -2.0017	H	1	noname	0.1263
20	H4     0.9597    -1.4854    -2.0017	H	1	noname	0.1263
21	H5    -5.7645    -2.6869    -1.6926	H	1	noname	0.0239
22	H6    -5.6711    -1.6088    -3.1058	H	1	noname	0.0239
23	H7    -4.7886    -3.1546    -3.1058	H	1	noname	0.0239
24	H8    -1.2945     1.4784     0.3948	H	1	noname	0.0645
25	H9     1.2763    -0.6462    -2.3123	H	1	noname	0.0645
26	H10     0.6801     2.6056     1.3853	H	1	noname	0.0629
27	H11     3.2509     0.4809    -1.3218	H	1	noname	0.0629
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	4	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	9	11	2
11	10	12	2
12	11	12	1
13	12	13	1
14	13	14	1
15	13	15	1
16	13	16	1
17	3	17	1
18	3	18	1
19	5	19	1
20	5	20	1
21	6	21	1
22	6	22	1
23	6	23	1
24	8	24	1
25	9	25	1
26	10	26	1
27	11	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1