@<TRIPOS>MOLECULE
DB04795
19 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.5441    -1.8912     0.5231	S.3	1	noname	-0.1887
2	C1     0.9176    -1.0032     0.9798	C.2	1	noname	0.0473
3	C2    -1.8197    -1.1052     1.4608	C.2	1	noname	0.0304
4	C3     2.2323    -1.1729     0.5616	C.2	1	noname	0.1224
5	C4     0.3733    -0.0821     1.8814	C.2	1	noname	0.0096
6	C5    -1.0231    -0.1485     2.1145	C.2	1	noname	-0.0156
7	O1     3.1318    -0.4301     1.0107	O.2	1	noname	-0.2879
8	C6     2.5626    -2.2186    -0.4023	C.3	1	noname	0.0800
9	C7     2.8871    -3.4514     0.3093	C.2	1	noname	0.2127
10	O2     2.2119    -4.4843     0.1101	O.2	1	noname	-0.2581
11	C8     4.0003    -3.4778     1.2537	C.3	1	noname	0.4501
12	F1     3.5355    -3.8150     2.4986	F	1	noname	-0.1633
13	F2     4.9247    -4.4040     0.8447	F	1	noname	-0.1633
14	F3     4.5859    -2.2392     1.3045	F	1	noname	-0.1633
15	H1    -2.8961    -1.1939     1.6083	H	1	noname	0.0739
16	H2     1.0071     0.6522     2.3785	H	1	noname	0.0638
17	H3    -1.4925     0.5485     2.8087	H	1	noname	0.0631
18	H4     1.6567    -2.4154    -0.9757	H	1	noname	0.0435
19	H5     3.4721    -1.9008    -0.9120	H	1	noname	0.0435
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	4	7	2
7	4	8	1
8	5	6	1
9	8	9	1
10	9	10	2
11	9	11	1
12	11	12	1
13	11	13	1
14	11	14	1
15	3	15	1
16	5	16	1
17	6	17	1
18	8	18	1
19	8	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1