@<TRIPOS>MOLECULE
DB00793
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1    -4.7040    -4.1879     1.1020	I	1	noname	0.0182
2	C1    -3.4767    -2.7019     0.7918	C.1	1	noname	-0.0402
3	C2    -2.7260    -1.7930     0.6021	C.1	1	noname	-0.0504
4	C3    -1.8697    -0.7563     0.3857	C.3	1	noname	0.1149
5	O1    -0.7192    -1.2278    -0.3001	O.3	1	noname	-0.2571
6	C4     0.1295    -0.2002    -0.5146	C.2	1	noname	0.0421
7	C5     1.1033     0.1055     0.4290	C.2	1	noname	0.0265
8	C6     0.0297     0.5523    -1.6791	C.2	1	noname	0.0206
9	Cl1     1.2245    -0.8077     1.8423	Cl	1	noname	-0.0688
10	C7     1.9773     1.1636     0.2082	C.2	1	noname	0.0214
11	C8     0.9036     1.6104    -1.8999	C.2	1	noname	0.0287
12	C9     1.8774     1.9160    -0.9563	C.2	1	noname	0.0149
13	Cl2     0.7824     2.5236    -3.3132	Cl	1	noname	-0.0711
14	Cl3     2.9381     3.2002    -1.2243	Cl	1	noname	-0.0745
15	H1    -2.3904    -0.0695    -0.2816	H	1	noname	0.0713
16	H2    -1.5485    -0.4198     1.3715	H	1	noname	0.0713
17	H3    -0.7339     0.3126    -2.4190	H	1	noname	0.0666
18	H4     2.7409     1.4033     0.9481	H	1	noname	0.0655
@<TRIPOS>BOND
1	1	2	1
2	2	3	3
3	3	4	1
4	4	5	1
5	5	6	1
6	6	7	2
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	2
11	10	12	2
12	11	13	1
13	11	12	1
14	12	14	1
15	4	15	1
16	4	16	1
17	8	17	1
18	10	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1