@<TRIPOS>MOLECULE
DB01119
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     3.6286     1.5635     1.1487	Cl	1	noname	-0.0871
2	C1     2.0483     1.3680     0.5917	C.2	1	noname	-0.0105
3	C2     1.4531     0.0739     0.6081	C.2	1	noname	0.0525
4	C3     1.3250     2.5041     0.1097	C.2	1	noname	0.0104
5	C4     0.1264    -0.0454     0.0823	C.2	1	noname	0.0304
6	C5     0.0156     2.3688    -0.4439	C.2	1	noname	-0.0216
7	S1    -0.8373    -1.5289     0.1823	S	1	noname	-0.0252
8	C6    -0.5762     1.0752    -0.4979	C.2	1	noname	0.0522
9	O1    -0.0516    -2.8971    -0.0920	O.2	1	noname	-0.1689
10	O2    -1.5621    -1.5739     1.6189	O.2	1	noname	-0.1689
11	N1    -2.0537    -1.3596    -0.9661	N.2	1	noname	-0.1008
12	N2    -1.7820     0.9230    -1.1636	N.3	1	noname	0.0092
13	C7    -2.3908    -0.2296    -1.4637	C.2	1	noname	0.0177
14	C8    -3.4782    -0.1976    -2.3917	C.3	1	noname	-0.0102
15	H1     1.9896    -0.7877     1.0057	H	1	noname	0.0655
16	H2     1.7808     3.4927     0.1654	H	1	noname	0.0638
17	H3    -0.5234     3.2388    -0.8192	H	1	noname	0.0640
18	H4    -2.2758     1.7505    -1.4660	H	1	noname	0.1354
19	H5    -4.4212    -0.1698    -1.8457	H	1	noname	0.0306
20	H6    -3.3950     0.6903    -3.0185	H	1	noname	0.0306
21	H7    -3.4474    -1.0889    -3.0185	H	1	noname	0.0306
@<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	7	9	2
10	7	10	2
11	7	11	1
12	8	12	1
13	11	13	2
14	12	13	1
15	13	14	1
16	3	15	1
17	4	16	1
18	6	17	1
19	12	18	1
20	14	19	1
21	14	20	1
22	14	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1