@<TRIPOS>MOLECULE
DB01144
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.8065    -1.4567    -0.0243	Cl	1	noname	-0.0493
2	C1    -0.0086     0.0295    -0.0007	C.2	1	noname	0.1077
3	C2     1.3807     0.0723     0.0077	C.2	1	noname	0.0626
4	C3    -0.7404     1.2112     0.0103	C.2	1	noname	0.0789
5	Cl2     2.2689    -1.3619    -0.0057	Cl	1	noname	-0.0676
6	C4     2.0382     1.2968     0.0271	C.2	1	noname	0.0767
7	S1    -2.4695     1.1579    -0.0002	S	1	noname	-0.1094
8	C5    -0.0829     2.4357     0.0297	C.2	1	noname	0.0894
9	C6     1.3064     2.4785     0.0381	C.2	1	noname	0.0508
10	O1    -2.9908     1.1608    -1.5024	O.2	1	noname	-0.1978
11	O2    -3.0436     2.4295     0.7624	O.2	1	noname	-0.1978
12	N1    -3.0076    -0.2837     0.7948	N.3	1	noname	-0.0092
13	S2     2.1247     4.0025     0.0623	S	1	noname	-0.1183
14	O3     1.0547     5.1786     0.0713	O.2	1	noname	-0.1994
15	O4     3.0284     4.0982     1.3670	O.2	1	noname	-0.1994
16	N2     3.1252     4.1430    -1.3445	N.3	1	noname	-0.0105
17	H1     3.1277     1.3304     0.0337	H	1	noname	0.0655
18	H2    -0.6568     3.3623     0.0383	H	1	noname	0.0656
19	H3    -3.9839    -0.3983     1.0266	H	1	noname	0.1404
20	H4    -2.3450    -1.0099     1.0266	H	1	noname	0.1404
21	H5     2.7041     4.1840    -2.2616	H	1	noname	0.1404
22	H6     4.1297     4.1840    -1.2478	H	1	noname	0.1404
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	2
8	6	9	2
9	7	10	2
10	7	11	2
11	7	12	1
12	8	9	1
13	9	13	1
14	13	14	2
15	13	15	2
16	13	16	1
17	6	17	1
18	8	18	1
19	12	19	1
20	12	20	1
21	16	21	1
22	16	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1