@<TRIPOS>MOLECULE
91668179
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -1.2366     1.8293    -0.5313	Cl	1	noname	-0.0688
2	Cl2     1.4811    -2.3965    -4.0849	Cl	1	noname	-0.0711
3	Cl3     0.8470     0.3918    -5.2213	Cl	1	noname	-0.0744
4	O1    -0.5231    -0.8850     0.2860	O.3	1	noname	-0.2567
5	O2    -2.2091    -0.7874     2.7182	O.3	1	noname	-0.2104
6	O3    -2.4780    -2.9365     2.1002	O.2	1	noname	-0.2450
7	C1    -1.8355    -1.4250     0.3343	C.3	1	noname	0.1467
8	C2    -0.2051    -0.5887    -0.9921	C.2	1	noname	0.0420
9	C3    -1.8925    -2.6387    -0.4753	C.3	1	noname	-0.0284
10	C4    -0.4916     0.6709    -1.5055	C.2	1	noname	0.0265
11	C5     0.4087    -1.5432    -1.7948	C.2	1	noname	0.0206
12	C6    -2.1958    -1.7608     1.7828	C.2	1	noname	0.1502
13	C7     0.7361    -1.2381    -3.1108	C.2	1	noname	0.0287
14	C8    -0.1642     0.9760    -2.8215	C.2	1	noname	0.0214
15	C9     0.4496     0.0215    -3.6241	C.2	1	noname	0.0150
16	H1    -2.5437    -0.6942    -0.0562	H	1	noname	0.0715
17	H2    -2.8999    -3.0532    -0.4382	H	1	noname	0.0262
18	H3    -1.6358    -2.3994    -1.5073	H	1	noname	0.0262
19	H4    -1.1843    -3.3695    -0.0848	H	1	noname	0.0262
20	H5     0.6189    -2.4675    -1.4181	H	1	noname	0.0666
21	H6    -0.3744     1.9002    -3.1982	H	1	noname	0.0655
22	H7    -2.0006    -1.0018     3.6514	H	1	noname	0.2214
@<TRIPOS>BOND
1	1	10	1
2	2	13	1
3	3	15	1
4	4	7	1
5	4	8	1
6	5	12	1
7	5	22	1
8	6	12	2
9	7	9	1
10	7	12	1
11	7	16	1
12	8	10	1
13	8	11	2
14	9	17	1
15	9	18	1
16	9	19	1
17	10	14	2
18	11	13	1
19	11	20	1
20	13	15	2
21	14	15	1
22	14	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1