@<TRIPOS>MOLECULE
86735780
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.2619     2.8215     3.2931	Cl	1	noname	-0.0610
2	Cl2     2.8170     3.3779     3.5766	Cl	1	noname	-0.0587
3	O1    -2.0367     1.6607     1.2123	O.2	1	noname	-0.2919
4	O2     4.3920     2.8488     1.1562	O.3	1	noname	-0.2566
5	O3     7.3103     0.9720     2.1830	O.3	1	noname	-0.2113
6	O4     6.9281     3.0860     1.5064	O.2	1	noname	-0.2461
7	C1    -0.9806     1.2259    -1.0248	C.3	1	noname	0.0598
8	C2     0.4830     1.3212    -1.4990	C.3	1	noname	-0.0102
9	C3     1.1933     1.8371    -0.3317	C.2	1	noname	0.0065
10	C4    -1.0428     1.6497     0.4543	C.2	1	noname	0.1079
11	C5     0.3293     2.0353     0.7636	C.2	1	noname	0.0118
12	C6    -1.5671    -0.1796    -1.2502	C.2	1	noname	-0.0489
13	C7    -1.8025     2.2391    -1.8189	C.3	1	noname	-0.0479
14	C8     2.5825     2.1216    -0.2453	C.2	1	noname	-0.0038
15	C9     0.7925     2.5429     2.0060	C.2	1	noname	0.0647
16	C10    -0.9825    -1.2828    -0.6394	C.2	1	noname	-0.0533
17	C11    -2.6814    -0.3453    -2.0644	C.2	1	noname	-0.0533
18	C12     3.0737     2.5961     1.0118	C.2	1	noname	0.0562
19	C13     2.1935     2.8072     2.1166	C.2	1	noname	0.0550
20	C14    -1.5121    -2.5518    -0.8428	C.2	1	noname	-0.0595
21	C15    -3.2110    -1.6142    -2.2679	C.2	1	noname	-0.0595
22	C16    -2.6263    -2.7175    -1.6571	C.2	1	noname	-0.0614
23	C17     5.0524     1.6749     1.6060	C.3	1	noname	0.1390
24	C18     6.4781     1.9482     1.7622	C.2	1	noname	0.1487
25	H1     0.5545     2.0404    -2.3150	H	1	noname	0.0330
26	H2     0.9311     0.3747    -1.8015	H	1	noname	0.0330
27	H3    -2.8440     2.1909    -1.5010	H	1	noname	0.0244
28	H4    -1.7360     2.0076    -2.8819	H	1	noname	0.0244
29	H5    -1.4142     3.2418    -1.6403	H	1	noname	0.0244
30	H6     3.2027     1.9931    -1.0448	H	1	noname	0.0653
31	H7    -0.1648    -1.1612    -0.0419	H	1	noname	0.0625
32	H8    -3.1105     0.4643    -2.5127	H	1	noname	0.0625
33	H9    -1.0830    -3.3614    -0.3946	H	1	noname	0.0622
34	H10    -4.0287    -1.7358    -2.8654	H	1	noname	0.0622
35	H11    -3.0150    -3.6487    -1.8064	H	1	noname	0.0622
36	H12     4.6342     1.3674     2.5644	H	1	noname	0.0682
37	H13     4.9132     0.8774     0.8761	H	1	noname	0.0682
38	H14     8.1130     1.2002     2.6968	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	15	1
2	2	19	1
3	3	10	2
4	4	18	1
5	4	23	1
6	5	24	1
7	5	38	1
8	6	24	2
9	7	8	1
10	7	10	1
11	7	12	1
12	7	13	1
13	8	9	1
14	8	25	1
15	8	26	1
16	9	11	1
17	9	14	2
18	10	11	1
19	11	15	2
20	12	16	2
21	12	17	1
22	13	27	1
23	13	28	1
24	13	29	1
25	14	18	1
26	14	30	1
27	15	19	1
28	16	20	1
29	16	31	1
30	17	21	2
31	17	32	1
32	18	19	2
33	20	22	2
34	20	33	1
35	21	22	1
36	21	34	1
37	22	35	1
38	23	24	1
39	23	36	1
40	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1