@MOLECULE 95858503 21 20 1 SMALL USER_CHARGES @ATOM 1 Cl1 3.4896 -1.7454 0.2116 Cl 1 noname -0.1191 2 Cl2 -2.6873 2.7979 0.7467 Cl 1 noname -0.1191 3 Cl3 1.9135 -3.6554 -1.7655 Cl 1 noname -0.1249 4 Cl4 -3.0230 2.7125 -2.4031 Cl 1 noname -0.1249 5 O1 0.0890 0.2005 -0.3579 O.3 1 noname -0.3781 6 C1 1.2899 -0.2040 0.2831 C.3 1 noname 0.0643 7 C2 -0.5736 1.1667 0.4445 C.3 1 noname 0.0643 8 C3 2.0038 -1.2450 -0.5814 C.3 1 noname 0.0705 9 C4 -1.8674 1.6024 -0.2461 C.3 1 noname 0.0705 10 C5 1.0936 -2.4599 -0.7727 C.3 1 noname 0.0410 11 C6 -1.5372 2.2120 -1.6100 C.3 1 noname 0.0410 12 H1 1.0546 -0.6383 1.2548 H 1 noname 0.0582 13 H2 1.9383 0.6615 0.4194 H 1 noname 0.0582 14 H3 -0.8088 0.7324 1.4162 H 1 noname 0.0582 15 H4 0.0749 2.0322 0.5808 H 1 noname 0.0582 16 H5 2.2391 -0.8107 -1.5531 H 1 noname 0.0508 17 H6 -2.5158 0.7369 -0.3823 H 1 noname 0.0508 18 H7 0.1719 -2.1494 -1.2647 H 1 noname 0.0451 19 H8 0.8584 -2.8942 0.1990 H 1 noname 0.0451 20 H9 -1.0286 1.4704 -2.2259 H 1 noname 0.0451 21 H10 -0.8888 3.0775 -1.4737 H 1 noname 0.0451 @BOND 1 8 1 1 2 9 2 1 3 3 10 1 4 4 11 1 5 5 6 1 6 5 7 1 7 6 8 1 8 6 12 1 9 6 13 1 10 7 9 1 11 7 14 1 12 7 15 1 13 8 10 1 14 8 16 1 15 9 11 1 16 9 17 1 17 10 18 1 18 10 19 1 19 11 20 1 20 11 21 1 @SUBSTRUCTURE 1 noname 1