@MOLECULE 88485705 17 18 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.0777 3.0643 2.0974 Cl 1 noname -0.1096 2 Cl2 -0.6747 -0.1530 -2.2163 Cl 1 noname -0.1096 3 Cl3 -2.1692 2.0690 -0.1023 Cl 1 noname -0.1181 4 Cl4 3.1171 2.3930 0.3186 Cl 1 noname -0.1188 5 Cl5 2.6533 0.8880 -1.9061 Cl 1 noname -0.1188 6 Cl6 0.4221 4.7874 -0.6029 Cl 1 noname -0.0710 7 Cl7 -0.0656 2.7843 -3.2320 Cl 1 noname -0.0710 8 C1 0.4199 2.2594 0.5710 C.3 1 noname 0.1174 9 C2 0.0689 0.9932 -1.1116 C.3 1 noname 0.1174 10 C3 -0.6514 1.2394 0.2060 C.3 1 noname 0.0850 11 C4 1.7083 1.3764 0.5813 C.3 1 noname 0.0778 12 C5 1.4703 0.4878 -0.6702 C.3 1 noname 0.0778 13 C6 0.3126 3.1341 -0.5901 C.2 1 noname 0.0439 14 C7 0.1072 2.3319 -1.6473 C.2 1 noname 0.0439 15 H1 -0.7562 0.3829 0.8720 H 1 noname 0.0517 16 H2 1.7058 0.7848 1.4968 H 1 noname 0.0510 17 H3 1.4236 -0.5637 -0.3868 H 1 noname 0.0510 @BOND 1 8 1 1 2 9 2 1 3 3 10 1 4 11 4 1 5 12 5 1 6 6 13 1 7 7 14 1 8 8 10 1 9 8 11 1 10 8 13 1 11 9 10 1 12 9 12 1 13 9 14 1 14 10 15 1 15 11 12 1 16 11 16 1 17 12 17 1 18 13 14 2 @SUBSTRUCTURE 1 noname 1