@MOLECULE 95858501 21 20 1 SMALL USER_CHARGES @ATOM 1 Cl1 3.6446 -1.4646 -0.3291 Cl 1 noname -0.1191 2 Cl2 -2.5553 3.0370 0.2863 Cl 1 noname -0.1191 3 Cl3 1.8421 -3.7847 -1.5165 Cl 1 noname -0.1249 4 Cl4 -4.1668 0.6396 1.5888 Cl 1 noname -0.1249 5 O1 -0.0128 0.0160 -0.0026 O.3 1 noname -0.3781 6 C1 1.4030 0.0010 -0.1116 C.3 1 noname 0.0643 7 C2 -0.4674 1.3591 0.0740 C.3 1 noname 0.0643 8 C3 1.8928 -1.4461 -0.1942 C.3 1 noname 0.0705 9 C4 -1.9928 1.3752 0.1915 C.3 1 noname 0.0705 10 C5 1.2796 -2.1229 -1.4217 C.3 1 noname 0.0410 11 C6 -2.4151 0.6210 1.4539 C.3 1 noname 0.0410 12 H1 1.7038 0.5383 -1.0110 H 1 noname 0.0582 13 H2 1.8399 0.4831 0.7629 H 1 noname 0.0582 14 H3 -0.1665 1.8964 -0.8254 H 1 noname 0.0582 15 H4 -0.0305 1.8412 0.9485 H 1 noname 0.0582 16 H5 1.5920 -1.9834 0.7052 H 1 noname 0.0508 17 H6 -2.4297 0.8931 -0.6830 H 1 noname 0.0508 18 H7 0.1929 -2.1114 -1.3380 H 1 noname 0.0451 19 H8 1.5805 -1.5856 -2.3211 H 1 noname 0.0451 20 H9 -2.0661 -0.4099 1.3951 H 1 noname 0.0451 21 H10 -1.9782 1.1032 2.3285 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