@MOLECULE 76957694 20 20 1 SMALL USER_CHARGES @ATOM 1 Cl1 -2.4119 0.4645 0.6986 Cl 1 noname -0.0617 2 Cl2 2.1286 2.0815 2.9731 Cl 1 noname -0.0617 3 Cl3 -0.9305 1.7624 3.0627 Cl 1 noname -0.0586 4 O1 3.3713 1.0677 0.5293 O.3 1 noname -0.2670 5 O2 -0.6719 -0.3723 -1.4961 O.3 1 noname -0.2670 6 C1 2.0291 0.9277 0.5686 C.2 1 noname 0.0461 7 C2 -0.0220 0.1972 -0.4589 C.2 1 noname 0.0461 8 C3 1.3600 0.3413 -0.4994 C.2 1 noname 0.0150 9 C4 -0.7347 0.6394 0.6495 C.2 1 noname 0.0367 10 C5 1.3164 1.3699 1.6770 C.2 1 noname 0.0367 11 C6 -0.0655 1.2258 1.7175 C.2 1 noname 0.0619 12 C7 3.6997 2.3193 -0.0556 C.3 1 noname 0.0424 13 C8 -1.0419 0.6305 -2.4309 C.3 1 noname 0.0424 14 H1 1.8830 0.0169 -1.3127 H 1 noname 0.0678 15 H2 4.7834 2.4323 -0.0874 H 1 noname 0.0535 16 H3 3.2678 3.1233 0.5402 H 1 noname 0.0535 17 H4 3.3000 2.3629 -1.0688 H 1 noname 0.0535 18 H5 -1.5667 0.1707 -3.2684 H 1 noname 0.0535 19 H6 -1.6959 1.3555 -1.9463 H 1 noname 0.0535 20 H7 -0.1472 1.1351 -2.7957 H 1 noname 0.0535 @BOND 1 1 9 1 2 2 10 1 3 3 11 1 4 4 6 1 5 4 12 1 6 5 7 1 7 5 13 1 8 6 8 2 9 6 10 1 10 7 8 1 11 7 9 2 12 8 14 1 13 9 11 1 14 10 11 2 15 12 15 1 16 12 16 1 17 12 17 1 18 13 18 1 19 13 19 1 20 13 20 1 @SUBSTRUCTURE 1 noname 1