12303031 -OEChem-03292409433D 24 26 0 1 0 0 0 0 0999 V2000 0.5135 -2.8987 0.3167 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1881 2.2524 -0.7409 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4624 -1.0311 -1.8917 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0857 -0.6717 0.8920 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8342 -1.8719 -0.0642 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 1.2305 0.8449 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -0.9206 2.7175 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4519 2.2711 2.0555 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5113 -0.7385 -1.1294 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0338 0.7234 -1.4156 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4055 -1.1654 0.0688 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1045 0.9288 -0.3614 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7669 -0.4877 -0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0406 -0.6600 -1.0779 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2663 1.6344 -1.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4437 0.8023 -0.8354 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0853 -0.3226 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5001 0.9252 1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2611 -1.3706 -1.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3844 0.7798 -2.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3866 -0.8942 -2.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0916 2.5609 -0.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5028 1.9401 -2.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3485 1.0389 -1.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 17 18 2 0 0 0 0 M END > 12303031 > 0.6 > 1 2 > 13 1 -0.29 11 0.43 12 0.43 13 0.58 14 0.29 16 0.29 2 -0.29 3 -0.29 4 -0.29 5 -0.29 6 -0.29 7 -0.14 8 -0.14 > 0.8 > 2 5 9 10 14 15 16 rings 7 9 10 11 12 13 17 18 rings > 18 > 6 > 0 > 0 > 0 > 0 > 1 > 1 > 00BBBAB700000001 > 88.6922 > 10.297 > 10702982 57 16550330912552098252 10863032 1 18130522914975471013 10948715 1 18337685229290762949 12423570 1 13893258096517107762 12491281 212 18189343518274993756 13024252 1 13851292589454005262 13140716 1 18335415781419333853 144361 1 17250615851151093633 14817 1 10006775888664502561 16945 1 18263081015835156645 21501502 16 18335700597759151660 22344851 341 18411982451099187542 2334 1 18189893295726975981 23419403 2 16331345016885117880 2748010 2 18189319333561797343 3286 77 18128805529257456003 5084963 1 18190437506680114157 568465 68 18336839618875564387 5845 1 8571278564331914402 > 385.39 3.7 2.59 2.17 0.5 0.18 0.96 0.21 -0.69 -0.19 0.36 -0.08 -0.25 0.1 > 767.998 > 224.6 > 2 5 10 $$$$