20080179 -OEChem-03282405353D 24 26 0 1 0 0 0 0 0999 V2000 2.0102 2.0475 -1.5177 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0964 -1.1669 -0.4665 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0694 1.1374 2.0361 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3944 2.7590 -0.2457 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8189 -2.1816 1.2936 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -2.5539 -1.4289 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5393 0.3955 -2.3081 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.6999 -0.1769 -0.4883 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 1.0590 1.0091 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5391 -1.1644 0.5469 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7911 -0.2319 1.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0453 0.5803 0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1425 -0.7257 0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4164 1.0002 -0.1443 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4389 -0.5154 -0.5358 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3320 1.1076 0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1394 -1.3462 -0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9187 -0.0237 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3772 1.9611 1.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6703 -2.2291 0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 -0.2221 2.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1502 -0.4582 2.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 1.3348 0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.7061 -1.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 M END > 20080179 > 0.6 > 1 4 2 3 > 17 1 -0.29 10 0.14 12 -0.28 13 -0.28 14 0.29 15 0.29 16 0.72 17 0.72 18 0.58 2 -0.29 3 -0.29 4 -0.29 5 -0.29 6 -0.29 7 -0.29 8 -0.29 9 0.14 > 1.2 > 2 5 12 13 16 17 18 rings 7 9 10 11 12 13 14 15 rings > 18 > 0 > 4 > 0 > 0 > 0 > 1 > 1 > 0132663300000001 > 81.8372 > 10.208 > 10863032 1 18117571827356414885 12423570 1 14094478052911067586 12808571 1 18338533966151502928 13024252 1 13912331170142316619 13140716 1 18335977687558435690 13299463 15 18120371218431331492 14115302 16 18343017826198839006 144361 1 18335136505312715964 14817 1 15910555092406341491 16752209 62 18201425940357916237 16945 1 18115888342021053914 18186145 218 18188193348019300661 18981168 100 18113622330313859124 19765921 60 17679861797521392708 19868273 325 18123460837499649199 20645476 183 17968089815873098595 22802520 49 18341902930166909714 2334 1 18120089751981297498 23402539 116 17845920871070500239 23419403 2 16454296783811770391 23493267 7 18187081737384470195 23557571 272 17914048969918259562 23559900 14 17559673933457332854 2748010 2 18196078074244893819 3286 77 17203602683894134475 5084963 1 18271239413656727625 5845 1 10881978112052797643 74978 22 18114179735453692074 81228 2 18270950362505380667 90525 40 18266745675253098196 > 385.39 4.78 2.56 1.86 2.13 0.1 -0.11 -0.62 -0.61 -0.63 -0.43 -0.6 0.14 -0.34 > 767.046 > 230.6 > 2 5 10 $$$$