81124 -OEChem-03292407103D 30 32 0 0 0 0 0 0 0999 V2000 -0.7690 2.4791 -0.0836 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4086 -2.7912 0.5187 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4573 0.9830 0.4328 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2621 0.6641 -0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4392 -0.7108 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2389 0.3740 0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9194 1.2695 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -1.5806 0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0424 -0.9421 0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3672 1.4813 -0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7172 -1.2712 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7168 0.4575 0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6404 0.9204 -0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8151 -0.4529 -0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8559 0.8983 0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8534 -0.5162 -0.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1114 0.3739 0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 -1.0405 -1.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 -0.5955 -0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8575 -1.6198 0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4463 1.9558 0.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2584 2.5551 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8773 -2.3394 0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4967 1.5557 -0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8072 -0.8869 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7717 1.6529 1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0022 -0.8642 -1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 0.7205 1.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2089 -1.7900 -1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2158 -1.0026 -0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 8 2 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 10 2 0 0 0 0 5 8 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 8 9 1 0 0 0 0 9 20 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 M END > 81124 > 0.6 > 2 5 8 7 6 1 3 4 > 30 1 -0.57 10 -0.15 11 -0.15 12 0.1 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.57 20 0.15 21 0.4 22 0.15 23 0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.6 30 0.15 4 0.09 5 0.09 6 0.11 7 0.47 8 0.47 9 -0.14 > 2 > 7 1 1 acceptor 1 2 acceptor 1 3 cation 1 3 donor 6 12 15 16 17 18 19 rings 6 4 5 10 11 13 14 rings 6 4 5 6 7 8 9 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 00013CE400000002 > 66.8352 > 35.542 > 10 15 18130773600397039888 10366900 7 17846503638688905432 11315181 36 17989491827325191984 11458722 379 18408324367413475259 12236239 1 17167859764377975848 12916748 109 18335140890669523585 13402501 40 18272089392359400918 13533116 47 14045749188501683006 13544592 145 18342179951362865102 13862211 1 18408597085115516723 14115302 16 18187372059893427860 14386348 63 18273217508405999678 14573314 32 18413389821740508156 14790565 3 17764596417515790009 15042514 8 18190747634043695747 15099037 51 18408885148392399461 15196674 1 18411699897969582400 15375358 24 18272088314227657454 15961568 22 18114742763308466820 16752209 62 18260823778524302792 17804303 29 18409448128500457561 17870717 6 18341625792827729975 19141452 34 17988363766823225463 200 152 16917067746103578688 20279233 1 18272375282541360182 20374829 77 18412824685490542390 20510252 161 18342737382030480633 20645476 183 17313106371230444451 20645477 56 18408602590920549360 20645477 70 17561087973660235366 21029758 11 18272086115025404849 21267235 1 18408890667873871707 21279426 13 18268430122650571175 21637258 2 15913031150238233399 22122407 14 15068915109464036389 2215653 11 18201999910870423740 23175994 123 17632861940404903561 23402539 116 18411974767323560877 23536379 177 16773798074222478329 23557571 272 18413392042518415120 23559900 14 18413108364587264108 2748010 2 17758955218642987171 2838139 119 15864610809887714535 2871803 45 18412829058358210390 3004659 81 18261114020531954414 335352 9 18409447012304696629 351380 180 18343018887377507878 3759504 43 17385728006322893571 4028521 119 18409164385559260725 4214541 1 18412263926055019920 4990 188 18342739594017271726 5104073 3 18342739598465266170 5283173 99 18341047424116276128 542803 24 16950285105007355908 559249 180 18187639151341545666 59755656 215 18408318887626380695 69090 78 18273493481213275038 9709674 26 18341613780057429662 > 374.29 10.93 1.95 0.85 6 0.29 0.08 0.27 1.63 -1.29 -0.15 0.58 0.1 0.99 > 831.701 > 197.5 > 2 5 10 $$$$