8554 -OEChem-03282407493D 24 24 0 0 0 0 0 0 0999 V2000 2.1516 -0.6114 0.9395 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2187 -1.4775 0.4119 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1521 -0.4593 -1.3481 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3606 -1.8922 -0.8655 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5529 0.7763 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7628 0.3133 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8135 2.1405 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8181 1.2146 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2418 3.0418 0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5576 2.5787 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6766 -0.1400 -0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 -1.1055 -0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2576 -1.5185 0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5777 -2.8608 0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8345 2.5135 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 0.8861 0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0392 4.1041 0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 3.2812 0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1186 -1.0296 0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 -2.4169 0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5256 -1.8066 1.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7966 -3.4838 0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7472 -3.1396 -0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5061 -3.0079 0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 M END > 8554 > 0.6 > 1 9 2 8 7 3 4 6 5 > 18 1 -0.43 10 -0.15 11 0.63 12 0.63 13 0.28 14 0.28 15 0.15 16 0.15 17 0.15 18 0.15 2 -0.43 3 -0.57 4 -0.57 5 0.09 6 0.09 7 -0.15 8 -0.15 9 -0.15 > 4 > 3 1 3 acceptor 1 4 acceptor 6 5 6 7 8 9 10 rings > 14 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000216A00000001 > 47.589 > 15.225 > 1 1 17114096664746177604 10980938 120 17548142585552606923 11680986 33 18267568264606816841 12423570 1 13946131716627444700 13538477 17 18188497865347848150 14817 1 13668177904334362326 15279308 132 17621321230400354438 15502708 68 17258777551865695609 161256 15 17979929520226360021 16945 1 18266748973714323341 19021347 4 17906449922587999499 193761 8 18339079418577446029 20510252 161 17911511004818296824 20645476 183 17826818952661345852 20645477 70 17621323867700737223 20871998 184 18272081661107077206 20871998 22 18197509621267705390 21650355 55 18264750117747010570 2334 1 18268151053198521765 23402539 116 18054203480645215165 23559900 14 17840591389005984790 257057 1 18266164192473778483 2748010 2 18341611576718237901 3071541 236 18192143794007249515 43471831 8 17471851403253311051 528862 383 17620194673221077719 54173680 148 18337952294525452090 58807428 26 17473819528945659227 7364860 26 17550965014430971559 81228 2 18341892944288825233 > 264.64 3.64 3.57 0.87 0.82 4.43 0.09 -2.73 -0.76 0.31 -0.41 0.48 -0.14 0.18 > 552.853 > 150.9 > 2 5 10 $$$$