45906746 -OEChem-03292410443D 34 36 0 0 0 0 0 0 0999 V2000 1.8136 -0.0803 1.6160 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2165 -1.5132 -1.6467 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8417 2.8611 1.6160 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -4.2805 0.3929 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3766 -3.2893 -1.3105 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8149 0.1114 -0.7543 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0785 -1.6875 0.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7641 -0.5791 0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5675 -3.0353 0.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4098 1.1811 0.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 1.1247 -0.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -1.6629 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2646 -0.4668 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3872 2.1504 0.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 2.0734 -1.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 -0.4466 -0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1719 0.6508 1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7014 3.0775 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0629 3.0414 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4968 -3.5183 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9308 1.7884 0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8751 0.6911 -1.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7823 1.8085 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1285 -2.9258 1.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1823 -3.8188 1.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0356 -2.5698 0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8898 2.1846 1.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5981 2.0544 -2.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5261 0.6534 1.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4550 3.8362 0.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3203 3.7707 -2.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5379 0.7065 -1.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3729 2.6944 -0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1037 -4.6063 -0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 16 1 0 0 0 0 3 21 1 0 0 0 0 4 20 1 0 0 0 0 4 34 1 0 0 0 0 5 20 2 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 9 20 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 27 1 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 16 22 1 0 0 0 0 17 21 2 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 M END > 45906746 > 0.8 > 1 46 27 30 32 31 39 45 6 10 15 26 47 11 17 8 41 38 22 28 14 40 9 33 23 13 48 19 2 20 25 43 35 29 34 37 5 4 16 44 18 24 21 7 12 42 36 3 > 32 1 -0.08 10 0.04 11 0.23 12 -0.18 13 0.03 14 -0.15 15 -0.15 16 0.19 17 -0.15 18 -0.15 19 -0.15 2 -0.19 20 0.66 21 0.19 22 -0.15 23 -0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.19 30 0.15 31 0.15 32 0.15 33 0.15 34 0.5 4 -0.65 5 -0.57 6 -0.57 7 -0.09 8 0.33 9 0.2 > 4 > 7 1 4 acceptor 1 5 acceptor 1 6 acceptor 3 4 5 20 anion 5 1 6 8 10 11 rings 6 10 11 14 15 18 19 rings 6 13 16 17 21 22 23 rings > 23 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 02BC7B3A00000001 > 55.4502 > 35.652 > 11370993 144 12902919078608223932 11578080 2 11832044097674532751 11582403 64 16053461943310445640 11640471 11 18261385689359798097 11725454 13 16700312356372247072 12054548 360 17471289552917051306 121448 382 18056196010231027136 12173636 292 18194129731055801765 12539773 59 16308555400710833487 12633257 1 12613572697784937572 12788726 201 17396414387640568970 13134695 92 17903075534282339319 133893 2 18336826381802279355 13681431 1 18125169229593362070 14508225 48 16684850121655902486 14955137 171 17549848598107629707 17980427 23 18050813741899170307 1813 80 17834960763082362266 18981168 100 18115891662315740235 20510252 161 18049167957881535931 20671657 1 18267310824425018737 20715895 44 17753580513870637453 20775438 99 15968747007110105031 21524375 3 18116144661374337816 22149856 69 18341897403614956875 22749437 52 18261951976239246180 22907989 373 17761507180229381388 23419403 2 12768503657320549638 23557571 272 17334502000208550856 23558518 356 18340486643738407579 23598288 3 17611179756105363138 350125 39 18263382397975195963 352729 6 18191862538174663322 4017518 198 18201430420864043566 474 4 18334006181874551089 532947 4 18411704266806423598 7364860 26 18340763719877056330 81228 2 17189827173356595954 84936 182 18343299258168088464 9981440 41 18338226193137382459 > 445.91 6.75 4.87 1.52 1.11 5.1 -0.09 -6.96 -1.15 -2.73 -0.2 0.03 -0.4 -1.04 > 965.883 > 246.6 > 2 5 10 $$$$