96384 -OEChem-10181923283D 23 23 0 0 0 0 0 0 0999 V2000 -0.4101 -2.2543 -0.1115 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3771 0.3207 0.4779 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3192 0.2512 1.2334 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9075 0.0838 -0.9941 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1358 0.0735 -0.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3228 0.1249 -0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0365 0.2015 0.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0323 -1.0422 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9755 1.3576 -0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3948 -0.9765 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3379 1.4232 -0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0476 0.2562 0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4991 0.1804 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3861 -0.8255 -1.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 0.8940 -1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8319 1.1445 1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8482 -0.6268 1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4349 2.2753 -0.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9425 -1.8897 0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8409 2.3864 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5509 -2.1500 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7070 -0.5782 0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2654 0.2235 0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 21 1 0 0 0 0 2 12 1 0 0 0 0 2 22 1 0 0 0 0 3 13 1 0 0 0 0 3 23 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 9 18 1 0 0 0 0 10 12 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 M END > 96384 > 0.6 > 3 2 4 12 11 5 7 8 1 6 10 9 > 19 1 -0.53 10 -0.15 11 -0.15 12 0.08 13 0.66 18 0.15 19 0.15 2 -0.53 20 0.15 21 0.45 22 0.45 23 0.5 3 -0.65 4 -0.57 5 0.14 6 -0.14 7 0.06 8 0.08 9 -0.15 > 3 > 6 1 1 donor 1 2 donor 1 3 acceptor 1 4 acceptor 3 3 4 13 anion 6 6 8 9 10 11 12 rings > 13 > 0 > 0 > 0 > 0 > 0 > 1 > 9 > 0001788000000003 > 26.9898 > 30.504 > 11132069 177 18342175578838192437 12119455 92 17346877827864328469 12251169 10 18335698364692753060 13024252 1 14056714639250489741 13581323 91 18334295370422504332 14144814 61 18334010588553097240 14325111 11 18338235964188051604 14993402 34 18186803595022689469 15219456 202 18130230341549956286 15669948 3 18336267967582177710 15775835 57 18410292493005564035 16945 1 18335996298231886629 17846911 113 18413387627028173865 18186145 218 17846781776080374992 19422 9 17603304843320611776 200 152 14707201124074301120 20279233 1 17846780724161488742 20510252 161 18271527498556880697 20528008 55 18343298188657719904 20645464 45 18131350821149938389 20645477 56 18341890818591444920 20645477 70 13984651539291498056 20871998 184 18270967971755658847 21501502 16 18125999618364453892 22485316 2 14201116825161669496 23402539 116 18342728633661646325 23463225 33 18114741538682623650 23559900 14 18271257045093512126 2748010 2 17974580096015596597 366044 4 18411982459953073931 43471831 8 18261390001385826123 69090 78 17846775217586316583 77492 1 17530971301818171948 > 244.06 7.19 1.41 0.85 4.6 0.46 -0.03 -1.11 -1.56 -0.93 0.1 0.63 -0.05 0.08 > 506.067 > 139.1 > 2 5 10 $$$$