1376934 -OEChem-05241316283D 51 53 0 0 0 0 0 0 0999 V2000 -7.9773 1.0034 0.8604 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1824 -2.6881 0.7514 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7294 2.5547 -0.8675 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5589 1.4334 0.8995 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.8867 -1.0289 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 -0.3718 -0.2732 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3338 -0.4976 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1014 -1.6874 -1.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6177 0.3346 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4102 -0.8941 -1.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2481 -1.6347 -1.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0395 -0.0253 0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4003 -0.8240 -0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3088 -1.3935 0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3818 1.2898 0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0722 -0.9812 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 0.4962 -0.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 1.2605 -0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3714 -0.6292 0.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5161 0.6978 0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7030 1.6349 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3934 -0.6361 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7088 0.6720 0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1656 -3.1817 1.6589 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0774 3.5490 -0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7696 1.4053 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4481 0.1142 0.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4566 -1.3888 0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2426 -2.6133 -1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8618 -1.9753 -2.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 0.5204 1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 1.3043 -0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3344 -0.0562 -2.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2042 -1.5545 -1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4919 -1.9015 -2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1369 -2.5778 -0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6274 2.0700 0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8486 -2.0104 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8376 0.9447 -1.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1183 -1.0049 1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9498 2.6537 0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1764 -1.3861 0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 -3.1860 1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9104 -4.2249 1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1386 -2.6467 2.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4673 3.5469 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9956 3.3817 -0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2765 4.5261 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5008 2.0441 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6039 1.7915 -0.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1682 0.3869 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 14 1 0 0 0 0 2 24 1 0 0 0 0 3 18 1 0 0 0 0 3 25 1 0 0 0 0 4 20 1 0 0 0 0 4 26 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 19 2 0 0 0 0 15 21 1 0 0 0 0 15 37 1 0 0 0 0 16 22 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 21 23 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 M END > 1376934 > 0.8 > 1 42 24 58 23 7 35 25 39 36 18 54 6 52 11 48 40 33 30 59 51 19 61 13 26 34 15 14 55 21 29 31 20 37 16 46 17 4 8 56 57 38 9 41 49 12 27 22 28 32 3 60 43 2 50 10 45 53 47 44 5 > 32 1 -0.19 10 0.37 11 0.41 12 0.1 13 -0.14 14 0.08 15 -0.15 16 -0.15 17 -0.15 18 0.08 19 -0.15 2 -0.36 20 0.08 21 -0.15 22 -0.15 23 0.19 24 0.28 25 0.28 26 0.28 3 -0.36 37 0.15 38 0.15 39 0.15 4 -0.36 40 0.15 41 0.15 42 0.15 5 -0.81 6 -0.84 7 0.27 8 0.27 9 0.37 > 7.2 > 8 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 1 6 cation 6 12 15 16 21 22 23 rings 6 13 14 17 18 19 20 rings 6 5 6 7 8 9 10 rings > 26 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 001502A600000001 > 112.3858 > 40.604 > 10 15 18343588439202162851 10162869 55 18336254747941716695 10554248 39 17987508222428174815 10595046 47 18410293640410606819 10670039 82 16630260120792077192 10674148 151 18343304808679572268 11724838 91 18341327881222147887 12107183 9 17904762181061348425 12236239 1 18272930531323222190 12596602 18 18408040685245704635 12616971 3 18343013368460869719 12633257 1 16950561151124292364 12788726 201 17346606248407956849 13073987 5 18335422340266690849 13533116 47 18041000587810603715 13583140 156 18335430117925209755 13668630 136 11530474523795604593 13673619 4 17168988864157578846 13782708 43 16588575397400599586 13785724 45 17836931105389772318 14251764 75 18119815969618925836 14849402 71 18260548978681611836 15142526 21 18118966029765318280 15348495 7 18113905970365427131 15419008 145 18336818694275602336 15475509 35 16806157745131951298 17844677 252 18335988545710506705 19377110 9 18341042012784459551 20505436 4 18272083938025839566 20511986 3 18272638061055991457 21315764 268 18261392205294678325 21344244 78 18267569240033392018 21792964 463 18188229627482586420 21859007 373 17387402442763191765 22122407 14 18341061799656568577 22956985 138 13336112232803192616 23516275 100 14260477233606919315 23559900 14 17488755449611832015 25147074 1 18200859764478510911 3004659 81 18201162057171864366 312425 54 17676492722738507723 3178227 256 17967526905508001200 3472631 163 17560801082234093332 34797466 226 16415484865602951245 3663271 9 18409167701891562347 3680242 22 18341056228946568961 38570 142 18118421742062282580 397830 11 18114476647059972611 4073 2 18114188582949601003 4144715 1 18262247612408219651 4340502 62 18040155123667100235 474 4 18335978783386862918 5104073 3 18115863005977449745 5385378 56 18334287674748627362 5758199 1 18335699494796627176 86090 222 16443917033247863907 > 500.22 18.09 2.88 1.23 20.66 0.53 0.17 7.28 -6.31 -4.67 -0.45 -0.34 -0.62 -2.16 > 1059.017 > 283.1 > 2 5 10 $$$$