53364494 -OEChem-04232422013D 57 61 0 0 0 0 0 0 0999 V2000 1.4978 -0.6658 -0.4164 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4204 -0.0981 1.8273 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2195 0.1089 0.3053 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 -0.6497 0.7025 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1088 1.4762 -0.3939 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -0.1205 -0.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5357 0.5072 1.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2268 -1.0876 -0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4024 -0.4663 1.8613 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5302 0.5395 0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5844 -0.3675 -0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7676 1.9052 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8418 -0.4413 0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8753 0.1514 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0639 2.3179 -0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3770 -1.7562 -0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9223 -0.7500 -0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4423 -2.6349 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3663 3.7775 -0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7164 -2.1307 -0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -0.4672 -0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4158 0.7921 -0.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7259 -1.5285 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6404 -0.0710 -0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7954 0.9901 -0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1056 -1.3303 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0713 0.1348 -0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6739 0.5234 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8483 -0.0555 -1.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0536 0.7219 1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2279 0.1430 -1.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8305 0.5319 -0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9371 0.8391 -1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9285 -0.5372 -1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2385 0.5202 2.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1314 1.5205 1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -2.0857 -0.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5409 -1.1810 -1.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8323 -0.1080 2.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8086 -1.4519 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9682 2.6289 0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3927 -2.1806 0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9300 -0.3804 -0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2786 -3.7073 -0.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8006 4.2441 -1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4312 3.9501 -0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1067 4.2671 0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5534 -2.8090 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7623 1.6221 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3149 -2.5116 0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1956 1.9782 -0.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -2.1684 0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0830 0.6760 1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3946 -0.3585 -2.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5229 1.0246 1.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8330 -0.0051 -2.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9047 0.6865 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 21 1 0 0 0 0 2 13 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 2 0 0 0 0 6 8 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 9 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 12 15 1 0 0 0 0 12 41 1 0 0 0 0 14 17 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 18 20 2 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 22 49 1 0 0 0 0 23 26 2 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 53 1 0 0 0 0 29 31 2 0 0 0 0 29 54 1 0 0 0 0 30 32 2 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 M END > 53364494 > 0.8 > 1 77 20 55 3 48 49 11 24 69 5 71 85 4 88 79 83 63 53 38 29 70 31 58 52 37 47 80 9 30 43 42 84 67 12 60 57 75 36 87 13 32 66 56 64 10 22 6 2 54 26 81 78 14 51 72 28 33 62 82 44 74 34 40 65 15 23 50 16 61 35 18 76 17 86 27 7 68 39 25 41 21 45 46 8 73 19 59 > 43 1 -0.23 10 0.1 12 -0.15 13 0.78 14 0.31 15 0.17 16 -0.15 17 -0.15 18 -0.15 19 0.14 2 -0.57 20 -0.15 21 0.08 22 -0.15 23 -0.15 25 -0.15 26 -0.15 28 -0.15 29 -0.15 3 -0.84 30 -0.15 31 -0.15 32 -0.15 4 -0.66 41 0.15 42 0.15 43 0.15 44 0.15 48 0.15 49 0.15 5 -0.62 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 6 0.37 7 0.37 8 0.3 9 0.3 > 6.2 > 8 1 2 acceptor 1 3 cation 1 5 acceptor 6 11 14 16 17 18 20 rings 6 21 22 23 24 25 26 rings 6 27 28 29 30 31 32 rings 6 3 4 6 7 8 9 rings 6 5 10 11 12 14 15 rings > 32 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 032E470E00000001 > 118.6937 > 40.63 > 10076449 9 17203331134555436875 10162869 55 18040713710039237350 10533779 47 13479132337990554392 10595046 47 18334292038155915995 10669705 176 18272655614909174886 10670039 82 18333726914912255885 11135926 11 15841555158516309029 11315181 36 18131634474677336227 11477941 20 18409438190695689309 12082328 90 18412261718552489639 12089408 11 18113056035356023492 12104220 1 16950564390004302983 12133447 93 18338809909928041372 12373685 5 17748821926108279474 13553643 46 15140680302529074174 13690498 29 18342449384100798871 13811026 1 18342455971863323168 13885169 127 18410293614166166391 14150023 24 14056715755762945016 14251764 18 17749107799188814342 14251764 46 16630811019151791374 14856354 85 18410856599445054215 150020 25 17988921171778630408 15183329 4 18408606945975092145 15328684 2 17823401730773892160 15461852 350 18411143549744944150 15510794 2 18272937120710532798 15530121 191 18202274823813372648 15604295 49 18342170107704940184 1577012 14 18261952959770322323 15849732 13 17988644108049655588 16989713 51 17845362401665502351 17686467 74 18114462357466544285 18335252 98 18060142054484497407 19315958 150 14056721254275521040 19841028 212 18341050714837074510 20105231 36 16702303476903168775 21150785 3 18410011048088486067 21267235 1 16200435775360768810 21792961 116 17561368361435343190 22149856 69 9871480786179014996 24771293 8 17967535644764005732 249057 3 17703789258523158252 335507 130 18411983598161820215 395649 100 18041844025315281323 4073 2 18114188510109600483 4339292 15 17988634264465245983 437795 160 18338227275954690834 44280117 145 18411701019837112575 44802255 64 18060414682540092415 4516262 110 17677326088449566309 5265222 85 18412824660581341619 54039377 194 15554444124405030213 5758199 1 17676207953110359130 5937810 71 17917153784592278345 6691757 9 16588032320439581513 67123 10 18413108381730197214 9663363 56 15985387789848216915 99344 41 18408321060062187342 > 631.86 33.37 2.23 1.19 40.53 1.24 0.38 4.25 -6.2 -7.34 -0.32 1.13 0.01 0.14 > 1394.041 > 338.6 > 2 5 10 $$$$