3964 -OEChem-03282405523D 41 44 0 0 0 0 0 0 0999 V2000 1.7518 4.0271 1.4608 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1321 0.6145 -1.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -1.0168 -0.3990 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3442 -1.3774 -0.2002 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6883 -1.5923 -0.1322 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 -0.2564 -1.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 -2.2869 0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7819 -0.0787 -0.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4344 -2.0656 0.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2226 -0.6572 -0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6623 -1.2025 0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0611 0.8035 -0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1985 1.3677 -0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0526 -1.3452 0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8503 1.6348 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7603 -0.3035 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4088 2.7488 -0.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6285 3.0122 0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4962 3.5693 0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7669 -2.2476 0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1422 -0.1693 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1442 -2.1079 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8321 -1.0707 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0268 0.7179 -1.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5465 -0.8212 -2.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1415 -2.9901 -0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -2.7421 0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4536 0.4086 -1.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6998 0.5865 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3162 -1.4862 1.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8486 -3.0431 1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3514 -0.7262 -0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0986 -2.1741 0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6225 -0.5909 1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7146 1.2148 1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2851 3.1877 -1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6752 4.6408 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2516 -3.0775 1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6803 0.6384 -0.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6802 -2.8161 1.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9041 -0.9671 0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 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 11 1 0 0 0 0 5 10 2 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 20 2 0 0 0 0 15 18 2 0 0 0 0 15 35 1 0 0 0 0 16 21 2 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END > 3964 > 0.6 > 1 7 3 8 5 4 2 6 > 30 1 -0.18 10 0.41 11 0.27 12 0.09 13 0.08 14 0.18 15 -0.15 16 0.08 17 -0.15 18 0.18 19 -0.15 2 -0.17 20 -0.15 21 -0.15 22 -0.15 23 -0.15 3 -0.79 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.81 40 0.15 41 0.15 5 -0.63 6 0.37 7 0.37 8 0.27 9 0.27 > 2.4 > 7 1 2 acceptor 1 4 cation 3 3 5 10 cation 6 12 13 15 17 18 19 rings 6 14 16 20 21 22 23 rings 6 3 4 6 7 8 9 rings 7 2 5 10 12 13 14 16 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00000F7C00000001 > 87.1052 > 35.552 > 10319926 262 18050827959349274370 10906281 52 18198911301504828349 11578080 2 17677591168460325988 11680986 33 18192992840955201197 12035758 1 18194963182713862136 12293681 160 17691942896317331069 12553582 1 18412820291781606151 12788726 201 18262519169926155690 13027679 85 18410572864550355829 13140716 1 18123746727702694762 133893 2 17841968259891831757 13533116 47 18124320656463268043 138480 1 14879188497932982893 14142880 1 17844252826395971177 14178342 30 17973716983699278978 14347329 18 16662026081956485431 14787075 74 18187368770054415746 14790565 3 17616259520805353741 15042514 8 18194688055466523904 15420108 30 17700411665533306054 15527383 91 18339935882843617281 15927050 60 17621604238896382044 16945 1 17688873455479194685 17492 89 18192429663263999122 17980427 23 17632309943187649945 1813 80 17988938763800832822 18785283 64 18121497127023483120 20510252 161 18194399991878203266 20600515 1 18263380121990182311 20642791 105 18116425943141155068 21029758 11 18411130308471462391 21041028 32 18272375278062173001 21049683 271 18190191258956749693 21267235 1 18262246538493017246 21304253 13 18271813397666190097 22182313 1 18116976983572192989 2297311 6 18341061722547552158 23175994 123 18412831278603088407 23352939 185 18272093807063613537 23419403 2 18263061349132715165 23557571 272 18198346161160089086 23558518 356 17117751449976316199 23559900 14 18113895008912386477 23845131 108 17259919420488235105 2748010 2 18264193889538960541 3091708 16 8850102686937672992 3421961 26 18266463281380168161 352729 6 17762615092802684015 392239 28 18410569592091030442 458136 41 17761222406934564933 5104073 3 18195237824867291778 58807428 26 17620469550975132225 69474 34 18342177786599101755 7364860 26 18124602139502022109 7495541 125 18263654020708463963 81228 2 18055089665357593609 9709674 26 17974851980505006043 > 454.39 8.46 4.25 1.08 2.25 4.83 0.05 -7.66 1.12 1.42 1.61 0 0.3 1.29 > 987.799 > 247.6 > 2 5 10 $$$$