66525045 -OEChem-05052419303D 41 42 0 1 0 0 0 0 0999 V2000 -5.0713 -3.4213 0.2500 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1003 2.9793 0.1773 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 0.8684 1.3359 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4835 0.1095 -0.1914 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2011 2.0818 -0.3705 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3487 -0.2770 -0.4463 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6153 0.6043 0.5753 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9050 -0.0892 0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 0.8289 -0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7772 0.4579 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8895 2.0482 0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9519 -0.0946 -0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7219 -0.0968 -0.0400 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2771 -1.4083 0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5972 -1.2737 -0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2898 0.2313 0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0774 0.4813 -0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2547 1.2190 -0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5664 -1.7868 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4583 -0.8501 -0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1024 -2.6119 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4645 0.5850 1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -0.9078 -0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8926 1.5434 0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8108 0.0442 1.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7509 -0.0389 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8747 -1.1858 -0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 0.3239 -1.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 2.9040 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 -2.1230 0.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6273 -1.1147 -0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6262 -1.3247 -1.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1617 -0.7358 -1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7626 1.2054 -1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2253 1.2270 -1.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6556 2.0664 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2900 1.3866 -0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4591 -1.1546 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1150 -2.8654 -0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7927 -3.4100 -0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0424 -2.5994 1.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 11 2 0 0 0 0 3 16 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 29 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 12 16 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 26 1 0 0 0 0 14 19 2 0 0 0 0 14 30 1 0 0 0 0 15 21 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 17 20 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 M END > 66525045 > 1 > 1 99 136 105 19 134 15 93 23 68 130 26 151 138 128 46 127 132 124 6 116 17 112 148 92 4 109 118 31 28 110 145 101 39 107 141 154 73 8 140 103 2 100 135 60 98 111 82 34 42 62 53 74 142 146 22 27 95 156 49 131 79 94 137 14 80 147 63 85 41 114 55 20 50 24 115 71 37 29 45 32 18 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18342746178551114926 14461889 52 18339073913315012002 14849402 71 12966544509989595170 14931854 50 17895461623104638723 15183329 4 18334014952614747850 15250474 111 18115860811613730522 17834072 33 18260268530159340936 17844677 252 18411144610997829740 17857418 61 18411417272453826610 18222031 100 17967530173492797292 18335252 98 18339082708964941458 18927931 339 18410860953908486687 19489759 90 18260267434220084965 21054139 6 18040996263305972810 21150785 3 18114188549412301582 21267235 1 18335423508793356691 21307412 95 18339350968765710855 21623969 137 17418097598843533710 2297311 6 18412267241843566945 23035841 295 18410012122162359523 23402539 116 18335419071216420725 23522609 53 18057072218283868080 23557571 272 18272654515308226813 23559900 14 18410566327541812857 25122255 55 18341338824815135942 3004659 81 18113613525551618669 329604 57 18272936007981596064 335352 9 18409443718571039919 4073 2 18113625607848692578 4214541 1 18338235968778599776 465052 167 17988927765239076062 497634 4 18334296431395939148 5104073 3 18060419088949782144 531348 171 17678450870699534910 59755656 215 18409445851899168199 59755656 520 18196937660995682465 67856867 119 18115593788969868724 7495541 125 17917709119826431568 > 407.36 17.95 2.84 0.8 23.08 1.15 -0.06 10.04 2.95 -2.44 -0.16 0.14 -0.06 0.49 > 834.62 > 236.7 > 2 5 10 $$$$