71559702 -OEChem-03282417453D 34 36 0 0 0 0 0 0 0999 V2000 1.7932 -1.3855 0.6456 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9243 1.5878 0.3247 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6959 3.0257 0.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2867 -0.7980 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4371 0.2678 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7099 -0.5189 -0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -1.1905 0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7246 -2.0803 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0728 0.0902 0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3584 -2.2742 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6853 -0.5170 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1453 0.7462 -0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5533 0.2631 0.8023 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6494 -1.6435 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2617 1.8811 0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7095 -0.4284 -1.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 1.1321 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5416 0.1811 2.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6019 0.4406 -1.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4698 1.2208 -1.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3308 -2.9529 -0.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 0.9538 0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0555 -3.2779 0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1904 0.9887 -0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6761 -2.3753 0.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3464 -2.1499 -1.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6755 -1.2888 -0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0473 -1.0367 -1.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 1.7472 0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 0.5282 2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7114 -0.8501 2.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3259 0.7994 2.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6224 0.5080 -3.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1648 1.8971 -1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 2 15 1 0 0 0 0 3 15 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 12 2 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 10 2 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 17 20 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 M END > 71559702 > 0.6 > 1 13 14 10 17 12 16 9 7 2 3 11 15 5 4 8 6 > 28 1 -0.17 10 -0.15 11 0.08 12 -0.14 13 -0.14 14 0.14 15 0.71 16 -0.15 17 -0.15 18 0.14 19 -0.15 2 -0.23 20 -0.15 21 0.15 22 0.15 23 0.15 24 0.15 28 0.15 29 0.15 3 -0.57 33 0.15 34 0.15 4 0.03 5 0.08 6 -0.17 7 0.08 8 -0.15 9 -0.15 > 2 > 5 1 1 acceptor 1 3 acceptor 6 11 13 16 17 19 20 rings 6 2 4 5 6 12 15 rings 6 4 5 7 8 9 10 rings > 20 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0443EA1600000001 > 72.0922 > 25.4 > 10498660 4 18341051834868159129 10646746 165 18342172241780387800 10670039 82 18334866000104693940 10906281 52 18410581661429413311 11543360 7 15841537592179195233 11640471 11 17749679592332211822 12173636 292 18340481171648885455 12236239 1 17822003246656548906 12390115 104 18129677300793222065 12403814 3 17313375756116784111 12670546 177 17489021673101073599 12788726 201 17607813008319903466 128620 24 18272370888314991375 12916748 109 18410579512980329779 13675066 3 12829207775857523883 13965767 371 17895468134095269676 14251757 17 17704068477956529073 14739800 52 18193543696640219296 14790565 3 17911246010217157041 15961568 22 18053091007002091624 16752209 62 18411701006097745979 17349148 13 18040708173467534003 18186145 218 17846786182447789146 20510252 161 18272932717751466651 20645477 70 16128384787462356094 20715895 44 17463387453275200005 21864079 5 18260561021284483108 23227448 37 18127406976242140012 23366157 5 18044936762297799147 235170 7 17203610388965406069 23557571 272 18131635620473534076 23559900 14 18057321691548374310 23596394 208 17131839750646299270 238 59 16558754473228146598 2838139 119 17980484778827797540 3268164 11 18272081721447447373 3323516 105 17203612600894623102 341906 21 18410004446992816288 3472631 163 18408609183785357828 38570 142 16734703912163632372 4028521 119 18272937119644493316 4340502 62 16370443354654484035 474 4 17240767328243708350 5104073 3 18338795615886392707 5281201 14 17489594471651952492 633830 44 17749398005153699003 7064713 232 18335414617393896132 7808743 9 18409453626259290264 960060 61 13830122875898047808 9981440 41 18334294283717236026 > 393.98 10.06 2.26 1.36 0.76 0.63 0.06 3.44 -1.6 -2.78 0.06 2.31 0.1 -0.72 > 865.988 > 213.1 > 2 5 10 $$$$