70699875 -OEChem-03282409333D 31 32 0 0 0 0 0 0 0999 V2000 1.4180 -2.3986 0.0987 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.0465 0.0905 0.1835 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2730 -1.1661 0.8395 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3329 0.1813 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7576 -0.0486 -0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4136 0.6253 -0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3852 -0.3686 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3225 0.9535 0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 1.0334 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7584 -0.1468 -1.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6956 1.1754 0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0117 0.8160 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2515 -1.3481 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8817 0.8623 -0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5055 -0.4835 0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6255 -1.5655 0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9535 1.9722 0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7174 -0.1842 0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1069 -0.9686 -1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2171 1.3862 1.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2626 2.0503 -0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3066 -0.5815 -2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 1.7760 1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 0.8779 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1313 1.8435 -0.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5739 -0.6664 0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0096 -2.5773 0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2147 2.2319 -0.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5071 2.8486 0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8743 1.7410 0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5867 -0.5873 0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 18 1 0 0 0 0 2 31 1 0 0 0 0 3 18 2 0 0 0 0 4 5 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 13 2 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 11 2 0 0 0 0 8 20 1 0 0 0 0 9 12 2 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 M END > 70699875 > 0.6 > 1 7 9 8 12 13 10 6 14 11 2 5 4 3 > 24 1 -0.19 10 -0.15 11 -0.15 12 -0.14 13 0.19 14 0.2 15 -0.15 16 -0.15 17 0.14 18 0.66 19 0.15 2 -0.65 20 0.15 21 0.15 22 0.15 23 0.15 26 0.15 27 0.15 3 -0.57 31 0.5 6 -0.14 7 -0.15 8 -0.15 9 -0.15 > 3 > 5 1 2 acceptor 1 3 acceptor 3 2 3 18 anion 6 4 6 7 8 10 11 rings 6 5 9 12 13 15 16 rings > 18 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0436CB6300000001 > 46.438 > 25.43 > 11287383 113 18186238445924816441 11401426 45 14851602194074517221 12107183 9 17547857352379227729 12236239 1 18060419105924000012 12507560 40 18334573512721066269 13009979 54 17486776269206134498 13760787 19 18273210932420744671 13760787 5 18131341999587994469 14341114 176 18408610253474579665 14341114 328 18201721756014319251 146900 427 18202286934902871496 14787075 74 18341328985118595491 15342168 16 18115873069682365324 15375462 189 18059565875936293555 17349148 13 13190337954837435377 17834072 33 18411980264865829855 17844677 252 18335707104656178253 19026448 4 18041274379338371301 200 152 18412824664332158617 20279233 1 16877667837859873312 20645477 70 18340204085817872054 21079973 296 17822015332488817723 21267235 1 18272094855668584166 22079108 93 18339357582297388720 22854114 59 18260829302089680548 23402539 116 14707200020352024319 23557571 272 17023182674035837327 23559900 14 18260829289009541488 239999 70 18341055129677852510 26918003 58 18408039598323286859 312423 11 18058463010408544760 3268164 11 15719384019587308663 3286 77 17968654896473021158 33824 294 18261391127020367194 3545911 37 18410293631741661420 42630746 31 18411698786195538510 4340502 62 18259987088999212427 449060 50 18407758153100234452 465052 167 18131354128886887559 474 4 18337109072830026920 5104073 3 18338514136271823256 537710 114 18060418019118134136 621550 34 18040709256152428428 77779 3 18408885105379552893 > 351.42 11.07 1.68 0.91 6.64 0.36 -0.14 -1.15 1.31 -1.84 0.19 0.49 0.01 0.01 > 759.701 > 193.7 > 2 5 10 $$$$