2376815 -OEChem-04242402313D 54 56 0 0 0 0 0 0 0999 V2000 1.5959 0.4414 -0.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6740 1.8465 -0.2544 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3337 2.1472 0.6282 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3481 1.3994 2.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8036 1.1257 -1.9004 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8614 -2.8149 0.2173 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 -1.6714 -0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4594 -3.0994 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6278 -0.4270 -0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3989 -1.9323 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7281 -3.9901 0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8629 -0.5404 -0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1675 0.7950 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7103 -2.0852 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0772 -3.7334 0.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5728 1.0625 -0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6357 -1.0054 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3003 1.1047 0.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2862 -0.4468 -0.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 1.2910 -1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9176 -0.4749 1.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6703 1.3666 0.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1879 0.6066 -0.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6321 1.5528 -1.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8193 0.5784 1.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3363 1.5905 -0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4546 1.1191 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5477 0.7242 -0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8027 3.4696 0.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4518 -1.4736 -0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6015 -1.8970 -1.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3716 -3.3635 -1.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8913 -3.9687 0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8728 -4.3066 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2567 -4.8267 0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5404 1.6767 -0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 -3.0828 0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9728 -3.2641 1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7331 -3.1164 0.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5973 -4.6867 0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7926 0.9310 1.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0832 -0.8435 -1.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7307 1.2663 -2.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4324 -0.8828 2.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1444 1.7269 -2.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0227 0.9725 2.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2748 1.6323 1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4975 0.6488 -2.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3878 0.0262 0.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3963 0.2129 -1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5783 1.0871 -0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3401 3.6553 -0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6261 4.1760 0.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0712 3.6258 1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 26 1 0 0 0 0 2 28 1 0 0 0 0 3 27 1 0 0 0 0 3 29 1 0 0 0 0 4 22 1 0 0 0 0 4 47 1 0 0 0 0 5 23 1 0 0 0 0 5 48 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 41 1 0 0 0 0 19 23 1 0 0 0 0 19 42 1 0 0 0 0 20 24 2 0 0 0 0 20 43 1 0 0 0 0 21 25 2 0 0 0 0 21 44 1 0 0 0 0 22 26 2 0 0 0 0 23 27 2 0 0 0 0 24 26 1 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END > 2376815 > 0.8 > 1 18 25 9 27 20 4 7 26 12 28 19 14 17 21 10 15 23 11 6 22 24 5 8 16 13 3 2 > 38 1 -0.57 10 -0.12 11 0.27 12 0.54 13 -0.18 14 -0.18 16 0.03 17 0.03 18 -0.15 19 -0.15 2 -0.36 20 -0.15 21 -0.15 22 0.08 23 0.08 24 -0.15 25 -0.15 26 0.08 27 0.08 28 0.28 29 0.28 3 -0.36 36 0.15 37 0.15 4 -0.53 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.45 48 0.45 5 -0.53 6 -0.81 7 0.41 8 0.41 9 -0.12 > 5.6 > 9 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 donor 1 5 donor 1 6 cation 6 16 18 20 22 24 26 rings 6 17 19 21 23 25 27 rings 6 6 7 8 9 10 12 rings > 29 > 0 > 0 > 2 > 0 > 0 > 1 > 5 > 0024446F00000001 > 109.7479 > 45.671 > 10 15 18040154015338593280 10074138 170 17968376857259593251 10454371 7 18202002170577310823 10498660 4 18341895221291541464 10622 236 12398022265576407889 12107183 9 18191005856383691642 12236239 1 17631445679935569461 12390115 104 18341902912839730610 12596602 18 17774436067758330009 12788726 201 18043528532784345522 12925494 130 18198051689380920920 13540713 4 18341628026807621758 13726171 33 18268149945556415904 13911987 19 18335702702757701573 14068700 686 18192430771570894005 14787075 74 17988355967299382777 14790565 3 18269276755331647241 15183329 4 14117519835279082080 15338160 23 18263082287150893658 1813 80 7997676653851061723 18222031 100 7925620137818003630 20567600 234 17967533458625801293 20642791 13 18263923400730546407 21033648 29 18189325784386963157 21049683 118 18264186106757839338 21236236 1 18411980295442856055 21360443 126 18335697265423874479 21521721 280 18341052935170571241 22149856 69 18264507096303772777 22224240 67 18409448060445450109 23559900 14 18342460293049049774 249057 3 18339081493943364654 283562 15 18193267713988033571 3004659 81 11743834772920471084 335352 9 18340491063539317206 3472631 163 18271805757183185980 350125 39 18267022949688567771 4258327 124 18188779464636465821 4340502 62 18338513037234968007 437795 51 18060697308436104057 5104073 3 18262226820688181762 5486654 2 18411421687632305509 5758199 1 18341897360227550345 57634706 306 18262503828624656205 6004065 56 18334574647199386165 7808743 9 18410288155768973096 > 562.48 17.11 3.98 1.35 2.84 3.62 0.16 -16.84 1.05 0.62 0.54 -0.07 -0.56 0.7 > 1207.932 > 312.1 > 2 5 10 $$$$