1868535 -OEChem-04232405313D 47 50 0 0 0 0 0 0 0999 V2000 7.6730 2.5208 -1.0667 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7215 -0.4019 -0.5925 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1257 -0.6696 -1.6561 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4456 0.9530 2.5628 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0468 -0.0289 1.8786 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0660 -1.3925 -0.2037 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4385 0.3704 1.1819 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8858 0.1305 0.4227 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2571 0.5585 2.1067 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2595 0.2022 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5527 -0.5073 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9231 -0.3857 -0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7816 -1.3135 -0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8918 -0.9082 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5999 -1.1077 -0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6025 0.5925 1.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0499 -0.0891 -0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1851 0.0184 1.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7219 -0.7242 -0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0936 1.1961 0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2979 -2.3903 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6847 -2.1296 0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8907 0.3391 -0.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0439 -0.6554 -1.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4156 1.2649 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3076 -0.5128 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9285 1.1383 -1.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4327 0.2829 -0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3043 0.4130 -1.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0536 1.9340 -1.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3057 1.5063 -0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7206 -0.2041 0.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -1.4987 -1.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1384 -1.5684 -1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7601 1.9954 1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0506 0.9151 3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7656 -3.2602 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4275 -2.7649 0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4079 -1.3922 -2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0605 2.0567 0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4216 -1.4626 0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9708 1.5068 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9381 2.8848 -1.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9583 0.8234 -0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3720 1.0495 -2.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6898 -0.5813 -1.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9329 -1.7141 0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 12 2 0 0 0 0 4 16 2 0 0 0 0 5 18 2 0 0 0 0 6 32 1 0 0 0 0 6 47 1 0 0 0 0 7 32 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 9 36 1 0 0 0 0 10 19 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 13 15 1 0 0 0 0 13 21 2 0 0 0 0 14 17 1 0 0 0 0 14 22 2 0 0 0 0 15 33 1 0 0 0 0 17 26 2 0 0 0 0 17 27 1 0 0 0 0 19 24 1 0 0 0 0 19 34 1 0 0 0 0 20 25 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 28 1 0 0 0 0 26 41 1 0 0 0 0 27 30 2 0 0 0 0 27 42 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 43 1 0 0 0 0 M END > 1868535 > 0.8 > 2 17 8 15 1 10 7 16 5 3 14 19 6 13 4 12 20 9 11 18 > 44 1 -0.18 10 0.12 11 0.03 12 0.62 13 0.09 14 0.09 15 -0.11 16 0.69 17 0.05 18 0.62 19 -0.15 2 -0.28 20 -0.15 21 -0.15 22 -0.15 23 -0.14 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 0.09 29 0.14 3 -0.57 30 -0.15 31 0.18 32 0.63 33 0.15 34 0.15 35 0.15 36 0.37 37 0.15 38 0.15 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.15 43 0.15 47 0.5 5 -0.57 6 -0.65 7 -0.57 8 -0.24 9 -0.49 > 4.4 > 12 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 9 donor 3 6 7 32 anion 5 2 13 14 21 22 rings 6 10 19 20 23 24 25 rings 6 17 26 27 28 30 31 rings 6 8 9 11 12 16 18 rings > 32 > 0 > 0 > 1 > 0 > 0 > 1 > 3 > 001C82F700000002 > 113.6103 > 60.959 > 10 15 17095525115011220670 10076449 9 14476960103821297915 10319926 262 15430042101599065144 10533779 47 16081370696228837688 10625338 86 15791726417032595790 10670039 82 16917073222234419297 10883706 142 17313105242439684611 11409948 35 15720220696881872402 11443803 9 17988915678990686318 11828532 37 17059771242985838618 12082328 90 12463579460817894867 12236239 1 18202565051104503263 12373685 5 17676195884416405499 13540713 5 17129315155901036195 13673619 4 13039191394218207083 13685833 64 11455892459723927958 14118638 360 16415206637041196646 14767858 380 17988924470518988387 150020 25 15482673485474266616 15064986 266 12607140525388324898 15131766 46 17462859997263874572 15183329 4 17989215858475689348 15301273 46 16081088178139088446 15419008 47 16226041189120934620 15439362 3 18051970617522666808 1577012 14 17560810874643249987 16994733 274 18260261928821585009 18335252 114 18407758140758865892 18335252 98 14189577433944143932 18681886 176 16917058971427546571 19301679 30 8069487927567502756 20157964 124 18260830376048100594 2026 5 13326034148700986860 21033648 29 16805884121407905364 21150785 3 17847059978566176311 21267235 1 16559026113484090219 21362857 166 16558480703876842252 21365058 113 14333406766023914219 21403212 168 18113614582788988906 21591340 7 18410287030144929366 21792961 116 14333416636359679214 22224240 67 17748825224104831786 23569917 315 18343028796163713038 23576562 1 18057040426703431693 2838139 119 18113897173660598709 3004659 81 17561074814033213153 335352 9 17131825445139033501 335507 130 13830125096675714984 3633792 109 18337391543505784335 397638 26 15864073191023780233 397830 11 16661222475920961872 4073 2 18040721406288647211 4093350 32 16660634120961646419 4325135 7 18343016684054003991 4403749 210 17750807721042745202 45377200 153 13542165239661647909 5385378 56 14490462050791669745 54039377 194 10303548195361041652 58902169 19 18412259575226594396 6058803 2 17270616655166850235 6371009 1 18411708694654254048 6394761 36 16588023507187749218 9962374 69 11527649878856266933 999808 66 12103847860813319069 > 615.24 28.06 1.83 1.6 0.78 0.31 -0.91 12.57 4.85 -3.79 0.37 2.7 0.02 -0.71 > 1362.14 > 329 > 2 5 10 $$$$