3154698 -OEChem-04242414283D 37 39 0 0 0 0 0 0 0999 V2000 -3.2058 2.7005 0.0717 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6234 0.2152 0.0044 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -2.5015 -0.1032 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8696 1.5066 0.0903 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9019 2.4895 0.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 -0.0037 0.0087 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9941 -0.1945 -0.0395 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6058 1.4378 0.0735 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.8443 -0.0690 0.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8542 0.1377 -0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4461 -0.6222 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4428 0.6430 -1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -0.0263 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4423 1.1517 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5388 -1.2616 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0485 1.0962 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1452 -1.3170 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3999 -0.1381 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8112 -1.3322 -0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2737 -1.0673 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2918 -1.9295 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9819 0.1901 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4416 -1.1055 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9692 0.8942 1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6335 -0.7433 1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0209 -0.8205 -1.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6271 0.8377 -1.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1038 -0.3612 2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4353 -1.7123 0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1282 0.3685 -2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4371 1.7312 -0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0982 -2.1957 -0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4652 2.0146 0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7182 -2.3093 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4675 0.7064 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2591 -3.0084 -0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4747 -1.4235 -0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 19 2 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 35 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 23 37 1 0 0 0 0 M CHG 2 4 -1 8 1 M END > 3154698 > 0.8 > 1 8 3 7 4 5 2 6 10 9 > 27 1 -0.18 11 0.37 12 0.37 13 0.1 14 0.18 15 -0.15 16 -0.15 17 -0.15 18 0.12 19 0.71 2 -0.28 20 0.05 21 -0.15 22 0.22 23 -0.15 3 -0.57 32 0.15 33 0.15 34 0.15 35 0.37 36 0.15 37 0.15 4 -0.52 5 -0.52 6 -0.84 7 -0.55 8 0.96 > 6 > 10 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 4 anion 1 5 acceptor 1 6 cation 1 7 donor 5 2 20 21 22 23 rings 5 6 9 10 11 12 rings 6 13 14 15 16 17 18 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0030230A00000001 > 74.2087 > 50.837 > 10 15 18040715900572401592 10595046 47 18341891857672681223 10638233 991 17632578275079333113 10835480 77 18261667083164660165 10906281 52 17988376918139575663 10968037 39 18411981369358259599 11101153 10 18412546509582238081 12107183 9 17545036000983786002 12236239 1 17988925553040774447 125118 31 18040999518558932485 12516196 113 18413108360091810801 12596602 18 17676203572048343841 12730499 353 18410579474795427962 12838862 33 18269257102336799760 12916748 109 18410014308126847634 13073987 5 18336827489909071080 13533116 47 18130506345123758682 13899415 154 17275106149941700915 1420 363 18335988588539081123 14251732 16 18408324406279158139 14341114 176 18408608054303501182 14461889 52 18113902705736894234 14528608 73 18412544297478089974 14840074 17 18060133241696292509 14856354 85 16056878057582673069 15196674 1 18338798896908830142 16079462 125 17894901924060762645 16120349 18 18412542137632130041 17844677 252 18341338773306637536 18335252 98 18409735096814537283 19489759 90 16370728098164304567 20157964 124 18411981356484121478 21150785 3 16916784123606309917 21236236 1 18269274574247695249 21267235 1 18339649940695158950 21315759 40 16917349203848160094 21315763 129 18338233744117285900 21315763 28 18411135801307677654 21315764 268 18334008359523294588 21521721 280 18413394245725868731 21792934 111 18339911628467341553 220451 1 16702582714623605831 221357 26 18202566159881181920 23081809 10 17489869306746516547 23352939 185 18060421313442492297 23402539 116 18410570674586572399 23522609 53 17632035103619251553 23559900 14 18338509846201030081 3009799 131 17894345558772357885 335352 9 18411984651288468878 34797466 226 17918281947967198556 350125 39 18341895178025818817 3545911 37 18409450293490807996 4073 2 18041002886066539130 4325135 7 18272368672217478788 4340502 62 17240482498470830898 4463277 17 18411700968075841625 5104073 3 18262238790017931912 542803 24 17060338509312794467 54446538 1 18412261697341234378 > 436.78 18.4 2.22 0.75 1.56 0.85 0.01 3.87 0.41 2.25 0.04 -0.95 -0.02 0.53 > 934.919 > 244.1 > 2 5 10 $$$$