28858 -OEChem-03292405593D 24 25 0 0 0 0 0 0 0999 V2000 5.7130 1.0170 -0.0881 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4309 -2.1901 -0.4839 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2676 1.3754 0.1609 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5974 0.9803 -1.3275 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9894 0.1101 0.5553 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3807 -0.2327 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0046 -0.6322 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1713 -0.5955 0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4188 0.0487 0.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0689 -1.8607 -0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7188 1.1192 0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3822 -1.1984 -0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0583 1.5055 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7217 -0.8122 -0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0599 0.5399 -0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0858 0.8256 -0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2039 0.7435 1.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1245 -0.7072 1.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8497 -2.5856 -0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9561 1.8904 0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1893 -2.2666 -0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3072 2.5627 0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4927 -1.5752 -0.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 1.8927 -0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 16 1 0 0 0 0 3 24 1 0 0 0 0 4 16 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 14 2 0 0 0 0 12 21 1 0 0 0 0 13 15 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 M END > 28858 > 0.6 > 1 6 8 7 3 4 5 2 > 22 1 -0.18 10 -0.11 11 -0.15 12 -0.15 13 -0.15 14 -0.15 15 0.18 16 0.66 19 0.15 2 -0.08 20 0.15 21 0.15 22 0.15 23 0.15 24 0.5 3 -0.65 4 -0.57 5 -0.57 6 0.05 7 0.33 8 0.05 9 0.24 > 3 > 6 1 3 acceptor 1 4 acceptor 1 5 acceptor 3 3 4 16 anion 5 2 5 7 8 10 rings 6 6 11 12 13 14 15 rings > 16 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 000070BA00000001 > 29.1378 > 30.504 > 10014705 185 18410854399281821752 10608611 8 18339922748311471016 11089746 13 17561358500870790360 11401426 45 18272088327302359560 11471102 20 18341614798286282726 11543360 7 14692566649941152554 12403259 415 18130223873366138417 12500047 106 18342173422949421026 12507560 40 18334021604917709187 12596602 18 14418145023254048037 13214271 11 17968098663436974731 13583140 156 17894918442383677027 13675066 3 18040723571046492586 14252887 29 12612744706079668280 14897335 6 18342738528744329314 15099037 51 18412827962803946310 15196674 1 18412265060285166618 15375358 24 18130791174538220006 15501527 16 18410578413278785088 17834072 32 18411703209426550781 17834072 8 18343310249643201782 18186145 218 18272098192256870794 200 152 16989126460906411738 20112054 13 18040435498884041975 20432913 95 8142084277660102549 20645477 56 18335138713131666853 20645477 70 18272657801148151534 20871999 31 18201430441404924143 21709351 56 18339922740143627340 231179 274 18333732403378923458 23402539 116 17917709106308591652 23402655 69 18343582949674620356 23557571 272 18271534211574615191 23559900 14 17988927799656648154 25 1 18341046333368214447 293599 30 18410295817758468348 300161 21 18342735239416247370 335352 9 18412265009035605878 34934 24 18410570700066037226 3545911 37 18341336664409078114 4072396 5 18340476799873383514 4214541 1 18410857706406776082 4325135 7 18272087232497344319 5104073 3 18409447024889139610 633830 44 17749670809319263618 6430166 295 18408602573914591008 69090 78 18412259541077975079 > 318.27 10.48 1.87 0.79 1.45 0.62 0.07 -5.85 0.48 -0.53 0.23 -0.52 -0.06 0.22 > 662.27 > 183.2 > 2 5 10 $$$$