26229 -OEChem-03282413213D 19 19 0 0 0 0 0 0 0999 V2000 4.6329 0.3614 -0.4421 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0943 -0.4617 0.5571 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1768 1.0496 -0.4843 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6259 -1.1404 -0.1872 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2332 -0.2710 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7713 1.0151 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0556 -1.3616 0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9756 0.6011 0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1318 1.2106 0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4163 -1.1662 -0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 0.1200 -0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3228 0.0431 -0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 1.8869 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6418 -2.3657 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 1.2711 1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6147 1.1421 -0.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5389 2.2176 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0451 -2.0254 -0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0656 0.7129 -0.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 12 1 0 0 0 0 3 19 1 0 0 0 0 4 12 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 10 2 0 0 0 0 7 14 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 M END > 26229 > 0.6 > 1 7 3 9 5 6 2 4 8 11 12 10 > 17 1 -0.18 10 -0.15 11 0.18 12 0.66 13 0.15 14 0.15 17 0.15 18 0.15 19 0.5 2 -0.36 3 -0.65 4 -0.57 5 0.08 6 -0.15 7 -0.15 8 0.34 9 -0.15 > 3 > 5 1 2 acceptor 1 3 acceptor 1 4 acceptor 3 3 4 12 anion 6 5 6 7 9 10 11 rings > 12 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000667500000001 > 28.9736 > 25.434 > 10608611 8 18408600392166494497 11062470 55 17894352176657467204 11401426 45 18342735226399528560 11471102 20 18411135810124173300 12932764 1 17131822171165730417 13380535 76 18408889555271958074 14325111 11 18410572903109836465 14576447 43 18129933580832449839 14911166 2 18341621429868781772 14993402 34 17775568632731723060 18186145 218 18273500078319841593 190213 19 17561082509844434913 200 152 17989486320781394881 20201158 50 18409732845966382698 20606313 2 18410292506233389500 20645477 70 18341329972871662791 20711985 327 13758352288960131067 21119208 17 17989205940868454981 21293036 1 18342742927133407006 23402539 116 17894905235311814084 23402655 69 18340203003612603581 2748010 2 17981055416249406112 4990 188 18131360708713228324 93112 12 18412822486910353029 > 231.22 7.82 1.32 0.69 2.89 0.14 0 -0.92 -1.82 -0.11 0 -0.04 -0.03 0.11 > 468.245 > 135.7 > 2 5 10 $$$$