10848898 -OEChem-03292405183D 17 17 0 0 0 0 0 0 0999 V2000 -0.1373 -2.6744 0.0668 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.4235 0.5518 -0.3486 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -0.6503 -1.3828 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4384 1.7346 0.2937 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9187 -0.6959 1.3668 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0242 0.0449 0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7915 -1.0760 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5354 1.3224 0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -0.0691 0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1671 -0.9192 -0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9108 1.4792 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7267 0.3584 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4229 0.5936 -0.6011 C 2 0 0 0 0 0 0 0 0 0 0 0 0.0840 2.2069 0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 -1.7922 -0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 2.4807 0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8811 1.1373 -1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 4 13 1 0 0 0 0 5 9 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 14 1 0 0 0 0 9 13 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 13 17 1 0 0 0 0 M ISO 1 13 14 M END > 10848898 > 0.6 > 1 9 10 6 4 3 8 2 5 7 > 16 1 -0.18 10 -0.15 11 -0.15 12 0.18 13 0.64 14 0.15 15 0.15 16 0.15 2 -0.18 3 -0.29 4 -0.29 5 -0.57 6 0.09 7 0.18 8 -0.15 9 0.42 > 2 > 2 1 5 acceptor 6 6 7 8 10 11 12 rings > 13 > 0 > 0 > 0 > 0 > 1 > 1 > 2 > 00A58A8200000001 > 32.1164 > 10.148 > 12716758 59 18339370750656568662 12932764 1 18113616763782977476 13380535 76 18342453785640105462 13538477 17 18187076286707046050 14325111 11 18410855460276075721 14993402 34 18260833687256616749 15219456 202 18130794503069166236 15775835 57 18040997349526237228 16945 1 18339636742349880889 18186145 218 18410856542576309437 20201158 50 17846229821375256670 20361792 2 14404912366717457520 20510252 161 18271812353931069401 20559304 39 18189043205845750298 20645476 183 17822581589324684487 20645477 56 18338237179890902948 20645477 70 17703796898605398606 20671657 53 17487641657918747388 20871998 184 18055922244778843167 20871999 31 18269556220310753263 21524375 3 18260267412840239546 22802520 49 18200330886795651150 23402539 116 18342164618377117332 23463225 33 18189887630649469955 23526113 38 17846218873123648354 23552423 10 18048595919978055467 23557571 272 18125730234147598660 23559900 14 18272090522299738116 2748010 2 18194675097966832297 3060560 45 18408603626049833702 3071541 37 18262238790318871479 369184 2 11891329884913678796 4990 188 17988646263880430615 5084963 1 18060140890500224618 6333449 129 18267865158420875696 633830 44 18272650117509401965 69090 78 18342737437859280310 7364860 26 18338510842585742570 8030462 33 18040438758917109560 81228 2 18048602821616155403 81539 233 18041555837362208695 > 269.14 6.31 2.05 0.95 1.13 0.92 -0.05 -2.28 -1.55 -0.27 0.16 -0.74 0.15 0.35 > 523.493 > 166.3 > 2 5 10 $$$$