11646823 -OEChem-05132419303D 40 42 0 0 0 0 0 0 0999 V2000 -8.6627 -0.7644 1.6914 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7219 -0.8603 -0.4088 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2018 0.3205 0.6828 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3212 1.1359 -1.1436 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0479 0.9920 0.7509 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8039 -0.5557 -0.1024 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9391 -1.8416 -0.6435 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0649 0.9091 -0.1955 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3189 0.2143 0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1144 -0.1688 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3701 -1.7844 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3747 -0.5986 -0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2712 1.6136 0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7016 -0.3551 1.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8488 0.4077 -0.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3053 -2.8881 -0.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0234 0.0354 1.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1706 0.7980 -0.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7578 0.6119 0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7596 -0.2873 -0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9444 -0.0206 -0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3398 0.2940 -0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0645 0.3939 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1927 -0.3567 0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8456 1.2511 -1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5355 -0.0159 0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2039 1.5200 -1.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2995 2.2396 -0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2747 2.0438 0.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1918 1.6792 1.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1418 -0.8033 2.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4039 0.5606 -1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9951 -2.6085 -1.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8858 -3.1709 0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7534 -3.7738 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 -0.1125 2.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7288 1.2520 -1.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8202 -1.1079 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 1.7792 -1.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6493 2.2584 -1.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 19 1 0 0 0 0 5 23 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 26 2 0 0 0 0 8 27 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 12 20 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 15 18 2 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 20 21 3 0 0 0 0 21 22 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 27 40 1 0 0 0 0 M END > 11646823 > 0.6 > 2 4 3 1 > 34 1 -0.18 10 -0.02 11 0.01 12 0.25 13 0.18 14 -0.15 15 -0.15 16 0.18 17 -0.15 18 -0.15 19 0.08 2 -0.34 20 -0.02 21 -0.07 22 0.07 23 1.3 24 -0.15 25 -0.15 26 0.49 27 0.16 3 -0.34 31 0.15 32 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.34 40 0.15 5 -0.36 6 0.33 7 -0.57 8 -0.62 9 -0.33 > 3 > 6 1 5 acceptor 1 8 acceptor 3 6 7 11 cation 5 6 7 9 11 12 rings 6 10 14 15 17 18 19 rings 6 8 22 24 25 26 27 rings > 27 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00B1B76700000002 > 79.0329 > 30.446 > 10 15 18261109673861215403 10050765 1 18054512396183654409 10299344 5 16298384660572015521 10319688 140 17416977118695380494 106641 1 17385445449072011025 10670039 82 17275106094323663913 10835480 77 18335978655044759813 11135609 99 13912904067872882121 11135926 11 18131347493289126575 11315181 36 10087640417034353431 11646440 116 18131636694875202833 11724838 91 17676206896664494143 12236239 1 18113614621353653198 12516196 113 10809342230817481006 12838862 33 18200576056245068536 13177829 20 16877662379009102913 13533116 47 17632014148479166430 13685833 64 10665228141962959646 14251764 18 15430037656107408297 14251764 46 17561082514413858320 15183329 4 14333413346061211191 15461852 350 18410846691002514255 15840311 113 17531251686548722084 15849732 13 18407759248369714092 18335252 114 18201148906124669340 19611394 137 17896332462177963521 20505436 4 18186795924981836346 21033648 29 18129647738448551074 21150785 3 14908179759504459541 22224240 67 18410290333111955995 249057 3 15051726516853154469 3178227 256 18342461460430256697 335352 9 18201717384033121668 3663271 9 17095799945900722129 4073 2 15864362384061951369 4340502 62 17313100843560029475 5104073 3 18267306418558622531 5385378 56 18271528610874483726 54076057 127 17775297036560478615 5758199 1 18060421318096005707 59682541 35 18040436628898355897 59755656 215 18130790027908637374 59755656 520 17988915691231666495 6086070 43 16988554753673793803 6126387 218 13623521365012787543 > 514.88 25.61 1.65 1.22 13.8 0.85 0.28 -7.57 4.06 0.14 -0.55 0.4 0.05 1.36 > 1112.096 > 286 > 2 5 10 $$$$