24979711 -OEChem-05042418453D 37 40 0 0 0 0 0 0 0999 V2000 4.8304 -1.4714 2.3740 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0409 -2.3382 -2.7099 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.2764 -2.9953 0.5910 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.4861 -1.2633 1.0814 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1648 -1.8077 -0.9992 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7489 2.6885 -0.3577 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0659 2.5310 -0.5321 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9777 2.8100 0.2892 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6838 -2.9568 -0.2522 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0383 1.5659 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0106 0.6006 0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0893 3.9648 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 1.6635 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2774 1.2348 -0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 4.0134 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2508 0.4630 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8421 -0.7276 0.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4797 0.5028 -0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3214 -0.8458 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0643 -1.4290 0.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 -0.2957 -1.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0503 0.0877 1.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5411 -1.7138 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8571 -1.0465 1.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0651 -1.4300 -1.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8646 -1.8053 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7968 4.7640 -0.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 4.0394 -1.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7336 4.8918 0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8181 4.1242 1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 -1.2004 0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4403 0.9369 -0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0258 -2.4786 0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6387 0.0017 -1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0395 0.6804 2.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6872 -3.5057 -1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2622 -3.2274 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 25 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 14 2 0 0 0 0 8 13 2 0 0 0 0 8 15 1 0 0 0 0 9 26 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 16 1 0 0 0 0 14 18 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 20 2 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 33 1 0 0 0 0 21 25 1 0 0 0 0 21 34 1 0 0 0 0 22 24 2 0 0 0 0 22 35 1 0 0 0 0 24 26 1 0 0 0 0 25 26 2 0 0 0 0 M END > 24979711 > 0.6 > 1 2 3 4 > 32 1 -0.18 10 -0.24 12 0.26 13 0.45 14 0.29 15 0.25 16 0.09 17 -0.15 18 -0.15 19 -0.14 2 -0.18 20 -0.15 21 -0.15 22 -0.15 23 1.16 24 0.18 25 0.18 26 0.1 3 -0.34 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.4 37 0.4 4 -0.34 5 -0.34 6 0.31 7 -0.71 8 -0.7 9 -0.9 > 2.4 > 8 1 7 acceptor 1 8 acceptor 1 9 cation 1 9 donor 5 6 7 10 11 14 rings 6 11 14 17 18 19 20 rings 6 16 21 22 24 25 26 rings 6 6 8 10 12 13 15 rings > 26 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 017D28FF00000001 > 83.1622 > 40.836 > 10906281 52 17826807124142837449 10928967 22 18187096069680398531 1100329 8 18338518517761560921 11582403 64 15964482552089800680 12107183 9 18341629083780286593 12160290 23 17756162097714452976 12363563 72 18408608049913698834 12422481 6 18058192569672413755 12553582 1 18336841804913638890 12623949 98 17685797000702943387 12788726 201 18189064122478841546 12990986 174 18335978654189749578 13140716 1 18411133598026839617 13782708 43 17677896932706612651 138480 1 14590955909804489960 14790565 3 17474110895533752185 14863182 85 17975701910881903516 14866123 147 18051415072308303753 15042514 8 18264773147298672641 15324884 4 17700675282938164348 15420108 30 17626376080569301336 16752209 62 17900544467337267948 17492 89 18267589198815682539 17974551 9 16125860136475810458 1813 80 18340218439782886143 1979834 28 17918280882388508623 20403669 9 18410292514818341623 20600515 1 18194395602860126396 20645477 70 18194402427578113431 21279426 13 18260817203942164149 21452121 199 18335422378753169404 21781051 124 17611213475946565681 23184049 29 18408037394910527576 23366157 5 17970915685395132077 23557571 272 18055631716438054388 23559900 14 18410004455419382865 3004659 81 18040719143209737846 314173 41 18336836384686140131 335352 9 18335978684814053789 3380486 145 17559082459897897116 3421961 26 18339081613278957993 463206 1 18187082853839311899 50009960 94 17754429546541399883 5104073 3 18268156529898958083 613672 6 18339627963036301646 633830 44 10881394352988082731 7364860 26 18123755510800636256 81228 2 17982459196156317992 9709674 26 18264490757662544627 9841814 1 18335988669905816858 > 497.06 9.85 4.4 1.52 3.99 3.98 0.31 -11.43 -2.14 0.8 0.56 -2.36 -1.21 1.22 > 1091.929 > 273 > 2 5 10 $$$$