71378749 -OEChem-03282410173D 25 25 0 0 0 0 0 0 0999 V2000 -5.0689 -0.8101 -0.4365 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7862 -3.1030 -0.3924 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 -1.0294 0.8061 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2496 1.1732 -2.3409 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8182 1.4872 1.1368 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5986 0.4184 0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 0.9468 1.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6977 -1.1286 0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9772 0.5445 0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8088 -1.7562 -0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4007 0.8429 -1.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8461 1.0174 0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7188 1.3251 -0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5604 -0.6131 1.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0029 0.9299 -0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4956 -0.2450 -0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5794 0.6364 2.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 2.0468 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8327 -1.4476 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 -1.5898 -0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7991 -1.3977 -0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 -1.5834 -1.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3112 2.2454 -0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0341 -1.2626 1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5898 1.5327 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 10 1 0 0 0 0 3 14 1 0 0 0 0 3 16 2 0 0 0 0 4 11 3 0 0 0 0 5 12 3 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 M END > 71378749 > 0.6 > 1 84 82 34 63 25 9 66 50 33 80 26 86 36 47 10 64 87 43 31 57 37 89 74 90 54 21 60 24 16 49 79 30 23 48 46 56 78 58 81 42 59 51 52 22 38 44 39 76 15 62 65 35 61 13 40 55 18 73 14 45 88 53 8 69 41 17 20 32 75 91 4 85 7 6 83 72 19 5 3 28 70 11 29 71 27 67 12 77 2 68 > 18 1 -0.18 10 0.34 11 0.36 12 0.36 13 -0.15 14 0.16 15 -0.15 16 0.49 2 -0.34 23 0.15 24 0.15 25 0.15 3 -0.62 4 -0.56 5 -0.56 6 0.4 7 0.14 9 -0.14 > 4 > 4 1 3 acceptor 1 4 acceptor 1 5 acceptor 6 3 9 13 14 15 16 rings > 16 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0441273D00000001 > 30.8025 > 20.298 > 10465860 71 17532103716968953886 10922523 26 18260266326440230503 11806522 49 18341334388456537562 13296908 3 18272368637942097297 14350558 41 18410016528529792687 14863182 85 18338523040002868774 15375462 189 17418083351983006859 15775835 57 18059571438156351231 15852999 172 18335137648032662026 16945 1 18265350562612152769 17980427 23 17534892280405242660 1813 80 13480235109587542728 18186145 218 17822571617006221787 20201158 50 18410008879388302161 20279233 1 18410856607253688809 204376 136 18057033825813236912 20645477 70 18131067108769826631 20671657 53 18198911301335905946 212847 35 14418125210870104727 21730867 7 18341895207810423880 22485316 2 18131064965997584733 23402539 116 17750496529281758153 23557571 272 18187918478581530333 23559900 14 18339072705859690520 33824 294 18271803557700942402 5262128 65 17749971993299535365 7364860 26 18343582923973531386 9709674 26 18408040714988656987 > 308.93 7.4 1.99 1.37 5.75 1.44 -0.54 1.73 -0.18 -2.02 -0.29 -0.61 -0.45 0.73 > 626.032 > 180.6 > 2 5 10 $$$$