59242055 -OEChem-04232408293D 38 40 0 0 0 0 0 0 0999 V2000 0.6151 3.1632 1.9783 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.0439 1.7508 -1.1711 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2277 -1.5487 0.5013 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4726 0.6935 1.1716 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4768 1.9227 0.6432 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6943 -1.7738 -0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0101 -0.3678 0.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0375 -1.1748 -0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2663 -0.3607 -0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3413 -2.5320 1.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9837 0.8440 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4229 0.0241 -0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8977 -1.8173 0.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8064 -1.4823 -0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6687 0.5804 -0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2452 0.8895 -0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1433 -1.2608 0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0692 -1.4090 -1.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5289 -0.0621 0.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7892 -0.2216 -1.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2489 1.7890 1.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1153 2.3535 -2.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8165 -2.8473 -0.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2979 -1.3617 -1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3899 -2.7805 1.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0974 -2.1468 2.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1714 -3.4663 1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7148 0.4832 -1.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 -2.7547 1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -2.4226 -0.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8291 1.8070 -0.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8136 -1.7615 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4898 -2.2728 -1.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5005 0.3664 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7757 -0.1558 -1.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5772 3.2740 -2.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9274 1.7166 -2.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1907 2.6442 -1.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 15 1 0 0 0 0 2 22 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 7 2 0 0 0 0 4 21 1 0 0 0 0 5 11 1 0 0 0 0 5 21 2 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 16 2 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 20 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END > 59242055 > 0.6 > 1 80 106 31 90 121 60 92 53 115 128 117 132 126 77 29 21 94 62 33 79 111 82 129 103 45 68 125 40 76 95 52 102 116 133 27 89 86 54 108 25 74 36 69 130 66 124 131 14 28 6 91 93 47 88 78 100 81 57 24 70 96 56 134 114 61 104 22 122 110 97 71 49 58 105 63 51 107 26 16 101 120 55 32 64 41 75 15 34 67 84 35 135 13 9 118 99 48 50 112 72 7 83 59 65 8 46 39 42 20 127 37 10 43 3 98 5 109 123 85 44 4 119 113 19 87 73 11 23 30 38 17 12 2 18 > 29 1 -0.18 10 0.37 11 0.31 12 -0.15 13 -0.15 14 -0.15 15 0.08 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.36 20 -0.15 21 0.8 22 0.28 28 0.15 29 0.15 3 -0.84 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 4 -0.62 5 -0.62 6 0.51 7 0.41 8 -0.14 > 4 > 6 1 2 acceptor 3 3 4 7 cation 3 4 5 21 cation 6 4 5 7 9 11 21 rings 6 8 12 13 15 17 19 rings 6 9 11 14 16 18 20 rings > 22 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0387F64700000001 > 91.6244 > 30.619 > 10165383 225 18260836964643594037 10366900 7 18187642531586205219 104564 63 17844817975008702945 10498660 4 17895183394726948293 10670039 82 17748829592202240374 10759866 29 17822850862325226290 10906281 52 18200042879722426808 11595378 159 16153703185732938205 116883 192 17845107181527653588 12035759 4 18124035624614917130 12156800 1 10831792742355517605 12553582 1 17846785091948056446 12596602 18 15430324684503173861 12623949 98 17482860121899337095 12788726 201 18129108836112062714 12916748 109 17894919558901366398 13083527 12 10807059674774565963 13134695 92 17203608207338401392 14251751 93 18113900455110395829 14251757 17 18339927021766935844 14341114 328 14851609868706243989 14957384 54 15432825867445855301 15238133 3 18119794825341011289 17138139 8 16909158761635153609 17357779 13 17846785061846446412 18186145 218 18341895216194915906 19784866 9 18041831810296052530 204376 136 12035736439550169714 20645477 70 17703519869415789158 20775438 99 16695494287866094343 21033648 29 18410003351950300489 21315764 371 14129627760361090657 221357 26 18343581846010592997 23175994 123 18131362898682435743 23503958 25 18259980492203797541 23536364 44 18125450713333574372 238 59 17911477087693558613 25 1 18411419531274217538 3323516 105 18412549846307012298 3524813 1 18409162221244136997 392239 28 13046238211516756596 46194498 28 18263370354981707260 5161694 15 18272086101913214444 5281201 14 18410863187006423326 5283173 99 18408323289973049356 54672768 99 16886361474411414309 6049 1 18339356478538324841 6287921 2 17834114530334937109 6438718 38 16772689688955236881 7226269 152 18412254044020873240 7399639 24 17048792812529553226 7808743 9 17749668489726051837 81228 2 17469032723639283723 > 433.81 9.09 2.93 1.64 0.82 1.37 0.04 0.08 3.75 0.27 -0.97 0.34 0.83 2.23 > 934.168 > 240.5 > 2 5 10 $$$$