67944458 -OEChem-04252423123D 36 37 0 1 0 0 0 0 0999 V2000 -1.3485 1.3892 1.2903 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8471 2.3393 -1.2827 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7779 -3.4100 1.0667 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1971 3.0052 -0.3675 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1118 2.6081 1.4746 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3341 -0.1867 -0.6243 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3714 0.9140 -0.0172 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5134 2.5474 0.1069 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8423 0.4391 -0.6413 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3921 -1.0419 -0.8778 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2386 -1.7309 -0.9095 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0567 -1.3961 0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4155 -0.9783 -0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9906 -0.5803 -0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -0.9825 -0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0387 0.1819 0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3253 0.1116 -0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2176 -2.6141 0.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5556 1.1524 -0.1571 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5863 -2.2004 0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 -3.0162 0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5440 -1.5593 -1.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1467 1.3702 1.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0738 1.3131 -0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1411 2.3253 0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7765 0.3583 -0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6138 -2.5181 0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7524 -3.9644 1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4467 -1.0392 -1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6366 -2.6257 -1.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3865 -1.4045 -2.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0637 1.2873 1.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4436 2.3597 1.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6107 0.6219 1.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 2.6835 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4878 2.6266 0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 19 1 0 0 0 0 3 18 1 0 0 0 0 4 25 1 0 0 0 0 5 25 1 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 7 17 1 0 0 0 0 7 25 1 0 0 0 0 8 24 1 0 0 0 0 8 36 1 0 0 0 0 9 24 2 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 2 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 18 21 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 25 35 1 0 0 0 0 M END > 67944458 > 0.8 > 1 135 63 228 99 226 222 154 94 126 82 230 120 190 208 227 186 160 83 216 165 157 89 212 140 139 51 97 60 158 81 203 224 159 185 169 231 220 115 40 30 113 211 180 223 225 201 142 35 117 131 177 133 136 48 164 123 145 66 125 41 37 75 218 46 132 206 219 195 182 152 176 229 106 194 124 161 107 47 65 96 114 64 98 38 204 221 162 147 174 104 148 43 150 31 138 86 102 192 36 57 110 130 45 54 23 197 151 80 193 34 196 232 156 85 11 9 167 87 73 178 189 33 137 215 119 84 205 76 18 24 71 53 163 122 188 32 217 172 25 171 183 2 79 111 78 210 143 214 68 168 191 146 52 4 91 173 44 179 69 213 200 118 108 67 109 93 129 58 62 42 105 149 198 61 209 127 141 184 166 13 112 202 56 72 12 103 144 121 90 207 170 5 181 134 70 155 153 7 92 39 21 128 26 74 50 199 77 175 100 19 59 101 16 8 116 88 20 55 6 3 187 10 29 95 14 28 49 27 15 22 17 > 28 1 -0.12 10 0.31 11 -0.71 12 0.05 13 0.23 14 -0.15 15 0.08 16 0.12 17 -0.09 18 0.19 19 0.63 2 -0.29 20 -0.15 21 -0.15 22 0.26 24 0.66 25 0.96 26 0.15 27 0.15 28 0.15 3 -0.19 36 0.5 4 -0.34 5 -0.34 6 -0.36 7 -0.34 8 -0.65 9 -0.57 > 6 > 8 1 11 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 3 8 9 24 anion 5 10 11 13 16 17 rings 6 12 14 15 18 20 21 rings > 25 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 040CC00A00000001 > 67.4454 > 40.672 > 10369192 42 12326239618649697462 10382601 240 17895191057017104266 10498660 4 18131068229513743296 12769317 202 18339916022372008632 12788726 201 17466806191355382330 13103583 49 8141817109055729903 13140716 1 18261674753448872971 13464514 151 18412548708578652114 13583140 156 17753907013009759817 13590594 115 17616256884074423826 13878862 14 17826776059208492277 13965767 371 17967523584981310244 14251764 38 18196374951565574396 14251764 75 18270691848514310793 14739800 52 18127951166210656930 14767858 380 18194949971621683391 14787075 74 18266460004531754315 14790565 3 18261964032729606076 14848178 96 18410006611445434224 17980427 23 17982700044858131754 19784866 34 18336546032264943971 20510252 161 17758405454091880914 20715895 44 17763739889478658953 20739085 24 17896044252265011140 21279426 13 18343309141620825604 21864079 5 18410295778898313723 22393880 68 18202279208293648100 22950370 63 9655585127691340288 23559900 14 17559390249759714966 23845131 108 18114187402229389491 2838139 119 18342454889673670964 3472631 163 18271807852968886557 350125 39 18190740839330781180 38570 142 18196395657095940972 394222 165 18263921047246470963 4258327 124 16807581822916101462 469060 322 18190761893292264841 474 4 18260831500896567262 5048184 11 18410579478520462232 5104073 3 18114185181614889219 59124914 9 18408887326415721760 6034566 193 17897468274020440932 6328613 192 18044100271137425980 633830 44 18338514140646262159 67856867 119 18339631253392687570 7288768 16 18040157326927177531 84936 182 18412820266090663850 9981440 41 18337106877774646402 > 462.97 11.19 3.78 1.19 2.36 0.42 -0.04 -9.43 2.32 -1.07 -0.85 -0.42 -0.12 -1.64 > 973.082 > 264.2 > 2 5 10 $$$$