6422124 -OEChem-04192404283D 38 40 0 0 0 0 0 0 0999 V2000 -5.5309 -1.1779 0.7139 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6471 -1.0467 -0.7561 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2621 0.7927 -0.6539 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0339 -0.2209 1.1652 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5095 0.9782 -0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7378 1.3737 0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4552 2.1240 0.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8277 -0.3026 0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -0.4954 -0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 -1.6861 0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 0.5101 -0.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4266 -1.8714 0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.3249 -0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -0.8658 -0.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8723 -0.2717 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8070 0.9376 -0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4714 0.1179 -0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2052 0.5426 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 -0.0742 1.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3574 0.3110 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4994 1.1900 -1.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0989 0.7716 1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5233 1.8686 -0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3794 3.1201 0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 2.0005 1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3484 -2.4837 0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1067 1.4483 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2701 -1.0403 -0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8143 -0.7502 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9504 -2.8010 0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7631 1.1209 -1.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4316 1.6764 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 1.4258 -1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0929 0.8769 -0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5033 0.5352 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2597 1.2442 -1.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1234 -0.4265 2.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3537 0.3788 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 3 20 1 0 0 0 0 3 36 1 0 0 0 0 4 19 1 0 0 0 0 4 20 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 11 13 2 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 M END > 6422124 > 0.8 > 1 235 284 48 247 140 135 167 227 254 186 9 267 93 51 236 220 123 273 4 280 281 175 213 62 188 222 264 244 57 138 212 225 55 147 74 155 101 279 139 276 206 42 237 45 159 285 8 160 241 270 122 80 252 202 115 282 184 111 131 173 53 2 277 157 158 182 195 134 263 59 149 63 250 205 218 58 118 200 253 91 286 199 46 171 256 215 137 208 154 119 223 92 185 56 27 259 76 109 177 96 251 15 70 5 278 266 132 110 174 44 85 224 94 141 274 16 268 146 38 189 30 81 69 178 219 64 234 166 249 86 191 136 72 269 203 168 209 214 245 19 197 194 107 231 233 88 265 32 114 193 34 145 176 179 47 36 153 226 87 3 271 52 162 65 288 172 238 240 24 130 40 79 67 180 104 108 196 275 82 257 124 151 283 61 289 113 6 163 152 75 187 258 125 133 7 243 164 43 181 261 201 216 78 190 217 23 50 230 116 248 121 148 29 126 77 71 112 41 143 90 228 161 192 25 22 128 83 129 100 54 144 150 105 37 156 272 221 17 103 11 20 73 246 14 255 66 207 120 239 21 35 28 99 12 106 97 262 39 229 169 287 260 33 98 127 49 89 26 232 198 211 117 13 102 60 95 68 183 142 10 18 31 210 170 204 84 242 165 > 31 1 -0.57 10 -0.15 11 -0.15 12 -0.15 13 -0.15 14 0.08 16 0.18 17 0.28 18 -0.33 19 0.08 2 -0.36 20 0.04 21 0.1 22 0.1 23 0.1 24 0.1 25 0.1 26 0.15 27 0.15 3 0.03 30 0.15 31 0.15 36 0.27 37 0.15 38 0.15 4 -0.57 5 -0.1 6 -0.2 7 -0.2 8 0.48 9 0.09 > 7.6 > 6 1 1 acceptor 1 2 acceptor 1 3 donor 3 3 4 20 cation 5 3 4 18 19 20 rings 6 9 10 11 12 13 14 rings > 20 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 0061FE6C00000001 > 48.5433 > 30.446 > 10 15 18113905961174261325 10299344 5 17676205780426495834 10319926 262 18338509854236693778 106641 1 18041006146484273625 11089746 13 18130500911636448156 11315181 36 18113620127343497135 12091667 2 18202281424902805551 12236239 1 17676488371503853388 125118 31 18202282524647139808 12616971 3 16588027947867825526 13167372 99 18411139143261868748 13288520 33 8214140751354819559 13533116 47 16916795042173293286 13540713 5 17461459180483788207 13668630 136 12396297037447854928 13673619 4 11386372547477131111 13685833 64 13623531255757753212 13740256 8 7997964670326402887 14123256 10 12175620676949616685 14123256 34 14201398253341989662 1420 363 13840264788706835004 14251718 22 9871753494404644548 14251757 52 18341050822274248688 14251764 18 18113900480769455519 14341114 176 17603583041596108340 14350574 20 11458425743209870534 14729087 3 17989203737550401072 14767858 380 11815893448694156309 15348495 7 18270395130945683426 15461852 350 18059572533768579775 155225 5 17914341178014170849 15537594 2 14634859886301554432 15716309 27 16298386855163172972 20281389 69 18411138069240366056 20554085 129 16916773060182830310 21033648 29 17774705550959588232 21150785 3 14549013282664526581 21623969 137 14490469768821383832 220451 1 17530683230236132354 22896161 15 8430312433788255046 23035841 295 16732697264471710538 23081809 10 18187365484377664670 23198884 109 14189578533286804029 23402539 116 18271801354229420703 23424782 7 8213846081869382150 23522609 53 17605017908138543292 246663 6 13695589932043154184 2767999 5 17346880052620470816 2838139 119 17846492638914098553 300161 21 16845289441030771206 5104073 3 17968384570725119368 5385378 56 18339080380887497210 59755656 520 18409724071512123743 636775 72 18131349696001376753 636775 8 8430306978563169600 7226269 152 18341895182141295217 999808 66 13695591035607279817 > 389.89 21.03 1.59 0.97 21.46 0.07 -0.09 -8.14 -5.99 -2.69 -0.22 0.54 -0.04 -0.44 > 829.15 > 220.2 > 2 5 10 $$$$