66045161 -OEChem-04182422343D 26 26 0 0 0 0 0 0 0999 V2000 -6.4219 -0.0996 -1.0637 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8621 -2.4337 0.5449 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3201 0.1040 -1.0836 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -0.0643 -0.9951 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 0.3240 0.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2319 0.3747 1.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8042 0.0872 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3305 0.1849 0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1556 0.2742 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2107 0.1951 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7231 -0.9561 0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8757 1.4516 0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0109 -1.0091 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1636 1.3987 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7312 0.1684 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8608 1.3326 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8796 -0.4024 1.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3638 -0.3573 2.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3767 1.3624 1.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6713 0.8167 -1.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6576 -0.9060 -0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3730 -0.5432 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3945 1.1925 0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4479 2.4189 0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4552 -1.9678 -0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7129 2.3243 -0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 3 15 1 0 0 0 0 4 8 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 10 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 M END > 66045161 > 0.6 > 1 282 192 272 72 157 110 170 126 238 297 182 185 214 241 302 104 20 253 108 234 137 16 9 148 215 295 322 281 248 198 147 201 271 101 36 128 225 236 318 145 291 41 188 218 82 65 47 301 255 239 169 249 91 93 10 242 159 308 160 233 183 24 269 14 127 181 276 18 235 178 122 6 207 223 131 292 177 193 167 309 273 199 140 186 264 221 259 303 112 124 216 229 230 243 28 33 280 39 277 220 113 180 320 246 98 286 164 95 213 26 15 211 165 312 202 143 319 13 306 30 252 210 263 191 56 307 21 71 311 313 134 4 97 278 88 209 296 27 57 224 184 114 87 125 89 227 142 175 262 195 53 120 168 144 75 222 266 228 226 267 37 268 293 94 275 111 59 189 50 161 135 69 244 304 231 68 288 197 155 102 129 117 163 194 258 156 172 62 300 245 106 287 283 7 54 196 203 48 116 154 321 23 174 74 55 217 32 139 119 315 11 109 43 121 85 146 29 61 103 187 317 153 176 2 179 45 274 92 237 51 171 205 5 35 90 73 270 251 84 133 130 67 70 46 105 151 34 138 200 3 115 22 76 64 63 289 149 44 152 123 19 66 257 204 81 60 247 40 12 80 107 212 254 79 206 99 261 173 38 132 150 8 158 166 310 31 86 49 42 96 240 219 118 298 162 83 78 136 305 25 52 316 17 299 260 314 208 285 190 290 294 256 100 141 58 232 77 279 284 250 265 > 17 1 -0.29 10 0.29 11 0.18 12 -0.15 13 -0.15 14 -0.15 15 0.18 2 -0.18 24 0.15 25 0.15 26 0.15 3 -0.18 4 -0.57 5 0.06 6 0.2 8 0.45 9 -0.14 > 5 > 2 1 4 acceptor 6 9 11 12 13 14 15 rings > 15 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 03EFC4E900000001 > 23.6126 > 10.148 > 10366900 7 18334296461634543049 10693767 8 18129666279781124974 11471102 20 18409451375479714272 117890 112 13623522451275217685 12236239 1 17704077278312765680 12616999 72 18335699416585298362 12730499 353 18187089459566869939 13760787 19 18343861122190940375 13836976 161 18411983567764505854 14115302 16 15626223545958540068 14251717 144 18410856533875527058 14251718 22 17821447976463296847 14252887 29 9223241745196746552 14528608 73 18408600383829494877 14576447 43 18059858342013889406 14911166 2 18411711993399282804 15048467 5 14129058127702073621 15375358 24 17313105246370713707 16945 1 18339376218767024208 17834072 33 18342452660638287839 17834076 25 15285357327766174797 18186145 218 18412541037497802264 200 152 18202284688909145473 20344682 1 17676211264461527022 20645477 70 18339358565850511967 21637258 2 16128374822884956868 22289505 5 18114170900806626549 22713019 99 18201167589738360814 23402539 116 16298389097241622626 23402655 69 18410012113451267873 23557571 272 16515679988502778455 23558518 356 17467627535141412680 23590187 302 18272650151441787841 25 1 18335707122152090906 2748010 2 17981343480101568208 2871803 45 18411700963142687809 29717793 49 17489874825478870181 300161 21 13334731341515692337 3060560 45 18408322194260146438 33382 64 15267075700755030022 3472631 163 15647061490254382439 4047638 21 17313106354161084984 42 15 11383832675658880337 465052 167 16916786340294744605 4990 188 17989213641602281519 522135 26 18343579638091356737 5374978 207 11963384142073202397 8272917 22 18269278971945819275 > 308.43 11.92 1.48 1.06 15.33 0.78 -0.06 -1.32 -5.51 -1.33 0.28 0.17 -0.03 -0.15 > 598.88 > 189.6 > 2 5 10 $$$$