20853682 -OEChem-04262416033D 45 47 0 0 0 0 0 0 0999 V2000 7.0373 -3.2070 0.0546 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.2024 0.3062 1.7212 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1826 2.2701 -0.9764 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8739 0.0029 -0.8991 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5091 -1.6666 0.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9859 0.6212 1.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3641 0.3453 -0.0427 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6536 0.2364 0.6225 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4387 1.7492 0.5574 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8361 1.4766 0.3014 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4408 -1.6358 1.4983 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3989 0.6110 1.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1076 -0.4028 1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 0.1627 0.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3076 0.2463 0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3271 -0.4722 0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 0.0227 -0.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5971 0.9947 -0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7809 -0.0490 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1506 -1.2720 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9339 0.6628 -0.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4874 -1.6040 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0511 -0.0072 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6361 -0.3760 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3789 -0.6366 -0.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1764 -0.2926 -0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7615 -0.6615 -2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0315 -0.6198 -1.6951 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2623 3.1950 0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6512 1.6161 1.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5382 -0.0901 2.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 1.3089 -0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 0.4650 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 -2.0727 0.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2392 -2.3892 1.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3785 -1.8871 1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6342 1.4109 -1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6886 -0.4296 -2.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4233 -0.8810 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1652 -0.2600 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6501 -0.9165 -3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9077 -0.8421 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3046 3.3414 0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6713 2.8489 0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8585 4.1532 -0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 18 1 0 0 0 0 3 29 1 0 0 0 0 4 15 2 0 0 0 0 5 16 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 32 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 19 23 1 0 0 0 0 19 24 2 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 25 2 0 0 0 0 21 37 1 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 24 27 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 26 28 1 0 0 0 0 26 40 1 0 0 0 0 27 28 2 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 M END > 20853682 > 1 > 2 86 306 155 274 232 204 316 315 147 320 160 253 211 17 77 256 291 324 116 259 241 266 254 184 143 109 70 278 219 169 233 191 91 102 321 40 260 313 317 286 175 293 283 234 149 61 192 224 105 282 323 319 134 127 100 251 277 309 181 257 16 35 227 152 15 265 225 24 289 57 58 279 83 11 210 28 72 33 98 288 42 235 280 121 318 220 145 52 239 199 304 207 198 236 284 84 308 94 177 205 104 1 79 120 276 14 217 290 264 110 117 261 21 281 176 97 13 22 248 148 36 87 271 162 48 183 158 213 258 231 212 69 154 163 310 138 314 222 88 18 238 230 146 294 193 103 136 96 246 135 20 208 285 64 107 82 197 287 168 41 39 59 209 312 125 249 93 43 272 27 228 51 118 153 44 300 174 89 203 170 156 171 73 157 182 299 269 298 131 180 187 305 34 46 66 215 221 164 119 240 303 167 297 252 54 302 9 129 114 173 133 196 76 237 185 101 295 122 218 90 25 186 130 65 223 150 63 159 161 226 31 194 49 10 75 179 268 137 255 189 165 47 188 12 124 106 244 202 139 229 45 311 26 53 99 128 245 78 263 172 74 142 296 32 216 68 270 322 144 195 23 111 141 292 62 115 29 166 273 243 307 190 267 178 123 37 140 81 151 214 262 126 67 38 7 4 206 55 301 250 247 19 50 275 132 60 5 95 30 108 80 8 85 242 200 113 201 3 6 56 112 92 71 > 40 1 -0.18 10 -0.23 11 -0.88 12 0.32 13 -0.07 14 0.14 15 0.57 16 0.72 17 0.12 18 0.08 19 0.12 2 -0.19 20 -0.15 21 -0.15 22 0.18 23 0.19 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 0.28 3 -0.36 32 0.37 33 0.37 34 0.15 35 0.4 36 0.4 37 0.15 38 0.15 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.15 5 -0.57 6 0.31 7 -0.55 8 -0.55 9 -0.42 > 8 > 10 1 11 cation 1 11 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 7 donor 1 8 donor 5 6 9 10 13 14 rings 6 17 18 20 21 22 25 rings 6 19 23 24 26 27 28 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 14 > 013E33B200000002 > 82.0794 > 50.747 > 10299344 5 17989207044970390687 10533779 47 12607133971574050831 11135926 11 18261115141239013411 11386260 185 18259990383988475124 11408170 132 18262788584977817893 11524674 6 13614518576462853637 11991303 11 17894917372932643179 12082328 90 18334014969984118081 13533116 47 18409451376112775312 13540713 4 17972887135407680137 13540713 5 17973720273121553697 13673619 4 16056876940458484275 13685833 64 14189576342515931407 13885169 127 15841838824532982075 14068700 675 17346881156691233017 14344974 204 14404037258947503669 14347424 109 8862949368602581724 14767858 380 18411699880969100435 150020 25 17603585223202221671 15119646 104 18131073701344334910 15183329 4 18412260640663527391 15198563 99 17822289020595642821 15419008 47 17095520708006244781 15849732 13 17312825987159680703 18335252 114 18186517717920914740 20157964 124 18334580153320500892 20554085 129 15791726421275373808 21150785 3 18272370884020056445 21315759 40 17846501404852380274 21521239 73 18410855439302607146 21521721 280 18259705618538924353 22224240 67 10592040258857420933 22956985 138 16698948695861187374 23035841 295 17632858620721990443 23081809 10 18130795554956605873 23522609 53 17773904002356455865 23559900 14 18338515373739557329 23576562 1 17750231586262008951 3004659 81 17775279495960721681 335352 9 18334304154749144998 3663271 9 8142079862439159525 44317340 157 18336267950433885372 5219985 9 17917992772024845265 5283156 175 18202566150879582698 5470011 282 18411415146397185623 5758199 1 11602539814884431521 59682541 35 14117792518821728102 5969126 39 18411980226723626101 6081469 158 17313104121311068654 > 543.91 27.5 2.16 1.45 21.59 0.26 0.26 -7.08 10.6 -6.62 -0.03 2.59 -0.16 -1.95 > 1165.292 > 301 > 2 5 10 $$$$