9566279 -OEChem-04192408493D 38 40 0 0 0 0 0 0 0999 V2000 -2.6954 -1.4605 2.2883 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8825 -4.0537 1.7943 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.1892 1.2483 -0.1364 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6762 0.9124 -0.0626 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8118 -0.0600 -0.0822 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3573 3.0990 0.2264 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2964 0.2104 0.0351 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9759 -1.5231 -0.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7314 -0.0523 -0.3094 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6095 1.4599 0.0487 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3059 -0.8235 -0.2562 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1315 -0.2780 -0.0578 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4000 0.0418 -0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9637 1.3623 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5835 -1.1362 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1273 2.0815 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1935 -1.9113 0.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1832 -1.4938 -1.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4395 3.5041 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6381 1.8924 0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4032 -3.0440 0.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 -2.6263 -1.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0027 -3.4014 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9075 0.9215 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4996 0.5213 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4539 2.1400 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 0.5579 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8507 1.9114 0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4759 -0.9018 -2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0447 3.8577 1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9985 4.1080 -0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5197 3.6820 0.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0799 -2.9038 -2.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3859 -4.2800 -0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9471 3.0872 0.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6338 2.6470 0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0747 -1.4815 -0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -1.1937 -0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 21 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 4 10 1 0 0 0 0 4 20 1 0 0 0 0 5 24 1 0 0 0 0 5 27 1 0 0 0 0 6 20 2 0 0 0 0 7 12 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 25 2 0 0 0 0 11 25 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 26 28 1 0 0 0 0 26 35 1 0 0 0 0 27 28 2 0 0 0 0 28 36 1 0 0 0 0 M CHG 2 7 -1 12 1 M END > 9566279 > 0.8 > 1 281 30 377 383 215 267 276 318 315 110 349 176 101 9 325 370 5 305 226 328 70 324 137 334 293 313 338 335 322 364 248 190 378 47 385 396 302 355 96 131 331 140 368 172 394 113 373 346 237 319 393 310 103 306 294 361 74 317 212 98 37 234 297 179 353 333 214 389 40 143 340 363 240 279 18 156 354 162 147 347 39 251 314 139 4 253 258 386 275 327 274 80 309 105 229 326 316 136 210 359 390 21 283 31 54 307 269 203 129 63 232 66 380 323 170 371 198 106 287 56 3 153 291 329 343 311 344 289 261 51 35 298 259 191 82 238 59 381 356 398 296 245 195 154 222 174 155 184 57 252 206 189 92 224 199 376 320 230 109 164 243 268 16 351 337 6 379 282 227 303 81 278 165 336 7 270 60 10 272 200 299 308 182 254 175 90 11 94 127 128 250 197 375 13 27 218 86 58 330 360 342 102 44 397 76 223 285 24 67 178 221 345 208 15 288 219 280 348 205 183 277 112 72 256 225 357 100 43 89 186 71 188 117 55 292 387 284 61 65 262 273 95 2 149 304 216 45 246 366 163 93 26 257 29 166 118 69 295 111 157 152 231 97 144 99 341 264 395 392 201 374 321 108 123 271 211 369 125 79 213 87 235 133 46 181 104 151 148 119 62 192 126 196 41 75 53 48 52 177 286 209 88 28 138 362 122 228 121 84 217 372 159 168 352 384 194 167 34 180 115 150 124 158 141 193 391 68 300 14 290 266 312 255 220 260 173 263 8 187 367 78 301 17 339 265 135 120 12 358 382 207 73 239 249 332 77 350 20 185 236 134 247 146 130 132 22 142 233 244 91 42 23 204 49 388 145 19 25 85 365 107 171 160 38 116 202 32 64 36 33 83 114 50 169 161 241 242 > 35 1 -0.18 10 -0.51 11 -0.85 12 0.96 13 0.23 14 -0.09 15 0.05 16 -0.04 17 0.18 18 -0.15 19 0.18 2 -0.18 20 0.81 21 0.18 22 -0.15 23 -0.15 24 0.05 25 0.58 26 -0.15 27 0.22 28 -0.15 29 0.15 3 -0.02 33 0.15 34 0.15 35 0.15 36 0.15 37 0.4 38 0.4 4 -0.09 5 -0.28 6 -0.57 7 -0.52 8 -0.52 9 -0.41 > 6 > 11 1 11 donor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 7 anion 1 8 acceptor 1 9 acceptor 3 10 11 25 cation 5 3 9 13 14 16 rings 5 5 24 26 27 28 rings 6 15 17 18 21 22 23 rings > 28 > 0 > 0 > 1 > 0 > 0 > 1 > 2 > 0091F84700000001 > 60.1345 > 55.915 > 10411042 1 17980195619769342463 10483366 6 18058148700919203319 107951 10 18334016077505964523 11315181 36 17060340760250022256 11370993 144 18408881863138252214 11524674 6 17489301971573094364 12788726 201 18193541480083477931 13135754 10 17241910841521841091 138480 1 17403176998120665855 14659021 117 17981304987919333458 15042514 8 18265336303848334979 15131766 46 15938401384042110084 15361156 5 18341339985083430294 15927050 60 18410009893386400667 16719943 64 18409446968838429082 17844677 252 18265621051553234492 20554085 129 17914591896824409569 21065198 57 18340766056919864752 21133410 171 17118539066145476422 21133410 52 15535858336595310036 23559900 14 18341325682705788224 23728640 28 18340485681406964823 249057 3 18410011035742050612 3383291 50 18336260262485241179 3411729 13 18051416167852232561 4015057 19 17845355808088926761 4073 2 18335701702573373928 484985 159 17968652851678854763 497634 4 16516537757648528038 5104073 3 18339354271410750408 5265222 85 18341620360480006068 5309563 4 16968582373878326475 5364581 5 17912343619089902000 559249 180 18411415077682918052 59755656 520 17967529077606191402 6138700 20 18412260645306433615 70251023 43 17405695364995746631 7288768 16 17967251979359807515 9981440 41 18337961104046766787 > 524.83 12.45 4.47 1.28 24.71 1.74 -0.2 -5.67 0 -4.64 -0.82 -1.25 1.48 0.28 > 1132.227 > 290.9 > 2 5 10 $$$$