26176 -OEChem-10091910013D 35 34 0 1 0 0 0 0 0999 V2000 -3.3924 0.7336 -2.3018 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3915 2.5115 -2.2971 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0229 -3.3084 -2.2772 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0077 0.0147 0.6231 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -0.0103 -0.0427 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7208 1.2920 -0.0573 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7607 -1.2429 -0.0503 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 0.0190 2.1256 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4023 1.0377 0.2207 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0917 1.5162 0.2240 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2980 -2.5507 0.2399 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6936 0.7684 -0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 2.7525 -0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1569 -3.5583 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6606 1.0886 1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2516 1.7118 1.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3945 -2.7753 1.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9671 1.9878 -0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6757 0.6461 -0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7463 -2.6444 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4430 1.5417 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1119 -0.2080 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6071 2.9796 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9465 3.6248 -0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8509 -4.5867 -0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2156 -3.4413 -0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5515 1.6855 1.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7982 0.0872 2.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8321 1.5698 2.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2143 2.1805 1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4543 2.3361 2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2517 0.7532 2.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3422 -3.8433 1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -2.3742 2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4452 -2.3107 2.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 M END > 26176 > 0.8 > 1 462 380 313 294 418 288 447 442 2 448 452 450 202 404 413 398 88 421 437 8 436 390 291 154 72 336 228 346 424 203 255 445 458 245 461 92 412 262 353 199 293 86 443 407 79 120 201 339 438 12 146 393 186 405 368 148 422 319 97 396 281 68 335 384 85 417 328 174 463 388 62 387 256 55 377 175 340 420 402 430 264 381 283 215 350 301 362 287 111 406 365 414 129 164 266 428 162 355 121 416 96 314 329 158 296 373 181 379 65 374 249 290 185 392 110 431 106 449 231 216 455 454 31 324 465 261 254 280 466 160 403 270 223 351 331 257 14 426 389 297 286 49 219 434 259 225 410 427 383 342 253 208 117 460 81 277 258 170 63 432 391 9 409 155 399 338 139 385 43 386 263 145 250 193 163 214 189 226 356 273 100 165 57 457 325 4 441 75 440 107 429 153 453 251 303 140 172 330 73 238 446 90 423 260 323 17 370 345 59 415 300 419 240 467 168 308 243 235 375 271 401 382 171 364 13 435 48 114 360 83 433 25 295 184 312 87 334 130 322 408 195 74 315 456 103 232 318 317 411 125 157 143 285 357 141 101 144 425 347 34 122 237 99 93 395 192 119 24 327 104 123 77 205 198 267 230 248 80 190 29 50 269 272 46 102 369 64 282 108 316 220 242 197 292 26 344 236 284 310 51 274 378 27 376 159 332 53 221 98 444 11 459 227 41 400 289 112 126 222 147 128 218 21 89 239 32 234 366 91 348 70 113 173 372 69 188 28 135 136 244 42 178 224 133 66 265 207 33 241 67 343 321 22 94 305 61 76 363 84 278 15 191 196 464 58 252 304 71 371 137 176 268 211 276 167 6 182 341 124 177 105 279 358 352 354 54 306 37 299 20 5 200 187 213 131 439 38 118 161 361 204 311 10 44 275 210 19 298 302 451 349 56 209 333 217 320 359 45 156 326 194 109 229 180 233 18 397 132 30 40 95 307 39 35 152 3 138 169 212 247 52 142 150 206 16 337 47 246 36 166 23 82 60 183 367 394 309 7 179 115 151 78 134 127 116 149 > 14 1 -0.29 10 0.28 11 0.28 12 0.29 13 0.29 14 0.29 2 -0.29 3 -0.29 4 1.51 5 -0.55 6 -0.55 7 -0.55 8 -0.7 9 0.28 > 9 > 1 1 8 acceptor > 17 > 0 > 3 > 0 > 0 > 0 > 1 > 1 > 0000664000000001 > 25.9413 > 5.074 > 133893 2 18337672993023550905 13681431 1 18122343475861041179 13931106 250 17625825238133643982 14004458 79 17260449891681756774 14181834 199 18125415558746765699 14817 1 14587663014207531666 14863182 85 17485606525919842647 15906896 17 17828758783162057498 1813 80 17624422978445753671 20361792 2 17764586513178364675 20645476 183 17970623206638083016 20671657 53 17832684791783130623 20711985 344 17473548422304811330 21304303 282 17035519439207514069 21421566 26 16977321842225628686 21524375 3 17896596374263572257 22889148 1 17835519697230169596 23419403 2 16819189212403984338 23526113 38 17679323887205935611 23557571 272 17191512720418683656 23598288 3 17756419718742930232 23598291 2 17769948870110234449 26353 1 17689998933835690646 3060560 45 18264465369889253556 57210444 14 17979395058991466844 5845 1 8695312211628978291 7364860 26 18128524990572975619 81228 2 17545884192441694930 > 335.83 4.67 4.54 2.5 4.37 4.49 -0.75 -4.55 -1.85 -4.27 -1.76 0 0 -0.05 > 592.863 > 223.2 > 2 5 10 $$$$