132862 -OEChem-04252423053D 29 28 0 1 0 0 0 0 0999 V2000 3.3073 -0.6190 1.7506 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -1.4559 -0.3018 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8501 -0.4142 -0.3973 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2459 0.8946 -1.5481 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8519 -1.4186 -0.8165 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7812 0.5823 0.5011 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5556 1.1933 0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5209 0.1928 -0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0131 0.8524 -0.1048 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9050 0.5456 0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4103 -0.5238 0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2192 -0.3623 -0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2299 0.5329 0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3177 2.1958 -0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4528 1.2463 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7546 -0.8182 0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5666 0.1591 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6851 1.5803 0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9701 0.5667 1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1585 1.5461 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4753 -1.1807 -0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9501 1.7982 -1.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6729 0.1972 -2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5636 -1.5088 2.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3258 -2.1098 -1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8569 -1.5452 -0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7342 0.6089 -0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5549 1.3849 1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5506 -0.3772 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 24 1 0 0 0 0 2 11 2 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 12 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 M END > 132862 > 0.6 > 1 177 49 360 63 11 341 96 399 217 363 30 357 59 161 367 287 373 192 237 254 376 97 372 283 50 140 108 277 292 324 162 279 19 379 211 375 362 200 51 336 265 236 60 328 128 184 369 123 210 272 224 340 163 133 325 270 387 259 124 323 164 386 21 295 377 7 359 246 54 303 242 274 160 350 393 100 173 33 143 244 269 84 190 25 371 260 107 24 223 361 52 366 130 180 35 301 398 38 383 233 382 101 309 314 353 385 43 312 300 243 205 288 186 368 253 137 10 27 248 286 165 189 131 261 317 9 119 391 285 231 181 12 278 74 352 8 294 154 193 334 88 291 320 155 92 228 171 76 394 5 93 358 345 258 153 397 344 40 316 273 146 297 32 245 213 167 282 125 199 14 139 80 58 148 396 252 34 322 332 293 212 206 263 196 251 241 94 82 145 17 197 103 209 380 89 18 351 284 222 65 381 102 218 29 182 86 331 276 112 98 23 179 239 227 226 20 304 152 249 194 149 22 229 202 127 6 337 378 172 39 166 364 219 169 150 355 207 208 400 306 275 66 390 71 250 114 83 13 55 195 129 267 3 75 335 46 342 268 141 48 87 116 57 45 203 70 135 298 349 216 16 78 370 262 73 338 326 240 310 42 37 81 2 90 31 176 389 315 290 238 134 388 144 122 85 56 307 118 168 77 266 121 61 157 67 117 232 204 220 235 333 264 395 356 178 15 313 159 44 170 28 308 26 53 104 62 296 321 175 348 136 198 289 147 234 105 69 201 106 215 346 47 142 330 281 319 214 183 174 187 99 339 158 79 256 95 247 299 384 64 41 132 318 72 188 257 280 327 255 156 115 191 225 271 343 354 36 151 4 68 120 185 230 374 113 111 138 109 221 392 311 91 110 365 126 329 305 302 347 > 17 1 -0.65 10 0.37 11 0.66 12 0.55 13 0.25 2 -0.57 21 0.4 22 0.36 23 0.36 24 0.5 25 0.4 26 0.4 3 -0.82 4 -0.99 5 -0.85 6 -0.7 9 0.33 > 6 > 8 1 1 acceptor 1 2 acceptor 1 3 donor 1 4 cation 1 4 donor 1 5 donor 3 1 2 11 anion 4 3 5 6 12 cation > 13 > 1 > 0 > 0 > 0 > 0 > 1 > 3 > 000206FE00000001 > 19.3968 > 40.711 > 13675066 3 16702022002147380029 13760787 5 18113335332045849989 14252887 29 18409162191453438898 177051 138 18342735217514266302 18186145 218 17385722512679504155 20281475 54 18411697711994843727 20645477 70 17603588512957292482 22169311 21 15482673498105870477 22485316 2 18272650172942880925 23402539 116 17560795512479194205 23559900 14 16916798391567119900 300161 21 18409725192366498069 42 15 18201718435761817971 4990 188 13912600533200457032 522135 26 17675926490897152800 5374978 207 16128657435653513019 573450 72 18272645758191241387 6430166 295 18202003192700438145 > 235.87 10.4 1.22 1.07 7.9 0.21 0.1 1.08 1.07 -0.29 -0.12 -0.94 0.02 -1.01 > 443.47 > 146.3 > 2 5 10 $$$$