4465355 -OEChem-03282419293D 35 34 0 0 0 0 0 0 0999 V2000 6.8422 -0.3117 -0.0575 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9194 0.3438 -0.0568 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6009 -0.4698 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6437 0.4207 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 0.3687 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9254 -0.4141 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1619 -0.4702 0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1693 0.4760 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4418 0.3710 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4481 -0.3571 -0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7155 -0.4776 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 0.5201 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6022 -1.1202 0.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5775 -1.1209 -0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6319 1.0875 -0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6271 1.0559 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8764 1.0588 0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8915 0.9866 -0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9313 -1.0625 -0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9478 -1.0680 0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 -1.0719 0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1598 -1.1745 -0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1367 1.1449 -0.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 1.1092 0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4158 1.0048 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4631 1.0458 0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4744 -1.0558 0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4633 -0.9795 -0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7072 -1.1392 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7481 -1.1126 0.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 1.1183 0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7162 1.1977 -0.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9148 0.9226 -0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7381 -0.2587 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8285 -0.8897 0.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 35 1 0 0 0 0 2 11 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 M END > 4465355 > 0.8 > 1 176 56 44 187 314 375 6 23 206 323 157 370 5 343 14 121 150 380 224 166 79 137 333 48 363 184 274 313 244 95 60 361 32 61 290 7 325 293 272 263 12 376 113 98 38 287 55 218 103 365 24 201 372 257 186 33 381 43 330 156 239 317 382 71 132 377 145 123 27 170 248 320 262 346 2 195 16 45 299 311 53 97 144 327 316 266 118 81 77 329 369 309 39 10 152 298 8 114 51 178 374 76 282 74 324 19 155 296 289 125 292 265 141 104 18 337 49 362 102 209 328 203 221 50 13 384 383 304 226 142 171 190 341 20 315 348 281 322 252 146 67 344 68 40 338 140 163 245 143 223 358 173 139 342 217 379 54 66 160 303 386 9 308 240 89 96 294 318 69 161 134 58 108 270 208 41 135 188 162 99 354 261 88 366 192 101 52 356 177 133 119 378 15 148 214 131 82 307 57 267 21 258 211 340 122 276 264 75 73 35 93 360 230 36 185 175 182 22 34 158 251 295 345 59 347 138 334 200 47 312 260 357 116 202 225 11 196 198 353 64 169 179 220 37 371 42 268 350 210 331 284 110 62 115 31 165 4 117 164 335 70 249 87 277 154 233 321 167 28 199 275 183 228 241 355 72 286 352 216 385 212 194 3 172 63 92 204 319 80 84 305 364 107 29 168 126 26 367 100 301 90 306 349 222 254 351 243 128 94 238 326 297 300 219 130 373 127 91 112 25 147 197 231 247 180 83 288 368 259 17 46 246 106 234 30 174 237 129 256 359 181 291 120 189 78 236 280 279 232 205 136 271 193 153 235 85 336 255 339 332 229 159 65 191 310 278 242 269 253 105 213 283 273 207 227 285 109 111 250 151 215 86 124 302 149 > 7 1 -0.68 11 0.27 12 0.28 2 -0.99 33 0.36 34 0.36 35 0.4 > 9 > 4 1 1 acceptor 1 1 donor 1 2 cation 1 2 donor > 12 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 004422CB00000001 > -4.0054 > 20.297 > 12091667 2 18333732421260263235 13533116 47 16877930612891856184 14123238 8 18410856559639789578 1420 363 18410579491299674051 14251764 46 17275385404441398374 17834076 25 18410292514469714274 187816 3 15985387793652781379 20621476 8 18261393308668275861 20645477 70 18200878357513286878 20767249 213 17313105262991393956 23402539 116 18131346427535551381 23521765 1 18341895194640646149 33684 2 18410854356321579723 42788 4 18411138039196401584 8209 1 18411418414777457597 > 236.1 18.24 0.78 0.6 0.77 0 0 -0.3 -0.43 -0.01 0 0.01 0 0.03 > 417.323 > 154.3 > 2 5 10 $$$$