4677380 -OEChem-09042101373D 26 25 0 1 0 0 0 0 0999 V2000 0.5732 -0.2210 1.5465 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2454 1.0978 -0.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0077 -1.1814 0.4585 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3996 -0.4169 0.3167 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5768 -1.1560 -1.3059 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8798 0.1839 -0.2152 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0554 2.5522 0.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 1.1775 -0.2849 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9876 -0.5770 0.3126 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7764 0.8262 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3273 0.2984 0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9052 -2.0227 -0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3261 0.0284 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0977 -0.5894 -0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 1.0910 -1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9324 -0.5389 1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4786 1.4935 -0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9453 0.9163 1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9956 0.6429 -1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9692 -2.0892 -1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -2.4835 0.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7239 -2.6193 0.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1794 2.6443 1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0845 2.7899 -0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1311 1.4524 -1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1971 -2.1042 0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 13 1 0 0 0 0 2 25 1 0 0 0 0 3 14 1 0 0 0 0 3 26 1 0 0 0 0 4 13 2 0 0 0 0 5 14 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 M END > 4677380 > 0.6 > 13 345 19 355 232 343 360 34 247 369 71 262 159 235 364 73 40 166 374 74 346 238 33 2 286 278 402 366 92 36 362 188 356 373 43 124 244 379 219 265 147 393 37 376 32 241 405 301 380 131 371 12 330 15 397 171 314 125 370 177 350 58 61 354 178 144 169 279 221 331 210 107 392 146 375 135 70 259 122 160 260 153 212 300 337 323 336 272 391 141 194 119 75 332 55 115 214 143 218 89 65 389 381 157 53 102 358 4 271 291 151 128 277 113 236 117 292 56 252 84 275 123 363 164 342 348 349 310 202 41 318 154 398 9 359 302 285 139 240 400 261 149 344 47 293 118 127 112 23 108 121 368 46 396 325 220 186 294 312 283 324 148 289 54 21 197 152 136 184 199 266 83 87 315 69 39 258 401 109 213 183 357 268 245 239 403 290 377 7 385 207 30 203 256 303 320 8 29 309 133 126 181 297 174 253 395 165 255 282 307 322 248 140 229 60 233 269 20 390 18 328 313 254 237 163 347 5 353 168 308 276 99 270 352 155 110 211 367 192 231 129 82 196 281 96 161 26 27 195 334 193 298 45 167 185 51 273 24 205 156 305 263 80 249 246 145 158 67 91 172 250 150 173 200 386 394 341 137 6 44 49 295 48 191 243 78 361 388 22 105 111 304 222 25 179 242 365 234 339 372 176 201 101 95 88 351 3 104 35 264 216 90 287 335 198 86 77 182 76 284 162 329 175 206 217 79 319 267 327 130 62 321 208 387 68 14 66 189 28 17 227 103 57 257 134 100 142 97 42 72 399 384 404 340 274 225 311 38 326 190 226 204 116 187 230 333 383 120 63 11 316 10 209 106 132 98 280 1 306 296 180 224 288 215 299 81 93 378 94 338 114 251 85 59 52 317 50 138 223 64 170 228 16 382 31 > 18 1 -0.57 10 0.06 11 0.57 13 0.66 14 0.66 19 0.37 2 -0.65 23 0.36 24 0.36 25 0.5 26 0.5 3 -0.65 4 -0.57 5 -0.57 6 -0.73 7 -0.99 8 0.33 9 0.36 > 6 > 10 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 donor 1 7 cation 1 7 donor 3 2 4 13 anion 3 3 5 14 anion > 14 > 0 > 2 > 0 > 0 > 0 > 1 > 2 > 00475F040000000D > 17.1009 > 50.867 > 10130415 120 18131919268740685049 10922523 26 18410294743726539661 11031198 65 16950281793239424339 11062470 55 13901908903675364667 12932764 1 18196384829509761421 13705890 14 18412546535061092472 14252887 29 18202287974717551082 14350558 41 18060146448388424142 14648413 74 18267303329459368865 18186145 218 18410299107334184555 18511873 20 18343022198607434435 190213 19 16588024619320632319 1986462 14 18113337496925599431 20201158 50 18201443558108471494 20233049 118 18113892715494919212 20339313 130 18343025501221163233 20645477 70 18342742922701634214 20671657 53 18200605704593931164 20871998 22 18201164235247551046 21501502 16 18197780118439928399 22802520 49 18190186874058631121 23402539 116 18130781244753257829 3248919 1 17560815358594238483 58051976 100 18198064874940555855 7364860 26 18199186372353133928 74978 22 18339078297653668251 81228 2 18124609587012613720 93112 12 18338799021657989207 9882013 296 12463565175577365570 9939556 21 18340488996789148117 > 248.8 6.95 1.79 0.92 2.34 0.37 -0.06 -1.56 0.51 -0.52 0.17 -0.22 -0.11 0.36 > 484.921 > 148.5 > 2 5 10 $$$$