52915299 -OEChem-10101915023D 25 24 0 1 0 0 0 0 0999 V2000 -2.1489 -2.6982 -0.1765 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3636 -1.7588 1.6230 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5223 -2.9449 0.0867 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0589 -1.7399 -1.6443 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3945 -0.3989 0.4724 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3127 -0.2800 -1.4255 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6923 -1.9589 0.0568 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2652 0.1998 -0.1382 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 0.2281 1.6152 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3548 2.0486 0.6345 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3961 3.0260 0.5969 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2163 2.1751 -1.2451 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8189 -0.7061 0.1721 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4709 0.7847 0.3936 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9783 2.1522 -1.3032 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6049 2.3348 0.4993 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4185 -1.6413 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0156 -1.7584 -0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1569 -0.3654 -0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1491 -0.7733 -0.3275 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9729 0.3586 0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4422 1.7108 -0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1213 2.0055 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1512 -0.7337 -1.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6194 3.0273 -1.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 4 18 1 0 0 0 0 5 19 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 9 21 1 0 0 0 0 10 23 1 0 0 0 0 11 23 1 0 0 0 0 12 23 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 15 22 1 0 0 0 0 15 25 1 0 0 0 0 16 22 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 M END > 52915299 > 0.8 > 1 301 351 162 123 386 200 72 221 176 199 106 18 399 295 267 384 98 369 342 265 367 51 374 319 361 412 160 397 145 212 218 249 343 290 320 291 121 202 310 92 379 392 419 133 10 20 29 184 324 231 32 420 352 349 344 94 194 107 283 358 49 305 424 398 277 240 368 393 292 406 315 62 120 360 70 380 217 193 261 187 163 270 41 188 431 389 158 350 425 233 313 154 329 235 205 289 284 294 275 100 214 50 140 247 195 326 286 300 125 298 95 173 85 171 108 186 304 179 433 136 45 167 381 391 169 48 17 359 138 372 220 411 323 19 189 426 230 353 211 365 354 44 387 253 364 278 147 327 308 293 385 348 228 165 262 370 164 296 135 43 130 336 141 373 287 241 312 335 6 69 325 117 122 224 157 36 244 101 242 404 388 376 415 55 110 52 257 258 429 377 64 259 378 307 400 264 102 432 86 246 127 403 251 418 174 254 182 268 238 114 144 402 30 118 58 143 38 119 410 362 201 417 236 88 409 24 27 263 226 243 371 266 280 196 207 65 341 77 382 396 16 82 63 146 181 309 204 60 306 209 137 155 191 190 116 59 57 331 252 40 356 272 282 210 89 427 285 197 14 216 115 132 297 222 33 113 105 383 83 328 337 104 177 256 198 414 172 192 183 302 142 53 316 103 394 299 423 318 73 168 223 91 206 421 84 39 203 346 5 22 227 366 303 255 159 355 375 279 97 430 245 317 21 111 363 109 99 78 35 250 4 281 68 357 248 413 274 2 7 67 422 271 12 232 416 334 338 149 288 175 76 54 112 340 333 61 390 428 79 166 128 347 80 56 87 314 26 8 152 31 219 66 225 215 93 229 408 322 180 42 28 34 46 208 345 15 9 178 23 330 25 269 311 129 170 401 153 75 37 139 150 156 395 71 81 74 126 332 185 407 260 321 161 213 237 13 148 124 96 276 234 405 47 90 339 3 151 134 131 11 239 273 > 24 1 -0.34 10 -0.34 11 -0.34 12 -0.34 13 -0.56 14 -0.56 15 -0.65 16 -0.57 17 0.68 18 0.96 19 0.96 2 -0.34 20 0.62 21 0.74 22 0.66 23 1.3 25 0.5 3 -0.34 4 -0.34 5 -0.34 6 -0.34 7 -0.34 8 -0.34 9 -0.34 > 8 > 5 1 13 acceptor 1 14 acceptor 1 15 acceptor 1 16 acceptor 3 15 16 22 anion > 23 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 03276C6300000001 > 15.9575 > 25.436 > 10498660 4 18122347040852903380 10967382 1 18411702084086830593 128993 33 18339377334736146420 13140716 1 18194116545537838938 13583140 156 16950558849011564721 13764800 53 18261400012806516610 14251757 17 17912403941936657812 14386348 128 18270976720588014992 14787075 74 16524702907164119594 15442244 35 18337388241277125618 16945 1 18410568479177892727 18219364 16 17973443204881807109 192875 21 18193809648686450830 19868273 325 17906733957328308102 20510252 161 18265897049839792914 21296965 12 18272934929248531023 21524375 3 18411135797176091295 22094290 62 18267019462438880450 2334 1 17619061076637557312 238 59 17539656168004238053 2748010 2 18123193389954757471 350125 39 18409456894422999198 3797600 57 16304873123822404320 44154327 71 18192162692058823197 474 4 18336826373354704613 5939293 188 17115787717903766769 7097593 13 18114729444176356402 > 362.57 5.64 3.38 1.1 2.52 0.51 -0.09 1.95 0.21 -1.16 -0.05 -0.02 0 -0.18 > 760.822 > 202.6 > 2 5 10 $$$$