187764 -OEChem-04252404323D 62 65 0 1 0 0 0 0 0999 V2000 -2.4154 3.9334 -0.2129 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4067 0.6286 -0.6815 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9554 0.8205 -1.8666 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4545 5.1913 -0.6059 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7874 4.0638 1.1817 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4086 3.7685 -1.2551 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4014 1.6165 -0.2805 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 0.1213 -2.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4389 -4.3610 0.2259 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5279 -0.3920 1.3512 N 0 0 2 0 0 0 0 0 0 0 0 0 -3.1444 -0.5054 0.0967 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 2.9310 0.3951 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4863 -0.6901 0.4244 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2838 -2.4004 -0.6747 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2786 -3.3150 -0.7287 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1746 2.6326 -0.3623 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8120 1.3967 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7858 0.7882 1.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6837 0.5384 -0.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0392 1.2275 2.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2693 -1.3319 -0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0054 -1.6009 1.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2843 2.3938 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6655 -1.6108 -1.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9908 -1.8752 0.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4569 1.3851 -0.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4162 2.8436 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8282 1.3044 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7179 0.8450 -1.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6773 2.3037 0.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7723 -2.4245 -1.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0975 -2.6891 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4881 -2.9637 -0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4049 -1.6382 0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 -1.7255 1.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5452 -2.6559 1.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4363 -3.4297 0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 -5.1246 -0.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9565 2.5751 -1.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0267 3.6514 1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 0.8985 3.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9692 2.3145 2.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0342 0.7949 2.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 -1.4901 3.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5773 -2.5010 1.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9744 -1.7846 1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1185 -1.2348 -2.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7417 -1.6570 1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6227 0.9909 -1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3158 3.6205 1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1584 5.2212 -1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8113 0.0661 -1.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5262 2.6714 1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0732 -2.6438 -2.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6601 -3.1029 1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3501 -3.5971 -0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8355 -0.4504 1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6912 -1.0938 2.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8534 -2.7671 2.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5405 -5.8169 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2103 -4.4790 -1.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2961 -5.7163 -1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 16 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 13 1 0 0 0 0 2 28 1 0 0 0 0 3 19 2 0 0 0 0 4 51 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 22 1 0 0 0 0 11 19 1 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 12 23 1 0 0 0 0 12 40 1 0 0 0 0 13 34 1 0 0 0 0 13 57 1 0 0 0 0 14 15 1 0 0 0 0 14 34 2 0 0 0 0 15 37 2 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 31 1 0 0 0 0 24 47 1 0 0 0 0 25 32 2 0 0 0 0 25 48 1 0 0 0 0 26 29 1 0 0 0 0 26 49 1 0 0 0 0 27 30 2 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 33 2 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 38 60 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 M END > 187764 > 1 > 1 333 197 43 312 122 360 384 267 130 278 392 53 268 307 65 207 226 394 325 225 441 34 32 149 403 365 320 115 375 436 136 459 385 353 297 413 80 340 61 247 401 341 374 213 72 323 71 420 438 194 434 258 17 350 184 237 433 22 454 367 453 439 154 458 395 342 415 282 11 211 206 251 373 410 337 348 378 310 326 87 198 99 371 416 250 379 449 172 409 30 382 442 109 156 147 112 407 235 276 309 210 158 174 231 317 417 364 294 306 305 327 273 96 292 424 146 274 257 311 389 59 302 239 431 279 313 331 289 272 428 287 260 69 396 216 113 110 181 101 104 299 132 139 74 425 38 242 8 444 349 456 217 362 126 446 281 256 283 270 314 344 91 380 435 338 103 377 332 249 192 265 284 322 7 117 335 44 68 318 119 328 361 63 164 252 204 179 123 245 57 386 195 12 222 280 334 246 20 414 455 369 244 366 308 286 315 214 196 5 363 232 296 233 125 261 269 412 3 33 166 124 429 82 39 128 316 35 262 142 183 336 118 47 102 143 140 248 165 200 141 90 427 319 145 98 160 220 422 462 173 254 229 148 372 83 393 186 321 120 190 105 203 295 77 93 138 52 42 161 356 402 151 370 157 285 228 167 399 452 354 219 447 301 187 408 170 205 463 329 423 411 29 127 418 152 95 64 168 4 437 303 443 191 461 255 450 188 300 175 92 440 159 62 182 163 390 178 383 346 94 10 398 212 448 426 133 114 264 153 169 451 199 358 36 238 111 193 108 31 201 345 46 391 271 253 405 144 189 457 177 430 355 421 404 25 359 357 26 21 60 107 209 56 37 304 54 180 291 49 263 343 406 75 41 88 224 135 176 324 230 236 131 116 162 241 19 330 397 66 89 351 215 18 129 58 45 221 14 240 275 97 460 137 266 100 387 388 376 15 419 223 218 48 185 150 51 259 243 79 347 290 171 76 352 432 16 84 445 78 298 293 155 277 208 339 27 40 106 227 70 23 85 28 288 81 50 55 134 381 73 368 9 6 24 2 202 400 121 67 86 13 234 464 > 52 1 1.38 10 -0.49 11 -0.16 12 -0.87 13 -0.76 14 -0.31 15 -0.31 16 0.61 17 -0.12 18 -0.04 19 0.62 2 1.45 20 0.14 21 0.12 22 0.37 23 0.1 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.01 29 -0.15 3 -0.57 30 -0.15 31 -0.15 32 -0.15 33 -0.15 34 0.51 35 -0.15 36 -0.15 37 0.39 38 0.28 4 -0.68 40 0.4 47 0.15 48 0.15 49 0.15 5 -0.65 50 0.15 51 0.5 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 57 0.42 58 0.15 59 0.15 6 -0.65 7 -0.65 8 -0.65 9 -0.36 > 9 > 15 1 12 cation 1 12 donor 1 13 donor 1 14 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 4 1 4 5 6 anion 5 10 11 17 18 19 rings 6 14 15 34 35 36 37 rings 6 21 24 25 31 32 33 rings 6 23 26 27 28 29 30 rings > 38 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 0002DD7400000001 > 119.2877 > 76.2 > 11991303 11 18043528322937609725 12156800 1 10885845034713770522 13383661 66 17988100927931509278 1361 2 18195523920701304731 13631057 29 18411704300928862964 13911987 19 17828216711029533020 14068700 686 18410851088464196232 14681490 219 18335980952086930123 15001296 14 18338798905894306358 15320291 9 18052250687881378847 15347590 135 17844518006457321656 15538507 32 18124877013335778792 17627616 140 13513489455822134718 17909252 39 18410283731346016545 19301676 85 17618782458110258231 19315092 285 17774163538386452081 20028762 73 18130510837749436014 20764821 26 18119533128973821074 21133410 58 18048585212957565199 21133410 62 18116131419996414135 21703447 108 18270672194395837064 3027735 51 18409452479312917161 3383291 50 17618502082349386385 463206 1 18192430994371148811 5309563 4 18410293657184216117 59755656 215 18115020930442063890 70251023 43 18338236093269932905 86090 222 18266740362716293506 > 718.75 13.82 6.69 1.72 3.34 0.37 -0.35 -9.44 3.68 1.24 0.7 0.69 -0.23 -0.44 > 1523.125 > 402.8 > 2 5 10 $$$$