3634442 -OEChem-12252222253D 43 44 0 1 0 0 0 0 0999 V2000 1.1091 2.0210 1.9081 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7969 -0.6887 -0.1673 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 0.5952 -1.7496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1588 -3.8512 -1.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 -3.6742 1.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7068 1.1520 -0.1569 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3275 0.5670 -1.6466 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6243 4.3198 0.1672 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3523 2.8591 0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1043 2.9737 -0.0800 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0956 1.7198 -0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6374 0.1755 0.3501 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1701 0.4052 0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0077 2.0089 0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9679 -1.1630 0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9566 -0.3098 -0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 1.8081 -1.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3244 -1.9015 -0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6543 -0.2654 1.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2541 -1.6672 -0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 0.0599 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9436 -1.6231 1.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7314 -2.3112 0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6672 -3.2097 -0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8911 3.7848 0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4061 2.7679 1.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1612 2.7885 -1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0752 0.5861 1.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2093 -0.9988 1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7138 -1.8286 1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 1.1903 -1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9907 2.6283 -2.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9028 0.3281 -2.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -1.2686 -0.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0895 -2.1250 -1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0465 0.2546 2.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5909 4.5304 1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6033 4.3711 -0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8667 -2.2041 -1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5507 -2.1443 2.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9427 -3.3658 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5368 -0.7496 -0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2556 -4.7065 -0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 21 1 0 0 0 0 2 42 1 0 0 0 0 3 21 2 0 0 0 0 4 24 1 0 0 0 0 4 43 1 0 0 0 0 5 24 2 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 31 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 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 14 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 15 1 0 0 0 0 12 21 1 0 0 0 0 12 28 1 0 0 0 0 13 16 1 0 0 0 0 13 19 2 0 0 0 0 15 18 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 20 2 0 0 0 0 17 32 1 0 0 0 0 18 24 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 20 23 1 0 0 0 0 20 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END > 3634442 > 1 > 1 310 384 69 233 172 269 247 280 148 212 49 268 185 27 46 173 239 143 267 136 266 265 113 353 200 194 228 204 394 95 393 198 109 287 211 391 272 59 99 107 294 122 340 231 208 91 283 106 222 177 124 235 86 190 82 155 123 76 102 42 392 85 56 308 145 18 70 217 7 199 359 273 336 110 169 104 256 351 216 48 103 50 334 164 25 12 330 279 325 350 34 270 157 230 52 74 373 31 2 83 51 347 16 317 206 331 38 324 366 17 161 23 54 227 197 209 71 281 130 3 133 343 162 72 377 372 47 278 319 24 316 242 271 30 362 121 326 114 292 116 14 303 335 175 291 195 299 63 191 224 276 45 89 338 101 119 147 285 387 262 375 61 205 344 289 80 354 93 174 322 385 339 44 32 108 390 8 296 248 92 244 84 171 154 81 11 203 311 309 22 156 232 345 138 207 305 349 295 139 168 68 149 57 298 4 163 260 257 43 87 307 90 386 15 146 328 100 246 371 41 131 97 229 259 55 64 170 236 36 379 284 302 67 348 65 179 333 125 9 94 277 39 234 144 129 182 152 128 213 238 358 363 315 337 293 264 66 251 223 141 13 370 35 105 132 282 165 376 111 96 28 187 214 159 176 181 178 210 78 225 126 189 312 261 188 274 167 192 142 301 112 184 180 364 60 26 313 58 342 5 186 140 355 127 73 352 215 118 53 369 327 360 158 134 77 21 160 254 365 153 357 275 115 29 37 201 6 388 389 263 88 321 253 332 193 19 135 151 346 20 218 240 255 374 367 249 219 202 306 290 368 381 300 378 220 320 237 241 75 341 318 98 183 288 304 361 243 323 137 286 250 62 10 314 79 329 252 33 297 117 383 382 120 221 356 150 40 380 196 166 245 258 226 > 33 1 -0.57 10 0.33 11 -0.18 12 0.36 14 0.57 16 -0.15 17 -0.3 18 0.06 19 -0.15 2 -0.65 20 -0.15 21 0.66 22 -0.15 23 -0.15 24 0.66 3 -0.57 31 0.37 32 0.15 33 0.27 36 0.15 37 0.36 38 0.36 39 0.15 4 -0.65 40 0.15 41 0.15 42 0.5 43 0.5 5 -0.57 6 -0.73 7 0.03 8 -0.99 9 0.18 > 9 > 14 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 donor 1 7 cation 1 7 donor 1 8 cation 1 8 donor 3 2 3 21 anion 3 4 5 24 anion 5 7 11 13 16 17 rings 6 13 16 19 20 22 23 rings > 24 > 0 > 2 > 0 > 0 > 0 > 1 > 2 > 0037750A00000001 > 34.0028 > 71.256 > 10616163 171 18337675196252096438 11513181 2 16834340761613167358 12054548 360 17903656407424125292 12156800 1 13273886239812245027 12403259 226 18192433188899048515 12553582 1 18339357466059393993 12596599 1 17488758898391000639 12788726 201 17486489291843886081 13140716 1 18412545418201381992 14251757 5 18120960522990046318 19930381 70 18123184598694831367 20775438 99 17193160836577296975 20905425 154 18054219938769904750 23558518 356 17617093603479876488 238 59 18266437962495464319 2748010 2 18266450095662121705 5283178 26 18123213417376858699 > 449.62 6.02 4.83 1.41 3.85 0.18 -0.02 0.74 2.14 -0.15 -0.31 -0.29 0.03 0.7 > 948.044 > 251.8 > 2 5 10 $$$$