65103 -OEChem-04262411343D 47 49 0 1 0 0 0 0 0999 V2000 2.4412 -1.9157 1.1300 P 0 0 1 0 0 0 0 0 0 0 0 0 3.6144 0.5967 0.1414 P 0 0 2 0 0 0 0 0 0 0 0 0 2.2090 1.5140 -2.2849 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -2.0023 0.7031 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -4.4215 -0.8783 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8951 -2.3921 1.0952 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4457 -0.4957 0.3596 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6992 -1.5007 2.6722 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 -2.9141 0.5849 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4284 4.3212 0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9363 1.6763 -0.8509 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6834 -0.1635 -0.8031 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1879 1.1789 1.3996 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8849 0.6580 -1.9287 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6315 2.9927 -2.5872 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0744 0.9305 -3.3627 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9779 -0.1150 -0.1904 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1642 0.5451 1.2906 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7289 1.9477 -0.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9477 2.9169 1.5986 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4961 1.3864 2.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9089 -3.4769 -1.1682 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8855 -1.5704 -0.1989 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1623 -3.1250 0.1142 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5581 -2.1691 -1.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 -2.7110 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2007 0.7701 0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8948 0.6522 -0.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6633 2.0188 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0301 3.1908 0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 1.6767 1.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2766 -3.9031 -1.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -1.9417 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1927 -3.9377 0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4531 -2.2842 -2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8387 -1.5395 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3257 -1.8249 -0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8384 -3.5235 -0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4246 -4.1258 -0.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6548 0.2094 -1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8155 -0.3815 1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8782 -2.2064 3.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7903 0.4302 2.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0214 2.1227 3.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2926 -0.8177 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3105 0.3429 -2.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2066 3.1687 -3.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 16 2 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 22 1 0 0 0 0 5 39 1 0 0 0 0 6 26 1 0 0 0 0 8 42 1 0 0 0 0 10 30 2 0 0 0 0 12 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 17 23 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 27 1 0 0 0 0 18 31 1 0 0 0 0 18 41 1 0 0 0 0 19 28 2 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 2 0 0 0 0 21 31 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 32 1 0 0 0 0 23 25 1 0 0 0 0 23 33 1 0 0 0 0 24 26 1 0 0 0 0 24 34 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 27 29 2 0 0 0 0 28 40 1 0 0 0 0 29 30 1 0 0 0 0 M END > 65103 > 1.2 > 1 131 295 376 111 282 186 184 201 178 93 290 318 210 236 66 86 8 95 27 190 102 225 191 164 94 170 297 332 84 239 158 175 38 59 204 143 73 273 382 304 287 31 18 319 274 328 150 245 215 325 176 263 258 26 256 122 192 88 371 221 107 180 378 79 220 115 195 120 29 194 280 240 326 237 125 19 134 12 333 235 331 292 279 42 214 268 152 259 309 285 6 89 78 177 3 207 82 71 249 296 335 317 103 254 99 126 146 346 168 58 137 222 106 189 17 289 188 139 307 339 241 83 153 354 283 250 39 202 34 310 200 20 67 118 45 154 49 298 238 110 223 80 323 340 288 157 388 15 74 370 300 313 127 33 251 96 87 161 329 218 322 242 36 365 156 229 264 119 352 253 174 63 321 257 53 211 113 97 374 72 61 9 167 65 233 303 145 114 52 76 234 208 68 2 43 275 142 91 320 262 41 32 62 130 270 46 23 14 51 344 60 308 353 364 372 105 104 355 109 132 293 124 291 123 343 311 198 232 383 100 324 345 361 373 206 284 267 16 272 28 173 121 231 227 108 147 35 144 302 40 56 209 366 306 162 21 363 166 98 117 112 327 330 212 37 64 185 230 255 128 22 155 138 30 116 265 356 196 193 384 294 165 159 271 269 299 187 334 369 349 312 4 342 348 224 135 197 7 44 357 362 75 381 5 55 140 260 277 350 338 216 286 85 315 129 92 368 24 160 248 360 169 179 305 199 226 50 47 10 359 149 141 25 266 219 341 276 336 183 244 181 148 377 81 205 347 151 213 13 171 337 375 316 314 11 48 243 387 281 70 217 101 182 261 358 172 90 351 380 163 252 228 77 385 246 247 379 203 69 54 57 367 301 386 133 136 278 > 39 1 1.51 10 -0.57 11 -0.54 12 -0.77 13 -0.7 14 -0.77 15 -0.77 16 -0.7 17 0.05 18 -0.53 19 -0.57 2 1.51 20 -0.66 21 -0.85 22 0.28 23 0.54 24 0.28 26 0.28 27 -0.07 28 0.04 29 0.14 3 1.51 30 0.87 31 0.55 39 0.4 4 -0.56 40 0.15 41 0.4 42 0.5 43 0.4 44 0.4 45 0.5 46 0.5 47 0.5 5 -0.68 6 -0.55 7 -0.54 8 -0.77 9 -0.7 > 9 > 19 1 10 acceptor 1 12 acceptor 1 13 acceptor 1 14 acceptor 1 15 acceptor 1 16 acceptor 1 18 donor 1 20 donor 1 21 donor 1 4 acceptor 1 5 acceptor 1 5 donor 1 8 acceptor 1 9 acceptor 3 17 19 28 cation 4 3 14 15 16 anion 5 17 19 27 28 29 rings 5 4 22 23 24 25 rings 6 18 20 27 29 30 31 rings > 31 > 3 > 0 > 0 > 0 > 0 > 1 > 6 > 0000FE4F00000001 > -3.3416 > 96.731 > 10708813 3 18262239915452291820 11370993 70 18124018049250234184 11513181 2 17915168023262897438 11640471 11 18260559895907722644 12156800 1 16235824703730491324 12788726 201 18121240893748601061 13009979 54 18262782069238136234 13965767 371 17184450032920044522 14790565 3 18129095616271836969 20600515 1 17773893036987995785 20691752 17 17472417029203674291 20715895 44 17831843674025594901 20764821 26 18051962916529201681 20905425 154 17697298974032647131 25265897 201 15762739717132826367 35225 105 17988351577436702508 6287921 2 17765998299045935679 9981440 41 17765136290736699987 > 548.31 7.09 5.28 2.47 3.98 1.37 0.88 -0.36 1.48 -4.03 0.04 2.43 -1.26 -2.66 > 1118.855 > 319.2 > 2 5 10 $$$$