71204050 -OEChem-04262422143D 39 41 0 0 0 0 0 0 0999 V2000 1.4368 2.3712 0.8238 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4984 1.0934 0.4229 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2781 2.0251 -0.9083 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6884 -2.5500 -0.2951 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7289 -1.4650 -1.0589 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0633 1.3350 1.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7215 0.3205 0.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3391 -1.0188 0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 -1.9674 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7193 0.7113 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1853 2.2431 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9522 -1.5766 -0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3344 -0.2373 -0.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 1.0528 -0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4629 -0.1600 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5456 -3.3993 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 3.3133 -0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0004 -1.3946 -0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 -0.1077 0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5397 3.1461 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4498 -1.2752 0.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8984 -2.4599 0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 0.8816 2.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8318 1.7936 2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5618 -1.3256 1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0103 3.1601 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0324 1.7499 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4400 -2.3068 -1.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1123 0.0668 -1.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 -3.8804 -0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5102 -3.4987 0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1971 -3.9372 0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2675 4.2320 -0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1264 0.8316 0.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 3.9327 -1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4253 -1.2586 1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4334 -3.3982 0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4037 -0.6705 -1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4191 -2.3845 -1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 1 26 1 0 0 0 0 2 11 2 0 0 0 0 2 14 1 0 0 0 0 3 14 2 0 0 0 0 3 20 1 0 0 0 0 4 18 1 0 0 0 0 4 22 2 0 0 0 0 5 18 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 20 2 0 0 0 0 17 33 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 M END > 71204050 > 0.6 > 1 306 31 121 341 222 165 154 311 325 78 302 85 199 250 117 340 179 309 285 335 58 291 84 239 123 241 216 27 284 12 337 261 256 213 96 342 316 214 252 344 149 178 289 297 35 112 338 347 276 320 150 200 75 192 187 348 282 185 143 137 315 304 310 72 102 198 25 61 173 47 303 307 128 153 195 267 76 322 301 290 323 296 141 24 189 313 190 255 83 318 51 336 349 272 212 270 218 139 113 156 125 294 7 17 240 81 151 89 232 234 247 226 262 106 281 266 101 183 350 300 249 268 162 138 334 259 144 134 118 329 280 211 223 228 9 160 188 50 236 167 193 13 343 295 52 203 312 11 63 164 97 120 181 16 319 219 177 21 161 215 330 209 339 91 238 274 277 115 260 328 257 210 114 182 54 271 205 227 34 263 331 122 2 265 207 233 155 99 98 136 217 286 100 345 346 159 73 158 80 145 251 283 109 327 305 79 131 95 124 220 230 248 201 221 157 273 88 253 43 108 82 208 87 135 147 171 56 8 324 292 140 86 225 29 186 30 129 60 103 293 326 279 202 321 332 70 105 119 132 275 142 288 14 48 258 169 148 23 107 333 314 19 245 235 229 299 10 146 93 175 166 174 36 49 65 168 66 42 194 308 92 110 278 170 317 94 104 287 204 152 231 62 28 224 46 197 71 269 184 191 32 116 172 176 74 237 77 44 126 163 127 254 69 180 206 111 6 246 243 242 264 90 41 196 59 55 37 18 57 22 298 68 39 20 45 67 53 26 40 33 64 133 244 15 130 5 3 38 4 > 33 1 -0.87 10 -0.15 11 0.41 12 -0.15 13 -0.15 14 0.62 16 0.14 17 -0.15 18 0.41 19 -0.15 2 -0.62 20 0.16 21 -0.15 22 0.16 25 0.15 26 0.4 27 0.15 28 0.15 29 0.15 3 -0.62 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.4 39 0.4 4 -0.62 5 -0.9 6 0.51 7 -0.14 8 -0.15 9 -0.14 > 4 > 9 1 1 donor 1 4 acceptor 1 5 cation 1 5 donor 3 1 2 11 cation 3 2 3 14 cation 6 2 3 11 14 17 20 rings 6 4 15 18 19 21 22 rings 6 7 8 9 10 12 13 rings > 22 > 0 > 0 > 0 > 0 > 0 > 1 > 12 > 043E7CD200000001 > 78.7656 > 45.814 > 10498660 4 18334852818507177222 10616163 171 18338801096296219142 10759866 29 18118413847827917982 107951 10 16811535331638011369 12054548 360 18411982446978299954 12403259 327 16414362362814598243 12506688 2 18272086085108067032 12553582 1 18336538421340497259 12714826 92 18411418367264116896 12788726 201 18113900420792927057 13533116 47 17915458518429993115 14223421 5 18411410705168755914 14363568 33 18121796172558284401 14790565 3 17689158236954105853 15422964 175 18337100267571699945 15664445 248 18120390988213989436 17357779 13 18339907295071946389 17492 54 17681005294473704564 17818456 19 17987815093773366289 1813 80 17749388230240831821 20291156 8 18411140255193746066 20645477 70 17756973877151581671 21665056 4 17761489188501088900 22182313 1 18266156457470118237 2255824 54 17686340180425684621 22907989 373 18115866313224068293 23379529 103 18128831741891912990 23559900 14 18266448816321036424 3117164 225 18266199373548062931 314173 41 18337958998879463953 340366 18 17465668888399806300 3737641 26 18339941332746172370 5309563 4 18337673147648115927 6287921 2 17910393123440867562 7097593 13 18126850636607059249 9709674 26 18195794194434682852 > 427.84 8.12 4.1 1.1 0.39 0.8 0.1 -5.55 -0.08 -0.93 -0.58 0.39 0.29 1.08 > 932.444 > 227.9 > 2 5 10 $$$$