23723978 -OEChem-05102419333D 60 62 0 0 0 0 0 0 0999 V2000 -1.4756 2.0008 1.0061 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8715 -1.5863 0.4468 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2777 2.0865 -1.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1156 -2.3113 1.1345 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1496 -0.0711 -1.1766 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5865 0.0897 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2659 -0.5365 -1.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6754 0.0735 0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9984 0.0456 -2.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9065 0.6341 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6525 -0.7377 0.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1505 1.5084 -0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3604 0.4367 -1.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9065 -0.8109 -0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5770 0.2534 -0.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0166 3.3257 1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7793 -0.9580 -0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4789 1.2987 -0.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1893 -1.2921 0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9067 -1.1278 0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3236 3.7242 2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6063 1.1289 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8202 -0.0842 0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5707 -0.7896 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1305 -1.4993 1.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9117 -0.4903 -1.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4714 -1.1998 0.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8621 -0.6954 -0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2884 -2.4161 1.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0795 -0.3833 -2.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1314 -1.6221 -1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9007 -0.9581 1.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5205 0.6387 1.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1977 -0.5144 -3.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8353 1.0901 -2.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7695 1.7097 -0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7414 0.5326 0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9114 -0.3552 1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2984 -1.7617 0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5451 -0.1081 -2.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2368 1.4950 -2.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2838 0.2012 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7229 -1.3150 -1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9355 3.3479 0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2866 4.0206 0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0838 -1.7849 -0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3242 2.2479 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7401 4.7344 2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0388 3.0269 2.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4171 3.6884 3.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3171 1.9421 0.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7159 -0.1478 1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 -0.6429 -1.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8303 -1.8918 2.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2175 -0.1038 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2115 -1.3597 1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9065 -0.4639 -0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2948 -3.4222 2.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1993 -2.3204 1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.7093 2.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 3 12 2 0 0 0 0 4 20 1 0 0 0 0 4 29 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 14 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 21 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 20 1 0 0 0 0 17 46 1 0 0 0 0 18 22 2 0 0 0 0 18 47 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 23 2 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 24 26 1 0 0 0 0 24 53 1 0 0 0 0 25 27 2 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 M END > 23723978 > 1 > 2 170 235 173 208 82 288 363 256 122 88 355 357 137 96 322 106 77 338 316 108 32 47 49 344 113 358 289 294 127 102 44 89 280 139 155 330 63 356 145 223 325 76 116 354 251 219 56 43 317 134 184 201 238 4 341 165 327 265 346 351 57 80 198 345 353 348 226 125 364 261 212 359 199 365 273 10 161 171 297 328 266 306 218 277 101 94 115 287 100 72 141 92 114 269 148 48 189 360 67 41 50 178 368 38 315 244 59 298 334 55 335 111 87 282 217 312 185 3 286 233 176 45 332 257 340 262 248 227 69 84 260 290 215 61 242 211 27 15 130 366 253 164 132 252 74 109 24 142 243 28 231 210 291 18 196 157 81 264 131 166 302 140 154 228 7 272 54 313 62 299 187 293 162 150 128 36 71 361 250 197 323 120 224 320 86 53 319 246 149 25 16 258 35 204 270 203 311 158 350 90 267 183 367 285 91 60 336 40 307 33 66 192 11 105 85 339 347 284 271 52 138 276 160 51 333 195 216 98 362 222 95 118 232 97 295 225 58 17 279 213 229 202 221 107 124 342 303 343 326 5 275 119 331 121 93 79 324 329 159 186 26 13 112 146 20 123 78 73 193 370 180 9 133 349 30 234 255 182 230 305 281 283 39 314 174 117 21 156 259 167 143 42 209 181 318 206 239 310 292 308 22 274 103 268 168 254 8 194 263 136 337 23 309 83 247 207 29 135 104 179 301 241 177 110 151 278 19 68 31 126 37 152 147 369 190 12 205 34 191 200 6 249 245 304 1 175 129 144 352 321 14 236 237 169 163 99 300 153 64 240 70 46 172 188 75 214 296 220 65 > 34 1 -0.43 10 0.27 12 0.66 13 0.41 14 0.28 15 -0.14 16 0.28 17 -0.15 18 -0.15 19 0.08 2 -0.36 20 0.08 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 0.28 3 -0.57 4 -0.36 46 0.15 47 0.15 5 -0.81 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 6 0.06 9 0.27 > 11.2 > 7 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 6 15 17 18 20 22 23 rings 6 19 24 25 26 27 28 rings 6 5 6 7 8 9 10 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0169FFCA00000002 > 87.4702 > 35.522 > 10 15 14764342747791764446 102385 1 17626404324305823695 10930396 42 17845633933291437690 12107698 1 18272087218879511712 12166972 35 17894634785411092893 12516196 113 18131358544192226743 12664476 115 16487258790510789688 12788726 201 18341614793864806363 12857493 111 17917992780773646553 13533116 47 18186519930298414262 13540713 4 17201376061215974076 13914758 101 17095236999667177205 14028597 1 18335427833540587859 14118638 360 18409735050202633204 14150022 121 17060349495918480889 14294032 229 17203894058734078564 15131766 46 14260200251307391370 15183329 4 14562526293053738975 15188451 53 18334853892818674250 18006028 8 18272653476284414981 19841028 212 17530958061030695658 21814621 53 17095809931583770217 22079108 93 14764630815527067366 22224240 67 16128377085937498887 23559900 14 18041557065358787013 23569943 247 16806995534284532378 23929065 36 18059008372450355689 3009799 131 18334296504636794541 3633792 109 17822003177773476835 4258327 124 10159687045187630178 5104073 3 17559965307753074306 5219985 9 18273213127803426713 5758199 1 15410902868276965455 58083652 198 18129943490155575033 5969126 39 18060702780182857825 9689198 14 12391515299516521295 > 568.35 22.16 2.73 1.8 2.63 2.88 -0.07 -13.8 -5 0.72 -2.19 -0.6 0.3 -2.58 > 1194.672 > 319.6 > 2 5 10 $$$$