33023 -OEChem-05092413383D 36 35 0 1 0 0 0 0 0999 V2000 -1.7676 0.0683 -0.6216 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 0.7232 -0.0466 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6683 -1.3644 -0.4036 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1212 -2.2171 0.8569 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4086 1.3980 -0.2793 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1976 1.3443 0.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -0.4802 0.3215 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0368 0.6278 0.7746 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1030 2.1688 -1.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1315 -0.0744 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4496 -1.9827 0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1042 -0.1639 -0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4618 2.0280 1.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -2.0756 -1.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2312 1.9152 0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0399 2.3752 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4211 0.7710 1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5183 -0.0578 1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7966 0.0189 1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9984 2.2217 -2.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 3.1891 -1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3354 1.6688 -2.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3647 0.4973 -0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0389 -0.1731 0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1474 -2.4701 1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5404 -2.4497 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2759 0.9162 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2869 -0.5517 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 -0.5994 0.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 2.4264 1.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4831 2.0216 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 2.7294 0.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -1.8219 1.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5515 -2.2283 -0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2506 -3.0532 -1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9186 -1.5400 -2.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 10 1 0 0 0 0 3 14 1 0 0 0 0 4 11 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 M END > 33023 > 0.8 > 2 145 376 238 206 76 258 348 323 337 73 257 340 218 33 313 230 302 50 163 240 357 106 242 43 288 217 335 211 270 19 88 108 244 221 261 99 68 226 264 325 182 173 123 279 300 29 51 220 126 84 297 92 263 246 232 366 189 5 345 290 115 107 295 155 79 352 37 38 91 129 24 241 283 371 346 276 249 291 167 56 336 229 247 52 153 31 77 62 268 312 128 174 358 304 373 103 150 191 235 231 86 156 213 70 74 143 44 319 166 183 310 301 303 266 96 332 47 8 354 89 170 227 15 26 272 286 251 176 109 80 113 331 25 97 131 333 344 203 260 202 255 137 10 329 296 154 147 98 146 309 13 359 110 200 228 181 104 367 254 326 122 118 343 320 262 205 48 178 224 216 49 78 199 59 162 148 338 214 245 135 349 139 64 210 141 223 285 39 362 307 179 85 233 160 253 364 195 75 112 32 188 142 20 274 315 93 41 330 287 360 347 317 55 355 127 278 212 4 328 363 71 36 267 180 314 299 365 185 120 35 306 12 117 342 138 17 370 350 168 282 175 225 134 87 45 341 63 42 207 316 159 243 22 311 133 82 105 368 298 277 11 236 124 149 234 21 3 16 239 100 46 186 292 377 144 256 187 157 57 305 102 281 273 193 209 374 269 321 101 114 372 378 201 318 67 1 204 94 9 219 83 136 66 271 72 28 152 111 208 190 169 334 30 280 18 289 294 95 198 58 215 7 324 322 259 165 158 196 222 275 130 6 81 375 293 284 140 23 132 90 171 356 177 197 27 65 339 237 250 164 61 69 308 151 161 248 192 54 351 194 53 172 265 361 369 60 121 184 34 252 116 119 14 40 353 125 327 > 12 1 -0.56 10 0.28 11 0.28 14 0.28 2 -0.56 3 -0.56 33 0.4 4 -0.68 5 0.28 6 0.28 7 0.28 8 0.28 > 8 > 5 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 4 donor > 14 > 0 > 3 > 0 > 0 > 0 > 1 > 1 > 000080FF00000002 > 34.5043 > 25.386 > 107287 299 18128815425168282104 11322862 65 18263359183993199381 13544592 145 18410570652636806629 14251745 187 18409169917794032482 14252887 29 18336830921724909025 15375358 24 18266164201116428217 15415430 2 18260836981264690531 17834074 16 18412548721236349866 18380122 1 18265880535870264672 19766037 51 18269855184536652838 20201158 50 18341893017256023898 20645476 183 16370729240167033491 20645477 70 18272923942758760391 20693207 138 18340492175392138132 20711983 138 18342184366478313273 20871998 22 18263083369751632033 20871999 31 18263652757908477300 22721475 48 18410294743673837546 22802520 49 18410296938386548594 23526113 38 17982985917765016392 23557571 272 18187358818710338028 23559900 14 18411695526125866096 2748010 2 18262797500944438299 449060 23 18188204402969825177 539174 4 14188459110090424414 58051976 378 18334572499304079948 598444 67 18337392639007047767 7364860 26 17685781624329198253 81228 2 18186796985321741417 8809292 202 18339929190878595854 9709674 26 18341046406118966331 > 264.64 6.46 2.66 1.16 0.57 0.52 0.22 3.03 0.53 0.75 0.18 0.32 -0.35 1.91 > 488.227 > 169.2 > 2 5 10 $$$$