92007 -OEChem-05132403423D 36 35 0 1 0 0 0 0 0999 V2000 1.6479 -1.1069 0.1205 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 -0.6578 -0.4316 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2644 -3.2343 0.5451 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4105 1.0545 1.1364 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2595 0.4251 0.1568 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1154 1.9091 -1.4848 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3763 2.8368 1.2647 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2513 -2.5361 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6249 -1.7987 0.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9228 -1.5695 -1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4891 -0.3802 1.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3549 0.2878 -1.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6001 0.3081 0.2257 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2634 1.2138 -0.4981 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0359 1.2777 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4851 1.9705 0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -3.2654 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0722 -2.5216 1.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0332 -1.0981 1.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5601 -2.1376 -1.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1752 -1.0220 -1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8958 0.3599 1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9317 -1.0599 1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5843 0.8692 -1.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9558 -0.2517 -2.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2438 -0.4264 -0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7819 1.9108 -1.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4436 2.0639 -0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 0.7624 -1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6885 2.5743 0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0536 1.2887 1.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -2.5729 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8429 1.7107 1.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8216 1.0324 0.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7252 2.5213 -2.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8519 3.3067 1.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 8 1 0 0 0 0 3 32 1 0 0 0 0 4 13 1 0 0 0 0 4 33 1 0 0 0 0 5 14 1 0 0 0 0 5 34 1 0 0 0 0 6 15 1 0 0 0 0 6 35 1 0 0 0 0 7 16 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 M END > 92007 > 0.8 > 9 1 161 132 26 375 134 293 335 79 151 347 259 146 170 193 23 392 180 122 370 365 225 274 289 206 298 360 140 99 336 339 349 348 155 24 268 188 374 297 232 271 288 384 237 183 278 228 324 242 120 21 92 203 22 108 332 245 58 185 76 90 318 284 279 220 290 87 243 342 317 104 302 334 136 5 178 222 283 110 270 195 257 233 352 376 204 103 37 77 287 264 173 390 32 280 127 380 198 141 269 85 350 175 16 194 124 340 261 81 53 115 163 275 36 250 131 176 145 356 52 209 17 294 307 285 247 331 260 341 296 133 353 158 29 44 262 235 216 215 83 338 143 169 138 191 251 238 325 378 61 320 135 8 371 258 221 102 282 6 300 217 162 327 55 60 218 38 366 224 385 255 386 357 80 361 267 286 207 113 111 379 295 50 256 43 362 337 57 244 96 372 200 157 107 364 62 388 150 329 70 345 66 309 123 367 381 301 25 199 277 105 78 165 174 314 359 69 148 75 326 328 30 65 299 308 312 154 304 164 246 219 14 190 182 358 184 330 13 311 153 346 42 306 46 114 321 229 276 344 128 129 248 391 71 10 40 333 11 234 249 116 211 263 72 210 171 126 121 315 239 144 119 159 214 186 322 68 2 363 291 316 125 49 181 351 98 179 149 189 313 106 160 86 197 7 292 56 192 303 130 67 310 355 202 28 19 389 63 112 3 305 167 168 142 201 166 212 383 393 223 137 31 4 205 20 387 12 241 156 39 88 373 45 15 265 213 236 47 354 93 273 368 254 41 252 226 100 118 33 377 208 94 227 95 139 109 319 64 177 152 54 27 34 323 196 231 240 369 51 35 382 89 281 48 73 266 18 101 172 82 272 59 74 187 230 84 147 91 343 117 97 253 > 21 1 -0.56 10 0.28 11 0.28 12 0.28 13 0.28 14 0.28 15 0.28 16 0.28 2 -0.56 3 -0.68 32 0.4 33 0.4 34 0.4 35 0.4 36 0.4 4 -0.68 5 -0.68 6 -0.68 7 -0.68 8 0.28 9 0.28 > 10 > 12 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 5 donor 1 6 acceptor 1 6 donor 1 7 acceptor 1 7 donor > 16 > 0 > 2 > 0 > 0 > 0 > 1 > 1 > 0001676700000009 > 32.2023 > 60.928 > 10681291 71 18411429392355397428 12173636 292 18342450452481947815 13618510 140 18339355279941723405 13764800 53 18336264634387115915 13828863 39 14709212234300443396 14123250 116 18337393871504653004 14123255 52 18340761563808677016 14123260 362 18410577314099440568 14787075 74 18337385037474317327 15342168 16 18334013861365792957 1741750 31 18411693318396520962 1798214 55 18411975845418581988 18785283 64 18191310381516598962 19107657 9 18411421678673339572 20539926 19 18410009927392081060 20671657 1 18195805163459845319 21524375 3 18340195306799308343 22182937 141 18337672017807459954 22849341 161 17677596606991118152 235170 7 15554147264291378556 23557571 272 17272841258941284718 2637199 183 18341343179869152438 474 4 18264206911774118229 > 288.19 8.03 3.24 1.29 3.16 1.19 0.15 -7.19 -0.38 -1.51 -0.55 0.29 -0.42 -1.47 > 538.542 > 179.5 > 2 5 10 $$$$