43524266 -OEChem-04192423343D 36 37 0 1 0 0 0 0 0999 V2000 -0.8311 0.6297 1.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -0.0562 -0.0437 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5498 -0.8669 -0.7287 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6189 -2.0486 -0.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8364 -0.2782 0.9055 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4192 0.5414 -0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1922 -0.0376 0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8651 0.3768 -0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4888 0.3849 0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7205 -1.6673 1.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 -0.8869 -0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6672 1.5133 -0.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9847 0.9964 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -1.0141 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0204 1.3862 -0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5713 0.1225 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2241 1.1918 0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7613 -0.6464 -1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6271 0.3591 -0.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 0.4444 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1437 -0.1523 -1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2339 1.5429 -1.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -0.2607 -1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7903 -2.4555 0.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -1.8365 2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7586 -1.7906 2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2536 2.5056 -0.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 1.6433 1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2112 -1.9928 0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6450 2.2711 -0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6248 0.0236 0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8746 1.9915 0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0285 -1.3229 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5888 0.4931 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0383 -2.9549 -0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6291 -1.9927 -0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 23 1 0 0 0 0 3 7 1 0 0 0 0 3 18 2 0 0 0 0 4 11 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 13 2 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 13 17 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 M END > 43524266 > 0.6 > 1 204 228 35 264 387 77 281 324 59 90 374 57 25 312 47 375 335 259 278 29 63 109 364 292 219 74 112 300 286 164 284 91 372 200 163 384 289 68 107 144 356 393 376 288 92 305 302 329 327 325 13 221 149 295 233 9 7 316 370 352 280 332 23 380 72 216 251 307 61 333 308 396 53 366 140 330 99 283 229 42 263 349 21 328 368 365 131 170 345 95 346 55 155 156 360 306 31 297 143 236 231 395 317 65 171 141 190 244 184 242 290 20 311 174 279 298 24 119 386 339 132 383 185 371 262 36 97 128 11 309 80 195 220 363 123 64 122 45 379 197 358 83 89 369 50 255 41 201 265 230 166 271 133 299 261 27 378 227 192 100 212 296 137 343 390 183 323 373 151 235 226 214 246 367 357 167 30 177 193 102 234 304 198 158 28 147 239 322 49 196 256 344 291 232 314 397 353 287 124 56 34 70 385 275 33 118 361 2 350 40 318 135 19 54 194 398 139 241 267 44 268 199 351 294 17 224 86 105 168 207 154 142 136 93 209 96 161 175 157 66 334 26 359 223 78 173 176 206 12 134 85 337 391 270 101 58 210 117 342 248 178 179 104 110 321 60 388 260 146 125 15 301 243 186 381 213 273 215 73 106 6 114 202 348 319 76 394 182 5 382 249 159 208 81 338 153 52 252 88 152 150 69 253 145 377 14 347 203 67 303 274 272 237 218 191 276 62 46 240 269 111 4 87 75 250 121 313 113 205 22 355 18 341 127 94 315 238 211 245 3 277 392 181 38 354 48 98 247 254 222 84 32 389 16 188 8 120 162 258 43 336 148 169 129 266 82 160 326 165 293 331 282 71 103 340 180 225 310 39 257 320 116 189 130 285 187 362 108 126 138 217 79 115 172 37 10 51 > 29 1 -0.57 11 0.1 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 0.16 19 -0.15 2 -0.73 23 0.37 27 0.15 28 0.15 29 0.15 3 -0.62 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.4 36 0.4 4 -0.9 5 0.44 6 0.2 7 0.17 8 -0.14 9 0.57 > 5 > 7 1 1 acceptor 1 2 donor 1 3 acceptor 1 4 cation 1 4 donor 6 3 7 13 17 18 19 rings 6 8 11 12 14 15 16 rings > 19 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 029820AA00000001 > 54.3659 > 35.521 > 10090160 65 16370721526389594682 10670039 82 15864638246249694246 11128504 68 17676492760986797420 11287383 113 18342739641509929228 12236239 1 17894630344287833487 12390115 104 18270405967375641377 12730499 353 18410862062147329002 12788726 201 17774158985884603241 128620 24 18186236229863941078 13760787 19 18409161100141563195 14123238 8 17095241419183171621 14366163 111 18413387627260341064 14528608 73 18186802495658832444 14573314 32 18131634465180267549 15885798 251 12463573971944798610 17349148 13 16008746892557204748 17844677 252 18201726153818568680 1813 80 13973973120837810752 204376 136 15213301923808147032 20645477 70 17418099784892080142 20681677 155 18410292519176378755 21033648 144 15792581914430900302 2215653 11 17561076995486462589 2297311 6 18343588438885762077 23035841 295 18413109454712502274 23175994 123 17275102843138870017 23402539 116 9223230737437829001 23557571 272 18411141311819433548 23559900 14 17917705824958735656 239999 70 18273216400631517590 300161 21 17894622631054103509 3004659 81 18341335488226771358 345986 75 13901356858855548206 34797466 226 18272658982052934036 351380 180 7925912577835827423 3545911 37 18343021094843095844 42 15 9007059075878031504 4325135 7 15574719118610340227 465052 167 15052014593379287180 4990 188 18342459236159364910 5104073 3 17822568288185411913 542803 24 17312822675707941356 59755656 520 17530682130582431114 960060 61 16200146604087512824 9841814 1 14333116461027140690 > 370.2 14.18 1.52 1.14 2.15 0.33 -0.12 -2.65 2.63 -0.79 -0.11 1 0.18 0.04 > 781.392 > 206.1 > 2 5 10 $$$$