43564694 -OEChem-04262408043D 36 37 0 0 0 0 0 0 0999 V2000 -0.4031 -0.1253 -1.1586 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9445 -1.4017 0.2304 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6899 0.9160 -0.8112 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2497 -1.7931 -1.0053 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3511 -0.7916 0.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0957 -1.4349 -0.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5868 -0.0247 0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2409 -0.7335 -0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0552 -0.3141 -0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4796 -0.5375 -0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1182 -2.1167 1.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8291 1.2174 1.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6145 0.1919 -0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 1.9468 0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2410 -0.5849 0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8566 1.4340 -0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1073 0.4751 0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5574 1.9214 -0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7664 1.7553 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6255 -1.8330 1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9649 -0.3701 1.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -1.3298 -1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5804 -2.4163 -0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3947 -3.1521 1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2373 -2.1389 2.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9302 -1.6435 2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1426 1.6329 1.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3182 -0.1957 -1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1525 2.9142 1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4982 -1.5863 0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7400 2.0022 -0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9087 -2.1441 -1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 -2.3335 -0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0461 0.3041 1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2448 2.8998 -0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4262 2.5964 0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 18 2 0 0 0 0 4 10 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 0 0 0 7 12 2 0 0 0 0 9 15 2 0 0 0 0 10 13 2 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 17 1 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 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 M END > 43564694 > 0.8 > 1 342 128 210 212 133 223 316 253 47 193 77 18 13 277 219 112 123 42 115 138 281 101 321 293 170 86 31 224 126 325 150 26 120 265 239 184 343 310 56 136 255 53 146 329 290 215 45 248 158 302 6 129 252 63 311 211 251 308 99 108 236 319 91 100 306 208 294 97 34 336 289 337 220 135 323 186 179 33 85 149 37 345 240 228 25 41 275 113 59 169 295 152 250 199 117 107 258 2 196 174 10 334 209 122 60 327 202 125 188 198 175 264 268 157 61 155 347 52 217 192 121 12 24 261 237 68 66 274 176 28 226 9 168 89 304 17 49 245 218 314 58 350 27 187 225 352 143 48 234 118 22 331 72 181 87 324 74 147 191 246 257 160 159 167 204 273 55 272 29 14 180 206 43 70 222 256 333 262 305 328 67 335 93 247 263 15 178 266 51 349 353 280 35 216 171 201 3 232 139 20 297 338 156 309 287 214 340 238 164 346 130 119 92 322 183 81 221 296 69 207 109 231 57 80 173 106 82 317 46 300 8 7 307 269 235 288 194 161 73 244 137 330 315 190 318 189 102 243 344 65 19 84 40 292 71 230 16 162 276 270 145 195 278 95 151 78 11 36 200 39 279 134 213 259 254 203 148 144 197 5 110 284 320 341 242 90 165 312 124 44 142 348 4 23 132 111 83 154 141 153 64 94 172 291 127 76 54 116 326 79 303 267 105 140 185 182 131 62 229 114 249 339 21 38 332 88 30 301 50 75 241 205 166 282 98 104 286 313 260 283 299 177 103 96 271 285 351 163 227 233 32 298 > 29 1 -0.57 10 0.1 11 0.3 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 -0.66 27 0.15 28 0.15 29 0.15 3 -0.62 30 0.15 31 0.15 32 0.4 33 0.4 34 0.15 35 0.15 36 0.15 4 -0.9 5 0.2 6 0.44 7 -0.14 8 0.57 9 0.17 > 5 > 6 1 1 acceptor 1 3 acceptor 1 4 cation 1 4 donor 6 3 9 15 17 18 19 rings 6 7 10 12 13 14 16 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0298BE9600000001 > 61.667 > 30.446 > 10014705 185 18410011018598591293 10498660 4 17775569719126671888 11128504 68 13686295803224316248 11543360 7 17846500335242045103 12236239 1 18341889684292797879 12596602 18 13190348967307857516 12633257 1 16515406300180501032 12670546 177 14764336159074256872 128620 24 15626226814222852348 13103583 49 11891326517775337711 13551218 46 7781519226514665809 13583140 156 13118565224395047982 13675066 3 14345792764299455782 14178342 30 17313681411638201523 14251764 30 11170178831967274256 14251764 38 18340490079068977832 14341114 176 8646764517245522061 14528608 73 18272368685202600892 14576447 43 10231752280325551908 14739800 52 18129642154811757576 15188451 53 15213591173103042113 15209294 21 18334295357389915909 15239191 94 9007057937511289944 17780758 139 11386629858798795508 17959699 21 18412545379667670545 1813 80 12031789166878680842 18186145 218 18187092736679741910 20281475 54 9367353613220405270 20300324 65 18131631197221702089 20871999 31 13614250264906426090 21033648 29 16443334364982852702 21503847 285 18337677421403780414 22079108 93 17968393273093362761 22950370 63 9439410142027199170 23402539 116 18412256264212879822 23402655 69 18272090495949555700 23503958 8 7925908171389097493 235170 7 15841563959010416228 23557571 272 17203895145244272608 23559900 14 17559393548236601951 245318 6 17536043490866162764 3472631 163 18271247102207752893 34797466 226 17060061492201134709 351380 180 18409446990408029056 351380 3 8935001468955591544 42 15 11241974767537660955 441001 317 18201999928171670473 465052 167 10737289026225768624 474 4 18260832613414448736 5104073 3 18259987063065833434 57724786 102 17240496826861408772 5924683 9 15141257588824937529 6328613 192 18187657959520410116 633830 44 18334297573988965486 67856867 119 18342167822291195634 83771 10 10159703482122189954 94968 8 10159697980638186428 960060 61 11815896769136146056 9971528 1 18337394847052650806 9981440 41 18408885169709630795 > 370.2 11.61 2.12 1.13 1.54 0.17 0.14 6.01 -0.41 0.36 0.26 -0.36 -0.22 -0.95 > 781.045 > 206.5 > 2 5 10 $$$$