67245078 -OEChem-03282406333D 40 42 0 1 0 0 0 0 0999 V2000 -0.5871 2.5525 -0.1194 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1846 0.3653 0.0981 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7361 -0.8157 -0.4082 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1088 0.3259 0.8701 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9919 2.4730 0.4294 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0533 0.9358 -0.9506 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9356 -1.2656 0.7350 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4381 -1.0282 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5225 0.6123 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6349 0.4137 -2.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2095 -2.7474 0.9861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9239 0.9289 0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1507 1.2372 0.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4494 0.8318 1.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3043 -0.0217 0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0431 -1.3856 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3485 0.5606 -0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8264 -2.1672 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1318 -0.2208 -1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8707 -1.5847 -1.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0064 2.0298 -0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2447 -0.7078 1.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8936 -1.2695 1.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0588 -1.6978 -0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8496 1.1789 0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1572 0.9357 -1.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7243 -0.9820 -0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -0.6765 -2.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5994 0.6845 -2.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2717 0.8426 -3.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9354 -3.3598 0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2699 -2.9207 1.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6342 -3.1056 1.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2818 0.2687 2.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0256 1.7142 1.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2332 -1.8515 0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5611 1.6224 -0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6232 -3.2292 -0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9446 0.2328 -1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4805 -2.1930 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 27 1 0 0 0 0 4 12 2 0 0 0 0 4 13 1 0 0 0 0 5 13 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 M END > 67245078 > 0.6 > 3 360 270 336 136 230 207 166 185 306 324 328 151 345 46 286 250 91 262 323 370 341 154 195 295 297 147 273 131 339 56 84 216 232 258 371 281 158 332 246 274 115 284 260 234 319 186 237 74 137 325 116 73 296 9 124 193 109 208 304 294 303 162 335 310 182 184 112 261 249 226 231 68 291 225 58 282 148 149 317 279 361 227 177 82 289 244 12 176 251 277 340 224 205 272 67 98 367 243 290 344 189 103 354 353 134 181 269 347 88 318 369 60 81 210 44 78 135 358 257 293 102 87 305 333 320 172 292 362 173 52 334 287 248 190 253 264 349 167 327 165 32 157 133 187 204 49 71 337 202 143 168 35 110 106 240 150 54 331 61 37 245 85 346 95 326 311 17 321 357 142 316 206 111 201 100 28 329 351 322 132 213 161 180 364 276 263 352 34 338 66 275 8 170 146 252 359 313 343 302 31 90 83 55 307 350 114 169 197 221 372 26 99 101 41 280 330 342 70 363 119 164 156 211 7 300 145 36 122 24 50 266 59 160 43 314 65 123 222 121 267 23 235 152 299 129 198 29 33 348 108 155 212 183 20 144 366 139 233 117 120 315 45 288 97 21 94 309 254 196 27 22 200 63 47 174 92 271 255 215 368 217 25 356 355 48 153 138 242 259 247 229 86 239 219 199 125 285 76 6 93 365 15 140 159 80 18 214 2 118 75 96 113 308 42 128 238 278 89 241 51 175 236 57 38 223 268 283 39 69 178 312 191 4 127 218 105 53 265 192 130 107 203 72 13 5 256 19 301 141 220 188 40 179 126 1 171 209 16 14 298 77 194 10 11 228 163 104 79 64 62 30 > 24 1 0.18 12 0.46 13 0.34 14 0.32 15 -0.14 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.82 20 -0.15 27 0.36 3 -0.9 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.57 40 0.15 5 -0.51 6 0.37 7 0.27 8 0.37 9 0.27 > 4.2 > 7 1 3 cation 1 3 donor 3 2 4 12 cation 3 4 5 13 cation 5 1 4 5 12 13 rings 6 15 16 17 18 19 20 rings 6 2 3 6 7 8 9 rings > 20 > 0 > 2 > 0 > 0 > 0 > 1 > 1 > 0402141600000003 > 40.5284 > 35.748 > 10498660 4 17968094196865951276 10928967 22 17632576003305618318 11128504 68 16153428354590534078 11543360 7 17312823770998357348 12553582 1 18060129934476586870 12596602 18 14907886202310394319 12623949 98 17833008396078873323 12670546 177 17749391485609595492 12892183 10 12319441200209295388 13103583 49 16988017071202391835 13402501 40 18410863186801565195 13533116 47 17845088648812505819 13544653 18 18060699485557514920 13583140 156 16771533239135505993 14178342 30 13326578496823500229 14251732 14 16588595322064790627 14251732 17 10591774155531446998 14251757 17 18409162208011147307 14251757 5 18262799549733879653 14251764 30 17632030671360701566 14252887 29 18059565919413591632 14386348 63 18411134748982512138 14617045 38 18260833691879008475 14790565 3 17689154505091619449 15188451 53 14117216365938379469 15537594 2 17703791440224133294 17349148 13 15051725421990129821 17870717 6 18333733507496826503 1813 80 17632306674332876516 193927 3 17988935444134107854 20281475 54 18341335496357581752 20374829 77 18410289181812560674 20645477 70 18201990062663511376 20693207 138 18260542368267623877 20871999 31 18040718064856032705 21033650 10 17096369436783470748 212916 134 13110973024044010335 21713013 43 18186238428808101518 221490 88 18264491856820549867 2215653 11 18341322336835963765 22950370 63 18341060656767583744 231179 274 8142089762443940328 23227448 37 10809639120278797473 235170 7 17821726100869891966 23557571 272 17967809466193728348 23559900 14 18409161125695381432 2838139 119 14996286925015737950 2871803 45 18411139100417366146 3004659 81 18114460051211674362 312425 83 16661206910859696398 314173 41 18408602582393911952 314194 84 17775282768493738110 329604 57 18408610258049128374 351380 3 17418094304397668270 3737641 26 16485868895701149958 4259306 186 18201717315181477334 46194498 28 17968380177031578756 465052 167 17703792534997740470 474 4 11963394020550834404 6669772 16 17765725998399769516 90316 7 15051735287461015523 94968 8 18202281386469476938 960060 61 18342733005727577940 9709674 26 18118399777240658899 > 395.52 11.51 2.54 1.41 2.82 0.28 0.52 6.62 2.99 -0.72 -0.41 -0.26 -0.05 1.96 > 819.101 > 227.3 > 2 5 10 $$$$