3722386 -OEChem-04252406333D 34 35 0 1 0 0 0 0 0999 V2000 -4.2723 1.3992 0.1504 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1199 0.3764 -0.0146 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6104 -1.1978 0.9726 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 -3.4127 -0.1719 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3474 2.2902 0.8198 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6516 1.7625 -0.1002 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -0.0579 1.2329 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9157 0.6025 -1.2045 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9358 -0.9000 0.4839 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3394 -1.0896 0.1196 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2407 -0.1909 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5927 -0.6687 -1.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5328 0.8559 -1.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7967 -0.7460 -0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5763 0.1045 -0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1558 1.8405 0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7611 1.3818 0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9217 -1.8419 0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2497 -0.5079 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6101 -2.1375 0.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2678 -0.5694 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8893 -0.0641 1.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5946 -1.0005 -1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8746 -1.1083 -2.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 1.2123 -1.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0878 1.2687 -2.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6649 0.0200 0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8033 -1.5761 0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9405 -1.1023 -1.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4491 2.6263 -0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3068 2.1566 1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9349 2.0729 0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3332 -1.2846 -1.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5457 0.2445 -0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 18 2 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 M END > 3722386 > 0.8 > 1 70 122 205 349 96 330 238 243 358 246 245 88 60 183 248 95 47 276 188 163 137 344 66 85 148 272 145 126 283 133 124 348 341 50 197 227 189 128 181 48 264 4 157 54 261 251 301 155 185 90 97 38 98 319 268 134 345 282 213 192 5 350 104 76 56 202 320 223 305 239 284 237 331 16 125 334 262 201 254 7 304 187 111 309 119 217 19 23 115 177 233 22 229 199 61 69 77 235 218 286 326 211 277 99 173 269 253 100 162 297 256 259 35 274 317 178 307 354 34 228 58 318 352 250 10 105 293 83 190 224 112 80 210 182 184 314 51 226 339 219 103 86 161 72 18 291 57 236 169 110 13 289 91 343 170 87 31 266 303 92 129 20 43 11 342 41 94 323 196 59 45 263 214 311 346 24 46 179 325 113 281 356 32 265 240 206 106 357 40 89 203 160 109 193 300 313 158 302 132 130 15 290 225 25 164 174 6 267 241 204 136 53 322 198 195 141 8 74 220 315 252 324 207 138 221 310 278 171 208 64 212 168 191 49 52 28 249 68 166 298 102 230 27 3 271 147 287 78 285 351 292 338 65 33 335 146 165 42 270 154 107 153 295 232 279 139 275 39 288 30 194 120 114 108 336 75 294 81 337 359 156 280 234 2 79 186 127 82 244 29 159 116 316 222 14 71 93 215 308 12 117 149 36 26 209 333 329 121 150 258 62 44 9 306 321 347 55 143 37 360 299 247 142 135 296 260 353 200 172 67 255 273 144 361 257 340 180 73 63 355 176 17 167 152 84 175 140 216 327 328 123 21 231 101 312 151 118 131 332 242 > 20 1 1.09 10 0.3 11 0.11 13 0.11 14 0.24 15 -0.28 16 0.24 17 -0.29 18 0.58 19 0.37 2 1.09 27 0.37 3 -0.37 32 0.15 4 -0.38 5 -0.65 6 -0.65 7 -0.65 8 -0.65 9 -0.73 > 6.2 > 7 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 5 1 10 11 12 13 rings 5 2 14 15 16 17 rings > 19 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 0038CC9200000001 > 20.2382 > 35.557 > 10803635 8 14117523108302422973 11089746 13 18342728651020837314 11405975 8 18263922301761477586 12107183 9 18262790766889535794 12596602 18 16081092605644066384 12616971 3 14404914642839270938 13103583 49 12396580681203734703 13177829 73 18411415077503648208 13544653 18 10231757798788971026 13911882 115 11602811385840858744 14123255 352 18408886226413431485 14123255 52 18410575076374234051 14251764 30 12396574092839992672 14251764 38 18125431166816798824 15183329 4 18412268298948847278 15788980 27 17346604096887738558 1741750 31 18408885156998671651 193927 3 11527943499910780909 19784866 240 9583224060165422073 200 152 12031790270585016166 20645477 56 18409737295542315515 21033648 29 18411695525772282736 21054139 6 12175629460527099972 21315759 148 14273738421868490256 21388113 180 17198804587314073880 21421861 104 17677599896841322938 23402539 116 18272366481778765908 23402655 69 18202567254585853548 23557571 272 18268720565714583767 23559900 14 18202570583987887350 2838139 119 18410565176421856309 351380 180 18343300375022946448 351380 3 10879989151357929045 4214541 1 18409449227880131982 5104073 3 17968089889351455224 59682541 35 18188223052830966721 59755656 520 18334293175984840671 6328613 192 18261118530237144100 9981440 41 18335986394064228603 > 377.95 13.66 2.6 1.13 8.86 1.24 0.13 -7.61 0.48 -2.25 -0.18 -0.25 -0.02 -0.15 > 722.938 > 233.4 > 2 5 10 $$$$