65276858 -OEChem-04232408353D 31 32 0 0 0 0 0 0 0999 V2000 2.5665 1.9805 -1.2905 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7247 -0.8566 1.7174 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 -1.7456 -1.0263 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 2.2372 0.0915 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 0.4410 0.5646 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 0.7148 -0.9263 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6668 -1.1565 0.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5267 -2.3974 -0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7456 1.8942 1.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7347 0.9273 0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0106 0.0375 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4214 1.5155 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0779 -2.8109 -0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6715 -0.4203 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7242 1.3720 -0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5974 -1.3233 0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 0.4691 -0.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5867 -0.8786 -0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -0.9529 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2483 -1.3819 1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9902 -2.2088 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0734 -3.2289 0.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2707 2.8087 1.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 1.5138 1.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0683 3.0470 -0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5769 -2.9778 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5155 -2.0550 -1.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0318 -3.7435 -1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 2.4194 -0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5479 -2.3723 0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4203 0.8148 -1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 14 1 0 0 0 0 3 18 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 25 1 0 0 0 0 5 11 1 0 0 0 0 5 12 2 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 13 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 M END > 65276858 > 0.6 > 1 36 348 359 101 60 137 242 325 336 18 358 253 205 172 5 331 237 112 324 43 88 369 340 275 42 328 173 188 28 308 366 141 271 17 343 135 283 313 46 239 119 75 319 52 114 349 39 212 315 198 133 322 115 320 15 50 342 203 151 162 6 122 97 84 178 249 280 193 344 12 96 299 102 334 321 367 147 291 285 303 199 231 113 8 76 139 363 174 355 23 191 364 222 218 160 53 21 269 38 310 296 183 181 116 277 58 66 326 314 337 372 44 103 189 3 330 168 62 136 170 63 270 120 146 108 93 83 30 238 149 256 362 126 70 263 56 360 345 64 306 220 143 182 124 323 295 200 118 223 86 274 87 111 59 7 356 40 260 250 333 184 236 34 282 106 307 217 207 100 144 261 171 94 247 232 211 138 107 357 10 9 13 272 351 65 110 22 68 341 49 365 245 35 294 309 47 339 251 266 241 159 154 213 161 32 221 361 350 278 67 31 276 196 234 279 164 20 11 265 302 305 163 152 125 69 4 312 267 90 293 202 370 150 248 190 244 123 229 130 281 95 29 243 169 167 98 33 215 346 132 224 254 354 37 85 82 194 158 208 121 259 140 371 240 148 327 300 74 128 233 284 257 206 262 51 329 79 289 185 55 335 176 225 268 219 338 25 292 226 347 201 317 180 214 228 301 264 298 227 109 16 230 186 192 77 24 286 99 19 368 61 235 297 41 197 352 353 210 290 54 175 92 105 273 216 318 373 142 127 246 187 78 258 165 91 287 209 316 195 145 155 153 73 288 156 179 26 57 304 255 14 80 2 117 45 104 252 166 89 311 72 157 332 134 48 131 204 27 177 71 81 129 > 20 1 0.18 10 -0.14 11 0.34 12 0.46 14 0.19 15 -0.15 16 -0.15 17 -0.15 18 0.19 2 -0.19 25 0.4 29 0.15 3 -0.19 30 0.15 31 0.15 4 -0.85 5 -0.57 6 -0.51 7 0.18 9 0.51 > 5 > 6 1 13 hydrophobe 1 4 donor 3 4 5 12 cation 3 5 6 11 cation 5 1 5 6 11 12 rings 6 10 14 15 16 17 18 rings > 18 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 03E40BBA00000001 > 21.8592 > 30.677 > 10062212 137 18412821357333876219 10616163 171 18412832377882497198 10968037 57 17844253921343963366 116883 192 18191867812742350476 12553582 1 18338814346244025104 12596599 1 17701834176056307374 12824470 246 17845938528203339059 128993 33 8357960148642437966 14251705 54 18411704296069308738 14251757 17 17754154419667698973 14289901 80 14476961189941530648 17834072 14 18339632357088096994 18186145 218 17312819377178404281 200 152 18342455967072178092 20281475 54 18342460330880536585 20626108 58 18189034461487586074 20645477 70 18261392286175928386 21503847 285 8142090887878313726 21634736 98 18335991865767783662 22802520 49 18042688480283316769 23559900 14 18340476812310457664 238 59 18190744330612022874 26353 1 17460052686189759284 2748010 2 17326345822415424376 4280585 95 18047759196441756990 463206 1 18271237347952161815 5161694 15 17603301535784519189 5262128 65 18336275543788326210 57003041 12 10230882566364159220 633830 44 17603301544949628845 9709674 26 18333736818505181058 > 344.79 7.85 2.85 1.17 1.26 0.7 0.07 3.54 -2.34 -1.66 -0.49 0.19 -0.11 -0.7 > 710.777 > 200.9 > 2 5 10 $$$$