66231650 -OEChem-03292403363D 26 25 0 1 0 0 0 0 0999 V2000 -0.6255 -1.1615 -0.6330 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0065 1.4871 0.8844 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4582 1.0754 -1.2785 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3682 0.1300 1.4572 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0214 -0.3941 -0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1687 0.4386 0.0411 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6778 -0.1497 0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 0.1689 -0.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0082 -0.6268 0.4005 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1103 -1.6788 0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5004 0.7110 -0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2782 -1.4608 -0.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -0.1491 -1.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 1.5041 -0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7322 -0.4206 1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4085 0.9085 0.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7709 -0.8831 -0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3648 0.4129 -1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2902 0.7813 -0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6503 -0.5082 1.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1626 0.6592 1.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5616 0.4389 1.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5137 -1.8240 -0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9471 -1.3639 1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7543 -2.6437 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3233 2.3521 0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 2 26 1 0 0 0 0 3 11 2 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 M END > 66231650 > 0.6 > 2 266 223 365 199 192 209 24 402 305 111 351 258 229 22 244 72 71 403 237 99 4 345 197 344 226 8 41 359 329 310 36 11 353 297 246 40 379 349 153 131 340 117 233 143 206 289 14 243 29 330 200 230 278 238 26 398 361 346 343 44 231 159 324 373 298 224 171 187 301 53 122 6 341 184 165 309 28 211 25 32 335 31 356 275 248 396 332 154 392 62 251 77 23 133 357 274 227 387 352 281 282 253 15 260 300 336 10 252 355 134 214 108 202 391 164 263 176 285 177 383 247 174 17 322 180 259 250 358 325 280 89 382 399 204 100 47 303 52 295 354 30 254 188 50 272 377 191 169 348 7 389 203 222 369 381 270 35 3 190 38 265 33 83 178 368 37 218 378 167 326 375 395 334 228 205 163 147 121 307 102 198 119 195 370 170 183 249 138 311 283 73 126 360 114 400 112 70 388 313 339 284 210 376 78 213 109 161 232 384 113 394 76 215 84 405 144 277 273 95 186 239 105 59 193 19 39 316 279 271 128 217 156 142 371 323 241 290 240 189 181 173 179 397 9 5 136 58 242 182 385 97 94 166 42 308 319 347 127 68 160 57 194 145 129 12 67 338 79 292 155 130 75 212 60 287 327 208 162 43 104 256 98 20 216 85 404 96 314 236 374 269 106 168 288 65 207 294 103 364 139 234 317 88 116 306 393 220 321 148 304 296 66 175 21 56 312 257 261 34 69 146 245 115 101 54 118 380 157 92 255 135 151 225 172 267 386 63 367 221 81 18 185 55 110 124 74 219 302 1 286 318 149 331 86 320 372 80 268 299 328 123 46 13 137 16 61 141 48 90 264 262 366 401 362 49 51 337 64 291 276 45 152 140 201 315 342 27 293 120 107 390 91 333 196 132 158 87 93 150 125 363 235 82 350 > 11 1 -0.46 11 0.66 2 -0.65 21 0.36 22 0.36 26 0.5 3 -0.57 4 -0.99 6 0.27 7 0.23 9 0.29 > 5 > 7 1 10 hydrophobe 1 2 acceptor 1 3 acceptor 1 4 cation 1 4 donor 3 2 3 11 anion 4 1 5 7 9 hydrophobe > 11 > 0 > 2 > 0 > 0 > 0 > 1 > 1 > 03F29D6200000002 > 8.8948 > 35.579 > 12932764 1 17676486146721427916 14144814 61 17822006536422142970 14325111 11 18412266129531452902 15775835 57 18113901533015279057 18186145 218 16343988030995290558 1986462 14 18411425020316047638 20112054 60 18202563981715402561 20645464 45 18272941509243683215 20711983 171 17967530160159216646 20765181 27 17775563161070150738 20828058 21 18335143115826696814 22485316 2 8574438599626394220 23402539 116 18336543928111433303 23500284 214 18271253711935275961 23557571 272 18272664462446755143 3248919 1 18408598162941181566 > 213.5 7.78 1.37 1.07 6.03 0.03 -0.07 -0.96 -0.42 -1.73 -0.02 0.24 -0.14 0.28 > 381.131 > 139.6 > 2 5 10 $$$$