13864714 -OEChem-09042103343D 26 25 0 0 0 0 0 0 0999 V2000 1.3814 1.1873 -0.7317 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5514 0.3542 1.3492 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2172 0.2669 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5464 -0.4561 0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0239 -0.6877 -0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 0.5269 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3022 -0.0076 -0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5407 -0.8849 -0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0367 -0.1808 0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7659 -0.1182 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 1.0379 0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2571 0.7899 -1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7012 -1.2083 -0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -0.9890 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -1.4746 -0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0579 -1.1576 0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7741 1.0477 -0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5582 1.2886 0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6851 -1.2836 -1.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3575 -1.7218 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 -0.9293 -0.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -0.6840 1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8600 0.5403 0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9689 0.7455 -0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6517 -0.7609 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -0.4210 1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 10 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 9 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 M END > 13864714 > 0.6 > 1 307 201 21 186 352 291 183 10 366 261 84 346 129 213 171 338 350 192 340 12 274 4 280 329 119 136 204 158 304 371 172 144 2 153 355 245 22 120 13 227 16 363 341 45 354 319 332 361 123 241 117 364 58 327 240 76 138 214 351 32 17 68 369 25 335 29 294 15 267 11 234 50 333 165 247 88 189 212 266 193 59 79 357 78 323 358 67 35 325 232 372 321 99 269 359 135 52 344 63 209 39 343 249 275 97 125 30 324 131 231 191 157 53 180 259 149 87 118 216 298 96 299 94 143 152 14 223 122 233 286 146 347 218 217 229 162 156 73 54 349 185 71 322 200 60 145 85 271 160 281 69 34 256 46 362 72 128 130 306 260 194 370 80 100 137 179 107 28 51 328 336 210 178 365 228 27 292 19 255 116 148 198 18 285 177 166 134 48 283 248 236 239 40 62 320 345 251 101 348 70 243 273 211 3 140 155 9 102 112 290 250 168 268 203 264 92 230 26 113 296 106 284 278 253 287 295 6 316 37 334 20 31 163 312 151 289 331 43 272 337 169 147 167 205 282 293 317 91 263 61 161 174 301 57 313 127 139 41 237 89 159 110 199 367 342 353 197 188 215 190 90 303 176 302 81 5 315 82 206 300 108 47 38 115 184 258 309 42 49 235 219 181 330 44 56 154 65 182 356 164 265 132 142 175 109 103 308 326 86 141 121 339 288 279 262 207 8 276 222 66 226 133 23 297 7 220 208 77 95 242 187 225 221 254 150 105 75 24 368 126 314 244 74 310 98 111 93 114 311 360 33 36 202 83 277 124 170 238 104 305 196 195 55 318 252 224 64 257 246 173 270 > 7 1 -0.57 10 0.28 2 -0.68 26 0.4 5 0.06 7 0.45 8 0.06 > 6 > 5 1 1 acceptor 1 2 acceptor 1 2 donor 1 9 hydrophobe 4 3 4 5 6 hydrophobe > 10 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 00D38F0A00000001 > 1.5051 > 25.372 > 11062470 55 16343984697820964055 13922767 16 18409446998739487805 14123238 8 18342176674360736551 14251717 144 15213291998091214465 14252887 29 18336835203586055482 17834076 25 18131353016173638668 18342897 14 18113338613163610580 190213 19 18413112749495607319 20645477 70 13623523541743347432 21293036 1 9727632808459465378 22485316 2 15213022669382210499 23402539 116 18335977619614282351 42 15 18334014973561751667 449060 62 16559027220826017344 4990 188 10737284636494703457 > 194.06 9.05 0.91 0.83 6.16 0 -0.12 0.27 -1.97 -0.25 0.07 -0.53 0.12 0.24 > 350.109 > 124.6 > 2 5 10 $$$$