61293 -OEChem-09042103473D 27 26 0 1 0 0 0 0 0999 V2000 -1.2009 -1.3030 -0.7474 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4101 0.5481 -0.0557 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3476 -1.4401 0.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2117 -0.2339 0.1975 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4544 0.6387 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7624 -0.1294 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 0.5859 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9723 0.7721 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3204 -0.2488 0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6804 -0.1001 0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7765 0.9105 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2358 -0.6708 1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4459 1.0296 -1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4229 1.4987 0.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1019 1.4068 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0843 0.9962 -1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8264 -0.9680 -0.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 -0.5502 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9595 1.6038 0.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9952 1.1863 -1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8955 0.2055 0.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5161 -1.9364 -0.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7878 -0.5089 1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7452 -0.9143 -0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7636 0.4475 -0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6718 1.3416 -1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7137 1.7404 0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 22 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 9 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 M END > 61293 > 0.6 > 1 340 348 62 82 161 371 264 20 306 68 295 216 254 222 177 60 147 41 239 18 170 149 55 316 220 148 289 333 349 5 75 309 219 101 77 213 13 364 322 343 79 182 325 65 179 320 232 351 357 7 360 146 22 358 302 310 78 209 155 113 202 332 45 375 238 2 241 369 374 71 236 190 31 266 115 353 280 150 129 346 118 292 127 27 328 286 354 173 98 203 105 277 194 14 243 307 218 136 251 283 164 365 23 53 58 117 212 294 318 38 175 54 144 168 373 225 142 159 104 304 192 350 199 109 102 211 26 19 94 172 356 344 315 85 284 282 183 268 224 210 154 49 246 66 29 308 51 347 227 3 126 247 367 187 81 253 76 16 368 124 48 221 255 42 329 57 143 50 339 141 111 244 206 287 250 151 96 92 335 323 176 274 40 259 267 338 370 135 73 372 134 363 52 205 312 122 330 153 70 359 165 32 237 87 128 9 355 181 331 345 324 341 35 270 169 108 321 64 160 299 293 61 99 189 314 281 17 74 342 327 226 138 326 37 231 196 290 258 191 235 319 152 256 63 184 207 4 114 301 234 90 366 362 298 230 100 197 248 95 10 167 352 80 276 300 125 185 296 171 91 28 334 8 83 337 249 291 15 72 261 12 233 336 174 140 21 156 89 163 33 145 361 120 215 262 110 180 303 107 24 285 84 178 240 288 139 311 252 137 46 67 195 214 275 106 133 228 130 119 186 93 272 25 132 204 123 265 36 86 6 30 193 208 200 59 121 162 43 313 11 69 34 273 131 263 103 56 188 157 39 201 44 158 305 112 297 317 271 217 166 242 279 245 223 257 116 229 198 269 260 278 97 47 88 > 8 1 -0.68 10 0.28 2 -0.43 22 0.4 3 -0.57 4 0.28 7 0.06 9 0.66 > 6 > 4 1 1 acceptor 1 1 donor 1 3 acceptor 1 8 hydrophobe > 11 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 0000EF6D00000001 > 6.1264 > 20.301 > 11062470 55 17967533471473584697 12932764 1 15051157983732171225 14123238 8 18113900472300807653 14252887 29 11386359318946288536 14325111 11 18411981321976352275 14993402 34 17989203746366987373 17834072 33 17988920115168981821 17834076 25 18410575084689647585 18342897 14 18334295370364741825 187816 3 16487257668759213299 20279233 1 17095532768637680475 20645477 70 18270399373825401703 20719005 15 18409730659738286704 21119208 17 17918277562599834580 21293036 1 17846499227145530049 22485316 2 16660360376999804043 23402539 116 17704347766979573421 23402655 69 18271239435506227365 366044 4 18272932726246656759 42788 4 18408323284891806073 449060 50 18113902654191523959 > 208.77 9.55 1.1 0.66 0.24 0.22 -0.02 -3.29 -0.14 -0.15 -0.05 0.05 0.06 -0.2 > 382.832 > 133 > 2 5 10 $$$$