5364435 -OEChem-10091910113D 39 38 0 0 0 0 0 0 0999 V2000 -1.2325 -0.5285 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4867 0.3239 -0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0678 0.2107 -0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7856 -0.4068 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2878 -0.6828 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0079 0.4642 -0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 0.0674 -0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3084 -0.2769 0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8457 -0.7894 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5242 0.5969 -0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 -0.0580 -0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0796 0.1810 0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3525 0.8984 0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3017 -1.4290 -0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2051 -0.8671 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4114 1.2335 0.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 0.6468 -1.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0521 0.5402 -1.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1403 1.1107 0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7779 -0.6856 1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8469 -1.3362 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2934 -1.0294 1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2254 -1.5723 -0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 0.7615 -1.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9562 1.3840 0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6512 0.9510 0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5674 0.4380 -1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3155 -0.5929 1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3757 -1.1836 -0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7912 -1.6675 -0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8603 -1.1707 0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4428 0.0471 0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5643 0.9060 -1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5037 1.4968 0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2562 0.2795 -1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9473 -0.1586 1.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2068 0.2490 0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4135 1.2079 -0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4351 1.7928 0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 5 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 M END > 5364435 > 0.8 > 1 296 154 352 9 84 283 210 350 36 62 329 137 16 213 31 114 56 225 43 111 356 73 83 4 184 234 157 241 312 69 127 339 79 288 30 141 181 258 3 96 39 136 186 355 177 269 150 193 369 105 89 25 310 203 144 65 109 102 85 351 370 67 8 34 155 202 47 359 205 165 10 125 97 373 53 121 319 357 33 363 32 74 287 345 208 309 29 87 120 217 6 305 72 348 66 239 46 52 152 307 116 335 250 118 132 365 223 131 242 28 240 35 346 59 298 245 45 61 23 227 323 236 108 7 204 248 167 318 159 139 371 207 292 101 247 57 332 275 128 110 279 320 252 138 26 126 237 106 295 200 206 342 278 190 123 20 259 215 142 100 327 58 372 361 40 134 60 246 93 308 368 140 349 243 2 306 175 172 272 267 12 282 343 21 90 201 24 54 183 115 148 27 257 63 64 5 253 322 300 156 347 149 334 22 224 51 17 112 244 291 293 75 164 15 168 103 48 354 179 145 50 94 301 77 18 277 284 331 68 344 82 49 362 143 316 302 187 229 266 107 11 358 314 78 268 80 135 70 263 220 261 86 311 197 95 255 254 192 222 170 299 214 341 230 304 195 41 76 238 129 221 180 185 117 360 92 198 44 161 336 153 146 232 199 166 209 337 367 264 315 235 249 328 38 55 158 173 330 71 162 216 353 270 122 169 273 325 99 133 285 163 226 13 321 274 265 88 19 374 324 104 196 271 151 366 178 188 124 160 231 276 297 113 317 81 182 37 194 98 191 313 290 218 14 333 174 294 42 219 91 228 119 211 281 340 233 251 147 171 338 280 289 262 189 364 130 176 212 260 303 326 256 286 > 6 11 -0.29 12 -0.29 13 0.14 35 0.15 36 0.15 9 0.14 > 9 > 2 1 10 hydrophobe 1 13 hydrophobe > 13 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 0051DAD300000001 > -4.0713 > 10.149 > 10968037 39 17561363985496339871 11315181 36 17775287171547217227 11638347 137 17240195513936731250 12091667 2 18272652351414342623 12714333 28 18060138743269881554 13073987 5 17604141511096818768 13533116 47 16343427198424239278 13964095 4 11887958744072344787 14123256 10 14549019879660147738 1420 363 8214141862949560875 14251764 18 17894912940282637383 14251764 46 18410011035208592331 14729087 3 18187361005117418189 15048467 5 18202001032062538000 17834072 8 11743839170724070828 17834076 25 18410293609691662499 20281389 69 18259702285470436868 20621476 38 7997699696809677040 20735858 18 16081084883656378106 20767249 213 18272933834363731442 21130983 4 18272371983901007896 21150785 3 15123789595748805800 21267235 1 10375869693052126759 220451 1 15267340704326432095 22224240 67 18114179752454551082 23035841 295 11530484432701835545 23402539 116 15791731927502353459 23521765 1 18341895190345678855 246663 6 8718828703979218992 28498 318 10665219354539038848 33532 11 8430323432989114240 33684 2 18410855455833207498 42788 4 18408324375792263903 8209 1 18411138034616506741 > 267.53 22.46 0.86 0.67 3.17 0 0 5.47 -1.84 -0.28 -0.01 -0.18 0 0.27 > 475.9 > 174.4 > 2 5 10 $$$$