14254 -OEChem-10012102583D 33 32 0 1 0 0 0 0 0999 V2000 4.1212 -1.3516 0.4004 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2197 0.5334 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0342 -0.2732 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4915 -0.2263 -0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3054 0.4720 0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7457 0.5999 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 -0.3222 -0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 -0.1310 -0.3291 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8612 0.3909 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2615 0.7134 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1099 -0.4054 -0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1913 1.4945 -0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2346 0.7545 1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9979 -1.2444 0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0578 -0.4732 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5237 -1.1761 0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4669 -0.4686 -1.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2938 0.6527 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3346 1.4517 -0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7654 0.8168 1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6901 1.5599 -0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5557 -0.5197 -1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -1.2982 0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0065 -0.3807 -1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8650 0.6029 1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 1.3584 -0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 0.9435 1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2446 1.6529 -0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 0.1649 -0.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 -1.3640 0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0077 0.1513 0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1596 -0.6050 -1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1432 -1.1340 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 M END > 14254 > 0.6 > 1 118 248 389 22 376 62 327 259 3 377 167 334 366 173 15 310 77 105 348 141 268 293 363 84 345 18 301 37 159 378 213 4 349 371 17 12 119 76 160 364 255 80 339 198 227 172 2 279 116 238 230 278 130 242 322 20 369 11 237 390 251 210 245 383 111 300 394 379 27 33 87 165 108 85 298 284 107 346 16 302 66 374 246 344 221 185 205 83 35 306 247 367 239 154 69 354 117 60 96 388 67 226 31 199 49 266 253 73 350 180 25 51 94 100 98 157 219 6 223 137 384 136 109 8 182 343 81 387 392 178 47 179 9 368 270 357 211 323 54 153 249 347 328 234 41 152 362 193 43 360 244 19 64 189 42 158 195 265 220 129 341 171 335 338 122 372 169 74 82 267 340 102 391 5 294 14 75 285 7 134 286 260 324 58 218 124 382 148 40 127 282 318 291 168 361 295 53 197 358 292 380 296 243 145 336 125 297 59 29 314 170 149 308 113 115 264 166 273 370 224 21 312 164 139 61 232 280 351 188 26 359 203 225 56 304 386 177 101 10 70 142 356 112 44 208 393 79 34 337 147 375 333 146 181 241 120 133 202 365 78 99 257 228 131 128 200 204 385 121 92 236 212 187 329 144 326 176 155 138 325 288 240 89 30 196 342 151 316 192 313 161 46 93 214 373 276 110 39 104 103 140 317 261 183 233 38 63 86 174 32 206 331 269 114 45 235 215 319 50 330 252 277 23 332 97 156 194 186 191 254 355 307 91 289 48 71 281 352 13 274 68 320 305 231 90 36 353 57 216 290 258 163 65 126 217 150 143 283 106 381 190 55 135 132 275 229 299 222 272 175 262 24 123 303 52 271 287 88 309 28 321 162 72 256 263 95 207 184 315 311 201 250 209 > 3 1 -0.68 33 0.4 8 0.28 > 7 > 3 1 1 acceptor 1 1 donor 1 11 hydrophobe > 11 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 000037AE00000001 > 0.1911 > 15.223 > 11287383 113 17313109686770889465 114248 4 17603867810137514409 12815109 37 18411982468273827293 13533116 47 18341611473834409618 14123238 8 18130790061798694989 1420 363 17821454564784834699 14251718 22 18260547848714270475 15242433 33 18411138047765425654 17834072 33 18343300396508131085 17834076 25 18410856572529985716 20645477 70 18261672567753617706 20719005 15 18342458140589270013 20767249 13 17917711301416382725 22485316 2 18408040723372746098 23402539 116 18202559571517329573 366044 4 18410012147953716939 42788 4 18342458144757727701 522135 26 18334295362291421066 57483677 66 18409165524137420939 8209 1 18413952793648813677 > 220.51 14.21 0.91 0.65 6.5 0.1 -0.01 0.59 -0.03 -0.58 0.07 -0.04 0.01 -0.27 > 390.078 > 144.8 > 2 5 10 $$$$