5634 -OEChem-09042105363D 33 32 0 0 0 0 0 0 0999 V2000 6.2965 -0.8123 -0.1023 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 1.2443 0.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1663 0.4194 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 -0.3272 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.5103 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3856 0.6022 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 -0.1462 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7197 0.2376 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9003 0.8283 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9161 -0.7102 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2776 0.2238 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2325 0.0251 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5968 -1.0746 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 1.0042 -0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2236 1.1356 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -1.0367 -0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -0.9197 1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3396 -1.1088 0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3325 -1.2140 -0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3495 1.2828 0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3229 1.2259 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 0.8726 -0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7883 0.9116 0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7391 -0.8516 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8062 -0.7323 0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7965 1.4081 -1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8478 1.5466 0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9006 -1.3378 0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8666 -1.3550 -0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0977 0.9382 -0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6382 -1.3791 -0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8482 -1.8564 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1465 -0.3232 -0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 33 1 0 0 0 0 2 12 2 0 0 0 0 3 4 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 8 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 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 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 2 0 0 0 0 11 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 M END > 5634 > 0.8 > 1 122 351 55 123 241 12 13 409 140 6 57 254 435 32 387 17 298 259 90 68 376 268 288 5 33 186 3 31 379 229 35 10 25 160 338 314 51 262 143 54 234 424 227 2 441 19 104 28 305 280 175 394 34 46 105 16 368 63 182 98 432 48 226 352 260 307 137 366 205 357 339 309 176 389 256 240 75 385 321 56 50 162 348 113 355 237 82 95 83 312 11 427 235 194 159 22 360 43 414 212 167 346 431 273 302 141 27 197 39 365 290 418 41 404 278 336 36 299 171 367 23 156 282 130 323 374 8 249 99 73 294 402 147 286 206 243 138 289 401 168 139 350 353 74 202 200 112 349 440 390 96 436 225 215 255 208 86 94 388 154 58 37 333 332 397 15 396 296 134 258 152 14 128 347 371 26 100 136 248 163 81 426 378 386 91 325 29 66 71 263 62 354 146 204 337 214 116 412 267 155 292 231 308 300 21 88 285 239 252 246 393 20 78 422 164 127 419 84 125 276 106 180 52 319 369 381 372 196 132 335 380 111 120 320 76 410 284 153 324 216 344 330 49 318 434 245 403 97 257 430 30 316 293 242 9 192 199 61 310 317 38 253 228 399 362 425 272 24 77 107 313 297 47 341 327 42 70 398 173 345 121 4 279 145 383 7 149 92 219 115 135 287 198 157 281 177 277 375 65 363 230 303 405 67 40 370 356 232 328 190 238 343 311 144 209 291 101 109 322 170 392 247 150 340 373 69 189 188 269 326 118 45 110 421 395 172 417 53 193 250 93 44 266 275 80 429 59 295 411 72 79 223 264 428 187 364 423 416 224 87 438 108 244 114 274 407 342 124 181 18 306 437 64 283 161 329 184 178 203 220 270 148 102 400 359 151 166 433 361 169 334 117 191 415 133 142 358 119 85 201 439 179 207 185 261 165 271 60 413 382 158 129 384 183 377 126 391 174 89 213 301 195 236 304 331 408 315 420 221 265 406 211 251 233 131 217 218 103 210 222 > 11 1 -0.65 10 0.06 11 -0.29 12 0.66 13 -0.3 2 -0.57 30 0.15 31 0.15 32 0.15 33 0.5 9 0.14 > 9 > 4 1 1 acceptor 1 13 hydrophobe 1 2 acceptor 3 1 2 12 anion > 13 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000160200000001 > 2.5694 > 20.355 > 10968037 39 18407760344240229023 11287383 113 18410294726441207801 12091667 2 17603868888981388249 13533116 47 17023174977923876632 14123238 8 17676205762629396145 1420 363 17775288265919969095 14251718 22 18409729560732996171 14251732 16 18410292553477867369 14251764 46 18410854356321579722 14729087 3 8430320121706264631 15716309 27 18272652359719577087 17834072 33 18273493498292780917 17834076 25 18410855455833201003 20621476 38 18270683057190827334 20645477 70 18270401569160351326 20767249 213 18259987084551153621 220451 1 15410895158678397557 22896161 15 18410574028676208487 23035841 295 17489868241573378855 23402539 116 18410007737143207709 23521765 1 18341894086539083783 42788 4 18410573976614368001 4463277 17 18412262831191845785 8209 1 18410573980856483861 > 255.8 18.92 1 0.6 2.11 0.01 0 -1.79 0.6 0.07 0 0.09 0 0.05 > 466.594 > 162.1 > 2 5 10 $$$$