206037 -OEChem-03121605213D 23 22 0 0 0 0 0 0 0999 V2000 4.3801 0.1981 0.3246 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1172 -1.1846 -0.1233 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 -0.1988 0.4066 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2573 0.3140 -0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6813 0.7197 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7821 1.4083 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7214 -0.3465 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1919 0.9770 -0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2995 -1.2787 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6622 -0.6085 0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0086 -0.5978 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2426 0.0578 -1.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 0.9307 1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 1.6557 -0.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 2.3115 -0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7643 1.6720 1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7237 -0.5417 -1.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4793 -1.2787 0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 1.8121 -0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2187 0.7590 -1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1979 -1.4527 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9397 -2.1520 0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3587 -1.1362 0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 10 2 0 0 0 0 3 8 1 0 0 0 0 3 10 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 7 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 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 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 M END > 206037 > 0.6 > 1 271 230 302 15 227 334 2 301 275 348 242 44 353 318 9 338 25 337 186 375 201 316 23 371 268 382 170 311 18 236 5 279 12 66 277 24 114 383 148 261 7 354 145 40 370 171 365 178 164 46 304 36 367 246 195 69 21 313 147 216 336 113 168 281 215 306 381 184 266 324 103 325 225 166 245 289 285 3 322 296 53 360 8 239 379 97 280 14 78 267 307 273 63 4 272 52 214 174 92 340 253 95 90 274 118 116 368 11 241 323 29 102 361 39 319 144 200 91 346 203 330 328 96 309 74 67 150 207 380 165 188 333 121 59 312 185 27 292 139 205 64 202 154 358 284 326 197 363 48 357 331 288 209 175 112 99 49 278 70 374 149 362 182 58 366 79 35 55 378 51 106 335 169 136 127 343 344 263 193 16 180 84 57 222 269 297 221 341 287 60 260 108 264 62 295 88 187 320 75 192 129 350 41 115 37 259 256 223 156 162 93 45 238 126 356 189 372 317 133 355 293 218 327 143 369 42 31 244 329 352 130 300 6 299 364 158 117 20 151 65 206 152 262 32 233 310 54 247 71 138 81 142 211 314 134 124 160 50 107 339 167 298 250 13 128 17 83 73 282 229 172 283 251 219 163 86 240 294 276 208 122 56 349 198 347 105 228 234 110 33 265 123 290 135 291 140 177 137 111 181 194 332 257 125 98 19 153 131 191 232 72 258 146 376 212 61 235 196 270 190 305 248 30 359 249 173 155 321 157 345 109 373 101 303 120 315 308 68 85 220 82 26 28 351 77 199 377 34 217 179 342 87 100 38 286 231 159 213 243 22 76 204 132 255 119 47 161 89 183 176 10 226 94 43 254 210 224 252 104 80 141 237 > 7 1 -0.46 10 0.57 2 -0.27 3 -0.55 7 0.23 8 0.25 9 0.23 > 6 > 4 1 2 acceptor 1 3 acceptor 1 9 hydrophobe 5 1 4 5 6 7 hydrophobe > 10 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 000324D500000001 > 7.0708 > 20.302 > 100836 57 9583522035583810947 12032990 46 18412826859276893452 13690532 89 18335139799700337998 14123238 8 18201720673856419582 14123255 352 10735612266819898675 14251718 22 18260553316793135916 14252887 29 17417821625440074718 14993402 34 16081090385335371664 15501527 24 17312824900379772386 177051 138 18408604760179642628 17834072 8 18114170944420398613 17834076 25 11025795401180899190 18342897 14 10952051156174236954 20211469 26 18333169474742128577 20605781 2 9007061266248178835 20724930 31 18342176682818834848 20767249 142 18335421270393020762 20767249 213 10807933765096591443 20871999 31 17240756264381807933 21119208 17 15574711417533381691 212847 35 8862947160883805550 22485316 2 18411697690588494337 23402539 116 18410007728553350965 23402655 69 12252176381461886611 23403322 49 18334574637986627755 449060 50 11887678376796419209 > 208.51 12.09 1.36 0.68 2.22 0 0 7.03 -0.17 -0.21 0.07 0.01 0 0.26 > 355.331 > 141.1 > 2 5 10 $$$$