7983 -OEChem-04182421333D 26 25 0 0 0 0 0 0 0999 V2000 0.1056 0.3253 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1643 -1.6008 -0.0023 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5038 0.4717 0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8184 -0.3031 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3013 -0.4614 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 0.5892 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5692 -0.1283 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0162 0.6326 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0634 -0.3818 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7263 0.8567 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4553 1.1208 0.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4472 1.1418 -0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8529 -0.9608 -0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8848 -0.9421 0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3186 -1.0906 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3141 -1.1009 0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1516 1.2021 0.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 1.2374 -0.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6419 -0.7438 -0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -0.8109 0.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9969 1.2618 -0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0295 1.2853 0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9469 0.0567 -0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6807 0.3215 -0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7010 1.4609 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6916 1.5320 -0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 8 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 M END > 7983 > 0.6 > 1 298 282 328 311 306 8 112 126 321 40 36 338 22 176 86 230 34 256 97 320 201 93 288 99 317 239 313 333 155 80 163 103 310 63 2 264 305 260 90 252 214 208 242 169 69 166 128 309 154 121 209 245 144 340 231 289 65 200 96 178 84 315 216 325 108 192 23 184 19 227 233 293 17 249 217 274 301 101 339 94 222 100 218 334 206 45 268 21 280 12 226 326 295 172 277 346 324 152 106 31 104 294 145 162 105 211 250 336 123 319 167 125 15 225 240 24 210 102 60 67 278 248 296 75 195 272 314 329 136 134 43 156 287 199 342 138 149 54 335 275 74 265 345 32 198 219 302 344 115 312 164 202 220 238 143 196 49 55 207 113 270 52 181 151 254 135 174 241 266 4 237 70 212 170 175 177 87 179 5 285 110 251 263 58 235 27 14 3 337 89 47 262 197 323 139 30 142 290 205 281 244 182 64 187 307 243 51 18 120 247 292 189 204 132 133 117 316 190 129 223 7 130 44 150 253 300 161 20 171 297 109 183 259 107 229 236 173 37 271 148 33 283 276 224 157 61 10 127 261 255 341 56 147 78 193 16 303 72 48 327 98 118 234 140 284 11 77 6 203 111 59 267 160 116 9 42 308 62 194 165 41 332 258 92 71 82 35 53 46 191 114 25 322 79 124 168 28 88 269 246 57 50 330 257 343 141 91 26 299 137 273 159 29 186 158 188 153 185 221 13 213 228 122 318 83 66 119 131 215 279 95 286 76 81 232 146 180 39 73 291 85 331 304 68 38 > 5 1 -0.43 2 -0.57 5 0.28 6 0.06 9 0.66 > 6 > 3 1 10 hydrophobe 1 2 acceptor 1 8 hydrophobe > 10 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00001F2F00000001 > 0.1375 > 15.223 > 11062470 55 17918274251084986876 12932764 1 17095787915369920660 14123238 8 18259703410651362252 14252887 29 13118279235792558088 14325111 11 18410855439143987691 15501527 16 18410858763269580201 17834076 25 18273496775811724644 18342897 14 18408041801335827289 187816 3 17132396111982712235 20279233 1 17703518757071987406 20645477 56 18409166632085781692 20645477 70 17346044368571428510 20719005 15 18410575093289949770 20767249 13 9727631696147481193 20767249 213 18259704518642375748 20828058 44 14418140625128123289 21119208 17 15267340721284877969 23402539 116 18201431480686549173 23402655 69 17988640753448211901 366044 4 18411136931200620115 42788 4 18410856559761258276 449060 50 18260268551185778198 > 194.06 10.12 1.03 0.6 2.82 0.22 0 -3.08 0.08 -0.32 0 0.01 -0.01 -0.01 > 349.672 > 125.4 > 2 5 10 $$$$