280190 -OEChem-10091916203D 25 24 0 0 0 0 0 0 0999 V2000 -1.3697 1.3395 -0.0644 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.7382 0.1225 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6213 1.2756 0.0543 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2366 -0.7658 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 0.0821 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8106 -0.5999 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4696 0.1129 -0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9868 0.3719 0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3017 -0.7684 -0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3165 -0.3636 0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5671 0.0539 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2836 -1.3581 -1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2519 -1.4430 0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0524 0.7484 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0266 0.7352 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8152 -1.2289 0.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8887 -1.2467 -0.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9088 1.0186 0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9587 1.0286 -0.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3587 -1.3634 -0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2734 -1.4474 0.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3899 -1.0038 0.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1447 0.3513 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4391 -0.9905 -0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4913 -0.2114 0.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 11 1 0 0 0 0 2 25 1 0 0 0 0 3 11 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 M END > 280190 > 0.6 > 1 101 388 194 22 16 250 180 338 36 357 12 223 370 373 106 94 353 300 9 383 375 287 43 327 312 184 330 336 204 279 17 296 295 130 195 14 298 384 34 58 13 155 258 40 282 25 371 108 308 57 261 321 42 316 224 369 35 176 179 294 237 267 273 69 355 26 206 362 365 18 385 113 6 138 351 48 251 389 158 212 271 216 218 314 379 19 98 236 49 72 253 5 288 79 341 172 382 307 246 122 157 222 386 214 135 262 242 137 10 291 63 364 361 111 304 326 309 170 256 347 377 320 81 205 345 128 381 177 324 284 132 235 339 189 24 232 148 134 103 378 313 117 387 8 131 27 359 84 239 275 178 319 266 280 293 337 142 66 363 268 136 210 333 328 3 33 202 29 243 61 368 335 147 372 95 219 163 154 360 305 171 188 217 46 118 54 265 356 263 358 354 209 156 318 15 234 174 221 315 140 201 203 367 68 229 220 105 71 143 89 167 350 166 50 346 292 21 276 334 153 245 141 340 164 325 169 269 59 199 187 303 193 208 248 241 226 39 281 254 125 74 255 55 311 165 249 331 274 290 211 121 90 47 182 198 230 76 73 259 227 186 70 231 352 200 390 173 380 228 41 297 127 238 302 80 2 278 332 114 247 349 185 37 257 146 244 119 306 45 310 264 207 342 323 329 285 191 376 289 88 83 225 64 99 123 213 196 159 145 270 160 112 183 82 175 162 120 52 44 110 272 133 197 344 32 23 348 286 374 51 38 78 77 233 161 56 240 252 126 190 86 62 149 107 67 85 129 30 168 28 75 115 93 343 87 322 150 124 301 11 144 4 151 109 366 104 317 92 139 60 96 192 102 260 20 53 215 91 152 7 97 181 31 283 65 100 116 299 277 > 9 1 -0.57 11 0.66 2 -0.65 25 0.5 3 -0.57 4 0.06 6 0.06 7 0.45 9 0.06 > 6 > 5 1 1 acceptor 1 10 hydrophobe 1 2 acceptor 1 3 acceptor 3 2 3 11 anion > 11 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 0004467E00000001 > 3.8461 > 25.431 > 11062470 55 18113900463874331911 14123238 8 12179846104282271619 14325111 11 18411136922452098670 17834072 33 17917988429970579479 17834076 25 16732703848108117763 187816 3 13479134588515701453 20279233 1 18335993007849536123 20645477 70 18272091539579831262 20719005 15 18410575089242986755 20767249 13 18334011701076292383 22485316 2 18335417972153393531 23402539 116 18412538808858038911 42788 4 18410856560288636043 5374978 207 18408880746119629544 > 208.77 10.38 1.05 0.6 1.93 0.2 0 -0.47 -0.6 -0.34 0.01 0.06 -0.02 0.02 > 387.297 > 130.9 > 2 5 10 $$$$