12294 -OEChem-10261505383D 32 31 0 0 0 0 0 0 0999 V2000 1.2092 0.2695 -0.0477 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -1.7189 -0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4556 -0.3460 -0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6685 0.5884 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1306 0.4114 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9758 -0.1949 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5957 0.5417 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4432 -0.4526 0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9482 -0.1632 0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0785 -0.4970 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1821 0.7304 0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0970 0.8314 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4787 -0.9314 0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5176 -1.0675 -0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6611 1.1535 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5993 1.3171 0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0941 0.9829 -1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0575 1.1076 0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0630 -0.9039 -0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9754 -0.7803 0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4899 1.2252 0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5285 1.1694 -0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 -1.1186 -0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4645 -1.0511 0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0401 -0.8560 -0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 -0.7584 0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1415 1.4297 0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2303 1.3103 -0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1057 0.1494 0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0699 1.4190 -0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0529 1.5218 0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0558 0.3052 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 11 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 M END > 12294 > 0.8 > 1 107 47 256 12 370 34 271 63 356 8 155 263 10 340 139 369 83 350 118 355 244 104 200 240 206 168 203 24 364 234 114 237 222 19 322 57 357 37 109 161 89 70 152 105 339 71 325 336 305 184 121 21 252 78 158 53 186 160 312 363 2 144 299 328 149 66 23 176 366 82 60 319 167 72 277 45 233 254 260 345 4 250 211 329 171 27 17 279 293 39 290 101 301 99 298 106 175 59 308 9 85 232 320 270 354 5 148 86 55 146 7 131 141 183 245 227 351 165 126 282 346 289 368 358 20 276 67 202 48 92 177 43 257 6 246 102 150 287 228 142 127 318 145 326 333 307 342 11 284 15 306 35 295 316 174 130 343 181 65 309 100 159 3 129 296 44 314 213 321 216 332 88 280 32 220 361 310 154 348 265 49 259 69 133 74 147 360 68 205 266 334 22 178 224 97 362 58 41 120 170 157 122 40 51 248 198 112 182 247 30 349 103 197 94 303 81 278 134 52 95 164 365 331 191 46 300 98 136 226 173 330 119 208 193 230 125 73 90 189 341 16 190 261 371 255 288 33 268 151 18 274 28 238 225 209 219 262 113 311 64 212 281 111 192 61 163 327 196 323 156 292 231 286 13 80 84 76 347 229 29 251 241 223 273 367 143 217 38 239 304 26 236 324 14 115 297 199 124 31 352 315 93 243 215 344 62 221 258 128 294 195 140 108 338 337 253 169 117 335 87 272 50 79 359 269 317 42 91 162 75 285 313 132 291 166 172 188 218 56 210 242 123 153 235 249 283 201 302 25 96 187 275 137 185 179 135 110 264 36 194 180 77 138 267 214 116 207 353 54 204 > 5 1 -0.43 10 0.66 2 -0.57 5 0.06 8 0.28 > 8 > 4 1 11 hydrophobe 1 12 hydrophobe 1 2 acceptor 4 3 4 5 6 hydrophobe > 12 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000300600000001 > -0.1636 > 20.298 > 10354089 29 17675925400386955220 11287383 113 15554158259301784498 114248 4 15554728875755985384 12714333 28 17561363980468240505 13533116 47 17917148300314296090 14123238 8 18410855460128187797 1420 363 8286200565078709536 15048467 5 18341895173772757049 15242439 84 13326850037329481799 15501527 16 18410856581114652072 17834076 25 18411981360119530385 187816 3 16917351441451975834 20281389 69 18334292050349942120 20605781 2 18341894095435018956 20645477 70 17488752168741854526 20767249 13 8790886284915830728 20767249 213 18408041827063270592 21130983 4 18409733966873998416 23402539 116 18130782382286348325 23402655 69 18131065992494820589 366044 4 18411418423172655098 42788 4 18411418410113348545 59345606 91 18408603652146658553 68521 5 9871479715709388635 8209 1 18413107259947264773 > 235.22 15.07 1.02 0.6 0.01 0.23 0 -4.82 -0.51 0.08 0 -0.01 -0.01 0 > 425.007 > 151.4 > 2 5 10 $$$$