8186 -OEChem-09042103173D 34 33 0 0 0 0 0 0 0999 V2000 5.7850 -1.2492 -0.0287 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 0.5819 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7722 -0.3304 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7818 -0.1877 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0968 0.4392 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 0.7218 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3277 -0.4681 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3053 -0.0958 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6201 0.3484 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5332 0.8073 0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8466 -0.5449 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7886 -0.0225 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 1.2361 0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 1.2338 -0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7218 -0.9918 -0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7505 -0.9750 0.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8111 -0.8289 0.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8189 -0.8535 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1242 1.1363 0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1357 1.0475 -0.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9865 1.3658 -0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 1.3784 0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3058 -1.1716 -0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2984 -1.0634 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3147 -0.7624 0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3322 -0.7377 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6645 0.9236 -0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6357 1.0681 0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5528 1.4132 0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5455 1.4767 -0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8489 -1.1087 0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7589 0.0588 0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8783 -1.2581 -0.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7349 0.5444 0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 M END > 8186 > 0.8 > 1 306 158 324 328 313 46 76 7 205 129 122 168 8 144 304 26 296 282 2 161 59 97 27 208 291 91 243 55 28 56 233 136 164 4 286 130 156 58 78 322 50 41 224 261 186 25 119 206 32 264 146 44 275 68 21 279 274 70 45 16 312 265 276 18 288 60 245 53 215 339 30 22 135 295 287 11 5 198 267 100 43 47 65 325 128 201 101 49 320 133 225 315 87 240 37 222 6 273 69 35 271 235 64 154 223 236 188 42 330 132 277 170 211 82 234 192 57 147 13 34 118 36 229 336 249 54 99 251 15 71 24 72 67 232 299 40 254 285 302 184 209 145 326 166 126 148 93 311 89 309 319 111 183 88 106 332 113 74 20 176 241 23 256 157 138 300 217 173 124 121 51 318 159 152 269 120 338 337 12 175 231 333 19 108 155 230 79 252 103 105 293 258 102 294 212 213 259 142 262 193 39 31 33 218 141 182 83 270 172 52 10 308 280 48 187 216 298 66 125 62 335 301 116 228 38 191 104 107 3 109 244 327 92 77 331 219 127 86 292 169 310 163 114 63 94 268 143 29 210 95 167 195 14 174 75 117 307 171 242 194 61 214 202 185 112 98 9 123 200 17 90 281 272 323 81 110 305 96 221 289 204 329 140 260 246 239 290 196 134 160 80 137 180 153 73 115 334 226 149 207 253 84 151 131 283 85 190 314 317 238 263 278 177 139 150 179 250 266 199 181 178 162 197 321 284 227 203 189 316 297 248 247 255 303 237 257 165 220 > 4 1 -0.57 10 0.06 12 0.45 34 0.06 > 9 > 2 1 1 acceptor 1 11 hydrophobe > 12 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 00001FFA00000001 > -2.3361 > 10.148 > 10968037 39 8286199449109639313 12091667 2 17676205776242265773 12714333 28 9871750191390184125 12815109 37 10952052255838637665 13533116 47 13542195948424385220 14123238 8 13262395561649482348 1420 363 18186242831276134875 14251764 46 18040151825084250041 14729087 3 13182748014014418219 17834072 33 18272087222984119948 17834076 25 18410855469124265289 187816 3 15719392832575538269 20621476 38 18342177713965005070 20621476 8 18041277673989743837 20645477 70 18340488859857129654 20767249 213 8934999274221573689 21130983 4 9511460039204430599 23035841 295 18259984877328379787 23218964 4 18411980256460589421 23402539 116 17917988391263340805 23521765 1 18341895199136099489 42630746 31 17560806502889009718 42788 4 18410292519070786085 57483677 66 18410008844997174746 8209 1 18335421274914438532 > 241.09 17.99 0.91 0.61 5.24 0.06 0 3.16 0.11 -0.56 0 0.05 -0.01 0.06 > 429.916 > 156.1 > 2 5 10 $$$$