522458 -OEChem-10261506163D 25 24 0 0 0 0 0 0 0999 V2000 0.3944 1.4861 0.7323 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7726 -0.1935 0.9325 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0777 -0.1213 -0.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 -0.0879 0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2384 1.1559 -0.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3218 -0.8130 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0741 -1.3396 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2943 0.3128 0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6096 -0.3996 -0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4557 -1.0097 -0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5189 -0.2439 -1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8438 0.7928 0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8196 -0.0143 1.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8801 2.0157 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 1.1021 -1.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9248 -1.7073 -0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5556 -1.0877 1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8808 -1.2970 0.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 -1.4368 -0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4802 -2.2378 0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0645 0.5730 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7002 1.1991 0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4248 -0.1495 -1.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3366 -1.2172 -0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0577 0.4720 -0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 3 11 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 14 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 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 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 M END > 522458 > 0.6 > 1 334 203 296 101 182 288 119 318 255 117 183 2 170 22 172 91 142 323 8 92 49 217 268 54 275 23 127 270 319 210 74 251 213 292 317 204 195 67 194 111 306 263 269 140 207 169 262 184 205 224 173 51 333 80 159 264 118 208 112 289 279 241 9 114 90 335 5 273 322 192 300 190 53 283 261 144 246 259 52 185 102 189 6 186 158 239 99 7 29 198 222 137 231 145 175 290 27 238 330 174 211 226 113 227 218 177 4 155 202 149 278 285 18 293 97 328 131 63 272 332 110 77 197 236 299 229 121 232 310 321 254 196 28 329 336 209 179 253 78 65 109 199 225 252 206 223 180 167 315 64 71 245 82 326 83 276 146 295 230 274 69 271 247 107 305 152 168 38 164 240 249 331 280 106 162 3 46 43 160 312 42 163 212 13 235 313 234 133 44 277 122 266 187 314 93 301 138 216 265 147 178 220 47 303 96 243 73 123 89 165 282 72 250 40 48 214 130 166 81 191 308 154 10 120 201 176 128 105 17 132 14 284 316 103 188 237 244 320 87 98 136 104 32 66 221 171 258 20 148 325 267 233 50 193 59 304 248 30 39 161 15 58 327 21 16 157 56 36 35 151 12 88 286 324 45 228 309 41 34 124 108 60 126 68 24 125 11 116 200 311 215 150 242 134 100 219 129 297 307 25 84 33 260 156 181 153 141 115 135 257 302 70 76 143 281 298 55 287 256 139 31 57 37 62 94 95 19 294 79 75 291 85 61 86 26 > 4 1 -0.23 2 -0.23 5 0.23 8 0.23 > 6 > 2 1 7 hydrophobe 1 9 hydrophobe > 9 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0007F8DA00000001 > -6.4166 > 10.149 > 10149128 111 10665225947303372927 11987891 27 18343862225496297591 12815109 37 18272649056166851552 13549 16 17095522872526640846 14251717 144 18335420149348657578 14252887 29 14189306988300797293 177051 138 18201442445875173158 17834072 14 18059852844192207985 20201158 50 18335145284205042858 20211469 26 18342178821923551330 20645477 70 18334016120123061719 20653085 51 14635166658245429525 20671657 53 18187369800856843612 20711983 171 11314318260337005240 20711985 327 17275109443986626249 20742870 56 17967531285329852378 20828058 19 18340773654537085266 21119208 17 17458343039744321695 22485316 2 18342735247531441159 22959321 60 13542469726265897483 23532345 42 16988848276106888452 3086196 2 17988362546899428808 9882013 296 11167943558923427651 > 192.91 8.23 1.35 1 3.64 0.25 0 -4.24 1.09 -0.73 -0.11 -0.06 0.13 -0.23 > 312.779 > 133.7 > 2 5 10 $$$$