6428774 -OEChem-09042107153D 26 25 0 0 0 0 0 0 0999 V2000 1.2690 -1.3278 -0.0839 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3554 -0.3021 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6794 0.4649 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1437 0.6282 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8736 -0.4898 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1923 -0.1001 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 0.2672 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4184 0.7985 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6752 -0.0043 -0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6891 0.0652 0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3447 -0.9383 -0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2784 -0.9757 0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7022 1.0800 0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7495 1.1476 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1386 1.2557 0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2068 1.2818 -0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 -1.1540 0.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8395 -1.1233 -0.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2868 0.9151 -0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0321 -0.4344 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2725 0.8892 0.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4379 1.4483 0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 1.4238 -1.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7732 -0.6651 -1.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5802 -0.5355 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6498 0.7157 1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 12 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 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 M END > 6428774 > 0.6 > 1 205 4 173 310 271 263 158 275 240 269 25 276 294 262 317 79 6 48 325 322 198 199 154 189 57 327 328 102 293 21 318 11 67 188 329 280 244 3 226 24 297 165 64 112 88 171 253 15 316 46 259 99 145 302 8 147 252 164 285 34 10 313 186 290 29 9 309 5 222 272 228 89 216 56 167 13 22 39 182 224 295 311 51 323 282 150 237 194 326 17 266 58 291 283 204 168 320 181 156 2 239 232 166 16 41 177 261 152 300 132 315 238 31 38 324 40 93 304 160 274 137 305 33 256 267 37 200 229 231 103 250 148 287 65 210 319 45 192 23 146 60 172 43 54 289 66 296 35 257 230 321 19 207 138 106 47 190 217 235 308 128 307 233 260 72 187 32 76 277 12 306 184 125 140 127 298 236 219 117 7 196 27 84 129 14 279 193 83 255 144 70 249 109 95 214 265 30 50 86 44 108 126 55 142 59 135 211 209 101 251 111 157 123 170 197 124 155 100 96 284 185 268 81 241 61 301 133 53 52 62 312 74 85 114 141 174 254 49 195 26 110 213 119 149 225 75 314 299 223 248 183 90 151 273 82 243 107 159 234 286 134 242 247 218 258 270 246 162 98 180 161 73 122 120 18 206 281 163 221 202 94 136 105 212 28 178 215 91 169 42 80 208 87 20 203 179 227 139 220 176 78 303 292 245 288 36 69 130 121 77 264 118 116 113 131 115 201 68 278 104 92 63 191 71 143 97 153 175 > 9 1 -0.57 10 -0.3 24 0.15 25 0.15 26 0.15 4 0.06 6 0.45 8 0.2 9 -0.29 > 6 > 4 1 1 acceptor 1 10 hydrophobe 1 7 hydrophobe 4 2 3 4 5 hydrophobe > 10 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 0062186600000001 > 0.8546 > 20.298 > 11062470 55 17530966890812905637 11401426 45 18343298180310313473 114248 4 12031786967950019477 14123238 8 11672064146779319657 17834072 33 9799397936767918257 17834076 25 18411982460269364201 190213 19 17704358774885528037 20279233 1 17894640244715140507 20645477 70 18339359644077376479 20719005 15 18408604764332094189 20724930 37 17603585231565166286 20767249 13 18412542120050951007 20828058 44 18413108389893019631 21293036 1 10447930572671204528 22485316 2 16200432468188192173 23402539 116 17603860118167572655 23402655 69 18341890758567359005 366044 4 18409448098414808371 42788 4 18413389838915180281 > 199.93 10.38 0.91 0.66 4.06 0.1 0.02 -0.37 0.99 -0.11 -0.02 -0.18 -0.01 -0.02 > 361.955 > 128 > 2 5 10 $$$$