6431042 -OEChem-10012103343D 26 25 0 0 0 0 0 0 0999 V2000 -3.8013 -0.1986 -0.3999 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0284 0.0252 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4195 -1.3589 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5546 -0.0194 -0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1117 -1.3054 -0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1619 1.3593 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7421 -0.8059 0.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 0.2874 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8573 1.2157 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1477 0.8005 -0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7301 0.4079 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6475 0.7279 -0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7419 -1.7481 -1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -2.0578 0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 -0.4097 -1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9425 -0.7018 0.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4839 -2.3258 -0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4602 -0.7381 -1.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8188 2.0574 -0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8901 1.7667 0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2538 1.3042 -0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5527 -1.4123 1.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8986 0.5162 2.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0737 1.2874 -0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9998 2.2241 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4887 1.4782 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 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 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 M END > 6431042 > 0.6 > 2 305 90 17 307 42 301 32 288 310 290 46 66 146 161 278 115 151 25 226 131 262 43 23 300 118 120 207 314 241 132 13 217 57 311 160 159 283 36 250 45 141 78 77 137 259 289 63 116 191 267 279 109 285 281 58 133 123 286 128 277 312 15 270 275 199 315 140 8 190 309 27 297 295 154 112 266 193 60 210 284 168 208 306 233 102 162 142 18 317 16 213 101 188 240 68 255 91 231 227 171 316 79 274 67 304 196 100 38 88 294 156 122 293 134 272 189 318 280 125 33 148 3 7 107 153 99 197 296 11 152 258 303 204 82 225 282 192 126 80 75 292 268 198 143 261 254 165 239 243 59 65 9 287 55 308 206 166 269 84 263 185 180 244 209 129 265 29 248 229 273 298 4 1 47 158 30 194 170 74 163 64 172 203 22 246 86 242 105 205 256 234 28 164 37 147 139 81 276 87 186 31 220 201 195 73 98 135 178 175 39 302 247 83 52 150 136 224 97 249 34 237 69 14 12 299 19 235 271 94 114 106 264 61 155 26 157 176 104 313 149 110 119 56 113 215 174 89 49 21 24 173 111 211 260 245 177 251 71 238 72 108 221 169 40 54 187 5 95 10 182 41 291 181 144 145 230 50 96 103 200 92 179 62 51 212 117 53 138 76 127 214 216 222 183 124 20 6 218 167 219 252 184 253 93 85 121 228 202 232 257 223 236 35 48 130 70 44 > 9 1 -0.57 10 0.45 22 0.15 23 0.15 26 0.06 5 0.14 7 -0.29 8 -0.29 9 0.2 > 6 > 3 1 1 acceptor 1 6 hydrophobe 5 2 3 4 5 7 hydrophobe > 10 > 0 > 0 > 1 > 0 > 0 > 1 > 3 > 0062214200000002 > 0.0372 > 15.223 > 124424 183 18113340782696952178 12897270 3 18129656396854705831 14390081 3 18335145236923180499 14897335 6 18412542115793244766 15775835 57 18343301457275499460 170605 34 18409166584841264798 17834069 15 8286199466004827783 17834072 32 18264777738961999756 18511873 20 11169917169273194821 20281407 28 10447923971105997556 20651381 17 17894351055618339935 20711983 138 10015576220824518087 20767249 442 18335136518714712432 20871999 31 18200013119941213407 21293036 1 17846497045365369282 21499 59 18342457040988166526 22096605 113 18412262813790203186 22485316 2 9223225239415557196 228727 97 16917072131059700202 22959321 54 18413670218902304760 23402539 116 17095519626270116255 328317 168 18409442622120230172 528716 315 16558749001286784497 58999712 33 12685079363983591367 > 199.93 7.04 1.46 0.91 2.83 0.05 -0.17 -3.16 1.17 0.44 0.1 -0.44 0.03 0.27 > 361.422 > 127.6 > 2 5 10 $$$$