54208495 -OEChem-04252408193D 44 43 0 1 0 0 0 0 0999 V2000 -1.7005 -1.5201 0.6843 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5373 -1.4364 -1.6026 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8169 0.5008 -0.2781 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5324 0.4307 0.5735 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6938 -0.3325 -0.1835 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9340 1.3830 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0879 0.2746 0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5151 1.0952 -1.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3128 -0.0884 2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6527 -1.8625 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3801 -0.9234 -0.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2504 1.4948 -0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4791 2.8106 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2409 -0.6598 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3488 1.6690 -0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2559 -2.8355 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8574 1.4696 0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -0.1535 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2119 0.8969 1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1327 0.3693 1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0603 2.0237 -1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0398 0.4098 -2.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4279 1.3150 -2.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1128 -1.1594 2.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2219 0.0796 2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4851 0.4448 2.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -2.1731 0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -2.2831 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3343 -2.3462 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6168 0.5151 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0298 1.9378 0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1537 2.1352 -1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2983 3.3692 1.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 2.8059 1.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1637 3.3685 -0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -0.8993 -1.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2233 -1.5915 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2073 -0.1874 0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3131 1.6525 -1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6171 2.4019 -0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3373 2.0352 -0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2044 -2.8065 0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5501 -3.5143 0.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4446 -3.1966 1.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 17 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 18 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 19 1 0 0 0 0 7 14 1 0 0 0 0 7 15 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 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 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 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 M END > 54208495 > 0.8 > 4 120 284 248 208 291 266 265 285 114 58 71 13 213 33 93 138 172 149 243 5 287 178 161 253 46 289 153 52 275 258 204 263 272 311 68 49 280 301 269 29 17 180 252 308 156 232 163 313 315 100 271 74 277 84 154 249 241 24 148 244 70 127 219 75 62 86 140 139 296 118 51 250 162 273 107 72 233 186 261 306 103 316 168 238 64 76 94 78 220 283 303 193 170 297 260 179 205 175 312 174 143 81 290 53 126 43 151 183 97 77 106 42 165 274 218 36 171 164 182 44 259 267 152 131 281 147 309 117 229 222 99 262 141 293 196 14 92 11 225 210 305 9 307 247 88 198 132 158 192 255 304 61 40 119 200 57 299 28 236 234 298 282 279 129 201 73 268 206 270 254 317 276 318 39 37 108 31 224 212 237 302 133 89 194 278 203 22 207 144 199 26 310 211 217 292 18 146 110 242 19 185 223 69 177 82 79 85 257 209 128 60 48 155 314 10 104 166 123 150 239 116 96 286 80 109 228 41 8 47 167 130 95 136 98 295 142 157 169 121 173 27 197 45 112 300 83 115 124 34 226 264 30 187 189 190 20 67 246 288 3 134 113 102 50 21 202 23 137 25 159 16 181 12 230 1 145 245 91 176 111 216 256 191 235 63 215 87 54 59 90 105 32 38 251 2 240 122 35 56 214 160 184 221 101 125 66 135 65 55 6 195 7 231 227 188 294 15 > 5 1 -0.43 11 0.66 16 0.28 2 -0.57 3 0.06 > 6 > 7 1 10 hydrophobe 1 2 acceptor 1 8 hydrophobe 1 9 hydrophobe 3 6 12 13 hydrophobe 3 7 14 15 hydrophobe 5 3 4 5 6 7 hydrophobe > 16 > 0 > 3 > 0 > 0 > 0 > 1 > 1 > 033B27EF00000004 > 54.8517 > 35.855 > 12173636 292 18342452599939410364 12423570 1 14019239563201870037 12491281 212 18336838485125705480 12808571 1 18054221029855180041 12932764 1 17632016467908594936 12969540 114 17823397324316346181 13024252 1 13984666927694978493 13380535 21 18338244764808273078 13380535 76 18269552749940215454 13538477 17 18261666000178383984 14115302 16 18059851723627567824 14787075 74 17321546433133666642 14817 1 11755083107294717395 14993402 34 18188202109726555109 15775835 57 17676768656774759360 15906896 17 18343301423158295679 16945 1 18338251357324499225 17844478 74 18269843184334854034 18186145 218 17912367519886083868 18534176 82 18342457032197544303 20082192 1 17971445460952054416 20510252 161 18266744756314700362 20525323 117 18409443721837443198 20645476 183 18198622133729889740 21501502 16 18408599249736731890 21524375 3 18055631707600472809 22344851 262 18334582308761184868 22802520 49 18130500920305582200 23236772 104 18186516631067335201 23402539 116 18200582597501560965 23419403 2 17468731427324672333 23557571 272 18337681931019227590 23559900 14 18272928290283717066 25610 137 18120660394437254684 2748010 2 17984400100060886297 430814 3 18046903784230349057 528886 8 18340198592791771920 58051976 100 18409451362964291958 5845 1 10436210886731173015 69090 78 18336263431732689965 74978 22 18337392643549739872 81228 2 18269535269723994793 9999458 23 17619363012991947109 > 317.53 5.33 2.71 1.33 4.81 0.57 -0.06 -0.71 0.47 -2.01 -0.33 -0.39 -0.03 -0.1 > 599.869 > 199.2 > 2 5 10 $$$$