2961810 -OEChem-04162411003D 52 56 0 1 0 0 0 0 0999 V2000 -7.7599 0.8520 -1.9013 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.5156 2.5080 1.5590 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.4294 3.1308 -0.3068 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.4887 1.7706 1.0186 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7972 -0.7320 -0.7272 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5551 0.7855 0.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8228 -3.5299 -0.2881 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -0.7791 1.1443 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5764 -1.2165 0.1635 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2798 1.1105 0.4869 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5262 -0.6994 0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5559 -1.3670 1.3206 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0395 -0.5333 -0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7999 -1.6464 1.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4015 0.1370 -0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.0185 1.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7558 -2.6374 0.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6078 -0.4312 0.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8867 -0.0376 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1879 -2.5488 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8238 -0.7113 -0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8984 0.0749 -0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5781 1.2011 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4283 0.3842 0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4398 -1.3143 -1.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1326 -0.1568 -1.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 2.1937 0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6437 0.8752 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6552 -0.8235 -1.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2570 0.2713 -1.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0930 0.8428 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8109 1.9954 -0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2555 2.0500 0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5694 -1.6546 -0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -1.5256 2.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 0.1332 -0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0682 -1.4411 -0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8151 -2.6373 1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5882 -1.7967 2.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 0.2762 -1.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3841 1.1408 -0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 -0.1026 2.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9402 -1.7027 2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6248 -3.5156 1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1563 -2.7962 -0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9776 0.8410 1.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9860 -2.1477 -1.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -1.0516 -1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3444 3.0907 0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1171 -1.3007 -2.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0800 0.7217 -1.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5820 2.7514 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 33 1 0 0 0 0 5 19 1 0 0 0 0 5 22 1 0 0 0 0 6 18 2 0 0 0 0 7 20 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 19 2 0 0 0 0 10 23 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 11 34 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 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 17 20 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 23 27 2 0 0 0 0 24 28 1 0 0 0 0 24 46 1 0 0 0 0 25 29 2 0 0 0 0 25 47 1 0 0 0 0 26 31 1 0 0 0 0 26 48 1 0 0 0 0 27 32 1 0 0 0 0 27 49 1 0 0 0 0 28 30 2 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 31 32 2 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 M END > 2961810 > 0.8 > 5 296 87 233 183 20 284 83 245 302 304 120 42 117 36 305 266 272 276 215 200 232 76 288 98 241 138 264 47 65 41 68 306 165 228 257 106 72 291 160 318 136 190 128 253 37 323 100 161 147 189 292 219 16 114 176 244 97 145 52 315 118 67 58 240 64 275 206 144 3 297 56 237 17 209 220 152 122 184 316 263 258 148 40 92 164 59 203 116 322 113 282 231 31 139 182 311 309 61 299 27 29 301 324 150 317 187 44 108 133 321 222 1 7 175 146 320 66 157 6 271 119 129 259 295 142 307 313 43 226 170 294 178 62 273 300 195 135 210 85 71 227 109 54 77 19 177 201 93 260 265 199 290 213 289 234 125 45 30 308 163 247 151 18 285 115 223 88 26 70 252 33 57 270 86 23 50 255 191 325 103 123 149 96 63 174 69 39 168 104 202 2 95 153 196 286 38 185 91 180 243 167 217 4 204 140 246 124 49 207 198 141 283 211 89 101 35 154 261 159 254 214 278 267 73 121 94 46 24 248 112 293 60 205 131 80 21 102 314 221 126 279 34 75 298 53 216 268 81 9 48 188 11 130 193 12 287 8 303 310 238 262 55 242 134 132 312 212 225 82 277 84 281 229 15 105 224 13 78 194 158 51 111 239 218 236 74 110 166 90 137 319 156 181 25 274 230 235 14 197 127 155 10 280 172 162 79 32 143 179 28 22 208 107 99 171 250 192 251 173 269 256 249 169 186 > 38 1 -0.18 10 -0.57 11 0.18 12 0.33 13 0.27 14 0.27 17 0.06 18 0.57 19 0.3 2 -0.34 20 0.57 21 0.12 22 0.14 23 0.23 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.14 29 -0.15 3 -0.34 30 0.18 31 -0.15 32 -0.15 33 1.16 4 -0.34 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.28 50 0.15 51 0.15 52 0.15 6 -0.57 7 -0.57 8 -0.81 9 -0.24 > 5.8 > 8 1 6 acceptor 1 7 acceptor 1 8 cation 5 5 10 19 22 23 rings 5 9 12 17 18 20 rings 6 21 24 25 28 29 30 rings 6 22 23 26 27 31 32 rings 6 8 11 13 14 15 16 rings > 33 > 0 > 1 > 0 > 0 > 0 > 1 > 4 > 002D319200000005 > 73.8275 > 40.718 > 10 15 15285358418271143078 10369192 42 18409450267847910535 10454371 7 18131073714234875304 10533779 47 13623792970756733356 10670039 82 18272365348630326657 10835480 77 18411981390817317286 10930396 42 13840261465246089901 10952577 141 17345201004994850921 11456790 92 14707196752747563116 11578821 258 18044099188837796860 12082328 90 18272088318322477031 12760667 363 11239996767847420479 13383668 90 17346875672402747933 13512321 179 17023477451587048252 13673619 4 12751240307364022226 13690498 29 17844518019453057735 13782708 43 13830125092074655778 14340393 91 16702300157014164401 14394314 77 18334860472614503325 150020 25 17704071833191059096 15064981 194 18116447018619399446 15183329 4 18410568474798399542 15188451 53 10375870766767616298 15276724 80 18262231128044526788 15350500 55 16950833722850005565 15461852 350 17560802160117663901 15510800 12 12535349051244265364 1577012 14 18335415755517745858 15979999 66 16917064491035951352 1754908 1 11818993007129206724 18603816 31 12463279341900076733 20105231 36 17489583511771678967 2026 5 13470688148549524805 20505436 4 18259982660798994043 21033648 144 17894623735040494879 21033650 10 17775288240582981291 21095123 145 8790889584563758202 21298829 104 18260831501387398796 21424621 283 18334579014231196635 21756936 100 17603585261725409619 21792965 106 17533756253182216549 23559900 14 18129095792095918434 23576562 1 18056750147011862325 25269216 80 17917419961506734719 255183 313 14056723460839159499 3178227 256 15068342324467743740 3633792 109 18130515163298174982 3711267 37 17603592932705955332 397830 11 14923948924952116355 4098825 35 18130225956483396622 4107672 100 17703503372367245287 4403749 210 16805322189731038195 44389302 135 10735341775045658220 445580 204 18411700976122704185 44880568 143 18265903630615920380 4516262 110 18113610154345397207 4567818 161 18339368581635963008 504579 68 17346884446873063952 5385378 56 17385721366688530650 5470011 282 16200434693857418652 5718773 13 10015576203428331953 5758199 1 17967814946698130906 5937810 71 18412547630056687648 6126387 218 9367350315102610787 6328613 192 18409165528168299904 6475588 51 18411415107627571608 68570916 9 11458723715367110822 9953998 17 12396294851420212703 9962374 69 11167932568518868314 9980921 221 17274830112436201097 999808 66 9511465524109665812 > 626.62 28.22 2.71 1.51 30.01 0.2 0.11 -22.64 10.57 -3.23 -0.6 -1.47 0.05 -1.48 > 1380.399 > 340.2 > 2 5 10 $$$$