67244522 -OEChem-04192402303D 43 45 0 1 0 0 0 0 0999 V2000 -0.9394 -2.6572 0.2498 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3857 -0.3810 -0.0811 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8453 0.9992 0.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1028 -0.5427 -0.8680 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6358 -2.7173 -0.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 -0.8308 1.0034 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0274 1.3284 -0.7986 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5473 1.0026 -0.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7277 -0.4249 0.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8142 -0.2622 2.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2019 2.8092 -1.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1688 -1.0416 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -1.5239 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -1.2410 -1.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1121 -0.3977 -0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 0.9861 -0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 -1.0095 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7885 1.7582 0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9639 -0.2375 0.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7977 1.1463 1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 3.2375 0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3087 -1.9225 1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3828 0.7440 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9968 1.1538 -1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1153 1.6873 0.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1014 -1.0162 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3747 -0.6568 1.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8217 1.2224 0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8139 0.8327 2.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7974 -0.5903 2.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 -0.6018 3.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 3.4488 -0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 3.0426 -1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6121 3.0782 -2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0539 -0.7207 -2.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7032 -2.1769 -1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1612 1.4638 -1.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 -2.0868 0.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7494 -0.7139 1.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4619 1.7368 1.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9488 3.6392 1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 3.5120 0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1831 3.7174 -0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 28 1 0 0 0 0 4 12 2 0 0 0 0 4 13 1 0 0 0 0 5 13 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 M END > 67244522 > 0.8 > 2 236 249 229 51 147 139 273 117 151 25 202 175 248 132 131 221 67 112 134 93 103 263 219 178 253 53 69 244 251 258 185 153 274 239 180 193 157 207 88 133 45 155 234 241 270 268 208 122 220 120 128 77 255 163 140 218 235 10 257 237 80 245 159 177 181 58 124 201 165 142 101 108 127 250 87 227 192 213 210 170 262 20 137 179 172 164 223 110 135 24 203 216 59 85 231 54 61 240 187 22 66 150 158 167 162 94 171 264 126 199 130 190 71 81 243 96 200 247 111 40 33 168 189 136 32 56 267 259 138 62 194 141 226 39 173 60 269 83 230 152 115 79 64 72 233 183 65 265 118 41 125 260 50 154 206 7 12 42 4 266 70 225 222 232 30 13 217 272 18 188 149 144 166 90 23 105 107 76 84 15 224 211 246 169 261 34 116 195 228 68 174 82 176 21 252 148 254 92 113 197 212 44 146 160 78 238 184 205 17 31 26 86 14 161 242 46 98 271 182 104 214 109 37 63 191 196 89 256 204 11 38 209 119 123 5 106 97 75 143 19 3 28 36 6 186 73 114 198 121 156 91 99 16 215 49 52 47 129 43 35 102 55 1 9 100 74 48 8 57 95 29 145 27 > 24 1 0.18 12 0.46 13 0.34 14 0.32 15 -0.14 16 -0.15 17 -0.15 18 -0.14 19 -0.15 2 -0.82 20 -0.15 21 0.14 28 0.36 3 -0.9 37 0.15 38 0.15 39 0.15 4 -0.57 40 0.15 5 -0.51 6 0.37 7 0.27 8 0.37 9 0.27 > 4.2 > 7 1 3 cation 1 3 donor 3 2 4 12 cation 3 4 5 13 cation 5 1 4 5 12 13 rings 6 15 16 17 18 19 20 rings 6 2 3 6 7 8 9 rings > 21 > 0 > 2 > 0 > 0 > 0 > 1 > 1 > 040211EA00000002 > 43.0523 > 35.748 > 10319926 262 18040716931164424114 10763959 59 18340211804353930252 11552529 35 16662069133907313658 12403259 118 18113898268861298309 12403259 415 18410583855002264878 12596602 18 16081376301008027757 12633257 1 18338510937233090106 12670546 177 12607396702490749474 12769317 202 18200584813540934248 12892183 10 17822012068297835418 12925494 130 18121495757419987241 13103583 49 16225766298561066008 13402501 40 18337103480054841493 13583140 156 17386267870478659590 13914758 101 14273729647914884271 14178342 30 17313397690615160227 14251764 38 18411984624300651865 14466204 15 18192423083362772752 14957384 54 18335409175896574938 15188451 53 16733545052124307107 15537594 2 12179851597740557624 16988056 13 12738090994061325739 1813 80 12468641582113876722 18186145 218 18130804329770132662 193927 3 11674875555151475762 20281475 54 8358273548295747790 20715895 44 18268706126055815449 20871999 31 11959727174873154855 21033648 29 18335704918549089932 212916 134 17168428160571500465 21315764 268 18334289881591735989 21388113 180 18410569587137387820 21475661 188 18337103484507583572 21713013 43 11600005444407681960 22950370 63 8718830915818895743 23227448 37 18271523203673662503 23559900 14 18050002195244934107 314194 84 11674884402652282296 341906 21 17894918407929116221 351380 180 18409445869078420078 351380 3 13045941304880754672 4259306 186 8070035445328863914 465052 167 12468362344656164000 474 4 18131356310376930218 49207404 50 18334301971781957094 5081480 168 17272319884587846068 5104073 3 18044103358896398475 6328613 192 18411142463904546100 633830 44 17345774991916333159 7808743 9 18049449433317741300 88748 71 8573619502055661856 960060 61 8574434197031981346 9981440 41 18114463354130962267 > 416.1 11.59 3.01 1.38 0.55 1.05 0.46 6.63 2.73 0.32 -0.47 -0.62 -0.06 1.86 > 861.18 > 240 > 2 5 10 $$$$