65065793 -OEChem-04242420463D 38 40 0 1 0 0 0 0 0999 V2000 1.8702 1.0856 -1.5646 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1947 -2.6552 -0.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2828 -2.4327 0.8041 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4548 0.9329 0.2294 N 0 0 1 0 0 0 0 0 0 0 0 0 1.5003 0.4937 0.9183 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7095 0.4187 0.2893 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0332 -0.6233 -0.6110 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7533 1.6060 0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5841 -0.1483 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3594 1.8401 -0.0789 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1164 0.7808 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0998 -1.9828 0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3558 2.9945 0.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9717 1.1157 -0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0929 0.1579 -0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7174 -0.0609 0.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2976 -0.3402 -1.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5799 -0.8051 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1329 -1.0733 -0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7807 -1.3040 0.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7707 0.0459 1.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4853 -0.6672 -1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9154 2.2133 -0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9013 2.2308 1.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8473 -0.9414 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4474 0.2301 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5315 2.2947 -1.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1205 1.1659 -1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5447 1.5504 0.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7720 -0.0952 -0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3415 2.6316 1.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 3.6617 0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5405 3.6128 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2562 -3.5494 -0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 -0.1641 -2.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3146 -0.9912 2.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 -1.4679 -0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4431 -1.8764 1.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 12 1 0 0 0 0 2 34 1 0 0 0 0 3 12 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 14 2 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 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 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 M END > 65065793 > 0.6 > 1 222 209 160 145 24 225 224 180 168 188 120 204 161 69 262 254 229 153 230 164 201 132 178 196 100 220 214 182 170 239 106 193 198 48 27 98 126 216 249 51 167 35 44 157 245 221 169 96 185 136 130 149 56 16 53 111 236 78 152 194 45 34 134 202 219 47 58 33 176 115 243 211 32 31 17 184 154 20 112 159 117 60 172 50 105 173 191 41 171 203 217 261 237 189 109 190 155 124 55 151 246 18 89 80 13 121 67 227 119 12 39 240 104 205 88 122 228 21 68 162 91 175 258 174 71 107 200 46 86 179 64 166 158 129 75 81 62 234 147 90 61 95 242 15 38 206 210 123 76 42 82 108 226 118 40 30 84 233 248 143 192 256 259 101 260 247 54 156 195 2 208 125 66 85 241 137 244 218 94 223 252 73 37 215 212 127 133 77 231 36 92 177 251 57 63 22 181 79 99 163 103 140 59 19 144 6 186 97 257 250 197 165 253 4 255 138 9 114 43 146 65 139 23 29 263 199 150 8 70 183 11 131 74 110 207 49 187 25 116 128 102 14 87 148 235 52 93 3 213 10 232 113 141 72 142 135 28 7 26 83 5 238 > 22 1 -0.08 10 0.45 12 0.66 14 0.2 15 0.04 16 0.23 17 -0.15 18 -0.15 19 -0.15 2 -0.65 20 -0.15 3 -0.57 34 0.5 35 0.15 36 0.15 37 0.15 38 0.15 4 -0.81 5 -0.57 7 0.06 8 0.27 9 0.27 > 4 > 8 1 2 acceptor 1 3 acceptor 1 4 cation 1 5 acceptor 3 2 3 12 anion 5 1 5 14 15 16 rings 5 4 6 7 8 9 rings 6 15 16 17 18 19 20 rings > 20 > 0 > 3 > 0 > 0 > 0 > 1 > 1 > 03E0D34100000001 > 37.9291 > 40.723 > 10062212 137 18407759252944372743 10366900 7 17774718663009445708 10616163 171 18411139112833230806 11046707 91 18411135822829798540 11370993 144 16486703454632134946 11796584 16 18411702062849657046 12236239 1 18041565749793306572 12363563 72 18272372017917835535 12553582 1 18408598141313312249 12555020 224 18410001140479746583 12633257 1 18271257075005412329 12788726 201 18338526222415548624 13140716 1 18271805748102783809 13583140 156 14045446869563491511 14115302 16 18334018289165974837 14386348 63 17632298947591142062 14576447 43 18040716978920559030 15537594 2 18114186306543016010 15880784 105 16343410769704398118 16752209 62 18263632975326463529 17804303 29 18413107281875820849 18186145 218 13190337950595417188 18915474 69 18259989288338875014 200 152 17313106298606273300 20281475 54 18334573572502409572 20291156 8 18335421291820001148 20600515 1 18130516244633499113 20626108 58 18261949755877628812 20681677 155 18334579022873930529 21634736 98 18115029735393811934 22646028 28 18334857216753953350 22854114 59 14836116646217473356 232386 152 18412262852207714045 23366157 5 18119528996994288261 23557571 272 17916874500011607316 23559900 14 18341609334993430512 238078 22 18410020952631204028 3004659 81 18260831496881194574 314173 41 18411985775293299604 339767 52 18335413552521204694 351380 3 18113620053901928290 4921388 177 15936701461872096883 5104073 3 18201159957323065625 5385378 56 17908432355914331897 5486654 36 18335149734334312075 559249 180 18042963164483962233 5902787 121 18341612658828560632 602551 16 18271526395213937410 67856867 119 18262238932396099596 7226269 152 18059294249942682801 81228 2 17773053976540945505 9709674 26 18195241359313730075 > 393.74 10.59 2.5 1.21 2.36 0.24 0.11 5.34 0.41 -2.5 -0.5 1.17 -0.08 -0.72 > 831.549 > 224.5 > 2 5 10 $$$$