65979872 -OEChem-05042406003D 35 37 0 1 0 0 0 0 0999 V2000 -2.1455 1.3867 -1.1368 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7957 -1.8258 0.6482 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2306 -1.0225 -1.4051 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0431 1.4729 -0.0282 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.8908 0.3000 1.1884 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7498 -0.0684 -0.2667 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4004 1.3062 -0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3681 0.0986 0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2513 2.2499 0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5512 -1.2014 0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1263 1.9848 0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3591 1.1754 0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9221 -1.3234 -0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3163 0.2066 -0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0143 -0.2642 0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4224 -0.2685 -1.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8506 -1.2451 1.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2338 -1.2391 -0.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9533 -1.7225 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6325 -0.2555 -1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8922 1.6130 -1.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1517 1.3186 0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 -0.0248 1.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6702 -0.6356 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3195 2.5248 1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2896 3.1673 -0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6605 -1.0275 1.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0347 -2.1578 0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3054 3.0286 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0303 1.9874 1.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6991 -1.9162 0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6474 0.1042 -2.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6408 -1.6298 2.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0950 -1.6203 -1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5956 -2.4775 0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 13 1 0 0 0 0 2 31 1 0 0 0 0 3 13 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 12 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 21 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 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 M END > 65979872 > 0.6 > 2 225 118 179 144 159 39 177 202 92 163 107 256 106 84 265 131 217 188 221 95 153 260 48 116 183 190 254 63 234 88 271 173 124 82 209 248 240 169 162 230 152 115 259 126 143 227 196 253 219 161 232 132 85 105 117 192 122 211 123 208 160 238 237 37 201 205 186 185 176 187 75 261 31 49 103 266 212 189 268 191 180 193 198 134 121 158 246 199 141 214 43 80 154 258 164 264 270 93 243 74 170 38 130 98 47 136 150 120 16 236 263 203 54 171 167 241 147 233 140 59 267 133 76 148 213 57 89 101 235 11 41 53 26 83 228 247 90 250 46 206 12 165 66 142 244 245 210 51 157 100 249 174 229 42 55 251 77 182 104 81 5 112 204 239 255 70 113 242 102 108 223 4 13 156 61 216 207 181 79 109 44 9 56 149 73 91 33 224 35 168 86 166 64 8 58 36 87 151 231 119 32 7 24 125 146 1 67 99 69 220 29 96 110 194 68 45 195 178 129 262 175 94 78 3 222 19 62 200 257 252 137 127 27 15 22 23 226 71 6 215 40 138 72 155 145 269 34 20 52 139 218 172 111 50 135 114 184 10 30 18 65 14 17 197 97 128 21 25 60 28 > 22 1 -0.08 10 0.06 11 0.45 12 0.2 13 0.66 14 0.04 15 0.23 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.65 3 -0.57 31 0.5 32 0.15 33 0.15 34 0.15 35 0.15 4 -0.81 5 -0.57 8 0.27 9 0.27 > 5 > 8 1 2 acceptor 1 3 acceptor 1 4 cation 1 5 acceptor 3 2 3 13 anion 5 1 5 12 14 15 rings 5 4 6 7 8 9 rings 6 14 15 16 17 18 19 rings > 19 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 03EEC5E000000002 > 33.4561 > 40.724 > 10319926 262 13470422070724296221 10498660 4 12324247165317981028 10730089 88 17822006510921260725 11046707 91 18341332206175074008 11089746 13 13479134627281255030 12363563 72 18412552002327775800 12403259 118 10735577091016248798 12523318 42 14692565559647350175 12596602 18 15123505908764302158 12633257 1 17846787346632106303 12760667 363 18413107251926983979 12892183 10 13758085086207379837 12916754 54 18410012143463564313 12954195 1 18262786369164894925 13533116 47 18129943519840128481 13544592 145 18186797011349455897 13544653 18 18412546534966536625 13675066 3 11959742589727155369 13955234 65 18055631969641295568 14123256 34 18271536342015823462 1420 369 18131915957431747382 14341114 328 14548729646986794354 14576447 43 18408888404536908866 14848178 96 11603120400021355422 15163728 17 14635970285998875703 15183329 4 13912600512411507450 15188451 53 15841258346912919687 15352361 1 18411138017632076274 15475509 8 17895184507835673565 15537594 2 18129104596288238807 17834072 32 9006759991746715658 17870717 6 17603865615994892631 1813 80 17775297053460434908 18222031 100 18273214171448460830 19377110 9 17060335266881557408 193927 3 18272094876816223638 19784866 240 18343867714559428005 200 152 18343862225517487513 20028762 73 17917708028341087622 20281475 54 18410862083216178441 20374829 77 18334010566788136401 20403669 9 18412830174443234398 20645477 70 18336824294305638264 20693207 138 18186797002195382949 20871999 31 17458347411709948764 21033650 10 16443618009098032509 21315764 119 17240757320785819071 21637258 2 17846770845773813167 21713013 43 18040428902099053821 221490 88 18408324401899944112 2215653 11 18334284397456257647 22393880 68 17895182286219021563 22646028 28 18272370862555821424 23198884 109 15140680267605124235 23402655 69 12107786319784675096 23403322 49 18408040702050721555 23557571 272 17604417613386596725 23559900 14 18114175375904001253 27216 239 10519693501956629061 2838139 119 12901550169525269526 2871803 45 18186516626745779905 3004659 81 18187078455660028282 312423 11 18343033197882016656 314194 84 18272933838664194398 329604 57 18334017177296673622 34797466 226 17096089228832337485 351380 3 18273216395603626078 3737641 26 17058945338245149790 4259306 186 18409167718406513599 46194498 28 17314793112398831997 465052 167 18129386058928901015 5104073 3 18202002118441832128 5281201 14 17968376839857950237 543368 44 13045946832683265991 559249 180 18270115713300667561 59682541 35 18271793658850709138 59682541 52 14201668707654438594 76465 3 18411698764472827720 7970288 3 18343301427464709198 960060 61 17312822663155394230 9709674 26 18115026441048433585 > 373.16 12.91 2.18 1.18 5.35 0.37 -0.17 -9.89 -2.29 1.34 0.23 -0.79 -0.09 0.63 > 785.947 > 212.1 > 2 5 10 $$$$