2764 -OEChem-05072400283D 42 45 0 0 0 0 0 0 0999 V2000 -2.2164 2.7826 0.3610 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8091 2.5240 0.2325 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 1.4595 0.6808 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5985 -0.2899 -0.7262 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5285 -1.3112 -0.2906 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1274 0.1877 0.0112 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8815 -0.5181 -0.2456 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1463 -2.7265 -0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -3.7953 0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2424 -3.4159 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5507 -0.2889 -0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8698 -0.9817 -0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 1.0479 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8289 -0.5519 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7586 0.4786 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9592 0.8291 -1.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5988 -1.1171 0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3692 0.2493 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4163 1.3744 0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4277 0.8278 -0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0808 -1.0498 0.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0335 2.0797 0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3285 1.7904 0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8232 0.4153 -0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0251 -2.9710 -1.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3236 -3.5196 1.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 -4.7488 -0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -4.1162 0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0718 -2.9133 1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5217 -1.8387 -0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1885 -1.5547 -0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 0.2839 -1.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 1.8648 -1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0401 -1.4308 1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4515 -1.8755 -0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5769 1.5043 0.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0399 1.2092 -1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4362 -2.0558 1.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2201 -0.4304 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3487 3.1098 0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8602 -0.4802 0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1325 1.6030 0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 19 2 0 0 0 0 3 24 1 0 0 0 0 3 42 1 0 0 0 0 4 24 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 18 2 0 0 0 0 12 30 1 0 0 0 0 13 19 1 0 0 0 0 13 22 2 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 23 2 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 21 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 M END > 2764 > 0.8 > 1 2 3 5 4 > 34 1 -0.19 10 -0.2 11 0.1 12 -0.05 13 0.09 14 -0.15 15 0.1 16 0.37 17 0.37 18 0.03 19 0.47 2 -0.57 20 0.27 21 0.27 22 -0.15 23 0.19 24 0.71 25 0.1 26 0.1 27 0.1 28 0.1 29 0.1 3 -0.65 30 0.15 31 0.15 4 -0.57 40 0.15 41 0.36 42 0.5 5 -0.37 6 -0.84 7 -0.9 8 0.07 9 -0.2 > 4.8 > 11 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 1 6 cation 1 7 cation 1 7 donor 3 3 4 24 anion 6 11 13 14 15 22 23 rings 6 5 11 12 13 18 19 rings 6 6 7 16 17 20 21 rings > 24 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00000ACC00000001 > 76.708 > 55.91 > 10090160 65 18408317808966662063 10411042 1 17762617291932467350 10693767 8 18059007272870331878 10906281 52 18189074065164900161 10967382 1 18411420609273864578 1100329 8 18267583696603315042 11421498 54 16916798344196074203 11488393 25 17487354650460508454 11578080 2 17243006852713938391 11719270 70 18409157801401256914 11963148 33 18261949751926806883 12011746 2 18410017637148358934 12236239 1 17346883364325137981 12592029 89 18410009918934139026 12596602 18 16988562455092785899 12788726 201 17560237986837333801 12838862 33 18340186570840830093 12839892 36 18337093580629542906 13140716 1 18196653114546980219 13402501 40 18335425711732083395 138480 1 17906169547302855618 13862211 1 18412822503705269246 14178342 30 18196646298882566992 14223421 5 18265332807164428023 14787075 74 18131068264110663440 14790565 3 18339085989719231313 14844126 61 16171157627634025330 15196674 1 18340488854971052132 16728300 4 17462534279844618578 18681886 176 18334856173214518160 19591789 44 18194965368614955251 200 152 18131911555348998025 20028762 73 18201437050980220086 20567600 347 18186520982022518570 20645477 70 18272086050885569879 21033650 10 15721085951664638365 21197605 99 18052546753215434859 21267235 1 18341341045133425125 21421861 104 18189898604501888763 21521721 280 18270686479530273552 221490 88 18265901246065370327 22393880 68 18195815067964952110 22956985 138 17753598054301010994 23366157 5 17826240592703246458 23402539 116 18341607161259456823 23557571 272 17385438792041722197 23558518 356 18118980096015516153 23559900 14 17978217271431876563 23569914 152 16691604928465351453 266924 87 18265048046775463605 283562 15 18342462491608049264 2871803 45 18412546474683617598 3178227 256 18337964470694173336 335352 9 18411701015600037670 33824 294 18410291389246694770 3383291 50 18410571748550709178 34934 24 18341889680488571039 350125 39 18410577314189605124 43471831 8 18337390440226443746 474229 33 18410013260212940602 5104073 3 18270117899085665616 5486654 2 18410861000815510310 59755656 215 18409169891676049590 6138700 20 18410295766556906254 6669772 16 18130793352382656230 9709674 26 18265617585372162759 9999458 23 18410009970505200228 > 454.08 10.98 3.4 0.78 5.32 2.72 -0.03 -1.96 -0.73 -1.74 0.57 0.26 0.05 0.72 > 988.02 > 248 > 2 5 10 $$$$