Version2.1 2020-11-29T19:50:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cn1c(=O)c2ccccc2c(n1)C(=O)NCC[NH+]3Cc4ccccc4O[C@@H](C3)c5ccsc5 C12131771 RHF 6-31G(d) (6D,7F) Cn1c(=O)c2ccccc2c(n1)C(=O)NCC[NH+]3Cc4ccccc4O[C@@H](C3)c5ccsc5 C01[X(C25H25N4O3S1)] 168 C1 549 O=C(c1nn(C)c(=O)c2c1cccc2)NCC[NH+]1C[C@H](Oc2c(C1)cccc2)c1ccsc1 O=C(c1nn(C)c(=O)c2c1cccc2)NCC[NH+]1C[C@H](Oc2c(C1)cccc2)c1ccsc1 CN1N=C(C(=O)NCC[NH+]2C[C@H](Oc3ccccc3C2)c4cscc4)c5ccccc5C1=O InChIKey=ZLBKCRUOPJRPHQ-QFIPXVFZSA-O InChI=1S/C25H24N4O3S/c1-28-25(31)20-8-4-3-7-19(20)23(27-28)24(30)26-11-12-29-14-17-6-2-5-9-21(17)32-22(15-29)18-10-13-33-16-18/h2-10,13,16,22H,11-12,14-15H2,1H3,(H,26,30)/p+1/t22-/m0/s1 InChI=1/C25H24N4O3S/c1-28-25(31)20-8-4-3-7-19(20)23(27-28)24(30)26-11-12-29-14-17-6-2-5-9-21(17)32-22(15-29)18-10-13-33-16-18/h2-10,13,16,22H,11-12,14-15H2,1H3,(H,26,30)/p+1/t22-/m0/s1/fC25H25N4O3S/h26,29H/q+1 Cn1c(=O)c2ccccc2c(n1)C(=O)NCC[NH+]3Cc4ccccc4O[C@@H](C3)c5ccsc5 C01[X(C25H25N4O3S1)] 168 C01 549 O=C(c1nn(C)c(=O)c2c1cccc2)NCC[NH+]1C[C@H](Oc2c(C1)cccc2)c1ccsc1 C[N]1[N][C](C(=O)NCC[NH]2C[C@H](O[C]3[C]([CH][CH][CH][CH]3)C2)[C]2=[CH][S][CH]=[CH]2)[C]2[C]([CH][CH][CH][CH]2)C1=O CN1[N][C]([C]2[CH][CH][CH][CH][C]2C1=O)C(=O)NCC[NH]3C[C]4[CH][CH][CH][CH][C]4O[C@@H](C3)c5cscc5 InChIKey=UVOOSQDLTZHULP-QFIPXVFZSA-N InChI=1S/C25H25N4O3S/c1-28-25(31)20-8-4-3-7-19(20)23(27-28)24(30)26-11-12-29-14-17-6-2-5-9-21(17)32-22(15-29)18-10-13-33-16-18/h2-10,13,16,22,29H,11-12,14-15H2,1H3,(H,26,30)/t22-/m0/s1 InChI=1/C25H25N4O3S/c1-28-25(31)20-8-4-3-7-19(20)23(27-28)24(30)26-11-12-29-14-17-6-2-5-9-21(17)32-22(15-29)18-10-13-33-16-18/h2-10,13,16,22,29H,11-12,14-15H2,1H3,(H,26,30)/t22-/m0/s1/f/h26H 3344.6356185832 -1800.9571866 1-A 22726.1473 121 428 549 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127.7103 134.5093 138.4275 159.6503 179.8941 201.7497 225.8522 256.2339 257.4274 269.0933 281.0235 295.9746 328.0826 351.9553 359.1369 369.4199 381.0232 395.9361 413.6013 425.2705 471.7432 474.1036 496.0932 496.4756 504.3788 515.1633 519.6645 539.6061 557.1256 566.0482 576.9416 607.6894 638.4145 667.9383 674.6897 676.3435 691.0294 705.5089 724.3133 770.8100 774.4854 806.9570 814.4321 816.6110 833.4472 838.5660 843.0629 859.8749 879.7457 882.9022 894.0399 904.4096 918.3629 931.7679 936.9136 948.9950 958.6968 980.0938 998.9218 1016.0394 1031.8353 1034.4021 1048.2601 1055.6844 1078.7040 1091.3498 1094.8093 1112.5417 1119.4415 1125.6381 1137.5180 1139.2599 1141.9515 1150.3930 1172.5626 1188.5739 1200.8349 1212.0822 1215.8360 1219.4310 1226.3471 1233.5451 1253.3022 1259.9597 1261.5041 1289.1535 1313.7233 1315.5491 1321.0280 1330.3926 1348.4259 1362.7156 1364.9867 1370.0274 1396.6421 1420.3256 1422.2284 1444.0786 1465.3916 1466.0712 1474.9128 1480.5474 1486.3131 1506.9017 1513.6728 1534.9566 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5.0082 11.0207 11.6914 3.0848 10.8040 7.2798 3.3774 4.1949 7.0000 5.9909 2.8794 13.4113 7.1641 4.1395 2.3604 1.3424 3.2928 2.7252 31.2606 96.2710 2.8615 0.9235 0.3699 4.5105 6.5006 1.8240 1.5777 2.1741 1.1895 0.4212 2.4616 1.7212 1.8098 3.6744 3.0026 0.8344 1.3119 1.3961 1.6809 1.2839 2.2761 1.9134 2.6498 1.3040 0.4557 0.3898 0.6781 3.1189 0.9572 1.4996 2.4688 0.5287 0.6697 8.6179 3.4480 2.3213 0.0894 1.3829 1.2995 1.0875 1.7285 1.7064 0.7473 4.3844 5.5561 2.4151 0.8060 2.0714 1.3019 5.7129 1.7037 8.1173 7.7044 5.0472 3.6300 1.7218 2.2976 5.0753 5.8318 1.3570 3.9827 0.4939 6.9688 8.6440 0.7724 2.6618 1.8609 1.8800 3.6171 2.6997 1.0637 5.5909 0.9402 2.3699 3.6170 10.5041 0.6062 4.9256 3.8015 0.2345 16.5600 21.0785 0.2143 29.8024 0.3058 24.5786 15.2176 11.2515 1.7013 2.6487 8.6137 9.8459 3.5089 3.0747 2.3062 7.9154 6.1507 33.6581 2.6246 3.5931 17.8347 3.2552 2.4827 28.4336 11.6735 16.1843 2.8351 5.6068 6.4458 141.9184 7.1748 15.4111 7.0659 35.5017 10.6620 11.8101 5.1254 2.3171 6.9149 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 9320.3361 33462.1621 41582.6044 0.99998 -0.00620 -0.00032 0.00620 0.99998 0.00166 0.00031 -0.00166 1.00000 1 0.00929 0.00259 0.00208 0.19363 0.05393 0.04340 12.91 17.28 25.50 50.99 63.08 78.46 87.98 96.39 105.76 133.87 147.55 183.75 193.53 199.17 229.70 258.83 290.27 324.95 368.66 370.38 387.17 404.33 425.84 472.04 506.39 516.72 531.51 548.21 569.66 595.08 611.87 678.73 682.13 713.77 714.32 725.69 741.21 747.68 776.37 801.58 814.42 830.09 874.33 918.54 961.01 970.73 973.11 994.24 1015.07 1042.13 1109.02 1114.31 1161.03 1171.79 1174.92 1199.14 1206.51 1212.98 1237.17 1265.76 1270.30 1286.32 1301.24 1321.32 1340.61 1348.01 1365.39 1379.35 1410.14 1437.23 1461.85 1484.58 1488.27 1508.21 1518.89 1552.01 1570.21 1575.19 1600.70 1610.63 1619.54 1636.63 1639.14 1643.01 1655.16 1687.06 1710.09 1727.73 1743.92 1749.32 1754.49 1764.44 1774.80 1803.22 1812.80 1815.02 1854.80 1890.15 1892.78 1900.66 1914.14 1940.08 1960.64 1963.91 1971.16 2009.46 2043.53 2046.27 2077.71 2108.37 2109.35 2122.07 2130.18 2138.47 2168.10 2177.84 2208.46 2236.71 2251.35 2262.72 2288.55 2300.64 2303.67 2321.17 2329.08 2333.00 2336.95 2344.14 2357.60 2373.67 2375.14 2384.62 2386.55 2403.52 2439.65 2528.35 2539.14 2569.54 2589.54 2603.39 2627.26 2768.40 2817.56 4608.69 4664.60 4686.43 4720.86 4731.12 4746.22 4752.61 4796.59 4813.46 4835.92 4842.03 4848.66 4854.14 4858.15 4869.25 4872.65 4884.10 4892.62 4904.74 4921.76 4962.32 4980.83 4987.52 5300.97 5606.45 0.507711 0.534265 0.535209 0.445740 -1800.449475 -1800.422922 -1800.421978 -1800.511446 3.000771D-04 MUNgauss RevisionA2.0 retrievium 29-Nov-2020 DUDE Cn1c(=O)c2ccccc2c(n1)C(=O)NCC[NH+]3Cc4ccccc4O[C@@H](C3)c5ccsc5 C12131771 RHF 6-31G(d) (6D,10F) C1 461.164738 |X|Y|Z| 69.315597 22.399826 131.983537 58.956513 30 6 7 8 16 24 4 1 1 |36.858105| |13.062132|53.358707| |7.811322|18.801258|36.858105| |7.087024|11.600987|15.911551|73.516695| |5.071777|10.785108|12.950855|14.300633|36.858105| |3.889179|7.053738|7.738668|11.970013|13.670754|36.858105| |3.111363|5.406345|5.112905|8.060166|7.964346|13.859695|36.858105| |2.969562|5.206568|4.509893|6.780700|6.919012|7.955752|13.661911|36.858105| |3.390145|6.230453|5.063609|7.098110|7.916079|6.829060|7.889112|13.835034|36.858105| |4.515720|9.390819|7.655606|9.404106|13.647996|7.843339|6.821631|7.933806|13.600950|36.858105| |5.338690|11.424509|6.860383|8.530046|7.864797|5.113029|4.479321|5.036586|7.477441|13.007635|36.858105| |8.025406|19.583062|7.962838|9.785236|6.899327|4.585631|3.813044|3.966451|5.150817|7.929653|14.964053|53.358707| |4.073309|7.225384|4.459443|6.202542|4.963918|3.780576|3.593535|4.240906|6.111169|7.276688|12.679098|11.147952|36.858105| |3.273760|5.594728|3.730901|5.373989|4.360704|3.551886|3.584033|4.481022|6.513274|6.360473|7.966618|7.521566|15.797986|73.516695| |4.096746|6.605459|3.860225|5.591261|3.932947|3.098785|2.904657|3.270018|4.274638|5.017931|7.847154|9.921609|14.046505|15.238284|53.358707| |3.181349|4.851473|2.998562|4.526712|3.084811|2.564542|2.475383|2.800756|3.508523|3.795554|5.069182|6.423940|7.916659|12.667448|18.065113|36.858105| |2.751689|4.169961|2.670227|4.093152|2.790661|2.382616|2.343836|2.670254|3.276059|3.396522|4.226837|5.260288|6.085424|10.987497|10.580902|12.389970|36.858105| |2.285212|3.417977|2.254981|3.522543|2.378222|2.092725|2.099377|2.397424|2.850428|2.840263|3.326815|4.133231|4.477710|8.776509|6.947784|7.574667|12.623312|53.358707| |2.245578|3.315000|2.174938|3.415708|2.267503|1.996523|1.991020|2.251041|2.656969|2.676340|3.148121|3.987111|4.168092|7.951913|6.649531|7.606132|9.280642|25.697288|0.500000| |2.026919|2.971912|1.983082|3.150866|2.070737|1.853893|1.861734|2.092456|2.416050|2.403309|2.737416|3.482718|3.433128|6.522164|5.230106|5.004802|7.553870|17.102142|0.259745|36.858105| |1.785190|2.587470|1.744037|2.804106|1.814969|1.647465|1.661278|1.852366|2.097757|2.073077|2.316312|2.974015|2.817472|5.357153|4.215371|3.927089|4.988527|10.333966|0.209549|12.669327|36.858105| |1.688434|2.404428|1.616078|2.622937|1.657614|1.508610|1.508782|1.657854|1.859509|1.861962|2.080748|2.728632|2.467902|4.561295|3.743822|3.405141|4.066719|7.262549|0.157518|7.569429|13.707900|36.858105| |1.518186|2.151754|1.459518|2.387426|1.496652|1.375731|1.380586|1.509093|1.671336|1.664792|1.833874|2.410225|2.134231|3.953637|3.178493|2.809703|3.190179|5.462845|0.119692|5.026739|7.909069|13.761342|36.858105| |1.442964|2.060555|1.411217|2.309651|1.460595|1.352605|1.369474|1.504071|1.655460|1.627449|1.769776|2.301234|2.055116|3.872778|2.993282|2.619301|2.938390|5.099812|0.110623|4.452138|6.861495|7.953454|13.746639|36.858105| |1.500751|2.170444|1.492829|2.428650|1.563558|1.448885|1.479375|1.643522|1.815333|1.761248|1.906188|2.440505|2.241793|4.320670|3.214761|2.832366|3.229378|5.874855|0.124645|5.032865|7.897846|6.865496|7.915966|13.742403|36.858105| |1.664260|2.429799|1.660971|2.676948|1.748936|1.605715|1.639350|1.839709|2.062468|1.998591|2.186948|2.771765|2.636786|5.147724|3.801951|3.444479|4.147108|8.318655|0.169299|7.593227|13.709263|7.958620|6.890617|7.979791|13.800745|36.858105| |1.712835|2.541054|1.752989|2.808118|1.877573|1.729749|1.788829|2.040165|2.293499|2.174239|2.349047|2.912007|2.861303|5.798080|3.986196|3.557064|4.306715|8.623254|0.162426|6.764826|8.018725|5.237151|4.615060|5.244472|8.034648|13.974469|73.516695| |1.873933|2.816526|1.935675|3.068026|2.092839|1.910232|1.979623|2.290702|2.623970|2.470448|2.691752|3.278231|3.385622|7.119518|4.652168|4.261796|4.944175|10.166637|0.197034|6.152013|6.274312|4.417282|3.862638|4.196438|5.682922|8.070057|24.062394|36.858105| |1.859097|2.766481|1.888020|3.002653|2.017508|1.835905|1.885200|2.156263|2.465258|2.360407|2.598974|3.214492|3.250826|6.644383|4.580013|4.294123|4.651123|9.372321|0.212983|5.573567|6.159056|4.587453|4.110197|4.493067|5.942312|7.721385|16.578381|17.519576|0.500000| |2.171451|3.317941|2.247805|3.502484|2.444416|2.182477|2.244997|2.632206|3.127968|2.969416|3.336327|3.977545|4.477772|9.780839|6.176358|5.924280|7.710705|17.135047|0.256786|7.555767|5.955886|4.235374|3.485517|3.508474|4.309075|6.036198|14.075764|12.472359|0.245417|36.858105| |1.784647|2.708028|1.900151|3.020514|2.091902|1.943290|2.055831|2.410530|2.711144|2.467686|2.592131|3.109313|3.164074|6.827216|4.128319|3.531162|3.868583|6.737161|0.130664|4.246246|4.258413|3.311070|3.048441|3.376500|4.401139|5.306915|14.255545|12.636145|0.248346|7.706028|36.858105| |1.842279|2.819991|1.994126|3.161048|2.218971|2.068557|2.206196|2.612094|2.934252|2.631242|2.724541|3.232162|3.292348|7.214072|4.169980|3.464028|3.524917|5.670724|0.114006|3.446734|3.390371|2.781422|2.591048|2.815490|3.454000|3.938525|9.062103|7.344606|0.187646|5.958224|13.231986|36.858105| |1.706031|2.609783|1.880430|3.008792|2.109634|2.011570|2.183686|2.583848|2.801825|2.461356|2.465631|2.932384|2.856697|6.140211|3.561999|2.842420|2.893497|4.463220|0.088847|2.849943|2.816590|2.376048|2.254132|2.460858|2.962313|3.249403|7.255179|5.092827|0.130178|4.368377|8.232037|14.164092|36.858105| |1.551607|2.352973|1.702603|2.748819|1.898778|1.829616|1.990045|2.325991|2.473704|2.182049|2.174464|2.615991|2.482648|5.221463|3.138861|2.497222|2.653931|4.135512|0.080489|2.799643|2.807746|2.363560|2.266276|2.516313|3.075771|3.324963|7.606383|4.743990|0.115016|3.968268|7.473251|7.472722|11.069501|388.023441| |1.629021|2.461399|1.749954|2.808143|1.930604|1.824401|1.949629|2.273106|2.488286|2.241658|2.301737|2.778178|2.714659|5.737223|3.516375|2.904830|3.224842|5.365836|0.102399|3.674419|3.736595|2.986553|2.815611|3.171541|4.120074|4.703185|12.315421|7.539027|0.161743|5.498360|14.134048|8.225682|7.733091|78.826982|36.858105| |17.634695|12.399270|6.985380|12.610270|4.652027|3.736459|2.991207|2.810076|3.129946|4.044215|4.532574|8.399512|3.562107|5.251342|4.828348|2.856832|2.463057|2.851603|0.057740|1.862691|1.664493|1.581187|1.435045|1.370380|1.422558|1.564254|2.859415|1.761305|0.048853|2.009430|1.690650|1.760638|1.640586|10.567415|1.546062|0.500000| |17.673784|12.586441|5.747735|9.065703|4.267929|3.330413|2.778870|2.734419|3.171701|4.111296|5.197656|10.838868|4.263040|5.979183|6.264822|3.551200|3.005351|3.348159|0.067660|2.173792|1.906646|1.812683|1.619970|1.527071|1.580672|1.757966|3.188064|1.962541|0.054428|2.286436|1.841544|1.888492|1.729538|11.173172|1.668411|0.299000|0.500000| |17.633781|12.397899|6.977375|12.596566|4.647740|3.734141|2.989705|2.808549|3.127761|4.040411|4.530074|8.400441|3.559477|5.227046|4.861717|2.851230|2.556288|2.907786|0.057882|1.929503|1.700040|1.614351|1.453915|1.380010|1.431168|1.583154|2.891101|1.758356|0.048179|2.028539|1.676607|1.715631|1.599262|10.473307|1.545736|0.301447|0.298922|0.500000| |3.815838|6.487754|7.230391|13.471216|8.949456|17.760912|8.894402|5.636901|4.932903|5.622398|4.186089|5.459478|3.202319|5.317657|3.720115|2.294473|2.137897|2.574183|0.050418|1.695965|1.519005|1.403611|1.286409|1.262859|1.343967|1.478575|2.808563|1.728669|0.046396|1.952249|1.752475|1.856076|1.811417|11.811386|1.654473|0.104613|0.089156|0.104561|0.500000| |2.712965|4.504746|4.151550|6.956776|5.653040|8.950223|17.733029|8.883446|5.631524|4.926552|3.576150|4.290267|2.996952|5.370362|3.400259|2.179077|2.085250|2.583080|0.050152|1.704917|1.537060|1.402514|1.292422|1.286724|1.387303|1.525153|2.953475|1.821735|0.048238|2.031859|1.905469|2.041586|2.050551|13.445778|1.829921|0.073464|0.067724|0.073434|0.213507|0.500000| |2.549483|4.300821|3.595102|5.597621|4.976299|5.661296|8.902587|17.723162|8.984565|5.648073|4.086945|4.498626|3.704932|7.251386|3.993079|2.602507|2.529430|3.170306|0.060629|2.049916|1.831319|1.632372|1.494457|1.502241|1.651732|1.842235|3.669107|2.310719|0.059965|2.610204|2.488310|2.712493|2.752886|17.770311|2.385102|0.067493|0.066233|0.067461|0.123985|0.214867|0.500000| |3.060912|5.407029|4.114091|5.930917|5.637461|4.938105|5.634998|8.965036|17.832479|8.874223|6.798937|6.378062|6.772566|15.165796|6.247257|3.898292|3.698933|4.429301|0.083182|2.699609|2.325591|2.026450|1.811966|1.804657|2.004502|2.304970|4.645304|3.051160|0.078420|3.714114|3.192292|3.482554|3.283580|20.292972|2.891189|0.078428|0.082009|0.078364|0.107334|0.124198|0.217030|0.500000| |4.895872|7.575849|4.132047|6.001745|3.953498|3.077611|2.802943|3.049819|3.872027|4.754023|7.486269|11.679360|9.382038|10.925937|26.079773|8.980173|5.998727|5.743557|0.115092|3.377966|2.790736|2.551824|2.188182|2.044973|2.159609|2.506314|4.584423|2.935141|0.081258|3.710411|2.628354|2.659310|2.314897|14.650414|2.279356|0.114562|0.162672|0.115442|0.076707|0.067235|0.075350|0.110208|0.500000| |3.130373|4.558664|2.787360|4.288082|2.778505|2.332176|2.227206|2.460862|2.992881|3.278120|4.282839|5.825979|5.826297|9.139421|12.631926|17.598033|8.822953|8.734061|0.197851|4.695425|3.848059|3.502956|2.891654|2.636971|2.772194|3.296689|5.795777|3.771628|0.109377|4.811160|3.113414|3.045539|2.535309|16.004458|2.601638|0.078715|0.099659|0.077930|0.058939|0.055040|0.063651|0.089772|0.231034|0.500000| |2.925456|4.501495|2.860901|4.336855|3.006687|2.535614|2.487361|2.852703|3.566676|3.728433|4.763618|5.816200|7.347212|13.480128|12.539633|17.582231|8.790853|10.043085|0.221548|4.700841|3.904334|3.331441|2.811908|2.688526|2.961196|3.585688|6.745332|4.843515|0.139883|6.622301|4.041980|4.109831|3.256547|19.581978|3.197287|0.074753|0.088749|0.072499|0.062763|0.060993|0.074483|0.112679|0.187059|0.302599|0.500000| |2.796524|4.358618|2.840129|4.310139|3.047722|2.599357|2.585564|3.002916|3.749409|3.804793|4.653486|5.515865|6.804262|13.074803|10.146890|8.790466|17.691216|12.372978|0.183748|6.402995|4.360360|3.537384|2.856020|2.691804|3.000048|3.819741|7.420685|4.764803|0.118190|7.662119|3.944205|3.597727|3.005315|19.816362|3.359562|0.069019|0.083035|0.072784|0.063990|0.063424|0.079018|0.120282|0.157003|0.175066|0.197455|0.500000| |2.724281|4.010945|2.549301|3.958725|2.600645|2.231269|2.170657|2.420296|2.905252|3.066378|3.785577|4.944736|4.993508|8.493951|8.886674|8.790770|17.652786|12.286506|0.206501|7.539833|4.921981|4.244205|3.259217|2.903471|3.089021|3.887946|6.824094|4.112738|0.109206|5.681555|3.272848|2.970543|2.506649|16.725429|2.827365|0.067295|0.083716|0.071308|0.056335|0.054035|0.063548|0.088419|0.156752|0.224148|0.175023|0.301624|0.500000| |1.977998|2.925742|1.977528|3.143738|2.088287|1.884573|1.910184|2.159835|2.479240|2.427533|2.711533|3.404586|3.354839|6.491088|4.904125|4.401152|6.617015|12.381454|0.183352|17.625818|8.812248|5.848093|4.295957|3.992268|4.627615|6.775489|12.204830|5.891073|0.137341|7.328790|4.321212|3.433442|2.899425|20.906401|3.907118|0.050368|0.058251|0.052729|0.047772|0.048702|0.059224|0.077386|0.087835|0.111028|0.115264|0.179960|0.180539|0.500000| |2.096202|3.029870|1.998825|3.186187|2.053554|1.828038|1.813082|2.011518|2.319942|2.356569|2.719705|3.542202|3.356631|6.111394|5.303185|4.999062|7.460620|12.351247|0.213850|17.664623|8.951823|7.356827|4.798647|4.002908|4.198454|5.616248|8.739602|4.619618|0.121999|5.603623|3.447587|2.933495|2.480351|17.240436|3.046268|0.053191|0.063115|0.055691|0.046725|0.046096|0.054215|0.070749|0.097746|0.137269|0.123020|0.168520|0.251614|0.301601|0.500000| |1.749754|2.467914|1.645427|2.674671|1.670363|1.512669|1.500082|1.636803|1.839459|1.866047|2.104955|2.798223|2.480624|4.487511|3.838938|3.469128|4.139526|6.847215|0.147380|7.003572|8.903241|17.705455|8.935092|5.655060|4.947254|5.650549|7.508124|3.761053|0.107649|3.832580|2.909006|2.511098|2.165036|15.194649|2.632654|0.045329|0.052578|0.046611|0.039215|0.038670|0.044449|0.055197|0.073768|0.101843|0.091286|0.098559|0.126801|0.150868|0.225982|0.500000| |1.453139|2.040200|1.383554|2.276245|1.408225|1.297119|1.296072|1.405400|1.548343|1.552080|1.707387|2.266839|1.959839|3.585837|2.927122|2.543804|2.826020|4.610193|0.100952|4.097524|5.635869|8.924995|17.741295|8.906100|5.636404|4.963017|6.510894|3.186734|0.094140|2.948877|2.608260|2.275242|2.008594|14.320848|2.432964|0.038268|0.043130|0.038773|0.033867|0.033794|0.038573|0.046222|0.056755|0.073788|0.070149|0.070566|0.081427|0.099395|0.114043|0.215738|0.500000| |1.340839|1.906708|1.312296|2.159575|1.355686|1.262954|1.279626|1.397958|1.525784|1.498984|1.617650|2.111238|1.853482|3.479367|2.680177|2.303079|2.527691|4.230843|0.091535|3.558820|4.947269|5.653836|8.918856|17.733206|8.936989|5.670335|7.528045|3.528643|0.105056|2.972763|2.992377|2.559211|2.284519|16.702243|2.868922|0.035553|0.039290|0.035686|0.032888|0.033555|0.038875|0.045934|0.051277|0.064614|0.065847|0.065029|0.069448|0.090890|0.091019|0.124326|0.214720|0.500000| |1.427934|2.071411|1.436855|2.343504|1.513351|1.413304|1.452944|1.616365|1.769989|1.700618|1.817410|2.315390|2.117519|4.115331|2.983039|2.578704|2.881144|5.077856|0.106575|4.114276|5.642270|4.950302|5.623679|8.853464|17.742826|8.975646|13.079948|5.412154|0.155250|3.951847|4.601084|3.601317|3.157630|23.955172|4.507652|0.037768|0.041509|0.037837|0.036432|0.038021|0.045470|0.054343|0.055705|0.069465|0.075828|0.075903|0.075663|0.109429|0.096635|0.107464|0.123681|0.213645|0.500000| |2.356821|3.668819|2.480553|3.815333|2.734325|2.412532|2.485707|2.963706|3.621955|3.411871|3.873374|4.481387|5.470055|13.004079|7.182914|6.794866|7.469790|12.337046|0.217144|5.566405|4.588016|3.543314|3.005478|3.021365|3.590476|4.626959|10.135146|8.791778|0.207775|17.668279|7.123608|6.615473|4.703300|28.041591|5.006943|0.060671|0.068705|0.060367|0.059275|0.061773|0.081036|0.122841|0.115563|0.143971|0.236712|0.212173|0.147187|0.148505|0.127260|0.091515|0.072462|0.072959|0.093849|0.500000| |2.137883|3.288004|2.255337|3.516960|2.479894|2.232505|2.319758|2.741953|3.238101|3.015783|3.310741|3.906768|4.329203|9.527709|5.751294|5.065689|6.960536|12.399707|0.181573|7.100338|5.350318|3.879870|3.215381|3.236764|3.946305|5.415004|12.993131|8.884721|0.173991|17.640303|6.926029|5.282923|4.186853|28.826915|5.638133|0.054643|0.061932|0.056098|0.055310|0.058415|0.076201|0.107652|0.097042|0.115092|0.146352|0.224407|0.150689|0.228877|0.149425|0.098929|0.076340|0.076973|0.101993|0.302591|0.500000| |1.969582|3.021514|2.117364|3.337417|2.346429|2.160275|2.279156|2.691179|3.075910|2.801684|2.949760|3.496752|3.617834|7.923984|4.593585|3.851827|3.708370|5.834825|0.121563|3.400463|3.310491|2.759023|2.554804|2.724437|3.252575|3.701284|8.016606|6.572405|0.187417|5.849284|8.539862|17.726783|8.933205|37.769457|5.718045|0.052459|0.056324|0.050416|0.053728|0.058097|0.076315|0.101114|0.080933|0.093826|0.133094|0.102812|0.085749|0.091412|0.081722|0.070009|0.062778|0.068811|0.092006|0.197710|0.136258|0.500000| |1.682921|2.576581|1.874997|3.012824|2.112079|2.036204|2.226858|2.625826|2.795144|2.440657|2.404637|2.865170|2.719805|5.762160|3.359028|2.621677|2.603319|3.892846|0.078267|2.494051|2.456916|2.119324|2.022937|2.188411|2.567583|2.768621|5.925195|4.035661|0.107059|3.635674|5.684426|8.779053|17.791621|55.383401|5.430563|0.045302|0.047089|0.043747|0.051023|0.058483|0.078398|0.089744|0.061300|0.065493|0.083188|0.074996|0.063255|0.070066|0.061499|0.054275|0.050713|0.057076|0.075614|0.110824|0.097014|0.204626|0.500000| 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