Version2.0 2020-01-17T12:15:46Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 11-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCSc1nc2n(n1)[C@H](C(=C(N2)C)C(=O)C)c3ccc(c(c3)OCC)OCc4ccccc4Cl C41001693 RHF 6-31G(d) (6D,7F) CCCCSc1nc2n(n1)[C@H](C(=C(N2)C)C(=O)C)c3ccc(c(c3)OCC)OCc4ccccc4Cl C01[X(C27H31Cl1N4O3S1)] 195 C1 610 CCCCSc1nn2c(n1)NC(=C([C@@H]2c1ccc(c(c1)OCC)OCc1ccccc1Cl)C(=O)C)C CCCCSc1nn2c(n1)NC(=C([C@@H]2c1ccc(c(c1)OCC)OCc1ccccc1Cl)C(=O)C)C CCCCSc1nn2[C@@H](c3ccc(OCc4ccccc4Cl)c(OCC)c3)C(=C(C)Nc2n1)C(C)=O InChIKey=UGPVGIFVAFSQJT-VWLOTQADSA-N InChI=1S/C27H31ClN4O3S/c1-5-7-14-36-27-30-26-29-17(3)24(18(4)33)25(32(26)31-27)19-12-13-22(23(15-19)34-6-2)35-16-20-10-8-9-11-21(20)28/h8-13,15,25H,5-7,14,16H2,1-4H3,(H,29,30,31)/t25-/m0/s1 InChI=1/C27H31ClN4O3S/c1-5-7-14-36-27-30-26-29-17(3)24(18(4)33)25(32(26)31-27)19-12-13-22(23(15-19)34-6-2)35-16-20-10-8-9-11-21(20)28/h8-13,15,25H,5-7,14,16H2,1-4H3,(H,29,30,31)/t25-/m0/s1/f/h29H CCCCSc1nc2n(n1)[C@H](C(=C(N2)C)C(=O)C)c3ccc(c(c3)OCC)OCc4ccccc4Cl C01[X(C27H31Cl1N4O3S1)] 195 C01 610 CCCCSc1nn2c(n1)NC(=C([C@@H]2c1ccc(c(c1)OCC)OCc1ccccc1Cl)C(=O)C)C CCCCS[C@@H]1NN2[C@@H](N1)NC(=C([C@@H]2c1ccc(c(c1)OCC)OCc1ccccc1Cl)C(=O)C)C CCCCS[C@H]1N[C@H]2NC(=C([C@@H](N2N1)c3ccc(OCc4ccccc4Cl)c(OCC)c3)C(C)=O)C InChIKey=CTLAOXKUKOKDAH-VJGNERBWSA-N InChI=1S/C27H35ClN4O3S/c1-5-7-14-36-27-30-26-29-17(3)24(18(4)33)25(32(26)31-27)19-12-13-22(23(15-19)34-6-2)35-16-20-10-8-9-11-21(20)28/h8-13,15,25-27,29-31H,5-7,14,16H2,1-4H3/t25-,26+,27-/m0/s1 InChI=1/C27H35ClN4O3S/c1-5-7-14-36-27-30-26-29-17(3)24(18(4)33)25(32(26)31-27)19-12-13-22(23(15-19)34-6-2)35-16-20-10-8-9-11-21(20)28/h8-13,15,25-27,29-31H,5-7,14,16H2,1-4H3/t25-,26+,27-/m0/s1 4050.0228016954 -2339.8481411 1-A 29907.1898 139 471 610 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3215.5040 3216.4188 3231.8437 3240.0034 3247.7744 3251.9827 3262.4567 3263.8059 3264.0763 3265.4174 3282.1383 3283.0371 3294.8035 3309.4423 3319.9198 3329.9281 3340.4000 3367.1234 3384.5708 3389.0854 3402.2250 3409.1622 3414.7554 3424.6266 3897.0190 5.3487 5.3859 6.2619 5.3077 3.6396 6.4290 4.7217 2.5069 4.6222 3.8332 4.2847 4.0738 3.8654 2.5310 4.2363 1.7695 3.4385 4.8936 2.3925 5.0303 6.3305 3.9803 1.5017 3.0320 1.4628 1.7848 6.0808 4.7810 5.4412 1.1223 4.6081 3.1441 1.3452 5.3665 4.6170 4.7401 5.4962 6.1862 4.3217 6.0142 5.7907 3.9814 6.9816 4.7571 4.0670 1.5812 3.1232 5.4387 3.1293 3.1776 6.4618 3.6199 6.1660 3.7074 4.4587 4.6867 4.8930 5.8050 4.6542 4.6752 4.0296 6.4901 9.0850 3.4513 1.0950 4.6138 4.7385 6.0874 10.8528 1.2237 1.1514 5.5660 4.5466 3.1883 1.1245 4.9068 2.0703 2.6008 1.8472 2.4443 1.2986 1.6932 1.1993 2.7762 1.3692 3.1091 1.3515 3.5402 8.8760 1.7343 1.3339 4.9024 2.3327 1.6919 2.6723 1.6562 3.1887 1.6889 2.2544 4.5346 1.1784 3.2441 3.1488 2.0545 2.7216 1.9276 2.3135 1.7820 1.5191 3.5421 1.8160 1.7370 3.0825 1.4771 3.6264 1.2646 4.2842 3.8557 3.6880 1.0628 1.5687 1.1915 1.1075 1.6352 4.8195 1.0608 2.2876 1.4647 2.4754 1.8524 1.2337 1.3823 1.4636 1.4446 1.4047 1.3603 1.7249 1.4191 2.8199 2.0443 1.0565 1.0562 1.0441 1.0469 1.0911 1.1327 1.0653 1.0416 1.0805 1.0593 2.3514 4.3533 1.0922 1.1338 1.1392 2.7798 7.2784 5.5481 4.9460 6.1547 5.8428 5.6258 6.9965 10.6984 1.0556 1.0472 1.0543 1.0556 1.0562 1.0422 1.1038 1.0391 1.0441 1.1060 1.1078 1.1085 1.0847 1.0904 1.0973 1.0763 1.1025 1.0975 1.1054 1.0973 1.1100 1.1032 1.1012 1.0883 1.0942 1.0895 1.0964 1.0940 1.0914 1.0938 1.0795 0.0001 0.0003 0.0010 0.0014 0.0020 0.0046 0.0044 0.0026 0.0064 0.0075 0.0112 0.0142 0.0227 0.0164 0.0281 0.0132 0.0303 0.0519 0.0264 0.0603 0.0993 0.0681 0.0280 0.0606 0.0304 0.0390 0.1643 0.1740 0.2053 0.0459 0.2027 0.1400 0.0623 0.3155 0.2803 0.3262 0.4090 0.4759 0.3667 0.5445 0.5666 0.4243 0.8037 0.5798 0.5301 0.2080 0.4464 0.7866 0.4643 0.5011 1.1767 0.6890 1.2942 0.8331 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654.40 676.73 679.90 708.67 712.86 722.05 744.39 799.86 817.74 858.76 888.54 899.15 912.64 939.95 964.63 992.30 1033.64 1051.85 1099.94 1120.02 1130.14 1140.91 1143.72 1174.97 1196.43 1211.53 1232.65 1234.94 1253.65 1262.80 1276.27 1301.30 1324.67 1339.81 1374.07 1404.73 1417.03 1428.36 1441.99 1454.77 1499.09 1520.85 1529.86 1559.96 1570.77 1593.25 1606.32 1622.29 1632.19 1632.53 1651.99 1659.02 1670.79 1676.51 1681.99 1690.02 1714.01 1718.83 1742.40 1748.17 1752.35 1768.73 1792.71 1807.92 1835.18 1870.23 1888.78 1901.42 1913.62 1919.96 1939.96 1969.66 1994.81 1999.97 2013.56 2023.62 2031.21 2040.99 2056.48 2064.16 2072.39 2086.91 2097.34 2101.27 2130.73 2135.19 2151.91 2223.89 2229.08 2233.45 2250.37 2252.76 2255.14 2256.16 2282.12 2293.94 2318.54 2327.67 2332.99 2343.91 2343.96 2346.91 2353.39 2354.57 2365.39 2366.22 2367.55 2379.32 2379.93 2383.28 2393.71 2417.19 2454.95 2487.34 2552.69 2571.24 2579.35 2595.75 2607.69 2629.96 2826.78 4593.34 4602.94 4609.58 4610.47 4619.11 4626.08 4626.39 4627.71 4649.90 4661.64 4672.82 4678.88 4693.95 4695.89 4696.28 4698.21 4722.26 4723.56 4740.49 4761.55 4776.62 4791.02 4806.09 4844.54 4869.64 4876.14 4895.04 4905.02 4913.07 4927.27 5606.94 0.585140 0.619437 0.620381 0.511462 -2339.263001 -2339.228705 -2339.227760 -2339.336679 3.653161D-04 MUNgauss RevisionA2.0 retrievium 17-Jan-2020 DUDE CCCCSc1nc2n(n1)[C@H](C(=C(N2)C)C(=O)C)c3ccc(c(c3)OCC)OCc4ccccc4Cl C41001693 RHF 6-31G(d) (6D,10F) C1 526.180541 |X|Y|Z| 141.953499 83.543299 52.696276 85.496017 23 6 7 8 18 4 1 |36.858105| |12.465846|36.858105| |7.482996|12.445211|36.858105| |4.881827|7.518693|12.466480|36.858105| |3.608340|4.599996|6.958766|10.456668|388.023441| |2.868029|3.594587|4.599818|6.885306|77.015782|36.858105| |2.813644|3.595780|4.266099|6.477228|49.176457|14.025195|53.358707| |2.359622|2.887271|3.313482|4.502095|35.926249|9.255768|19.897193|36.858105| |2.200788|2.624705|3.078149|4.006712|35.907282|9.215755|11.941776|14.497888|53.358707| |2.432261|2.912272|3.595616|4.748595|50.855968|14.720887|11.552831|8.759005|19.051454|53.358707| |1.887079|2.188757|2.502011|3.074302|26.502226|5.479710|7.263489|7.713004|17.856381|10.412956|36.858105| |1.826613|2.094804|2.408050|2.900564|25.587885|4.991330|6.245806|5.967431|12.771091|9.700929|17.608356|0.500000| |1.762262|2.038133|2.259855|2.746535|22.027765|4.318080|6.400921|6.903126|10.775278|6.985789|12.464810|0.246036|36.858105| |1.848487|2.164970|2.360232|2.910308|22.155134|4.357091|7.177663|8.011248|9.548669|6.390515|7.577691|0.161744|14.119595|36.858105| |2.121757|2.552528|2.798549|3.607536|26.701976|5.596973|10.815025|13.985946|11.206861|7.486011|6.675253|0.143426|8.037766|13.786116|53.358707| |1.697397|1.963964|2.083176|2.497266|18.247514|3.328409|5.422042|5.170157|6.161503|4.687340|4.822145|0.114470|7.463079|12.623638|10.741423|36.858105| |1.552789|1.762005|1.929824|2.270620|18.017603|3.277303|4.694315|4.493232|6.873251|5.205011|7.372455|0.190453|12.805851|7.734446|6.936813|6.350363|36.858105| |1.460440|1.648451|1.777008|2.067950|15.946286|2.819138|4.123144|3.812210|5.446722|4.293080|5.170832|0.133329|8.080365|6.733967|6.162803|6.987869|15.873519|73.516695| |1.476619|1.655501|1.827968|2.113929|17.191840|3.023081|4.104224|3.725048|6.023942|4.936544|6.453252|0.201197|7.383565|5.006927|5.256120|4.244852|12.562536|14.408544|36.858105| |1.798908|2.060416|2.345891|2.812154|24.126325|4.597251|5.919418|5.564885|10.547523|8.308715|12.457761|0.248812|7.406606|5.412345|6.799526|3.930182|5.812171|7.921463|5.542037|36.858105| |1.700616|1.938533|2.157547|2.554187|20.773829|3.792497|5.189181|4.767082|7.636141|6.157777|7.471789|0.158712|6.438220|5.213759|6.425431|4.036393|5.461753|8.094030|4.849045|13.881249|36.858105| |1.608979|1.808418|2.000171|2.308516|18.603523|3.190900|4.276366|3.658036|5.648497|5.013926|4.973665|0.117916|4.385156|3.797104|4.872828|3.178124|4.044817|6.371197|3.850831|7.922135|13.627967|36.858105| |1.601833|1.782796|1.992992|2.264645|18.699876|3.092136|3.966279|3.267522|5.174469|4.922851|4.408118|0.111378|3.676576|3.174418|4.174876|2.673094|3.433231|5.368914|3.482722|6.819597|7.911544|13.866921|36.858105| |1.686165|1.879579|2.143997|2.444924|21.124086|3.498501|4.274286|3.499022|5.875128|5.870547|5.017423|0.133058|3.832901|3.215836|4.272532|2.638119|3.513296|5.309712|3.717088|7.873252|6.855711|7.923142|13.502640|36.858105| |1.788908|2.022355|2.334806|2.733761|24.365873|4.318127|5.163484|4.410656|8.166265|7.934316|7.569400|0.201306|4.975385|3.940849|5.192691|3.067376|4.322712|6.189122|4.585199|13.581863|7.971701|6.905276|7.925211|13.866876|36.858105| |1.637835|1.798448|2.055211|2.284101|19.794898|3.088204|3.714049|2.925930|4.777328|5.028648|3.865931|0.107404|3.072381|2.650890|3.567305|2.235696|2.880211|4.453193|3.107459|5.175775|4.622239|5.298993|8.163420|14.161721|7.900446|73.516695| |1.694795|1.851047|2.146639|2.361391|21.121557|3.185332|3.704631|2.856494|4.714175|5.238013|3.689314|0.107401|2.895498|2.507602|3.411045|2.113221|2.702920|4.159935|2.964860|4.495596|3.792518|3.983340|5.232017|7.997693|6.716339|24.072045|36.858105| |1.593311|1.708765|1.960009|2.095961|18.209743|2.626554|3.110412|2.350441|3.722169|4.107502|2.852602|0.082425|2.354853|2.092669|2.857699|1.811205|2.236752|3.530525|2.435859|3.333962|2.981353|3.202838|4.082705|5.239074|4.409639|14.371842|12.575116|36.858105| |1.503220|1.650371|1.827333|2.030787|16.474194|2.610236|3.357392|2.683834|4.111545|4.017841|3.363783|0.087463|2.926214|2.607681|3.462633|2.273945|2.800243|4.516986|2.864486|4.604989|5.186076|7.889349|14.150065|8.172368|5.301649|13.167437|4.793816|4.145481|73.516695| |1.417159|1.549530|1.687898|1.863744|14.677178|2.310264|3.050154|2.429481|3.597132|3.458189|2.908993|0.074938|2.657291|2.431995|3.220691|2.182246|2.577768|4.284491|2.577252|3.782799|4.500524|6.716982|8.021578|5.245452|3.989064|8.539650|3.551403|3.232698|24.249149|36.858105| |1.329140|1.434706|1.554187|1.685050|13.175303|2.014131|2.643586|2.063951|3.028640|2.973715|2.399319|0.063149|2.205215|2.041767|2.726055|1.860032|2.157016|3.619972|2.183964|2.970635|3.334961|4.406723|5.228727|4.073746|3.197546|7.341032|3.217376|3.134323|14.322735|12.596990|36.858105| |1.325739|1.421244|1.549325|1.663745|13.160294|1.975902|2.549575|1.968885|2.917436|2.927555|2.291732|0.061413|2.071192|1.907236|2.561515|1.727500|2.022639|3.364426|2.084682|2.802774|2.999416|3.784555|4.728277|4.052947|3.140321|7.990608|3.548445|3.659157|12.580182|7.517687|13.710427|36.858105| |1.241891|1.318181|1.426700|1.512606|11.839218|1.748262|2.261652|1.728987|2.534956|2.558372|1.968659|0.053184|1.800714|1.675183|2.256895|1.535768|1.767535|2.967256|1.822812|2.332573|2.462776|2.971699|3.521415|3.169336|2.579996|6.270593|2.984492|3.205344|8.308566|5.002082|7.892841|13.756815|36.858105| |1.173285|1.242031|1.330607|1.406868|10.841657|1.601408|2.097957|1.602757|2.318748|2.318859|1.795444|0.048268|1.672228|1.572778|2.116585|1.461033|1.649285|2.803399|1.683818|2.097309|2.245580|2.681404|3.028674|2.688998|2.256721|5.111849|2.477611|2.603872|6.845626|4.420761|6.810788|7.933343|13.768458|36.858105| |1.174591|1.249733|1.332252|1.417975|10.836083|1.619214|2.146299|1.650248|2.369594|2.338003|1.842659|0.049017|1.737558|1.643116|2.203226|1.536349|1.716992|2.941654|1.732131|2.160890|2.371756|2.871472|3.141975|2.689892|2.273506|4.920694|2.353066|2.390669|7.075310|5.004685|7.857480|6.880714|7.960042|13.767457|36.858105| |1.245253|1.337014|1.431148|1.540936|11.829237|1.796084|2.388599|1.855593|2.674445|2.611548|2.100589|0.055270|1.977290|1.860595|2.484316|1.728272|1.948380|3.327484|1.952886|2.520447|2.840823|3.586759|3.917671|3.175185|2.632590|5.644016|2.606363|2.567542|9.230647|7.552639|13.713859|8.012607|6.936710|7.981442|13.784620|36.858105| |1.224375|1.320512|1.399525|1.515894|11.447803|1.759422|2.388055|1.868989|2.647889|2.535003|2.083376|0.054103|2.015888|1.925343|2.555819|1.819953|1.995513|3.470571|1.956174|2.469077|2.874763|3.580703|3.578205|2.862847|2.470395|4.853116|2.278260|2.185545|7.644053|6.260416|6.989619|4.759913|4.234790|4.778547|7.071484|10.870225|448.794386| |17.551178|8.779012|5.459381|4.054676|21.783535|2.551928|3.483665|2.180278|2.750471|2.981933|1.752115|0.047003|1.657898|1.749875|2.719493|1.628171|1.470383|2.477646|1.393449|1.672744|1.596826|1.514595|1.499842|1.564487|1.652628|2.696441|1.558073|1.469557|2.512190|1.342946|1.262715|1.254932|1.179705|1.120902|1.125476|1.190618|9.450758|0.500000| |17.539518|8.774726|6.781781|4.508137|25.041710|2.775115|3.643257|2.266708|2.915298|3.244202|1.849046|0.049708|1.712863|1.781404|2.765960|1.630040|1.513765|2.527126|1.446904|1.788413|1.694923|1.619879|1.625729|1.710920|1.796629|2.978260|1.735092|1.644536|2.731020|1.447567|1.365028|1.367418|1.284274|1.211759|1.209062|1.278216|10.035136|0.301681|0.500000| |17.539175|8.774492|6.781684|4.507989|25.045176|2.773750|3.649771|2.268171|2.912820|3.237589|1.843238|0.050091|1.718691|1.790347|2.771303|1.644205|1.522816|2.542105|1.458639|1.745573|1.637393|1.545961|1.545359|1.638526|1.744854|2.843230|1.670571|1.574940|2.577408|1.361609|1.279646|1.281832|1.202957|1.134356|1.131837|1.197285|9.419140|0.301675|0.301645|0.500000| |8.859717|17.518022|8.854026|6.920753|30.511374|3.533320|4.951997|2.930785|3.577002|3.902549|2.197414|0.057660|2.058233|2.205453|3.566546|2.008270|1.773913|2.963025|1.653006|2.092246|1.996085|1.870216|1.831822|1.908086|2.038190|3.227045|1.843882|1.700451|3.020219|1.606175|1.484179|1.461286|1.353437|1.279681|1.293674|1.387332|11.059326|0.212817|0.210727|0.172949|0.500000| |8.859593|17.517517|8.853771|6.920326|30.517553|3.530543|4.968336|2.933956|3.572481|3.891146|2.187764|0.058256|2.068307|2.222389|3.577981|2.034766|1.788431|2.987090|1.670446|2.025010|1.904534|1.759687|1.719801|1.809834|1.964024|3.058372|1.767510|1.624352|2.817542|1.491815|1.376929|1.358847|1.259838|1.190073|1.200942|1.286192|10.255663|0.212816|0.172950|0.210716|0.303832|0.500000| |6.874155|8.850385|17.525304|8.852058|46.794608|4.302809|5.290926|3.100490|4.008295|4.723099|2.419960|0.065909|2.183051|2.255227|3.575674|1.995765|1.882685|3.076248|1.803430|2.246153|2.044151|1.892489|1.897365|2.061288|2.255144|3.542352|2.111996|1.937381|3.096808|1.602804|1.482078|1.486108|1.373179|1.278448|1.274540|1.364002|10.665810|0.140466|0.169111|0.203967|0.173677|0.211752|0.500000| |6.874355|8.850017|17.526801|8.852142|46.771380|4.307700|5.270933|3.096632|4.014589|4.743464|2.433010|0.065048|2.171148|2.237446|3.564120|1.970654|1.865710|3.049884|1.781483|2.339097|2.158772|2.032291|2.051371|2.210358|2.369675|3.812684|2.246306|2.070768|3.372721|1.747502|1.618646|1.623468|1.497260|1.391751|1.387267|1.486683|11.580252|0.140466|0.203974|0.169125|0.211730|0.173672|0.303371|0.500000| |4.522701|6.831077|8.803248|17.621230|56.452845|6.544064|9.225857|4.695760|5.501057|6.253385|3.112681|0.079536|2.805807|3.019131|5.196530|2.594557|2.302843|3.749685|2.115134|2.908251|2.700972|2.450394|2.377052|2.519899|2.786935|4.139771|2.356933|2.088718|3.787840|1.970625|1.771543|1.733800|1.570443|1.465494|1.486253|1.623128|12.903644|0.108345|0.119385|0.111016|0.206223|0.170474|0.173262|0.211274|0.500000| |4.523437|6.834545|8.802309|17.625211|56.447156|6.524478|9.335705|4.709420|5.484001|6.204719|3.085017|0.081116|2.831613|3.063564|5.233388|2.653162|2.334984|3.799133|2.152047|2.734369|2.485272|2.215314|2.145310|2.304462|2.604626|3.798488|2.202245|1.951279|3.407541|1.769106|1.596223|1.568796|1.428506|1.334489|1.349621|1.466630|11.669561|0.108373|0.111035|0.119372|0.170628|0.206328|0.211130|0.173259|0.302593|0.500000| |2.182970|2.646049|2.826917|3.632163|25.203311|4.937220|9.883278|9.442070|8.134957|6.189305|4.954500|0.113784|5.836090|9.207965|26.091009|7.515234|4.208616|7.026340|3.282518|3.991861|3.897017|3.113893|2.699575|2.729741|3.205143|4.144010|2.238700|1.912177|4.081115|2.169378|1.860916|1.748243|1.554877|1.469236|1.532004|1.716091|14.272383|0.057616|0.057555|0.057869|0.076085|0.076810|0.073188|0.072556|0.108068|0.110228|0.500000| |1.597696|1.832386|1.933512|2.286395|16.699133|2.980496|4.735893|4.385114|5.418723|4.227707|4.388387|0.103947|6.479375|8.887795|8.409873|17.624405|6.097494|13.046891|4.114250|3.859639|4.217904|3.368513|2.763526|2.649653|3.007363|3.973561|2.077271|1.789211|4.198114|2.305599|1.950353|1.788193|1.585871|1.517569|1.610561|1.823545|15.661947|0.042717|0.042911|0.042848|0.052408|0.052295|0.051257|0.051363|0.066622|0.066400|0.163788|0.500000| |1.774739|2.067821|2.161358|2.598749|18.344404|3.296378|5.563931|5.042248|5.646264|4.448587|4.100400|0.098768|5.595377|8.906920|10.611008|17.573852|4.707520|8.913674|3.455064|3.414942|3.494442|2.843219|2.430424|2.400413|2.751857|3.670612|1.965570|1.702575|3.731406|2.026927|1.746965|1.627050|1.456508|1.391200|1.461896|1.634459|13.838477|0.047551|0.047015|0.047558|0.059029|0.060107|0.057202|0.056267|0.075495|0.077820|0.249427|0.300385|0.500000| |1.605137|1.839023|1.949641|2.303830|16.969546|3.026013|4.763173|4.388863|5.502257|4.311459|4.413568|0.110881|6.703866|8.865367|8.109617|17.655315|6.626066|13.980638|4.485085|3.563264|3.561653|2.866303|2.465530|2.463515|2.861003|3.762174|2.022330|1.742938|3.765357|2.027257|1.747122|1.634780|1.461931|1.391071|1.456268|1.626861|13.676147|0.042817|0.042751|0.043536|0.051732|0.053131|0.052520|0.051164|0.065384|0.068302|0.157893|0.304859|0.300430|0.500000| |1.484973|1.661251|1.846693|2.129914|17.594648|3.079283|4.080621|3.665543|6.131075|5.144444|6.809571|0.212369|6.601439|4.528880|4.993909|3.749105|8.803428|11.022011|17.577852|6.755567|5.716294|4.571107|4.206913|4.579996|5.733272|6.610866|3.470443|2.779181|5.980712|2.946790|2.458775|2.351029|2.025754|1.850263|1.898292|2.159248|17.134650|0.038804|0.040689|0.040660|0.046188|0.046147|0.050446|0.050499|0.059451|0.059357|0.086317|0.103130|0.086837|0.105208|0.500000| |1.365218|1.517862|1.658812|1.892443|15.128275|2.584621|3.533623|3.117519|4.833184|4.094820|4.747845|0.142933|5.497597|4.173430|4.470926|3.832423|8.992803|13.871036|17.632093|4.342714|4.058762|3.410805|3.106339|3.227959|3.759991|4.936016|2.644139|2.232591|4.691233|2.424379|2.082833|1.984742|1.751821|1.631176|1.681826|1.885291|15.258730|0.035971|0.037177|0.037507|0.042128|0.042606|0.045545|0.044961|0.052640|0.053583|0.080034|0.106046|0.087780|0.115553|0.299757|0.500000| |1.518759|1.702678|1.893228|2.188980|18.045205|3.162132|4.216138|3.774203|6.211618|5.217988|6.337802|0.224702|6.663265|4.710453|5.149672|3.945190|8.842384|11.066752|17.539929|5.019929|4.163137|3.370304|3.155580|3.490097|4.384476|5.331012|2.971224|2.442336|4.675331|2.347065|2.022677|1.960007|1.728427|1.591756|1.622341|1.810103|14.408604|0.039672|0.041203|0.041940|0.046806|0.047886|0.052399|0.050989|0.059957|0.062285|0.089757|0.102006|0.091733|0.117665|0.301625|0.299630|0.500000| |1.676612|1.918313|2.103832|2.500369|19.668428|3.608917|5.214402|4.919958|7.259128|5.609591|6.860475|0.143474|7.272866|6.272119|7.294942|4.917891|6.097040|9.468530|4.836165|8.934716|17.747380|8.933589|5.657401|4.945643|5.646420|6.520624|3.132942|2.553511|7.458434|3.913955|2.986880|2.659871|2.231986|2.076467|2.217086|2.635320|22.173717|0.044023|0.046119|0.044733|0.055129|0.052823|0.055209|0.057862|0.073940|0.068618|0.122664|0.149511|0.115051|0.115856|0.147077|0.114544|0.113237|0.500000| |1.531887|1.713235|1.866678|2.133587|16.715076|2.810035|3.855100|3.248759|4.786250|4.261090|4.069324|0.097781|3.851925|3.490376|4.475781|3.059610|3.653555|6.034477|3.408554|5.661265|8.928574|17.762873|8.947778|5.629310|4.972498|7.592690|3.323882|2.804276|12.546472|7.461682|4.699972|3.795133|3.002873|2.785257|3.083218|3.962725|33.831962|0.040340|0.042857|0.040756|0.049525|0.046381|0.048916|0.052654|0.063335|0.057101|0.081507|0.092551|0.076733|0.076424|0.108395|0.086663|0.082661|0.217654|0.500000| |1.844809|2.081371|2.440247|2.847444|26.469238|4.608389|5.226812|4.337265|8.285550|8.940201|7.129927|0.218918|4.612513|3.690687|4.940676|2.886458|4.021471|5.750183|4.415803|8.920270|5.680782|4.973376|5.636431|8.971647|17.773373|12.607952|7.502793|4.709099|7.606133|3.331056|2.801977|2.824873|2.381402|2.083523|2.070800|2.345685|17.571218|0.047026|0.051391|0.050418|0.057512|0.056167|0.066421|0.068681|0.078726|0.075346|0.085407|0.076968|0.072681|0.076077|0.148190|0.100525|0.124925|0.124411|0.107935|0.500000| |1.632038|1.783047|2.061441|2.275786|20.355092|3.122005|3.647313|2.856226|4.790864|5.237354|3.878657|0.118296|3.032892|2.571770|3.432563|2.164976|2.889109|4.395443|3.291411|4.573423|3.740181|3.782368|4.729261|7.045861|6.770448|16.526004|17.539777|8.852381|7.492486|3.226704|2.909746|3.147506|2.690238|2.274698|2.176814|2.402590|17.157194|0.041769|0.046045|0.044966|0.049034|0.047746|0.056896|0.059117|0.062460|0.059835|0.062254|0.058819|0.055470|0.058239|0.108455|0.081207|0.093096|0.086576|0.087787|0.229338|0.500000| |1.874144|2.062690|2.439914|2.703229|25.156470|3.735509|4.182799|3.160391|5.270227|6.212525|3.918994|0.113141|2.998141|2.626749|3.661577|2.184028|2.709613|4.150324|2.902452|4.640259|3.804843|3.853851|4.823972|7.175992|6.846965|16.533500|17.554967|8.839639|7.614376|3.276614|2.945104|3.176169|2.707471|2.290754|2.196212|2.429089|17.358948|0.047427|0.053411|0.051277|0.056886|0.054345|0.066586|0.071442|0.074541|0.069041|0.066631|0.059003|0.056868|0.057678|0.092423|0.071047|0.081862|0.087894|0.089290|0.228386|0.300991|0.500000| |1.463500|1.564033|1.770890|1.891113|16.083488|2.348298|2.837930|2.167439|3.404452|3.652911|2.665911|0.077140|2.248734|1.992827|2.683489|1.744978|2.182525|3.472876|2.404108|3.123731|2.858262|3.121174|3.981489|4.867340|4.022505|12.961899|8.862304|17.574354|7.462514|3.308339|3.284856|3.934277|3.474252|2.779101|2.517034|2.682427|18.057869|0.037750|0.041829|0.040196|0.043329|0.041534|0.048641|0.051602|0.052510|0.049381|0.050006|0.048226|0.045392|0.046884|0.076564|0.062082|0.066360|0.068432|0.076940|0.115713|0.212171|0.173311|0.500000| |1.606791|1.710978|1.971435|2.083398|18.219005|2.563557|3.010860|2.248654|3.544391|3.974682|2.673628|0.078415|2.220138|1.985038|2.722635|1.724942|2.109441|3.336279|2.303738|3.002862|2.657909|2.775715|3.381651|4.243547|3.851669|10.251880|8.877604|17.554099|5.986439|2.733346|2.662363|3.049676|2.759703|2.299678|2.117237|2.244069|15.605549|0.041041|0.046088|0.044454|0.046884|0.045178|0.054758|0.057884|0.056935|0.053931|0.050868|0.046989|0.045256|0.046391|0.071853|0.058830|0.065230|0.064343|0.068212|0.118736|0.212802|0.212272|0.300402|0.500000| |1.630767|1.742847|1.994265|2.115966|18.162813|2.578386|3.068849|2.291120|3.563389|3.940410|2.677880|0.075636|2.233573|2.017341|2.787848|1.754276|2.101106|3.346712|2.238490|3.142796|2.884552|3.157751|4.032222|4.903785|4.035640|12.945225|8.865993|17.577277|7.571062|3.357793|3.331695|3.985073|3.507780|2.805973|2.544798|2.716591|18.276685|0.041777|0.047128|0.044524|0.048467|0.045666|0.054303|0.059213|0.059098|0.054191|0.052177|0.048307|0.046134|0.046574|0.070216|0.057151|0.061891|0.069029|0.077869|0.115554|0.173456|0.212121|0.300785|0.300445|0.500000| |1.480027|1.625921|1.762918|1.954705|15.186326|2.397381|3.205760|2.541336|3.690202|3.530269|2.920871|0.073774|2.691340|2.516957|3.384724|2.262136|2.555718|4.273473|2.485301|3.761599|4.608148|6.807280|7.126468|4.786324|3.821282|7.567549|3.261130|2.950698|16.568485|17.554156|8.897523|5.883791|4.306021|3.981120|4.611971|6.757870|52.073327|0.039023|0.042031|0.039246|0.047211|0.043387|0.046089|0.050762|0.058132|0.051376|0.063708|0.066678|0.058855|0.057629|0.077624|0.064571|0.063031|0.114084|0.227390|0.088711|0.081994|0.086578|0.081751|0.070468|0.086190|0.500000| |1.349548|1.476340|1.599957|1.771356|13.870962|2.207064|2.948897|2.382215|3.519108|3.314017|2.913802|0.075155|2.733974|2.486294|3.219971|2.259988|2.724584|4.585553|2.727741|3.755153|4.600444|6.797270|7.107475|4.772542|3.814308|7.544326|3.235172|2.923523|16.567604|17.554483|8.897949|5.878200|4.303769|3.981048|4.614529|6.766015|52.202955|0.035643|0.038077|0.036110|0.042417|0.039764|0.042363|0.045621|0.051836|0.047184|0.060196|0.067202|0.057749|0.058590|0.086817|0.072257|0.067807|0.113977|0.227772|0.088476|0.084514|0.082593|0.084161|0.069794|0.082168|0.301879|0.500000| |1.386967|1.490627|1.641820|1.768337|14.235847|2.137559|2.717640|2.099477|3.161009|3.209325|2.489775|0.067235|2.201556|2.003536|2.694952|1.790434|2.137168|3.506229|2.228480|3.087347|3.217474|4.043971|5.414583|4.866369|3.603063|10.360829|4.403650|4.602216|14.734077|7.004692|8.970344|17.773988|8.913856|5.646682|4.960427|5.689975|31.543059|0.036275|0.039754|0.037346|0.042386|0.039522|0.043866|0.047894|0.050937|0.046151|0.050710|0.051083|0.046689|0.047113|0.070610|0.058369|0.058534|0.077484|0.107451|0.090207|0.105265|0.106093|0.139114|0.102015|0.140799|0.152570|0.152342|0.500000| |1.230459|1.299073|1.409637|1.483985|11.669460|1.703161|2.186037|1.660651|2.442182|2.491844|1.885805|0.051444|1.715336|1.593918|2.153639|1.459071|1.682787|2.815815|1.748713|2.208235|2.282720|2.689934|3.197804|3.005081|2.472860|6.131598|3.020505|3.388260|7.237832|4.084319|5.633096|8.938303|17.721261|8.918527|5.654434|4.985328|27.438958|0.032414|0.035426|0.033221|0.036889|0.034434|0.037862|0.041208|0.042538|0.038872|0.041251|0.041574|0.038514|0.038747|0.053856|0.046677|0.046482|0.057432|0.074111|0.064556|0.075482|0.075752|0.103551|0.081561|0.104155|0.099674|0.099609|0.215351|0.500000| |1.118277|1.176690|1.255554|1.318055|10.105499|1.479874|1.939842|1.474116|2.123349|2.130922|1.634752|0.044161|1.529410|1.444992|1.948124|1.349768|1.511328|2.578165|1.544514|1.880862|1.994211|2.329849|2.596248|2.358195|2.017151|4.494718|2.236267|2.379285|5.652015|3.538227|4.920069|5.639348|8.898887|17.723095|8.936884|5.667853|31.691792|0.029741|0.032116|0.030081|0.033626|0.031326|0.033596|0.036487|0.038025|0.034775|0.037738|0.038840|0.035838|0.035833|0.046799|0.041725|0.040781|0.051631|0.066881|0.052355|0.057456|0.057786|0.070508|0.059336|0.071065|0.090629|0.090627|0.124035|0.214260|0.500000| 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