Version2.0 2020-02-04T06:33:02Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 13-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCSc1nc2n(n1)[C@H](C(=C(N2)C)C(=O)OC(C)C)c3ccc(c(c3)OC)OCc4ccc(cc4)C C41001902 RHF 6-31G(d) (6D,7F) CCSc1nc2n(n1)[C@H](C(=C(N2)C)C(=O)OC(C)C)c3ccc(c(c3)OC)OCc4ccc(cc4)C C01[X(C27H32N4O4S1)] 198 C1 608 CCSc1nc2n(n1)[C@@H](c1ccc(c(c1)OC)OCc1ccc(cc1)C)C(=C(N2)C)C(=O)OC(C)C CCSc1nc2n(n1)[C@@H](c1ccc(c(c1)OC)OCc1ccc(cc1)C)C(=C(N2)C)C(=O)OC(C)C CCSc1nn2[C@@H](c3ccc(OCc4ccc(C)cc4)c(OC)c3)C(=C(C)Nc2n1)C(=O)OC(C)C InChIKey=JFBBQELJOCKUQP-DEOSSOPVSA-N InChI=1S/C27H32N4O4S/c1-7-36-27-29-26-28-18(5)23(25(32)35-16(2)3)24(31(26)30-27)20-12-13-21(22(14-20)33-6)34-15-19-10-8-17(4)9-11-19/h8-14,16,24H,7,15H2,1-6H3,(H,28,29,30)/t24-/m0/s1 InChI=1/C27H32N4O4S/c1-7-36-27-29-26-28-18(5)23(25(32)35-16(2)3)24(31(26)30-27)20-12-13-21(22(14-20)33-6)34-15-19-10-8-17(4)9-11-19/h8-14,16,24H,7,15H2,1-6H3,(H,28,29,30)/t24-/m0/s1/f/h28H CCSc1nc2n(n1)[C@H](C(=C(N2)C)C(=O)OC(C)C)c3ccc(c(c3)OC)OCc4ccc(cc4)C C01[X(C27H32N4O4S1)] 198 C01 608 CCSc1nc2n(n1)[C@@H](c1ccc(c(c1)OC)OCc1ccc(cc1)C)C(=C(N2)C)C(=O)OC(C)C CCS[C@H]1N[C@@H]2N(N1)[C@@H](c1ccc(c(c1)OC)OCc1ccc(cc1)C)C(=C(N2)C)C(=O)OC(C)C CCS[C@H]1N[C@H]2NC(=C([C@@H](N2N1)c3ccc(OCc4ccc(C)cc4)c(OC)c3)C(=O)OC(C)C)C InChIKey=RDFQQDKZYUSLHN-OIKPOIBNSA-N InChI=1S/C27H36N4O4S/c1-7-36-27-29-26-28-18(5)23(25(32)35-16(2)3)24(31(26)30-27)20-12-13-21(22(14-20)33-6)34-15-19-10-8-17(4)9-11-19/h8-14,16,24,26-30H,7,15H2,1-6H3/t24-,26+,27-/m0/s1 InChI=1/C27H36N4O4S/c1-7-36-27-29-26-28-18(5)23(25(32)35-16(2)3)24(31(26)30-27)20-12-13-21(22(14-20)33-6)34-15-19-10-8-17(4)9-11-19/h8-14,16,24,26-30H,7,15H2,1-6H3/t24-,26+,27-/m0/s1 3934.6860898526 -1955.8263244 1-A 27847.2115 135 473 608 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3209.6680 3211.0898 3216.0400 3223.0728 3239.4744 3251.5662 3265.4696 3270.3932 3270.8150 3275.8598 3277.9177 3278.6509 3279.9344 3283.3057 3303.4984 3305.9451 3313.7901 3315.5020 3324.9538 3325.1820 3333.4785 3338.7093 3354.9572 3357.6414 3365.7489 3404.8374 3411.9318 3418.6889 3900.7510 3.9826 4.4891 2.0517 3.8681 2.5694 1.8521 5.7698 3.9327 3.6355 4.2706 2.3954 3.1674 3.5326 3.8743 4.4422 3.8863 3.8981 4.7031 4.4017 3.2411 1.4286 3.6686 4.2298 4.7472 5.0126 2.5673 5.1893 1.0257 2.6415 1.1295 1.9912 3.4531 2.4895 1.7273 3.8903 3.1874 3.6928 4.1264 3.4576 4.4099 3.7228 5.7053 2.1031 4.3571 2.5644 2.9652 2.8504 4.0930 5.3060 3.1847 3.3277 4.7395 2.6079 7.2230 6.2629 4.5674 4.2777 5.0647 5.8173 6.7590 6.1348 4.2243 5.4610 8.2143 3.1339 4.2166 3.9983 7.3329 9.3641 1.1170 5.9747 5.4073 3.7769 1.3838 5.7941 1.7514 4.1276 3.3644 1.2465 3.1577 1.7560 1.1863 3.7633 2.1594 1.7058 1.4152 2.2544 1.2961 1.5774 1.7311 3.0051 2.1461 2.7843 1.2232 1.7188 1.5218 4.4472 1.7256 1.5278 2.6868 2.7654 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182.61 197.05 220.93 228.21 239.48 249.18 280.34 297.91 324.75 330.20 349.07 369.06 374.50 399.13 403.76 433.98 441.93 480.71 482.05 497.94 511.31 543.15 553.53 579.11 599.97 631.42 640.80 650.58 656.42 662.86 680.70 717.66 744.74 754.97 760.35 784.47 850.30 863.30 917.23 934.18 956.48 977.62 1012.37 1014.76 1092.68 1102.83 1119.34 1121.59 1156.23 1161.14 1193.40 1216.21 1232.06 1234.85 1283.13 1291.04 1302.60 1304.10 1325.56 1334.69 1343.47 1379.29 1384.61 1430.08 1470.49 1478.98 1483.26 1490.34 1509.43 1530.46 1547.07 1566.72 1590.06 1590.15 1600.29 1610.60 1672.33 1673.02 1675.75 1684.15 1686.14 1688.82 1719.11 1721.55 1734.77 1752.14 1773.32 1808.37 1821.75 1834.78 1861.12 1862.62 1885.75 1893.87 1899.50 1914.21 1916.42 1924.24 1936.05 1969.18 1994.06 2002.63 2009.95 2015.13 2062.07 2071.10 2082.53 2094.14 2103.37 2109.24 2138.84 2160.33 2168.79 2200.73 2225.52 2252.10 2253.07 2254.41 2254.86 2260.90 2268.19 2286.90 2302.54 2339.92 2343.86 2348.45 2348.85 2350.45 2358.90 2359.43 2360.78 2362.18 2363.49 2370.96 2376.24 2382.40 2383.82 2390.96 2400.90 2442.48 2459.63 2519.44 2554.40 2572.23 2581.53 2610.69 2632.27 2653.33 2807.72 4586.83 4605.14 4614.75 4618.00 4620.04 4627.16 4637.28 4660.88 4678.28 4698.28 4705.37 4705.97 4713.23 4716.19 4717.25 4719.09 4723.94 4753.00 4756.52 4767.80 4770.27 4783.87 4784.20 4796.13 4803.66 4827.04 4830.90 4842.56 4898.80 4909.01 4918.73 5612.31 0.599214 0.633953 0.634898 0.522921 -1955.227111 -1955.192371 -1955.191427 -1955.303403 3.755693D-04 MUNgauss RevisionA2.0 retrievium 04-Feb-2020 DUDE CCSc1nc2n(n1)[C@H](C(=C(N2)C)C(=O)OC(C)C)c3ccc(c(c3)OC)OCc4ccc(cc4)C C41001902 RHF 6-31G(d) (6D,10F) C1 508.214428 |X|Y|Z| 90.412533 133.908028 41.730344 79.645713 23 6 7 8 18 4 1 |36.858105| |12.483181|36.858105| |6.976310|10.461070|388.023441| |4.605226|6.886878|76.990541|36.858105| |4.271559|6.485116|49.169064|14.011647|53.358707| |3.317141|4.506150|35.934191|9.260442|19.906323|36.858105| |3.080996|4.008447|35.906819|9.219945|11.938500|14.497937|53.358707| |3.599026|4.749240|50.840653|14.732865|11.550906|8.764761|19.067307|53.358707| |2.503642|3.074696|26.511108|5.483144|7.261592|7.708719|17.879545|10.427740|36.858105| |2.406925|2.898409|25.471167|4.968535|6.237745|5.968983|12.670319|9.595543|17.654644|0.500000| |2.264260|2.752229|22.041781|4.324145|6.417733|6.931071|10.787560|6.988598|12.445898|0.247389|36.858105| |2.361762|2.911913|22.127555|4.350287|7.172333|7.995723|9.509781|6.375108|7.541367|0.162187|14.161563|36.858105| |2.801923|3.611924|26.701799|5.595764|10.822449|13.962294|11.182951|7.480783|6.655091|0.143674|8.071109|13.771119|53.358707| |2.085995|2.500938|18.230549|3.324604|5.422738|5.165118|6.141494|4.676835|4.800455|0.114580|7.432757|12.601938|10.750861|36.858105| |1.940604|2.283604|18.159392|3.308373|4.719688|4.520678|6.977936|5.280276|7.617127|0.199914|12.880463|7.607819|6.905320|6.123594|36.858105| |1.862413|2.161947|17.553485|3.115185|4.249687|3.900037|6.323288|5.098403|6.977059|0.213901|8.139928|5.340841|5.527164|4.434925|15.940521|73.516695| |1.779466|2.070714|15.941192|2.818517|4.125440|3.812929|5.437902|4.287838|5.151681|0.134142|8.037586|6.741975|6.163572|6.974144|14.392273|15.305622|73.516695| |1.577332|1.800163|13.820613|2.356283|3.373664|2.977680|4.276184|3.560611|3.912389|0.107383|5.136665|4.471311|4.595437|4.749696|8.019366|12.668114|23.557449|36.858105| |1.491763|1.688869|12.995197|2.185751|3.092863|2.689875|3.894807|3.307586|3.557860|0.096093|4.338971|3.778523|4.066907|3.897109|6.134579|10.598785|14.005252|12.529563|36.858105| |1.486828|1.684983|12.644354|2.120269|3.082944|2.660053|3.676134|3.113731|3.161489|0.086220|4.071566|3.918082|4.175466|4.596950|5.333132|8.324411|14.341751|12.544558|7.515079|36.858105| |2.333191|2.792095|24.031734|4.573496|5.880617|5.529834|10.531877|8.287329|12.484202|0.248450|7.468227|5.409477|6.764625|3.928705|6.035996|10.675910|7.918636|3.604055|3.569618|2.890377|36.858105| |2.337955|2.795350|23.151533|4.299013|5.792515|5.268803|8.565676|7.028725|7.520945|0.156039|6.003304|5.085746|6.725753|3.864972|4.852051|8.060338|7.073996|3.253475|3.328792|2.700764|13.855760|36.858105| |2.122720|2.458640|20.089939|3.448216|4.564681|3.853820|5.976986|5.416142|4.993996|0.116772|4.268690|3.762617|4.996219|3.109615|3.825159|6.644295|5.880141|2.867140|3.066954|2.413580|7.926931|13.676404|36.858105| |1.953308|2.216414|18.374181|3.041904|3.908951|3.235164|5.140329|4.857722|4.411429|0.111169|3.718560|3.189904|4.156881|2.693053|3.552022|6.549617|5.435861|2.759241|3.007511|2.301114|6.821653|7.914750|13.825306|36.858105| |1.949147|2.213141|18.801211|3.134467|3.933397|3.292148|5.491448|5.226109|5.009158|0.134289|4.007431|3.266308|4.164130|2.714283|3.958568|7.783400|5.803617|2.970591|3.189451|2.418646|7.885593|6.866687|7.931586|13.549969|36.858105| |2.112433|2.449867|21.240794|3.732013|4.640427|4.049196|7.285469|6.622701|7.546091|0.206315|5.322482|4.020086|5.016511|3.171740|5.116072|10.343234|6.927537|3.399925|3.481876|2.703671|13.649533|7.982687|6.908353|7.923108|13.830304|36.858105| |1.770567|1.969148|16.600568|2.657145|3.323686|2.709968|4.401123|4.320002|3.857525|0.108799|3.232516|2.700787|3.453276|2.319906|3.314962|6.679065|5.017823|2.678271|2.905063|2.210980|5.180892|4.624298|5.295830|8.166979|14.136919|7.891701|73.516695| |1.716161|1.897365|16.088571|2.549401|3.163542|2.568674|4.197707|4.167765|3.689997|0.110445|3.103952|2.571692|3.264289|2.221169|3.271467|6.876649|4.921160|2.679754|2.845987|2.208332|4.520061|3.806272|3.993163|5.249302|8.035322|6.756892|24.217456|36.858105| |1.775728|1.972792|16.063419|2.554454|3.296139|2.651854|4.074717|3.947081|3.364656|0.087320|2.960800|2.622797|3.445902|2.296285|2.896155|5.355628|4.598545|2.409214|2.665261|2.053287|4.604857|5.189076|7.881877|14.142631|8.170091|5.294965|13.139539|4.793517|73.516695| |1.738013|1.915979|15.231727|2.382665|3.123486|2.469528|3.664563|3.561761|2.912323|0.074632|2.637910|2.423231|3.242484|2.163169|2.542119|4.574428|4.144932|2.170638|2.392795|1.894787|3.782300|4.500018|6.701331|8.011520|5.248946|3.987693|8.537461|3.553803|24.235703|36.858105| |1.564709|1.694260|13.350662|2.034556|2.660554|2.072642|3.049263|3.006261|2.400036|0.062985|2.202572|2.039397|2.728589|1.855114|2.160195|3.926651|3.572475|1.912316|2.110523|1.692348|2.969080|3.334043|4.398869|5.218187|4.069231|3.193453|7.324066|3.211439|14.264645|12.602286|36.858105| |1.495127|1.607682|12.788697|1.930045|2.494969|1.939208|2.884948|2.875142|2.285324|0.061269|2.081720|1.906692|2.536672|1.733672|2.070911|3.836269|3.407850|1.847701|2.035217|1.631079|2.792987|2.990977|3.766970|4.693104|4.022662|3.122490|7.903018|3.514815|12.400465|7.509765|13.769848|36.858105| |1.368274|1.454643|11.447040|1.702301|2.208080|1.700674|2.502666|2.505563|1.961791|0.053024|1.809766|1.674985|2.233920|1.542580|1.809306|3.346724|3.012555|1.650462|1.810356|1.476440|2.323295|2.456163|2.960478|3.498215|3.143346|2.562941|6.192114|2.946195|8.226044|5.002840|7.922166|13.713137|36.858105| |1.308452|1.384334|10.733558|1.587795|2.079404|1.592343|2.309385|2.305310|1.790489|0.048077|1.673525|1.570968|2.106302|1.461941|1.665243|3.042839|2.804947|1.536425|1.681975|1.390891|2.089923|2.239917|2.671579|3.011149|2.671425|2.244332|5.064026|2.453566|6.789685|4.408152|6.777982|7.870006|13.752074|36.858105| |1.355830|1.440234|11.073821|1.646863|2.175549|1.666327|2.394915|2.374881|1.847112|0.048964|1.737096|1.645209|2.215713|1.534697|1.713092|3.091654|2.898572|1.574913|1.726048|1.429873|2.165095|2.379413|2.880251|3.147730|2.691618|2.274820|4.912563|2.347044|7.086117|5.035190|7.901281|6.897840|8.006326|13.675125|36.858105| |1.477907|1.587099|12.263978|1.848674|2.446264|1.887107|2.720690|2.679755|2.107387|0.055181|1.971550|1.861681|2.508133|1.721388|1.928568|3.462305|3.243256|1.742480|1.916553|1.568162|2.526980|2.852110|3.600907|3.928351|3.180295|2.636153|5.639829|2.603239|9.254477|7.609513|13.690999|7.985403|6.928389|7.894985|13.801956|36.858105| |1.197809|1.256464|9.670086|1.416607|1.858614|1.415043|2.039959|2.042481|1.572455|0.042513|1.480493|1.397858|1.876100|1.311813|1.478801|2.702579|2.508052|1.383805|1.506488|1.265031|1.798489|1.902948|2.204999|2.440430|2.229831|1.922023|4.237713|2.124681|5.239766|3.266133|4.407950|4.996921|7.533067|12.605794|7.549788|5.016660|36.858105| |17.556923|8.864969|36.603098|3.878143|5.203280|3.030653|3.760216|4.223741|2.283847|0.060745|2.113799|2.235293|3.601215|2.013633|1.823923|3.094024|3.011673|1.506923|1.425394|1.434226|2.132099|2.156528|1.969198|1.807272|1.791327|1.929503|2.901875|1.579901|2.940639|1.631870|1.476046|1.406305|1.293406|1.244682|1.293632|1.405690|1.143937|0.500000| |17.565186|8.774176|46.194943|4.274025|5.254349|3.085594|3.991642|4.703399|2.418698|0.064496|2.165220|2.231679|3.558599|1.969494|1.868605|3.208919|3.041576|1.524047|1.455941|1.430199|2.311686|2.340062|2.160069|1.996206|1.976834|2.113094|3.204089|1.736021|3.251111|1.801158|1.626774|1.553526|1.422960|1.362302|1.412499|1.538860|1.246265|0.301438|0.500000| |17.564576|8.773944|46.194943|4.272172|5.257399|3.086638|3.991588|4.699470|2.413568|0.065668|2.178876|2.247214|3.562567|1.990219|1.888285|3.249656|3.072766|1.542061|1.452508|1.454567|2.230194|2.193554|1.994163|1.860820|1.882292|2.047322|3.068448|1.693529|3.014047|1.645971|1.491652|1.438142|1.320835|1.258999|1.295754|1.404973|1.157045|0.301444|0.301121|0.500000| |8.811062|17.631532|56.439751|6.534423|9.278788|4.703037|5.492697|6.231544|3.103138|0.079228|2.809989|3.024106|5.214627|2.604720|2.311597|3.849169|3.751052|1.824521|1.723935|1.709144|2.872620|2.970054|2.615130|2.310897|2.261462|2.480928|3.543711|1.892821|3.654542|2.021109|1.773563|1.663608|1.500447|1.434889|1.505672|1.669483|1.297286|0.212272|0.210319|0.172565|0.500000| |8.810580|17.632077|56.432196|6.527694|9.296388|4.706954|5.492570|6.222239|3.092377|0.081418|2.839922|3.063018|5.227409|2.653103|2.348990|3.919686|3.809780|1.855524|1.718292|1.750998|2.721280|2.687650|2.336531|2.108621|2.123563|2.376785|3.363542|1.838349|3.328476|1.809671|1.603130|1.524763|1.382637|1.316163|1.367176|1.503014|1.197983|0.212286|0.172564|0.210279|0.302732|0.500000| |2.833678|3.642612|25.231427|4.942646|9.908926|9.445479|8.130208|6.192128|4.945634|0.114085|5.852379|9.202624|26.099329|7.527722|4.176969|6.084979|7.030304|3.056377|2.713975|2.886353|3.970963|4.057910|3.189014|2.683635|2.656022|3.098319|3.998839|2.132780|4.053973|2.183168|1.860862|1.727741|1.535796|1.460208|1.540156|1.732705|1.308673|0.075830|0.072624|0.073000|0.108841|0.110126|0.500000| |1.923409|2.272087|16.618615|2.963964|4.695169|4.345476|5.398218|4.214210|4.389422|0.104779|6.540813|8.868744|8.279218|17.644474|6.017719|7.795776|13.451663|5.209806|4.456443|5.057146|3.868552|3.933660|3.240612|2.793817|2.769626|3.164736|4.207352|2.238789|4.258232|2.268773|1.939756|1.800453|1.599107|1.519543|1.602857|1.804709|1.359739|0.051682|0.051022|0.050872|0.066195|0.065873|0.160089|0.500000| |2.163056|2.601419|18.310520|3.289986|5.562391|5.038264|5.628733|4.436338|4.089202|0.098546|5.582761|8.901470|10.663661|17.584920|4.582460|6.351199|8.893993|3.774231|3.226837|3.793871|3.431643|3.476354|2.854299|2.461125|2.443962|2.800358|3.746572|2.012480|3.783326|2.038099|1.758847|1.637662|1.465960|1.399492|1.474861|1.649084|1.260720|0.058677|0.056332|0.056912|0.076062|0.077503|0.250876|0.301340|0.500000| |1.969236|2.330189|17.055882|3.042445|4.816866|4.428062|5.494000|4.311912|4.365977|0.110377|6.561847|8.858213|8.239952|17.639956|6.157164|8.059850|13.370089|5.256851|3.998922|5.386879|3.529958|3.346682|2.757472|2.462762|2.534300|2.965154|3.925404|2.155766|3.774645|1.986554|1.727473|1.633232|1.463095|1.384197|1.441983|1.603028|1.249747|0.052849|0.051473|0.052831|0.066258|0.069220|0.162146|0.303365|0.301420|0.500000| |1.566760|1.780601|13.826730|2.340629|3.290841|2.877439|4.225512|3.576108|3.889326|0.112158|4.838091|4.066248|4.298615|4.101531|7.606977|14.233220|16.562239|17.652125|8.888276|8.878072|3.527866|3.078347|2.722509|2.680813|2.971579|3.443702|4.850370|2.814399|4.171085|2.089658|1.856362|1.817511|1.628325|1.506268|1.529903|1.682563|1.361297|0.041409|0.042028|0.042862|0.049636|0.051019|0.079136|0.118027|0.092927|0.127611|0.500000| |1.488097|1.686247|12.821907|2.156113|3.092234|2.684358|3.801374|3.218069|3.392218|0.088786|4.179074|3.818462|4.136649|4.082697|5.421088|8.738576|12.665800|8.838859|17.552196|6.852325|3.458562|3.379928|3.143335|3.003119|3.062239|3.277212|4.897432|2.627859|4.762327|2.456861|2.154843|2.044760|1.818309|1.706031|1.770952|1.977153|1.524532|0.039673|0.040394|0.040002|0.048241|0.047581|0.077511|0.137026|0.094654|0.112643|0.173819|0.500000| |1.379640|1.545955|11.850264|1.956729|2.748837|2.342759|3.379841|2.938520|3.005198|0.082760|3.518242|3.133429|3.490190|3.255944|4.692105|8.507526|10.086541|8.865090|17.552541|6.824586|3.023749|2.832980|2.674239|2.675075|2.840907|3.029085|4.752284|2.661678|4.327471|2.199715|1.981621|1.932084|1.740388|1.620703|1.651573|1.811845|1.464504|0.036712|0.037460|0.037461|0.043675|0.043676|0.065672|0.101125|0.077231|0.094129|0.212175|0.300680|0.500000| |1.539080|1.744692|13.636155|2.301990|3.205049|2.798168|4.168718|3.548968|3.936665|0.106917|4.588206|3.793218|4.126542|3.675336|6.564481|12.463896|12.583316|8.832129|17.604310|5.487792|4.131839|3.766240|3.502002|3.522495|3.830275|4.176568|6.165637|3.379292|5.466292|2.684590|2.343137|2.270663|1.993242|1.828670|1.868632|2.090089|1.622743|0.040598|0.041926|0.041621|0.049432|0.048938|0.075215|0.114057|0.085028|0.102081|0.214238|0.300147|0.301277|0.500000| |1.529982|1.737506|12.972873|2.177325|3.186482|2.742087|3.747075|3.173872|3.159302|0.087072|4.092130|4.042004|4.324514|4.841054|5.145885|7.953953|12.995755|8.832842|5.484313|17.568850|2.790706|2.583137|2.280726|2.165602|2.286856|2.587687|3.715474|2.104523|3.427017|1.782532|1.594539|1.539882|1.397641|1.317740|1.352916|1.479909|1.202222|0.041050|0.040606|0.041729|0.048676|0.050636|0.083850|0.138417|0.111789|0.170605|0.213789|0.140349|0.139937|0.123238|0.500000| |1.375655|1.542932|11.575141|1.908057|2.741780|2.322520|3.230099|2.796387|2.748424|0.076032|3.367291|3.214286|3.560366|3.645451|4.293274|7.160009|10.215036|8.871678|6.825391|17.561244|2.566758|2.405614|2.197554|2.130491|2.243592|2.462683|3.718848|2.107563|3.434145|1.785835|1.615979|1.568913|1.431138|1.349752|1.380758|1.502567|1.234781|0.036914|0.036875|0.037509|0.043355|0.044391|0.068866|0.109927|0.086975|0.115163|0.211983|0.168722|0.202824|0.140028|0.301023|0.500000| |1.482995|1.682157|12.476306|2.091597|3.081663|2.653556|3.592428|3.034654|3.036258|0.080654|3.932121|3.964391|4.252549|4.931821|4.830637|7.300610|12.901798|8.827863|6.836392|17.558155|2.819511|2.716747|2.439204|2.288271|2.350806|2.593361|3.791856|2.093045|3.644244|1.917684|1.707819|1.629325|1.475118|1.399293|1.449744|1.594592|1.271348|0.039923|0.039664|0.040057|0.047807|0.048497|0.082852|0.161322|0.114336|0.154884|0.173568|0.204190|0.168385|0.140190|0.300556|0.300910|0.500000| |2.472715|3.012855|24.082128|4.594862|6.646512|6.206119|8.980637|7.030132|6.929168|0.140234|6.183050|5.861751|8.258688|4.381052|4.660032|7.309542|7.075806|3.177020|3.180345|2.711936|8.922831|17.714035|8.942930|5.653865|4.948712|5.651270|6.520243|3.141609|7.457995|3.910856|2.985302|2.653908|2.227887|2.072716|2.224626|2.645658|1.780057|0.063847|0.068216|0.063590|0.091030|0.080871|0.137051|0.123157|0.111796|0.101098|0.082077|0.091693|0.075144|0.096364|0.072711|0.066437|0.077112|0.500000| |2.077372|2.386067|18.919731|3.166164|4.286908|3.521596|5.166459|4.745581|4.085484|0.096640|3.689325|3.432069|4.661916|2.939270|3.312934|5.647770|5.304000|2.613747|2.808513|2.257764|5.660849|8.939339|17.761574|8.938357|5.635334|4.973958|7.590781|3.330243|12.552213|7.442059|4.694197|3.784160|2.998175|2.779827|3.098130|3.986360|2.278845|0.054036|0.059049|0.053748|0.071580|0.062718|0.085016|0.086025|0.076581|0.071921|0.068244|0.081722|0.068787|0.086878|0.059251|0.057365|0.064315|0.217682|0.500000| |2.057421|2.368206|20.678070|3.575278|4.392582|3.790801|6.852137|6.391101|7.082353|0.231977|5.084150|3.796282|4.686909|3.034138|5.166782|11.418976|6.879320|3.457046|3.448276|2.732470|8.947986|5.685804|4.975388|5.636881|8.955220|17.780283|12.598626|7.554325|7.598463|3.330514|2.798742|2.809348|2.364765|2.071614|2.070809|2.347570|1.802315|0.052122|0.056809|0.056132|0.065474|0.064448|0.081095|0.082850|0.074210|0.081016|0.101081|0.087490|0.084584|0.114462|0.073377|0.069633|0.071297|0.124506|0.107967|0.500000| |1.667410|1.853224|15.552026|2.504213|3.156337|2.604776|4.252458|4.095660|3.874167|0.118314|3.350044|2.720778|3.367334|2.362055|3.701128|8.158949|5.520781|3.062787|3.270545|2.464987|4.596332|3.762517|3.804904|4.758389|7.060223|6.769643|16.439538|17.559062|7.522722|3.231670|2.904469|3.104496|2.646290|2.250951|2.174349|2.405766|1.969020|0.042830|0.046441|0.045776|0.051308|0.050419|0.060896|0.066351|0.058688|0.064340|0.091027|0.081716|0.085022|0.110481|0.064821|0.065489|0.064019|0.087028|0.088288|0.227941|0.500000| |1.838009|2.032309|17.630106|2.771460|3.356001|2.697568|4.490368|4.610800|3.866011|0.119209|3.132444|2.596690|3.348325|2.212470|3.209366|6.706982|4.763582|2.551321|2.626393|2.123949|4.586244|3.755299|3.799901|4.754044|7.048362|6.752895|16.440335|17.556790|7.517254|3.254437|2.931163|3.165484|2.693015|2.274792|2.186273|2.414945|1.988614|0.046604|0.051681|0.050680|0.055767|0.054520|0.060625|0.060992|0.055978|0.059752|0.074882|0.067518|0.067982|0.084829|0.057041|0.056016|0.055811|0.086887|0.088200|0.226490|0.298958|0.500000| |1.589367|1.734490|14.519637|2.248966|2.807440|2.245721|3.580583|3.586331|3.051770|0.090372|2.647354|2.249369|2.875915|1.982414|2.795933|5.764207|4.331980|2.402667|2.572018|2.018168|3.619951|3.192576|3.415836|4.409540|5.891117|4.919519|17.019903|17.642302|7.768802|3.348696|3.178779|3.629026|3.115906|2.552161|2.383370|2.588630|2.229898|0.040824|0.044820|0.043676|0.048042|0.046647|0.052899|0.055695|0.050342|0.053684|0.070009|0.066358|0.068193|0.083450|0.053396|0.054161|0.053288|0.075193|0.082034|0.147175|0.299842|0.299949|0.500000| |1.881248|2.074905|16.522586|2.561696|3.336579|2.597724|3.830346|3.787656|2.950998|0.074937|2.631990|2.449697|3.357471|2.166246|2.468734|4.394733|4.004121|2.067786|2.231480|1.819445|3.802871|4.648605|6.845481|7.212235|4.856508|3.870127|7.655151|3.288869|16.596178|17.521730|8.889274|6.010837|4.363701|3.980182|4.589211|6.634524|3.038762|0.048909|0.054629|0.049114|0.061299|0.053824|0.062964|0.062443|0.057278|0.054923|0.055350|0.063648|0.056792|0.068729|0.048002|0.047400|0.051226|0.114657|0.225327|0.089690|0.082691|0.086668|0.085370|0.500000| |1.692271|1.874863|14.659506|2.321797|3.110424|2.484428|3.624011|3.439024|2.898331|0.073276|2.708884|2.517523|3.337801|2.279063|2.622382|4.640176|4.350499|2.276572|2.545289|1.993808|3.721075|4.570143|6.750396|7.027558|4.720730|3.772612|7.465975|3.217186|16.559068|17.529808|8.903155|5.766414|4.262706|3.972115|4.698257|7.006363|3.034629|0.044447|0.048388|0.044387|0.055279|0.049550|0.062677|0.067456|0.059618|0.057715|0.059991|0.074021|0.064667|0.078874|0.051699|0.052075|0.056671|0.113446|0.229133|0.087651|0.084105|0.081566|0.083768|0.301528|0.500000| |1.539905|1.662555|13.417471|2.035963|2.605277|2.036823|3.080270|3.080302|2.472322|0.066986|2.217940|1.999679|2.644602|1.799777|2.219774|4.175802|3.604200|1.955168|2.150271|1.706375|3.061634|3.191627|3.998255|5.321890|4.786788|3.561422|10.132184|4.333461|14.272385|6.943804|8.949358|17.758454|8.905886|5.623418|4.968135|5.668795|4.081834|0.040015|0.044339|0.041323|0.047485|0.043851|0.049640|0.051691|0.046895|0.047265|0.053874|0.059262|0.056589|0.067473|0.044774|0.045554|0.046969|0.076964|0.106495|0.089269|0.102617|0.105975|0.126297|0.156584|0.147202|0.500000| |1.319316|1.396606|11.026632|1.630484|2.105175|1.618658|2.390751|2.405464|1.876648|0.051302|1.728711|1.594178|2.121146|1.469520|1.740041|3.246300|2.893871|1.596568|1.744652|1.429328|2.197095|2.274536|2.677828|3.174200|2.975552|2.452882|6.039174|2.970718|7.164706|4.083919|5.650516|8.944283|17.698553|8.932598|5.670017|4.979315|6.977719|0.034610|0.038066|0.035574|0.039756|0.036955|0.040518|0.042144|0.038747|0.038972|0.044092|0.048259|0.046908|0.053338|0.037667|0.038658|0.039446|0.057282|0.073946|0.063992|0.073775|0.075472|0.089783|0.101227|0.098381|0.216127|0.500000| |1.299376|1.373826|10.446801|1.545723|2.055130|1.566422|2.228858|2.208047|1.706089|0.045178|1.619275|1.548790|2.093180|1.457211|1.594178|2.858765|2.719155|1.479390|1.615354|1.355937|1.970864|2.167723|2.573005|2.735133|2.364402|2.042777|4.267676|2.076024|5.904464|4.114192|5.635051|4.962832|5.670232|8.897178|17.689953|8.955469|7.005296|0.034616|0.037601|0.034456|0.039977|0.036273|0.040699|0.042298|0.039126|0.038056|0.039821|0.046251|0.043069|0.048112|0.035697|0.036433|0.038336|0.057143|0.077478|0.051962|0.053985|0.054151|0.058374|0.107848|0.111245|0.107746|0.124310|0.500000| |1.507099|1.622908|12.397815|1.875645|2.509354|1.933355|2.752107|2.692151|2.114357|0.054760|1.997808|1.910208|2.588078|1.775597|1.936698|3.431009|3.279693|1.749735|1.919873|1.584421|2.520969|2.910518|3.665672|3.781531|3.017943|2.560062|5.179656|2.410378|8.407295|7.079941|8.892502|5.660656|4.977547|5.632207|8.958662|17.676406|4.097584|0.039989|0.043568|0.039565|0.047811|0.042684|0.049918|0.051926|0.047524|0.045618|0.046558|0.055620|0.050171|0.057683|0.041542|0.042007|0.045099|0.076507|0.117675|0.062986|0.062673|0.062651|0.065622|0.184608|0.205123|0.124334|0.107916|0.217195|0.500000| |1.193078|1.244806|9.530651|1.385014|1.817692|1.374390|1.970691|1.982594|1.504338|0.040599|1.415810|1.345437|1.818504|1.263718|1.404046|2.553322|2.383097|1.309135|1.414505|1.202783|1.709149|1.814987|2.088558|2.273926|2.073879|1.808315|3.889318|1.960190|4.798262|3.023429|3.949186|4.258621|5.805771|8.832320|6.797120|4.619705|17.545366|0.031712|0.034601|0.031969|0.035753|0.032885|0.035374|0.036280|0.033905|0.033407|0.035745|0.039837|0.038126|0.042105|0.031873|0.032559|0.033636|0.047543|0.060379|0.047121|0.050504|0.051581|0.056693|0.080455|0.078252|0.098582|0.149384|0.195438|0.109194|0.500000| |1.141115|1.198432|9.169424|1.348987|1.781581|1.360510|1.952774|1.941384|1.510093|0.040798|1.436237|1.360016|1.817233|1.286069|1.442939|2.631184|2.466160|1.368728|1.497843|1.256696|1.717586|1.817470|2.092476|2.294581|2.101676|1.826322|3.971903|2.004349|4.866223|3.022841|3.955233|4.314495|5.940365|8.834200|6.611996|4.565924|17.534740|0.030371|0.032853|0.030626|0.034392|0.031872|0.035298|0.037179|0.034335|0.034089|0.037306|0.042251|0.040647|0.044628|0.033083|0.034194|0.035166|0.047455|0.060211|0.047680|0.052253|0.051876|0.058298|0.077364|0.080309|0.100168|0.154642|0.185351|0.107512|0.302262|0.500000| 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