Version2.1 2020-12-17T19:28:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 11-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc(cc1)NC(=O)N[C@H](CCC(C)C)c2c3c(sc2n4cccc4)C[NH+](CC3)C C20532144 RHF 6-31G(d) (6D,7F) CCc1ccc(cc1)NC(=O)N[C@H](CCC(C)C)c2c3c(sc2n4cccc4)C[NH+](CC3)C C01[X(C27H37N4O1S1)] 204 C1 573 CCc1ccc(cc1)NC(=O)N[C@@H](c1c(sc2c1CC[NH+](C2)C)n1cccc1)CCC(C)C CCc1ccc(cc1)NC(=O)N[C@@H](c1c(sc2c1CC[NH+](C2)C)n1cccc1)CCC(C)C CCc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3CC[NH+](C)Cc3sc2n4cccc4)cc1 InChIKey=ZHCQOZQSKJVUBU-HSZRJFAPSA-O InChI=1S/C27H36N4OS/c1-5-20-9-11-21(12-10-20)28-27(32)29-23(13-8-19(2)3)25-22-14-17-30(4)18-24(22)33-26(25)31-15-6-7-16-31/h6-7,9-12,15-16,19,23H,5,8,13-14,17-18H2,1-4H3,(H2,28,29,32)/p+1/t23-/m1/s1 InChI=1/C27H36N4OS/c1-5-20-9-11-21(12-10-20)28-27(32)29-23(13-8-19(2)3)25-22-14-17-30(4)18-24(22)33-26(25)31-15-6-7-16-31/h6-7,9-12,15-16,19,23H,5,8,13-14,17-18H2,1-4H3,(H2,28,29,32)/p+1/t23-/m1/s1/fC27H37N4OS/h28-30H/q+1 CCc1ccc(cc1)NC(=O)N[C@H](CCC(C)C)c2c3c(sc2n4cccc4)C[NH+](CC3)C C01[X(C27H37N4O1S1)] 204 C01 573 CCc1ccc(cc1)NC(=O)N[C@@H](c1c(sc2c1CC[NH+](C2)C)n1cccc1)CCC(C)C CC[C]1[CH][CH][C]([CH][CH]1)NC(=O)N[C@@H]([C]1=C(SC2=[C]1CC[NH](C2)C)N1C=[CH][CH]=C1)CCC(C)C CC[C]1[CH][CH][C]([CH][CH]1)NC(=O)N[C@H](CCC(C)C)c2c3CC[NH](C)Cc3sc2n4cccc4 InChIKey=OAAPEAIMMOETNU-HSZRJFAPSA-N InChI=1S/C27H37N4OS/c1-5-20-9-11-21(12-10-20)28-27(32)29-23(13-8-19(2)3)25-22-14-17-30(4)18-24(22)33-26(25)31-15-6-7-16-31/h6-7,9-12,15-16,19,23,30H,5,8,13-14,17-18H2,1-4H3,(H2,28,29,32)/t23-/m1/s1 InChI=1/C27H37N4OS/c1-5-20-9-11-21(12-10-20)28-27(32)29-23(13-8-19(2)3)25-22-14-17-30(4)18-24(22)33-26(25)31-15-6-7-16-31/h6-7,9-12,15-16,19,23,30H,5,8,13-14,17-18H2,1-4H3,(H2,28,29,32)/t23-/m1/s1/f/h28-29H 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14865.2457 26340.9148 30451.3965 0.99972 -0.01601 -0.01740 0.01601 0.99987 0.00002 0.01740 -0.00030 0.99985 1 0.00583 0.00329 0.00284 0.12141 0.06851 0.05927 14.25 22.13 28.43 31.30 40.54 54.17 58.82 64.66 68.98 74.18 86.07 94.31 128.77 142.14 163.96 182.04 199.28 228.59 276.08 288.03 299.40 323.43 341.73 343.60 347.76 350.72 366.02 389.03 394.53 425.76 434.80 446.66 492.22 518.64 557.90 572.05 588.88 598.16 610.65 642.80 657.99 660.26 671.10 704.80 717.91 741.44 775.16 807.84 842.02 858.13 895.48 911.14 952.00 956.80 965.34 1008.25 1064.87 1134.55 1145.13 1160.34 1165.90 1175.55 1214.70 1217.70 1225.40 1232.99 1248.70 1268.04 1291.36 1320.63 1328.38 1346.72 1364.87 1371.93 1403.80 1430.08 1445.07 1454.97 1476.53 1478.81 1498.11 1498.54 1505.75 1509.82 1534.67 1544.27 1553.67 1571.54 1585.05 1597.21 1604.00 1607.63 1619.55 1627.94 1640.98 1661.31 1676.62 1704.78 1723.70 1730.78 1743.11 1746.92 1751.69 1790.86 1804.00 1837.74 1859.00 1864.25 1869.05 1874.27 1887.77 1897.18 1904.53 1929.21 1964.45 1987.02 1995.02 2010.07 2021.68 2029.82 2057.86 2078.24 2087.95 2096.29 2117.64 2124.03 2133.15 2153.51 2167.67 2185.72 2189.41 2203.72 2207.22 2239.75 2247.88 2248.04 2249.93 2254.24 2262.93 2271.11 2274.76 2289.95 2317.58 2334.02 2338.30 2347.55 2350.67 2352.54 2357.78 2359.95 2364.16 2365.58 2369.17 2374.41 2375.53 2379.39 2386.24 2388.46 2416.52 2440.35 2465.19 2475.18 2507.79 2580.53 2610.48 2623.38 2797.17 4559.91 4578.74 4592.08 4602.05 4611.66 4611.87 4621.33 4636.24 4664.11 4670.42 4680.64 4687.79 4693.44 4697.24 4701.09 4709.21 4710.80 4711.47 4713.60 4714.46 4731.55 4743.83 4762.36 4797.43 4805.18 4835.36 4838.03 4841.16 4843.78 4931.44 4948.67 4954.90 4973.08 4987.34 5292.82 5549.87 5576.13 0.651647 0.683524 0.684468 0.582033 -1733.309993 -1733.278116 -1733.277172 -1733.379607 3.435687D-04 MUNgauss RevisionA2.0 retrievium 17-Dec-2020 DUDE CCc1ccc(cc1)NC(=O)N[C@H](CCC(C)C)c2c3c(sc2n4cccc4)C[NH+](CC3)C C20532144 RHF 6-31G(d) (6D,10F) C1 465.268809 |X|Y|Z| 74.291920 56.175283 108.572659 76.807290 24 6 7 16 19 4 1 |36.858105| |12.422188|36.858105| |7.502409|12.582553|36.858105| |5.658810|7.526321|13.708795|36.858105| |4.155761|4.992289|7.845752|13.758760|36.858105| |3.738280|4.409487|6.787744|7.957155|13.730204|36.858105| |4.150126|5.003570|7.887959|6.936160|7.957129|13.730182|36.858105| |5.640494|7.528107|13.717181|8.022017|6.884034|7.919783|13.770971|36.858105| |2.950207|3.320603|4.510328|5.125903|7.722501|13.427322|7.933744|5.176210|53.358707| |2.547005|2.848227|3.668541|4.311149|6.233688|7.657581|5.217927|3.925702|19.057528|36.858105| |2.532380|2.862682|3.637085|4.491572|6.479671|6.569580|4.543804|3.670767|11.427308|15.845493|73.516695| |2.188110|2.393961|2.954711|3.307384|4.330166|5.203845|4.114403|3.206254|11.297048|13.806571|15.006854|53.358707| |1.929491|2.086468|2.493315|2.805698|3.519556|3.871070|3.170092|2.618605|7.131642|7.759005|12.232435|17.737511|36.858105| |1.955957|2.093015|2.491471|2.857187|3.592869|3.785792|3.051263|2.562314|6.715522|7.102969|12.244792|12.419910|17.616001|0.500000| |1.722098|1.834387|2.146120|2.344383|2.824343|3.129796|2.711149|2.278169|5.515869|5.082086|7.930553|10.555205|12.371026|0.247788|36.858105| |1.721101|1.799225|2.094495|2.270139|2.708495|3.005352|2.640315|2.229887|5.220882|4.439190|6.795649|8.385852|7.387366|0.194507|12.419315|36.858105| |1.536601|1.593482|1.820330|1.936167|2.242405|2.470159|2.249698|1.940994|4.097154|3.314951|5.223088|5.788665|4.806054|0.126463|7.372172|12.382891|36.858105| |1.524555|1.557456|1.765587|1.861912|2.128183|2.334912|2.159348|1.883104|3.779617|2.928171|4.622481|4.822814|3.743548|0.102977|4.871550|7.574220|12.435575|36.858105| |1.398934|1.450298|1.636672|1.747246|1.998305|2.147730|1.956959|1.719701|3.465139|2.842186|4.673031|4.768316|4.180018|0.113206|6.075727|7.452685|12.430972|7.574769|36.858105| |1.833956|2.011310|2.372196|2.671355|3.270152|3.473473|2.894313|2.453780|5.925841|6.201458|11.621968|10.505206|12.541096|0.251588|7.552885|4.888251|3.737347|2.982699|3.528865|36.858105| |1.798594|2.000691|2.347156|2.585765|3.094900|3.344579|2.884340|2.457050|5.529467|5.349156|9.810798|8.465894|7.179675|0.152985|5.593200|3.910412|3.219645|2.620569|3.040363|13.146171|36.858105| |1.681279|1.871484|2.151710|2.366676|2.747884|2.863200|2.513625|2.210426|4.468577|4.095573|7.937500|5.979107|5.033432|0.120024|4.219442|3.165465|2.720018|2.264704|2.667637|8.186667|14.135785|36.858105| |1.611301|1.770691|2.012798|2.251394|2.594654|2.601302|2.257503|2.020082|3.985656|3.658197|7.417992|5.216091|4.703634|0.123448|3.942507|3.053664|2.623598|2.204653|2.664882|7.362400|7.417972|11.057424|388.023441| |1.729669|1.884960|2.182881|2.478270|2.959203|2.999017|2.522366|2.204488|4.821514|4.737584|9.611510|7.120800|7.590483|0.205073|5.617480|4.083524|3.277667|2.683516|3.274534|14.142133|8.258582|7.770650|77.828737|36.858105| |1.693736|1.817912|2.086070|2.388414|2.825847|2.790143|2.344274|2.076969|4.396632|4.176136|8.473964|6.087934|6.321008|0.206641|5.023914|4.024152|3.240311|2.713776|3.323160|7.739345|5.196177|4.998598|50.006828|13.647314|53.358707| |1.823825|1.947975|2.239690|2.625758|3.121816|2.965949|2.445826|2.186053|4.561144|4.280008|9.094072|5.772678|5.419156|0.192980|4.202031|3.664258|2.937090|2.568019|2.934436|5.788319|4.204321|4.011818|36.822094|7.735300|18.795993|36.858105| |1.689279|1.774348|2.003419|2.317343|2.676882|2.538827|2.145352|1.948399|3.826082|3.396502|6.831740|4.650344|4.215323|0.145994|3.612776|3.344608|2.787013|2.495239|2.867597|4.272437|3.311770|3.215589|28.935983|5.353166|11.720882|14.097065|36.858105| |1.519607|1.593674|1.786034|2.021440|2.310228|2.248597|1.940444|1.761077|3.420905|3.006033|5.825669|4.311539|4.029844|0.132804|3.722028|3.405822|2.936571|2.578243|3.179559|4.171476|3.270867|3.223505|29.614909|5.344053|11.717018|8.488948|13.312255|36.858105| |1.525064|1.616584|1.825570|2.055778|2.373982|2.354470|2.029603|1.820835|3.654369|3.295055|6.366691|4.890415|4.861337|0.154072|4.487692|3.794770|3.229892|2.715205|3.523428|5.421504|4.077757|4.036617|39.145922|7.696784|18.800581|8.502077|8.495697|14.101239|36.858105| |1.597270|1.787398|2.022720|2.178699|2.455771|2.559089|2.323628|2.082686|3.853481|3.320707|6.298984|4.710050|3.693291|0.090333|3.286916|2.605977|2.324032|1.978669|2.284156|5.049953|7.530386|12.717282|48.140683|4.853482|4.939229|3.094512|2.600635|2.613084|3.127880|36.858105| |1.694620|1.919160|2.186288|2.312826|2.599355|2.781459|2.579322|2.294937|4.166214|3.476004|6.372949|4.866591|3.546413|0.085324|3.162464|2.554343|2.281290|1.963158|2.181350|4.494511|6.766122|7.813586|33.471416|3.983125|4.208488|2.741485|2.320080|2.291182|2.668655|12.708943|53.358707| |1.845395|2.120132|2.439766|2.598761|2.933879|3.124939|2.871956|2.550680|4.610892|3.846396|7.209228|5.140362|3.626675|0.088112|3.109712|2.540399|2.232316|1.940655|2.111378|4.552526|6.615489|7.223866|32.804924|4.015183|4.270915|2.853653|2.385407|2.305615|2.652290|9.367243|25.671818|0.500000| |1.703740|1.912393|2.202501|2.308061|2.634410|2.928215|2.734218|2.370093|4.570884|3.800104|6.549005|5.669234|4.034349|0.092840|3.730195|2.947385|2.636794|2.229166|2.468767|4.891770|7.607609|6.836797|30.080661|3.991115|4.213581|2.716399|2.308238|2.298462|2.691945|7.730059|17.230577|0.258679|36.858105| |1.853307|2.076662|2.452040|2.623423|3.118156|3.548184|3.174025|2.652234|5.929355|5.295627|8.775460|8.476185|5.853517|0.124699|5.033081|3.731750|3.156271|2.606557|2.869107|7.212886|12.619218|7.657043|33.744836|5.070151|5.125427|3.272111|2.697208|2.649354|3.143311|6.363039|10.424827|0.205728|12.501146|36.858105| |1.577822|1.783011|1.987878|2.062576|2.251643|2.389502|2.283028|2.082982|3.471705|2.780548|5.058412|3.848721|2.784527|0.068822|2.569538|2.155281|1.975909|1.731985|1.904367|3.332604|4.444210|5.039467|25.736767|3.073103|3.426488|2.277119|1.981379|1.966982|2.243409|7.687382|17.407315|0.259473|7.650342|4.991819|36.858105| |17.554505|8.764138|6.792611|5.029849|3.960182|3.768069|4.364928|5.940576|4.089977|2.545527|4.399826|3.009917|1.933226|0.054195|1.742030|1.757646|1.575473|1.574799|1.423645|1.816132|1.780473|1.650809|11.179907|1.698321|2.259511|1.775113|1.646997|1.491095|1.500210|1.566610|2.272104|0.050221|1.699076|1.852619|1.554143|0.500000| |17.553663|8.780643|5.479559|4.424658|3.409319|3.102654|3.406318|4.415808|3.449547|2.235191|3.975141|2.655293|1.743820|0.049061|1.570242|1.567602|1.412927|1.403656|1.295834|1.672001|1.647572|1.554810|10.636224|1.588947|2.121861|1.672450|1.560668|1.412020|1.414289|1.489270|2.145101|0.047464|1.575835|1.694141|1.482172|0.301240|0.500000| |17.556296|8.764400|6.794180|5.972098|4.382533|3.771612|3.955396|5.013071|4.080368|2.616532|4.669776|3.042822|1.985780|0.056621|1.763506|1.771691|1.573276|1.564983|1.434878|1.877212|1.816093|1.697218|11.708850|1.782542|2.402469|1.925027|1.791324|1.596485|1.588738|1.596929|2.281059|0.050618|1.683090|1.846528|1.549316|0.301818|0.301253|0.500000| |8.853495|17.546743|8.919472|7.117723|4.714816|3.971338|4.220261|5.676788|4.180178|2.725966|5.004482|3.117335|2.029256|0.056823|1.775493|1.727581|1.530343|1.487997|1.405950|1.985798|1.977205|1.873873|12.728950|1.885170|2.482191|1.965303|1.791408|1.602134|1.620157|1.795932|2.604309|0.058925|1.876956|2.025135|1.782943|0.172994|0.213230|0.210694|0.500000| |8.853403|17.544026|8.917269|5.667667|4.204014|3.967584|4.724755|7.131857|4.190726|2.646708|4.678953|3.082416|1.973784|0.054392|1.753824|1.714729|1.532409|1.496420|1.395510|1.914518|1.931902|1.812478|12.062726|1.787146|2.326652|1.807716|1.648124|1.496500|1.527303|1.753494|2.591170|0.058309|1.899079|2.033188|1.790281|0.210719|0.213210|0.172994|0.304224|0.500000| |5.559673|6.985024|8.922892|17.700663|8.985430|5.668220|4.983509|5.678651|5.658752|3.740236|7.199702|4.013841|2.594269|0.074464|2.178977|2.110192|1.812227|1.745757|1.657297|2.507972|2.412465|2.252052|15.580911|2.385937|3.179413|2.608051|2.327394|2.012125|2.021671|2.078996|2.955185|0.067472|2.133448|2.396018|1.950502|0.129365|0.125424|0.173769|0.212844|0.143600|0.500000| |3.552375|4.084184|5.616660|8.927639|17.804693|8.912787|5.656167|4.964608|9.551577|6.726471|14.151731|6.216325|3.858007|0.113288|3.000551|2.851081|2.324951|2.187363|2.092368|3.602341|3.290769|2.934785|20.294054|3.326562|4.402770|3.704965|3.113779|2.610856|2.662843|2.561678|3.594178|0.082560|2.647727|3.173377|2.258780|0.093312|0.083560|0.106595|0.112046|0.097006|0.217240|0.500000| |3.539830|4.086681|5.628870|4.982126|5.648476|8.902700|17.683818|8.936612|9.954956|4.903532|7.285610|5.651357|3.155746|0.082547|2.775414|2.717243|2.341716|2.250753|2.011917|2.852554|2.883607|2.485417|15.612884|2.449485|3.071595|2.308636|2.035634|1.870876|1.972370|2.314325|3.545982|0.079501|2.839337|3.284210|2.317295|0.105897|0.083332|0.092965|0.097241|0.112214|0.107997|0.124126|0.500000| |5.516223|6.969242|8.909029|5.674264|4.956696|5.648890|8.965006|17.701881|5.729803|3.311388|5.486606|3.845300|2.343820|0.063335|2.087136|2.054251|1.820278|1.778191|1.616540|2.207400|2.234015|2.025648|13.123869|1.990641|2.552872|1.954181|1.760325|1.609653|1.664743|1.936480|2.921149|0.065590|2.224717|2.437520|1.982806|0.171617|0.124720|0.128463|0.143673|0.213165|0.124364|0.107703|0.217191|0.500000| |2.794180|3.080734|4.054929|4.308780|5.789291|9.304725|7.520546|4.884714|26.073110|9.416395|10.841481|10.769212|4.956306|0.126162|4.125550|4.036555|3.206700|2.988289|2.639212|4.009097|3.802610|3.059759|19.203391|3.239616|4.027011|3.002507|2.576702|2.355561|2.521892|2.677335|3.980999|0.088046|3.311882|4.256076|2.469204|0.080829|0.067151|0.077965|0.078082|0.080942|0.098727|0.144984|0.226799|0.115710|0.500000| |2.170254|2.339895|2.872832|3.134404|4.009119|4.969567|4.121778|3.185283|10.725302|9.423922|10.956305|26.042579|9.181681|0.201836|7.614407|7.059337|4.791903|4.053578|3.702122|5.758896|4.929974|3.674067|23.078496|4.241632|5.169101|3.637441|3.070872|2.890601|3.212656|3.022946|4.303797|0.091355|3.742770|5.252761|2.582152|0.061783|0.053711|0.061422|0.061417|0.061778|0.077181|0.113589|0.119910|0.079025|0.247666|0.500000| |1.596490|1.696117|1.957053|2.140323|2.533476|2.730049|2.385665|2.048982|4.605991|4.185237|6.968856|7.716935|8.970964|0.212456|17.602318|8.865700|6.719449|4.470328|6.775689|7.305511|5.365547|4.318909|30.413535|6.153043|7.706755|4.408791|3.874771|4.239796|5.405343|3.331904|4.186660|0.082704|3.528575|4.511495|2.518891|0.044618|0.040723|0.045494|0.045980|0.045085|0.056054|0.075406|0.067208|0.052410|0.093897|0.149078|0.500000| |1.686549|1.806329|2.108599|2.264195|2.698373|3.051996|2.712478|2.271391|5.353520|4.735069|7.256705|9.739327|8.799622|0.174290|17.495703|8.803488|6.801097|4.562388|5.513114|6.712485|5.856544|4.316295|26.683573|4.887604|5.664674|3.515456|3.046618|3.141295|3.756734|3.463207|4.669038|0.091902|4.284590|5.848902|2.779913|0.047572|0.042817|0.047517|0.048390|0.048450|0.058054|0.077862|0.078742|0.058374|0.114438|0.203618|0.303837|0.500000| |1.856449|1.936932|2.280375|2.455289|2.957950|3.381864|2.978186|2.466959|6.051627|4.910921|7.110691|9.336150|6.770902|0.175986|8.792496|17.501772|8.916548|7.225250|5.490954|4.465204|3.714073|2.984557|19.998761|3.662367|4.838800|3.367585|3.047758|2.997538|3.264750|2.500227|3.424718|0.070400|2.920836|3.718751|2.132654|0.053115|0.046636|0.052989|0.051125|0.051240|0.062504|0.085044|0.086263|0.062990|0.135771|0.252989|0.173420|0.208067|0.500000| |1.727149|1.792222|2.078089|2.281754|2.719654|2.932567|2.542675|2.175264|4.977541|4.260526|6.777678|7.442148|6.801416|0.211390|8.866184|17.510960|8.831810|6.857350|6.844884|4.630986|3.589478|2.995196|21.485012|4.115780|5.920931|4.094799|3.846193|3.890858|4.182007|2.457954|3.229435|0.066104|2.654105|3.303035|2.013664|0.048773|0.043711|0.049866|0.048035|0.047066|0.059575|0.081043|0.071274|0.055371|0.103655|0.163627|0.214088|0.173398|0.304444|0.500000| |1.516381|1.580843|1.804905|1.898589|2.188779|2.445369|2.262467|1.945676|4.057507|3.236565|5.047286|5.696014|4.525921|0.113187|6.870868|8.899653|17.481445|8.927129|8.910955|3.644586|3.287198|2.757833|18.307881|3.126461|4.057750|2.680534|2.507704|2.629834|2.929459|2.393051|3.247826|0.064251|2.826534|3.353004|2.074262|0.043305|0.038784|0.042795|0.042060|0.042542|0.049087|0.062236|0.066395|0.051045|0.089671|0.132517|0.169215|0.207800|0.213093|0.174112|0.500000| |1.527162|1.550031|1.751685|1.862329|2.124949|2.291857|2.100069|1.846388|3.666772|2.854091|4.580352|4.579745|3.613845|0.103870|4.478305|6.839672|8.768845|17.532832|6.839308|2.887439|2.492655|2.179529|15.435403|2.661165|3.774487|2.674159|2.655679|2.738482|2.810993|1.896331|2.536892|0.051483|2.079197|2.427113|1.645783|0.043690|0.039073|0.043870|0.041268|0.041121|0.048868|0.061273|0.059964|0.048225|0.079114|0.104516|0.117410|0.111320|0.177231|0.202989|0.173605|0.500000| |1.413492|1.440478|1.616198|1.690187|1.905569|2.079550|1.951356|1.722168|3.300657|2.533406|4.053582|4.086808|3.159563|0.086243|4.023793|5.492586|8.773088|17.559779|6.938637|2.628240|2.365009|2.078846|14.383556|2.397861|3.288551|2.277787|2.233381|2.332978|2.451131|1.845639|2.493573|0.049992|2.074454|2.368589|1.637037|0.040580|0.036369|0.040160|0.038285|0.038647|0.044202|0.054118|0.056662|0.045572|0.072302|0.093571|0.106395|0.108736|0.145217|0.140150|0.213532|0.301830|0.500000| |1.618596|1.648755|1.878883|1.966279|2.251334|2.510926|2.344041|2.027434|4.086091|3.073495|4.747604|5.029499|3.684772|0.100355|4.575841|6.919528|8.744614|17.541270|5.488086|2.903644|2.584942|2.215508|15.102395|2.570442|3.493084|2.465868|2.365642|2.388278|2.506944|1.948530|2.673654|0.054330|2.241807|2.632069|1.735717|0.046803|0.041220|0.046046|0.043411|0.044041|0.050761|0.063498|0.068627|0.053295|0.091928|0.121882|0.111462|0.122221|0.218640|0.169083|0.213200|0.301461|0.301890|0.500000| |1.399108|1.443680|1.625157|1.748582|1.997810|2.114845|1.911105|1.690196|3.380575|2.785839|4.657505|4.559187|4.056168|0.115963|5.466272|6.802930|8.769718|6.782971|17.529006|3.428138|2.882693|2.565819|18.826259|3.294340|4.768736|3.141497|3.165918|3.570370|3.837840|2.184681|2.811619|0.056011|2.289005|2.658947|1.805409|0.039426|0.036016|0.040111|0.039008|0.038383|0.046400|0.058698|0.053966|0.043963|0.070538|0.096782|0.172925|0.129828|0.141011|0.204580|0.173488|0.200329|0.168090|0.138886|0.500000| |1.381289|1.443523|1.629560|1.743510|1.996205|2.140777|1.944976|1.709177|3.456296|2.887272|4.805581|4.882824|4.444488|0.116814|6.648310|6.663821|8.699764|5.481964|17.559887|3.929176|3.400021|2.995346|21.273479|3.662702|4.941373|3.076434|2.962093|3.357757|3.891469|2.539773|3.248682|0.063389|2.713223|3.145021|2.067694|0.038874|0.035586|0.039255|0.039033|0.038663|0.045994|0.058235|0.055449|0.044578|0.072422|0.102213|0.233034|0.171984|0.137273|0.165895|0.213543|0.138948|0.141953|0.122256|0.301372|0.500000| |1.311923|1.354271|1.515267|1.602965|1.810502|1.943205|1.797082|1.593836|3.083034|2.475024|4.084709|4.047554|3.403868|0.092000|4.613558|5.452005|8.795610|7.023193|17.559450|2.971974|2.650804|2.369648|16.745697|2.786769|3.832194|2.523531|2.492543|2.754703|2.997605|2.078916|2.720250|0.053545|2.254022|2.550542|1.774211|0.037170|0.033909|0.037276|0.036448|0.036351|0.042322|0.052235|0.051539|0.041953|0.065570|0.087629|0.138595|0.123418|0.123597|0.140629|0.211985|0.172549|0.212192|0.142419|0.301866|0.302999|0.500000| |2.018959|2.179123|2.542043|3.059961|3.725243|3.438146|2.754401|2.452486|5.232064|5.023979|11.642749|6.268785|5.474282|0.191574|4.003508|3.509128|2.784665|2.466026|2.696994|5.793398|4.325020|4.059912|35.083180|6.987536|12.190253|17.810641|8.610150|5.771232|5.869570|3.154338|3.890974|0.084696|2.808023|3.420765|2.359441|0.054227|0.051038|0.059439|0.061297|0.055667|0.084626|0.128041|0.070939|0.060032|0.092570|0.107167|0.110948|0.095007|0.092926|0.106690|0.071537|0.070778|0.060645|0.067079|0.078795|0.077773|0.064990|0.500000| |1.711969|1.780603|1.993888|2.315192|2.636263|2.455916|2.084787|1.917017|3.618503|3.116695|6.233862|4.162092|3.584052|0.121992|3.117492|2.994429|2.535152|2.335937|2.583169|3.539916|2.852786|2.772050|24.026300|4.187345|7.983138|8.818708|17.792599|8.498389|5.814211|2.307820|2.850610|0.060156|2.078241|2.399102|1.814793|0.046207|0.044021|0.050860|0.050113|0.045677|0.065455|0.085426|0.054578|0.048123|0.067693|0.077696|0.090686|0.074286|0.077492|0.095815|0.063460|0.069736|0.058366|0.062032|0.079376|0.072760|0.063341|0.196623|0.500000| |1.417481|1.475137|1.636492|1.833746|2.065292|2.014040|1.763495|1.614000|3.031401|2.596352|4.941268|3.726479|3.373834|0.108029|3.253896|3.079749|2.759643|2.470057|3.059877|3.432750|2.803904|2.781807|24.770416|4.179460|7.981457|5.810772|8.495563|17.791968|8.818995|2.324422|2.796471|0.057101|2.064935|2.336382|1.794026|0.038706|0.036775|0.041355|0.041182|0.038585|0.050861|0.064023|0.047426|0.041274|0.058636|0.070876|0.102819|0.077748|0.075512|0.097558|0.068553|0.073563|0.062957|0.063058|0.097000|0.088823|0.075058|0.122660|0.195162|0.500000| |1.431820|1.518041|1.705915|1.894861|2.169741|2.183043|1.911278|1.716011|3.391971|3.013228|5.679844|4.578015|4.513514|0.133520|4.489851|3.724806|3.301822|2.723240|3.749207|5.141180|4.068534|4.100368|39.046235|6.911152|12.158030|5.863837|5.776333|8.631975|17.806001|3.217010|3.684009|0.073166|2.753846|3.155166|2.288381|0.039265|0.037014|0.041172|0.042157|0.040132|0.051514|0.066418|0.052144|0.043928|0.066000|0.084750|0.158578|0.107318|0.087730|0.110309|0.084226|0.077206|0.069241|0.069043|0.111651|0.119924|0.089028|0.126140|0.122777|0.197277|0.500000| |1.471292|1.630286|1.826861|1.948555|2.175347|2.274856|2.093637|1.887377|3.425089|2.900824|5.380426|4.209554|3.344756|0.082186|3.131876|2.503163|2.288848|1.943092|2.286164|4.390901|6.072566|8.796050|41.318028|4.282958|4.520027|2.805637|2.420276|2.490174|2.985035|17.588602|12.421557|0.182390|6.923056|5.417728|7.225295|0.040250|0.038282|0.040833|0.045379|0.044589|0.051777|0.062720|0.058454|0.049215|0.067225|0.076891|0.089941|0.092898|0.066084|0.065293|0.065990|0.051513|0.050848|0.052783|0.060315|0.071372|0.058348|0.077722|0.059783|0.062429|0.087713|0.500000| |1.588694|1.783880|1.999290|2.161286|2.401274|2.446773|2.225110|2.028238|3.588736|3.053259|5.941483|4.181727|3.250529|0.082170|2.865836|2.337558|2.090403|1.809240|2.064579|4.310716|5.726325|8.853757|45.673174|4.388099|4.667452|3.007181|2.545427|2.530525|2.969219|17.614592|12.382935|0.228581|5.632791|4.889780|7.066482|0.042968|0.041329|0.044153|0.050299|0.048581|0.057978|0.069875|0.060809|0.052380|0.068555|0.074924|0.080897|0.082020|0.062591|0.062249|0.059189|0.048611|0.046997|0.049549|0.055527|0.063072|0.052488|0.085857|0.063329|0.062768|0.083664|0.301478|0.500000| |1.560077|1.729394|1.967488|2.057191|2.326548|2.558916|2.401860|2.105630|3.984905|3.300362|5.687257|5.052164|3.767384|0.087413|3.689581|2.910047|2.677718|2.240607|2.558340|4.535908|6.616791|6.336553|29.309795|3.824633|4.088019|2.588536|2.236406|2.275816|2.687421|7.316512|12.451674|0.182423|17.615543|8.754598|6.874805|0.043310|0.040293|0.042928|0.047192|0.047698|0.053289|0.065344|0.069415|0.055319|0.081140|0.094759|0.099880|0.119735|0.078569|0.072466|0.080594|0.057753|0.058525|0.061858|0.065225|0.079423|0.065366|0.072700|0.055758|0.057284|0.078186|0.216086|0.146353|0.500000| |1.734662|1.955498|2.246393|2.306866|2.599036|2.935103|2.827953|2.456899|4.499259|3.563179|6.012177|5.197892|3.529964|0.082701|3.309671|2.725387|2.470889|2.130924|2.283545|4.000827|5.542675|4.989946|24.460238|3.319295|3.651020|2.416990|2.082496|2.059105|2.361014|5.637318|12.349700|0.217165|17.630183|8.787306|7.345818|0.048287|0.044614|0.047170|0.052962|0.054547|0.058760|0.071038|0.083090|0.064873|0.092220|0.098383|0.085640|0.105709|0.076623|0.068076|0.074195|0.054997|0.055399|0.060275|0.058728|0.068566|0.058595|0.069914|0.052786|0.051864|0.066649|0.145027|0.126801|0.300854|0.500000| |2.063223|2.347855|2.835416|3.034869|3.679189|4.335006|3.836348|3.114553|7.352922|6.457198|10.336870|9.403744|5.626627|0.123468|4.558900|3.575803|2.976218|2.528616|2.652493|6.323090|8.899876|6.102365|29.798266|4.572989|4.821123|3.225054|2.646298|2.530125|2.922114|5.284425|9.043970|0.205813|8.860035|17.572656|4.614256|0.057291|0.051929|0.056846|0.063210|0.063821|0.075479|0.101992|0.110256|0.078443|0.143704|0.158842|0.110395|0.140750|0.102827|0.089077|0.086839|0.065843|0.063461|0.072226|0.069119|0.078701|0.065760|0.096767|0.066313|0.061983|0.079515|0.122765|0.122252|0.173429|0.219988|0.500000| |1.794820|1.983614|2.335116|2.471159|2.930077|3.396652|3.085329|2.558378|5.825117|5.047003|7.872149|8.944345|6.123163|0.126469|5.895146|4.286999|3.657741|2.946586|3.233960|6.546901|8.838391|5.816616|29.040610|4.595580|4.855742|3.094663|2.605939|2.595556|3.068215|4.933389|7.631374|0.146887|8.987949|17.607046|4.143086|0.050326|0.045570|0.049696|0.053246|0.054019|0.062490|0.082215|0.090806|0.065903|0.122076|0.165369|0.140434|0.213568|0.119150|0.100841|0.111636|0.074546|0.074147|0.082921|0.081130|0.098688|0.079561|0.088233|0.064551|0.064174|0.086593|0.126549|0.109278|0.218980|0.207346|0.305458|0.500000| |1.555034|1.760350|1.943535|2.025929|2.186767|2.272961|2.164561|2.005061|3.244651|2.597616|4.829342|3.525802|2.574556|0.064886|2.353308|1.994929|1.827453|1.614781|1.775486|3.090258|3.966483|4.687891|25.491870|2.949810|3.337504|2.240931|1.957664|1.935612|2.190112|7.148494|12.312641|0.221781|5.578937|4.157543|17.645145|0.042251|0.040762|0.042480|0.049387|0.049033|0.053825|0.061298|0.060206|0.052952|0.063410|0.065524|0.064649|0.069314|0.054704|0.052451|0.052717|0.042977|0.042431|0.044847|0.047220|0.053359|0.046009|0.064644|0.050023|0.049130|0.061728|0.182584|0.217657|0.142434|0.146784|0.109659|0.096855|0.500000| |1.633228|1.856997|2.068239|2.112837|2.287452|2.456687|2.395927|2.192688|3.527794|2.752127|4.926553|3.769159|2.646131|0.065473|2.447400|2.087164|1.917800|1.698208|1.825355|3.056959|3.963064|4.195999|22.184681|2.773217|3.145187|2.124964|1.857644|1.829799|2.061307|5.600977|12.321661|0.225115|6.991155|4.715645|17.649196|0.044824|0.042628|0.044193|0.051317|0.052304|0.055064|0.062714|0.068195|0.058493|0.070274|0.071130|0.065615|0.073919|0.058160|0.053981|0.056194|0.044697|0.044634|0.047699|0.047973|0.054479|0.047434|0.061649|0.047657|0.046520|0.057987|0.145178|0.145298|0.166475|0.221950|0.127691|0.111308|0.299285|0.500000| 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