Version2.0 2020-04-08T01:00:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccccc1C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@H](C)Oc4ccc(cc4)OC C39665690 RHF 6-31G(d) (6D,7F) CCOc1ccccc1C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@H](C)Oc4ccc(cc4)OC C01[X(C28H38N3O5)] 216 C1 616 CCOc1ccccc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H](Oc1ccc(cc1)OC)C CCOc1ccccc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H](Oc1ccc(cc1)OC)C CCOc1ccccc1C(=O)N2C[C@H](C(=O)NC[C@H](C)Oc3ccc(OC)cc3)C4(CC[NH2+]CC4)C2 InChIKey=RLPNIRMPEFAIKB-GBXCKJPGSA-O InChI=1S/C28H37N3O5/c1-4-35-25-8-6-5-7-23(25)27(33)31-18-24(28(19-31)13-15-29-16-14-28)26(32)30-17-20(2)36-22-11-9-21(34-3)10-12-22/h5-12,20,24,29H,4,13-19H2,1-3H3,(H,30,32)/p+1/t20-,24+/m0/s1 InChI=1/C28H37N3O5/c1-4-35-25-8-6-5-7-23(25)27(33)31-18-24(28(19-31)13-15-29-16-14-28)26(32)30-17-20(2)36-22-11-9-21(34-3)10-12-22/h5-12,20,24,29H,4,13-19H2,1-3H3,(H,30,32)/p+1/t20-,24+/m0/s1/fC28H38N3O5/h29-30H/q+1 CCOc1ccccc1C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@H](C)Oc4ccc(cc4)OC C01[X(C28H38N3O5)] 216 C01 616 CCOc1ccccc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H](Oc1ccc(cc1)OC)C CCOc1ccccc1C(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)C(=O)NC[C@@H](Oc1ccc(cc1)OC)C CCOc1ccccc1C(=O)N2C[C@H](C(=O)NC[C@H](C)Oc3ccc(OC)cc3)C4(CC[NH2]CC4)C2 InChIKey=ZOJQHOOSNWTKNH-GBXCKJPGSA-N InChI=1S/C28H38N3O5/c1-4-35-25-8-6-5-7-23(25)27(33)31-18-24(28(19-31)13-15-29-16-14-28)26(32)30-17-20(2)36-22-11-9-21(34-3)10-12-22/h5-12,20,24H,4,13-19,29H2,1-3H3,(H,30,32)/t20-,24+/m0/s1 InChI=1/C28H38N3O5/c1-4-35-25-8-6-5-7-23(25)27(33)31-18-24(28(19-31)13-15-29-16-14-28)26(32)30-17-20(2)36-22-11-9-21(34-3)10-12-22/h5-12,20,24H,4,13-19,29H2,1-3H3,(H,30,32)/t20-,24+/m0/s1/f/h30H 4150.6603223332 -1619.9213098 1-A 21315.2086 133 483 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.68933 -20.68865 -20.66360 -20.62314 -20.59429 -15.83748 -15.68815 -15.66580 -11.44890 -11.43594 -11.42891 -11.42154 -11.40768 -11.40721 -11.39403 -11.37627 -11.37474 -11.37339 -11.37083 -11.36076 -11.35974 -11.35662 -11.35437 -11.35316 -11.35177 -11.34997 -11.34872 -11.34870 -11.34647 -11.31029 -11.30699 -11.30530 -11.30512 -11.29557 -11.29142 -11.28870 -1.51921 -1.51790 -1.49296 -1.49240 -1.47650 -1.46566 -1.35000 -1.33792 -1.26673 -1.24178 -1.22355 -1.19528 -1.17296 -1.14751 -1.14147 -1.12441 -1.11441 -1.10507 -1.08625 -1.06302 -1.04970 -1.04287 -1.02686 -1.01934 -0.98073 -0.96720 -0.94946 -0.94122 -0.92926 -0.91716 -0.89964 -0.89644 -0.89012 -0.87547 -0.85447 -0.84016 -0.83624 -0.81289 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2224.44 2231.20 2240.80 2243.55 2251.41 2256.87 2260.45 2265.74 2272.11 2279.60 2295.17 2335.19 2339.20 2340.74 2345.07 2348.43 2353.09 2359.84 2363.35 2367.81 2373.26 2374.54 2384.58 2388.47 2398.13 2412.49 2423.59 2432.70 2438.06 2471.54 2550.46 2564.93 2602.73 2620.19 2623.83 2759.76 2799.40 4584.99 4620.93 4622.32 4624.83 4628.25 4633.58 4636.42 4659.11 4680.43 4685.67 4694.35 4703.33 4710.93 4720.97 4723.09 4725.48 4728.66 4732.28 4736.65 4741.91 4755.97 4773.18 4798.94 4808.60 4813.07 4817.94 4834.87 4852.91 4866.18 4871.80 4878.74 4889.74 4892.97 4905.90 4917.75 5215.05 5354.36 5586.56 0.687746 0.720557 0.721501 0.619871 -1619.233563 -1619.200753 -1619.199809 -1619.301439 3.408687D-04 MUNgauss RevisionA2.0 retrievium 08-Apr-2020 DUDE CCOc1ccccc1C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@H](C)Oc4ccc(cc4)OC C39665690 RHF 6-31G(d) (6D,10F) C1 496.281147 |X|Y|Z| 56.360899 43.061857 127.609951 67.657883 28 6 7 8 24 3 1 |36.858105| |12.578647|36.858105| |8.053208|13.484420|73.516695| |5.217800|7.954930|25.081570|36.858105| |4.413686|6.731253|14.029811|13.723828|36.858105| |3.345462|4.519360|9.247493|7.926804|13.738524|36.858105| |2.970590|3.780820|8.179572|6.823305|7.908333|13.787622|36.858105| |3.187700|3.972050|9.375748|7.922958|6.896246|8.001392|13.765631|36.858105| |4.062888|5.217809|14.464577|13.630165|7.916910|6.877647|7.889948|13.735206|36.858105| |3.915285|4.484039|11.922973|7.452575|4.998477|4.463062|5.072731|7.741886|12.687590|36.858105| |3.369661|3.718875|8.998952|5.477803|4.099153|3.844125|4.467360|6.492716|8.075558|15.833276|73.516695| |4.087525|4.387224|11.157736|6.026606|4.257710|3.730061|4.027000|5.426458|7.735915|14.013301|15.237591|53.358707| |4.256786|4.582413|10.995516|5.804970|4.319850|3.720369|3.840953|4.774363|6.385998|7.529573|9.420768|17.774807|36.858105| |3.618116|3.586802|7.726388|3.984410|3.215205|2.866197|2.961547|3.527629|4.288388|5.180002|7.510595|11.047918|12.410312|36.858105| |3.024174|3.061502|6.508546|3.538479|2.945708|2.720843|2.879299|3.421807|3.941277|4.707204|7.088716|9.203442|8.864890|17.530071|0.500000| |3.591456|3.402310|7.309871|3.657944|2.923004|2.606942|2.711331|3.266004|3.992097|5.258858|8.220244|11.079056|7.796765|12.203242|0.246992|36.858105| |3.484689|3.487139|7.972429|4.192474|3.235633|2.926610|3.158183|4.029227|5.022634|7.887255|12.675338|17.946975|7.884955|8.034349|0.197228|12.394520|36.858105| |4.399367|3.813019|7.830663|3.628565|2.906328|2.517327|2.532853|2.969892|3.693870|4.602532|7.296383|8.548567|6.101959|7.392737|0.152400|12.324309|7.521243|36.858105| |3.738142|3.216790|6.399072|3.049351|2.509955|2.215686|2.243759|2.605345|3.134801|3.890918|6.690466|6.454941|4.252815|4.831053|0.113028|7.442528|6.003029|12.503676|36.858105| |2.928825|2.601506|5.101695|2.537812|2.149324|1.944455|1.989332|2.285389|2.648797|3.226563|5.651475|5.283971|3.605213|4.363157|0.108994|6.465796|5.055873|7.696888|12.664788|53.358707| |2.676511|2.382180|4.612330|2.315505|1.985944|1.809464|1.851577|2.110132|2.412291|2.899206|5.198428|4.555117|3.072878|3.562243|0.091065|4.905755|4.224078|5.678846|9.168571|25.703362|0.500000| |2.871076|2.522070|4.843720|2.402824|2.060559|1.861648|1.887327|2.139594|2.466373|2.919193|5.014335|4.785997|3.438180|4.262938|0.106293|5.822747|4.338595|7.075431|9.197206|25.581044|0.328607|0.500000| |2.641653|2.449213|4.926344|2.535128|2.145653|1.975530|2.062732|2.401001|2.738825|3.415560|6.048353|5.698373|3.824894|4.838775|0.128942|7.442731|5.940127|6.488768|7.631479|17.290844|0.255285|0.255289|36.858105| |2.841205|2.679651|5.490059|2.837523|2.376085|2.179510|2.280385|2.677481|3.087652|3.867665|6.487974|6.991279|5.005615|7.436312|0.201307|12.394571|7.421944|7.572935|6.502091|10.495606|0.157939|0.196430|12.498564|36.858105| |3.636792|3.464422|6.885602|3.457866|2.926343|2.587581|2.582371|2.924195|3.465076|3.839391|5.753488|7.059969|7.458929|12.498788|0.246245|7.368129|5.051624|6.419664|4.330906|5.468451|0.092085|0.117156|4.138622|5.838397|36.858105| |4.364019|3.988549|7.557285|3.617674|3.080762|2.648261|2.565250|2.850435|3.430483|3.662224|5.466635|6.436234|6.584949|8.002769|0.164077|5.936659|4.391334|6.293917|4.264854|5.128615|0.087915|0.110932|3.631354|4.650676|15.861438|73.516695| |2.915920|2.793456|5.417643|2.815567|2.468357|2.246726|2.261917|2.518035|2.859113|3.132254|4.877463|5.437029|5.163671|7.825074|0.210296|5.624580|4.092863|4.828845|3.662193|5.005518|0.085867|0.110318|3.911503|5.455462|14.089207|15.076276|53.358707| |2.678627|2.517512|4.689782|2.425881|2.182864|1.991549|1.976581|2.150102|2.407597|2.573908|4.086916|4.255963|3.832111|5.013832|0.133532|4.149219|3.189817|3.949498|3.194195|4.440418|0.078276|0.101140|3.315155|4.186281|7.750213|12.067504|17.914796|36.858105| |2.445862|2.253005|4.176304|2.150062|1.933898|1.772534|1.768205|1.927743|2.149044|2.336160|3.803552|3.811083|3.224612|4.179077|0.111979|3.894203|2.982628|3.833876|3.296713|4.859854|0.086244|0.116095|3.562736|4.273217|5.590864|9.035111|10.499161|12.471329|36.858105| |2.236012|2.090418|3.927428|2.052183|1.846143|1.711889|1.728004|1.892160|2.086852|2.290402|3.769868|3.725654|3.092059|4.051362|0.113919|3.839251|2.979889|3.597152|3.170028|4.843887|0.086480|0.114135|3.729749|4.494809|4.999230|7.662156|9.594813|8.915885|17.546172|0.500000| |2.200884|2.021998|3.662236|1.893286|1.735471|1.597840|1.580760|1.696351|1.869731|1.993590|3.275540|3.154910|2.623356|3.178047|0.085350|3.003799|2.425386|3.053828|2.736847|3.988047|0.073435|0.094221|2.852590|3.216847|4.039474|7.035035|6.795787|7.536165|12.525078|0.246227|36.858105| |2.754930|2.460513|4.564435|2.293060|2.028400|1.834299|1.825303|2.010160|2.282659|2.527926|4.125497|4.177020|3.458106|4.532756|0.114682|4.584065|3.346547|4.879938|4.198017|6.269918|0.107843|0.160411|4.291646|5.026757|5.951853|10.057670|9.312438|8.108961|13.417814|0.257671|7.849579|73.516695| |2.516490|2.235909|4.145460|2.090320|1.852884|1.686589|1.687475|1.860324|2.097771|2.347332|3.923697|3.801454|2.992010|3.783387|0.097648|4.151246|3.138405|4.518554|4.343945|7.120559|0.125982|0.198139|4.642784|4.856995|4.420198|7.515840|6.539123|5.226591|7.836181|0.198372|6.157466|24.985596|36.858105| |2.644611|2.284668|4.163460|2.067328|1.833866|1.656204|1.643655|1.805189|2.047790|2.282275|3.843227|3.630069|2.793529|3.357901|0.084700|3.792816|2.966987|4.502668|4.652599|7.366434|0.136495|0.209365|4.283778|4.160882|3.812361|6.884078|5.227094|4.086559|5.289318|0.131541|4.745536|14.489610|13.638754|36.858105| |2.356981|2.053622|3.743852|1.878099|1.675761|1.526188|1.521812|1.668389|1.873680|2.092679|3.596252|3.254530|2.429703|2.840051|0.073087|3.271424|2.687536|3.801193|4.271578|7.098474|0.145295|0.191293|4.071503|3.654965|3.063569|5.466597|4.187325|3.195932|3.972571|0.105088|3.721687|9.374858|7.895643|13.811088|36.858105| |2.069130|1.847194|3.407581|1.740367|1.559143|1.437505|1.447482|1.588699|1.761755|1.976220|3.435320|3.055084|2.258840|2.654324|0.070268|3.056660|2.560303|3.338375|3.756938|6.627872|0.140593|0.169236|4.131549|3.593037|2.793822|4.828617|3.922601|2.963020|3.717108|0.104290|3.477807|8.151758|6.793548|7.899739|13.641960|36.858105| |2.006088|1.820772|3.396347|1.753074|1.570002|1.456403|1.476128|1.624653|1.792014|2.016390|3.489512|3.152503|2.358162|2.847668|0.077064|3.232559|2.665435|3.344400|3.589516|6.451157|0.129319|0.163494|4.447578|4.008954|3.007050|5.031654|4.392732|3.322263|4.352303|0.129674|3.940492|9.192189|7.890803|6.888642|7.960372|13.760525|36.858105| |2.178739|1.979730|3.708059|1.907768|1.700794|1.570739|1.589279|1.753490|1.946551|2.189348|3.721534|3.499796|2.694491|3.383782|0.091422|3.747997|2.946363|3.806872|3.818230|6.673207|0.123255|0.175126|4.747232|4.731647|3.720840|6.092515|5.670761|4.379736|6.338050|0.194688|5.238612|13.948482|13.774876|7.966469|6.889006|7.892219|13.652278|36.858105| |1.884994|1.692029|3.110075|1.598999|1.441996|1.336833|1.347799|1.473167|1.620698|1.809923|3.186546|2.743699|1.998071|2.286787|0.060947|2.625110|2.285773|2.849780|3.276349|5.585062|0.125641|0.130827|3.543405|3.020336|2.358920|4.102348|3.274392|2.450858|2.948200|0.083034|2.822455|6.166294|4.595647|5.289936|8.192310|14.172884|7.865721|5.182187|73.516695| |1.671236|1.524432|2.811679|1.464864|1.330076|1.244906|1.261604|1.374620|1.494833|1.662665|2.944906|2.498728|1.816811|2.069116|0.056153|2.338524|2.076605|2.452212|2.757923|4.632733|0.103093|0.104195|3.147504|2.715174|2.114693|3.635899|2.976851|2.225558|2.653464|0.076589|2.567002|5.292948|3.770823|3.983021|5.259950|8.001040|6.668424|4.484835|24.087579|36.858105| |17.568469|8.856977|12.823796|4.847146|4.030950|3.138283|2.848263|3.099923|3.952797|3.946888|5.937769|5.995220|4.869198|4.254405|0.095561|4.139368|3.790548|5.267591|4.174577|4.421512|0.080636|0.089943|2.908142|3.205715|4.466540|10.166425|4.693611|3.151662|2.836993|0.070886|2.514181|5.766964|2.889633|3.020169|2.616159|2.269013|2.212273|2.446137|3.613210|1.789005|0.500000| |17.563561|8.865439|12.951803|4.876379|4.023713|3.141916|2.866653|3.136948|4.004929|4.044121|6.390619|5.643836|4.030233|3.492597|0.081562|3.673586|3.648040|4.645972|4.167420|4.289807|0.080859|0.084175|2.788737|2.913669|3.392325|6.962931|3.747412|2.516844|2.354107|0.060405|2.112420|4.781931|2.518310|2.686537|2.436989|2.138038|2.050393|2.196432|3.489606|1.732345|0.299377|0.500000| |17.563438|8.892621|10.233214|4.233269|3.862283|3.016504|2.653160|2.768453|3.372146|3.214199|5.051053|4.520984|3.485660|3.073237|0.073062|3.035931|2.918398|3.657917|3.228584|3.561266|0.067402|0.072230|2.351924|2.498661|3.179704|6.779042|3.588177|2.494276|2.297250|0.058102|2.115293|4.559525|2.357992|2.504700|2.247989|1.967070|1.893894|2.043255|3.207440|1.601702|0.300981|0.300884|0.500000| |8.867402|17.568692|16.505610|7.074765|6.864073|4.634091|3.752047|3.792375|4.748605|3.980576|5.853075|5.428755|4.451953|3.508514|0.084121|3.179617|3.185199|3.464018|2.888708|3.274914|0.061073|0.065713|2.291879|2.545685|3.510445|7.293516|3.883517|2.596834|2.278254|0.058403|2.058988|4.340574|2.186108|2.208054|1.969467|1.776612|1.764761|1.933903|2.883529|1.468186|0.213504|0.173607|0.212447|0.500000| |8.844969|17.570139|16.535631|7.099177|6.810688|4.637265|3.781186|3.839550|4.801122|4.047210|6.238341|5.126599|3.762540|3.029643|0.073798|2.938014|3.080030|3.250813|2.871855|3.206998|0.060930|0.063132|2.222670|2.381742|2.902854|5.782414|3.286414|2.202224|2.000898|0.052007|1.818085|3.862264|2.006754|2.062502|1.885300|1.707654|1.675281|1.798931|2.813289|1.433334|0.173320|0.211638|0.213487|0.300768|0.500000| |4.718632|7.518648|12.576780|8.883351|17.777864|8.961247|5.652565|4.969274|5.628234|4.058215|6.099475|4.960934|3.796419|2.944002|0.074467|2.688274|2.878141|2.745714|2.387097|2.785790|0.052745|0.055024|2.013286|2.212782|2.782201|5.337573|3.214371|2.130677|1.890430|0.049728|1.716659|3.525268|1.809943|1.805704|1.648458|1.524120|1.526070|1.651051|2.509056|1.298911|0.116276|0.115232|0.119235|0.233356|0.226241|0.500000| |2.994255|3.927928|7.469697|5.652735|8.959872|17.720836|8.925912|5.669840|4.954775|3.565223|5.637471|4.208217|3.130605|2.507104|0.066629|2.287336|2.515581|2.226359|1.982611|2.395022|0.045764|0.047101|1.781204|1.950845|2.318017|4.237748|2.786380|1.844209|1.646807|0.044166|1.501546|3.009160|1.560325|1.535019|1.419495|1.339127|1.355109|1.456799|2.222389|1.168053|0.077913|0.077802|0.077229|0.114840|0.114519|0.217864|0.500000| |2.546385|3.127522|6.495344|4.927861|5.629526|8.901774|17.739023|8.908405|5.625918|4.142177|6.822219|4.634937|3.262338|2.624438|0.072238|2.417665|2.791113|2.246925|2.020073|2.478579|0.047395|0.048097|1.900030|2.085218|2.312064|4.050605|2.815142|1.823448|1.641008|0.044822|1.476741|2.987725|1.562117|1.517838|1.413762|1.354130|1.384312|1.483983|2.251922|1.193412|0.068222|0.068653|0.064289|0.086902|0.087568|0.124311|0.214227|0.500000| |2.798518|3.323197|7.592766|5.651796|4.965763|5.671134|8.917327|17.732034|8.976491|7.304174|12.334412|7.081435|4.404392|3.420219|0.095040|3.229085|4.098562|2.857666|2.551172|3.102006|0.058699|0.058864|2.444029|2.710788|2.788302|4.725864|3.330682|2.082050|1.884842|0.051979|1.654425|3.482141|1.827854|1.763355|1.641107|1.578900|1.623318|1.744622|2.611097|1.379049|0.076547|0.077673|0.068161|0.088013|0.089276|0.107832|0.124351|0.214458|0.500000| |5.414022|5.876877|14.139794|6.582762|4.815322|3.891127|3.788918|4.492067|6.188339|6.467190|8.309386|12.320197|17.697824|8.798310|0.175936|6.410969|6.068065|6.090166|4.198330|4.691265|0.082294|0.092861|3.461921|4.312447|7.269585|13.662058|6.632138|3.818591|3.190406|0.082633|2.645186|6.161639|2.970902|2.838490|2.446726|2.230711|2.292041|2.611922|3.509868|1.780349|0.180329|0.134946|0.118622|0.160356|0.125219|0.121069|0.091216|0.088240|0.110250|0.500000| |3.679512|4.141711|9.612108|5.706130|4.497280|4.046775|4.276874|5.271885|6.509024|6.733914|8.651332|12.274752|17.591838|8.760497|0.225921|5.709533|6.040999|4.555494|3.443391|4.144365|0.073710|0.081400|3.283506|4.205664|6.205658|9.683987|6.492455|3.602595|2.982274|0.080390|2.467299|5.462864|2.665254|2.468650|2.169761|2.043565|2.149159|2.445257|3.239949|1.678325|0.113142|0.095546|0.086444|0.116534|0.097108|0.107613|0.094226|0.101138|0.134937|0.301548|0.500000| |2.928635|2.981458|6.632501|3.674912|2.948967|2.765104|3.063252|3.902982|4.519697|6.684724|11.675125|12.330382|6.413485|6.846804|0.199574|8.752287|17.494891|5.502843|4.773405|6.070937|0.106666|0.107787|5.699719|7.127636|4.469729|6.728969|5.274553|3.025626|2.844471|0.080975|2.321347|5.502019|2.929544|2.716832|2.495493|2.439199|2.586547|2.843903|3.900646|2.030311|0.087362|0.084185|0.069889|0.077268|0.074635|0.072652|0.066599|0.076891|0.115678|0.136088|0.154862|0.500000| |3.474079|3.414213|7.690499|3.981312|3.093258|2.794661|3.001560|3.794378|4.694408|7.338127|13.769221|12.487358|5.802614|5.692631|0.141415|8.598475|17.639445|7.077561|6.726923|7.293792|0.128779|0.121612|5.969370|6.219910|4.114073|6.704964|4.668455|2.803258|2.693924|0.074553|2.240821|5.449601|2.971194|2.900363|2.695650|2.565576|2.611997|2.804399|4.138949|2.106554|0.102058|0.105178|0.081017|0.084504|0.085682|0.077018|0.067081|0.074030|0.107525|0.138622|0.129909|0.303682|0.500000| |5.732810|4.821077|10.190480|4.377829|3.380053|2.833453|2.804284|3.302678|4.294932|5.291499|8.056981|9.629354|6.725237|6.699118|0.137483|8.771827|7.121438|17.604460|8.983314|7.628832|0.127009|0.144001|4.882466|5.509519|5.824811|11.082996|5.806703|3.556653|3.337285|0.086179|2.753428|7.219198|3.717180|3.792761|3.270333|2.868837|2.835232|3.165324|4.467208|2.184141|0.194257|0.171654|0.124192|0.116778|0.110550|0.088702|0.068803|0.067884|0.086016|0.205678|0.135340|0.141574|0.192633|0.500000| |4.300593|3.626172|7.049620|3.279302|2.711762|2.351807|2.332403|2.664980|3.240726|3.800592|6.011805|6.759778|5.375479|6.859861|0.143277|8.757302|5.504049|17.607383|8.938198|9.413446|0.144799|0.207105|5.646119|6.711345|7.404255|13.863616|7.567910|4.712763|4.631801|0.115300|3.607656|11.340303|5.570604|5.550242|4.319425|3.641176|3.648194|4.321670|5.358192|2.555957|0.149492|0.121101|0.102464|0.094326|0.085447|0.072553|0.058550|0.057889|0.070831|0.156180|0.116396|0.122801|0.141104|0.305137|0.500000| |3.589891|3.186220|6.490901|3.144777|2.566295|2.281211|2.338849|2.753319|3.312790|4.254206|7.677339|6.752177|4.108226|4.393063|0.105925|6.621852|6.487416|8.701819|17.636287|12.432362|0.223768|0.180931|6.994362|5.726839|3.751410|6.501815|4.359288|2.781141|2.825926|0.076708|2.387279|6.097231|3.532389|3.717765|3.554018|3.253777|3.126853|3.244569|5.244243|2.549406|0.106688|0.114036|0.085721|0.078258|0.080570|0.067028|0.056397|0.058486|0.075655|0.110525|0.093643|0.142834|0.234601|0.212750|0.173237|0.500000| |3.899064|3.209310|6.108072|2.867246|2.402614|2.107597|2.100731|2.391609|2.857377|3.393389|5.830796|5.385567|3.673230|4.025279|0.095056|5.444566|4.587554|8.796968|17.628136|12.383603|0.223560|0.224178|5.598161|4.890762|3.851223|7.088974|4.494377|3.005427|3.137867|0.082238|2.689369|7.167415|4.252554|4.938246|4.621682|3.851165|3.501083|3.641358|6.043816|2.792733|0.120150|0.123250|0.095523|0.079735|0.080259|0.064586|0.052871|0.052651|0.064391|0.104896|0.084466|0.105154|0.140675|0.212117|0.218285|0.301504|0.500000| |2.588700|2.437125|4.972509|2.591975|2.182518|2.023485|2.138287|2.518764|2.859201|3.660452|6.760782|5.914236|3.726283|4.409753|0.119011|6.646308|6.435231|5.727961|7.002659|12.436905|0.223530|0.180702|17.618436|8.736919|3.629945|5.755263|4.587360|2.862445|2.989922|0.086403|2.463661|6.189367|3.687168|3.519228|3.432662|3.484265|3.643652|3.758449|5.575461|2.844308|0.077480|0.076960|0.063765|0.062699|0.062139|0.056396|0.050475|0.054798|0.072173|0.092799|0.089636|0.177578|0.197238|0.128806|0.131686|0.211637|0.143933|0.500000| |2.320392|2.160617|4.269772|2.225480|1.921230|1.787865|1.865619|2.139713|2.389496|2.891101|5.148100|4.671972|3.228559|4.032462|0.111551|5.444431|4.542453|4.881824|5.594920|12.397888|0.223990|0.223506|17.632732|8.777087|3.628665|5.684110|4.924268|3.176916|3.544896|0.106504|2.878503|7.410832|4.746654|4.263595|4.219012|4.610077|5.236207|5.341429|7.023456|3.596412|0.070503|0.067469|0.058373|0.056785|0.054959|0.050382|0.045208|0.048238|0.060765|0.081995|0.079467|0.127030|0.125598|0.107655|0.127099|0.143866|0.126781|0.300874|0.500000| |2.753566|2.564711|5.109648|2.626166|2.239902|2.051336|2.117138|2.432880|2.781339|3.326546|5.502974|5.857373|4.537215|6.920997|0.186692|8.829005|5.469624|6.755922|5.678084|9.460616|0.145228|0.207913|8.940831|17.575384|6.517665|9.011279|9.150064|5.185413|5.585828|0.166556|3.918454|12.055610|6.338000|4.917612|4.100230|4.017119|4.684240|6.079903|5.759236|2.889534|0.087614|0.077148|0.068264|0.068758|0.063110|0.058721|0.051503|0.053993|0.067675|0.112985|0.108249|0.145043|0.130912|0.138480|0.194860|0.132030|0.127808|0.173516|0.217297|0.500000| |2.549591|2.472795|5.096976|2.723742|2.305852|2.157328|2.296058|2.705972|3.036957|3.793862|6.458924|6.674173|4.737487|6.737002|0.214716|8.780722|6.953246|5.499033|4.884741|7.638622|0.127165|0.143940|8.987274|17.559757|5.115991|7.161069|6.880042|3.862691|3.860817|0.116948|2.965314|7.480775|4.046963|3.453675|3.115309|3.155343|3.583183|4.145828|4.835621|2.522725|0.078520|0.072126|0.062744|0.065853|0.061691|0.059149|0.053708|0.058916|0.077679|0.109662|0.116792|0.220365|0.157780|0.123205|0.137646|0.128619|0.107721|0.213554|0.212251|0.303160|0.500000| |2.626072|2.560206|5.038639|2.683101|2.358911|2.186405|2.240282|2.509907|2.798365|3.104110|4.899252|5.358099|4.903987|7.493417|0.240687|5.520003|4.154284|4.394172|3.465055|4.883489|0.084383|0.105599|4.034784|5.799049|9.395349|10.871651|26.080320|9.034391|6.637475|0.195153|4.469094|10.218173|4.414139|3.499969|2.900222|2.803799|3.209964|4.108473|4.195854|2.181097|0.084142|0.069823|0.065995|0.072154|0.062338|0.062028|0.055336|0.057410|0.068925|0.121760|0.130316|0.114448|0.095578|0.107097|0.132510|0.086074|0.085397|0.097002|0.105508|0.196669|0.161238|0.500000| |2.943497|2.725657|4.958470|2.522767|2.281860|2.053421|2.004904|2.161250|2.442402|2.566021|4.041135|4.202799|3.826230|4.717768|0.119431|3.920845|3.061472|3.956559|3.168719|4.248631|0.075396|0.096542|3.058161|3.744991|7.525599|14.192895|12.645914|17.662999|8.866620|0.174565|6.895527|13.010989|4.827082|4.057165|3.143226|2.826625|3.053579|3.883300|4.195699|2.120686|0.097993|0.075400|0.076851|0.079073|0.065610|0.062687|0.052962|0.051079|0.057364|0.111084|0.099079|0.078985|0.075648|0.102196|0.134313|0.076366|0.084765|0.074388|0.080267|0.123545|0.094420|0.180280|0.500000| |2.391831|2.294243|4.259846|2.250557|2.060438|1.907166|1.897419|2.041137|2.242180|2.360752|3.770545|3.818125|3.405691|4.248447|0.118947|3.504317|2.830015|3.271213|2.724812|3.803378|0.068409|0.085053|2.889447|3.570100|5.889932|9.287489|12.474419|17.577203|8.889575|0.214479|6.918824|10.281685|4.225679|3.398650|2.772678|2.631643|2.963959|3.783496|3.948359|2.056521|0.076556|0.062329|0.062470|0.066380|0.056378|0.055915|0.049459|0.049073|0.055134|0.093365|0.092429|0.076221|0.069408|0.083589|0.103871|0.067463|0.071449|0.070704|0.078151|0.118344|0.095368|0.218887|0.301806|0.500000| |2.026084|1.893640|3.433097|1.799566|1.665893|1.547856|1.534209|1.635721|1.782602|1.883060|3.096741|2.952343|2.461789|2.938277|0.080740|2.719807|2.248084|2.696759|2.418889|3.502848|0.065061|0.080731|2.563799|2.902582|3.663856|6.289564|6.274924|6.832851|8.839912|0.212921|17.562548|10.074714|4.676832|3.752647|3.100400|2.980033|3.388379|4.307736|4.430830|2.323482|0.063608|0.053808|0.054245|0.053975|0.047542|0.045757|0.040600|0.040041|0.044424|0.068491|0.065602|0.060553|0.057505|0.068496|0.086088|0.059688|0.065591|0.062480|0.072169|0.096114|0.076383|0.118772|0.169123|0.205741|0.500000| |2.056788|1.881017|3.405793|1.762015|1.615805|1.492709|1.481388|1.590855|1.747503|1.874138|3.116583|2.939601|2.385470|2.862568|0.077169|2.807296|2.292016|2.881680|2.677115|3.998937|0.074875|0.095558|2.832174|3.077687|3.472389|6.039084|5.609734|5.485611|8.811816|0.211785|17.580149|12.487654|6.624846|5.130968|4.140957|3.956413|4.546857|5.977678|5.632428|2.887626|0.064534|0.055530|0.055104|0.052713|0.047393|0.044379|0.039023|0.038566|0.043300|0.066505|0.062122|0.061182|0.059654|0.071757|0.093385|0.064980|0.073711|0.067802|0.081086|0.103399|0.078764|0.106187|0.141000|0.141079|0.301891|0.500000| |2.334077|2.119011|3.773897|1.932389|1.779093|1.625058|1.590946|1.696984|1.880082|1.983463|3.242127|3.121543|2.610633|3.083910|0.080941|2.901280|2.358879|3.044501|2.711882|3.835916|0.070869|0.090204|2.675473|2.991401|3.983729|7.350096|6.313219|6.885876|8.848919|0.173577|17.571668|12.607157|5.520731|4.694898|3.638161|3.262420|3.511552|4.440177|4.775995|2.410398|0.074560|0.061639|0.063006|0.060298|0.052776|0.049331|0.042528|0.041145|0.045592|0.074773|0.067949|0.061896|0.060891|0.077725|0.101250|0.065551|0.075400|0.064895|0.073680|0.098727|0.075819|0.111395|0.206622|0.171139|0.300389|0.301078|0.500000| |2.961724|2.492802|4.459722|2.178260|1.933305|1.726622|1.694777|1.852496|2.119904|2.334979|3.889971|3.704906|2.886918|3.390371|0.083523|3.745783|2.945811|4.679132|4.659497|6.634949|0.122229|0.175620|3.834211|3.838267|3.950623|7.541186|5.213411|4.116477|4.990500|0.118288|4.592663|13.401036|8.939660|17.722152|8.907561|5.620689|4.960994|5.672067|7.588540|3.327919|0.095446|0.082953|0.078581|0.066979|0.062077|0.053335|0.044474|0.043248|0.049754|0.083656|0.070414|0.073646|0.080034|0.113219|0.167165|0.102817|0.143855|0.090101|0.102018|0.122567|0.088720|0.094179|0.119829|0.094225|0.101170|0.131381|0.135161|0.500000| |2.353236|2.029466|3.655619|1.826382|1.636983|1.487657|1.476076|1.610464|1.808082|2.004898|3.463219|3.069325|2.269626|2.578342|0.066041|2.958250|2.500750|3.504576|4.031065|6.291502|0.134107|0.157066|3.569307|3.184678|2.753351|5.012280|3.688226|2.802231|3.337260|0.087597|3.204996|7.568754|5.618753|8.905985|17.729803|8.943033|5.669996|4.961658|13.466440|4.882484|0.071655|0.068224|0.063040|0.053783|0.052177|0.044975|0.038545|0.038097|0.043864|0.064163|0.056411|0.064173|0.070750|0.086421|0.108448|0.095133|0.127131|0.086784|0.100611|0.095877|0.076305|0.070799|0.078112|0.068366|0.075680|0.097459|0.089429|0.213445|0.500000| |1.823147|1.676769|3.138326|1.639320|1.476200|1.381436|1.407895|1.546701|1.687940|1.895598|3.307963|2.932148|2.177386|2.601540|0.071840|2.921836|2.479236|2.931336|3.139071|5.547730|0.113594|0.131265|4.063626|3.646097|2.695287|4.468526|3.968436|2.973706|3.777072|0.116285|3.476777|7.444413|5.648651|4.963733|5.642302|8.886802|17.756865|8.953011|12.469213|7.348733|0.055293|0.051759|0.047881|0.045227|0.043130|0.039758|0.035795|0.036891|0.043214|0.058288|0.055809|0.068127|0.067585|0.070072|0.086553|0.078346|0.084100|0.095342|0.137522|0.114988|0.094300|0.082384|0.075360|0.075667|0.086257|0.110617|0.085505|0.107727|0.124254|0.500000| |2.061829|1.906970|3.596997|1.875836|1.678998|1.563317|1.591059|1.754586|1.929916|2.164712|3.673167|3.464195|2.693424|3.424205|0.095726|3.662918|2.908398|3.515305|3.414929|5.801097|0.106711|0.141949|4.484592|4.730850|3.750007|5.943905|6.024423|4.641441|6.777951|0.245322|5.396722|12.457376|8.891000|5.643898|4.962941|5.648545|8.955821|17.745463|7.455589|3.900994|0.064091|0.057309|0.053612|0.052119|0.048159|0.045087|0.040312|0.041442|0.048752|0.071451|0.068968|0.079759|0.075578|0.082119|0.108522|0.082655|0.088583|0.100186|0.142091|0.171698|0.121256|0.126657|0.108999|0.114777|0.129193|0.166561|0.120675|0.124263|0.107720|0.218824|0.500000| |1.660726|1.527011|2.844131|1.489962|1.348387|1.266920|1.292392|1.415147|1.534721|1.720703|3.066358|2.588618|1.866813|2.136876|0.058557|2.438591|2.179944|2.503617|2.829013|4.869700|0.109201|0.107112|3.434561|2.897111|2.148288|3.643041|3.030496|2.227357|2.634260|0.077441|2.490026|5.215324|3.667332|3.719327|4.661771|6.906220|6.636659|4.505608|16.401494|17.560575|0.049322|0.047906|0.043906|0.040781|0.039877|0.036378|0.032941|0.034008|0.039671|0.050292|0.047961|0.059864|0.061496|0.061529|0.071409|0.073480|0.077787|0.086564|0.112958|0.084715|0.075681|0.062488|0.058323|0.057304|0.063113|0.076707|0.064303|0.086482|0.117459|0.225107|0.112263|0.500000| 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