Version2.0 2020-04-15T09:19:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Mar-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H](c1nnnn1Cc2ccccc2)[NH+](Cc3ccco3)Cc4cc5c(ccc(c5[nH]c4=O)C)C C13065232 RHF 6-31G(d) (6D,7F) CC[C@H](c1nnnn1Cc2ccccc2)[NH+](Cc3ccco3)Cc4cc5c(ccc(c5[nH]c4=O)C)C C01[X(C28H31N6O2)] 195 C1 602 CC[C@H](c1nnnn1Cc1ccccc1)[NH+](Cc1cc2c(C)ccc(c2[nH]c1=O)C)Cc1ccco1 CC[C@H](c1nnnn1Cc1ccccc1)[NH+](Cc1cc2c(C)ccc(c2[nH]c1=O)C)Cc1ccco1 CC[C@@H]([NH+](Cc1occc1)CC2=Cc3c(C)ccc(C)c3NC2=O)c4nnnn4Cc5ccccc5 InChIKey=XCPQBCQAPXRQJR-RUZDIDTESA-O InChI=1S/C28H30N6O2/c1-4-25(27-30-31-32-34(27)16-21-9-6-5-7-10-21)33(18-23-11-8-14-36-23)17-22-15-24-19(2)12-13-20(3)26(24)29-28(22)35/h5-15,25H,4,16-18H2,1-3H3,(H,29,35)/p+1/t25-/m1/s1 InChI=1/C28H30N6O2/c1-4-25(27-30-31-32-34(27)16-21-9-6-5-7-10-21)33(18-23-11-8-14-36-23)17-22-15-24-19(2)12-13-20(3)26(24)29-28(22)35/h5-15,25H,4,16-18H2,1-3H3,(H,29,35)/p+1/t25-/m1/s1/fC28H31N6O2/h29,33H/q+1 CC[C@H](c1nnnn1Cc2ccccc2)[NH+](Cc3ccco3)Cc4cc5c(ccc(c5[nH]c4=O)C)C C01[X(C28H31N6O2)] 195 C01 602 CC[C@H](c1nnnn1Cc1ccccc1)[NH+](Cc1cc2c(C)ccc(c2[nH]c1=O)C)Cc1ccco1 CC[C@H]([C@H]1NNNN1Cc1ccccc1)[NH](Cc1cc2c(C)ccc(c2[nH]c1=O)C)Cc1ccco1 CC[C@H]([C@H]1NNNN1Cc2ccccc2)[NH](Cc3occc3)CC4=Cc5c(C)ccc(C)c5NC4=O InChIKey=SZSXWTUJYKDDKR-VPUSJEBWSA-N InChI=1S/C28H35N6O2/c1-4-25(27-30-31-32-34(27)16-21-9-6-5-7-10-21)33(18-23-11-8-14-36-23)17-22-15-24-19(2)12-13-20(3)26(24)29-28(22)35/h5-15,25,27,30-33H,4,16-18H2,1-3H3,(H,29,35)/t25-,27+/m1/s1 InChI=1/C28H35N6O2/c1-4-25(27-30-31-32-34(27)16-21-9-6-5-7-10-21)33(18-23-11-8-14-36-23)17-22-15-24-19(2)12-13-20(3)26(24)29-28(22)35/h5-15,25,27,30-33H,4,16-18H2,1-3H3,(H,29,35)/t25-,27+/m1/s1/f/h29H 3906.7946020439 -1554.5479755 1-A 18558.2609 128 474 602 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4682.56 4690.99 4724.17 4741.24 4747.09 4755.37 4757.33 4784.72 4800.96 4803.78 4823.67 4837.05 4841.02 4855.07 4857.05 4871.58 4875.30 4880.91 4887.89 4894.56 4903.04 4945.54 4974.60 5019.37 5352.88 5549.55 0.602457 0.631732 0.632676 0.539849 -1553.945518 -1553.916244 -1553.915300 -1554.008126 3.113399D-04 MUNgauss RevisionA2.0 retrievium 15-Apr-2020 DUDE CC[C@H](c1nnnn1Cc2ccccc2)[NH+](Cc3ccco3)Cc4cc5c(ccc(c5[nH]c4=O)C)C C13065232 RHF 6-31G(d) (6D,10F) C1 483.250849 |X|Y|Z| 72.208436 108.640923 39.259417 67.531813 31 6 7 8 24 6 1 |36.858105| |12.451947|36.858105| |7.402199|12.400041|36.858105| |6.824177|8.891554|17.694741|0.500000| |4.889560|7.571840|12.696560|0.250519|36.858105| |4.099008|5.908387|7.644294|0.159500|14.717915|53.358707| |3.288114|4.423303|5.343538|0.126426|9.068319|19.444690|53.358707| |3.236825|4.302358|5.301515|0.135316|8.916040|12.185650|20.691521|53.358707| |3.955360|5.497308|7.557375|0.199911|14.299599|12.175076|12.439647|19.562193|53.358707| |3.688281|4.693902|5.957719|0.188660|7.433964|7.246960|7.461235|10.675033|17.652866|36.858105| |3.999504|4.983334|5.416046|0.172260|5.843451|5.990153|5.930920|7.547701|10.432895|12.589798|36.858105| |4.232634|4.765291|4.971895|0.170380|4.668540|4.904037|4.667049|5.524741|7.257900|7.580060|13.732854|36.858105| |3.993061|4.215485|3.992933|0.127761|3.702820|4.124050|3.935209|4.481348|5.468316|5.021998|7.913745|13.715036|36.858105| |3.623589|3.933747|3.568205|0.107067|3.463898|4.007195|3.899858|4.401315|5.123451|4.436865|6.851131|7.933111|13.775410|36.858105| |3.474009|4.054284|3.721887|0.107513|3.870907|4.538195|4.552544|5.242018|5.945782|5.020186|7.917481|6.874943|7.939891|13.713193|36.858105| |3.623610|4.527113|4.465894|0.129158|5.006626|5.636979|5.802307|7.170106|8.476985|7.550130|13.680219|7.935182|6.873071|7.932137|13.779724|36.858105| |6.245350|7.469288|12.491052|0.256977|7.662162|8.599033|6.140705|5.749034|7.157867|4.335978|3.852836|3.698288|3.114891|2.804179|2.869210|3.300310|53.358707| |7.314725|7.174031|9.398938|0.232841|5.752858|6.564850|5.013020|4.810365|5.910408|3.846205|3.589498|3.622411|3.125500|2.775549|2.760027|3.080133|25.758631|0.500000| |5.243069|6.161070|7.404697|0.154515|6.127762|8.618135|6.037231|5.221031|5.888042|3.478323|3.160477|2.976884|2.617233|2.452286|2.551538|2.877214|17.057469|0.260387|36.858105| |4.331468|4.443459|4.944168|0.116868|4.192318|5.844375|4.569069|4.069601|4.468406|2.803494|2.587799|2.510614|2.257821|2.111867|2.156791|2.371158|10.380341|0.207928|12.807919|36.858105| |4.172222|3.940614|4.020655|0.098675|3.386152|4.653898|3.783388|3.433892|3.749464|2.429534|2.313120|2.289560|2.112063|1.985990|2.000953|2.147807|7.438755|0.165597|7.365297|14.189773|36.858105| |3.222574|3.070743|3.209128|0.081657|2.820699|3.903245|3.299140|3.021241|3.241195|2.136261|2.018411|2.003844|1.854868|1.744761|1.754011|1.876735|5.711613|0.124167|5.151907|8.567666|13.253473|36.858105| |2.988282|2.967814|3.259558|0.083148|2.949458|4.130173|3.511781|3.199010|3.402052|2.223164|2.050597|2.013099|1.835942|1.721324|1.744230|1.892260|5.947491|0.123075|5.339241|8.772239|8.610065|14.222756|36.858105| |3.398507|3.523419|4.067131|0.100726|3.685997|5.214885|4.279835|3.833220|4.109268|2.609066|2.357062|2.279574|2.041095|1.906708|1.950959|2.153750|8.039123|0.155889|7.837091|14.100277|8.627748|8.617810|14.156581|73.516695| |4.318735|4.867839|7.482064|0.201353|6.284870|7.311684|5.796823|5.615922|6.799738|4.302123|3.572290|3.431510|2.838793|2.526801|2.580783|2.997606|16.916007|0.258370|7.514992|6.140872|4.500955|3.883992|4.382091|10.613398|36.858105| |3.983584|4.052621|5.477186|0.167541|4.467455|5.212205|4.418933|4.442211|5.311882|3.718022|3.225379|3.286795|2.761111|2.402478|2.377443|2.685736|10.233446|0.216775|5.201214|4.993835|4.095953|3.722629|4.113261|8.923821|12.683498|36.858105| |3.343798|3.287971|4.070961|0.118817|3.479142|4.298075|3.729601|3.687314|4.209636|2.952496|2.627193|2.685411|2.336362|2.067909|2.040351|2.258454|7.418650|0.162150|4.458012|4.829636|4.154056|4.077369|4.650194|9.410121|7.619551|14.142521|36.858105| |2.913683|2.781443|3.273169|0.097711|2.838931|3.513867|3.135411|3.148010|3.557364|2.586297|2.358938|2.468640|2.189533|1.929466|1.875127|2.040040|5.444118|0.121326|3.389431|3.668823|3.395889|3.439020|3.749548|6.986460|4.960847|7.780766|13.237042|36.858105| |2.482598|2.362275|2.687046|0.078198|2.390142|3.039360|2.746891|2.731313|3.012695|2.177352|2.008804|2.087834|1.889456|1.692477|1.649068|1.774818|4.391530|0.096558|2.913623|3.263301|3.136937|3.359916|3.668322|6.394995|3.805933|5.087802|7.600613|13.454876|36.858105| |2.219533|2.095435|2.333439|0.068496|2.094084|2.659762|2.438084|2.446809|2.686003|1.975827|1.848996|1.942578|1.781359|1.595850|1.542291|1.642428|3.661498|0.080367|2.438951|2.672474|2.620629|2.781605|2.943064|5.097055|3.069524|3.939133|5.107748|7.977895|13.898253|36.858105| |2.229345|2.092329|2.321577|0.069591|2.075681|2.597255|2.395409|2.438611|2.700448|2.030793|1.917718|2.049444|1.883997|1.668734|1.594810|1.690560|3.535779|0.077889|2.300738|2.444568|2.388024|2.453506|2.551630|4.529853|2.935118|3.800223|4.543011|6.911727|7.899803|13.614146|36.858105| |2.504437|2.347323|2.642581|0.081357|2.329450|2.853456|2.622157|2.702279|3.046764|2.330499|2.198053|2.386285|2.165997|1.883251|1.785947|1.902443|3.976229|0.088206|2.492864|2.580487|2.478704|2.468365|2.561273|4.688612|3.333779|4.518367|5.104138|7.782118|6.693549|7.832233|13.865673|36.858105| |2.925459|2.763833|3.225405|0.100409|2.782246|3.361910|3.036761|3.120318|3.577109|2.702393|2.497725|2.689651|2.381592|2.056946|1.966553|2.128039|5.028988|0.112656|3.034087|3.127631|2.923639|2.865245|3.019928|5.689215|4.418145|6.773129|7.868946|13.634909|7.818599|6.909151|8.059067|13.565351|36.858105| |3.359132|3.208066|3.860058|0.127355|3.255818|3.786418|3.405602|3.572490|4.231229|3.291065|3.025094|3.329568|2.859197|2.401179|2.278372|2.493917|5.777667|0.129081|3.274336|3.199064|2.922904|2.747848|2.873660|5.621553|5.088283|7.998924|7.028050|7.982071|5.166509|4.601370|5.236599|7.893762|13.771559|53.358707| |3.194977|3.039740|3.558574|0.119084|3.046974|3.528615|3.224626|3.434320|4.067536|3.278889|3.084759|3.502315|3.027949|2.499148|2.332555|2.528056|5.033356|0.111257|2.903481|2.798226|2.592199|2.430583|2.509663|4.864516|4.220247|5.824744|5.138479|5.791237|4.241658|4.034000|4.822645|7.347438|9.238834|25.997816|0.500000| |4.007000|3.985658|5.224868|0.181606|4.229220|4.719301|4.133252|4.349066|5.359592|4.091843|3.619929|3.893561|3.197475|2.673209|2.578669|2.901365|7.954367|0.174004|4.086774|3.790594|3.306288|2.997317|3.167954|6.517741|7.518260|13.043659|7.846662|6.676951|4.462633|3.775748|3.962699|5.153026|7.793061|19.138028|0.266331|36.858105| |4.361812|4.520123|6.112907|0.244123|4.911062|5.156840|4.550036|4.973296|6.479360|5.296737|4.652274|5.149232|3.954078|3.184074|3.054369|3.510478|7.925270|0.165541|3.983035|3.485321|3.040953|2.697660|2.810195|5.818302|6.701399|8.078476|5.368798|4.682879|3.474162|3.063016|3.247565|4.096340|5.386147|11.572456|0.220416|15.669753|73.516695| |2.379970|2.228556|2.467284|0.077038|2.193663|2.666777|2.481662|2.594511|2.930045|2.303306|2.214257|2.456807|2.257196|1.942313|1.815065|1.913220|3.551340|0.078140|2.223061|2.244372|2.163265|2.119371|2.170443|4.000523|2.892499|3.705454|3.838914|4.965823|4.372655|4.983182|7.554555|12.610663|7.486263|8.982305|0.212206|4.501461|6.937575|36.858105| |2.339144|2.252425|2.539810|0.071666|2.298580|3.003072|2.710732|2.645228|2.865031|2.023207|1.861122|1.899770|1.728161|1.573093|1.550517|1.669686|4.226036|0.091157|2.963761|3.474515|3.372430|3.860509|4.409349|7.216574|3.611257|4.396639|6.379165|7.457339|12.607537|7.610370|5.014788|4.372362|4.972305|5.247820|0.090749|3.640093|5.267276|3.246728|36.858105| |17.517319|8.674936|6.470379|0.161028|4.417911|5.291726|4.211757|4.046875|4.805352|3.234491|3.352852|3.493693|3.280228|3.004146|2.912875|3.055709|9.076657|0.237901|5.999870|5.261864|5.311877|3.878665|3.471345|6.961876|4.500818|4.193768|3.629225|3.123193|2.680028|2.363766|2.333538|2.586610|3.043998|4.609928|0.087355|3.992598|7.270545|2.400966|2.558820|0.500000| |17.549040|8.762356|6.831357|0.205647|4.548473|5.033049|4.168230|4.237043|5.273336|3.829879|4.219870|4.797142|4.503573|3.843025|3.526129|3.657469|7.861156|0.194342|4.501529|3.865905|3.712924|2.991489|2.815171|5.633032|4.328569|4.254929|3.514061|3.131314|2.619161|2.362232|2.419448|2.778926|3.255066|5.255823|0.103745|4.586657|9.121255|2.678191|2.401811|0.300305|0.500000| |17.593282|8.850075|5.453728|0.141751|4.086889|4.865926|4.039943|3.976939|4.701145|3.269007|3.667397|3.895791|3.913827|3.702053|3.504824|3.488196|6.359241|0.144774|4.258860|3.663348|3.663650|2.899452|2.656933|5.230474|3.477541|3.252466|2.825687|2.528720|2.206931|2.006136|2.021077|2.243272|2.551327|3.912765|0.077323|3.299197|6.354507|2.162323|2.094657|0.304113|0.302495|0.500000| |8.770086|17.594364|8.771267|0.173807|6.964125|8.661893|6.300941|5.751546|6.796010|4.066005|4.205624|3.883168|3.541363|3.465802|3.689961|4.074403|8.954160|0.168387|6.611647|4.641293|4.127567|3.164830|3.035938|6.416121|4.392273|3.580780|3.013085|2.546714|2.210454|1.959443|1.932385|2.129267|2.480153|3.803655|0.073231|3.388417|6.578212|2.009288|2.154561|0.208768|0.172096|0.210165|0.500000| |8.897779|17.584520|9.075896|0.219728|7.090482|7.400773|5.992467|6.138786|7.957574|5.262978|6.238741|5.820946|5.212759|4.989730|5.248358|5.856563|7.543736|0.147283|4.664950|3.563984|3.219721|2.614419|2.548333|5.272685|4.113037|3.537106|2.897560|2.516539|2.152609|1.940316|1.961505|2.207669|2.554254|4.070050|0.080745|3.640573|7.616330|2.140681|2.038447|0.172588|0.209832|0.217627|0.305973|0.500000| |3.719860|4.505201|6.056558|0.212940|6.667279|6.511144|6.363091|8.232074|12.480853|17.636256|8.863536|7.329042|4.779259|3.982538|4.182427|5.578438|6.321903|0.115975|3.548215|2.910610|2.512237|2.224098|2.330574|4.869208|4.910364|4.400216|3.378363|2.955269|2.430945|2.197008|2.277850|2.665441|3.146171|5.417298|0.110450|5.125349|12.732711|2.633565|2.217696|0.092003|0.110998|0.089617|0.106068|0.133162|0.500000| |3.058067|3.759047|4.546200|0.137406|5.731992|6.317074|7.107106|10.679854|12.773548|17.642664|8.825459|5.898468|4.305929|3.976184|4.597344|6.709732|4.885585|0.089159|3.018052|2.494453|2.177795|1.948282|2.040508|4.212444|3.678939|3.233766|2.652876|2.358644|2.018178|1.846992|1.897748|2.156066|2.458335|3.985482|0.081554|3.507562|7.679753|2.143747|1.887016|0.076145|0.087457|0.077074|0.094398|0.115309|0.302029|0.500000| |4.196646|4.518242|5.024785|0.185436|4.505244|4.709635|4.418809|5.160360|6.810029|7.036287|8.911724|17.703691|8.905353|5.644793|4.951943|5.640818|5.304916|0.107868|3.035348|2.596613|2.361008|2.080234|2.101186|4.229271|3.750384|3.745206|3.005112|2.785833|2.311308|2.151010|2.298328|2.736900|3.116577|5.472195|0.120393|4.733240|11.937294|2.844974|2.064299|0.098547|0.137957|0.104016|0.101404|0.141878|0.226141|0.152975|0.500000| |3.804783|3.760459|3.555970|0.114253|3.207493|3.637211|3.444758|3.843074|4.604592|4.097257|5.638092|8.912438|17.721346|8.920258|5.644254|4.952383|3.946778|0.082741|2.444728|2.157379|2.046824|1.810954|1.781668|3.479275|2.667913|2.675550|2.296326|2.194193|1.899893|1.810786|1.936539|2.236066|2.422445|3.949536|0.086968|3.145766|6.784455|2.371945|1.722504|0.088262|0.123039|0.104739|0.088338|0.122658|0.113759|0.099756|0.215187|0.500000| |3.279686|3.419033|3.053963|0.090235|2.939830|3.497128|3.403004|3.754139|4.246972|3.548592|4.941190|5.642192|8.920953|17.724384|8.904302|5.645408|3.383675|0.069116|2.217260|1.943528|1.854061|1.639081|1.606143|3.126193|2.245136|2.158714|1.890538|1.783055|1.581453|1.502501|1.572538|1.760932|1.899035|2.971893|0.063249|2.383407|4.923354|1.825067|1.473918|0.076803|0.096011|0.095860|0.085687|0.116099|0.090636|0.090539|0.124117|0.214914|0.500000| |3.087336|3.560605|3.227814|0.090700|3.404685|4.172467|4.252039|4.770942|5.127139|4.093728|5.638430|4.953699|5.647164|8.900842|17.725901|8.936672|3.494173|0.068557|2.350762|2.006390|1.875504|1.652541|1.639354|3.237337|2.313070|2.126634|1.853468|1.708540|1.519874|1.425371|1.466757|1.625478|1.776882|2.756501|0.057315|2.267014|4.659662|1.647440|1.441311|0.073356|0.085193|0.088275|0.093771|0.123689|0.096144|0.108268|0.107518|0.124104|0.214704|0.500000| |3.277256|4.167509|4.190932|0.115843|5.083080|6.067448|6.676763|8.482136|8.919188|6.995233|8.887144|5.641055|4.950916|5.643729|8.933457|17.702216|4.321310|0.080736|2.852941|2.339607|2.103972|1.846222|1.874563|3.807113|2.910145|2.554046|2.167337|1.944660|1.705268|1.572909|1.604987|1.788624|2.000508|3.144128|0.064320|2.685798|5.637684|1.782474|1.622281|0.078758|0.089498|0.087634|0.109467|0.142863|0.140455|0.190237|0.123977|0.107495|0.124186|0.215854|0.500000| |6.085078|7.344971|7.207379|0.146619|5.890158|8.379790|5.878984|5.065468|5.680108|3.370408|3.193073|3.005789|2.700894|2.575580|2.690306|2.986999|12.313298|0.217998|17.710175|9.063218|6.895042|4.667663|4.488420|10.318408|5.546158|4.232071|3.679745|2.950216|2.577621|2.210140|2.109430|2.281738|2.713945|4.003480|0.074129|3.581015|6.406435|2.072848|2.603950|0.195297|0.134002|0.139815|0.251694|0.147340|0.092904|0.081058|0.083176|0.069799|0.064996|0.069359|0.082194|0.500000| |4.258681|5.249340|6.537927|0.138879|6.560517|10.680051|7.228701|5.874361|6.300808|3.557671|3.127111|2.855801|2.491809|2.363281|2.509968|2.879081|12.301777|0.182665|17.701097|8.891695|5.656627|4.451531|4.905454|12.924779|7.074881|4.695868|4.062533|3.118934|2.716091|2.287527|2.155852|2.322756|2.798263|4.099096|0.074803|3.732194|6.554620|2.083610|2.793868|0.127276|0.104411|0.100093|0.160023|0.118114|0.099126|0.087427|0.080146|0.064019|0.059188|0.064711|0.081286|0.303400|0.500000| |4.647269|4.160721|3.951739|0.097005|3.270673|4.444671|3.625891|3.314695|3.636820|2.378218|2.320122|2.316470|2.171894|2.054804|2.057043|2.176548|6.808499|0.156261|6.370686|8.814305|17.785083|8.462325|5.860423|10.443571|3.945371|3.647093|3.602526|3.057838|2.822486|2.422855|2.250615|2.348922|2.725802|3.759520|0.069232|3.096956|5.183038|2.088167|2.951818|0.172527|0.111289|0.116256|0.122696|0.093953|0.067673|0.058995|0.065750|0.058688|0.053638|0.053720|0.058858|0.189959|0.136281|0.500000| |2.886004|2.703031|2.764079|0.071455|2.450850|3.378939|2.912802|2.692140|2.871972|1.920837|1.835425|1.835417|1.719843|1.624134|1.623835|1.718709|4.692272|0.102734|4.043060|5.842108|8.452628|17.812159|8.825186|10.442963|3.223872|3.181894|3.514686|3.123695|3.156341|2.684038|2.361128|2.335366|2.641375|3.403598|0.062206|2.657273|4.274714|2.017098|3.654348|0.095362|0.075137|0.073834|0.077204|0.065102|0.055415|0.048998|0.052835|0.046980|0.042732|0.042714|0.046897|0.106013|0.099440|0.193637|0.500000| |2.582600|2.583445|2.853014|0.074047|2.649518|3.721922|3.250847|2.981962|3.131368|2.067021|1.896416|1.860090|1.698166|1.594334|1.616691|1.753037|5.009417|0.102321|4.272984|6.032336|5.820159|8.616223|17.835573|16.492666|3.884770|3.741566|4.366989|3.646564|3.727788|2.993934|2.545536|2.504338|2.907807|3.691472|0.066046|2.926862|4.599986|2.111916|4.765933|0.081274|0.068598|0.064510|0.072992|0.062905|0.060320|0.053355|0.054036|0.045875|0.041427|0.042336|0.048414|0.101520|0.114604|0.123204|0.195094|0.500000| |3.708349|4.141723|5.737335|0.146497|5.334462|6.966690|5.619494|5.210117|5.872154|3.648189|3.061532|2.906072|2.467190|2.245231|2.314090|2.660966|12.280554|0.197422|7.777177|6.983093|4.808872|4.308846|5.233864|13.917606|17.713855|8.935161|7.273010|4.706724|3.816092|3.028223|2.807073|3.075784|3.964426|5.772812|0.098990|5.567575|8.740413|2.637250|3.841914|0.110050|0.100433|0.085720|0.109950|0.098105|0.111360|0.090081|0.086388|0.064638|0.056082|0.058597|0.073178|0.151285|0.223849|0.111669|0.097071|0.129719|0.500000| |3.988985|4.742484|7.637826|0.215920|7.525102|8.237749|6.780129|6.871308|8.635042|5.348435|4.092068|3.787281|3.026594|2.686298|2.788123|3.343187|12.282066|0.189015|6.022237|4.752448|3.663221|3.216149|3.586698|8.286130|17.689299|8.913548|5.827280|4.241263|3.330007|2.780293|2.717265|3.111214|4.002871|6.503514|0.114806|7.041919|12.745492|2.787108|3.130591|0.109739|0.112193|0.091040|0.117978|0.117018|0.175196|0.125802|0.115017|0.077579|0.065374|0.068819|0.090835|0.133745|0.172767|0.092051|0.076182|0.091054|0.302843|0.500000| |3.139407|3.127169|3.804338|0.105858|3.346020|4.300587|3.719299|3.587589|3.992464|2.723583|2.422894|2.430557|2.137658|1.926715|1.922349|2.124971|7.132190|0.150433|4.726227|5.535777|4.655241|4.818591|5.976126|12.103056|7.072532|9.124307|17.745337|8.799232|6.990365|4.666960|3.943462|4.139313|5.623646|6.852409|0.110690|5.599658|7.636173|3.214684|7.293278|0.096315|0.088665|0.074577|0.082017|0.075998|0.084330|0.068737|0.073860|0.058012|0.049164|0.048996|0.057378|0.105829|0.121456|0.107020|0.112205|0.158598|0.222523|0.148601|0.500000| |2.005900|1.897940|2.085802|0.060531|1.893868|2.434583|2.245591|2.243058|2.434590|1.783290|1.676594|1.751731|1.620897|1.466334|1.421018|1.505894|3.247580|0.070699|2.215374|2.445285|2.430574|2.628778|2.770288|4.692125|2.676331|3.281096|4.123819|5.650474|8.976539|17.736057|8.913493|5.624619|4.972828|4.973096|0.091591|3.121688|4.649129|4.089064|7.054224|0.059396|0.058689|0.050935|0.049814|0.048994|0.054450|0.046639|0.053299|0.045752|0.038559|0.036714|0.040246|0.056222|0.058123|0.062620|0.071808|0.079664|0.074505|0.067870|0.110224|0.500000| |2.017790|1.893232|2.070271|0.061829|1.869622|2.351714|2.187599|2.231350|2.452463|1.854134|1.767287|1.892247|1.760227|1.567501|1.493808|1.571254|3.096531|0.067781|2.040780|2.157135|2.126516|2.187666|2.254558|3.975430|2.523421|3.141330|3.615904|4.972462|5.653489|8.928314|17.718501|9.010887|5.695648|5.738321|0.113444|3.306204|5.010657|7.026488|4.108704|0.058302|0.060672|0.051472|0.048805|0.049751|0.057262|0.048498|0.058541|0.050533|0.041311|0.038333|0.041462|0.052579|0.053416|0.056235|0.059185|0.062737|0.067331|0.065799|0.089852|0.217441|0.500000| |2.314615|2.213444|2.482506|0.078225|2.244102|2.715246|2.554135|2.701165|3.050950|2.438485|2.319459|2.570492|2.332005|1.996413|1.871183|1.986955|3.514321|0.075885|2.184889|2.168827|2.059886|2.006662|2.076252|3.878849|2.907765|3.671585|3.680340|4.534765|3.914047|4.271188|5.880826|8.802359|6.616233|8.932698|0.225956|4.586253|7.276432|17.528237|2.998009|0.064007|0.072212|0.058368|0.055332|0.059654|0.078346|0.063576|0.083521|0.067727|0.051803|0.047015|0.051417|0.056475|0.057553|0.055088|0.052707|0.056268|0.073282|0.079797|0.085757|0.099433|0.152862|0.500000| |2.580462|2.368221|2.581892|0.081447|2.256268|2.717152|2.513344|2.633409|3.003601|2.378364|2.334395|2.647434|2.459762|2.091486|1.925922|2.011220|3.661050|0.081765|2.271975|2.276023|2.211261|2.133547|2.150649|3.975135|2.894890|3.670067|3.676034|4.532539|3.911250|4.268126|5.876132|8.799722|6.616080|8.946576|0.226124|4.589742|7.292125|17.526086|2.995706|0.071800|0.082255|0.065273|0.058723|0.063420|0.075350|0.060841|0.085810|0.072991|0.054733|0.048334|0.051520|0.059490|0.058541|0.060070|0.056450|0.057392|0.072285|0.077282|0.085569|0.099360|0.152724|0.300832|0.500000| |2.123236|1.988286|2.168211|0.066642|1.951221|2.402261|2.250503|2.343084|2.611865|2.042261|1.976424|2.177232|2.031843|1.772066|1.658158|1.733713|3.112317|0.068087|1.992484|2.027528|1.975830|1.957627|1.996932|3.630388|2.503658|3.101304|3.263629|4.150107|3.938755|4.744775|7.280407|8.891216|5.554113|6.567143|0.148224|3.594541|5.680167|17.612401|3.015470|0.059667|0.065558|0.054311|0.050347|0.053256|0.063847|0.053334|0.068794|0.059436|0.046679|0.042146|0.045090|0.051959|0.052139|0.053163|0.052355|0.054421|0.064543|0.067126|0.078516|0.113665|0.224808|0.303085|0.303066|0.500000| |2.269083|2.237205|2.563528|0.071842|2.370670|3.130030|2.843766|2.763938|2.964833|2.075645|1.880397|1.894627|1.709732|1.562230|1.553808|1.687426|4.277629|0.089562|3.026646|3.507576|3.280782|3.736683|4.510228|7.604266|3.785652|4.456562|6.365353|6.598494|8.817017|5.922598|4.299377|3.915631|4.536563|5.012325|0.086833|3.593387|5.245972|2.999401|17.545332|0.068344|0.064231|0.056347|0.059788|0.056360|0.063168|0.054135|0.057004|0.046953|0.040501|0.040164|0.045870|0.072854|0.081202|0.078791|0.096110|0.140963|0.115940|0.092047|0.217568|0.153695|0.099978|0.079251|0.076562|0.077113|0.500000| 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