Version2.1 2020-12-18T12:27:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(n(n1)c2ccccc2)Oc3ccc(cc3)F)C[NH+](CC4CC4)C[C@@H](CCC=C)O C36342120 RHF 6-31G(d) (6D,7F) Cc1c(c(n(n1)c2ccccc2)Oc3ccc(cc3)F)C[NH+](CC4CC4)C[C@@H](CCC=C)O C01[X(C27H33F1N3O2)] 192 C1 561 C=CCC[C@H](C[NH+](Cc1c(C)nn(c1Oc1ccc(cc1)F)c1ccccc1)CC1CC1)O C=CCC[C@H](C[NH+](Cc1c(C)nn(c1Oc1ccc(cc1)F)c1ccccc1)CC1CC1)O Cc1nn(c2ccccc2)c(Oc3ccc(F)cc3)c1C[NH+](C[C@H](O)CCC=C)CC4CC4 InChIKey=CSEMQFDYTRFVLU-XMMPIXPASA-O InChI=1S/C27H32FN3O2/c1-3-4-10-24(32)18-30(17-21-11-12-21)19-26-20(2)29-31(23-8-6-5-7-9-23)27(26)33-25-15-13-22(28)14-16-25/h3,5-9,13-16,21,24,32H,1,4,10-12,17-19H2,2H3/p+1/t24-/m1/s1 InChI=1/C27H32FN3O2/c1-3-4-10-24(32)18-30(17-21-11-12-21)19-26-20(2)29-31(23-8-6-5-7-9-23)27(26)33-25-15-13-22(28)14-16-25/h3,5-9,13-16,21,24,32H,1,4,10-12,17-19H2,2H3/p+1/t24-/m1/s1/fC27H33FN3O2/h30H/q+1 Cc1c(c(n(n1)c2ccccc2)Oc3ccc(cc3)F)C[NH+](CC4CC4)C[C@@H](CCC=C)O C01[X(C27H33F1N3O2)] 192 C01 561 C=CCC[C@H](C[NH+](Cc1c(C)nn(c1Oc1ccc(cc1)F)c1ccccc1)CC1CC1)O C=CCC[C@H](C[NH](C[C]1[C]([N][N@@]([C]1O[C]1[CH][CH][C]([CH][CH]1)F)[C]1[CH][CH][CH][CH][CH]1)C)CC1CC1)O C[C]1[N]N([C]2[CH][CH][CH][CH][CH]2)[C](O[C]3[CH][CH][C](F)[CH][CH]3)[C]1C[NH](C[C@H](O)CCC=C)CC4CC4 InChIKey=ZBOFJTMAGDPDPK-XMMPIXPASA-N InChI=1S/C27H33FN3O2/c1-3-4-10-24(32)18-30(17-21-11-12-21)19-26-20(2)29-31(23-8-6-5-7-9-23)27(26)33-25-15-13-22(28)14-16-25/h3,5-9,13-16,21,24,30,32H,1,4,10-12,17-19H2,2H3/t24-/m1/s1 InChI=1/C27H33FN3O2/c1-3-4-10-24(32)18-30(17-21-11-12-21)19-26-20(2)29-31(23-8-6-5-7-9-23)27(26)33-25-15-13-22(28)14-16-25/h3,5-9,13-16,21,24,30,32H,1,4,10-12,17-19H2,2H3/t24-/m1/s1 3357.1467682777 -1453.8788275 1-A 19784.6029 120 441 561 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11.67767
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MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE Cc1c(c(n(n1)c2ccccc2)Oc3ccc(cc3)F)C[NH+](CC4CC4)C[C@@H](CCC=C)O C36342120 RHF 6-31G(d) (6D,10F) C1 450.255681 |X|Y|Z| 116.134706 65.145949 45.313240
69.988204 24 6 7 8 20 3 1
|36.858105| |12.704052|36.858105| |7.237137|13.376077|36.858105| |5.193298|8.674919|13.861444|36.858105| |5.353659|8.975528|8.690107|14.298182|53.358707| |7.832786|14.703903|8.502946|8.633318|19.235660|53.358707| |3.954924|5.483564|5.301841|7.637384|18.138126|10.785180|36.858105| |3.635314|4.651886|4.244236|5.337277|10.719201|8.915967|13.750273|36.858105| |2.893926|3.488934|3.277845|3.984859|7.032372|6.110911|7.973059|13.772081|36.858105| |2.570227|3.084018|3.005786|3.703068|6.188214|5.197228|6.900362|7.930513|13.740476|36.858105| |2.679017|3.297349|3.322795|4.268472|6.998741|5.508075|7.972659|6.867952|7.943827|13.760337|36.858105| |3.235784|4.226640|4.344513|6.086272|10.611700|7.306521|13.770172|7.907684|6.868309|7.930478|13.750798|36.858105| |3.838308|5.418218|7.751083|14.263413|11.139358|7.472177|6.497187|4.688859|3.776062|3.700401|4.418415|6.132548|73.516695| |3.318191|4.345787|5.926736|8.033870|7.684469|5.815562|4.878652|3.680454|3.155312|3.238093|3.965587|5.205903|24.474796|36.858105| |2.728450|3.379857|4.351716|5.336437|5.657251|4.525754|3.859034|3.118511|2.792159|2.909507|3.480935|4.185913|14.464533|13.759229|36.858105| |2.388558|2.842621|3.504051|4.015234|4.515062|3.786680|3.136195|2.606172|2.395213|2.531901|3.007568|3.463136|9.357528|7.965185|13.786611|36.858105| |2.413252|2.834192|3.429471|3.816500|4.379930|3.755468|3.011510|2.487177|2.284973|2.423347|2.898844|3.354039|8.223634|6.960429|8.002240|13.795861|36.858105| |2.784210|3.322159|4.038437|4.490502|5.120695|4.384521|3.416287|2.739188|2.467120|2.599333|3.154859|3.802389|9.195223|7.970688|6.866156|7.912820|13.848251|36.858105| |3.371928|4.291726|5.536212|6.650824|7.025795|5.677608|4.428577|3.358767|2.911356|3.016726|3.720385|4.839320|13.906717|13.785762|7.910100|6.849504|7.986396|13.720538|36.858105| |2.105306|2.397987|2.804220|3.026234|3.599727|3.179584|2.514313|2.136558|1.997758|2.124709|2.493905|2.784486|6.222968|4.690743|5.312845|8.170076|14.384951|8.178534|5.303914|97.533100| |5.820589|7.278084|12.817504|7.393550|7.118255|7.052150|3.807502|3.215299|2.633984|2.471307|2.713993|3.364717|10.697510|5.394856|4.292039|3.584192|3.516955|4.030942|5.130146|6.548026|36.858105| |4.906567|5.527952|7.561210|5.468206|5.761275|5.771998|3.291229|2.936578|2.444845|2.265712|2.419106|2.890951|8.666549|4.260729|3.742167|3.149503|2.972630|3.202033|3.830901|5.697349|12.499186|53.358707| |5.738953|6.075445|7.270890|5.155331|5.805804|6.167051|3.305326|3.029651|2.498284|2.271258|2.382855|2.828642|7.758506|3.715980|3.248697|2.759892|2.629616|2.850773|3.400302|5.105187|9.349981|25.684772|0.500000| |3.883265|4.608079|6.217196|5.476226|5.715135|5.324593|3.410225|3.066960|2.575700|2.393221|2.547723|3.017087|9.728527|4.571842|4.248676|3.421717|3.054654|3.158074|3.772899|5.798254|7.589315|17.232430|0.257434|36.858105| |3.295456|3.658519|4.359785|3.982004|4.569840|4.394053|2.879033|2.720182|2.343401|2.160772|2.239307|2.558007|7.071606|3.423556|3.327485|2.799605|2.507550|2.541916|2.917526|4.917162|4.933091|10.289856|0.198092|12.643814|36.858105| |2.668748|2.973067|3.467996|3.396424|3.998375|3.744156|2.645091|2.532012|2.245566|2.098080|2.162094|2.410850|6.384170|3.164290|3.247136|2.757920|2.408657|2.369684|2.659005|4.774125|3.746241|6.672127|0.127690|7.393441|12.697657|36.858105| |2.685269|2.888998|3.365306|3.129546|3.663141|3.526491|2.378851|2.257105|2.000581|1.878467|1.947964|2.180132|5.719703|2.940427|2.982317|2.615097|2.340793|2.315921|2.559163|4.696910|3.890266|7.376892|0.138466|7.217942|12.656225|12.776161|36.858105| |3.954893|4.061068|4.977906|3.916871|4.374933|4.434331|2.629760|2.386538|2.050198|1.927986|2.051073|2.387225|6.528250|3.471271|3.205075|2.854189|2.740600|2.892966|3.259090|5.424465|7.613607|17.220427|0.261224|7.545187|6.190236|4.367403|5.488803|36.858105| |3.769370|3.597827|3.994163|3.221432|3.814540|4.000687|2.344728|2.195166|1.902580|1.770479|1.847591|2.111101|5.284940|2.770005|2.579662|2.329547|2.250253|2.367804|2.631412|4.549491|5.210531|10.363837|0.221327|5.502838|5.528241|3.986539|5.135513|12.479878|36.858105| |3.406821|3.324908|3.665918|3.068146|3.670535|3.805629|2.293748|2.179089|1.898744|1.758983|1.818986|2.059649|5.118016|2.644250|2.504812|2.246797|2.134314|2.213992|2.459327|4.320983|4.508795|9.174542|0.200769|5.688264|6.642840|4.662001|6.401563|8.866495|17.550024|0.500000| |3.085142|2.902129|3.155242|2.637973|3.181195|3.321856|2.002738|1.880627|1.660168|1.563448|1.632647|1.840483|4.413850|2.392015|2.267709|2.112128|2.069910|2.158932|2.325234|4.280268|3.983034|6.752377|0.137147|3.966999|4.008336|3.213110|4.098693|7.589401|12.482260|0.246308|36.858105| |2.753972|2.534269|2.648283|2.264623|2.811652|2.967889|1.802237|1.724054|1.536795|1.441325|1.487094|1.654285|3.781093|2.034417|1.937150|1.812405|1.777372|1.848593|1.981135|3.712365|3.135519|5.129389|0.109348|3.197922|3.381616|2.819805|3.489154|4.885516|7.442124|0.190412|12.404121|36.858105| |2.321468|2.154788|2.248703|1.964128|2.454871|2.569556|1.596522|1.527204|1.377766|1.304187|1.347402|1.485871|3.323160|1.819823|1.752316|1.668769|1.648627|1.702098|1.790568|3.495547|2.624859|4.093186|0.084926|2.633929|2.748151|2.396344|2.904202|3.789041|4.897686|0.127474|7.557299|12.651609|36.858105| |2.194350|2.009231|2.060879|1.808928|2.289354|2.413511|1.497587|1.437140|1.302567|1.234853|1.273352|1.398037|3.046016|1.674281|1.605286|1.538455|1.534492|1.592366|1.666428|3.274897|2.359584|3.554782|0.074271|2.289468|2.351259|2.073324|2.433924|3.159343|3.892110|0.100447|5.360701|7.608084|14.457421|36.858105| |4.832733|4.247545|4.403085|3.407534|4.146474|4.559838|2.504408|2.361677|2.019982|1.854683|1.923094|2.210115|5.328719|2.735169|2.472580|2.217878|2.171113|2.336856|2.640722|4.372825|5.430363|9.754083|0.252964|4.925091|4.740506|3.474924|4.069092|8.202975|13.505495|0.258593|7.770917|6.222598|4.267818|3.663659|73.516695| |17.546714|8.887877|6.363339|4.636389|6.266812|8.314032|3.511134|3.167070|2.597520|2.369115|2.505800|3.007377|6.332495|3.232681|2.662734|2.381302|2.458990|2.877145|3.421349|4.865371|5.695459|6.215360|0.140572|3.544013|2.996045|2.456745|2.517600|3.913423|3.688361|0.090038|3.132143|2.770465|2.369506|2.264041|8.294024|0.500000| |17.621653|8.990046|5.481588|4.450926|6.758719|10.276158|3.899293|3.747339|2.999853|2.620941|2.674346|3.165230|6.035021|2.945343|2.459083|2.171251|2.194547|2.512708|2.994894|4.353384|4.422334|5.318412|0.124967|3.290334|2.898345|2.415876|2.399995|3.258766|3.191552|0.082197|2.688359|2.475316|2.118237|2.027345|7.103606|0.301365|0.500000| |17.553012|8.838854|6.420172|4.610135|6.172113|8.147102|3.474705|3.278139|2.656003|2.356357|2.428868|2.877160|6.340460|3.083301|2.606353|2.284365|2.276500|2.566721|3.053172|4.498538|5.825240|7.516371|0.196511|4.201283|3.670896|2.882924|2.956604|4.479170|4.507440|0.112556|3.546526|3.179446|2.598841|2.431573|11.223063|0.302042|0.300896|0.500000| |4.015351|5.027298|4.343091|5.089934|9.896159|9.664988|8.933508|17.755161|8.892574|5.636972|4.952444|5.642376|7.618160|3.353840|2.864826|2.407595|2.299341|2.524474|3.071557|4.477341|3.285847|4.185194|0.090587|3.178013|2.868570|2.626892|2.347173|2.480681|2.322245|0.064376|1.969354|1.818215|1.596646|1.501547|4.515664|0.093884|0.117722|0.101786|0.500000| |2.673474|3.106999|2.887337|3.365367|5.703339|5.270623|5.665369|8.946383|17.729902|8.908363|5.647948|4.950568|5.666374|2.706696|2.444523|2.127011|2.029651|2.169073|2.511536|4.046809|2.376155|3.065465|0.064541|2.370089|2.209060|2.131851|1.901184|1.912219|1.802699|0.050305|1.580421|1.478902|1.328341|1.259112|3.408575|0.066589|0.078032|0.069200|0.214720|0.500000| |2.254427|2.630955|2.571086|3.071538|4.925234|4.294925|4.967133|5.644628|8.911818|17.729403|8.919792|5.644144|5.523270|2.800504|2.587636|2.303205|2.208590|2.333677|2.633747|4.433737|2.171968|2.743943|0.056115|2.129777|1.953767|1.919690|1.724368|1.743888|1.614241|0.044687|1.439385|1.335993|1.216780|1.155573|2.991489|0.058266|0.064069|0.058007|0.123980|0.214725|0.500000| |2.388850|2.874914|2.942834|3.678610|5.672890|4.614787|5.666396|4.950401|5.646785|8.913209|17.730084|8.940919|6.981819|3.753086|3.408346|3.046510|2.964144|3.177347|3.598977|5.818632|2.483010|3.017158|0.060118|2.331355|2.059366|2.008433|1.822438|1.913497|1.721640|0.047012|1.538885|1.402563|1.281019|1.213282|3.157581|0.063142|0.065909|0.060560|0.107533|0.124114|0.214827|0.500000| |3.202492|4.181415|4.518965|6.375094|9.690694|6.786347|8.902780|5.632128|4.952638|5.646962|8.921579|17.752762|12.150091|6.458815|4.917253|4.081185|4.053872|4.775209|6.316571|7.354005|3.572857|4.049208|0.079182|3.071715|2.551532|2.396012|2.195725|2.475687|2.150873|0.057721|1.886695|1.678696|1.513951|1.423685|3.967464|0.084854|0.085089|0.078871|0.124145|0.107537|0.124215|0.215829|0.500000| |2.606021|3.206940|4.062818|4.968152|5.391275|4.328568|3.762839|3.138490|2.832232|2.924339|3.407546|3.981896|13.402737|8.951619|17.740753|8.893589|5.664647|4.950617|5.647683|9.593139|3.991584|5.049452|0.090100|4.499015|3.608979|3.673736|3.237525|3.156912|2.573966|0.070865|2.245035|1.931373|1.740702|1.586069|4.345808|0.069488|0.065699|0.070247|0.080615|0.069432|0.072614|0.091770|0.122763|0.500000| |2.127760|2.481415|2.986807|3.352068|3.877412|3.313880|2.742464|2.345953|2.193287|2.322043|2.702924|3.006284|7.550578|5.645984|8.879573|17.747224|8.953607|5.650241|4.942401|16.707651|3.085400|3.842896|0.069296|3.110511|2.637133|2.672559|2.530965|2.618571|2.172543|0.058811|1.994030|1.725237|1.601934|1.476112|3.639438|0.058793|0.054178|0.057153|0.060591|0.054784|0.059592|0.076762|0.095278|0.212383|0.500000| |2.680090|3.102395|3.614120|3.862687|4.601376|4.090194|3.090553|2.523711|2.293437|2.416237|2.898492|3.419491|7.403408|5.651238|4.951038|5.648336|8.971426|17.747414|8.868967|16.714366|3.620789|3.935330|0.072671|2.778803|2.284212|2.121780|2.098983|2.672143|2.228199|0.057489|2.064929|1.781379|1.654961|1.562992|3.945863|0.078494|0.067760|0.068198|0.065012|0.056466|0.060826|0.081713|0.116946|0.107527|0.124667|0.500000| |3.894257|5.057311|6.273250|7.269444|8.074564|6.696462|4.833555|3.594086|3.049532|3.111771|3.816853|5.111649|12.503242|8.887352|5.627884|4.941820|5.674070|8.924646|17.742036|9.611524|5.397085|5.244399|0.097565|3.622387|2.822788|2.522152|2.445659|3.243865|2.662372|0.068431|2.344335|2.008566|1.807676|1.694182|4.887811|0.111538|0.095662|0.094445|0.091688|0.072771|0.074732|0.100421|0.183849|0.124151|0.107381|0.214047|0.500000| |4.474140|5.503547|8.863331|6.814037|6.422841|5.951484|3.609544|3.002761|2.516573|2.420245|2.707767|3.345571|11.471711|6.525504|5.205834|4.346674|4.261326|4.868200|6.176618|7.713651|17.628828|12.359070|0.182495|7.079356|4.602448|3.692982|3.830785|6.889255|4.567365|0.111893|3.710191|2.907072|2.501432|2.247365|7.853738|0.125367|0.100324|0.121987|0.082992|0.062769|0.059404|0.069976|0.101786|0.129161|0.101449|0.117351|0.167265|0.500000| |6.379236|6.799108|8.990451|5.648684|6.090710|6.464069|3.361236|2.897799|2.408434|2.264008|2.467510|3.003724|8.240489|4.380522|3.586960|3.151525|3.204365|3.715618|4.494764|6.146212|17.645094|12.441023|0.224047|5.609566|4.143437|3.216293|3.439821|7.452026|5.437840|0.123286|4.308664|3.357653|2.810435|2.553555|10.705853|0.192266|0.130321|0.178016|0.082810|0.060971|0.055787|0.063229|0.088500|0.092045|0.076391|0.096776|0.136385|0.301704|0.500000| |4.149671|5.306179|7.363232|7.081404|7.132886|6.333620|4.157021|3.689515|3.011299|2.759598|2.941716|3.559065|12.455868|5.178075|4.609135|3.546257|3.139634|3.291331|4.088505|5.863894|7.327136|12.472130|0.221849|17.675961|8.935055|6.429385|5.507461|5.583607|4.426550|0.125783|3.331386|2.791385|2.335618|2.071466|7.644449|0.101986|0.098596|0.120853|0.106210|0.075921|0.067120|0.073381|0.099018|0.137541|0.088202|0.079630|0.109837|0.184654|0.146975|0.500000| |3.382203|3.999218|5.449407|5.094315|5.237414|4.739598|3.208892|2.836633|2.431530|2.314735|2.505434|2.953535|9.938971|5.064028|4.991417|4.000876|3.468442|3.480393|4.073827|6.517513|6.910022|12.408632|0.181392|17.603896|8.830824|6.868052|6.870391|6.974355|4.833753|0.135238|3.755445|2.993391|2.538980|2.209246|7.416331|0.088665|0.080566|0.098633|0.079568|0.061846|0.057564|0.064703|0.085501|0.148020|0.101205|0.083484|0.104114|0.212270|0.144559|0.302123|0.500000| |3.500842|3.770115|4.237867|3.796485|4.539483|4.522709|2.859993|2.771001|2.373858|2.150202|2.192594|2.490886|6.438827|3.075693|2.922472|2.484870|2.267636|2.331882|2.682378|4.481308|4.580004|9.292669|0.209221|8.733374|17.668324|8.693714|8.621016|5.582457|5.637167|0.196805|3.995367|3.515932|2.795719|2.404913|9.230114|0.086447|0.086358|0.111787|0.083222|0.062869|0.054034|0.055600|0.067990|0.086757|0.064895|0.058975|0.073697|0.113207|0.110712|0.207599|0.171992|0.500000| |2.495894|2.743553|3.082894|3.051887|3.723425|3.523095|2.517583|2.473422|2.219957|2.057610|2.083772|2.285717|5.653154|2.789090|2.846179|2.446301|2.156801|2.128081|2.376186|4.318467|3.215039|5.515616|0.110682|5.529632|8.607327|17.735267|8.591007|3.643367|3.505807|0.114658|2.887456|2.630133|2.250969|1.965532|5.614644|0.063411|0.063914|0.074974|0.071955|0.059366|0.052672|0.053680|0.062219|0.089117|0.066259|0.053421|0.063242|0.086754|0.078372|0.144910|0.139651|0.215016|0.500000| |2.545492|2.896756|3.449372|3.510325|4.072237|3.702784|2.730570|2.574280|2.301122|2.183930|2.277718|2.538075|6.944718|3.489774|3.729911|3.123685|2.647335|2.552216|2.852350|5.207423|3.692171|6.186735|0.114276|6.951815|8.583550|17.704140|8.624652|4.016990|3.505878|0.108435|2.907135|2.531036|2.197410|1.921505|5.495747|0.065655|0.064109|0.074665|0.072680|0.060125|0.055504|0.059153|0.070658|0.122068|0.084968|0.062615|0.073548|0.105057|0.086894|0.177011|0.204623|0.172055|0.293338|0.500000| |2.565320|2.765271|3.278900|3.053596|3.524068|3.364262|2.288350|2.138550|1.905611|1.813675|1.903302|2.133487|5.689260|3.032462|3.139800|2.802856|2.501063|2.441038|2.653264|5.041018|3.921839|7.175281|0.127421|6.690080|8.538507|8.638060|17.698686|5.769482|5.013124|0.161260|4.220179|3.462332|2.956202|2.465872|6.843425|0.068112|0.063378|0.077349|0.060961|0.050013|0.046335|0.049909|0.060550|0.093908|0.075920|0.061305|0.069501|0.111982|0.096858|0.139823|0.204144|0.170480|0.171481|0.212499|0.500000| |2.516817|2.631866|2.960274|2.735917|3.288438|3.226936|2.156306|2.077144|1.856266|1.737063|1.783555|1.974827|4.906984|2.536851|2.554148|2.281267|2.074909|2.062146|2.256885|4.221474|3.367826|6.198023|0.122814|5.399176|8.575106|8.602457|17.718868|4.825504|5.049926|0.186226|4.190064|3.754552|3.107816|2.572418|7.110028|0.065692|0.063228|0.077798|0.060462|0.049506|0.044589|0.046434|0.054934|0.076097|0.061644|0.052605|0.060610|0.090636|0.085609|0.122204|0.139575|0.212353|0.210087|0.171378|0.293182|0.500000| |3.290729|3.468884|4.276769|3.602352|4.016605|3.950119|2.477503|2.251113|1.960942|1.863077|1.986682|2.289412|6.331721|3.447849|3.326577|2.991583|2.813835|2.878238|3.171223|5.601617|6.094978|12.258458|0.187447|7.553101|6.531026|4.857011|6.562883|17.679253|8.785295|0.216249|6.689689|4.479074|3.642447|3.001346|10.342023|0.090246|0.077595|0.100561|0.064296|0.050858|0.047075|0.051901|0.066219|0.092434|0.077478|0.073114|0.085066|0.172802|0.156607|0.149054|0.222431|0.150109|0.108634|0.126062|0.215250|0.152764|0.500000| |4.025406|4.051386|4.931471|3.827603|4.289171|4.382104|2.570347|2.304882|1.986725|1.885022|2.023588|2.363027|6.322462|3.489379|3.173603|2.894184|2.866009|3.082303|3.424886|5.704783|7.868627|12.361163|0.201130|5.753341|4.648581|3.556914|4.242113|17.654456|8.906263|0.174662|7.166404|4.616175|3.751815|3.212314|12.788194|0.116453|0.091293|0.122796|0.065941|0.051276|0.047401|0.052761|0.068997|0.084304|0.073082|0.080339|0.095858|0.206383|0.250817|0.129912|0.157489|0.119231|0.084536|0.093987|0.126276|0.106169|0.302097|0.500000| |2.728848|2.647565|2.937191|2.519063|3.014646|3.083729|1.919250|1.797242|1.598969|1.517656|1.589990|1.784046|4.322870|2.376184|2.301028|2.163805|2.104116|2.157171|2.292170|4.378957|3.705957|6.252404|0.120932|3.912083|4.010105|3.327002|4.394809|7.058227|8.921851|0.213031|17.515012|8.849828|7.023882|4.894540|10.083442|0.076722|0.066653|0.084971|0.051834|0.042247|0.038940|0.041867|0.051020|0.063616|0.057331|0.057051|0.063147|0.100012|0.107679|0.089977|0.107073|0.106672|0.082088|0.084358|0.132237|0.124964|0.203146|0.182160|0.500000| |3.186143|2.951620|3.193373|2.642886|3.189361|3.351622|1.998602|1.860781|1.642211|1.554092|1.632844|1.847104|4.388299|2.414441|2.265283|2.132320|2.127419|2.244944|2.400841|4.417483|4.079048|6.393745|0.128097|3.648282|3.496929|2.847946|3.479357|6.970984|8.887963|0.174110|17.546799|8.839688|6.851326|5.430666|12.601249|0.092847|0.076606|0.100064|0.053839|0.043265|0.039718|0.042875|0.052991|0.061317|0.055563|0.060331|0.067841|0.106184|0.129044|0.087066|0.097574|0.096065|0.071225|0.073301|0.100834|0.096137|0.164890|0.217499|0.302442|0.500000| |2.966415|2.642629|2.687210|2.276577|2.864954|3.080058|1.830595|1.760293|1.564063|1.458537|1.498866|1.668470|3.737914|1.995972|1.876613|1.749768|1.727044|1.815710|1.958411|3.600217|3.118491|4.981705|0.109915|3.049781|3.174808|2.631420|3.140223|4.488773|6.709541|0.167141|8.795724|17.534981|8.973473|7.293003|12.077594|0.083105|0.074481|0.096706|0.051924|0.041912|0.037515|0.039135|0.046832|0.051758|0.046014|0.048852|0.055831|0.078673|0.094448|0.075598|0.078061|0.093901|0.068914|0.065793|0.085049|0.092631|0.109807|0.120392|0.173310|0.213182|0.500000| |2.618771|2.446417|2.557890|2.218417|2.764239|2.899785|1.785592|1.723194|1.540336|1.439640|1.476423|1.634393|3.730736|1.987884|1.908310|1.774695|1.720461|1.775337|1.908829|3.587361|2.974069|4.992429|0.107409|3.247882|3.612887|3.040570|3.826965|4.574815|6.917125|0.209266|8.838543|17.489962|8.943111|5.950265|10.079181|0.071651|0.066005|0.084149|0.050672|0.041359|0.037133|0.038619|0.045781|0.053480|0.047180|0.047211|0.053446|0.076689|0.085849|0.078601|0.083622|0.106231|0.079836|0.074319|0.102664|0.119845|0.120426|0.114107|0.210113|0.173601|0.302203|0.500000| |2.137929|2.024597|2.141182|1.894402|2.355605|2.434290|1.541718|1.472104|1.334531|1.269736|1.314359|1.444835|3.250838|1.793491|1.749053|1.676133|1.647946|1.682760|1.756062|3.512068|2.504273|3.912678|0.079534|2.583930|2.718249|2.420529|2.969447|3.637159|4.468826|0.119936|6.650676|8.653588|17.656794|9.192850|6.640632|0.060405|0.054253|0.065699|0.042520|0.035719|0.032982|0.034841|0.040992|0.048445|0.045029|0.045324|0.048769|0.067506|0.073291|0.063275|0.070377|0.075429|0.062972|0.061973|0.085585|0.088792|0.101410|0.099211|0.201828|0.163972|0.172542|0.209045|0.500000| |1.967260|1.818912|1.868730|1.660400|2.107352|2.207571|1.389990|1.334405|1.217520|1.160080|1.196737|1.307078|2.818119|1.560800|1.506667|1.456237|1.456036|1.502986|1.558218|3.133093|2.122410|3.151918|0.065179|2.064450|2.114806|1.899021|2.208190|2.761021|3.256396|0.085158|4.297933|5.468437|9.111512|17.725760|5.432316|0.056497|0.050840|0.059697|0.038547|0.032726|0.030269|0.031813|0.037033|0.041329|0.039013|0.041134|0.043852|0.056852|0.063378|0.052206|0.055953|0.059581|0.050165|0.049325|0.062626|0.064633|0.074224|0.078420|0.115105|0.122214|0.143642|0.129025|0.219720|0.500000| |2.314092|2.077316|2.095611|1.828307|2.333595|2.489408|1.523103|1.466100|1.325884|1.252158|1.287944|1.415191|3.044742|1.664607|1.581057|1.509617|1.512084|1.582571|1.665152|3.218061|2.372944|3.533436|0.075027|2.249163|2.291458|2.004701|2.316954|3.070273|3.800665|0.096983|4.945133|6.882269|9.080123|17.692243|6.749611|0.066628|0.059711|0.071585|0.042729|0.035654|0.032520|0.034003|0.039924|0.043271|0.040039|0.043297|0.047440|0.061985|0.072117|0.057128|0.059663|0.065898|0.053020|0.051587|0.064450|0.067580|0.079130|0.087296|0.119249|0.143271|0.218069|0.150294|0.173704|0.289337|0.500000| |4.350587|3.731701|3.720021|2.988555|3.741738|4.144909|2.308910|2.216640|1.915072|1.752750|1.798827|2.041005|4.711027|2.422670|2.212241|2.000639|1.960033|2.097523|2.345467|3.987291|4.310760|7.325992|0.184591|4.112335|4.179991|3.189900|3.703736|5.985669|9.704927|0.227830|7.133648|6.896585|4.548127|3.950310|35.714099|0.116083|0.104644|0.157441|0.066660|0.051005|0.044449|0.046218|0.056807|0.061090|0.051724|0.055712|0.067856|0.100725|0.130700|0.102443|0.098199|0.131028|0.082726|0.078358|0.096083|0.104981|0.130647|0.150116|0.144601|0.176471|0.234129|0.177566|0.107118|0.089841|0.116666|0.500000|
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