Version2.0 2020-01-13T13:14:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 27-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](c1ccccc1)NC(=O)COc2ccc(cc2C(=O)c3cc(c(=O)n(c3)CCCOC)C#N)F C23658867 RHF 6-31G(d) (6D,7F) C[C@@H](c1ccccc1)NC(=O)COc2ccc(cc2C(=O)c3cc(c(=O)n(c3)CCCOC)C#N)F C01[X(C27H26F1N3O5)] 180 C1 592 COCCCn1cc(cc(c1=O)C#N)C(=O)c1cc(F)ccc1OCC(=O)N[C@H](c1ccccc1)C COCCCn1cc(cc(c1=O)C#N)C(=O)c1cc(F)ccc1OCC(=O)N[C@H](c1ccccc1)C COCCCN1C=C(C=C(C#N)C1=O)C(=O)c2cc(F)ccc2OCC(=O)N[C@@H](C)c3ccccc3 InChIKey=AEWHFXIJUWVNSR-SFHVURJKSA-N InChI=1S/C27H26FN3O5/c1-18(19-7-4-3-5-8-19)30-25(32)17-36-24-10-9-22(28)14-23(24)26(33)21-13-20(15-29)27(34)31(16-21)11-6-12-35-2/h3-5,7-10,13-14,16,18H,6,11-12,17H2,1-2H3,(H,30,32)/t18-/m0/s1 InChI=1/C27H26FN3O5/c1-18(19-7-4-3-5-8-19)30-25(32)17-36-24-10-9-22(28)14-23(24)26(33)21-13-20(15-29)27(34)31(16-21)11-6-12-35-2/h3-5,7-10,13-14,16,18H,6,11-12,17H2,1-2H3,(H,30,32)/t18-/m0/s1/f/h30H C[C@@H](c1ccccc1)NC(=O)COc2ccc(cc2C(=O)c3cc(c(=O)n(c3)CCCOC)C#N)F C01[X(C27H26F1N3O5)] 180 C01 592 COCCCn1cc(cc(c1=O)C#N)C(=O)c1cc(F)ccc1OCC(=O)N[C@H](c1ccccc1)C COCCCN1C[C@H](C=C(C1=O)C#N)C(=O)c1cc(F)ccc1OCC(=O)N[C@H](c1ccccc1)C COCCCN1C[C@H](C=C(C#N)C1=O)C(=O)c2cc(F)ccc2OCC(=O)N[C@@H](C)c3ccccc3 InChIKey=WXVNNUJGPCVIOL-RXVVDRJESA-N InChI=1S/C27H28FN3O5/c1-18(19-7-4-3-5-8-19)30-25(32)17-36-24-10-9-22(28)14-23(24)26(33)21-13-20(15-29)27(34)31(16-21)11-6-12-35-2/h3-5,7-10,13-14,18,21H,6,11-12,16-17H2,1-2H3,(H,30,32)/t18-,21-/m0/s1 InChI=1/C27H28FN3O5/c1-18(19-7-4-3-5-8-19)30-25(32)17-36-24-10-9-22(28)14-23(24)26(33)21-13-20(15-29)27(34)31(16-21)11-6-12-35-2/h3-5,7-10,13-14,18,21H,6,11-12,16-17H2,1-2H3,(H,30,32)/t18-,21-/m0/s1/f/h30H 3778.5963455921 -1674.6819459 1-A 20895.6292 129 463 592 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10.1660 11.2320 11.3682 26.8779 27.7879 22.5843 50.6216 6.1792 6.2536 6.4976 6.3952 6.3468 6.7685 6.5887 6.8917 6.6768 6.9205 7.0013 7.0432 7.0798 7.1201 7.2205 7.1994 7.2404 7.3035 7.3663 7.4376 7.4069 7.4505 7.5128 7.5125 7.5989 9.5497 1.0648 0.2607 0.2924 0.4663 2.9358 0.3085 0.8048 1.7569 1.8727 1.7483 7.0730 2.2333 1.7311 0.6759 3.5042 1.0045 15.6893 1.2105 17.1993 0.9298 2.2944 5.1319 3.9829 1.4793 2.5187 4.4217 0.6846 0.1674 2.8229 0.5741 12.8865 2.3806 0.7195 0.6190 1.7203 4.3824 6.0011 78.2287 16.0607 2.3667 3.5668 2.8522 6.6502 5.6777 5.9063 23.1907 4.9652 2.7879 3.4926 1.4108 17.5469 3.3586 11.9438 7.7766 5.0255 16.3236 0.1904 2.8925 5.8033 5.3107 1.9829 28.7213 2.2098 0.1543 87.5326 10.4426 42.4252 2.4655 71.5452 54.8393 5.7480 69.1184 0.0200 2.8550 1.9105 28.4087 12.8248 15.2681 4.5411 8.7386 0.9063 17.3230 0.1774 5.8440 0.0005 13.5187 19.9060 18.9967 0.4014 4.2736 2.2779 0.1549 17.1747 7.7778 22.9400 0.1394 3.4550 21.2809 59.8210 11.3592 12.4895 132.7978 182.2261 6.0281 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C[C@@H](c1ccccc1)NC(=O)COc2ccc(cc2C(=O)c3cc(c(=O)n(c3)CCCOC)C#N)F C23658867 RHF 6-31G(d) (6D,10F) C1 491.185649 |X|Y|Z| 88.774443 104.833214 44.996476 74.814961 24 6 7 8 21 2 1 |36.858105| |12.449945|36.858105| |8.945246|17.627333|0.500000| |7.463214|12.530087|0.249122|36.858105| |5.185926|7.553899|0.206093|13.716461|36.858105| |3.940176|5.007274|0.133917|7.890644|13.742380|36.858105| |3.708404|4.415214|0.111167|6.817070|7.934882|13.762163|36.858105| |4.323296|4.992819|0.116627|7.889746|6.894706|7.959861|13.745730|36.858105| |6.167679|7.497156|0.155571|13.682420|7.972188|6.890767|7.931400|13.756264|36.858105| |7.684036|12.990461|0.258187|7.846328|5.599359|4.160346|3.829049|4.363127|6.114474|53.358707| |5.916207|7.714903|0.204118|5.190445|4.268274|3.336992|3.053080|3.341254|4.272559|19.281016|36.858105| |5.718069|6.749671|0.207201|4.520335|3.911803|3.066723|2.758952|2.947402|3.670559|11.536970|15.903073|73.516695| |4.176913|5.003371|0.130910|4.006535|3.446580|2.876354|2.711988|2.960124|3.589237|10.778798|12.455679|14.141127|36.858105| |3.542775|3.948012|0.108219|3.197883|2.844520|2.421717|2.281696|2.451286|2.890313|7.282225|8.060779|12.860256|13.698040|73.516695| |2.894845|3.135836|0.085200|2.671915|2.413363|2.118068|2.028784|2.174468|2.495779|5.476526|5.224237|8.525491|7.970251|25.115684|36.858105| |2.612575|2.861459|0.076572|2.543733|2.314941|2.074666|2.014913|2.160025|2.433161|4.969341|4.360685|6.822958|6.623984|14.019730|13.749263|36.858105| |2.214188|2.373181|0.063817|2.153625|1.985786|1.812481|1.774511|1.890902|2.088640|3.937438|3.321049|5.397108|4.475356|9.245906|7.929630|13.731960|36.858105| |2.069099|2.173100|0.059073|1.956209|1.811912|1.653164|1.612823|1.711582|1.888400|3.513689|2.985802|5.048271|3.792802|8.257305|6.912176|7.991547|13.865593|36.858105| |2.194337|2.279269|0.062593|2.007495|1.853740|1.671529|1.616711|1.714989|1.912400|3.666872|3.210265|5.610319|3.981184|9.400978|7.918116|6.869394|7.938721|13.833081|36.858105| |2.582892|2.701406|0.074455|2.311694|2.111411|1.869215|1.791590|1.908246|2.166767|4.455892|4.116925|7.266266|5.267272|14.542071|13.618836|7.904178|6.856542|7.978780|13.749063|36.858105| |2.662664|2.717722|0.076420|2.279423|2.088182|1.832986|1.741147|1.846343|2.106938|4.325399|4.040451|7.739107|4.584926|12.101086|7.476166|5.000148|4.446602|5.078464|7.686699|12.642452|36.858105| |2.350954|2.399853|0.068421|2.047437|1.909317|1.691109|1.600912|1.678718|1.890766|3.708402|3.357777|6.524140|3.681051|8.916933|5.433004|4.077911|3.840370|4.521693|6.624068|8.131512|15.901496|73.516695| |3.154122|3.100634|0.086790|2.513661|2.256613|1.952656|1.854236|1.987789|2.310242|4.878251|4.618393|9.277885|4.788509|11.779904|6.045799|4.245798|3.658982|3.907080|5.139422|7.378463|12.853653|14.499025|36.858105| |3.592809|3.410315|0.091609|2.733750|2.380143|2.055375|1.980791|2.169697|2.561467|5.471978|5.046626|9.437522|5.211843|11.613046|5.860906|4.329504|3.666023|3.752113|4.593526|6.216503|7.417159|9.364998|13.418524|36.858105| |4.227971|3.715866|0.098609|2.915994|2.494174|2.138471|2.066618|2.286622|2.737270|5.650658|4.907616|9.395657|4.516924|8.853314|4.303095|3.448601|2.968725|2.980879|3.465811|4.332976|5.022272|7.153416|7.901200|14.097801|36.858105| |4.274184|3.658403|0.101446|2.849194|2.485999|2.118910|2.016880|2.195111|2.610960|5.175691|4.422486|9.263855|3.808411|7.373773|3.540321|2.884153|2.522321|2.553598|2.964487|3.621477|4.408285|6.750128|6.699316|7.769140|13.064300|36.858105| |4.545733|3.651523|0.100996|2.875409|2.505645|2.141648|2.044441|2.229196|2.648837|4.861943|3.900305|7.994985|3.284247|6.057841|2.945344|2.491465|2.204190|2.212235|2.503562|2.960153|3.453224|5.478338|4.713937|5.350691|8.080138|15.886044|73.516695| |3.574114|3.274402|0.094520|2.596355|2.338327|2.001266|1.880278|2.005207|2.344117|4.668358|4.136370|9.107199|3.657339|7.492886|3.622091|2.885787|2.543507|2.628241|3.136715|3.870645|5.142395|8.207930|8.013701|6.940718|7.940676|13.645861|14.990250|53.358707| |3.171784|3.063865|0.088349|2.468248|2.244983|1.933892|1.816711|1.927634|2.234508|4.574708|4.225687|9.147904|4.006107|8.970034|4.421617|3.351312|2.946676|3.115818|3.902700|5.046143|7.807956|12.144661|14.040913|8.046788|6.977291|7.928201|9.718506|19.311077|36.858105| |3.251265|2.980282|0.088429|2.417362|2.231426|1.921743|1.790148|1.880409|2.167313|4.050644|3.441487|7.556866|3.003713|5.927707|2.914985|2.412166|2.162954|2.231177|2.603795|3.082243|3.917122|6.736132|5.136628|4.521228|5.077222|7.782893|12.545454|17.641561|7.822681|36.858105| |3.582023|3.355890|0.104444|2.688087|2.524021|2.138473|1.950883|2.021998|2.338450|4.390481|3.697212|8.473620|3.074552|5.857558|2.795935|2.342575|2.073657|2.095237|2.394743|2.840840|3.449699|5.919921|4.260593|3.841148|4.246470|5.906329|10.327421|10.425806|5.799267|12.479789|36.858105| |2.993107|2.817464|0.087470|2.362660|2.276499|1.969082|1.795699|1.835569|2.077175|3.607569|2.916066|6.307359|2.493377|4.672234|2.301604|1.984747|1.790434|1.813613|2.041629|2.345856|2.771421|4.897357|3.232618|2.960441|3.226423|4.186370|7.760998|6.772827|4.117426|7.568576|12.530468|36.858105| |3.008482|2.914047|0.093114|2.480028|2.452916|2.115431|1.896288|1.907193|2.143953|3.638623|2.885013|6.195401|2.436742|4.459005|2.182979|1.908900|1.715567|1.716488|1.903941|2.178912|2.500360|4.402217|2.833685|2.630625|2.828072|3.481602|6.447050|5.347586|3.431675|5.119320|8.064840|13.676300|73.516695| |2.546555|2.469913|0.077448|2.177713|2.186205|1.930203|1.739968|1.734372|1.913550|3.083676|2.396131|4.958736|2.074110|3.775209|1.887458|1.679000|1.528890|1.532860|1.683855|1.890605|2.137186|3.804384|2.368031|2.217808|2.367082|2.830589|5.286018|4.246558|2.790719|3.925724|5.219304|8.143061|24.322877|36.858105| |4.510385|3.764496|0.095204|3.027289|2.525199|2.188150|2.162920|2.452727|2.957451|5.641494|4.462115|7.867919|4.134708|7.417922|3.721038|3.190116|2.778806|2.725952|3.022579|3.593925|3.817962|5.629000|5.103321|7.865907|13.250073|7.677702|11.968896|6.982094|4.570623|3.865957|3.426861|2.756340|4.415970|2.128930|36.858105| |4.383369|3.603864|0.088870|3.012526|2.488496|2.188720|2.207578|2.548122|3.058642|5.302750|3.934873|6.678793|3.700089|6.363748|3.272135|2.938015|2.597029|2.514337|2.704161|3.109890|3.181536|4.801385|3.959992|5.533584|7.402044|5.409369|9.350778|5.384209|3.591837|3.195966|2.918256|2.433123|3.970021|1.948132|16.759436|53.358707| |1.814569|1.890291|0.051448|1.728210|1.614329|1.490875|1.462227|1.544853|1.682485|2.986946|2.472311|4.215385|3.009002|6.235498|4.662013|5.297022|8.161303|14.321028|8.157275|5.295081|3.958064|6.665141|3.179792|3.067936|2.533669|2.214878|3.471186|3.099591|2.644310|1.976379|1.853852|1.633791|2.753297|1.399587|2.359299|3.010364|97.533100| |17.560433|8.827361|0.212702|6.866130|5.203979|4.036918|3.769121|4.276083|5.752251|7.599129|4.556451|8.158982|3.412145|5.306174|2.501072|2.280879|1.969391|1.855941|1.963506|2.273742|2.361668|3.780696|2.759690|3.060645|3.577912|3.768112|7.411685|4.393868|2.837366|3.071750|3.451605|3.001738|5.476971|2.647702|3.784299|5.079541|3.707698|0.500000| |17.603579|8.827349|0.217602|5.474818|4.223478|3.305737|3.090542|3.490113|4.628970|9.449691|6.313719|11.985975|4.357676|6.872350|3.108128|2.719767|2.300577|2.180137|2.357622|2.819502|2.992012|4.658529|3.691327|4.243582|5.269354|5.592349|10.722804|6.072729|3.795007|3.966555|4.358631|3.465703|6.010244|2.782214|5.378518|6.660183|4.275371|0.301155|0.500000| |17.575537|8.745476|0.173801|6.654177|4.571674|3.692131|3.679905|4.538124|6.581736|9.424217|5.281661|8.553185|4.046035|6.059172|2.857057|2.624439|2.237171|2.079763|2.183133|2.542244|2.574493|4.016417|3.033013|3.573215|4.229964|4.040741|7.608325|4.494179|2.967565|2.949523|3.112726|2.636698|4.635657|2.251420|4.898034|6.926268|4.117327|0.300930|0.301973|0.500000| |4.857202|7.030654|0.229551|8.919856|17.706462|8.932031|5.649746|4.962434|5.657637|7.236212|4.346128|7.410549|3.448480|5.163816|2.440916|2.309872|1.979984|1.819721|1.877591|2.149541|2.150971|3.522584|2.318488|2.395404|2.495235|2.533906|4.520109|3.310830|2.340017|2.352707|2.726387|2.467743|4.829793|2.405174|2.462569|3.243232|3.641783|0.136272|0.115818|0.114222|0.500000| |3.324560|4.091342|0.114765|5.629548|8.923401|17.714393|8.914320|5.652300|4.961018|4.778718|2.953161|4.930746|2.590978|3.960472|1.967237|1.930612|1.702631|1.560964|1.577284|1.751790|1.722879|2.854277|1.818160|1.887637|1.950114|1.948522|3.496883|2.540478|1.812109|1.812904|2.026173|1.893188|3.654109|1.898429|1.973302|2.671444|3.185962|0.095448|0.080141|0.086060|0.215994|0.500000| |3.082648|3.534414|0.091016|4.922866|5.641801|8.908730|17.716911|8.905076|5.641506|4.311011|2.619159|4.254798|2.384839|3.629745|1.844026|1.846870|1.647611|1.501798|1.497583|1.641868|1.592633|2.621046|1.682242|1.787583|1.855509|1.812261|3.266489|2.313730|1.648675|1.627097|1.762146|1.639663|3.076251|1.606048|1.940816|2.704932|3.089392|0.087515|0.073305|0.085718|0.124204|0.214594|0.500000| |3.751398|4.076530|0.096411|5.627971|4.963010|5.653183|8.909928|17.713833|8.929714|5.078589|2.957646|4.657488|2.701411|4.033046|2.049006|2.056896|1.822523|1.651064|1.643531|1.809674|1.742448|2.820473|1.869116|2.052046|2.160730|2.056826|3.718287|2.547946|1.802714|1.752087|1.857639|1.694457|3.102385|1.598167|2.350852|3.379995|3.377029|0.102944|0.086386|0.113378|0.107680|0.124152|0.214593|0.500000| |6.591024|6.927967|0.140202|8.881710|5.652284|4.960490|5.653018|8.956853|17.705203|8.371100|4.340544|6.547994|3.705498|5.309331|2.594427|2.527628|2.169890|1.962342|1.987759|2.253466|2.184613|3.453050|2.421900|2.755233|2.984250|2.783389|5.028297|3.322983|2.315988|2.222205|2.350401|2.068696|3.729012|1.866818|3.344960|4.843709|3.926866|0.161511|0.137373|0.226609|0.124080|0.107648|0.124331|0.216791|0.500000| |6.206566|8.985153|0.183840|7.515657|5.352325|4.216711|4.066857|4.813005|6.748060|26.064882|9.390248|10.855590|7.609969|8.843873|3.950691|3.774689|2.988826|2.608315|2.655179|3.161150|2.966448|4.530463|3.256330|3.695322|3.741899|3.333913|5.587336|4.092883|2.988993|2.616823|2.774841|2.331959|4.170492|2.026799|3.881295|5.155678|5.006350|0.132737|0.151456|0.174482|0.133652|0.097658|0.093423|0.115668|0.194743|0.500000| |3.693668|4.614223|0.123580|3.951811|3.542612|2.995734|2.797967|2.986838|3.523662|9.395961|8.902006|11.282617|17.535938|16.525529|6.794476|6.490674|4.439506|3.649700|3.686593|4.619352|3.958904|5.920347|3.921246|4.065028|3.599609|3.169658|4.989880|4.238284|3.404440|2.659845|2.771944|2.308388|4.086698|1.980864|3.354847|4.202546|6.611082|0.086487|0.103476|0.098778|0.099092|0.075675|0.068639|0.075321|0.097856|0.196103|0.500000| |4.124849|4.718409|0.116923|3.922969|3.283564|2.801098|2.725589|3.059357|3.717829|9.974465|8.832060|10.714934|17.540386|16.540359|7.235595|6.777486|4.639755|3.832294|3.890082|4.918716|4.161384|5.946850|4.395323|5.170227|4.548064|3.659889|5.684981|4.597606|3.621187|2.768644|2.772895|2.282876|3.940124|1.910690|4.464060|5.622317|6.887676|0.093067|0.117045|0.117317|0.088354|0.069403|0.066800|0.079022|0.110784|0.223678|0.300491|0.500000| |2.719686|3.056933|0.080748|2.768803|2.514208|2.260338|2.204917|2.370677|2.665964|5.436517|4.601896|6.860198|7.281991|12.552640|8.891705|17.759522|8.955363|5.684884|4.953880|5.622583|4.064919|6.059752|3.672806|3.844209|3.216754|2.721598|4.259579|3.646259|3.015172|2.273461|2.250848|1.919402|3.324335|1.649160|3.066600|3.924365|9.615940|0.065710|0.076975|0.076276|0.068997|0.058114|0.055983|0.062601|0.076606|0.119119|0.219911|0.217047|0.500000| |2.054390|2.206808|0.059084|2.046042|1.899026|1.756940|1.734402|1.844139|2.008935|3.616837|2.951518|4.765548|3.861129|7.437525|5.634878|8.874921|17.742364|8.977602|5.659745|4.945575|3.555832|5.636418|3.044077|3.091194|2.596817|2.235685|3.534785|3.042907|2.531870|1.934224|1.868852|1.634949|2.805144|1.418406|2.490447|3.233113|16.690920|0.051154|0.058520|0.058014|0.052272|0.045982|0.045061|0.049745|0.057852|0.077478|0.109735|0.113225|0.214982|0.500000| |2.026968|2.078048|0.057421|1.837400|1.707064|1.546253|1.495434|1.580034|1.751931|3.264715|2.818261|5.034746|3.328773|7.587715|5.632388|4.953208|5.657097|8.949698|17.753783|8.910278|7.155628|12.635142|4.836380|4.191495|3.245878|2.847489|4.297805|4.172656|3.824680|2.581912|2.336243|2.014418|3.311102|1.657960|2.818314|3.434669|16.643827|0.050929|0.060724|0.055899|0.048166|0.040720|0.038640|0.042165|0.050507|0.065236|0.086008|0.090190|0.107596|0.124706|0.500000| |3.354621|3.245784|0.085351|2.672263|2.318409|2.025398|1.976127|2.180736|2.558429|5.357263|4.800107|8.283469|5.458126|11.966443|6.726605|5.083346|4.286615|4.325509|5.171206|6.869866|6.780645|8.574797|8.801201|17.740235|9.084876|5.566445|7.619294|6.790565|5.696415|3.602994|3.177316|2.545146|4.108364|1.983309|7.261715|7.632820|7.783740|0.079291|0.105576|0.095407|0.064006|0.051550|0.049712|0.057820|0.077196|0.104714|0.117897|0.162174|0.122792|0.099002|0.125880|0.500000| |2.803491|2.764263|0.081081|2.274145|2.112561|1.833801|1.712582|1.794002|2.051827|4.071249|3.699830|7.971521|3.552469|7.900058|4.013698|3.111484|2.790457|2.989974|3.750677|4.670733|7.243259|13.482139|9.025906|5.677797|5.010962|5.699311|7.851270|12.609216|17.771349|7.411362|5.755608|4.276341|6.312160|2.903444|3.636122|4.067255|5.792794|0.071051|0.090928|0.072437|0.061793|0.048234|0.043422|0.046588|0.058351|0.074436|0.087117|0.088278|0.077780|0.067014|0.104774|0.124407|0.500000| |2.769339|2.605804|0.077225|2.163955|2.025128|1.765683|1.647236|1.718015|1.953979|3.590672|3.053113|6.552576|2.763587|5.561907|2.813657|2.336030|2.127762|2.230502|2.628519|3.059745|3.973976|7.207755|4.918218|4.090596|4.291699|5.794955|9.194903|12.551247|7.531059|17.590471|8.793300|6.823885|8.368282|3.776061|3.334417|3.821307|4.481871|0.073018|0.090789|0.070717|0.059408|0.046649|0.041894|0.044665|0.055413|0.065425|0.069022|0.070700|0.060582|0.052827|0.073791|0.092705|0.235024|0.500000| |3.168135|2.812151|0.082069|2.314001|2.127371|1.848524|1.737568|1.833393|2.104394|3.752547|3.081722|6.518404|2.701375|5.205873|2.604409|2.201394|1.994546|2.054372|2.364088|2.738327|3.365261|5.766970|4.329501|4.082921|4.818442|7.488942|14.217369|12.570216|5.890613|17.665060|8.812157|6.906051|8.374144|3.794443|3.867785|4.423538|4.141685|0.084678|0.106799|0.080971|0.061662|0.048384|0.044017|0.047759|0.060349|0.068118|0.066713|0.070738|0.058005|0.050005|0.065402|0.092523|0.151223|0.302333|0.500000| |4.416400|3.983147|0.125289|3.088115|2.850868|2.371978|2.156204|2.251567|2.648760|5.010477|4.127105|9.578238|3.268756|6.001080|2.808760|2.370944|2.075782|2.065737|2.329887|2.775256|3.265122|5.435420|4.085434|3.918940|4.542019|6.403836|12.085546|9.556804|5.188457|8.872358|17.602495|8.916692|12.963997|4.861051|3.764925|4.374977|4.099395|0.118819|0.155910|0.102969|0.085400|0.061735|0.053563|0.057029|0.074033|0.086198|0.081101|0.082325|0.064123|0.052175|0.062330|0.090533|0.133627|0.173393|0.210956|0.500000| |3.470952|3.429756|0.109034|2.742228|2.607142|2.196888|1.984023|2.039933|2.355481|4.603647|4.012543|9.535474|3.346408|6.491155|3.048118|2.522250|2.212647|2.230934|2.563746|3.084109|3.773688|6.534263|4.514023|3.885426|4.054956|5.197793|8.490048|9.428357|6.117947|8.835800|17.556343|8.913317|13.146307|4.879383|3.245201|3.768389|4.404762|0.091333|0.114800|0.083533|0.079370|0.058087|0.049723|0.051787|0.065130|0.080323|0.084586|0.081544|0.067161|0.055079|0.069029|0.089902|0.179142|0.211743|0.173227|0.303144|0.500000| |2.594073|2.481907|0.076175|2.115456|2.050821|1.796376|1.646443|1.677987|1.879890|3.249450|2.646340|5.634278|2.331066|4.444261|2.230765|1.926321|1.757240|1.799732|2.036812|2.314694|2.763206|5.019000|3.143625|2.804989|2.972562|3.746931|6.711175|6.276385|4.027048|6.929665|8.811389|17.452913|16.573108|7.283017|2.528821|3.045685|3.670638|0.071615|0.082148|0.064646|0.061537|0.048264|0.042054|0.043281|0.052060|0.059105|0.060374|0.059342|0.051353|0.044559|0.056478|0.067412|0.122135|0.205043|0.172409|0.173631|0.210754|0.500000| |2.942146|2.685773|0.081742|2.275996|2.177188|1.899363|1.749765|1.798364|2.029125|3.399590|2.689673|5.670200|2.310779|4.284385|2.133233|1.858120|1.686939|1.708983|1.911838|2.174247|2.539977|4.456857|2.982052|2.813995|3.145019|4.119809|8.095595|6.283888|3.711852|6.866852|8.834490|17.475772|16.560253|7.320889|2.751131|3.339650|3.486093|0.083338|0.094408|0.072813|0.064683|0.050593|0.044512|0.046394|0.056523|0.061586|0.059253|0.059779|0.050034|0.043002|0.052547|0.067621|0.103908|0.167317|0.205592|0.213788|0.173816|0.301329|0.500000| |2.275470|2.224614|0.068991|1.973884|1.980898|1.765217|1.601231|1.596346|1.750952|2.835773|2.224825|4.575208|1.965002|3.624319|1.834388|1.632856|1.498912|1.514532|1.668791|1.859269|2.113466|3.823774|2.308296|2.130018|2.239705|2.652828|4.864129|4.061786|2.728283|3.765880|4.728606|7.218706|16.460581|17.500324|2.002367|2.491145|3.126457|0.064836|0.068933|0.056644|0.060200|0.048375|0.041282|0.041087|0.047613|0.052200|0.052304|0.050303|0.044292|0.038623|0.045995|0.053045|0.080619|0.105481|0.100285|0.116567|0.126423|0.216619|0.176772|0.500000| |2.508661|2.376217|0.073322|2.109163|2.100669|1.867895|1.700268|1.703496|1.875105|2.943133|2.257215|4.609287|1.957792|3.544177|1.782482|1.593671|1.456928|1.461346|1.600216|1.787086|2.011605|3.561313|2.246214|2.138473|2.316202|2.782679|5.335022|4.072325|2.628478|3.761715|4.745150|7.219341|16.463468|17.505555|2.112454|2.650584|3.013833|0.073425|0.075993|0.062099|0.063343|0.050856|0.043707|0.043832|0.051101|0.054042|0.051697|0.050693|0.043523|0.037654|0.043849|0.053255|0.074753|0.099162|0.105866|0.127206|0.117227|0.175337|0.217896|0.299513|0.500000| 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