Version2.0 2020-04-13T09:27:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 11-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H]1CCc2c(sc(c2C#N)NC(=O)CN3CCN(CC3)S(=O)(=O)c4ccc(cc4)C(C)(C)C)C1 C39971998 RHF 6-31G(d) (6D,7F) CC[C@@H]1CCc2c(sc(c2C#N)NC(=O)CN3CCN(CC3)S(=O)(=O)c4ccc(cc4)C(C)(C)C)C1 C01[X(C27H36N4O3S2)] 210 C1 620 CC[C@@H]1CCc2c(C1)sc(c2C#N)NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C CC[C@@H]1CCc2c(C1)sc(c2C#N)NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C CC[C@@H]1CCc2c(C1)sc(NC(=O)CN3CCN(CC3)[S](=O)(=O)c4ccc(cc4)C(C)(C)C)c2C#N InChIKey=RWVNKZRGRZRYNK-LJQANCHMSA-N InChI=1S/C27H36N4O3S2/c1-5-19-6-11-22-23(17-28)26(35-24(22)16-19)29-25(32)18-30-12-14-31(15-13-30)36(33,34)21-9-7-20(8-10-21)27(2,3)4/h7-10,19H,5-6,11-16,18H2,1-4H3,(H,29,32)/t19-/m1/s1 InChI=1/C27H36N4O3S2/c1-5-19-6-11-22-23(17-28)26(35-24(22)16-19)29-25(32)18-30-12-14-31(15-13-30)36(33,34)21-9-7-20(8-10-21)27(2,3)4/h7-10,19H,5-6,11-16,18H2,1-4H3,(H,29,32)/t19-/m1/s1/f/h29H CC[C@@H]1CCc2c(sc(c2C#N)NC(=O)CN3CCN(CC3)S(=O)(=O)c4ccc(cc4)C(C)(C)C)C1 C01[X(C27H36N4O3S2)] 210 C01 620 CC[C@@H]1CCc2c(C1)sc(c2C#N)NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C CC[C@@H]1CCC2=C(C1)S[C@H]([C@H]2C#N)NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C CC[C@@H]1CCC2=C(C1)S[C@@H](NC(=O)CN3CCN(CC3)[S](=O)(=O)c4ccc(cc4)C(C)(C)C)[C@H]2C#N InChIKey=YYIAMRMRBPLLTR-FRPAHBMMSA-N InChI=1S/C27H38N4O3S2/c1-5-19-6-11-22-23(17-28)26(35-24(22)16-19)29-25(32)18-30-12-14-31(15-13-30)36(33,34)21-9-7-20(8-10-21)27(2,3)4/h7-10,19,23,26H,5-6,11-16,18H2,1-4H3,(H,29,32)/t19-,23+,26-/m1/s1 InChI=1/C27H38N4O3S2/c1-5-19-6-11-22-23(17-28)26(35-24(22)16-19)29-25(32)18-30-12-14-31(15-13-30)36(33,34)21-9-7-20(8-10-21)27(2,3)4/h7-10,19,23,26H,5-6,11-16,18H2,1-4H3,(H,29,32)/t19-,23+,26-/m1/s1/f/h29H 4050.6632936775 -2280.7523746 1-A 43056.7114 141 479 620 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4624.62 4630.49 4632.65 4656.97 4665.61 4665.63 4673.48 4688.19 4691.26 4694.20 4697.45 4699.46 4707.68 4709.91 4714.61 4718.61 4723.55 4796.77 4798.15 4870.09 4894.12 4906.69 4920.59 5518.87 0.649464 0.683107 0.684051 0.579529 -2280.102911 -2280.069268 -2280.068324 -2280.172846 3.505685D-04 MUNgauss RevisionA2.0 retrievium 13-Apr-2020 DUDE CC[C@@H]1CCc2c(sc(c2C#N)NC(=O)CN3CCN(CC3)S(=O)(=O)c4ccc(cc4)C(C)(C)C)C1 C39971998 RHF 6-31G(d) (6D,10F) C1 528.222885 |X|Y|Z| 197.769842 55.623737 29.151154 68.447668 25 6 7 16 20 3 2 |36.858105| |12.453576|36.858105| |7.379691|12.417083|36.858105| |6.825102|8.903208|17.482499|0.500000| |4.856153|7.528977|12.406728|0.247607|36.858105| |3.719514|4.884309|7.472886|0.194473|12.435226|36.858105| |3.586952|4.375001|6.646185|0.173250|7.628424|12.651845|36.858105| |4.188813|4.929058|7.613387|0.187750|6.788824|7.625329|14.228683|36.858105| |3.290934|3.533968|4.591413|0.121422|4.196618|4.725597|7.399764|10.906754|388.023441| |2.726853|3.011090|3.893891|0.105942|3.965835|5.040208|8.127327|7.674184|78.325740|36.858105| |2.854604|3.290493|4.435144|0.120875|4.914855|7.262695|13.170969|8.253448|52.944528|14.012272|36.858105| |2.434562|2.794146|3.574303|0.099152|4.133013|6.061699|7.457329|5.186348|34.402138|7.819404|13.307689|36.858105| |2.158562|2.455317|3.026933|0.084541|3.506632|4.842824|5.262252|3.972150|26.851427|5.504617|7.414243|16.730376|53.358707| |2.290224|2.472662|3.037526|0.083589|3.099834|3.790569|5.194353|4.949472|49.123487|13.778613|7.856749|6.593048|7.201594|53.358707| |2.128376|2.238241|2.661193|0.073195|2.637304|3.055405|3.972227|4.073946|42.487712|7.751686|5.140312|4.472513|5.274944|18.902639|36.858105| |2.242389|2.316493|2.726596|0.074566|2.619274|2.933569|3.814607|4.190716|47.571503|6.732664|4.550193|3.783685|4.441928|11.533883|15.960601|73.516695| |1.821427|1.907726|2.215577|0.061297|2.226649|2.558248|3.129989|3.108235|28.769122|5.063660|3.941601|3.800529|4.822426|10.695457|12.462597|14.032699|36.858105| |1.682889|1.735228|1.972709|0.054550|1.955090|2.183680|2.606565|2.654251|24.200849|3.837095|3.101502|2.964868|3.808702|6.972460|7.548128|11.811115|13.308264|53.358707| |1.652406|1.700885|1.909056|0.052061|1.889972|2.070842|2.455464|2.542037|23.109456|3.479893|2.842738|2.678753|3.426267|5.933980|6.084178|10.781460|7.788860|17.839841|36.858105| |1.481821|1.511024|1.668399|0.045671|1.645928|1.778946|2.057540|2.128598|18.610838|2.734164|2.321686|2.218497|2.883629|4.435147|4.160921|7.528076|5.098032|10.666842|12.519609|36.858105| |1.477157|1.488158|1.637660|0.045231|1.594179|1.714524|1.978198|2.065726|18.063339|2.593450|2.205485|2.090750|2.707843|4.129173|3.859565|7.233497|4.522593|9.262406|7.843019|13.025721|53.358707| |1.501969|1.513745|1.680355|0.046925|1.634926|1.779026|2.057369|2.128386|18.607135|2.734190|2.321869|2.218945|2.884346|4.435246|4.160948|7.527902|5.098139|10.667153|6.644077|7.772771|17.729178|36.858105| |1.680019|1.704720|1.926738|0.053909|1.873652|2.070970|2.455189|2.541707|23.102882|3.479957|2.843066|2.679505|3.427404|5.934181|6.084279|10.781353|7.788869|17.839931|7.905942|6.644138|10.675566|12.519661|36.858105| |1.350076|1.349193|1.462897|0.040408|1.419263|1.505830|1.707368|1.786607|15.184728|2.138309|1.863642|1.773593|2.311418|3.285378|2.914807|5.489442|3.253958|5.843645|4.837847|7.147490|15.783298|7.145871|4.837480|388.023441| |1.355754|1.342065|1.450831|0.040352|1.394154|1.473509|1.665932|1.752851|14.828826|2.059377|1.801736|1.706208|2.217626|3.118048|2.734946|5.213653|2.966264|5.118806|3.936236|4.992075|10.513764|6.551955|4.564869|94.742570|73.516695| |1.340956|1.340433|1.443301|0.039541|1.401338|1.473713|1.666351|1.753397|14.835026|2.059798|1.801961|1.706206|2.217478|3.118565|2.735537|5.215456|2.966528|5.119144|4.565407|6.550968|10.514068|4.991931|3.936923|94.745496|13.589923|73.516695| |1.219076|1.224954|1.324975|0.036682|1.298983|1.382979|1.547371|1.593139|13.225195|1.905845|1.693986|1.645612|2.178360|2.933173|2.524075|4.569156|2.901115|5.032004|3.960563|5.658537|9.425922|5.654549|3.959223|76.451768|13.097822|13.095467|36.858105| |1.175271|1.178662|1.274675|0.035518|1.249101|1.332751|1.482359|1.518074|12.476503|1.808496|1.621430|1.586233|2.111658|2.774214|2.352472|4.213267|2.704720|4.562593|3.362403|4.365746|7.305051|5.249536|3.712762|49.353443|11.489756|8.838254|13.715507|36.858105| |1.093075|1.099610|1.185772|0.033053|1.169062|1.247497|1.374627|1.396244|11.306478|1.652835|1.501462|1.485186|1.995429|2.523084|2.095573|3.700358|2.410244|3.923323|2.868980|3.572183|5.459532|4.004678|3.075096|33.636875|7.853952|6.836604|7.960511|13.809960|36.858105| |1.052399|1.063066|1.143528|0.031734|1.133920|1.208082|1.325840|1.342134|10.802579|1.584289|1.447101|1.438083|1.939902|2.413265|1.987994|3.492430|2.285988|3.672155|2.757873|3.441750|4.904645|3.439095|2.756496|29.617702|6.530623|6.531215|6.798617|7.851424|13.627038|36.858105| |1.084750|1.097789|1.180667|0.032590|1.171871|1.246159|1.373128|1.394856|11.294460|1.650553|1.499448|1.482965|1.992275|2.518951|2.091906|3.694801|2.404848|3.913327|3.068605|3.994948|5.446700|3.561773|2.861866|33.599531|6.835244|7.848373|7.948261|6.891204|7.995524|13.699043|36.858105| |1.165403|1.176924|1.268884|0.034958|1.253089|1.331681|1.481203|1.517117|12.468566|1.806598|1.619713|1.584212|2.108706|2.770530|2.349216|4.208954|2.699398|4.552277|3.705427|5.236426|7.294358|4.356831|3.356313|49.440823|8.859367|11.511360|13.780387|7.943477|6.904490|7.860649|13.734659|36.858105| |0.977142|0.988624|1.059911|0.029443|1.055349|1.123150|1.221410|1.229039|9.759597|1.436805|1.328269|1.330729|1.808122|2.171338|1.756357|3.063972|2.001612|3.114051|2.310371|2.749266|3.831052|2.753577|2.312853|22.166876|5.074537|5.062648|4.389921|4.981301|7.499489|12.387432|7.404161|4.947826|36.858105| |0.931264|0.937598|1.000125|0.027833|0.991649|1.049684|1.136622|1.147572|9.061690|1.321122|1.225884|1.223422|1.658536|1.974948|1.589104|2.796537|1.777795|2.737687|2.026068|2.371534|3.383124|2.444172|2.070004|20.004920|4.778197|4.602773|3.770058|4.385519|6.225582|7.579131|5.282848|4.009802|12.359777|36.858105| |0.944174|0.958288|1.024477|0.028344|1.024624|1.087727|1.178291|1.183314|9.343211|1.376041|1.278413|1.284028|1.748802|2.070490|1.662326|2.895581|1.882825|2.890910|2.185148|2.573478|3.456663|2.428562|2.095737|19.712858|4.429599|4.711498|3.700866|3.825616|4.939756|7.457708|6.594495|4.457316|12.400437|7.650954|36.858105| |0.978417|0.993043|1.068735|0.029788|1.068230|1.143793|1.241122|1.239587|9.803750|1.460928|1.357153|1.372540|1.878532|2.218453|1.780322|3.064868|2.051221|3.148814|2.269862|2.627406|3.641714|2.727027|2.332019|20.029273|4.655853|4.493377|3.769066|4.385534|6.232460|7.579517|5.267189|4.001090|12.359948|7.564850|7.652185|36.858105| |6.139594|7.465836|12.375903|0.247571|7.564826|6.286428|7.527271|12.656343|47.599957|4.810555|5.060808|3.766508|4.218477|4.890317|3.175437|5.968681|2.541298|3.071386|2.200462|1.893091|2.526063|1.892936|2.200250|11.666627|2.885417|2.886333|1.463649|1.396902|1.287929|1.239377|1.286852|1.396257|1.139202|1.071701|1.099088|1.143578|36.858105| |17.553377|8.802697|5.428325|0.140956|4.062941|3.171890|3.019480|3.415884|19.865971|2.371143|2.475167|2.159757|2.645821|2.766951|1.906097|3.560319|1.655328|2.099228|1.522383|1.377867|1.869724|1.391041|1.539921|9.003973|2.261433|2.243705|1.148254|1.107880|1.033719|0.997522|1.027823|1.101059|0.929074|0.887920|0.899723|0.928964|4.636688|0.500000| |17.559921|8.724449|6.548861|0.163671|4.404126|3.520637|3.588619|4.406809|25.534855|2.847607|2.894358|2.427628|2.910273|3.253581|2.251716|4.292957|1.907931|2.412946|1.752953|1.568539|2.132497|1.584393|1.774811|10.176539|2.556919|2.536099|1.280897|1.229565|1.138001|1.094392|1.131536|1.221967|1.011740|0.963974|0.976828|1.009355|6.672212|0.302714|0.500000| |17.533396|8.768458|6.761485|0.204408|4.514694|3.646440|3.521135|4.043328|22.934158|2.707916|2.836408|2.434100|2.945987|3.110629|2.123282|3.963778|1.822548|2.291292|1.635730|1.470054|2.009046|1.514144|1.696064|9.591266|2.422653|2.364649|1.219666|1.182154|1.099459|1.054368|1.081993|1.160902|0.979538|0.935043|0.943108|0.983420|5.566897|0.301854|0.301570|0.500000| |8.850737|17.501489|8.848541|0.174170|6.890942|4.514199|4.114972|4.639397|24.336017|2.914196|3.155222|2.692639|3.234219|3.282357|2.195623|4.049309|1.876608|2.331507|1.698899|1.509848|2.009792|1.488258|1.668833|9.539274|2.358772|2.386849|1.217653|1.165982|1.088484|1.056716|1.095818|1.175593|0.982697|0.930976|0.956215|0.984275|6.793381|0.211188|0.211671|0.172815|0.500000| |8.896147|17.522502|8.902725|0.214506|7.063064|4.650407|3.912870|4.116888|21.665484|2.716782|3.019411|2.654104|3.232465|3.089602|2.049391|3.723086|1.774729|2.198843|1.577134|1.410042|1.890232|1.417101|1.586875|8.989070|2.236480|2.227987|1.156878|1.117692|1.047751|1.014220|1.044209|1.113819|0.947464|0.899769|0.919331|0.954206|5.482742|0.217032|0.173030|0.209284|0.304153|0.500000| |4.487338|6.798103|8.851649|0.174392|17.508215|8.852339|6.663289|6.245704|29.050186|3.824621|4.600431|3.896830|4.542786|4.121867|2.601908|4.613575|2.202209|2.643516|1.905220|1.657853|2.166756|1.615229|1.842344|10.094140|2.463013|2.511640|1.298328|1.241372|1.162286|1.132596|1.176346|1.259210|1.053738|0.988664|1.027469|1.063074|6.972757|0.107743|0.117138|0.110853|0.203917|0.171400|0.500000| |4.606181|7.058616|8.814418|0.210768|17.544472|8.858001|5.564375|4.949722|24.242375|3.304308|4.026884|3.620253|4.361251|3.661956|2.320408|4.077277|2.004591|2.417164|1.714773|1.510767|1.997332|1.507142|1.709574|9.363991|2.305145|2.309713|1.214164|1.172598|1.102854|1.070988|1.103256|1.173544|1.001751|0.943848|0.973734|1.015742|5.501577|0.111670|0.111052|0.121121|0.175987|0.219460|0.303280|0.500000| |3.163698|4.065538|5.478341|0.140865|8.811938|17.543080|8.907570|5.803491|29.141231|4.635022|6.708964|6.462624|7.359249|4.972205|2.932960|4.915297|2.512419|2.908850|2.035369|1.750958|2.273325|1.726454|1.997784|10.438789|2.535549|2.560744|1.359148|1.308301|1.230789|1.198395|1.237970|1.317524|1.118048|1.041931|1.087558|1.140813|4.856233|0.077373|0.083684|0.085284|0.109316|0.110468|0.219963|0.207503|0.500000| |3.559318|4.482219|6.521102|0.197667|8.805968|17.509895|8.943239|6.121740|29.744388|4.543527|6.330932|5.765229|6.555451|4.838899|2.890498|4.903810|2.461945|2.869739|1.972450|1.708730|2.262081|1.743019|2.024796|10.410350|2.563434|2.528423|1.351240|1.311948|1.230926|1.187809|1.217736|1.296434|1.107432|1.037437|1.068918|1.132530|5.275205|0.084831|0.091923|0.100931|0.110543|0.123610|0.174035|0.219717|0.304242|0.500000| |2.124766|2.310891|2.815171|0.077942|2.952425|3.677458|4.767149|4.268301|37.299224|9.421313|7.367762|7.590593|8.820471|25.983029|9.320810|10.859351|7.601866|6.601953|4.048673|3.103486|3.894954|3.103686|4.049036|16.328121|3.857301|3.857635|2.099786|2.001818|1.842253|1.770445|1.839000|1.998787|1.605222|1.453530|1.533991|1.655981|3.196215|0.052824|0.060796|0.059053|0.062605|0.059839|0.079957|0.072407|0.101609|0.097401|0.500000| |1.757611|1.861508|2.154139|0.059024|2.208025|2.544957|3.070738|2.984578|26.579381|4.790906|3.895280|3.901778|5.069221|9.799713|8.958435|10.952510|17.523821|12.590307|7.158582|4.823699|5.469081|4.274636|5.673376|21.328380|4.770767|4.990507|2.753031|2.547143|2.314593|2.243541|2.383193|2.642137|1.984460|1.748831|1.895238|2.037751|2.445469|0.044571|0.050894|0.048516|0.051280|0.048315|0.061328|0.055365|0.070854|0.067409|0.213961|0.500000| |1.781487|1.865124|2.172448|0.060961|2.189215|2.545113|3.070323|2.984162|26.571782|4.790959|3.895853|3.903438|5.071877|9.800186|8.958410|10.952178|17.523776|12.590323|5.673381|4.274554|5.469105|4.823836|7.158484|21.327907|4.990381|4.770998|2.752711|2.647721|2.388473|2.243015|2.309107|2.541984|1.985605|1.768940|1.851916|2.069690|2.445237|0.044981|0.051393|0.049975|0.050503|0.048576|0.059362|0.055201|0.069375|0.069372|0.214010|0.304097|0.500000| |1.770303|1.812276|2.032960|0.055130|1.987638|2.155621|2.587006|2.747880|25.798523|3.685334|2.947484|2.690256|3.374353|6.068990|6.366433|12.963077|6.664993|12.240399|17.540432|8.886115|9.506631|5.776975|7.026086|32.947260|6.949905|8.131306|3.590273|3.060912|2.603101|2.491032|2.760222|3.332690|2.104776|1.880829|1.997022|2.049849|2.387670|0.045159|0.052692|0.048485|0.050414|0.046270|0.055845|0.049729|0.058287|0.056606|0.109848|0.165076|0.137862|0.500000| |1.627867|1.693994|1.901836|0.051482|1.911441|2.102054|2.479695|2.529392|22.533901|3.486665|2.893635|2.770427|3.573961|5.958262|5.723947|9.536688|7.326536|12.495670|17.552399|8.943579|7.719289|4.972383|5.705493|28.467515|5.843769|7.020462|3.504894|3.001652|2.650653|2.619051|2.939122|3.449696|2.235912|1.947935|2.158191|2.206485|2.179766|0.041744|0.047765|0.044513|0.047299|0.043743|0.053979|0.048183|0.058136|0.055203|0.116059|0.224943|0.148288|0.300678|0.500000| |1.453931|1.479802|1.619599|0.044052|1.596153|1.705967|1.960691|2.042352|17.684511|2.541074|2.178730|2.070643|2.686643|4.005538|3.649492|6.770829|4.178845|7.711631|8.894266|17.662471|12.482656|5.662481|4.990596|49.437266|8.417529|13.988644|5.386392|4.009986|3.337546|3.312373|3.987839|5.350815|2.661819|2.316536|2.547773|2.483579|1.839397|0.037712|0.042882|0.039849|0.041332|0.038313|0.044971|0.040735|0.046717|0.045278|0.077492|0.113377|0.098275|0.219047|0.212091|0.500000| |1.394816|1.428686|1.575956|0.043246|1.568885|1.703560|1.949010|1.985598|16.983149|2.553936|2.209973|2.156931|2.847632|4.159447|3.761124|6.502151|4.821172|9.549244|8.874436|17.500352|12.299897|6.923159|5.773412|43.833953|7.879837|9.781008|5.978027|4.674143|3.957706|3.913747|4.605355|5.889888|3.093818|2.582695|2.898349|2.986367|1.765600|0.036128|0.040729|0.038499|0.039626|0.037268|0.043848|0.040233|0.046923|0.045657|0.083204|0.132418|0.116861|0.174183|0.219311|0.299425|0.500000| |1.486501|1.484107|1.638182|0.046001|1.579266|1.706060|1.960407|2.041994|17.678708|2.541053|2.178946|2.071227|2.687589|4.005570|3.649418|6.770381|4.178848|7.711638|4.990413|5.662477|12.482529|17.662449|8.894036|49.420755|13.990105|8.418133|5.380820|5.358006|3.993725|3.308485|3.329470|4.005421|2.668516|2.434417|2.322312|2.630221|1.839122|0.038309|0.043598|0.041828|0.040374|0.038625|0.043149|0.040580|0.045709|0.046698|0.077498|0.098275|0.113379|0.130468|0.109463|0.127713|0.141832|0.500000| |1.412695|1.431172|1.586717|0.044377|1.558806|1.703706|1.948945|1.985499|16.980969|2.554112|2.210262|2.157491|2.848528|4.159849|3.761472|6.502486|4.821864|9.551026|5.774029|6.923360|12.299118|17.500275|8.875310|43.821073|9.784650|7.877211|5.972216|5.915363|4.621140|3.909300|3.942150|4.658933|3.100186|2.683522|2.684296|3.145195|1.765527|0.036456|0.041112|0.039589|0.039089|0.037449|0.042762|0.040140|0.046275|0.046560|0.083216|0.116877|0.132438|0.132696|0.129874|0.141830|0.203077|0.299407|0.500000| |1.674004|1.700539|1.932185|0.054668|1.882758|2.102316|2.479253|2.528885|22.523989|3.486858|2.894283|2.771897|3.576219|5.958761|5.724278|9.536899|7.326672|12.495652|5.705476|4.972286|7.719369|8.943589|17.552391|28.464542|7.020350|5.844340|3.503224|3.456934|2.944945|2.616973|2.643816|2.996018|2.239738|2.016272|2.016020|2.307088|2.179452|0.042559|0.048762|0.047322|0.045883|0.044210|0.050915|0.047928|0.056230|0.057836|0.116080|0.148288|0.224943|0.142991|0.127887|0.109464|0.129856|0.212096|0.219322|0.500000| |1.806576|1.817184|2.055687|0.057486|1.967471|2.155730|2.586601|2.747374|25.788072|3.685289|2.947788|2.690993|3.375424|6.068968|6.366225|12.962260|6.664714|12.240281|7.026256|5.777422|9.507560|8.886134|17.540389|32.946509|8.128497|6.952852|3.589335|3.336667|2.764593|2.490002|2.598095|3.057487|2.106802|1.918117|1.924005|2.098267|2.387338|0.045792|0.053513|0.050675|0.049337|0.046609|0.053682|0.049554|0.057074|0.058319|0.109854|0.137860|0.165065|0.206604|0.142991|0.130482|0.132693|0.219031|0.174190|0.300676|0.500000| |1.205648|1.203730|1.303095|0.036472|1.269746|1.354846|1.509540|1.551101|12.779612|1.842213|1.647772|1.604773|2.128831|2.817100|2.393643|4.317645|2.721681|4.569900|3.269148|4.072136|7.212732|5.629361|3.913191|47.074447|13.153571|8.152312|8.909727|17.751514|8.930518|5.609515|4.964526|5.652321|4.076557|3.797133|3.206908|3.787812|1.428909|0.031525|0.035061|0.033820|0.032947|0.031689|0.034900|0.033105|0.036758|0.037185|0.056191|0.069868|0.074869|0.084069|0.079773|0.102379|0.116268|0.175647|0.170572|0.103010|0.098750|0.500000| |1.062362|1.067167|1.149643|0.032167|1.132892|1.209192|1.326258|1.343452|10.800094|1.580884|1.445224|1.434686|1.933651|2.401074|1.973416|3.473121|2.253767|3.592717|2.568746|3.073938|4.702462|3.601511|2.847823|27.899484|6.907118|5.750420|5.676839|9.025241|17.740958|8.871731|5.663012|4.970576|6.980516|6.554942|4.506242|6.554645|1.242061|0.027935|0.030639|0.029776|0.029262|0.028323|0.031183|0.029779|0.033112|0.033296|0.048873|0.059927|0.062992|0.065303|0.066161|0.079442|0.093219|0.102336|0.115090|0.077709|0.071506|0.217855|0.500000| |1.049438|1.064855|1.142081|0.031434|1.138186|1.207754|1.324760|1.342239|10.790549|1.578580|1.443031|1.432005|1.929600|2.396735|1.969887|3.468603|2.248138|3.583373|2.842405|3.594846|4.696254|3.066781|2.562992|27.917746|5.756778|6.917308|5.681055|4.966674|5.658458|8.881987|17.775996|9.017900|6.814785|4.910186|7.616380|4.882256|1.241225|0.027683|0.030368|0.029001|0.029615|0.028177|0.031842|0.029815|0.033459|0.032715|0.048769|0.062824|0.059761|0.071427|0.077549|0.102281|0.114696|0.079306|0.092884|0.065992|0.065204|0.107811|0.123916|0.500000| |1.186793|1.200313|1.292026|0.035413|1.277084|1.352727|1.507209|1.549084|12.762383|1.838413|1.644404|1.600941|2.123354|2.809893|2.387145|4.308452|2.711669|4.550550|3.895870|5.595248|7.190052|4.058873|3.258879|47.162833|8.173672|13.206704|8.934070|5.650461|4.971336|5.617171|8.912071|17.750734|4.045383|3.382075|3.915137|3.366467|1.427491|0.031162|0.034654|0.032697|0.033447|0.031483|0.035825|0.033151|0.037230|0.036381|0.056032|0.074566|0.069620|0.098461|0.102509|0.174779|0.169001|0.102200|0.115742|0.079532|0.083891|0.124283|0.107876|0.218057|0.500000| |0.925530|0.929880|0.988920|0.027466|0.978370|1.031373|1.117105|1.132579|8.949461|1.294959|1.199890|1.191531|1.609380|1.927342|1.553975|2.755606|1.723297|2.659473|1.997025|2.352351|3.361706|2.376663|2.011571|20.403592|4.867184|4.797609|3.816415|4.267120|5.652449|6.907474|5.369649|4.137463|8.740994|17.555600|6.912069|5.485681|1.061672|0.024546|0.026665|0.025771|0.025694|0.024757|0.027148|0.025853|0.028409|0.028251|0.039207|0.047070|0.047248|0.051945|0.053282|0.064866|0.070266|0.065997|0.071158|0.053900|0.052298|0.102308|0.154543|0.141429|0.098275|0.500000| |0.888452|0.895470|0.953363|0.026540|0.947556|1.002225|1.079840|1.086822|8.521440|1.244723|1.162191|1.164500|1.584286|1.853000|1.477896|2.592100|1.645963|2.499528|1.842977|2.118305|2.985874|2.171327|1.876960|17.280093|4.147145|4.027042|3.119711|3.534495|4.682696|5.501538|4.227487|3.322007|8.778925|17.543745|7.073734|6.904689|1.016998|0.023572|0.025484|0.024782|0.024702|0.023931|0.026241|0.025121|0.027689|0.027551|0.038017|0.045203|0.045667|0.047666|0.049631|0.057570|0.063918|0.059959|0.065941|0.051133|0.048475|0.087635|0.139130|0.114634|0.080464|0.301164|0.500000| |0.944198|0.948203|1.012262|0.028255|1.000614|1.059857|1.148675|1.161127|9.179791|1.336268|1.238445|1.233989|1.670604|1.997012|1.609214|2.837108|1.797508|2.772120|2.025620|2.359428|3.443247|2.536858|2.132590|20.412287|5.019146|4.586056|3.812054|4.712623|6.806765|6.844488|4.710715|3.813828|8.690013|17.574823|5.511671|6.868514|1.084584|0.024987|0.027149|0.026404|0.026084|0.025275|0.027629|0.026457|0.029139|0.029176|0.040764|0.048665|0.050004|0.052386|0.053551|0.063329|0.070727|0.071392|0.077496|0.058157|0.054920|0.117285|0.228805|0.116325|0.088653|0.301909|0.302192|0.500000| |0.968923|0.987312|1.058426|0.029229|1.062774|1.131821|1.227932|1.229264|9.720491|1.441753|1.338798|1.349687|1.842787|2.181663|1.751594|3.029851|2.003355|3.074312|2.335149|2.750842|3.592928|2.512447|2.186243|19.958839|4.392581|4.798561|3.707865|3.703271|4.579022|6.726673|6.694300|4.589777|8.710182|5.508649|17.555086|6.938720|1.136695|0.025613|0.027836|0.026843|0.027402|0.026300|0.029655|0.028018|0.031530|0.030832|0.045085|0.056612|0.054539|0.058623|0.064886|0.075537|0.087888|0.065540|0.077693|0.058220|0.055337|0.086125|0.113636|0.230900|0.114556|0.140558|0.142990|0.122260|0.500000| |0.900295|0.914078|0.975185|0.027008|0.976956|1.036140|1.116454|1.118019|8.762324|1.291750|1.207974|1.217851|1.664511|1.933633|1.538169|2.673265|1.730872|2.618511|1.961565|2.259447|3.039565|2.165187|1.899915|17.103124|3.918645|4.096914|3.083198|3.230864|4.074444|5.466440|4.803332|3.558983|8.836627|7.046454|17.560967|7.060062|1.041112|0.023874|0.025809|0.024998|0.025325|0.024424|0.027193|0.025869|0.028817|0.028343|0.039919|0.048483|0.047594|0.050103|0.054036|0.062003|0.069921|0.057901|0.066144|0.051256|0.048682|0.077805|0.108959|0.148431|0.088969|0.171379|0.215851|0.143246|0.302445|0.500000| 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