Version2.0 2020-07-18T18:04:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)C(=O)N2CCC3(CC2)N([C@@H](CO3)C(=O)NCC[NH+](C)C)C(=O)c4ccccc4C C35639843 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)C(=O)N2CCC3(CC2)N([C@@H](CO3)C(=O)NCC[NH+](C)C)C(=O)c4ccccc4C C01[X(C28H37N4O4)] 213 C1 614 Cc1ccc(cc1)C(=O)N1CCC2(CC1)OC[C@H](N2C(=O)c1ccccc1C)C(=O)NCC[NH+](C)C Cc1ccc(cc1)C(=O)N1CCC2(CC1)OC[C@H](N2C(=O)c1ccccc1C)C(=O)NCC[NH+](C)C C[NH+](C)CCNC(=O)[C@@H]1COC2(CCN(CC2)C(=O)c3ccc(C)cc3)N1C(=O)c4ccccc4C InChIKey=BQOSYAQYANMJER-DEOSSOPVSA-O InChI=1S/C28H36N4O4/c1-20-9-11-22(12-10-20)26(34)31-16-13-28(14-17-31)32(27(35)23-8-6-5-7-21(23)2)24(19-36-28)25(33)29-15-18-30(3)4/h5-12,24H,13-19H2,1-4H3,(H,29,33)/p+1/t24-/m0/s1 InChI=1/C28H36N4O4/c1-20-9-11-22(12-10-20)26(34)31-16-13-28(14-17-31)32(27(35)23-8-6-5-7-21(23)2)24(19-36-28)25(33)29-15-18-30(3)4/h5-12,24H,13-19H2,1-4H3,(H,29,33)/p+1/t24-/m0/s1/fC28H37N4O4/h29-30H/q+1 Cc1ccc(cc1)C(=O)N2CCC3(CC2)N([C@@H](CO3)C(=O)NCC[NH+](C)C)C(=O)c4ccccc4C C01[X(C28H37N4O4)] 213 C01 614 Cc1ccc(cc1)C(=O)N1CCC2(CC1)OC[C@H](N2C(=O)c1ccccc1C)C(=O)NCC[NH+](C)C C[NH](CCN[C]([O])[C@@H]1CO[C@@]2(N1C(=O)[C]1[CH][CH][CH][CH][C]1C)CCN(CC2)C(=O)[C]1[CH][CH][C]([CH][CH]1)C)C C[C]1[CH][CH][C]([CH][CH]1)C(=O)N2CCC3(CC2)OC[C@@H]([C]([O])NCC[NH](C)C)N3C(=O)[C]4[CH][CH][CH][CH][C]4C InChIKey=RKWFAOFDRBJYNE-DEOSSOPVSA-N InChI=1S/C28H37N4O4/c1-20-9-11-22(12-10-20)26(34)31-16-13-28(14-17-31)32(27(35)23-8-6-5-7-21(23)2)24(19-36-28)25(33)29-15-18-30(3)4/h5-12,24,30H,13-19H2,1-4H3,(H,29,33)/t24-/m0/s1 InChI=1/C28H37N4O4/c1-20-9-11-22(12-10-20)26(34)31-16-13-28(14-17-31)32(27(35)23-8-6-5-7-21(23)2)24(19-36-28)25(33)29-15-18-30(3)4/h5-12,24,30H,13-19H2,1-4H3,(H,29,33)/t24-/m0/s1/f/h29H 4075.9784058239 -1598.9509162 1-A 22029.4227 132 482 614 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2395.01 2397.34 2399.04 2413.41 2415.13 2434.73 2477.47 2539.59 2548.19 2595.62 2619.10 2725.22 2768.11 2800.44 4614.61 4630.89 4634.14 4651.24 4657.35 4685.75 4687.31 4690.00 4695.53 4696.32 4699.52 4713.20 4725.23 4726.25 4730.62 4750.79 4752.17 4761.40 4768.93 4771.42 4801.97 4823.20 4828.84 4832.63 4833.67 4833.76 4833.79 4834.53 4840.77 4840.85 4856.08 4861.60 4868.03 4883.11 4889.71 4948.34 5563.22 0.675222 0.707875 0.708819 0.606850 -1598.275694 -1598.243041 -1598.242097 -1598.344066 3.420057D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE Cc1ccc(cc1)C(=O)N2CCC3(CC2)N([C@@H](CO3)C(=O)NCC[NH+](C)C)C(=O)c4ccccc4C C35639843 RHF 6-31G(d) (6D,10F) C1 493.281481 |X|Y|Z| 43.337861 64.304891 126.552993 70.652571 24 6 7 8 21 2 1 |36.858105| |12.612728|36.858105| |7.540840|13.715960|36.858105| |5.008919|7.891308|13.752634|36.858105| |4.416813|6.796702|7.915254|13.726073|36.858105| |5.017114|7.891633|6.898694|7.962351|13.700823|36.858105| |7.554442|13.680196|7.979749|6.899390|7.919105|13.793124|36.858105| |3.278819|4.429599|5.014501|7.517614|12.697723|7.674160|5.063881|36.858105| |2.956725|3.832849|4.076697|5.415997|8.125908|6.668594|4.536040|15.852182|73.516695| |2.873938|3.705898|4.360128|6.333382|7.717836|5.221024|3.947418|13.856412|15.036750|53.358707| |2.369517|2.912329|3.298722|4.333606|5.021997|3.914392|3.104960|7.881310|12.596312|17.810147|36.858105| |2.162596|2.603803|2.829811|3.520505|4.150589|3.527404|2.836690|5.901737|10.285782|10.511956|12.445683|36.858105| |2.172731|2.593229|2.805424|3.411041|3.905514|3.387666|2.797334|4.977282|8.040245|8.800984|7.325856|12.401433|36.858105| |2.556694|3.127047|3.443614|4.278545|4.865982|4.076269|3.343872|5.815306|8.413530|10.522549|6.524151|7.434011|12.347029|36.858105| |2.873919|3.638767|4.310062|5.893444|6.336833|4.637467|3.747708|7.665624|9.643568|17.820681|7.898148|6.519815|7.309387|12.403139|36.858105| |1.914352|2.224664|2.415977|2.848238|3.087066|2.714491|2.336520|3.702321|6.065201|6.395421|5.442736|7.463043|12.725841|7.492144|5.457620|53.358707| |1.762499|2.011601|2.134813|2.441100|2.645868|2.420168|2.124212|3.051351|5.128246|4.896398|3.966633|5.274321|7.857917|5.605092|4.094071|17.924693|36.858105| |1.625040|1.840593|1.942480|2.206410|2.392576|2.208758|1.946760|2.768422|4.772769|4.353577|3.635990|4.826266|6.164003|4.421733|3.463784|12.321723|17.599165|0.500000| |1.892828|2.174400|2.261403|2.577864|2.881687|2.706227|2.350801|3.304339|5.602039|5.077381|3.923794|5.374497|8.322809|6.268722|4.210570|11.240125|12.376051|0.244867|36.858105| |2.052008|2.410207|2.517045|2.952518|3.431767|3.175276|2.655387|4.173334|7.167009|6.458492|5.140605|8.130047|13.504489|7.906604|5.078917|11.611944|8.318739|0.189462|13.777468|73.516695| |1.689610|1.898456|2.015741|2.256164|2.375501|2.187610|1.969780|2.627906|4.354598|4.160954|3.212835|3.861998|5.301934|4.640814|3.594371|10.437733|12.511361|0.246520|7.576581|9.467312|36.858105| |1.796940|2.017354|2.155804|2.399581|2.484464|2.276048|2.068887|2.684989|4.350549|4.270055|3.159031|3.625895|5.005551|4.953593|3.866646|8.947615|7.954768|0.162741|6.253543|8.468652|15.688631|73.516695| |1.512616|1.676159|1.764701|1.946490|2.039076|1.904044|1.735532|2.233581|3.766738|3.451773|2.685146|3.165638|3.981439|3.508854|2.873303|7.212011|7.804713|0.210810|5.575099|7.369830|14.157376|15.146574|53.358707| |1.424542|1.558786|1.640837|1.783721|1.837022|1.722206|1.594951|1.971718|3.313169|3.017192|2.305218|2.606184|3.158096|2.941180|2.513759|5.402224|5.001882|0.134496|4.013797|5.692623|7.768974|12.173330|17.835094|36.858105| |1.435660|1.557351|1.624220|1.741561|1.787908|1.697719|1.591017|1.881338|3.150990|2.831109|2.107104|2.353813|2.852764|2.778442|2.375849|4.580312|4.120200|0.107049|3.683256|5.233280|5.968006|10.890760|10.325250|12.445443|36.858105| |1.561802|1.693476|1.774527|1.893807|1.922033|1.817561|1.714393|1.992477|3.284160|3.010291|2.186387|2.397298|2.948068|3.020759|2.595457|4.634466|3.950179|0.097508|3.632870|5.266748|5.668744|12.453640|7.938313|7.498469|12.681942|53.358707| |1.675515|1.837725|1.939511|2.093988|2.131959|1.995947|1.864365|2.226634|3.636449|3.414394|2.473715|2.734146|3.474747|3.593013|3.010803|5.574918|4.769287|0.112263|4.299319|6.115739|7.369355|19.310905|9.081505|7.492591|9.408597|25.384673|0.500000| |1.505384|1.619387|1.711177|1.813479|1.807688|1.698038|1.615913|1.859235|3.053961|2.815607|2.040705|2.176860|2.601377|2.693076|2.417803|4.077906|3.279027|0.082544|2.960232|4.504441|4.412137|9.501870|6.143669|5.927012|7.647028|17.420304|0.259211|36.858105| |1.590681|1.708837|1.764962|1.856566|1.888697|1.817412|1.734452|1.924242|3.178492|2.845991|2.030608|2.216589|2.697103|2.834861|2.439523|4.017406|3.378031|0.083858|3.356161|4.933134|4.391272|9.288197|5.959542|4.996028|7.694530|17.422611|0.257819|7.761241|36.858105| |1.846299|2.130708|2.358091|2.776609|2.899085|2.504288|2.187555|3.428724|5.560052|6.060292|5.247171|6.023013|7.529665|5.836876|5.139779|19.022400|7.656500|0.180545|5.245573|9.535301|6.291038|10.339513|6.485410|3.846279|3.186376|4.427736|0.107216|3.013946|2.756153|36.858105| |1.968658|2.293620|2.600891|3.125538|3.190761|2.668401|2.322547|3.803540|5.998454|7.103134|6.157503|6.011558|6.652851|5.879804|6.043242|11.553249|5.336342|0.129791|4.240810|8.154533|4.672879|8.311682|5.066972|3.192437|2.754231|3.925426|0.093559|2.753373|2.501295|15.906952|73.516695| |1.619731|1.830332|2.001963|2.290008|2.359140|2.090612|1.867040|2.701948|4.491625|4.496735|3.796984|4.254346|4.923386|4.068494|3.676025|10.569499|6.559165|0.177456|4.356464|7.331476|6.322726|9.759113|7.388119|4.488364|3.451812|4.589059|0.108224|3.192969|2.754955|12.629942|14.392612|36.858105| |1.491423|1.675158|1.807768|2.052053|2.142276|1.930496|1.724911|2.465695|4.219151|3.974366|3.432520|3.971395|4.324230|3.445493|3.096798|8.516488|6.037133|0.193895|4.119031|6.939008|5.422206|7.840786|7.129455|4.246412|3.223841|4.078258|0.092925|2.802869|2.498670|7.630109|9.955771|13.703852|36.858105| |1.351362|1.498694|1.608007|1.796333|1.857076|1.693759|1.534729|2.093916|3.606095|3.290590|2.765497|3.090760|3.300709|2.775495|2.547140|5.923657|4.458688|0.142136|3.307963|5.496851|4.402875|6.585237|6.405680|4.172211|3.129874|3.852440|0.084831|2.713282|2.354969|5.037902|7.351606|7.889633|13.757519|36.858105| |1.316589|1.449464|1.560336|1.726881|1.757642|1.602885|1.468602|1.945762|3.314182|3.050132|2.491435|2.693874|2.914441|2.570654|2.400918|5.112378|3.814157|0.113711|2.918736|4.809766|4.090161|6.463623|6.030662|4.340446|3.244186|4.028802|0.087419|2.957238|2.416275|4.451396|6.808050|6.869359|7.980921|13.765040|36.858105| |1.402097|1.546279|1.680058|1.861711|1.871565|1.690803|1.553072|2.055973|3.441925|3.268827|2.622249|2.778126|3.078239|2.799614|2.642614|5.469687|3.933198|0.110046|2.997088|4.932582|4.431156|7.406826|6.173649|4.589696|3.469662|4.510130|0.099596|3.420838|2.641201|5.033886|7.841326|7.970483|6.922183|7.938223|13.740622|36.858105| |1.561039|1.742907|1.913085|2.152214|2.164553|1.925673|1.750997|2.403582|3.960515|3.934679|3.166698|3.357238|3.842222|3.483961|3.271138|7.254953|4.848772|0.128257|3.541082|5.870969|5.414835|9.272462|6.737936|4.644052|3.576808|4.860832|0.112829|3.592018|2.838887|7.541452|11.253797|13.608676|7.870973|6.780041|7.854703|13.694609|36.858105| |1.674453|1.867721|2.078284|2.328365|2.283754|2.011190|1.846054|2.478678|3.990511|4.086719|3.135850|3.174838|3.671892|3.618379|3.538136|6.429693|4.157877|0.104247|3.269527|5.495893|4.755717|9.260009|5.650564|4.086363|3.424335|5.024002|0.118066|3.902271|2.956928|6.405503|11.207645|7.467188|4.984950|4.408383|5.009841|7.575695|12.591681|36.858105| |17.562561|8.839750|5.718547|4.229679|3.954629|4.661637|6.947340|3.027429|4.913685|3.637210|2.229642|2.080698|2.117719|2.488264|2.711118|2.543630|1.743269|0.044630|1.891558|3.614266|1.678695|3.177002|2.051642|1.421778|1.444717|2.141747|0.046728|1.508883|1.620277|1.785362|3.343596|1.573833|1.453892|1.320408|1.286332|1.366810|1.516827|1.621220|0.500000| |17.539766|8.861804|6.086410|4.381361|3.972361|4.529598|6.476897|3.048810|5.026143|3.610572|2.231208|2.032364|2.010007|2.312041|2.587714|2.420958|1.640738|0.042381|1.754775|3.389752|1.566577|2.935702|1.922616|1.330942|1.336201|1.961892|0.042776|1.391803|1.463423|1.721338|3.260312|1.520333|1.410987|1.283851|1.248820|1.322556|1.463434|1.558289|0.302302|0.500000| |17.580754|8.833490|7.183656|4.728428|3.951013|4.176021|5.589304|3.020587|4.792553|3.729076|2.272089|2.064733|2.090444|2.464797|2.794824|2.544684|1.719328|0.043983|1.824210|3.479795|1.666148|3.172075|2.033411|1.417728|1.431043|2.131694|0.046585|1.524225|1.592726|1.823968|3.474895|1.608715|1.473217|1.339765|1.314507|1.407825|1.566030|1.696896|0.301463|0.301990|0.500000| |6.985268|8.914445|17.707655|8.944189|5.643268|4.964820|5.659125|4.087564|6.063305|5.143842|2.969788|2.552969|2.548084|3.082602|3.832895|3.069546|2.000173|0.050722|2.084371|4.055200|1.916362|3.662767|2.298982|1.587780|1.573964|2.349994|0.052160|1.686522|1.713956|2.240988|4.417370|1.928319|1.735639|1.556251|1.524163|1.649702|1.869790|2.054647|0.145944|0.160462|0.218592|0.500000| |4.090410|5.632406|8.935114|17.721135|8.909851|5.652932|4.966231|6.917740|8.899796|9.339384|4.702133|3.638779|3.500314|4.344575|6.454720|4.066523|2.506776|0.062908|2.574565|5.214401|2.325007|4.407605|2.722273|1.837111|1.776038|2.631355|0.059580|1.869883|1.868727|3.003034|6.210757|2.458787|2.175383|1.897939|1.832572|1.992974|2.323892|2.546857|0.097668|0.101991|0.112580|0.216573|0.500000| |4.091965|5.625265|4.967415|5.663553|8.936609|17.738435|8.921429|7.177412|12.895159|6.650362|3.885409|3.662131|3.463191|3.996557|4.253432|3.721660|2.470166|0.063116|2.820500|5.984581|2.198837|4.007439|2.616114|1.723893|1.696784|2.445551|0.054696|1.662574|1.800036|2.474199|4.601579|2.073080|1.940423|1.700715|1.595218|1.666214|1.888668|1.941060|0.110200|0.106200|0.096110|0.107764|0.124356|0.500000| |7.013699|8.905161|5.660866|4.964539|5.642729|8.954110|17.702226|4.132989|6.949620|4.518976|2.725913|2.561554|2.537556|2.958180|3.177711|2.917093|1.985107|0.050905|2.213970|4.395961|1.847899|3.432149|2.238455|1.516071|1.521747|2.221035|0.048928|1.533641|1.665928|1.995732|3.715194|1.726309|1.610284|1.442866|1.380376|1.451033|1.621398|1.697024|0.204046|0.178100|0.141359|0.124211|0.107730|0.215756|0.500000| |2.227838|2.687902|3.094827|3.978734|4.265302|3.359245|2.777621|5.870637|9.252311|12.593302|17.667081|8.779941|6.407351|5.771762|7.223655|7.549485|3.928682|0.100492|3.651704|7.962233|3.266737|5.739247|3.726584|2.373456|2.140845|3.028005|0.069987|2.107928|2.034168|6.045310|14.280631|4.292415|3.763825|3.004921|2.726486|2.911288|3.583078|3.569427|0.058047|0.058314|0.060295|0.079649|0.125567|0.090690|0.068034|0.500000| |2.317096|2.833619|3.165673|4.094754|4.810682|3.851377|3.050052|7.578917|14.361769|12.521527|17.680706|8.910601|5.452895|4.895820|5.713741|5.862540|3.363700|0.088534|3.371325|7.693037|2.767399|4.797313|3.241337|2.067514|1.899171|2.658210|0.060501|1.832136|1.829458|4.185602|8.436795|3.257318|3.059987|2.532027|2.278070|2.357497|2.764032|2.712028|0.060294|0.061581|0.061271|0.079081|0.121186|0.108134|0.074970|0.302046|0.500000| |1.931590|2.277721|2.460683|2.978120|3.396420|2.962424|2.454081|4.541929|8.225481|7.618306|8.780624|17.562306|8.853449|5.497289|4.934335|9.958086|5.352251|0.146813|5.037233|12.307763|3.843672|6.177098|4.414918|2.648343|2.340006|3.173546|0.073192|2.125861|2.130057|6.230975|10.491568|4.629527|4.584816|3.485533|2.933843|2.947156|3.516295|3.178820|0.051731|0.050869|0.051521|0.062705|0.086197|0.085517|0.062440|0.213657|0.208939|0.500000| |2.215982|2.678536|2.835745|3.492229|4.319497|3.827447|3.009646|6.230900|12.015697|9.362737|8.956344|17.593877|9.071701|6.464464|5.584646|7.746212|4.600875|0.119482|5.164000|14.571216|3.447622|5.766619|3.940139|2.402264|2.211366|3.054210|0.070277|2.024414|2.117450|4.574069|8.000490|3.498206|3.365754|2.718958|2.385269|2.431291|2.854682|2.717883|0.059601|0.058108|0.057957|0.070009|0.096576|0.115424|0.076286|0.174610|0.223240|0.303235|0.500000| |2.445532|2.914021|3.197002|3.795449|4.069562|3.525037|3.038321|4.483087|6.671423|7.641797|4.938380|5.490991|8.786044|17.558715|8.822545|9.987106|5.937981|0.124640|6.379815|11.845083|5.430520|11.306216|5.349352|3.320255|3.179848|4.876942|0.122632|3.151116|3.330462|5.899449|10.146425|4.254345|3.489620|2.839912|2.685614|2.989259|3.768108|4.042849|0.066721|0.061067|0.066452|0.081481|0.107902|0.094882|0.075656|0.131094|0.108417|0.125028|0.134486|0.500000| |2.734095|3.382099|3.585747|4.383343|5.315322|4.712142|3.769953|6.121730|9.031252|9.376635|5.591617|6.455100|9.020784|17.548364|8.920657|7.751984|4.840574|0.110117|6.071711|14.067619|4.058838|7.596895|4.341386|2.698615|2.613597|3.849024|0.091614|2.496450|2.745591|4.474125|7.880471|3.375059|2.983822|2.467237|2.285187|2.446202|2.940849|3.023804|0.074921|0.068328|0.071870|0.086940|0.116540|0.132234|0.093231|0.131172|0.125713|0.134514|0.180290|0.302113|0.500000| |3.348853|4.364056|5.345106|7.427342|7.369327|5.279922|4.367891|7.176321|8.888766|12.404997|5.691085|4.880400|5.444543|8.921369|17.679491|5.893915|3.506054|0.083268|3.697628|7.581853|3.217060|6.300533|3.568309|2.345952|2.271174|3.433777|0.080533|2.367390|2.423912|4.104621|8.303162|3.136507|2.677350|2.262632|2.166745|2.389171|2.893815|3.197207|0.087265|0.081570|0.090836|0.129348|0.216506|0.126956|0.100016|0.146616|0.127638|0.108183|0.125053|0.211787|0.222216|0.500000| |2.624572|3.217340|3.866816|5.056320|4.968609|3.775071|3.201842|5.766642|7.867120|12.558580|7.222708|5.789406|6.424465|8.781583|17.655908|7.606996|4.066409|0.096081|3.890408|7.913132|3.680633|7.120662|4.008755|2.607968|2.428189|3.625212|0.086083|2.534268|2.447849|5.911271|13.908283|4.133951|3.343633|2.737193|2.614647|2.945322|3.746045|4.208097|0.068466|0.066183|0.072365|0.100142|0.165734|0.096371|0.076562|0.220349|0.146750|0.131390|0.131387|0.215079|0.174322|0.303132|0.500000| |1.991824|2.282142|2.363790|2.664087|2.947589|2.790669|2.456047|3.259074|5.394202|4.956745|3.616713|4.597377|7.006207|6.585942|4.314813|9.165865|8.752532|0.175359|17.559411|16.530708|7.437864|12.650261|7.280589|4.064085|3.953817|5.579835|0.138167|3.245475|3.899144|4.709081|7.058443|3.940428|3.586309|2.969635|2.717589|2.859266|3.380415|3.264299|0.055699|0.050791|0.053463|0.060555|0.073333|0.079870|0.064285|0.094055|0.086200|0.115610|0.123610|0.207236|0.183798|0.109259|0.109640|0.500000| |1.762389|2.000200|2.051016|2.302491|2.575937|2.476079|2.174332|2.918440|5.083781|4.328828|3.365856|4.495536|5.946376|4.718165|3.448023|8.069873|8.675677|0.223273|17.637550|16.831550|6.200701|8.961595|7.177785|3.843642|3.574643|4.606764|0.106889|2.748383|3.195318|4.219334|6.216147|3.756791|3.754839|3.132340|2.745251|2.743539|3.117132|2.841994|0.049210|0.045707|0.047040|0.052640|0.063385|0.072634|0.057723|0.086952|0.083357|0.121995|0.125933|0.131355|0.133056|0.086242|0.088993|0.299517|0.500000| |1.447052|1.603343|1.684345|1.861963|1.962433|1.836179|1.667475|2.172246|3.714176|3.340488|2.656240|3.170938|3.847977|3.262841|2.707257|6.948670|7.501865|0.243858|5.298722|7.238818|9.505220|10.941220|26.030238|9.125934|5.792257|6.144825|0.137412|3.713821|3.609790|4.609240|6.374547|5.450645|5.891875|5.413424|4.768967|4.519606|4.734338|3.787237|0.039983|0.037752|0.039579|0.044713|0.053136|0.051827|0.044000|0.075169|0.066191|0.092896|0.080834|0.097794|0.083002|0.068106|0.076856|0.132255|0.146409|0.500000| |1.433560|1.568703|1.667015|1.814760|1.847387|1.714432|1.590600|1.979930|3.302201|3.062968|2.339785|2.590437|3.110491|2.935352|2.569945|5.399750|4.650383|0.123034|3.652135|5.386855|6.989558|12.016955|12.408229|17.589194|8.756444|9.586687|0.201616|6.583285|4.582003|4.085029|6.091026|4.984853|4.475995|4.464841|4.989945|5.713599|5.671180|5.005746|0.039541|0.037186|0.039848|0.045101|0.052440|0.047279|0.041770|0.068066|0.058063|0.073121|0.065413|0.092516|0.073502|0.066532|0.075660|0.102768|0.094449|0.196567|0.500000| |1.322751|1.440185|1.509576|1.634660|1.685944|1.589403|1.475717|1.811153|3.076106|2.744251|2.115288|2.385513|2.802356|2.578117|2.238720|4.695004|4.273387|0.121986|3.513549|5.108193|5.786338|8.881573|12.682187|17.626324|9.018572|7.606041|0.148047|4.796693|4.161123|3.370457|5.044569|4.003745|4.037895|4.217037|4.399696|4.347219|4.116250|3.536168|0.036680|0.034518|0.036528|0.040628|0.046691|0.044374|0.039146|0.060434|0.053406|0.068271|0.061616|0.078807|0.066482|0.058120|0.064300|0.096385|0.096726|0.239099|0.304390|0.500000| |1.340970|1.442371|1.500916|1.596618|1.629371|1.553336|1.466983|1.703602|2.865475|2.543370|1.892142|2.084565|2.461638|2.408012|2.108737|3.884413|3.373237|0.089864|3.055061|4.490442|4.519826|8.209112|7.627534|8.823638|17.613986|12.402619|0.183617|7.396074|6.650916|2.760751|4.329863|3.023251|2.870672|2.875728|3.045231|3.222977|3.199160|3.083052|0.037506|0.034792|0.037238|0.040624|0.045241|0.043066|0.039119|0.053554|0.047845|0.057829|0.054674|0.075337|0.063334|0.056393|0.060041|0.089836|0.083440|0.130797|0.201773|0.227748|0.500000| |1.442591|1.565371|1.617712|1.732573|1.797967|1.724731|1.613913|1.892820|3.191418|2.817644|2.094338|2.372692|2.884134|2.790509|2.346432|4.518481|4.193291|0.109738|3.956324|5.482795|5.776940|10.050016|9.871706|8.866061|17.641536|12.357690|0.212950|5.645490|7.600854|3.030973|4.652842|3.191910|3.049677|2.923147|2.928749|3.048302|3.174684|3.014820|0.040527|0.037315|0.039714|0.043269|0.048639|0.048268|0.043119|0.058296|0.052646|0.065338|0.062808|0.087856|0.074374|0.062419|0.065446|0.119076|0.110437|0.160206|0.173855|0.206261|0.301627|0.500000| |1.597021|1.714064|1.818777|1.916070|1.888879|1.769638|1.695166|1.918757|3.121543|2.905432|2.070304|2.174852|2.597451|2.774343|2.528696|3.984901|3.100808|0.076964|2.856246|4.433191|4.020222|8.981311|5.276449|4.642449|5.588296|12.347582|0.224666|17.650483|7.131466|2.960703|4.928470|3.037073|2.623288|2.501870|2.707254|3.164583|3.412692|3.903412|0.044462|0.040787|0.045193|0.050068|0.054955|0.047723|0.044540|0.059430|0.051489|0.058281|0.056186|0.091214|0.071419|0.069850|0.073878|0.088205|0.072741|0.090208|0.142380|0.106818|0.146880|0.126773|0.500000| |1.473534|1.592129|1.695631|1.811541|1.802535|1.677483|1.586732|1.873572|3.080332|2.868855|2.108230|2.243157|2.664117|2.706647|2.453346|4.296621|3.415854|0.086848|2.958174|4.536779|4.642598|9.736109|6.577070|6.614820|7.070369|12.281664|0.222615|17.672767|5.624171|3.281003|5.292330|3.619836|3.133207|3.075023|3.464573|4.153022|4.279304|4.651485|0.040758|0.037976|0.041458|0.046499|0.052371|0.045599|0.041658|0.061276|0.052476|0.061501|0.057271|0.087229|0.068551|0.065801|0.072617|0.087815|0.075815|0.110994|0.236843|0.147535|0.189534|0.142208|0.300872|0.500000| |1.405039|1.498112|1.571838|1.651920|1.647110|1.560678|1.494997|1.686587|2.792225|2.523334|1.832357|1.949518|2.286165|2.349972|2.130090|3.525719|2.840905|0.073172|2.610515|4.009524|3.669251|7.456381|5.297368|5.136279|6.879036|12.316694|0.180554|17.634480|7.084051|2.596607|4.250411|2.765246|2.498729|2.468763|2.694914|3.033414|3.079593|3.268738|0.039240|0.036234|0.039530|0.043134|0.047107|0.042565|0.039665|0.052370|0.046192|0.053150|0.050844|0.074786|0.061383|0.058220|0.061568|0.078664|0.068762|0.092115|0.151517|0.124592|0.218273|0.146863|0.299125|0.298986|0.500000| |1.632780|1.762792|1.805862|1.906251|1.966736|1.908320|1.811085|2.011545|3.338184|2.954862|2.108142|2.340000|2.880277|3.010386|2.523738|4.220815|3.647949|0.090015|3.795988|5.434448|4.646424|9.511836|6.217085|4.822744|7.040745|12.327546|0.225416|5.636883|17.651674|2.801214|4.477644|2.749992|2.525048|2.349572|2.355977|2.531369|2.744693|2.800305|0.046403|0.041711|0.045050|0.048254|0.052843|0.052965|0.048515|0.057934|0.052755|0.062189|0.062745|0.097863|0.082484|0.069464|0.069107|0.125998|0.101969|0.105077|0.117612|0.112720|0.160596|0.228736|0.146299|0.126261|0.143220|0.500000| |1.686580|1.804994|1.867639|1.948978|1.961425|1.885873|1.815490|1.969690|3.222447|2.908067|2.039921|2.190235|2.656453|2.885697|2.523064|3.880674|3.141092|0.077168|3.152606|4.768258|3.948734|8.646701|5.110453|4.139444|5.599126|12.329554|0.219801|7.249458|17.650789|2.690701|4.435337|2.636394|2.355487|2.205018|2.270773|2.515297|2.738392|2.949400|0.047812|0.042829|0.047187|0.050620|0.054450|0.051407|0.048317|0.056801|0.050958|0.057823|0.058099|0.095197|0.077774|0.070868|0.070382|0.102741|0.081922|0.087570|0.110980|0.096965|0.139710|0.149551|0.221624|0.146206|0.179354|0.299958|0.500000| |1.471180|1.566110|1.610142|1.681905|1.707511|1.652687|1.587182|1.735891|2.890781|2.545859|1.826999|1.983392|2.358055|2.445928|2.143723|3.497749|2.923650|0.074628|2.893826|4.328306|3.682264|7.373605|5.229653|4.533936|7.038711|12.306771|0.180058|6.945890|17.632789|2.428615|3.944794|2.468495|2.282444|2.195561|2.268858|2.447320|2.561194|2.639143|0.041685|0.037803|0.040965|0.043608|0.046992|0.045565|0.042592|0.050904|0.046194|0.053403|0.052914|0.077874|0.066188|0.059219|0.059845|0.090637|0.078230|0.090921|0.115394|0.110879|0.196837|0.194646|0.170636|0.142422|0.209018|0.298910|0.299199|0.500000| |1.511795|1.706902|1.831741|2.092302|2.222229|2.009513|1.777249|2.605523|4.535647|4.173521|3.722928|4.529767|4.737361|3.563963|3.158613|9.017624|6.373605|0.224088|4.458025|7.783333|5.046798|7.207419|6.511181|3.761230|2.965706|3.752242|0.085326|2.533390|2.362196|7.117168|9.456526|8.918008|17.705991|8.937808|5.667037|4.977124|5.618508|4.068043|0.040955|0.039842|0.041196|0.048435|0.061158|0.056719|0.046166|0.110745|0.093098|0.154508|0.106591|0.096987|0.086789|0.075113|0.092372|0.103324|0.114633|0.153137|0.105439|0.100232|0.073302|0.080206|0.066368|0.076738|0.063292|0.067439|0.061912|0.059996|0.500000| |1.279042|1.413145|1.505514|1.673968|1.739909|1.601338|1.453334|1.960561|3.421833|3.029602|2.551339|2.862593|2.981351|2.503846|2.302467|5.104426|3.918780|0.128553|3.045746|5.105177|3.771641|5.657473|5.604148|3.675875|2.842015|3.456110|0.074941|2.421050|2.158873|4.111677|6.188953|5.624625|8.909870|17.725851|8.895679|5.640225|4.904800|3.531093|0.034774|0.033906|0.035125|0.040416|0.048810|0.044942|0.038159|0.075815|0.066135|0.090572|0.071398|0.070288|0.062980|0.057215|0.067674|0.075497|0.082404|0.135163|0.105261|0.106870|0.073580|0.075178|0.062047|0.074880|0.062246|0.060272|0.056004|0.056535|0.215456|0.500000| |1.227231|1.341074|1.436772|1.575946|1.599477|1.469912|1.356382|1.754558|3.004794|2.710386|2.192176|2.348377|2.508694|2.247305|2.115830|4.232369|3.195238|0.095311|2.547414|4.208890|3.434676|5.524607|5.178137|3.894736|3.003882|3.694854|0.078260|2.752827|2.247030|3.557815|5.620952|4.950279|5.660432|8.913983|17.718253|8.923104|5.615908|4.098094|0.033359|0.032439|0.034079|0.039121|0.046279|0.040665|0.035578|0.066027|0.056431|0.070627|0.058716|0.065044|0.056329|0.053711|0.063465|0.066492|0.067693|0.113798|0.122339|0.114301|0.080616|0.075512|0.069761|0.089047|0.071322|0.060578|0.058597|0.059573|0.124362|0.214061|0.500000| |1.355884|1.483380|1.611544|1.767099|1.757626|1.593995|1.478731|1.902050|3.176279|2.992346|2.353440|2.447294|2.696052|2.529041|2.424487|4.594122|3.316291|0.091450|2.637972|4.352596|3.796655|6.627997|5.330796|4.217005|3.332979|4.409228|0.095083|3.509148|2.589471|4.093693|6.697195|5.658067|4.977019|5.654939|8.945052|17.707952|8.933406|7.070239|0.036731|0.035538|0.038019|0.044300|0.052567|0.043428|0.038446|0.072236|0.059239|0.071023|0.060274|0.075477|0.062043|0.061966|0.075050|0.071306|0.067570|0.106073|0.148703|0.112038|0.088465|0.080244|0.090492|0.120908|0.087520|0.067743|0.069059|0.067444|0.107930|0.124230|0.216409|0.500000| |1.798137|2.016749|2.245004|2.520671|2.475810|2.177089|1.995367|2.666883|4.232367|4.425614|3.296732|3.376443|4.108995|4.228101|4.021228|7.184104|4.636711|0.110342|3.683004|6.090777|5.533119|11.905490|6.132460|4.362242|3.769783|5.818102|0.143788|4.419667|3.389876|6.739471|11.540011|6.763596|4.576540|3.919861|4.225952|5.765384|8.801764|17.575973|0.048536|0.046084|0.050592|0.061338|0.076161|0.058172|0.050795|0.102105|0.077838|0.091231|0.080404|0.138566|0.096366|0.101458|0.132902|0.105264|0.086791|0.109592|0.145549|0.100839|0.091777|0.092230|0.126108|0.142536|0.099174|0.089091|0.095170|0.081759|0.108093|0.089355|0.097928|0.148864|0.500000| 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