Version2.0 2020-02-01T00:52:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 16-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1C[C@H](CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)OCC(=O)N3CCN(CC3)C(=O)c4ccco4)C C15981542 RHF 6-31G(d) (6D,7F) C[C@@H]1C[C@H](CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)OCC(=O)N3CCN(CC3)C(=O)c4ccco4)C C01[X(C25H31N3O7S1)] 195 C1 606 C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)OCC(=O)N1CCN(CC1)C(=O)c1ccco1 C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)OCC(=O)N1CCN(CC1)C(=O)c1ccco1 C[C@@H]1C[C@@H](C)CN(C1)[S](=O)(=O)c2ccc(cc2)C(=O)OCC(=O)N3CCN(CC3)C(=O)c4occc4 InChIKey=AQJARQICBMNDGA-RTBURBONSA-N InChI=1S/C25H31N3O7S/c1-18-14-19(2)16-28(15-18)36(32,33)21-7-5-20(6-8-21)25(31)35-17-23(29)26-9-11-27(12-10-26)24(30)22-4-3-13-34-22/h3-8,13,18-19H,9-12,14-17H2,1-2H3/t18-,19-/m1/s1 InChI=1/C25H31N3O7S/c1-18-14-19(2)16-28(15-18)36(32,33)21-7-5-20(6-8-21)25(31)35-17-23(29)26-9-11-27(12-10-26)24(30)22-4-3-13-34-22/h3-8,13,18-19H,9-12,14-17H2,1-2H3/t18-,19-/m1/s1 C[C@@H]1C[C@H](CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)OCC(=O)N3CCN(CC3)C(=O)c4ccco4)C C01[X(C25H31N3O7S1)] 195 C01 606 C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)OCC(=O)N1CCN(CC1)C(=O)c1ccco1 C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)OCC(=O)N1CCN(CC1)C(=O)c1ccco1 C[C@@H]1C[C@@H](C)CN(C1)[S](=O)(=O)c2ccc(cc2)C(=O)OCC(=O)N3CCN(CC3)C(=O)c4occc4 InChIKey=AQJARQICBMNDGA-RTBURBONSA-N InChI=1S/C25H31N3O7S/c1-18-14-19(2)16-28(15-18)36(32,33)21-7-5-20(6-8-21)25(31)35-17-23(29)26-9-11-27(12-10-26)24(30)22-4-3-13-34-22/h3-8,13,18-19H,9-12,14-17H2,1-2H3/t18-,19-/m1/s1 InChI=1/C25H31N3O7S/c1-18-14-19(2)16-28(15-18)36(32,33)21-7-5-20(6-8-21)25(31)35-17-23(29)26-9-11-27(12-10-26)24(30)22-4-3-13-34-22/h3-8,13,18-19H,9-12,14-17H2,1-2H3/t18-,19-/m1/s1 3896.6936904136 -2049.6019638 1-A 40954.9263 137 469 606 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3203.0015 3206.0051 3211.6457 3215.4351 3225.9088 3234.0097 3238.3594 3257.3647 3259.5524 3261.4974 3266.7428 3287.0247 3289.2488 3308.2493 3320.9580 3345.1639 3350.7577 3358.2529 3385.2831 3404.5576 3409.6264 3421.3546 3425.0217 3446.4693 3470.4484 3483.1480 5.7500 5.4664 5.3245 4.5357 5.0233 5.9213 5.7630 4.5675 6.0482 5.8028 5.8056 6.8486 5.4592 5.1864 4.2905 4.5372 4.2386 3.7401 2.9135 3.7904 3.1964 3.5324 2.9736 1.3907 3.8528 1.1411 6.3309 4.8589 3.1674 4.1318 3.9458 3.8496 4.2735 4.7575 4.1186 3.3333 3.7778 2.7170 4.0312 4.0545 2.9856 2.4741 1.6520 3.4619 3.4983 4.5022 4.4924 6.1299 5.5098 5.7408 3.6309 5.4890 2.9274 2.8505 4.8810 5.8428 6.9566 2.6394 4.8743 5.8128 4.0247 6.4986 4.5089 6.5262 3.5077 3.5123 4.3939 1.2423 1.7675 1.9940 3.5925 1.4446 1.3373 5.6771 5.4338 1.5819 1.3932 2.4766 1.4054 3.2213 1.4889 2.1114 3.0357 1.7660 2.6851 1.8069 1.4825 2.3718 2.3029 2.0313 1.4366 2.0274 2.7394 1.3737 1.5882 3.0683 2.1062 2.2533 3.1265 2.2271 2.8762 2.2020 2.0778 2.5164 3.8267 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4598.62 4604.91 4608.40 4612.73 4620.84 4626.29 4641.36 4653.02 4659.28 4686.62 4689.77 4692.57 4700.11 4729.30 4732.50 4759.83 4778.12 4812.94 4820.99 4831.78 4870.67 4898.40 4905.69 4922.57 4927.84 4958.70 4993.20 5011.47 0.592088 0.623888 0.624832 0.521973 -2049.009876 -2048.978076 -2048.977131 -2049.079991 3.449941D-04 MUNgauss RevisionA2.0 retrievium 01-Feb-2020 DUDE C[C@@H]1C[C@H](CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)OCC(=O)N3CCN(CC3)C(=O)c4ccco4)C C15981542 RHF 6-31G(d) (6D,10F) C1 517.188272 |X|Y|Z| 191.237988 54.455988 37.649349 73.191238 29 6 7 8 16 23 3 2 1 |36.858105| |12.457879|36.858105| |8.921664|17.537304|0.500000| |7.521745|12.428218|0.246498|36.858105| |4.873218|7.453073|0.187240|12.403229|36.858105| |4.094157|5.499908|0.138152|8.917298|17.513484|0.500000| |4.400321|6.487900|0.158952|7.592832|12.446428|0.250585|36.858105| |5.004977|7.759631|0.196230|6.651055|7.758106|0.157336|12.936468|53.358707| |7.582658|12.459808|0.249233|7.590648|6.487306|0.137218|7.750666|17.667738|36.858105| |3.713952|4.820958|0.128958|4.233765|4.807770|0.111480|7.178187|15.728732|7.231144|388.023441| |3.587200|4.289606|0.109368|3.753365|3.957581|0.096049|5.528084|10.208719|6.508628|94.475159|73.516695| |3.042494|3.868247|0.105915|3.709382|4.549531|0.110716|6.716916|10.464947|5.007053|94.669457|13.681525|73.516695| |3.528911|4.366469|0.127874|3.595911|3.854193|0.089713|4.778531|9.697165|5.838342|76.268230|13.062366|12.980047|36.858105| |3.333161|3.812315|0.109453|3.096750|3.149486|0.075330|3.742282|7.035188|4.970665|49.499640|11.725890|9.060967|13.769607|36.858105| |2.959227|3.261885|0.096534|2.683382|2.700717|0.065503|3.045784|5.364981|3.889450|33.665404|7.927306|6.936121|7.982899|13.746193|36.858105| |2.789218|3.120608|0.095848|2.614259|2.675794|0.064886|2.932625|5.024846|3.526770|29.932791|6.589083|6.583421|6.927709|7.936687|13.747244|36.858105| |2.896979|3.398825|0.107268|2.892663|3.068533|0.073426|3.358802|5.765994|3.795075|33.697428|6.799729|7.713347|7.971307|6.836660|7.895406|13.678193|36.858105| |3.243458|4.034249|0.125897|3.430362|3.780620|0.088139|4.372145|8.015219|4.774049|49.548648|8.764711|11.036291|13.721326|7.879526|6.852514|7.945941|13.800157|36.858105| |2.411182|2.603888|0.079640|2.227661|2.253494|0.055689|2.401486|3.927678|2.823238|22.509653|5.145699|5.131744|4.490462|5.078207|7.715708|12.760050|7.569050|5.044276|36.858105| |2.261730|2.379732|0.071466|2.041501|2.037341|0.050823|2.169065|3.508637|2.579616|20.092246|4.771796|4.557565|3.814442|4.524232|6.740877|8.015481|5.270431|3.992909|16.007088|73.516695| |2.254495|2.451094|0.075932|2.141041|2.190177|0.054438|2.288840|3.648498|2.582018|20.355027|4.560329|4.798082|3.873443|4.020061|5.287546|8.146197|7.007953|4.647907|14.411017|15.301012|73.516695| |1.984606|2.112267|0.064692|1.873326|1.901639|0.047929|1.963499|3.055267|2.190390|16.827987|3.856938|4.009540|3.022245|3.161219|3.975773|5.220891|4.626192|3.464751|8.180677|12.845130|24.149143|36.858105| |1.861749|1.993323|0.061346|1.802934|1.847858|0.046910|1.879084|2.861500|2.028750|15.475687|3.506439|3.768276|2.686651|2.695635|3.194683|4.075620|4.024067|3.144789|5.283937|8.207278|14.348026|12.485702|36.858105| |1.934084|2.105114|0.065425|1.918665|1.992426|0.050464|2.014493|3.051561|2.129337|16.366780|3.636320|4.036821|2.833770|2.748473|3.174897|4.114662|4.395040|3.436698|4.886753|7.219499|13.137879|8.024364|15.917225|73.516695| |1.670322|1.763909|0.053729|1.611694|1.642264|0.042110|1.659977|2.492848|1.782599|13.401979|3.081736|3.274037|2.259184|2.282371|2.652172|3.203575|3.129152|2.568277|4.010027|6.710763|9.385312|7.772819|13.995943|15.056622|53.358707| |1.553075|1.643821|0.049960|1.525749|1.564491|0.040440|1.567749|2.316140|1.646105|12.339897|2.829519|3.055139|2.030309|2.014538|2.273543|2.692508|2.723085|2.309842|3.167163|5.266175|7.089149|5.015038|7.876136|12.452276|17.793472|36.858105| |1.458219|1.522933|0.046067|1.418561|1.440041|0.037420|1.431367|2.100685|1.510806|11.076491|2.565444|2.727142|1.794073|1.790621|2.001118|2.307728|2.309759|2.003234|2.675746|4.571683|5.695175|3.924663|5.241436|8.385715|10.553487|12.490120|36.858105| |1.382368|1.431603|0.042950|1.329345|1.342260|0.034937|1.343009|1.975727|1.430062|10.496123|2.459727|2.572351|1.697557|1.720226|1.933171|2.193662|2.142537|1.864131|2.576558|4.542456|5.323900|3.749660|4.555464|6.911136|9.155046|7.766481|13.068324|53.358707| |1.466345|1.512005|0.045381|1.387828|1.392928|0.036059|1.401644|2.085021|1.519354|11.136712|2.621900|2.700854|1.826274|1.879276|2.151084|2.446199|2.326614|1.994412|2.973192|5.371335|6.117359|4.562488|5.184354|7.283150|10.624422|6.659673|7.884866|17.846720|36.858105| |1.560954|1.627724|0.049004|1.485428|1.502124|0.038677|1.526764|2.292088|1.655195|12.410149|2.903857|3.014748|2.075019|2.142159|2.500288|2.917034|2.745518|2.292417|3.695502|6.619054|7.940057|6.596973|7.615946|9.427116|17.778750|7.772386|6.607769|10.545235|12.494304|36.858105| |1.262236|1.305599|0.038873|1.220500|1.235322|0.032333|1.239769|1.812165|1.309003|9.669740|2.279450|2.383186|1.546134|1.567889|1.745831|1.951659|1.906744|1.682431|2.256214|4.010569|4.553171|3.108538|3.615757|5.664462|6.625785|5.597432|7.588226|19.029249|7.903512|5.721169|36.858105| |1.221119|1.259443|0.037304|1.175533|1.188221|0.031124|1.199360|1.755928|1.270686|9.433087|2.239308|2.321531|1.507004|1.541413|1.720381|1.903739|1.836890|1.624524|2.208944|3.993408|4.375825|2.986852|3.312053|5.133812|5.844826|4.515877|5.342355|11.521239|7.059503|5.438690|15.823252|73.516695| |1.186451|1.228818|0.036514|1.159371|1.177236|0.030977|1.176014|1.703069|1.226320|9.042350|2.128596|2.243531|1.427714|1.434263|1.575012|1.750506|1.736010|1.553617|1.976440|3.475434|3.963304|2.605696|3.043381|5.003981|5.241645|4.699106|6.286711|10.514160|5.032552|4.095176|12.830267|14.697082|36.858105| |1.101314|1.140701|0.033714|1.081863|1.101257|0.029101|1.102822|1.589017|1.141701|8.463391|1.999794|2.109779|1.324790|1.330133|1.450144|1.596612|1.585376|1.432991|1.782078|3.142196|3.525073|2.273806|2.593877|4.326733|4.279429|3.703340|4.435330|6.964706|3.853920|3.342782|7.508026|11.770869|14.175934|36.858105| |1.062400|1.100334|0.032504|1.050122|1.069891|0.028376|1.065653|1.525453|1.095324|8.073722|1.904796|2.018540|1.253158|1.249861|1.350536|1.482499|1.486309|1.355883|1.631689|2.856729|3.217793|2.034848|2.324551|3.972364|3.728142|3.257505|3.884386|5.576297|3.172828|2.799365|5.180191|8.012545|8.578225|13.291532|36.858105| |1.115623|1.155294|0.034277|1.101989|1.120812|0.029681|1.109994|1.589380|1.142989|8.355741|1.963256|2.084267|1.299561|1.291450|1.395915|1.540688|1.552572|1.413287|1.695512|2.949796|3.370379|2.131936|2.476159|4.263258|3.996309|3.590968|4.536370|6.150076|3.376016|2.921089|5.308952|7.619663|8.795880|8.621540|14.199210|36.858105| |1.197843|1.240409|0.036964|1.174815|1.192107|0.031410|1.181675|1.703917|1.227760|8.964376|2.102082|2.225236|1.408728|1.404750|1.532468|1.705491|1.710073|1.538688|1.903746|3.314043|3.828455|2.473809|2.926848|4.945014|4.922079|4.557161|6.458901|8.898567|4.387904|3.614694|7.662871|9.629676|14.090256|8.621574|8.621187|14.228863|73.516695| |4.138377|5.941886|0.181492|7.443624|12.437768|0.248488|7.506351|8.439651|5.085983|30.711815|6.091468|7.621865|3.836894|3.081172|2.732601|2.827808|3.376168|4.112394|2.395021|3.780421|4.246560|2.062726|2.041360|3.991392|2.449611|1.726816|1.578800|1.977320|1.498361|1.619811|1.329245|2.256146|1.269615|1.182695|1.151544|1.212717|2.297736|36.858105| |17.533433|8.765420|0.173509|6.800398|4.529756|0.110535|4.241722|6.287294|6.843969|25.202607|6.371438|5.196987|3.231590|3.097032|2.721543|2.523814|2.592665|2.909324|2.196081|3.705266|3.636239|1.816349|1.702918|3.129476|2.095095|1.435499|1.351755|1.754160|1.364977|1.449828|1.184408|2.045137|1.115751|1.040514|1.004418|1.050865|1.998188|3.675715|0.500000| |17.540154|8.760247|0.213620|5.468928|4.035271|0.095079|3.849182|6.280711|6.903470|25.991580|6.385765|5.236407|3.678002|3.622458|3.268514|3.033640|3.060331|3.343529|2.629326|4.422754|4.300838|2.125119|1.963812|3.590446|2.392401|1.616781|1.518592|1.968586|1.548020|1.650579|1.315817|2.267733|1.228852|1.137189|1.092303|1.146849|2.198831|3.612491|0.301343|0.500000| |17.551927|8.793254|0.213122|6.863691|4.501336|0.108508|3.834427|5.622437|5.502824|22.430835|5.345321|4.780717|3.050489|2.877815|2.631649|2.542609|2.655873|2.908645|2.248902|3.755228|3.803708|1.907475|1.812303|3.354422|2.229376|1.534208|1.451431|1.866624|1.447498|1.527456|1.251170|2.144239|1.180641|1.094855|1.060363|1.117444|2.130368|4.007996|0.301688|0.301822|0.500000| |7.022331|8.884481|0.174347|17.490587|8.860394|0.223184|6.822074|7.855341|6.814780|28.098564|6.603157|6.171603|3.260132|2.885755|2.489289|2.381459|2.578450|3.025703|2.047429|3.380422|3.473334|1.725595|1.654293|3.102997|2.028767|1.411948|1.318740|1.693351|1.299238|1.386249|1.148372|1.974274|1.092075|1.023010|0.993227|1.038817|1.962911|5.485762|0.208669|0.142047|0.174334|0.500000| |6.841156|8.820760|0.214715|17.531802|8.801767|0.209657|5.513344|6.751973|5.516085|24.681588|5.524402|5.575961|3.106757|2.727009|2.436573|2.415543|2.665999|3.060148|2.103204|3.436041|3.642170|1.813154|1.763987|3.343285|2.160479|1.512852|1.416388|1.800343|1.374659|1.459898|1.213184|2.070119|1.156673|1.078202|1.050653|1.106513|2.094634|6.967295|0.167241|0.140251|0.204594|0.303461|0.500000| |4.248841|5.730738|0.132813|6.828169|8.823385|0.222696|17.493778|12.301899|7.021914|44.656918|9.995929|10.319710|4.147547|3.439706|2.800484|2.638280|2.920996|3.668075|2.194193|3.582743|3.689529|1.802957|1.718468|3.240969|2.086179|1.448361|1.330912|1.711357|1.313032|1.423675|1.166464|2.014069|1.107625|1.042408|1.007644|1.046490|1.975013|5.493082|0.120868|0.102659|0.102074|0.200997|0.139630|0.500000| |3.556051|4.871787|0.128210|5.516683|8.811037|0.211447|17.680483|12.448421|5.652003|49.729773|9.156949|14.486490|4.677119|3.591287|2.956307|2.896574|3.384911|4.452681|2.376855|3.792744|4.070861|1.963431|1.894383|3.637697|2.274492|1.586833|1.439972|1.834110|1.399704|1.531160|1.247395|2.144347|1.186435|1.115336|1.078442|1.121268|2.117532|7.045553|0.095110|0.089217|0.088681|0.139759|0.123377|0.301760|0.500000| |6.903091|8.861742|0.218961|5.526122|4.874608|0.108347|5.636636|12.419826|17.608697|49.958552|11.798933|8.346264|6.826422|6.265152|4.762598|4.132361|4.272373|5.253373|3.228989|5.255848|5.102002|2.404253|2.181015|4.028892|2.590297|1.733953|1.587117|2.053506|1.618800|1.773617|1.375365|2.379006|1.279004|1.186832|1.132838|1.181629|2.267606|4.251856|0.168019|0.206352|0.141317|0.139706|0.123770|0.143512|0.127191|0.500000| |6.976544|8.794305|0.174353|6.763466|5.684134|0.130297|6.983105|12.313965|17.509096|45.098607|11.986830|8.144245|4.823325|4.371095|3.446338|3.066249|3.208673|3.910598|2.516350|4.171517|4.081967|1.981380|1.835605|3.396760|2.220887|1.512102|1.396514|1.811213|1.412087|1.530426|1.225918|2.124361|1.151078|1.076493|1.033712|1.075110|2.045268|4.265990|0.206983|0.173334|0.141418|0.198532|0.138760|0.209219|0.143589|0.302557|0.500000| |3.328200|3.693378|0.101587|3.020647|3.018300|0.073164|3.633138|6.678841|4.962020|47.353822|13.772095|8.493067|8.936276|17.765261|8.878954|5.638376|4.937043|5.629431|4.129194|6.941983|5.942268|2.748568|2.366611|4.249614|2.787776|1.822322|1.640167|2.162320|1.732516|1.951048|1.459267|2.563403|1.339194|1.248354|1.174969|1.210256|2.329805|2.849505|0.088473|0.100735|0.078826|0.080335|0.073381|0.096483|0.095461|0.173649|0.129020|0.500000| |2.737464|2.907015|0.084666|2.414479|2.391824|0.058853|2.663091|4.542118|3.400604|27.772597|6.940750|5.840245|5.660334|8.896369|17.756610|8.949679|5.637231|4.944576|7.208625|13.469322|8.600751|3.880257|3.049298|5.228179|3.524206|2.201577|1.959819|2.618644|2.166811|2.509062|1.744463|3.084262|1.563810|1.441745|1.336522|1.376183|2.688507|2.394454|0.070899|0.084910|0.068104|0.063151|0.061490|0.069457|0.071519|0.114503|0.086402|0.212941|0.500000| |2.652751|3.084124|0.098345|2.699676|2.885398|0.069932|3.056496|4.988927|3.292511|27.825599|5.697066|6.702413|5.657121|4.936561|5.633807|8.901998|17.761054|8.924616|6.986062|8.651422|14.218495|5.173040|4.780500|9.934700|4.852194|3.114641|2.576226|3.184826|2.516829|3.003013|2.061544|3.491112|1.878506|1.704116|1.598313|1.678892|3.303762|3.283244|0.065902|0.076983|0.069092|0.066601|0.070563|0.073824|0.086641|0.099678|0.078236|0.107312|0.124247|0.500000| |3.174229|4.069227|0.127996|3.635756|4.246961|0.098456|4.870418|8.372631|4.629023|47.393429|8.055023|12.061606|8.905751|5.627122|4.944357|5.644357|8.920508|17.753848|4.097543|5.925490|7.139463|3.119187|2.959756|5.897717|3.328932|2.252463|1.956847|2.453623|1.899607|2.162023|1.632569|2.786960|1.523428|1.409049|1.342735|1.402707|2.700400|4.893881|0.079159|0.088081|0.080265|0.087619|0.090331|0.108974|0.144510|0.131527|0.105422|0.124141|0.107432|0.214370|0.500000| |2.014837|2.107104|0.064494|1.854221|1.852766|0.046700|1.898132|2.957016|2.164448|16.054676|3.726953|3.768548|2.852376|3.035149|3.816286|4.768449|4.115320|3.182751|7.300306|13.010840|16.586923|17.614908|8.810836|10.974767|9.470947|4.593181|3.879379|5.186217|4.872304|6.577538|3.113274|5.338329|2.581840|2.237009|2.002833|2.109358|4.375644|1.994316|0.051128|0.060552|0.054020|0.047557|0.050089|0.048673|0.052156|0.066410|0.054547|0.074371|0.106547|0.122817|0.079482|0.500000| |1.841002|1.953435|0.058982|1.744919|1.777210|0.045085|1.853636|2.868736|2.049793|16.082994|3.736835|3.861203|2.854031|3.032634|3.807833|4.764544|4.127525|3.190609|7.256986|12.825039|16.598868|17.609299|8.806813|11.003895|9.361065|4.630183|3.668110|4.991076|4.503111|6.811634|3.143191|5.530195|2.608125|2.305886|2.036983|2.098580|4.302434|1.905729|0.047306|0.054613|0.048963|0.045045|0.046723|0.047672|0.051727|0.062340|0.052094|0.074303|0.106118|0.123550|0.079787|0.302419|0.500000| |1.463220|1.552939|0.046859|1.450442|1.496724|0.038864|1.509685|2.219041|1.566718|11.936152|2.744814|2.983104|1.949130|1.932938|2.167872|2.542123|2.573387|2.206062|2.955372|4.946096|6.475201|4.465364|6.417595|10.493785|12.399464|17.494706|8.867446|9.387237|5.753661|6.882694|5.762906|8.465020|4.971020|4.044820|3.480910|3.703797|8.135393|1.644866|0.037790|0.042155|0.040022|0.037447|0.039814|0.038866|0.042697|0.045685|0.040179|0.048780|0.058424|0.081130|0.059963|0.110857|0.121767|0.500000| |1.623198|1.732389|0.053040|1.614202|1.664778|0.042970|1.657250|2.440427|1.723187|12.894002|2.924090|3.207802|2.118676|2.068099|2.311222|2.765572|2.882037|2.449747|3.170236|5.129375|7.195604|4.764112|7.670151|14.779228|12.539919|17.684091|8.854398|7.666265|5.000535|5.674104|4.373326|6.450690|3.963118|3.242104|2.980969|3.332730|7.223538|1.861755|0.041482|0.046699|0.044671|0.041239|0.044598|0.042252|0.046722|0.050163|0.043716|0.051657|0.061243|0.093653|0.067236|0.119600|0.117613|0.301683|0.500000| |1.379276|1.442450|0.043493|1.356145|1.381986|0.036107|1.369228|1.991272|1.426919|10.470339|2.424551|2.596483|1.674517|1.659016|1.829991|2.091069|2.118221|1.866168|2.369379|4.035244|4.965522|3.285765|4.256013|7.220923|7.675051|8.901019|17.724537|12.370356|5.685650|4.944331|7.139846|8.823068|7.291331|5.040886|4.608886|5.730508|15.325344|1.517580|0.035625|0.039652|0.038246|0.035079|0.037720|0.035416|0.038387|0.041348|0.036750|0.042395|0.049621|0.065482|0.051150|0.089189|0.086458|0.217501|0.211314|0.500000| |1.527215|1.587275|0.048254|1.473356|1.485279|0.038505|1.465246|2.154001|1.560364|11.239858|2.600615|2.747516|1.821748|1.817091|2.029196|2.339540|2.343649|2.034166|2.702800|4.608335|5.731411|3.893264|5.082979|8.257243|9.409462|8.864125|17.558969|12.518944|7.120542|5.802234|5.808788|7.859199|5.017579|3.724592|3.399584|4.033578|9.754916|1.632524|0.039146|0.044281|0.042443|0.037937|0.041062|0.037789|0.040720|0.045580|0.039950|0.046209|0.055137|0.072515|0.055178|0.110764|0.097714|0.173959|0.216456|0.303093|0.500000| |1.389136|1.424279|0.042441|1.308861|1.310279|0.034021|1.322972|1.964727|1.436777|10.536010|2.502911|2.552443|1.716010|1.780324|2.031995|2.268100|2.134482|1.849238|2.737310|5.061586|5.442330|3.945833|4.184563|6.048290|7.685474|4.965668|5.702251|12.504167|17.692710|8.863758|7.674753|14.739038|4.836042|3.857579|3.111689|3.208746|7.195955|1.397666|0.036118|0.040776|0.038037|0.034222|0.035958|0.034617|0.036662|0.042534|0.037325|0.045999|0.057516|0.063152|0.048806|0.117702|0.112568|0.128667|0.109479|0.127382|0.145176|0.500000| |1.539271|1.577512|0.047546|1.440762|1.435265|0.037059|1.435313|2.140862|1.572839|11.325806|2.665321|2.725257|1.860346|1.916124|2.194963|2.494749|2.368659|2.029894|3.028357|5.469631|6.199178|4.554979|5.064339|7.220109|9.547828|5.889220|7.168241|12.563749|17.545640|8.892926|5.942435|9.365143|4.291615|3.350225|2.881317|3.138350|7.150132|1.545358|0.039631|0.045325|0.042381|0.037382|0.039789|0.037309|0.039589|0.046663|0.040500|0.049045|0.061416|0.071001|0.053617|0.143236|0.118677|0.133981|0.132746|0.145324|0.215509|0.300595|0.500000| |1.633840|1.695484|0.050978|1.531730|1.539439|0.039477|1.572870|2.384547|1.734829|12.977251|3.055785|3.117566|2.196036|2.308910|2.750275|3.199242|2.907491|2.401629|4.229351|7.915956|8.833660|7.805615|7.156652|8.786172|12.353601|5.640482|4.964898|7.683072|8.936310|17.649398|4.494040|7.976919|3.383976|2.857849|2.438811|2.529255|5.410717|1.647851|0.042136|0.048388|0.044192|0.039759|0.041646|0.040811|0.043598|0.052132|0.044557|0.058398|0.077948|0.086696|0.061933|0.239298|0.234239|0.140837|0.127442|0.108990|0.130809|0.213070|0.217987|0.500000| |1.469517|1.537264|0.045974|1.412115|1.436708|0.037149|1.469037|2.194373|1.574017|11.993605|2.815725|2.939666|1.989673|2.052404|2.376687|2.741219|2.590091|2.186991|3.405855|6.123608|7.147232|5.571679|6.243585|8.352106|12.351905|6.867179|5.726601|9.387951|8.871510|17.516843|5.923297|10.718481|4.233652|3.561571|2.906811|2.942391|6.356110|1.543669|0.038136|0.042968|0.039834|0.036754|0.038439|0.038171|0.041146|0.046663|0.040632|0.052187|0.066366|0.078238|0.057507|0.145004|0.175230|0.199721|0.141257|0.128396|0.132753|0.216611|0.174222|0.301932|0.500000| |1.072023|1.109914|0.032696|1.052032|1.071455|0.028329|1.078086|1.554633|1.116523|8.326974|1.975228|2.077110|1.302583|1.313422|1.432979|1.569700|1.549424|1.402107|1.753973|3.114268|3.440677|2.218378|2.482811|4.112509|4.050611|3.380115|3.842743|6.173497|3.646637|3.246230|6.599689|12.154807|8.861410|17.822328|8.441722|5.860669|10.460321|1.145484|0.028210|0.030773|0.029516|0.027704|0.029038|0.028373|0.030310|0.032276|0.029318|0.034334|0.039741|0.046004|0.038183|0.060458|0.063475|0.104122|0.081998|0.115464|0.090589|0.104802|0.087027|0.078110|0.098868|0.500000| |1.005916|1.041473|0.030664|0.997953|1.017937|0.027085|1.014215|1.445904|1.037286|7.654895|1.809855|1.919067|1.180359|1.175807|1.263462|1.378724|1.384689|1.272275|1.505024|2.636391|2.944422|1.839793|2.075811|3.576013|3.258028|2.790804|3.204443|4.544503|2.704713|2.439545|4.067073|6.620750|5.844168|8.457414|17.807714|8.821234|10.449827|1.092905|0.026493|0.028660|0.027894|0.026283|0.027739|0.026702|0.028545|0.029719|0.027271|0.030807|0.034734|0.041190|0.035085|0.050213|0.051319|0.082953|0.072185|0.103013|0.079582|0.074353|0.068973|0.060025|0.070626|0.192512|0.500000| 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