Version2.0 2020-07-18T10:32:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 20-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc(cc1)[C@@H]2CC(=NN2C3=NC(=O)[C@H](S3)CC(=O)Nc4ccc(cc4C)C)c5cccs5 C28161491 RHF 6-31G(d) (6D,7F) CCc1ccc(cc1)[C@@H]2CC(=NN2C3=NC(=O)[C@H](S3)CC(=O)Nc4ccc(cc4C)C)c5cccs5 C01[X(C28H28N4O2S2)] 186 C1 604 CCc1ccc(cc1)[C@@H]1CC(=NN1C1=NC(=O)[C@H](S1)CC(=O)Nc1ccc(cc1C)C)c1cccs1 CCc1ccc(cc1)[C@@H]1CC(=NN1C1=NC(=O)[C@H](S1)CC(=O)Nc1ccc(cc1C)C)c1cccs1 CCc1ccc(cc1)[C@@H]2CC(=NN2C3=NC(=O)[C@@H](CC(=O)Nc4ccc(C)cc4C)S3)c5sccc5 InChIKey=RUKXQLXCJYXJPU-UKILVPOCSA-N InChI=1S/C28H28N4O2S2/c1-4-19-8-10-20(11-9-19)23-15-22(24-6-5-13-35-24)31-32(23)28-30-27(34)25(36-28)16-26(33)29-21-12-7-17(2)14-18(21)3/h5-14,23,25H,4,15-16H2,1-3H3,(H,29,33)/t23-,25+/m0/s1 InChI=1/C28H28N4O2S2/c1-4-19-8-10-20(11-9-19)23-15-22(24-6-5-13-35-24)31-32(23)28-30-27(34)25(36-28)16-26(33)29-21-12-7-17(2)14-18(21)3/h5-14,23,25H,4,15-16H2,1-3H3,(H,29,33)/t23-,25+/m0/s1/f/h29H CCc1ccc(cc1)[C@@H]2CC(=NN2C3=NC(=O)[C@H](S3)CC(=O)Nc4ccc(cc4C)C)c5cccs5 C01[X(C28H28N4O2S2)] 186 C01 604 CCc1ccc(cc1)[C@@H]1CC(=NN1C1=NC(=O)[C@H](S1)CC(=O)Nc1ccc(cc1C)C)c1cccs1 CC[C]1[CH][CH][C]([CH][CH]1)[C@@H]1CC(=N[N]1[C]1[N][C](=O)[C@H](S1)CC(=O)N[C]1[CH][CH][C]([CH][C]1C)C)C1=[CH][CH]=[CH]S1 CC[C]1[CH][CH][C]([CH][CH]1)[C@@H]2CC(=NN2[C]3[N]C(=O)[C@@H](CC(=O)N[C]4[CH][CH][C](C)[CH][C]4C)S3)c5sccc5 InChIKey=RUKXQLXCJYXJPU-UKILVPOCSA-N InChI=1S/C28H28N4O2S2/c1-4-19-8-10-20(11-9-19)23-15-22(24-6-5-13-35-24)31-32(23)28-30-27(34)25(36-28)16-26(33)29-21-12-7-17(2)14-18(21)3/h5-14,23,25H,4,15-16H2,1-3H3,(H,29,33)/t23-,25+/m0/s1 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1883.57 1889.17 1889.94 1891.33 1902.27 1926.33 1930.11 1943.88 1953.00 2002.90 2010.12 2015.57 2016.23 2072.48 2093.31 2100.57 2108.14 2129.42 2154.24 2183.15 2192.21 2228.19 2245.33 2250.12 2254.32 2268.86 2285.79 2290.73 2314.72 2338.48 2349.75 2352.66 2353.47 2354.52 2354.88 2359.86 2360.41 2380.10 2411.44 2439.39 2452.91 2471.90 2528.92 2553.62 2580.76 2624.32 2626.62 2721.82 2819.32 2879.04 4583.48 4603.99 4606.71 4620.57 4633.82 4656.05 4662.99 4663.97 4683.11 4699.90 4702.24 4711.33 4716.56 4734.11 4735.51 4745.97 4759.60 4816.16 4817.30 4825.06 4834.31 4845.53 4857.69 4897.70 4925.91 4951.16 4958.53 5589.65 0.548980 0.580390 0.581334 0.477289 -2238.626651 -2238.595241 -2238.594297 -2238.698342 3.489686D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE CCc1ccc(cc1)[C@@H]2CC(=NN2C3=NC(=O)[C@H](S3)CC(=O)Nc4ccc(cc4C)C)c5cccs5 C28161491 RHF 6-31G(d) (6D,10F) C1 516.165370 |X|Y|Z| 146.373252 81.379774 47.347012 82.620964 30 6 7 16 24 4 2 |36.858105| |12.422327|36.858105| 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|2.376866|2.752165|3.455732|3.715379|4.708595|5.940707|5.062725|3.886687|7.657230|0.195027|5.284153|5.627378|11.032049|19.504639|36.858105| |2.438978|2.872989|3.604071|4.067342|5.201996|5.831696|4.694989|3.815637|6.690395|0.195931|4.479637|4.322386|7.343131|11.375788|14.812695|53.358707| |2.180657|2.563191|3.062536|3.360021|3.953407|4.193729|3.669329|3.183852|4.522405|0.131301|3.414083|3.419078|5.702047|7.483345|8.638646|18.896045|36.858105| |2.118930|2.494504|2.905767|3.227116|3.662036|3.649704|3.212882|2.910025|3.763014|0.111774|2.926797|2.861869|4.557692|5.724526|5.703729|11.378836|15.984989|73.516695| |1.958905|2.264619|2.644732|2.779040|3.176785|3.503612|3.257704|2.835396|3.851671|0.106634|3.128446|3.349236|5.767148|6.817650|7.620319|10.584927|12.362046|14.245237|36.858105| |1.782960|2.028779|2.336916|2.473960|2.818478|3.053995|2.814989|2.473689|3.421004|0.097191|2.872068|3.067945|5.135706|5.842074|5.983803|8.356232|8.905148|12.445712|17.628417|0.500000| |2.030859|2.317331|2.760426|2.839696|3.320477|3.960426|3.772753|3.110153|4.647673|0.120150|3.884327|4.559990|8.853773|9.661306|10.777352|9.798668|7.108160|8.850918|10.502149|0.221762|388.023441| |1.911316|2.226258|2.528595|2.582896|2.819806|3.048064|2.969958|2.699099|3.150719|0.085617|2.634986|2.812952|4.673861|5.272674|5.189491|7.280017|7.565899|11.609017|12.507455|0.247390|48.168766|36.858105| |1.699718|1.940238|2.162961|2.177022|2.350489|2.555613|2.539996|2.326601|2.671977|0.072099|2.340985|2.561376|4.197582|4.438896|4.066093|5.344568|4.905200|7.821988|7.526626|0.194183|40.714734|12.532323|36.858105| |1.611659|1.815019|2.030601|2.050910|2.239857|2.463374|2.434821|2.198847|2.649130|0.071502|2.371842|2.650815|4.365770|4.463959|4.017275|5.062594|4.440574|6.909667|6.883903|0.197972|43.230486|7.994597|15.885363|73.516695| |1.628735|1.856302|2.025133|2.012885|2.122246|2.271555|2.294674|2.159490|2.314105|0.062369|2.053546|2.219924|3.537729|3.710261|3.254208|4.365737|3.870925|6.544152|5.085349|0.132900|29.587189|7.905074|14.021775|14.953849|53.358707| |1.477878|1.660282|1.787841|1.765694|1.847899|1.974430|2.009572|1.906059|2.014834|0.054248|1.831930|1.989885|3.113344|3.182373|2.692246|3.564786|3.030194|5.160731|3.798157|0.103202|24.011315|5.029620|7.645580|11.648751|18.294484|36.858105| |1.363666|1.514596|1.633378|1.625162|1.713649|1.832345|1.847445|1.738756|1.901375|0.051519|1.752916|1.914259|2.975802|2.999116|2.511231|3.297387|2.772546|4.708097|3.480945|0.099148|22.557579|4.222635|6.260178|11.518334|10.592467|13.740287|36.858105| |1.257534|1.383630|1.477490|1.463633|1.532225|1.631851|1.653680|1.569024|1.686569|0.045677|1.577397|1.718776|2.627760|2.619650|2.143169|2.812063|2.308896|3.950379|2.785503|0.079161|18.655012|3.241046|4.323801|8.009191|6.991427|7.934948|13.765893|36.858105| |1.240066|1.362661|1.440187|1.414480|1.464554|1.553602|1.590200|1.527232|1.584149|0.042727|1.485298|1.609691|2.439708|2.433357|1.968832|2.594089|2.106464|3.629000|2.474983|0.068848|16.716740|2.900730|3.679349|6.494828|6.149377|6.804320|7.891176|13.744978|36.858105| |1.325632|1.467844|1.545129|1.506706|1.548447|1.640373|1.693005|1.639470|1.651082|0.044329|1.534943|1.656651|2.518742|2.533643|2.057762|2.725491|2.219826|3.836207|2.591111|0.070419|17.336579|3.141335|3.932946|6.553512|7.044910|7.963403|6.927620|8.024087|13.719864|36.858105| |1.453818|1.629607|1.728429|1.686216|1.737375|1.845526|1.904828|1.838781|1.851180|0.049600|1.695426|1.829720|2.820173|2.871866|2.375913|3.158711|2.619556|4.513377|3.116830|0.083173|20.313682|4.002476|5.201702|8.066479|10.724768|13.636913|7.905995|6.857175|7.828559|13.734697|36.858105| |1.570567|1.778600|1.868116|1.801105|1.828687|1.931436|2.018762|1.982647|1.895236|0.050516|1.721219|1.838541|2.823201|2.909346|2.397261|3.222995|2.653314|4.611798|3.047370|0.078824|19.809685|3.975808|4.640892|6.886507|9.063015|7.505733|5.004861|4.440502|5.001560|7.581288|12.597252|36.858105| |1.137788|1.238827|1.299943|1.275479|1.315202|1.389503|1.423114|1.373602|1.415372|0.038236|1.341188|1.448167|2.166107|2.147845|1.712071|2.257739|1.806853|3.126299|2.075685|0.057960|14.230568|2.359180|2.856341|5.110835|4.527412|4.419361|5.007387|7.538760|12.607083|7.548900|4.993903|3.785826|36.858105| |2.165849|2.266725|2.704330|2.702954|3.159808|4.011168|4.034801|3.192693|5.004184|0.116328|7.227250|13.018855|10.897964|7.308229|4.051400|4.465017|2.761261|4.222313|2.791552|0.072654|26.267109|2.425342|2.289364|4.268605|2.746532|1.850794|1.801633|1.642379|1.544064|1.576933|1.716510|1.712480|1.403895|36.858105| |1.937715|2.031965|2.366243|2.336938|2.660995|3.269376|3.363669|2.771217|3.895998|0.093957|4.876871|7.546037|8.806754|6.038886|3.639465|4.016859|2.583145|3.962529|2.715486|0.071405|25.876290|2.397299|2.332981|4.430975|2.804519|1.917121|1.885290|1.728933|1.621186|1.643551|1.776240|1.751882|1.477327|14.082500|36.858105| |1.789124|1.840894|2.096254|2.059898|2.293908|2.722889|2.815983|2.413201|3.116953|0.077378|3.860043|5.096367|5.970804|4.575045|2.862974|3.298512|2.164733|3.396961|2.260810|0.060203|20.407579|2.040410|2.009492|3.803487|2.463181|1.711417|1.694737|1.578868|1.491525|1.504538|1.603989|1.580666|1.377156|8.214163|13.328859|36.858105| |1.847578|1.869346|2.124862|2.094991|2.327324|2.735491|2.809542|2.425943|3.100767|0.077418|4.000391|4.874778|5.374923|4.306613|2.659917|3.132190|2.036857|3.230406|2.075562|0.055267|18.201546|1.874929|1.821798|3.403499|2.248963|1.558314|1.536481|1.434654|1.362412|1.379004|1.468983|1.459169|1.263136|7.701445|8.246029|14.139929|36.858105| |2.133763|2.157261|2.518301|2.515650|2.866801|3.454381|3.471969|2.895174|4.029227|0.098316|5.871855|6.810554|6.539450|5.270616|3.082306|3.622319|2.279493|3.594450|2.256627|0.059470|19.811989|2.004695|1.898182|3.503210|2.325799|1.585618|1.547717|1.430025|1.356592|1.383544|1.489602|1.493155|1.248743|10.962312|7.449229|7.463680|11.076436|388.023441| |17.553673|8.767300|6.798945|5.932018|4.361149|3.766941|3.969452|5.036609|2.956611|0.078292|2.765971|2.399485|3.146263|3.446141|2.348322|3.306853|2.157084|3.741706|1.919220|0.048867|14.104731|1.849219|1.641994|2.781561|2.129464|1.419425|1.317925|1.215208|1.193048|1.268265|1.388025|1.487209|1.096203|2.155458|1.911265|1.768595|1.841792|15.288523|0.500000| |17.552143|8.764007|6.797571|5.006376|3.951306|3.767540|4.389435|5.987400|2.955141|0.075385|2.833584|2.535764|3.316466|3.538008|2.381864|3.254369|2.124713|3.620981|1.936050|0.048943|14.567150|1.883213|1.689705|2.867137|2.198791|1.472599|1.362427|1.259269|1.242088|1.325327|1.449346|1.560357|1.141396|2.312781|2.062929|1.913952|1.989079|16.381700|0.301820|0.500000| |17.544770|8.774695|5.478930|4.413441|3.404087|3.100009|3.414219|4.429010|2.500078|0.065716|2.345171|2.121581|2.829846|3.051008|2.121444|2.968430|1.987427|3.465988|1.802007|0.045824|13.154775|1.778692|1.595169|2.684749|2.101140|1.410153|1.301077|1.206119|1.195563|1.279906|1.397218|1.514821|1.101625|1.938716|1.758981|1.638883|1.687706|13.625483|0.301127|0.301156|0.500000| |8.853996|17.547463|8.919245|7.152086|4.728698|3.966584|4.216043|5.667223|3.026651|0.080488|2.640941|2.363142|3.252496|3.680565|2.632708|3.837459|2.559697|4.529983|2.232532|0.055834|15.816629|2.207222|1.912268|3.161311|2.502465|1.640684|1.495227|1.365174|1.344804|1.449711|1.610730|1.761658|1.222696|2.075191|1.872951|1.700021|1.720804|14.019771|0.210805|0.172993|0.213064|0.500000| |8.854084|17.542697|8.916406|5.684638|4.221370|3.966866|4.724961|7.124665|3.024795|0.077355|2.698819|2.491670|3.439787|3.791984|2.679789|3.756671|2.506538|4.322062|2.258983|0.055947|16.471655|2.265370|1.988300|3.287726|2.616362|1.723815|1.560714|1.428097|1.415728|1.536137|1.708151|1.886152|1.285918|2.213060|2.013620|1.826652|1.837913|14.839766|0.173024|0.210694|0.213114|0.304123|0.500000| |5.502488|6.984850|8.919309|17.699542|8.943368|5.643407|4.970599|5.666026|4.101034|0.114627|3.367812|2.813785|3.835282|4.576855|3.220609|4.898488|3.087453|5.450804|2.548822|0.063986|18.015296|2.391580|2.026683|3.388477|2.574034|1.667055|1.538534|1.391259|1.347219|1.433264|1.597179|1.706103|1.219659|2.373100|2.079342|1.857824|1.894159|15.952770|0.170715|0.128089|0.124556|0.214533|0.144093|0.500000| |3.534618|4.089276|5.633000|8.935640|17.713377|8.928446|5.663874|4.973336|7.032601|0.228214|4.947548|3.777123|5.151647|6.727828|4.558598|7.205905|4.037134|6.801157|3.160589|0.079491|22.842634|2.752855|2.293016|3.905791|2.805123|1.795794|1.678939|1.500773|1.427042|1.499397|1.677407|1.749678|1.283526|2.975249|2.519404|2.185090|2.220786|19.362784|0.105647|0.092778|0.083244|0.112426|0.097355|0.216826|0.500000| |3.556308|4.092709|5.631679|4.970546|5.660233|8.885232|17.698154|8.961052|6.942075|0.140267|6.268490|6.215429|8.611777|9.096186|5.168793|6.031918|3.534874|5.397035|3.301325|0.079191|28.875391|3.012441|2.633687|4.547107|3.221173|2.085934|1.923089|1.722781|1.654612|1.757928|1.974630|2.079297|1.479252|4.780843|3.979439|3.241559|3.176076|27.768277|0.093401|0.106686|0.083636|0.097206|0.112310|0.107802|0.124176|0.500000| |5.566227|6.986750|8.903698|5.668138|4.971635|5.639332|8.957155|17.695276|4.087334|0.096443|3.708371|3.492153|4.784538|5.156361|3.422147|4.485363|2.850113|4.652237|2.625780|0.063932|20.604235|2.560837|2.254286|3.787894|2.888718|1.893921|1.721972|1.564301|1.535272|1.655800|1.849660|2.010078|1.385104|3.038527|2.703669|2.387416|2.389230|19.760719|0.129473|0.174135|0.125544|0.143582|0.213042|0.124264|0.107843|0.217442|0.500000| |3.001958|3.121519|4.022550|4.203901|5.312570|7.298731|6.515810|4.730012|8.675101|0.182549|17.606110|8.783046|8.345262|8.248670|4.298165|5.170844|2.994155|4.674491|2.749519|0.070039|23.572209|2.393158|2.141314|3.823287|2.601881|1.718602|1.638038|1.485672|1.411513|1.464245|1.610070|1.648170|1.281477|6.485556|4.476132|3.736202|4.037506|43.779240|0.085614|0.089244|0.071317|0.077757|0.080413|0.097704|0.132883|0.185564|0.113797|0.500000| |2.453806|2.574055|3.201724|3.519817|4.558992|5.649756|4.577930|3.530086|8.665642|0.224701|17.556171|8.894816|8.650674|8.666504|4.575924|5.502881|3.167456|4.914171|2.902188|0.075984|24.858873|2.432729|2.182309|3.964084|2.610276|1.722727|1.665624|1.505505|1.412978|1.449600|1.590679|1.602506|1.282240|6.391370|4.492628|3.708117|3.935825|41.116277|0.070711|0.070720|0.059800|0.066585|0.066584|0.085818|0.127477|0.128482|0.086142|0.302107|0.500000| |1.861462|2.170341|2.431075|2.512397|2.706901|2.829728|2.722637|2.527046|2.881304|0.080012|2.409647|2.507033|4.046183|4.608296|4.396663|6.623136|7.162160|13.111539|8.972835|0.213386|36.240848|17.555460|8.886794|10.943022|9.749813|4.718270|3.978198|3.100830|2.799746|3.038717|3.841993|3.868623|2.293908|2.175258|2.133845|1.843852|1.714469|13.064552|0.050223|0.050441|0.048415|0.060706|0.061093|0.065798|0.074464|0.075112|0.066365|0.061297|0.062548|0.500000| |2.082941|2.466388|2.808950|2.808516|3.019828|3.294068|3.308282|3.038705|3.281455|0.087026|2.721869|2.900904|4.820510|5.465185|5.252505|7.262668|6.818526|10.441086|8.828108|0.173927|45.403998|17.535763|8.908390|11.038260|9.656622|4.719631|3.822579|3.030512|2.805665|3.122184|4.012749|4.255620|2.297775|2.489264|2.446217|2.078117|1.914485|14.625968|0.055357|0.057047|0.053720|0.067523|0.070640|0.071388|0.079895|0.093346|0.080671|0.069526|0.068545|0.302841|0.500000| |1.695455|1.950602|2.112772|2.093590|2.180489|2.305682|2.336962|2.232278|2.302323|0.062137|2.022686|2.153656|3.405319|3.632115|3.179902|4.380550|3.907672|6.811612|4.817268|0.122189|27.362190|7.755972|9.496076|10.892902|26.088701|9.256069|5.826493|4.304558|4.033599|4.823989|7.350969|7.548355|3.069099|1.945508|1.963410|1.729809|1.594069|11.816617|0.045076|0.046426|0.044762|0.054023|0.056379|0.054861|0.058633|0.066158|0.060977|0.052662|0.052308|0.216284|0.212502|0.500000| |1.364788|1.513996|1.646252|1.653222|1.762116|1.888566|1.881600|1.751584|1.989216|0.054238|1.831644|2.006423|3.138235|3.164399|2.676192|3.503199|2.973599|5.010145|3.835093|0.113589|24.565671|4.481080|6.807258|14.186152|9.691739|8.941218|17.801566|8.934445|5.636016|4.986960|5.638954|4.082543|4.089639|1.881423|1.969699|1.760467|1.591733|11.422075|0.036820|0.037868|0.036030|0.041521|0.043032|0.043445|0.048278|0.054387|0.047797|0.047131|0.048600|0.116332|0.107747|0.147335|0.500000| |1.191488|1.302655|1.391685|1.384419|1.454121|1.547419|1.559807|1.475270|1.611622|0.043819|1.519625|1.656935|2.516978|2.493517|2.024566|2.650849|2.159438|3.694495|2.584679|0.074676|17.516531|2.901153|3.755073|7.226258|5.675491|5.656831|8.971097|17.702967|8.915949|5.675412|4.942832|3.550092|6.971380|1.594858|1.686181|1.549909|1.407587|9.918930|0.032103|0.033181|0.031745|0.035695|0.037183|0.036625|0.039741|0.045146|0.040767|0.039710|0.040556|0.077343|0.074792|0.098894|0.216894|0.500000| |1.299640|1.434476|1.495797|1.450073|1.477751|1.558990|1.618642|1.582971|1.555840|0.041709|1.452268|1.559519|2.349954|2.362335|1.897957|2.521474|2.030416|3.526555|2.318016|0.062586|15.654551|2.770993|3.311217|5.503896|5.714389|5.663645|4.978184|5.684137|8.940952|17.690383|8.974189|7.101343|7.025301|1.490798|1.550408|1.429410|1.316634|9.382503|0.034443|0.036102|0.035028|0.039371|0.041887|0.038417|0.039644|0.046598|0.044689|0.038745|0.038083|0.075007|0.077916|0.113881|0.108064|0.124501|0.500000| |1.589757|1.811027|1.894608|1.839285|1.858838|1.937836|2.006640|1.982977|1.889948|0.050788|1.699417|1.791900|2.744819|2.874761|2.388020|3.282026|2.744035|4.884565|3.086292|0.079933|19.308250|4.092038|4.535913|6.549753|8.833451|6.529156|4.522333|3.954243|4.294232|5.944193|8.777845|17.500139|3.361559|1.655191|1.675608|1.511000|1.405077|10.311878|0.041897|0.043522|0.042677|0.050330|0.053203|0.048745|0.049635|0.056659|0.055424|0.045191|0.044068|0.116215|0.121007|0.230538|0.106307|0.090067|0.156556|0.500000| |1.703435|1.945248|2.057369|1.964448|1.995366|2.130620|2.255999|2.212539|2.077204|0.054780|1.877180|2.017781|3.125688|3.219754|2.657300|3.532271|2.882215|4.916589|3.328811|0.083739|22.105230|4.401643|5.013679|7.318068|9.292021|6.738601|4.597753|3.970448|4.258795|5.831946|8.813763|17.543694|3.316387|1.869056|1.910405|1.709112|1.572448|11.483029|0.044557|0.047173|0.045414|0.053120|0.057695|0.051193|0.052513|0.065010|0.062651|0.049952|0.048083|0.114290|0.138300|0.215661|0.108491|0.090431|0.151537|0.301526|0.500000| |1.510737|1.697443|1.761300|1.686848|1.698270|1.787306|1.879938|1.865102|1.744775|0.046451|1.601174|1.705666|2.586991|2.645696|2.141945|2.874518|2.322568|4.049158|2.610047|0.067980|17.365559|3.257667|3.691752|5.722915|6.606538|5.563663|4.181968|3.996550|4.780615|7.332384|8.870794|17.597045|3.843142|1.604374|1.644561|1.499164|1.388715|10.051790|0.039638|0.041773|0.040737|0.046665|0.050237|0.044540|0.045064|0.053803|0.052985|0.042909|0.041489|0.088449|0.096831|0.147025|0.096132|0.090859|0.228719|0.303196|0.302128|0.500000| |1.096609|1.192781|1.246835|1.227528|1.262471|1.324349|1.350266|1.308173|1.345991|0.036545|1.272744|1.363438|2.031206|2.027908|1.617532|2.153449|1.728882|3.022860|1.963514|0.055099|13.272231|2.226733|2.647522|4.686652|4.192722|3.968916|4.426256|6.206829|8.836140|6.300175|4.444301|3.502421|17.526357|1.318304|1.378510|1.287640|1.188205|8.386842|0.029402|0.030458|0.029565|0.032845|0.034327|0.032762|0.034344|0.038749|0.036553|0.033815|0.033909|0.061123|0.060009|0.080409|0.103263|0.165500|0.170440|0.089578|0.084239|0.099214|0.500000| |1.137075|1.235573|1.290186|1.257983|1.290560|1.364375|1.407515|1.365933|1.381396|0.037162|1.313528|1.418213|2.112254|2.087852|1.651725|2.173181|1.723701|2.977219|1.961897|0.054195|13.610469|2.225687|2.646149|4.692298|4.178162|3.956656|4.201464|5.655648|8.831295|7.054712|4.686338|3.765209|17.563214|1.380316|1.453792|1.361016|1.249870|8.764480|0.030338|0.031749|0.030657|0.033804|0.035776|0.033393|0.034841|0.040714|0.038490|0.035037|0.034791|0.059879|0.061191|0.080066|0.096964|0.143454|0.211659|0.091386|0.092318|0.110880|0.302144|0.500000| |1.102570|1.195298|1.258200|1.237554|1.281797|1.358082|1.387228|1.332042|1.393508|0.037671|1.329330|1.441501|2.151023|2.117098|1.679731|2.202057|1.752460|3.016494|2.018109|0.056814|14.013485|2.249689|2.722681|5.004223|4.169307|3.953206|4.704179|7.104616|8.838289|5.629743|4.176340|3.241798|17.570640|1.406475|1.489258|1.393964|1.274460|8.901796|0.029583|0.030794|0.029608|0.032703|0.034350|0.032844|0.034819|0.040172|0.037255|0.035222|0.035426|0.060367|0.060441|0.077554|0.111851|0.213365|0.143072|0.080772|0.081520|0.089976|0.302132|0.301778|0.500000| |1.878904|1.998046|2.321813|2.290332|2.602617|3.190794|3.290327|2.718726|3.791139|0.091973|4.394842|6.722806|9.356554|6.275182|3.933888|4.240739|2.770676|4.199181|3.011184|0.079065|29.975076|2.652507|2.621222|5.062327|3.112683|2.126674|2.098047|1.911129|1.778547|1.798631|1.951760|1.907822|1.608446|8.928733|17.760974|8.588283|5.732203|37.699551|0.051180|0.055138|0.047574|0.051441|0.055427|0.056688|0.068524|0.108405|0.073904|0.109595|0.111475|0.064566|0.074862|0.059851|0.061158|0.051704|0.046802|0.050339|0.058029|0.049448|0.041444|0.043848|0.045122|0.500000| 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