Version2.1 2021-01-11T19:04:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 11-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(ccc1NC(=O)C2CC[NH+](CC2)Cc3ccc(c(c3)Cl)Cl)CSc4ccccc4 C38851517 RHF 6-31G(d) (6D,7F) Cc1cc(ccc1NC(=O)C2CC[NH+](CC2)Cc3ccc(c(c3)Cl)Cl)CSc4ccccc4 C01[X(C27H29Cl2N2O1S1)] 180 C1 565 O=C(C1CC[NH+](CC1)Cc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1C)CSc1ccccc1 O=C(C1CC[NH+](CC1)Cc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1C)CSc1ccccc1 Cc1cc(CSc2ccccc2)ccc1NC(=O)C3CC[NH+](CC3)Cc4ccc(Cl)c(Cl)c4 InChIKey=OXBLEMWKOUWUPI-UHFFFAOYSA-O InChI=1S/C27H28Cl2N2OS/c1-19-15-21(18-33-23-5-3-2-4-6-23)8-10-26(19)30-27(32)22-11-13-31(14-12-22)17-20-7-9-24(28)25(29)16-20/h2-10,15-16,22H,11-14,17-18H2,1H3,(H,30,32)/p+1 InChI=1/C27H28Cl2N2OS/c1-19-15-21(18-33-23-5-3-2-4-6-23)8-10-26(19)30-27(32)22-11-13-31(14-12-22)17-20-7-9-24(28)25(29)16-20/h2-10,15-16,22H,11-14,17-18H2,1H3,(H,30,32)/p+1/fC27H29Cl2N2OS/h30-31H/q+1 Cc1cc(ccc1NC(=O)C2CC[NH+](CC2)Cc3ccc(c(c3)Cl)Cl)CSc4ccccc4 C01[X(C27H29Cl2N2O1S1)] 180 C01 565 O=C(C1CC[NH+](CC1)Cc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1C)CSc1ccccc1 O=C([C@@H]1CC[NH](CC1)C[C]1[CH][CH][C]([C]([CH]1)Cl)Cl)N[C]1[CH][CH][C]([CH][C]1C)CS[C]1[CH][CH][CH][CH][CH]1 C[C]1[CH][C]([CH][CH][C]1NC(=O)C2CC[NH](CC2)C[C]3[CH][CH][C](Cl)[C](Cl)[CH]3)CS[C]4[CH][CH][CH][CH][CH]4 InChIKey=BYFSCGRGIVAQBK-UHFFFAOYSA-N InChI=1S/C27H29Cl2N2OS/c1-19-15-21(18-33-23-5-3-2-4-6-23)8-10-26(19)30-27(32)22-11-13-31(14-12-22)17-20-7-9-24(28)25(29)16-20/h2-10,15-16,22,31H,11-14,17-18H2,1H3,(H,30,32) InChI=1/C27H29Cl2N2OS/c1-19-15-21(18-33-23-5-3-2-4-6-23)8-10-26(19)30-27(32)22-11-13-31(14-12-22)17-20-7-9-24(28)25(29)16-20/h2-10,15-16,22,31H,11-14,17-18H2,1H3,(H,30,32)/f/h30H 3382.1158282923 -2539.3939401 1-A 44513.3879 131 434 565 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1574.18 1582.47 1587.90 1591.66 1614.75 1617.19 1629.64 1646.44 1652.72 1672.63 1683.91 1695.94 1721.25 1736.32 1739.63 1743.05 1746.53 1769.30 1791.68 1817.24 1818.49 1822.14 1853.79 1871.28 1886.32 1907.80 1912.88 1918.95 1942.98 1951.60 1989.01 2000.59 2023.72 2039.49 2054.23 2076.58 2095.23 2102.31 2102.44 2136.05 2171.74 2193.68 2201.33 2240.66 2247.33 2255.03 2260.39 2273.90 2279.62 2294.58 2307.25 2348.55 2351.41 2354.35 2354.76 2364.15 2364.63 2370.11 2376.00 2380.37 2390.51 2410.34 2474.77 2525.86 2553.81 2577.52 2583.00 2585.13 2621.59 2804.70 4578.70 4618.23 4658.11 4661.06 4664.76 4682.10 4694.95 4700.61 4716.47 4729.13 4735.05 4749.80 4758.04 4784.57 4800.84 4816.87 4836.75 4842.51 4848.84 4849.77 4854.43 4856.12 4865.81 4876.07 4885.22 4911.52 4943.27 5297.56 5601.35 0.548909 0.578131 0.579075 0.479800 -2538.845031 -2538.815809 -2538.814865 -2538.914140 3.329700D-04 MUNgauss RevisionA2.0 retrievium 11-Jan-2021 DUDE Cc1cc(ccc1NC(=O)C2CC[NH+](CC2)Cc3ccc(c(c3)Cl)Cl)CSc4ccccc4 C38851517 RHF 6-31G(d) (6D,10F) C1 499.137766 |X|Y|Z| 54.537131 36.895675 200.443398 73.884471 29 6 7 16 26 2 1 |36.858105| |12.597180|36.858105| |7.579915|13.741499|36.858105| |5.003576|7.840235|13.718172|36.858105| |4.433321|6.840323|7.998140|13.743379|36.858105| |4.997456|7.885797|6.916455|7.907882|13.773448|36.858105| |7.498386|13.650814|7.985306|6.841049|7.952008|13.754294|36.858105| |6.652113|7.870929|5.174388|4.524613|5.135038|7.777953|13.358507|53.358707| |4.673413|5.237654|3.953990|3.698686|4.335445|6.273122|7.678656|19.262727|36.858105| |3.897811|4.558698|3.700474|3.663878|4.497033|6.437770|6.548284|11.441007|15.877508|73.516695| |3.948197|3.979815|3.129802|2.896652|3.235118|4.211242|4.990765|10.632467|12.438245|14.384213|36.858105| |3.107989|3.217573|2.666299|2.559052|2.904673|3.676804|3.985177|7.404276|7.637048|11.700591|12.412651|36.858105| |2.639276|2.637668|2.239369|2.140214|2.362867|2.851296|3.081573|5.371838|4.930580|7.914138|7.498224|12.512220|36.858105| |2.497719|2.469502|2.114634|2.017185|2.204537|2.618487|2.829479|4.812122|4.434665|7.427818|6.443297|7.645545|12.671754|53.358707| |2.405168|2.428656|2.100116|2.031018|2.245137|2.664748|2.813846|4.695363|4.439816|7.911298|5.943086|7.203302|9.315870|25.679229|0.500000| |2.860170|2.748813|2.309439|2.155845|2.321433|2.768962|3.104138|5.395025|4.933429|7.887818|7.498676|6.522556|7.704446|17.239342|0.259489|36.858105| |3.491922|3.427566|2.787925|2.585826|2.827442|3.502487|4.033590|7.461500|7.647932|11.625607|12.407764|7.590390|6.527715|10.418554|0.200854|12.513630|36.858105| |2.130216|2.084252|1.821511|1.742042|1.877572|2.170651|2.321949|3.793862|3.289460|5.582914|4.332978|4.957506|7.630948|17.149573|0.258526|7.566032|4.942448|36.858105| |1.951919|1.912345|1.693378|1.626574|1.743349|1.985697|2.104691|3.350158|2.875092|5.022254|3.562060|3.824545|4.973706|10.325482|0.203132|6.144215|4.298046|12.640783|36.858105| |1.897410|1.829404|1.625902|1.549173|1.637780|1.845900|1.974783|3.109653|2.599650|4.491295|3.159636|3.204539|3.946051|7.464806|0.142205|5.386977|3.860475|7.548123|13.722402|36.858105| |1.732180|1.677929|1.510272|1.446898|1.523583|1.695646|1.796357|2.769964|2.290703|4.027019|2.672187|2.682084|3.134144|5.569639|0.112531|4.108400|3.232397|5.025320|7.934195|13.789752|36.858105| |1.634576|1.607405|1.458818|1.412986|1.497531|1.659493|1.731596|2.641181|2.198629|3.951945|2.506223|2.562031|2.933046|5.115681|0.109222|3.616656|2.990762|4.438890|6.840875|7.924157|13.737335|36.858105| |1.667569|1.661401|1.505804|1.469928|1.575846|1.757518|1.815647|2.781258|2.355532|4.295313|2.690514|2.845134|3.286614|5.802588|0.130513|3.816146|3.176754|5.032727|7.897268|6.863045|7.936609|13.697803|36.858105| |1.813253|1.807659|1.619906|1.577009|1.702558|1.925826|1.999969|3.125169|2.694966|4.870645|3.190454|3.495219|4.269133|8.071076|0.185300|4.778745|3.767032|7.613085|13.730546|7.959944|6.905588|7.942728|13.756622|36.858105| |1.524109|1.540247|1.414673|1.399009|1.506516|1.662028|1.685054|2.531550|2.130985|3.971739|2.345268|2.503370|2.772112|4.563438|0.104863|3.006672|2.677175|3.684479|4.784509|4.233441|4.754451|6.980435|11.044837|7.114140|448.794386| |1.467983|1.445919|1.329298|1.292780|1.360866|1.486498|1.540292|2.303951|1.884899|3.410122|2.084024|2.103884|2.327065|3.845725|0.081988|2.790029|2.434861|3.167977|4.227417|4.793312|7.107831|11.062390|6.995039|4.762356|47.665031|448.794386| |3.789592|5.003603|7.565728|12.629177|7.557226|5.018628|4.437541|4.534205|2.871030|5.132050|2.358322|2.135508|1.833428|2.373064|0.048872|1.847122|2.157262|1.533399|1.446413|1.385563|1.306561|1.281672|1.328510|1.411335|10.242413|9.519413|36.858105| |3.299077|4.062695|5.451334|6.949192|5.356659|4.026747|3.667970|3.952182|2.605439|4.759699|2.172455|1.958748|1.705883|2.258131|0.046843|1.771206|2.061020|1.467897|1.406880|1.357466|1.294203|1.275437|1.315299|1.381298|10.197104|9.568067|10.388771|388.023441| |2.614103|3.044526|3.850877|4.587689|3.819341|3.031171|2.792137|3.152632|2.112259|3.842533|1.816559|1.672115|1.481767|1.960348|0.040597|1.520763|1.729564|1.293523|1.244230|1.204318|1.154391|1.140567|1.173607|1.225714|9.158636|8.625523|6.834665|75.820945|36.858105| |2.502202|2.803584|3.498298|3.864942|3.185568|2.634408|2.513892|2.891753|1.929243|3.457909|1.687841|1.551149|1.389064|1.840759|0.037893|1.432675|1.613406|1.223468|1.178095|1.147521|1.101410|1.083849|1.108854|1.155557|8.624592|8.221621|5.338951|49.043198|13.703988|36.858105| |2.133836|2.346842|2.822155|3.080733|2.650800|2.245534|2.143083|2.519718|1.700345|3.050233|1.508623|1.402234|1.267223|1.679904|0.034579|1.298725|1.445818|1.125612|1.086477|1.059577|1.020296|1.006082|1.028469|1.068394|8.032499|7.666872|4.012482|33.413772|7.916983|13.752337|36.858105| |1.937019|2.147098|2.536692|2.832832|2.528583|2.143368|2.009408|2.378856|1.624220|2.941381|1.442861|1.355513|1.226196|1.624232|0.033569|1.245705|1.382344|1.090522|1.054076|1.024438|0.988328|0.979230|1.004512|1.042135|7.894817|7.476451|3.635826|29.670221|6.854520|7.935994|13.747685|36.858105| |1.986223|2.247924|2.659512|3.080019|2.809537|2.339166|2.141486|2.516032|1.727827|3.165293|1.519914|1.433160|1.287864|1.703800|0.035389|1.301706|1.452582|1.138754|1.100219|1.063858|1.025744|1.020142|1.051544|1.092306|8.295666|7.774290|4.011703|33.418682|7.917148|6.873966|7.939533|13.748059|36.858105| |2.272721|2.639198|3.201740|3.863561|3.473095|2.789457|2.511328|2.886195|1.969711|3.628497|1.703718|1.593368|1.416413|1.872366|0.038967|1.436688|1.622834|1.240417|1.195691|1.152972|1.108280|1.101504|1.137960|1.186016|8.953142|8.354627|5.337157|49.058597|13.704120|7.933149|6.873669|7.935751|13.751885|36.858105| |17.495136|8.774946|5.941777|4.296446|3.950514|4.519393|6.523064|8.828489|4.553607|6.565701|4.048681|3.228042|2.759783|3.475083|0.067290|2.895020|3.451238|2.186774|1.973165|1.913746|1.731037|1.624223|1.658659|1.817298|12.109010|11.645395|3.359779|20.412709|2.357499|2.273126|1.973667|1.805639|1.845804|2.083524|0.500000| |17.538646|8.810633|5.833947|4.260919|3.963178|4.586890|6.718750|9.263718|5.057559|7.389886|4.375205|3.290509|2.812351|3.708023|0.072620|3.230937|4.036785|2.301767|2.120252|2.075215|1.889665|1.771171|1.797202|1.954370|13.056617|12.710408|3.324341|21.728875|2.428476|2.319454|1.992365|1.819569|1.869694|2.131788|0.301026|0.500000| |17.610119|8.874840|7.331412|4.779928|3.990060|4.176860|5.563320|6.603000|3.714292|5.757907|3.240375|2.643834|2.304402|3.003448|0.059215|2.507173|2.967635|1.920203|1.781069|1.748072|1.612343|1.523502|1.543894|1.661632|11.387465|11.103207|3.846126|24.226534|2.732160|2.678680|2.269807|2.025455|2.047004|2.331561|0.303437|0.302556|0.500000| |7.086914|8.968090|17.708389|8.944237|5.676383|4.973816|5.671075|5.709663|3.326796|5.527337|2.760071|2.369828|2.038705|2.642454|0.053302|2.126789|2.512819|1.696315|1.586784|1.538180|1.435854|1.383015|1.416954|1.514666|10.683166|10.183963|7.045425|38.548929|3.996943|3.815662|3.036158|2.649710|2.706013|3.214268|0.156186|0.151494|0.228108|0.500000| |3.546103|4.935206|5.666602|8.915735|17.718660|8.962842|5.661702|5.671524|3.757552|7.193341|2.897143|2.691804|2.215677|2.821328|0.059176|2.146624|2.569049|1.781564|1.664015|1.557893|1.457816|1.444682|1.527115|1.642626|11.856845|10.594475|6.990284|37.218644|3.919986|3.173872|2.681697|2.626709|3.001501|3.747817|0.090009|0.090297|0.090764|0.124472|0.500000| |4.077442|5.628239|4.980628|5.642383|8.939377|17.794984|8.929690|9.685676|6.784349|13.883327|4.474684|4.103615|3.091151|3.820332|0.080612|2.892164|3.664119|2.300728|2.094513|1.918040|1.757238|1.733272|1.858845|2.051572|14.197208|12.391523|4.096172|24.569405|2.710381|2.360081|2.050712|1.987892|2.182104|2.567179|0.106274|0.108224|0.096030|0.107981|0.216634|0.500000| |7.491255|7.328826|4.819927|4.041352|4.311044|5.841872|9.234177|26.099775|9.505735|10.875406|7.582672|5.228654|3.982953|4.796039|0.092563|4.015325|5.298032|2.817551|2.458815|2.306786|2.038165|1.918119|2.001035|2.253364|14.466025|13.404923|3.072928|19.016797|2.177378|2.032295|1.781781|1.673272|1.750274|1.985884|0.229684|0.212277|0.146304|0.113622|0.099034|0.147866|0.500000| |4.294354|4.072435|3.153420|2.838433|3.075273|3.911013|4.840323|10.304037|8.759009|10.444401|17.522500|8.846719|6.720306|7.638643|0.135633|6.726280|8.843947|4.090443|3.328625|3.040978|2.559414|2.357130|2.481210|2.913187|17.265241|15.849365|2.318244|15.026078|1.779488|1.671335|1.495822|1.422371|1.486378|1.658189|0.128532|0.132183|0.096869|0.078364|0.075768|0.110634|0.246136|0.500000| |3.116201|3.262069|2.715697|2.619489|2.986209|3.781735|4.054438|7.385165|6.789282|10.252266|8.775680|17.568797|8.981976|7.599150|0.145712|4.898358|5.507810|4.131947|3.243266|2.778551|2.362201|2.262903|2.491842|2.997434|17.947195|15.199415|2.182995|13.943693|1.684106|1.563321|1.416029|1.370573|1.448859|1.607885|0.091964|0.088837|0.073623|0.066859|0.076974|0.117639|0.148044|0.215575|0.500000| |2.884365|3.079223|2.606846|2.564539|2.974387|3.759920|3.867524|6.785613|7.266267|13.354421|8.872457|17.569474|8.858899|9.326883|0.210268|5.677057|6.781658|4.601675|3.750657|3.094138|2.649365|2.601149|2.953945|3.613139|21.402317|17.227539|2.150903|14.161216|1.697575|1.561193|1.412074|1.373459|1.462712|1.630533|0.081216|0.084462|0.068923|0.064007|0.077965|0.121406|0.125628|0.174268|0.303860|0.500000| |2.680389|2.608596|2.206764|2.079614|2.256815|2.695506|2.974921|5.182307|4.459069|6.880117|6.710207|8.750738|17.601230|12.432628|0.181968|7.076014|5.766435|7.030476|4.585385|3.851686|3.031164|2.761688|2.995712|3.784803|20.151686|17.770694|1.786702|11.762863|1.443681|1.363647|1.245885|1.200831|1.253734|1.373972|0.079458|0.079192|0.065167|0.056333|0.058384|0.079305|0.111624|0.195540|0.213576|0.172739|0.500000| |2.338458|2.367042|2.051445|1.989708|2.204679|2.617376|2.749016|4.599534|4.102696|6.909446|5.472281|8.810811|17.625911|12.363136|0.222903|5.617936|4.894975|7.205717|4.795199|3.707810|3.000463|2.876409|3.302578|4.335197|22.871308|18.393516|1.725665|11.419294|1.409083|1.320162|1.211423|1.178768|1.240108|1.357574|0.067781|0.068170|0.057464|0.052054|0.058284|0.079622|0.093600|0.138283|0.213454|0.215006|0.301398|0.500000| |2.914519|2.718573|2.275575|2.095866|2.223206|2.629438|2.999461|5.213245|4.470948|6.874076|6.735068|5.784857|7.098470|12.444496|0.182322|17.597011|8.758728|6.974037|5.436277|5.127880|3.868339|3.299373|3.373211|4.119246|21.491341|20.823973|1.800738|12.189865|1.480276|1.405303|1.276210|1.219604|1.267054|1.393101|0.083751|0.091391|0.071165|0.058775|0.056804|0.075015|0.112786|0.196564|0.129853|0.132664|0.216147|0.145113|0.500000| |2.609684|2.505760|2.144048|2.010653|2.147952|2.510998|2.775696|4.623636|4.104123|6.875708|5.472384|4.890617|5.620153|12.361995|0.223472|17.660657|8.808335|7.119935|7.082458|6.678026|5.053194|4.316530|4.413262|5.381921|26.708451|25.964918|1.744747|12.090686|1.466662|1.384822|1.258709|1.208249|1.260932|1.387791|0.072289|0.082178|0.064711|0.055353|0.055579|0.072455|0.094531|0.138456|0.107797|0.127278|0.144954|0.126686|0.301041|0.500000| |3.204735|3.272980|2.726765|2.591993|2.884801|3.560386|3.911809|6.826533|7.267264|13.219226|8.863524|6.780592|5.686079|9.344900|0.211455|8.856160|17.566758|4.592163|4.232437|3.724901|3.224383|3.094225|3.362835|3.941619|23.252012|20.327260|2.173710|14.976702|1.761404|1.628689|1.459301|1.402926|1.484363|1.663788|0.086021|0.101290|0.076723|0.067871|0.073851|0.106103|0.126863|0.174157|0.138777|0.197743|0.132461|0.127561|0.172757|0.214578|0.500000| |3.889593|3.669590|2.949579|2.670399|2.848280|3.476193|4.145347|7.487705|6.808192|10.175504|8.774662|5.507989|4.898599|7.603621|0.146188|8.984368|17.569154|4.115024|3.759542|3.586401|3.084207|2.818255|2.896096|3.299720|19.717226|18.870292|2.224068|15.275052|1.789209|1.678109|1.496069|1.419510|1.484157|1.661342|0.104511|0.131435|0.091700|0.074558|0.070965|0.097287|0.151643|0.215423|0.123122|0.138844|0.129376|0.107819|0.213322|0.213638|0.304019|0.500000| |2.158883|2.074393|1.807264|1.710905|1.823906|2.100107|2.278251|3.730027|3.142030|5.189019|4.169031|4.558531|6.856318|12.383192|0.182025|7.119964|4.635440|17.632765|8.828004|7.176070|4.731649|3.960585|4.180567|5.613919|25.225589|23.535601|1.507438|10.223537|1.270161|1.208270|1.112383|1.073953|1.116221|1.213201|0.062247|0.064851|0.054196|0.047054|0.047799|0.061022|0.078706|0.115639|0.109398|0.112372|0.207432|0.172193|0.216669|0.181822|0.114024|0.111706|0.500000| |1.994659|1.974652|1.740836|1.680703|1.821125|2.096249|2.208553|3.565515|3.070256|5.279550|3.916209|4.783963|7.428443|12.417464|0.219081|5.593515|4.163895|17.625992|8.877736|5.741781|4.256810|3.988081|4.703463|7.044086|29.364722|23.620357|1.486419|10.068057|1.255214|1.185761|1.094845|1.065044|1.114013|1.210247|0.057097|0.059009|0.050094|0.044985|0.048381|0.062251|0.073170|0.102552|0.115222|0.126262|0.185191|0.234898|0.145888|0.143758|0.110465|0.096932|0.301942|0.500000| |1.966167|1.866813|1.650968|1.558271|1.634742|1.842538|1.996284|3.159961|2.600551|4.397472|3.199791|3.171209|3.915169|7.107725|0.127755|5.497957|3.870063|6.945492|8.876125|17.714540|8.968573|5.651004|4.946867|5.644930|27.430533|31.833698|1.391586|9.657663|1.204974|1.153152|1.064088|1.024989|1.060480|1.148564|0.055489|0.059947|0.050365|0.043574|0.042935|0.052706|0.066129|0.088146|0.077159|0.082729|0.111268|0.099855|0.158890|0.183199|0.099577|0.102291|0.216813|0.145881|0.500000| |1.674044|1.608501|1.453988|1.387618|1.448886|1.600669|1.701797|2.602177|2.117429|3.701024|2.438908|2.404471|2.755717|4.711480|0.093941|3.605782|2.920044|4.090859|5.643817|8.922714|17.757257|8.961021|5.656719|4.972130|31.504236|54.723954|1.259125|8.904244|1.120902|1.074391|0.996899|0.963794|0.996649|1.074080|0.046428|0.050775|0.043610|0.038650|0.038462|0.045703|0.053480|0.065829|0.059578|0.065514|0.075414|0.072912|0.097252|0.121141|0.080093|0.079492|0.112291|0.098068|0.216191|0.500000| |1.805818|1.823535|1.637666|1.607955|1.753108|1.989207|2.040253|3.183532|2.772894|5.087937|3.249951|3.725365|4.528527|8.092809|0.199125|4.470008|3.696034|7.022123|8.865839|5.641504|4.969123|5.666575|9.002786|17.709860|55.158139|31.604193|1.437655|9.955915|1.242829|1.166729|1.079250|1.056417|1.111469|1.207785|0.050334|0.053618|0.045820|0.042308|0.047258|0.059588|0.063197|0.081176|0.089001|0.110383|0.107436|0.134492|0.106363|0.131121|0.109407|0.088104|0.141580|0.206472|0.123687|0.107857|0.500000| |3.247562|4.190272|5.651613|8.886836|7.152747|4.729984|3.976506|4.185884|2.711874|4.917767|2.242187|2.074662|1.783059|2.295577|0.047473|1.762424|2.041694|1.488536|1.403126|1.337411|1.262458|1.244459|1.296094|1.377106|10.059698|9.252879|17.617495|56.226499|6.502619|4.914984|3.922952|3.752991|4.326491|5.789956|0.082447|0.080332|0.089846|0.143540|0.214754|0.112323|0.078549|0.060845|0.059340|0.058519|0.048074|0.047054|0.047591|0.046222|0.057476|0.057680|0.040508|0.040359|0.037175|0.033716|0.039178|0.500000| |3.773421|4.706637|7.101182|8.879400|5.677185|4.219646|3.980003|4.195071|2.634157|4.612711|2.214738|2.006357|1.742717|2.252368|0.046044|1.756359|2.027154|1.466714|1.381993|1.330847|1.254753|1.225593|1.264376|1.341957|9.716361|9.119100|17.613482|56.242921|6.510751|5.799355|4.331740|3.756244|3.925528|4.918170|0.094280|0.090227|0.110515|0.212974|0.143889|0.097270|0.081249|0.061428|0.057218|0.055505|0.047636|0.045572|0.048032|0.046103|0.056092|0.058320|0.040321|0.039489|0.037311|0.033718|0.037843|0.302176|0.500000| |2.723305|2.997534|3.778336|3.968411|3.176662|2.667272|2.612575|3.002955|1.982657|3.514528|1.738885|1.582203|1.418594|1.882683|0.038588|1.476658|1.665081|1.250534|1.203134|1.176465|1.127536|1.104423|1.125711|1.174027|8.705784|8.366741|5.265834|46.917563|8.917099|17.728812|8.912837|5.644740|4.953461|5.645875|0.068116|0.069784|0.082877|0.119713|0.085244|0.065623|0.059098|0.048153|0.044217|0.043944|0.038854|0.037266|0.040408|0.039641|0.046395|0.048496|0.034434|0.033539|0.032964|0.030620|0.032808|0.126482|0.167169|0.500000| |2.036725|2.194373|2.601130|2.756097|2.378504|2.055050|1.991813|2.369099|1.598395|2.847890|1.432217|1.331049|1.210655|1.606960|0.032971|1.244001|1.376298|1.081736|1.045041|1.022970|0.986019|0.970101|0.988336|1.025255|7.704910|7.407258|3.450367|27.666600|5.638400|8.925852|17.718979|8.909457|5.645068|4.952493|0.052654|0.052913|0.060706|0.078760|0.066064|0.052256|0.046941|0.039660|0.037336|0.037070|0.033201|0.032147|0.034101|0.033542|0.038415|0.039650|0.029792|0.029210|0.028607|0.026836|0.028698|0.092565|0.105477|0.215183|0.500000| |1.755613|1.922619|2.231241|2.455386|2.225968|1.920206|1.809873|2.170219|1.490006|2.694717|1.335872|1.262026|1.148874|1.522863|0.031453|1.164154|1.282610|1.027932|0.995165|0.968472|0.936209|0.928341|0.951318|0.984899|7.491974|7.108862|3.042074|24.015367|4.942539|5.645226|8.914223|17.719177|8.914276|5.645101|0.045840|0.045996|0.050914|0.064627|0.064191|0.049913|0.042601|0.036640|0.035469|0.035497|0.031300|0.030775|0.031712|0.031421|0.036122|0.036511|0.028145|0.027938|0.026916|0.025394|0.027727|0.087515|0.087579|0.124129|0.214812|0.500000| |1.821985|2.055440|2.384148|2.755209|2.590755|2.186715|1.989547|2.363671|1.639551|3.019777|1.449511|1.379031|1.243147|1.644648|0.034247|1.248672|1.386717|1.102708|1.067050|1.029847|0.994807|0.992819|1.025545|1.063644|8.131249|7.581880|3.449517|27.671766|5.638555|4.952664|5.645061|8.909573|17.719199|8.926042|0.047380|0.047902|0.051711|0.066534|0.077967|0.057522|0.045635|0.039257|0.038752|0.039250|0.033545|0.033411|0.033701|0.033639|0.039485|0.039143|0.029962|0.030063|0.028446|0.026825|0.030135|0.105358|0.092607|0.107535|0.124085|0.214811|0.500000| 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