Version2.0 2019-11-28T01:42:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 06-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCNC(=O)CN(C)C(=O)c1ccc(c(c1)NS(=O)(=O)c2c(cc(cc2C)C)C)N3CC[NH2+]CC3 C33033644 RHF 6-31G(d) (6D,7F) CCCNC(=O)CN(C)C(=O)c1ccc(c(c1)NS(=O)(=O)c2c(cc(cc2C)C)C)N3CC[NH2+]CC3 C01[X(C26H38N5O4S1)] 216 C1 620 CCCNC(=O)CN(C(=O)c1ccc(c(c1)NS(=O)(=O)c1c(C)cc(cc1C)C)N1CC[NH2+]CC1)C CCCNC(=O)CN(C(=O)c1ccc(c(c1)NS(=O)(=O)c1c(C)cc(cc1C)C)N1CC[NH2+]CC1)C CCCNC(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(N[S](=O)(=O)c3c(C)cc(C)cc3C)c1 InChIKey=BQXWKARXKGXLOO-UHFFFAOYSA-O InChI=1S/C26H37N5O4S/c1-6-9-28-24(32)17-30(5)26(33)21-7-8-23(31-12-10-27-11-13-31)22(16-21)29-36(34,35)25-19(3)14-18(2)15-20(25)4/h7-8,14-16,27,29H,6,9-13,17H2,1-5H3,(H,28,32)/p+1 InChI=1/C26H37N5O4S/c1-6-9-28-24(32)17-30(5)26(33)21-7-8-23(31-12-10-27-11-13-31)22(16-21)29-36(34,35)25-19(3)14-18(2)15-20(25)4/h7-8,14-16,27,29H,6,9-13,17H2,1-5H3,(H,28,32)/p+1/fC26H38N5O4S/h27-28H/q+1 CCCNC(=O)CN(C)C(=O)c1ccc(c(c1)NS(=O)(=O)c2c(cc(cc2C)C)C)N3CC[NH2+]CC3 C01[X(C26H38N5O4S1)] 216 C01 620 CCCNC(=O)CN(C(=O)c1ccc(c(c1)NS(=O)(=O)c1c(C)cc(cc1C)C)N1CC[NH2+]CC1)C CCCNC(=O)CN(C(=O)c1ccc(c(c1)N[S@](=O)(c1c(C)cc(cc1C)C)O)N1CC[NH2]CC1)C CCCNC(=O)CN(C)C(=O)c1ccc(N2CC[NH2]CC2)c(N[S](O)(=O)c3c(C)cc(C)cc3C)c1 InChIKey=UIJQVTMFNJBBKP-UHFFFAOYSA-N InChI=1S/C26H37N4O4S2/c1-7-8-17-29(5)36(32,33)21-13-11-20(12-14-21)25(31)30(18-9-16-28(3)4)26-27-23-22(34-6)15-10-19(2)24(23)35-26/h10-15,28H,7-9,16-18H2,1-6H3 InChI=1/C26H37N4O4S2/c1-7-8-17-29(5)36(32,33)21-13-11-20(12-14-21)25(31)30(18-9-16-28(3)4)26-27-23-22(34-6)15-10-19(2)24(23)35-26/h10-15,28H,7-9,16-18H2,1-6H3 4295.9765723083 -1975.646155 1-A 27650.9434 138 482 620 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2254.05 2256.43 2260.90 2262.21 2270.52 2274.14 2279.71 2281.32 2292.22 2321.18 2331.67 2344.01 2347.58 2351.26 2354.70 2356.48 2357.12 2360.66 2362.30 2365.31 2368.07 2371.95 2376.21 2376.56 2378.72 2399.98 2400.41 2404.58 2450.88 2471.98 2524.63 2555.27 2585.86 2621.52 2625.81 2759.97 2813.44 4510.55 4520.00 4585.85 4609.60 4618.50 4623.46 4640.57 4650.02 4653.43 4666.07 4672.28 4701.38 4711.21 4713.82 4724.33 4731.88 4735.16 4754.48 4759.36 4759.37 4760.27 4762.51 4764.63 4768.20 4775.15 4791.84 4827.96 4835.55 4841.14 4842.81 4845.21 4859.47 4884.67 4885.58 5276.85 5372.16 5466.99 5564.97 0.679306 0.714693 0.715637 0.606658 -1974.966849 -1974.931462 -1974.930518 -1975.039497 3.655174D-04 MUNgauss RevisionA1.9 retrievium 28-Nov-2019 DUDE CCCNC(=O)CN(C)C(=O)c1ccc(c(c1)NS(=O)(=O)c2c(cc(cc2C)C)C)N3CC[NH2+]CC3 C33033644 RHF 6-31G(d) (6D,10F) C1 516.264412 |X|Y|Z| 60.591757 37.389950 150.270601 69.825516 20 6 7 16 16 3 1 |36.858105| |12.468968|36.858105| |7.522575|12.493413|36.858105| |4.994624|7.766058|13.099658|53.358707| |3.846064|5.141882|7.765667|19.261846|36.858105| |3.646503|4.505833|6.791574|11.527567|15.863788|73.516695| |3.059493|3.942721|5.004862|10.699573|12.450554|14.196567|36.858105| |2.571073|3.121429|3.886312|7.090025|7.710339|12.308114|13.174670|53.358707| |2.362844|2.793013|3.391683|5.774000|5.926114|10.862867|7.751588|17.782401|36.858105| |2.455518|2.912170|3.631940|6.265000|6.247242|10.576478|8.062616|19.135780|7.641529|36.858105| |2.634282|3.141586|3.956594|6.800801|6.299992|10.123324|7.255428|11.567640|5.345419|15.841334|73.516695| |2.086811|2.388157|2.878402|4.634220|4.294382|7.815078|5.054559|10.487805|6.379398|12.636110|14.527717|36.858105| |1.857900|2.111910|2.466034|3.939258|3.527042|6.300607|4.279493|8.436191|5.896994|7.494003|9.758831|13.761355|36.858105| |1.657400|1.847536|2.123508|3.285646|2.846226|5.169301|3.272484|5.859145|4.310804|5.015093|7.343630|7.956662|13.758887|36.858105| |1.622622|1.784022|2.056159|3.108432|2.661498|4.933646|2.918716|5.029704|3.650665|4.439841|6.891862|6.832861|7.892954|13.744296|36.858105| |1.770082|1.943132|2.280165|3.421490|2.953058|5.577981|3.135942|5.386926|3.763742|5.061643|8.098683|7.899241|6.854471|7.954724|13.678186|36.858105| |2.021102|2.258735|2.722199|4.182477|3.739186|7.087949|3.992214|7.198573|4.688684|7.700944|11.854221|13.738794|7.963747|6.926281|7.936351|13.766981|36.858105| |1.693077|1.824552|2.123490|3.094980|2.599542|4.949639|2.657763|4.317646|3.030036|3.898874|6.662842|5.144765|4.529987|5.128990|7.744308|13.339783|7.871004|53.358707| |1.604249|1.702760|1.968712|2.810738|2.344062|4.558392|2.341415|3.727456|2.735947|3.170963|5.356268|3.927238|3.595254|4.043634|5.533826|7.082310|5.265071|15.563974|388.023441| |1.698769|1.782134|2.072921|2.897828|2.394674|4.728130|2.315247|3.593579|2.610694|3.037483|5.273342|3.537989|3.114392|3.293688|4.136383|5.348122|4.669673|10.433644|94.778696|73.516695| |1.577674|1.683758|1.944964|2.803056|2.369016|4.639633|2.396876|3.888915|2.980639|3.209901|5.205233|4.058491|3.891248|4.500246|6.036038|6.757369|5.092006|10.439456|94.709725|13.627017|73.516695| |1.406579|1.479487|1.674466|2.374171|1.934681|3.683886|1.946905|3.024339|2.214380|2.518944|4.329023|3.019341|2.903246|3.339930|4.392698|4.836183|3.736189|9.374378|75.667390|12.959460|12.951572|36.858105| |1.368673|1.436006|1.613637|2.282131|1.835594|3.447223|1.849667|2.833173|2.031654|2.377311|4.181890|2.796538|2.679162|3.040879|3.900042|4.293480|3.425947|8.239333|48.579564|10.117029|8.756899|13.567168|36.858105| |1.246472|1.301328|1.444831|2.036167|1.621112|3.021602|1.637895|2.478877|1.786661|2.043780|3.599212|2.358741|2.306815|2.611507|3.206137|3.350002|2.771932|5.793500|33.332987|7.333761|6.813310|7.946669|13.714347|36.858105| |1.174340|1.222979|1.351692|1.901969|1.514184|2.829418|1.530730|2.313514|1.693478|1.875667|3.265896|2.155178|2.140337|2.431601|2.924563|2.962931|2.477699|4.880401|29.543538|6.491585|6.526072|6.814654|7.836881|13.740854|36.858105| |1.200969|1.251983|1.389845|1.957105|1.570206|2.960729|1.584656|2.412973|1.793176|1.942614|3.336865|2.249629|2.242210|2.562917|3.098964|3.120017|2.587835|5.095136|33.563629|7.159926|7.801316|7.948145|6.857140|8.020790|13.751297|36.858105| |1.307636|1.368937|1.536303|2.169914|1.761051|3.355818|1.772407|2.734114|2.042114|2.218776|3.776462|2.616008|2.577809|2.964313|3.708719|3.829411|3.088365|6.497246|49.323150|9.660043|11.337255|13.548060|7.801622|6.844731|7.825691|13.692666|36.858105| |1.314109|1.373935|1.543684|2.175885|1.775580|3.420174|1.778753|2.748643|2.102882|2.186514|3.666000|2.558200|2.534155|2.877518|3.476062|3.544205|2.953363|5.597631|43.077446|8.945906|12.178133|7.328146|4.927449|4.435166|5.034995|7.682214|12.530801|36.858105| |1.077435|1.117509|1.223412|1.715970|1.354033|2.513731|1.369807|2.047602|1.498897|1.642266|2.871365|1.855346|1.855627|2.083400|2.423227|2.422281|2.084020|3.828575|22.225567|5.066639|5.087441|4.424863|4.998356|7.560824|12.617193|7.554480|4.991904|3.817386|36.858105| |1.457778|1.531996|1.727289|2.441546|1.952663|3.639923|1.960163|2.980615|2.081910|2.555141|4.619769|2.966470|2.757695|3.039208|3.846052|4.484733|3.710109|8.836026|42.189156|9.783166|7.496372|7.357496|12.563695|7.692958|5.040639|4.443543|4.935142|3.686402|3.821275|36.858105| |1.453472|1.577224|1.788759|2.656752|2.222259|4.114589|2.395404|3.946532|2.912138|3.330342|5.373742|4.515452|5.108650|7.752145|13.312128|7.809508|5.140853|9.123213|39.342663|7.032492|10.795464|5.092396|4.468016|3.749460|3.476829|3.709992|4.402700|3.965384|2.830370|4.080925|53.358707| |1.370044|1.484031|1.662391|2.465586|2.025297|3.680801|2.195029|3.525146|2.537726|2.967009|4.938025|3.821963|4.316862|6.027426|7.873436|5.673561|4.194270|7.158067|30.343993|5.851260|7.618790|4.356455|4.259205|3.778791|3.440955|3.453915|3.800524|3.299460|2.887615|4.028784|17.920159|36.858105| |1.253687|1.342753|1.490406|2.177983|1.765638|3.223035|1.879661|2.946055|2.142440|2.426851|4.103140|2.977473|3.239523|4.151951|5.124924|4.235044|3.284876|5.945690|28.139987|5.512994|6.954311|4.604122|4.659465|4.486427|4.216192|4.107295|4.230522|3.510670|3.547588|4.080538|10.700735|12.529515|36.858105| |1.196659|1.278734|1.414465|2.062605|1.674742|3.073560|1.780942|2.789177|2.081076|2.240519|3.731850|2.720251|3.011077|3.847160|4.503674|3.668873|2.926661|5.020963|25.764031|5.090927|6.849289|4.172760|3.918349|3.877160|3.994970|4.175130|4.238576|3.742564|3.453599|3.312915|9.196168|7.725975|12.642410|53.358707| |1.171995|1.256199|1.383614|2.027346|1.643828|2.996023|1.765014|2.760887|2.066532|2.195240|3.639969|2.646645|2.998781|3.830161|4.217145|3.371364|2.765924|4.444714|22.343153|4.527880|6.001036|3.451507|3.275947|3.237984|3.311525|3.431631|3.484764|3.197903|2.967404|2.882860|8.057127|7.010651|9.190428|25.674914|0.500000| |1.136123|1.206995|1.328533|1.923153|1.550134|2.847019|1.634436|2.528032|1.885503|2.017862|3.392462|2.399093|2.604918|3.205287|3.695598|3.166190|2.586117|4.459200|23.622150|4.788081|6.167209|4.002687|3.835738|4.016844|4.352187|4.485625|4.252251|3.713827|3.894131|3.177666|6.958077|5.696218|9.174369|25.696183|0.327978|0.500000| |1.255719|1.342594|1.496689|2.182025|1.791830|3.333400|1.895880|3.008066|2.294320|2.402176|3.931029|2.963530|3.278975|4.250207|5.117058|4.114406|3.217814|5.567686|30.510745|5.800305|8.900453|4.730553|4.013584|3.770147|3.957701|4.539336|5.025822|4.759177|3.288092|3.307332|10.706559|6.591139|7.591483|17.184242|0.254977|0.254724|36.858105| |1.372706|1.483905|1.670906|2.471293|2.063571|3.841241|2.219800|3.628113|2.789622|2.923743|4.656407|3.793229|4.405628|6.321025|7.841340|5.403999|4.062773|6.549759|33.272737|6.187723|10.276856|4.462360|3.767851|3.336740|3.302939|3.690909|4.323613|4.217728|2.748604|3.302725|17.915097|7.894959|6.582552|10.499088|0.194296|0.158127|12.541503|36.858105| |17.566949|8.794658|5.481694|5.622127|3.269525|5.466783|2.723270|3.140815|2.136537|2.200785|4.173353|1.892751|1.708214|1.533677|1.497987|1.619063|1.828783|2.111187|10.469263|2.755943|2.578004|1.304419|1.273507|1.167284|1.102717|1.125165|1.218034|1.223127|1.017043|1.353036|1.839426|1.281620|1.177672|1.533067|0.030721|0.029773|1.177043|1.280928|0.500000| |17.546516|8.777545|6.815262|6.263453|3.740469|6.581861|2.947133|3.430683|2.370663|2.389950|4.476829|2.053394|1.831784|1.640828|1.610760|1.757033|1.997638|2.293290|11.492343|3.056213|2.841415|1.412847|1.365891|1.243696|1.176710|1.209448|1.319799|1.335945|1.078757|1.444691|1.968491|1.354598|1.243186|1.623637|0.032410|0.031494|1.258866|1.374281|0.301854|0.500000| |17.545011|8.771333|6.811098|6.267121|3.642509|6.224697|2.912773|3.395350|2.269355|2.442854|4.738397|2.089365|1.845970|1.655386|1.636091|1.800021|2.053638|2.366767|11.692892|3.121824|2.843779|1.443550|1.412288|1.284356|1.204575|1.227275|1.335575|1.334731|1.104447|1.515482|1.998015|1.387033|1.271822|1.643957|0.032753|0.031894|1.264286|1.377784|0.301858|0.301549|0.500000| |8.835082|17.536579|8.895884|9.675968|4.961706|7.680518|3.952549|4.216252|2.836399|2.803127|5.229439|2.310793|2.076031|1.813938|1.734647|1.866340|2.155906|2.368348|11.603946|3.009955|2.900249|1.421867|1.374142|1.249680|1.180810|1.212623|1.324185|1.336290|1.081303|1.453802|2.091658|1.444452|1.307260|1.705217|0.034316|0.032839|1.317620|1.457963|0.212303|0.210381|0.172692|0.500000| |8.865187|17.497219|8.862135|9.653065|4.728982|7.118582|3.862612|4.144290|2.664459|2.884355|5.647847|2.359018|2.094104|1.831640|1.764524|1.915904|2.223801|2.446957|11.800506|3.070092|2.900517|1.452051|1.420252|1.289979|1.208164|1.229813|1.339225|1.334293|1.106490|1.524592|2.125185|1.482544|1.339525|1.727477|0.034698|0.033270|1.322868|1.460960|0.213172|0.173005|0.210951|0.303165|0.500000| |6.903072|8.828598|17.529412|12.378031|6.582101|10.921939|4.492121|5.011416|3.165572|3.637441|7.326537|2.914704|2.458018|2.134176|2.098705|2.364910|2.832295|3.039803|14.645466|3.905928|3.558101|1.748380|1.695752|1.511936|1.404756|1.438074|1.590991|1.586487|1.268453|1.835945|2.486847|1.702019|1.528426|1.959548|0.038932|0.037607|1.519104|1.689836|0.140806|0.170180|0.204906|0.173736|0.210529|0.500000| |6.820786|8.831795|17.632995|12.608288|7.332720|13.403248|4.677369|5.171492|3.483576|3.493745|6.502396|2.833507|2.436688|2.111393|2.052187|2.275911|2.699808|2.893308|14.266226|3.778485|3.556717|1.695575|1.618145|1.447614|1.361737|1.410152|1.565113|1.588785|1.230477|1.715255|2.436531|1.647317|1.482459|1.929061|0.038441|0.037016|1.512387|1.687175|0.139880|0.201994|0.167488|0.213028|0.173539|0.303329|0.500000| |4.656710|7.268684|9.047349|26.052326|9.450802|10.903975|7.544026|6.685282|3.904127|4.406983|8.730109|3.269555|2.827992|2.359320|2.214920|2.410899|2.920675|2.963267|13.915542|3.553840|3.456233|1.673709|1.622436|1.454865|1.356728|1.387899|1.528974|1.522869|1.229158|1.742858|2.586250|1.785740|1.575432|2.023051|0.040744|0.038495|1.558155|1.761641|0.111844|0.114511|0.120232|0.187803|0.215652|0.202239|0.180903|0.500000| |2.960719|3.811038|4.551539|9.203118|8.929580|11.526737|17.567556|12.570736|7.499756|5.851926|9.224656|4.211854|3.828950|3.003693|2.651213|2.771635|3.382330|3.227041|15.154472|3.729228|3.929808|1.797760|1.703859|1.523821|1.436965|1.491569|1.658297|1.677597|1.294275|1.784696|3.019323|2.040390|1.763100|2.301435|0.046849|0.043232|1.800724|2.096757|0.074426|0.079917|0.076589|0.111492|0.102781|0.109478|0.121339|0.184612|0.500000| |3.015155|3.907859|4.748987|9.995702|8.817021|10.623394|17.637466|12.501280|5.716165|7.429978|13.794713|4.752745|4.077167|3.155146|2.821226|3.020896|3.806352|3.512590|15.905642|3.923829|4.005672|1.888166|1.819591|1.617600|1.503185|1.541268|1.710561|1.695909|1.350526|1.950306|3.173065|2.180719|1.865026|2.380507|0.048261|0.044631|1.834967|2.134680|0.075425|0.078665|0.080677|0.106870|0.111790|0.122155|0.116820|0.230386|0.302413|0.500000| |2.214263|2.614183|3.056937|5.174468|4.933460|8.543357|6.699763|12.379581|17.561397|5.874137|7.878617|5.171757|5.331636|4.028161|3.323070|3.287292|3.891694|3.651671|17.351713|4.105497|4.740374|2.030678|1.874856|1.670339|1.593930|1.683591|1.894749|1.952198|1.423435|1.909588|3.705504|2.415373|2.049987|2.736306|0.056128|0.050661|2.198178|2.656839|0.056419|0.061523|0.058616|0.075074|0.069894|0.078430|0.086440|0.100407|0.207505|0.146605|0.500000| |2.152938|2.481964|2.987003|4.856856|4.748282|9.143596|5.659439|12.350172|17.685928|7.260548|8.928964|7.507991|7.224783|5.251882|4.377726|4.449060|5.472618|4.703110|22.249182|5.180753|6.257237|2.477035|2.232972|1.946153|1.848366|1.976806|2.281724|2.367306|1.620111|2.260082|4.618577|2.856355|2.381338|3.167084|0.063909|0.058019|2.618067|3.273409|0.054257|0.060259|0.058124|0.069217|0.065966|0.079464|0.085653|0.091716|0.147326|0.127374|0.301189|0.500000| |2.558297|3.023546|3.739530|6.256643|6.600108|13.326792|7.276568|12.428184|17.630687|6.101314|8.396758|5.079974|4.549207|3.585639|3.193149|3.367865|4.126219|3.840023|18.669439|4.566850|5.070947|2.123986|1.943059|1.713124|1.630618|1.732659|1.973030|2.053333|1.446916|1.986386|3.567517|2.287800|1.971985|2.621839|0.052839|0.048958|2.131195|2.535778|0.063653|0.072460|0.067564|0.086046|0.078093|0.094928|0.110906|0.112371|0.203571|0.144652|0.299277|0.303162|0.500000| |1.855429|2.129363|2.457122|3.992262|3.558843|6.171237|4.558958|8.964606|6.419566|6.872960|9.007423|8.904614|17.736873|8.930176|5.633454|4.944010|5.651996|4.911797|21.341930|4.734543|5.780401|2.505362|2.334678|2.052869|1.925207|2.010758|2.272500|2.255483|1.695500|2.394741|5.650538|3.688451|2.867642|3.700981|0.076696|0.066067|2.919777|3.794808|0.047644|0.050695|0.050738|0.058847|0.058841|0.066915|0.067186|0.080627|0.117382|0.120995|0.176870|0.203282|0.131387|0.500000| |1.539800|1.710098|1.935745|2.981390|2.540395|4.571158|2.929727|5.061514|3.822995|4.085293|6.139414|5.663395|8.957763|17.714998|8.926718|5.651259|4.979571|5.651373|24.745656|5.091227|6.957568|3.038222|2.787840|2.464414|2.335889|2.460452|2.783321|2.720991|2.032047|2.735816|9.672290|6.040273|4.230644|5.562703|0.118221|0.093365|4.433194|6.638860|0.039866|0.042366|0.042560|0.046972|0.047189|0.053677|0.053493|0.059896|0.076702|0.078953|0.104076|0.125749|0.089355|0.216658|0.500000| |2.186055|2.431649|2.986489|4.504852|4.003918|7.756730|4.020723|6.822665|4.323420|7.238213|12.733628|8.963112|5.669455|4.981131|5.643437|8.924514|17.735162|9.860194|36.532628|8.955954|8.288711|3.620772|3.373929|2.717946|2.409605|2.499837|2.973018|2.838251|2.032703|3.773476|5.672464|3.542660|2.915035|3.543707|0.068041|0.065196|2.836177|3.409585|0.054405|0.059976|0.062392|0.063484|0.066276|0.088424|0.082149|0.086216|0.092942|0.106733|0.098849|0.133025|0.111021|0.124443|0.108002|0.500000| |1.782976|1.915873|2.242340|3.240194|2.698040|5.133701|2.707078|4.307615|2.940906|3.955986|7.077931|4.919820|4.112231|4.351045|5.855345|9.438008|7.598432|25.914389|61.835078|13.927483|10.430433|5.841578|5.637588|4.021154|3.323900|3.377917|4.153424|3.600500|2.658588|6.934392|6.871329|4.336652|3.715964|4.281954|0.078603|0.079321|3.383607|3.850113|0.045191|0.049103|0.051313|0.050252|0.052569|0.066500|0.061972|0.063264|0.066306|0.073660|0.071895|0.090823|0.076933|0.093070|0.099398|0.227775|0.500000| |1.215302|1.266273|1.398073|1.966442|1.552871|2.872653|1.569423|2.353328|1.680744|1.940391|3.455864|2.208682|2.156492|2.411002|2.896539|3.025982|2.565961|5.098524|27.579336|6.309829|5.722379|5.654371|8.967453|17.710503|8.948784|5.686264|4.938137|3.549327|7.034534|7.270769|4.507950|3.469733|4.083719|4.709740|0.082443|0.099904|3.247696|2.930157|0.031702|0.033561|0.034876|0.033717|0.035024|0.040742|0.038711|0.039224|0.040565|0.043376|0.043816|0.050368|0.044754|0.053753|0.063490|0.070415|0.101531|0.500000| |1.142762|1.188116|1.312349|1.843865|1.475161|2.780739|1.488088|2.254591|1.690059|1.792073|3.067474|2.054168|2.063686|2.342632|2.757246|2.735803|2.317519|4.300613|27.809081|6.115376|6.830471|5.654686|4.945026|5.687460|8.957413|17.711008|8.964620|7.272241|7.028781|3.554969|4.439162|3.045343|3.598589|5.245376|0.090102|0.117865|4.225590|3.383724|0.029821|0.032047|0.032350|0.032081|0.032366|0.037554|0.037094|0.036319|0.039178|0.040116|0.044361|0.051599|0.045559|0.052017|0.063300|0.062165|0.079886|0.124877|0.500000| |1.384626|1.442581|1.630224|2.282024|1.866461|3.638320|1.844635|2.842323|2.179123|2.258450|3.793733|2.613502|2.530458|2.801069|3.353380|3.561269|3.046992|5.666680|46.040761|10.531186|12.822525|6.657271|4.580062|3.977676|4.266119|5.833620|8.792119|17.619051|3.328040|3.612140|4.930282|3.001423|3.078401|4.335716|0.077436|0.086603|3.937556|3.740822|0.035657|0.039272|0.039125|0.038881|0.038717|0.046663|0.046902|0.044056|0.048181|0.048557|0.055632|0.068064|0.059808|0.062491|0.072427|0.083044|0.103631|0.090728|0.152045|0.500000| |1.326830|1.396622|1.571797|2.235756|1.839337|3.541607|1.862650|2.913395|2.261676|2.303337|3.799985|2.737366|2.769799|3.207278|3.864701|3.783973|3.114856|5.676009|41.633265|8.176723|13.855915|6.259847|4.359707|3.899129|4.308721|6.047408|8.735976|17.624467|3.386454|3.396991|6.104604|3.576069|3.731458|5.649033|0.098854|0.111382|5.762539|5.126989|0.034304|0.037469|0.037247|0.037905|0.037652|0.044574|0.044980|0.043468|0.048979|0.049090|0.058516|0.071718|0.060918|0.068350|0.084996|0.081139|0.098722|0.088840|0.162480|0.305005|0.500000| |1.231704|1.281233|1.427495|2.002529|1.620248|3.105985|1.621069|2.476190|1.896973|1.947969|3.282373|2.238978|2.232857|2.509426|2.940267|2.957570|2.529897|4.561444|32.260774|7.152501|8.808624|5.538032|4.189922|4.058575|4.897805|7.570320|8.933992|17.606034|3.937342|3.207299|4.549926|2.896097|3.150522|4.671059|0.082638|0.097750|4.205612|3.612465|0.031980|0.034824|0.034720|0.034696|0.034575|0.040660|0.040828|0.039028|0.042764|0.043042|0.049386|0.058666|0.051692|0.056080|0.067018|0.067930|0.083661|0.092282|0.239880|0.302625|0.301109|0.500000| |1.061776|1.095392|1.196489|1.667351|1.309572|2.435079|1.315185|1.952064|1.427227|1.561078|2.743793|1.743575|1.727352|1.911421|2.203362|2.237315|1.957269|3.540100|20.700422|4.891118|4.703131|3.982930|4.482752|6.369430|8.890345|6.252640|4.436012|3.531661|17.549400|3.578290|3.413165|2.528620|2.988402|3.951967|0.070727|0.088791|2.824106|2.431345|0.027860|0.029566|0.030299|0.029398|0.030100|0.034535|0.033466|0.033137|0.034532|0.036013|0.037601|0.042633|0.038502|0.043999|0.051542|0.053661|0.069492|0.173320|0.168156|0.088302|0.085756|0.102644|0.500000| |1.038984|1.078136|1.177564|1.653969|1.306254|2.424959|1.325289|1.982150|1.462809|1.576508|2.737595|1.780329|1.798874|2.026171|2.329347|2.289207|1.976051|3.535968|20.626301|4.666814|4.894377|3.957608|4.169637|5.620294|8.830473|7.108511|4.693963|3.810491|17.579004|3.250944|3.727839|2.778496|3.437076|4.801328|0.084713|0.113826|3.372969|2.746476|0.027287|0.028947|0.029482|0.029086|0.029612|0.033755|0.032974|0.032905|0.034963|0.036200|0.038778|0.043974|0.039242|0.045930|0.055500|0.053176|0.067560|0.142584|0.214487|0.090563|0.095465|0.113279|0.302427|0.500000| |1.059636|1.100771|1.201555|1.689309|1.328615|2.450564|1.350177|2.013244|1.463647|1.618788|2.844045|1.824742|1.831378|2.055937|2.376514|2.361231|2.038596|3.697320|20.594486|4.689189|4.695833|3.959205|4.676179|7.040733|8.832526|5.654812|4.180833|3.261565|17.574192|3.785655|3.776479|2.928751|3.652633|4.688679|0.083094|0.108208|3.137075|2.652495|0.027835|0.029367|0.030193|0.029571|0.030395|0.034626|0.033416|0.033762|0.035422|0.037188|0.038729|0.043763|0.039089|0.046617|0.055932|0.055121|0.071800|0.210003|0.143834|0.080306|0.082793|0.091394|0.302458|0.300907|0.500000| |1.560405|1.634673|1.858919|2.607056|2.087554|3.930196|2.062075|3.123806|2.171419|2.694280|4.921065|3.084379|2.778450|2.978271|3.725396|4.586850|3.950429|9.307335|45.679762|12.124833|7.729131|6.729139|8.810489|5.807178|4.255848|3.981850|4.599396|3.624945|3.317238|17.595183|5.102183|3.548087|3.461169|3.978833|0.071798|0.077520|3.010885|3.084167|0.040004|0.043033|0.045289|0.042837|0.045019|0.055364|0.051404|0.051332|0.051788|0.056743|0.054720|0.065293|0.058066|0.066861|0.073405|0.116789|0.228358|0.150724|0.090811|0.103007|0.092269|0.087045|0.088752|0.080055|0.089532|0.500000| |1.389146|1.450849|1.619406|2.274106|1.795778|3.322901|1.798206|2.692683|1.876649|2.280750|4.164967|2.582482|2.420691|2.634567|3.206375|3.613954|3.119069|6.492916|31.864986|7.747651|6.088601|5.556991|8.930969|7.528321|4.884611|4.059953|4.195464|3.211292|3.926614|17.612024|4.637217|3.486802|3.637461|4.067451|0.073188|0.081360|2.906985|2.848348|0.035983|0.038157|0.040229|0.038213|0.040258|0.047882|0.044521|0.045320|0.045717|0.050021|0.048207|0.055936|0.049946|0.059460|0.067057|0.088667|0.142239|0.236791|0.092334|0.087173|0.081866|0.080270|0.104435|0.090728|0.111306|0.303953|0.500000| |1.488924|1.579646|1.784341|2.554146|2.051498|3.786431|2.090523|3.208149|2.212681|2.797499|5.071594|3.310482|3.089436|3.443347|4.436418|5.177069|4.174682|10.020387|39.936863|8.720895|7.411611|6.233839|8.777416|6.139266|4.349902|3.917482|4.356218|3.381501|3.421370|17.600872|6.337369|4.784119|4.607247|4.823096|0.086282|0.092018|3.457858|3.563584|0.038387|0.040782|0.042902|0.041665|0.043889|0.052587|0.048881|0.050949|0.052596|0.058217|0.056421|0.066811|0.057869|0.073694|0.085232|0.115088|0.216259|0.165819|0.089182|0.091172|0.089873|0.081670|0.087424|0.082955|0.096376|0.301053|0.302156|0.500000| |1.341346|1.459614|1.624912|2.428249|1.990426|3.577701|2.192737|3.517575|2.540203|2.910238|4.804094|3.693787|4.392830|6.165108|6.720330|4.778040|3.809242|5.733531|24.938074|5.010289|6.437562|3.502434|3.424837|3.134254|2.923965|2.941209|3.172662|2.861667|2.543877|3.299960|12.203937|17.417915|8.844361|9.352571|0.202914|0.143297|5.724962|7.000309|0.034980|0.036766|0.037551|0.039672|0.040624|0.045885|0.044603|0.049172|0.057144|0.060806|0.068414|0.078859|0.062984|0.108139|0.191940|0.089242|0.100375|0.081631|0.074078|0.072985|0.086756|0.071219|0.062508|0.068985|0.072085|0.082659|0.081730|0.106605|0.500000| |1.418891|1.538735|1.727072|2.562402|2.095305|3.784373|2.266029|3.615921|2.531046|3.120503|5.321367|3.995878|4.320039|5.647468|7.398264|6.033810|4.504635|7.827278|30.421909|6.013015|7.156141|4.309372|4.468031|3.875582|3.364980|3.270858|3.588086|3.058964|2.826282|4.558590|12.502283|17.625202|8.990361|7.644773|0.142986|0.127259|4.941013|5.704360|0.036820|0.038778|0.040102|0.041347|0.042918|0.049495|0.047193|0.051767|0.057846|0.063288|0.066361|0.078065|0.063402|0.101575|0.147200|0.106837|0.136075|0.101501|0.079197|0.078986|0.089430|0.074679|0.069541|0.073957|0.080633|0.109952|0.109080|0.161319|0.302172|0.500000| |1.197634|1.280844|1.410809|2.058980|1.653433|2.992462|1.763377|2.727561|1.968122|2.233265|3.819656|2.673887|2.902740|3.591205|4.174139|3.561568|2.892423|4.968392|23.406465|4.792716|5.708800|3.802543|4.027547|4.070770|3.825430|3.579326|3.540000|2.980383|3.405259|3.679810|7.677473|8.757307|17.622854|12.343257|0.225280|0.221064|5.573520|4.942661|0.031376|0.032890|0.033768|0.034651|0.035652|0.040187|0.038811|0.041625|0.046115|0.049015|0.052747|0.059905|0.050406|0.072942|0.103189|0.072365|0.089820|0.108373|0.088984|0.073658|0.086487|0.076206|0.079968|0.091751|0.101035|0.086706|0.094985|0.115406|0.214852|0.210093|0.500000| |1.264670|1.347051|1.498889|2.172117|1.757142|3.231043|1.844278|2.874464|2.083978|2.382143|4.069118|2.901038|3.043453|3.781241|4.839919|4.316338|3.308303|6.584482|32.242370|6.217783|7.562809|5.860878|6.204721|6.011497|5.430556|5.103653|5.200865|3.987012|4.275990|5.037855|9.623103|8.827671|17.651786|12.414440|0.180978|0.224957|6.930445|5.796711|0.032937|0.034892|0.035786|0.036277|0.037254|0.042951|0.041499|0.043460|0.047827|0.050721|0.054830|0.064246|0.053833|0.074234|0.102793|0.083280|0.114032|0.145529|0.117740|0.095853|0.113728|0.098152|0.097737|0.111418|0.121462|0.113555|0.122478|0.154713|0.173189|0.216136|0.298870|0.500000| |1.200494|1.280509|1.419601|2.064505|1.689548|3.142999|1.785719|2.810594|2.173642|2.201156|3.593793|2.656789|2.950202|3.698098|4.166615|3.442180|2.816291|4.605012|25.724454|5.113415|7.613668|3.921303|3.363220|3.246725|3.513373|4.077995|4.358520|4.433716|3.042878|2.814611|7.680748|4.949515|5.575545|12.339152|0.225137|0.221102|17.624297|8.763667|0.031348|0.033521|0.033461|0.035068|0.034976|0.039818|0.039986|0.040938|0.047591|0.047845|0.058480|0.068545|0.056465|0.074815|0.109686|0.069779|0.079990|0.078923|0.111516|0.102266|0.151620|0.114261|0.073443|0.089153|0.080159|0.072335|0.070123|0.080550|0.129112|0.108789|0.126349|0.142447|0.500000| |1.266451|1.346530|1.504917|2.175535|1.782730|3.342640|1.859246|2.931815|2.224287|2.357628|3.897587|2.886787|3.075557|3.854948|4.831089|4.184697|3.237275|6.071527|35.988335|6.640769|10.347511|6.128473|4.865765|4.534975|4.903995|6.031346|6.987335|6.268858|3.838820|3.746635|9.625810|5.803589|6.941556|12.436968|0.181154|0.225445|17.686513|8.837928|0.032911|0.035338|0.035556|0.036559|0.036774|0.042666|0.042349|0.042972|0.048799|0.049912|0.058513|0.070286|0.058057|0.075399|0.106536|0.080830|0.101733|0.103705|0.150352|0.134815|0.210553|0.147851|0.090443|0.108634|0.098665|0.094114|0.090210|0.105520|0.132937|0.130238|0.142610|0.208097|0.298934|0.500000| 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