Version2.1 2020-12-15T13:05:51Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 16-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]2CCCC2)NC3=NS(=O)(=O)c4c3cccc4 C22464266 RHF 6-31G(d) (6D,7F) CCCC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]2CCCC2)NC3=NS(=O)(=O)c4c3cccc4 C01[X(C25H33N4O3S1)] 192 C1 565 CCCC[C@H](C(=O)NC[C@H]([NH+]1CCCC1)c1ccccc1)NC1=NS(=O)(=O)c2c1cccc2 CCCC[C@H](C(=O)NC[C@H]([NH+]1CCCC1)c1ccccc1)NC1=NS(=O)(=O)c2c1cccc2 CCCC[C@@H](NC1=N[S](=O)(=O)c2ccccc12)C(=O)NC[C@H]([NH+]3CCCC3)c4ccccc4 InChIKey=BCGDUURMEDEKHZ-YADHBBJMSA-O InChI=1S/C25H32N4O3S/c1-2-3-14-21(27-24-20-13-7-8-15-23(20)33(31,32)28-24)25(30)26-18-22(29-16-9-10-17-29)19-11-5-4-6-12-19/h4-8,11-13,15,21-22H,2-3,9-10,14,16-18H2,1H3,(H,26,30)(H,27,28)/p+1/t21-,22+/m1/s1 InChI=1/C25H32N4O3S/c1-2-3-14-21(27-24-20-13-7-8-15-23(20)33(31,32)28-24)25(30)26-18-22(29-16-9-10-17-29)19-11-5-4-6-12-19/h4-8,11-13,15,21-22H,2-3,9-10,14,16-18H2,1H3,(H,26,30)(H,27,28)/p+1/t21-,22+/m1/s1/fC25H33N4O3S/h26-27,29H/q+1 CCCC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]2CCCC2)NC3=NS(=O)(=O)c4c3cccc4 C01[X(C25H33N4O3S1)] 192 C01 565 CCCC[C@H](C(=O)NC[C@H]([NH+]1CCCC1)c1ccccc1)NC1=NS(=O)(=O)c2c1cccc2 CCCC[C@H](C(=O)NC[C@@H]([C]1[CH][CH][CH][CH][CH]1)[NH]1CCCC1)[NH][C]1[N]S(=O)(=O)[C]2[C]1[CH][CH][CH][CH]2 CCCC[C@@H](N[C]1[N][S](=O)(=O)[C]2[CH][CH][CH][CH][C]12)C(=O)NC[C@@H]([C]3[CH][CH][CH][CH][CH]3)[NH]4CCCC4 InChIKey=OEMMPCJHDVPLJX-YADHBBJMSA-N InChI=1S/C25H33N4O3S/c1-2-3-14-21(27-24-20-13-7-8-15-23(20)33(31,32)28-24)25(30)26-18-22(29-16-9-10-17-29)19-11-5-4-6-12-19/h4-8,11-13,15,21-22,29H,2-3,9-10,14,16-18H2,1H3,(H,26,30)(H,27,28)/t21-,22+/m1/s1 InChI=1/C25H33N4O3S/c1-2-3-14-21(27-24-20-13-7-8-15-23(20)33(31,32)28-24)25(30)26-18-22(29-16-9-10-17-29)19-11-5-4-6-12-19/h4-8,11-13,15,21-22,29H,2-3,9-10,14,16-18H2,1H3,(H,26,30)(H,27,28)/t21-,22+/m1/s1/f/h26-27H 3742.1591894658 -1805.5879108 1-A 17868.5560 125 440 565 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.28506 -20.63347 -20.63108 -20.63016 -15.82849 -15.70868 -15.68317 -15.65705 -11.46073 -11.44576 -11.43073 -11.42495 -11.42087 -11.38545 -11.38072 -11.36913 -11.36847 -11.36657 -11.36513 -11.35897 -11.35691 -11.35136 -11.34585 -11.34577 -11.34450 -11.34127 -11.33606 -11.33415 -11.33250 -11.31928 -11.30223 -11.29021 -11.27423 -9.25777 -6.94374 -6.94363 -6.94299 -1.55604 -1.50070 -1.47679 -1.42509 -1.42308 -1.34439 -1.32587 -1.27257 -1.27129 -1.23039 -1.17997 -1.16336 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1289.71 1308.28 1361.02 1390.74 1398.62 1406.70 1427.31 1433.63 1476.77 1482.47 1505.48 1519.75 1527.01 1561.91 1566.20 1566.63 1571.37 1594.49 1607.78 1612.25 1619.13 1625.73 1634.66 1642.15 1643.03 1658.62 1659.61 1663.37 1683.04 1692.41 1715.90 1734.39 1742.64 1766.46 1772.28 1784.24 1790.04 1827.87 1837.87 1859.37 1887.28 1891.27 1911.29 1919.22 1933.82 1942.08 1964.26 1970.35 1971.54 2007.66 2019.15 2025.99 2038.66 2058.05 2067.55 2093.95 2096.54 2112.61 2116.38 2126.61 2137.89 2147.60 2176.19 2187.07 2190.70 2216.78 2224.90 2241.39 2253.75 2259.21 2269.29 2290.57 2328.98 2338.26 2343.78 2351.87 2352.66 2354.94 2365.07 2366.42 2372.82 2373.58 2383.69 2398.74 2408.34 2409.51 2469.99 2487.97 2499.24 2567.89 2580.05 2596.25 2605.71 2857.66 4592.56 4599.10 4608.35 4609.79 4621.47 4630.04 4649.03 4667.90 4686.74 4699.72 4699.83 4712.44 4718.45 4718.67 4731.17 4736.20 4754.11 4773.53 4804.47 4832.39 4832.84 4845.30 4850.73 4861.37 4865.73 4876.73 4885.25 4894.83 4901.32 4907.24 5305.76 5526.23 5583.91 0.604993 0.634772 0.635716 0.539589 -1804.982918 -1804.953139 -1804.952194 -1805.048322 3.224149D-04 MUNgauss RevisionA2.0 retrievium 15-Dec-2020 DUDE CCCC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]2CCCC2)NC3=NS(=O)(=O)c4c3cccc4 C22464266 RHF 6-31G(d) (6D,10F) C1 469.227338 |X|Y|Z| 48.579938 71.799208 101.751537 70.800968 26 6 7 16 21 4 1 |36.858105| |12.468582|36.858105| |7.480432|12.447054|36.858105| |4.871611|7.489530|12.441500|36.858105| |3.726327|4.856200|7.423636|12.451783|36.858105| |3.663950|4.552088|6.895641|8.855019|17.607943|0.500000| |2.973977|3.764038|4.872659|7.555092|12.403409|0.244706|36.858105| |2.793376|3.529538|4.293975|6.429330|7.993707|0.163002|15.927121|73.516695| |2.614091|3.175849|3.951811|5.364554|7.737265|0.210413|13.925316|15.005260|53.358707| |2.198664|2.599832|3.079627|3.939709|5.078900|0.135557|7.963848|12.453606|17.952327|36.858105| |1.982696|2.290097|2.642562|3.204135|3.883769|0.110467|5.139103|8.117306|10.578927|12.410223|36.858105| |1.992526|2.311723|2.616057|3.174715|3.669080|0.103998|4.771104|7.683027|9.258870|8.850219|17.617276|0.500000| |1.974731|2.237984|2.609293|3.041794|3.734125|0.113186|4.458340|6.717778|8.873068|7.416585|12.565293|0.247559|36.858105| |1.958007|2.195375|2.515066|2.854770|3.344445|0.103673|3.767292|5.717104|6.976065|5.185070|7.582586|0.205577|13.713802|36.858105| |1.894583|2.077731|2.373308|2.593920|3.006142|0.095098|3.191213|4.870034|5.519282|3.942043|5.023070|0.133689|7.911281|13.742994|36.858105| |1.851077|2.008318|2.320486|2.500660|2.959040|0.094051|3.074034|4.696987|5.179480|3.712139|4.433194|0.111105|6.849679|7.937865|13.755906|36.858105| |1.866073|2.041583|2.395211|2.624499|3.220654|0.101081|3.417012|5.205839|5.830071|4.319144|5.006647|0.116409|7.907600|6.873299|7.935823|13.734110|36.858105| |1.925982|2.152079|2.540107|2.894245|3.645520|0.111495|4.152542|6.279655|7.630268|6.143376|7.519849|0.155119|13.670685|7.932177|6.870798|7.934488|13.757225|36.858105| |1.729293|1.965498|2.221638|2.626306|3.087232|0.085995|3.919816|6.674123|6.901443|7.709602|12.525999|0.253717|7.685520|5.464865|4.092463|3.793556|4.341009|6.102152|53.358707| |1.699508|1.919163|2.187029|2.562230|3.066495|0.085487|3.830735|6.512797|6.585278|7.187000|9.296951|0.182387|7.207672|4.951190|3.938078|3.871496|4.699490|6.805101|25.689894|0.500000| |1.668951|1.905275|2.116192|2.518877|2.868352|0.077275|3.684699|6.723387|5.967709|6.445825|7.426022|0.191463|4.925449|3.960308|3.139592|2.926171|3.253662|4.196182|17.184598|0.257667|36.858105| |1.471611|1.652245|1.808117|2.092979|2.333862|0.063534|2.842074|5.167625|4.442657|4.288946|5.000014|0.134101|3.915820|3.355879|2.789483|2.627231|2.867978|3.495164|10.672793|0.189801|12.365777|36.858105| |1.427240|1.586677|1.743244|1.987021|2.232126|0.062186|2.648315|4.648897|4.238302|3.961404|5.032938|0.132222|4.336999|3.777186|3.173658|2.991856|3.244017|3.897980|10.953813|0.202442|7.761783|12.358589|36.858105| |1.569425|1.756162|1.951765|2.243473|2.559456|0.072519|3.070864|5.214101|5.190051|4.936522|7.456140|0.192495|6.392846|5.399320|4.196137|3.791558|4.086262|5.171347|17.256053|0.259873|7.997170|7.866573|12.518359|36.858105| |3.498193|4.273479|6.242921|7.745344|13.042110|0.256525|7.854347|11.625885|7.604902|4.294372|3.329410|0.085254|3.245282|2.866374|2.649442|2.707532|3.022024|3.355047|3.810552|0.079640|2.627425|2.182036|2.087327|2.335847|53.358707| |2.874632|3.321429|4.452161|5.121809|7.827967|0.196546|6.450241|9.772780|7.249876|4.398231|3.433510|0.084862|3.431435|2.941774|2.750410|2.909192|3.383226|3.758413|4.011131|0.086487|2.711049|2.263589|2.189581|2.443210|19.497929|36.858105| |2.589189|2.961107|3.862554|4.473431|6.899670|0.198961|6.493153|9.214085|8.568475|5.222395|4.105424|0.097520|4.289107|3.529896|3.291963|3.572826|4.373177|4.980324|4.681338|0.102911|3.020470|2.495504|2.461309|2.810718|11.375009|14.777287|53.358707| |2.152595|2.380534|2.933220|3.244106|4.342665|0.123846|4.359168|6.869982|6.066863|4.279499|3.627606|0.085203|3.868064|3.171324|3.045736|3.460673|4.439484|4.856800|4.479696|0.103094|2.881648|2.464394|2.471526|2.748968|6.994871|7.835293|15.807340|388.023441| |1.941771|2.162895|2.593128|2.944077|3.827323|0.105976|4.234630|6.970198|6.148022|4.867065|4.113885|0.093379|4.211479|3.292403|3.063048|3.429435|4.514400|5.364536|5.370806|0.130658|3.432577|2.912779|2.905113|3.188045|5.777124|5.715287|10.367678|94.204185|73.516695| |2.052033|2.215328|2.694899|2.860828|3.666508|0.110065|3.541485|5.538171|5.085497|3.548656|3.242016|0.077500|3.673484|3.139061|3.178222|3.807198|4.916074|4.774168|4.023149|0.091652|2.546528|2.239354|2.311000|2.582544|5.621172|5.587070|10.222618|94.888623|13.823146|73.516695| |2.195050|2.400494|2.930168|3.152592|4.003431|0.107849|3.826487|6.409792|4.864405|3.396621|2.853539|0.069792|2.906027|2.490574|2.397405|2.636233|3.148229|3.367961|3.605700|0.080855|2.449829|2.133314|2.090922|2.254499|7.203017|8.138000|10.295608|76.388971|12.773820|12.778351|36.858105| |2.560729|2.847113|3.583008|3.867789|4.984079|0.127719|4.453493|7.478534|5.249260|3.481605|2.837979|0.070667|2.831313|2.459241|2.340467|2.507020|2.907296|3.144027|3.492551|0.076323|2.410000|2.070377|2.000728|2.171432|10.469485|12.778690|10.970608|52.876422|9.716369|9.605882|13.783965|36.858105| |2.586403|2.824512|3.435278|3.565134|4.174419|0.105163|3.699028|6.506437|4.301728|2.887466|2.402415|0.061173|2.368768|2.105967|2.013373|2.129100|2.403316|2.564996|3.004207|0.064824|2.122356|1.852832|1.777606|1.900419|8.340488|7.301448|7.025832|34.762478|7.143013|7.098069|7.945214|13.791128|36.858105| |2.220660|2.366433|2.764375|2.830879|3.214290|0.083265|2.967251|5.282527|3.590121|2.492253|2.131027|0.054363|2.111011|1.888053|1.822163|1.940199|2.185912|2.302066|2.732138|0.059339|1.941451|1.729169|1.665550|1.754117|5.789601|4.989329|5.497894|30.216463|6.478124|6.476822|6.971720|8.023193|13.719110|36.858105| |1.969051|2.090692|2.429420|2.511871|2.901042|0.076993|2.759919|4.864678|3.462704|2.463012|2.139891|0.054014|2.143954|1.904178|1.850658|2.000612|2.285950|2.388900|2.788284|0.061467|1.963905|1.766901|1.718186|1.798913|5.001201|4.511860|5.412252|33.214948|7.196779|7.241345|8.073827|6.921397|7.882380|13.722424|36.858105| |1.955965|2.097742|2.476820|2.607512|3.129905|0.084511|3.028915|5.223415|3.897741|2.798251|2.428827|0.060186|2.467360|2.152716|2.094674|2.303694|2.704841|2.833102|3.163348|0.070943|2.183600|1.951545|1.916477|2.022888|5.347937|5.205031|6.684026|47.478455|9.799959|9.923182|13.860254|7.883681|6.758432|7.878854|13.702866|36.858105| |17.540358|8.771741|6.772229|4.498178|3.602219|0.097476|2.859986|4.814354|3.399942|2.121237|1.901710|0.052525|1.898067|1.862990|1.810583|1.792323|1.824425|1.877524|2.277941|0.046065|1.616369|1.429795|1.386596|1.515909|4.869492|2.960954|3.558116|15.605305|3.485764|3.718814|2.291690|2.702165|2.795717|2.399689|2.097573|2.055071|0.500000| |17.543469|8.773956|6.778002|4.500384|3.616243|0.103181|2.880089|4.707021|3.537128|2.176263|1.991366|0.055616|2.016425|2.024785|1.983916|1.938556|1.932329|1.969420|2.352434|0.047174|1.649517|1.458458|1.427704|1.579494|4.556749|2.810062|3.519548|15.321119|3.434587|3.712945|2.160975|2.484868|2.465929|2.130592|1.915617|1.923040|0.301620|0.500000| |17.565199|8.788798|5.461289|4.048409|3.161990|0.085850|2.637270|4.486556|3.193124|2.011072|1.831218|0.051490|1.813011|1.806971|1.747289|1.698350|1.704019|1.758727|2.195792|0.043891|1.569879|1.394629|1.349799|1.475037|4.044326|2.496534|3.095257|13.700562|3.133042|3.271043|1.964922|2.260169|2.297865|2.008907|1.792717|1.773335|0.301896|0.301854|0.500000| |8.857814|17.516011|8.854018|6.894035|4.527488|0.112360|3.672275|6.412256|4.129311|2.538215|2.211001|0.061952|2.123005|2.058671|1.932571|1.871663|1.920155|2.042975|2.617024|0.052199|1.893226|1.643351|1.561709|1.711000|5.640789|3.222133|3.847617|16.368661|3.763084|3.756733|2.365238|2.824150|2.866280|2.406867|2.103091|2.084012|0.210620|0.172920|0.212959|0.500000| |8.860540|17.518955|8.858728|6.896125|4.552686|0.121221|3.713130|6.164455|4.378601|2.632500|2.353673|0.067145|2.290597|2.281043|2.145331|2.038144|2.045609|2.161437|2.730213|0.053803|1.946255|1.686630|1.620371|1.802900|5.170900|3.030708|3.798128|16.039971|3.698520|3.749852|2.222821|2.579756|2.515681|2.137025|1.920746|1.947290|0.172926|0.210670|0.213065|0.304024|0.500000| |6.871794|8.851182|17.512864|8.852789|6.857166|0.208937|4.564527|6.863958|5.382562|3.049338|2.685606|0.073843|2.731602|2.682629|2.575224|2.519145|2.561505|2.665979|3.041609|0.061098|2.089442|1.792807|1.752822|1.982563|7.640675|4.290560|5.320466|21.109930|4.609273|4.987586|2.876825|3.420694|3.194610|2.613007|2.345577|2.428185|0.168862|0.203841|0.140509|0.173660|0.211878|0.500000| |6.902517|8.868081|17.518714|8.803345|6.745982|0.170977|4.475085|7.187836|4.927186|2.899596|2.475335|0.066991|2.456614|2.337151|2.227604|2.222115|2.325476|2.450004|2.883257|0.058696|2.021126|1.738785|1.677289|1.860035|9.435207|4.883596|5.450686|21.853655|4.730062|5.001171|3.204663|4.057910|4.022416|3.158772|2.702324|2.708477|0.204675|0.169876|0.140870|0.211551|0.173884|0.304363|0.500000| |4.512912|6.813402|8.772387|17.543294|8.893906|0.174240|6.947938|12.449932|6.508430|3.753860|3.009131|0.082870|2.779547|2.578613|2.331591|2.255395|2.386674|2.652535|3.451212|0.068835|2.499882|2.081026|1.943874|2.157683|9.644652|4.800648|5.532809|21.787249|5.051617|4.724724|3.083578|3.823428|3.658409|2.906077|2.538594|2.587758|0.119015|0.110814|0.108217|0.205631|0.170389|0.172935|0.209044|0.500000| |4.552396|6.906084|8.863171|17.538169|8.963923|0.211891|7.126767|10.761330|7.546136|4.043561|3.376726|0.096029|3.170162|3.044328|2.723970|2.554380|2.628049|2.910654|3.701573|0.072219|2.611236|2.161075|2.051425|2.339435|7.687127|4.204197|5.352807|20.923541|4.872446|4.690944|2.775684|3.262055|2.994707|2.459095|2.230229|2.331871|0.111532|0.119972|0.109116|0.172338|0.209037|0.211830|0.173337|0.304758|0.500000| |2.628785|3.125672|3.968400|5.056873|7.580987|0.244490|9.597388|11.067267|25.990203|9.252793|7.098375|0.167383|7.340600|5.759452|4.695947|4.520216|5.178759|6.720579|6.419915|0.129104|3.884776|3.016453|2.988498|3.701506|7.699387|5.673211|10.067563|35.539315|8.551590|7.678838|3.780030|4.005361|3.205648|2.677121|2.609285|2.985635|0.070057|0.073883|0.064958|0.081215|0.087265|0.115040|0.101949|0.120414|0.141761|0.500000| |2.097201|2.443764|2.908770|3.621997|4.762893|0.126308|6.904237|11.341687|12.413844|17.507644|8.797922|0.174028|6.530717|4.517651|3.646486|3.628979|4.453575|6.422098|9.860200|0.221583|6.085196|4.233657|3.933010|4.669382|5.990511|4.847725|8.129535|36.926435|11.555441|7.226453|3.959820|3.919246|3.162423|2.743601|2.760474|3.216220|0.057022|0.057543|0.053205|0.066681|0.067490|0.079693|0.078220|0.097309|0.099086|0.215926|0.500000| |2.167044|2.585683|2.988448|3.879448|4.682354|0.119086|7.468737|13.988632|12.673811|17.675283|8.815931|0.219991|5.470980|4.257081|3.325759|3.100858|3.485024|4.604714|9.356786|0.169950|7.118310|4.519572|3.882863|4.574846|5.426220|3.928936|5.900807|25.854661|7.310921|5.389147|3.080946|3.215644|2.757178|2.393306|2.338188|2.595678|0.057929|0.058869|0.055587|0.071401|0.073149|0.080338|0.077872|0.106907|0.112074|0.181760|0.302473|0.500000| |1.956096|2.204528|2.478796|2.827589|3.196587|0.097311|3.630205|5.612374|6.559934|4.860670|7.036578|0.228616|8.892625|17.701082|8.932598|5.650403|4.951010|5.635708|7.022688|0.123304|3.965185|3.371694|3.719230|5.262645|3.668758|2.694367|4.253168|19.744043|5.120628|4.817974|2.258880|2.265235|1.972476|1.769289|1.768004|1.969190|0.051224|0.056082|0.050535|0.057526|0.064598|0.073035|0.063179|0.071305|0.085854|0.141212|0.113415|0.117199|0.500000| |1.847135|2.004922|2.250911|2.417698|2.715996|0.085506|2.828606|4.376173|4.715713|3.327524|4.100462|0.114562|5.637956|8.925775|17.729547|8.911144|5.643293|4.951830|4.701409|0.091334|2.772306|2.515783|2.843196|3.633752|3.259034|2.445432|3.870110|18.708328|4.656105|4.898247|2.139102|2.106609|1.842437|1.676034|1.693960|1.892305|0.048776|0.054099|0.047628|0.051611|0.057976|0.068216|0.058411|0.060436|0.071160|0.108442|0.085211|0.080714|0.216038|0.500000| |1.777224|1.897601|2.172483|2.287256|2.654946|0.084169|2.686466|4.157654|4.348447|3.086738|3.546491|0.090987|4.940919|5.646549|8.919085|17.730513|8.914325|5.646391|4.277534|0.089412|2.520188|2.311430|2.618216|3.186523|3.364510|2.651387|4.328105|22.346891|5.423176|6.351446|2.461714|2.333636|2.007310|1.848080|1.911919|2.187136|0.047965|0.052035|0.045412|0.049017|0.053336|0.065867|0.058188|0.057457|0.064539|0.103516|0.084686|0.073548|0.124283|0.214805|0.500000| |1.803803|1.951467|2.289045|2.467186|3.019479|0.093849|3.127609|4.838896|5.080741|3.752987|4.087497|0.096319|5.639604|4.954067|5.641440|8.891124|17.737892|8.948593|5.071169|0.114939|2.914908|2.618827|2.931333|3.505035|4.009469|3.389601|5.955597|34.387299|8.537826|10.427916|3.367222|3.006886|2.475519|2.282291|2.431701|2.927482|0.049486|0.051840|0.045727|0.051151|0.053730|0.067777|0.062773|0.062805|0.067461|0.123021|0.111549|0.086201|0.107525|0.123987|0.214306|0.500000| |1.902784|2.130762|2.526010|2.900634|3.717003|0.109937|4.318725|6.676777|7.617140|6.530900|6.904890|0.139447|8.829606|5.625500|4.950405|5.660132|8.982842|17.701633|8.412431|0.213551|4.395240|3.618905|3.911213|4.871612|4.850980|4.164329|7.732667|42.623482|13.247584|9.767431|3.908514|3.532590|2.821288|2.537346|2.670164|3.244549|0.052002|0.053526|0.048228|0.056798|0.058770|0.072401|0.068725|0.075104|0.079358|0.178035|0.219273|0.135270|0.123519|0.107498|0.124567|0.218151|0.500000| |1.709437|1.959764|2.190143|2.630715|3.027962|0.079840|3.966253|7.520076|6.167342|6.813972|6.440485|0.157871|4.454774|3.532523|2.877108|2.753216|3.125350|4.024699|12.222973|0.233322|17.670130|8.613827|5.839490|5.797430|3.853328|2.946606|4.420373|22.154564|6.765796|4.750814|2.682848|2.640465|2.320141|2.118960|2.142580|2.384788|0.046280|0.046604|0.044548|0.054543|0.055060|0.059387|0.058643|0.073610|0.074469|0.109525|0.195143|0.221434|0.096265|0.070547|0.066427|0.079456|0.122986|0.500000| |1.734117|1.996959|2.197671|2.643824|2.944961|0.078906|3.823549|7.038883|6.164812|6.370271|7.267924|0.220002|4.699145|3.971807|3.101481|2.810237|3.032434|3.828745|12.384305|0.183170|17.637178|8.699562|6.097664|6.730837|3.577636|2.638513|3.937107|19.003375|5.454604|4.221821|2.306988|2.317814|2.060628|1.870383|1.866263|2.049648|0.046278|0.047520|0.045467|0.055184|0.057296|0.060089|0.057574|0.073025|0.077697|0.108470|0.151565|0.213226|0.115842|0.077300|0.067471|0.074885|0.107569|0.301478|0.500000| |1.413622|1.580216|1.727095|1.987465|2.214753|0.059853|2.669516|4.924125|4.057980|3.847087|4.184527|0.109436|3.408336|2.916565|2.493617|2.405274|2.656816|3.187809|8.276346|0.165791|8.739770|17.620587|8.719620|5.793682|2.876440|2.211789|3.288338|17.323858|5.188331|3.912830|2.141890|2.061417|1.856049|1.750046|1.800014|1.984314|0.038382|0.038784|0.037248|0.043896|0.044487|0.047327|0.046556|0.055368|0.056324|0.076905|0.110186|0.112849|0.080132|0.062676|0.059507|0.068899|0.094264|0.222837|0.178635|0.500000| |1.431884|1.606421|1.736216|2.002815|2.187640|0.059419|2.638177|4.833589|4.056713|3.762260|4.324695|0.123461|3.441766|3.081527|2.580189|2.394012|2.548894|3.028499|8.094349|0.141075|8.821214|17.612669|8.730635|6.316091|2.764535|2.074305|3.066773|15.616475|4.499024|3.573990|1.934428|1.899639|1.720726|1.606918|1.629132|1.777778|0.038501|0.039369|0.037918|0.044499|0.045836|0.047726|0.046161|0.055541|0.057963|0.076182|0.100123|0.112959|0.088569|0.065921|0.059115|0.064703|0.085379|0.183677|0.228131|0.303619|0.500000| |1.384671|1.530110|1.688006|1.908704|2.161177|0.060321|2.531412|4.435247|4.005710|3.698627|4.491183|0.112988|4.090070|3.505390|3.050014|2.985987|3.319283|3.933914|9.303780|0.201755|6.266064|8.743775|17.568722|8.865937|2.801142|2.194103|3.374695|18.251027|5.465531|4.290238|2.161344|2.032866|1.801260|1.703026|1.778252|1.999232|0.037587|0.038495|0.036310|0.041843|0.043088|0.047182|0.045511|0.051894|0.054093|0.079694|0.106653|0.098696|0.092770|0.075436|0.073215|0.085264|0.112974|0.147297|0.135278|0.224593|0.176179|0.500000| |1.345375|1.486189|1.616213|1.822747|2.015164|0.056333|2.346966|4.120962|3.700026|3.313610|4.128899|0.113634|3.709793|3.423906|2.951869|2.754808|2.893940|3.334866|7.825264|0.144729|5.724360|8.662056|17.619500|8.805588|2.563160|1.958686|2.963972|15.508860|4.453239|3.678310|1.873019|1.800458|1.616667|1.522115|1.566649|1.731759|0.036245|0.037455|0.035521|0.040615|0.042318|0.045241|0.043132|0.049533|0.052508|0.072939|0.090121|0.091092|0.095846|0.075361|0.068142|0.073088|0.091076|0.125792|0.139440|0.188241|0.222229|0.303201|0.500000| |1.589917|1.783460|1.963480|2.258442|2.527939|0.071772|3.021579|5.123753|5.098852|4.655445|7.071087|0.216197|5.965171|5.618310|4.243061|3.628553|3.712503|4.531588|12.404326|0.182532|7.024822|6.744370|8.755432|17.610584|3.082121|2.319912|3.581955|17.835217|5.015601|4.209478|2.091044|2.047413|1.808121|1.661755|1.686475|1.875094|0.042349|0.044518|0.041669|0.048164|0.051391|0.055513|0.051446|0.060166|0.066512|0.099990|0.115896|0.123476|0.167457|0.105292|0.085345|0.087849|0.114961|0.141557|0.193086|0.137487|0.172952|0.173627|0.216568|0.500000| |1.553852|1.724088|1.926093|2.183318|2.510415|0.072442|2.932814|4.876281|4.974300|4.502980|6.663268|0.164909|7.044915|6.087142|4.914442|4.515655|4.861441|5.988941|12.215342|0.228620|5.730702|5.634830|8.630414|17.688436|3.140293|2.442641|3.885100|20.200601|5.808413|4.872536|2.285914|2.174813|1.891973|1.752067|1.810606|2.053154|0.041778|0.043733|0.040451|0.046334|0.049012|0.054919|0.051173|0.057731|0.062868|0.102646|0.121445|0.111161|0.153509|0.115248|0.103731|0.113489|0.148975|0.128961|0.138508|0.128448|0.131064|0.217443|0.195502|0.300445|0.500000| |3.676241|4.510889|6.337596|7.454098|9.017370|0.183482|6.329151|10.686853|6.201194|3.705498|2.925242|0.076113|2.808691|2.515571|2.334526|2.372433|2.614831|2.876023|3.437872|0.071583|2.429245|2.042624|1.936011|2.131181|26.061511|9.511793|8.218706|30.658000|6.559238|6.291648|4.823088|7.209056|6.779195|4.549357|3.723220|3.776743|0.107016|0.094545|0.086925|0.127221|0.107699|0.146540|0.211706|0.216944|0.147490|0.123786|0.105316|0.099418|0.066638|0.059372|0.060828|0.071240|0.084823|0.073074|0.067820|0.055379|0.053247|0.053022|0.048826|0.057611|0.058105|0.500000| |2.903470|3.187699|3.869416|3.934045|4.370670|0.107162|3.739076|6.666993|4.220012|2.781018|2.311581|0.059748|2.259097|2.034241|1.937865|2.019593|2.240281|2.392436|2.866482|0.060965|2.044354|1.781895|1.699947|1.819857|8.798190|6.503939|6.217473|28.774990|6.099540|6.055455|5.630298|8.845338|17.727583|8.909066|5.625409|4.893232|0.088681|0.075361|0.071209|0.091461|0.077116|0.096657|0.130705|0.115075|0.089634|0.086205|0.082456|0.074917|0.053529|0.049656|0.052934|0.063226|0.071839|0.061799|0.055871|0.049353|0.046381|0.047431|0.043161|0.048590|0.050048|0.225979|0.500000| 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