Version2.0 2020-01-23T07:50:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc2c(c1)sc(n2)N(C[C@@H]3CCCO3)C(=O)[C@@H]4CCCN(C4)S(=O)(=O)c5ccc(cc5)C C14023161 RHF 6-31G(d) (6D,7F) CCc1ccc2c(c1)sc(n2)N(C[C@@H]3CCCO3)C(=O)[C@@H]4CCCN(C4)S(=O)(=O)c5ccc(cc5)C C01[X(C27H33N3O4S2)] 201 C1 614 CCc1ccc2c(c1)sc(n2)N(C(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C)C[C@@H]1CCCO1 CCc1ccc2c(c1)sc(n2)N(C(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C)C[C@@H]1CCCO1 CCc1ccc2nc(sc2c1)N(C[C@@H]3CCCO3)C(=O)[C@@H]4CCCN(C4)[S](=O)(=O)c5ccc(C)cc5 InChIKey=QRWVADIDUCKTOC-YADHBBJMSA-N InChI=1S/C27H33N3O4S2/c1-3-20-10-13-24-25(16-20)35-27(28-24)30(18-22-7-5-15-34-22)26(31)21-6-4-14-29(17-21)36(32,33)23-11-8-19(2)9-12-23/h8-13,16,21-22H,3-7,14-15,17-18H2,1-2H3/t21-,22+/m1/s1 InChI=1/C27H33N3O4S2/c1-3-20-10-13-24-25(16-20)35-27(28-24)30(18-22-7-5-15-34-22)26(31)21-6-4-14-29(17-21)36(32,33)23-11-8-19(2)9-12-23/h8-13,16,21-22H,3-7,14-15,17-18H2,1-2H3/t21-,22+/m1/s1 CCc1ccc2c(c1)sc(n2)N(C[C@@H]3CCCO3)C(=O)[C@@H]4CCCN(C4)S(=O)(=O)c5ccc(cc5)C C01[X(C27H33N3O4S2)] 201 C01 614 CCc1ccc2c(c1)sc(n2)N(C(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C)C[C@@H]1CCCO1 CCc1ccc2c(c1)sc(n2)N(C(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C)C[C@@H]1CCCO1 CCc1ccc2nc(sc2c1)N(C[C@@H]3CCCO3)C(=O)[C@@H]4CCCN(C4)[S](=O)(=O)c5ccc(C)cc5 InChIKey=QRWVADIDUCKTOC-YADHBBJMSA-N InChI=1S/C27H33N3O4S2/c1-3-20-10-13-24-25(16-20)35-27(28-24)30(18-22-7-5-15-34-22)26(31)21-6-4-14-29(17-21)36(32,33)23-11-8-19(2)9-12-23/h8-13,16,21-22H,3-7,14-15,17-18H2,1-2H3/t21-,22+/m1/s1 InChI=1/C27H33N3O4S2/c1-3-20-10-13-24-25(16-20)35-27(28-24)30(18-22-7-5-15-34-22)26(31)21-6-4-14-29(17-21)36(32,33)23-11-8-19(2)9-12-23/h8-13,16,21-22H,3-7,14-15,17-18H2,1-2H3/t21-,22+/m1/s1 4383.0034757497 -2299.4405793 1-A 25517.5966 140 474 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10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 6 6 6 6 6 6 6 6 16 6 7 7 6 6 1 6 6 6 8 6 8 6 1 6 6 6 7 6 16 8 8 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 10496.6373 38866.0836 42302.1547 0.99995 -0.00910 -0.00407 0.00904 0.99985 -0.01469 0.00421 0.01465 0.99988 1 0.00825 0.00223 0.00205 0.17194 0.04643 0.04266 13.22 23.76 36.48 42.33 42.92 49.81 51.22 60.96 63.38 77.73 85.42 96.23 113.38 138.10 156.76 183.01 215.43 226.09 248.61 264.40 278.77 287.30 306.19 322.44 348.91 372.03 399.04 422.65 435.48 448.04 470.19 486.88 499.35 516.51 533.79 556.49 590.69 608.15 628.98 657.46 666.56 682.45 700.65 710.85 750.27 758.32 783.59 800.10 818.21 836.06 866.76 909.26 926.62 967.07 997.09 1001.83 1002.45 1025.24 1053.10 1068.36 1095.71 1121.02 1141.94 1172.51 1197.33 1203.73 1226.26 1263.60 1269.87 1297.97 1312.83 1327.43 1351.60 1356.11 1361.79 1374.10 1375.72 1395.25 1419.25 1432.98 1441.51 1451.11 1490.65 1499.44 1510.31 1524.55 1565.77 1569.46 1572.39 1573.67 1602.17 1605.79 1615.00 1638.08 1658.84 1667.85 1685.64 1687.72 1706.09 1713.39 1715.80 1718.67 1735.99 1756.44 1775.91 1792.11 1812.34 1815.63 1828.77 1852.40 1874.04 1883.45 1891.43 1893.13 1894.04 1917.50 1918.19 1918.73 1942.66 1972.83 1985.54 1987.77 2024.67 2043.78 2052.23 2065.28 2070.50 2076.47 2086.45 2096.84 2101.15 2124.77 2144.26 2153.06 2160.31 2169.09 2185.31 2202.00 2212.17 2233.77 2243.46 2244.02 2245.76 2255.18 2269.58 2281.56 2292.29 2345.10 2347.63 2351.77 2352.43 2355.51 2360.13 2367.02 2369.59 2373.05 2375.29 2376.98 2382.59 2400.02 2414.13 2430.96 2486.92 2533.67 2547.04 2603.92 2608.78 2803.65 4586.97 4606.13 4611.45 4614.72 4616.29 4617.50 4622.67 4638.80 4644.63 4660.06 4670.19 4670.51 4686.12 4693.27 4696.83 4698.69 4699.65 4712.01 4718.38 4730.48 4732.29 4764.03 4775.60 4800.91 4820.08 4825.94 4835.31 4838.23 4841.85 4851.89 4874.96 4897.68 4914.85 0.614729 0.646817 0.647762 0.544812 -2298.825850 -2298.793762 -2298.792818 -2298.895768 3.452960D-04 MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE CCc1ccc2c(c1)sc(n2)N(C[C@@H]3CCCO3)C(=O)[C@@H]4CCCN(C4)S(=O)(=O)c5ccc(cc5)C C14023161 RHF 6-31G(d) (6D,10F) C1 527.191250 |X|Y|Z| 138.820351 63.755046 46.709368 74.494446 30 6 7 8 16 24 3 1 2 |36.858105| |12.423287|36.858105| |7.497093|12.575849|36.858105| |5.739775|7.526613|13.576858|36.858105| |4.190729|5.001032|7.839337|13.838916|36.858105| |3.748662|4.426148|6.828983|7.992557|13.685218|36.858105| |4.134165|5.026758|7.967060|6.953091|7.935322|13.742645|36.858105| |5.576796|7.559219|13.775994|7.938472|6.803585|7.864930|13.712751|36.858105| |3.120512|3.557076|4.676499|4.260278|4.881767|7.418459|10.896340|6.717868|388.023441| |2.752332|3.080970|4.042598|4.168957|5.400694|8.666328|7.805730|4.978276|76.819596|36.858105| |2.967769|3.351940|4.569570|5.163260|7.723908|13.761981|8.148496|5.236903|52.372128|14.956913|53.358707| |2.299027|2.513928|3.119516|3.227313|3.998557|5.412748|4.985288|3.664114|48.496647|13.651958|11.200632|53.358707| |2.108673|2.283487|2.788758|3.006811|3.782856|4.692654|3.996999|3.098457|33.008603|7.866325|9.684512|17.653875|36.858105| |1.987644|2.189112|2.643541|2.879291|3.583661|4.229809|3.591831|2.873497|28.224151|5.969876|8.044146|10.412686|12.535300|36.858105| |2.153304|2.420159|2.974840|3.285008|4.186055|4.978927|4.086742|3.223411|30.752938|6.543594|9.519284|9.631947|8.922418|17.571852|0.500000| |1.806957|1.963066|2.317376|2.564713|3.130892|3.440290|2.915179|2.435533|21.764305|4.197716|6.026807|6.714724|7.449592|12.479320|0.245692|36.858105| |1.651817|1.805376|2.092139|2.277182|2.686987|2.911618|2.560529|2.193774|19.210972|3.454722|4.811958|5.388524|5.104556|8.056522|0.190333|12.457298|36.858105| |1.632859|1.789049|2.070931|2.196504|2.561136|2.869435|2.613747|2.224246|20.607739|3.650073|4.761735|5.994329|5.336891|8.159029|0.183261|7.998348|12.433480|36.858105| |1.812890|1.995890|2.358187|2.489077|2.963324|3.475404|3.156721|2.592685|25.987306|4.920215|6.094670|8.836001|7.958787|13.487395|0.258991|8.168520|8.080988|13.480338|73.516695| |2.105018|2.281792|2.740569|2.735979|3.206165|4.132904|4.170364|3.250861|43.665085|7.883570|7.255907|18.760662|7.583828|5.636517|0.142275|4.009625|3.482928|4.121192|10.394168|36.858105| |2.191149|2.384552|2.844151|2.740789|3.114643|4.029318|4.401727|3.483309|51.385139|7.019383|6.507118|11.559158|5.296624|4.350189|0.117134|3.269249|2.946801|3.438635|8.084386|15.896400|73.516695| |1.811034|1.933659|2.257648|2.276002|2.620927|3.179349|3.140670|2.583954|29.335764|5.009666|5.375667|10.333988|6.457037|5.130740|0.120490|3.971310|3.540324|4.353368|10.407003|12.517580|14.352274|36.858105| |1.739852|1.863771|2.174457|2.230713|2.592814|3.090054|2.955743|2.442427|26.224941|4.694496|5.306298|9.676843|7.342646|6.223264|0.135631|4.823366|4.294718|5.532416|13.664399|8.835569|10.639070|17.679138|0.500000| |1.760681|1.839448|2.124906|2.143915|2.444869|2.904734|2.866312|2.404585|25.771599|4.258800|4.787446|7.927808|5.340597|4.069810|0.097333|3.429022|2.990932|3.427147|7.518559|7.617102|10.633291|12.369354|0.244912|36.858105| |1.543460|1.603313|1.817187|1.837336|2.062717|2.372563|2.334732|2.017331|20.071767|3.210662|3.795204|5.572596|4.060697|3.402453|0.081549|3.061536|2.776711|3.184309|6.498456|4.944217|7.517034|7.573718|0.190956|12.465970|36.858105| |1.457614|1.521413|1.706486|1.704217|1.885443|2.159959|2.168410|1.900807|18.770267|2.868330|3.377809|4.814913|3.380935|3.006525|0.073869|2.692647|2.554576|3.008569|5.998451|4.427315|7.219115|6.516015|0.161260|7.545202|12.502337|36.858105| |1.491966|1.579246|1.780947|1.777789|1.975363|2.281597|2.292761|1.994402|20.129583|3.094913|3.597358|5.290937|3.668287|3.399015|0.083207|2.960652|2.889268|3.591916|7.238643|5.046460|8.152239|7.825537|0.200410|6.622213|7.818608|12.945295|53.358707| |1.672816|1.789105|2.047283|2.027946|2.271785|2.699726|2.752607|2.341970|25.502092|3.907104|4.319603|6.935109|4.388848|3.956209|0.097917|3.219138|3.077722|3.875323|8.493878|7.648740|12.398791|12.435279|0.250168|7.568231|6.545540|7.759064|17.656621|36.858105| |1.364230|1.446495|1.607450|1.594701|1.744054|1.980824|2.008390|1.786104|17.224297|2.555568|3.039016|4.132020|2.881539|2.807872|0.070877|2.512266|2.554734|3.158916|5.997888|3.729570|6.408690|4.832981|0.130230|4.219770|4.821437|7.198464|15.663179|7.226234|388.023441| |1.387883|1.473984|1.628292|1.592835|1.722479|1.961973|2.031906|1.824741|17.622076|2.505931|2.956302|3.932901|2.643028|2.561736|0.066390|2.259781|2.286358|2.776094|5.356529|3.591374|6.573077|4.288486|0.109746|3.760674|3.994646|5.591665|10.201084|6.500381|94.476029|73.516695| |1.254828|1.318944|1.454096|1.449351|1.577977|1.766329|1.777238|1.596731|14.872384|2.215211|2.690183|3.530198|2.533311|2.463772|0.062115|2.283333|2.320666|2.775980|5.107408|3.058622|5.208820|3.888968|0.107433|3.704035|4.564222|6.743307|10.480039|5.010965|94.579672|13.679106|73.516695| |1.351713|1.448698|1.613080|1.613686|1.771926|1.999385|2.001482|1.778281|16.857089|2.548604|3.077759|4.097842|2.938968|3.047273|0.077043|2.750499|2.943447|3.821976|6.873215|3.541928|5.956340|4.366979|0.128151|3.569260|3.837444|4.764984|9.662911|5.839517|76.653419|13.075101|12.999501|36.858105| |1.374302|1.486028|1.649453|1.638337|1.785931|2.014121|2.037983|1.823303|17.139744|2.529936|3.057612|3.953306|2.773003|2.937413|0.076615|2.613766|2.840593|3.677332|6.618427|3.381327|5.886883|3.853442|0.110513|3.106998|3.163391|3.758202|7.077653|5.042307|49.562772|11.683105|9.006391|13.792036|36.858105| |1.338773|1.455367|1.610522|1.610766|1.753395|1.952433|1.954967|1.760092|16.014226|2.384314|2.946147|3.655294|2.626077|2.893792|0.076550|2.632972|2.980872|3.860275|6.536532|2.987267|5.148134|3.278788|0.096771|2.679998|2.699476|3.046439|5.372474|3.916356|33.673990|7.907419|6.911015|7.967699|13.722091|36.858105| |1.285716|1.392610|1.541361|1.560799|1.708055|1.881436|1.850632|1.664893|14.874290|2.270789|2.857680|3.500279|2.613061|2.943073|0.076709|2.786791|3.272251|4.248835|6.664850|2.779268|4.658294|3.095478|0.094700|2.578153|2.642702|2.905200|4.979979|3.503004|29.800658|6.558990|6.558616|6.854687|7.891038|13.746468|36.858105| |1.267239|1.361650|1.511464|1.539138|1.695437|1.869381|1.823484|1.630581|14.696547|2.285220|2.874290|3.602222|2.751761|3.052080|0.077077|2.951491|3.424794|4.465828|6.920681|2.870677|4.699514|3.351704|0.105343|2.831723|3.009229|3.315936|5.701727|3.753098|33.749636|6.809261|7.756285|7.970685|6.876632|7.960027|13.639491|36.858105| |1.296829|1.386201|1.543025|1.562908|1.724692|1.922947|1.889478|1.679694|15.541206|2.411637|2.977254|3.885297|2.923189|3.105675|0.077181|2.928346|3.222444|4.197520|7.024485|3.212335|5.234961|3.970081|0.123836|3.348583|3.696009|4.297293|7.868362|4.697550|49.580732|8.769605|11.139519|13.700106|7.911512|6.875720|7.889664|13.826473|36.858105| |1.234523|1.340264|1.473819|1.500048|1.632336|1.769787|1.729741|1.572540|13.558964|2.064910|2.654836|3.105506|2.345802|2.689548|0.071613|2.622401|3.165074|3.874883|5.865012|2.390194|4.025959|2.574273|0.078401|2.193546|2.224125|2.377759|3.888849|2.794621|22.371448|5.105560|5.113424|4.441520|5.008607|7.549885|12.614972|7.558907|5.021685|36.858105| |17.554993|8.771007|6.790987|5.102038|3.994207|3.773680|4.326350|5.829502|23.753332|2.864219|4.111847|3.253078|2.160173|2.002661|0.059727|1.806350|1.643849|1.639087|3.259422|2.208631|4.129576|1.891187|0.049969|1.853973|1.615945|1.524549|2.112061|1.745994|10.046745|2.564775|2.307826|1.386562|1.405578|1.358687|1.299813|1.284990|1.323927|1.239693|0.500000| |17.542506|8.774304|5.474983|4.464886|3.430301|3.109528|3.397794|4.387336|19.170620|2.392537|3.467871|2.778358|1.885650|1.793575|0.053689|1.645035|1.519566|1.503724|2.939093|1.893413|3.508591|1.650641|0.044138|1.607339|1.424268|1.354024|1.884643|1.540889|9.081280|2.315732|2.096719|1.266202|1.290223|1.260022|1.210312|1.190462|1.215436|1.166637|0.301024|0.500000| |17.553065|8.761647|6.790828|6.111466|4.442477|3.786534|3.937898|4.947996|21.112916|2.728910|4.099545|3.117413|2.137410|2.010042|0.060363|1.847676|1.675316|1.637660|3.221907|2.070764|3.773211|1.792972|0.048151|1.754535|1.540656|1.443052|2.002390|1.640509|9.524671|2.403944|2.199613|1.328750|1.343220|1.310831|1.267311|1.255178|1.283217|1.218876|0.301892|0.301199|0.500000| |8.854496|17.537683|8.913413|7.075933|4.715401|3.988946|4.252529|5.724564|22.159645|2.809286|4.217149|3.173621|2.160513|2.110491|0.065118|1.918716|1.779376|1.746473|3.421015|2.111124|3.877374|1.811527|0.048996|1.717143|1.510795|1.436193|2.035175|1.681207|9.797082|2.486253|2.240865|1.391553|1.430365|1.412599|1.358608|1.324933|1.339210|1.318285|0.173058|0.213229|0.210526|0.500000| |8.856913|17.547322|8.914322|5.633749|4.194037|3.975631|4.751775|7.221652|25.253115|2.957329|4.231958|3.316903|2.184467|2.102418|0.064338|1.873247|1.742288|1.748369|3.466150|2.257130|4.264802|1.912604|0.050911|1.809770|1.581410|1.516118|2.150047|1.794653|10.364505|2.664195|2.354965|1.457954|1.505809|1.472542|1.398590|1.359942|1.385434|1.344515|0.210971|0.213085|0.172996|0.304257|0.500000| |5.721559|7.023720|8.893649|17.698331|8.982159|5.671883|4.991955|5.653355|24.425191|3.428312|5.664895|3.784562|2.663647|2.590543|0.081221|2.376747|2.131234|2.030104|4.007146|2.391162|4.231431|2.039078|0.055958|1.936291|1.685321|1.566454|2.215508|1.831073|10.464930|2.606451|2.396780|1.493638|1.515003|1.498421|1.461093|1.441493|1.456124|1.415534|0.132748|0.128044|0.182168|0.211117|0.143106|0.500000| |3.579402|4.077105|5.590014|8.893729|17.728378|8.901045|5.645858|4.916730|28.803916|4.803990|9.482873|5.170491|3.833338|3.712275|0.120270|3.375702|2.849549|2.629819|5.318446|3.020540|5.083036|2.538108|0.071073|2.380819|2.032048|1.843501|2.622721|2.185448|12.093466|2.953663|2.755320|1.739534|1.742105|1.721879|1.697821|1.694875|1.714321|1.632629|0.094155|0.084026|0.108080|0.111490|0.096510|0.215093|0.500000| |5.397517|6.986657|8.910155|5.633269|4.914999|5.611787|8.877905|17.705506|44.194438|4.303594|5.783129|4.529149|2.788959|2.591368|0.079358|2.206811|2.018189|2.074891|4.270715|3.089129|6.073613|2.480696|0.064412|2.317071|1.957786|1.869796|2.666727|2.300381|12.600815|3.261446|2.812818|1.750832|1.805448|1.733719|1.625414|1.585554|1.638919|1.531488|0.165046|0.122997|0.125760|0.145188|0.217551|0.124039|0.106894|0.500000| |1.920343|2.047909|2.443045|2.600172|3.159492|3.776131|3.353453|2.696125|27.939197|5.797129|7.056771|12.435019|17.690221|8.906732|0.174896|6.798750|4.858516|5.232722|12.920386|7.205874|8.847004|7.583495|0.261746|6.640486|5.019095|3.924215|5.673157|4.799024|22.329754|4.974002|4.961711|3.140327|2.861161|2.667298|2.682218|2.910829|3.169837|2.370962|0.054903|0.048127|0.054078|0.053892|0.054717|0.065007|0.089126|0.068775|0.500000| |2.239055|2.403847|2.967412|3.295760|4.286205|5.213547|4.170505|3.228508|31.876773|7.572441|11.143417|12.546274|17.682124|8.912064|0.212509|6.836503|4.547748|4.366453|10.200056|5.774851|7.918157|4.935791|0.147611|4.542313|3.559773|2.955259|4.214817|3.586627|17.767444|4.123083|3.989877|2.524115|2.397283|2.292390|2.291835|2.402628|2.525109|2.097679|0.063553|0.055193|0.063942|0.063195|0.062843|0.081162|0.124391|0.079147|0.303739|0.500000| |1.712508|1.833525|2.143183|2.350189|2.827813|3.103066|2.677788|2.256378|20.277300|3.838864|5.367437|6.344734|7.146103|8.814487|0.174308|17.516960|8.802734|6.805207|12.215528|3.927328|5.634332|4.121269|0.142217|3.707295|3.385902|2.889741|4.232230|3.280587|18.425892|4.070742|4.255264|2.786271|2.574859|2.553421|2.723744|2.976430|3.015081|2.528234|0.047867|0.043432|0.048741|0.049559|0.048659|0.060771|0.084155|0.057302|0.212155|0.184164|0.500000| |1.878854|2.040063|2.415391|2.741501|3.393875|3.592403|2.951096|2.485148|21.059355|4.027290|6.174400|5.993484|6.280380|8.715636|0.219362|17.590305|8.659504|5.698916|10.357024|3.520659|5.257286|3.376713|0.108423|3.022189|2.697103|2.377895|3.487897|2.782725|15.700037|3.588275|3.602832|2.383256|2.292010|2.317301|2.434680|2.542393|2.511890|2.335493|0.051761|0.047401|0.053892|0.055803|0.053474|0.071314|0.105508|0.061804|0.153535|0.183591|0.300996|0.500000| |1.522637|1.648233|1.883835|2.045077|2.374013|2.527832|2.247255|1.958645|16.751707|2.925248|4.073826|4.519902|4.179947|5.723825|0.138132|8.663079|17.582972|8.698164|10.404045|3.004679|4.588708|3.141414|0.104850|2.745265|2.632482|2.429485|3.684036|2.786732|17.292178|3.834672|4.017836|2.804116|2.670304|2.823347|3.187918|3.414777|3.160580|3.145741|0.042075|0.039143|0.043008|0.045274|0.044203|0.053783|0.070171|0.050403|0.115892|0.106737|0.216980|0.193909|0.500000| |1.693785|1.870763|2.166526|2.374746|2.793373|2.973684|2.601327|2.248412|19.030381|3.358389|4.792208|4.979458|4.467865|6.852301|0.190946|8.828622|17.555100|8.793943|11.724990|3.197276|4.945186|3.129330|0.101286|2.656492|2.448490|2.286222|3.510125|2.781184|16.557636|3.785181|3.752241|2.682377|2.665271|2.845379|3.083327|3.102080|2.876900|3.081163|0.046439|0.043333|0.047689|0.051672|0.050107|0.062055|0.082756|0.057216|0.113288|0.114332|0.174059|0.217781|0.301867|0.500000| |1.522991|1.650226|1.890593|1.990130|2.292495|2.556435|2.361817|2.030729|18.796451|3.253937|4.189637|5.427793|4.780711|6.272882|0.139440|6.515536|8.735995|17.563111|16.627733|3.911788|5.807428|4.456882|0.162576|3.573584|3.475889|3.303189|5.413152|4.051356|24.840264|5.248035|5.538471|4.318264|3.932773|4.073308|4.688443|5.374911|5.079967|4.109061|0.042664|0.039119|0.042442|0.044640|0.044902|0.051341|0.065216|0.053109|0.140938|0.109697|0.179481|0.133666|0.220456|0.174847|0.500000| |1.598447|1.764243|2.025928|2.128355|2.442216|2.717956|2.521293|2.175371|19.805631|3.358530|4.369131|5.284902|4.347975|6.173296|0.158087|5.790866|8.681178|17.590049|16.575513|3.737867|5.789210|3.851817|0.128529|3.038143|2.844362|2.781859|4.580511|3.645007|22.070423|4.945845|4.804627|3.910529|3.968559|4.411743|4.897794|4.771593|4.232026|4.607167|0.044423|0.041082|0.044265|0.048047|0.048249|0.054784|0.068995|0.056805|0.115928|0.101778|0.137701|0.128127|0.190037|0.222156|0.301636|0.500000| |1.816472|1.885698|2.168095|2.150587|2.417575|2.885514|2.935908|2.484032|27.010746|4.161865|4.615705|7.211096|4.509862|3.509911|0.087426|2.959540|2.615164|2.956780|6.400696|7.117750|11.424743|8.851153|0.173829|17.528943|8.838693|6.769191|7.841902|6.848374|28.102876|6.650083|6.164796|3.255491|2.911826|2.500477|2.363736|2.543061|2.976851|2.027318|0.053687|0.046063|0.049970|0.048479|0.051838|0.053751|0.064430|0.067419|0.142858|0.111091|0.086785|0.074255|0.066805|0.065991|0.084151|0.074734|0.500000| |1.828227|1.898843|2.210451|2.264407|2.619540|3.103504|2.978661|2.477189|25.951894|4.520673|5.222026|8.428314|6.135950|4.333433|0.102398|3.713491|3.096275|3.406402|7.469135|6.869789|9.360624|8.742894|0.211003|17.546150|8.826828|5.499369|6.731664|5.491470|24.602012|5.528373|5.572954|3.079314|2.728616|2.426924|2.375752|2.601866|2.984116|2.065026|0.053427|0.046118|0.051091|0.049249|0.051331|0.056832|0.071617|0.065334|0.224890|0.151012|0.114057|0.092008|0.078963|0.076039|0.097381|0.082379|0.303334|0.500000| |1.501810|1.543129|1.735524|1.752683|1.951496|2.218163|2.187874|1.914042|18.457720|2.896450|3.487281|4.822359|3.522795|2.954636|0.072125|2.721294|2.459181|2.733412|5.468432|4.101073|6.483533|5.504313|0.139992|8.831011|17.544427|8.907220|7.685976|4.910936|28.463901|6.151108|7.093053|3.216079|2.715572|2.355377|2.314224|2.608997|3.125769|1.985449|0.043824|0.038593|0.041752|0.040354|0.042213|0.044889|0.053471|0.051758|0.117850|0.089382|0.083681|0.068121|0.065496|0.060923|0.081964|0.068455|0.215180|0.211026|0.500000| |1.493662|1.555778|1.764032|1.804887|2.038798|2.320220|2.240365|1.936220|18.817982|3.094058|3.743761|5.397131|4.215603|3.627865|0.084858|3.378719|3.069194|3.517259|6.987112|4.521698|6.694749|6.790729|0.201487|8.840571|17.535662|8.909690|9.557373|5.700454|32.679819|6.509647|7.973064|3.926328|3.175999|2.767391|2.789864|3.268786|4.012308|2.350184|0.043120|0.038324|0.041617|0.041005|0.042439|0.046241|0.056493|0.051775|0.150446|0.102110|0.107209|0.081323|0.081956|0.073576|0.110241|0.085339|0.173522|0.214780|0.302318|0.500000| |1.475044|1.533112|1.710970|1.689795|1.851720|2.125206|2.171131|1.918212|18.970812|2.795747|3.270697|4.563613|3.091478|2.728546|0.068522|2.424456|2.293813|2.661692|5.338926|4.247213|7.336067|5.702299|0.133469|6.761727|8.831209|17.495517|12.273863|7.005146|44.991800|10.195260|10.385862|4.158360|3.468416|2.811744|2.625734|2.900775|3.633612|2.179998|0.043121|0.038118|0.040377|0.040000|0.042649|0.043070|0.049851|0.052955|0.096681|0.076338|0.071198|0.060439|0.060362|0.057967|0.079183|0.069408|0.198069|0.138906|0.216080|0.173974|0.500000| |1.348411|1.402782|1.560174|1.563048|1.718994|1.939861|1.937359|1.718809|16.361217|2.491855|3.001428|4.082952|2.949742|2.695494|0.066532|2.490059|2.401355|2.795055|5.363872|3.579191|5.889589|4.904348|0.130456|5.506057|8.844732|17.687398|12.450745|5.654134|49.670311|9.217179|14.502580|4.655377|3.589634|2.948624|2.868738|3.347856|4.388363|2.355366|0.039034|0.034968|0.037159|0.036975|0.038814|0.040220|0.046982|0.046989|0.094445|0.072855|0.074705|0.061430|0.064614|0.059736|0.086583|0.072261|0.138970|0.123524|0.211852|0.217614|0.301577|0.500000| |1.672009|1.809888|2.071444|2.050745|2.294161|2.722072|2.777954|2.368355|25.565373|3.890469|4.331714|6.720708|4.274427|4.132221|0.104115|3.310183|3.281180|4.309107|9.448446|6.967645|11.678204|8.876199|0.219154|5.518019|4.904469|5.639796|12.407542|17.633116|49.776501|11.664231|8.339784|6.831828|6.388776|4.812383|4.111581|4.235902|5.182571|3.196353|0.048143|0.042855|0.045395|0.047488|0.050641|0.051434|0.061247|0.064615|0.124061|0.096347|0.091100|0.078951|0.081484|0.083245|0.122862|0.116765|0.140488|0.123291|0.108000|0.127831|0.143383|0.127162|0.500000| |1.709681|1.821136|2.071870|2.019229|2.231882|2.659783|2.789619|2.397863|26.431401|3.785505|4.148305|6.349305|3.847038|3.415211|0.087364|2.806665|2.667863|3.234057|6.962357|7.027258|13.538735|8.775906|0.174826|6.806022|5.756223|6.999857|12.273350|17.603561|44.990784|11.971379|8.124283|4.834954|4.435390|3.476394|3.057309|3.189218|3.872018|2.499005|0.049973|0.043798|0.046262|0.047189|0.051123|0.050502|0.058918|0.066463|0.113398|0.090589|0.078857|0.069125|0.067485|0.068337|0.092009|0.086011|0.201478|0.139196|0.129285|0.132297|0.208786|0.143450|0.302713|0.500000| |1.406148|1.521939|1.683935|1.653698|1.789052|2.027611|2.086972|1.877164|17.776857|2.544441|3.043207|3.914291|2.662774|2.762629|0.073208|2.422212|2.575729|3.246353|6.052852|3.410254|6.180417|3.767055|0.103340|3.059080|3.054549|3.670416|6.760218|5.096773|47.328067|13.660968|8.399721|8.946221|17.756292|8.880192|5.623431|4.957061|5.640326|4.081970|0.040096|0.036710|0.037959|0.040521|0.043131|0.042339|0.048027|0.052155|0.075481|0.064384|0.065972|0.059756|0.066759|0.067982|0.093688|0.096529|0.081851|0.074072|0.073587|0.082775|0.097905|0.095701|0.179768|0.132652|0.500000| |1.342157|1.466740|1.614541|1.606138|1.734043|1.922134|1.939262|1.762482|15.751672|2.301027|2.859021|3.443277|2.444506|2.701079|0.073185|2.450129|2.768393|3.477628|5.948090|2.781034|4.891718|2.938083|0.085220|2.425598|2.401648|2.674510|4.568379|3.446014|27.854582|6.950922|5.823033|5.667625|8.942166|17.718086|8.921175|5.649702|4.953510|6.987548|0.037735|0.035192|0.036361|0.039653|0.041438|0.041558|0.047107|0.048452|0.067781|0.059937|0.065147|0.060814|0.072461|0.075260|0.098106|0.112271|0.063814|0.061586|0.058988|0.067672|0.070020|0.071544|0.116543|0.087746|0.215005|0.500000| |1.220654|1.307292|1.447759|1.484916|1.636693|1.785884|1.725173|1.547864|13.684306|2.146607|2.742651|3.361628|2.629653|2.938500|0.073948|2.957602|3.492286|4.361291|6.478977|2.615494|4.250529|3.028625|0.096075|2.630865|2.817344|3.012759|4.931353|3.247843|27.895095|5.708624|6.764362|5.662214|4.952902|5.654237|8.889197|17.703990|8.967270|7.023383|0.034285|0.031892|0.033729|0.035470|0.036115|0.038852|0.045825|0.041635|0.077603|0.064625|0.083796|0.071079|0.100541|0.087226|0.149416|0.126798|0.065393|0.068479|0.068853|0.086588|0.073175|0.085695|0.098588|0.077562|0.107578|0.124116|0.500000| |1.268831|1.346693|1.498102|1.523283|1.683943|1.870935|1.827942|1.624833|14.959924|2.341969|2.906366|3.798660|2.910081|3.021983|0.074061|2.912369|3.131880|3.935975|6.625047|3.119846|5.019052|3.965186|0.124803|3.505081|4.085661|4.726518|8.127425|4.513210|47.377618|8.060629|12.300261|8.903110|5.640270|4.955728|5.620649|8.923723|17.745343|4.093306|0.036044|0.033024|0.035011|0.036109|0.037241|0.039514|0.046706|0.043940|0.089904|0.070361|0.085661|0.069480|0.086875|0.076519|0.135305|0.105492|0.085250|0.087094|0.096036|0.127939|0.106989|0.141025|0.128934|0.103577|0.124241|0.107573|0.215702|0.500000| |1.153793|1.245487|1.359915|1.382179|1.494725|1.609771|1.576978|1.444761|12.288340|1.856650|2.397054|2.775919|2.096773|2.359058|0.062790|2.329202|2.755824|3.249818|5.005861|2.137689|3.621775|2.311545|0.069709|2.015045|2.071571|2.225614|3.564879|2.512200|20.852184|4.773909|4.925184|3.992714|4.360753|6.031578|8.865090|6.555609|4.556143|17.540884|0.032195|0.030397|0.031666|0.034065|0.034721|0.036396|0.041571|0.039209|0.059256|0.052660|0.063168|0.058299|0.077418|0.074417|0.096697|0.102932|0.052026|0.052791|0.051935|0.060763|0.056944|0.062154|0.078084|0.063182|0.101187|0.157821|0.182063|0.106854|0.500000| |1.250268|1.358177|1.498906|1.540007|1.686339|1.818622|1.754874|1.589561|13.613594|2.109727|2.744416|3.177399|2.454505|2.880601|0.076394|2.885232|3.622357|4.383448|6.271680|2.396942|3.978315|2.573343|0.079745|2.197619|2.218488|2.318488|3.747199|2.707082|20.728069|4.671971|4.780174|3.975331|4.243538|5.761657|8.843169|6.898793|4.654312|17.557341|0.034767|0.032763|0.034437|0.037227|0.037641|0.040470|0.047240|0.042682|0.068793|0.061113|0.076845|0.071095|0.102017|0.098080|0.129332|0.147521|0.055927|0.058203|0.055051|0.065932|0.058648|0.063669|0.085031|0.066749|0.097932|0.147494|0.200959|0.109862|0.302281|0.500000| 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