Version2.1 2021-01-08T20:01:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)Nc3cccc(c3)S(=O)(=O)NC4=[NH+]CCC4 C09824377 RHF 6-31G(d) (6D,7F) C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)Nc3cccc(c3)S(=O)(=O)NC4=[NH+]CCC4 C01[X(C21H28N5O5S1)] 174 C1 540 O=C(CN1C(=O)N[C@@]2(C1=O)CCCC[C@H]2C)Nc1cccc(c1)S(=O)(=O)NC1=[NH+]CCC1 O=C(CN1C(=O)N[C@@]2(C1=O)CCCC[C@H]2C)Nc1cccc(c1)S(=O)(=O)NC1=[NH+]CCC1 C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc3cccc(c3)[S](=O)(=O)NC4=[NH+]CCC4)C2=O InChIKey=SPXTZGMKCMVFMH-SZNDQCEHSA-O InChI=1S/C21H27N5O5S/c1-14-6-2-3-10-21(14)19(28)26(20(29)24-21)13-18(27)23-15-7-4-8-16(12-15)32(30,31)25-17-9-5-11-22-17/h4,7-8,12,14H,2-3,5-6,9-11,13H2,1H3,(H,22,25)(H,23,27)(H,24,29)/p+1/t14-,21+/m1/s1 InChI=1/C21H27N5O5S/c1-14-6-2-3-10-21(14)19(28)26(20(29)24-21)13-18(27)23-15-7-4-8-16(12-15)32(30,31)25-17-9-5-11-22-17/h4,7-8,12,14H,2-3,5-6,9-11,13H2,1H3,(H,22,25)(H,23,27)(H,24,29)/p+1/t14-,21+/m1/s1/fC21H28N5O5S/h22-25H/q+1 C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)Nc3cccc(c3)S(=O)(=O)NC4=[NH+]CCC4 C01[X(C21H28N5O5S1)] 174 C01 540 O=C(CN1C(=O)N[C@@]2(C1=O)CCCC[C@H]2C)Nc1cccc(c1)S(=O)(=O)NC1=[NH+]CCC1 O=C(CN1C(=O)N[C@@]2(C1=O)CCCC[C@H]2C)N[C]1[CH][CH][CH][C]([CH]1)[S@]([O])(=O)[NH][C]1[NH]CCC1 C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C]3[CH][CH][CH][C]([CH]3)[S]([O])(=O)N[C]4CCCN4)C2=O InChIKey=DHZUNZFZRIUDMF-SZNDQCEHSA-N InChI=1S/C21H28N5O5S/c1-14-6-2-3-10-21(14)19(28)26(20(29)24-21)13-18(27)23-15-7-4-8-16(12-15)32(30,31)25-17-9-5-11-22-17/h4,7-8,12,14H,2-3,5-6,9-11,13H2,1H3,(H,23,27)(H,24,29)(H2,22,25,30,31)/t14-,21+/m1/s1 InChI=1/C21H28N5O5S/c1-14-6-2-3-10-21(14)19(28)26(20(29)24-21)13-18(27)23-15-7-4-8-16(12-15)32(30,31)25-17-9-5-11-22-17/h4,7-8,12,14H,2-3,5-6,9-11,13H2,1H3,(H,23,27)(H,24,29)(H2,22,25,30,31)/t14-,21+/m1/s1/f/h22-25H 3444.4805699697 -1855.443219 1-A 23975.6806 122 418 540 |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| -92.36979 -20.71470 -20.70666 -20.62946 -20.62000 -20.60964 -15.79906 -15.79086 -15.70215 -15.68960 -15.66345 -11.55062 -11.46261 -11.45231 -11.43433 -11.42938 -11.41480 -11.40602 -11.40248 -11.38965 -11.37733 -11.37545 -11.36840 -11.35919 -11.35915 -11.35783 -11.30025 -11.29402 -11.28573 -11.28481 -11.27968 -11.27228 -9.34107 -7.02745 -7.02714 -7.02535 -1.64017 -1.51995 -1.51254 -1.51018 -1.49838 -1.47729 -1.41395 -1.37979 -1.36578 -1.30582 -1.28856 -1.23626 -1.18892 -1.18650 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0.8321 0.4956 0.7898 0.5699 0.8277 0.7375 0.4831 0.3304 0.3731 0.6527 0.2599 0.2469 0.3697 298.150 1.00000 1 2 3 4 5 6 7 8 9 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 6 6 1 6 6 6 6 6 6 8 7 6 8 7 6 6 8 7 6 6 6 6 6 6 16 8 8 7 6 7 1 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 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 14.00307 1.00783 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 7251.0562 38153.7112 41547.0186 1.00000 -0.00057 0.00230 0.00059 0.99996 -0.00867 -0.00230 0.00867 0.99996 1 0.01195 0.00227 0.00208 0.24889 0.04730 0.04344 5.26 17.27 22.34 30.98 40.38 66.30 81.79 92.02 102.41 133.44 149.76 167.34 177.07 237.25 249.03 262.11 265.47 276.55 298.20 327.32 347.98 373.19 384.07 403.16 417.43 447.50 454.82 474.42 477.37 504.02 534.17 543.65 571.76 577.48 634.74 643.66 671.38 691.21 730.72 772.16 782.12 816.18 830.33 843.97 877.92 888.12 898.88 941.74 960.18 977.23 1016.47 1022.88 1069.70 1096.71 1116.07 1133.12 1147.75 1174.06 1209.16 1237.01 1250.24 1262.28 1284.27 1294.26 1298.09 1303.15 1354.13 1389.32 1395.07 1402.46 1414.01 1425.29 1459.53 1459.64 1461.84 1513.17 1539.77 1541.35 1547.26 1552.35 1560.00 1566.07 1594.11 1627.89 1651.86 1658.08 1697.63 1714.27 1724.78 1744.19 1745.27 1758.41 1805.91 1813.94 1831.76 1852.22 1859.61 1874.23 1893.35 1902.39 1927.22 1931.16 1969.32 1973.08 1977.85 2010.40 2025.01 2037.59 2051.32 2107.90 2109.05 2117.48 2139.67 2141.48 2148.90 2163.48 2169.55 2179.72 2195.66 2202.44 2211.92 2234.67 2252.38 2257.56 2269.32 2269.48 2314.21 2321.14 2339.69 2347.05 2358.27 2360.18 2365.43 2367.21 2374.93 2383.51 2387.61 2406.79 2461.56 2470.29 2560.29 2586.45 2652.63 2839.97 2873.97 2938.92 4567.58 4587.46 4605.43 4622.60 4631.11 4637.74 4657.98 4666.38 4672.97 4677.48 4693.17 4702.57 4703.92 4706.32 4713.26 4725.30 4752.11 4778.26 4786.20 4805.33 4885.86 4888.36 4916.29 4963.65 5460.89 5469.90 5570.11 5633.37 0.533585 0.561862 0.562806 0.468321 -1854.909634 -1854.881357 -1854.880413 -1854.974898 3.169042D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)Nc3cccc(c3)S(=O)(=O)NC4=[NH+]CCC4 C09824377 RHF 6-31G(d) (6D,10F) C1 462.181116 |X|Y|Z| 55.449836 35.156840 140.231040 64.901004 26 6 7 16 20 5 1 |36.858105| |12.446333|36.858105| |8.924523|17.533313|0.500000| |7.523888|12.403303|0.247443|36.858105| |4.878897|7.464258|0.191157|12.451823|36.858105| |4.317542|6.388998|0.160209|7.545893|12.458826|36.858105| |4.853612|7.489543|0.194023|6.477018|7.552525|12.454713|36.858105| |7.402478|12.306330|0.250674|7.520551|6.407515|7.482233|12.372255|36.858105| |6.273923|7.523973|0.196643|4.900712|4.364300|4.915097|7.622112|12.469993|36.858105| |5.338291|6.208219|0.189935|4.245825|3.925235|4.248390|6.244756|7.820991|16.042247|73.516695| |5.320340|5.512370|0.136209|4.050755|3.593721|4.092543|5.631047|8.164506|13.877114|14.843378|53.358707| |5.345414|5.494224|0.125391|4.361707|3.792048|4.391913|5.564976|8.103468|8.314422|9.870555|18.683477|36.858105| |4.295379|4.190606|0.098658|3.581070|3.165608|3.598619|4.220680|5.412787|5.554979|7.502013|11.354508|15.887325|73.516695| |6.358959|7.578675|0.156150|6.078957|5.112571|6.098811|7.658691|13.041993|8.308990|9.797488|11.834087|14.182024|14.721670|53.358707| |4.115060|4.016282|0.104814|3.135106|2.840854|3.153680|4.057837|5.101786|7.628695|11.627336|18.082610|7.720827|11.999735|7.282702|36.858105| |4.099422|3.646993|0.094061|2.909671|2.556612|2.722869|3.295770|4.189825|5.472499|8.651871|10.668920|6.290061|11.170801|6.204144|12.495733|36.858105| |4.817270|3.952886|0.101740|3.096473|2.634345|2.712343|3.230395|4.231365|5.342110|8.596530|9.149802|5.663834|9.604467|6.078824|7.999288|15.979595|73.516695| |3.223124|2.926148|0.075942|2.453675|2.202345|2.354302|2.759857|3.317473|4.032536|6.545952|7.347325|4.895628|9.695729|5.014360|7.822453|13.901452|14.990472|53.358707| |2.908259|2.580726|0.067014|2.222378|1.984336|2.080148|2.362764|2.803965|3.233390|5.324180|5.480625|3.889236|7.807233|4.234222|5.045582|7.773797|11.984061|18.486652|36.858105| |2.884302|2.494209|0.065580|2.148079|1.901264|1.950434|2.196032|2.608094|2.987539|5.050326|4.793712|3.345008|6.381844|3.815616|4.224949|6.282168|11.689780|10.598606|13.658535|36.858105| |2.506102|2.177373|0.057387|1.924264|1.711971|1.741015|1.919532|2.237485|2.481091|4.214758|3.864186|2.774654|5.315546|3.270442|3.246366|4.349220|8.152560|6.994801|7.894870|13.768966|36.858105| |2.251986|1.992946|0.052224|1.794485|1.612068|1.650552|1.799055|2.066914|2.248572|3.783040|3.517027|2.596420|5.101375|3.069944|2.910232|3.718346|6.652031|6.162742|6.790866|7.909611|13.764184|36.858105| |2.269471|2.040904|0.053056|1.840522|1.664396|1.729647|1.890878|2.165464|2.354544|3.904662|3.775609|2.836257|5.765967|3.283653|3.154429|3.991763|6.745508|7.070656|7.968150|6.951285|8.037947|13.753952|36.858105| |2.534238|2.292010|0.059251|2.031649|1.835745|1.934063|2.152618|2.493920|2.770545|4.534418|4.622637|3.453063|7.211400|3.834894|4.021877|5.306622|8.336880|10.809270|13.757726|7.945720|6.866354|7.834955|13.715383|36.858105| |1.955815|1.794527|0.046659|1.655910|1.518025|1.583046|1.701357|1.905479|2.023274|3.354017|3.191418|2.448444|4.998628|2.900963|2.584526|3.047535|5.131133|5.092731|4.777024|4.243422|4.777431|7.020337|10.890413|7.063164|388.023441| |1.892520|1.769862|0.046036|1.636383|1.518094|1.604648|1.728707|1.912681|2.033556|3.361472|3.233581|2.489252|5.142221|2.928068|2.632555|2.998679|4.886192|5.070416|4.419876|3.699372|3.842650|4.959253|7.315243|6.490183|95.727270|73.516695| |1.759947|1.614989|0.042346|1.500069|1.379826|1.426286|1.522626|1.691245|1.789126|3.003929|2.761244|2.093241|4.164860|2.531009|2.218307|2.581311|4.442226|4.165412|3.812641|3.671577|4.377725|6.401365|7.267426|4.945579|94.993991|13.583439|73.516695| |2.032705|1.853797|0.047624|1.736658|1.580413|1.639061|1.734845|1.951029|2.018578|3.301116|3.166836|2.512043|5.191036|3.021900|2.469023|2.882972|4.970468|4.567128|4.092850|3.705582|4.088052|5.453100|7.002706|5.484264|78.655280|13.638490|13.687362|53.358707| |1.885547|1.718518|0.044275|1.631223|1.485971|1.525886|1.595119|1.781314|1.819772|2.993734|2.797265|2.216360|4.482261|2.731561|2.144269|2.465568|4.340604|3.769510|3.286870|3.128030|3.519665|4.503895|5.023476|4.049196|49.167264|9.376370|11.678346|19.509813|36.858105| |1.714983|1.566294|0.040719|1.488835|1.362602|1.391966|1.453287|1.611400|1.652234|2.749574|2.507583|1.954514|3.876911|2.430761|1.930372|2.206417|3.909635|3.353278|2.916015|2.866985|3.316394|4.242815|4.405622|3.488029|42.302673|8.069152|12.453635|11.048810|14.768381|53.358707| |1.665029|1.523256|0.039821|1.438945|1.320763|1.351194|1.418968|1.570539|1.626110|2.723683|2.467932|1.899428|3.748321|2.351094|1.923185|2.204385|3.889030|3.389602|2.980599|2.956980|3.492153|4.603658|4.693326|3.586809|46.741707|8.554426|16.804143|9.845969|9.482499|25.875911|0.500000| |1.607800|1.471529|0.038307|1.415679|1.297943|1.316237|1.359510|1.498246|1.518374|2.532851|2.272549|1.775797|3.479059|2.247323|1.723537|1.942188|3.478040|2.878930|2.436980|2.428665|2.762242|3.321129|3.340628|2.794742|29.034885|6.036863|8.179198|7.183708|8.214925|17.612738|0.240990|36.858105| |1.667668|1.532142|0.039583|1.488791|1.364519|1.385755|1.419243|1.562362|1.562448|2.583201|2.340868|1.860965|3.673395|2.370700|1.749486|1.952415|3.489325|2.862990|2.376838|2.321082|2.554358|2.991289|3.111837|2.717014|26.560709|5.801874|6.807191|7.108387|8.013285|11.056192|0.159949|12.406430|36.858105| |1.897876|1.732032|0.044337|1.670850|1.519069|1.551517|1.598644|1.780695|1.782681|2.914978|2.712940|2.187474|4.408069|2.748570|2.028190|2.293352|4.081243|3.393808|2.850337|2.723333|2.966903|3.527653|3.817904|3.339144|32.732126|7.019151|7.685271|10.455384|12.642797|11.244151|0.162129|7.851033|12.382147|36.858105| |17.556818|8.751701|0.173483|6.830959|4.508046|4.117272|4.441904|6.596615|5.461079|7.948932|7.062496|5.815698|8.630344|9.399330|4.038310|4.171024|8.665135|4.552847|3.067312|3.005177|2.629106|2.390375|2.428010|2.710037|14.917619|3.594119|3.328254|3.025907|2.060896|2.522601|0.049573|1.737244|1.820116|2.096416|0.500000| |17.566404|8.709254|0.211416|5.457850|4.029016|3.774314|4.478113|6.752682|7.072707|11.080596|8.271653|5.519738|7.878731|7.932246|4.848214|4.963856|11.050667|5.041796|3.286215|3.300156|2.789790|2.448800|2.450840|2.769059|14.684823|3.538334|3.295622|2.871871|1.938411|2.404925|0.047989|1.640592|1.683588|1.920307|0.301551|0.500000| |17.560508|8.846898|0.216021|6.890955|4.555449|3.809327|4.059094|5.441404|4.776646|7.818676|5.602151|4.102516|6.182705|6.449674|3.396653|3.449791|7.218832|3.825063|2.606510|2.647373|2.353198|2.113753|2.097991|2.294147|12.958225|3.112355|2.954171|2.583397|1.783920|2.229430|0.044177|1.550296|1.603528|1.804163|0.302093|0.302623|0.500000| |6.898449|8.817202|0.174001|17.475828|8.834623|6.753706|5.649178|6.738929|4.489701|6.702738|5.436715|4.617404|6.918896|8.996926|3.098590|2.929148|5.515106|3.405220|2.286078|2.190697|1.972968|1.857883|1.918452|2.115264|12.351457|3.050635|2.782740|2.515932|1.738402|2.142852|0.041992|1.499521|1.592388|1.799437|0.205528|0.140473|0.170704|0.500000| |6.994738|8.873612|0.214735|17.548222|8.828662|5.498674|4.859051|5.494394|4.081153|6.610668|4.687341|3.618059|5.471427|6.317388|2.784565|2.654972|5.110481|3.078791|2.084972|2.050958|1.858270|1.727671|1.750978|1.907378|11.216127|2.749003|2.563522|2.254523|1.569889|1.963445|0.038732|1.380761|1.448064|1.612402|0.172639|0.141937|0.210881|0.304617|0.500000| |4.065674|5.463586|0.140585|8.828380|17.548881|8.821052|5.498287|4.817877|3.527527|5.707328|4.147027|3.271444|5.040367|5.778823|2.481927|2.274811|4.161585|2.719192|1.825647|1.753383|1.597971|1.517039|1.565277|1.709756|10.265132|2.566025|2.343215|2.060102|1.434085|1.793325|0.035371|1.263735|1.334786|1.477823|0.108684|0.094414|0.109214|0.215282|0.211877|0.500000| |4.513323|6.724760|0.202622|8.859526|17.514391|8.863944|6.797097|5.627256|4.186541|7.095468|4.567514|3.374291|5.033965|5.847854|2.716097|2.436680|4.478124|2.855944|1.890943|1.828169|1.647205|1.542744|1.582393|1.739627|10.237681|2.556138|2.340322|2.021394|1.398320|1.756959|0.034909|1.230006|1.284167|1.420807|0.110904|0.107180|0.121240|0.173677|0.215487|0.303553|0.500000| |4.108959|5.592375|0.132399|6.750777|8.833642|17.496253|8.824756|6.712459|4.503224|6.708564|5.496503|4.656763|6.962699|9.036163|3.118513|2.728678|4.794881|3.254409|2.123773|1.971279|1.766614|1.691019|1.786992|1.999708|11.723765|2.982056|2.626323|2.348642|1.605565|1.980167|0.039036|1.376391|1.461270|1.644794|0.115173|0.099465|0.099899|0.197247|0.138855|0.214976|0.173711|0.500000| |3.503192|4.810604|0.129092|5.493861|8.810059|17.556743|8.872240|5.479263|4.103506|6.629255|4.754755|3.652040|5.510424|6.345211|2.810855|2.425559|4.256743|2.906243|1.895744|1.779798|1.599628|1.523914|1.597008|1.776041|10.486026|2.670666|2.374389|2.067834|1.418902|1.771019|0.035164|1.233499|1.296407|1.440801|0.092773|0.087680|0.088459|0.138751|0.123293|0.210757|0.215344|0.304400|0.500000| |4.037446|5.475938|0.142562|4.849269|5.493162|8.799607|17.546696|8.838631|7.017891|10.242856|7.900485|5.755026|7.924263|9.739457|4.269515|3.339809|5.609340|3.876902|2.405085|2.194993|1.913603|1.808350|1.923977|2.210589|12.383252|3.185499|2.755309|2.401779|1.611647|1.994097|0.039805|1.363994|1.424308|1.607507|0.106511|0.107592|0.094684|0.126323|0.106888|0.123165|0.139510|0.213864|0.212532|0.500000| |4.528993|6.823715|0.209080|5.722178|6.820365|8.842868|17.557322|8.913946|7.127697|12.201147|6.782439|4.546514|6.344385|7.655769|3.811780|3.104308|5.459326|3.540157|2.235130|2.106891|1.844723|1.717138|1.787767|2.022108|11.409167|2.889072|2.573699|2.205822|1.495284|1.869185|0.037416|1.286618|1.333688|1.490947|0.110275|0.119534|0.109229|0.131606|0.128125|0.139663|0.200753|0.173400|0.214907|0.302684|0.500000| |5.636252|6.518044|0.135337|6.220688|5.247302|6.180638|6.497490|8.691965|5.832089|7.678970|8.273075|9.350305|12.958509|26.103472|4.287350|3.860987|6.799581|4.455935|2.863045|2.592624|2.271380|2.164469|2.319377|2.664220|14.852191|3.747678|3.246284|3.020101|2.023993|2.441225|0.047822|1.671083|1.783661|2.070209|0.181713|0.136556|0.123171|0.211869|0.131483|0.126549|0.117134|0.209694|0.130708|0.169387|0.134443|0.500000| |3.437508|3.449557|0.090094|2.822522|2.631235|2.986088|3.765127|4.409806|5.925889|9.220872|12.524112|6.859075|11.905259|6.544275|17.607206|8.762183|10.410961|10.294824|4.876972|3.898083|3.071209|2.844071|3.176407|4.119076|18.924545|4.964010|4.018447|3.419631|2.161047|2.640280|0.053796|1.722833|1.752148|2.032951|0.095562|0.107301|0.080639|0.078440|0.069629|0.064756|0.069609|0.083324|0.075315|0.115047|0.097350|0.111198|0.500000| |3.895832|3.859784|0.105673|2.990623|2.749788|3.014140|3.913713|4.727140|7.429271|13.538277|12.711527|5.717897|8.770971|6.144781|17.616329|8.964559|12.291950|8.513615|4.380736|3.904511|3.041927|2.690403|2.842845|3.501847|16.678210|4.224277|3.653933|3.018113|1.951348|2.426046|0.049626|1.601670|1.613162|1.843555|0.101839|0.129678|0.091558|0.080006|0.074824|0.066499|0.074834|0.080649|0.075756|0.112948|0.107246|0.102287|0.300899|0.500000| |2.950885|2.771665|0.071959|2.359514|2.158118|2.349910|2.755047|3.222892|3.873475|6.251657|7.134207|4.863967|9.984818|4.936028|7.579866|9.429911|10.926173|26.053109|9.323639|5.792468|4.292567|4.042209|4.861628|7.480573|26.596009|6.997609|5.364055|4.519373|2.717780|3.278603|0.067637|2.065228|2.066960|2.447549|0.085114|0.091834|0.071540|0.067041|0.059966|0.054562|0.056965|0.066750|0.059681|0.080814|0.071683|0.090103|0.245217|0.165524|0.500000| |3.122431|2.662778|0.070851|2.251095|1.980300|2.014914|2.291468|2.747760|3.216360|5.548200|5.049376|3.389747|6.205377|3.910638|4.473490|6.740327|13.926171|9.685182|8.921091|17.801702|8.943366|5.645750|4.999191|5.660472|24.367293|5.471383|5.435563|4.210188|2.693624|3.400451|0.071137|2.172429|2.090052|2.412135|0.088300|0.102175|0.079887|0.062921|0.059985|0.050364|0.053321|0.055908|0.050954|0.062991|0.061743|0.072806|0.109680|0.119300|0.145940|0.500000| |2.412397|2.084930|0.055450|1.850313|1.644931|1.654652|1.813900|2.103829|2.319386|3.993870|3.519035|2.508417|4.702173|3.022925|2.902651|3.760843|7.286852|5.674254|5.636196|8.958565|17.742783|8.939829|5.688633|4.950752|27.968610|5.728293|6.805120|4.755231|3.157240|4.174411|0.089842|2.631309|2.408356|2.722093|0.069589|0.074528|0.064028|0.052382|0.050168|0.042758|0.044233|0.046369|0.042340|0.049846|0.048813|0.058474|0.075536|0.077275|0.098521|0.216564|0.500000| |2.042912|1.817109|0.047807|1.656839|1.495302|1.522718|1.642543|1.866681|2.005293|3.393540|3.080695|2.284387|4.446547|2.754101|2.501893|3.082475|5.565276|4.911249|4.912779|5.629252|8.882293|17.759724|8.875667|5.598572|47.259017|8.125487|12.991312|7.250831|4.744255|6.530030|0.151358|3.708459|3.182888|3.629950|0.060110|0.061021|0.053912|0.047655|0.044611|0.039343|0.039834|0.043335|0.039241|0.045757|0.043686|0.054420|0.068122|0.065011|0.091795|0.124082|0.214227|0.500000| |2.450075|2.266062|0.058356|2.024540|1.850254|1.977965|2.199748|2.516120|2.773747|4.493371|4.689706|3.579424|7.730785|3.931907|4.052511|4.965378|7.480115|9.887688|8.901981|5.640922|4.950445|5.605666|8.888431|17.739285|47.963861|13.309480|8.155513|7.362605|3.936808|4.540471|0.094147|2.693025|2.675387|3.302540|0.072937|0.073373|0.061208|0.058827|0.052336|0.047953|0.048478|0.057269|0.050628|0.063652|0.056949|0.076295|0.121207|0.096312|0.224088|0.124180|0.107519|0.123576|0.500000| |2.172846|1.987708|0.050605|1.864528|1.693506|1.768009|1.870321|2.112173|2.169601|3.503270|3.445028|2.794601|5.922737|3.334039|2.657845|3.085557|5.264286|4.865034|4.234653|3.683354|3.855239|4.820993|6.331211|5.662606|58.391841|12.693337|10.059846|25.883339|9.563445|8.102655|0.146679|4.433794|4.759707|7.307259|0.066711|0.062309|0.055822|0.055580|0.049029|0.045014|0.043897|0.052120|0.045328|0.053025|0.048100|0.068447|0.075556|0.065274|0.099453|0.086145|0.091070|0.124493|0.164464|0.500000| |1.477014|1.362707|0.035644|1.313758|1.213213|1.232236|1.271254|1.389789|1.410205|2.364035|2.100935|1.632052|3.179887|2.071790|1.596671|1.780548|3.171537|2.639276|2.209810|2.198567|2.482466|2.953164|2.977857|2.521711|26.098179|5.616331|7.568000|5.982405|6.114858|12.374178|0.211418|17.651070|8.657483|5.748713|0.044025|0.041855|0.039633|0.038504|0.035616|0.032868|0.032034|0.035724|0.032234|0.035511|0.033526|0.042742|0.044532|0.041456|0.052955|0.055033|0.066126|0.091633|0.068132|0.104437|0.500000| |1.625710|1.476423|0.038512|1.419393|1.295122|1.303928|1.346410|1.489212|1.509595|2.526924|2.245566|1.745515|3.388529|2.219250|1.700032|1.926734|3.494582|2.828800|2.403589|2.452411|2.830863|3.348312|3.226682|2.695401|26.375425|5.421936|7.459764|6.246995|6.505041|12.388245|0.200681|17.608350|8.666349|6.379434|0.048728|0.046130|0.043831|0.041668|0.038673|0.035022|0.034172|0.037733|0.033894|0.037319|0.035505|0.045751|0.046787|0.044090|0.055739|0.061379|0.076452|0.105774|0.070859|0.109109|0.300783|0.500000| |1.566853|1.455455|0.037672|1.419943|1.312593|1.339790|1.368393|1.492928|1.490492|2.466534|2.230238|1.773640|3.501934|2.264288|1.665923|1.835064|3.248281|2.694731|2.206077|2.128304|2.308993|2.686146|2.845241|2.528564|24.776310|5.655312|6.327773|6.362680|6.541641|9.000540|0.141000|8.818930|17.606495|8.813956|0.047309|0.043836|0.041782|0.042156|0.038268|0.035757|0.034320|0.039318|0.034979|0.038322|0.035714|0.047418|0.046709|0.042729|0.054656|0.053469|0.060339|0.078609|0.070460|0.121157|0.223339|0.174799|0.500000| 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