Version2.3 2021-03-31T01:28:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc(cc1)NC(=O)c2c(cc(nc2SCC(=O)Nc3ccc(cc3C)C)C)C C09250245 RHF 6-31G(d) (6D,7F) CCc1ccc(cc1)NC(=O)c2c(cc(nc2SCC(=O)Nc3ccc(cc3C)C)C)C C01[X(C26H29N3O2S1)] 177 C1 542 CCc1ccc(cc1)NC(=O)c1c(C)cc(nc1SCC(=O)Nc1ccc(cc1C)C)C CCc1ccc(cc1)NC(=O)c1c(C)cc(nc1SCC(=O)Nc1ccc(cc1C)C)C CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc3ccc(C)cc3C)cc1 InChIKey=DDEKLJWCWIEBBK-UHFFFAOYSA-N InChI=1S/C26H29N3O2S/c1-6-20-8-10-21(11-9-20)28-25(31)24-18(4)14-19(5)27-26(24)32-15-23(30)29-22-12-7-16(2)13-17(22)3/h7-14H,6,15H2,1-5H3,(H,28,31)(H,29,30) InChI=1/C26H29N3O2S/c1-6-20-8-10-21(11-9-20)28-25(31)24-18(4)14-19(5)27-26(24)32-15-23(30)29-22-12-7-16(2)13-17(22)3/h7-14H,6,15H2,1-5H3,(H,28,31)(H,29,30)/f/h28-29H CCc1ccc(cc1)NC(=O)c2c(cc(nc2SCC(=O)Nc3ccc(cc3C)C)C)C C01[X(C26H29N3O2S1)] 177 C01 542 CCc1ccc(cc1)NC(=O)c1c(C)cc(nc1SCC(=O)Nc1ccc(cc1C)C)C CC[C]1[CH][CH][C]([CH][CH]1)NC(=O)[C]1[C]([CH][C]([N][C]1SCC(=O)N[C]1[CH][CH][C]([CH][C]1C)C)C)C CC[C]1[CH][CH][C]([CH][CH]1)NC(=O)[C]2[C](C)[CH][C](C)[N][C]2SCC(=O)N[C]3[CH][CH][C](C)[CH][C]3C InChIKey=DDEKLJWCWIEBBK-UHFFFAOYSA-N InChI=1S/C26H29N3O2S/c1-6-20-8-10-21(11-9-20)28-25(31)24-18(4)14-19(5)27-26(24)32-15-23(30)29-22-12-7-16(2)13-17(22)3/h7-14H,6,15H2,1-5H3,(H,28,31)(H,29,30) InChI=1/C26H29N3O2S/c1-6-20-8-10-21(11-9-20)28-25(31)24-18(4)14-19(5)27-26(24)32-15-23(30)29-22-12-7-16(2)13-17(22)3/h7-14H,6,15H2,1-5H3,(H,28,31)(H,29,30)/f/h28-29H 3111.3689166496 -1712.107143 1-A 24594.2158 119 423 542 |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| -91.95528 -20.53768 -20.53187 -15.60233 -15.60022 -15.56818 -11.36477 -11.36077 -11.32262 -11.29341 -11.27862 -11.27449 -11.27340 -11.27248 -11.25185 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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 13032.1254 31307.7027 43004.1919 0.99994 0.01073 -0.00021 -0.01073 0.99994 0.00144 0.00022 -0.00143 1.00000 1 0.00665 0.00277 0.00201 0.13848 0.05765 0.04197 12.05 15.27 21.72 27.43 31.12 48.53 51.13 63.96 66.27 79.14 94.07 113.83 121.90 137.69 153.60 181.36 205.17 217.88 239.74 253.56 275.56 290.68 319.91 322.63 335.62 345.66 356.05 409.00 427.39 447.84 461.05 474.67 492.58 520.43 558.82 583.99 645.22 659.99 681.29 690.28 707.12 716.75 744.99 758.42 790.57 820.01 847.10 856.68 876.19 885.50 889.61 906.99 937.36 948.97 991.13 1014.68 1084.11 1130.02 1142.52 1147.49 1165.55 1184.62 1224.78 1235.80 1257.34 1309.38 1337.39 1342.69 1356.94 1363.38 1376.63 1386.16 1415.98 1431.30 1451.09 1468.10 1497.26 1512.23 1522.48 1547.36 1570.62 1577.87 1587.79 1592.39 1605.83 1607.80 1611.90 1656.78 1680.45 1680.96 1686.69 1686.79 1704.10 1720.41 1739.62 1767.53 1798.25 1802.92 1849.14 1866.74 1871.42 1883.41 1888.17 1891.15 1910.07 1950.04 1969.72 2004.08 2012.48 2016.32 2052.07 2071.26 2120.56 2135.21 2155.20 2169.55 2244.75 2247.97 2249.74 2254.26 2255.65 2261.47 2267.55 2303.95 2311.01 2336.28 2340.60 2351.38 2352.73 2353.39 2354.14 2355.03 2360.28 2360.88 2361.58 2379.11 2411.65 2436.12 2463.16 2471.64 2522.80 2569.45 2578.83 2584.28 2624.16 2624.34 2806.25 2839.05 4582.42 4603.58 4605.92 4616.16 4627.99 4644.82 4657.31 4664.23 4684.78 4695.21 4700.82 4708.87 4715.28 4715.77 4734.05 4739.00 4742.69 4763.09 4773.42 4813.99 4820.77 4824.10 4833.09 4842.61 4871.26 4944.08 4976.37 5576.79 5589.68 0.537113 0.568342 0.569286 0.466273 -1711.570030 -1711.538801 -1711.537857 -1711.640870 3.455073D-04 MUNgauss RevisionA2.1 retrievium 31-Mar-2021 DUDE CCc1ccc(cc1)NC(=O)c2c(cc(nc2SCC(=O)Nc3ccc(cc3C)C)C)C C09250245 RHF 6-31G(d) (6D,10F) C1 447.198049 |X|Y|Z| 84.032011 130.320515 23.438730 63.552192 24 6 7 16 20 3 1 |36.858105| |12.423084|36.858105| |7.498207|12.584273|36.858105| |5.652447|7.527377|13.708325|36.858105| |4.155395|5.005340|7.889206|13.792739|36.858105| |3.732620|4.406769|6.781007|7.914765|13.703583|36.858105| |4.141188|4.990263|7.842490|6.882998|7.953188|13.719097|36.858105| |5.635142|7.527667|13.727687|8.028137|6.939752|7.951996|13.746672|36.858105| |2.947866|3.322509|4.513773|5.189065|7.964353|13.480625|7.708866|5.123924|53.358707| |2.549762|2.839511|3.654561|3.904742|5.179123|7.635159|6.241352|4.303566|19.120431|36.858105| |2.542029|2.839933|3.602250|3.618758|4.466607|6.523668|6.538075|4.482191|11.466049|15.888039|73.516695| |2.157941|2.352590|2.892347|3.138691|4.007822|5.026914|4.199556|3.228327|10.730853|12.609269|14.345910|36.858105| |1.974281|2.102417|2.517781|2.668470|3.255453|3.957520|3.532824|2.813496|7.429106|7.621620|11.351510|13.665950|36.858105| |1.741980|1.841419|2.154999|2.293561|2.732818|3.148716|2.829158|2.348898|5.553893|5.055507|7.876253|7.979650|13.710131|36.858105| |1.668805|1.777429|2.069559|2.235574|2.664579|2.976259|2.624859|2.212141|5.194908|4.490898|6.853313|6.972699|7.951730|13.805722|36.858105| |1.768836|1.912377|2.250870|2.473866|3.006137|3.332060|2.850840|2.386213|5.951112|5.037708|7.338506|7.972641|6.872862|8.052043|14.359925|53.358707| |2.001587|2.195351|2.653721|2.944063|3.719647|4.291888|3.534984|2.851614|8.354937|7.424189|9.740904|13.592471|7.961795|7.053423|8.351691|19.710166|36.858105| |2.125574|2.397588|2.918066|3.341469|4.271486|4.624207|3.677888|3.037829|8.235756|6.076194|8.413047|6.895406|4.708972|4.247298|4.876219|9.759841|10.673025|388.023441| |1.798280|1.995208|2.327378|2.623741|3.139557|3.234339|2.730095|2.373386|5.276020|3.943031|5.956189|4.645054|3.716752|3.736562|4.677417|9.336038|6.906150|74.887540|36.858105| |1.780285|1.992875|2.287267|2.589437|3.002871|2.967912|2.540887|2.279098|4.538488|3.258720|5.090662|3.535778|2.917385|2.885613|3.405554|6.034826|4.602733|49.690609|12.517169|36.858105| |1.937988|2.203043|2.537328|2.918317|3.366324|3.224912|2.736350|2.483962|4.759413|3.288861|5.152868|3.381216|2.759172|2.649379|3.007807|5.177607|4.176957|47.147771|7.966404|15.935916|73.516695| |1.584719|1.753649|1.971387|2.193920|2.476478|2.450026|2.154385|1.963216|3.687500|2.690334|4.309165|2.939160|2.537417|2.580369|3.058547|5.159314|3.696974|34.164748|7.940344|14.003638|14.958347|53.358707| |1.504190|1.661811|1.835023|2.029582|2.232169|2.173425|1.941442|1.806242|3.175067|2.290515|3.733781|2.434270|2.141300|2.164967|2.493015|4.025871|2.919494|26.010501|5.043988|7.660326|11.691111|18.280790|36.858105| |1.550220|1.730243|1.895081|2.085808|2.255245|2.176317|1.963978|1.851864|3.102967|2.219406|3.663430|2.288977|2.004620|1.988645|2.234523|3.569555|2.671903|24.163031|4.226627|6.259504|11.488516|10.600060|13.727237|36.858105| |1.447604|1.604963|1.727830|1.884140|1.997104|1.916198|1.753481|1.678015|2.691771|1.921477|3.206928|1.965181|1.750562|1.739648|1.928895|3.006452|2.239572|19.450878|3.245456|4.328906|8.017091|6.995854|7.936960|13.784468|36.858105| |1.329443|1.455777|1.558947|1.695375|1.794686|1.725820|1.583334|1.515925|2.436646|1.746069|2.914653|1.805662|1.632802|1.642678|1.826335|2.807060|2.051766|17.240203|2.906542|3.686584|6.519658|6.150292|6.808381|7.893225|13.725710|36.858105| |1.301511|1.416135|1.527287|1.667363|1.786184|1.727694|1.574289|1.493006|2.476321|1.784049|2.956078|1.878909|1.707757|1.741600|1.964231|3.021824|2.163691|17.934490|3.149593|3.942352|6.589382|7.040063|7.966034|6.926928|8.020600|13.736128|36.858105| |1.373337|1.498184|1.637211|1.800403|1.961926|1.909199|1.719325|1.609533|2.783028|2.013111|3.298554|2.154884|1.940926|1.992246|2.291435|3.596794|2.545041|21.400420|4.018432|5.220468|8.123635|10.717256|13.660203|7.905742|6.855447|7.829496|13.715840|36.858105| |1.314702|1.419736|1.555692|1.709295|1.876836|1.841832|1.655328|1.538673|2.724761|1.987762|3.240670|2.177077|1.992743|2.091270|2.446943|3.795003|2.590423|20.817346|3.995631|4.657638|6.937476|9.051882|7.511188|5.004574|4.439808|5.002144|7.576322|12.597993|36.858105| |1.240646|1.350435|1.427668|1.539487|1.607295|1.542596|1.430600|1.383938|2.155120|1.543078|2.597539|1.583070|1.446819|1.453401|1.595699|2.412751|1.766921|14.532103|2.363959|2.863394|5.136458|4.527667|4.421159|5.011737|7.545686|12.607578|7.543839|4.991040|3.783292|36.858105| |1.481398|1.565367|1.787097|1.920997|2.231258|2.422339|2.175526|1.885282|4.016048|3.315415|5.272566|4.496805|5.021733|7.544961|12.653419|10.782651|5.247297|26.873025|4.039163|3.086389|4.778520|3.979495|2.418700|2.134198|1.864396|1.798409|1.963410|2.289352|2.522563|1.577562|36.858105| |2.029778|2.127579|2.530729|2.600957|3.086139|3.813152|3.626679|2.897077|6.626743|6.505820|11.383867|7.484843|12.611360|7.600373|5.044840|6.055786|5.006338|25.526436|2.904022|2.408232|4.141792|2.898606|1.846377|1.756215|1.558620|1.457991|1.511144|1.688838|1.722221|1.308680|3.786823|36.858105| |17.550800|8.766196|6.791579|5.963455|4.375040|3.762621|3.944980|5.009719|4.087284|2.551952|4.427684|2.184469|1.998356|1.770239|1.701013|2.455947|2.036558|15.372366|1.833711|1.813875|3.510574|2.194962|1.529432|1.568037|1.463337|1.348609|1.325204|1.400458|1.345243|1.257111|1.511730|2.041251|0.500000| |17.552287|8.767849|6.793107|5.026286|3.962034|3.765415|4.361169|5.935313|4.074321|2.625912|4.723868|2.206001|2.041464|1.788776|1.693216|2.420163|2.012773|14.889334|1.763525|1.724157|3.302139|2.092249|1.450671|1.485796|1.384073|1.275086|1.254098|1.327161|1.277952|1.188730|1.498589|2.138425|0.301885|0.500000| |17.539718|8.769617|5.474647|4.419660|3.408496|3.098384|3.400040|4.411226|3.447107|2.235678|3.981629|1.925898|1.776470|1.585469|1.525593|2.193636|1.803613|13.623324|1.649811|1.645790|3.178664|2.013718|1.416388|1.465537|1.380411|1.271598|1.240342|1.299803|1.242326|1.195068|1.367423|1.824006|0.301098|0.301061|0.500000| |8.856264|17.539230|8.915420|7.118452|4.722962|3.966103|4.206700|5.676451|4.195730|2.633328|4.614690|2.226684|1.981382|1.756424|1.716918|2.531627|2.121223|16.805634|1.995411|2.028125|4.032401|2.434209|1.711368|1.797549|1.676547|1.515791|1.464854|1.541555|1.450295|1.409921|1.522698|1.974100|0.210743|0.173042|0.213086|0.500000| |8.856784|17.542415|8.917691|5.669403|4.218126|3.969279|4.718049|7.130414|4.181786|2.714134|4.950015|2.249311|2.023047|1.774388|1.708960|2.492766|2.094570|16.184433|1.906518|1.905778|3.727062|2.297230|1.603813|1.677375|1.560998|1.414230|1.371102|1.446013|1.367543|1.316026|1.509374|2.060877|0.173033|0.210795|0.213076|0.304253|0.500000| |5.536238|6.967354|8.903665|17.696847|8.976083|5.646761|4.955815|5.676589|5.744347|3.293962|5.407070|2.775486|2.392114|2.102836|2.076047|3.125338|2.674066|21.802765|2.499318|2.520698|5.095167|2.934896|2.023426|2.090797|1.906841|1.719577|1.683870|1.804801|1.706416|1.569348|1.811943|2.313957|0.172804|0.128945|0.124969|0.212433|0.143427|0.500000| |3.544756|4.088155|5.630031|8.944940|17.695941|8.901847|5.648719|4.985075|10.009230|4.865018|7.152496|4.061201|3.269252|2.804633|2.799029|4.376360|3.956274|33.485095|3.474221|3.334323|6.705942|3.687593|2.425075|2.424896|2.130431|1.917031|1.920628|2.126589|2.038940|1.703741|2.350178|2.997471|0.106160|0.093129|0.083402|0.112171|0.097202|0.217449|0.500000| |3.537495|4.083464|5.616945|4.965573|5.655442|8.914735|17.823478|8.923080|9.516528|6.783088|14.841666|4.428946|3.821001|2.994425|2.714772|3.943243|3.581158|25.238024|2.658982|2.435410|4.571953|2.838509|1.871602|1.883257|1.682268|1.525070|1.521648|1.663609|1.610865|1.379232|2.235537|4.084025|0.092872|0.105913|0.083285|0.097117|0.112195|0.107714|0.124151|0.500000| |5.519216|6.983296|8.927911|5.680015|4.984786|5.666447|8.986002|17.692936|5.654468|3.739544|7.224242|2.886448|2.584969|2.179556|2.041558|2.957238|2.550780|18.985569|2.140780|2.060945|3.955142|2.452190|1.669281|1.715562|1.567379|1.421373|1.396870|1.496812|1.432288|1.306294|1.758224|2.716634|0.128514|0.171659|0.124751|0.143888|0.213683|0.124370|0.108038|0.217251|0.500000| |2.780054|3.085472|4.063341|4.926261|7.647032|9.336902|5.751987|4.298527|26.067198|9.500319|10.898279|7.691812|5.330824|4.187059|4.065481|6.528256|6.744982|48.441342|4.303616|3.641557|6.760644|3.970094|2.484773|2.395218|2.065014|1.876124|1.922325|2.179137|2.148011|1.649447|3.137341|4.494906|0.080302|0.077284|0.066903|0.081374|0.078260|0.116861|0.234155|0.143409|0.098357|0.500000| |1.634476|1.708798|1.972503|2.075953|2.422537|2.758325|2.538831|2.146690|4.663366|4.108732|6.722883|5.656819|8.901170|17.739698|8.936379|7.787760|5.047618|24.373722|3.123790|2.502226|4.109464|3.113195|1.954710|1.801698|1.595701|1.519055|1.610489|1.823917|1.924552|1.355844|6.953652|7.054376|0.046107|0.046836|0.041550|0.045219|0.045901|0.053199|0.068584|0.074975|0.056016|0.096654|0.500000| |1.681507|1.858538|2.148320|2.367053|2.783831|2.933806|2.552504|2.221937|4.760124|3.734195|5.827996|4.492557|3.729068|3.861587|4.956546|9.700647|6.540553|56.414584|17.624675|8.839037|10.763624|9.936760|4.761899|3.984268|3.106882|2.812650|3.063675|3.890410|3.940900|2.300852|4.390091|2.905652|0.047294|0.046097|0.043057|0.051360|0.049848|0.062325|0.083210|0.070467|0.056454|0.104031|0.090087|0.500000| |1.739483|1.902419|2.206098|2.501377|2.987596|3.037629|2.554710|2.233187|4.974576|3.662180|5.485440|4.441054|3.694629|3.854410|5.002356|9.897941|6.526357|56.361939|17.615796|8.900776|11.198405|9.472886|4.676978|3.803439|3.020289|2.794998|3.104112|3.979760|4.209275|2.292868|4.469994|2.873629|0.049690|0.047443|0.044375|0.052843|0.050182|0.066815|0.093295|0.068946|0.055997|0.115908|0.089973|0.303666|0.500000| |1.502976|1.649045|1.851248|2.043978|2.310895|2.318571|2.051328|1.859868|3.536047|2.629252|4.221058|2.949978|2.595425|2.706159|3.285562|5.508015|3.749936|32.209029|7.790713|9.465649|10.886036|26.090355|9.244581|5.839421|4.309672|4.031626|4.810079|7.311730|7.472599|3.065248|3.235700|2.160375|0.042481|0.040745|0.039004|0.046402|0.044181|0.055527|0.069798|0.055717|0.047655|0.077589|0.066828|0.224674|0.204565|0.500000| |1.667748|1.885803|2.079644|2.290743|2.481373|2.395941|2.159657|2.033838|3.392047|2.417817|3.998256|2.452727|2.114795|2.065833|2.302037|3.713264|2.853861|26.794248|4.479390|6.787506|13.961811|9.709192|8.936495|17.794711|8.937670|5.634958|4.986026|5.639524|4.083002|4.092234|2.154641|1.852724|0.046647|0.044307|0.043647|0.054500|0.050889|0.063433|0.073712|0.057314|0.052141|0.072176|0.051647|0.115975|0.107355|0.148000|0.500000| |1.463360|1.629919|1.739089|1.883598|1.969550|1.882878|1.739278|1.681798|2.606875|1.854778|3.122066|1.868641|1.665776|1.640943|1.796654|2.780410|2.096561|18.152164|2.902625|3.755771|7.214383|5.678365|5.656182|8.974042|17.701293|8.909421|5.674627|4.941767|3.549549|6.984232|1.725223|1.498021|0.040923|0.038725|0.038932|0.047564|0.044228|0.053140|0.057835|0.046258|0.043805|0.055075|0.041928|0.077312|0.074608|0.099054|0.216838|0.500000| |1.221781|1.319391|1.415858|1.539655|1.643025|1.591663|1.456850|1.384957|2.280497|1.646607|2.736071|1.739425|1.599820|1.642343|1.846617|2.799111|1.986185|16.060852|2.778447|3.318910|5.533972|5.710787|5.665770|4.978101|5.682005|8.945624|17.693827|8.967888|7.096450|7.014130|1.869974|1.423631|0.034601|0.032766|0.032432|0.037846|0.035496|0.043247|0.048959|0.039215|0.036122|0.049144|0.042518|0.075675|0.077486|0.113527|0.108053|0.124483|0.500000| |1.285053|1.387462|1.524070|1.662124|1.831494|1.822888|1.647094|1.522115|2.719474|2.016423|3.303442|2.234916|2.061080|2.188869|2.589671|3.995631|2.673546|21.002973|4.096967|4.530410|6.561464|8.807783|6.526651|4.522327|3.956283|4.298434|5.949490|8.777981|17.498946|3.357486|2.715851|1.772277|0.036390|0.034867|0.033705|0.039145|0.037280|0.045708|0.054818|0.044894|0.039496|0.059161|0.056036|0.118238|0.118662|0.228290|0.106332|0.090123|0.156821|0.500000| |1.373291|1.479574|1.631442|1.809784|2.006206|1.959759|1.740695|1.609611|2.925324|2.117460|3.407768|2.342440|2.135590|2.249701|2.661199|4.170420|2.822605|22.674866|4.444732|5.055745|7.410980|9.298195|6.749337|4.597924|3.968285|4.256189|5.822395|8.816281|17.545041|3.316594|2.739656|1.829008|0.039235|0.037078|0.035905|0.041939|0.039352|0.050236|0.061262|0.046867|0.041375|0.064938|0.057178|0.117231|0.137563|0.213201|0.108513|0.090368|0.151176|0.301561|0.500000| |1.236970|1.327496|1.442700|1.578115|1.716329|1.679328|1.520128|1.423119|2.463807|1.793905|2.943269|1.951856|1.809012|1.900817|2.194711|3.329262|2.277776|17.933918|3.272863|3.705348|5.766577|6.601373|5.567207|4.181648|3.995159|4.780119|7.325946|8.869788|17.596686|3.839600|2.285560|1.582790|0.035191|0.033398|0.032605|0.037713|0.035546|0.043962|0.051591|0.041112|0.036954|0.053758|0.049135|0.089847|0.096101|0.145982|0.096134|0.090831|0.228367|0.303151|0.302102|0.500000| |1.229981|1.343006|1.413614|1.513053|1.570420|1.512379|1.413463|1.372915|2.100737|1.508923|2.558562|1.537002|1.405181|1.405078|1.532870|2.311346|1.703222|13.995553|2.239853|2.692054|4.876716|4.174492|3.954420|4.675836|6.993253|8.836639|5.689124|4.198314|3.262455|17.561843|1.508848|1.277408|0.034458|0.032735|0.032998|0.038973|0.036547|0.042756|0.045871|0.037928|0.036148|0.044333|0.036453|0.061022|0.059641|0.078530|0.110883|0.206625|0.145259|0.083127|0.080326|0.090429|0.500000| |1.166579|1.261963|1.333022|1.432687|1.498050|1.445315|1.343628|1.297390|2.028362|1.460082|2.461402|1.507806|1.389847|1.406219|1.545705|2.317625|1.680310|13.584028|2.219170|2.624172|4.613093|4.180542|3.957137|4.183382|5.605531|8.831999|7.151616|4.710816|3.791135|17.570568|1.544520|1.258957|0.032854|0.031159|0.031241|0.036445|0.034186|0.040470|0.044046|0.036131|0.034109|0.043124|0.036620|0.060582|0.060428|0.080853|0.096406|0.141639|0.217664|0.094255|0.090808|0.111561|0.301741|0.500000| |1.257157|1.365311|1.436500|1.554618|1.613288|1.533861|1.420354|1.381723|2.129106|1.511250|2.538533|1.542205|1.409113|1.410290|1.540847|2.325730|1.712103|14.089102|2.257049|2.721476|4.970377|4.185968|3.972032|4.485600|6.377806|8.840019|6.141569|4.389774|3.448424|17.529823|1.518001|1.279371|0.035497|0.033332|0.033708|0.039795|0.036833|0.044368|0.047650|0.037848|0.036176|0.045383|0.036575|0.060239|0.061272|0.078301|0.105022|0.173226|0.163314|0.084001|0.086938|0.097824|0.302239|0.302033|0.500000| |1.466022|1.544212|1.756998|1.908173|2.213584|2.354358|2.092028|1.829202|3.867230|3.076287|4.830711|4.050170|4.316870|5.889511|8.916530|9.630364|4.833099|26.277606|4.109804|3.171563|4.880349|4.132531|2.512499|2.186336|1.912349|1.860545|2.053846|2.409901|2.711655|1.628276|17.564681|3.347305|0.041817|0.040992|0.037635|0.041958|0.041132|0.050470|0.065718|0.058878|0.047178|0.085740|0.151337|0.119750|0.133680|0.093960|0.060657|0.048839|0.054586|0.080497|0.083529|0.068372|0.042930|0.044383|0.043664|0.500000| |1.420757|1.509728|1.714098|1.832999|2.110282|2.284127|2.071295|1.807479|3.727677|3.085185|5.004125|4.049431|4.327058|5.903967|8.919899|9.604487|4.824341|26.226783|4.147273|3.188099|4.851642|4.212828|2.546803|2.230415|1.942808|1.877136|2.059426|2.414787|2.675711|1.639746|17.563704|3.359046|0.040081|0.039817|0.036577|0.040938|0.040658|0.048134|0.061464|0.059224|0.047050|0.079901|0.151845|0.132421|0.124074|0.097289|0.062292|0.049735|0.054439|0.081916|0.079492|0.066957|0.043635|0.044719|0.043480|0.302405|0.500000| |1.422830|1.491009|1.691103|1.800300|2.068996|2.252183|2.054509|1.790592|3.679808|3.041825|4.945917|3.990358|4.729388|7.207158|8.838790|7.808757|4.299933|22.665490|3.296425|2.628647|4.159059|3.414334|2.128520|1.904199|1.686719|1.634523|1.773391|2.034013|2.229552|1.450616|17.591953|3.795133|0.040294|0.040190|0.036570|0.040138|0.040036|0.047171|0.059938|0.059065|0.046746|0.078753|0.219640|0.098187|0.099333|0.076151|0.053384|0.043664|0.047264|0.066329|0.066597|0.056989|0.038667|0.039586|0.038872|0.300428|0.300524|0.500000| |2.245019|2.332317|2.811270|2.887168|3.452809|4.348899|4.135112|3.247399|7.498051|6.868954|11.716102|6.794333|8.830132|5.792719|4.267543|5.397860|4.599534|24.858909|2.775174|2.343711|4.100096|2.802015|1.799232|1.723402|1.534924|1.433337|1.478647|1.644594|1.667353|1.290488|3.299508|17.580935|0.063019|0.066301|0.055442|0.059479|0.062193|0.070555|0.091857|0.128989|0.083740|0.138585|0.148963|0.075396|0.076513|0.057395|0.050626|0.041137|0.038684|0.047213|0.049326|0.042681|0.034982|0.034397|0.035224|0.083990|0.081569|0.090957|0.500000| |1.860438|1.924179|2.242747|2.301089|2.672635|3.175889|3.043879|2.522522|5.282422|4.778690|8.368178|5.571580|8.893106|7.362549|4.807067|5.460046|4.204888|22.001818|2.626233|2.197467|3.753326|2.692518|1.727718|1.635938|1.462684|1.380152|1.436396|1.599485|1.646100|1.244753|3.825080|17.594796|0.052143|0.054458|0.046847|0.049842|0.051837|0.057755|0.072886|0.093423|0.066471|0.103017|0.226737|0.073540|0.073361|0.056199|0.047513|0.038998|0.037833|0.047171|0.048529|0.042301|0.033710|0.033426|0.033808|0.093583|0.092992|0.111642|0.301236|0.500000| 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