Version2.1 2021-01-15T18:32:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)C)[C@H](C(=O)NC2CCCCC2)N(C(=O)c3ccc(cc3)OC)C(C)(C)C C36584372 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)C)[C@H](C(=O)NC2CCCCC2)N(C(=O)c3ccc(cc3)OC)C(C)(C)C C01[X(C28H38N2O3)] 207 C1 571 COc1ccc(cc1)C(=O)N(C(C)(C)C)[C@H](c1ccc(cc1C)C)C(=O)NC1CCCCC1 COc1ccc(cc1)C(=O)N(C(C)(C)C)[C@H](c1ccc(cc1C)C)C(=O)NC1CCCCC1 COc1ccc(cc1)C(=O)N([C@@H](C(=O)NC2CCCCC2)c3ccc(C)cc3C)C(C)(C)C InChIKey=RFTJZETUBFDGLJ-RUZDIDTESA-N InChI=1S/C28H38N2O3/c1-19-12-17-24(20(2)18-19)25(26(31)29-22-10-8-7-9-11-22)30(28(3,4)5)27(32)21-13-15-23(33-6)16-14-21/h12-18,22,25H,7-11H2,1-6H3,(H,29,31)/t25-/m1/s1 InChI=1/C28H38N2O3/c1-19-12-17-24(20(2)18-19)25(26(31)29-22-10-8-7-9-11-22)30(28(3,4)5)27(32)21-13-15-23(33-6)16-14-21/h12-18,22,25H,7-11H2,1-6H3,(H,29,31)/t25-/m1/s1/f/h29H Cc1ccc(c(c1)C)[C@H](C(=O)NC2CCCCC2)N(C(=O)c3ccc(cc3)OC)C(C)(C)C C01[X(C28H38N2O3)] 207 C01 571 COc1ccc(cc1)C(=O)N(C(C)(C)C)[C@H](c1ccc(cc1C)C)C(=O)NC1CCCCC1 CO[C]1[CH][CH][C]([CH][CH]1)C(=O)N(C(C)(C)C)[C@H]([C]1[CH][CH][C]([CH][C]1C)C)[C]([NH]C1CCCCC1)=O CO[C]1[CH][CH][C]([CH][CH]1)C(=O)N([C@H]([C]2[CH][CH][C](C)[CH][C]2C)C(=O)NC3CCCCC3)C(C)(C)C InChIKey=RFTJZETUBFDGLJ-RUZDIDTESA-N InChI=1S/C28H38N2O3/c1-19-12-17-24(20(2)18-19)25(26(31)29-22-10-8-7-9-11-22)30(28(3,4)5)27(32)21-13-15-23(33-6)16-14-21/h12-18,22,25H,7-11H2,1-6H3,(H,29,31)/t25-/m1/s1 InChI=1/C28H38N2O3/c1-19-12-17-24(20(2)18-19)25(26(31)29-22-10-8-7-9-11-22)30(28(3,4)5)27(32)21-13-15-23(33-6)16-14-21/h12-18,22,25H,7-11H2,1-6H3,(H,29,31)/t25-/m1/s1/f/h29H 3697.7701858397 -1415.9422197 1-A 14275.5471 122 449 571 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.59416 -20.52149 -20.51807 -15.57966 -15.57944 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1519.60 1522.65 1529.86 1552.69 1580.50 1589.77 1593.83 1596.61 1604.34 1606.47 1647.33 1654.89 1668.51 1680.91 1688.07 1688.48 1691.87 1718.69 1732.89 1741.63 1745.98 1757.08 1786.92 1832.07 1852.46 1862.39 1868.05 1876.17 1884.24 1905.18 1920.55 1925.69 1949.23 1956.39 1971.56 1985.49 2003.10 2014.87 2018.81 2036.50 2039.44 2056.22 2072.04 2094.38 2109.06 2118.69 2136.37 2165.15 2192.50 2198.13 2204.95 2223.38 2243.52 2244.03 2246.75 2251.02 2257.38 2261.41 2267.12 2290.22 2337.95 2346.51 2347.47 2348.46 2352.93 2353.36 2354.35 2360.84 2362.45 2365.07 2366.27 2370.38 2372.02 2375.32 2388.43 2388.70 2396.42 2405.87 2414.27 2437.73 2462.20 2546.45 2550.65 2615.75 2621.59 2754.89 2788.59 4562.21 4579.08 4584.48 4592.48 4595.77 4608.89 4616.76 4616.95 4617.17 4622.56 4651.43 4653.42 4653.65 4662.46 4671.09 4685.76 4690.07 4692.37 4695.54 4706.92 4707.83 4710.14 4722.00 4724.64 4740.89 4747.08 4767.83 4790.75 4816.37 4818.55 4832.69 4845.73 4877.10 4891.92 4916.46 4931.94 4975.63 5595.49 0.661463 0.693084 0.694029 0.597189 -1415.280757 -1415.249135 -1415.248191 -1415.345031 3.248030D-04 MUNgauss RevisionA2.0 retrievium 15-Jan-2021 DUDE Cc1ccc(c(c1)C)[C@H](C(=O)NC2CCCCC2)N(C(=O)c3ccc(cc3)OC)C(C)(C)C C36584372 RHF 6-31G(d) (6D,10F) C1 450.288243 |X|Y|Z| 54.511004 67.217313 82.376644 67.079498 23 6 7 21 2 |36.858105| |12.612076|36.858105| |7.534541|13.783099|36.858105| |5.011140|7.923613|13.732993|36.858105| |4.396628|6.748930|7.859255|13.768328|36.858105| |4.994150|7.812916|6.846159|7.959870|13.529594|36.858105| |7.555796|13.689668|8.029187|6.974854|7.911595|13.741755|36.858105| |3.803970|5.012439|4.435521|5.005606|7.431752|12.571583|7.638179|36.858105| |3.248810|4.375716|4.967106|7.471500|12.443517|7.483700|4.996103|6.376053|36.858105| |3.045601|3.991224|4.262979|5.771761|9.030162|7.176806|4.760598|7.301997|17.649159|0.500000| |2.856710|3.657286|3.956627|5.254383|7.311571|5.817868|4.195980|5.704129|12.285383|0.261130|36.858105| |2.429787|2.990002|3.193076|4.034932|5.163205|4.419586|3.381140|4.664689|8.031798|0.212977|15.818457|73.516695| |3.051003|3.882476|4.085668|5.112396|6.671269|5.862599|4.457509|5.558174|7.676267|0.172224|14.224674|15.116537|53.358707| |2.599655|3.118459|3.199614|3.723961|4.430693|4.206013|3.498689|4.268144|4.935582|0.122107|7.760797|12.103453|17.785754|36.858105| |2.655749|3.092715|3.157167|3.492451|3.855833|3.719584|3.330919|3.579608|3.913553|0.096076|5.175461|8.021436|10.635637|12.454659|36.858105| |2.233233|2.504828|2.527091|2.727072|2.957126|2.908509|2.673999|2.897585|3.040851|0.077519|3.858163|6.484726|6.820845|7.539636|12.438389|36.858105| |2.112267|2.347317|2.307518|2.469142|2.739543|2.797904|2.571593|2.928437|2.825936|0.074638|3.552028|6.144322|6.021231|6.433259|7.516352|12.441019|36.858105| |2.087285|2.362979|2.327763|2.551227|2.930453|2.995532|2.652499|3.280309|3.152564|0.085211|4.141959|7.511681|6.776165|7.538562|6.449657|7.538594|12.442606|36.858105| |2.421616|2.838987|2.793432|3.144934|3.797740|3.908983|3.292296|4.391991|4.158119|0.111957|5.920638|10.242256|10.464144|12.433760|7.555941|6.455149|7.528757|12.438608|36.858105| |2.865995|3.685306|4.411081|6.469129|7.487281|5.009928|3.868987|4.348379|12.904497|0.258383|7.570735|11.511208|7.275771|3.946373|3.294712|2.667918|2.446667|2.684040|3.322840|53.358707| |2.487594|3.070609|3.633602|4.910457|5.243525|3.869720|3.156027|3.489663|7.665743|0.168714|6.832167|11.686735|6.899614|4.018890|3.375023|2.776785|2.490931|2.720748|3.272830|18.606193|36.858105| |2.172059|2.602537|3.008624|3.827702|4.024198|3.178700|2.667850|2.971978|5.452608|0.135081|5.102174|9.649079|5.409274|3.382426|2.883677|2.472506|2.250845|2.466406|2.871123|11.403395|15.907331|73.516695| |2.506287|3.060626|3.636974|4.761554|4.845946|3.670022|3.086077|3.255739|6.176186|0.132932|6.643536|10.754799|7.774286|4.680164|4.081847|3.275040|2.794422|2.967388|3.525078|10.286670|12.641892|14.672617|36.858105| |2.178624|2.581538|2.936620|3.607698|3.771561|3.084192|2.639887|2.875952|4.690187|0.109655|5.690359|10.447035|7.042537|4.859531|4.218076|3.556986|2.994057|3.199321|3.650851|7.084517|7.667551|11.925569|13.607370|36.858105| |2.080130|2.409677|2.710163|3.184986|3.235681|2.744951|2.429425|2.555253|3.718458|0.088743|4.454750|7.912107|6.153456|4.631044|4.452378|3.910985|3.135358|3.194598|3.467293|5.328356|5.066866|8.179999|7.896471|13.888119|36.858105| |2.229010|2.562261|2.925038|3.361100|3.257042|2.762618|2.512155|2.493345|3.509081|0.082665|3.990012|6.643497|5.816181|4.261761|4.518830|3.885330|3.026566|2.945243|3.193418|4.962594|4.436195|6.954274|6.813249|7.935065|13.628665|36.858105| |2.574829|3.015625|3.599019|4.211532|3.855015|3.144192|2.874009|2.716600|3.996833|0.090979|4.258570|6.695906|6.173334|4.122306|4.337461|3.519445|2.814648|2.754333|3.097198|5.739520|4.986717|7.391417|7.874968|6.879483|7.930004|13.777382|36.858105| |2.771693|3.381584|4.195335|5.396895|4.907020|3.704638|3.252454|3.126964|5.339090|0.114783|5.350932|8.103586|7.132457|4.307244|4.136051|3.263385|2.718703|2.767563|3.241658|8.227363|7.485546|9.878795|13.823570|7.992661|6.907420|7.943327|13.670025|36.858105| |2.039974|2.280826|2.543162|2.805894|2.715627|2.390970|2.227708|2.188580|2.847694|0.069094|3.208686|5.429240|4.765095|3.670033|4.125137|3.840483|2.959593|2.776148|2.877912|3.951613|3.381239|5.498416|4.602867|5.306312|8.198971|14.156538|7.881180|5.200723|73.516695| |2.079823|2.278571|2.539198|2.708605|2.549874|2.274826|2.177350|2.055443|2.571694|0.062745|2.796100|4.645774|4.188688|3.158383|3.663362|3.424591|2.686385|2.466581|2.551900|3.546137|2.920771|4.746016|3.780661|3.991160|5.257115|8.019395|6.729501|4.511623|24.199591|36.858105| |2.645937|3.295070|3.815644|5.069280|5.609324|4.280082|3.452919|3.903063|7.555775|0.212388|5.093025|8.582297|5.295594|3.088857|2.640204|2.224427|2.093051|2.298914|2.765519|17.176024|7.725308|12.384247|4.932682|3.869349|3.071882|2.877023|3.233321|4.232034|4.251455|2.187444|36.858105| |3.023400|3.818848|4.320381|5.515477|6.106870|4.944494|4.041564|4.395052|6.651154|0.202634|4.385943|7.073979|4.864771|2.836314|2.476808|2.089018|1.992798|2.169020|2.612317|10.351314|5.040614|7.980571|3.817753|3.091924|2.587061|2.500754|2.831767|3.553423|3.789080|1.996879|12.370691|36.858105| |2.419763|2.905378|3.430866|4.302206|4.237938|3.357996|2.899121|3.021352|4.990947|0.132569|3.826233|6.550414|4.280620|2.609196|2.318089|1.991588|1.856383|1.997729|2.326497|10.390536|6.530680|12.020156|4.504818|3.582374|2.917981|2.780174|3.145887|4.046208|4.145402|2.157020|12.374823|7.772354|36.858105| |2.269467|2.741186|3.012342|3.757771|4.331321|3.642764|2.957116|3.644368|5.928202|0.191128|4.717778|8.894141|4.848565|2.961744|2.476149|2.139740|2.057635|2.314053|2.755690|10.300737|6.147962|11.399493|4.174251|3.597771|2.862352|2.593636|2.779795|3.455939|3.903299|1.986770|12.395703|7.622124|7.523284|36.858105| |17.554148|8.838201|5.782402|4.261151|3.941046|4.629204|6.862837|3.729269|3.005448|0.080610|2.638367|4.056803|3.765741|2.384181|2.397051|2.050696|1.974926|1.971057|2.274181|3.620761|2.299792|3.617941|2.275062|1.998120|1.898350|2.004782|2.277372|2.458682|3.275822|1.865971|2.525959|2.945216|2.305849|2.201164|0.500000| |17.535509|8.844279|5.978390|4.343047|3.953945|4.534036|6.558769|3.605726|3.014353|0.078358|2.759805|4.189068|4.130889|2.649290|2.781008|2.351302|2.225563|2.160122|2.481377|3.592545|2.341350|3.644688|2.407621|2.128818|2.063858|2.225789|2.541951|2.668468|3.669301|2.120842|2.404139|2.671693|2.198748|2.099286|0.302294|0.500000| |17.579048|8.840053|7.206144|4.731955|3.932777|4.152185|5.579264|3.230368|2.998942|0.077436|2.631553|4.022554|3.781467|2.389928|2.458775|2.088752|1.955259|1.922977|2.201461|3.738814|2.416483|3.778932|2.444320|2.118797|2.034842|2.203992|2.569962|2.746276|3.601669|2.091363|2.556389|2.894544|2.404193|2.174756|0.301683|0.301875|0.500000| |6.948231|8.918895|17.703028|8.934866|5.624549|4.937460|5.674168|3.547393|4.069200|0.098322|3.363737|4.982450|4.716000|2.825981|2.851005|2.334773|2.117003|2.109656|2.468547|5.269326|3.332913|5.017619|3.387337|2.760794|2.593296|2.853898|3.551399|4.023058|4.468386|2.564720|3.434753|3.802113|3.262412|2.730093|0.148046|0.155339|0.219427|0.500000| |4.097520|5.663846|8.975447|17.808663|8.988713|5.665547|5.013958|4.077726|6.960736|0.147033|4.993693|7.069314|6.358911|3.510318|3.298128|2.616804|2.339035|2.414430|2.918276|10.058937|5.778276|7.839755|5.564048|3.977924|3.455503|3.674131|4.790672|6.617670|5.330119|2.880257|5.589939|5.580241|5.059048|3.938925|0.098805|0.100752|0.112973|0.217509|0.500000| |7.052553|8.944394|5.691331|5.002686|5.638136|8.972636|17.689674|7.184685|4.081934|0.112651|3.620906|5.383085|5.274153|3.208711|3.083574|2.548573|2.514843|2.587424|3.156045|4.418878|2.722962|4.188494|2.668388|2.348532|2.187033|2.248361|2.513629|2.775753|3.607650|1.990419|2.980626|3.465130|2.535932|2.650024|0.200588|0.183089|0.141437|0.124565|0.108532|0.500000| |3.327459|4.245228|3.919500|4.517833|6.563396|8.757567|5.870121|17.594038|6.462087|0.200501|6.873106|9.967800|9.461013|5.342862|4.188190|3.341791|3.434903|4.004791|5.792005|5.890022|3.618683|5.463867|3.453897|3.129511|2.776857|2.664248|2.843037|3.242212|4.147535|2.158550|3.732568|3.912373|2.900859|3.595134|0.088992|0.090212|0.080088|0.089329|0.106147|0.154230|0.500000| |3.887655|4.820184|4.011264|4.197041|5.530437|8.872942|7.438570|17.591706|4.697931|0.144059|4.389319|6.685757|6.116101|3.727133|3.274074|2.730072|2.819250|3.102048|3.985289|4.765906|2.916811|4.520363|2.774232|2.500537|2.274282|2.241841|2.422679|2.712520|3.567591|1.908276|3.237310|3.672173|2.614313|3.065433|0.109405|0.104307|0.089846|0.091166|0.096299|0.234487|0.302727|0.500000| |3.372651|4.314033|3.984360|4.580410|6.575105|8.813501|5.961965|17.532019|6.349373|0.232542|5.325398|8.238372|6.438606|3.731524|3.103266|2.582020|2.615549|2.966854|3.849742|6.151075|3.541132|5.469655|3.155118|2.787453|2.437647|2.344927|2.540972|2.959083|3.653731|1.921631|4.331930|5.065825|3.248673|4.188941|0.093767|0.087160|0.081713|0.090788|0.107856|0.156486|0.302531|0.302954|0.500000| |3.566884|4.697647|4.967267|6.188989|7.877572|6.879429|5.336735|5.746090|7.334834|0.159247|9.468836|10.901174|26.087215|8.986615|7.551538|4.728429|4.093317|4.294057|6.085511|7.005211|4.699710|6.523174|5.354849|4.601175|4.176331|4.227630|4.759014|5.459543|6.212145|3.180034|3.779158|3.607021|3.111409|3.321917|0.087527|0.099045|0.089255|0.113788|0.148959|0.123977|0.184607|0.130914|0.130199|0.500000| |2.327403|2.758899|2.893506|3.400049|3.939270|3.605276|3.023316|3.648728|4.641926|0.115278|7.328664|13.250163|12.605578|17.592942|8.897614|6.859339|5.718373|6.876253|8.908354|5.402908|4.306445|6.573410|5.167331|5.940265|5.636506|4.745251|4.309841|4.469709|7.140719|3.296757|3.104064|2.754652|2.655837|3.033103|0.059632|0.065257|0.060396|0.072358|0.092366|0.077016|0.122535|0.088671|0.092609|0.185370|0.500000| |2.690289|3.138593|3.323001|3.702501|3.904573|3.591726|3.252649|3.303532|3.940266|0.093847|5.016541|7.675601|9.731635|8.852557|17.552184|8.807980|5.482294|4.839868|5.505945|4.688227|3.624502|5.445009|4.661953|4.796136|5.346192|5.851671|5.596940|4.991398|9.303138|4.579663|2.712887|2.512962|2.425340|2.491481|0.066560|0.077757|0.070396|0.084760|0.099716|0.081957|0.103542|0.083265|0.080787|0.204719|0.215251|0.500000| |2.980455|3.457519|3.411257|3.647122|4.021127|4.074431|3.764462|3.871652|3.827560|0.094847|4.757849|7.150628|9.723592|8.862250|17.471315|8.846462|6.775238|5.675757|6.832370|4.287347|3.104282|4.710323|3.619565|3.564286|3.671369|3.837692|3.891314|3.776955|6.308277|3.317878|2.563683|2.476537|2.245468|2.380521|0.074133|0.088612|0.075333|0.084584|0.092596|0.097860|0.124386|0.100645|0.090359|0.218057|0.174264|0.302198|0.500000| |2.047478|2.296832|2.357812|2.576820|2.774476|2.665114|2.428821|2.654854|2.938827|0.074912|3.751696|6.549987|6.285838|6.796313|8.864064|17.507512|8.847887|6.773500|5.656531|3.609987|2.842717|4.565296|3.404226|3.892184|4.450232|4.248380|3.632085|3.317588|7.603945|3.635663|2.212788|2.040935|1.999311|2.147918|0.052433|0.059150|0.053768|0.061068|0.070101|0.063901|0.084445|0.068823|0.067127|0.117502|0.202355|0.215224|0.173806|0.500000| |2.206829|2.424347|2.437654|2.568391|2.710838|2.679959|2.536772|2.622921|2.713472|0.069153|3.285847|5.469391|5.653105|5.498394|8.837822|17.537804|8.807087|5.490052|4.844353|3.291744|2.506959|3.993633|2.953433|3.155673|3.539596|3.688068|3.371642|3.039824|6.786982|3.564708|2.040991|1.936300|1.855016|1.946559|0.056073|0.065337|0.057725|0.063441|0.068589|0.067571|0.081840|0.069693|0.065017|0.114460|0.140448|0.212054|0.214974|0.303639|0.500000| |1.896870|2.075752|2.045630|2.171305|2.373302|2.413597|2.246115|2.522644|2.453874|0.065329|3.003531|5.304528|4.859309|4.833577|5.484216|8.820099|17.534229|8.808247|5.485781|2.960594|2.233141|3.649099|2.489563|2.699208|2.864816|2.760991|2.533802|2.422624|4.924363|2.530510|1.890773|1.798934|1.698806|1.872902|0.049575|0.055463|0.049191|0.052759|0.057711|0.061382|0.080484|0.068057|0.063704|0.092641|0.128037|0.123144|0.139157|0.215081|0.211360|0.500000| |2.240532|2.464535|2.370598|2.488346|2.758875|2.901552|2.721871|3.048553|2.757930|0.073250|3.362477|5.666586|5.739827|5.636630|6.758288|8.851735|17.493414|8.852570|6.776447|3.210535|2.350351|3.759084|2.600525|2.702730|2.795104|2.762976|2.647378|2.575148|4.796410|2.517354|2.034627|1.973719|1.802051|1.985499|0.058289|0.066476|0.057053|0.060180|0.064489|0.075191|0.098596|0.083470|0.074393|0.112812|0.131851|0.138973|0.199036|0.173748|0.214933|0.303316|0.500000| |1.928177|2.181201|2.186429|2.420705|2.752478|2.736252|2.412544|2.958547|3.046520|0.082241|4.029256|7.691410|6.254015|6.803847|5.662855|6.778360|8.848439|17.501259|8.851833|3.634494|2.781113|4.554747|3.048976|3.419093|3.435651|3.058231|2.779321|2.780827|5.136682|2.509279|2.291086|2.120252|2.006597|2.335907|0.050615|0.054940|0.049878|0.055537|0.064807|0.064750|0.098513|0.076750|0.076214|0.108279|0.203259|0.126830|0.131345|0.198997|0.139138|0.214738|0.173739|0.500000| |1.980519|2.214676|2.151391|2.328882|2.674578|2.796195|2.504129|3.146425|2.849753|0.078935|3.590189|6.573144|5.606217|5.494358|4.837604|5.490345|8.809899|17.538736|8.829334|3.318463|2.437036|3.979149|2.588168|2.750632|2.718951|2.524347|2.391171|2.420794|4.262383|2.165650|2.140334|2.046835|1.862989|2.181211|0.052587|0.056956|0.050552|0.054262|0.060972|0.069140|0.105683|0.084682|0.079916|0.101320|0.140741|0.106618|0.127025|0.139133|0.123133|0.211209|0.214838|0.303680|0.500000| |2.651103|3.103457|2.952821|3.245603|3.953505|4.336808|3.707185|5.023248|4.064221|0.110673|5.341813|8.659077|9.596843|8.872936|6.849506|5.696052|6.796717|8.835202|17.491322|4.322155|3.021967|4.692799|3.203698|3.192532|3.043546|2.904213|2.901422|3.042976|4.694874|2.408093|2.682004|2.616780|2.253327|2.635181|0.069363|0.076317|0.065790|0.071651|0.081444|0.101000|0.188373|0.131188|0.116423|0.172351|0.174572|0.140441|0.203154|0.131525|0.127564|0.139346|0.200032|0.173557|0.213984|0.500000| |2.315115|2.728611|2.697426|3.084917|3.811259|3.902398|3.196911|4.614434|4.405376|0.124235|6.371554|12.184028|9.542846|8.863914|5.512759|4.842046|5.486313|8.801571|17.575466|4.771089|3.423305|5.405870|3.524150|3.645089|3.325642|2.983407|2.906009|3.128220|4.725052|2.346209|2.961725|2.772953|2.444390|3.049663|0.061118|0.064849|0.058593|0.066077|0.080012|0.085119|0.173425|0.113752|0.117077|0.149969|0.215939|0.123763|0.140372|0.126631|0.106717|0.123062|0.139255|0.214501|0.211757|0.302114|0.500000| |2.018311|2.375883|2.649709|3.224516|3.471798|2.907691|2.470643|2.806715|4.459771|0.109460|5.502466|11.381061|6.443614|4.580282|3.803017|3.329138|2.913229|3.220806|3.638540|6.742991|7.198375|12.691898|8.918613|17.759643|8.973299|5.645284|4.958794|5.682519|7.618535|3.334183|3.867489|3.041483|3.534057|3.825972|0.052083|0.054700|0.054276|0.068865|0.096928|0.061811|0.085536|0.067839|0.076982|0.113351|0.160055|0.113763|0.089920|0.102106|0.081167|0.073687|0.072530|0.097965|0.077757|0.086983|0.104734|0.500000| |1.883587|2.147973|2.367011|2.720554|2.793071|2.441580|2.180886|2.325905|3.185489|0.078512|3.831222|7.071668|5.321401|4.248370|4.124615|3.901193|3.158654|3.210211|3.328416|4.495107|4.124592|6.990924|5.615080|8.916533|17.737334|8.939366|5.660091|4.971612|13.494915|4.874686|2.698882|2.302716|2.572564|2.591292|0.048161|0.052226|0.051120|0.063086|0.080547|0.055373|0.070552|0.058224|0.061908|0.099364|0.146709|0.131919|0.094048|0.129236|0.098158|0.082089|0.076835|0.098774|0.076074|0.080288|0.088872|0.214509|0.500000| |2.684055|3.077720|3.696451|4.101624|3.598249|3.003375|2.843967|2.560484|3.528070|0.081722|3.629000|5.679186|5.355330|3.600265|3.951207|3.265518|2.630984|2.520457|2.798992|4.983818|4.078208|6.191655|5.640412|4.959570|5.626507|8.873838|17.762603|8.936347|12.472437|7.438529|2.918327|2.644378|2.882811|2.498280|0.065190|0.074077|0.075660|0.104937|0.128355|0.069291|0.073295|0.064428|0.066170|0.118933|0.101031|0.139920|0.102648|0.091598|0.089817|0.066271|0.069989|0.069700|0.061510|0.074534|0.072429|0.107698|0.124085|0.500000| |3.113717|3.872216|5.138841|6.861348|5.528460|4.013376|3.582707|3.238982|5.524404|0.117755|4.931422|7.289628|6.507052|3.807705|3.684961|2.922262|2.493474|2.532764|2.982130|8.691624|6.853767|9.099499|8.941908|5.664502|4.977461|5.679255|8.995142|17.802164|7.481097|3.925865|4.549482|3.950528|4.436581|3.513241|0.075802|0.081554|0.086880|0.139484|0.267261|0.083112|0.090353|0.078062|0.085286|0.145526|0.105454|0.119602|0.097780|0.080689|0.076671|0.061840|0.066921|0.069618|0.062531|0.079929|0.080354|0.124541|0.107974|0.219004|0.500000| |2.068507|2.257692|2.555048|2.716070|2.502316|2.210507|2.126763|1.979441|2.512489|0.061279|2.652002|4.404024|3.873558|2.829659|3.168729|2.918401|2.366134|2.214318|2.318175|3.546815|2.927409|4.798795|3.736602|3.809988|4.777633|7.055118|6.731755|4.577209|16.443409|17.563556|2.209983|2.015472|2.225397|1.986531|0.051543|0.058012|0.058521|0.072989|0.081810|0.053777|0.057046|0.051005|0.051811|0.082168|0.081714|0.107158|0.081356|0.085007|0.083319|0.061949|0.062231|0.062465|0.054652|0.061219|0.060079|0.088577|0.120463|0.223253|0.113613|0.500000| |2.292981|2.507362|2.783571|2.923551|2.731569|2.455686|2.377822|2.192601|2.683518|0.065097|2.914292|4.732737|4.500356|3.378262|4.104000|3.738713|2.878805|2.591537|2.705474|3.611562|2.897214|4.612896|3.724305|3.784415|4.744514|7.025418|6.732436|4.570619|16.438141|17.557761|2.212294|2.050254|2.153127|1.993011|0.056507|0.065692|0.063905|0.078052|0.084944|0.060254|0.063884|0.056745|0.056216|0.097474|0.094854|0.146783|0.105467|0.106270|0.110749|0.074335|0.076040|0.071803|0.062987|0.071933|0.068026|0.087927|0.119491|0.224017|0.113309|0.298932|0.500000| |1.892544|2.043948|2.237192|2.358389|2.247330|2.042092|1.966312|1.873573|2.270343|0.056311|2.475154|4.177296|3.694331|2.848598|3.308895|3.253729|2.586658|2.347211|2.368097|3.114321|2.543141|4.206325|3.177025|3.418076|4.417599|5.885942|4.906172|3.617005|17.002876|17.647434|1.957647|1.798915|1.932199|1.804688|0.047581|0.053896|0.052806|0.062725|0.068852|0.050554|0.054721|0.048764|0.048811|0.077121|0.082758|0.110506|0.083693|0.097002|0.096007|0.069101|0.067208|0.066678|0.057704|0.062119|0.060518|0.082237|0.121472|0.145585|0.089267|0.299940|0.299977|0.500000| |3.448804|4.439625|5.301051|6.765538|6.582347|5.167105|4.439172|4.223064|6.138266|0.168004|4.095966|6.386671|4.763612|2.767008|2.482637|2.079761|1.962568|2.097045|2.511686|9.369200|4.730717|7.305441|3.786299|3.011023|2.568334|2.549681|2.961425|3.721766|3.868631|2.069047|8.708013|17.606597|7.078931|5.503876|0.092213|0.082567|0.093096|0.130002|0.192345|0.102755|0.102922|0.099898|0.127822|0.101720|0.073887|0.070838|0.069719|0.056114|0.054099|0.049184|0.054336|0.056596|0.054752|0.070578|0.072437|0.080145|0.063025|0.078268|0.120257|0.058450|0.059451|0.051495|0.500000| |2.707505|3.270702|3.599940|4.278381|4.561415|3.977440|3.422155|3.701895|4.886114|0.150603|3.576732|6.000316|4.071562|2.464405|2.176858|1.874576|1.803638|1.959559|2.312270|7.566461|4.162124|7.021672|3.233963|2.711766|2.303730|2.222899|2.477855|3.019730|3.420837|1.811961|8.908218|17.575399|7.246667|7.068416|0.074637|0.066734|0.072774|0.091046|0.121167|0.084423|0.092339|0.089418|0.119436|0.083287|0.067048|0.061168|0.060421|0.051097|0.048539|0.045683|0.049648|0.053464|0.051884|0.064306|0.068357|0.075103|0.057795|0.064829|0.091946|0.050994|0.051364|0.045753|0.302189|0.500000| |3.175563|4.075538|4.351413|5.453532|6.801494|5.977214|4.617215|5.584849|7.239864|0.254749|4.730470|7.531934|5.233706|3.017137|2.594306|2.178431|2.108519|2.320975|2.844549|9.150584|4.551149|7.103513|3.594299|2.981003|2.515676|2.423314|2.710297|3.336870|3.697895|1.946982|8.614245|17.602633|5.541013|6.870241|0.087060|0.078193|0.082083|0.102643|0.140909|0.110626|0.131922|0.125419|0.193667|0.107327|0.079897|0.071720|0.072841|0.058530|0.055759|0.052535|0.058425|0.062319|0.061247|0.080317|0.084808|0.081993|0.062668|0.070341|0.100946|0.053961|0.055951|0.048934|0.301709|0.304484|0.500000| |2.179336|2.575880|3.006625|3.705200|3.678319|2.966147|2.575659|2.723954|4.437267|0.116976|3.665260|6.506090|4.111871|2.568316|2.281241|1.982750|1.840081|1.982310|2.279065|9.085533|6.918249|15.097757|4.724440|3.864726|3.103542|2.894098|3.204645|4.079095|4.300944|2.208898|8.680758|5.568493|17.698420|6.902764|0.057547|0.055833|0.060250|0.080255|0.120666|0.063330|0.074358|0.065979|0.080478|0.081658|0.074190|0.066655|0.060508|0.056004|0.051220|0.047045|0.049151|0.056012|0.051193|0.060454|0.066601|0.107941|0.076302|0.080359|0.118888|0.063502|0.060341|0.055068|0.141834|0.147443|0.122353|0.500000| |2.294378|2.698817|3.105576|3.713026|3.672985|3.057814|2.696740|2.805593|4.138006|0.115251|3.257115|5.640769|3.724725|2.313573|2.071990|1.804884|1.702692|1.830773|2.110353|7.575346|4.807407|8.991113|3.588328|2.988729|2.506131|2.400886|2.676358|3.299925|3.661673|1.926114|8.852866|7.402132|17.557536|6.779748|0.061702|0.057699|0.063504|0.082739|0.116171|0.066612|0.073936|0.068626|0.085052|0.075425|0.065019|0.059637|0.056219|0.050186|0.046939|0.043547|0.046160|0.050963|0.047941|0.057243|0.061757|0.082895|0.062546|0.069348|0.099885|0.055187|0.053474|0.048451|0.183951|0.231535|0.147278|0.302163|0.500000| |2.617351|3.151236|3.874589|4.865860|4.420811|3.431490|3.034562|2.966175|4.831284|0.122076|3.686351|6.085094|4.270479|2.588195|2.352047|2.006029|1.848824|1.958742|2.275926|9.694920|6.143320|10.418027|4.607596|3.551400|2.957891|2.911915|3.410163|4.440364|4.330015|2.286750|8.783308|6.963754|17.538815|5.482300|0.068410|0.065492|0.073392|0.104936|0.169792|0.072763|0.078455|0.071804|0.086399|0.088559|0.072469|0.069302|0.063731|0.055674|0.052361|0.046937|0.050083|0.054317|0.050526|0.061700|0.065267|0.093755|0.071567|0.088323|0.143494|0.066329|0.063715|0.056416|0.209321|0.172864|0.141117|0.300946|0.301894|0.500000| |2.319055|2.817723|3.012241|3.736959|4.571590|3.994061|3.146502|4.239603|6.474058|0.239128|5.315333|10.319106|5.312237|3.228010|2.627884|2.264477|2.212142|2.538673|3.083259|9.364165|5.492122|9.530647|3.978254|3.513021|2.820331|2.544515|2.697909|3.302862|3.851889|1.956632|8.735992|6.854241|5.466027|17.551212|0.062792|0.059959|0.060781|0.074451|0.104300|0.079043|0.117869|0.097111|0.140742|0.098995|0.090815|0.072000|0.070404|0.062705|0.056673|0.055570|0.059402|0.070747|0.066865|0.082008|0.097370|0.104573|0.071488|0.067371|0.092153|0.053715|0.054925|0.049547|0.139889|0.170598|0.202318|0.140089|0.139651|0.122543|0.500000| |2.141722|2.535706|2.750684|3.304471|3.691742|3.233729|2.712942|3.258597|4.600281|0.147237|3.757147|6.987717|4.073124|2.549168|2.179452|1.912521|1.854510|2.068481|2.417271|7.512824|4.666737|8.832753|3.417432|3.010176|2.476761|2.277199|2.433825|2.946316|3.490829|1.799166|8.821892|7.098393|6.886935|17.538676|0.058442|0.054828|0.057321|0.070189|0.095537|0.068579|0.087610|0.078329|0.105045|0.078856|0.072021|0.060788|0.058752|0.053219|0.048791|0.047297|0.050027|0.057856|0.054815|0.064961|0.073800|0.088316|0.063121|0.061825|0.084187|0.050214|0.050098|0.045747|0.143478|0.218259|0.175147|0.172901|0.203007|0.140114|0.302019|0.500000| 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