Version2.1 2020-12-26T21:44:05Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H](C)CN1C(=O)[C@@H]([NH2+]C12CCN(CC2)S(=O)(=O)c3cccc(c3)C(F)(F)F)[C@@H](C)CC C36028170 RHF 6-31G(d) (6D,7F) CC[C@@H](C)CN1C(=O)[C@@H]([NH2+]C12CCN(CC2)S(=O)(=O)c3cccc(c3)C(F)(F)F)[C@@H](C)CC C01[X(C23H35F3N3O3S1)] 198 C1 569 CC[C@H](CN1C(=O)[C@@H]([NH2+]C21CCN(CC2)S(=O)(=O)c1cccc(c1)C(F)(F)F)[C@H](CC)C)C CC[C@H](CN1C(=O)[C@@H]([NH2+]C21CCN(CC2)S(=O)(=O)c1cccc(c1)C(F)(F)F)[C@H](CC)C)C CC[C@@H](C)CN1C(=O)[C@@H]([NH2+]C12CCN(CC2)[S](=O)(=O)c3cccc(c3)C(F)(F)F)[C@@H](C)CC InChIKey=RXAIQWZCCFTHSN-UWVAXJGDSA-O InChI=1S/C23H34F3N3O3S/c1-5-16(3)15-29-21(30)20(17(4)6-2)27-22(29)10-12-28(13-11-22)33(31,32)19-9-7-8-18(14-19)23(24,25)26/h7-9,14,16-17,20,27H,5-6,10-13,15H2,1-4H3/p+1/t16-,17+,20+/m1/s1 InChI=1/C23H34F3N3O3S/c1-5-16(3)15-29-21(30)20(17(4)6-2)27-22(29)10-12-28(13-11-22)33(31,32)19-9-7-8-18(14-19)23(24,25)26/h7-9,14,16-17,20,27H,5-6,10-13,15H2,1-4H3/p+1/t16-,17+,20+/m1/s1/fC23H35F3N3O3S/h27H/q+1 CC[C@@H](C)CN1C(=O)[C@@H]([NH2+]C12CCN(CC2)S(=O)(=O)c3cccc(c3)C(F)(F)F)[C@@H](C)CC C01[X(C23H35F3N3O3S1)] 198 C01 569 CC[C@H](CN1C(=O)[C@@H]([NH2+]C21CCN(CC2)S(=O)(=O)c1cccc(c1)C(F)(F)F)[C@H](CC)C)C CC[C@H](CN1C(=O)[C@@H]([NH2][C@@]21CCN(CC2)[S@]([O])(=O)[C]1[CH][CH][CH][C]([CH]1)C(F)(F)F)[C@H](CC)C)C CC[C@@H](C)CN1C(=O)[C@@H]([NH2]C12CCN(CC2)[S]([O])(=O)[C]3[CH][CH][CH][C]([CH]3)C(F)(F)F)[C@@H](C)CC InChIKey=ADWDSRPAOJSSEG-UWVAXJGDSA-N InChI=1S/C23H35F3N3O3S/c1-5-16(3)15-29-21(30)20(17(4)6-2)27-22(29)10-12-28(13-11-22)33(31,32)19-9-7-8-18(14-19)23(24,25)26/h7-9,14,16-17,20H,5-6,10-13,15,27H2,1-4H3/t16-,17+,20+/m1/s1 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319.57 325.79 331.71 348.70 362.88 365.53 378.81 391.00 404.01 425.59 441.74 463.61 476.21 497.34 512.22 529.73 531.67 567.06 579.80 601.50 645.96 649.79 658.93 674.03 697.75 703.81 727.11 758.73 779.32 782.90 801.57 838.02 864.02 895.74 916.11 944.77 979.01 991.80 1022.87 1031.51 1069.55 1082.47 1105.15 1161.69 1195.98 1204.18 1224.36 1229.00 1256.20 1279.22 1307.75 1310.83 1314.80 1383.63 1393.77 1419.46 1439.23 1461.84 1482.99 1512.43 1515.27 1522.90 1529.32 1555.11 1556.42 1565.25 1568.54 1584.62 1590.62 1616.12 1619.70 1632.08 1638.73 1639.58 1679.74 1694.54 1718.52 1735.03 1755.31 1761.78 1797.55 1800.44 1801.94 1810.76 1817.58 1834.99 1850.87 1877.87 1882.71 1912.84 1915.76 1946.78 1958.31 1988.24 2017.31 2025.00 2028.75 2033.84 2058.05 2071.75 2073.99 2080.70 2092.86 2095.38 2129.55 2131.77 2141.51 2161.34 2177.29 2181.04 2189.99 2194.21 2198.45 2208.37 2230.16 2233.17 2241.67 2257.19 2261.69 2262.85 2265.67 2272.13 2282.64 2296.15 2340.79 2342.73 2345.66 2354.56 2358.30 2361.00 2362.12 2364.26 2368.05 2372.21 2377.72 2378.97 2380.28 2386.36 2390.64 2391.55 2571.78 2614.73 2619.71 2895.43 4565.61 4583.77 4584.54 4588.66 4609.47 4616.71 4621.92 4630.16 4638.29 4644.14 4671.18 4693.85 4702.94 4706.44 4708.24 4710.91 4713.01 4717.85 4727.57 4729.73 4732.15 4733.71 4739.62 4752.01 4753.83 4776.17 4781.99 4785.02 4838.83 4884.05 4907.61 4917.64 4921.00 5285.38 5383.27 0.620406 0.650987 0.651931 0.555391 -1974.245020 -1974.214439 -1974.213495 -1974.310034 3.237934D-04 MUNgauss RevisionA2.0 retrievium 26-Dec-2020 DUDE CC[C@@H](C)CN1C(=O)[C@@H]([NH2+]C12CCN(CC2)S(=O)(=O)c3cccc(c3)C(F)(F)F)[C@@H](C)CC C36028170 RHF 6-31G(d) (6D,10F) C1 490.235124 |X|Y|Z| 126.269469 68.043049 36.687199 68.055865 17 6 7 16 13 3 1 |36.858105| |12.456820|36.858105| |7.377018|12.375134|36.858105| |6.906796|8.917641|17.504908|0.500000| |6.063522|7.462265|12.446029|0.247533|36.858105| |4.901554|7.662467|12.395850|0.246131|7.500005|36.858105| |3.726759|4.951385|7.475588|0.187764|6.263239|12.938116|53.358707| |3.171433|4.025757|5.477053|0.134015|5.486930|7.771510|19.025852|36.858105| |3.151811|3.993679|5.110866|0.118956|5.504618|6.743337|11.362947|16.037724|73.516695| |2.604641|3.123165|4.020601|0.106559|4.058596|5.082710|11.034229|12.495390|14.085235|36.858105| |2.384439|2.856131|3.511715|0.092891|3.434770|4.516967|8.875539|8.948612|11.934227|17.601992|0.500000| |2.695974|3.193260|4.196775|0.119313|4.012109|5.145360|11.469321|8.184385|9.739698|12.680886|0.253451|53.358707| |2.739900|3.162894|4.218154|0.123297|4.217982|4.754793|9.800617|6.902238|8.844953|9.225062|0.182673|25.687953|0.500000| |2.400333|2.787923|3.498982|0.100616|3.320349|4.187474|8.232645|5.938776|7.819299|9.008431|0.229594|25.696863|0.326729|0.500000| |3.190824|3.960379|5.395969|0.156652|4.546540|7.367639|17.827751|8.102652|9.702806|7.798537|0.185828|17.016754|0.254376|0.250539|36.858105| |2.783028|3.427147|4.178608|0.117988|3.495260|5.740685|10.275534|5.959086|8.043637|6.067786|0.177528|10.473491|0.159328|0.208289|12.288211|36.858105| |2.862136|3.486893|3.984851|0.116016|3.183112|5.133103|7.488370|4.292757|6.315882|4.117062|0.117534|6.762909|0.117037|0.136800|7.334083|12.385621|36.858105| |2.909415|3.392327|3.884494|0.121185|3.111823|4.499248|6.470663|3.691400|5.480930|3.607046|0.098509|6.242958|0.115708|0.127636|6.454192|7.616584|13.059459|53.358707| |3.502516|4.078483|4.964104|0.170063|3.824792|5.365820|7.588642|4.052248|5.944442|3.809376|0.098367|6.776785|0.133227|0.129375|7.392657|6.489376|7.873102|17.741743|36.858105| |3.362928|3.957878|5.334027|0.178949|4.404653|5.935894|10.272325|5.247278|7.176329|5.119033|0.123938|10.546897|0.215493|0.185446|12.383379|7.388891|6.509500|10.496043|12.433050|36.858105| |2.367118|2.646138|2.989620|0.092220|2.556447|3.326224|4.966424|3.063699|4.619275|3.196918|0.088603|5.560973|0.105562|0.122773|4.879528|5.644114|7.145919|15.588885|7.176627|5.780749|388.023441| |2.372893|2.565989|2.885445|0.091534|2.501573|3.035962|4.445742|2.755301|4.211548|2.848833|0.076812|4.925901|0.098855|0.106132|4.170968|4.276456|5.012473|10.514080|6.797834|5.434788|94.898237|73.516695| |2.179497|2.454568|2.826359|0.085049|2.495086|3.222004|5.100955|3.275265|4.864235|3.638579|0.103217|6.504644|0.119534|0.156687|5.212272|6.291290|6.473905|10.258865|5.592222|5.554049|94.083094|13.696975|73.516695| |2.105016|2.330441|2.511714|0.075296|2.161228|2.786996|3.979536|2.541405|3.967453|2.609568|0.074265|4.213912|0.079721|0.092006|3.591741|4.339481|5.753681|9.622546|4.769354|3.886451|76.887664|12.906905|13.029957|36.858105| |2.114127|2.298407|2.406480|0.072439|2.059598|2.596958|3.570986|2.277024|3.618923|2.280234|0.064145|3.602114|0.069447|0.076543|3.084152|3.547217|4.690344|7.896986|4.330101|3.402014|49.700315|11.000666|8.743340|13.675311|36.858105| |1.894354|2.042839|2.099002|0.062084|1.821606|2.258082|3.076762|2.006506|3.243382|2.007253|0.056980|3.083291|0.059485|0.065440|2.578868|2.962582|3.746575|5.716806|3.336227|2.751692|33.828080|7.690196|6.796417|7.981913|13.832369|36.858105| |1.726932|1.874167|1.935035|0.056431|1.701780|2.110426|2.915302|1.938591|3.146224|1.965380|0.056639|2.979114|0.056973|0.064000|2.438692|2.859769|3.492881|5.001769|2.923754|2.519075|30.023680|6.552051|6.580762|6.926172|7.939393|13.687294|36.858105| |1.722490|1.891552|1.988528|0.057763|1.757857|2.207836|3.123506|2.092615|3.365056|2.162875|0.063168|3.295972|0.062225|0.072177|2.665694|3.223727|3.864082|5.361155|3.048610|2.697601|33.793945|6.898424|7.914036|7.989176|6.853934|7.921483|13.794663|36.858105| |1.882640|2.089170|2.245043|0.065851|1.969958|2.523222|3.649526|2.408719|3.794710|2.521484|0.073549|3.964052|0.074072|0.088259|3.242475|4.034602|4.937656|7.043688|3.754849|3.307077|49.825660|9.011345|11.710645|13.806640|7.873067|6.847511|7.931840|13.710262|36.858105| |1.550876|1.700878|1.786207|0.051233|1.605299|1.987850|2.832232|1.945100|3.161129|2.033065|0.060164|3.026871|0.057049|0.066664|2.377441|2.858439|3.227652|4.290664|2.546466|2.344050|26.061076|5.473849|6.603515|5.075476|4.445615|5.016571|7.557768|12.649751|7.664893|36.858105| |1.453283|1.580962|1.637038|0.046758|1.476650|1.802923|2.529683|1.745394|2.872573|1.802355|0.053057|2.645674|0.050284|0.057472|2.077835|2.444914|2.753473|3.668696|2.238471|2.054830|21.455125|4.683451|5.305339|4.031047|3.850443|4.627545|6.989520|8.131402|5.278680|14.461289|97.533100| |1.462235|1.592462|1.686796|0.048544|1.535260|1.861539|2.687864|1.863204|3.023542|1.980069|0.058434|2.960174|0.056248|0.065996|2.267376|2.666529|2.902348|3.937028|2.392713|2.251578|24.751797|5.341614|6.523628|4.499603|3.879101|4.176190|5.626377|8.152995|6.458321|14.425353|20.099134|97.533100| |1.579368|1.753351|1.847949|0.052412|1.662348|2.094012|3.003907|2.085852|3.394110|2.189442|0.066000|3.209848|0.059590|0.070889|2.511842|3.105872|3.433386|4.321751|2.558835|2.397528|25.176877|5.153940|6.641272|4.568983|3.880349|4.129036|5.515495|8.166562|6.652335|14.377771|20.083517|20.175470|97.533100| |2.327582|2.680869|3.349072|0.089442|3.626217|3.842417|7.157124|7.264000|11.009840|12.367777|0.244432|10.230470|0.205471|0.178615|5.022754|4.121143|3.116360|3.904364|3.054658|3.959629|18.910871|4.368449|5.350238|2.216260|1.965914|1.754462|1.724735|1.885192|2.159244|1.796341|3.620282|3.995020|4.314236|36.858105| |2.123404|2.405748|2.950420|0.080867|3.118559|3.331806|6.038650|5.467653|8.269950|9.009370|0.211417|9.821989|0.201461|0.195569|4.637567|3.953603|3.018866|3.847269|2.959892|3.818813|19.334960|4.475844|5.623688|2.255568|1.980977|1.767549|1.747645|1.926232|2.217102|1.845376|3.697713|4.154405|4.421726|17.475781|0.500000| |2.500348|2.815260|3.582898|0.096278|4.188632|3.806839|6.741885|6.252857|10.086182|7.449105|0.151857|8.248896|0.195739|0.139915|4.509104|3.515782|2.810911|3.660546|2.990035|3.894225|17.619721|4.213511|4.812073|2.057099|1.859968|1.657561|1.608856|1.730830|1.968237|1.634730|3.324254|3.636433|3.866134|12.418236|0.246550|36.858105| |2.114062|2.425503|2.897598|0.075619|3.144101|3.325289|5.689103|5.790682|10.411876|7.570366|0.200588|6.726096|0.129908|0.125758|3.847367|3.445555|2.706000|3.330554|2.541353|3.093683|16.179666|3.723152|4.525309|1.970372|1.765571|1.603687|1.592991|1.737195|1.951851|1.682453|3.424794|3.733895|4.078774|12.358548|0.247714|7.436328|36.858105| |1.867818|2.083619|2.430527|0.064320|2.670363|2.669577|4.348166|4.030271|7.327229|4.884594|0.130326|5.119814|0.103886|0.099574|3.020955|2.741567|2.248157|2.838197|2.165835|2.581252|14.112642|3.307586|3.924332|1.740397|1.573590|1.441756|1.435807|1.558111|1.731160|1.521135|3.119728|3.409433|3.658612|7.414133|0.191977|6.120772|12.456939|36.858105| |17.582250|8.729261|6.549879|0.166048|6.563350|4.409871|4.782233|3.100985|5.590262|2.555692|0.064445|3.542920|0.074461|0.064196|2.977656|2.566564|2.569129|3.538461|3.102998|3.103258|15.418896|3.878301|3.610672|1.923959|1.917212|1.727664|1.589387|1.593712|1.738934|1.448208|3.056294|3.094038|3.323273|2.339152|0.058976|2.569488|2.135865|1.905444|0.500000| |17.536465|8.763119|6.754463|0.207079|5.467975|4.562449|4.939167|3.031546|5.204710|2.556228|0.064803|3.709378|0.077838|0.067840|3.240670|2.803561|2.928169|4.207203|3.838646|3.595044|17.921381|4.593839|4.058250|2.216399|2.243704|1.989904|1.792860|1.779661|1.954145|1.588094|3.340731|3.377828|3.607210|2.287049|0.058679|2.464592|2.046469|1.817265|0.301458|0.500000| |17.572112|8.825520|5.430668|0.141976|4.606131|4.110223|4.345444|2.777167|4.958097|2.319217|0.059991|3.242544|0.066579|0.059816|2.792599|2.523394|2.640379|3.630389|3.098890|2.910709|15.610165|3.901843|3.580846|2.000419|2.035081|1.848290|1.685052|1.665737|1.798199|1.503537|3.196143|3.176895|3.439652|2.083708|0.053187|2.206480|1.923707|1.712967|0.303007|0.302065|0.500000| |8.853724|17.515944|8.838157|0.174422|6.868184|6.942227|6.277615|4.002635|7.466774|3.055938|0.078512|4.080653|0.081615|0.072953|3.601171|3.198121|3.184434|4.082168|3.446105|3.427409|17.008391|4.073355|4.019873|2.143613|2.104344|1.898324|1.765186|1.788060|1.957251|1.628224|3.421172|3.428750|3.806647|2.649245|0.065382|2.762124|2.462338|2.113158|0.211936|0.172803|0.211615|0.500000| |8.910213|17.502268|8.846848|0.212149|5.478011|7.277543|6.443570|3.771606|6.499376|2.998329|0.077867|4.245814|0.084183|0.076931|3.987529|3.622713|3.893143|5.126798|4.432742|4.010013|20.259748|4.854693|4.597448|2.547808|2.542774|2.254221|2.048767|2.051450|2.261559|1.825603|3.821140|3.804805|4.229222|2.531442|0.063950|2.586796|2.297129|1.971402|0.173234|0.209372|0.218147|0.304094|0.500000| |4.624189|5.442248|8.750798|0.212365|17.558834|6.806431|9.487487|6.375322|10.755785|4.800479|0.107426|6.476167|0.145375|0.105995|5.081987|3.695456|3.227913|4.316056|3.911262|4.865524|18.885003|4.622957|4.708621|2.200687|2.065667|1.817659|1.707194|1.781099|2.014160|1.631475|3.354487|3.538316|3.805721|4.373614|0.102530|5.387520|3.605222|3.029619|0.136108|0.123305|0.102719|0.140201|0.122839|0.500000| |6.743497|6.782029|8.785644|0.214052|17.597948|5.468265|6.425088|4.219944|7.526694|3.370960|0.080746|4.633891|0.101177|0.080619|3.769911|2.994193|2.806733|3.840603|3.471173|3.865941|16.837687|4.212991|4.065700|2.019606|1.950026|1.732751|1.611201|1.650118|1.835283|1.506608|3.136282|3.252998|3.481491|3.128364|0.076691|3.667808|2.746316|2.411811|0.229311|0.172106|0.137949|0.169215|0.138676|0.303621|0.500000| |5.398307|6.760543|8.770550|0.173489|17.557538|6.790453|7.663678|5.462649|10.900091|3.936858|0.094385|4.981721|0.104013|0.085216|4.033180|3.255337|2.945033|3.807421|3.285436|3.709775|16.531020|3.990769|4.079101|2.008392|1.914157|1.714693|1.617318|1.672847|1.857523|1.543228|3.209028|3.315378|3.620719|3.574365|0.084046|4.056720|3.246463|2.750096|0.166204|0.128072|0.121104|0.203547|0.140228|0.301907|0.301394|0.500000| |4.547388|7.018617|8.853257|0.174080|6.823953|17.633807|12.640363|7.724273|14.202209|4.847609|0.123581|6.078883|0.113786|0.103350|5.694681|4.910989|4.361645|5.070335|4.161020|4.523322|20.489612|4.661547|5.049658|2.502245|2.342559|2.080859|1.971455|2.062769|2.318389|1.887370|3.882837|3.971838|4.515071|3.760775|0.089068|3.674078|3.430055|2.733858|0.117092|0.112246|0.109816|0.209650|0.180797|0.167483|0.139874|0.201799|0.500000| |4.666093|7.113539|8.810810|0.213106|5.482319|17.612059|12.454579|5.960065|9.209574|4.420117|0.115106|6.380349|0.117772|0.111322|7.091844|6.387469|6.439328|7.331347|6.184614|5.981787|26.390846|5.876459|6.179268|3.149390|2.950334|2.541842|2.352473|2.448501|2.808726|2.170758|4.419754|4.508309|5.144352|3.357444|0.083607|3.239755|2.948393|2.405239|0.111563|0.123793|0.113113|0.173265|0.225364|0.139689|0.122919|0.139591|0.304309|0.500000| |2.430869|2.889582|3.453333|0.098702|3.023535|4.397799|7.749061|5.013110|6.968347|5.786607|0.177549|10.376641|0.157537|0.249035|8.824330|17.623015|8.987259|9.145814|5.494540|6.351953|43.119931|7.879189|14.328557|4.588304|3.575774|2.995746|2.958769|3.452835|4.460452|3.101567|5.832680|6.636242|7.642176|4.120814|0.115639|3.421152|3.434076|2.774619|0.063083|0.068507|0.061737|0.075477|0.083864|0.090101|0.073548|0.078646|0.108400|0.130500|0.500000| |2.720606|3.406446|4.053477|0.108658|3.445685|5.846773|10.081228|6.523776|9.080438|6.299784|0.201526|8.943019|0.137839|0.172664|8.797267|17.573212|8.849762|7.606455|4.959931|5.484254|31.067068|6.153971|8.541400|3.694262|3.119381|2.704292|2.658183|2.982113|3.577459|2.723639|5.317673|5.674238|6.820272|4.193723|0.108568|3.475995|3.685667|2.864305|0.070096|0.074360|0.069175|0.091312|0.099688|0.099775|0.081085|0.092338|0.150529|0.177851|0.302134|0.500000| |2.498745|2.972224|3.277871|0.094000|2.714283|4.082034|5.903994|3.653812|5.552395|3.622721|0.107244|5.709145|0.099636|0.120551|5.441895|8.877510|17.628019|12.404672|5.678898|4.884560|48.883019|8.266470|11.557213|6.633934|5.125583|4.198077|4.071389|4.696982|6.143534|3.871528|7.246593|7.577919|9.519754|2.828527|0.077292|2.520395|2.521483|2.121975|0.062870|0.070641|0.065217|0.077064|0.091811|0.076351|0.067454|0.071076|0.101715|0.136530|0.225486|0.209458|0.500000| |3.201240|4.036498|4.439430|0.125984|3.387374|5.889298|7.583516|4.266663|6.485370|3.818437|0.107718|5.905225|0.104839|0.114437|6.380176|8.736110|17.610222|12.636009|7.156297|5.692982|38.323854|7.504279|8.466017|4.760515|4.264109|3.530721|3.249099|3.448250|4.124443|2.919209|5.778377|5.850963|6.973764|2.927140|0.077089|2.691151|2.593702|2.157641|0.078161|0.089744|0.082600|0.102092|0.131057|0.092305|0.082518|0.087723|0.139156|0.231232|0.175083|0.217508|0.305421|0.500000| |3.339676|3.662848|4.290272|0.149720|3.459458|4.289764|5.975929|3.395180|5.122063|3.261351|0.084158|5.687857|0.116958|0.111288|5.455865|4.847953|5.690925|12.431786|17.689688|8.868093|49.057877|14.440461|9.110954|4.648425|4.419075|3.368149|2.885721|2.948447|3.581421|2.448265|4.880263|5.235964|5.414500|2.738770|0.074762|2.739834|2.294799|2.000061|0.082771|0.104953|0.082708|0.085926|0.109080|0.098218|0.090632|0.082360|0.096224|0.131553|0.122660|0.108345|0.127200|0.146412|0.500000| |4.213776|5.102687|6.050132|0.211887|4.250377|6.384394|7.845124|4.086138|6.155867|3.609351|0.093288|5.989422|0.117407|0.111050|6.550060|5.815106|7.239997|12.622452|17.613801|8.738634|38.304314|9.077545|7.790584|4.134463|3.956482|3.159783|2.762627|2.821426|3.347135|2.380946|4.792154|4.973780|5.418200|2.901819|0.076410|2.873164|2.466631|2.098165|0.099671|0.128717|0.102643|0.114807|0.162313|0.114972|0.106558|0.100827|0.132838|0.221740|0.130709|0.133605|0.146566|0.219374|0.303659|0.500000| |3.760098|4.329857|6.218761|0.226215|5.315541|6.068090|9.977548|5.207162|7.313840|4.850381|0.112918|9.171722|0.212805|0.154204|8.849522|5.463446|4.903374|7.606218|8.781542|17.582528|31.774154|8.007510|7.612172|3.239123|2.945543|2.440150|2.232317|2.352629|2.798872|2.071839|4.150336|4.501561|4.748574|3.968053|0.104143|4.194360|3.080297|2.601949|0.097878|0.113449|0.087751|0.102052|0.116319|0.169071|0.130743|0.117449|0.127428|0.156638|0.133068|0.124706|0.107837|0.128460|0.210606|0.210777|0.500000| |2.859075|3.239624|4.134270|0.133975|3.651237|4.490522|7.720574|4.481903|6.269263|4.816990|0.118801|10.415874|0.223883|0.208241|8.905930|6.455273|5.649918|9.471873|8.980596|17.545121|45.699897|11.146336|11.826665|4.051702|3.446183|2.773267|2.559753|2.780436|3.467873|2.420718|4.725949|5.330827|5.521268|3.909077|0.109990|3.801126|3.023126|2.572112|0.074537|0.085039|0.070017|0.079790|0.090910|0.113457|0.091704|0.087597|0.101700|0.125322|0.177659|0.134081|0.126841|0.131021|0.220472|0.174169|0.302602|0.500000| |2.284877|2.454133|2.555486|0.078289|2.165959|2.694263|3.645859|2.291420|3.643503|2.263299|0.062668|3.597007|0.070357|0.075202|3.121450|3.443658|4.538357|8.189324|4.784888|3.582828|47.407134|12.065943|8.033925|8.879815|17.747975|8.922842|5.640609|4.944617|5.623123|3.555278|7.146283|7.202902|7.198677|1.957189|0.054464|1.880467|1.746588|1.558494|0.057107|0.068400|0.061026|0.061521|0.075813|0.059994|0.057418|0.055364|0.066717|0.085185|0.094032|0.083595|0.128553|0.118168|0.142849|0.122485|0.087330|0.099542|0.500000| |1.858808|1.977458|2.000031|0.059126|1.740039|2.117022|2.841672|1.858161|3.032576|1.840834|0.051932|2.799803|0.054507|0.058800|2.334714|2.617982|3.251570|4.943820|3.030785|2.503941|27.910068|6.692007|5.695044|5.662211|8.950945|17.745345|8.904880|5.645223|4.940999|4.089849|9.028420|7.884901|7.767724|1.623672|0.045248|1.549094|1.491577|1.348563|0.047030|0.054373|0.050844|0.051061|0.060719|0.047895|0.046353|0.045566|0.054449|0.065936|0.072531|0.067154|0.098188|0.087742|0.086228|0.081507|0.062856|0.069489|0.214878|0.500000| |1.602724|1.727349|1.765967|0.051145|1.566109|1.913458|2.626104|1.765715|2.896355|1.784976|0.051488|2.665497|0.051198|0.056987|2.157807|2.495864|2.969215|4.172462|2.525852|2.211268|24.256546|5.454095|5.473510|4.982718|5.655598|8.910451|17.757621|8.944178|5.647409|6.983278|17.923022|11.863016|11.495018|1.582807|0.044495|1.480662|1.476700|1.340164|0.041130|0.046023|0.043741|0.045516|0.052280|0.043506|0.041359|0.041596|0.050167|0.058810|0.071356|0.065580|0.094572|0.078341|0.069410|0.067256|0.055220|0.062163|0.124180|0.215223|0.500000| |1.841290|2.055729|2.242520|0.065344|1.991044|2.551747|3.793295|2.543454|3.976219|2.735054|0.081022|4.314227|0.079531|0.098790|3.425945|4.356533|4.946020|6.702864|3.653779|3.390292|47.501715|8.438029|13.723114|8.930057|5.620261|4.942097|5.640496|8.875673|17.757528|7.105303|10.807602|14.986503|15.771520|2.335753|0.067421|2.091559|2.106861|1.862463|0.047605|0.052795|0.048562|0.053821|0.061108|0.057159|0.051206|0.052313|0.065397|0.077776|0.142264|0.107182|0.170946|0.111450|0.095170|0.089460|0.079107|0.100617|0.123931|0.107378|0.124089|0.500000| |2.238833|2.460938|3.021962|0.081962|3.518680|3.138048|5.263919|4.649540|7.865318|5.465600|0.123002|6.408613|0.149699|0.116563|3.637389|2.975749|2.447905|3.223505|2.600195|3.273235|15.873690|3.838541|4.336557|1.880160|1.709044|1.535620|1.496535|1.606990|1.811716|1.529451|3.124764|3.426870|3.604629|8.817297|0.216735|17.618892|6.704143|6.760622|0.064367|0.061498|0.055498|0.067368|0.063108|0.120533|0.088981|0.095695|0.084984|0.076054|0.081985|0.081746|0.062003|0.065093|0.067487|0.069307|0.097336|0.090874|0.047924|0.040008|0.038461|0.053476|0.500000| |2.654685|2.959725|3.865397|0.107836|4.491103|3.975652|7.117705|5.898909|8.936009|6.811833|0.138378|9.156463|0.252224|0.151719|4.975716|3.679104|2.968668|3.981930|3.354765|4.558302|19.185592|4.667605|5.201384|2.186896|1.976894|1.742559|1.675708|1.797649|2.061542|1.679094|3.403422|3.740260|3.934818|8.646776|0.207600|17.490086|5.406020|4.622278|0.075499|0.074043|0.064316|0.078611|0.075463|0.167064|0.110587|0.114125|0.101997|0.094239|0.099278|0.097176|0.072877|0.078294|0.086150|0.088142|0.142217|0.125036|0.055985|0.045211|0.042621|0.060586|0.305325|0.500000| |2.717102|3.083327|3.944655|0.102124|4.914371|4.121607|6.996436|6.720785|12.070222|6.595975|0.138758|7.080060|0.159532|0.118692|4.289039|3.362182|2.738219|3.533774|2.909649|3.689419|16.630386|3.978245|4.442086|1.968195|1.800468|1.611600|1.559049|1.663696|1.876368|1.569182|3.212478|3.463293|3.714141|8.763379|0.173261|17.586816|6.830048|5.554043|0.078726|0.073048|0.066192|0.085515|0.077014|0.178848|0.116941|0.137587|0.113817|0.094470|0.088205|0.094330|0.067934|0.074581|0.073745|0.079808|0.112321|0.096385|0.050785|0.042069|0.039991|0.054854|0.301853|0.301230|0.500000| |2.250173|2.608383|3.102568|0.078868|3.433206|3.573690|5.931712|6.308355|12.989802|6.848338|0.178181|6.127797|0.118436|0.111013|3.759033|3.351089|2.673358|3.265232|2.512476|3.014136|15.530083|3.580800|4.250859|1.907128|1.726988|1.572948|1.555833|1.682444|1.877759|1.623714|3.326873|3.572328|3.935186|8.830318|0.174447|6.794610|17.586750|8.833683|0.063546|0.059635|0.056841|0.074934|0.067865|0.107982|0.082186|0.101958|0.106130|0.086294|0.089748|0.101597|0.068779|0.072774|0.062757|0.069107|0.084424|0.079713|0.047672|0.040838|0.040166|0.055698|0.164820|0.139440|0.203801|0.500000| 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