Version2.2 2021-02-10T07:45:51Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 16-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN([C@H](Cc1ccccc1F)C2CC[NH+](CC2)[C@@H]3CCSC3)C(=O)c4ccsc4 C14986359 RHF 6-31G(d) (6D,7F) CN([C@H](Cc1ccccc1F)C2CC[NH+](CC2)[C@@H]3CCSC3)C(=O)c4ccsc4 C01[X(C23H30F1N2O1S2)] 171 C1 503 O=C(N([C@@H](C1CC[NH+](CC1)[C@@H]1CCSC1)Cc1ccccc1F)C)c1ccsc1 O=C(N([C@@H](C1CC[NH+](CC1)[C@@H]1CCSC1)Cc1ccccc1F)C)c1ccsc1 CN([C@H](Cc1ccccc1F)C2CC[NH+](CC2)[C@@H]3CCSC3)C(=O)c4cscc4 InChIKey=ZGYFJHSVHLGNDF-IFMALSPDSA-O InChI=1S/C23H29FN2OS2/c1-25(23(27)19-8-12-28-15-19)22(14-18-4-2-3-5-21(18)24)17-6-10-26(11-7-17)20-9-13-29-16-20/h2-5,8,12,15,17,20,22H,6-7,9-11,13-14,16H2,1H3/p+1/t20-,22-/m1/s1 InChI=1/C23H29FN2OS2/c1-25(23(27)19-8-12-28-15-19)22(14-18-4-2-3-5-21(18)24)17-6-10-26(11-7-17)20-9-13-29-16-20/h2-5,8,12,15,17,20,22H,6-7,9-11,13-14,16H2,1H3/p+1/t20-,22-/m1/s1/fC23H30FN2OS2/h26H/q+1 CN([C@H](Cc1ccccc1F)C2CC[NH+](CC2)[C@@H]3CCSC3)C(=O)c4ccsc4 C01[X(C23H30F1N2O1S2)] 171 C01 503 O=C(N([C@@H](C1CC[NH+](CC1)[C@@H]1CCSC1)Cc1ccccc1F)C)c1ccsc1 CN(C(=O)[C]1=[CH][S][CH]=[CH]1)[C@@H]([C@@H]1CC[N@H](CC1)[C@H]1CSCC1)C[C]1[CH][CH][CH][CH][C]1F CN([C@H](C[C]1[CH][CH][CH][CH][C]1F)[C@@H]2CC[NH](CC2)[C@@H]3CCSC3)C(=O)c4cscc4 InChIKey=PZOQCVNZJKCBFZ-IFMALSPDSA-N InChI=1S/C23H30FN2OS2/c1-25(23(27)19-8-12-28-15-19)22(14-18-4-2-3-5-21(18)24)17-6-10-26(11-7-17)20-9-13-29-16-20/h2-5,8,12,15,17,20,22,26H,6-7,9-11,13-14,16H2,1H3/t20-,22-/m1/s1 InChI=1/C23H30FN2OS2/c1-25(23(27)19-8-12-28-15-19)22(14-18-4-2-3-5-21(18)24)17-6-10-26(11-7-17)20-9-13-29-16-20/h2-5,8,12,15,17,20,22,26H,6-7,9-11,13-14,16H2,1H3/t20-,22-/m1/s1 3123.3202369293 -1966.4496029 1-A 18296.5428 115 388 503 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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 6 7 6 1 6 6 6 6 6 6 6 9 6 6 6 7 1 6 6 6 1 6 6 16 6 6 8 6 6 6 16 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 12.00000 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 31.97207 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 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 9330.2404 26054.8559 31847.7048 0.99997 0.00489 0.00578 -0.00489 0.99999 -0.00019 -0.00578 0.00017 0.99998 1 0.00928 0.00332 0.00272 0.19343 0.06927 0.05667 23.38 31.27 35.62 40.27 50.33 66.59 75.73 95.17 119.20 143.50 165.43 173.28 194.81 210.32 246.83 255.53 298.56 320.51 339.34 359.76 382.68 386.17 419.11 457.71 479.99 518.95 541.79 586.38 596.80 619.05 671.92 689.80 710.68 718.47 732.93 754.50 781.20 786.04 834.19 847.70 888.64 913.41 938.89 959.34 997.37 1053.43 1099.41 1111.11 1140.98 1178.68 1183.25 1215.31 1223.69 1231.19 1245.38 1256.01 1269.66 1293.31 1307.75 1320.07 1346.74 1350.77 1374.19 1376.24 1409.15 1425.14 1436.15 1447.85 1478.96 1506.66 1513.44 1514.49 1550.58 1559.10 1575.60 1614.37 1624.14 1636.49 1643.08 1644.10 1656.01 1674.22 1692.13 1710.15 1730.45 1745.26 1750.78 1761.82 1769.00 1795.29 1805.33 1827.39 1846.93 1876.77 1900.44 1904.02 1942.04 1952.50 1974.70 1980.54 1992.81 2008.00 2015.33 2040.42 2058.32 2066.05 2078.47 2091.64 2101.96 2122.20 2131.48 2143.14 2151.18 2179.57 2196.74 2206.03 2210.22 2242.36 2248.42 2257.49 2257.73 2274.42 2289.65 2318.93 2331.21 2337.59 2345.77 2349.02 2356.17 2360.32 2372.49 2380.04 2382.99 2390.55 2391.47 2408.73 2427.73 2514.18 2576.38 2619.64 2724.02 4572.24 4625.60 4626.63 4629.29 4646.32 4647.94 4656.06 4704.66 4706.73 4710.48 4721.71 4726.18 4746.91 4748.01 4749.28 4778.37 4783.52 4792.36 4814.31 4830.92 4833.79 4844.83 4865.73 4875.54 4885.45 4901.41 4935.52 4968.50 4977.60 5297.59 0.540679 0.566488 0.567432 0.480244 -1965.908924 -1965.883115 -1965.882171 -1965.969359 2.924300D-04 MUNgauss RevisionA2.1 retrievium 10-Feb-2021 DUDE CN([C@H](Cc1ccccc1F)C2CC[NH+](CC2)[C@@H]3CCSC3)C(=O)c4ccsc4 C14986359 RHF 6-31G(d) (6D,10F) C1 433.178361 |X|Y|Z| 114.279274 64.007153 33.760783 62.738793 26 6 7 16 22 2 2 |36.858105| |13.057632|53.358707| |7.494512|17.649584|36.858105| |5.690640|12.769628|17.713716|0.500000| |6.368702|10.225836|12.354633|0.250346|36.858105| |5.760288|8.542959|7.407736|0.189806|12.568766|36.858105| |4.550959|7.229901|6.030466|0.184116|7.481194|13.673849|36.858105| |3.773269|5.581760|4.264480|0.126807|4.985936|7.866349|13.776999|36.858105| |3.666473|5.006235|3.681590|0.103198|4.411401|6.796043|7.942458|13.731179|36.858105| |4.205803|5.369736|3.923649|0.103852|4.992887|7.835299|6.884432|7.946049|13.782198|36.858105| |5.376870|6.808112|5.188363|0.129810|7.541414|13.783469|8.068145|6.966606|8.023323|13.816514|36.858105| |5.559798|6.362235|4.774887|0.113213|6.765624|8.133608|5.308079|4.676201|5.312767|8.183915|14.221926|97.533100| |5.589265|10.280774|12.313610|0.251778|7.464541|4.850529|4.156320|3.208962|2.864855|3.054361|3.843702|8.572112|36.858105| |4.573173|8.447207|7.463887|0.200055|4.881576|3.732948|3.469667|2.802586|2.489162|2.573296|3.067316|6.731392|12.437589|36.858105| |3.516296|5.765632|4.872514|0.130513|3.761746|2.974108|2.775519|2.321692|2.103898|2.180311|2.546631|5.719381|7.519210|12.512635|36.858105| |3.520301|5.329445|4.289702|0.107862|3.512750|2.783153|2.521283|2.141222|1.991299|2.106998|2.467226|5.737108|6.392054|7.598493|12.612318|53.358707| |3.751339|5.572855|4.193016|0.104497|3.375349|2.730679|2.473708|2.118672|1.983069|2.102441|2.448939|5.712584|5.830995|7.124259|9.312320|25.683121|0.500000| |3.932512|5.721210|4.827341|0.114140|4.181478|3.158317|2.745239|2.302111|2.164224|2.343066|2.815213|6.743098|7.515265|6.554590|7.699891|17.196232|0.258765|36.858105| |5.628029|8.310663|7.312923|0.152508|5.936738|4.123437|3.413753|2.770077|2.592589|2.856040|3.578587|8.621446|12.437063|7.683234|6.547277|10.328300|0.197455|12.489714|36.858105| |2.766524|4.064927|3.223798|0.083691|2.796388|2.303108|2.121039|1.842554|1.728083|1.817692|2.084045|4.854594|4.325171|4.929474|7.573830|17.127395|0.258203|7.557932|4.919434|36.858105| |2.589820|3.832603|3.137881|0.082472|2.787520|2.288253|2.115910|1.834977|1.714821|1.798209|2.060967|4.781771|4.209646|4.619170|7.022931|12.439819|0.182176|6.977836|4.603077|17.602165|0.500000| |2.595147|3.641345|2.806139|0.071764|2.521277|2.113804|1.927646|1.698450|1.620674|1.722494|1.962516|4.660521|3.565568|3.777293|4.901922|10.215518|0.195240|6.320944|4.319687|12.428492|0.244805|36.858105| |2.154507|3.026747|2.321906|0.060744|2.117846|1.819930|1.687191|1.507138|1.440369|1.516971|1.700754|4.004818|2.834505|3.036018|3.848278|6.781870|0.131663|4.275023|3.230646|7.786034|0.190748|12.464181|36.858105| |2.057429|2.960353|2.256628|0.060411|2.014510|1.749661|1.652836|1.480160|1.400540|1.454839|1.618269|3.741365|2.728685|3.095481|4.016316|6.394461|0.126534|3.685487|2.933725|7.086297|0.172412|7.049624|10.422365|388.023441| |2.477842|3.673276|2.829237|0.075688|2.429994|2.063689|1.944715|1.711655|1.599927|1.660258|1.871432|4.295441|3.586260|4.363337|6.392620|10.298951|0.197517|4.915983|3.790555|12.423753|0.244926|7.752797|7.126398|74.428627|36.858105| |7.673963|18.916901|7.909657|0.223436|5.268479|4.975682|4.862322|3.967429|3.463066|3.495082|4.077452|8.279881|5.652096|5.678362|3.942455|4.758824|0.102768|3.494759|4.536560|2.752544|0.071900|2.444782|2.081032|14.905319|2.597701|36.858105| |5.317760|11.533843|7.166249|0.249443|4.844067|4.571659|4.843128|3.931325|3.286029|3.190061|3.639619|7.253602|5.461588|5.976258|4.101344|4.657576|0.098017|3.319220|4.104258|2.732505|0.072402|2.371161|2.046520|14.946668|2.624606|15.793184|73.516695| |6.487974|10.381599|4.996269|0.137233|3.900109|3.909007|3.862170|3.445864|3.158525|3.178957|3.506605|7.293970|4.047658|4.178814|3.214032|4.054832|0.089764|2.934491|3.611718|2.436196|0.062990|2.226231|1.925169|13.848943|2.353179|12.725770|14.618273|36.858105| |4.492349|6.948403|3.895515|0.113032|3.236320|3.391135|3.563298|3.359415|3.057285|2.944073|3.088093|6.288662|3.236642|3.388016|2.722805|3.398800|0.074010|2.436167|2.876931|2.111707|0.055247|1.935048|1.711496|12.463153|2.078690|7.524444|11.948642|13.217133|36.858105| |3.795588|5.415497|3.138729|0.088772|2.703542|2.822182|2.909471|2.820972|2.664104|2.595269|2.669541|5.579662|2.724563|2.854505|2.392410|3.061333|0.067228|2.185728|2.520073|1.941726|0.050568|1.810459|1.617867|11.789919|1.930824|5.150548|8.233207|8.221980|14.195402|36.858105| |4.107669|5.413040|3.064235|0.082842|2.644778|2.681116|2.633270|2.511968|2.439568|2.475364|2.594046|5.644805|2.744710|2.857887|2.436509|3.231407|0.072624|2.311728|2.660717|2.046989|0.052507|1.945584|1.725378|12.441082|2.027580|4.732225|7.094067|7.455172|7.469013|11.040941|388.023441| |6.248150|8.251925|4.163397|0.108902|3.398527|3.342429|3.180518|2.898327|2.769617|2.870157|3.147459|6.869138|3.625125|3.734672|3.022019|3.996422|0.090903|2.888377|3.488756|2.427985|0.061827|2.275382|1.964167|14.018513|2.351683|7.413738|9.615681|14.091749|8.231375|7.738245|78.928368|36.858105| |17.714515|12.419894|7.320437|0.149931|7.664432|6.731538|4.789219|3.923721|3.921362|4.782021|6.666143|17.303355|5.520330|4.197661|3.340210|4.626382|0.097763|3.999554|5.816424|2.704965|0.071469|2.565369|2.128417|14.202861|2.375373|5.739367|7.894429|4.826714|3.675799|3.175414|23.976448|4.638720|0.500000| |17.558384|12.219590|5.999722|0.130926|5.031551|4.407590|3.634253|3.106104|3.045158|3.449579|4.217742|10.243731|5.282196|4.550977|3.632510|5.191606|0.117296|4.231484|5.939577|2.976760|0.075694|2.845693|2.328048|15.668524|2.656698|6.340929|8.223498|5.899237|4.115352|3.644791|30.036006|6.505657|0.303483|0.500000| |17.662878|12.340508|5.719132|0.133959|5.206556|5.385264|4.491404|3.940497|3.943616|4.502100|5.383005|12.031699|4.337508|3.772563|2.991189|4.037154|0.087783|3.220634|4.268874|2.412255|0.063009|2.284069|1.937596|13.277971|2.208996|7.150796|8.873104|7.171729|5.054343|4.320724|33.322700|7.033936|0.304766|0.301440|0.500000| |4.718932|7.589128|8.991709|0.223819|17.530115|8.958509|6.725077|4.613255|3.995913|4.331553|5.958395|12.133036|7.038750|4.720573|3.793422|4.716928|0.089706|4.123058|5.417455|2.812385|0.079876|2.503415|2.122640|14.379203|2.432387|4.360453|7.636596|3.316402|2.853213|2.411625|16.622729|2.910665|0.149844|0.111070|0.111757|0.500000| |6.554823|8.862387|8.688380|0.174559|17.632750|8.936740|5.579447|4.185074|3.990649|4.795928|7.342975|18.375011|6.784365|4.442681|3.605378|4.855594|0.095578|4.484013|6.545926|2.852097|0.078635|2.638798|2.192029|14.491904|2.430156|4.531998|7.172677|3.571182|2.944865|2.531573|18.178436|3.269125|0.251182|0.149869|0.144607|0.306240|0.500000| |4.195808|7.181351|6.375630|0.223887|6.927974|8.911269|17.712688|8.965356|5.657120|4.957686|5.699109|9.587358|4.449876|3.821835|3.009404|3.600217|0.071470|2.823122|3.462545|2.218509|0.061791|1.980379|1.737367|12.249347|2.048294|5.093484|9.848372|3.884614|3.625992|2.912403|18.451377|3.133843|0.118156|0.095672|0.112161|0.189072|0.139953|0.500000| |3.236152|4.863683|3.697689|0.113427|4.072957|5.620066|8.935795|17.733050|8.903945|5.649559|5.001692|8.325919|2.889778|2.611537|2.188393|2.720864|0.054920|2.111622|2.485073|1.738824|0.048204|1.597656|1.431123|10.091157|1.634857|3.625838|6.642348|3.217179|3.270110|2.760373|17.062165|2.697378|0.091150|0.076018|0.093938|0.108539|0.096183|0.216827|0.500000| |3.118448|4.220290|3.063370|0.086338|3.532590|4.913026|5.646257|8.897362|17.731699|8.941529|5.685183|9.622708|2.471289|2.196588|1.887538|2.441250|0.049743|1.930292|2.266095|1.576327|0.043451|1.486841|1.333319|9.246047|1.471383|2.996548|5.104817|2.827474|2.815123|2.513381|16.287370|2.519524|0.091101|0.073995|0.094060|0.090924|0.090828|0.124358|0.214240|0.500000| |3.766469|4.633949|3.328583|0.087232|4.098435|5.623882|4.960678|5.629236|8.845403|17.743492|8.976473|16.863658|2.703810|2.307244|1.992849|2.661524|0.054419|2.175722|2.607659|1.706272|0.046807|1.637899|1.449482|9.832865|1.560604|3.039247|4.911986|2.857273|2.662843|2.412990|16.679156|2.661856|0.119020|0.088806|0.113228|0.100659|0.114854|0.107649|0.123672|0.212911|0.500000| |4.429422|7.599502|8.979623|0.219661|7.213263|4.684041|4.092124|3.155240|2.795568|2.954351|3.688219|8.161261|17.483363|8.948029|6.954452|7.838425|0.136931|6.943153|8.940900|4.205403|0.120636|3.434122|2.786730|19.003399|3.449982|4.506614|8.158338|3.375266|2.829184|2.409645|17.007695|3.028544|0.127219|0.115243|0.100569|0.226024|0.179497|0.124039|0.079505|0.067171|0.072625|0.500000| |4.063075|7.675269|6.877189|0.218859|4.625213|3.700494|3.622517|2.919717|2.529027|2.547805|2.984520|6.349811|8.776845|17.599486|8.991443|7.574388|0.145174|4.899926|5.541376|4.116292|0.111095|3.209735|2.698681|20.084451|3.858994|5.695096|12.126232|4.131777|3.496504|2.893093|19.787517|3.539950|0.103796|0.108292|0.097047|0.128199|0.111807|0.115666|0.076946|0.062145|0.062919|0.213834|0.500000| |5.058481|9.357865|6.766169|0.176402|4.439032|3.563878|3.317646|2.735919|2.459382|2.547303|3.002487|6.620442|8.803790|17.546895|8.888374|9.310963|0.208663|5.735195|6.888456|4.574912|0.113448|3.672887|2.958429|21.632110|4.243175|6.682659|11.731835|5.010212|3.875352|3.258651|23.733868|4.547806|0.121364|0.145662|0.115996|0.113493|0.114483|0.099400|0.070880|0.060613|0.063867|0.174175|0.305566|0.500000| |3.145125|5.090064|4.509848|0.123671|3.689486|2.910624|2.734389|2.286258|2.064314|2.131096|2.483642|5.559503|6.770254|8.765313|17.602371|12.423057|0.182112|7.037883|5.771225|7.038161|0.215680|4.602447|3.755703|27.541694|5.758803|3.460321|6.506193|2.830803|2.455868|2.163612|15.457980|2.639997|0.085378|0.088267|0.075226|0.108173|0.097849|0.082987|0.060085|0.051505|0.054075|0.205261|0.213089|0.173133|0.500000| |3.130712|5.071779|4.052725|0.112246|3.187442|2.631878|2.512678|2.144149|1.945386|1.993866|2.283223|5.092243|5.490003|8.840934|17.678387|12.327975|0.224184|5.615890|4.913233|7.090624|0.175800|4.638751|3.853631|31.159009|7.490309|3.665318|6.912573|3.100267|2.683734|2.385477|17.228629|2.936590|0.081344|0.090399|0.075993|0.088711|0.084514|0.075849|0.056871|0.048976|0.050896|0.141729|0.215413|0.216119|0.301414|0.500000| |3.434466|5.059017|4.473410|0.109395|4.085734|3.083808|2.705230|2.267447|2.121619|2.283427|2.732690|6.492940|6.765706|5.770800|7.032303|12.425367|0.182078|17.603938|8.768283|7.021718|0.213845|5.722835|4.151258|25.397389|4.603095|3.143847|5.455474|2.633009|2.238120|2.006219|14.813941|2.548895|0.099103|0.098843|0.079890|0.118219|0.120407|0.077887|0.058011|0.052638|0.058816|0.204819|0.128846|0.133009|0.212485|0.144010|0.500000| |3.663269|5.023778|4.011140|0.095436|3.637816|2.855879|2.475885|2.118952|2.028328|2.215729|2.632266|6.449793|5.490472|4.919340|5.614488|12.337188|0.224212|17.682614|8.839756|7.059691|0.174053|7.354317|4.673893|26.530559|4.638805|3.100960|5.153518|2.705721|2.261486|2.066848|15.829690|2.738144|0.104488|0.112809|0.084709|0.098243|0.111579|0.069563|0.054007|0.050656|0.058029|0.141571|0.108041|0.128836|0.144046|0.126508|0.301458|0.500000| |6.739597|9.162673|6.646365|0.139920|5.235345|3.917406|3.265366|2.703478|2.563778|2.836298|3.506393|8.522540|8.807283|6.895824|5.733247|9.311063|0.208427|8.895539|17.543596|4.569722|0.113184|4.199145|3.149183|20.494759|3.690915|4.946276|7.516639|4.074679|3.130734|2.766112|21.484643|4.104902|0.179988|0.223780|0.136866|0.126040|0.159931|0.090676|0.067422|0.062591|0.072607|0.174132|0.140511|0.203071|0.133064|0.128729|0.173314|0.216518|0.500000| |5.514934|7.450463|6.626336|0.137899|6.516145|4.421917|3.500090|2.847158|2.717747|3.077294|3.952238|10.013470|8.732320|5.531002|4.901002|7.588079|0.145155|9.034978|17.580908|4.119888|0.110990|3.835387|2.953254|18.661235|3.222061|4.021762|6.432625|3.281988|2.662990|2.353342|17.638413|3.185460|0.175986|0.156221|0.117538|0.164484|0.229415|0.095731|0.069932|0.065629|0.078546|0.213157|0.122990|0.140083|0.129083|0.108016|0.214669|0.216736|0.303962|0.500000| |2.735597|3.774597|2.816517|0.071458|2.503154|2.116761|1.925334|1.703095|1.633079|1.740890|1.979698|4.720057|3.506005|3.743186|4.612028|9.531464|0.213613|5.872615|4.324672|8.837339|0.173627|17.525016|8.837047|43.846952|6.882958|2.541853|4.314196|2.354206|2.028896|1.913783|14.899716|2.455864|0.074104|0.085345|0.066958|0.067704|0.073028|0.054619|0.044426|0.041659|0.046123|0.090634|0.087586|0.105717|0.114323|0.123539|0.137313|0.195704|0.124045|0.105646|0.500000| |2.621417|3.618495|2.825519|0.071357|2.609556|2.172576|1.956650|1.722114|1.653920|1.773942|2.032510|4.892762|3.579407|3.573883|4.431266|8.938817|0.165094|6.778281|4.509483|8.679150|0.213754|17.610769|8.849147|37.147489|5.559313|2.381246|4.074960|2.157345|1.872535|1.748792|13.347406|2.200182|0.073517|0.079498|0.063816|0.072296|0.077324|0.055393|0.044739|0.042070|0.047018|0.097387|0.084459|0.095006|0.119747|0.111540|0.177543|0.245747|0.118650|0.116150|0.301094|0.500000| |2.043529|2.824810|2.131987|0.055664|1.961041|1.706523|1.581654|1.424626|1.371543|1.447536|1.612627|3.815353|2.539899|2.688290|3.260065|5.614041|0.114000|3.683496|2.909492|5.644836|0.138665|8.780621|17.643018|56.072498|5.440347|1.948347|3.379349|1.830713|1.633788|1.560067|11.938889|1.890040|0.056051|0.061728|0.051493|0.054167|0.056671|0.044939|0.037589|0.035415|0.038660|0.068743|0.066796|0.074135|0.087305|0.090979|0.097762|0.114505|0.080518|0.075014|0.222162|0.199932|0.500000| |2.027251|2.852831|2.222536|0.058418|2.061790|1.773463|1.646502|1.472700|1.407757|1.481439|1.658462|3.904254|2.701896|2.835466|3.565603|6.020837|0.112450|4.008497|3.042057|6.597690|0.188794|8.796000|17.622751|56.130826|5.775109|1.955064|3.438931|1.798028|1.609197|1.516996|11.392799|1.817403|0.056245|0.060062|0.050769|0.058123|0.059314|0.047121|0.038889|0.036237|0.039350|0.075555|0.070975|0.075232|0.100830|0.097532|0.113980|0.120141|0.080498|0.078846|0.174440|0.222003|0.302089|0.500000| |2.374973|3.594126|2.810763|0.076980|2.405903|2.052560|1.961586|1.725036|1.597664|1.641799|1.843413|4.177771|3.537720|4.430062|6.621413|8.772242|0.161360|4.394006|3.533119|8.700629|0.219513|5.608782|5.417146|56.520380|17.647609|2.582812|4.754216|2.317991|2.074413|1.913586|14.018142|2.273370|0.063213|0.069410|0.059167|0.067738|0.065741|0.058071|0.046083|0.040847|0.042666|0.096634|0.113873|0.116181|0.175614|0.236582|0.119296|0.110799|0.093783|0.083893|0.138748|0.124043|0.119861|0.134538|0.500000| |2.617063|3.874076|2.891273|0.077148|2.438339|2.087029|1.969143|1.737497|1.625959|1.686435|1.896913|4.347189|3.598661|4.508012|6.171788|9.808908|0.220746|4.667973|3.805884|8.783984|0.174181|6.619708|5.814298|56.078468|17.558197|2.780204|4.950169|2.557416|2.243834|2.095837|15.851062|2.591300|0.068428|0.079076|0.064974|0.066621|0.067577|0.057469|0.046095|0.041559|0.044046|0.092772|0.109722|0.129497|0.142251|0.210786|0.115419|0.123465|0.107494|0.088669|0.191197|0.135918|0.136244|0.129065|0.301368|0.500000| |3.989983|6.417668|3.842218|0.116774|3.231736|3.454982|3.820690|3.647009|3.203862|2.977214|3.081560|6.117653|3.156941|3.303952|2.655946|3.249339|0.069519|2.330374|2.731114|2.032715|0.053810|1.846440|1.644255|12.030901|2.004169|6.852663|12.640541|8.606074|17.782154|8.904031|37.733473|5.738194|0.094209|0.099497|0.121438|0.080554|0.079926|0.110908|0.101683|0.082207|0.073814|0.078321|0.097979|0.101536|0.067607|0.072780|0.060404|0.059606|0.080357|0.070597|0.053156|0.049726|0.043411|0.043247|0.056229|0.059440|0.500000| 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