Version2.0 2019-11-28T03:55:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 06-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H](c1ccccc1)C(=O)N(C)[C@H]([C@@H](C)c2ccccc2)C(=O)NCS(=O)(=O)c3ccc(cc3)C C36527410 RHF 6-31G(d) (6D,7F) CC[C@@H](c1ccccc1)C(=O)N(C)[C@H]([C@@H](C)c2ccccc2)C(=O)NCS(=O)(=O)c3ccc(cc3)C C01[X(C29H34N2O4S1)] 204 C1 612 CC[C@H](C(=O)N([C@H]([C@H](c1ccccc1)C)C(=O)NCS(=O)(=O)c1ccc(cc1)C)C)c1ccccc1 CC[C@H](C(=O)N([C@H]([C@H](c1ccccc1)C)C(=O)NCS(=O)(=O)c1ccc(cc1)C)C)c1ccccc1 CC[C@H](C(=O)N(C)[C@H]([C@@H](C)c1ccccc1)C(=O)NC[S](=O)(=O)c2ccc(C)cc2)c3ccccc3 InChIKey=HFRMRYQCGADONX-WDDWZANVSA-N InChI=1S/C29H34N2O4S/c1-5-26(24-14-10-7-11-15-24)29(33)31(4)27(22(3)23-12-8-6-9-13-23)28(32)30-20-36(34,35)25-18-16-21(2)17-19-25/h6-19,22,26-27H,5,20H2,1-4H3,(H,30,32)/t22-,26-,27+/m0/s1 InChI=1/C29H34N2O4S/c1-5-26(24-14-10-7-11-15-24)29(33)31(4)27(22(3)23-12-8-6-9-13-23)28(32)30-20-36(34,35)25-18-16-21(2)17-19-25/h6-19,22,26-27H,5,20H2,1-4H3,(H,30,32)/t22-,26-,27+/m0/s1/f/h30H CC[C@@H](c1ccccc1)C(=O)N(C)[C@H]([C@@H](C)c2ccccc2)C(=O)NCS(=O)(=O)c3ccc(cc3)C C01[X(C29H34N2O4S1)] 204 C01 612 CC[C@H](C(=O)N([C@H]([C@H](c1ccccc1)C)C(=O)NCS(=O)(=O)c1ccc(cc1)C)C)c1ccccc1 CC[C@H](C(=O)N([C@H]([C@H](c1ccccc1)C)C(=O)NC[S@@](=O)(c1ccc(cc1)C)O)C)c1ccccc1 CC[C@H](C(=O)N(C)[C@H]([C@@H](C)c1ccccc1)C(=O)NC[S](O)(=O)c2ccc(C)cc2)c3ccccc3 InChIKey=KOQHNYYSHPXGFF-UHFFFAOYSA-N InChI=1S/C26H23N3O5S2/c27-35(31,32)23-15-13-22(14-16-23)29-36(33,34)24-17-11-21(12-18-24)28-26(30)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-18,25,29H,(H,28,30)(H2,27,31,32) InChI=1/C26H23N3O5S2/c27-35(31,32)23-15-13-22(14-16-23)29-36(33,34)24-17-11-21(12-18-24)28-26(30)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-18,25,29H,(H,28,30)(H2,27,31,32)/f/h28H,27H2 4413.6508213765 -1923.8099489 1-A 15828.4403 135 477 612 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14024.4180 19116.0638 22793.5446 0.99974 0.02108 0.00882 -0.02119 0.99969 0.01339 -0.00853 -0.01358 0.99987 1 0.00618 0.00453 0.00380 0.12869 0.09441 0.07918 24.85 35.54 38.69 48.32 49.74 56.02 57.31 65.27 83.66 86.75 98.24 107.25 114.04 123.30 141.47 167.25 176.98 214.19 238.51 243.34 254.22 266.27 277.45 312.08 333.27 363.12 374.39 380.29 388.53 395.20 414.81 428.16 446.19 479.94 499.52 508.57 513.22 534.65 574.28 594.37 617.71 649.07 655.92 658.95 662.56 691.42 717.33 750.80 778.32 804.47 812.23 820.39 874.14 896.52 909.31 913.02 975.06 977.99 981.27 1000.59 1061.50 1122.15 1124.68 1129.69 1132.15 1152.08 1189.84 1218.00 1222.49 1228.65 1233.18 1275.85 1288.91 1335.85 1337.81 1359.11 1377.93 1383.97 1397.47 1402.09 1432.76 1448.92 1497.64 1507.73 1541.87 1565.25 1566.79 1577.57 1585.92 1587.51 1597.95 1603.51 1604.92 1610.36 1614.06 1617.11 1622.93 1631.01 1635.23 1640.45 1682.02 1685.86 1692.26 1703.19 1716.30 1719.03 1719.31 1727.62 1730.98 1755.30 1772.24 1780.42 1796.10 1804.24 1813.21 1867.86 1881.20 1882.47 1883.96 1888.17 1895.90 1906.00 1919.19 1919.79 1936.47 1985.21 1996.09 2013.54 2053.70 2061.73 2074.13 2098.23 2105.98 2117.30 2129.93 2151.24 2173.08 2186.41 2194.63 2209.36 2242.42 2254.26 2254.87 2257.07 2285.58 2292.74 2329.16 2332.99 2337.74 2347.40 2351.08 2353.01 2353.08 2364.23 2366.60 2374.31 2376.62 2393.65 2400.86 2404.44 2410.93 2474.44 2539.67 2560.34 2562.40 2598.35 2598.79 2603.26 2747.17 2827.24 4601.02 4615.83 4628.65 4649.50 4671.75 4676.09 4681.18 4699.62 4699.92 4715.05 4715.09 4724.01 4729.44 4743.83 4745.47 4772.55 4819.93 4821.08 4821.67 4827.09 4839.08 4842.05 4842.24 4847.53 4856.91 4860.58 4861.63 4869.10 4879.61 4886.66 4888.64 4902.06 4919.19 5581.23 0.626362 0.659808 0.660752 0.557481 -1923.183587 -1923.150141 -1923.149197 -1923.252468 3.463726D-04 MUNgauss RevisionA1.9 retrievium 28-Nov-2019 DUDE CC[C@@H](c1ccccc1)C(=O)N(C)[C@H]([C@@H](C)c2ccccc2)C(=O)NCS(=O)(=O)c3ccc(cc3)C C36527410 RHF 6-31G(d) (6D,10F) C1 506.223902 |X|Y|Z| 55.195282 70.868167 88.088291 70.106311 27 6 7 16 24 2 1 |36.858105| |12.468446|36.858105| |7.429299|12.350747|36.858105| |6.995605|8.946381|17.588071|0.500000| |6.114663|7.464921|12.484614|0.248683|36.858105| |5.368847|5.427875|7.510199|0.204173|13.692216|36.858105| |4.113099|4.051449|4.987868|0.133154|7.875094|13.721571|36.858105| |3.633659|3.724472|4.406473|0.110910|6.810103|7.931757|13.758422|36.858105| |3.845741|4.226425|4.992867|0.116688|7.892938|6.897557|7.957597|13.734825|36.858105| |4.803456|5.857069|7.502152|0.155838|13.673078|7.963035|6.878112|7.919411|13.757817|36.858105| |4.894937|7.589908|12.403310|0.245407|7.588153|5.180386|3.958211|3.760911|4.436381|6.405447|36.858105| |4.484371|6.977786|8.040619|0.166574|5.882332|4.176482|3.404858|3.391209|4.133782|5.798881|15.824905|73.516695| |3.809457|5.088565|7.554984|0.197338|5.826858|4.593751|3.653185|3.434113|3.864842|5.030385|13.972435|15.219548|53.358707| |3.059925|3.939455|4.972526|0.129335|4.183753|3.450670|2.937388|2.871633|3.251731|3.990974|7.975879|12.993511|17.713567|36.858105| |3.534445|4.291081|6.345026|0.194840|5.522429|4.963439|3.938133|3.517547|3.698156|4.502974|7.592306|9.442473|17.773939|7.562220|36.858105| |4.090753|4.832344|7.710462|0.265213|6.884152|6.540677|4.773187|4.005062|4.078954|5.020897|7.381469|8.973761|12.584661|5.606538|17.711991|0.500000| |3.079714|3.565736|4.654940|0.150727|3.969681|3.781004|3.126014|2.788028|2.858571|3.331705|5.247300|7.315708|10.260992|6.043324|12.285936|0.247476|36.858105| |2.677710|3.101170|3.891101|0.118801|3.419578|3.226744|2.768979|2.542177|2.630762|3.012337|4.588563|6.779978|9.026096|6.385624|8.893226|0.176252|17.611795|0.500000| |3.318945|3.861461|4.706840|0.156533|3.697837|3.443836|2.812633|2.516850|2.608726|3.086382|5.212717|7.508916|8.922126|5.460297|7.449370|0.182537|12.420905|0.248630|36.858105| |2.821535|3.074204|3.880844|0.127957|3.555140|3.668578|3.123861|2.712868|2.663971|2.977387|3.955567|5.717155|6.767432|4.145128|7.572933|0.201355|12.473096|0.250327|7.478678|36.858105| |2.367870|2.552943|3.127603|0.097957|2.998683|3.121331|2.801474|2.491008|2.425484|2.623878|3.239644|4.873159|5.453646|3.607053|5.592761|0.144154|7.528920|0.205585|5.116732|13.703147|36.858105| |2.162774|2.264087|2.697194|0.084046|2.651708|2.846778|2.632568|2.328745|2.216895|2.340216|2.701026|4.144433|4.311268|2.870330|4.138397|0.113733|4.994260|0.133910|3.913600|7.880836|13.732800|36.858105| |2.253552|2.296069|2.698324|0.085671|2.657736|2.935419|2.707424|2.339537|2.190389|2.305850|2.598327|3.981948|4.000107|2.599825|3.762491|0.109502|4.402235|0.111386|3.716794|6.803241|7.927946|13.763360|36.858105| |2.635182|2.653547|3.139900|0.103725|3.024749|3.382528|3.000505|2.523366|2.362815|2.536006|2.926089|4.402418|4.439510|2.779178|4.223904|0.129362|4.977927|0.117083|4.380907|7.876090|6.892397|7.961700|13.735225|36.858105| |3.033311|3.154876|3.885025|0.134024|3.573814|3.874087|3.259340|2.734666|2.621101|2.909634|3.650110|5.306958|5.718901|3.430305|5.808794|0.180835|7.466457|0.156420|6.311771|13.664469|7.975722|6.895731|7.930198|13.759416|36.858105| |2.915111|3.409871|4.675182|0.132947|4.743487|4.471949|3.907499|3.637855|3.777548|4.277878|5.439165|7.667751|10.650666|6.377893|12.373588|0.247667|7.516146|0.200862|4.894271|6.221022|5.685848|4.272842|3.679089|3.815281|4.724173|36.858105| |2.504873|2.906686|3.740563|0.105177|3.718170|3.499567|3.175813|3.049902|3.188996|3.516057|4.464397|6.758578|8.520299|6.288970|7.946575|0.164202|6.527509|0.208308|4.429311|5.448263|5.555703|4.151459|3.422976|3.397761|4.051135|15.907093|73.516695| |2.942739|3.338474|4.553706|0.126718|5.256540|5.303927|4.922727|4.582536|4.553327|4.847993|4.795304|6.925292|7.906746|4.714264|7.762505|0.212396|5.250865|0.135207|3.858600|5.005273|4.734271|3.941280|3.541486|3.655448|4.264299|14.020491|15.094858|53.358707| |2.479213|2.751002|3.498195|0.095462|4.075326|4.165261|4.273195|4.290296|4.194803|4.092357|3.684926|5.704615|5.768356|3.818766|5.010930|0.135089|3.911540|0.106657|3.043438|3.859050|3.948323|3.490230|3.110804|3.069837|3.370393|7.819824|12.232191|18.182733|36.858105| |2.154155|2.300304|2.809105|0.079373|3.186171|3.454638|3.656938|3.528587|3.244980|3.101606|2.846176|4.468644|4.369401|2.937649|3.865463|0.107426|3.375282|0.092406|2.675382|3.646881|4.020617|3.872439|3.431792|3.196339|3.281309|5.262836|8.892079|9.528220|10.570258|388.023441| |1.917084|2.037592|2.415647|0.067038|2.739194|2.913929|3.165389|3.210194|2.982434|2.769919|2.462565|3.982425|3.688158|2.560542|3.084031|0.085032|2.734045|0.076040|2.253590|2.874036|3.137315|3.068804|2.769848|2.586943|2.629679|3.990594|7.060445|6.734385|7.392066|94.130841|73.516695| |2.065145|2.207632|2.685361|0.077690|2.902648|3.110096|3.133375|2.940980|2.763163|2.747427|2.757283|4.307330|4.364154|2.976310|3.999024|0.107961|3.745136|0.104986|2.886557|4.259906|5.172930|5.069525|4.145679|3.637080|3.678677|5.403259|9.724404|8.334264|7.218395|94.427678|13.555109|73.516695| |2.303598|2.378438|2.883822|0.082828|3.377945|3.967945|4.452009|4.038768|3.424351|3.189482|2.753293|4.285478|4.054373|2.620315|3.592275|0.107274|3.149635|0.082427|2.580923|3.529507|3.707461|3.766186|3.634912|3.477151|3.434235|4.358474|6.844730|7.974166|6.699043|76.550920|12.996796|13.033206|36.858105| |2.199313|2.236514|2.637050|0.074275|3.153123|3.716130|4.486040|4.273130|3.478050|3.081202|2.487199|3.954959|3.542455|2.315729|2.990242|0.089491|2.621140|0.068871|2.229962|2.848462|2.925865|2.975482|2.943466|2.871568|2.829192|3.486521|5.568183|6.168172|5.259071|49.502980|11.485073|8.843140|13.728526|36.858105| |2.216303|2.190744|2.527298|0.071778|3.016512|3.669584|4.547282|4.163471|3.279326|2.900972|2.318082|3.700369|3.230170|2.096843|2.695719|0.082263|2.403351|0.062400|2.100202|2.631059|2.649836|2.743281|2.826654|2.811554|2.713183|2.979700|4.737733|5.038947|3.953575|33.681976|7.848845|6.837673|7.965096|13.778542|36.858105| |2.338356|2.267351|2.611749|0.076134|3.057915|3.841532|4.555085|3.848438|3.065548|2.818008|2.345494|3.701817|3.267106|2.091015|2.773794|0.086450|2.523768|0.064465|2.222165|2.843925|2.829615|2.998693|3.228668|3.262378|3.050192|2.958704|4.650468|4.861787|3.568108|29.778976|6.542823|6.552935|6.853455|7.889181|13.679061|36.858105| |2.464043|2.416206|2.852698|0.085460|3.264599|4.123394|4.521988|3.679124|3.032815|2.903760|2.567575|3.972908|3.661071|2.310734|3.239448|0.102295|2.988619|0.075282|2.570651|3.524751|3.522762|3.817734|4.217177|4.244542|3.853330|3.447211|5.334347|5.631917|3.948187|33.685793|6.817021|7.845492|7.968272|6.873954|7.955232|13.693766|36.858105| |2.441692|2.479009|3.015245|0.089867|3.440205|4.190550|4.458158|3.749164|3.184813|3.083213|2.805016|4.294545|4.139934|2.616179|3.799167|0.117544|3.450105|0.087724|2.825509|4.121261|4.281029|4.553055|4.660985|4.480160|4.225297|4.318391|6.624697|7.374072|5.245293|49.524490|8.805760|11.467277|13.737138|7.902330|6.868671|7.885431|13.764809|36.858105| |2.238245|2.113380|2.355049|0.068683|2.705146|3.351019|3.898224|3.336496|2.701060|2.498020|2.093114|3.347275|2.864695|1.847400|2.375030|0.073789|2.202152|0.056298|2.000303|2.457571|2.416279|2.572591|2.831485|2.908872|2.689881|2.452609|3.904404|3.871622|2.801941|22.358944|5.100986|5.106939|4.440966|5.015864|7.554539|12.612389|7.550667|5.012361|36.858105| |17.520539|8.753949|6.756863|0.208598|5.460554|5.244894|3.969122|3.370594|3.428350|4.148883|4.549162|7.122600|5.098141|2.984034|3.635820|0.119288|3.276037|0.077697|3.602551|3.066257|2.528394|2.321620|2.462753|2.953857|3.417481|2.940621|4.479595|4.003382|2.454960|15.460398|3.404094|3.758349|2.348539|2.215888|2.247957|2.421572|2.596118|2.548780|2.329505|0.500000| |17.555340|8.830402|5.446394|0.142677|4.644523|4.152262|3.408642|3.120816|3.317967|3.986194|4.087978|7.050828|4.440236|2.738003|2.998636|0.093183|2.688620|0.066239|2.936221|2.471663|2.109751|1.942971|2.021779|2.334186|2.640217|2.527347|3.949956|3.448617|2.185072|13.663454|3.081898|3.287493|2.039729|1.965390|1.987574|2.086752|2.175542|2.147191|2.025163|0.302131|0.500000| |17.568736|8.740756|6.658152|0.169956|6.708866|6.258384|4.892070|4.273428|4.419971|5.340865|4.440062|7.222466|4.817579|2.859193|3.365603|0.109459|2.880275|0.070057|2.981803|2.698735|2.302588|2.127569|2.223257|2.575440|2.904558|2.879559|4.375473|4.096484|2.565468|15.884951|3.549016|3.742114|2.435590|2.364020|2.410897|2.536539|2.624392|2.564660|2.440204|0.301415|0.302156|0.500000| |8.831640|17.609708|8.834139|0.174984|6.856904|4.858521|3.871978|3.778293|4.527018|6.374487|6.901234|13.180983|6.303257|3.794011|3.803587|0.114707|3.141749|0.078199|3.314686|2.717074|2.319078|2.067657|2.075698|2.346539|2.734502|3.183614|4.911238|4.299452|2.675436|15.751739|3.546593|3.732789|2.267000|2.163445|2.110361|2.145717|2.247547|2.312311|2.002510|0.172543|0.212273|0.209969|0.500000| |8.872450|17.556884|8.882687|0.213552|5.494793|4.308674|3.350297|3.102717|3.468989|4.562324|7.199235|12.456717|6.873404|4.058408|4.154491|0.124528|3.635069|0.088402|4.186146|3.064119|2.530483|2.229515|2.252176|2.603552|3.121202|3.236976|5.019370|4.159953|2.535652|15.257318|3.387182|3.727657|2.185632|2.040227|1.991787|2.067341|2.219575|2.288443|1.934539|0.210092|0.215105|0.172851|0.305330|0.500000| |5.478292|5.205496|6.973982|0.225411|8.899747|17.692792|8.932330|5.649395|4.962884|5.649931|4.786879|6.789209|5.999911|3.303112|5.027528|0.193369|4.041525|0.093146|3.735720|4.083131|3.370172|3.104312|3.304717|3.979129|4.591666|4.310708|6.032250|6.630287|3.794002|23.587461|4.906457|5.508766|3.881580|3.542835|3.577658|3.957162|4.444916|4.383037|3.504978|0.163641|0.116692|0.169297|0.122508|0.119434|0.500000| |3.615566|3.439957|4.077649|0.114092|5.623496|8.918695|17.729318|8.911641|5.651122|4.955632|3.326705|5.144147|4.307418|2.602286|3.502400|0.116643|2.909182|0.071884|2.619341|3.021694|2.757232|2.668277|2.801603|3.087841|3.229508|3.515812|5.188383|5.967275|3.948253|26.010309|5.641565|5.588963|4.811310|5.032413|5.553648|5.833910|5.493644|4.982911|4.967520|0.100244|0.085192|0.117683|0.090439|0.081480|0.216171|0.500000| |3.070252|3.095040|3.528876|0.090836|4.919370|5.640259|8.910173|17.718686|8.896709|5.635966|3.121252|5.116788|3.970842|2.521151|3.005440|0.092779|2.460874|0.063271|2.225689|2.431679|2.283587|2.171750|2.182480|2.313378|2.450938|3.179274|4.885552|5.404359|3.969319|24.431007|5.783350|5.011852|3.996477|4.536567|4.513998|3.957908|3.588204|3.593283|3.464279|0.080027|0.075364|0.098964|0.087714|0.073569|0.124215|0.214544|0.500000| |3.302605|3.632530|4.079489|0.096538|5.630693|4.964616|5.652759|8.909015|17.715504|8.938090|3.854563|6.711336|4.646875|3.016621|3.209746|0.094882|2.547814|0.066478|2.340616|2.369185|2.195046|2.016007|1.977174|2.102539|2.308658|3.347976|5.216745|5.357569|3.836938|21.363779|5.092858|4.542399|3.082158|3.190913|2.989872|2.741719|2.675661|2.813776|2.444344|0.081801|0.081969|0.103187|0.111102|0.085456|0.107690|0.124134|0.214450|0.500000| |4.526654|5.937648|6.974947|0.141148|8.908225|5.655912|4.955561|5.642176|8.930503|17.728537|6.980316|12.808352|7.055769|4.319977|4.269369|0.124884|3.214052|0.082344|3.040050|2.792024|2.472423|2.188039|2.134019|2.329787|2.682799|4.023040|6.093215|5.837534|3.704206|19.994059|4.539988|4.506644|2.793661|2.690435|2.520339|2.444045|2.523797|2.693714|2.191299|0.106827|0.108473|0.132432|0.197429|0.132890|0.124116|0.107584|0.124099|0.216081|0.500000| |3.066539|3.994206|4.679520|0.121409|3.778515|3.115590|2.654329|2.597070|2.942704|3.610443|7.324063|13.659854|12.402743|17.642881|5.771380|0.129634|5.152329|0.148994|5.306980|3.653168|3.170430|2.582715|2.379656|2.562455|3.132096|4.745130|8.335311|5.121572|3.147663|17.936344|3.976031|4.551303|2.300368|2.064764|1.899372|1.905303|2.088385|2.316187|1.710337|0.082715|0.077719|0.077961|0.107555|0.119972|0.083749|0.065770|0.063770|0.076607|0.110795|0.500000| |2.713618|3.337168|4.142802|0.113495|3.612671|3.140771|2.723598|2.636614|2.894919|3.409872|5.796653|9.252743|12.435069|17.705670|7.448126|0.147110|6.872528|0.233739|5.736069|4.584731|4.110473|3.168213|2.783156|2.915205|3.597907|6.800879|13.539704|6.396825|3.869068|21.726767|4.696859|5.702979|2.658321|2.312344|2.078485|2.077959|2.322114|2.665681|1.827286|0.075019|0.067873|0.070946|0.088227|0.095541|0.085235|0.068412|0.065277|0.074908|0.099163|0.299688|0.500000| |2.874754|3.665528|4.525708|0.113248|4.091743|3.345858|2.935964|2.970888|3.454219|4.179605|6.925494|12.511939|12.291337|17.600283|6.046898|0.133594|4.719302|0.138474|4.199812|3.540937|3.207816|2.623445|2.378314|2.503432|2.995423|5.966154|10.802661|6.429258|4.021320|21.275508|4.737006|5.244498|2.621498|2.348258|2.105779|2.063075|2.244960|2.547226|1.817506|0.076405|0.072005|0.076187|0.102189|0.101876|0.086439|0.071716|0.072875|0.091153|0.129788|0.302006|0.302104|0.500000| |3.944774|4.524506|5.477751|0.198835|4.092691|3.837327|3.035860|2.659329|2.738016|3.280311|5.483769|7.722804|8.368116|4.757999|6.810296|0.192958|8.687715|0.173433|17.555048|6.560123|4.486892|3.637334|3.643181|4.522909|6.583043|4.452125|6.877127|5.080790|2.930098|18.382850|3.879401|4.852303|2.579088|2.252469|2.155763|2.308896|2.665689|2.860440|2.099432|0.123528|0.095124|0.096034|0.103085|0.137646|0.119450|0.078381|0.064712|0.067350|0.088526|0.130300|0.129790|0.105851|0.500000| |2.898009|3.240096|3.753677|0.122217|3.085789|2.954661|2.483518|2.231329|2.284178|2.633288|4.026666|6.107942|6.558747|4.354532|5.455606|0.138486|8.827154|0.211598|17.572679|6.998224|5.113713|4.019877|3.836353|4.464775|6.127823|4.070119|6.844486|4.506912|2.711989|17.577722|3.737768|4.827650|2.390108|2.072085|1.964201|2.090386|2.419544|2.635368|1.900269|0.088037|0.072774|0.072903|0.078574|0.097585|0.089526|0.065463|0.055654|0.057560|0.072004|0.120029|0.131204|0.097368|0.302115|0.500000| |3.274997|3.967104|4.686286|0.145345|3.594914|3.213962|2.649672|2.431083|2.581586|3.092423|5.687686|8.546857|9.736833|6.563450|6.672241|0.156407|8.773797|0.218234|17.597577|5.473142|4.191391|3.293783|3.095523|3.514690|4.672359|4.581689|7.625426|4.901687|2.898922|17.753216|3.810276|4.714592|2.371909|2.080775|1.953411|2.036230|2.308431|2.530878|1.841787|0.095817|0.081766|0.080891|0.096432|0.123697|0.093711|0.067738|0.059779|0.065122|0.087226|0.193352|0.186167|0.132884|0.302803|0.301752|0.500000| |2.218214|2.429439|2.961785|0.089993|2.848829|2.890043|2.628325|2.399602|2.373912|2.561081|3.187338|4.874648|5.489985|3.835411|5.420921|0.130926|7.010277|0.226576|4.740475|8.917623|17.732073|8.940354|5.651256|4.963443|5.659676|6.028255|11.824122|6.490245|4.124105|29.353519|5.808230|9.721585|3.543173|2.820464|2.506391|2.602867|3.144145|3.855246|2.221953|0.064716|0.055306|0.059946|0.062245|0.067130|0.084162|0.071059|0.061433|0.060436|0.068007|0.092257|0.126754|0.095601|0.111849|0.130382|0.114010|0.500000| |1.939857|2.029103|2.382609|0.072669|2.370196|2.528048|2.392290|2.157141|2.055317|2.139506|2.410333|3.766531|3.813687|2.613203|3.521730|0.095410|4.086221|0.114699|3.293861|5.629337|8.934412|17.727183|8.910657|5.652023|4.964699|3.789911|6.825705|4.844014|3.321933|27.387676|5.565098|9.327866|3.628859|2.896266|2.647101|2.842423|3.529243|4.213009|2.444889|0.057232|0.048861|0.053283|0.052145|0.055495|0.075106|0.067614|0.056644|0.052553|0.055913|0.065565|0.080430|0.067518|0.084808|0.094210|0.079726|0.216611|0.500000| |2.058860|2.069458|2.382320|0.074511|2.375425|2.637367|2.490723|2.169508|2.015688|2.091081|2.281925|3.553197|3.443158|2.270669|3.121608|0.090927|3.525948|0.091176|3.089474|4.915369|5.638147|8.907065|17.712953|8.896658|5.639662|3.102174|5.202898|4.167655|2.785187|22.451177|4.658537|6.672450|3.417415|2.837799|2.778591|3.210375|4.131293|4.353664|2.877134|0.062279|0.051819|0.056827|0.052416|0.056290|0.081791|0.072694|0.057006|0.050934|0.053823|0.058284|0.066994|0.058479|0.084992|0.088913|0.073441|0.124240|0.214363|0.500000| |2.655553|2.592988|2.983416|0.098477|2.888096|3.281456|2.933540|2.447287|2.269669|2.419451|2.707937|4.123298|3.969592|2.491125|3.610357|0.112543|4.067257|0.096804|3.816104|5.621571|4.961147|5.652373|8.902473|17.704800|8.929634|3.248103|5.151115|4.346477|2.731817|20.231273|4.192954|5.564109|3.190223|2.724208|2.751671|3.268095|4.174234|4.096171|3.025399|0.083943|0.065721|0.072384|0.063546|0.070500|0.109078|0.085301|0.062659|0.056126|0.061565|0.064763|0.071332|0.062893|0.113664|0.108180|0.087230|0.107685|0.124092|0.214298|0.500000| |3.547750|3.639842|4.455688|0.163521|3.914273|4.216940|3.403482|2.818502|2.721105|3.085374|3.987167|5.725878|5.976752|3.472396|5.748405|0.190390|6.897716|0.140932|6.881586|8.872050|5.651948|4.963538|5.656489|8.974423|17.710734|4.350717|6.533181|5.413207|3.126315|20.979628|4.292943|5.643097|3.131233|2.660666|2.594799|2.918566|3.575950|3.765654|2.631580|0.115066|0.084575|0.092410|0.085034|0.100672|0.144275|0.092526|0.069305|0.066015|0.078929|0.089930|0.097830|0.083556|0.232892|0.177547|0.139693|0.124040|0.107717|0.124388|0.217322|0.500000| |3.351656|3.760348|5.320126|0.148024|6.751785|7.278238|6.546425|5.696862|5.440632|5.835673|5.129793|7.223614|7.794322|4.364555|7.425322|0.241206|4.943750|0.121022|3.823106|4.787151|4.297286|3.697065|3.493809|3.748586|4.381836|9.338041|10.862328|26.058617|9.131328|42.107023|7.804146|9.019942|5.921504|4.754177|4.024317|3.947629|4.557747|5.717822|3.129400|0.092918|0.078475|0.097045|0.097697|0.092759|0.177266|0.154620|0.129997|0.123044|0.133877|0.099908|0.116031|0.119959|0.107255|0.090414|0.098278|0.114706|0.091428|0.084416|0.092983|0.117696|0.500000| |2.502557|2.757840|3.447999|0.091650|4.218508|4.315001|4.713929|5.094172|4.947075|4.491622|3.552380|5.622008|5.253048|3.475963|4.285968|0.119658|3.351142|0.090324|2.729441|3.276058|3.272587|2.968917|2.735074|2.739720|2.974886|5.875069|9.191187|12.483455|17.622469|57.657189|12.526241|9.642494|6.327230|5.650594|4.209287|3.633249|3.809974|4.774027|2.866577|0.067800|0.061412|0.073202|0.075861|0.069542|0.104853|0.118883|0.133712|0.127744|0.111051|0.081366|0.094626|0.103913|0.074396|0.067673|0.073086|0.093236|0.078760|0.069238|0.069376|0.078616|0.225805|0.500000| |2.286149|2.567383|3.200449|0.086678|3.565333|3.498016|3.509299|3.591766|3.665169|3.652078|3.525751|5.600766|5.652414|4.006296|4.708389|0.119656|3.802808|0.108634|2.968025|3.635587|3.807872|3.313005|2.882725|2.807345|3.091974|7.487737|14.106157|12.548347|17.637818|58.365817|12.150860|11.863799|5.082729|4.202982|3.285246|2.994696|3.280032|4.191802|2.430337|0.062666|0.056664|0.064861|0.069995|0.066869|0.089582|0.090167|0.093397|0.096422|0.095965|0.090818|0.115700|0.120571|0.077640|0.073995|0.080044|0.115896|0.089349|0.071924|0.069236|0.079551|0.181101|0.299370|0.500000| |2.060967|2.115933|2.469104|0.068354|2.945154|3.339502|4.017649|4.103290|3.435844|2.983301|2.373019|3.834358|3.369747|2.247275|2.774103|0.081260|2.424374|0.064681|2.075754|2.571492|2.653123|2.661248|2.586507|2.515177|2.510154|3.277446|5.363790|5.725867|5.213704|47.290516|13.221210|8.174963|8.916597|17.745916|8.903899|5.621066|4.955051|5.635645|4.088441|0.057013|0.051593|0.061440|0.057648|0.053755|0.086613|0.119734|0.125063|0.090436|0.073431|0.055717|0.062218|0.064303|0.057827|0.053600|0.054525|0.072601|0.072895|0.069315|0.066197|0.065968|0.119084|0.165007|0.119579|0.500000| |2.087260|2.049505|2.315564|0.064997|2.756836|3.283543|4.105534|3.946662|3.121934|2.712175|2.128005|3.448380|2.926985|1.921957|2.385211|0.072138|2.135306|0.055811|1.897302|2.298979|2.306752|2.376388|2.445143|2.441392|2.367542|2.607565|4.202181|4.313119|3.407086|27.850173|6.885935|5.744189|5.661752|8.953164|17.709300|8.900892|5.650101|4.949219|7.008987|0.058308|0.052558|0.063422|0.055431|0.051778|0.087838|0.137086|0.124517|0.080845|0.066043|0.048785|0.052652|0.053968|0.054163|0.049447|0.049498|0.061167|0.064151|0.067241|0.067029|0.063650|0.095039|0.102956|0.080885|0.215325|0.500000| |2.498765|2.411993|2.812961|0.086157|3.118314|3.917706|4.074764|3.279952|2.768125|2.717557|2.504870|3.869089|3.561876|2.241637|3.157988|0.100489|3.011688|0.075014|2.640882|3.647031|3.587070|3.998038|4.742314|4.921875|4.213114|3.223607|5.010500|5.018338|3.402739|27.865507|5.727047|6.879149|5.666085|4.952204|5.648452|8.900982|17.712729|8.959677|6.995655|0.074602|0.061404|0.073230|0.061558|0.062079|0.123086|0.135083|0.087568|0.067877|0.066216|0.056858|0.062715|0.059704|0.076956|0.069873|0.065069|0.086641|0.100583|0.131953|0.141190|0.108841|0.112378|0.090181|0.080742|0.107556|0.124059|0.500000| |2.452013|2.519947|3.098287|0.094338|3.394683|4.008145|3.984513|3.365452|2.977347|2.987341|2.930608|4.435445|4.457870|2.810145|4.276091|0.130637|4.038302|0.102036|3.194946|5.170345|5.587881|6.107376|6.109766|5.615397|5.211435|4.852364|7.446829|7.773164|5.187640|47.271693|8.126871|13.109465|8.914674|5.634459|4.953060|5.621611|8.902929|17.756229|4.087130|0.071884|0.059839|0.070171|0.064582|0.065514|0.119596|0.118288|0.087708|0.073210|0.073599|0.068719|0.081039|0.074644|0.088599|0.083253|0.077892|0.133749|0.150435|0.149929|0.133700|0.121601|0.159701|0.123527|0.118932|0.124128|0.107518|0.215659|0.500000| |1.994292|1.895089|2.094904|0.061052|2.359157|2.832964|3.207410|2.833766|2.362020|2.200322|1.893035|3.050335|2.610650|1.707503|2.157580|0.065943|2.034968|0.052583|1.853640|2.281211|2.283280|2.471504|2.718251|2.724062|2.479291|2.240501|3.628480|3.478834|2.555495|20.866473|4.856925|4.857343|4.001055|4.479250|6.327606|8.874068|6.242233|4.447368|17.537429|0.057668|0.050651|0.059663|0.050048|0.048722|0.082154|0.108012|0.081975|0.060306|0.054444|0.044064|0.047253|0.046686|0.053600|0.049416|0.047511|0.058621|0.066338|0.078480|0.078771|0.066707|0.076344|0.071995|0.062599|0.104582|0.170777|0.166749|0.103691|0.500000| |2.387083|2.214230|2.451745|0.072594|2.776643|3.481179|3.903957|3.233153|2.648861|2.504812|2.144796|3.412231|2.919690|1.866389|2.427145|0.076333|2.273419|0.057489|2.091066|2.556778|2.470550|2.636436|2.981017|3.149094|2.878473|2.442709|3.863311|3.788705|2.660569|20.698765|4.638478|4.849633|3.968179|4.189141|5.626144|8.834776|7.120064|4.709601|17.578377|0.070112|0.059854|0.072206|0.057609|0.056368|0.104836|0.137934|0.090561|0.065938|0.061027|0.048255|0.051186|0.050521|0.061698|0.055322|0.053105|0.062259|0.068562|0.084242|0.093640|0.079270|0.085785|0.074673|0.064447|0.096448|0.142702|0.214316|0.111708|0.302099|0.500000| 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