Version2.1 2020-12-17T04:30:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)n2c(c(c(n2)C)NC(=O)C[NH+]3CCCCC[C@H]3c4ccc(cc4)OC)C C09789113 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)n2c(c(c(n2)C)NC(=O)C[NH+]3CCCCC[C@H]3c4ccc(cc4)OC)C C01[X(C27H35N4O2)] 198 C1 565 COc1ccc(cc1)[C@@H]1CCCCC[NH+]1CC(=O)Nc1c(C)nn(c1C)c1ccc(cc1)C COc1ccc(cc1)[C@@H]1CCCCC[NH+]1CC(=O)Nc1c(C)nn(c1C)c1ccc(cc1)C COc1ccc(cc1)[C@@H]2CCCCC[NH+]2CC(=O)Nc3c(C)nn(c3C)c4ccc(C)cc4 InChIKey=ZUZNYDUVWDRAIB-VWLOTQADSA-O InChI=1S/C27H34N4O2/c1-19-9-13-23(14-10-19)31-21(3)27(20(2)29-31)28-26(32)18-30-17-7-5-6-8-25(30)22-11-15-24(33-4)16-12-22/h9-16,25H,5-8,17-18H2,1-4H3,(H,28,32)/p+1/t25-/m0/s1 InChI=1/C27H34N4O2/c1-19-9-13-23(14-10-19)31-21(3)27(20(2)29-31)28-26(32)18-30-17-7-5-6-8-25(30)22-11-15-24(33-4)16-12-22/h9-16,25H,5-8,17-18H2,1-4H3,(H,28,32)/p+1/t25-/m0/s1/fC27H35N4O2/h28,30H/q+1 Cc1ccc(cc1)n2c(c(c(n2)C)NC(=O)C[NH+]3CCCCC[C@H]3c4ccc(cc4)OC)C C01[X(C27H35N4O2)] 198 C01 565 COc1ccc(cc1)[C@@H]1CCCCC[NH+]1CC(=O)Nc1c(C)nn(c1C)c1ccc(cc1)C CO[C]1[CH][CH][C]([CH][CH]1)[C@@H]1CCCCC[NH]1CC(=O)N[C]1[C]([N][N@@]([C]1C)[C]1[CH][CH][C]([CH][CH]1)C)C CO[C]1[CH][CH][C]([CH][CH]1)[C@@H]2CCCCC[NH]2CC(=O)N[C]3[C](C)[N]N([C]4[CH][CH][C](C)[CH][CH]4)[C]3C InChIKey=WDBDSOKZQSDHNS-VWLOTQADSA-N InChI=1S/C27H35N4O2/c1-19-9-13-23(14-10-19)31-21(3)27(20(2)29-31)28-26(32)18-30-17-7-5-6-8-25(30)22-11-15-24(33-4)16-12-22/h9-16,25,30H,5-8,17-18H2,1-4H3,(H,28,32)/t25-/m0/s1 InChI=1/C27H35N4O2/c1-19-9-13-23(14-10-19)31-21(3)27(20(2)29-31)28-26(32)18-30-17-7-5-6-8-25(30)22-11-15-24(33-4)16-12-22/h9-16,25,30H,5-8,17-18H2,1-4H3,(H,28,32)/t25-/m0/s1/f/h28H 3369.4340734905 -1410.1368552 1-A 20402.1312 120 445 565 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|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|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| 8.8637 15.5828 22.6649 25.2947 30.0326 32.6281 38.7473 54.1489 60.8438 72.2578 81.2712 89.8537 107.3111 121.1756 129.7011 145.7296 150.3341 166.1333 182.9780 196.3142 199.9681 216.7987 226.2650 252.0270 258.7621 279.3038 288.8046 290.8069 306.2171 323.1021 359.0647 367.9716 387.7443 394.5564 401.1470 409.0614 427.4513 441.8278 462.6930 471.0167 473.4971 488.9378 514.8312 523.8246 560.4905 562.4975 568.0923 610.6024 619.4564 636.9481 648.2617 660.8793 683.2220 693.9037 695.1879 747.2388 753.9647 769.7389 795.9848 802.9566 806.2811 834.0270 853.8992 857.8497 872.6812 890.6415 909.3698 924.4256 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263.26 282.45 287.71 311.92 325.54 362.61 372.30 401.86 415.53 418.41 440.58 464.87 516.61 529.43 557.88 567.68 577.16 588.55 615.01 635.69 665.71 677.69 681.26 703.47 740.73 753.67 806.42 809.31 817.36 878.52 891.26 916.43 932.70 950.86 983.00 998.37 1000.22 1075.11 1084.79 1107.48 1145.24 1155.28 1160.06 1199.98 1228.57 1234.25 1255.59 1281.43 1308.38 1330.04 1340.78 1344.19 1345.49 1364.48 1369.31 1381.96 1417.29 1491.81 1517.52 1553.17 1553.84 1567.52 1568.63 1576.50 1585.80 1587.51 1592.66 1594.57 1603.37 1629.25 1638.89 1650.07 1657.08 1678.66 1681.65 1682.43 1689.13 1691.14 1722.53 1724.71 1757.04 1770.69 1814.36 1828.94 1859.02 1870.48 1873.89 1877.33 1883.48 1895.77 1909.46 1915.57 1926.41 1951.84 1960.44 1975.26 2025.65 2041.77 2062.28 2064.17 2086.72 2093.44 2103.50 2127.75 2158.01 2176.59 2186.73 2212.97 2220.26 2234.21 2235.39 2242.97 2248.62 2254.61 2255.88 2257.37 2263.59 2300.13 2319.60 2325.56 2339.03 2341.08 2343.87 2346.29 2346.84 2350.86 2351.36 2353.87 2358.94 2363.39 2375.86 2381.31 2382.15 2385.89 2392.35 2412.57 2447.34 2454.03 2482.21 2540.38 2554.81 2576.92 2605.78 2622.50 2825.44 4572.33 4604.68 4611.65 4617.80 4622.22 4633.47 4644.91 4661.98 4682.97 4683.73 4691.88 4697.43 4703.01 4703.82 4730.60 4732.18 4733.22 4736.43 4737.36 4760.03 4769.99 4816.45 4822.92 4823.85 4831.22 4840.70 4844.01 4874.00 4878.03 4885.05 4890.61 4903.32 4912.62 5334.01 5516.58 0.630930 0.661389 0.662334 0.563912 -1409.505925 -1409.475466 -1409.474522 -1409.572943 3.301057D-04 MUNgauss RevisionA2.0 retrievium 17-Dec-2020 DUDE Cc1ccc(cc1)n2c(c(c(n2)C)NC(=O)C[NH+]3CCCCC[C@H]3c4ccc(cc4)OC)C C09789113 RHF 6-31G(d) (6D,10F) C1 447.276002 |X|Y|Z| 69.231902 121.131235 30.596662 63.544624 27 6 7 23 4 |36.858105| |12.611330|36.858105| |7.555969|13.665928|36.858105| |5.015589|7.880401|13.803110|36.858105| |4.430257|6.829220|7.963087|13.733495|36.858105| |5.003875|7.885870|6.898447|7.945187|13.797921|36.858105| |7.536023|13.737335|7.986031|6.891035|7.956094|13.731475|36.858105| |3.327309|4.519668|5.160429|7.846707|13.363907|7.815445|5.142450|53.358707| |2.865265|3.691789|4.019623|5.408212|7.646707|5.985336|4.235458|19.318381|36.858105| |2.430221|3.008767|3.297464|4.275384|5.354567|4.365248|3.334618|12.014769|13.914911|36.858105| |2.476670|3.074485|3.461924|4.584897|5.503131|4.287735|3.324273|12.257509|8.574521|13.460848|36.858105| |2.938968|3.804669|4.425315|6.347778|7.967663|5.508864|4.103328|19.281580|8.535490|8.580962|14.700781|53.358707| |2.139700|2.560067|2.858034|3.566316|3.959730|3.284198|2.703527|7.293059|5.166640|7.264851|12.724919|10.620107|36.858105| |2.085361|2.493809|2.679389|3.285208|3.884679|3.395184|2.735906|7.319578|7.630441|13.440156|7.519277|7.231559|5.960693|53.358707| |1.908555|2.242728|2.349648|2.788385|3.291402|3.031328|2.486997|5.826145|5.561731|7.828558|5.665399|5.833117|5.078566|19.310451|36.858105| |1.932707|2.269476|2.336700|2.745230|3.301966|3.138378|2.561366|5.745609|5.210647|6.717370|5.371449|5.781632|4.856444|11.466419|15.912804|73.516695| |1.675159|1.926016|2.013144|2.330469|2.647409|2.467673|2.098090|4.426569|4.008295|5.067658|4.072833|4.440933|3.947541|10.803737|12.456150|14.233216|36.858105| |1.536919|1.743224|1.795503|2.037643|2.303332|2.203719|1.904404|3.725960|3.227691|3.849669|3.308265|3.756703|3.304088|6.981090|7.553426|12.300591|12.734697|53.358707| |1.437978|1.617406|1.668975|1.879156|2.091408|1.998614|1.749761|3.331584|2.847925|3.334932|2.916552|3.360493|2.948031|5.907232|5.702596|9.077301|9.527807|25.740062|0.500000| |1.501927|1.700046|1.754271|1.988849|2.237632|2.136241|1.851049|3.615505|3.010173|3.640031|3.344376|3.779627|3.541972|6.156648|6.342130|11.775719|7.670767|16.988664|0.257724|36.858105| |1.346153|1.502268|1.542474|1.720592|1.904250|1.835915|1.622401|2.991199|2.427900|2.824348|2.668427|3.122146|2.853609|4.540920|4.221188|7.805527|5.019812|10.109530|0.204757|12.532766|36.858105| |1.291345|1.430127|1.450948|1.599598|1.772926|1.740308|1.552009|2.734369|2.215285|2.490623|2.329892|2.797872|2.415631|3.916367|3.579030|6.792505|4.130966|8.229861|0.169135|7.358610|12.464376|36.858105| |1.274063|1.407711|1.425234|1.566455|1.733682|1.706789|1.527223|2.660016|2.187086|2.424194|2.211738|2.670770|2.238156|3.873138|3.504811|6.399079|4.260638|8.607360|0.195293|5.938973|7.493640|12.456513|36.858105| |1.377063|1.530329|1.541412|1.699391|1.904802|1.889033|1.677294|2.933692|2.465674|2.702543|2.387818|2.885274|2.340976|4.382362|4.062698|7.445042|4.945536|10.110360|0.209481|5.739563|5.687929|7.291923|12.396915|36.858105| |1.540818|1.738519|1.758609|1.969712|2.248714|2.214468|1.924378|3.554122|3.076991|3.452850|2.944435|3.477402|2.831581|5.850044|5.962797|11.087559|7.331692|16.604600|0.254441|7.433125|5.790828|6.050903|7.118801|12.334673|36.858105| |1.594177|1.804383|1.814536|2.033552|2.347603|2.334378|2.016195|3.716274|3.177832|3.558539|3.083684|3.656843|2.964771|5.795140|6.003516|12.861191|6.262081|12.469768|0.186298|7.639633|5.801326|6.132065|6.184618|8.807805|17.720426|0.500000| |1.639503|1.856365|1.867167|2.089579|2.405194|2.389681|2.070255|3.777103|3.373989|3.627949|2.962237|3.558514|2.722384|6.133940|5.824899|10.200927|6.626313|10.065060|0.175290|4.947855|4.002100|4.109644|4.833750|7.562896|12.569220|0.250439|36.858105| |1.810840|2.066976|2.048456|2.290892|2.701778|2.754354|2.357197|4.213284|3.809600|3.889920|3.127505|3.846990|2.768599|6.165889|5.587154|10.612469|5.261334|7.253740|0.125081|4.138922|3.366476|3.447167|3.778525|5.277287|7.571147|0.207904|13.650076|36.858105| |1.897075|2.157802|2.115674|2.338967|2.750391|2.852960|2.471119|4.161090|3.764949|3.606525|2.896806|3.676614|2.514458|5.455661|4.439175|8.006304|4.169185|5.430562|0.099101|3.225940|2.724668|2.780881|3.054690|4.018969|5.023365|0.135042|7.886875|13.840033|36.858105| |1.777490|1.997787|1.976302|2.167906|2.478968|2.526778|2.235735|3.706468|3.318021|3.201247|2.598970|3.300363|2.288591|4.925023|3.854846|6.559503|3.890869|4.993021|0.095593|2.917394|2.524190|2.571907|2.906315|3.768399|4.410003|0.111478|6.789685|7.923400|13.665441|36.858105| |1.616074|1.807508|1.813845|1.997072|2.246366|2.238764|1.988450|3.402647|3.023134|3.053964|2.503129|3.114614|2.262530|4.915920|3.933346|6.458471|4.359690|5.678938|0.113139|3.159351|2.757523|2.809918|3.307099|4.379734|4.977762|0.116685|7.855067|6.877320|7.929126|13.692468|36.858105| |1.561737|1.753027|1.770377|1.966038|2.219271|2.190724|1.928076|3.430039|3.044486|3.218121|2.646398|3.215341|2.441399|5.409188|4.665979|7.626338|5.652582|7.892101|0.157718|4.007536|3.434980|3.513063|4.305958|6.227686|7.471595|0.155728|13.710547|7.993280|6.914122|7.940387|13.754246|36.858105| |1.823585|2.029051|1.988036|2.145632|2.424197|2.502791|2.261526|3.513961|3.076001|2.867298|2.373125|3.089251|2.080757|4.225508|3.165868|5.412669|3.131906|3.991593|0.077479|2.433858|2.146366|2.181767|2.424604|2.999707|3.372090|0.087735|4.605242|5.313514|8.231734|14.283641|7.890784|5.218125|73.516695| |1.679390|1.842397|1.818259|1.943679|2.141970|2.183314|2.009969|3.075638|2.636562|2.491604|2.104669|2.744405|1.876317|3.678259|2.718431|4.579505|2.774573|3.547742|0.070744|2.180864|1.961777|1.992843|2.232249|2.690992|2.909346|0.074700|3.769309|3.983611|5.253013|8.001366|6.698768|4.507581|24.067679|36.858105| |2.880895|3.637434|3.767856|4.660141|6.201147|5.711123|4.259636|10.326883|12.732885|7.329564|5.151535|7.078411|3.713596|8.122410|4.810068|8.009406|3.752243|4.194663|0.076555|2.761552|2.270541|2.127930|2.157252|2.488967|3.077484|0.086655|3.589489|4.223746|4.555657|4.040663|3.485075|3.327291|6.860804|3.207141|36.858105| |17.550683|8.853071|6.675277|4.585093|3.976104|4.312975|5.916903|4.189472|2.629256|2.283490|2.375247|3.837919|2.090526|2.674985|1.807129|3.261896|1.591818|1.997352|0.038205|1.447196|1.303526|1.247949|1.224568|1.313695|1.463659|0.042146|1.541069|1.688478|1.748924|1.639127|1.504362|1.465387|2.966632|1.543289|2.578187|0.500000| |17.587494|8.836648|5.569141|4.166918|3.962432|4.738584|7.228602|4.174147|2.704918|2.301133|2.316376|3.678209|2.010225|2.719678|1.853471|3.364449|1.631770|2.055699|0.039235|1.474045|1.325873|1.281520|1.266536|1.372710|1.530104|0.044099|1.632515|1.815810|1.913092|1.785295|1.611630|1.552410|3.274053|1.690592|2.772164|0.301854|0.500000| |17.553606|8.845999|6.769804|4.614355|3.971433|4.275112|5.836305|4.184610|2.708448|2.308677|2.328581|3.699301|2.022114|2.728830|1.826494|3.252710|1.620232|2.017380|0.038730|1.439673|1.293903|1.241460|1.231565|1.330713|1.482961|0.042303|1.584663|1.738725|1.833851|1.741479|1.588388|1.525084|3.203086|1.677184|2.768571|0.302269|0.301739|0.500000| |7.018823|8.901229|17.706661|8.969423|5.663581|4.964421|5.664471|5.699048|3.402583|2.904827|3.073595|5.171584|2.626164|3.292551|2.130023|3.739115|1.857047|2.262678|0.043257|1.628366|1.444326|1.357850|1.334683|1.433280|1.620101|0.046189|1.711012|1.853483|1.910559|1.807292|1.676080|1.636425|3.241016|1.690055|3.206326|0.188432|0.140618|0.193732|0.500000| |4.088693|5.615835|8.906965|17.740744|8.933496|5.657885|4.963242|9.845015|5.193871|4.376102|4.876142|9.057310|3.860119|4.590311|2.807424|4.819176|2.366945|2.788174|0.052748|2.005704|1.734792|1.596790|1.561386|1.681515|1.946277|0.055425|2.047813|2.204434|2.228320|2.089787|1.956927|1.939372|3.651910|1.880556|4.309864|0.107802|0.095848|0.108674|0.215595|0.500000| |4.082924|5.625823|4.966477|5.649570|8.932878|17.727257|8.904633|9.742897|6.170799|4.535561|4.289012|7.065565|3.292218|4.875494|3.292061|6.238916|2.636660|3.235163|0.059244|2.298085|1.961443|1.872438|1.835039|2.052771|2.431192|0.072134|2.639159|3.127505|3.231304|2.770953|2.416508|2.373719|4.824946|2.316059|6.088445|0.100043|0.112796|0.098833|0.107741|0.124395|0.500000| |6.973581|8.921017|5.661118|4.961354|5.664468|8.947746|17.715869|5.681256|3.644360|2.952652|2.908223|4.697329|2.422464|3.397105|2.322165|4.299700|1.981184|2.484901|0.046672|1.774205|1.567845|1.516054|1.494855|1.644737|1.871371|0.054652|2.016815|2.313855|2.444227|2.202233|1.943370|1.876753|3.992550|1.991692|3.783159|0.153526|0.221409|0.150280|0.124240|0.107699|0.215960|0.500000| |1.997840|2.360617|2.564592|3.107843|3.512491|3.055496|2.531578|6.261206|4.617324|6.397446|8.903328|8.272977|17.545050|7.913521|5.567459|10.047829|4.274598|5.028813|0.089826|4.178319|3.288960|2.727242|2.465301|2.556369|3.121154|0.092643|2.901345|2.927921|2.587360|2.324292|2.310484|2.543395|3.706824|1.869618|3.467459|0.054243|0.052805|0.052276|0.065378|0.090518|0.087549|0.064181|0.500000| |2.185465|2.603182|2.937092|3.633343|3.889564|3.218806|2.701676|6.735144|4.416599|5.492101|8.980018|10.189743|17.617456|6.130139|3.968257|6.960651|3.229346|3.818829|0.070634|3.027409|2.533706|2.179668|2.013916|2.086576|2.464345|0.071894|2.375019|2.431859|2.240919|2.049686|2.015364|2.150267|3.360390|1.716708|3.282332|0.060138|0.056650|0.057093|0.075754|0.110635|0.087877|0.067018|0.301045|0.500000| |1.992236|2.351873|2.640382|3.249524|3.490384|2.909060|2.445973|6.210637|4.614513|6.448831|8.877427|8.164987|17.539959|8.113221|4.940227|7.862270|4.097730|4.553013|0.084628|3.536712|2.870602|2.397158|2.242456|2.325705|2.787428|0.079102|2.677915|2.654905|2.421983|2.251969|2.266478|2.451820|3.639327|1.869384|3.476675|0.054014|0.051926|0.052982|0.068540|0.099673|0.080339|0.061159|0.301140|0.300945|0.500000| |1.990994|2.355243|2.556306|3.104898|3.525832|3.061708|2.530998|6.345785|6.267697|9.164575|6.168515|6.277468|5.267442|26.007155|9.447512|10.850288|7.697379|6.569011|0.119597|4.150330|3.166293|2.725808|2.744455|3.070283|3.957832|0.104786|4.191843|4.040242|3.693294|3.513886|3.619397|3.934143|5.424306|2.727363|5.327973|0.052167|0.052777|0.053786|0.065075|0.090319|0.087665|0.064146|0.137765|0.114150|0.159425|0.500000| |1.613868|1.848462|1.954909|2.265467|2.521043|2.312746|1.983851|4.204041|3.689506|4.750650|4.036427|4.346620|4.141614|9.712049|8.846487|10.993032|17.596458|12.446392|0.234476|7.159841|4.970743|3.878396|3.897471|4.181245|5.464256|0.134704|4.875260|4.051499|3.394721|3.255842|3.641673|4.483027|4.842749|2.480724|3.362354|0.042859|0.043410|0.043500|0.050565|0.064950|0.067451|0.051763|0.123606|0.093649|0.125804|0.213132|0.500000| |1.671146|1.914729|1.995730|2.295294|2.593592|2.431151|2.081997|4.262061|3.923780|4.681841|3.672362|4.139564|3.437271|9.637712|8.849192|11.022311|17.676121|12.319514|0.227371|5.583718|4.152055|3.654762|3.998148|4.844634|6.833025|0.152938|7.445520|5.625925|4.653039|4.592291|5.450947|7.210094|6.404274|3.205561|3.899555|0.043842|0.045289|0.045208|0.051222|0.064569|0.071899|0.054739|0.099523|0.079897|0.099527|0.208903|0.301981|0.500000| |1.580836|1.797782|1.842221|2.091685|2.388640|2.303709|1.979688|3.873050|3.206650|3.853918|3.565329|4.050520|3.720278|6.260960|6.608183|14.509253|6.586599|12.361602|0.183212|17.731801|8.784035|6.594833|5.203830|5.347082|7.253701|0.249906|4.963998|4.447420|3.392371|2.955512|3.089662|3.832312|4.391259|2.176694|2.911212|0.042303|0.043234|0.041798|0.047153|0.058026|0.069799|0.052860|0.125209|0.088520|0.099002|0.111841|0.160944|0.138292|0.500000| |1.524831|1.732588|1.809972|2.070290|2.310607|2.164158|1.869928|3.783000|3.126357|3.915324|3.689030|4.055953|4.099777|6.694990|6.578921|11.269207|7.772803|12.341656|0.211221|17.632846|8.918232|5.446903|4.599955|4.434210|5.539485|0.154634|4.197841|3.632440|2.945516|2.702900|2.910717|3.569570|4.079528|2.075644|2.787142|0.040943|0.041278|0.040647|0.046825|0.058718|0.063867|0.049325|0.136814|0.095419|0.116933|0.127336|0.238196|0.152041|0.303926|0.500000| |1.331227|1.483016|1.524486|1.697727|1.870987|1.801689|1.596818|2.928287|2.331052|2.710927|2.640513|3.105024|2.896110|4.223700|3.811626|7.203710|4.222976|7.523507|0.147653|9.139649|17.550397|8.850793|5.489800|4.401810|4.547058|0.133065|3.367891|2.968836|2.451095|2.258838|2.417092|2.913469|3.472731|1.788720|2.148491|0.035999|0.036385|0.035439|0.039733|0.047626|0.053296|0.042850|0.094233|0.072415|0.080278|0.081294|0.119018|0.097726|0.217415|0.221331|0.500000| |1.288599|1.432864|1.478734|1.646515|1.802449|1.726201|1.534443|2.820052|2.287654|2.657467|2.512193|2.943301|2.701872|4.303687|3.857401|6.768581|4.816082|9.075067|0.211475|8.861847|17.509776|8.859361|6.945252|5.128608|5.005807|0.130453|3.676174|3.051848|2.535657|2.411928|2.683538|3.323378|3.673443|1.918733|2.150542|0.034683|0.035162|0.034580|0.038685|0.046423|0.050742|0.041093|0.084682|0.066876|0.077307|0.085914|0.140438|0.113789|0.173177|0.217625|0.304878|0.500000| |1.336377|1.481591|1.492939|1.643216|1.836286|1.820779|1.620528|2.824169|2.278715|2.538257|2.379663|2.880149|2.442443|3.917231|3.604113|7.176761|3.920261|7.521281|0.142806|6.751903|8.801595|17.519442|8.779552|6.874509|6.102364|0.193387|4.178846|3.659248|2.909599|2.618812|2.785939|3.434100|3.950560|2.001939|2.188802|0.035863|0.036980|0.035521|0.038635|0.045234|0.054930|0.044180|0.077147|0.061458|0.066078|0.074256|0.099588|0.096347|0.196034|0.138996|0.209906|0.173168|0.500000| |1.209360|1.330189|1.349115|1.477464|1.622393|1.593971|1.434756|2.476024|1.978900|2.205073|2.095809|2.544415|2.192633|3.402591|3.004145|5.643015|3.402967|6.233183|0.131746|5.476628|8.965438|17.575213|8.903727|5.459867|4.524703|0.127015|3.355141|2.895013|2.413297|2.261291|2.457250|2.978889|3.475732|1.808461|1.901028|0.032588|0.033353|0.032337|0.035249|0.041040|0.047342|0.039015|0.068266|0.055742|0.060654|0.066450|0.091409|0.085269|0.139199|0.124472|0.220934|0.213831|0.304607|0.500000| |1.206392|1.323247|1.333052|1.452636|1.599462|1.586246|1.432905|2.421885|1.971714|2.148751|1.976221|2.421806|1.992672|3.358712|2.951841|5.417077|3.455913|6.374758|0.141385|4.484088|5.538633|8.860914|17.575556|9.012605|5.414987|0.137047|4.112875|3.357938|2.803964|2.695944|3.037787|3.796491|4.069814|2.130343|1.962573|0.032243|0.033429|0.032431|0.034772|0.040108|0.047304|0.039182|0.060440|0.050417|0.055303|0.066354|0.088881|0.092364|0.114662|0.101894|0.124821|0.146863|0.202121|0.226395|0.500000| |1.241411|1.370457|1.396692|1.537212|1.687544|1.645876|1.475656|2.593498|2.134282|2.381947|2.175243|2.613912|2.219191|3.850005|3.419045|5.996313|4.349748|8.501238|0.219581|5.669376|7.206478|8.894586|17.488231|8.795789|6.076012|0.140900|4.437833|3.435662|2.853132|2.791641|3.251054|4.215584|4.172918|2.198673|2.100962|0.033169|0.034148|0.033468|0.036490|0.042857|0.048718|0.039937|0.067317|0.055384|0.062777|0.077470|0.114944|0.114896|0.129785|0.129124|0.145849|0.220884|0.173767|0.206688|0.306934|0.500000| |1.375037|1.521888|1.518360|1.661654|1.868575|1.879980|1.677908|2.842988|2.367755|2.541327|2.260749|2.776082|2.196541|3.995180|3.631289|6.904639|4.096003|7.587213|0.148923|4.740435|4.733074|6.306262|8.853346|17.565343|9.116351|0.229242|6.801475|5.349836|4.108709|3.748471|4.151454|5.486184|5.362371|2.675673|2.413901|0.036414|0.038304|0.036816|0.039140|0.045310|0.057177|0.046098|0.066506|0.054952|0.059851|0.076844|0.097037|0.111990|0.132030|0.104607|0.108447|0.116247|0.186949|0.139015|0.228406|0.175156|0.500000| |1.342683|1.486461|1.498659|1.646209|1.831977|1.814083|1.620866|2.801947|2.363618|2.560947|2.247049|2.732200|2.186817|4.162047|3.717870|6.534673|4.628925|8.508534|0.191761|4.663377|4.602921|5.459025|8.943877|17.606500|8.827268|0.175385|7.367206|4.991145|4.034361|4.024754|4.996429|7.347906|5.667480|2.923607|2.429828|0.035497|0.037169|0.036243|0.038841|0.045331|0.054386|0.044151|0.065193|0.054318|0.060977|0.082963|0.110482|0.134855|0.118606|0.106848|0.102157|0.123738|0.139302|0.124271|0.212971|0.225217|0.307010|0.500000| |1.873147|2.148889|2.116199|2.371699|2.840067|2.932881|2.482653|4.448134|3.948675|4.042267|3.314527|4.093226|2.930717|6.143390|5.705723|12.292229|4.928031|6.965369|0.116620|4.310520|3.465082|3.544539|3.684568|4.915557|7.040906|0.231535|8.890649|17.736629|9.000027|5.652183|4.955930|5.665541|7.644675|3.334171|4.196944|0.048676|0.052320|0.049451|0.052849|0.062919|0.094573|0.067958|0.087631|0.071660|0.076297|0.107641|0.107504|0.135211|0.136931|0.104237|0.086581|0.084909|0.108487|0.082488|0.091055|0.091180|0.142928|0.121879|0.500000| |2.048095|2.333264|2.245895|2.459440|2.928378|3.139197|2.724812|4.318081|3.837906|3.509768|2.861686|3.734860|2.449188|5.013649|3.938955|7.307061|3.546548|4.603592|0.084229|2.873072|2.454157|2.501177|2.677821|3.381726|4.094481|0.115313|5.615971|8.910154|17.747151|8.955301|5.656913|4.975896|13.515624|4.870402|4.796294|0.052031|0.057927|0.054723|0.055849|0.063988|0.100890|0.075928|0.069528|0.061371|0.064693|0.093342|0.082619|0.106270|0.085273|0.073827|0.062521|0.063275|0.073498|0.061135|0.069191|0.069371|0.097742|0.092846|0.215941|0.500000| |1.532837|1.699333|1.711015|1.869695|2.068202|2.050837|1.846231|3.095977|2.704201|2.725790|2.274913|2.850311|2.077478|4.330808|3.362675|5.475313|3.779164|4.907197|0.101224|2.804561|2.509272|2.551178|3.010872|3.800579|4.075725|0.096592|5.628283|4.958702|5.628945|8.853314|17.770486|8.963180|12.486542|7.403682|3.096829|0.039695|0.042398|0.042147|0.044289|0.051187|0.060628|0.050110|0.058455|0.051822|0.058396|0.090867|0.091608|0.130157|0.075159|0.072912|0.061501|0.069117|0.069349|0.063078|0.078097|0.084148|0.099570|0.123174|0.107648|0.124072|0.500000| |1.452787|1.620423|1.646772|1.823508|2.028579|1.984378|1.761565|3.126614|2.725660|2.929521|2.464954|2.982589|2.329057|4.940721|4.217841|6.789900|5.497372|8.009403|0.177716|4.034994|3.588105|3.665468|4.709794|6.534574|6.854120|0.139385|8.865762|5.650079|4.971694|5.670809|9.027040|17.688417|7.497386|3.923800|2.903690|0.038074|0.039995|0.039530|0.042625|0.050420|0.059018|0.047534|0.067474|0.057181|0.065927|0.102602|0.127505|0.193887|0.102695|0.100357|0.083199|0.099746|0.095803|0.086977|0.114701|0.135238|0.148998|0.240852|0.123879|0.107890|0.220033|0.500000| |1.713638|1.862307|1.822419|1.922944|2.103099|2.165680|2.025377|2.960611|2.494882|2.319252|1.985346|2.628087|1.766459|3.340055|2.437509|4.148034|2.442581|3.126830|0.062181|1.966239|1.779665|1.806111|1.994498|2.359067|2.536364|0.066351|3.173677|3.419177|4.426652|5.894418|4.895577|3.618036|16.984977|17.671766|3.048201|0.043550|0.048165|0.047801|0.047161|0.051383|0.063425|0.056151|0.048646|0.045296|0.048712|0.068554|0.061427|0.076721|0.054856|0.052302|0.045535|0.048298|0.050629|0.045893|0.053218|0.054460|0.065710|0.070151|0.082424|0.121746|0.145107|0.089269|0.500000| |1.542578|1.680647|1.658384|1.767211|1.938982|1.976297|1.827406|2.789391|2.363996|2.275595|1.947569|2.527736|1.763226|3.386333|2.553829|4.336564|2.663917|3.503052|0.070773|2.152355|1.967288|2.028232|2.308839|2.790328|2.916013|0.074183|3.732760|3.808484|4.785963|7.056144|6.704217|4.581775|16.424634|17.581141|2.785298|0.039655|0.043212|0.042695|0.043014|0.047664|0.058307|0.050499|0.049192|0.044914|0.048888|0.069680|0.066365|0.085026|0.059344|0.056420|0.049616|0.053625|0.056404|0.051318|0.061938|0.063176|0.077616|0.085885|0.088598|0.120669|0.220923|0.113642|0.299954|0.500000| |1.675789|1.845887|1.846186|1.987737|2.172721|2.173933|1.992868|3.146860|2.718561|2.590374|2.174452|2.815435|1.939614|3.872513|2.809063|4.617364|2.909111|3.629545|0.073036|2.213709|1.981496|1.983441|2.220107|2.647569|2.886208|0.073226|3.701430|3.770756|4.729651|6.989889|6.685352|4.549210|16.416590|17.574680|3.297062|0.042837|0.046446|0.046711|0.047868|0.053959|0.063308|0.054211|0.053301|0.049105|0.054243|0.081565|0.072974|0.095228|0.060675|0.059175|0.050101|0.054346|0.054772|0.050005|0.058359|0.061631|0.071553|0.080295|0.087818|0.119179|0.223151|0.112985|0.300048|0.298354|0.500000| |2.941795|3.686623|3.616768|4.270026|5.816682|6.174331|4.566050|8.815782|8.882688|5.890998|4.475444|6.281793|3.355038|6.811868|4.450768|7.921425|3.497785|4.084179|0.074086|2.706563|2.243945|2.141215|2.169473|2.528302|3.116762|0.089525|3.672768|4.582504|5.097436|4.252845|3.505559|3.324655|7.280063|3.281607|17.580821|0.072639|0.080550|0.077386|0.084768|0.105894|0.204544|0.116868|0.089693|0.083732|0.085793|0.121596|0.085705|0.100106|0.080694|0.074354|0.059060|0.058405|0.062024|0.053093|0.055183|0.057903|0.069408|0.068102|0.130286|0.160689|0.085218|0.079350|0.087408|0.079344|0.090554|0.500000| |2.494513|3.031672|3.147820|3.775540|4.644321|4.315546|3.439859|7.708650|8.980337|6.922146|4.678680|5.977641|3.548616|9.152417|5.395954|8.456904|4.336726|4.688028|0.085776|2.961589|2.413998|2.261080|2.334213|2.738245|3.435650|0.093994|4.177926|4.839629|5.316396|4.877244|4.220258|3.963878|8.026898|3.703566|17.605834|0.062739|0.067072|0.067454|0.076852|0.100838|0.127788|0.087274|0.093464|0.085621|0.095244|0.173888|0.105559|0.131329|0.085187|0.082576|0.062451|0.063939|0.063977|0.055700|0.058596|0.063561|0.072821|0.075210|0.126180|0.146406|0.102790|0.094514|0.094911|0.088071|0.108208|0.302238|0.500000| 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