Version2.1 2021-01-14T03:05:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCC[C@H](C[NH+](Cc1c(nn(c1Oc2ccc(cc2)F)C)c3ccccc3)C(C)C)O C36313982 RHF 6-31G(d) (6D,7F) CCCC[C@H](C[NH+](Cc1c(nn(c1Oc2ccc(cc2)F)C)c3ccccc3)C(C)C)O C01[X(C26H35F1N3O2)] 195 C1 550 CCCC[C@H](C[NH+](C(C)C)Cc1c(nn(c1Oc1ccc(cc1)F)C)c1ccccc1)O CCCC[C@H](C[NH+](C(C)C)Cc1c(nn(c1Oc1ccc(cc1)F)C)c1ccccc1)O CCCC[C@@H](O)C[NH+](Cc1c(Oc2ccc(F)cc2)n(C)nc1c3ccccc3)C(C)C InChIKey=FXHGPKRJIYKFNK-JOCHJYFZSA-O InChI=1S/C26H34FN3O2/c1-5-6-12-22(31)17-30(19(2)3)18-24-25(20-10-8-7-9-11-20)28-29(4)26(24)32-23-15-13-21(27)14-16-23/h7-11,13-16,19,22,31H,5-6,12,17-18H2,1-4H3/p+1/t22-/m1/s1 InChI=1/C26H34FN3O2/c1-5-6-12-22(31)17-30(19(2)3)18-24-25(20-10-8-7-9-11-20)28-29(4)26(24)32-23-15-13-21(27)14-16-23/h7-11,13-16,19,22,31H,5-6,12,17-18H2,1-4H3/p+1/t22-/m1/s1/fC26H35FN3O2/h30H/q+1 CCCC[C@H](C[NH+](Cc1c(nn(c1Oc2ccc(cc2)F)C)c3ccccc3)C(C)C)O C01[X(C26H35F1N3O2)] 195 C01 550 CCCC[C@H](C[NH+](C(C)C)Cc1c(nn(c1Oc1ccc(cc1)F)C)c1ccccc1)O CCCC[C@H](C[NH](C(C)C)C[C]1[C]([N][N]([C]1O[C]1[CH][CH][C]([CH][CH]1)F)C)[C]1[CH][CH][CH][CH][CH]1)O CCCC[C@@H](O)C[NH](C[C]1[C]([N]N(C)[C]1O[C]2[CH][CH][C](F)[CH][CH]2)[C]3[CH][CH][CH][CH][CH]3)C(C)C InChIKey=GZQHVKRDXZPZLL-JOCHJYFZSA-N InChI=1S/C26H35FN3O2/c1-5-6-12-22(31)17-30(19(2)3)18-24-25(20-10-8-7-9-11-20)28-29(4)26(24)32-23-15-13-21(27)14-16-23/h7-11,13-16,19,22,30-31H,5-6,12,17-18H2,1-4H3/t22-/m1/s1 InChI=1/C26H35FN3O2/c1-5-6-12-22(31)17-30(19(2)3)18-24-25(20-10-8-7-9-11-20)28-29(4)26(24)32-23-15-13-21(27)14-16-23/h7-11,13-16,19,22,30-31H,5-6,12,17-18H2,1-4H3/t22-/m1/s1 3319.9505817496 -1417.2393374 1-A 18934.7329 118 432 550 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.38912 -20.73168 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3254.2726 3268.5268 3271.9066 3275.5737 3278.4744 3290.8105 3294.8722 3305.7472 3309.8509 3321.2295 3335.1003 3337.1145 3339.2658 3357.5805 3363.7007 3366.8576 3372.4427 3381.5367 3390.9457 3391.7133 3396.0287 3401.3943 3410.8370 3412.9298 3650.0013 4074.4707 5.2403 5.4375 4.1327 4.4800 4.6841 3.7023 2.5468 2.8919 3.3400 3.1099 3.1740 2.6705 1.6602 2.1598 3.5968 4.4918 3.3074 3.7273 2.6969 4.3093 3.6403 4.4289 4.3256 2.3253 1.2979 1.1347 2.7678 3.6995 1.4754 2.9729 4.2617 3.9611 2.2137 1.1820 3.6888 2.7463 4.9452 5.9040 3.4535 2.9474 2.7776 3.9141 3.8443 2.5432 3.2823 3.2515 4.3382 2.9078 3.2247 3.5009 4.3128 6.3750 6.3030 7.0498 6.1480 4.8115 3.9985 2.6770 2.0564 1.2049 3.9397 1.2687 2.8740 4.5941 3.1040 6.4871 1.2480 2.7224 3.9678 1.8416 1.2442 1.9998 2.2245 1.4012 2.9618 1.1992 1.5230 1.4556 1.3570 3.1094 2.2757 4.4239 1.3335 2.0470 2.4061 1.4576 3.0651 2.3434 1.3487 2.9719 2.7579 1.9869 1.9405 1.7499 2.0629 1.6943 1.6512 2.3264 1.9379 1.3479 1.8514 2.7528 1.2493 2.6456 2.6400 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832.37 838.85 925.36 956.45 973.73 988.40 1038.63 1051.91 1099.42 1106.59 1123.15 1130.46 1135.66 1172.71 1232.43 1237.35 1246.56 1277.38 1315.27 1331.17 1342.79 1370.60 1375.87 1392.74 1397.47 1412.63 1432.69 1469.87 1481.80 1496.99 1516.51 1528.66 1534.84 1550.93 1566.73 1568.76 1586.72 1598.21 1599.05 1614.09 1630.56 1638.27 1646.92 1660.25 1671.49 1699.30 1700.67 1703.74 1734.87 1751.35 1755.68 1784.91 1808.71 1817.12 1827.71 1832.67 1836.95 1850.91 1872.84 1895.53 1920.04 1923.25 1928.59 1960.15 2001.72 2009.23 2018.56 2031.45 2045.15 2069.26 2087.60 2100.27 2106.93 2113.85 2118.10 2154.82 2166.68 2201.37 2220.54 2229.64 2239.80 2259.23 2260.27 2261.28 2271.20 2282.48 2285.26 2294.46 2303.13 2316.74 2322.73 2340.74 2343.97 2345.90 2352.17 2353.49 2360.46 2364.67 2365.10 2369.14 2371.38 2375.32 2383.42 2385.64 2400.69 2425.96 2431.85 2461.36 2542.91 2566.88 2597.46 2607.89 2625.14 4571.11 4592.91 4605.47 4613.21 4626.25 4634.05 4640.41 4647.60 4673.44 4682.17 4702.68 4707.54 4712.82 4716.99 4734.74 4740.59 4756.23 4762.14 4778.51 4798.47 4801.36 4804.46 4830.81 4839.62 4844.16 4852.19 4865.28 4878.81 4879.92 4886.13 4893.85 4907.43 4910.44 5251.54 5862.25 0.620647 0.651344 0.652288 0.553785 -1416.618691 -1416.587994 -1416.587050 -1416.685553 3.303807D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE CCCC[C@H](C[NH+](Cc1c(nn(c1Oc2ccc(cc2)F)C)c3ccccc3)C(C)C)O C36313982 RHF 6-31G(d) (6D,10F) C1 440.271331 |X|Y|Z| 119.005933 57.091373 38.895674 64.172181 18 6 7 8 15 2 1 |36.858105| |12.468532|36.858105| |7.485080|12.449452|36.858105| |4.869825|7.479066|12.440908|36.858105| |3.735495|4.863953|7.456759|12.481943|36.858105| |3.686728|4.570690|6.988642|8.920454|17.613024|0.500000| |2.975177|3.760389|4.880501|7.555097|12.377535|0.244975|36.858105| |2.510095|3.000859|3.773667|4.977262|7.613703|0.183506|12.694851|53.358707| |2.585839|3.065616|3.913840|4.999800|7.773487|0.180562|9.567521|25.637824|0.500000| |2.174738|2.566934|3.042956|3.888605|5.008467|0.122090|7.622408|17.070891|0.258269|36.858105| |1.949626|2.238605|2.614930|3.153318|3.932487|0.099067|5.032702|10.326155|0.206509|12.795796|36.858105| |1.938906|2.199566|2.559416|2.997538|3.662458|0.091567|4.264415|7.935366|0.185658|7.242577|13.388579|36.858105| |1.726824|1.922176|2.199480|2.500165|2.971337|0.076647|3.348392|5.912552|0.132322|5.167308|8.496691|14.651982|53.358707| |1.626123|1.808478|2.058807|2.347853|2.785700|0.073203|3.222139|5.732871|0.119914|5.239299|8.709485|9.006397|19.380482|53.358707| |1.722366|1.942207|2.228256|2.605954|3.147433|0.082405|3.849765|7.200829|0.140899|7.428843|13.904109|8.695732|11.772705|19.475897|36.858105| |1.624278|1.824110|2.072783|2.411048|2.866436|0.076781|3.519200|6.253278|0.116017|6.114023|7.805984|5.430024|7.462647|11.059128|14.253630|73.516695| |1.497700|1.675825|1.866734|2.156768|2.475441|0.066053|3.003388|4.953636|0.092626|4.772173|5.557316|4.295540|6.028676|8.293915|8.040987|24.371443|36.858105| |1.391921|1.543534|1.706043|1.943168|2.202754|0.059834|2.614193|4.172475|0.078020|3.730898|4.074147|3.328265|4.700228|6.100469|5.336402|14.428839|13.770693|36.858105| |1.291503|1.425834|1.553942|1.756477|1.947557|0.052775|2.279565|3.508613|0.066272|3.082400|3.283632|2.798630|3.949844|4.866657|4.018584|9.345503|7.974400|13.788401|36.858105| |1.279563|1.415891|1.531192|1.734878|1.900009|0.050840|2.224678|3.375059|0.064299|3.016172|3.218305|2.794912|3.932547|4.723835|3.824413|8.219275|6.970389|8.003504|13.795904|36.858105| |1.358883|1.514136|1.642013|1.878876|2.063111|0.054403|2.444609|3.740313|0.071592|3.479119|3.799258|3.286681|4.601276|5.524398|4.506057|9.193228|7.979723|6.864683|7.911019|13.849249|36.858105| |1.478360|1.658662|1.826205|2.114986|2.376811|0.062300|2.875899|4.585843|0.087247|4.516605|5.223512|4.262134|5.937641|7.581941|6.685876|13.909168|13.801876|7.909093|6.849778|7.989531|13.723814|36.858105| |1.190505|1.309857|1.401665|1.573446|1.697617|0.045524|1.957115|2.903959|0.055744|2.525916|2.649453|2.366232|3.321259|3.849733|3.031505|6.220501|4.695310|5.313496|8.170675|14.385493|8.180834|5.305612|97.533100| |1.451376|1.591955|1.786434|1.995524|2.311751|0.061752|2.603290|4.393994|0.091084|3.798753|5.276320|5.456588|10.736122|17.860819|7.586491|11.393977|5.617371|4.528396|3.708577|3.560952|4.007781|5.106802|6.591691|36.858105| |2.148374|2.447952|2.867947|3.337138|4.023880|0.097176|4.377480|7.431429|0.192039|5.827777|7.303336|12.832458|10.658630|7.323387|5.226386|6.866906|3.257851|2.662048|2.319238|2.339814|2.706888|3.305797|4.589603|3.946853|36.858105| |2.300132|2.676259|3.082520|3.679920|4.202310|0.097266|4.608356|6.976790|0.170203|5.566233|5.893654|7.614866|7.286622|5.703617|4.301901|6.024762|2.992793|2.469913|2.200816|2.260993|2.634607|3.141398|4.489820|3.247182|13.678500|36.858105| |2.512433|2.910584|3.299570|3.792581|4.066711|0.093867|4.070405|5.657493|0.136712|4.148344|4.175376|5.044843|5.455717|4.436388|3.293456|4.852077|2.458912|2.095602|1.899144|1.949147|2.226630|2.565735|3.943996|2.673088|7.893472|13.739454|36.858105| |2.539673|2.846762|3.252244|3.513624|3.796913|0.090758|3.563321|5.027987|0.123911|3.507571|3.625451|4.459440|5.101851|4.119318|2.972024|4.420244|2.224019|1.927154|1.745641|1.771954|1.990991|2.275695|3.604327|2.541900|6.834102|7.931217|13.733320|36.858105| |2.339270|2.575805|3.001665|3.209632|3.659909|0.090575|3.449560|5.183445|0.131435|3.566797|3.888117|5.055634|5.935185|4.618321|3.228506|4.718466|2.324999|2.012957|1.801960|1.808348|2.020933|2.334887|3.654012|2.837281|7.905901|6.879345|7.937961|13.734948|36.858105| |2.164801|2.408751|2.834782|3.139426|3.755834|0.093572|3.756875|6.135382|0.160134|4.349765|5.153355|7.638693|8.556850|6.102096|4.157011|5.771399|2.759169|2.336814|2.052823|2.048445|2.310529|2.742548|4.074357|3.553603|13.685352|7.937606|6.869263|7.927242|13.757448|36.858105| |2.352710|2.722744|3.408828|4.150176|6.067660|0.178610|7.578498|16.911050|0.258063|7.327195|5.846785|4.658941|5.253576|5.368934|4.866908|8.152502|3.540950|3.121695|2.581702|2.400582|2.570332|3.105515|4.653486|3.161861|4.196240|3.762257|3.219525|3.034647|3.244111|3.798940|36.858105| |2.151945|2.412851|2.973790|3.395710|4.663255|0.136693|5.063585|10.272572|0.212823|5.681562|5.705945|5.012890|5.964662|6.036119|5.090382|8.171808|3.454891|3.057823|2.510309|2.318270|2.472318|2.992954|4.496044|3.572508|4.408691|3.652644|3.135811|3.084957|3.495626|4.256728|12.485706|36.858105| |2.089458|2.395512|2.866503|3.438019|4.471042|0.131290|5.754769|10.194999|0.157950|6.397434|5.133100|3.909663|4.651798|5.075725|4.778036|9.102657|3.998077|3.656258|2.963219|2.673765|2.792250|3.352996|5.132784|3.102255|3.387212|3.124763|2.687114|2.503367|2.628898|3.032621|12.500394|7.486050|36.858105| |3.500881|4.280341|6.241055|7.769009|13.554399|0.266257|7.960855|9.708893|0.255862|4.864673|4.172885|4.191337|4.554189|4.090414|3.282718|5.112384|2.454529|2.160611|1.904197|1.864313|2.039780|2.367455|3.742036|2.468119|4.979697|5.025632|5.001335|4.939788|4.891409|4.910484|5.641846|4.990373|3.988504|73.516695| |17.544119|8.773456|6.781407|4.497716|3.622117|0.098570|2.864287|3.367694|0.072119|2.144368|1.951613|1.971535|2.396043|2.235210|1.722585|2.864285|1.480938|1.372147|1.271231|1.260513|1.341902|1.463230|2.636572|1.466736|2.214716|2.361787|2.626532|2.724084|2.505041|2.272058|2.315004|2.159888|2.030901|6.371306|0.500000| |17.546067|8.774970|6.778844|4.501528|3.618130|0.103618|2.882977|3.340960|0.069690|2.109630|1.892697|1.868556|2.278466|2.162193|1.685608|2.847378|1.473491|1.378414|1.277099|1.257526|1.327146|1.442920|2.632591|1.423789|2.041883|2.148377|2.303121|2.336592|2.200688|2.064257|2.361062|2.162264|2.109295|5.944872|0.301595|0.500000| |17.568629|8.791917|5.464123|4.046361|3.167286|0.086172|2.636229|3.057510|0.063840|1.989164|1.792821|1.782735|2.176794|2.056980|1.596407|2.688914|1.407773|1.313261|1.227106|1.220492|1.293994|1.397138|2.569144|1.357817|1.963983|2.113908|2.309267|2.317166|2.123607|1.968558|2.103909|1.930605|1.900784|5.289212|0.301866|0.301913|0.500000| |8.860139|17.512313|8.853533|6.872176|4.544161|0.112956|3.663711|4.008256|0.084288|2.579811|2.261297|2.245084|2.661184|2.483754|1.951142|3.233262|1.680672|1.538461|1.426580|1.428228|1.537968|1.682213|2.977316|1.603203|2.535966|2.845771|3.175634|3.064207|2.686966|2.477854|2.600659|2.319990|2.291849|7.395868|0.210656|0.172953|0.213151|0.500000| |8.859945|17.517058|8.854422|6.888544|4.538170|0.120733|3.703692|3.964676|0.080528|2.520815|2.172019|2.097756|2.504234|2.385741|1.898550|3.209616|1.670069|1.547398|1.434937|1.424010|1.516126|1.651920|2.971774|1.548190|2.287348|2.495774|2.650306|2.544163|2.323634|2.217023|2.666658|2.323509|2.405929|6.757495|0.172938|0.210768|0.213062|0.303894|0.500000| |6.881210|8.852739|17.514948|8.866138|6.839067|0.210451|4.576418|4.953595|0.103075|2.898324|2.501847|2.421855|2.867575|2.717354|2.164948|3.625191|1.830209|1.689552|1.535479|1.499730|1.593510|1.769233|3.089942|1.745039|2.649012|2.763689|2.883331|2.874887|2.744549|2.640099|3.478630|3.034528|2.947339|9.933246|0.169277|0.204056|0.140612|0.173660|0.211651|0.500000| |6.878584|8.849395|17.536091|8.837982|6.865664|0.175986|4.503779|5.041480|0.111385|2.989852|2.641747|2.657549|3.111034|2.865447|2.244398|3.660141|1.844516|1.678229|1.525479|1.504852|1.619127|1.806863|3.096518|1.825276|3.059490|3.264328|3.601891|3.701026|3.409132|3.118007|3.337298|3.027911|2.745696|12.396438|0.204019|0.169169|0.140584|0.211494|0.173668|0.304192|0.500000| |4.534013|6.873030|8.809581|17.476594|8.894120|0.174750|6.867635|6.442091|0.134959|3.936897|3.216946|3.112348|3.499823|3.242923|2.627379|4.265615|2.168534|1.934439|1.759346|1.759360|1.926796|2.166185|3.596340|2.016786|3.563476|4.155011|4.430201|3.933340|3.419768|3.287306|3.750975|3.146322|3.153053|12.560656|0.119354|0.111255|0.108763|0.207425|0.172149|0.173351|0.209583|0.500000| |4.534613|6.846829|8.842214|17.515818|8.907515|0.210731|7.137553|6.278629|0.121316|3.735702|2.976468|2.754597|3.167756|3.036574|2.505014|4.214289|2.145751|1.952336|1.774465|1.750162|1.882562|2.101222|3.583304|1.912399|2.960206|3.243963|3.257928|2.982945|2.756001|2.746720|3.972561|3.167925|3.479519|10.080421|0.111199|0.119829|0.108606|0.170252|0.206975|0.212695|0.173474|0.303765|0.500000| |2.929352|3.755166|4.614772|7.226404|8.851223|0.174490|17.634409|12.409008|0.218063|7.601161|5.022060|4.340986|4.578260|4.342821|3.780470|6.057365|2.993001|2.571584|2.275152|2.266809|2.533788|2.968377|4.503048|2.573144|4.588512|5.268315|4.620975|3.803692|3.520102|3.780308|5.580659|4.170623|4.640658|12.092989|0.078426|0.077054|0.073215|0.106102|0.102816|0.114479|0.119107|0.215492|0.190240|0.500000| |2.851883|3.573168|4.458931|6.537778|8.701369|0.216996|17.626265|12.253057|0.183995|6.514730|4.395287|3.634475|4.049263|4.030349|3.574166|6.114013|2.985830|2.657855|2.326814|2.250026|2.433548|2.824021|4.466867|2.448164|3.582963|3.723887|3.334157|2.966079|2.890253|3.131719|7.170446|4.622752|6.388535|10.203719|0.074775|0.078089|0.070942|0.094818|0.101828|0.121419|0.110066|0.158634|0.199646|0.301875|0.500000| |2.259271|2.709234|3.160887|4.143580|5.033482|0.116862|7.689428|12.470559|0.216213|17.674839|8.954539|6.476838|6.321456|6.111715|5.787534|8.648852|4.177107|3.319089|2.856997|2.886613|3.386729|4.254399|5.535355|3.379907|5.877718|6.462395|4.718112|3.752182|3.624368|4.255376|5.523556|4.443193|4.911538|8.596327|0.061730|0.060038|0.057703|0.077149|0.073952|0.081478|0.085835|0.122427|0.110513|0.262138|0.176807|0.500000| |2.050339|2.405481|2.802818|3.535723|4.384505|0.111759|6.577342|12.247406|0.181567|17.687149|8.928764|5.461658|5.948447|6.496483|7.000401|12.196016|5.452070|4.293595|3.482346|3.344248|3.796262|4.938878|6.210331|3.645337|4.422951|4.283189|3.389672|2.930943|2.971610|3.517642|6.933156|5.168070|7.521847|7.186780|0.055601|0.055731|0.052466|0.066579|0.066809|0.075441|0.075130|0.097600|0.098266|0.176965|0.181024|0.304255|0.500000| |1.391448|1.536299|1.706506|1.930812|2.205824|0.060813|2.591097|4.158525|0.077571|3.567751|3.845570|3.160336|4.458154|5.728049|4.961504|13.361063|8.948768|17.741881|8.895605|5.665464|4.949782|5.646550|9.594533|4.282673|2.552449|2.342886|2.007214|1.869478|1.969323|2.282453|3.251726|3.231198|3.918936|3.837753|0.038089|0.038504|0.036373|0.042228|0.042795|0.047369|0.046612|0.052785|0.053928|0.069400|0.073757|0.086541|0.113981|0.500000| |1.224693|1.343913|1.457871|1.632873|1.798310|0.049143|2.075978|3.151256|0.059715|2.684635|2.815333|2.443492|3.445548|4.147476|3.353437|7.541519|5.650178|8.880801|17.748939|8.952982|5.649525|4.942639|16.707116|3.199920|2.066503|1.965877|1.721581|1.596800|1.648380|1.858469|2.356663|2.299853|2.715723|3.115883|0.033445|0.033762|0.032399|0.037228|0.037666|0.040222|0.039696|0.045210|0.045989|0.057203|0.059278|0.069405|0.083663|0.212449|0.500000| |1.331130|1.481912|1.592798|1.816894|1.966773|0.051529|2.308214|3.461287|0.066980|3.181540|3.434988|3.077917|4.284222|4.911855|3.876457|7.402941|5.654852|4.950344|5.647975|8.972747|17.748479|8.867639|16.722871|3.552964|2.608541|2.593143|2.213312|1.967526|1.973818|2.228581|2.341984|2.249366|2.493335|3.466905|0.036544|0.035958|0.035363|0.042083|0.041203|0.042693|0.043679|0.052242|0.050524|0.067419|0.063464|0.088800|0.094100|0.107513|0.124667|0.500000| |1.553546|1.752850|1.934168|2.257229|2.538937|0.065439|3.088842|4.952310|0.095715|5.076598|6.143754|5.095015|6.935980|8.444304|7.332475|12.519961|8.890542|5.627768|4.941922|5.675180|8.925359|17.742749|9.613369|5.227751|3.875544|3.720735|2.948761|2.560848|2.608919|3.097461|3.204672|3.084909|3.317266|4.553862|0.042857|0.041846|0.040724|0.049760|0.048211|0.051523|0.053434|0.065081|0.061676|0.090500|0.082269|0.137616|0.145465|0.124135|0.107383|0.213969|0.500000| |1.387682|1.521148|1.687746|1.883565|2.142704|0.056843|2.413235|3.956751|0.081660|3.467524|4.631978|4.824509|9.004984|12.392854|6.218226|9.758220|5.452032|4.410209|3.811380|3.837712|4.447541|5.488319|7.140473|17.615002|3.648011|3.119709|2.586593|2.432823|2.659318|3.248565|2.784230|3.034165|2.756927|4.038961|0.038921|0.037678|0.036265|0.042807|0.041186|0.045563|0.047795|0.053363|0.050349|0.067421|0.063291|0.088741|0.093144|0.110873|0.090532|0.111647|0.157975|0.500000| |1.411691|1.545689|1.733431|1.933715|2.241541|0.060658|2.534988|4.264349|0.086328|3.645131|4.798400|4.565746|7.935353|12.500225|7.102395|12.790649|6.337387|5.418414|4.237565|3.848491|4.124180|5.184544|7.012170|17.654918|3.410175|2.877894|2.406401|2.292303|2.533975|3.102630|3.184770|3.588525|3.248926|4.179429|0.039444|0.038688|0.036708|0.042964|0.042005|0.047438|0.048841|0.053752|0.051965|0.068735|0.067442|0.088688|0.101008|0.147302|0.101736|0.098208|0.136214|0.299520|0.500000| |1.432352|1.558216|1.749847|1.928119|2.230629|0.059913|2.448425|4.094061|0.086813|3.379249|4.548141|5.046575|10.161016|12.604852|5.815004|8.745422|4.293552|3.667475|3.100945|2.979071|3.277757|3.969598|5.700677|17.665055|3.864016|3.120287|2.625009|2.563945|2.930392|3.673331|2.982104|3.480594|2.854283|4.303945|0.040451|0.039071|0.037183|0.043543|0.041854|0.047568|0.050100|0.054009|0.050951|0.066832|0.063567|0.084355|0.088608|0.099469|0.076628|0.082951|0.114017|0.299750|0.299698|0.500000| |2.210575|2.596585|2.936423|3.589464|4.004534|0.092736|4.696250|6.937557|0.155518|6.153224|6.189539|7.022876|6.862109|5.710840|4.493367|6.376399|3.244837|2.637626|2.364266|2.466580|2.932516|3.514862|4.877217|3.249139|8.887624|17.705676|8.935050|5.648567|4.955660|5.640890|3.677603|3.432325|3.179403|7.857619|0.062111|0.057411|0.056964|0.076934|0.068558|0.073336|0.083887|0.113677|0.090704|0.157639|0.107736|0.221922|0.132440|0.068376|0.058134|0.080903|0.118902|0.088388|0.080638|0.084295|0.500000| |2.583349|3.021252|3.302309|3.794328|3.816514|0.087951|3.824146|5.031520|0.115851|3.730355|3.615494|4.108826|4.594774|3.887983|2.924701|4.430761|2.294565|1.974899|1.813619|1.876589|2.140234|2.422366|3.834135|2.393412|5.627501|8.917747|17.714830|8.903112|5.643458|4.950364|2.897418|2.755293|2.483111|7.836208|0.074591|0.064840|0.066791|0.094251|0.076644|0.078901|0.098539|0.128154|0.091692|0.124449|0.088950|0.121132|0.087309|0.052350|0.045836|0.059753|0.076951|0.065191|0.060541|0.064814|0.215948|0.500000| |2.642805|2.905164|3.228501|3.344706|3.449512|0.083722|3.151022|4.298681|0.102682|2.976687|3.019294|3.562917|4.226447|3.521886|2.546347|3.881262|1.979190|1.740298|1.592121|1.617331|1.800938|2.025689|3.322198|2.230277|4.932214|5.641787|8.905598|17.722266|8.907321|5.641655|2.670087|2.697739|2.240397|7.729021|0.080202|0.066735|0.067368|0.088099|0.071186|0.078703|0.103713|0.104306|0.079029|0.093043|0.074445|0.088359|0.070967|0.047032|0.040751|0.049681|0.062581|0.059709|0.056476|0.062701|0.124224|0.214553|0.500000| |2.281602|2.448741|2.829430|2.914465|3.274745|0.083552|3.016038|4.476834|0.110545|3.042629|3.296621|4.118726|5.117674|4.108794|2.845248|4.254695|2.109336|1.856159|1.669851|1.667152|1.840554|2.100936|3.391827|2.609679|5.635157|4.956228|5.645508|8.911276|17.728856|8.932518|2.936172|3.227759|2.406855|7.636020|0.068721|0.059997|0.057575|0.070319|0.061120|0.072899|0.090276|0.084594|0.069983|0.083915|0.071778|0.084597|0.072331|0.050839|0.042776|0.049908|0.064206|0.067857|0.065374|0.076174|0.107589|0.124075|0.214793|0.500000| |2.013876|2.207487|2.591886|2.822129|3.397710|0.087799|3.399062|5.679238|0.143806|4.006165|4.912644|7.085555|9.115780|6.498083|4.227740|5.892033|2.778710|2.375446|2.071096|2.041628|2.276453|2.702877|4.052815|3.866193|8.921268|5.648748|4.951545|5.641191|8.914319|17.735496|3.768785|4.527619|3.030816|7.672563|0.058631|0.054010|0.050947|0.062220|0.056823|0.068528|0.078692|0.080084|0.069628|0.092323|0.080764|0.104482|0.092634|0.065187|0.052280|0.060410|0.083257|0.095419|0.093368|0.115498|0.124095|0.107508|0.124084|0.215298|0.500000| |2.614975|3.037500|3.933310|4.738234|7.281111|0.249130|7.791620|12.521973|0.215671|5.569125|4.508911|3.859692|4.433381|4.429783|3.828173|6.485038|2.965416|2.681819|2.278398|2.133280|2.263586|2.660685|4.207780|2.699197|3.705123|3.433107|3.073277|2.948889|3.111292|3.484230|17.665212|9.003226|8.961131|11.097866|0.070995|0.073863|0.064059|0.078679|0.082631|0.115417|0.105378|0.112583|0.125863|0.151285|0.212550|0.129336|0.147481|0.077617|0.058599|0.058038|0.076163|0.067075|0.075321|0.071878|0.092253|0.077865|0.073454|0.079515|0.095288|0.500000| |2.067369|2.278453|2.779395|3.072960|4.054087|0.124497|4.217617|7.533478|0.151959|4.406207|4.387287|3.947265|4.944407|5.104227|4.175105|7.118739|3.118323|2.872084|2.380479|2.171463|2.268038|2.683001|4.253531|3.206019|3.553451|3.033244|2.687573|2.683453|3.019056|3.534207|8.947623|17.578227|6.841210|7.481151|0.057519|0.058480|0.051616|0.060185|0.061297|0.080657|0.078205|0.078072|0.080892|0.097539|0.112291|0.100175|0.117608|0.086268|0.061608|0.057324|0.075306|0.076185|0.091664|0.087927|0.079806|0.066742|0.066674|0.079655|0.105667|0.220773|0.500000| |2.284078|2.548935|3.192040|3.574712|4.975190|0.143547|4.964981|9.532895|0.232841|5.150040|5.301576|5.188565|6.073343|5.711904|4.532047|6.958268|3.054439|2.691793|2.261032|2.127004|2.288336|2.740776|4.170872|3.387094|4.947958|3.981198|3.482946|3.544609|4.168752|5.110977|8.779020|17.566569|5.462950|10.511473|0.064602|0.063417|0.056457|0.068262|0.066896|0.089645|0.093053|0.092422|0.089524|0.115529|0.119741|0.118282|0.123598|0.077595|0.057674|0.058730|0.079980|0.080762|0.091557|0.094208|0.099635|0.083182|0.085255|0.107425|0.153429|0.214160|0.302560|0.500000| |1.951184|2.178116|2.615102|2.985742|3.908882|0.110062|4.413871|8.982089|0.184579|5.924135|6.825604|5.838611|7.267838|7.778138|6.620885|10.296059|4.071726|3.521065|2.810472|2.572413|2.758376|3.423690|4.910838|4.448182|4.646062|3.712752|3.095076|3.012212|3.445392|4.364772|8.734634|17.635654|6.792227|7.462738|0.054486|0.054096|0.049178|0.058955|0.058479|0.073062|0.074021|0.078995|0.078104|0.106612|0.112850|0.125372|0.150864|0.103646|0.070634|0.068782|0.097622|0.100796|0.125069|0.118876|0.097973|0.075230|0.072588|0.087752|0.132533|0.174252|0.302089|0.300250|0.500000| |2.153631|2.504259|2.962652|3.640894|4.570260|0.132246|6.215279|9.413357|0.142610|6.168720|4.595547|3.532370|4.171753|4.495342|4.196604|8.044717|3.779602|3.488648|2.911542|2.664522|2.780926|3.274616|5.161823|2.779629|3.143792|3.022832|2.627604|2.409577|2.466554|2.783263|8.722956|5.447484|17.562023|6.830959|0.057391|0.060307|0.054660|0.066490|0.071122|0.084374|0.076957|0.092476|0.106435|0.140350|0.217833|0.140309|0.215850|0.101455|0.074367|0.069566|0.090007|0.070355|0.080217|0.070752|0.087350|0.068768|0.060414|0.062547|0.075695|0.210101|0.139753|0.122207|0.139231|0.500000| |2.017534|2.271878|2.700812|3.118588|3.942730|0.121050|4.621286|7.516206|0.127525|4.717975|4.093514|3.320836|4.092686|4.454673|3.974849|7.670906|3.490667|3.343153|2.752788|2.453242|2.504795|2.927900|4.778471|2.835021|2.939327|2.705204|2.385653|2.269564|2.399438|2.724075|8.973729|6.811291|17.583173|6.321257|0.054450|0.057300|0.051021|0.059728|0.063533|0.078858|0.071936|0.078485|0.088031|0.105439|0.142464|0.106921|0.146859|0.102512|0.071705|0.062373|0.079422|0.069990|0.083604|0.073738|0.075474|0.061519|0.057161|0.062173|0.076861|0.221759|0.203576|0.140076|0.167161|0.303249|0.500000| 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