Version2.0 2020-01-26T01:36:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 19-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C)C(=O)CCc3ccccc3 C35808231 RHF 6-31G(d) (6D,7F) CCOCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C)C(=O)CCc3ccccc3 C01[X(C29H35F1N2O3S1)] 207 C1 614 CCOCCCN(C(=O)CCc1ccccc1)CC(=O)N(Cc1ccc(s1)C)Cc1ccc(cc1)F CCOCCCN(C(=O)CCc1ccccc1)CC(=O)N(Cc1ccc(s1)C)Cc1ccc(cc1)F CCOCCCN(CC(=O)N(Cc1sc(C)cc1)Cc2ccc(F)cc2)C(=O)CCc3ccccc3 InChIKey=FGDKPVQAPPBAAL-UHFFFAOYSA-N InChI=1S/C29H35FN2O3S/c1-3-35-19-7-18-31(28(33)17-13-24-8-5-4-6-9-24)22-29(34)32(21-27-16-10-23(2)36-27)20-25-11-14-26(30)15-12-25/h4-6,8-12,14-16H,3,7,13,17-22H2,1-2H3 InChI=1/C29H35FN2O3S/c1-3-35-19-7-18-31(28(33)17-13-24-8-5-4-6-9-24)22-29(34)32(21-27-16-10-23(2)36-27)20-25-11-14-26(30)15-12-25/h4-6,8-12,14-16H,3,7,13,17-22H2,1-2H3 CCOCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C)C(=O)CCc3ccccc3 C01[X(C29H35F1N2O3S1)] 207 C01 614 CCOCCCN(C(=O)CCc1ccccc1)CC(=O)N(Cc1ccc(s1)C)Cc1ccc(cc1)F CCOCCCN(C(=O)CCc1ccccc1)CC(=O)N(Cc1ccc(s1)C)Cc1ccc(cc1)F CCOCCCN(CC(=O)N(Cc1sc(C)cc1)Cc2ccc(F)cc2)C(=O)CCc3ccccc3 InChIKey=FGDKPVQAPPBAAL-UHFFFAOYSA-N InChI=1S/C29H35FN2O3S/c1-3-35-19-7-18-31(28(33)17-13-24-8-5-4-6-9-24)22-29(34)32(21-27-16-10-23(2)36-27)20-25-11-14-26(30)15-12-25/h4-6,8-12,14-16H,3,7,13,17-22H2,1-2H3 InChI=1/C29H35FN2O3S/c1-3-35-19-7-18-31(28(33)17-13-24-8-5-4-6-9-24)22-29(34)32(21-27-16-10-23(2)36-27)20-25-11-14-26(30)15-12-25/h4-6,8-12,14-16H,3,7,13,17-22H2,1-2H3 3856.6800518678 -1949.0096536 1-A 28948.1549 136 478 614 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.97084 -26.30336 -20.55987 -20.52664 -20.51924 -15.59539 -15.58470 -11.35105 -11.34202 -11.31855 -11.28855 -11.27696 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0.8571 0.7412 0.7489 0.8240 0.3601 0.1155 0.2107 0.8567 0.8562 0.0587 0.0449 0.2192 0.1499 0.2560 0.2910 0.7993 0.2038 0.4975 0.1395 0.4333 0.8563 0.8484 0.8370 0.8571 0.7704 0.5420 0.6663 0.5603 0.5188 0.3788 0.8516 0.6801 0.7163 0.8570 0.8571 0.2016 0.8447 0.2924 0.4133 0.2607 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 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 60 61 62 63 64 65 66 67 68 69 70 71 6 6 8 6 6 6 7 6 6 8 7 6 6 6 6 6 6 6 9 6 6 6 6 6 16 6 6 8 6 6 6 6 6 6 6 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 1 1 1 1 1 1 1 1 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 19882.1260 33740.7648 51600.5636 0.99998 0.00617 -0.00113 -0.00617 0.99998 0.00181 0.00115 -0.00180 1.00000 1 0.00436 0.00257 0.00168 0.09077 0.05349 0.03498 10.62 14.57 20.10 24.34 26.88 32.69 34.90 46.68 53.84 64.61 69.06 77.76 94.79 101.87 117.68 128.57 149.82 168.46 181.70 184.70 204.58 214.28 228.23 241.02 273.59 292.53 296.66 372.31 385.05 396.13 397.19 421.07 470.20 492.66 525.36 536.40 550.39 563.31 578.42 629.20 648.93 656.43 658.43 672.97 707.42 730.84 752.54 769.02 784.88 801.66 850.21 853.04 867.75 889.92 895.14 922.03 965.81 980.72 1005.79 1015.62 1041.65 1055.21 1080.94 1117.20 1124.99 1165.12 1170.28 1208.69 1214.60 1236.51 1249.56 1278.36 1291.61 1320.52 1332.24 1345.73 1357.09 1367.05 1369.73 1378.77 1408.44 1439.92 1469.24 1487.13 1506.24 1527.55 1547.33 1553.07 1567.83 1580.64 1591.35 1596.91 1598.24 1605.37 1612.73 1618.65 1627.36 1633.93 1644.10 1654.89 1675.85 1681.00 1684.51 1702.84 1705.71 1752.09 1786.69 1805.43 1825.46 1835.71 1845.76 1846.85 1853.98 1869.99 1870.55 1872.62 1898.77 1901.68 1915.44 1919.37 1924.65 1938.82 1947.12 1992.65 1997.76 2026.82 2044.85 2053.14 2059.43 2069.37 2075.52 2089.85 2092.91 2113.67 2132.84 2140.38 2185.92 2194.13 2210.15 2215.55 2219.22 2240.10 2256.31 2266.45 2275.18 2309.08 2323.53 2326.36 2329.10 2330.81 2334.73 2336.30 2344.05 2354.47 2360.22 2364.49 2365.86 2367.95 2372.27 2401.39 2404.93 2410.44 2434.46 2442.66 2456.69 2567.34 2577.38 2580.03 2607.29 2621.93 2753.97 2771.81 4534.98 4562.06 4574.85 4595.16 4616.55 4622.83 4626.79 4635.47 4665.18 4667.05 4670.03 4678.95 4687.18 4688.20 4696.39 4697.02 4715.97 4732.00 4732.97 4739.92 4771.46 4787.21 4812.34 4813.02 4814.86 4816.39 4834.34 4835.38 4850.55 4863.40 4870.07 4872.33 4886.44 4888.45 4896.46 0.637626 0.672113 0.673057 0.560241 -1948.372027 -1948.337541 -1948.336596 -1948.449413 3.783901D-04 MUNgauss RevisionA2.0 retrievium 26-Jan-2020 DUDE CCOCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C)C(=O)CCc3ccccc3 C35808231 RHF 6-31G(d) (6D,10F) C1 510.235243 |X|Y|Z| 133.359367 101.971146 27.664526 72.189609 26 6 7 16 23 2 1 |36.858105| |12.566223|36.858105| |8.049399|13.629221|73.516695| |5.208773|8.103510|24.295122|36.858105| |4.040257|5.203798|14.318367|12.532802|36.858105| |3.124136|3.905973|9.070463|7.527523|12.462771|36.858105| |2.647061|3.114150|6.982457|4.973413|7.664488|13.076919|53.358707| |2.435662|2.798299|6.109119|4.129331|5.761167|7.716116|18.020705|36.858105| |2.148725|2.469845|5.151363|3.482372|4.331440|5.917219|10.561211|12.410664|36.858105| |2.105092|2.450788|5.033692|3.477277|4.162369|6.027845|9.704408|8.025227|15.843578|73.516695| |1.952558|2.198099|4.483761|2.915303|3.464278|4.261234|6.997751|7.663753|14.006944|15.101311|53.358707| |1.751217|1.963088|3.899631|2.514585|2.851244|3.453722|5.314572|4.968404|7.850446|12.492637|17.751059|36.858105| |1.566749|1.732378|3.417650|2.166859|2.451326|2.911399|4.567415|4.063483|5.646981|9.466504|10.416698|12.555462|36.858105| |1.431608|1.564198|3.048980|1.899196|2.110763|2.424992|3.710011|3.226508|4.094235|6.869431|7.249762|7.542643|13.739248|36.858105| |1.313390|1.423636|2.760726|1.703590|1.885158|2.139945|3.272645|2.757768|3.326112|5.692954|5.452738|4.998900|7.874096|13.719179|36.858105| |1.303250|1.413461|2.749624|1.700555|1.894687|2.166581|3.360120|2.771987|3.301774|5.761511|5.133687|4.450221|6.893419|8.027313|13.863582|36.858105| |1.399815|1.530374|3.003664|1.879689|2.123665|2.484870|3.945411|3.237661|3.948657|7.018058|5.921644|5.004877|7.886538|6.884372|7.905633|13.795514|36.858105| |1.543568|1.706596|3.380135|2.148517|2.456816|2.956360|4.771692|4.063857|5.435479|9.627461|8.429785|7.526864|13.660632|7.969594|6.865293|8.012393|13.788390|36.858105| |1.202983|1.295308|2.504323|1.534536|1.696436|1.911343|2.933692|2.366294|2.713927|4.767640|4.086826|3.394698|4.652564|5.308487|8.168975|14.312370|8.156381|5.308315|97.533100| |1.910488|2.104513|4.292645|2.694337|3.201481|3.649921|5.963590|6.504620|7.628775|9.430066|17.844993|7.712110|6.062811|4.962468|3.862332|3.552881|3.876246|4.975903|6.515052|36.858105| |1.906419|2.083436|4.178862|2.575272|2.939691|3.205169|4.844629|4.828740|5.359072|7.415167|10.453902|6.144327|4.766481|4.358928|3.419725|3.028423|3.139576|3.814219|5.708111|12.638759|36.858105| |1.719039|1.848626|3.640743|2.198961|2.450458|2.615109|3.888628|3.631508|3.954704|5.848823|7.162228|4.883057|4.218063|4.255343|3.428480|2.944364|2.918757|3.379412|5.644716|7.451485|14.177519|36.858105| |1.724539|1.840966|3.571645|2.127434|2.307008|2.402785|3.444503|3.092390|3.285024|5.042335|5.511616|3.866162|3.329665|3.386187|2.825458|2.455944|2.424287|2.751680|4.827065|5.029267|8.188962|13.238415|36.858105| |1.919440|2.064444|4.003142|2.387708|2.557295|2.632317|3.670689|3.280131|3.433605|5.288169|5.545684|3.782012|3.113405|3.038907|2.536378|2.254030|2.274526|2.615359|4.438326|4.781183|7.601968|8.188161|14.171796|36.858105| |2.173829|2.401138|4.798895|2.957346|3.273937|3.456363|4.851415|4.609432|4.842034|7.053054|7.887574|4.822246|3.654913|3.326188|2.708201|2.455045|2.566706|3.070637|4.745593|6.700280|10.942482|7.483032|7.482640|10.943882|388.023441| |1.938777|2.064461|3.912530|2.291562|2.372164|2.383905|3.223415|2.756682|2.833632|4.523734|4.331675|3.020913|2.548348|2.501298|2.145979|1.931864|1.946100|2.199174|3.870636|3.516086|4.792363|5.030336|7.436529|12.691641|47.948628|36.858105| |2.349934|2.698781|5.843427|3.960734|5.458906|7.621357|19.009919|8.013712|6.122084|10.868290|5.987393|3.545968|3.256644|2.652563|2.405429|2.546827|3.060662|3.607610|5.057752|3.804883|3.058021|2.543078|2.241277|2.329163|20.875837|2.058440|36.858105| |2.080016|2.332441|4.932771|3.212017|4.193813|5.316405|11.599073|7.244018|5.999284|10.134001|6.244961|3.702701|3.571215|2.886743|2.651616|2.869527|3.534458|4.132729|5.677294|4.059715|3.137690|2.633728|2.272768|2.308460|20.373657|2.014000|15.824884|73.516695| |2.386825|2.753537|5.864687|3.960896|5.077134|6.512678|10.480742|5.043668|4.304177|8.193020|4.535028|2.870102|2.683557|2.252094|2.083388|2.216301|2.620294|2.970108|4.503432|2.932386|2.480812|2.125323|1.919541|2.001736|17.377337|1.813774|12.533969|14.255261|36.858105| |2.075429|2.317405|4.783739|3.056950|3.695721|4.292936|6.860134|3.886092|3.462338|6.473688|3.878138|2.525619|2.463022|2.106907|1.999961|2.169161|2.563900|2.790763|4.497000|2.579883|2.190981|1.921348|1.733739|1.779115|15.016395|1.616986|7.523410|12.287342|12.429398|36.858105| |2.023365|2.245719|4.516250|2.835574|3.229641|3.583165|5.203660|3.054129|2.797728|5.295812|3.221190|2.154621|2.102751|1.835038|1.756262|1.894366|2.193515|2.345635|3.985257|2.158984|1.886901|1.679311|1.539537|1.584954|13.144712|1.462867|4.914895|7.961014|7.554811|12.580273|36.858105| |2.102248|2.293749|4.584559|2.786330|3.112509|3.242422|4.569759|2.730172|2.454653|4.544620|2.875595|1.918652|1.863150|1.649469|1.580886|1.687755|1.918735|2.039779|3.574677|1.968244|1.748579|1.567852|1.451524|1.498776|12.311132|1.395974|4.047670|6.556279|5.677803|7.534769|13.700186|36.858105| |1.989510|2.149305|4.174844|2.497561|2.674626|2.745539|3.754516|2.307604|2.119284|3.943591|2.523927|1.711439|1.665497|1.491534|1.436561|1.528064|1.716828|1.808807|3.262360|1.732603|1.562821|1.415063|1.322138|1.365922|11.079077|1.284380|3.177221|5.209218|4.172294|5.004176|7.884425|13.749038|36.858105| |1.833280|1.993692|3.812466|2.306850|2.428052|2.551846|3.462615|2.154860|2.032698|3.844490|2.432132|1.675950|1.639246|1.470964|1.422226|1.517531|1.704690|1.786499|3.251320|1.653447|1.495662|1.359079|1.271532|1.311595|10.592475|1.235557|2.910812|4.813376|3.760192|4.418219|6.809374|7.932812|13.752842|36.858105| |1.779638|1.961190|3.771070|2.333331|2.480718|2.706280|3.711930|2.301673|2.213066|4.264528|2.628395|1.824950|1.793995|1.596880|1.544829|1.661362|1.887441|1.979852|3.548972|1.760213|1.578177|1.428630|1.328444|1.367156|11.100574|1.280314|3.185473|5.289692|4.178837|5.006086|7.885087|6.896718|7.962060|13.750166|36.858105| |1.859350|2.069414|4.065614|2.563818|2.818325|3.178151|4.493367|2.720202|2.603271|5.055213|3.032508|2.082363|2.048019|1.795045|1.728363|1.872315|2.165686|2.294476|3.961192|2.008820|1.770047|1.586267|1.459813|1.500350|12.340057|1.390723|4.064299|6.717978|5.693291|7.539767|13.697372|7.980464|6.895757|7.932052|13.751554|36.858105| |17.571936|8.863090|12.886354|4.826693|3.957273|3.051091|3.584911|2.481909|2.175700|3.732805|2.720883|1.782265|1.589744|1.457892|1.334052|1.317157|1.408923|1.555222|2.731886|1.984321|2.003061|1.809954|1.829439|2.049729|16.422653|2.084765|2.314737|3.677765|2.297055|2.002968|1.925146|1.986936|1.865319|1.718199|1.677037|1.764123|0.500000| |17.572542|8.863602|12.886981|4.826892|3.959376|3.051299|3.580071|2.388251|2.086855|3.634292|2.571444|1.690622|1.527356|1.394974|1.287237|1.285006|1.383634|1.517973|2.678432|1.853213|1.827208|1.650583|1.641392|1.805568|14.528418|1.804460|2.377743|3.744287|2.451282|2.154781|2.119019|2.241848|2.126750|1.933788|1.852746|1.927862|0.301121|0.500000| |17.549117|8.853205|10.227155|4.249197|3.356028|2.725518|3.177351|2.166647|1.950914|3.423750|2.435616|1.626877|1.462173|1.344616|1.237744|1.226520|1.311137|1.438484|2.556662|1.748070|1.755213|1.598118|1.613747|1.791789|14.200150|1.829226|2.099174|3.335218|2.143030|1.887669|1.859896|1.931467|1.853988|1.726941|1.674741|1.731518|0.300373|0.300385|0.500000| |8.843320|17.484346|16.556539|7.274967|4.755601|3.768793|4.082106|2.764117|2.493770|4.407290|3.050948|2.017806|1.762567|1.595659|1.443878|1.423107|1.533913|1.717352|2.925617|2.138784|2.151627|1.910355|1.923980|2.185993|18.038479|2.217025|2.569760|3.980180|2.574503|2.167192|2.086453|2.097720|1.969284|1.852217|1.843696|1.948024|0.211825|0.173300|0.212490|0.500000| |8.843785|17.485815|16.557062|7.275080|4.759088|3.769052|4.074885|2.636583|2.362603|4.247734|2.844777|1.887735|1.678747|1.514285|1.385113|1.382843|1.501468|1.667633|2.860311|1.977334|1.938117|1.725881|1.708896|1.896964|15.614104|1.888558|2.656619|4.064706|2.797104|2.363040|2.339716|2.404187|2.284282|2.130654|2.084938|2.175253|0.173301|0.211846|0.212502|0.301566|0.500000| |4.757385|7.263377|16.558502|17.468271|8.827359|6.866437|6.293259|4.085401|3.601907|6.422476|4.156463|2.658887|2.245508|1.970207|1.749606|1.728424|1.899777|2.188250|3.491161|2.793950|2.730146|2.320184|2.270928|2.596483|23.117460|2.516139|3.630417|5.354509|3.516097|2.756753|2.549629|2.466490|2.234683|2.102717|2.152309|2.357118|0.126475|0.116602|0.112537|0.219024|0.177140|0.500000| |4.760388|7.274931|16.559759|17.467209|8.826500|6.856048|6.257797|3.700043|3.234657|5.952855|3.673337|2.379497|2.078493|1.822119|1.647290|1.657018|1.838302|2.087032|3.380419|2.458320|2.327713|2.009341|1.937583|2.146275|18.563119|2.063024|3.883609|5.559860|4.153299|3.195295|3.057730|3.011064|2.730049|2.539385|2.566317|2.795728|0.116654|0.126492|0.112630|0.177527|0.219449|0.301612|0.500000| |3.990363|4.864908|13.060861|8.922597|17.554434|8.836860|9.429963|5.058103|3.805972|6.527780|4.216835|2.579687|2.282699|1.980122|1.794616|1.822804|2.045919|2.328510|3.707173|2.915431|2.647945|2.247728|2.107799|2.294618|20.277335|2.132568|5.610096|7.643897|5.595783|4.112458|3.607382|3.581732|3.013773|2.656604|2.665343|3.035010|0.106986|0.114485|0.091616|0.117350|0.127448|0.173792|0.212354|0.500000| |3.997917|4.872678|13.109392|8.939114|17.547284|8.821715|9.514893|6.174390|4.430724|7.139912|4.982031|2.939430|2.504192|2.170322|1.926100|1.916258|2.128304|2.466850|3.849687|3.517654|3.282485|2.704643|2.553701|2.865310|26.616590|2.639728|4.910059|7.123648|4.268841|3.283475|2.844426|2.754739|2.384869|2.169490|2.210785|2.496022|0.114648|0.107291|0.091735|0.127436|0.117562|0.212432|0.173939|0.303807|0.500000| |3.007167|3.785327|8.384762|6.896078|8.814537|17.581288|12.561016|7.516161|6.647554|12.353000|6.477967|3.879080|3.125202|2.586528|2.240003|2.232873|2.543185|3.079237|4.389043|3.918791|3.520608|2.825911|2.612827|2.915173|28.065915|2.633538|5.909188|8.125877|5.006603|3.585756|3.069133|2.777363|2.415179|2.291682|2.445691|2.823712|0.082387|0.079534|0.073954|0.106390|0.100455|0.206574|0.170880|0.173217|0.209607|0.500000| |3.004421|3.779104|8.374481|6.876339|8.841755|17.645699|12.433286|5.750767|4.969135|9.805930|5.027210|3.151528|2.726860|2.283757|2.042432|2.090662|2.408006|2.824824|4.184595|3.141860|2.776349|2.321769|2.145644|2.325459|20.956217|2.133604|7.280130|8.945391|7.645785|4.750332|4.089544|3.623015|3.067353|2.881605|3.098588|3.674268|0.079472|0.082350|0.073877|0.100241|0.106197|0.170283|0.205385|0.211341|0.173401|0.307051|0.500000| |2.262479|2.530333|5.461589|3.522568|4.778584|5.716209|12.620351|17.681594|8.828675|10.935185|9.404563|4.598606|4.039070|3.257262|2.836973|2.886349|3.377572|4.143501|5.568669|6.791383|4.758516|3.671338|3.054094|3.136069|29.916157|2.616266|7.573745|14.530403|4.752419|3.919678|3.025114|2.719619|2.282770|2.114671|2.246918|2.659557|0.064384|0.062373|0.056085|0.068757|0.066326|0.094988|0.088771|0.125219|0.144232|0.148173|0.128392|0.500000| |2.656511|3.058079|6.775925|4.530560|6.318702|7.379464|12.542740|17.574807|8.843680|11.109271|9.284470|4.566522|3.644502|3.005642|2.558309|2.514209|2.842393|3.486866|4.874336|6.453613|5.320952|3.899419|3.401594|3.744979|39.763421|3.136192|5.845708|9.305130|4.205195|3.312520|2.714769|2.496299|2.145527|1.999299|2.104459|2.432255|0.076488|0.071381|0.065073|0.084869|0.078055|0.127729|0.107348|0.145331|0.212207|0.214227|0.146786|0.302557|0.500000| |1.714224|1.909021|3.752352|2.386507|2.650603|3.099224|4.603877|4.245115|5.941064|9.438146|12.521808|17.593901|8.905405|7.338484|4.782820|4.007011|4.182881|5.582945|7.071206|7.250194|7.067282|5.842334|4.624582|4.455288|38.955343|3.459893|3.035732|5.553540|2.518425|2.231390|1.936385|1.749706|1.575423|1.542209|1.664207|1.873440|0.048776|0.045688|0.044440|0.055012|0.050697|0.070926|0.062303|0.066397|0.076945|0.097369|0.078351|0.109917|0.115186|0.500000| |1.785864|2.026400|4.002952|2.624852|2.931066|3.648992|5.419470|4.769594|7.703535|14.909740|12.604014|17.684535|8.879634|5.929825|4.315956|4.003955|4.596404|6.697181|7.068422|5.692377|4.852508|3.960986|3.348543|3.395800|30.645278|2.827844|3.614102|6.500153|2.991504|2.595464|2.234229|1.973531|1.767039|1.745244|1.916348|2.187801|0.050059|0.047755|0.046215|0.058100|0.054585|0.077801|0.069888|0.073057|0.082027|0.116685|0.094476|0.117321|0.120927|0.303142|0.500000| |1.426759|1.554910|3.014090|1.866998|2.052674|2.325100|3.486968|3.043309|3.792334|6.297006|6.807793|6.998910|8.921313|17.701358|8.947263|5.693697|4.956683|5.654099|9.618737|4.876579|4.704438|4.848494|3.878731|3.394141|25.441384|2.763625|2.442880|4.634173|2.089962|1.940974|1.706472|1.549193|1.408254|1.386830|1.495178|1.666907|0.040537|0.038423|0.037318|0.044355|0.041630|0.054275|0.049480|0.053148|0.059114|0.069609|0.060468|0.084354|0.081110|0.226202|0.153722|0.500000| |1.236573|1.331878|2.565395|1.569200|1.719886|1.923097|2.901277|2.420748|2.840211|4.861687|4.586865|4.069750|5.604603|8.834020|17.739202|8.969864|5.643970|4.949921|16.702392|3.350111|3.101970|3.226277|2.724011|2.416454|17.768168|2.069097|2.124904|4.122091|1.866245|1.800908|1.600176|1.453736|1.330404|1.318118|1.423423|1.577321|0.034949|0.033652|0.032494|0.037578|0.035981|0.044803|0.042152|0.045599|0.048935|0.055837|0.051080|0.069139|0.063406|0.113380|0.099752|0.213833|0.500000| |1.370835|1.495620|2.933998|1.831954|2.070765|2.416877|3.846937|3.053922|3.584356|6.488261|5.091140|4.072456|5.608865|4.959978|5.648218|8.953274|17.740588|8.867651|16.704371|3.363653|2.750619|2.555310|2.161488|2.049099|16.418149|1.777608|3.083333|6.425108|2.692372|2.711897|2.321097|2.012463|1.798581|1.793361|2.000247|2.307125|0.038166|0.037844|0.035682|0.041386|0.040977|0.050946|0.050164|0.056096|0.057116|0.067579|0.065949|0.089144|0.073977|0.095955|0.107763|0.107623|0.124635|0.500000| |1.645024|1.835041|3.668365|2.365375|2.747361|3.415614|5.679764|4.732744|6.527351|12.263843|8.865281|6.987236|8.897153|5.658783|4.948730|5.684259|8.960545|17.726330|9.616729|4.899594|3.679006|3.159276|2.613324|2.545335|21.840130|2.158983|4.421569|9.166191|3.546739|3.284189|2.692247|2.294901|2.009117|1.982125|2.219876|2.624432|0.045804|0.045055|0.042388|0.051027|0.049998|0.066430|0.064170|0.072393|0.075534|0.097787|0.091316|0.132047|0.107681|0.140473|0.188972|0.124181|0.107486|0.214174|0.500000| |1.733346|1.888964|3.808786|2.361542|2.767810|3.126423|5.106628|5.132331|5.963737|8.092900|12.486144|7.157573|6.853334|5.896554|4.598033|4.165258|4.440979|5.558813|7.493898|17.568668|9.026170|7.162427|4.683628|4.162510|36.306130|3.140236|3.454928|6.804343|2.716316|2.466409|2.070779|1.885252|1.665228|1.595036|1.701284|1.937856|0.049847|0.047004|0.044341|0.053075|0.049685|0.067343|0.060755|0.071644|0.082992|0.091229|0.076959|0.157206|0.135392|0.186658|0.143850|0.155999|0.109171|0.104366|0.142231|0.500000| |2.034102|2.231322|4.636336|2.889226|3.552454|3.961565|6.754471|7.846913|7.312579|8.913060|12.453940|5.642575|4.768325|3.987056|3.306427|3.160126|3.493572|4.313865|5.967592|17.671855|8.961679|6.000657|4.424560|4.341305|43.107267|3.312102|4.234541|8.074054|3.172522|2.775677|2.290514|2.102138|1.831442|1.726404|1.824610|2.091754|0.058958|0.055160|0.051192|0.062271|0.057850|0.081681|0.072338|0.090717|0.111205|0.114012|0.092576|0.256938|0.221057|0.144685|0.128051|0.107263|0.080928|0.087338|0.123327|0.305398|0.500000| |1.588202|1.697988|3.333063|2.005768|2.238409|2.396886|3.612497|3.317420|3.621368|5.440888|6.502143|4.616627|4.357388|4.658087|3.830499|3.221656|3.104189|3.498919|6.182697|6.655720|8.940551|17.724559|8.578803|5.713237|37.763897|4.019712|2.427579|4.558070|2.037798|1.873368|1.637334|1.526367|1.378893|1.326707|1.396548|1.550314|0.046234|0.042664|0.041137|0.048393|0.044348|0.058122|0.051448|0.057886|0.067788|0.070824|0.059886|0.095740|0.095565|0.148682|0.103066|0.148295|0.101576|0.074864|0.088478|0.209071|0.151338|0.500000| |1.595844|1.687007|3.237337|1.909071|2.047348|2.116380|3.018777|2.641774|2.788777|4.378393|4.559643|3.291233|2.955018|3.096908|2.660541|2.305304|2.236890|2.479097|4.605007|4.022122|5.714669|8.580906|17.732180|8.938820|37.766352|6.622702|1.997047|3.611886|1.735516|1.585831|1.420254|1.344815|1.232323|1.187835|1.237962|1.352096|0.046997|0.042282|0.041766|0.048916|0.043669|0.056320|0.048681|0.052508|0.062374|0.063303|0.053170|0.073092|0.079467|0.107623|0.080562|0.099099|0.072906|0.055716|0.064978|0.108771|0.100612|0.201704|0.500000| |2.098870|2.213081|4.191987|2.412507|2.481442|2.429274|3.252718|2.752537|2.735629|4.360147|4.064114|2.759572|2.345905|2.274018|1.975345|1.805651|1.834656|2.065810|3.640512|3.303665|4.317091|4.348030|5.833031|8.860895|43.763966|17.554774|2.064455|3.563157|1.827010|1.624744|1.473204|1.416108|1.302973|1.246964|1.284517|1.392511|0.063582|0.053960|0.054831|0.066198|0.055544|0.073521|0.059650|0.061954|0.077806|0.073910|0.060062|0.072630|0.088449|0.085178|0.072339|0.068445|0.052755|0.046991|0.056981|0.081449|0.089561|0.098816|0.145996|0.500000| |1.956018|2.105841|3.946650|2.333963|2.372782|2.405540|3.194038|2.692222|2.819836|4.595979|4.254398|3.037283|2.529537|2.469307|2.111090|1.902182|1.922022|2.180381|3.807023|3.297589|4.323338|4.356012|5.841644|8.861457|43.820240|17.554187|2.036150|3.511323|1.809423|1.605340|1.460178|1.390056|1.283580|1.240883|1.289120|1.397035|0.057989|0.050221|0.051580|0.063598|0.053745|0.072297|0.058689|0.058796|0.072339|0.074911|0.060254|0.069767|0.084457|0.097091|0.080874|0.075839|0.056434|0.048790|0.059674|0.081612|0.085378|0.098970|0.146258|0.301785|0.500000| |1.765217|1.858429|3.493081|2.029665|2.096898|2.107234|2.870848|2.428191|2.501534|4.032050|3.831620|2.727967|2.370963|2.380353|2.071953|1.856101|1.845297|2.053442|3.752665|3.124362|4.140342|4.640052|7.051067|8.952194|36.262143|17.583464|1.865979|3.273967|1.657122|1.495377|1.359598|1.300511|1.201721|1.158404|1.198754|1.296722|0.052584|0.045909|0.046585|0.055085|0.047554|0.061185|0.051306|0.053088|0.064156|0.063832|0.053004|0.064989|0.075164|0.086693|0.070754|0.073584|0.056260|0.046882|0.055489|0.080044|0.081710|0.107772|0.204680|0.301404|0.301368|0.500000| |2.332597|2.733636|5.689188|3.942013|4.744244|6.447115|9.155070|4.630823|4.283811|8.743227|4.491489|2.926572|2.716217|2.269379|2.092083|2.222496|2.633068|3.003684|4.504067|2.821874|2.415725|2.073779|1.884074|1.972658|17.094806|1.797021|8.958817|11.314119|17.530684|8.836657|6.920125|5.081410|4.004544|3.823102|4.446760|6.087931|0.061859|0.065775|0.058793|0.071945|0.078313|0.099626|0.118889|0.136660|0.109356|0.145364|0.238005|0.116388|0.108834|0.071111|0.087153|0.058516|0.051990|0.075000|0.100293|0.072535|0.082540|0.055095|0.047372|0.049991|0.050310|0.045582|0.500000| |2.702668|3.143310|6.861434|4.629757|6.038855|6.930748|9.701733|4.674123|3.841607|7.109859|4.137706|2.611995|2.412350|2.058273|1.901809|1.996574|2.311336|2.601396|4.082353|2.740916|2.376913|2.044087|1.871699|1.971389|17.055628|1.806844|8.855721|10.753829|17.562711|8.818757|6.925271|6.060444|4.438292|3.827534|4.018898|5.105746|0.071454|0.078144|0.066523|0.079655|0.089243|0.108458|0.137197|0.203726|0.133747|0.140455|0.228979|0.121277|0.114681|0.064959|0.075253|0.053774|0.047792|0.065354|0.083975|0.069930|0.083135|0.054074|0.047087|0.051077|0.050055|0.045769|0.304209|0.500000| |2.069213|2.271165|4.719488|2.937664|3.603330|3.979495|6.529762|3.832306|3.297050|5.916997|3.769442|2.423428|2.377073|2.054330|1.959032|2.120484|2.481455|2.674302|4.420256|2.583059|2.191209|1.930024|1.738074|1.775404|14.907221|1.610651|6.908934|12.232895|8.864517|17.574424|8.888549|7.120694|4.716448|3.969215|4.210139|5.664586|0.055924|0.060162|0.052047|0.058662|0.063603|0.073169|0.083424|0.114095|0.091341|0.092370|0.116116|0.111927|0.091722|0.059950|0.067871|0.052717|0.049218|0.072776|0.085926|0.068988|0.078600|0.052474|0.044233|0.045155|0.044068|0.041473|0.173781|0.210976|0.500000| |1.890765|2.104335|4.288027|2.740729|3.266636|3.887678|6.361569|3.809471|3.563989|6.764021|4.029999|2.667297|2.663843|2.262244|2.166717|2.393978|2.888252|3.113020|4.963376|2.649619|2.221356|1.954663|1.747998|1.776693|14.937789|1.604189|6.959066|13.042040|8.880611|17.606389|8.880712|5.665388|4.209587|3.967506|4.712409|7.108748|0.051010|0.054013|0.048145|0.055444|0.059358|0.070374|0.078883|0.097180|0.082426|0.093855|0.117490|0.108021|0.088697|0.064668|0.076199|0.057127|0.053789|0.086691|0.103495|0.071439|0.078074|0.053389|0.044468|0.044416|0.044258|0.041344|0.212262|0.173841|0.305188|0.500000| 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