Version2.0 2020-02-02T23:37:40Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@@H]([C@@H]3N=NNN3C(C)(C)C)[NH+]4CCN(CC4)c5ccc(cc5)F C39710456 RHF 6-31G(d) (6D,7F) CCc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@@H]([C@@H]3N=NNN3C(C)(C)C)[NH+]4CCN(CC4)c5ccc(cc5)F C01[X(C27H36F1N7O1)] 210 C1 612 CCc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@@H]([C@@H]1N=NNN1C(C)(C)C)[NH+]1CCN(CC1)c1ccc(cc1)F CCc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@@H]([C@@H]1N=NNN1C(C)(C)C)[NH+]1CCN(CC1)c1ccc(cc1)F CCC1=CC2=C[C@@H]([C@@H]([C@@H]3N=NNN3C(C)(C)C)[NH+]4CCN(CC4)c5ccc(F)cc5)C(=O)[NH+]=C2C=C1 InChIKey=QFIYGEDOTKDZOX-ZKMPZPQNSA-P InChI=1S/C27H34FN7O/c1-5-18-6-11-23-19(16-18)17-22(26(36)29-23)24(25-30-31-32-35(25)27(2,3)4)34-14-12-33(13-15-34)21-9-7-20(28)8-10-21/h6-11,16-17,22,24-25H,5,12-15H2,1-4H3,(H,30,32)/p+2/t22-,24-,25+/m0/s1 InChI=1/C27H34FN7O/c1-5-18-6-11-23-19(16-18)17-22(26(36)29-23)24(25-30-31-32-35(25)27(2,3)4)34-14-12-33(13-15-34)21-9-7-20(28)8-10-21/h6-11,16-17,22,24-25H,5,12-15H2,1-4H3,(H,30,32)/p+2/t22-,24-,25+/m0/s1/fC27H36FN7O/h29,32,34H/q+2 CCc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@@H]([C@@H]3N=NNN3C(C)(C)C)[NH+]4CCN(CC4)c5ccc(cc5)F C01[X(C27H36F1N7O1)] 210 C01 612 CCc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@@H]([C@@H]1N=NNN1C(C)(C)C)[NH+]1CCN(CC1)c1ccc(cc1)F CCC1=C[C@@H]2[C@@H](CC1)NC(=O)[C@@H](C2)[C@@H]([C@@H]1N=NNN1C(C)(C)C)[NH]1CCN(CC1)c1ccc(cc1)F CCC1=C[C@H]2C[C@@H]([C@@H]([C@@H]3N=NNN3C(C)(C)C)[NH]4CCN(CC4)c5ccc(F)cc5)C(=O)N[C@@H]2CC1 InChIKey=NRKQHYPPPKNUJU-WLXSAPIGSA-N InChI=1S/C27H41FN7O/c1-5-18-6-11-23-19(16-18)17-22(26(36)29-23)24(25-30-31-32-35(25)27(2,3)4)34-14-12-33(13-15-34)21-9-7-20(28)8-10-21/h7-10,16,19,22-25,34H,5-6,11-15,17H2,1-4H3,(H,29,36)(H,30,32)/t19-,22-,23+,24-,25+/m0/s1 InChI=1/C27H41FN7O/c1-5-18-6-11-23-19(16-18)17-22(26(36)29-23)24(25-30-31-32-35(25)27(2,3)4)34-14-12-33(13-15-34)21-9-7-20(28)8-10-21/h7-10,16,19,22-25,34H,5-6,11-15,17H2,1-4H3,(H,29,36)(H,30,32)/t19-,22-,23+,24-,25+/m0/s1/f/h29,32H 4013.5666207603 -1598.2330527 1-A 24706.7431 131 481 612 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.43672 -20.81070 -15.93055 -15.90143 -15.87942 -15.86500 -15.84213 -15.84181 -15.75498 -11.63572 -11.59077 -11.57765 -11.57239 -11.54788 -11.54735 -11.52090 -11.51591 -11.51244 -11.51071 -11.49918 -11.49255 -11.48296 -11.47655 -11.46856 -11.46606 -11.46274 -11.42524 -11.42441 -11.42194 -11.42063 -11.41279 -11.39395 -11.39087 -11.38946 -11.37842 -11.37654 -1.75773 -1.70701 -1.68476 -1.57364 -1.55439 -1.50508 -1.45051 -1.42190 -1.40480 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1.00783 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 8087.4726 39281.4974 43176.1551 0.99998 0.00308 0.00563 -0.00305 0.99997 -0.00686 -0.00565 0.00685 0.99996 1 0.01071 0.00220 0.00201 0.22315 0.04594 0.04180 27.43 31.60 41.83 54.25 65.59 74.98 83.70 89.04 113.20 118.35 137.93 158.15 192.05 200.00 208.92 225.98 249.69 290.04 301.93 314.12 332.39 342.59 367.52 391.85 395.07 418.25 428.46 439.29 446.84 460.11 470.57 496.68 536.54 551.77 562.58 583.03 611.26 628.56 645.50 668.62 671.35 681.98 686.35 713.24 726.04 744.45 746.96 772.04 785.95 812.13 860.76 873.73 889.07 899.81 929.56 957.40 1006.10 1034.66 1051.17 1088.48 1097.50 1122.59 1151.50 1153.46 1159.06 1166.44 1172.25 1224.99 1266.77 1278.97 1284.97 1315.30 1318.42 1340.94 1343.51 1372.19 1379.08 1389.55 1440.48 1449.44 1456.13 1460.56 1463.56 1465.73 1479.74 1502.52 1512.07 1519.31 1535.65 1550.68 1553.50 1581.10 1593.30 1598.32 1613.07 1624.17 1636.86 1641.89 1644.84 1660.90 1663.00 1673.78 1687.94 1709.77 1714.01 1726.47 1742.59 1769.92 1813.31 1816.80 1830.86 1843.44 1855.30 1863.60 1882.19 1908.92 1925.82 1929.69 1936.04 1944.69 1961.01 1984.78 1999.79 2005.15 2021.41 2025.37 2034.76 2040.22 2065.29 2072.90 2087.39 2113.17 2131.54 2139.69 2151.87 2166.40 2185.31 2192.50 2203.17 2207.48 2216.92 2236.41 2250.39 2253.17 2255.45 2257.97 2258.48 2286.23 2287.42 2301.61 2325.95 2333.34 2336.25 2336.77 2343.88 2344.08 2354.38 2358.82 2360.54 2363.30 2366.29 2371.93 2379.07 2383.03 2385.18 2397.20 2444.12 2470.05 2540.89 2573.27 2615.63 2619.03 2728.06 2884.18 4534.44 4542.26 4561.23 4624.99 4627.22 4631.67 4641.42 4642.45 4694.15 4707.93 4714.39 4720.57 4723.89 4727.67 4731.02 4732.53 4747.15 4751.12 4752.41 4752.61 4754.57 4766.51 4841.78 4845.75 4849.43 4867.01 4872.25 4874.82 4875.04 4893.49 4906.62 4909.04 4918.24 5254.62 5453.74 5529.52 0.662543 0.693359 0.694303 0.599088 -1597.570510 -1597.539694 -1597.538750 -1597.633965 3.193527D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE CCc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@@H]([C@@H]3N=NNN3C(C)(C)C)[NH+]4CCN(CC4)c5ccc(cc5)F C39710456 RHF 6-31G(d) (6D,10F) C1 493.296537 |X|Y|Z| 140.817908 59.392844 36.734296 67.476815 28 6 7 21 7 |36.858105| |12.417388|36.858105| |7.496275|12.579804|36.858105| |5.899415|7.473003|13.302276|36.858105| |4.240959|4.959090|7.674625|13.863831|36.858105| |3.710362|4.361383|6.670201|8.000837|13.707118|36.858105| |2.955198|3.327468|4.521742|5.247412|7.969192|14.035836|53.358707| |2.746324|3.035506|3.972847|4.828881|7.376564|9.322874|25.866844|0.500000| |2.577996|2.878430|3.721459|3.963468|5.175038|7.852555|18.922605|0.263461|36.858105| |2.232574|2.449829|3.038772|3.258464|4.120615|5.449645|11.591332|0.218982|16.003866|73.516695| |2.674257|3.008739|3.856490|3.765759|4.482696|6.657414|10.544700|0.157830|12.531047|14.273534|36.858105| |2.654594|2.888090|3.628326|3.536677|4.132925|5.786301|8.929764|0.141545|9.203430|12.248124|17.442247|0.500000| |3.258748|3.830304|5.177439|4.633399|5.194950|7.909406|9.348532|0.140214|7.527397|9.325202|12.733985|0.261381|36.858105| |4.015018|4.935330|7.795362|6.910798|7.811839|13.249430|10.717568|0.159108|6.626765|8.336904|7.623047|0.180233|14.058252|36.858105| |5.415962|7.544659|14.110975|8.043890|6.767830|7.671763|6.961257|0.117001|4.412005|6.153248|4.968584|0.126988|7.779803|13.182249|36.858105| |2.267886|2.542159|3.081511|2.964234|3.366380|4.453550|6.850789|0.115831|7.337614|11.609902|12.245045|0.246937|7.456075|5.038034|3.828375|36.858105| |2.264086|2.518450|2.989403|2.791772|3.063444|3.929255|5.683502|0.097552|5.487403|8.692851|8.946394|0.222992|6.978183|4.672761|3.753245|17.593189|0.500000| |2.179880|2.502048|2.991672|2.871380|3.207540|4.084290|6.055728|0.106021|5.788051|9.490758|7.295748|0.150686|6.083344|4.569028|3.648276|12.250507|0.246977|36.858105| |2.009723|2.284992|2.652647|2.516196|2.739632|3.354700|4.856029|0.087352|4.425433|7.525235|5.475962|0.124830|4.852990|3.771767|3.185000|8.865486|0.228390|17.728978|0.500000| |2.008292|2.286942|2.720871|2.723579|3.117180|3.856299|6.065809|0.112031|5.750204|10.593847|5.775946|0.124951|4.685211|3.924985|3.162522|7.643341|0.156966|12.954971|0.253981|53.358707| |2.131057|2.466975|2.974038|3.035660|3.524760|4.324638|6.748850|0.126319|5.881406|10.322520|5.393560|0.115739|4.722827|4.234676|3.403122|5.926798|0.128070|8.708949|0.178299|21.413950|53.358707| |2.478858|2.966777|3.690015|3.669165|4.216145|5.372504|7.640983|0.134005|6.193476|9.417757|6.162512|0.126538|6.166643|5.595227|4.385301|6.094332|0.136481|8.704980|0.172431|12.171402|18.948877|53.358707| |2.477256|2.954765|3.596061|3.358359|3.673850|4.690845|6.375215|0.109471|5.443063|8.216209|6.692260|0.137125|7.142680|5.582106|4.514223|7.654811|0.182126|13.195260|0.252892|11.206559|11.416277|18.195996|53.358707| |2.333128|2.798199|3.221391|2.937449|3.054082|3.612675|4.740809|0.085135|3.806556|6.037877|4.451349|0.101269|4.956101|4.259456|3.887726|5.073323|0.135860|7.570396|0.206508|7.845384|8.021210|10.474754|17.152527|36.858105| |1.993455|2.337301|2.629295|2.483881|2.605861|2.986088|4.068983|0.075829|3.273878|5.486805|3.583214|0.083884|3.685609|3.288662|3.015198|4.191794|0.109922|6.269260|0.186911|7.890556|8.004659|8.529466|10.194501|12.415843|36.858105| |2.262644|2.656058|2.969864|2.638666|2.688012|3.153577|4.115099|0.073910|3.339306|5.335620|4.119862|0.098770|4.627067|3.829925|3.623718|4.871312|0.146204|6.304249|0.198312|6.177297|5.813780|6.893124|10.598871|12.428070|7.547144|36.858105| |2.622229|3.278745|3.712102|3.293184|3.279611|3.710622|4.588430|0.083175|3.430464|5.350096|3.840285|0.089751|4.606756|4.404867|4.372422|3.920296|0.105556|5.011741|0.130713|5.820410|6.454182|8.837481|10.556260|12.415967|7.576929|7.668194|36.858105| |1.972140|2.155647|2.551891|2.525877|2.885270|3.635519|5.871067|0.106059|6.238526|12.182737|7.460652|0.191613|4.900538|3.792591|3.014480|12.604886|0.254316|7.565638|0.185248|9.230628|6.887177|6.242522|6.862587|3.814592|3.481398|3.696480|3.065578|53.358707| |1.941642|2.125817|2.531169|2.566519|2.994684|3.761604|6.392157|0.118619|7.028298|16.060775|6.936348|0.170647|4.580102|3.726164|2.935077|9.313115|0.182349|7.021278|0.163198|10.483599|7.835388|6.597912|6.632895|3.659177|3.434578|3.380075|2.996579|25.612899|0.500000| |1.747145|1.904141|2.191206|2.147649|2.386022|2.878064|4.438564|0.082739|4.242267|8.186674|4.871952|0.127270|3.760834|3.031725|2.543566|7.571726|0.194939|6.523125|0.195775|8.223984|5.989652|5.287175|5.965180|3.646205|3.532854|3.668363|2.867840|17.073299|0.256105|36.858105| |1.567348|1.682532|1.912357|1.901994|2.112162|2.478827|3.849405|0.074144|3.545592|7.150825|3.765982|0.102817|2.994552|2.532409|2.164450|4.935408|0.128897|4.393675|0.127350|6.123758|4.826527|4.216433|4.491282|2.852935|2.844173|2.847877|2.352671|10.349371|0.195545|12.519747|36.858105| |1.563382|1.654330|1.874749|1.865368|2.067077|2.414517|3.736938|0.072076|3.400756|6.784164|3.634090|0.105321|2.894851|2.463394|2.115082|4.439090|0.120708|3.680485|0.103742|4.927748|4.090322|3.722066|3.957847|2.515259|2.438183|2.552288|2.133603|8.974533|0.163927|7.844752|13.202644|53.358707| |1.698990|1.790653|2.059736|2.073016|2.338754|2.771893|4.415890|0.085037|4.133343|8.493479|4.303919|0.130266|3.264687|2.776873|2.329311|4.920132|0.128571|3.796248|0.101137|5.093902|4.319121|3.975070|4.139887|2.544257|2.406693|2.534793|2.190593|10.357465|0.196282|6.659995|8.030966|17.980753|36.858105| |1.944820|2.073203|2.433062|2.416701|2.746484|3.395315|5.433790|0.099693|5.451115|10.550262|6.338820|0.201802|4.375444|3.504585|2.837990|7.522251|0.193958|4.892651|0.125361|6.071197|5.065399|4.818070|5.183901|3.041678|2.761644|3.043950|2.578620|17.146274|0.258082|7.713455|6.665268|10.683695|12.510955|36.858105| |1.408225|1.476157|1.650294|1.649540|1.812170|2.067148|3.160399|0.062089|2.762487|5.478241|2.870040|0.083212|2.382781|2.088023|1.830432|3.324837|0.091154|2.901538|0.082197|3.964379|3.405851|3.111973|3.256999|2.128516|2.094970|2.160273|1.843903|6.022047|0.116906|5.095402|7.823886|18.002736|7.829609|5.097262|36.858105| |1.341625|1.397481|1.544398|1.529812|1.657495|1.872358|2.801349|0.054838|2.396919|4.609145|2.539810|0.074267|2.175177|1.915200|1.708582|2.907039|0.082435|2.562680|0.073683|3.413233|2.975118|2.776113|2.943629|1.964051|1.926504|2.033806|1.715905|4.933168|0.093564|4.163990|5.523104|10.680573|5.529981|4.167185|13.741127|36.858105| |1.228084|1.271950|1.393403|1.385380|1.492965|1.661978|2.469703|0.048847|2.068855|3.966233|2.155456|0.062694|1.882790|1.687826|1.523697|2.406424|0.067817|2.172894|0.062252|2.930610|2.603533|2.434997|2.552645|1.726116|1.707171|1.779206|1.529579|3.938699|0.076629|3.240268|4.107826|6.994175|4.111328|3.241984|7.918238|13.764127|36.858105| |1.180538|1.222308|1.339746|1.344406|1.455330|1.609358|2.408502|0.048193|2.004364|3.894804|2.038378|0.058797|1.777887|1.612131|1.453492|2.246631|0.062056|2.055497|0.058288|2.838033|2.543693|2.355190|2.427589|1.639170|1.635499|1.663445|1.461460|3.680881|0.073728|2.977049|3.818670|6.188696|3.820286|2.977682|6.927370|8.015983|13.813350|36.858105| |1.222830|1.271357|1.404040|1.420473|1.553164|1.723596|2.618062|0.052757|2.196552|4.362615|2.189941|0.062721|1.880243|1.706587|1.522604|2.413958|0.065274|2.210615|0.062018|3.121193|2.789131|2.542760|2.586725|1.726468|1.730351|1.725731|1.534401|4.052806|0.083261|3.250109|4.349281|6.936082|4.349066|3.249792|7.914152|6.862677|7.890878|13.802038|36.858105| |1.334745|1.396608|1.558713|1.577042|1.740368|1.961042|3.021872|0.060506|2.600390|5.261412|2.596049|0.074301|2.171038|1.942383|1.706910|2.919800|0.077999|2.624420|0.073288|3.722707|3.259244|2.937667|2.995550|1.964362|1.959590|1.955273|1.722524|5.160471|0.106368|4.183782|6.149351|10.473145|6.146833|4.182771|13.707591|7.939948|6.861762|8.014763|13.772960|36.858105| |1.094589|1.128620|1.228085|1.233563|1.327625|1.452737|2.156480|0.043363|1.767093|3.405265|1.788320|0.051440|1.584231|1.452311|1.322178|1.944149|0.053784|1.801755|0.051050|2.490870|2.262713|2.107190|2.162417|1.474996|1.476514|1.496069|1.328611|3.101299|0.062465|2.474761|3.036825|4.706656|3.037923|2.475228|4.681401|5.323288|8.191200|14.439110|8.193639|5.324725|97.533100| |17.551680|8.722163|6.754029|6.353546|4.531032|3.756907|4.102661|0.079350|2.576711|3.993455|2.596853|0.071849|3.078029|3.822507|4.811910|2.186165|0.059903|2.093629|0.053351|2.668713|2.846062|3.271138|3.201345|2.188957|1.896310|2.096253|2.432172|2.623046|0.053208|1.699842|1.538105|2.093438|1.681868|1.910438|1.390711|1.320195|1.212058|1.171073|1.217212|1.326745|2.446617|0.500000| |17.591518|8.824046|5.490020|4.544125|3.461281|3.085688|3.457408|0.066254|2.259187|3.533753|2.347131|0.064683|2.806497|3.325588|4.308917|2.040103|0.056894|1.981099|0.051336|2.493648|2.635976|3.033255|3.047434|2.153242|1.862569|2.106849|2.428473|2.437610|0.048921|1.609111|1.451615|1.969045|1.557900|1.764980|1.312108|1.256849|1.156259|1.111815|1.147459|1.245571|2.329121|0.302571|0.500000| |17.568440|8.758086|6.770243|5.260567|4.047645|3.715900|4.064663|0.076151|2.645939|4.057843|2.803130|0.078916|3.432872|4.144402|5.533547|2.361949|0.066301|2.224185|0.057096|2.754452|2.882666|3.339092|3.398066|2.330027|1.977736|2.301871|2.562649|2.792181|0.055583|1.809607|1.621036|2.220093|1.779528|2.050387|1.466000|1.401711|1.279588|1.224141|1.263783|1.381054|2.549192|0.301333|0.301573|0.500000| |8.836134|17.576853|8.951876|5.568038|4.142118|3.911439|4.178640|0.077049|2.750532|4.178577|2.967664|0.078954|3.835984|4.684702|7.250686|2.566542|0.071843|2.547823|0.065441|3.112076|3.321751|4.014552|4.133863|2.956610|2.435045|2.873384|3.519434|2.933578|0.058391|1.924971|1.689090|2.254277|1.775370|2.062047|1.475682|1.404451|1.276341|1.220477|1.263780|1.387777|2.534816|0.172461|0.213405|0.210684|0.500000| |8.826071|17.548373|8.942901|6.905099|4.659102|3.960000|4.219884|0.080330|2.674160|4.109415|2.728909|0.071936|3.364569|4.241014|5.837837|2.348315|0.063989|2.360335|0.060063|2.993363|3.269692|3.904158|3.801371|2.689883|2.292341|2.506855|3.212931|2.741602|0.055694|1.796116|1.597026|2.123302|1.679120|1.921087|1.399652|1.323186|1.209843|1.168274|1.217577|1.333176|2.434646|0.209324|0.213717|0.172707|0.304494|0.500000| |6.065336|7.019931|8.830357|17.707900|9.064597|5.695542|5.777584|0.114350|3.316533|5.039057|3.121123|0.082551|3.672505|4.970855|5.713825|2.546819|0.067007|2.490415|0.061582|3.269087|3.633021|4.259876|3.895877|2.573933|2.232999|2.328531|2.893753|3.027865|0.063029|1.923606|1.728454|2.312214|1.875826|2.143820|1.520219|1.415709|1.292443|1.259601|1.328917|1.463647|2.615845|0.200670|0.133174|0.140703|0.141576|0.202225|0.500000| |3.663443|4.070971|5.526674|8.941270|17.739832|8.881194|9.805698|0.219724|4.746097|7.130034|3.900696|0.101360|4.189030|5.568525|4.899745|3.034625|0.076211|2.907735|0.069606|3.982727|4.517633|5.140319|4.394202|2.720634|2.398007|2.394137|2.882654|3.677112|0.079267|2.252893|2.033218|2.712667|2.260340|2.591437|1.765359|1.608713|1.458600|1.433859|1.538167|1.716553|2.952942|0.112031|0.085629|0.096578|0.095750|0.110537|0.218816|0.500000| |3.198948|3.749393|4.750190|4.014446|4.197453|5.623402|6.740512|0.109168|5.438250|7.486654|8.632867|0.207835|17.748967|9.055603|7.145688|6.897124|0.209427|5.827079|0.138843|5.789160|5.646781|7.188087|9.356966|5.247977|3.762016|5.414344|4.815160|6.198514|0.113521|3.702006|2.917348|3.846493|3.095210|4.107941|2.334698|2.168590|1.874889|1.751517|1.830078|2.100254|3.517631|0.081841|0.077769|0.094932|0.109146|0.090642|0.091141|0.096394|0.500000| |5.116690|6.916968|9.026026|5.663694|4.897942|5.533602|5.664630|0.097125|3.853620|5.533358|4.585486|0.119205|7.143898|8.803286|17.716135|3.756081|0.106769|3.602583|0.089869|4.120700|4.324418|5.504442|6.074376|4.040473|3.066591|3.982042|4.568077|3.993656|0.077704|2.530320|2.138287|2.845467|2.267947|2.764686|1.810397|1.707115|1.520855|1.440221|1.496980|1.673621|2.949773|0.120157|0.118328|0.150679|0.218609|0.147906|0.124581|0.106625|0.217587|0.500000| |2.515502|3.065834|3.754533|3.745833|4.175809|4.952398|6.637216|0.121286|4.921217|7.660070|4.797220|0.104848|5.125321|5.075687|4.289265|4.649076|0.110679|6.202157|0.138496|8.830413|13.169348|25.954396|12.622831|7.414683|6.356622|4.735895|7.450429|5.035779|0.108034|3.260530|2.689946|3.263497|2.535673|2.987275|2.048341|1.846845|1.639757|1.592665|1.712118|1.951225|3.234797|0.067723|0.063216|0.067966|0.084593|0.084273|0.090018|0.104585|0.126408|0.109663|0.500000| |1.850025|2.129250|2.393384|2.280548|2.418922|2.791445|3.905758|0.073123|3.239427|5.577975|3.566744|0.084363|3.494454|3.042836|2.745339|4.431699|0.116477|6.794284|0.229469|8.700581|7.862072|7.518025|9.085197|8.688499|17.569330|6.852176|5.477797|5.196402|0.103737|4.094323|3.239539|3.668779|2.599881|2.956123|2.299666|2.105045|1.852350|1.769449|1.875221|2.138342|3.572313|0.049109|0.048048|0.051421|0.061336|0.057621|0.057125|0.062399|0.099216|0.077522|0.144711|0.500000| |1.910633|2.233578|2.448317|2.292546|2.355843|2.634424|3.533150|0.066490|2.782869|4.675571|3.036198|0.073090|3.183934|2.905566|2.760947|3.460668|0.093652|4.711714|0.142763|5.947625|6.042740|6.462518|7.483307|8.857975|17.587508|6.893312|7.000554|4.013034|0.080278|3.032933|2.513075|2.977252|2.143273|2.422115|1.911843|1.782418|1.594994|1.527039|1.602269|1.792360|3.125810|0.050259|0.050144|0.052483|0.065307|0.061296|0.057971|0.060442|0.091916|0.079164|0.138660|0.303369|0.500000| |1.976261|2.321727|2.627508|2.542332|2.698605|3.054679|4.207916|0.079722|3.327398|5.641778|3.459900|0.080645|3.510642|3.241876|2.948882|3.893145|0.098636|5.657517|0.154950|8.155072|9.229004|9.339260|9.176327|8.702689|17.570356|5.469423|6.830494|4.521463|0.094208|3.300368|2.729394|3.186254|2.337084|2.647938|2.027210|1.848379|1.648766|1.596815|1.703690|1.926073|3.253059|0.052738|0.051213|0.053953|0.066170|0.064081|0.063855|0.069840|0.095868|0.081173|0.209937|0.301415|0.303470|0.500000| |2.510964|2.962585|3.323793|2.859645|2.870314|3.396809|4.308938|0.076201|3.457297|5.379200|4.443924|0.108259|5.377775|4.345107|4.211354|4.973379|0.156453|5.716960|0.166462|5.560837|5.301998|6.480216|9.752340|8.761167|5.481206|17.556485|6.988078|4.988084|0.091856|3.496094|2.734879|3.432545|2.550355|3.121533|2.131537|2.018929|1.764066|1.641836|1.695976|1.919019|3.324086|0.063751|0.064529|0.071850|0.090582|0.075982|0.069288|0.069803|0.191997|0.134934|0.122783|0.139814|0.140813|0.122216|0.500000| |2.147077|2.510525|2.719728|2.413727|2.416345|2.748483|3.563230|0.065159|2.823237|4.579745|3.347738|0.082483|3.743454|3.264160|3.212161|3.821260|0.113620|4.727759|0.147802|5.093014|4.904488|5.646507|7.640172|8.857626|6.892305|17.599418|7.065289|4.190007|0.079372|3.119860|2.516489|3.090468|2.234144|2.609467|1.962366|1.868222|1.654598|1.550412|1.598898|1.789424|3.163608|0.055078|0.056335|0.060282|0.076225|0.066616|0.060136|0.060347|0.119248|0.098654|0.113118|0.170033|0.206574|0.140612|0.302405|0.500000| |2.065735|2.368986|2.648558|2.400590|2.483917|2.927720|3.942549|0.071263|3.299509|5.406651|4.106923|0.099999|4.289285|3.466990|3.194505|5.278747|0.164778|6.814383|0.251123|6.485279|5.706897|6.284092|9.344669|8.665222|6.834360|17.567179|5.506513|5.592739|0.101562|4.309112|3.241331|3.885175|2.766030|3.318847|2.387868|2.250837|1.947546|1.805206|1.868053|2.131008|3.627361|0.053645|0.053506|0.058818|0.070273|0.062042|0.059205|0.062252|0.137402|0.095879|0.115863|0.203190|0.169766|0.139384|0.300336|0.304682|0.500000| |2.587363|3.248777|3.701821|3.417772|3.436714|3.788445|4.706922|0.086988|3.423759|5.391037|3.619110|0.084447|4.206639|4.236284|4.156385|3.602257|0.093928|4.577892|0.116167|5.789478|6.865050|9.434266|9.188140|8.659233|6.947892|5.509531|17.556704|3.953422|0.080960|2.698549|2.256310|2.779376|2.109359|2.448867|1.777529|1.643836|1.473950|1.420878|1.501085|1.681343|2.914699|0.067701|0.066526|0.069073|0.094099|0.090983|0.084295|0.085054|0.115427|0.114474|0.259682|0.140231|0.176184|0.205324|0.140709|0.143781|0.121874|0.500000| |2.452839|3.022217|3.260502|2.882883|2.816251|3.094619|3.855975|0.071147|2.879279|4.588326|3.203090|0.077319|3.751545|3.609264|3.714186|3.320352|0.091684|4.111407|0.112972|4.877332|5.243796|6.540984|7.632288|8.854729|6.844789|7.140606|17.599377|3.663571|0.072699|2.588682|2.159272|2.675232|1.992377|2.305480|1.719813|1.617099|1.451498|1.385346|1.444995|1.608041|2.849165|0.062865|0.064319|0.066470|0.091713|0.083156|0.072042|0.069814|0.111344|0.110462|0.149560|0.140645|0.207581|0.166292|0.176611|0.218248|0.143916|0.305250|0.500000| |3.052565|3.954975|4.551140|3.813779|3.685045|4.191325|4.924813|0.087539|3.594165|5.437745|4.126655|0.097110|5.395909|5.329429|5.627011|3.982892|0.109070|4.717577|0.120046|5.331281|5.842368|8.175655|9.827577|8.756250|5.495390|6.904650|17.572078|4.156084|0.082130|2.782542|2.288108|2.879785|2.203337|2.628937|1.825755|1.705318|1.518629|1.446402|1.514022|1.698691|2.959021|0.077213|0.077548|0.083026|0.120777|0.105131|0.090986|0.087231|0.160842|0.169662|0.181890|0.122221|0.141479|0.140439|0.207117|0.171327|0.140241|0.300403|0.301822|0.500000| |1.753675|1.905164|2.170744|2.090508|2.282153|2.736714|4.087627|0.075513|3.791234|6.956180|4.599475|0.123999|3.728296|2.968285|2.539442|7.040743|0.215561|5.927121|0.190618|6.749697|5.187489|4.842733|5.722420|3.628271|3.433554|3.885852|2.852452|12.339758|0.180834|17.621296|8.836339|9.628901|5.842211|7.007744|4.815838|4.246865|3.269695|2.904139|3.052730|3.802620|5.464009|0.047027|0.045014|0.050802|0.054041|0.049616|0.052019|0.059301|0.106419|0.071569|0.084313|0.109961|0.083545|0.086646|0.104322|0.091783|0.131238|0.073032|0.072432|0.077599|0.500000| |1.726830|1.902853|2.185315|2.143567|2.375515|2.846459|4.358369|0.081722|4.086344|7.837756|4.557581|0.113293|3.655678|2.990295|2.525819|6.992331|0.172415|7.587843|0.246147|10.332552|6.970680|5.854200|6.598431|4.101940|4.174558|3.995291|3.118973|12.268342|0.224183|17.710302|8.905282|7.727824|5.000873|5.619480|4.188744|3.515726|2.861061|2.686062|2.939395|3.662482|5.127581|0.046618|0.044304|0.049233|0.053545|0.050282|0.053438|0.062379|0.099807|0.069739|0.100029|0.141161|0.097219|0.108072|0.101367|0.094224|0.131942|0.081917|0.078058|0.081827|0.298010|0.500000| |1.466584|1.572706|1.765194|1.745132|1.912344|2.210794|3.360436|0.065015|2.998375|5.887766|3.202660|0.087130|2.659532|2.275940|1.985351|4.123204|0.111753|3.893775|0.117813|5.381504|4.324243|3.811110|4.096710|2.706162|2.758826|2.746031|2.234871|7.583524|0.143708|9.024916|17.615784|12.501782|5.752980|4.977124|7.309558|5.711096|4.326179|3.964563|4.370470|5.811625|7.116420|0.039869|0.037985|0.042051|0.044092|0.041627|0.044343|0.051158|0.073242|0.054974|0.068783|0.088465|0.068808|0.072963|0.072410|0.068571|0.087818|0.059372|0.057817|0.059895|0.216973|0.215547|0.500000| |1.541028|1.656678|1.888863|1.905547|2.137898|2.494178|3.945958|0.077443|3.624317|7.636668|3.630865|0.097327|2.878601|2.485866|2.115014|4.552519|0.113277|4.227127|0.118161|6.413286|5.102030|4.293050|4.385128|2.768668|2.810930|2.674385|2.308411|9.268303|0.204915|8.871735|17.438628|12.200314|7.122785|5.793388|6.690286|4.674180|3.729619|3.681873|4.427930|6.320323|6.686652|0.042274|0.039620|0.043985|0.045872|0.043967|0.048284|0.057840|0.076285|0.057338|0.076322|0.088394|0.068659|0.076797|0.070891|0.066019|0.082754|0.062541|0.058624|0.061984|0.173560|0.218752|0.302274|0.500000| |1.668195|1.734848|1.979403|1.991228|2.227878|2.600770|4.071046|0.078905|3.660315|7.267920|3.814680|0.119846|3.007295|2.605117|2.219769|4.107834|0.111386|3.217926|0.086098|4.256409|3.725086|3.511537|3.655049|2.284597|2.148004|2.300761|2.006148|7.589234|0.144221|4.973825|5.752530|12.505710|17.614847|9.015761|7.316373|5.723494|4.332834|3.967352|4.369709|5.807271|7.120786|0.045979|0.042565|0.048833|0.047708|0.045052|0.050344|0.059987|0.079857|0.060186|0.063189|0.063683|0.053828|0.057923|0.065101|0.056942|0.069037|0.053638|0.051057|0.056565|0.130796|0.109571|0.128133|0.144336|0.500000| |1.674276|1.766657|2.040375|2.089840|2.391045|2.815632|4.611568|0.091118|4.310812|9.491074|4.141804|0.121511|3.133180|2.732444|2.278774|4.542220|0.113090|3.663034|0.095440|5.208988|4.486240|4.026954|4.040578|2.470457|2.367610|2.397476|2.147143|9.281428|0.206002|5.792636|7.123846|12.200685|17.437619|8.873132|6.690243|4.676733|3.730968|3.681848|4.425431|6.313204|6.686737|0.046402|0.042601|0.048347|0.048256|0.046336|0.052748|0.065176|0.080652|0.060781|0.071551|0.070683|0.058374|0.065028|0.066463|0.058971|0.071670|0.058283|0.054058|0.059687|0.133867|0.130819|0.144346|0.210658|0.302116|0.500000| |2.092090|2.217657|2.644848|2.666874|3.095062|3.892444|6.442656|0.117152|6.613387|12.654059|7.247538|0.258238|4.784150|3.903839|3.079710|6.906940|0.170900|4.540130|0.111552|5.736961|5.031208|4.897955|5.094690|2.943529|2.634230|2.888235|2.565487|12.279545|0.225889|5.612775|5.002185|7.735907|8.919966|17.694802|4.193580|3.521473|2.864975|2.688603|2.940922|3.663855|5.132001|0.057535|0.052227|0.061481|0.060525|0.056774|0.065258|0.081231|0.119099|0.081592|0.084569|0.076505|0.064302|0.071133|0.083521|0.069018|0.084862|0.068342|0.063238|0.073747|0.142857|0.126297|0.109599|0.130784|0.216007|0.219125|0.500000| |1.958686|2.078395|2.410645|2.342039|2.598949|3.180558|4.843985|0.088048|4.601515|8.272428|5.803109|0.192083|4.338797|3.418353|2.839114|6.994143|0.213989|4.604439|0.123171|5.377685|4.539811|4.466529|5.008399|3.020834|2.702120|3.152735|2.561766|12.353089|0.181429|6.998894|5.841737|9.629205|8.833416|17.620396|4.816766|4.249973|3.271429|2.904723|3.052406|3.801586|5.465086|0.052939|0.049550|0.057911|0.058067|0.053101|0.057745|0.067308|0.119344|0.078632|0.077955|0.080251|0.066656|0.070618|0.091479|0.075127|0.096672|0.066443|0.064257|0.073186|0.209761|0.142862|0.130797|0.133815|0.216918|0.173579|0.298236|0.500000| |1.383357|1.441039|1.589064|1.558592|1.677716|1.902537|2.815110|0.054527|2.409780|4.543464|2.622942|0.077280|2.266510|1.975726|1.770335|3.031945|0.088507|2.644203|0.076884|3.424625|2.976724|2.817128|3.040856|2.038474|1.978831|2.149904|1.774553|5.035555|0.092451|4.282648|5.253709|9.902816|5.261183|4.287255|8.944152|17.733290|8.920616|5.678439|4.947918|5.652863|9.620260|0.037614|0.036015|0.040327|0.040447|0.037735|0.039942|0.044873|0.063663|0.049560|0.051989|0.060058|0.050994|0.052168|0.059669|0.054797|0.066611|0.046796|0.046562|0.049184|0.128726|0.099112|0.151739|0.118510|0.152125|0.118596|0.099300|0.128876|0.500000| |1.182085|1.219810|1.326826|1.313215|1.404286|1.554126|2.284173|0.045110|1.893066|3.580583|1.986276|0.057855|1.762989|1.587185|1.447206|2.201097|0.062745|2.000376|0.057558|2.671305|2.391893|2.259992|2.380367|1.626761|1.606081|1.691117|1.450599|3.505274|0.067803|2.863020|3.455617|5.664452|3.458510|2.864683|5.623487|8.855319|17.749345|8.961298|5.640751|4.948981|16.741830|0.032347|0.031029|0.034260|0.034096|0.032224|0.034126|0.038045|0.049142|0.040327|0.042524|0.048207|0.042001|0.042945|0.046724|0.043996|0.051310|0.038733|0.038461|0.040086|0.081886|0.071104|0.101839|0.087101|0.101997|0.087137|0.071204|0.081936|0.212827|0.500000| 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