Version2.0 2020-01-23T07:50:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN1C(=C([C@@H](NC1=O)c2ccc(cc2)C(F)(F)F)C(=O)OCC)CN3CCC(CC3)C(=O)OCC C35991478 RHF 6-31G(d) (6D,7F) CCN1C(=C([C@@H](NC1=O)c2ccc(cc2)C(F)(F)F)C(=O)OCC)CN3CCC(CC3)C(=O)OCC C01[X(C25H32F3N3O5)] 198 C1 604 CCOC(=O)C1=C(CN2CCC(CC2)C(=O)OCC)N(C(=O)N[C@H]1c1ccc(cc1)C(F)(F)F)CC CCOC(=O)C1=C(CN2CCC(CC2)C(=O)OCC)N(C(=O)N[C@H]1c1ccc(cc1)C(F)(F)F)CC CCOC(=O)C1CCN(CC1)CC2=C([C@@H](NC(=O)N2CC)c3ccc(cc3)C(F)(F)F)C(=O)OCC InChIKey=ZMBSHERITMAWOK-NRFANRHFSA-N InChI=1S/C25H32F3N3O5/c1-4-31-19(15-30-13-11-17(12-14-30)22(32)35-5-2)20(23(33)36-6-3)21(29-24(31)34)16-7-9-18(10-8-16)25(26,27)28/h7-10,17,21H,4-6,11-15H2,1-3H3,(H,29,34)/t21-/m0/s1 InChI=1/C25H32F3N3O5/c1-4-31-19(15-30-13-11-17(12-14-30)22(32)35-5-2)20(23(33)36-6-3)21(29-24(31)34)16-7-9-18(10-8-16)25(26,27)28/h7-10,17,21H,4-6,11-15H2,1-3H3,(H,29,34)/t21-/m0/s1/f/h29H CCN1C(=C([C@@H](NC1=O)c2ccc(cc2)C(F)(F)F)C(=O)OCC)CN3CCC(CC3)C(=O)OCC C01[X(C25H32F3N3O5)] 198 C01 604 CCOC(=O)C1=C(CN2CCC(CC2)C(=O)OCC)N(C(=O)N[C@H]1c1ccc(cc1)C(F)(F)F)CC CCOC(=O)C1=C(CN2CC[C@H](CC2)C(=O)OCC)N(C(=O)N[C@H]1c1ccc(cc1)C(F)(F)F)CC CCOC(=O)[C@@H]1CCN(CC1)CC2=C([C@@H](NC(=O)N2CC)c3ccc(cc3)C(F)(F)F)C(=O)OCC InChIKey=ZMBSHERITMAWOK-NRFANRHFSA-N InChI=1S/C25H32F3N3O5/c1-4-31-19(15-30-13-11-17(12-14-30)22(32)35-5-2)20(23(33)36-6-3)21(29-24(31)34)16-7-9-18(10-8-16)25(26,27)28/h7-10,17,21H,4-6,11-15H2,1-3H3,(H,29,34)/t21-/m0/s1 InChI=1/C25H32F3N3O5/c1-4-31-19(15-30-13-11-17(12-14-30)22(32)35-5-2)20(23(33)36-6-3)21(29-24(31)34)16-7-9-18(10-8-16)25(26,27)28/h7-10,17,21H,4-6,11-15H2,1-3H3,(H,29,34)/t21-/m0/s1/f/h29H 4134.1508309676 -1801.3955666 1-A 21861.1153 135 469 604 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187.08 207.43 222.49 241.20 254.64 278.62 302.96 330.51 343.80 373.84 382.83 391.02 407.30 418.68 420.31 444.30 466.36 509.67 524.68 539.53 570.06 585.06 606.75 628.10 633.10 637.50 646.46 668.55 680.01 698.08 708.32 738.40 761.32 813.01 825.81 877.28 888.14 907.47 945.89 971.18 998.82 1018.38 1033.67 1085.12 1100.77 1121.53 1193.46 1207.93 1218.93 1236.57 1248.25 1252.09 1265.86 1271.13 1281.72 1292.47 1300.87 1324.26 1361.47 1373.46 1377.12 1395.45 1398.60 1412.77 1469.37 1500.76 1508.47 1555.50 1556.90 1578.17 1585.36 1596.28 1603.26 1612.31 1632.36 1666.43 1677.66 1692.61 1723.06 1735.44 1745.78 1750.97 1783.38 1789.60 1793.99 1801.73 1818.15 1837.25 1846.51 1855.90 1868.31 1868.83 1877.42 1890.32 1892.14 1906.55 1939.71 1952.96 1973.13 1984.71 1993.41 2028.84 2051.23 2052.01 2059.44 2080.08 2083.60 2090.13 2111.02 2130.83 2134.22 2150.68 2164.57 2186.86 2197.08 2198.21 2217.62 2218.70 2223.46 2234.88 2244.31 2257.31 2259.22 2279.50 2283.65 2291.62 2293.96 2340.55 2345.68 2346.28 2348.77 2355.06 2362.56 2363.97 2365.08 2366.63 2374.36 2378.72 2394.11 2404.81 2407.38 2417.86 2445.46 2562.64 2599.62 2634.52 2801.10 2827.67 2879.40 4481.35 4561.60 4608.23 4625.84 4625.89 4626.49 4627.92 4645.57 4663.34 4682.35 4688.59 4696.94 4707.65 4714.19 4718.92 4722.80 4723.16 4723.84 4726.12 4726.69 4743.35 4753.45 4767.64 4777.48 4780.58 4809.78 4850.38 4858.62 4884.27 4900.59 4909.02 5553.61 0.602959 0.636410 0.637354 0.530458 -1800.792608 -1800.759156 -1800.758212 -1800.865109 3.585343D-04 MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE CCN1C(=C([C@@H](NC1=O)c2ccc(cc2)C(F)(F)F)C(=O)OCC)CN3CCC(CC3)C(=O)OCC C35991478 RHF 6-31G(d) (6D,10F) C1 511.229406 |X|Y|Z| 76.720770 113.196129 56.228571 78.746971 19 6 7 16 3 |36.858105| |12.509856|36.858105| |7.639147|12.899423|53.358707| |5.470864|7.500128|18.584792|36.858105| |4.187406|5.072469|10.885368|14.132613|36.858105| |3.866335|4.435453|9.143698|7.640999|12.552068|36.858105| |3.208968|3.681620|7.004347|5.860165|8.982254|17.659659|0.500000| |4.400211|5.233135|11.150275|7.017534|7.909485|13.172499|0.259756|53.358707| |6.070325|7.920246|18.681230|7.846346|6.761592|7.657655|0.162230|19.194913|36.858105| |6.029013|7.197843|11.452497|5.403208|4.740569|5.344494|0.124255|11.612681|15.859564|73.516695| |3.610093|3.758403|6.905304|5.468245|7.468334|12.447981|0.249936|10.504837|5.638931|7.899903|36.858105| |2.873183|2.962268|5.095290|4.007767|5.224000|7.541946|0.207481|7.468486|4.160447|6.273701|13.762703|36.858105| |2.606880|2.589798|4.232840|3.259995|3.950817|4.996052|0.134378|5.570409|3.381638|5.336738|7.892405|13.717659|36.858105| |2.791046|2.664907|4.246071|3.210840|3.708534|4.412857|0.111572|5.156522|3.321653|5.317446|6.835577|7.954608|13.802263|36.858105| |3.459002|3.204276|5.141260|3.832307|4.304750|4.988252|0.116894|5.902587|3.947885|6.211329|7.905019|6.898667|7.944620|13.699142|36.858105| |4.150518|3.991627|6.940690|5.225781|6.106857|7.470179|0.155663|8.288493|5.356142|7.821505|13.664023|7.973694|6.882793|7.942302|13.820178|36.858105| |2.401413|2.259757|3.461335|2.594955|2.891229|3.273874|0.085069|3.994539|2.669628|4.407846|4.442057|5.037716|7.590030|12.681972|7.637683|5.058980|36.858105| |2.444001|2.243058|3.354536|2.445747|2.638923|2.963257|0.076056|3.778574|2.600647|4.400800|3.858595|4.092282|5.429739|8.136972|6.727718|4.573966|14.382817|97.533100| |2.285002|2.147374|3.250766|2.486683|2.749828|2.971224|0.077387|3.578104|2.432083|3.992716|3.876072|4.234215|5.749037|8.132039|6.258241|4.431812|14.365048|20.175679|97.533100| |2.104349|2.014880|3.078892|2.308057|2.584275|2.952809|0.079415|3.634452|2.400780|4.002777|3.840972|4.626287|6.969484|8.115346|5.274703|4.019960|14.400230|20.093922|20.129741|97.533100| |3.282439|3.786048|6.873701|7.630760|12.821940|7.489750|0.197782|6.925348|4.433400|6.160332|5.895152|4.820975|3.779416|3.476460|3.819846|4.892762|2.783732|5.584377|6.147415|5.680036|36.858105| |3.105716|3.530011|5.953255|6.413913|7.920277|5.183481|0.136779|5.406639|3.701923|5.347411|4.490166|3.835379|3.219073|3.062222|3.365216|4.081689|2.545709|5.152425|5.775937|5.192474|15.942871|73.516695| |2.787846|3.137430|5.526252|5.315334|8.193013|7.182682|0.229825|6.490050|3.898526|5.597000|6.010631|5.569555|4.202097|3.614573|3.724234|4.571755|2.883049|5.652833|6.301852|6.040623|14.355508|15.396887|73.516695| |2.351651|2.589449|4.298959|3.947988|5.206371|4.695890|0.146177|4.790285|3.021359|4.531223|4.369691|4.403151|3.653366|3.175102|3.159465|3.605691|2.656271|5.178281|5.971536|5.679889|8.098784|12.947023|23.760228|36.858105| |2.081568|2.262466|3.699171|3.201256|4.077848|4.123379|0.134875|4.376786|2.713491|4.171865|3.997042|4.429978|3.749969|3.114288|2.948774|3.247070|2.648764|5.114158|5.871274|5.872557|5.267962|8.269324|14.287408|12.583689|36.858105| |4.902550|6.539514|10.486856|12.504198|7.524699|4.851529|0.116088|6.163408|5.070349|7.193437|3.929020|3.136325|2.680271|2.675059|3.119294|3.902340|2.252704|4.807837|4.986936|4.543242|6.326379|11.769881|7.894459|3.625835|2.893165|36.858105| |5.405379|6.203226|8.329996|7.645537|5.432867|3.953175|0.094325|5.088200|4.257655|6.394264|3.527704|2.855623|2.539913|2.627098|3.124759|3.766692|2.256932|4.882747|5.079653|4.489870|4.850192|9.457184|6.454448|3.114617|2.537715|13.082460|53.358707| |4.363594|4.893601|6.067782|5.074741|3.962464|3.083827|0.076680|4.062376|3.365027|5.317459|2.784132|2.351662|2.130902|2.194767|2.535246|2.927167|1.937765|4.224847|4.393222|3.912128|3.756158|7.500055|5.295604|2.674732|2.222292|7.935518|17.803126|36.858105| |4.119422|4.122849|4.941880|3.876596|3.195084|2.630840|0.065611|3.496257|2.886689|4.712756|2.479931|2.128624|1.979853|2.080251|2.406652|2.684174|1.876146|4.147485|4.297274|3.771966|3.044672|5.973150|4.470098|2.303157|1.958291|5.071591|10.537842|12.490616|36.858105| |3.646239|3.502082|4.460858|3.594409|3.120842|2.590820|0.064646|3.342853|2.678821|4.338541|2.530792|2.192069|2.073109|2.209264|2.560446|2.790378|2.011597|4.425624|4.702357|4.007069|3.076364|6.150920|4.547257|2.382513|2.016877|4.429829|8.907180|7.581914|12.474358|36.858105| |4.214725|3.934212|5.239750|4.326076|3.782818|3.097028|0.075340|3.900926|3.106288|4.910921|3.102090|2.620603|2.475845|2.686164|3.218493|3.549174|2.400439|5.244127|5.632605|4.678385|3.675741|7.269286|5.313991|2.721456|2.274724|5.046897|10.554332|6.594549|7.600895|12.394448|36.858105| |4.457680|4.583742|6.599013|6.152593|5.205917|3.869373|0.092649|4.696865|3.702321|5.582584|3.702397|3.028610|2.749918|2.897256|3.474600|4.083497|2.495803|5.329408|5.760200|4.891125|5.101125|10.522989|6.799065|3.363466|2.694955|7.825929|17.773415|7.923355|6.589357|7.571878|12.492416|36.858105| |3.207139|2.955380|3.714885|2.874839|2.560731|2.218432|0.055839|2.902932|2.318173|3.849727|2.213218|1.953705|1.885993|2.033028|2.333750|2.462244|1.896479|4.236757|4.462648|3.786984|2.511895|4.888878|3.844940|2.038827|1.769755|3.323538|6.033586|4.929554|7.563631|12.586775|7.573334|4.933983|36.858105| |3.183222|2.886763|3.524929|2.646374|2.340163|2.061560|0.052021|2.752054|2.222843|3.759441|2.047158|1.812930|1.752516|1.887395|2.159114|2.271961|1.770276|4.000329|4.124730|3.554636|2.257089|4.311861|3.492985|1.844972|1.622243|3.016455|5.316021|4.416510|6.778150|7.922005|5.572365|4.039046|16.013737|73.516695| |2.769390|2.561755|3.324723|2.601244|2.395094|2.101854|0.053329|2.710596|2.119659|3.513625|2.138200|1.917790|1.878543|2.036364|2.309632|2.380982|1.928768|4.292798|4.621697|3.850431|2.402417|4.694633|3.736586|2.015438|1.758257|2.925485|5.059005|3.920033|5.170043|8.107156|6.469307|4.384436|14.372976|15.300097|73.516695| |2.431381|2.227003|2.878394|2.207056|2.055164|1.848300|0.047258|2.408303|1.877040|3.159036|1.895288|1.724764|1.710606|1.860442|2.082872|2.106615|1.796271|4.045144|4.312842|3.610735|2.051407|3.938502|3.258442|1.768238|1.571432|2.419304|4.013045|3.089314|3.914778|5.168422|4.481098|3.335801|8.098134|12.778460|23.777905|36.858105| |2.138827|1.981481|2.621110|2.028649|1.934245|1.756783|0.045302|2.263052|1.734032|2.909950|1.824222|1.686640|1.692990|1.842476|2.029009|2.016755|1.806045|4.042905|4.409927|3.645745|1.964515|3.775755|3.167703|1.745813|1.562152|2.188681|3.521147|2.646055|3.148191|4.058930|3.800667|2.984280|5.269519|8.205955|14.293973|12.582926|36.858105| |17.598848|8.814768|9.377356|4.867849|3.993299|3.961447|0.090975|6.401834|6.541322|12.642446|3.807789|3.031315|2.768266|2.989514|3.736546|4.454169|2.561067|5.957922|5.371704|5.036790|3.111230|5.115545|4.835798|2.287374|2.061433|4.106998|5.855849|3.532678|3.364309|3.099758|3.602602|3.788095|2.801670|4.945312|4.427335|2.229669|1.995460|0.500000| |17.541530|8.874725|7.576903|4.335170|3.433219|3.181052|0.075811|4.864764|4.678151|8.668646|2.994732|2.470497|2.279017|2.436557|2.940490|3.380245|2.150549|4.966380|4.643763|4.284276|2.817623|4.839991|4.319084|2.096994|1.871481|4.190771|6.449867|4.193221|4.175101|3.579998|3.902303|3.916523|3.255867|5.961269|4.909827|2.460047|2.131490|0.301563|0.500000| |17.580877|8.827405|9.368636|5.650623|4.377022|3.909339|0.089336|5.656800|5.300305|8.713444|3.789022|2.989653|2.742567|2.996335|3.813784|4.558559|2.574341|5.868350|5.597690|4.992060|3.501094|5.995341|5.195468|2.475549|2.162452|5.212718|8.647130|4.831888|4.699953|4.336922|5.377894|5.517544|3.745760|6.447823|5.714381|2.761166|2.410245|0.299221|0.301433|0.500000| |8.920898|17.773541|12.420866|7.218258|4.787733|3.940203|0.093492|5.905596|5.810674|9.277366|3.353624|2.703437|2.381840|2.442939|2.893721|3.524027|2.098879|4.656448|4.561984|4.229689|3.779463|6.537515|5.458942|2.581300|2.223456|7.922221|10.686775|6.436829|5.053157|3.999003|4.312399|5.104313|3.262841|5.655309|4.907142|2.362528|2.076806|0.174173|0.215200|0.213403|0.500000| |8.866247|17.678284|12.538131|5.810246|4.321728|4.008678|0.095712|6.788226|7.597366|14.502709|3.375037|2.739695|2.402155|2.441960|2.862689|3.481467|2.093237|4.701837|4.441442|4.259851|3.317732|5.466110|5.066336|2.378470|2.120414|5.140214|6.418029|4.052342|3.496112|2.976285|3.232064|3.661334|2.585242|4.563174|4.024483|2.005338|1.795492|0.212433|0.213381|0.173616|0.303481|0.500000| |3.867986|4.365364|8.126488|5.137095|5.716653|9.065304|0.219630|26.022681|9.713641|14.275628|6.894011|5.479830|4.165143|3.789774|4.177914|5.487676|2.961949|6.359052|5.843204|6.170912|4.166021|5.963437|7.337499|3.179563|3.029952|3.664705|4.279190|2.592916|2.283928|2.196717|2.532141|2.951010|1.944277|3.301779|3.251450|1.645572|1.555077|0.118775|0.089850|0.100618|0.101603|0.120548|0.500000| |2.604634|2.751561|4.711128|3.737625|4.912517|7.023100|0.231485|7.077862|3.866925|5.884192|8.932501|17.717459|8.937239|5.662514|4.965354|5.657625|4.106171|7.690125|8.016630|9.028331|4.734836|6.644086|10.589928|4.762458|5.170926|2.976522|3.610202|2.223044|1.995563|2.035367|2.381651|2.765033|1.813253|3.001223|3.160751|1.603596|1.570697|0.075622|0.063019|0.074164|0.070486|0.071891|0.147469|0.500000| |2.276176|2.271330|3.639786|2.798813|3.337250|4.085568|0.115159|4.706825|2.898020|4.665862|5.633111|8.912590|17.750768|8.929281|5.646865|4.959720|7.002397|11.249095|12.247584|17.776814|3.292346|5.090353|6.656769|3.420945|3.696405|2.363560|3.050153|1.918414|1.791385|1.874625|2.197584|2.413594|1.720805|2.853190|3.065066|1.584119|1.580137|0.066812|0.056169|0.065988|0.058604|0.059259|0.099255|0.216002|0.500000| |3.530791|3.128006|4.786226|3.498722|3.725218|4.072033|0.096537|5.065393|3.583154|5.806462|5.632882|4.966291|5.651140|8.899722|17.729550|8.946185|7.093810|16.404632|14.171672|10.832866|3.335642|5.418052|5.649232|2.767471|2.569988|2.954341|4.181999|2.522547|2.459164|2.650372|3.354273|3.448956|2.465067|4.067635|4.361880|2.231008|2.170791|0.106233|0.084473|0.110440|0.078906|0.077376|0.099550|0.107750|0.124165|0.500000| |5.356233|4.952937|8.643621|6.213718|6.460298|6.917486|0.140202|8.469963|6.203998|8.872373|8.882347|5.657538|4.957864|5.656397|8.979293|17.726219|4.127878|8.873937|8.498310|7.537693|4.852676|7.411967|7.504857|3.344227|2.938593|4.528924|6.135483|3.368960|3.084109|3.171950|4.142724|4.799842|2.761109|4.532536|4.650233|2.286118|2.146583|0.158613|0.115214|0.170447|0.118543|0.114552|0.147908|0.124160|0.107651|0.216897|0.500000| |2.337128|2.518017|4.106646|3.760325|4.791120|4.249809|0.124390|4.396122|2.842350|4.294593|4.225917|4.245495|3.696534|3.306337|3.294714|3.664313|2.798401|5.403664|6.466944|5.911659|7.287029|13.161717|16.527020|17.627765|8.813195|3.538411|4.314689|2.719733|2.378476|2.524924|2.922684|3.584668|2.160981|3.436482|3.851742|1.891545|1.886416|0.062913|0.058026|0.069515|0.070089|0.063553|0.081203|0.121090|0.095826|0.080902|0.094369|0.500000| |2.265281|2.529776|4.128595|3.805192|4.753924|4.102613|0.126196|4.400501|2.852492|4.314249|3.668651|3.596604|3.044649|2.715306|2.743293|3.124406|2.319487|4.612824|5.231365|4.972163|7.239979|13.061532|16.531617|17.624563|8.814554|3.677811|4.236263|2.740736|2.328651|2.380743|2.652381|3.288556|2.025159|3.261930|3.540204|1.743548|1.715101|0.060526|0.056676|0.065827|0.071284|0.064928|0.080945|0.107202|0.079768|0.068180|0.082956|0.302527|0.500000| |2.053296|2.261566|3.708807|3.161014|3.994376|4.152056|0.142555|4.521170|2.768419|4.275152|3.828819|4.209585|3.486610|2.885174|2.749962|3.065260|2.455109|4.817000|5.345164|5.484498|4.889269|7.496176|12.890930|8.846197|17.569665|2.831600|3.322431|2.151641|1.885297|1.910093|2.130940|2.520892|1.679411|2.760188|2.940280|1.483850|1.465073|0.056685|0.051380|0.058420|0.061496|0.059658|0.087904|0.141896|0.095774|0.066750|0.077759|0.172956|0.210822|0.500000| |2.103593|2.249590|3.685384|3.129024|4.005792|4.288525|0.139241|4.501778|2.752288|4.246364|4.462175|5.355538|4.576699|3.624587|3.302736|3.563518|3.046081|5.738074|6.689152|6.833122|4.893971|7.510920|12.840148|8.849979|17.574117|2.763013|3.357272|2.140254|1.910811|1.982147|2.263588|2.646290|1.754592|2.863399|3.112566|1.572447|1.568473|0.058547|0.052319|0.060886|0.060641|0.058487|0.087940|0.178978|0.128106|0.078490|0.086781|0.211551|0.173006|0.300535|0.500000| |1.883539|2.029552|3.239963|2.768202|3.377141|3.350728|0.105700|3.702975|2.358505|3.686421|3.298886|3.629030|3.239488|2.764369|2.606953|2.798015|2.429914|4.719620|5.478812|5.443057|4.272186|7.167747|10.212197|8.900873|17.557869|2.581132|3.142128|2.062727|1.837681|1.903766|2.118265|2.464512|1.684768|2.745751|2.999471|1.516475|1.519960|0.051660|0.047554|0.054431|0.055870|0.053034|0.071782|0.113819|0.090601|0.064345|0.071224|0.211354|0.212064|0.300849|0.300936|0.500000| |4.827008|7.010161|9.959962|9.060051|5.897441|4.247340|0.104789|5.789372|4.949246|7.314784|3.412789|2.792557|2.403420|2.386777|2.740986|3.357263|2.037727|4.395123|4.481653|4.157535|4.971128|9.002998|6.738494|3.168525|2.613678|17.588454|12.539995|7.615859|4.859894|3.972706|4.211432|5.696201|3.082455|5.124372|4.767540|2.258313|2.030417|0.111458|0.119070|0.133187|0.261218|0.161925|0.097502|0.074767|0.059617|0.072615|0.106808|0.084495|0.090748|0.072477|0.069077|0.065373|0.500000| |3.854421|4.803546|7.741605|8.913232|7.215951|4.599710|0.115629|5.530365|4.232904|6.113727|3.749736|3.092427|2.639060|2.589724|2.940554|3.602913|2.192808|4.616376|4.902587|4.465006|7.435308|15.853622|8.877576|4.175391|3.195428|17.684029|12.278254|6.833119|4.531660|4.158876|4.627744|7.159550|3.133190|4.987647|5.031395|2.340578|2.153694|0.093481|0.094252|0.114020|0.153328|0.112482|0.093225|0.083045|0.065350|0.076642|0.110767|0.112684|0.122021|0.086255|0.082673|0.079403|0.304402|0.500000| |4.455523|5.304113|6.200384|4.896707|3.751908|2.984458|0.074787|4.064783|3.442482|5.538735|2.639127|2.237491|2.016899|2.060478|2.362362|2.734823|1.820979|3.992713|4.083406|3.706390|3.457718|6.659625|4.973848|2.497874|2.109068|7.397794|12.493349|17.561316|8.900318|5.528494|4.929680|5.710426|4.097894|6.939717|5.881614|2.723752|2.345641|0.099432|0.122418|0.128459|0.208336|0.125971|0.072344|0.059290|0.050663|0.065015|0.087061|0.069226|0.071509|0.057557|0.056304|0.054327|0.240580|0.171252|0.500000| |3.539108|3.978614|5.232519|4.551676|3.772147|2.922517|0.074311|3.762764|3.011195|4.746217|2.636857|2.269055|2.056934|2.094670|2.374384|2.713893|1.858663|4.013478|4.244924|3.783243|3.804009|7.973440|5.383013|2.791011|2.291271|7.044759|12.266633|17.395348|8.821514|6.776387|5.740168|7.065353|4.518244|7.040884|6.712821|2.978817|2.610316|0.082948|0.094153|0.107286|0.137061|0.095033|0.067154|0.060260|0.051878|0.065068|0.084380|0.079159|0.081149|0.061388|0.060491|0.059612|0.185290|0.199388|0.302278|0.500000| |4.859265|4.585567|5.170198|3.832369|3.114760|2.627089|0.064909|3.577088|3.025851|5.033598|2.490658|2.124664|1.983408|2.102819|2.458636|2.738623|1.898725|4.250762|4.312718|3.803142|2.867831|5.441344|4.258084|2.168042|1.869076|4.720297|9.471508|8.884633|17.579848|8.877679|6.819918|5.746385|6.992894|12.696965|8.484042|3.803207|3.020058|0.106874|0.143583|0.154640|0.155565|0.107352|0.065208|0.055000|0.049693|0.070564|0.088800|0.061797|0.060254|0.050243|0.051103|0.048522|0.128646|0.112448|0.217442|0.173618|0.500000| |3.455098|3.502340|4.217244|3.275444|2.768497|2.321826|0.058882|3.102961|2.536453|4.203100|2.185762|1.909093|1.784215|1.861861|2.117232|2.331571|1.697520|3.757986|3.892427|3.447998|2.681577|5.262482|4.020792|2.105879|1.809498|4.196069|7.646407|8.870112|17.559085|8.815779|5.512857|4.930219|6.844015|11.864731|8.568029|3.809316|3.054339|0.080495|0.099502|0.105070|0.117452|0.085864|0.056974|0.050207|0.045300|0.059972|0.072963|0.060181|0.059741|0.048602|0.048825|0.047589|0.116486|0.108353|0.213806|0.215635|0.303355|0.500000| |3.112586|3.092238|4.065370|3.365797|3.007285|2.482225|0.062908|3.153322|2.474855|3.988800|2.416022|2.123671|2.007621|2.114124|2.404107|2.607389|1.932345|4.204717|4.551055|3.882873|3.086351|6.370855|4.583402|2.456071|2.062714|4.201026|7.808931|6.828097|8.851717|17.511284|8.912144|6.872952|9.068937|10.921719|13.465076|4.901410|4.081115|0.075125|0.084174|0.099855|0.097512|0.074313|0.057709|0.055298|0.050822|0.068270|0.080404|0.072939|0.069022|0.053979|0.055801|0.054574|0.104467|0.116032|0.139994|0.199865|0.173982|0.214333|0.500000| |5.040584|4.327845|5.547990|4.302529|3.695839|3.128643|0.075015|4.049390|3.303820|5.300546|3.177511|2.653321|2.524228|2.790690|3.430498|3.767280|2.495086|5.559723|5.785203|4.813563|3.416736|6.438636|5.022604|2.530994|2.157710|4.709215|9.511610|5.766325|6.823915|8.831212|17.530881|8.876888|6.981516|10.141458|10.294274|4.340445|3.614622|0.118029|0.129540|0.192468|0.128041|0.097413|0.073363|0.066243|0.061815|0.101997|0.126492|0.074525|0.067825|0.056599|0.060304|0.055530|0.112278|0.114619|0.129130|0.132446|0.200326|0.139456|0.174364|0.500000| |3.549693|3.305478|4.538389|3.756612|3.481189|2.926052|0.072062|3.617579|2.799600|4.446666|3.028736|2.617010|2.524948|2.770329|3.280532|3.483962|2.516204|5.457616|6.054290|4.876911|3.509856|6.978361|5.210228|2.731945|2.294372|4.170524|7.655621|4.934019|5.519940|8.793117|17.575872|8.881891|6.873077|8.864841|12.639657|4.861619|4.351912|0.087895|0.091461|0.122208|0.097589|0.077455|0.066073|0.065800|0.062549|0.095993|0.109094|0.083413|0.073228|0.058936|0.063887|0.059852|0.097627|0.111266|0.108369|0.128813|0.139555|0.123375|0.216908|0.301815|0.500000| |3.592465|3.797826|5.573377|5.314920|4.855884|3.600384|0.089302|4.272751|3.255028|4.937860|3.424077|2.895627|2.631729|2.718270|3.143423|3.617364|2.365573|4.983182|5.522615|4.701992|5.320134|12.290791|7.086991|3.654701|2.851204|6.949416|12.270876|7.085642|5.767073|6.806807|8.844599|17.466992|4.538707|6.542122|7.508817|3.218169|2.958840|0.087331|0.089818|0.116882|0.117363|0.087897|0.075358|0.074811|0.065087|0.085463|0.111936|0.110413|0.101482|0.073251|0.076410|0.073242|0.144784|0.209779|0.144155|0.210128|0.132679|0.129303|0.202599|0.173742|0.216030|0.500000| |4.618305|4.673883|7.285293|7.014035|6.344120|4.651902|0.107553|5.400984|4.149256|6.083055|4.607959|3.624455|3.255104|3.463678|4.299365|5.260349|2.891221|6.091836|6.639619|5.564382|6.020175|11.612511|7.857288|3.740853|2.976631|7.257275|12.472239|5.712008|4.920635|5.518249|8.890149|17.610094|4.098031|6.167171|6.768927|3.024982|2.781119|0.113018|0.107997|0.160838|0.134839|0.103215|0.093025|0.089544|0.077533|0.116402|0.175701|0.111647|0.097914|0.076584|0.082606|0.074297|0.145072|0.183666|0.127835|0.144151|0.128402|0.108234|0.140944|0.216263|0.214015|0.303610|0.500000| |2.553823|2.283300|2.920644|2.200849|2.040791|1.855922|0.047205|2.441260|1.915650|3.250478|1.915552|1.738100|1.731982|1.901743|2.145220|2.154741|1.843914|4.205266|4.406706|3.688337|2.004191|3.790834|3.191503|1.715509|1.534099|2.372668|3.933098|2.971303|3.758046|4.744315|4.336435|3.221747|7.261331|12.917793|16.522737|17.616416|8.811801|0.065407|0.072434|0.080817|0.066575|0.057175|0.046506|0.044659|0.044439|0.064664|0.065343|0.050721|0.046702|0.040366|0.042887|0.040941|0.061744|0.062846|0.073760|0.077736|0.106230|0.099802|0.118455|0.124218|0.127914|0.083977|0.082655|0.500000| |2.281696|2.115199|2.710578|2.069554|1.918782|1.726134|0.044394|2.265196|1.770196|2.995973|1.749790|1.597270|1.576140|1.697332|1.886113|1.920904|1.636716|3.685768|3.898430|3.320343|1.915521|3.679227|3.051468|1.660770|1.480969|2.289866|3.756727|2.982577|3.808576|4.730292|3.887418|3.020083|7.251969|12.919339|16.527394|17.616555|8.812161|0.057989|0.064909|0.070716|0.062809|0.053432|0.043082|0.041559|0.040728|0.055613|0.057775|0.048992|0.045847|0.039056|0.040958|0.039813|0.060286|0.061714|0.074226|0.080582|0.102338|0.107936|0.127453|0.104234|0.112183|0.081783|0.075480|0.302594|0.500000| |1.962522|1.814531|2.392955|1.832735|1.752799|1.611233|0.041734|2.090402|1.600300|2.708017|1.675160|1.560545|1.574637|1.712520|1.869983|1.845467|1.695867|3.824376|4.130716|3.446543|1.772008|3.372283|2.886191|1.593131|1.441175|1.957947|3.099193|2.330124|2.739316|3.362381|3.168109|2.567041|4.271210|7.109091|10.212480|8.894292|17.555335|0.051312|0.054705|0.060673|0.052509|0.046123|0.040173|0.040489|0.041066|0.055661|0.054256|0.047548|0.043472|0.037692|0.040278|0.039055|0.050953|0.053429|0.058406|0.063705|0.074185|0.074733|0.093051|0.085690|0.097976|0.070435|0.067266|0.211567|0.211593|0.500000| |2.026384|1.912173|2.549246|1.996564|1.913872|1.726492|0.044813|2.210071|1.683435|2.811871|1.780116|1.653129|1.651450|1.777600|1.940565|1.942105|1.735488|3.844610|4.240688|3.528175|1.972991|3.837216|3.185512|1.775323|1.583172|2.177054|3.470419|2.640566|3.093060|3.982858|3.646101|2.947921|4.895044|7.461709|12.882648|8.850896|17.573071|0.052398|0.055851|0.063008|0.056018|0.048230|0.042115|0.043040|0.042980|0.056927|0.057068|0.053476|0.048785|0.041156|0.043886|0.043041|0.056100|0.060361|0.064810|0.074016|0.080327|0.084607|0.117369|0.093116|0.115917|0.083515|0.075624|0.172979|0.211104|0.300682|0.500000| 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