Version2.1 2021-01-19T10:08:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1C[C@H](C[NH+](C1)CC(=O)N(CC(C)C)c2c(n(c(=O)[nH]c2=O)Cc3ccccc3)N)C C15350234 RHF 6-31G(d) (6D,7F) C[C@@H]1C[C@H](C[NH+](C1)CC(=O)N(CC(C)C)c2c(n(c(=O)[nH]c2=O)Cc3ccccc3)N)C C01[X(C24H36N5O3)] 198 C1 552 CC(CN(c1c(=O)[nH]c(=O)n(c1N)Cc1ccccc1)C(=O)C[NH+]1C[C@H](C)C[C@H](C1)C)C CC(CN(c1c(=O)[nH]c(=O)n(c1N)Cc1ccccc1)C(=O)C[NH+]1C[C@H](C)C[C@H](C1)C)C CC(C)CN(C(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1)C2=C(N)N(Cc3ccccc3)C(=O)NC2=O InChIKey=DDNGGOZHLQCPIB-QZTJIDSGSA-O InChI=1S/C24H35N5O3/c1-16(2)11-28(20(30)15-27-12-17(3)10-18(4)13-27)21-22(25)29(24(32)26-23(21)31)14-19-8-6-5-7-9-19/h5-9,16-18H,10-15,25H2,1-4H3,(H,26,31,32)/p+1/t17-,18-/m1/s1 InChI=1/C24H35N5O3/c1-16(2)11-28(20(30)15-27-12-17(3)10-18(4)13-27)21-22(25)29(24(32)26-23(21)31)14-19-8-6-5-7-9-19/h5-9,16-18H,10-15,25H2,1-4H3,(H,26,31,32)/p+1/t17-,18-/m1/s1/fC24H36N5O3/h26-27H/q+1 C[C@@H]1C[C@H](C[NH+](C1)CC(=O)N(CC(C)C)c2c(n(c(=O)[nH]c2=O)Cc3ccccc3)N)C C01[X(C24H36N5O3)] 198 C01 552 CC(CN(c1c(=O)[nH]c(=O)n(c1N)Cc1ccccc1)C(=O)C[NH+]1C[C@H](C)C[C@H](C1)C)C CC(CN([C]1[C]([NH2])N(C(=O)NC1=O)C[C]1[CH][CH][CH][CH][CH]1)C(=O)C[NH]1C[C@H](C)C[C@H](C1)C)C CC(C)CN([C]1[C](N)N(C[C]2[CH][CH][CH][CH][CH]2)C(=O)NC1=O)C(=O)C[NH]3C[C@H](C)C[C@@H](C)C3 InChIKey=XMADVBSHRWOEHR-QZTJIDSGSA-N InChI=1S/C24H36N5O3/c1-16(2)11-28(20(30)15-27-12-17(3)10-18(4)13-27)21-22(25)29(24(32)26-23(21)31)14-19-8-6-5-7-9-19/h5-9,16-18,27H,10-15,25H2,1-4H3,(H,26,31,32)/t17-,18-/m1/s1 InChI=1/C24H36N5O3/c1-16(2)11-28(20(30)15-27-12-17(3)10-18(4)13-27)21-22(25)29(24(32)26-23(21)31)14-19-8-6-5-7-9-19/h5-9,16-18,27H,10-15,25H2,1-4H3,(H,26,31,32)/t17-,18-/m1/s1/f/h26H 3433.1611611811 -1426.5271673 1-A 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275.83 286.04 321.89 333.07 353.87 358.30 362.09 383.76 400.67 422.84 432.71 443.31 485.28 516.32 561.18 584.31 592.79 606.83 621.26 647.58 653.80 664.24 675.90 686.55 702.54 704.27 722.68 745.91 758.63 772.13 810.43 863.50 892.13 930.46 964.20 977.28 1001.06 1016.51 1037.77 1063.83 1098.01 1120.08 1146.95 1176.33 1216.86 1222.63 1229.13 1243.09 1260.85 1281.96 1286.64 1335.54 1341.02 1385.55 1386.56 1397.29 1432.00 1452.71 1463.45 1476.04 1477.97 1482.96 1494.01 1516.02 1529.63 1539.55 1544.81 1567.31 1596.25 1609.66 1621.90 1626.44 1637.87 1661.80 1673.05 1701.95 1725.95 1745.54 1765.67 1773.12 1782.75 1785.06 1812.31 1836.68 1852.74 1865.38 1876.49 1878.87 1880.25 1883.70 1909.09 1931.69 1961.95 1975.88 2010.53 2014.50 2029.98 2065.46 2071.33 2084.66 2114.47 2120.32 2138.26 2144.03 2157.10 2163.76 2173.71 2181.22 2188.73 2218.90 2235.45 2244.45 2246.58 2255.86 2260.05 2264.16 2273.11 2275.41 2285.10 2309.06 2335.08 2337.89 2346.09 2350.65 2354.40 2356.98 2361.16 2361.77 2363.59 2366.94 2368.91 2373.91 2375.14 2382.08 2389.02 2394.08 2397.98 2405.42 2564.40 2570.62 2604.90 2662.22 2741.90 2780.15 2863.16 4600.72 4601.55 4609.21 4614.65 4616.16 4621.46 4626.39 4649.42 4649.75 4685.27 4691.47 4694.77 4699.67 4703.92 4705.80 4717.73 4718.33 4718.63 4728.43 4732.57 4736.31 4737.33 4768.92 4771.20 4812.25 4812.31 4836.50 4844.23 4846.50 4860.64 4874.76 4888.25 5225.98 5497.00 5535.29 5659.60 0.638496 0.668178 0.669122 0.575883 -1425.888672 -1425.858989 -1425.858045 -1425.951284 3.127251D-04 MUNgauss RevisionA2.0 retrievium 19-Jan-2021 DUDE C[C@@H]1C[C@H](C[NH+](C1)CC(=O)N(CC(C)C)c2c(n(c(=O)[nH]c2=O)Cc3ccccc3)N)C C15350234 RHF 6-31G(d) (6D,10F) C1 442.281815 |X|Y|Z| 59.786687 47.289627 107.464497 67.227216 22 6 7 18 4 |36.858105| |12.448494|36.858105| |8.940369|17.521848|0.500000| |7.500434|12.425441|0.245645|36.858105| |4.863105|7.441852|0.186518|12.393590|36.858105| |4.085838|5.495991|0.137695|8.902442|17.548447|0.500000| |4.384481|6.463496|0.158398|7.574439|12.444775|0.252285|36.858105| |4.958238|7.623406|0.192995|6.544108|7.615173|0.155963|12.713542|53.358707| |4.679787|7.154348|0.213145|5.956662|7.071052|0.143460|9.218624|25.602239|0.500000| |7.633924|12.484916|0.248750|7.592239|6.452863|0.137042|7.660904|17.176949|0.258838|36.858105| |3.832106|4.983252|0.130076|4.398873|4.957449|0.115408|7.637283|17.441012|0.265722|7.688854|36.858105| |3.534620|4.368167|0.123070|3.648832|3.926471|0.092159|5.097270|10.697313|0.227126|6.122071|12.417409|36.858105| |3.641704|4.599788|0.139766|3.763394|4.062596|0.093362|4.908411|10.091132|0.265124|5.882330|8.187240|15.853200|73.516695| |3.022531|3.480280|0.096768|2.964536|3.102076|0.075621|3.854316|7.082274|0.143906|4.617676|7.602907|14.042524|14.988983|53.358707| |2.775037|3.098179|0.083019|2.725815|2.827956|0.070876|3.538979|6.042178|0.114751|4.087637|6.508453|7.651533|9.388319|17.531565|36.858105| |2.444690|2.759132|0.073660|2.551052|2.739310|0.070371|3.483394|5.493281|0.103491|3.517410|5.884864|5.863473|7.737129|10.092529|12.395339|36.858105| |2.148337|2.425937|0.066447|2.268197|2.473359|0.063953|3.047929|4.687688|0.092868|2.957821|4.663573|5.047458|7.244559|8.492082|7.450642|12.449389|36.858105| |2.209042|2.413022|0.063635|2.263677|2.379323|0.062431|2.927892|4.414774|0.082527|2.986765|4.282682|4.111086|5.834332|6.718405|7.661796|12.422331|7.549243|36.858105| |2.905860|3.209513|0.091550|2.679491|2.716728|0.066465|3.176411|5.659153|0.119691|4.009865|5.134008|8.177972|12.641668|18.143913|7.736559|5.060050|4.695007|3.912298|36.858105| |2.458181|2.684913|0.077744|2.306394|2.362753|0.058676|2.693235|4.549298|0.098141|3.176214|3.953996|5.683363|9.806013|10.551899|5.612008|4.282175|4.438166|3.440841|13.979285|36.858105| |2.304060|2.444031|0.071264|2.097924|2.109839|0.052739|2.332723|3.849894|0.083122|2.787056|3.172083|4.215171|7.628593|6.988576|4.162432|3.323484|3.406874|2.845173|8.007287|13.859183|53.358707| |2.476159|2.552605|0.074485|2.148052|2.104860|0.052441|2.288518|3.792805|0.081399|2.871566|3.021745|3.891873|7.121660|6.135632|3.764428|2.967701|2.904279|2.609049|6.807448|7.898750|18.652808|36.858105| |2.266592|2.293486|0.067028|1.952623|1.900719|0.047757|2.029336|3.283618|0.070340|2.506510|2.556992|3.150031|5.816773|4.786382|3.062384|2.512144|2.476660|2.265324|4.774313|5.433490|11.442029|15.984559|73.516695| |2.954925|3.016532|0.087210|2.457159|2.361877|0.058169|2.585769|4.417684|0.093684|3.480063|3.503405|4.553403|8.174133|7.098864|4.292632|3.219971|2.997332|2.812346|8.064547|7.056453|11.112428|13.930485|15.128986|53.358707| |3.069701|3.020371|0.087016|2.441067|2.295777|0.056699|2.465757|4.152766|0.087371|3.390361|3.184975|3.921322|7.094077|5.818685|3.690435|2.852232|2.630636|2.554509|5.820961|5.151658|8.043052|9.475633|13.945747|25.961300|0.500000| |3.332016|3.526488|0.100209|2.821436|2.734789|0.066476|3.104078|5.575533|0.116432|4.371022|4.640938|6.499408|10.836268|10.682086|5.905729|4.042969|3.591612|3.378111|13.279389|7.838006|9.265387|7.764301|9.608011|18.860878|0.259472|36.858105| |4.066163|4.223786|0.115926|3.240802|3.038974|0.073131|3.461746|6.395045|0.128095|5.510135|5.140633|6.509302|10.478930|9.393386|5.713964|3.967465|3.352512|3.381084|8.132830|5.363431|6.472917|5.393336|7.546981|11.526757|0.214785|15.762859|73.516695| |1.962378|2.069828|0.060296|1.820764|1.844087|0.046726|2.014196|3.214054|0.069234|2.304675|2.614058|3.290088|5.977120|5.247057|3.334377|2.850023|3.039065|2.512640|5.099230|7.652423|17.534599|7.788842|12.436144|7.053705|0.118932|4.459694|6.181830|36.858105| |1.872963|1.996777|0.058988|1.776182|1.819345|0.046169|1.963390|3.091665|0.067774|2.180349|2.465225|3.068745|5.794358|4.631346|2.894238|2.569372|2.799400|2.246251|4.204886|5.866471|10.299006|5.520679|9.365724|5.589495|0.098175|3.685436|5.334010|12.565950|36.858105| |1.951708|2.077663|0.062416|1.837191|1.871445|0.047251|1.984210|3.126235|0.069602|2.222522|2.419528|2.996507|5.886654|4.315603|2.652041|2.348615|2.501272|2.050311|3.879024|4.967691|8.477239|5.304316|9.419549|5.540649|0.100080|3.585123|5.286931|7.524913|13.681487|36.858105| |1.813596|1.939328|0.058558|1.743565|1.791507|0.045522|1.875567|2.895701|0.064798|2.038051|2.206590|2.657352|5.264607|3.714573|2.316096|2.109769|2.265650|1.851732|3.160501|3.825087|5.918910|3.859852|6.902273|4.360920|0.081119|2.932606|4.495928|5.011661|7.917007|13.783771|36.858105| |1.646628|1.767969|0.052856|1.615828|1.678745|0.043060|1.765919|2.683525|0.059559|1.864338|2.065497|2.444901|4.746756|3.439110|2.188948|2.045031|2.245500|1.805473|2.834452|3.425888|5.068950|3.220210|5.682517|3.718220|0.069208|2.571577|3.991361|4.429055|6.838693|7.925208|13.715266|36.858105| |1.597485|1.716081|0.050693|1.572762|1.639600|0.042207|1.749564|2.658840|0.058344|1.837546|2.091086|2.480182|4.692145|3.586766|2.315599|2.182329|2.449290|1.932110|2.949620|3.675566|5.381087|3.263682|5.667817|3.729122|0.068515|2.604624|4.007064|5.015240|7.895601|6.870522|7.948156|13.784130|36.858105| |1.690446|1.810840|0.053166|1.641340|1.701150|0.043595|1.837972|2.836221|0.061828|1.970822|2.271798|2.752430|5.122569|4.124963|2.654901|2.452949|2.759051|2.163388|3.513922|4.665355|7.109090|4.013888|6.844883|4.395896|0.078929|3.034283|4.542098|7.574996|13.723045|7.948192|6.891842|7.941549|13.714987|36.858105| |2.192189|2.423660|0.069996|2.147675|2.254644|0.056673|2.585310|4.223053|0.091120|2.834422|3.722240|5.087046|8.708042|9.037076|5.200841|4.453893|5.200882|3.521764|8.017396|14.103868|11.160965|5.270166|7.381434|6.404064|0.104861|5.171794|7.188156|6.895332|6.011399|4.755904|3.859647|3.677080|4.162885|5.379599|53.358707| |4.120156|5.904181|0.179553|7.420662|12.413553|0.248861|7.487643|8.260919|0.189180|5.030328|4.293443|3.745182|7.381045|4.025310|2.609628|2.524048|2.368051|2.170326|2.655213|2.369572|2.901299|2.111796|3.408694|3.165446|0.062504|2.639178|5.045432|1.879958|1.894523|1.979229|1.924602|1.800582|1.734978|1.775568|3.106897|36.858105| |17.545335|8.763213|0.173702|6.798281|4.523746|0.110454|4.222766|6.231663|0.114614|6.879788|3.689118|3.296655|5.811482|3.928173|2.745980|2.443076|2.116542|2.251815|2.736990|2.314564|2.945257|2.314112|3.773795|3.743920|0.079303|3.112702|6.787634|1.854895|1.756524|1.808057|1.678690|1.537717|1.504617|1.596572|2.829507|3.664960|0.500000| |17.567615|8.765152|0.214245|5.463612|4.032472|0.095019|3.843127|6.250979|0.123574|6.966065|3.749485|3.651203|6.727931|4.338092|2.892267|2.478941|2.179980|2.237829|3.168353|2.657612|3.435143|2.780486|4.521769|4.636177|0.100701|3.801154|8.476902|2.121170|2.004260|2.096851|1.924852|1.728817|1.674750|1.785482|3.155837|3.598084|0.301110|0.500000| |17.578538|8.819545|0.214436|6.847579|4.496602|0.108228|3.826302|5.579419|0.111288|5.532612|3.232177|3.028432|5.648666|3.569837|2.410736|2.160694|1.934986|1.967345|2.552572|2.215713|2.865540|2.260887|3.739297|3.589269|0.076463|2.884589|6.019234|1.821771|1.758677|1.848290|1.737397|1.578934|1.521149|1.594720|2.718101|4.000327|0.301846|0.301889|0.500000| |7.002327|8.876486|0.173999|17.509542|8.843695|0.223047|6.782744|7.748416|0.136005|6.817937|4.149202|3.364647|5.932351|3.833442|2.679402|2.531222|2.216806|2.294700|2.531328|2.175899|2.698171|2.032388|3.294004|3.167413|0.064490|2.671540|5.503212|1.727512|1.670293|1.710922|1.618592|1.508533|1.479398|1.549739|2.763969|5.476781|0.208445|0.141911|0.173810|0.500000| |6.816869|8.832522|0.214519|17.570424|8.833426|0.209314|5.516927|6.676655|0.132457|5.522704|3.565755|3.109543|5.817196|3.523908|2.380061|2.236629|2.025853|2.006916|2.397168|2.105239|2.648518|2.002529|3.278992|3.080418|0.063013|2.532771|5.082564|1.708194|1.680355|1.753107|1.679208|1.555450|1.503082|1.556123|2.677284|6.992900|0.167160|0.139935|0.203626|0.303962|0.500000| |4.240646|5.730003|0.132832|6.790905|8.763388|0.221492|17.598430|12.443011|0.180892|7.044533|6.991194|4.565690|7.414550|4.977967|3.555020|3.561432|3.017294|3.089241|3.002999|2.538373|3.006030|2.176407|3.443303|3.357926|0.065749|2.959689|5.948247|1.914456|1.844590|1.846029|1.737587|1.643370|1.640793|1.732313|3.314807|5.472504|0.120409|0.102807|0.101808|0.198510|0.139059|0.500000| |3.545013|4.856547|0.127861|5.497084|8.770131|0.211473|17.612914|12.389941|0.221271|5.599464|7.188155|4.979704|8.554656|5.180201|3.487824|3.589736|3.245280|2.968369|3.095335|2.683514|3.134905|2.215236|3.493474|3.336884|0.064218|2.918260|5.589037|2.012320|1.982526|1.992766|1.899612|1.808683|1.799268|1.879070|3.603415|7.028655|0.094715|0.089113|0.088512|0.138890|0.123295|0.301050|0.500000| |6.886005|8.751376|0.215117|5.498032|4.843461|0.108097|5.605592|12.335366|0.223939|17.644705|7.296588|7.011067|11.985966|7.330862|4.556096|3.665391|3.076393|3.083751|4.872499|3.686655|4.395485|3.398099|5.168243|5.874762|0.116547|5.698323|14.004927|2.590897|2.411328|2.459280|2.212603|1.997822|1.969974|2.139895|4.299684|4.190488|0.168194|0.206465|0.140993|0.139489|0.123147|0.144775|0.126596|0.500000| |6.913575|8.790230|0.174039|6.850762|5.762382|0.132380|7.082711|12.416678|0.181978|17.583038|7.015541|5.235926|8.365306|5.810480|4.092852|3.589261|2.925385|3.151443|3.657817|2.919239|3.501425|2.647308|4.140542|4.338542|0.086886|3.965427|8.933827|2.152193|2.016240|2.028694|1.861224|1.719418|1.710207|1.838751|3.583823|4.281300|0.204612|0.171316|0.140826|0.201285|0.139849|0.215683|0.144906|0.300733|0.500000| |3.840659|4.710602|0.117128|4.177983|4.434403|0.107112|6.504311|12.362828|0.185226|7.427232|17.687764|8.644261|10.643894|9.483864|7.216950|6.399493|4.575699|4.896616|4.841248|3.695563|4.108799|2.923997|4.423278|4.678658|0.087974|4.565316|9.409331|2.495888|2.308219|2.244097|2.035702|1.910307|1.946979|2.128884|4.676135|3.691467|0.107141|0.104718|0.088726|0.115551|0.094071|0.191929|0.162224|0.197547|0.222416|0.500000| |3.255779|4.155075|0.110404|3.957284|4.762645|0.115599|7.489138|12.362594|0.213473|5.636985|17.626065|8.850527|11.857945|8.659577|5.792893|6.149859|5.132570|4.379457|4.405599|3.623855|3.966339|2.714706|4.138456|4.127855|0.076622|3.837497|7.199720|2.473289|2.370410|2.309493|2.138179|2.036231|2.074941|2.232460|4.905920|4.230172|0.087811|0.087319|0.078784|0.104415|0.091175|0.190380|0.234208|0.144827|0.148764|0.300919|0.500000| |2.509347|2.722843|0.073719|2.399210|2.455460|0.062130|2.959107|4.906088|0.095576|3.441557|4.800017|5.761027|7.885761|12.700688|17.648046|8.934413|6.783410|7.144626|7.821093|6.155522|6.290562|4.103727|5.896824|6.187420|0.107023|5.938315|9.522388|3.706893|3.085669|2.752908|2.366743|2.241491|2.406442|2.820187|7.659377|2.301357|0.068992|0.073573|0.061321|0.065610|0.059223|0.082434|0.081109|0.107502|0.095535|0.143856|0.121950|0.500000| |3.064210|3.366113|0.087649|2.926189|2.955799|0.074004|3.707576|6.371305|0.115830|4.589574|6.652305|6.848480|8.656195|12.284106|17.550860|8.777013|5.452903|7.048836|6.432291|4.636573|5.028383|3.542818|5.211775|5.740444|0.104423|5.850073|11.334250|2.973631|2.591151|2.424267|2.130258|1.998818|2.086355|2.362917|5.631609|2.647793|0.085871|0.088910|0.072634|0.081345|0.070191|0.106673|0.097872|0.143190|0.133792|0.237042|0.154022|0.305526|0.500000| |2.594403|3.000598|0.079138|2.832013|3.119508|0.080344|4.151461|6.386926|0.116362|3.883508|7.242452|6.128771|8.027871|8.950311|8.800932|17.518900|8.940586|8.974507|4.460369|3.746277|4.045361|2.707035|4.118749|4.039092|0.074189|3.719789|6.735083|2.560558|2.364846|2.208640|2.013258|1.949416|2.051269|2.261512|5.248335|2.815622|0.072290|0.071695|0.063471|0.078354|0.067998|0.119783|0.121077|0.108045|0.111355|0.221238|0.232243|0.174397|0.211764|0.500000| |1.978329|2.225454|0.060707|2.127222|2.338933|0.061523|2.857951|4.210678|0.082982|2.659475|4.019926|4.083379|6.098178|6.349105|5.456559|8.810820|17.570433|7.014475|3.707195|3.566011|3.912437|2.496828|3.869451|3.485901|0.063612|2.989579|5.058724|2.640193|2.478166|2.232964|2.060049|2.068104|2.254489|2.489951|5.629463|2.237479|0.054496|0.055218|0.049923|0.058167|0.053094|0.079483|0.085748|0.075253|0.073892|0.110609|0.126807|0.140793|0.122742|0.212807|0.500000| |2.221299|2.554784|0.071090|2.384617|2.645863|0.067734|3.269942|5.086586|0.103808|3.100520|5.063889|5.775477|8.465699|9.176937|6.621148|8.729566|17.545880|5.477950|4.984130|4.798930|4.885725|3.009639|4.536745|4.197413|0.074620|3.703390|6.066736|3.185732|3.021158|2.721642|2.481065|2.461035|2.670811|2.982472|8.013994|2.587876|0.059959|0.062488|0.055726|0.063696|0.059185|0.087237|0.098718|0.089435|0.082945|0.128433|0.159670|0.161600|0.137356|0.214983|0.303134|0.500000| |2.019915|2.238833|0.061713|2.073148|2.219727|0.057418|2.660751|4.114078|0.082541|2.688521|3.918533|4.441505|6.603033|7.866421|6.837995|8.767722|17.542932|6.734195|4.812884|4.841577|5.074381|3.096124|4.689335|4.235557|0.075196|3.634952|5.847963|3.390915|3.047120|2.642280|2.362016|2.353916|2.621526|3.026653|8.065204|2.144494|0.055196|0.057585|0.050778|0.056272|0.051959|0.073050|0.077377|0.079050|0.073652|0.107932|0.114076|0.202936|0.139687|0.173762|0.302023|0.300583|0.500000| |2.346279|2.531338|0.065616|2.371031|2.448812|0.064382|3.012445|4.529263|0.082810|3.163497|4.310889|3.969260|5.644372|6.265160|7.032514|8.730444|5.476701|17.548068|3.715393|3.182114|3.659147|2.538743|3.940670|3.809501|0.071780|3.376809|6.243969|2.352601|2.099104|1.942409|1.754595|1.695971|1.794836|1.999401|4.267753|2.188512|0.067497|0.065908|0.057588|0.067809|0.058057|0.090527|0.082786|0.090303|0.095643|0.145375|0.118100|0.177781|0.214178|0.212699|0.141969|0.122260|0.138528|0.500000| |2.037317|2.231003|0.058914|2.140135|2.278829|0.060705|2.787163|4.047106|0.075966|2.701401|3.807441|3.559857|5.211920|5.509854|5.533577|8.787917|6.884989|17.574973|3.283208|2.977573|3.411642|2.297965|3.600653|3.323150|0.062192|2.864665|5.100864|2.265246|2.065281|1.892829|1.733580|1.707908|1.828748|2.020687|4.246563|2.084529|0.057796|0.056711|0.050922|0.060467|0.053026|0.082111|0.079913|0.075872|0.079183|0.117642|0.112778|0.143704|0.143328|0.216514|0.210460|0.141656|0.165755|0.301982|0.500000| |2.058015|2.212975|0.058939|2.058382|2.138227|0.056056|2.564107|3.890816|0.074218|2.689528|3.646325|3.702807|5.398502|6.266959|6.892855|8.763903|6.853820|17.544186|3.901538|3.547037|4.047611|2.705895|4.189675|3.900931|0.072042|3.362046|5.824270|2.660062|2.333968|2.096606|1.878955|1.837525|1.988034|2.254094|4.963526|1.979480|0.058029|0.058571|0.051243|0.057692|0.051266|0.074108|0.071884|0.078473|0.077855|0.112530|0.101535|0.212091|0.171295|0.174155|0.173935|0.138982|0.199641|0.301541|0.301963|0.500000| |1.894338|1.963893|0.057052|1.726371|1.727736|0.043934|1.866625|2.955969|0.063251|2.160945|2.366287|2.902221|5.265787|4.544635|2.972589|2.545491|2.653366|2.300419|4.334193|5.763048|12.650477|7.858404|15.178808|6.888094|0.121610|4.105834|5.830271|17.699947|8.894372|6.622002|4.581551|3.995166|4.362014|6.024712|6.857299|1.754846|0.049866|0.057229|0.049098|0.045688|0.045259|0.049573|0.051403|0.067480|0.056397|0.063541|0.061877|0.091842|0.075666|0.064003|0.065005|0.076016|0.081491|0.060688|0.057783|0.067863|0.500000| |1.855922|1.962100|0.056520|1.745757|1.779777|0.045402|1.962408|3.101201|0.065992|2.203117|2.568546|3.182865|5.605257|5.211222|3.449913|3.007777|3.287077|2.681267|4.838235|7.132982|12.464117|5.973174|9.481531|6.058186|0.103602|4.071525|5.771454|17.621381|8.859771|5.573342|4.181808|3.980188|4.776282|7.322086|10.038001|1.799928|0.049216|0.055244|0.047771|0.046349|0.045343|0.052236|0.054814|0.068094|0.057867|0.068771|0.068369|0.109525|0.084033|0.073679|0.079295|0.094014|0.105564|0.068693|0.067189|0.080402|0.303430|0.500000| |2.109254|2.223464|0.067216|1.935089|1.943561|0.048760|2.047568|3.263412|0.072807|2.366521|2.493278|3.104030|6.167272|4.430308|2.698935|2.340062|2.428502|2.046473|4.094744|5.039671|9.051276|6.387935|11.798986|6.501883|0.118595|3.992257|5.841055|6.969766|8.894967|17.722604|8.938799|5.643420|4.951421|5.648229|6.035258|2.049503|0.053886|0.063788|0.055439|0.049917|0.051355|0.052873|0.056416|0.073755|0.059607|0.064441|0.064988|0.077540|0.069577|0.061365|0.059973|0.072864|0.070646|0.054474|0.052121|0.057920|0.184631|0.140263|0.500000| |1.832525|1.952358|0.059492|1.756124|1.795597|0.045598|1.852237|2.844349|0.063993|2.016620|2.124446|2.524150|5.066275|3.449544|2.155167|1.964855|2.080108|1.731418|2.898549|3.361451|5.124099|3.526444|6.399655|4.115518|0.078247|2.766144|4.323847|4.087704|5.639337|8.942203|17.722981|8.906038|5.651691|4.962260|4.505269|1.948445|0.046825|0.054019|0.049196|0.045063|0.047380|0.047484|0.051891|0.060565|0.050922|0.054372|0.057001|0.060535|0.055783|0.052655|0.052853|0.063139|0.059484|0.045948|0.045147|0.048471|0.107540|0.096127|0.216067|0.500000| |1.556994|1.671330|0.050005|1.543217|1.608265|0.041478|1.676554|2.513746|0.055771|1.743488|1.914547|2.223179|4.317953|3.080638|1.981665|1.875028|2.053526|1.666217|2.483644|2.907265|4.208325|2.748444|4.872600|3.260926|0.061541|2.278796|3.602839|3.543649|4.934788|5.642208|8.901137|17.725329|8.922974|5.645180|4.235100|1.737134|0.040415|0.045122|0.041758|0.040006|0.041522|0.043317|0.047854|0.051381|0.044752|0.049196|0.052773|0.055916|0.050642|0.050118|0.053189|0.062417|0.059212|0.043608|0.044131|0.046877|0.090910|0.090594|0.124190|0.214745|0.500000| |1.484730|1.595005|0.046848|1.477801|1.548030|0.040139|1.651587|2.477534|0.054015|1.704729|1.950979|2.270645|4.244599|3.274952|2.156155|2.073715|2.351750|1.854067|2.624808|3.188030|4.533902|2.797089|4.856654|3.274122|0.060679|2.320043|3.623353|4.095577|5.631146|4.951248|5.646259|8.917894|17.723566|8.912481|4.992241|1.635469|0.039050|0.042956|0.039366|0.038770|0.039288|0.043203|0.047446|0.050295|0.044375|0.050661|0.054346|0.062139|0.054037|0.054286|0.061092|0.070853|0.069929|0.047680|0.049247|0.053042|0.101204|0.113768|0.107508|0.124135|0.214754|0.500000| |1.621558|1.733835|0.050377|1.580593|1.640872|0.042270|1.786972|2.742231|0.059058|1.902146|2.227315|2.668595|4.837430|4.084077|2.705002|2.534759|2.901713|2.261323|3.420344|4.516704|6.640842|3.732450|6.306601|4.159156|0.074705|2.916175|4.389306|7.031862|8.900212|5.642597|4.959113|5.651498|8.921199|17.681139|7.420560|1.694874|0.042890|0.047422|0.042368|0.041754|0.041485|0.047179|0.050874|0.057157|0.049807|0.058562|0.061205|0.081135|0.066353|0.064081|0.073073|0.085714|0.090663|0.057497|0.058820|0.066342|0.157344|0.225605|0.123994|0.107637|0.124238|0.215783|0.500000| |2.248450|2.534311|0.072815|2.269283|2.428384|0.061005|2.845996|4.650291|0.100135|3.008014|4.256918|5.879547|9.672463|10.458097|5.867297|5.294720|6.647255|3.923532|7.553964|9.585820|8.110878|4.343921|6.231689|5.652183|0.094914|4.832834|7.057892|5.075828|4.722301|4.001013|3.429743|3.325708|3.697914|4.457279|26.062028|2.451938|0.059383|0.065211|0.056669|0.059558|0.057244|0.074162|0.082330|0.091650|0.077658|0.106783|0.117842|0.165140|0.124280|0.127256|0.139857|0.231074|0.201161|0.094887|0.096942|0.109704|0.110893|0.149320|0.104724|0.083741|0.080361|0.093266|0.125874|0.500000| |2.031156|2.234408|0.065121|1.998853|2.101676|0.053129|2.364201|3.781061|0.082455|2.546412|3.214863|4.207407|7.566600|6.827294|4.094862|3.675638|4.329673|3.017045|5.908438|9.424083|10.265485|4.895587|7.219572|5.667797|0.095387|4.306842|6.149729|7.706046|7.737559|5.628058|4.555759|4.460252|5.299898|7.293531|26.017259|2.161368|0.053325|0.059520|0.052019|0.052331|0.051423|0.061603|0.067606|0.077891|0.065573|0.082176|0.087649|0.121254|0.094546|0.091022|0.100880|0.136484|0.135249|0.075287|0.076148|0.086801|0.149165|0.227475|0.135874|0.104196|0.101642|0.126049|0.201308|0.316479|0.500000| |4.347806|6.373349|0.220777|6.626729|8.643555|0.172890|6.632263|8.887284|0.232196|5.436582|4.558315|4.218501|8.850123|4.423295|2.769066|2.613366|2.465630|2.214852|2.961233|2.634426|3.223022|2.351985|3.773859|3.539492|0.069607|2.955998|5.614589|2.065897|2.092024|2.211491|2.143764|1.979857|1.891554|1.938643|3.413730|17.541549|0.103332|0.108902|0.115946|0.135683|0.172117|0.135797|0.171842|0.130842|0.121106|0.105912|0.120619|0.067932|0.077399|0.079810|0.063725|0.075688|0.062443|0.061692|0.058414|0.056523|0.053361|0.054372|0.064090|0.060547|0.052797|0.049077|0.050939|0.074496|0.065991|0.500000| 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