Version2.0 2020-07-20T04:37:31Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 02-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c([nH]c5c4cc(cc5)C#N)C C44714370 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c([nH]c5c4cc(cc5)C#N)C C01[X(C29H34N5O2)] 204 C1 608 N#Cc1ccc2c(c1)c(CCNC(=O)[C@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(cc1)C)c([nH]2)C N#Cc1ccc2c(c1)c(CCNC(=O)[C@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(cc1)C)c([nH]2)C Cc1ccc(cc1)C(=O)N2C[C@H](C(=O)NCCc3c(C)[nH]c4ccc(cc34)C#N)C5(CC[NH2+]CC5)C2 InChIKey=MYASRQDMVUBIGT-RUZDIDTESA-O InChI=1S/C29H33N5O2/c1-19-3-6-22(7-4-19)28(36)34-17-25(29(18-34)10-13-31-14-11-29)27(35)32-12-9-23-20(2)33-26-8-5-21(16-30)15-24(23)26/h3-8,15,25,31,33H,9-14,17-18H2,1-2H3,(H,32,35)/p+1/t25-/m1/s1 InChI=1/C29H33N5O2/c1-19-3-6-22(7-4-19)28(36)34-17-25(29(18-34)10-13-31-14-11-29)27(35)32-12-9-23-20(2)33-26-8-5-21(16-30)15-24(23)26/h3-8,15,25,31,33H,9-14,17-18H2,1-2H3,(H,32,35)/p+1/t25-/m1/s1/fC29H34N5O2/h31-32H/q+1 Cc1ccc(cc1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c([nH]c5c4cc(cc5)C#N)C C01[X(C29H34N5O2)] 204 C01 608 N#Cc1ccc2c(c1)c(CCNC(=O)[C@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(cc1)C)c([nH]2)C N#C[C]1[CH][CH][C]2[C]([CH]1)[C](=C(N2)C)CCNC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][CH][C]([CH][CH]1)C C[C]1[CH][CH][C]([CH][CH]1)C(=O)N2C[C@H](C(=O)NCCC3=C(C)N[C]4[CH][CH][C]([CH][C]34)C#N)C5(CC[NH2]CC5)C2 InChIKey=QRHUQYQPPPOCEN-RUZDIDTESA-N InChI=1S/C29H34N5O2/c1-19-3-6-22(7-4-19)28(36)34-17-25(29(18-34)10-13-31-14-11-29)27(35)32-12-9-23-20(2)33-26-8-5-21(16-30)15-24(23)26/h3-8,15,25,33H,9-14,17-18,31H2,1-2H3,(H,32,35)/t25-/m1/s1 InChI=1/C29H34N5O2/c1-19-3-6-22(7-4-19)28(36)34-17-25(29(18-34)10-13-31-14-11-29)27(35)32-12-9-23-20(2)33-26-8-5-21(16-30)15-24(23)26/h3-8,15,25,33H,9-14,17-18,31H2,1-2H3,(H,32,35)/t25-/m1/s1/f/h32H 3823.5170769808 -1539.8321653 1-A 22704.6538 129 479 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.62352 -20.61345 -15.81038 -15.69571 -15.68654 -15.67893 -15.67212 -11.44950 -11.43446 -11.42088 -11.40720 -11.39473 -11.37068 -11.36757 -11.36538 -11.36435 -11.36308 -11.35871 -11.35801 -11.35502 -11.35129 -11.34866 -11.34301 -11.34224 -11.33029 -11.32447 -11.32248 -11.31614 -11.31581 -11.31373 -11.31128 -11.31066 -11.30767 -11.29814 -11.29591 -11.28355 -1.49321 -1.48114 -1.45319 -1.39981 -1.35575 -1.34135 -1.33305 -1.25138 -1.23844 -1.22855 -1.18505 -1.17919 -1.14975 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 10464.4751 32618.0818 38995.7775 0.99999 -0.00072 -0.00423 0.00071 1.00000 -0.00245 0.00423 0.00244 0.99999 1 0.00828 0.00266 0.00222 0.17246 0.05533 0.04628 19.62 27.32 32.62 39.99 47.01 64.06 74.78 94.21 110.05 124.03 135.51 143.56 158.94 169.89 192.16 209.06 219.60 238.92 265.02 281.35 303.70 313.98 318.30 327.62 376.21 419.51 422.80 434.21 467.35 482.28 498.34 512.94 516.20 548.02 568.50 606.81 631.12 642.73 657.21 665.12 682.01 683.82 700.87 724.73 730.77 787.94 793.35 820.87 827.53 843.21 855.46 916.49 938.41 953.52 970.69 980.35 996.25 1015.13 1060.63 1081.24 1086.86 1122.86 1170.84 1200.91 1216.28 1220.49 1238.33 1241.88 1247.32 1264.81 1271.91 1317.62 1328.10 1355.90 1359.97 1371.93 1378.12 1381.02 1404.44 1473.42 1478.75 1484.63 1515.16 1537.53 1548.80 1556.61 1556.85 1577.16 1578.64 1584.44 1594.37 1600.89 1609.04 1624.41 1637.44 1647.90 1669.28 1677.74 1689.86 1691.46 1696.29 1732.74 1736.89 1740.94 1782.44 1803.42 1835.34 1837.14 1868.96 1881.12 1887.43 1895.05 1899.58 1915.88 1920.53 1923.75 1928.45 1934.04 1989.02 2001.67 2002.96 2009.53 2032.51 2066.12 2079.51 2093.61 2099.42 2101.17 2111.04 2131.55 2141.69 2160.16 2162.18 2196.47 2219.82 2225.80 2228.42 2250.24 2254.40 2259.34 2262.28 2267.90 2274.34 2291.85 2327.54 2327.76 2336.75 2344.88 2345.12 2353.57 2355.33 2360.85 2362.79 2369.93 2371.82 2385.77 2393.46 2408.09 2416.82 2432.86 2461.04 2527.16 2538.33 2565.35 2614.08 2627.96 2669.28 2749.30 2793.68 3692.42 4604.31 4607.94 4619.11 4619.27 4625.68 4640.81 4647.66 4686.91 4694.31 4699.70 4700.46 4711.65 4717.11 4723.96 4729.79 4737.11 4779.20 4781.58 4792.00 4793.01 4815.59 4822.43 4842.11 4845.71 4858.08 4866.57 4880.31 4892.29 4896.59 4909.93 5041.30 5347.55 5562.82 5608.07 0.642235 0.673213 0.674157 0.576623 -1539.189930 -1539.158952 -1539.158008 -1539.255542 3.271306D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE Cc1ccc(cc1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c([nH]c5c4cc(cc5)C#N)C C44714370 RHF 6-31G(d) (6D,10F) C1 484.271251 |X|Y|Z| 69.572702 36.502071 128.576138 68.860830 30 6 7 26 4 |36.858105| |12.618908|36.858105| |7.538195|13.721358|36.858105| |5.009043|7.894450|13.752942|36.858105| |4.420047|6.802771|7.918423|13.728291|36.858105| |5.021750|7.893800|6.893634|7.951512|13.677265|36.858105| |7.560530|13.661563|7.971940|6.895394|7.922623|13.817306|36.858105| |3.284906|4.440627|5.026051|7.541694|12.775504|7.694241|5.077070|36.858105| |2.945430|3.817562|4.046426|5.363343|8.095378|6.696545|4.536954|15.821613|73.516695| |2.887539|3.724941|4.404209|6.436144|7.755560|5.205575|3.950123|13.801866|15.034520|53.358707| |2.900531|3.670096|4.397574|6.063328|6.353986|4.598227|3.741650|7.628789|9.643563|17.670466|36.858105| |2.360548|2.842395|3.240084|4.064330|4.314604|3.485189|2.929392|5.308052|7.855293|10.854988|12.278436|36.858105| |2.205082|2.611917|3.015892|3.722104|3.769020|3.055207|2.632030|4.509984|6.817133|9.006750|8.850483|17.540764|0.500000| |2.201496|2.647756|2.927291|3.660192|4.164196|3.460163|2.826802|5.683290|9.300629|10.972146|7.764451|12.237080|0.248427|36.858105| |2.376124|2.920712|3.311183|4.353482|5.033428|3.916294|3.110213|7.857723|12.572564|17.901078|8.030403|8.146880|0.201111|12.365299|36.858105| |2.224657|2.670830|2.830714|3.444109|4.140044|3.684863|2.965365|5.507499|9.764532|8.580431|6.014319|7.338047|0.152150|12.338700|7.472861|36.858105| |2.023103|2.391426|2.484760|2.955071|3.560911|3.306130|2.686035|4.692705|9.415319|6.647897|4.272346|4.824295|0.113268|7.472262|6.102792|12.506742|36.858105| |1.766893|2.045911|2.143141|2.505390|2.877285|2.656310|2.237695|3.632893|7.019521|5.389640|3.601833|4.318485|0.108468|6.467503|5.168157|7.685801|12.674679|53.358707| |1.673372|1.921794|1.995500|2.305159|2.640443|2.479265|2.106958|3.276681|6.493533|4.695061|3.095050|3.550541|0.091205|4.939109|4.360295|5.682015|9.200930|25.712556|0.500000| |1.691745|1.939758|2.021936|2.330806|2.640608|2.465845|2.110706|3.220477|6.053420|4.783783|3.364201|4.123901|0.103584|5.707986|4.348864|6.954908|9.155987|25.425915|0.327662|0.500000| |1.745134|2.022065|2.167191|2.561275|2.859471|2.550669|2.162986|3.641937|6.777480|5.774760|3.844993|4.836504|0.129595|7.482848|6.074468|6.509010|7.584355|17.319274|0.256502|0.256109|36.858105| |1.873248|2.187579|2.391016|2.868193|3.144038|2.720279|2.306492|3.999964|6.927393|6.937720|4.985225|7.393766|0.200826|12.404183|7.451303|7.635733|6.488122|10.425686|0.157577|0.192810|12.469723|36.858105| |2.257744|2.648950|2.931750|3.463607|3.626397|3.123044|2.723134|4.076870|6.270323|7.040732|7.524725|12.476028|0.246716|7.201802|5.046786|6.194214|4.188802|5.205620|0.088418|0.108345|4.004296|5.640875|36.858105| |2.324253|2.721738|2.919304|3.380294|3.653662|3.280633|2.862079|4.007976|6.285053|6.383694|6.329370|7.996856|0.163323|6.107522|4.440790|6.496674|4.336863|5.154854|0.088163|0.109356|3.691146|4.774789|15.845998|73.516695| |2.046597|2.339428|2.594725|2.969934|2.988821|2.611664|2.350667|3.255077|5.101155|5.471638|5.434586|7.800331|0.213254|5.219140|4.013460|4.437254|3.348760|4.413447|0.076916|0.093243|3.494854|4.789917|14.078340|15.071923|53.358707| |1.935986|2.160694|2.348569|2.589148|2.585051|2.336006|2.159451|2.712804|4.324720|4.307156|4.058176|4.989534|0.134668|3.818768|3.101416|3.542383|2.812384|3.719099|0.066396|0.079940|2.844670|3.604487|7.722972|12.056154|17.747662|36.858105| |1.677845|1.844312|1.991022|2.170870|2.164382|1.976225|1.841081|2.283689|3.722776|3.579600|3.177727|3.876818|0.110302|3.211230|2.663365|2.970071|2.480896|3.411199|0.061802|0.074150|2.642147|3.253769|5.132371|8.161888|10.345475|12.292311|36.858105| |1.550133|1.691538|1.793231|1.939670|1.966237|1.831443|1.709674|2.078242|3.455401|3.179923|2.727941|3.276497|0.090442|2.893354|2.392841|2.803356|2.405218|3.348613|0.061195|0.074480|2.522399|2.988200|4.225777|7.285738|7.277001|7.425640|12.654686|36.858105| |1.439381|1.549969|1.628094|1.734976|1.752028|1.653087|1.562430|1.827799|3.060764|2.744465|2.311997|2.671378|0.073701|2.407416|2.048701|2.368571|2.083874|2.894189|0.053808|0.064071|2.156608|2.473194|3.297987|5.835257|5.359616|5.190048|7.381898|14.073314|36.858105| |1.361137|1.463171|1.521734|1.620146|1.655530|1.578539|1.489418|1.735461|2.944850|2.574416|2.125258|2.445836|0.066686|2.280546|1.939387|2.298005|2.064304|2.893668|0.054228|0.064922|2.117435|2.367989|2.958234|5.366521|4.557255|4.096206|5.136393|8.521175|13.757544|53.358707| |1.288208|1.375002|1.422553|1.503688|1.534506|1.473153|1.398681|1.599094|2.725413|2.349676|1.920495|2.172742|0.059281|2.043707|1.764135|2.069823|1.884728|2.637255|0.049925|0.058869|1.921002|2.114989|2.574267|4.692198|3.893421|3.421893|4.125099|5.980477|9.013356|26.077787|0.500000| |1.399126|1.518199|1.578038|1.698183|1.758036|1.674046|1.561063|1.870364|3.194541|2.784091|2.285613|2.690665|0.072528|2.562328|2.129080|2.619304|2.355680|3.346219|0.062217|0.076727|2.420752|2.703852|3.276562|6.004192|4.933913|4.243821|5.075638|8.281779|8.479068|19.099017|0.252350|36.858105| |1.520168|1.668337|1.753936|1.911712|1.977454|1.854424|1.712282|2.125333|3.588932|3.232220|2.712390|3.319813|0.089584|3.082488|2.485303|3.082737|2.677830|3.801129|0.069093|0.087198|2.801547|3.267528|4.231432|7.554905|6.671958|5.840164|7.278416|13.174064|8.510477|11.690990|0.166345|13.563490|36.858105| |1.576279|1.751930|1.844278|2.042638|2.149991|2.004920|1.819448|2.368611|4.033261|3.636432|3.017274|3.853560|0.102003|3.732750|2.875424|3.786440|3.264346|4.747656|0.084232|0.112787|3.465170|4.095234|4.879355|8.706193|7.185788|5.442031|5.834327|7.334022|5.284585|7.367679|0.119468|7.930105|13.778727|36.858105| |1.490653|1.651166|1.716855|1.893803|2.020596|1.913790|1.734359|2.236508|3.897109|3.352980|2.679826|3.308342|0.086684|3.416268|2.681139|3.646201|3.339066|4.997192|0.090329|0.124044|3.469016|3.803358|3.913286|7.246449|5.367806|3.956594|4.109745|5.020347|4.181970|6.372209|0.109987|6.970057|7.991907|13.738817|36.858105| |1.375303|1.504247|1.549889|1.684269|1.786345|1.715612|1.576459|1.942355|3.401421|2.856361|2.263040|2.679685|0.070856|2.738409|2.244762|2.930939|2.760778|4.063834|0.076141|0.097924|2.805652|2.976698|3.115161|5.830654|4.322542|3.326144|3.548891|4.528352|4.170460|7.037144|0.126461|8.032593|6.827428|7.813850|13.550245|36.858105| |1.336199|1.448789|1.493381|1.606678|1.681787|1.616847|1.503722|1.799392|3.119385|2.644247|2.122052|2.474773|0.066151|2.444814|2.041492|2.562570|2.376452|3.420197|0.064400|0.079717|2.415405|2.605817|2.917026|5.428933|4.189210|3.397129|3.791354|5.234863|5.266380|10.358719|0.185269|13.649015|7.762615|6.744444|7.905414|13.871302|36.858105| |1.523750|1.703522|1.768660|1.973809|2.144475|2.029829|1.811219|2.432396|4.322981|3.634599|2.813933|3.498263|0.090353|3.896989|2.999541|4.326915|4.165874|6.631679|0.117853|0.180358|4.346713|4.509462|3.901033|7.210380|5.029555|3.461549|3.420809|3.813412|3.228131|4.715275|0.084727|4.570142|5.184472|7.926854|13.266206|7.677904|5.104379|36.858105| |1.546477|1.740138|1.804165|2.030103|2.237039|2.117574|1.867178|2.589156|4.697534|3.842791|2.878532|3.550985|0.091074|4.231614|3.259729|4.857267|5.070439|8.827414|0.155363|0.274889|5.300860|5.032213|3.736487|6.858678|4.646147|3.091160|2.984936|3.185315|2.734707|3.913763|0.071677|3.593039|4.028718|5.615312|7.405387|5.363921|3.930263|16.729021|53.358707| |1.389355|1.478898|1.553166|1.633879|1.628315|1.540813|1.474909|1.673987|2.794553|2.495177|2.095571|2.349745|0.065471|2.103270|1.838613|2.054120|1.821565|2.508398|0.047090|0.054666|1.878474|2.134311|2.821430|4.961175|4.548935|4.332537|5.780884|7.323860|12.730968|10.449985|0.194871|5.223265|5.119247|3.758318|3.147931|3.169858|3.847131|2.577048|3.069643|36.858105| |17.547307|8.861817|5.927435|4.320647|3.970270|4.582003|6.659180|3.040277|4.879479|3.687594|2.783323|2.301567|0.059351|2.136828|2.254179|2.188525|1.981704|2.356506|0.045482|0.046426|1.696484|1.824255|2.253364|4.186427|2.786263|1.965339|1.698277|1.577713|1.471867|1.896624|0.036701|1.428117|1.545276|1.593448|1.507470|1.397400|1.363124|1.531620|2.104308|1.423792|0.500000| |17.559173|8.857751|5.831897|4.277717|3.964652|4.632117|6.807023|3.045484|5.006335|3.603462|2.595078|2.152194|0.056071|2.048432|2.222460|2.082653|1.930962|2.302517|0.044880|0.044884|1.664125|1.761622|2.048770|3.749253|2.534315|1.761690|1.544397|1.438249|1.340695|1.736691|0.033653|1.313684|1.418995|1.474650|1.406185|1.302836|1.262837|1.444230|2.004158|1.293579|0.302302|0.500000| |17.591049|8.836329|7.229049|4.741684|3.953549|4.171203|5.570982|3.027820|4.792881|3.737857|2.792559|2.285182|0.060187|2.105537|2.275565|2.088854|1.895606|2.283398|0.044114|0.044690|1.676197|1.808726|2.184725|3.941140|2.737520|1.907965|1.662553|1.525817|1.419814|1.817701|0.035134|1.364896|1.483907|1.529382|1.438669|1.328873|1.297361|1.462730|2.013092|1.380136|0.301672|0.301627|0.500000| |6.978455|8.917215|17.716701|8.945676|5.645271|4.962932|5.656070|4.094742|6.016644|5.200660|3.927085|2.991655|0.079392|2.663696|2.981588|2.530783|2.232150|2.676869|0.050996|0.051837|2.011670|2.226773|2.738155|4.775190|3.392237|2.279480|1.950887|1.745922|1.593288|2.015555|0.038536|1.522919|1.689249|1.758240|1.628854|1.477466|1.434133|1.663568|2.295564|1.535150|0.153679|0.150304|0.221563|0.500000| |4.092578|5.638145|8.949586|17.733551|8.899829|5.645915|4.965443|6.920732|8.790310|9.558556|6.763052|4.434371|0.117203|3.861411|4.722604|3.429291|2.920118|3.447801|0.064411|0.065326|2.665533|3.044006|3.634853|6.043960|4.313593|2.706694|2.276851|2.002833|1.780269|2.245458|0.042396|1.726382|1.958836|2.092166|1.920473|1.698682|1.622955|1.996277|2.788386|1.678350|0.100144|0.099141|0.113104|0.216994|0.500000| |4.095325|5.626002|4.965144|5.658690|8.925309|17.744438|8.931372|7.185576|13.090183|6.596840|4.183629|3.352923|0.080987|3.488608|3.880195|3.910704|3.637038|3.870134|0.074310|0.072958|2.652602|2.760618|3.028430|5.756265|3.426000|2.257611|1.925149|1.808961|1.634769|2.146245|0.040925|1.685422|1.857350|2.026808|1.962915|1.761087|1.645038|2.108869|3.026989|1.513442|0.107614|0.109305|0.095984|0.107738|0.124219|0.500000| |7.024388|8.900315|5.658666|4.962903|5.643369|8.962457|17.707967|4.140466|6.962874|4.513835|3.162518|2.585083|0.064799|2.531474|2.728576|2.707652|2.506733|2.859584|0.055470|0.055410|2.005029|2.108032|2.452601|4.638764|2.910751|1.994948|1.718329|1.615388|1.488732|1.945750|0.037477|1.496643|1.625072|1.720925|1.656222|1.519657|1.451130|1.728358|2.424440|1.408164|0.187385|0.195583|0.140729|0.124192|0.107724|0.215924|0.500000| |3.185045|4.091346|4.752735|6.325045|6.923647|5.241940|4.253109|7.279169|9.342885|12.293703|17.647663|8.721241|0.176117|6.291929|6.035462|5.864025|4.135629|4.610874|0.081532|0.089575|3.431768|4.256531|7.379044|12.862866|7.050817|4.120908|3.141961|2.740896|2.342068|2.940444|0.054347|2.317393|2.727278|3.002589|2.681366|2.285943|2.153495|2.787524|3.846001|2.125401|0.086466|0.077976|0.083645|0.114488|0.175163|0.130973|0.099187|0.500000| |2.969786|3.711349|4.686221|6.374841|5.735916|4.170626|3.579699|6.092469|7.977051|12.215301|17.606131|8.746544|0.228171|5.739095|6.221902|4.517095|3.468700|4.160261|0.074559|0.080061|3.324600|4.223015|6.277318|9.191390|7.072034|3.975061|3.149405|2.643241|2.259059|2.790183|0.051644|2.166917|2.558309|2.770082|2.440676|2.091935|1.992805|2.512376|3.456165|2.084601|0.078425|0.073017|0.081450|0.121482|0.222353|0.102341|0.083673|0.302158|0.500000| |2.233125|2.696477|3.105843|4.001570|4.295745|3.375759|2.787612|5.961090|9.560655|12.455958|6.778629|7.185943|0.213457|8.813807|17.515180|5.481621|4.764327|6.092094|0.108015|0.107038|5.703657|7.094898|4.576794|6.900460|5.311009|3.008186|2.643927|2.344636|2.010545|2.572694|0.047810|2.058302|2.403177|2.745910|2.537060|2.137607|1.961359|2.797013|4.088401|1.817700|0.058571|0.058127|0.060356|0.079877|0.126285|0.091172|0.068237|0.139738|0.167054|0.500000| |2.305815|2.820931|3.113648|4.003134|4.811949|3.914340|3.073862|7.685967|15.088836|12.497720|5.801457|5.708658|0.143784|8.551111|17.721703|6.892054|6.807956|7.590492|0.136033|0.123700|6.247488|6.334145|4.065103|6.708260|4.529626|2.684419|2.353333|2.162829|1.878851|2.453382|0.045890|1.981960|2.271399|2.625870|2.519124|2.136707|1.930606|2.868639|4.342480|1.691383|0.060561|0.060850|0.060847|0.077353|0.116163|0.111770|0.075900|0.135150|0.131972|0.302542|0.500000| |2.511962|3.084959|3.231412|3.982923|5.069762|4.558993|3.524763|6.787786|11.743293|9.566005|6.619287|6.710522|0.137533|8.716474|6.909093|17.633960|9.010388|7.633822|0.127352|0.142964|4.870389|5.516376|5.821031|11.622799|5.629386|3.398249|2.792492|2.623243|2.249030|2.957358|0.054760|2.433982|2.821930|3.333171|3.193955|2.654542|2.370635|3.631873|5.371942|1.979124|0.068753|0.064943|0.064578|0.078325|0.106267|0.136842|0.088492|0.197666|0.133685|0.139303|0.180050|0.500000| |2.098725|2.470937|2.593602|3.059757|3.551738|3.253554|2.713864|4.352165|7.569593|6.683737|5.190682|6.697831|0.141807|8.794020|5.477492|17.621985|8.909597|9.404194|0.144021|0.203352|5.728391|6.881806|6.879376|14.100161|6.661394|3.987529|3.316298|3.201696|2.665251|3.547540|0.064522|3.038906|3.634975|4.647850|4.479844|3.469785|2.977154|5.379675|7.985281|2.261415|0.058119|0.054448|0.054926|0.065236|0.084552|0.095175|0.069819|0.146898|0.113219|0.123095|0.138986|0.306474|0.500000| |2.092128|2.495048|2.595638|3.122654|3.841332|3.545445|2.826018|5.298367|11.683997|7.126906|4.206765|4.439061|0.107029|6.663054|6.665593|8.739519|17.647275|12.352928|0.225305|0.179974|6.822919|5.656221|3.694617|6.648117|4.097705|2.537251|2.249029|2.157388|1.889373|2.533531|0.047546|2.089600|2.352862|2.788845|2.820536|2.391277|2.097864|3.395765|5.457573|1.676509|0.056263|0.055879|0.054325|0.064338|0.085456|0.109687|0.072903|0.111186|0.096007|0.142076|0.240793|0.214008|0.173333|0.500000| |1.976194|2.310075|2.347085|2.724455|3.284538|3.189412|2.628191|4.091488|8.252334|5.509382|3.670750|4.011111|0.095041|5.460451|4.629139|8.813655|17.628533|12.414703|0.222176|0.226443|5.589572|4.901479|3.727747|7.183183|4.129414|2.642033|2.343156|2.319383|2.036243|2.783349|0.052187|2.340582|2.607837|3.153462|3.326996|2.810089|2.402056|4.171145|6.934454|1.780061|0.054276|0.052675|0.051090|0.058522|0.073447|0.099759|0.069481|0.102898|0.084549|0.104895|0.140751|0.213784|0.217468|0.301722|0.500000| |1.779229|2.071061|2.228671|2.654831|2.976345|2.632667|2.217268|3.871553|7.409410|6.056557|3.787099|4.456670|0.121403|6.693709|6.653513|5.686276|6.860385|12.426492|0.226569|0.180917|17.620644|8.757189|3.564394|5.845913|4.250303|2.563214|2.373601|2.245205|1.945869|2.588817|0.048334|2.136895|2.439841|2.917635|2.901634|2.421678|2.125797|3.496940|5.617917|1.722837|0.047613|0.047375|0.047487|0.057356|0.077072|0.076061|0.056882|0.092684|0.091995|0.178810|0.210843|0.126982|0.132081|0.201809|0.141690|0.500000| |1.590577|1.817075|1.939363|2.250273|2.464717|2.228435|1.927160|3.024028|5.587178|4.707834|3.234720|4.019220|0.111586|5.462117|4.611287|4.908039|5.581670|12.418099|0.222905|0.227358|17.626843|8.775925|3.511514|5.766068|4.374238|2.683005|2.575842|2.496666|2.149104|2.898166|0.053794|2.444627|2.799370|3.460665|3.538198|2.883083|2.464976|4.469026|7.454096|1.868290|0.043079|0.042265|0.042651|0.050538|0.065142|0.064108|0.050027|0.081277|0.080131|0.126837|0.130152|0.107760|0.129309|0.141130|0.127020|0.301360|0.500000| |1.784976|2.059222|2.229578|2.618295|2.837801|2.508487|2.163865|3.454236|5.941397|5.777367|4.457231|6.736862|0.181051|8.792988|5.460222|6.859293|5.689428|9.348498|0.143515|0.202292|8.900135|17.552844|6.115127|9.241938|7.362436|4.083522|3.751715|3.503146|2.826288|3.697098|0.066426|3.181333|3.968086|5.294833|4.797349|3.550682|3.049816|5.758594|8.426142|2.376412|0.048768|0.046536|0.047932|0.058046|0.076472|0.070740|0.055429|0.110567|0.106827|0.144439|0.132230|0.140078|0.202648|0.131177|0.128769|0.173427|0.216826|0.500000| |1.821454|2.114869|2.343747|2.805047|2.980431|2.548041|2.190293|3.716158|6.323808|6.560034|4.738026|6.771345|0.217382|8.763830|6.917169|5.515546|4.866532|7.616530|0.127299|0.142541|8.982936|17.555356|5.058787|7.344438|6.316659|3.481422|3.222063|2.888486|2.402265|3.090755|0.056516|2.545648|3.065104|3.696198|3.367392|2.705370|2.423199|3.807181|5.577916|2.101976|0.048992|0.047575|0.049349|0.061479|0.084696|0.070645|0.055408|0.109040|0.118085|0.217436|0.159962|0.122747|0.140109|0.126803|0.107709|0.214952|0.212419|0.303494|0.500000| |2.001770|2.283385|2.572561|2.956141|2.911447|2.506970|2.264567|3.179716|4.965135|5.453589|5.325700|7.514508|0.247169|5.012354|4.054714|4.011728|3.129856|4.201101|0.073939|0.087216|3.455890|4.772815|9.440975|10.903460|26.047205|9.048171|6.871917|4.722703|3.598951|4.155256|0.073394|3.245807|4.251602|4.509946|3.486715|2.860648|2.783460|3.320609|4.250626|3.153380|0.055093|0.050674|0.055173|0.069529|0.089893|0.066570|0.056970|0.132701|0.150468|0.114765|0.092409|0.103513|0.117236|0.079912|0.077828|0.087191|0.089098|0.144367|0.137415|0.500000| |1.955399|2.181187|2.327819|2.552381|2.601038|2.396092|2.212465|2.721679|4.381964|4.218497|3.910465|4.705719|0.119835|3.775092|3.024191|3.723232|2.939216|3.829535|0.068276|0.083482|2.830496|3.506996|7.508530|14.155615|12.641977|17.688321|8.724959|7.369822|5.306965|5.975406|0.101272|4.680229|6.408937|5.994957|4.379866|3.681589|3.754196|3.758622|4.496370|4.266532|0.055642|0.049507|0.052983|0.062024|0.072563|0.065040|0.057244|0.114932|0.102671|0.079462|0.073802|0.100251|0.120863|0.072586|0.078199|0.070380|0.073811|0.111245|0.090953|0.180270|0.500000| |2.033697|2.252161|2.463487|2.672685|2.604111|2.353105|2.211547|2.655792|4.183985|4.170943|3.974564|4.508561|0.122971|3.416568|2.906585|3.168557|2.547798|3.320963|0.060036|0.070260|2.537702|3.148618|6.381809|10.260338|12.449130|17.558575|8.766754|5.765773|4.556514|4.897135|0.086234|3.570659|4.522862|4.171354|3.246123|2.831747|2.924234|2.905660|3.608005|4.161824|0.057580|0.050966|0.056139|0.067256|0.077776|0.062276|0.056582|0.113941|0.112690|0.078790|0.070094|0.086950|0.096023|0.065065|0.066771|0.064868|0.066308|0.095323|0.085776|0.212200|0.304138|0.500000| |1.640659|1.783752|1.927839|2.073051|2.035768|1.865027|1.760332|2.112898|3.437449|3.278114|2.890268|3.369535|0.097040|2.799682|2.404001|2.589658|2.197442|3.004101|0.055123|0.064547|2.328096|2.807893|4.237269|6.835078|8.024324|8.815284|17.598206|8.963360|7.014850|6.413294|0.109615|4.319216|5.474383|4.431600|3.373067|3.038588|3.305505|2.871125|3.474703|6.575881|0.046202|0.041902|0.045504|0.053074|0.060526|0.050132|0.045715|0.079611|0.081532|0.066878|0.059389|0.068756|0.078620|0.056158|0.057899|0.059098|0.063197|0.087235|0.078394|0.159221|0.184192|0.232868|0.500000| |1.632339|1.802805|1.961145|2.160937|2.154494|1.946741|1.799966|2.310037|3.777642|3.677976|3.223320|4.061833|0.120887|3.393717|2.805595|3.028132|2.549144|3.583233|0.064735|0.077624|2.857794|3.580739|5.078924|7.646961|10.404141|8.805891|17.519703|8.959370|5.856300|6.090312|0.102084|4.606978|6.538061|5.809969|4.114451|3.469752|3.592829|3.513635|4.214579|4.746914|0.045502|0.041900|0.045013|0.053426|0.063687|0.052727|0.046502|0.085807|0.089055|0.078853|0.068478|0.077536|0.092623|0.064369|0.065902|0.070954|0.078276|0.115988|0.101199|0.216528|0.180632|0.185815|0.305809|0.500000| |1.680616|1.889813|2.012733|2.264497|2.386942|2.186469|1.960812|2.673795|4.503700|4.220154|3.564598|4.856856|0.128236|4.622119|3.389462|4.489903|3.694249|5.367792|0.092424|0.125946|4.049960|5.153111|6.340452|10.569079|9.369578|6.266731|6.204024|6.508862|4.583238|5.950151|0.099535|5.629856|8.902241|17.762314|8.903125|5.589822|4.888513|7.326903|7.817514|3.448642|0.046921|0.043503|0.045312|0.053138|0.065014|0.061109|0.050995|0.096642|0.089760|0.089827|0.083989|0.106673|0.154655|0.086934|0.095907|0.093030|0.109925|0.197689|0.127173|0.158887|0.182570|0.128469|0.127467|0.181954|0.500000| |1.318223|1.437954|1.472316|1.595524|1.701281|1.647357|1.514737|1.851141|3.280271|2.688505|2.092348|2.436677|0.064353|2.543835|2.119355|2.761777|2.689122|3.990524|0.076354|0.096487|2.699727|2.766250|2.752995|5.170767|3.743636|2.828221|2.961679|3.608398|3.409467|5.632431|0.106478|5.679174|4.930433|5.600965|8.858431|17.739528|8.962225|7.039122|7.249736|2.721493|0.037186|0.034874|0.035298|0.038917|0.044503|0.047303|0.040789|0.058736|0.053661|0.055946|0.056854|0.069765|0.089431|0.064980|0.077314|0.065181|0.077681|0.089641|0.069738|0.069711|0.086152|0.068381|0.072070|0.081120|0.123577|0.500000| |1.258346|1.354286|1.388591|1.482337|1.547969|1.499065|1.404233|1.643688|2.861075|2.391099|1.902470|2.175401|0.058339|2.155441|1.835522|2.262784|2.130010|3.050780|0.058279|0.070278|2.148709|2.280878|2.517672|4.689928|3.592489|2.908549|3.222815|4.274075|4.585230|9.115172|0.187696|8.819100|5.555638|4.886085|5.620201|8.932970|17.732542|4.132394|4.563308|3.587626|0.035725|0.033149|0.033962|0.037134|0.041470|0.042404|0.037848|0.053759|0.049929|0.049107|0.048589|0.058822|0.071782|0.052832|0.060231|0.053216|0.061039|0.072589|0.059380|0.067188|0.088365|0.071491|0.080746|0.084878|0.106447|0.215052|0.500000| |1.292171|1.371032|1.438916|1.511967|1.506411|1.426893|1.367012|1.552763|2.607503|2.308613|1.912589|2.139541|0.060137|1.943296|1.713967|1.891008|1.700868|2.365366|0.044720|0.051490|1.779044|1.997691|2.503566|4.367911|3.986294|3.600579|4.739637|5.798757|8.909284|9.282785|0.189346|4.733561|4.457408|3.387962|2.921742|2.994520|3.642174|2.415550|2.893731|17.545613|0.036667|0.033575|0.035718|0.039593|0.043219|0.039005|0.036329|0.053453|0.052957|0.047363|0.044060|0.050416|0.057377|0.043682|0.046167|0.045466|0.049609|0.061537|0.055045|0.078335|0.097437|0.095966|0.147248|0.116644|0.086261|0.072432|0.096848|0.500000| |1.386313|1.466156|1.527495|1.593537|1.589932|1.518516|1.463381|1.620269|2.709473|2.388182|1.999080|2.203050|0.060637|1.982030|1.744154|1.964498|1.748282|2.383784|0.044935|0.051872|1.764055|1.985169|2.639568|4.747569|4.131570|3.901109|4.714673|5.783035|8.911158|9.324540|0.191193|4.744506|4.455507|3.387692|2.925591|3.001696|3.653240|2.420372|2.900673|17.545616|0.039703|0.035866|0.038195|0.041918|0.045124|0.041476|0.039013|0.056991|0.055119|0.047578|0.044809|0.053126|0.060049|0.044780|0.047860|0.045144|0.048504|0.060882|0.053917|0.078751|0.110888|0.106743|0.144704|0.108195|0.086203|0.072628|0.097223|0.301423|0.500000| 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