Version2.1 2020-11-29T03:26:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 16-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE NC(=N)c3ccc(CNC(=O)[C@@H]1CCNN1C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn3 347129 CHEMBL208055 RHF 6-31G(d) (6D,7F) NC(=N)c3ccc(CNC(=O)[C@@H]1CCNN1C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn3 C01[X(C22H33N7O4)] 192 C1 561 OC(=O)CN[C@@H](C(=O)N1NCC[C@H]1C(=O)NCc1ccc(nc1)C(=N)N)CC1CCCCC1 OC(=O)CN[C@@H](C(=O)N1NCC[C@H]1C(=O)NCc1ccc(nc1)C(=N)N)CC1CCCCC1 NC(=N)c1ccc(CNC(=O)[C@@H]2CCNN2C(=O)[C@@H](CC3CCCCC3)NCC(O)=O)cn1 InChIKey=XLGQBSAFMBZUFQ-MSOLQXFVSA-N InChI=1S/C22H33N7O4/c23-20(24)16-7-6-15(11-25-16)12-27-21(32)18-8-9-28-29(18)22(33)17(26-13-19(30)31)10-14-4-2-1-3-5-14/h6-7,11,14,17-18,26,28H,1-5,8-10,12-13H2,(H3,23,24)(H,27,32)(H,30,31)/t17-,18+/m1/s1 InChI=1/C22H33N7O4/c23-20(24)16-7-6-15(11-25-16)12-27-21(32)18-8-9-28-29(18)22(33)17(26-13-19(30)31)10-14-4-2-1-3-5-14/h6-7,11,14,17-18,26,28H,1-5,8-10,12-13H2,(H3,23,24)(H,27,32)(H,30,31)/t17-,18+/m1/s1/f/h23,27,30H,24H2 NC(=N)c3ccc(CNC(=O)[C@@H]1CCNN1C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn3 C01[X(C22H33N7O4)] 192 C01 561 OC(=O)CN[C@@H](C(=O)N1NCC[C@H]1C(=O)NCc1ccc(nc1)C(=N)N)CC1CCCCC1 OC(=O)CN[C@@H](C(=O)N1NCC[C@H]1C(=O)NC[C]1[CH][CH][C]([N][CH]1)C(=N)N)CC1CCCCC1 NC(=N)[C]1[CH][CH][C]([CH][N]1)CNC(=O)[C@@H]2CCNN2C(=O)[C@@H](CC3CCCCC3)NCC(O)=O InChIKey=XLGQBSAFMBZUFQ-MSOLQXFVSA-N InChI=1S/C22H33N7O4/c23-20(24)16-7-6-15(11-25-16)12-27-21(32)18-8-9-28-29(18)22(33)17(26-13-19(30)31)10-14-4-2-1-3-5-14/h6-7,11,14,17-18,26,28H,1-5,8-10,12-13H2,(H3,23,24)(H,27,32)(H,30,31)/t17-,18+/m1/s1 InChI=1/C22H33N7O4/c23-20(24)16-7-6-15(11-25-16)12-27-21(32)18-8-9-28-29(18)22(33)17(26-13-19(30)31)10-14-4-2-1-3-5-14/h6-7,11,14,17-18,26,28H,1-5,8-10,12-13H2,(H3,23,24)(H,27,32)(H,30,31)/t17-,18+/m1/s1/f/h23,27,30H,24H2 3546.2676815782 -1532.940428 1-A 19758.4319 123 438 561 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.60759 -20.54857 -20.54322 -20.53320 -15.63038 -15.61258 -15.58630 -15.58156 -15.55721 -15.55344 -15.52289 -11.37752 -11.35875 -11.35010 -11.31402 -11.29713 -11.28757 -11.28347 -11.27564 -11.27370 -11.27112 -11.26903 -11.26193 -11.25923 -11.25720 -11.23911 -11.22548 -11.22007 -11.21371 -11.21313 -11.21282 -11.21224 -11.21170 -1.47107 -1.41944 -1.39836 -1.36350 -1.34571 -1.29929 -1.25275 -1.23899 -1.22377 -1.14446 -1.13483 -1.12245 -1.11413 -1.08414 -1.06541 -1.05497 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15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 15.99491 12.00000 14.00307 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 9667.8252 26715.3548 33866.0168 0.99994 0.01072 -0.00121 -0.01071 0.99994 0.00191 0.00123 -0.00190 1.00000 1 0.00896 0.00324 0.00256 0.18667 0.06755 0.05329 18.38 20.67 32.70 37.70 45.60 54.49 71.66 76.16 86.35 97.94 112.42 123.76 132.16 148.01 164.74 187.99 223.77 231.33 250.04 261.24 289.80 319.83 351.78 358.61 390.22 403.45 444.80 462.22 494.14 508.36 514.41 522.35 547.64 589.64 617.17 657.45 662.64 666.98 681.62 688.80 702.47 748.26 771.09 821.95 844.15 854.69 867.91 902.48 918.49 935.38 966.72 983.74 998.50 1017.60 1065.03 1088.50 1097.54 1114.16 1132.79 1177.46 1211.47 1223.52 1239.14 1245.58 1270.11 1305.33 1310.56 1313.76 1334.89 1371.91 1372.86 1386.48 1392.85 1414.62 1417.43 1446.80 1448.84 1484.08 1506.31 1523.11 1536.12 1542.27 1557.04 1595.42 1602.63 1607.60 1608.90 1616.99 1631.93 1641.14 1645.12 1683.87 1695.12 1695.24 1708.85 1737.43 1740.94 1748.15 1805.03 1817.82 1823.63 1875.94 1882.76 1885.76 1887.91 1892.66 1911.45 1939.65 1947.13 1955.11 1972.77 1976.06 2002.16 2006.22 2018.30 2024.04 2037.65 2049.97 2071.36 2087.41 2095.79 2100.16 2116.62 2141.16 2157.92 2164.05 2179.88 2187.26 2192.81 2201.51 2203.65 2217.31 2224.70 2241.16 2245.34 2266.99 2272.79 2286.55 2329.44 2343.42 2351.92 2358.11 2359.55 2365.61 2366.23 2386.46 2386.77 2398.02 2399.59 2413.06 2444.68 2488.98 2550.49 2579.22 2621.24 2709.93 2734.72 2806.76 2883.16 4560.88 4566.61 4578.03 4581.39 4584.66 4592.09 4608.09 4618.59 4635.75 4642.55 4645.37 4653.83 4654.88 4663.43 4665.26 4675.96 4691.52 4728.43 4730.67 4744.61 4777.84 4813.37 4814.29 4852.05 4903.24 4905.53 5356.57 5459.94 5461.97 5489.27 5493.30 5656.72 5774.71 0.607391 0.637415 0.638359 0.540877 -1532.333037 -1532.303013 -1532.302069 -1532.399551 3.269562D-04 MUNgauss RevisionA2.0 retrievium 29-Nov-2020 DUDE NC(=N)c3ccc(CNC(=O)[C@@H]1CCNN1C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn3 347129 CHEMBL208055 RHF 6-31G(d) (6D,10F) C1 459.259403 |X|Y|Z| 118.845523 68.919682 29.736207 62.450687 23 6 7 19 4 |53.358707| |18.920555|36.858105| |11.350578|15.121273|53.358707| |10.730920|12.629192|10.529079|36.858105| |7.047153|7.526321|8.652424|13.730370|36.858105| |5.428521|5.034741|5.940758|7.998638|13.785078|36.858105| |5.257992|4.490097|5.082590|6.963946|7.954851|13.741512|36.858105| |4.068052|3.314128|3.927193|4.490444|5.017461|7.507319|12.622491|36.858105| |3.763635|2.998958|3.586185|3.892804|4.321460|5.952217|7.865668|13.110694|53.358707| |3.157820|2.474616|3.025944|3.054133|3.335506|4.280466|5.153939|7.828473|19.261759|36.858105| 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|4.710114|3.262199|3.665985|3.886808|3.447872|3.692781|4.688852|4.500021|6.409526|3.990302|6.089589|3.787141|0.102053|2.974509|2.954293|4.980028|6.118791|5.564547|10.663758|5.256843|0.127672|3.902716|3.315787|2.988055|2.527131|2.229265|2.354635|2.712721|9.286037|7.950790|15.972088|15.294920|73.516695| |6.476726|5.237981|5.502936|8.353868|7.057442|8.064229|13.740040|7.567565|7.839922|4.180652|6.586256|3.442904|0.095822|2.731353|2.476409|3.790451|4.623207|3.628765|7.466926|3.074249|0.078332|2.601769|2.239034|2.056381|1.803237|1.663418|1.754540|1.984383|4.455573|3.648154|5.041921|9.350355|10.397584|36.858105| |9.629409|7.910340|7.263452|14.390850|8.038893|6.928267|7.978277|5.074944|5.829207|3.313232|5.283772|2.884933|0.082056|2.354579|2.171077|3.278656|3.909615|3.134112|6.480552|2.759586|0.069865|2.410071|2.115748|1.926168|1.714733|1.596871|1.698930|1.903123|4.078656|3.467225|4.729481|9.802599|8.950320|14.420543|53.358707| |26.014830|9.569264|10.680016|5.779190|4.241849|3.361111|3.236528|2.595325|3.289329|2.069193|3.394490|1.937889|0.055927|1.677165|1.596274|2.348232|2.661126|2.144801|4.288564|2.026806|0.051726|1.888520|1.746811|1.585481|1.467163|1.398983|1.505409|1.633332|3.026760|2.605903|3.110355|6.784577|5.309923|3.842874|7.124599|0.500000| |26.058287|9.452050|8.340923|7.512524|4.868795|3.972112|4.080858|3.162674|3.941154|2.422163|3.935310|2.234713|0.063907|1.895443|1.803216|2.703183|3.108504|2.533197|5.105100|2.375632|0.060283|2.149658|1.962480|1.779452|1.625187|1.527279|1.637563|1.794914|3.620786|3.168649|4.054148|9.076852|7.060935|5.382390|11.307044|0.314774|0.500000| |8.239425|10.100267|25.922619|7.508317|7.362440|4.850784|3.912256|3.013370|3.712704|2.296548|3.790994|2.091368|0.061282|1.812765|1.661184|2.374832|2.718094|2.113233|4.273064|1.903249|0.048880|1.784142|1.608786|1.469559|1.343440|1.291692|1.382357|1.520413|2.692981|2.225761|2.610530|5.364775|4.584375|4.012718|6.835286|0.155218|0.136544|0.500000| |6.401000|6.899524|9.369414|8.869611|17.763382|8.928816|5.654487|4.081757|4.996524|2.957394|4.780670|2.627243|0.078335|2.219988|1.976151|2.807334|3.297347|2.537582|5.260102|2.192380|0.055914|2.037233|1.787454|1.624916|1.459851|1.399867|1.498744|1.678556|3.026099|2.479332|2.938027|5.919616|5.202658|5.051184|7.768161|0.112197|0.117490|0.252785|0.500000| |4.516355|4.087160|5.125613|5.666555|8.925197|17.708024|8.903317|6.910582|7.962398|4.402850|7.045451|3.575011|0.105923|2.928785|2.466894|3.469038|4.182320|3.059706|6.308363|2.500167|0.064404|2.267042|1.934268|1.778994|1.567338|1.488625|1.574828|1.789596|3.319117|2.606339|3.075892|5.733108|5.685485|5.688645|6.778533|0.080174|0.090723|0.118580|0.215070|0.500000| |3.901694|3.085914|3.643085|4.044866|4.214861|5.619368|8.904073|17.566398|12.372133|6.924497|11.903341|4.626303|0.116213|3.630897|3.134196|4.839596|5.892593|4.050882|7.556501|3.265104|0.087677|2.672924|2.263368|2.158151|1.859345|1.693643|1.741818|1.979801|4.390612|3.206790|3.948053|6.382603|8.571447|7.208441|6.552592|0.069673|0.086081|0.076370|0.096718|0.141186|0.500000| |3.675396|3.037919|3.715529|3.988804|4.660167|6.955407|8.875060|17.611822|12.522473|7.064805|12.637858|4.581472|0.120739|3.701649|3.010772|4.333083|5.221118|3.518438|6.745560|2.808815|0.074901|2.421591|2.050563|1.942696|1.687533|1.568092|1.621925|1.844226|3.661119|2.710779|3.194703|5.445842|6.376670|5.699836|5.777054|0.066218|0.078034|0.080699|0.110031|0.203890|0.303797|0.500000| |4.064023|3.197458|3.765652|4.153162|4.490803|5.862862|7.497023|8.995531|25.951130|9.486157|10.934253|7.636331|0.223603|4.762058|3.986433|6.147090|9.062830|6.838962|15.859207|4.537868|0.111427|3.727519|2.905845|2.615091|2.176627|2.009273|2.130602|2.535949|5.663965|4.285945|5.144606|8.329404|9.764439|6.032502|6.269496|0.071766|0.086905|0.078563|0.105320|0.152436|0.195537|0.181593|0.500000| |2.420405|1.863706|2.343063|2.171066|2.329173|2.761488|3.053677|3.887222|6.672318|7.453624|14.509742|8.846683|0.177580|17.627143|8.779015|9.098899|8.694703|4.430013|6.990017|3.531708|0.102451|3.149814|2.592350|2.585569|2.153705|1.993371|1.994853|2.323860|3.966708|2.615910|2.655225|4.235966|5.019269|2.687018|3.127832|0.045193|0.051094|0.049206|0.060021|0.080319|0.105073|0.108097|0.121271|0.500000| |2.404521|1.856222|2.351932|2.139988|2.320543|2.706398|2.869632|3.436510|6.059811|5.941344|9.682432|8.729351|0.223386|17.594350|8.681766|7.866415|8.088113|4.476050|7.344818|3.532458|0.098186|3.385427|2.729808|2.637032|2.192118|2.084854|2.127900|2.528324|3.881570|2.618187|2.595053|4.232566|4.710557|2.524185|3.014763|0.044984|0.050131|0.049487|0.060814|0.079778|0.088884|0.094843|0.117875|0.301581|0.500000| |2.175193|1.634590|2.057081|1.850571|1.924453|2.180534|2.393956|2.826224|4.649415|4.347191|7.615828|5.700513|0.130559|8.645978|17.607515|12.395242|8.134582|4.402400|6.417240|3.981210|0.124671|3.717901|3.132853|3.320831|2.691498|2.461171|2.380104|2.784291|4.248153|2.656762|2.528589|3.966607|4.666855|2.231272|2.681649|0.041015|0.046046|0.042573|0.049976|0.061669|0.078715|0.075680|0.092445|0.218374|0.191346|0.500000| |2.324764|1.744522|2.190839|1.972304|2.055331|2.311770|2.503264|2.873541|4.922108|4.408639|7.023988|6.617002|0.167518|8.745916|17.579379|12.499795|9.713303|5.524284|7.951874|4.839369|0.142062|4.913107|3.837483|3.822602|2.983610|2.793824|2.797459|3.455580|4.823831|3.041121|2.806104|4.424060|4.994692|2.334635|2.835246|0.043686|0.048923|0.045246|0.053548|0.065284|0.077686|0.075542|0.102886|0.173826|0.218319|0.301168|0.500000| |2.532689|1.886218|2.324285|2.175877|2.217885|2.544964|2.947780|3.592616|5.988129|5.656245|9.577360|6.881950|0.142388|7.072048|9.402295|25.841262|13.286582|6.296025|8.303613|5.533810|0.187613|4.310984|3.507929|3.695008|2.895788|2.515864|2.452780|2.885343|5.824742|3.427906|3.327423|4.941834|6.451509|2.805704|3.267011|0.047215|0.054603|0.047726|0.056127|0.069859|0.105056|0.091432|0.119223|0.189921|0.141699|0.231443|0.182923|0.500000| |2.600757|1.893986|2.345843|2.101849|2.111442|2.284444|2.480032|2.657988|4.435037|3.465862|5.300791|4.580806|0.130390|4.218057|5.310352|8.178241|8.181802|7.195206|10.128060|8.906759|0.217623|17.494065|8.851016|6.796211|4.532303|4.193696|4.564075|6.916745|7.628812|4.581511|3.663679|5.637818|6.034049|2.443329|3.058117|0.048817|0.055015|0.047474|0.054729|0.062150|0.072331|0.067042|0.100900|0.097045|0.108514|0.121992|0.179171|0.129243|0.500000| |3.003426|2.157153|2.642703|2.377637|2.347918|2.485199|2.679877|2.746023|4.529004|3.295271|4.946686|4.076028|0.122362|3.473306|3.880347|6.043551|6.909340|7.171961|12.187216|8.847042|0.174798|17.543635|8.858235|5.464859|4.062571|3.847316|4.620064|7.118243|9.221020|6.397527|4.626757|7.236233|6.995438|2.704877|3.460945|0.056021|0.063450|0.052915|0.060656|0.066331|0.073857|0.068019|0.107905|0.082323|0.090891|0.091175|0.120573|0.103057|0.304636|0.500000| |2.703392|1.888418|2.319959|2.026340|1.945538|2.021352|2.202077|2.244482|3.475509|2.545878|4.027844|2.928592|0.082093|2.646659|3.040929|4.856341|4.961605|4.545802|7.298410|6.772364|0.165903|8.916871|17.529688|8.928910|6.850756|5.696347|6.839076|8.906667|9.698788|5.963635|4.062250|6.211888|6.332503|2.304365|2.998384|0.051325|0.057948|0.045887|0.050325|0.053411|0.062692|0.056101|0.079080|0.066114|0.068425|0.076596|0.090381|0.088739|0.174381|0.213158|0.500000| |2.385944|1.692839|2.089319|1.844387|1.792786|1.907793|2.117079|2.253381|3.481870|2.682154|4.369882|3.101522|0.081851|2.946746|3.641881|6.138069|5.493486|4.494123|6.515388|6.773715|0.234736|6.758983|8.800177|17.558310|8.869187|5.496769|4.843732|5.498343|8.294894|4.329734|3.403972|5.043997|5.875274|2.181647|2.754882|0.045336|0.051496|0.041751|0.046175|0.050925|0.064555|0.056860|0.076256|0.074877|0.073743|0.095382|0.104787|0.114884|0.166619|0.138802|0.215718|0.500000| |2.196462|1.578650|1.971334|1.716455|1.698577|1.812466|1.972263|2.110138|3.310503|2.601869|4.243439|3.128345|0.083974|3.116384|4.016573|6.176624|5.331390|4.170149|6.128477|5.566591|0.177814|6.883098|8.835581|17.472703|8.841945|6.752883|5.650118|6.790888|6.095244|3.527724|2.869333|4.427367|4.902418|1.983649|2.512020|0.041874|0.046763|0.039688|0.044255|0.049158|0.059288|0.054113|0.072083|0.077436|0.079937|0.106092|0.124092|0.110108|0.206156|0.141413|0.174423|0.303047|0.500000| |2.185253|1.529425|1.907475|1.619978|1.560142|1.618480|1.754363|1.809102|2.715728|2.035429|3.353863|2.278427|0.062155|2.178922|2.539459|3.925493|3.718853|3.049513|4.859325|4.020552|0.116802|4.483346|6.750316|8.858711|17.497908|8.861117|6.802165|5.677408|5.625708|3.495492|2.777715|4.364937|4.649449|1.828031|2.383989|0.042177|0.046811|0.037836|0.040718|0.043164|0.051349|0.046209|0.059411|0.056124|0.056608|0.067660|0.074181|0.075102|0.111027|0.107664|0.201977|0.216454|0.173744|0.500000| |1.984749|1.407372|1.766397|1.500707|1.463839|1.534935|1.662356|1.745681|2.629583|2.019208|3.374813|2.281947|0.061367|2.261270|2.713811|4.110420|3.702163|2.891173|4.510430|3.673439|0.113048|4.043591|5.473175|8.827415|17.528961|8.814463|5.496905|4.848262|4.763325|2.912038|2.419520|3.806933|4.161185|1.704379|2.197889|0.038314|0.042374|0.035314|0.038311|0.041360|0.049646|0.045069|0.056620|0.058536|0.058716|0.074393|0.079477|0.079055|0.108743|0.094797|0.140400|0.213643|0.215044|0.303534|0.500000| |1.896670|1.340875|1.698340|1.406787|1.373242|1.417951|1.504584|1.547565|2.321877|1.750998|2.906921|1.972340|0.054698|1.940568|2.241906|3.257225|3.077972|2.449498|4.007750|2.969492|0.084325|3.506514|4.802170|5.479050|8.814019|17.529963|8.811594|5.488469|3.920458|2.598411|2.160214|3.534760|3.611175|1.541083|2.026449|0.036911|0.040027|0.033873|0.036358|0.038311|0.043309|0.040182|0.050386|0.049895|0.051820|0.060549|0.067185|0.061852|0.094083|0.088972|0.127438|0.123457|0.138889|0.214957|0.211580|0.500000| |1.921384|1.373442|1.739523|1.457349|1.438980|1.502592|1.595039|1.662519|2.537342|1.945676|3.217795|2.250428|0.062384|2.255470|2.683380|3.825807|3.530633|2.769777|4.441355|3.348455|0.096354|4.150770|5.618523|6.760577|8.852904|17.491148|8.855568|6.785518|4.142097|2.680321|2.230682|3.619720|3.746362|1.611019|2.094506|0.037162|0.040462|0.034918|0.038083|0.040898|0.046285|0.043259|0.055006|0.057189|0.060425|0.072513|0.082715|0.071086|0.118356|0.101917|0.131683|0.139295|0.198484|0.173815|0.214668|0.303296|0.500000| |2.240450|1.567791|1.970570|1.638287|1.585000|1.620443|1.715167|1.731534|2.618433|1.928184|3.129880|2.179764|0.061812|2.062546|2.330775|3.450582|3.429285|2.884563|4.852884|3.581185|0.094692|4.515424|6.743268|5.666103|6.801286|8.857481|17.496807|8.853019|4.904400|3.409037|2.683889|4.437671|4.298478|1.775296|2.360319|0.043421|0.047219|0.039024|0.041871|0.043382|0.048005|0.044388|0.058150|0.052281|0.055107|0.060788|0.070248|0.064417|0.111684|0.121643|0.201657|0.127079|0.131001|0.200381|0.139529|0.214796|0.173807|0.500000| |2.052744|1.456596|1.849418|1.524429|1.497484|1.537560|1.608824|1.635793|2.489642|1.856362|3.025475|2.126849|0.060828|2.061377|2.337763|3.328719|3.267331|2.670396|4.501637|3.157062|0.084382|4.081523|5.466295|4.835142|5.496186|8.810629|17.529666|8.825522|4.071764|2.830756|2.319583|3.885473|3.764791|1.635948|2.167725|0.039851|0.042864|0.036914|0.039900|0.041670|0.044961|0.042403|0.054866|0.051948|0.056068|0.061363|0.072104|0.061590|0.109743|0.111179|0.140200|0.106647|0.126469|0.139528|0.123197|0.211386|0.214709|0.303424|0.500000| |2.250112|1.619204|2.039206|1.736247|1.728822|1.813065|1.914612|1.987256|3.134381|2.385251|3.810500|2.882804|0.083023|2.798910|3.312461|4.692799|4.561863|3.768680|6.104554|4.538060|0.119477|6.991213|8.832058|6.803372|5.682317|6.794920|8.860636|17.477395|5.197339|3.433099|2.761821|4.496648|4.489079|1.914281|2.481288|0.043048|0.047117|0.041026|0.045698|0.049424|0.054232|0.051190|0.069760|0.068113|0.075809|0.084163|0.107868|0.082621|0.210357|0.178414|0.174195|0.139389|0.200003|0.131466|0.127128|0.139450|0.200149|0.173815|0.215144|0.500000| |2.506933|1.781172|2.231518|1.890143|1.857431|1.915179|2.012091|2.033657|3.181322|2.337064|3.688162|2.750611|0.080862|2.548563|2.866021|4.179478|4.322993|3.789101|6.508500|4.577143|0.111849|6.987926|8.810349|5.499918|4.845194|5.493139|8.829229|17.519471|5.705262|4.076277|3.142573|5.232076|4.895465|2.045030|2.697622|0.047942|0.052382|0.044494|0.049087|0.051579|0.055208|0.051844|0.072279|0.062534|0.068917|0.071867|0.089789|0.074846|0.171646|0.217278|0.214834|0.123217|0.139432|0.126912|0.106710|0.123233|0.139487|0.214847|0.212802|0.303399|0.500000| |3.355597|2.342274|2.774107|2.641417|2.475102|2.655713|3.135028|3.278345|5.014096|3.567531|5.565753|3.798872|0.099354|3.158947|3.464398|6.307960|7.017778|6.695999|10.081916|9.388030|0.238875|5.707706|4.972621|4.612570|3.631660|2.978891|3.069014|3.594764|25.942438|9.481002|7.580545|8.906840|14.060864|3.436968|4.204758|0.061866|0.075106|0.054799|0.061321|0.067909|0.096844|0.077667|0.114834|0.081572|0.076816|0.085895|0.092781|0.124670|0.128230|0.140827|0.151841|0.155317|0.111685|0.105143|0.091783|0.073426|0.076791|0.087171|0.073390|0.090650|0.096098|0.500000| |3.909231|2.604721|3.062152|2.800463|2.535812|2.568307|2.878077|2.764882|4.114321|2.781212|4.333232|2.942982|0.082890|2.478637|2.616830|4.262115|4.829318|4.639522|8.541793|5.678124|0.129535|4.962639|4.733782|3.845403|3.324580|2.928403|3.268766|3.757055|12.481223|17.506256|9.102609|12.748678|11.406460|3.256342|4.358053|0.072424|0.087035|0.059051|0.063692|0.064830|0.077955|0.066525|0.096823|0.063540|0.063456|0.065309|0.073389|0.081919|0.108053|0.145016|0.164725|0.113806|0.091314|0.100899|0.080760|0.073611|0.073222|0.098818|0.079016|0.089633|0.108965|0.210960|0.500000| |3.928108|2.718552|3.210855|2.998887|2.809804|2.891894|3.194059|3.084193|4.862091|3.254779|4.876987|3.604939|0.106065|2.924059|3.053655|4.924250|5.935958|6.321479|12.942714|7.171120|0.144091|6.694038|5.370208|3.990429|3.271812|2.989688|3.454165|4.332605|12.362149|17.676993|8.985518|13.472797|10.747286|3.453816|4.533779|0.071775|0.084942|0.062830|0.070746|0.073751|0.083785|0.073761|0.120219|0.072669|0.075396|0.073739|0.087566|0.090648|0.139756|0.229699|0.170014|0.112728|0.098410|0.093962|0.078767|0.073314|0.076709|0.099911|0.084536|0.105126|0.132060|0.182873|0.304071|0.500000| |7.580590|4.897845|5.089435|5.717702|4.507470|4.296676|4.941784|4.004004|5.466552|3.253005|4.992872|3.090801|0.089065|2.480917|2.392221|3.738224|4.528808|4.014842|8.626286|3.707660|0.088971|3.190810|2.780412|2.427518|2.132642|1.966886|2.139856|2.436887|5.982752|5.964954|10.161142|35.473428|14.687193|6.659952|10.210995|0.123534|0.182445|0.095288|0.104627|0.098525|0.108662|0.091848|0.132229|0.065093|0.064215|0.059406|0.065074|0.073971|0.078467|0.096094|0.083319|0.070949|0.062801|0.061455|0.054523|0.050445|0.051688|0.061699|0.054796|0.062973|0.071571|0.121567|0.151080|0.154562|0.500000| 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