Version2.1 2020-12-15T13:21:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 25-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1(CCCCC1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H]4c5ccccc5CCO4 C39669020 RHF 6-31G(d) (6D,7F) CC1(CCCCC1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H]4c5ccccc5CCO4 C01[X(C27H40N3O3)] 213 C1 575 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)C1(C)CCCCC1)NC[C@H]1OCCc2c1cccc2 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)C1(C)CCCCC1)NC[C@H]1OCCc2c1cccc2 CC1(CCCCC1)C(=O)N2C[C@H](C(=O)NC[C@H]3OCCc4ccccc34)C5(CC[NH2+]CC5)C2 InChIKey=DBDYGNPTHBXVRY-DHIUTWEWSA-O InChI=1S/C27H39N3O3/c1-26(10-5-2-6-11-26)25(32)30-18-22(27(19-30)12-14-28-15-13-27)24(31)29-17-23-21-8-4-3-7-20(21)9-16-33-23/h3-4,7-8,22-23,28H,2,5-6,9-19H2,1H3,(H,29,31)/p+1/t22-,23-/m1/s1 InChI=1/C27H39N3O3/c1-26(10-5-2-6-11-26)25(32)30-18-22(27(19-30)12-14-28-15-13-27)24(31)29-17-23-21-8-4-3-7-20(21)9-16-33-23/h3-4,7-8,22-23,28H,2,5-6,9-19H2,1H3,(H,29,31)/p+1/t22-,23-/m1/s1/fC27H40N3O3/h28-29H/q+1 CC1(CCCCC1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H]4c5ccccc5CCO4 C01[X(C27H40N3O3)] 213 C01 575 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)C1(C)CCCCC1)NC[C@H]1OCCc2c1cccc2 O=C(C1(C)CCCCC1)N1C[C@@H](C2(C1)CC[NH2]CC2)[C]([NH]C[C@H]1OCC[C]2[C]1[CH][CH][CH][CH]2)=O CC1(CCCCC1)C(=O)N2C[C@H](C(=O)NC[C@H]3OCC[C]4[CH][CH][CH][CH][C]34)C5(CC[NH2]CC5)C2 InChIKey=GTXFORZNXGTXQS-DHIUTWEWSA-N InChI=1S/C27H40N3O3/c1-26(10-5-2-6-11-26)25(32)30-18-22(27(19-30)12-14-28-15-13-27)24(31)29-17-23-21-8-4-3-7-20(21)9-16-33-23/h3-4,7-8,22-23H,2,5-6,9-19,28H2,1H3,(H,29,31)/t22-,23-/m1/s1 InChI=1/C27H40N3O3/c1-26(10-5-2-6-11-26)25(32)30-18-22(27(19-30)12-14-28-15-13-27)24(31)29-17-23-21-8-4-3-7-20(21)9-16-33-23/h3-4,7-8,22-23H,2,5-6,9-19,28H2,1H3,(H,29,31)/t22-,23-/m1/s1/f/h29H 3543.9143634778 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12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 1.00783 1.00783 1.00783 1.00783 1.00783 8205.6124 33445.0550 36951.5518 0.99998 0.00608 -0.00158 -0.00607 0.99998 0.00060 0.00159 -0.00059 1.00000 1 0.01056 0.00259 0.00234 0.21994 0.05396 0.04884 11.07 19.93 28.22 56.98 58.44 64.92 76.18 84.17 101.39 147.00 168.52 183.95 213.65 242.12 245.11 284.18 290.64 332.53 352.24 357.52 368.94 381.42 408.26 420.13 451.43 466.34 488.83 495.54 506.10 526.01 545.46 567.77 612.27 624.69 638.93 665.84 677.32 681.39 695.33 725.77 727.41 750.82 754.94 771.50 820.44 850.84 856.60 865.56 929.49 942.06 964.47 998.98 1024.12 1074.56 1139.05 1160.95 1183.21 1207.90 1211.65 1222.73 1227.15 1236.87 1241.72 1251.07 1264.80 1286.94 1319.85 1342.70 1359.13 1366.57 1381.15 1384.80 1409.29 1421.61 1449.41 1468.26 1501.95 1504.55 1518.01 1527.91 1536.54 1551.12 1553.29 1562.16 1586.89 1593.10 1600.91 1620.18 1621.60 1631.01 1643.50 1651.50 1666.83 1672.66 1679.02 1694.98 1713.41 1739.22 1739.66 1748.68 1761.59 1769.77 1780.86 1790.08 1826.22 1832.33 1840.06 1875.48 1891.39 1896.31 1901.20 1904.34 1914.69 1934.50 1948.47 1948.76 1959.68 1980.14 1986.13 2009.56 2027.30 2032.24 2049.06 2071.62 2072.02 2079.59 2083.83 2087.75 2094.11 2116.78 2141.03 2144.23 2162.86 2165.23 2175.92 2183.25 2197.90 2199.31 2201.15 2207.23 2219.85 2221.37 2227.92 2237.47 2244.93 2254.31 2258.19 2264.95 2277.67 2325.41 2334.72 2337.77 2346.27 2354.27 2355.88 2361.05 2362.93 2364.75 2366.20 2371.96 2378.74 2384.32 2392.78 2394.95 2403.82 2407.73 2417.70 2472.71 2563.03 2609.31 2628.58 2717.84 2770.97 4561.46 4593.75 4597.41 4601.37 4608.47 4608.69 4615.81 4619.02 4620.44 4625.37 4629.43 4640.69 4660.72 4663.96 4670.22 4679.09 4680.40 4685.09 4694.33 4699.54 4716.44 4720.77 4728.07 4732.06 4738.81 4739.84 4747.47 4800.46 4801.64 4820.26 4825.62 4829.94 4839.94 4858.14 4866.93 4868.74 4880.60 5277.29 5369.74 5585.58 0.702037 0.730331 0.731275 0.639340 -1432.813441 -1432.785148 -1432.784204 -1432.876139 3.083515D-04 MUNgauss RevisionA2.0 retrievium 15-Dec-2020 DUDE CC1(CCCCC1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H]4c5ccccc5CCO4 C39669020 RHF 6-31G(d) (6D,10F) C1 454.306967 |X|Y|Z| 58.778605 39.086319 130.876039 66.993818 30 6 7 8 26 3 1 |36.858105| |12.340227|36.858105| |7.490488|12.337683|36.858105| |4.854247|7.405421|12.428772|36.858105| |4.335413|6.306653|7.534966|12.450064|36.858105| |4.886516|7.392952|6.485190|7.548669|12.451613|36.858105| 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|2.055870|1.955215|2.003344|1.832280|1.608653|1.578447|1.687872|2.030484|3.324624|3.102121|2.712481|3.106604|0.087371|2.630180|2.255670|2.520652|2.148437|2.918155|0.053790|0.063452|2.204151|2.606848|3.927300|6.656651|6.819741|7.525178|12.522222|0.246875|36.858105| |2.081835|1.937386|1.970416|1.778200|1.573524|1.551848|1.678331|1.981815|3.253635|2.966855|2.572317|2.863334|0.078007|2.463719|2.126026|2.443008|2.091328|2.795226|0.051800|0.060911|2.061038|2.391713|3.643923|6.590683|5.846360|6.228523|7.546640|0.185922|13.675145|36.858105| |1.839682|1.713862|1.738582|1.582937|1.419645|1.402170|1.509799|1.742202|2.891345|2.568285|2.172241|2.376264|0.064927|2.104892|1.847464|2.107375|1.849635|2.486289|0.046674|0.054143|1.822033|2.064022|2.898068|5.276328|4.491716|4.370126|5.010841|0.127770|7.895423|13.797711|36.858105| |1.650277|1.560177|1.587588|1.467003|1.321796|1.302328|1.387072|1.594209|2.661072|2.353820|1.967339|2.158374|0.060007|1.933672|1.712096|1.911537|1.702034|2.320908|0.043851|0.050443|1.718542|1.931896|2.556750|4.537417|4.003925|3.749142|4.426203|0.110951|6.845853|7.959799|13.730547|36.858105| |1.637055|1.569126|1.604704|1.496875|1.342310|1.317623|1.392154|1.618412|2.697779|2.418225|2.027052|2.255001|0.063908|2.008700|1.776003|1.945776|1.730206|2.386127|0.044970|0.051769|1.796021|2.036844|2.646734|4.555962|4.273543|3.978605|5.010052|0.120811|7.937921|6.914989|7.959143|13.798512|36.858105| |1.800456|1.735316|1.781741|1.659129|1.470442|1.439744|1.521056|1.805329|2.985397|2.742825|2.340945|2.659150|0.076309|2.314138|2.020018|2.200819|1.923442|2.655893|0.049514|0.057601|2.024674|2.351110|3.178258|5.321913|5.388664|5.222462|7.529929|0.166012|13.695504|7.923068|6.837274|7.892588|13.689186|36.858105| |1.731766|1.701654|1.757272|1.664012|1.471972|1.434585|1.496499|1.788407|2.961841|2.746643|2.328577|2.670148|0.079138|2.330364|2.052118|2.156311|1.898425|2.659754|0.049659|0.057259|2.076048|2.421744|3.066754|4.954014|5.265477|4.643413|6.521161|0.148040|7.570945|5.021885|4.430986|5.011224|7.539445|12.586005|36.858105| |1.909604|1.899782|1.988089|1.888340|1.643476|1.587718|1.649892|2.006753|3.280065|3.145798|2.728655|3.160789|0.096738|2.656091|2.342535|2.379758|2.056998|2.862637|0.052940|0.060916|2.278127|2.736171|3.593325|5.578342|6.368173|5.248707|8.029148|0.190984|6.867355|4.599814|3.801796|3.922051|5.068147|7.682802|12.557016|36.858105| |2.169600|2.144564|2.219237|2.074780|1.788424|1.742719|1.830753|2.299136|3.733430|3.672820|3.272305|3.998436|0.122489|3.245647|2.750751|2.875341|2.414654|3.352020|0.060895|0.071900|2.672367|3.333062|4.822419|7.150150|9.664538|8.189893|13.554733|0.259989|7.810705|5.114232|3.928136|3.788453|4.568070|6.851551|7.993844|13.545364|73.516695| |17.562414|8.619534|6.710223|4.426859|3.755872|4.004103|5.473519|6.803908|9.384664|8.048140|6.338112|4.688844|0.105946|4.258324|4.301323|4.697236|3.730253|4.024518|0.073696|0.078940|2.816625|3.182344|4.543174|9.594063|4.729933|3.050371|2.678663|0.080023|2.322691|2.361539|2.054645|1.821304|1.803164|1.999597|1.906345|2.113443|4.332691|0.500000| |17.559525|8.753085|5.461168|4.025960|3.803884|4.534204|6.966917|7.092231|11.583313|7.020580|4.628846|3.751694|0.087486|3.838268|4.051742|4.501179|3.979242|4.133421|0.077726|0.079429|2.790133|2.964656|3.522440|7.134500|3.843923|2.516086|2.214061|0.064433|1.965497|1.998554|1.779318|1.599110|1.581594|1.729353|1.660726|1.811241|3.659431|0.301146|0.500000| |17.574606|8.808814|6.900721|4.581007|4.254145|4.620302|7.019947|5.545421|8.320314|6.018756|4.324684|3.364400|0.081116|3.191350|3.395056|3.444761|3.008289|3.339643|0.063121|0.065114|2.341978|2.540163|3.217296|6.433800|3.601686|2.397839|2.182478|0.065024|1.948033|1.991358|1.777633|1.594786|1.572374|1.714166|1.641833|1.799045|3.583693|0.302989|0.301992|0.500000| |6.762147|8.681860|17.614673|8.809630|5.494216|4.819791|5.504538|6.565421|8.291431|9.121701|7.628804|4.731950|0.118515|3.942582|4.487592|3.624590|2.987515|3.474766|0.064203|0.067116|2.631778|3.049106|4.061016|7.274421|4.510086|2.818571|2.646397|0.081523|2.244434|2.195142|1.910004|1.733983|1.758161|1.973082|1.942915|2.228539|4.468257|0.197188|0.138414|0.169111|0.500000| |7.113022|8.964183|17.522881|8.894160|6.908669|5.819772|7.063238|5.444913|7.591910|6.424735|4.683127|3.398570|0.086303|3.073993|3.485497|2.992579|2.610625|3.034110|0.057360|0.058614|2.244439|2.482822|3.065816|5.673844|3.528990|2.301541|2.177682|0.066147|1.914017|1.905928|1.696427|1.546008|1.550621|1.705728|1.669239|1.869871|3.669121|0.172993|0.144229|0.216390|0.306785|0.500000| |4.433888|6.665515|8.814167|17.508103|8.841290|6.746116|5.654548|6.561093|9.102913|9.017105|5.523724|3.996963|0.108297|3.745495|4.950207|3.257261|2.898127|3.471400|0.065478|0.064994|2.737117|3.046857|3.180431|5.381464|3.727684|2.314097|2.190992|0.065224|1.879993|1.802964|1.598225|1.487734|1.529833|1.707060|1.729246|1.977480|3.885876|0.115669|0.105860|0.111095|0.210746|0.173786|0.500000| |4.063868|5.445873|8.858482|17.540677|8.818349|5.497774|4.864431|4.571497|6.627399|6.138296|4.376729|3.286719|0.089611|2.960902|3.534683|2.673457|2.377124|2.884124|0.054780|0.055219|2.234098|2.483675|2.813309|4.864927|3.373986|2.162997|2.102857|0.063720|1.830063|1.770871|1.579758|1.469234|1.502694|1.664740|1.675457|1.910051|3.684926|0.107153|0.094571|0.110460|0.215757|0.214834|0.303740|0.500000| |3.506382|4.764358|5.490122|8.818365|17.543484|8.811098|5.484166|4.249511|6.913165|5.177563|3.292306|2.665744|0.072275|2.619568|3.226539|2.434675|2.299317|2.794406|0.054411|0.052625|2.143859|2.260382|2.283791|3.983152|2.766080|1.793288|1.717798|0.050623|1.524273|1.482277|1.343296|1.259994|1.285344|1.405887|1.418462|1.583223|3.037205|0.087022|0.088043|0.095163|0.123175|0.140767|0.215439|0.210745|0.500000| |4.170388|5.540126|6.776023|8.867684|17.505765|8.853643|6.745896|4.249483|6.718496|4.966795|3.292290|2.613117|0.069203|2.516798|2.975776|2.416973|2.247936|2.685480|0.052073|0.051181|2.011760|2.137711|2.309931|4.139292|2.768912|1.819295|1.741090|0.051754|1.555121|1.533129|1.390558|1.292898|1.306073|1.422259|1.415479|1.571105|3.019692|0.100107|0.101109|0.120602|0.140456|0.203521|0.173890|0.216224|0.303536|0.500000| |4.453701|6.638910|5.637343|6.728934|8.833130|17.531130|8.839563|6.762456|12.382175|6.968864|3.856455|3.119421|0.081343|3.297081|4.328442|3.152901|3.070274|3.568850|0.069670|0.065365|2.682014|2.748241|2.598969|4.579048|3.054508|1.949258|1.805812|0.052406|1.593224|1.554495|1.401646|1.306536|1.328786|1.457205|1.461509|1.621485|3.176190|0.105011|0.118387|0.111753|0.124551|0.132908|0.196034|0.138356|0.215278|0.173713|0.500000| |4.099524|5.441573|4.874100|5.499761|8.824894|17.544885|8.869774|4.689907|8.485510|5.025236|3.061339|2.531000|0.066102|2.611013|3.165375|2.585163|2.531802|2.975656|0.058767|0.055625|2.187939|2.230213|2.213437|3.983272|2.639055|1.728447|1.618101|0.047101|1.451817|1.432963|1.305524|1.216731|1.227937|1.332395|1.326544|1.456005|2.819490|0.094513|0.109811|0.111803|0.106697|0.130491|0.138562|0.123387|0.210431|0.216135|0.304282|0.500000| |7.224791|8.924262|7.009940|5.763206|6.838439|8.879082|17.516930|5.567185|9.055583|5.621991|3.610111|2.854910|0.071849|2.839052|3.273154|2.927698|2.731789|3.101083|0.060013|0.059018|2.221458|2.331754|2.576956|4.830975|2.987951|1.970188|1.826389|0.053802|1.636691|1.641358|1.484830|1.361528|1.358774|1.475631|1.443450|1.583232|3.100169|0.144962|0.178617|0.221510|0.142907|0.214514|0.132322|0.129121|0.139799|0.200478|0.173931|0.215751|0.500000| |6.955012|8.787552|5.534392|4.843050|5.490651|8.823363|17.622602|7.134800|13.906917|6.415094|3.765429|3.065646|0.076034|3.251712|3.856853|3.460155|3.367056|3.685974|0.071836|0.068602|2.588638|2.640877|2.703803|5.046563|3.102427|2.019738|1.834401|0.053167|1.637214|1.633519|1.475457|1.356131|1.357810|1.478028|1.451000|1.586754|3.136638|0.141008|0.209705|0.172688|0.122735|0.143606|0.126000|0.106888|0.123194|0.139337|0.214034|0.213922|0.303237|0.500000| |6.663145|6.546373|6.416609|4.705722|3.616878|3.626000|4.277462|7.022992|9.012403|12.270462|17.727043|8.774282|0.178222|6.184556|5.985968|5.687422|4.044088|4.543001|0.080276|0.088964|3.394559|4.223149|7.426736|13.694411|6.859390|3.963209|3.427579|0.104139|2.779261|2.705775|2.276757|2.028842|2.058785|2.359683|2.292746|2.646009|5.624576|0.251253|0.151290|0.145539|0.235525|0.144323|0.135298|0.116962|0.087208|0.091989|0.101178|0.084184|0.107289|0.108440|0.500000| |4.601515|5.363131|6.220610|5.439151|3.862313|3.617058|3.841461|5.994618|7.945682|12.265310|17.608507|8.764303|0.230575|5.803771|6.391931|4.510795|3.477956|4.184645|0.074824|0.080847|3.362075|4.284273|6.082677|9.305467|6.532162|3.665747|3.382864|0.103788|2.692521|2.521197|2.134662|1.949957|2.025557|2.347489|2.366762|2.827633|5.912118|0.145133|0.108586|0.109278|0.235735|0.134004|0.172363|0.141163|0.096486|0.095148|0.103727|0.083306|0.095541|0.095038|0.301745|0.500000| |3.522256|4.216012|3.983348|4.047245|3.386615|3.512175|3.483226|5.977585|9.703924|12.465072|6.960343|7.235138|0.210141|8.836825|17.508929|5.485235|4.744521|6.034703|0.106555|0.106886|5.627398|7.041255|4.600514|6.941969|5.354298|3.028981|2.697446|0.076183|2.228670|2.068502|1.801611|1.687520|1.769505|2.021550|2.091558|2.418767|4.996121|0.100934|0.093651|0.082877|0.116396|0.090241|0.140550|0.099427|0.090064|0.080186|0.112808|0.082934|0.082247|0.093244|0.141377|0.176436|0.500000| |3.978608|4.738828|3.946830|3.846184|3.450045|3.926070|4.044001|7.678102|15.418640|12.475891|5.797166|5.696269|0.142032|8.542232|17.734436|6.854308|6.769843|7.536186|0.134368|0.123765|6.229277|6.334158|4.094369|6.717952|4.624907|2.735933|2.383669|0.066799|2.026925|1.929709|1.700190|1.582193|1.632895|1.833706|1.858130|2.084524|4.279242|0.109386|0.112233|0.090867|0.108688|0.090594|0.126678|0.090840|0.089801|0.081724|0.130447|0.093126|0.092054|0.115001|0.132814|0.134258|0.302403|0.500000| |5.531943|5.076409|3.982847|3.321883|2.934345|3.282783|3.925307|6.836239|11.678608|9.766531|6.550584|6.751405|0.137773|8.720468|6.931660|17.648898|9.012775|7.637431|0.127113|0.144481|4.864421|5.513167|6.017700|11.855719|5.908254|3.546912|2.865736|0.080194|2.435595|2.402060|2.076941|1.867753|1.881718|2.113316|2.048853|2.259634|4.795860|0.172720|0.167090|0.118038|0.115647|0.095974|0.097927|0.080726|0.072907|0.074262|0.096412|0.079499|0.095042|0.113813|0.189183|0.132670|0.139800|0.178714|0.500000| |3.803759|3.538623|3.059269|2.667670|2.367902|2.558090|2.903765|4.364437|7.574189|6.750240|5.151563|6.730783|0.142980|8.772221|5.478936|17.575243|8.911649|9.458254|0.144744|0.207548|5.725627|6.862860|7.182303|13.507148|7.385616|4.408571|3.310782|0.088592|2.794200|2.727184|2.330996|2.093393|2.120454|2.405452|2.321353|2.531861|5.533315|0.120049|0.111009|0.088298|0.091015|0.075837|0.078964|0.067337|0.060439|0.060735|0.075001|0.063546|0.072824|0.083110|0.143126|0.112599|0.123085|0.138354|0.306990|0.500000| |3.709137|3.853688|3.100800|2.871365|2.702833|3.145509|3.458053|5.341336|11.862542|7.196801|4.192258|4.451331|0.106889|6.692705|6.692623|8.736640|17.653958|12.340907|0.223321|0.180714|6.856174|5.679488|3.759991|6.621050|4.293580|2.662730|2.251682|0.061778|1.966936|1.911594|1.701679|1.574876|1.603573|1.775937|1.765626|1.921665|3.952032|0.102455|0.114441|0.085623|0.085199|0.075606|0.087291|0.069723|0.069879|0.067217|0.098293|0.078747|0.082021|0.105619|0.108675|0.096501|0.141867|0.240218|0.212661|0.173161|0.500000| |3.493745|3.317935|2.722631|2.448809|2.303468|2.620546|2.966939|4.133171|8.331964|5.568918|3.651786|4.015970|0.095060|5.453573|4.634692|8.787475|17.627892|12.365873|0.222236|0.225903|5.569929|4.882653|3.804095|7.096107|4.381237|2.824442|2.325066|0.062919|2.065762|2.043911|1.825182|1.673121|1.682972|1.849862|1.804286|1.926395|3.986884|0.099802|0.110554|0.082246|0.076132|0.068502|0.072090|0.060797|0.059251|0.058971|0.078214|0.066811|0.073441|0.090419|0.100534|0.084452|0.104627|0.140304|0.213457|0.216349|0.301436|0.500000| |2.729693|2.954130|2.631670|2.588108|2.388281|2.610740|2.660490|3.879746|7.524513|6.048793|3.788001|4.452092|0.120597|6.704274|6.614731|5.705950|6.896503|12.443135|0.225329|0.181300|17.631270|8.747473|3.596355|5.759642|4.457524|2.699069|2.329912|0.062785|2.009829|1.887291|1.679172|1.587839|1.656401|1.856136|1.908953|2.102265|4.308633|0.077334|0.078332|0.065689|0.074374|0.064050|0.081533|0.064975|0.064209|0.059061|0.082435|0.065738|0.064586|0.076573|0.091763|0.093183|0.175133|0.210953|0.127218|0.132399|0.204984|0.142385|0.500000| |2.347207|2.445366|2.235752|2.173077|1.998665|2.135500|2.198967|3.024768|5.634498|4.703453|3.233756|4.016355|0.111643|5.455995|4.592775|4.898897|5.560821|12.366875|0.222778|0.224922|17.623641|8.751162|3.538882|5.609958|4.672356|2.893988|2.469579|0.064673|2.147722|1.995849|1.780298|1.697967|1.785380|2.004208|2.075338|2.251060|4.638798|0.067904|0.067094|0.057531|0.064297|0.055539|0.066952|0.055862|0.053805|0.050453|0.065390|0.054453|0.054827|0.062841|0.080565|0.080951|0.125388|0.130010|0.107580|0.129027|0.141669|0.126491|0.301358|0.500000| |2.762227|2.804694|2.610447|2.442535|2.151645|2.246346|2.381118|3.452153|5.967629|5.789433|4.468106|6.778575|0.184690|8.792707|5.453741|6.832681|5.654721|9.326889|0.143379|0.203196|8.872893|17.523062|6.212670|8.803275|8.367876|4.584106|3.588081|0.091987|2.926398|2.658235|2.273524|2.124790|2.250261|2.622741|2.690410|3.012272|6.707849|0.083972|0.076973|0.066787|0.078332|0.064264|0.074890|0.063233|0.056784|0.054598|0.067265|0.056118|0.059774|0.066477|0.109967|0.108044|0.144097|0.132049|0.139881|0.201525|0.131158|0.127712|0.172977|0.215344|0.500000| |2.726167|2.931922|2.785751|2.719724|2.372807|2.450519|2.505765|3.709926|6.378189|6.536918|4.758998|6.751468|0.216847|8.764472|6.901321|5.511689|4.862059|7.615090|0.127083|0.143103|8.997225|17.561611|5.048133|7.142160|6.645437|3.657241|3.137199|0.083575|2.560362|2.308759|1.998464|1.893129|2.021456|2.346288|2.476648|2.850893|6.089857|0.080831|0.074628|0.065984|0.083057|0.067230|0.086508|0.070280|0.063605|0.059054|0.075089|0.060672|0.061993|0.069004|0.108846|0.120540|0.215709|0.160601|0.122742|0.139780|0.127454|0.107481|0.214374|0.212130|0.303826|0.500000| |2.738965|2.743610|2.775477|2.556085|2.156170|2.132470|2.262175|3.095750|4.944076|5.281946|4.975996|7.469577|0.243347|5.335260|4.090354|4.292864|3.341601|4.595429|0.079908|0.097597|3.791646|5.377560|9.394987|10.847362|26.054755|9.139576|7.326979|0.183995|4.710510|3.866950|3.051686|2.811147|3.085799|3.939899|4.106892|5.273371|14.712055|0.086929|0.072095|0.068137|0.088616|0.069208|0.076745|0.069040|0.056611|0.055714|0.061689|0.052919|0.058453|0.060639|0.126152|0.133588|0.114991|0.094061|0.107358|0.128970|0.083864|0.082683|0.092957|0.098292|0.174222|0.151325|0.500000| |2.379256|2.259598|2.224288|2.017027|1.768410|1.779189|1.921325|2.461593|4.073064|3.858277|3.369172|4.328546|0.118011|3.746208|2.933399|3.620453|2.976148|4.141228|0.073684|0.093622|3.111613|3.855549|6.070947|9.673178|12.428352|17.574843|8.914612|0.174621|6.990148|5.802001|4.331518|3.835995|4.117245|5.309701|4.752244|4.969132|12.981270|0.075380|0.064472|0.060510|0.068905|0.057532|0.058644|0.054445|0.046320|0.046666|0.050743|0.045094|0.050652|0.052546|0.093932|0.087664|0.078764|0.072341|0.091999|0.119302|0.072556|0.078422|0.075107|0.083810|0.131680|0.100259|0.207810|0.500000| |2.814762|2.581421|2.552862|2.235822|1.936913|1.941970|2.144572|2.735691|4.418277|4.244462|3.881139|4.716237|0.120162|3.828564|3.045552|3.841993|3.025441|3.945686|0.070228|0.087022|2.883169|3.556220|7.528304|14.100421|12.603991|17.688403|8.782671|0.213944|6.734088|6.705136|4.625006|3.742369|3.745361|4.615866|3.914790|4.239245|10.318953|0.092541|0.075099|0.071721|0.080629|0.066561|0.063906|0.060322|0.049965|0.051511|0.054594|0.048902|0.057050|0.058183|0.115307|0.099636|0.079746|0.074442|0.103387|0.126630|0.074215|0.080662|0.071369|0.074987|0.113696|0.091160|0.181221|0.301447|0.500000| 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