Version2.0 2019-11-13T16:50:49Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H]2Cc3cc(ccc3N4[C@@H]2CN(CC4)c5cccc[nH+]5)[N+](=O)[O-] C35544599 RHF 6-31G(d) (6D,7F) CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H]2Cc3cc(ccc3N4[C@@H]2CN(CC4)c5cccc[nH+]5)[N+](=O)[O-] C01[X(C26H32N5O5)] 198 C1 604 CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H]1Cc2cc(ccc2N2[C@@H]1CN(CC2)c1cccc[nH+]1)[N+](=O)[O-] CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H]1Cc2cc(ccc2N2[C@@H]1CN(CC2)c1cccc[nH+]1)[N+](=O)[O-] CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H]2Cc3cc(ccc3N4CCN(C[C@H]24)c5cccc[nH+]5)[N+]([O-])=O InChIKey=HCRQCQRUWXWOTJ-AVCGJXAMSA-O InChI=1S/C26H31N5O5/c1-2-36-26(33)18-6-5-11-29(16-18)25(32)21-15-19-14-20(31(34)35)8-9-22(19)30-13-12-28(17-23(21)30)24-7-3-4-10-27-24/h3-4,7-10,14,18,21,23H,2,5-6,11-13,15-17H2,1H3/p+1/t18-,21-,23+/m0/s1 InChI=1/C26H31N5O5/c1-2-36-26(33)18-6-5-11-29(16-18)25(32)21-15-19-14-20(31(34)35)8-9-22(19)30-13-12-28(17-23(21)30)24-7-3-4-10-27-24/h3-4,7-10,14,18,21,23H,2,5-6,11-13,15-17H2,1H3/p+1/t18-,21-,23+/m0/s1/fC26H32N5O5/h27H/q+1 CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H]2Cc3cc(ccc3N4[C@@H]2CN(CC4)c5cccc[nH+]5)[N+](=O)[O-] C01[X(C26H32N5O5)] 198 C01 604 CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H]1Cc2cc(ccc2N2[C@@H]1CN(CC2)c1cccc[nH+]1)[N+](=O)[O-] CCOC(=O)[C@H]1CCCN(C1)[C@@H]([C@H]1Cc2cc(ccc2N2[C@@H]1CN(CC2)[C@@H]1CCC=CN1)N(O)O)O CCOC(=O)[C@H]1CCCN(C1)[C@H](O)[C@H]2Cc3cc(ccc3N4CCN(C[C@H]24)[C@@H]5CCC=CN5)N(O)O InChIKey=QCRVBTCSYIHLAE-APCXCHCSSA-N InChI=1S/C26H39N5O5/c1-2-36-26(33)18-6-5-11-29(16-18)25(32)21-15-19-14-20(31(34)35)8-9-22(19)30-13-12-28(17-23(21)30)24-7-3-4-10-27-24/h4,8-10,14,18,21,23-25,27,32,34-35H,2-3,5-7,11-13,15-17H2,1H3/t18-,21-,23+,24+,25+/m0/s1 InChI=1/C26H39N5O5/c1-2-36-26(33)18-6-5-11-29(16-18)25(32)21-15-19-14-20(31(34)35)8-9-22(19)30-13-12-28(17-23(21)30)24-7-3-4-10-27-24/h4,8-10,14,18,21,23-25,27,32,34-35H,2-3,5-7,11-13,15-17H2,1H3/t18-,21-,23+,24+,25+/m0/s1 3918.0517439562 -1649.5170457 1-A 23757.1543 131 473 604 |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|A|A| -20.68067 -20.66252 -20.66148 -20.64882 -20.62669 -15.91826 -15.79123 -15.74424 -15.70775 -15.69624 -11.51071 -11.47508 -11.45448 -11.44720 -11.41705 -11.40478 -11.39663 -11.39628 -11.39426 -11.38911 -11.38820 -11.38164 -11.37248 -11.36988 -11.36795 -11.35503 -11.35438 -11.35188 -11.34837 -11.34642 -11.34611 -11.33471 -11.33456 -11.32483 -11.32008 -11.28513 -1.69628 -1.54900 -1.51442 -1.50013 -1.47998 -1.44387 -1.42115 -1.37801 -1.37035 -1.27520 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136.36 156.12 174.82 199.81 219.85 255.02 261.22 282.47 296.01 330.31 359.06 377.91 393.14 411.30 419.17 437.37 470.22 516.86 529.27 549.63 571.37 583.80 597.22 621.13 628.28 647.92 679.89 684.60 717.92 734.17 743.59 781.96 787.88 802.97 811.68 845.25 851.90 872.44 883.11 924.49 964.40 990.51 1017.71 1052.56 1070.65 1122.26 1142.46 1168.19 1176.30 1179.18 1231.60 1234.06 1247.55 1266.40 1279.40 1305.01 1346.50 1351.37 1354.14 1357.66 1379.46 1387.00 1402.49 1416.09 1453.06 1460.52 1481.85 1488.46 1504.28 1520.42 1536.21 1550.97 1556.09 1573.13 1600.65 1604.40 1610.35 1614.52 1629.14 1641.47 1660.44 1661.23 1662.92 1695.89 1740.80 1755.88 1758.22 1775.63 1780.75 1790.46 1800.96 1806.89 1818.94 1836.41 1843.84 1854.19 1866.50 1898.38 1913.27 1917.42 1930.29 1941.01 1953.48 1964.16 1981.53 1997.02 2002.07 2020.64 2037.09 2051.91 2058.00 2063.01 2072.17 2093.07 2105.10 2111.67 2139.27 2163.79 2167.93 2179.43 2203.11 2204.84 2217.30 2218.12 2221.67 2227.06 2248.68 2260.67 2280.82 2287.52 2298.49 2309.34 2343.99 2344.73 2347.92 2350.73 2358.20 2360.66 2362.65 2364.32 2372.14 2373.35 2382.18 2399.30 2403.96 2414.89 2435.46 2486.37 2547.29 2596.85 2606.90 2646.79 2661.72 2689.28 2875.38 4548.35 4598.44 4603.28 4611.79 4617.07 4622.11 4632.30 4636.75 4675.79 4680.81 4694.64 4700.27 4708.24 4718.75 4730.19 4731.33 4735.02 4741.23 4782.23 4812.86 4813.67 4828.05 4842.50 4890.55 4892.87 4907.63 4923.85 4932.43 4948.15 4952.75 4956.95 5165.24 0.617295 0.646655 0.647599 0.553608 -1648.899751 -1648.870391 -1648.869447 -1648.963438 3.152474D-04 MUNgauss RevisionA1.9 retrievium 13-Nov-2019 DUDE CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H]2Cc3cc(ccc3N4[C@@H]2CN(CC4)c5cccc[nH+]5)[N+](=O)[O-] C35544599 RHF 6-31G(d) (6D,10F) C1 494.240301 |X|Y|Z| 123.229198 87.528853 30.170585 68.783277 27 6 7 23 4 |36.858105| |12.591711|36.858105| |8.021962|13.297953|73.516695| |5.273482|8.089895|25.727548|36.858105| |4.598426|7.135551|15.280666|16.008707|73.516695| |4.054683|5.155511|14.413784|12.564921|14.155235|36.858105| |3.989115|4.818575|13.040955|9.053956|11.148782|17.509289|0.500000| |3.868712|4.510608|11.755480|7.521950|9.707697|12.397877|0.246850|36.858105| |3.006246|3.339742|7.847887|4.918502|7.125819|7.576363|0.190570|12.461805|36.858105| |2.587827|2.940161|6.605806|4.410919|6.913016|6.521612|0.159887|7.529047|12.469139|36.858105| |2.661329|3.118691|7.047651|5.025122|8.082594|7.743444|0.194359|6.566795|7.753350|13.010527|53.358707| |3.153636|3.930508|9.232702|7.644680|12.384082|12.456735|0.246623|7.546867|6.545088|7.768510|17.675242|36.858105| |2.344392|2.699686|5.850537|4.007165|6.721829|5.432582|0.152204|4.591915|5.341234|7.617382|19.438680|7.859873|36.858105| |2.327105|2.705620|5.740705|3.953333|6.885308|4.968846|0.143319|3.943003|4.201899|5.274129|11.596583|7.008282|15.554339|73.516695| |2.020163|2.254293|4.754673|3.089041|5.188376|3.964459|0.112368|3.717990|4.610546|6.417024|10.452724|4.962133|12.404483|14.225514|36.858105| |2.041786|2.243505|4.768910|3.026697|4.957430|3.945178|0.113694|3.900659|5.187017|6.911545|9.547365|4.587291|8.776799|10.699857|17.574147|0.500000| |1.844185|2.056355|4.244745|2.751344|4.743240|3.381495|0.091424|3.284396|3.974280|5.654523|8.166419|4.269185|7.535490|10.197046|12.402470|0.245300|36.858105| |1.631768|1.784770|3.621857|2.280634|3.926026|2.720713|0.074853|2.705072|3.251795|4.186968|5.677983|3.216124|4.938698|7.389358|7.636419|0.192354|12.604786|36.858105| |1.524864|1.656198|3.324348|2.071187|3.580539|2.423435|0.065745|2.472263|2.941249|3.679582|4.739100|2.803801|3.819472|5.840872|5.110436|0.138038|7.602274|13.765873|36.858105| |1.385797|1.488242|2.954628|1.812874|3.134290|2.085097|0.057147|2.132489|2.497684|2.967408|3.836653|2.346352|3.067902|4.853786|3.941810|0.109672|5.042233|7.949248|13.818392|36.858105| |1.338219|1.429376|2.830704|1.725092|2.974881|1.977508|0.055080|1.999677|2.327930|2.700860|3.572878|2.199210|2.919166|4.715913|3.781081|0.106051|4.429401|6.828840|7.928349|13.783754|36.858105| |1.408726|1.509414|3.007600|1.840342|3.163308|2.129469|0.060119|2.117727|2.474943|2.885484|3.928111|2.381682|3.337045|5.423243|4.530957|0.125795|5.007040|7.902903|6.904628|8.015181|13.835868|36.858105| |1.556471|1.687051|3.403321|2.115152|3.629929|2.496896|0.070495|2.449229|2.901935|3.525570|4.925395|2.870691|4.402945|6.967160|6.694521|0.175660|7.529369|13.609515|7.921866|6.877443|7.880773|13.625361|36.858105| |1.634908|1.776361|3.599995|2.241800|3.833818|2.659877|0.076952|2.533799|2.967361|3.540163|5.235294|3.053538|4.985119|8.232399|7.618828|0.190978|6.586965|7.808820|5.153663|4.562328|5.153368|7.838720|13.549335|53.358707| |1.844359|2.036872|4.196068|2.672082|4.558735|3.253404|0.095047|2.983354|3.483331|4.293468|6.951146|3.883231|7.643253|12.695895|12.491650|0.246850|7.728850|6.703195|4.508593|3.761359|3.893821|5.066078|7.693457|17.748101|36.858105| |1.811419|2.020153|4.113865|2.649857|4.629068|3.145087|0.090475|2.815582|3.162296|3.902990|6.558584|3.863471|7.221251|13.984172|9.037974|0.175763|7.142947|5.947002|4.195379|3.509106|3.580180|4.492958|6.410747|12.429870|17.522758|0.500000| |1.919403|2.098979|4.331843|2.707172|4.547726|3.275360|0.100616|2.947670|3.369604|3.828085|6.209961|3.683951|6.292704|11.525183|7.451778|0.190083|4.926889|4.478850|3.391780|2.996756|3.170793|4.005960|5.185795|10.875747|12.455089|0.247754|36.858105| |1.740991|1.891335|3.805292|2.349432|4.026565|2.715378|0.082456|2.441337|2.690677|2.988645|4.749460|3.014142|4.506926|8.867308|5.017025|0.127254|3.902443|3.751240|2.962357|2.716555|2.948041|3.722369|4.489237|9.125410|7.853909|0.206319|13.072019|53.358707| |1.553530|1.669716|3.324576|2.030278|3.489148|2.323779|0.069202|2.156932|2.403160|2.668988|4.044066|2.558758|3.688013|6.837268|4.391909|0.115079|3.702755|3.886520|3.105928|2.959761|3.373959|4.457839|5.067147|10.466933|6.647013|0.170345|7.938565|17.664955|36.858105| |1.512202|1.634805|3.259386|2.010788|3.477726|2.316084|0.067360|2.179307|2.463573|2.833770|4.235736|2.615824|3.906291|6.980104|5.044241|0.127613|4.581241|5.211603|3.971634|3.777773|4.439502|6.442572|7.735930|17.747752|7.947431|0.205968|6.764537|10.518972|12.428689|36.858105| |1.750877|1.918044|3.811696|2.367103|4.133450|2.663235|0.080493|2.335171|2.488447|2.750317|4.473994|2.977971|4.177899|8.906231|4.236347|0.104604|3.460080|3.227151|2.623278|2.401507|2.553321|3.097521|3.655918|6.701849|5.925176|0.181722|7.820395|19.273410|7.711878|5.681356|36.858105| |1.594683|1.729760|3.370227|2.061586|3.632900|2.255794|0.067536|2.003114|2.104504|2.285016|3.610154|2.471921|3.202535|6.611952|3.247814|0.082333|2.810672|2.702069|2.276357|2.135740|2.289264|2.721674|3.055339|5.267505|4.223690|0.128104|5.069892|10.669744|6.296930|4.697955|13.475589|36.858105| |1.584501|1.725419|3.314695|2.027121|3.626654|2.164950|0.064333|1.903256|1.956902|2.110722|3.346195|2.366660|2.896761|6.074590|2.826767|0.071509|2.506888|2.374430|2.041327|1.912299|2.016176|2.332944|2.596717|4.270853|3.463368|0.106985|3.945715|7.104299|4.370738|3.627212|7.936964|13.985670|36.858105| |1.719756|1.901020|3.642823|2.257059|4.100699|2.378795|0.070419|2.042294|2.061875|2.231046|3.619736|2.631642|3.121898|6.816727|2.901960|0.072360|2.572632|2.359435|2.030624|1.872066|1.934708|2.210323|2.501082|4.046770|3.427941|0.108323|3.811661|6.261545|3.708585|3.256941|6.807977|7.872010|13.484106|36.858105| |1.907427|2.142509|4.183229|2.650060|4.813024|2.842956|0.084629|2.378455|2.401524|2.637438|4.446838|3.231683|3.961060|9.280348|3.521548|0.085683|3.027189|2.678643|2.260514|2.041318|2.086585|2.399410|2.798385|4.599493|4.156370|0.134875|4.640257|7.215276|3.968293|3.550189|7.993934|6.948725|8.077099|14.128965|36.858105| |1.923823|2.149346|4.293397|2.726878|4.825650|3.057018|0.092290|2.581007|2.690162|3.003555|5.131821|3.516262|4.882338|11.674834|4.466291|0.106576|3.618590|3.183148|2.595728|2.322298|2.396474|2.832903|3.405806|5.941410|5.741521|0.188432|6.913227|11.157963|5.267591|4.551620|14.176914|8.105021|7.064179|8.088359|14.021152|53.358707| |2.066333|2.337822|4.763883|3.094482|5.443352|3.578883|0.108073|2.960155|3.109329|3.560446|6.410943|4.283967|6.552926|17.891849|5.555910|0.127130|4.262932|3.558849|2.845115|2.485008|2.523119|2.979266|3.699149|6.447300|6.918222|0.230517|7.948011|10.219409|4.941362|4.551044|9.300520|5.807920|5.141452|5.882557|9.434487|25.609630|0.500000| |1.297784|1.386186|2.726088|1.659504|2.879812|1.879490|0.051111|1.944844|2.243111|2.602948|3.316186|2.085886|2.568199|4.110592|3.113073|0.087195|3.849973|5.121428|7.794377|13.113492|7.772603|5.138197|4.511438|4.607033|2.939619|0.077691|2.446247|3.063141|2.421351|2.948831|2.033025|1.841421|1.676168|1.648686|1.780068|2.699491|0.058524|53.358707| |1.324232|1.418326|2.786440|1.700514|2.959923|1.919947|0.051579|2.005068|2.303009|2.687862|3.372201|2.137048|2.554015|4.063739|3.015799|0.084093|3.795732|4.683968|7.098165|8.403255|5.424531|4.103143|3.898864|4.136934|2.757801|0.073618|2.302134|2.859884|2.208509|2.637037|1.922525|1.738588|1.599406|1.591664|1.726226|2.594647|0.056622|21.714790|73.516695| |1.208419|1.282235|2.504952|1.512277|2.624959|1.696701|0.046442|1.751478|1.998653|2.265654|2.911446|1.858598|2.255489|3.666816|2.690820|0.075765|3.176535|4.088121|5.436390|8.410749|7.080907|4.686080|3.893565|4.135272|2.613836|0.069248|2.235701|2.852959|2.287292|2.746872|1.898073|1.744361|1.589617|1.550581|1.654795|2.494647|0.053441|21.743094|15.996313|73.516695| |17.575753|8.850080|12.854455|4.895236|7.433505|3.979452|0.114654|3.741186|2.986809|2.553862|3.601243|3.078424|2.362744|4.190043|2.043778|0.057681|1.840310|1.635770|1.519355|1.385294|1.347163|1.426366|1.575074|2.271121|1.883743|0.051131|1.992859|2.463512|1.607510|1.548400|1.818287|1.656902|1.642961|1.777186|1.967747|2.708931|0.059124|1.757993|2.329177|2.143366|0.500000| |17.565406|8.910729|10.199222|4.273952|7.083052|3.359926|0.091561|3.205798|2.579863|2.276457|3.191146|2.746234|2.098357|3.732947|1.827720|0.051055|1.686244|1.503712|1.412732|1.291065|1.248286|1.309648|1.438060|2.050322|1.685927|0.046271|1.749273|2.186548|1.442424|1.404755|1.625064|1.495573|1.496576|1.624314|1.782701|2.422441|0.052619|1.653839|2.204986|2.018751|0.300868|0.500000| |17.577176|8.851642|12.849675|4.904266|7.445230|3.984999|0.106937|4.088705|3.156163|2.653760|3.604470|3.082170|2.304882|3.993020|2.008918|0.056955|1.845625|1.638755|1.541946|1.402104|1.348567|1.412018|1.555528|2.205550|1.815778|0.049197|1.875359|2.300439|1.520375|1.489232|1.681976|1.528791|1.507735|1.622720|1.797857|2.494244|0.054825|1.794784|2.400082|2.181377|0.300739|0.300938|0.500000| |8.806693|17.629310|16.506449|7.274352|12.860480|4.737850|0.116916|4.311269|3.205162|2.878930|4.102052|3.811326|2.592097|4.589481|2.176648|0.059861|2.025245|1.756358|1.644477|1.475522|1.407258|1.475246|1.645394|2.333443|1.954643|0.054148|1.979366|2.433981|1.592336|1.575931|1.813412|1.640353|1.639072|1.805352|2.028081|2.762045|0.061329|1.882382|2.531950|2.270495|0.172912|0.211507|0.211123|0.500000| |8.806297|17.625052|16.508799|7.243160|12.800895|4.727222|0.127122|3.910162|3.028379|2.752735|4.096591|3.803611|2.674370|4.893671|2.220637|0.060692|2.018028|1.752509|1.617129|1.455928|1.405535|1.491391|1.668271|2.410807|2.039465|0.056738|2.117949|2.628238|1.692540|1.645997|1.986553|1.800663|1.816122|2.024366|2.280411|3.060537|0.067492|1.840116|2.449316|2.227753|0.211025|0.211542|0.172920|0.302304|0.500000| |4.448321|4.888660|12.948514|6.825664|8.692941|8.804573|0.215957|17.609611|8.825249|5.494978|6.699515|5.501018|3.779358|5.972772|3.190257|0.094154|2.821033|2.402238|2.215753|1.948750|1.846323|1.950902|2.218358|3.134315|2.659316|0.069538|2.694808|3.088105|2.016658|2.010769|2.172193|1.887523|1.798639|1.918768|2.203815|3.228627|0.074178|2.439005|3.269704|2.899454|0.120805|0.099267|0.135859|0.125615|0.113452|0.500000| |3.742239|4.423072|10.697827|6.951294|9.799003|8.834898|0.174105|17.509654|8.852064|6.744376|7.786910|6.778665|4.091365|6.324703|3.383854|0.096699|3.147635|2.600298|2.428016|2.091541|1.936313|2.020891|2.318815|3.203414|2.727708|0.072658|2.630207|3.021990|1.989079|2.036275|2.141143|1.857653|1.778833|1.912530|2.208925|3.218166|0.074704|2.631796|3.591135|3.087316|0.096702|0.087884|0.111687|0.125082|0.105068|0.303152|0.500000| |2.948722|3.200030|7.476399|4.513000|6.518547|6.773490|0.200764|8.840529|17.522524|8.886690|9.431481|5.699583|5.338880|7.575449|4.748645|0.155589|3.844200|3.227958|2.863681|2.469285|2.353218|2.545548|2.982582|4.262101|3.688782|0.090660|3.739176|3.980861|2.587225|2.597094|2.659309|2.231798|2.052187|2.142825|2.495540|3.864846|0.090918|2.986067|3.935486|3.507431|0.083765|0.070202|0.085083|0.083072|0.081831|0.215539|0.173688|0.500000| |2.805299|3.024830|6.807503|4.073894|6.090376|5.507136|0.140019|8.824000|17.558135|8.899915|7.661150|4.909886|4.265906|6.141003|3.968258|0.125607|3.614851|3.083814|2.888141|2.483626|2.294392|2.391187|2.740634|3.715488|3.078038|0.077701|2.951069|3.279913|2.206224|2.280139|2.221452|1.909149|1.777191|1.854917|2.124184|3.212256|0.074332|3.090409|4.182217|3.601542|0.076850|0.067643|0.083629|0.081960|0.075563|0.209969|0.216024|0.302723|0.500000| |2.292490|2.543570|5.543531|3.565044|5.703476|4.890237|0.128837|5.506221|8.866047|17.698685|12.332791|5.631276|7.207537|8.769328|7.616297|0.259204|6.765554|5.083702|4.396525|3.464690|3.127081|3.352176|4.166866|5.530160|4.787549|0.115529|4.111294|4.287507|2.878388|3.122844|2.812315|2.328743|2.116325|2.196600|2.571863|4.061629|0.097335|4.039974|5.397837|4.534786|0.063446|0.056665|0.065326|0.069009|0.066804|0.123627|0.139187|0.216774|0.213954|0.500000| |2.514550|2.877232|6.304957|4.235875|6.891728|5.739225|0.133124|6.771604|8.831342|17.539785|12.483671|7.044952|6.052737|8.095042|5.257382|0.148400|5.294482|3.966691|3.657574|2.932020|2.604888|2.711187|3.251419|4.307584|3.715071|0.097323|3.253572|3.598412|2.402394|2.584987|2.477233|2.096553|1.961498|2.082156|2.435394|3.687915|0.087844|3.582657|4.953702|4.042974|0.067650|0.062044|0.072088|0.080413|0.074402|0.138894|0.197906|0.173873|0.215618|0.303634|0.500000| |3.044483|3.821677|8.560665|6.971723|12.567367|8.843446|0.173878|6.830060|5.791072|7.060974|12.463130|17.569859|6.159064|9.854311|4.343708|0.111361|4.083342|3.096911|2.779465|2.318201|2.137839|2.272041|2.705379|3.801799|3.429113|0.096292|3.158469|3.618397|2.316963|2.410155|2.639299|2.238187|2.163271|2.400032|2.885427|4.179604|0.101131|2.847170|3.868140|3.299682|0.080415|0.074689|0.083594|0.108017|0.101425|0.139718|0.200553|0.132818|0.129943|0.144010|0.212101|0.500000| |3.038896|3.818918|8.549185|6.964176|12.621467|8.796157|0.213607|5.495275|4.901447|5.661459|12.462885|17.748352|7.673585|15.015136|4.746498|0.117136|4.044295|3.084245|2.659409|2.248027|2.134401|2.335156|2.815907|4.173899|3.972464|0.114187|3.839879|4.374895|2.665418|2.690092|3.287605|2.711581|2.634161|3.012711|3.815253|5.531349|0.140195|2.710950|3.597432|3.176176|0.083229|0.074586|0.080393|0.101758|0.107652|0.123177|0.139415|0.127547|0.107997|0.126867|0.144647|0.303570|0.500000| |1.908541|2.132742|4.425005|2.877531|4.938522|3.565644|0.093455|3.601029|4.454514|6.791818|8.682913|4.509464|6.767353|8.930895|8.747054|0.211496|17.612427|8.932346|7.285039|4.791903|3.999819|4.222353|5.647369|6.676369|5.558317|0.144252|4.046956|4.439316|3.090564|3.658373|2.950678|2.453196|2.229168|2.307781|2.692186|4.246664|0.101147|5.271660|7.125536|5.598031|0.052444|0.048344|0.053540|0.058892|0.057443|0.084438|0.098082|0.114053|0.114701|0.231757|0.189858|0.124707|0.113025|0.500000| |1.810918|2.038560|4.157689|2.725017|4.819024|3.256158|0.087230|3.060815|3.509697|4.822890|7.513512|4.232526|7.070623|10.765120|8.871319|0.173924|17.521074|8.855705|6.276557|4.456246|3.967092|4.430346|6.258991|7.913558|7.003985|0.214760|4.579405|5.221306|3.596474|4.452428|3.563022|2.912140|2.639654|2.751630|3.262135|5.215725|0.125505|4.809226|6.253971|5.260781|0.049994|0.046274|0.049956|0.056077|0.056125|0.073188|0.082657|0.093456|0.088250|0.145646|0.130940|0.114920|0.116126|0.304413|0.500000| |1.554467|1.694822|3.398444|2.126046|3.691231|2.478087|0.066018|2.560962|3.031249|3.845369|4.818521|2.884297|3.721532|5.651786|4.663735|0.125581|7.042361|8.916606|17.768284|8.983846|5.659247|4.972663|5.633902|5.672299|3.923753|0.103869|3.037811|3.610276|2.709762|3.326852|2.401444|2.095545|1.909632|1.925566|2.148459|3.302267|0.074260|9.836903|14.282160|8.870238|0.042710|0.040020|0.043840|0.047130|0.045736|0.063281|0.071175|0.079816|0.083697|0.125645|0.110975|0.081374|0.074976|0.219864|0.168480|0.500000| |1.250305|1.326844|2.608359|1.576270|2.721151|1.786659|0.049859|1.811562|2.084482|2.363664|3.121816|1.959859|2.515084|4.122311|3.136812|0.088611|3.546329|4.934328|5.651583|8.934397|17.784063|8.925526|5.618003|5.682934|3.256831|0.084237|2.772555|3.590936|3.044455|3.841376|2.311056|2.115520|1.875126|1.788053|1.902630|2.936306|0.062304|9.745033|8.811678|14.110847|0.034991|0.032524|0.035025|0.036302|0.036262|0.046921|0.048848|0.058668|0.057485|0.074819|0.063611|0.053061|0.052985|0.091093|0.090355|0.124676|0.500000| |1.356083|1.444409|2.863684|1.738161|2.985097|1.994232|0.056887|1.972439|2.278634|2.589034|3.560280|2.197748|3.018728|5.024155|3.944667|0.110523|4.074409|5.623676|4.974242|5.703474|9.037250|17.776033|8.858661|9.731774|4.627205|0.114613|3.940177|5.224411|4.911652|6.955427|3.153459|2.828021|2.391810|2.219395|2.370786|3.807831|0.079959|5.690662|6.070581|7.198466|0.038325|0.035103|0.037664|0.039054|0.039785|0.051015|0.052023|0.065902|0.061081|0.082106|0.067170|0.057868|0.060379|0.097013|0.102974|0.107963|0.217371|0.500000| |2.133401|2.356165|4.935173|3.113779|5.175555|3.827165|0.121849|3.304199|3.695976|4.112130|7.056862|4.274952|7.171070|14.099053|6.917567|0.176962|4.534389|3.893013|3.049870|2.673937|2.756584|3.332654|4.191919|7.735723|8.676161|0.203556|17.708931|12.407088|5.710133|4.954797|7.309740|4.805298|3.946232|4.009636|5.125284|10.432598|0.270235|3.042170|3.804512|3.628902|0.061907|0.053576|0.057442|0.061016|0.066409|0.083659|0.080277|0.115573|0.087348|0.117313|0.095387|0.097927|0.126654|0.107977|0.119196|0.078170|0.067700|0.090151|0.500000| |1.880894|2.024722|4.181722|2.560221|4.237909|3.105986|0.096041|2.896505|3.391955|3.725889|5.662732|3.355072|5.275441|8.945492|6.525115|0.193358|4.492574|4.322772|3.349870|3.025405|3.256167|4.133379|5.136648|10.269868|8.880800|0.175250|17.609406|12.603453|7.441608|6.225422|5.850218|4.294471|3.397504|3.223626|3.743970|6.912076|0.154090|3.365336|4.103097|4.047919|0.054515|0.047546|0.051456|0.052914|0.056231|0.074718|0.071345|0.107499|0.083911|0.114247|0.087238|0.080636|0.094065|0.105911|0.111235|0.082718|0.079693|0.115324|0.304169|0.500000| |1.460033|1.564512|3.077311|1.869344|3.240974|2.098569|0.062180|1.944471|2.128518|2.339243|3.532130|2.296324|3.143031|5.935697|3.584277|0.093669|3.156358|3.311572|2.746233|2.663913|3.034626|3.858349|4.161270|7.637652|5.006372|0.138126|5.695797|12.295279|17.667913|8.874594|7.268996|7.241679|4.853054|3.862574|3.901857|6.649938|0.121123|3.031993|3.619290|3.790177|0.041953|0.037903|0.039572|0.041523|0.044280|0.050827|0.050207|0.063086|0.054642|0.069117|0.059375|0.058377|0.066949|0.074693|0.087255|0.067397|0.077912|0.119728|0.126825|0.148007|0.500000| |1.541070|1.639582|3.270109|1.973075|3.353925|2.266161|0.067967|2.137349|2.405337|2.617669|3.865485|2.440080|3.425044|6.147788|4.102689|0.113741|3.434478|3.667516|2.992806|2.901790|3.351676|4.404626|4.781857|9.273558|5.715080|0.137427|7.162498|12.530008|17.610118|8.812887|5.868523|5.038620|3.705057|3.195722|3.395954|5.914462|0.116240|3.252566|3.857119|4.048719|0.044492|0.039685|0.042077|0.043295|0.045919|0.056056|0.054457|0.072963|0.061857|0.079183|0.065008|0.061296|0.069513|0.081473|0.089918|0.072520|0.085188|0.139299|0.147577|0.224394|0.302497|0.500000| |1.405468|1.507049|2.983225|1.822066|3.150499|2.078938|0.060145|1.988398|2.246849|2.548016|3.697548|2.312219|3.274657|5.753647|4.154245|0.109704|3.973307|4.792265|3.888062|3.933150|4.944117|7.417512|7.238999|12.363326|5.704057|0.147654|5.074471|7.688030|8.967676|17.684998|4.443918|3.971907|3.167139|2.824343|2.991867|4.970138|0.100618|4.189751|4.779340|5.219905|0.039939|0.036407|0.038598|0.040477|0.042018|0.051383|0.051960|0.065589|0.058714|0.078357|0.065334|0.059917|0.065363|0.091270|0.106158|0.089486|0.122301|0.261485|0.109897|0.139962|0.213855|0.218701|0.500000| |1.488012|1.619787|3.207612|1.993846|3.496649|2.268131|0.065278|2.109313|2.342672|2.719706|4.138169|2.603556|3.829967|7.093167|4.709078|0.113780|4.512256|4.944347|3.841206|3.607238|4.087873|5.503651|6.589871|12.318324|7.097117|0.221307|5.763114|9.273874|8.842874|17.456353|5.833484|4.959298|3.919421|3.539741|3.837225|6.560033|0.131502|3.897017|4.606751|4.725292|0.042130|0.038547|0.040552|0.043580|0.045541|0.053818|0.055272|0.067518|0.060084|0.081680|0.070082|0.067325|0.075503|0.099845|0.130283|0.091066|0.098911|0.156123|0.125919|0.138281|0.218894|0.173579|0.302890|0.500000| |1.491852|1.601593|3.110243|1.882468|3.298449|2.059815|0.061538|1.862603|1.972130|2.125332|3.279247|2.229015|2.862946|5.693623|2.990736|0.077473|2.624180|2.599442|2.213409|2.115420|2.307025|2.753329|3.001888|5.133736|3.868252|0.112984|4.606709|9.637746|6.794257|4.782201|8.847344|17.804981|8.993046|5.615537|4.998969|7.806210|0.126694|2.487487|3.041691|3.108549|0.043101|0.038953|0.039928|0.042254|0.046045|0.049077|0.048081|0.058280|0.050230|0.060810|0.054281|0.056475|0.066708|0.063897|0.074447|0.056199|0.059882|0.081439|0.117015|0.114769|0.250317|0.154926|0.117040|0.135715|0.500000| |1.474021|1.592148|3.026908|1.832424|3.283667|1.935995|0.057224|1.721865|1.764555|1.886908|2.938771|2.091442|2.491315|5.095426|2.452817|0.062894|2.217473|2.132021|1.864073|1.768145|1.870123|2.139168|2.329515|3.741994|2.940252|0.089258|3.286805|5.726536|3.781004|3.190323|5.648342|9.048089|17.732644|8.839476|5.716380|6.876058|0.110719|2.131334|2.654748|2.661424|0.042444|0.038916|0.038996|0.042125|0.046543|0.045517|0.044957|0.051263|0.044928|0.052625|0.049074|0.053677|0.063963|0.055360|0.064599|0.048565|0.048846|0.061390|0.090564|0.081307|0.119754|0.091676|0.079946|0.095199|0.217700|0.500000| |1.682850|1.859813|3.508972|2.162554|3.977193|2.229420|0.065398|1.917188|1.909454|2.049237|3.290771|2.444109|2.762339|5.927946|2.547683|0.064074|2.305215|2.117796|1.853600|1.715985|1.761682|1.981676|2.214963|3.490539|2.910024|0.090926|3.158807|4.975246|3.076958|2.773223|4.923278|5.614235|8.754621|17.782505|9.029043|7.785536|0.128405|2.081673|2.639627|2.564992|0.048172|0.044508|0.043909|0.049232|0.055445|0.050287|0.050279|0.054699|0.047985|0.055646|0.053710|0.062748|0.077677|0.058326|0.068648|0.049273|0.045518|0.055138|0.092557|0.076117|0.089170|0.075381|0.068267|0.083500|0.123546|0.211242|0.500000| 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