Version2.0 2020-01-07T19:07:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCn1c(c(c(=O)[nH]c1=O)N(CC)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)c3c(noc3C)C)N C12700428 RHF 6-31G(d) (6D,7F) CCCCn1c(c(c(=O)[nH]c1=O)N(CC)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)c3c(noc3C)C)N C01[X(C22H36N7O6S1)] 210 C1 616 CCCCn1c(=O)[nH]c(=O)c(c1N)N(C(=O)C[NH+]1CCCN(CC1)S(=O)(=O)c1c(C)noc1C)CC CCCCn1c(=O)[nH]c(=O)c(c1N)N(C(=O)C[NH+]1CCCN(CC1)S(=O)(=O)c1c(C)noc1C)CC CCCCN1C(=O)NC(=O)C(=C1N)N(CC)C(=O)C[NH+]2CCCN(CC2)[S](=O)(=O)c3c(C)onc3C InChIKey=CQXZUAMPVLKGIB-UHFFFAOYSA-O InChI=1S/C22H35N7O6S/c1-5-7-11-29-20(23)18(21(31)24-22(29)32)28(6-2)17(30)14-26-9-8-10-27(13-12-26)36(33,34)19-15(3)25-35-16(19)4/h5-14,23H2,1-4H3,(H,24,31,32)/p+1 InChI=1/C22H35N7O6S/c1-5-7-11-29-20(23)18(21(31)24-22(29)32)28(6-2)17(30)14-26-9-8-10-27(13-12-26)36(33,34)19-15(3)25-35-16(19)4/h5-14,23H2,1-4H3,(H,24,31,32)/p+1/fC22H36N7O6S/h24,26H/q+1 CCCCn1c(c(c(=O)[nH]c1=O)N(CC)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)c3c(noc3C)C)N C01[X(C22H36N7O6S1)] 210 C01 616 CCCCn1c(=O)[nH]c(=O)c(c1N)N(C(=O)C[NH+]1CCCN(CC1)S(=O)(=O)c1c(C)noc1C)CC CCCCN1C(=O)NC(=O)[C@H]([C@@H]1N)N(C(=O)C[NH]1CCCN(CC1)S(=O)(=O)[C@@H]1[C@H](C)ON=C1C)CC CCCCN1[C@@H](N)[C@H](N(CC)C(=O)C[NH]2CCCN(CC2)[S](=O)(=O)[C@@H]3[C@H](C)ON=C3C)C(=O)NC1=O InChIKey=GXPSTSQCTQSDTO-FRYIKTPZSA-N InChI=1S/C22H40N7O6S/c1-5-7-11-29-20(23)18(21(31)24-22(29)32)28(6-2)17(30)14-26-9-8-10-27(13-12-26)36(33,34)19-15(3)25-35-16(19)4/h16,18-20,26H,5-14,23H2,1-4H3,(H,24,31,32)/t16-,18-,19-,20+/m0/s1 InChI=1/C22H40N7O6S/c1-5-7-11-29-20(23)18(21(31)24-22(29)32)28(6-2)17(30)14-26-9-8-10-27(13-12-26)36(33,34)19-15(3)25-35-16(19)4/h16,18-20,26H,5-14,23H2,1-4H3,(H,24,31,32)/t16-,18-,19-,20+/m0/s1/f/h24H 4494.8616270907 -2081.619867 1-A 23900.6496 140 476 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.31634 -20.75100 -20.67579 -20.65460 -20.65422 -20.62833 -20.62308 -15.84308 -15.72769 -15.72738 -15.72038 -15.71066 -15.70783 -15.70292 -11.50177 -11.49249 -11.46936 -11.45599 -11.45046 -11.44063 -11.43968 -11.43909 -11.40392 -11.40109 -11.38917 -11.38533 -11.37773 -11.36378 -11.35466 -11.35240 -11.32820 -11.32239 -11.31877 -11.31053 -11.29822 -11.27958 -9.28709 -6.97350 -6.97315 -6.97219 -1.61868 -1.58333 -1.55274 -1.52960 -1.49061 -1.48195 -1.45674 -1.43161 -1.38618 -1.37557 -1.35135 -1.31875 -1.29178 -1.22849 -1.21195 -1.19630 -1.17484 -1.15388 -1.13940 -1.11858 -1.09663 -1.09149 -1.07519 -1.07327 -1.03502 -1.00805 -1.00529 -0.99331 -0.98689 -0.96059 -0.95260 -0.91426 -0.89955 -0.89592 -0.88593 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901.88 918.51 929.53 952.76 1003.11 1012.61 1021.25 1047.71 1084.78 1099.98 1123.41 1137.96 1142.99 1145.71 1183.97 1218.22 1228.00 1246.22 1248.82 1259.67 1291.47 1330.50 1385.18 1403.76 1412.24 1417.53 1430.68 1471.88 1491.41 1499.25 1511.27 1545.75 1569.16 1597.99 1626.59 1630.44 1636.81 1662.48 1664.74 1668.02 1676.95 1680.20 1691.00 1695.20 1717.46 1744.30 1746.48 1756.88 1769.87 1774.68 1798.83 1815.05 1883.16 1885.26 1900.34 1902.34 1945.78 1973.64 1986.29 2007.83 2015.92 2021.48 2030.26 2044.19 2052.35 2055.55 2081.99 2093.38 2112.63 2120.35 2126.62 2133.72 2184.28 2185.91 2193.24 2206.45 2215.35 2219.95 2232.21 2244.94 2251.07 2252.06 2255.97 2260.15 2266.93 2270.11 2272.31 2274.32 2310.54 2324.20 2327.91 2333.17 2334.87 2338.28 2341.82 2344.50 2351.03 2353.28 2360.81 2363.72 2365.56 2368.94 2371.82 2380.15 2382.80 2391.43 2395.49 2402.54 2411.28 2468.59 2566.91 2618.29 2656.12 2753.98 2794.76 2872.04 4577.34 4590.02 4611.22 4637.18 4642.58 4643.44 4650.18 4651.32 4654.02 4658.10 4677.72 4686.29 4703.62 4706.17 4718.78 4720.48 4723.01 4726.08 4736.34 4739.34 4744.98 4748.45 4752.85 4778.07 4794.49 4796.04 4796.14 4824.24 4830.29 4832.31 4852.53 4855.06 5258.22 5526.86 5532.82 5683.02 0.654135 0.689276 0.690221 0.582429 -2080.965732 -2080.930591 -2080.929646 -2081.037438 3.615361D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2020 DUDE CCCCn1c(c(c(=O)[nH]c1=O)N(CC)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)c3c(noc3C)C)N C12700428 RHF 6-31G(d) (6D,10F) C1 526.244779 |X|Y|Z| 49.328016 65.804628 130.908243 75.180584 22 6 7 8 16 14 6 1 1 |36.858105| |12.468123|36.858105| |7.487890|12.446942|36.858105| |4.885117|7.523982|12.473291|36.858105| |3.770207|4.935461|7.591457|12.886670|53.358707| |3.275006|4.042511|5.669398|7.619382|18.925047|36.858105| |2.700008|3.169992|4.151125|5.085818|10.910985|13.980181|36.858105| |2.505519|2.893986|3.722812|4.449856|9.243256|7.818092|13.233500|36.858105| |2.180544|2.453998|3.032603|3.474568|6.469772|5.361083|8.126400|15.828331|73.516695| |2.751230|3.232677|4.244344|5.188639|11.099260|7.057570|8.064309|13.834343|15.048376|53.358707| |2.536115|2.914021|3.675338|4.290064|8.035725|5.152099|5.819373|9.338567|13.734016|25.957227|0.500000| |3.341791|4.140897|5.808939|7.827292|18.628999|7.911113|6.815595|7.755707|9.588574|18.969207|0.263196|36.858105| |3.480709|4.303177|5.703786|7.079218|11.463448|5.445495|4.779225|5.397963|7.540600|11.570750|0.217402|15.995544|73.516695| |2.365474|2.692574|3.341420|3.855723|7.015250|7.798222|13.368272|7.815043|12.187483|7.091531|0.118531|4.515116|6.260029|53.358707| |2.117710|2.416621|2.873203|3.372990|5.730612|5.751664|7.694091|5.666430|9.546357|5.703785|0.099670|3.742762|5.418252|17.593720|36.858105| |1.919248|2.184964|2.557444|3.024036|5.096851|4.607066|6.099737|5.570067|10.312309|5.702261|0.103744|3.584723|5.299928|10.235343|12.488153|36.858105| |2.230350|2.457680|3.014464|3.275412|5.705001|5.648868|8.122753|6.461414|11.528521|6.162245|0.108372|3.870024|5.570459|19.225214|7.663053|5.619662|36.858105| |2.359567|2.555714|3.180726|3.315951|5.750376|5.396525|7.060604|6.194856|10.840543|6.297527|0.112010|3.983711|5.785203|11.475397|5.281805|4.270265|15.849416|73.516695| |1.901741|2.062060|2.432889|2.612963|4.306797|3.960870|5.117753|4.565910|8.892649|4.703016|0.087033|2.996931|4.507098|10.464309|6.584181|5.345085|12.423463|14.487724|36.858105| |1.807362|1.917471|2.241744|2.332475|3.761537|3.294548|4.026364|3.834410|7.571180|4.172064|0.079434|2.678905|4.127454|7.013050|4.372515|3.849962|7.814420|13.291861|12.769227|53.358707| |1.886681|1.998540|2.364374|2.445624|4.000715|3.459619|4.285079|4.261546|8.591245|4.616177|0.088460|2.906585|4.462831|7.049003|4.150899|3.733258|8.035545|16.170953|9.462982|25.623764|0.500000| |1.585338|1.673764|1.919186|2.001203|3.166567|2.683879|3.207555|3.178607|6.432257|3.571609|0.069796|2.297983|3.616162|5.317958|3.624993|3.444629|5.086166|8.541758|7.651285|17.208422|0.255462|36.858105| |1.504040|1.567010|1.783336|1.829258|2.856930|2.351742|2.736614|2.789147|5.614515|3.251850|0.064797|2.106857|3.375194|4.271553|2.872174|2.776892|3.936700|7.159284|4.965642|10.218887|0.200524|12.477195|36.858105| |1.527469|1.569533|1.778038|1.787620|2.752808|2.251569|2.546657|2.549085|4.950804|3.037265|0.060255|2.011091|3.245713|3.906519|2.580194|2.423815|3.587681|6.852327|4.226306|8.561038|0.173239|7.320819|12.470423|36.858105| |1.711954|1.752110|2.011656|1.996980|3.098866|2.542357|2.868845|2.860149|5.470995|3.406906|0.067067|2.258295|3.621351|4.341791|2.739507|2.513687|4.117730|8.500967|4.498701|9.261816|0.212355|6.133613|7.752333|12.976884|53.358707| |1.860354|1.905491|2.199917|2.171088|3.362285|2.826939|3.151223|2.991079|5.529900|3.526316|0.067794|2.378640|3.770445|4.899416|3.030689|2.658018|4.773813|10.037355|5.108768|10.257839|0.214474|5.672754|5.717666|7.643658|17.715479|36.858105| |1.836852|1.917936|2.219551|2.250133|3.526780|3.068381|3.520821|3.231997|6.021136|3.674243|0.069646|2.455927|3.832203|5.918422|3.718769|3.163929|6.078922|11.338053|7.661133|17.188839|0.260328|7.626549|6.063138|6.565652|10.494397|12.483326|36.858105| |1.695887|1.705465|1.940671|1.887434|2.879695|2.289512|2.508740|2.546930|4.790834|3.158668|0.063132|2.126709|3.481354|3.617701|2.293933|2.134360|3.247645|6.790458|3.314118|5.915595|0.136868|4.048927|5.018379|7.142820|15.442941|7.232124|4.763738|388.023441| |1.912216|1.904073|2.186500|2.083185|3.169889|2.505525|2.693954|2.708537|4.953507|3.406280|0.067495|2.327351|3.809589|3.796471|2.349254|2.149428|3.386670|7.403050|3.250589|5.513448|0.129611|3.518366|3.956057|5.008762|10.506627|6.922382|4.538038|95.015356|73.516695| |1.540047|1.538059|1.719889|1.670314|2.504921|1.980412|2.139002|2.150513|4.018681|2.694275|0.053955|1.838978|3.041046|3.095406|2.018508|1.888052|2.702387|5.421279|2.821152|4.877981|0.106051|3.524003|4.401300|6.485634|10.250911|5.627333|4.031517|94.791766|13.668823|73.516695| |1.612681|1.632351|1.857332|1.826672|2.806155|2.190998|2.430150|2.572352|4.971102|3.227067|0.066117|2.132138|3.522845|3.429115|2.194655|2.109471|3.013092|6.184177|3.060265|5.269966|0.125430|3.818092|4.921579|5.844082|9.696062|4.824407|3.779835|78.279663|13.096442|13.182199|36.858105| |1.700831|1.735453|1.997388|1.977060|3.082139|2.377225|2.668153|2.933232|5.766704|3.711614|0.077445|2.400844|3.968864|3.666834|2.315295|2.258029|3.193256|6.634069|3.127793|5.174393|0.128093|3.656623|4.403861|4.593219|7.540198|4.188055|3.499535|47.652189|10.614857|8.585455|13.207899|36.858105| |1.568009|1.600578|1.820806|1.813429|2.801344|2.130690|2.376986|2.645020|5.234908|3.407151|0.072434|2.207489|3.704622|3.240645|2.096927|2.089874|2.737437|5.477402|2.713774|4.336838|0.103210|3.198008|3.842832|3.844076|5.740536|3.321422|2.907162|34.765980|7.738368|7.104095|8.552749|14.906587|53.358707| |1.436062|1.456895|1.636076|1.624679|2.474672|1.890762|2.087524|2.266941|4.434799|2.913055|0.061271|1.919763|3.233802|2.891391|1.904950|1.893095|2.433015|4.781641|2.477900|4.000289|0.091909|3.053308|3.820452|3.967283|5.588425|3.171619|2.756396|35.162104|7.287663|7.838556|8.813573|8.949710|18.868754|73.516695| |1.455261|1.470012|1.650305|1.628917|2.474036|1.912538|2.104940|2.235668|4.327528|2.840091|0.058769|1.887838|3.157182|2.960994|1.943082|1.898230|2.532208|5.018492|2.611691|4.352896|0.099328|3.317732|4.319290|4.909167|6.953752|3.729718|3.102980|48.551188|8.937797|11.116369|14.005099|8.614411|11.727728|25.913325|36.858105| |1.327303|1.334298|1.478883|1.457676|2.184836|1.687899|1.836624|1.921271|3.679645|2.451178|0.050509|1.651579|2.777777|2.600556|1.738574|1.698421|2.192222|4.253531|2.295153|3.768873|0.082661|2.939479|3.795625|4.421444|5.782372|3.258115|2.761035|38.469342|7.255150|10.844145|7.213144|5.150501|7.217588|14.254298|12.775898|36.858105| |1.939645|1.996914|2.354569|2.331272|3.723595|2.863741|3.253888|3.679590|7.207118|4.656768|0.097138|2.947795|4.803698|4.336600|2.634307|2.544999|3.803339|8.321004|3.485507|5.559250|0.144170|3.645222|4.005250|4.033169|6.955146|4.293421|3.677546|39.316956|10.397554|7.069156|7.164692|12.729758|10.746443|9.499988|5.174676|3.696732|36.858105| |3.393657|4.173870|5.520793|6.807167|11.119955|14.052397|8.032835|5.165028|7.191782|6.396217|0.104755|5.259176|7.374841|9.147134|5.493364|4.125646|5.090948|8.492545|3.774121|4.273419|0.088692|2.560074|2.232998|2.171369|3.317022|2.782813|3.057646|15.552737|4.257274|3.416779|2.043850|2.162059|2.636674|3.111216|1.792241|1.604136|2.534594|53.358707| |17.551972|8.781182|6.791207|4.516869|4.974311|3.130238|2.636974|2.510816|3.906559|3.814015|0.072803|3.391280|6.448434|3.124730|2.038452|1.867502|2.191514|4.174211|1.869426|2.443833|0.052523|1.579460|1.511758|1.538096|2.356115|1.862268|1.816994|12.343631|3.499736|2.792905|1.664100|1.767555|2.222567|2.646765|1.502048|1.364771|2.025178|4.254977|0.500000| |17.569911|8.794353|5.465728|4.059517|4.349082|2.824288|2.374568|2.216612|3.475406|3.288312|0.062553|2.879063|5.365290|2.877266|1.927878|1.762417|1.994677|3.713279|1.729337|2.240623|0.047444|1.459343|1.387918|1.409054|2.129486|1.692041|1.674721|11.038153|3.082560|2.530262|1.479586|1.552395|1.962199|2.363562|1.346251|1.236891|1.748299|4.011738|0.301880|0.500000| |17.538285|8.768273|6.775858|4.503306|4.955694|3.303951|2.731562|2.491313|3.870795|3.633267|0.067904|3.166604|5.666602|3.313822|2.163097|1.931203|2.321461|4.398044|1.978253|2.571148|0.054623|1.645011|1.559608|1.597703|2.452151|1.982444|1.948480|12.688843|3.607357|2.883368|1.672288|1.747731|2.175545|2.611876|1.501185|1.371204|1.988923|4.801264|0.301514|0.301853|0.500000| |8.857666|17.503090|8.834890|6.901807|6.254296|3.969878|3.096048|2.756138|4.176818|4.071750|0.074498|3.730815|6.660166|3.655734|2.458597|2.201568|2.423544|4.402240|2.050632|2.570806|0.054074|1.651145|1.534473|1.534606|2.315246|1.862917|1.898006|11.661013|3.228941|2.645431|1.559598|1.644121|2.064841|2.470985|1.407993|1.285243|1.873990|5.919982|0.172988|0.213190|0.210485|0.500000| |8.864017|17.530337|8.868303|6.943371|6.290310|3.680334|2.961410|2.782651|4.221993|4.329286|0.081066|4.110877|8.029731|3.408358|2.281073|2.109010|2.278240|4.180679|1.931306|2.445026|0.052064|1.585691|1.489532|1.482376|2.235266|1.763477|1.777200|11.397906|3.153106|2.576531|1.553586|1.661097|2.105332|2.501071|1.409190|1.280402|1.904772|4.981006|0.211049|0.213157|0.172937|0.303830|0.500000| |6.855915|8.837717|17.564123|8.924111|9.510496|5.108858|3.995099|3.798695|5.539451|6.159352|0.111459|6.261319|11.754582|4.340738|2.708923|2.459935|2.950157|5.664505|2.384624|3.041239|0.066398|1.920015|1.805740|1.803412|2.795156|2.215173|2.197794|14.295406|4.058384|3.146224|1.946358|2.119716|2.632995|3.062601|1.726580|1.536528|2.530600|6.287980|0.203439|0.140324|0.168431|0.173392|0.212110|0.500000| |6.880381|8.836375|17.487478|8.803114|9.377946|5.981469|4.346508|3.733172|5.440661|5.479004|0.096018|5.116395|8.366804|4.891673|3.020097|2.608477|3.292114|6.269787|2.623239|3.298486|0.070838|2.041713|1.889771|1.902778|2.962258|2.427988|2.443803|14.857852|4.235865|3.280755|1.961979|2.088742|2.559139|3.012392|1.727228|1.547260|2.465135|8.595686|0.169515|0.140551|0.203913|0.210680|0.173641|0.303718|0.500000| |4.508822|6.820215|8.743430|17.619388|12.451181|7.236863|4.833755|4.022556|5.715407|5.951921|0.101756|5.850688|9.294950|5.248209|3.510236|3.088817|3.205838|5.607189|2.596668|3.110568|0.065463|1.966551|1.780720|1.737882|2.617734|2.108799|2.219487|12.798061|3.500283|2.856167|1.727516|1.847108|2.309428|2.728730|1.546828|1.395108|2.144781|10.463995|0.110878|0.108217|0.118598|0.205062|0.171403|0.173411|0.207449|0.500000| |4.546085|6.868221|8.870359|17.694896|12.605420|5.802870|4.352055|4.094183|5.820560|6.826862|0.120327|7.704093|14.683101|4.578043|3.034085|2.834929|2.891175|5.179101|2.366357|2.897889|0.062070|1.859733|1.713337|1.665928|2.509513|1.972707|2.036274|12.487790|3.416288|2.777395|1.723576|1.875710|2.371197|2.774746|1.551753|1.391761|2.197116|6.902863|0.120251|0.108862|0.111350|0.170409|0.208007|0.214802|0.173470|0.304824|0.500000| |1.971240|2.208291|2.574493|2.920424|4.754445|4.576706|5.657607|4.455793|7.836038|4.693746|0.084341|3.130883|4.664972|12.408979|17.586954|8.818237|7.225740|8.874916|7.542212|6.481516|0.118570|3.972637|3.043423|2.726940|3.870672|3.193108|4.101045|16.588730|4.191301|3.687055|2.197323|2.271469|2.794098|3.361227|1.950061|1.761067|2.529340|6.341805|0.052646|0.050186|0.056443|0.062735|0.057672|0.067518|0.076052|0.084780|0.073221|0.500000| |2.238313|2.599464|3.068591|3.701167|6.118677|6.206664|7.126973|5.053725|8.015512|5.469890|0.094703|3.802455|5.531077|12.592115|17.612739|8.885516|5.836557|7.927194|4.949664|4.898878|0.095908|3.038974|2.490618|2.290399|3.319943|2.713139|3.234238|14.866852|3.849420|3.304353|1.992055|2.094264|2.596762|3.096092|1.775268|1.600852|2.375858|8.774704|0.059055|0.056733|0.063363|0.074777|0.067996|0.078406|0.089269|0.111398|0.091624|0.306178|0.500000| |2.009473|2.320433|2.736146|3.333906|5.749037|5.012530|6.598426|6.474952|11.467618|6.742430|0.121707|4.157532|6.072816|9.177676|8.798745|17.616900|4.970844|7.139856|4.409236|4.606188|0.094254|3.031025|2.535639|2.242028|3.200809|2.463403|2.833973|14.529922|3.696412|3.205367|2.044200|2.220881|2.817692|3.303645|1.844176|1.643655|2.535691|5.768793|0.054477|0.051150|0.055522|0.064528|0.062905|0.073415|0.075955|0.093582|0.088283|0.172948|0.213178|0.500000| |1.809669|2.029167|2.370661|2.731616|4.589596|4.037884|5.428513|5.443841|11.324997|5.497047|0.103231|3.344065|5.007529|9.160059|8.726860|17.588662|5.804957|7.883204|6.008796|5.898092|0.116911|3.993360|3.155827|2.663583|3.710402|2.818271|3.375383|16.227217|4.019093|3.568790|2.287169|2.461361|3.108102|3.665129|2.059058|1.830714|2.756939|4.870405|0.049373|0.046181|0.050674|0.056232|0.054481|0.064406|0.067330|0.075983|0.071581|0.206756|0.172835|0.303183|0.500000| |1.787525|2.026970|2.318723|2.722455|4.393706|3.842758|4.656449|4.267541|7.809013|4.699304|0.087337|3.072324|4.678320|7.532659|8.901119|17.562704|4.428983|6.235383|4.472938|4.571162|0.088827|3.117183|2.537886|2.226008|3.088559|2.394977|2.843315|13.801454|3.452359|3.100696|1.914015|2.024232|2.575522|3.088058|1.743970|1.580783|2.236822|4.922264|0.048098|0.046050|0.049918|0.057298|0.054602|0.061577|0.065462|0.078563|0.071673|0.215615|0.214673|0.301879|0.300774|0.500000| |1.852364|2.004420|2.329593|2.495090|4.002199|3.682619|4.483981|3.849870|7.174594|4.127697|0.076321|2.722321|4.140834|9.058102|6.491693|4.995859|8.641642|11.027245|17.642585|12.331171|0.184056|6.522672|4.375289|3.879463|5.458107|4.729405|7.392790|21.410683|5.257047|4.706824|2.722580|2.719083|3.252831|3.958156|2.363811|2.126463|2.960726|5.043796|0.050122|0.047076|0.053809|0.056065|0.051965|0.062548|0.070159|0.070210|0.062614|0.239632|0.141185|0.112507|0.146939|0.123225|0.500000| |1.792161|1.953881|2.288975|2.497794|4.126429|3.704829|4.870731|4.627645|9.599340|4.725973|0.088928|2.944573|4.450778|9.427351|6.745653|6.325993|8.872466|11.156099|17.658257|12.332060|0.211377|7.524311|4.866020|3.887110|5.376376|4.162795|5.627611|21.402842|5.160241|4.611494|2.905975|3.025234|3.665818|4.362041|2.535788|2.232093|3.335354|4.681226|0.049081|0.045512|0.051233|0.053917|0.051449|0.062613|0.067256|0.068874|0.063892|0.207882|0.136120|0.138986|0.223385|0.144662|0.301527|0.500000| |1.520764|1.602871|1.818683|1.895211|2.954996|2.508669|2.933989|2.832976|5.577661|3.225869|0.062740|2.115364|3.346234|4.907744|3.487665|3.271835|4.493617|7.355810|6.786031|12.418796|0.181210|17.620134|8.742773|6.366108|7.030333|5.137280|7.259703|25.403919|5.585131|5.798416|3.274674|3.079689|3.732069|4.753351|2.919599|2.682680|3.052934|3.335736|0.041840|0.039086|0.043956|0.044267|0.042131|0.050100|0.053856|0.052306|0.048902|0.110103|0.082415|0.079028|0.102927|0.084644|0.187016|0.181869|0.500000| |1.558845|1.659875|1.904881|2.015836|3.216548|2.715764|3.309704|3.366767|7.060076|3.738081|0.073605|2.363828|3.712313|5.468872|3.843009|3.853702|5.022344|8.088179|7.455639|12.367043|0.213604|17.642958|8.906891|5.451125|6.538332|4.436923|5.606703|24.762747|5.507064|5.407584|3.476142|3.486873|4.277183|5.250952|3.093009|2.729184|3.529679|3.466181|0.043168|0.039912|0.044578|0.045463|0.043989|0.052995|0.055675|0.054988|0.052437|0.115307|0.087894|0.093296|0.130319|0.096415|0.169829|0.247890|0.302266|0.500000| |1.387623|1.444133|1.626180|1.672121|2.583653|2.107768|2.424099|2.472313|4.953360|2.922119|0.058587|1.907771|3.083774|3.753455|2.605447|2.567082|3.319354|5.895331|4.153643|7.566839|0.144603|9.047183|17.550968|8.865676|7.649615|4.457393|4.761300|29.472325|5.897242|6.930743|4.179189|3.747292|4.691485|6.312684|3.947970|3.671226|3.358361|2.741732|0.038696|0.035789|0.039853|0.039410|0.038307|0.045633|0.047580|0.045433|0.043800|0.077093|0.063407|0.065132|0.080919|0.066468|0.106070|0.117171|0.220869|0.212853|0.500000| |1.527034|1.593167|1.822245|1.871819|2.946482|2.397101|2.813272|2.964490|6.109261|3.468969|0.070079|2.213178|3.553100|4.276248|2.832826|2.796068|3.912138|7.280939|4.647828|8.953498|0.201059|8.896458|17.572296|8.948509|9.770858|5.100000|5.097466|36.632979|7.244010|7.644500|5.732063|5.423311|6.448589|8.114095|4.982518|4.098116|4.782963|3.036879|0.042907|0.039054|0.043748|0.043036|0.042252|0.051744|0.053268|0.050136|0.048959|0.081180|0.068199|0.072144|0.089154|0.070166|0.109661|0.130486|0.173844|0.223969|0.303624|0.500000| |1.488181|1.525688|1.714935|1.721374|2.623297|2.155523|2.406648|2.357490|4.503326|2.818138|0.055514|1.891471|3.057093|3.732768|2.509335|2.328337|3.376149|6.298386|4.040979|7.819609|0.146404|6.596557|8.713073|17.552594|12.289555|7.358897|6.770611|41.058441|7.813497|10.396163|4.533872|3.680304|4.310732|5.843772|3.980597|3.809398|3.346417|2.882702|0.041382|0.038278|0.043426|0.041716|0.039919|0.047912|0.051190|0.046893|0.044456|0.074964|0.062408|0.059388|0.070195|0.060148|0.108426|0.101788|0.183633|0.135811|0.208760|0.173297|0.500000| |1.443096|1.473800|1.656628|1.657627|2.530100|2.035397|2.275325|2.308908|4.477761|2.804570|0.056270|1.865674|3.046583|3.408714|2.272897|2.169348|3.034058|5.803746|3.448982|6.405573|0.133791|5.453826|8.958971|17.663320|12.395070|5.712869|4.815699|51.876241|8.533129|13.378695|6.543620|4.755875|5.603238|8.076702|5.981168|5.680017|3.890113|2.664341|0.040554|0.037123|0.041799|0.039914|0.038845|0.046931|0.048925|0.044633|0.043228|0.065994|0.056703|0.056420|0.065976|0.055752|0.088643|0.090585|0.135935|0.124325|0.219633|0.216684|0.306630|0.500000| |1.792081|1.815557|2.062924|2.015651|3.055196|2.541601|2.756327|2.592995|4.726351|3.119564|0.060114|2.145130|3.440275|4.237596|2.700323|2.371705|3.911644|7.881085|4.182971|7.589225|0.150534|4.646203|4.767601|6.604141|12.184585|17.531514|8.989279|46.080945|11.105634|10.372195|4.228064|3.581201|3.994560|5.128745|3.424515|3.133825|3.570842|3.480772|0.049668|0.045569|0.053381|0.049565|0.046588|0.057392|0.063395|0.054785|0.050977|0.079678|0.068518|0.061211|0.068960|0.060383|0.113773|0.097144|0.125251|0.103436|0.110329|0.116477|0.201867|0.147103|0.500000| |2.061954|2.105532|2.467686|2.400861|3.741405|3.145126|3.468061|3.273204|5.915475|3.884229|0.074047|2.636086|4.155967|5.238887|3.112898|2.696882|5.121916|11.857834|4.900475|8.843926|0.203387|4.713639|4.650030|5.639532|12.546147|17.705463|8.902739|49.051490|14.530778|9.011052|4.749712|4.347919|4.597498|5.555477|3.594614|3.070384|4.780801|4.184141|0.057566|0.051556|0.061392|0.056725|0.053710|0.069469|0.076608|0.064095|0.060025|0.088803|0.078132|0.070491|0.078397|0.066733|0.123331|0.110701|0.117091|0.109297|0.103425|0.123577|0.145820|0.128156|0.301591|0.500000| |1.987955|2.086090|2.429365|2.460716|3.853063|3.441090|3.883780|3.388282|6.086769|3.838201|0.071401|2.609468|4.032629|6.707818|4.119204|3.320366|6.860624|12.503093|7.738083|12.294240|0.205174|5.697171|4.562016|4.811116|7.733628|8.966431|17.679708|28.721533|7.326897|6.165213|3.266413|3.110348|3.558188|4.365371|2.715628|2.431631|3.377090|4.816917|0.054119|0.050122|0.059060|0.057746|0.053149|0.065912|0.075502|0.068043|0.060959|0.127466|0.100850|0.082440|0.095286|0.082671|0.226928|0.150673|0.156197|0.129074|0.105156|0.112462|0.138440|0.105876|0.208091|0.227961|0.500000| |1.684810|1.753943|1.996304|2.029024|3.128097|2.687363|3.035989|2.802650|5.236501|3.235303|0.061841|2.181015|3.442356|5.064036|3.383071|2.936440|4.813088|8.469764|6.367766|12.401682|0.185634|7.658250|6.083377|6.630146|8.836064|8.727140|17.650774|30.125465|6.898003|6.846526|3.416243|3.100302|3.609149|4.588011|2.915925|2.682702|3.141591|3.694105|0.046156|0.043058|0.049552|0.048530|0.045360|0.054670|0.060589|0.056099|0.051429|0.106301|0.082698|0.072512|0.087036|0.075226|0.189626|0.140745|0.242718|0.152410|0.141030|0.133149|0.218183|0.135418|0.222831|0.174515|0.302755|0.500000| |1.260200|1.273602|1.408407|1.399772|2.099967|1.625062|1.777014|1.863599|3.598107|2.368342|0.048914|1.589313|2.671866|2.529965|1.712090|1.689694|2.121174|4.046519|2.255639|3.680530|0.079661|2.966616|3.881624|4.297917|5.281126|3.010829|2.645693|31.797401|6.142192|8.730130|5.763247|4.514723|6.585403|12.735617|9.013800|17.570689|3.348852|2.101448|0.035885|0.032709|0.036050|0.034186|0.034057|0.040502|0.040774|0.037344|0.037240|0.048327|0.043682|0.045295|0.050888|0.043902|0.058193|0.061777|0.075593|0.077496|0.108821|0.116586|0.103593|0.154791|0.080183|0.077853|0.064549|0.072473|0.500000| |1.292321|1.292138|1.423824|1.396498|2.077684|1.589462|1.713149|1.795975|3.412441|2.321738|0.048057|1.576010|2.673777|2.398171|1.606919|1.573261|1.994418|3.867669|2.057469|3.300207|0.072306|2.532031|3.134386|3.558285|4.799164|2.835649|2.425197|31.986155|6.522138|8.908393|5.776381|4.549576|6.639906|12.824504|9.049308|17.579374|3.380451|2.056669|0.037054|0.033544|0.037008|0.034490|0.034539|0.041241|0.041221|0.037053|0.037193|0.044980|0.041407|0.042584|0.046796|0.040788|0.053205|0.055692|0.064776|0.066142|0.084527|0.093651|0.087726|0.119799|0.076495|0.075853|0.060477|0.065309|0.302334|0.500000| |1.335172|1.337876|1.479942|1.452910|2.169393|1.686388|1.826319|1.882635|3.574624|2.391359|0.048832|1.622531|2.720304|2.607966|1.743673|1.684314|2.209328|4.290209|2.327767|3.861285|0.083500|2.994083|3.863162|4.827683|6.251561|3.529085|2.924423|42.825424|7.767256|14.266186|6.665738|4.573770|5.967580|10.313496|8.924560|17.688583|3.457503|2.203035|0.038001|0.034577|0.038527|0.035914|0.035502|0.042502|0.043284|0.038785|0.038350|0.049428|0.044688|0.045029|0.050180|0.043646|0.060551|0.062075|0.077094|0.075535|0.103473|0.110677|0.118824|0.177639|0.097019|0.090701|0.071172|0.079818|0.298312|0.300138|0.500000| |2.086710|2.118895|2.505722|2.418665|3.813281|2.900327|3.191771|3.510400|6.541886|4.563792|0.093907|2.987771|4.910725|4.185883|2.522648|2.389837|3.624273|8.119179|3.233672|5.069854|0.127734|3.243970|3.496274|3.685064|6.542935|4.282164|3.546625|39.672993|12.091095|7.132865|6.381855|8.958081|8.348566|8.186267|4.651917|3.467447|17.602481|3.526578|0.061009|0.051920|0.059826|0.054812|0.055738|0.075600|0.073539|0.061388|0.062915|0.067237|0.064208|0.066404|0.070443|0.058639|0.077926|0.084110|0.077556|0.085847|0.082459|0.110132|0.087543|0.098724|0.101079|0.139330|0.092826|0.083858|0.085525|0.090057|0.092259|0.500000| |1.925487|1.996021|2.352424|2.353641|3.774672|2.835423|3.223662|3.809174|7.573805|4.973707|0.107753|3.088975|5.099873|4.172709|2.566996|2.541037|3.519467|7.410837|3.197266|4.858339|0.122070|3.261689|3.502686|3.393793|5.483658|3.505201|3.155399|30.157356|7.860893|5.838808|5.448248|9.007650|10.350388|8.806442|4.441662|3.296705|17.627275|3.355169|0.056169|0.048288|0.054175|0.051748|0.053485|0.070958|0.067175|0.059650|0.062497|0.067477|0.064606|0.071602|0.076555|0.061989|0.075747|0.087413|0.076734|0.090782|0.084134|0.116259|0.079969|0.091870|0.083054|0.106540|0.081939|0.076369|0.084961|0.085702|0.084281|0.299484|0.500000| 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