Version2.0 2020-02-16T16:56:34Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCC[NH+](CCCC)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)c2ccc(c(c2)C)OC)c3c(ccs3)C C40019471 RHF 6-31G(d) (6D,7F) CCCC[NH+](CCCC)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)c2ccc(c(c2)C)OC)c3c(ccs3)C C01[X(C29H40N2O4S1)] 222 C1 624 CCCC[NH+](CCCC)CCCN1C(=O)C(=C([C@H]1c1sccc1C)C(=O)c1ccc(c(c1)C)OC)[O-] CCCC[NH+](CCCC)CCCN1C(=O)C(=C([C@H]1c1sccc1C)C(=O)c1ccc(c(c1)C)OC)[O-] CCCC[NH+](CCCC)CCCN1[C@H](c2sccc2C)C(=C([O-])C1=O)C(=O)c3ccc(OC)c(C)c3 InChIKey=DNLPQRJMSGCKHX-VWLOTQADSA-N InChI=1S/C29H40N2O4S/c1-6-8-14-30(15-9-7-2)16-10-17-31-25(28-20(3)13-18-36-28)24(27(33)29(31)34)26(32)22-11-12-23(35-5)21(4)19-22/h11-13,18-19,25,33H,6-10,14-17H2,1-5H3/t25-/m0/s1 InChI=1/C29H40N2O4S/c1-6-8-14-30(15-9-7-2)16-10-17-31-25(28-20(3)13-18-36-28)24(27(33)29(31)34)26(32)22-11-12-23(35-5)21(4)19-22/h11-13,18-19,25,33H,6-10,14-17H2,1-5H3/t25-/m0/s1/f/h33h,30H CCCC[NH+](CCCC)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)c2ccc(c(c2)C)OC)c3c(ccs3)C C01[X(C29H40N2O4S1)] 222 C01 624 CCCC[NH+](CCCC)CCCN1C(=O)C(=C([C@H]1c1sccc1C)C(=O)c1ccc(c(c1)C)OC)[O-] CCCC[NH](CCCC)CCCN1C(=O)C(=O)[C@H]([C@H]1c1sccc1C)C(=O)c1ccc(c(c1)C)OC CCCC[NH](CCCC)CCCN1[C@@H]([C@@H](C(=O)C1=O)C(=O)c2ccc(OC)c(C)c2)c3sccc3C InChIKey=GRNOWZCJMHTPNA-RPBOFIJWSA-N InChI=1S/C29H41N2O4S/c1-6-8-14-30(15-9-7-2)16-10-17-31-25(28-20(3)13-18-36-28)24(27(33)29(31)34)26(32)22-11-12-23(35-5)21(4)19-22/h11-13,18-19,24-25,30H,6-10,14-17H2,1-5H3/t24-,25+/m1/s1 InChI=1/C29H41N2O4S/c1-6-8-14-30(15-9-7-2)16-10-17-31-25(28-20(3)13-18-36-28)24(27(33)29(31)34)26(32)22-11-12-23(35-5)21(4)19-22/h11-13,18-19,24-25,30H,6-10,14-17H2,1-5H3/t24-,25+/m1/s1 4369.8326808004 -1927.242174 1-A 21931.9133 138 486 624 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1600.33 1624.61 1628.52 1633.90 1648.36 1674.58 1677.10 1689.73 1695.60 1729.73 1743.16 1749.43 1780.93 1795.68 1803.83 1827.68 1835.46 1862.79 1863.13 1876.16 1890.62 1908.63 1920.99 1946.49 1951.69 1955.68 1970.41 1978.78 2007.54 2030.64 2048.41 2051.65 2063.19 2077.81 2092.13 2104.12 2105.96 2114.18 2127.58 2145.62 2166.95 2190.01 2191.08 2195.17 2211.46 2225.22 2236.91 2246.71 2248.37 2260.43 2261.03 2261.16 2263.96 2271.41 2280.28 2296.29 2303.98 2338.68 2342.95 2343.77 2346.82 2351.90 2353.25 2354.30 2354.40 2358.90 2362.33 2365.14 2365.52 2367.28 2373.40 2375.14 2378.82 2386.32 2390.13 2391.17 2394.14 2398.16 2424.49 2560.44 2570.50 2611.06 2626.11 2775.01 2783.16 4586.84 4594.94 4596.35 4608.63 4609.11 4609.31 4613.01 4615.49 4630.49 4631.22 4642.19 4644.34 4657.17 4666.69 4670.17 4671.60 4680.33 4691.30 4696.73 4705.47 4706.72 4719.44 4723.15 4724.81 4729.29 4735.81 4742.43 4753.21 4766.36 4774.27 4774.38 4834.08 4842.11 4854.98 4862.94 4877.60 4890.00 4906.28 4940.34 5327.46 0.699902 0.736529 0.737473 0.626471 -1926.542272 -1926.505645 -1926.504701 -1926.615703 3.723025D-04 MUNgauss RevisionA2.0 retrievium 16-Feb-2020 DUDE CCCC[NH+](CCCC)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)c2ccc(c(c2)C)OC)c3c(ccs3)C C40019471 RHF 6-31G(d) (6D,10F) C1 512.270880 |X|Y|Z| 56.045322 47.747438 128.494671 70.058073 17 6 7 16 15 1 1 |36.858105| |12.476347|36.858105| |7.503526|12.395373|36.858105| |4.913770|7.592024|12.503579|36.858105| |3.747399|4.900783|7.480904|12.564461|53.358707| |3.750018|4.689842|7.249138|9.318854|25.731579|0.500000| |3.447694|4.223269|6.078011|7.603022|17.264841|0.258465|36.858105| |2.918329|3.339199|4.521240|5.008639|10.291729|0.209458|12.490224|36.858105| |2.597607|2.865126|3.630466|3.823194|6.694929|0.132077|7.542560|12.436021|36.858105| |2.242375|2.403809|2.943686|3.030305|5.122457|0.106308|4.893083|7.491537|12.469524|36.858105| |2.996905|3.796526|4.910912|7.550517|17.096049|0.256942|7.706482|5.912894|4.201262|3.396275|36.858105| |2.810741|3.489103|4.250352|5.890313|10.050063|0.200063|4.947143|4.329940|3.266422|2.831507|12.335630|36.858105| |2.620883|3.254685|3.646987|4.904186|6.994713|0.133201|3.823274|3.305853|2.674475|2.346528|7.336460|12.359942|36.858105| |2.980560|3.838697|4.064227|5.497447|6.701719|0.125338|3.660608|3.046000|2.508946|2.178984|5.961406|7.643188|13.223558|53.358707| |2.991453|3.731462|3.709380|4.484623|5.301462|0.104717|3.017715|2.594950|2.180267|1.932611|4.265306|5.365584|7.372715|17.612225|36.858105| |2.570293|3.094180|3.067901|3.623193|4.469793|0.088492|2.643806|2.323791|1.986141|1.783144|3.680305|4.600667|6.565010|12.518696|17.567073|0.500000| |3.446068|4.409031|3.988414|4.621113|5.012336|0.097032|2.943738|2.476493|2.119965|1.861375|3.756829|4.193799|5.105791|11.148188|12.521507|0.241406|36.858105| |3.624068|4.902246|4.411826|5.448518|5.600622|0.102860|3.323165|2.685996|2.309148|1.984540|4.179237|4.284776|5.124485|11.125613|7.919140|0.171637|13.582028|36.858105| |3.182356|4.244851|4.336895|6.076512|6.781539|0.119346|3.859962|3.068655|2.578478|2.193098|5.699869|5.849980|7.795281|19.193730|8.107787|0.179379|8.141841|12.406966|36.858105| |2.973385|3.901431|4.130843|5.921393|7.076357|0.118402|4.250199|3.293393|2.798758|2.338498|6.244435|5.564730|6.771274|11.440335|5.435327|0.131900|5.425342|7.728865|15.776103|73.516695| |3.837875|5.182569|4.361458|5.086640|5.153337|0.093689|3.230076|2.588967|2.279284|1.946409|3.689680|3.561925|4.007125|7.522429|5.279218|0.124462|7.876064|15.715762|8.017069|11.814941|73.516695| |3.469002|4.143684|3.538266|3.740859|4.129683|0.082016|2.520462|2.172210|1.894265|1.686395|2.990113|3.277679|3.745812|6.953025|7.234279|0.171580|13.156960|7.556001|5.078942|6.936401|10.927689|36.858105| |3.938985|4.571161|3.629656|3.635831|3.935694|0.078062|2.461188|2.115329|1.867045|1.658691|2.754960|2.903383|3.177467|5.624085|5.143816|0.124241|8.125076|6.453859|4.344483|6.272177|10.990276|15.759383|73.516695| |2.837089|3.204661|2.864028|2.997455|3.503404|0.070934|2.171938|1.928128|1.694447|1.535835|2.588491|2.914248|3.344790|5.762823|6.117690|0.167728|7.469199|4.968210|3.937350|5.626811|7.480591|12.595722|14.532946|36.858105| |2.395207|2.702171|2.497152|2.680496|3.235588|0.065156|2.024235|1.814219|1.603072|1.462041|2.468565|2.814942|3.350690|5.610589|5.845641|0.187270|6.163984|4.415337|3.758482|5.456302|6.627779|7.500756|9.667961|13.813441|36.858105| |2.092405|2.296257|2.149704|2.272634|2.811741|0.057197|1.787966|1.632149|1.455023|1.343461|2.144764|2.440643|2.833716|4.461659|4.301421|0.137138|4.278511|3.340949|2.984290|4.507021|5.212780|4.990162|7.258478|7.895965|13.681698|36.858105| |2.076254|2.222567|2.069071|2.132345|2.642051|0.054357|1.692154|1.558455|1.394336|1.295408|1.977765|2.231176|2.498212|3.862886|3.623351|0.108593|3.664574|2.922018|2.603503|3.987249|4.664268|4.430734|6.859964|6.830791|7.939928|13.786322|36.858105| |2.345058|2.476229|2.261342|2.277654|2.776672|0.057483|1.772717|1.626517|1.451317|1.344326|2.032977|2.273454|2.487190|3.896885|3.669261|0.103816|3.875615|3.056693|2.651759|4.039955|4.921751|5.019976|8.083481|7.835637|6.839953|7.878943|13.582915|36.858105| |2.784879|2.997589|2.667400|2.681796|3.175435|0.065399|1.998305|1.802905|1.595323|1.460607|2.299128|2.563185|2.814573|4.593918|4.496144|0.121457|5.113118|3.815267|3.151824|4.682660|6.059193|7.600185|11.896501|13.638872|8.001810|6.913723|7.985710|13.825161|36.858105| |2.211656|2.260550|2.071209|2.040351|2.514340|0.052494|1.628754|1.513078|1.360971|1.271576|1.818203|2.007331|2.136294|3.259836|2.927001|0.081406|3.064528|2.536833|2.241216|3.491423|4.185698|3.790098|6.518892|4.985876|4.436291|5.018888|7.554973|12.623667|7.547106|36.858105| 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|2.560443|2.946435|3.056871|3.393180|4.432833|0.095071|2.593693|2.394733|2.010519|1.850555|3.495301|4.684810|5.259900|7.480161|7.356842|0.197452|5.008012|3.895141|4.049595|5.919426|5.595173|4.469792|6.406889|4.774898|4.701543|4.158266|3.815707|3.841961|4.249083|3.195090|5.728208|2.934023|14.085334|36.858105| |2.568121|2.856393|2.999868|3.171779|4.217144|0.093814|2.507056|2.375953|1.995809|1.863711|3.183326|4.096841|4.109166|5.647549|5.003445|0.129761|3.950697|3.230239|3.295411|5.008516|4.848582|3.752313|5.718924|3.986928|3.755499|3.497071|3.448288|3.619307|3.891732|3.205106|5.376064|2.713862|8.191682|13.177850|36.858105| |3.039536|3.358089|3.546185|3.595551|4.667194|0.106553|2.740221|2.579121|2.144723|1.987755|3.330235|4.119894|3.898707|5.545566|4.793507|0.116321|4.072765|3.373094|3.352664|5.097688|5.126351|3.935667|6.198875|3.957523|3.497785|3.176806|3.195328|3.532286|3.965361|3.203496|4.950873|2.458989|7.644643|8.182187|14.218463|36.858105| |3.852671|4.597871|4.735689|4.892900|5.761773|0.127728|3.215911|2.857788|2.345125|2.103756|3.980742|4.827464|4.669739|7.442013|6.718640|0.143152|5.955343|4.720392|4.492902|6.472264|6.880921|5.464572|8.393628|4.862976|4.016637|3.376726|3.274447|3.681731|4.530857|3.188605|4.880330|2.417609|10.902517|7.432562|7.487807|11.042599|388.023441| |2.154971|2.447557|2.523013|2.819559|3.763741|0.079036|2.279130|2.129663|1.823118|1.695091|3.067781|4.019966|4.801556|6.453631|5.920709|0.191308|4.182875|3.390616|3.601674|5.429687|4.967228|3.771315|5.467856|4.212689|4.645102|4.380443|3.845665|3.575204|3.716744|2.969360|5.949045|3.200581|7.428235|12.631662|7.436465|5.108981|33.484950|36.858105| |17.579005|8.831970|5.477379|4.086801|4.332861|0.087594|2.944022|2.523285|2.284648|1.997523|2.658475|2.533007|2.430294|3.805047|2.870053|0.069403|3.400204|3.544770|3.006640|4.963152|6.844758|3.574384|7.563977|2.920030|2.440350|2.133952|2.130962|2.429746|2.901150|2.302240|3.338420|1.683107|2.864276|2.434974|2.423530|2.823255|25.141473|2.074369|0.500000| |17.519537|8.751892|6.786431|4.521856|4.922048|0.099870|3.520461|3.006954|2.746752|2.359309|2.865714|2.620736|2.416215|3.650466|2.630994|0.063771|2.960215|3.170450|2.880595|4.932550|6.031345|2.931074|5.798059|2.452826|2.120964|1.875245|1.857334|2.068262|2.403837|1.966500|2.949819|1.509420|2.647303|2.283062|2.295417|2.672018|23.144744|1.954914|0.301499|0.500000| 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|8.864012|17.583745|8.798087|6.982063|6.243336|0.123622|3.761118|3.041448|2.589763|2.212294|3.768422|3.658044|3.532325|5.948313|4.479382|0.100157|5.612027|5.931871|4.747268|7.278668|10.612306|5.361529|10.667083|3.912965|3.176944|2.636715|2.544000|2.875597|3.605790|2.572304|3.859134|1.942610|4.365020|3.388060|3.231998|3.836602|40.395705|2.751458|0.214428|0.172803|0.210209|0.306401|0.500000| |6.874704|8.817918|17.498072|8.872144|9.324757|0.216173|5.401001|4.441216|3.498184|2.937807|4.652537|4.296468|3.581114|5.287222|3.665777|0.084384|3.789822|3.926021|3.888736|6.436214|6.646598|3.438022|6.181341|2.867963|2.490560|2.168122|2.112357|2.326395|2.727459|2.151596|3.312887|1.696317|3.934503|3.269235|3.331863|4.108994|38.452107|2.636388|0.140685|0.168687|0.203898|0.173453|0.210411|0.500000| |6.937507|8.862886|17.538853|8.761935|9.181593|0.179100|6.674765|4.958657|4.125443|3.253410|4.446952|3.701719|3.168609|4.641490|3.093091|0.073278|3.293347|3.671636|3.673357|6.513187|6.662316|2.977192|5.478099|2.473077|2.193353|1.917917|1.853475|2.011346|2.328859|1.866420|2.933650|1.521388|3.094186|2.624599|2.598790|3.011592|26.736058|2.224249|0.141483|0.205766|0.170312|0.211796|0.173529|0.302580|0.500000| |4.528795|6.860030|8.726513|17.651218|12.355343|0.182098|7.147161|4.589321|3.721220|2.911048|6.817035|5.104993|4.616985|7.192056|4.208110|0.096877|4.517127|5.842487|6.611448|12.702671|10.415320|3.629476|6.347300|2.880629|2.610493|2.206292|2.050784|2.169899|2.546191|1.937592|3.192218|1.674328|3.759166|3.036761|2.787135|3.065606|28.743246|2.611576|0.108848|0.118988|0.111078|0.207694|0.172219|0.172593|0.206482|0.500000| |4.593250|6.971400|8.946599|17.745453|12.444465|0.220401|5.620764|4.169677|3.245430|2.683086|7.338674|6.859932|6.013375|10.102311|5.952367|0.125065|5.987849|6.817265|7.694638|11.575456|10.137228|4.530339|7.491440|3.538375|3.127940|2.593790|2.407756|2.574980|3.086688|2.261756|3.685125|1.907368|5.569643|4.138189|3.736913|4.244548|45.062485|3.318639|0.110027|0.112188|0.121268|0.172924|0.210917|0.215865|0.173828|0.303254|0.500000| |3.978586|4.830637|7.175967|7.601852|12.353264|0.207830|17.687132|8.879627|6.886818|4.557009|5.680509|4.092985|3.340664|4.556615|2.854776|0.069308|2.884032|3.274288|3.608510|6.931244|5.835151|2.521807|4.475835|2.153378|1.982128|1.750342|1.668743|1.764677|1.998631|1.631236|2.669155|1.408831|2.798295|2.440783|2.380294|2.640519|22.268841|2.134723|0.092269|0.116887|0.102812|0.132687|0.113011|0.165959|0.256612|0.203759|0.149350|0.500000| |3.097133|3.797257|4.986851|6.512991|12.442153|0.183788|17.621091|8.757630|6.834693|4.515028|7.633795|4.729179|3.849496|4.988417|2.953355|0.072876|2.891212|3.348865|4.001592|8.330660|5.857528|2.451295|4.240360|2.112126|1.993232|1.758285|1.649481|1.711850|1.923605|1.564981|2.641695|1.411299|2.799210|2.462265|2.333883|2.496069|20.790648|2.209978|0.075474|0.087687|0.080617|0.108168|0.095587|0.120629|0.148216|0.195846|0.141054|0.303466|0.500000| |2.602670|2.984098|3.894949|4.501379|9.389514|0.194193|8.804294|17.544232|8.861698|6.893754|6.460693|4.783690|3.544146|4.250467|2.628641|0.066078|2.443275|2.621424|3.068547|5.870101|4.415709|2.126094|3.628830|1.909858|1.819027|1.643077|1.561398|1.615085|1.778158|1.497562|2.535394|1.358583|2.669893|2.472277|2.440728|2.597140|20.051707|2.225036|0.063543|0.073150|0.071764|0.079686|0.077748|0.108106|0.112582|0.115091|0.109865|0.173570|0.208054|0.500000| |3.082222|3.439163|4.746119|4.858184|9.396742|0.222394|8.884268|17.503026|8.850324|6.888791|5.152720|4.124962|3.139757|3.987015|2.565660|0.063533|2.449114|2.599331|2.894991|5.343624|4.433720|2.179965|3.789471|1.945683|1.815052|1.639696|1.580287|1.662215|1.841284|1.557568|2.562868|1.357923|2.672594|2.450249|2.490512|2.757517|21.393699|2.147843|0.073045|0.088270|0.086486|0.088832|0.086828|0.137787|0.144909|0.117745|0.114327|0.214343|0.173024|0.303038|0.500000| |2.799598|3.031866|3.822003|3.820896|6.252989|0.123060|6.962083|8.849442|17.527410|8.860250|3.756377|2.975262|2.489931|3.265872|2.113934|0.053301|2.095855|2.292909|2.500224|4.791110|4.087678|1.893118|3.359839|1.683627|1.580355|1.432943|1.379308|1.444716|1.593161|1.360151|2.250180|1.200110|2.110939|1.932234|1.924362|2.088874|16.393118|1.743284|0.067945|0.084322|0.075122|0.083402|0.074464|0.100760|0.126635|0.104255|0.088677|0.208825|0.171800|0.173811|0.211787|0.500000| |2.426681|2.707314|3.335306|3.641218|6.253237|0.117643|6.924062|8.855090|17.528100|8.858427|4.183118|3.196869|2.678133|3.406686|2.149271|0.054788|2.092694|2.308467|2.609838|5.159653|4.074181|1.857990|3.247200|1.660667|1.583312|1.435494|1.367004|1.413811|1.552160|1.319991|2.232001|1.200796|2.110267|1.943565|1.901774|2.017313|15.771666|1.784232|0.060121|0.070883|0.064893|0.075719|0.068523|0.087289|0.103394|0.102420|0.086577|0.170645|0.205788|0.212136|0.173703|0.303749|0.500000| |2.081158|2.250361|2.732677|2.887850|4.957473|0.103224|4.509920|6.786745|8.773256|17.545493|3.463355|2.927362|2.413897|2.988149|1.937497|0.050000|1.839287|1.949612|2.182478|4.142601|3.365299|1.658152|2.873460|1.521069|1.459492|1.345209|1.293082|1.333605|1.442425|1.258581|2.134351|1.151426|1.971931|1.877188|1.886067|1.986674|14.777879|1.734913|0.051882|0.059933|0.057649|0.060895|0.058444|0.076243|0.081573|0.076964|0.072432|0.111567|0.118764|0.204540|0.169332|0.172950|0.210740|0.500000| |2.304507|2.428386|2.984259|2.976093|4.957961|0.106868|4.521089|6.785249|8.773813|17.546294|3.207865|2.753379|2.272542|2.891272|1.911431|0.048856|1.841583|1.940289|2.116838|3.943355|3.373207|1.683287|2.951451|1.538884|1.457240|1.343163|1.303627|1.359727|1.475499|1.293590|2.150453|1.150867|1.972623|1.867010|1.908380|2.055602|15.290702|1.697007|0.056710|0.067492|0.064534|0.064719|0.062037|0.084819|0.091735|0.077747|0.073665|0.120541|0.110957|0.169372|0.204398|0.210792|0.172939|0.301410|0.500000| |2.080341|2.202227|2.625395|2.675527|4.341885|0.088702|4.066441|5.468190|8.801802|17.570895|2.919124|2.467864|2.101178|2.683441|1.762271|0.045464|1.712543|1.829658|2.001870|3.805234|3.221076|1.563541|2.748368|1.428135|1.362853|1.256992|1.213717|1.257753|1.361628|1.193700|2.006298|1.080310|1.778232|1.679456|1.687306|1.791528|13.469033|1.550870|0.052005|0.061263|0.057086|0.060281|0.056268|0.072065|0.080900|0.072711|0.066217|0.109102|0.108391|0.140853|0.140759|0.213237|0.213190|0.301894|0.301879|0.500000| |2.663108|3.234355|4.120991|5.608986|12.450827|0.214681|7.696398|6.888389|4.793721|3.892855|17.653298|8.803160|5.742855|6.234955|3.496464|0.086964|3.106263|3.396735|4.397881|8.710288|5.484593|2.560098|4.237591|2.269341|2.188127|1.937310|1.798504|1.838687|2.046371|1.663697|2.879672|1.548230|3.402699|3.067294|2.861091|2.959137|23.834068|2.768460|0.065960|0.072138|0.072398|0.087580|0.087800|0.110649|0.109247|0.145932|0.146136|0.150280|0.219908|0.240542|0.155983|0.112637|0.134828|0.114036|0.099566|0.091188|0.500000| |2.946610|3.788605|4.639286|7.286264|12.432328|0.182607|6.811189|4.971416|3.853923|3.093281|17.686510|8.725791|7.292687|8.710223|4.348698|0.105202|3.957403|4.686142|6.921286|15.723810|7.435740|3.083045|5.055511|2.626322|2.523410|2.170166|1.978347|2.021576|2.295874|1.794567|3.115970|1.670349|3.850597|3.268996|2.905286|3.003614|25.987268|2.937438|0.073741|0.078370|0.077711|0.106542|0.104623|0.116029|0.117691|0.214900|0.196018|0.148756|0.216474|0.144593|0.118667|0.097945|0.111067|0.086838|0.080080|0.075838|0.301537|0.500000| |3.086121|3.827407|4.736339|6.238913|9.969657|0.226850|4.740496|4.210470|3.156360|2.765620|8.724366|17.575330|8.859290|9.663817|5.680143|0.129602|4.422680|4.294399|5.355507|8.497810|6.311111|3.523521|5.542423|3.134034|2.948863|2.553945|2.369526|2.456361|2.795062|2.174499|3.701118|1.946356|6.470626|5.478228|4.979985|5.253405|44.783163|4.299920|0.076390|0.078608|0.087449|0.096402|0.113528|0.140865|0.110556|0.138991|0.214038|0.113336|0.119030|0.124470|0.117811|0.081348|0.083476|0.078304|0.076533|0.066825|0.184724|0.180385|0.500000| |2.468830|2.951348|3.544727|4.543563|7.924874|0.166095|4.391869|4.187115|3.205041|2.872569|8.897686|17.542007|8.891301|7.654483|4.362445|0.110284|3.458681|3.474857|4.498703|7.860564|5.286013|2.819217|4.478250|2.591093|2.546988|2.265134|2.084262|2.102750|2.319643|1.878367|3.324944|1.791055|4.539166|4.310958|3.899506|3.796922|28.982195|3.890745|0.062231|0.064786|0.069054|0.077604|0.084912|0.101289|0.088849|0.112565|0.138389|0.100709|0.117494|0.135706|0.111054|0.079495|0.087235|0.084703|0.077522|0.069281|0.236058|0.184260|0.304872|0.500000| |2.394605|2.883344|3.167744|3.981445|5.666933|0.113371|3.232170|2.917156|2.400637|2.160605|5.458191|8.905772|17.620028|12.579586|7.158207|0.197192|4.680561|4.355175|5.798102|8.908004|6.152089|3.599949|5.357691|3.391844|3.499733|3.020451|2.646864|2.589840|2.873544|2.215631|4.116650|2.231151|6.682623|6.326648|4.664767|4.130377|32.723013|6.202680|0.062260|0.061245|0.066467|0.076832|0.087576|0.088716|0.077168|0.103139|0.133025|0.079765|0.089224|0.087386|0.078464|0.062174|0.066352|0.062145|0.058652|0.053997|0.129563|0.145041|0.211204|0.224508|0.500000| |2.398601|2.945017|3.268423|4.355679|6.331947|0.116624|3.696698|3.203935|2.654759|2.325583|6.883351|8.805996|17.580807|12.548604|5.692400|0.151864|4.385257|4.670093|7.269745|13.122164|6.785553|3.308108|5.094247|2.971186|3.034971|2.601956|2.284603|2.249370|2.512814|1.946114|3.579461|1.953033|4.683417|4.143454|3.359180|3.191879|26.420717|4.033517|0.062245|0.062356|0.064845|0.081395|0.086882|0.087269|0.081247|0.120698|0.138412|0.089124|0.108120|0.096419|0.082374|0.068201|0.075557|0.066924|0.061619|0.058300|0.160286|0.213454|0.173826|0.208536|0.302875|0.500000| |2.333587|2.681481|2.505800|2.763570|3.348632|0.066480|2.093038|1.862301|1.645405|1.493370|2.610782|2.976982|3.691283|6.305544|6.474391|0.228931|6.656988|4.903589|4.255092|6.116809|7.193873|6.910789|8.916744|8.943576|17.725119|8.936978|5.659367|4.935967|5.666881|3.548586|7.459265|3.924396|5.069620|4.528102|3.509301|3.247899|26.932479|4.653845|0.065584|0.057894|0.063762|0.073597|0.086663|0.068444|0.061310|0.075958|0.089754|0.056511|0.057932|0.052115|0.051211|0.044870|0.045483|0.041534|0.041065|0.038674|0.064040|0.075402|0.084514|0.074476|0.106562|0.094448|0.500000| |1.896119|2.079982|1.972388|2.103720|2.642705|0.053573|1.694588|1.555885|1.394156|1.292419|2.042845|2.322415|2.719827|4.174935|3.861230|0.126935|3.725641|3.034815|2.797909|4.300754|4.772837|4.079263|6.076903|5.645171|8.932639|17.753884|8.891240|5.608802|4.976449|4.085819|12.540964|7.508700|3.664118|3.766423|3.165258|2.831167|21.022034|4.227165|0.053484|0.047733|0.052849|0.056433|0.065304|0.055058|0.049338|0.057147|0.066062|0.045848|0.046610|0.043762|0.043204|0.038000|0.038384|0.036098|0.035777|0.033669|0.051715|0.057645|0.066460|0.060618|0.081352|0.070612|0.217168|0.500000| |3.141828|3.299404|2.859730|2.783813|3.249541|0.067291|2.052066|1.847942|1.636336|1.495338|2.296321|2.518001|2.688283|4.369549|4.115764|0.106482|4.822637|3.739348|3.054123|4.580225|6.095202|7.159258|13.021252|8.963555|5.693571|4.974869|5.662981|8.967310|17.733430|6.986399|7.606831|3.336047|4.394013|3.885068|3.728903|4.024685|33.456433|3.294409|0.092318|0.074038|0.090521|0.084545|0.111578|0.081774|0.069113|0.072854|0.088173|0.057674|0.054399|0.050145|0.052810|0.045720|0.043971|0.040761|0.042157|0.038723|0.056753|0.063366|0.077089|0.063051|0.074993|0.066611|0.124810|0.107958|0.500000| |2.028753|2.062111|1.886438|1.860889|2.301629|0.047775|1.507459|1.402901|1.272427|1.191434|1.668858|1.823583|1.944926|2.951819|2.598843|0.073010|2.741832|2.323066|2.057254|3.240643|3.889937|3.347311|5.859595|4.272560|3.976035|4.607433|6.736196|8.841954|5.875787|17.557797|12.464867|4.765248|2.748194|2.750146|2.728222|2.712064|19.362727|2.621818|0.059061|0.050604|0.058376|0.054469|0.064383|0.053950|0.047686|0.049590|0.056724|0.042008|0.040460|0.038564|0.039959|0.035374|0.034403|0.032754|0.033597|0.031208|0.042657|0.046033|0.054244|0.047611|0.055834|0.049827|0.090627|0.108382|0.152070|0.500000| |2.415754|2.423460|2.191392|2.117220|2.585945|0.054183|1.677845|1.556204|1.399903|1.305770|1.841196|2.013121|2.110095|3.231575|2.871122|0.077821|3.067343|2.563528|2.242836|3.500427|4.274888|3.837845|6.877149|4.743917|3.978742|4.177140|5.575547|8.886426|7.270640|17.580544|8.894018|3.662479|3.147003|3.083247|3.158868|3.289474|23.599678|2.777427|0.070474|0.059193|0.070897|0.062637|0.076795|0.063562|0.054795|0.055582|0.064879|0.047037|0.044517|0.042492|0.044736|0.039066|0.037555|0.035726|0.037032|0.034043|0.046723|0.050329|0.061034|0.052073|0.060085|0.053247|0.090529|0.095946|0.223133|0.301054|0.500000| |2.078940|2.123716|1.984230|1.960010|2.452413|0.051585|1.589268|1.491094|1.339790|1.260081|1.781564|1.983694|2.096339|3.137660|2.791832|0.078115|2.820584|2.351620|2.127698|3.333394|3.854382|3.341996|5.648243|4.279157|3.972796|4.590210|6.704590|8.836778|5.877445|17.550156|12.375652|4.709918|3.120212|3.253634|3.363911|3.296233|22.142878|3.058046|0.059325|0.051727|0.060892|0.055151|0.066480|0.057798|0.049839|0.051391|0.060233|0.043995|0.042313|0.041192|0.042780|0.037057|0.036020|0.034762|0.035700|0.032821|0.045554|0.048465|0.059876|0.052092|0.061086|0.052948|0.090409|0.107765|0.151786|0.303280|0.300934|0.500000| |1.641522|1.755045|1.690303|1.769536|2.275223|0.046837|1.479170|1.388499|1.253053|1.180026|1.745610|1.980319|2.224231|3.244802|2.851607|0.088948|2.691629|2.280215|2.165368|3.424370|3.664436|2.905177|4.573145|3.730653|4.583559|6.751408|7.006936|4.731099|3.790823|4.060283|16.445145|17.548876|2.929527|3.212959|2.927458|2.580395|17.796737|3.666609|0.046098|0.041758|0.046458|0.047129|0.054080|0.047939|0.042828|0.047567|0.054571|0.040032|0.040402|0.039192|0.038890|0.034115|0.034325|0.033064|0.032876|0.030822|0.045034|0.048401|0.057118|0.053019|0.067274|0.057883|0.113396|0.226465|0.087926|0.110949|0.092270|0.117955|0.500000| |1.624764|1.727776|1.634820|1.700659|2.158062|0.044032|1.415604|1.318949|1.199653|1.124944|1.641258|1.822287|2.045488|3.043129|2.650282|0.081554|2.631597|2.260862|2.094447|3.328052|3.707901|2.924498|4.714294|3.747708|4.591989|6.756879|7.051221|4.775403|3.822962|4.101278|16.450721|17.557162|2.619961|2.725898|2.482558|2.276515|16.315686|2.965503|0.046232|0.041357|0.045548|0.046909|0.053197|0.045851|0.041589|0.046259|0.052075|0.038620|0.038852|0.036961|0.036813|0.032860|0.032971|0.031364|0.031269|0.029523|0.042270|0.046031|0.052239|0.048322|0.060373|0.053837|0.113621|0.225384|0.088773|0.120510|0.093199|0.110768|0.299172|0.500000| |1.539547|1.615352|1.542199|1.586631|2.034567|0.041950|1.339390|1.262530|1.149722|1.087161|1.537529|1.710883|1.878862|2.740904|2.358635|0.071052|2.304433|1.992346|1.869769|2.992674|3.274966|2.540556|4.156087|3.179166|3.621058|4.914500|5.873032|4.411419|3.420093|4.248254|17.009900|17.634530|2.429822|2.599237|2.467444|2.254119|15.539862|2.810102|0.043617|0.039318|0.043667|0.043425|0.049401|0.043757|0.039394|0.042747|0.048303|0.036554|0.036513|0.035416|0.035487|0.031483|0.031439|0.030340|0.030380|0.028532|0.039888|0.042614|0.049478|0.045833|0.055763|0.049172|0.089216|0.146547|0.082157|0.125972|0.095091|0.124485|0.299999|0.299921|0.500000| |2.273126|2.475989|2.600469|2.723000|3.693857|0.082057|2.257976|2.183626|1.859148|1.762676|2.803873|3.526720|3.518201|4.693612|4.000845|0.108275|3.265331|2.747090|2.816167|4.388189|4.212909|3.155105|4.912726|3.418616|3.319509|3.233474|3.248954|3.338133|3.421257|3.054026|5.262699|2.695669|5.715178|8.576780|17.721929|8.930347|37.786659|6.759304|0.059930|0.057226|0.067747|0.062324|0.076279|0.079800|0.063962|0.067447|0.086501|0.059557|0.058681|0.062713|0.063652|0.049684|0.049250|0.049819|0.050275|0.044516|0.071796|0.071304|0.114463|0.096941|0.111905|0.082650|0.086295|0.083108|0.090763|0.072973|0.082653|0.091610|0.081608|0.067629|0.069100|0.500000| |3.030073|3.214870|3.407213|3.306318|4.342481|0.100644|2.622752|2.519398|2.113746|1.982586|3.013512|3.564960|3.282311|4.603717|3.817429|0.094360|3.420668|2.937272|2.899903|4.524450|4.602581|3.391105|5.565288|3.399587|3.004632|2.791545|2.875991|3.217759|3.533706|3.055649|4.567061|2.268536|5.383783|5.660897|8.789159|17.779344|55.252927|4.054646|0.077844|0.074586|0.095428|0.076782|0.099428|0.112329|0.081972|0.078433|0.104050|0.071043|0.065732|0.069880|0.076203|0.057538|0.054689|0.054775|0.057666|0.049695|0.075950|0.075291|0.123339|0.093211|0.094950|0.076882|0.077396|0.069645|0.102549|0.072305|0.088917|0.088293|0.065440|0.058270|0.058672|0.204146|0.500000| |2.035487|2.268313|2.295024|2.502000|3.302707|0.069350|2.040435|1.916254|1.663178|1.556152|2.628789|3.288522|3.807046|5.289358|4.896071|0.157932|3.782386|3.056333|3.121122|4.758719|4.578253|3.623727|5.312627|4.305264|4.902635|5.025372|4.488330|4.001629|3.943271|3.304465|7.045520|3.803432|5.918905|8.900333|6.595697|4.655251|29.672198|17.547281|0.055048|0.051293|0.058340|0.059358|0.070825|0.066623|0.056637|0.064880|0.080510|0.053727|0.054981|0.055174|0.053903|0.044475|0.045192|0.044084|0.043415|0.039809|0.066603|0.070515|0.097644|0.088647|0.127991|0.092141|0.130115|0.135902|0.094815|0.080707|0.083592|0.096455|0.125313|0.094957|0.091608|0.180780|0.106314|0.500000| |2.010458|2.265506|2.381795|2.662772|3.672816|0.077821|2.246365|2.140220|1.832191|1.721765|3.036174|4.017876|4.602307|5.711558|4.739483|0.146113|3.494944|2.975310|3.246414|5.060119|4.448173|3.144449|4.712066|3.403542|3.679003|3.549983|3.211590|3.013407|3.091506|2.602306|5.165368|2.832475|5.771930|8.871280|6.755272|4.679981|29.223688|17.531601|0.053400|0.051241|0.057583|0.059227|0.069394|0.069498|0.059057|0.068402|0.085297|0.057908|0.060488|0.062951|0.059989|0.048268|0.049782|0.049391|0.047902|0.043667|0.077851|0.079544|0.117655|0.113727|0.169517|0.109582|0.103380|0.097370|0.078104|0.064652|0.068221|0.075260|0.089972|0.073003|0.070770|0.189757|0.107041|0.302091|0.500000| 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