Version2.1 2021-01-27T04:40:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](C(C)(C)C)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)[C@H](C(C)C)Oc3ccccc3 C39684687 RHF 6-31G(d) (6D,7F) C[C@@H](C(C)(C)C)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)[C@H](C(C)C)Oc3ccccc3 C01[X(C26H42N3O3)] 216 C1 564 CC([C@@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H](C(C)(C)C)C)Oc1ccccc1)C CC([C@@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H](C(C)(C)C)C)Oc1ccccc1)C CC(C)[C@H](Oc1ccccc1)C(=O)N2C[C@H](C(=O)N[C@@H](C)C(C)(C)C)C3(CC[NH2+]CC3)C2 InChIKey=NTJQGSAOOUOCSD-NNWRFLSQSA-O InChI=1S/C26H41N3O3/c1-18(2)22(32-20-10-8-7-9-11-20)24(31)29-16-21(23(30)28-19(3)25(4,5)6)26(17-29)12-14-27-15-13-26/h7-11,18-19,21-22,27H,12-17H2,1-6H3,(H,28,30)/p+1/t19-,21+,22-/m0/s1 InChI=1/C26H41N3O3/c1-18(2)22(32-20-10-8-7-9-11-20)24(31)29-16-21(23(30)28-19(3)25(4,5)6)26(17-29)12-14-27-15-13-26/h7-11,18-19,21-22,27H,12-17H2,1-6H3,(H,28,30)/p+1/t19-,21+,22-/m0/s1/fC26H42N3O3/h27-28H/q+1 C[C@@H](C(C)(C)C)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)[C@H](C(C)C)Oc3ccccc3 C01[X(C26H42N3O3)] 216 C01 564 CC([C@@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H](C(C)(C)C)C)Oc1ccccc1)C CC([C@@H](C(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)[C]([NH][C@H](C(C)(C)C)C)=O)O[C]1[CH][CH][CH][CH][CH]1)C CC(C)[C@H](O[C]1[CH][CH][CH][CH][CH]1)C(=O)N2C[C@H](C(=O)N[C@@H](C)C(C)(C)C)C3(CC[NH2]CC3)C2 InChIKey=NPQSEEDHGIJZLD-NNWRFLSQSA-N InChI=1S/C26H42N3O3/c1-18(2)22(32-20-10-8-7-9-11-20)24(31)29-16-21(23(30)28-19(3)25(4,5)6)26(17-29)12-14-27-15-13-26/h7-11,18-19,21-22H,12-17,27H2,1-6H3,(H,28,30)/t19-,21+,22-/m0/s1 InChI=1/C26H42N3O3/c1-18(2)22(32-20-10-8-7-9-11-20)24(31)29-16-21(23(30)28-19(3)25(4,5)6)26(17-29)12-14-27-15-13-26/h7-11,18-19,21-22H,12-17,27H2,1-6H3,(H,28,30)/t19-,21+,22-/m0/s1/f/h28H 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187.82 226.85 240.49 254.15 271.19 307.49 324.58 327.43 339.35 354.89 366.39 379.07 388.72 393.20 400.57 423.42 437.77 438.36 454.85 477.21 483.46 526.58 547.41 565.27 576.89 593.70 607.03 612.95 635.61 663.73 675.31 676.85 717.57 750.34 752.32 760.96 785.21 823.79 836.12 860.36 900.60 971.63 984.53 1016.62 1074.76 1121.55 1136.93 1147.08 1166.10 1223.40 1245.59 1252.46 1262.11 1284.47 1310.63 1329.99 1342.06 1354.77 1359.52 1375.16 1382.75 1408.79 1439.19 1457.40 1459.84 1464.26 1473.69 1485.38 1507.70 1511.32 1512.74 1526.78 1561.76 1563.71 1566.87 1583.87 1587.00 1593.27 1609.35 1611.88 1619.49 1624.91 1638.60 1641.98 1649.34 1689.07 1689.59 1692.25 1742.41 1744.63 1766.28 1777.94 1782.09 1806.19 1831.91 1848.24 1850.19 1894.87 1897.36 1914.30 1915.84 1934.10 1941.02 1952.30 1964.66 1975.14 1994.45 2010.74 2024.61 2035.99 2068.93 2085.88 2093.53 2099.29 2102.60 2125.03 2145.90 2160.41 2166.09 2171.63 2180.89 2184.70 2219.91 2223.90 2238.95 2240.44 2242.05 2243.12 2248.59 2259.36 2260.99 2274.03 2276.69 2287.38 2309.21 2323.00 2344.89 2345.16 2349.54 2352.17 2353.83 2357.27 2360.02 2363.21 2364.26 2370.97 2375.57 2382.43 2385.98 2388.95 2390.00 2401.34 2401.54 2412.04 2424.12 2473.80 2562.35 2591.13 2630.07 2759.83 2795.73 4579.52 4598.13 4603.54 4604.25 4609.99 4614.21 4621.16 4630.10 4638.47 4659.16 4676.23 4686.49 4688.54 4695.08 4698.33 4702.59 4705.17 4707.10 4711.49 4717.05 4718.11 4725.06 4726.76 4734.04 4735.02 4743.62 4748.39 4758.64 4764.69 4768.52 4793.56 4796.70 4801.08 4826.38 4828.48 4846.38 4862.92 4873.32 4902.04 5277.44 5369.30 5568.38 0.710889 0.742297 0.743241 0.645768 -1396.082500 -1396.051092 -1396.050148 -1396.147621 3.269260D-04 MUNgauss RevisionA2.0 retrievium 27-Jan-2021 DUDE C[C@@H](C(C)(C)C)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)[C@H](C(C)C)Oc3ccccc3 C39684687 RHF 6-31G(d) (6D,10F) C1 444.322617 |X|Y|Z| 110.781435 61.885950 35.776728 62.596957 19 6 7 8 16 2 1 |36.858105| |12.440238|36.858105| |8.937327|17.643632|0.500000| |7.289376|12.246991|0.247212|36.858105| |6.051421|7.420447|0.152401|12.396763|36.858105| |4.849448|7.561493|0.197425|12.388973|7.612886|36.858105| |6.207994|7.550216|0.194309|12.382659|7.604757|7.650004|36.858105| |7.836462|12.981874|0.259836|7.615047|6.251110|6.483823|4.967557|53.358707| |5.469860|7.676962|0.211431|5.403667|4.472483|5.458207|3.978935|19.339615|36.858105| |4.850042|6.689396|0.222666|4.935849|3.872268|5.276776|3.908007|11.527176|15.788129|73.516695| |4.134618|4.982847|0.132042|3.988572|3.685520|4.078790|3.092092|10.715544|12.449662|14.164604|36.858105| |4.029970|4.791821|0.119949|4.051875|3.992201|4.105754|3.079849|10.321443|8.883174|10.551087|17.561508|0.500000| |3.922030|4.220125|0.113523|3.313809|3.109488|3.216450|2.715219|7.978810|7.583830|10.641990|12.346209|0.243531|36.858105| |3.247739|3.514704|0.099819|2.850909|2.618929|2.859712|2.421925|6.069477|5.942794|10.003219|8.044533|0.162818|13.077561|53.358707| |3.010611|3.435794|0.099918|2.883798|2.603474|3.045609|2.441549|5.876707|6.093840|11.236208|7.927923|0.158261|7.864758|17.829836|36.858105| |3.176567|3.781723|0.105611|3.257621|2.998690|3.541233|2.645085|6.936899|7.368530|11.759351|12.281091|0.242226|7.870529|11.041641|12.350215|36.858105| |2.977957|3.696243|0.105468|3.382539|3.048785|3.982519|2.752053|6.381408|6.389968|11.443569|7.344047|0.174993|4.985200|6.954566|7.390904|12.385870|36.858105| |2.411314|2.868131|0.082311|2.700253|2.482280|3.142510|2.297192|4.642865|4.263532|7.889678|4.826548|0.121817|3.843821|5.714825|5.978803|7.463648|12.511616|36.858105| |2.191970|2.533456|0.070803|2.404437|2.294622|2.717680|2.053009|4.119541|3.615854|6.306770|4.369172|0.117444|3.639135|5.293479|5.066814|6.434861|7.678607|12.645678|53.358707| |1.971401|2.248698|0.063175|2.152674|2.058382|2.421417|1.872562|3.563569|3.062216|5.433648|3.569410|0.096056|3.105552|4.579624|4.250835|4.898829|5.670671|9.158768|25.688711|0.500000| |2.200027|2.555533|0.070349|2.476067|2.404522|2.823956|2.096518|4.162463|3.548665|6.032179|4.252690|0.120362|3.452185|4.771703|4.329603|5.768509|7.046105|9.208845|25.677971|0.328405|0.500000| |2.244902|2.533675|0.070135|2.337142|2.253363|2.543149|1.991778|4.204913|3.715638|6.281309|4.882485|0.130389|4.338829|6.470875|5.986319|7.394805|6.475458|7.590496|17.201153|0.254639|0.255286|36.858105| |2.683612|3.055155|0.083024|2.739621|2.650521|2.931475|2.267865|5.375194|4.902281|7.719894|7.595163|0.204124|6.287320|8.558783|7.505136|12.300377|7.605305|6.512681|10.457732|0.157638|0.194902|12.506017|36.858105| |2.847389|2.942491|0.083573|2.431373|2.264122|2.402136|2.129749|4.787911|4.279170|7.405028|5.207339|0.119116|7.887921|19.049047|7.509717|5.248401|3.803982|3.382344|4.417693|0.081171|0.081574|3.971726|4.745143|36.858105| |2.837011|2.825298|0.078573|2.337886|2.220053|2.257981|2.059656|4.546371|3.835905|6.413097|4.599740|0.111538|7.164551|11.675585|5.307330|4.300172|3.228807|2.873766|3.845777|0.071247|0.072810|3.428700|4.109022|15.882314|73.516695| |2.422021|2.516687|0.072965|2.135969|1.974398|2.145997|1.915293|3.925065|3.459987|6.343435|3.937201|0.092605|4.980786|10.421444|6.298614|4.298728|3.411749|3.238912|4.192793|0.079626|0.075923|3.665683|3.948065|12.412787|14.163264|36.858105| |2.384409|2.541413|0.074556|2.177359|1.992656|2.233294|1.947940|3.967259|3.583177|6.777012|4.046588|0.093857|4.745511|10.125592|7.542000|4.744983|3.848777|3.753969|4.725721|0.089982|0.083466|4.070954|4.223192|8.825855|10.426733|17.599478|0.500000| |2.388799|2.426970|0.071428|2.051944|1.878119|2.034027|1.882110|3.639267|3.116205|5.859501|3.301233|0.078771|4.052684|7.396725|4.643073|3.418891|2.876569|2.716772|3.450372|0.066323|0.063703|2.866808|3.071939|7.474250|11.002289|12.370177|0.248543|36.858105| |2.075582|2.131469|0.063203|1.847573|1.688356|1.859084|1.719030|3.133700|2.656929|5.093378|2.763621|0.067105|3.171794|5.536241|3.883004|2.956057|2.617828|2.571125|3.251313|0.063909|0.059712|2.629066|2.690954|4.916865|7.472495|7.590117|0.204298|12.427542|36.858105| |2.270266|2.234527|0.064652|1.899106|1.766679|1.848149|1.758252|3.308703|2.723066|4.963769|2.882960|0.071005|3.591058|5.933974|3.601673|2.868582|2.428786|2.286156|2.974976|0.057434|0.055959|2.475864|2.671050|6.016643|10.906230|7.403720|0.152530|12.434764|7.555269|36.858105| |2.101541|2.164328|0.061814|1.880438|1.771600|1.890868|1.697017|3.348767|2.857646|5.123111|3.293536|0.081071|4.038897|7.423506|4.746568|3.617406|2.948008|2.902941|3.938677|0.076483|0.071642|3.510483|3.611048|7.909023|11.856926|13.540911|0.260581|7.931924|6.364601|6.599461|73.516695| |1.993202|2.081067|0.058863|1.837612|1.749867|1.871135|1.645466|3.258417|2.781294|4.913749|3.311149|0.083130|3.901543|6.936513|4.762519|3.805990|3.097643|3.151913|4.476544|0.087767|0.080351|4.187630|4.086165|6.385045|9.745025|8.068242|0.207195|5.201623|4.626041|4.499763|24.863458|36.858105| |1.842602|1.951055|0.055585|1.750954|1.660537|1.813119|1.575996|3.023511|2.585672|4.656616|3.015130|0.076095|3.327428|5.779984|4.432787|3.612496|3.104639|3.344711|4.788071|0.097385|0.083956|4.352480|3.879143|4.757476|7.183392|6.053644|0.184746|4.369089|4.336197|3.672601|14.221966|13.722249|36.858105| |1.719565|1.830354|0.051679|1.670813|1.602748|1.743979|1.500994|2.838801|2.396771|4.261523|2.814240|0.073010|2.992459|4.901660|3.849768|3.404693|3.012277|3.362299|5.124554|0.107979|0.089902|4.710152|3.883680|3.801581|5.979077|4.323855|0.130051|3.335511|3.304770|2.925984|9.293891|7.937873|13.735028|36.858105| |1.717369|1.818324|0.050633|1.666337|1.622660|1.728570|1.487876|2.844632|2.368488|4.106827|2.842630|0.075689|3.036195|4.757035|3.598227|3.365545|2.923135|3.183833|5.079122|0.105236|0.091879|4.904797|4.096573|3.659856|6.001026|3.839298|0.109779|2.987574|2.845210|2.722904|8.186511|6.864018|7.915227|13.726350|36.858105| |1.837628|1.922458|0.053086|1.740608|1.705618|1.778706|1.546079|3.037893|2.516558|4.281419|3.086716|0.082584|3.454168|5.345661|3.770270|3.520596|2.917424|3.016266|4.709831|0.093347|0.087164|4.669088|4.340350|4.268378|7.276351|4.235456|0.114147|3.221491|2.926454|3.017008|9.305690|7.948314|6.871070|7.943019|13.729229|36.858105| |1.990451|2.063828|0.057341|1.831774|1.775945|1.852016|1.628381|3.267783|2.737732|4.681281|3.357922|0.087149|4.002634|6.549524|4.309481|3.750384|2.999500|3.001224|4.441467|0.086176|0.081674|4.317035|4.333183|5.786419|9.866797|5.813057|0.145784|4.119616|3.568713|3.857676|14.250675|13.734352|7.911210|6.859983|7.906815|13.732459|36.858105| |17.611194|8.753004|0.211539|6.632173|5.433286|4.471387|6.946382|7.658012|4.343252|7.299499|3.391440|0.091653|3.246929|3.819545|2.641741|2.741796|2.630261|2.183507|2.700024|0.050112|0.055257|2.011895|2.347629|2.517130|4.456137|2.199170|0.060305|2.207212|1.949696|2.111564|3.419505|1.819640|1.695725|1.584773|1.575563|1.673772|1.806316|0.500000| |17.567973|8.852285|0.217589|5.395671|4.606790|4.079557|4.737389|9.813306|5.636380|9.015512|4.345450|0.113286|4.413950|4.959868|3.253095|3.307781|2.996748|2.434569|3.013454|0.055336|0.060938|2.306648|2.772393|3.228326|5.772198|2.702647|0.072877|2.699685|2.296859|2.579064|4.107930|2.155625|1.967560|1.812597|1.803694|1.945715|2.141685|0.302686|0.500000| |17.549982|8.718704|0.173463|6.512514|6.588701|4.407911|5.422980|9.515655|4.841570|7.323040|3.961747|0.112580|3.789894|4.171606|2.811110|3.025855|2.808557|2.293988|2.900439|0.053255|0.059994|2.199258|2.641927|2.713952|4.902888|2.290472|0.062176|2.232843|1.939497|2.153095|3.593969|1.935480|1.782006|1.677240|1.694782|1.825298|1.963222|0.301952|0.301759|0.500000| |5.424512|6.714673|0.139430|8.702751|17.524577|6.878024|5.488968|9.417029|4.900512|7.152040|4.217325|0.133872|3.444187|3.848701|2.808658|3.349822|3.366272|2.694919|3.437974|0.062214|0.074407|2.495676|2.997636|2.411683|4.206182|2.074568|0.058144|1.939869|1.732906|1.820477|3.319591|1.862139|1.761386|1.709305|1.745408|1.843054|1.909098|0.128134|0.121911|0.168694|0.500000| |4.600385|5.434727|0.123492|8.801348|17.556788|7.010064|6.962271|6.450291|3.705297|5.917417|3.158478|0.094772|2.684442|3.157302|2.339398|2.684906|2.797178|2.336372|2.955652|0.054626|0.063689|2.101739|2.416649|2.027625|3.526536|1.796934|0.050616|1.712232|1.558671|1.612262|2.893811|1.616896|1.548483|1.505779|1.524252|1.589243|1.639806|0.121870|0.102485|0.135746|0.303147|0.500000| |6.650789|6.675544|0.138216|8.697514|17.566497|5.493778|6.892010|7.490491|3.986232|6.168730|3.368544|0.100737|2.981124|3.403825|2.427026|2.729334|2.698874|2.234176|2.843961|0.052430|0.060364|2.085446|2.447289|2.202099|3.901236|1.915317|0.053092|1.839364|1.646487|1.754790|3.068226|1.693539|1.595275|1.534679|1.558019|1.649091|1.725260|0.170355|0.136480|0.226066|0.300898|0.303013|0.500000| |4.559545|6.968065|0.216476|8.734707|5.502354|17.549461|6.901624|8.020585|5.495703|10.537119|3.987472|0.106235|3.186889|3.986628|3.183971|3.585919|4.128771|3.279338|3.737220|0.068335|0.077751|2.546867|2.890833|2.458729|4.050470|2.230300|0.065166|2.132990|1.965359|1.913489|3.457073|1.910961|1.863909|1.779138|1.741201|1.779608|1.864071|0.119573|0.110983|0.110284|0.140454|0.141893|0.122272|0.500000| |4.004768|5.488077|0.144450|8.787438|6.928274|17.555107|7.063525|6.554545|4.193480|7.276790|3.378845|0.096091|2.743632|3.370284|2.637295|3.039240|3.446256|2.848207|3.412507|0.062939|0.073115|2.320545|2.610778|2.121264|3.568291|1.921032|0.055503|1.827085|1.689675|1.672852|3.051349|1.707807|1.666777|1.617356|1.606732|1.643403|1.695129|0.106768|0.094558|0.104692|0.169321|0.210299|0.141469|0.301489|0.500000| |4.470031|6.776656|0.171236|8.720309|6.949326|17.556283|5.514101|9.779709|6.291478|10.134145|4.828418|0.139069|3.575719|4.261887|3.392367|4.174418|4.829827|3.641983|4.281461|0.076324|0.092271|2.915587|3.427068|2.573878|4.272440|2.273223|0.066025|2.109710|1.917722|1.905377|3.565645|2.008413|1.946884|1.884710|1.879199|1.934320|2.001477|0.109803|0.108195|0.116713|0.206441|0.174109|0.140634|0.301334|0.302352|0.500000| |6.748096|6.679217|0.165486|8.689349|6.978299|5.512294|17.581328|6.144424|3.590675|6.163978|2.873321|0.079966|2.605664|3.143967|2.278812|2.438193|2.473123|2.087223|2.577751|0.048177|0.053607|1.863414|2.123576|2.062990|3.598559|1.849589|0.051685|1.831941|1.666150|1.735996|2.928241|1.589542|1.512288|1.437916|1.430731|1.495781|1.580092|0.236546|0.138928|0.169556|0.140973|0.174351|0.207976|0.139708|0.143853|0.122413|0.500000| |4.646018|5.490344|0.143933|8.795019|6.863619|7.137186|17.560519|5.582785|3.420348|5.994553|2.764271|0.077440|2.419418|2.971875|2.227000|2.428861|2.574412|2.190027|2.680559|0.050230|0.056292|1.888628|2.119127|1.932087|3.319922|1.755816|0.049805|1.719323|1.587363|1.608222|2.794551|1.535815|1.482318|1.423131|1.412658|1.458836|1.522730|0.140291|0.104081|0.119765|0.140456|0.206461|0.168062|0.174837|0.218789|0.144126|0.303169|0.500000| |5.750415|7.008044|0.213838|8.727292|5.498645|6.844312|17.535787|6.352821|3.964503|7.318073|3.031390|0.081545|2.688942|3.340681|2.495162|2.641331|2.766918|2.323979|2.784344|0.052035|0.057381|1.978135|2.232170|2.164284|3.686212|1.969783|0.055946|1.958078|1.799562|1.815235|3.078046|1.666702|1.602258|1.516012|1.489025|1.540592|1.631218|0.183684|0.129967|0.131530|0.122225|0.140948|0.140943|0.202591|0.170624|0.139466|0.301307|0.302094|0.500000| |7.146599|9.005603|0.181161|6.544378|6.481962|5.462976|4.427493|26.054365|9.472828|10.878576|7.612176|0.239124|5.922403|5.801257|3.988047|4.814319|4.276905|3.197031|4.019490|0.070971|0.084066|3.074389|3.999226|3.429391|5.963376|2.768837|0.076610|2.540870|2.179352|2.355494|4.284801|2.368155|2.178020|2.063770|2.102044|2.271348|2.426927|0.143155|0.181999|0.207428|0.220992|0.134349|0.164586|0.132300|0.120576|0.172150|0.116388|0.104694|0.111634|0.500000| |3.483373|3.629757|0.095405|2.974978|2.907138|2.873090|2.464382|6.604541|5.614213|8.064023|8.708176|0.224032|17.600328|12.363404|6.101334|6.462793|4.310339|3.499930|4.775269|0.083879|0.093812|4.345503|6.343534|7.111644|13.152903|4.578778|0.117890|3.686653|2.921840|3.418369|7.104437|3.988880|3.323446|3.050122|3.212843|3.801527|4.378793|0.081233|0.106776|0.097228|0.090571|0.070472|0.078398|0.077694|0.069595|0.088819|0.066453|0.061812|0.066922|0.145678|0.500000| |4.635224|4.698521|0.125701|3.502076|3.250644|3.248062|2.897783|8.600055|7.421825|10.562712|8.661506|0.191037|17.614231|12.346339|5.972035|5.710786|4.147782|3.268371|4.154966|0.074020|0.081336|3.489057|4.652380|6.935469|12.359166|4.581131|0.118000|4.046785|3.123432|3.709633|6.574547|3.431050|2.936943|2.627072|2.644708|2.989244|3.473440|0.104161|0.154409|0.122838|0.097907|0.076742|0.088565|0.089484|0.076522|0.097253|0.078497|0.070444|0.079928|0.175771|0.304200|0.500000| |2.572443|2.879726|0.083416|2.494683|2.286933|2.648176|2.155786|4.740315|4.553381|8.420968|5.691569|0.126902|5.834918|12.366877|17.631766|8.688186|6.282670|6.107767|7.444887|0.131837|0.123262|6.819363|7.157628|6.964518|8.796068|6.861967|0.255513|4.721780|4.133048|3.605455|9.663814|5.822415|5.722104|4.833241|4.302881|4.348507|4.955689|0.063864|0.076562|0.067477|0.068240|0.057993|0.059536|0.076774|0.065157|0.081277|0.056167|0.055356|0.061194|0.091298|0.141137|0.129261|0.500000| |3.128549|3.635875|0.110354|3.023623|2.640892|3.230105|2.590106|5.986314|6.339514|13.646107|6.727110|0.136811|6.334130|12.300169|17.617429|8.786620|7.095671|5.721935|6.074276|0.107102|0.107627|4.756105|5.508928|6.168869|8.109947|5.704435|0.195242|4.676442|4.034816|3.537132|7.489335|4.041963|3.886014|3.366925|3.083969|3.162303|3.577748|0.077082|0.094054|0.079061|0.077561|0.065995|0.068082|0.096968|0.077011|0.097970|0.066512|0.065257|0.075018|0.107969|0.135566|0.150785|0.301025|0.500000| |3.182016|4.070442|0.121578|3.686818|3.164348|4.463533|3.018211|6.771082|7.006609|14.679300|6.602843|0.151306|4.673647|6.608555|6.882706|8.791834|17.650910|8.981238|7.617924|0.126899|0.143999|4.859900|5.515054|3.664382|5.516639|3.349463|0.105575|2.925524|2.683833|2.445889|5.031887|2.882673|2.888175|2.742436|2.613818|2.610279|2.733497|0.078649|0.088807|0.081135|0.094390|0.080425|0.077347|0.136084|0.104822|0.146430|0.074149|0.077772|0.086195|0.119213|0.108684|0.113784|0.157635|0.216916|0.500000| |3.028118|3.822090|0.105350|3.658077|3.381459|4.451735|2.900558|6.655197|6.123137|10.108001|6.848743|0.186908|4.515582|5.822959|5.443040|8.810744|17.494645|8.912074|9.438776|0.144703|0.207442|5.692157|6.815531|3.299872|5.177563|2.926392|0.088901|2.517339|2.293771|2.186022|4.604395|2.726493|2.712097|2.683692|2.670722|2.684109|2.711565|0.074105|0.082456|0.080674|0.106425|0.086854|0.081335|0.122606|0.107853|0.159711|0.071834|0.076274|0.079266|0.127178|0.112617|0.106862|0.131944|0.144212|0.304123|0.500000| |2.307272|2.694892|0.078611|2.494199|2.272456|2.839553|2.163957|4.282359|3.953950|7.597199|4.408562|0.107723|3.756741|5.963186|6.528239|6.692723|8.741725|17.623811|12.432236|0.224026|0.181192|6.959244|5.755236|3.606858|5.314205|3.618457|0.121607|3.005380|2.900255|2.465036|5.714390|3.488519|3.825121|3.761629|3.396544|3.155114|3.189088|0.058437|0.065655|0.060514|0.067556|0.059276|0.057579|0.083654|0.071493|0.088655|0.055020|0.057029|0.061551|0.081376|0.094222|0.089424|0.203753|0.179298|0.212332|0.173106|0.500000| |2.278829|2.723110|0.078424|2.644604|2.427285|3.158381|2.278027|4.268422|3.767523|7.065280|4.008726|0.104303|3.231478|4.678895|4.564901|5.448199|8.774116|17.626464|12.360105|0.222938|0.224167|5.575760|4.889297|2.858468|4.414070|2.771820|0.087946|2.402114|2.312676|2.049484|4.468654|2.697031|2.877879|2.920801|2.770993|2.608458|2.575927|0.058051|0.063066|0.060200|0.072479|0.064534|0.060276|0.092218|0.081259|0.100941|0.057060|0.061193|0.064143|0.081421|0.082465|0.078830|0.127861|0.127488|0.212703|0.215615|0.301350|0.500000| |2.151300|2.400365|0.067450|2.190478|2.085717|2.363714|1.895733|3.910719|3.481253|6.084407|4.418627|0.112921|4.188932|6.783714|6.452717|6.565194|5.662820|6.903226|12.410181|0.225044|0.181004|17.654563|8.717840|4.327044|6.431392|4.225706|0.135382|3.198795|2.973165|2.699922|7.289462|5.099203|5.628458|6.107291|5.880713|5.283089|4.957838|0.053927|0.062120|0.058035|0.063191|0.054019|0.054062|0.066756|0.059897|0.073781|0.049447|0.049785|0.052842|0.078375|0.114641|0.094754|0.237259|0.141508|0.126841|0.131467|0.207888|0.142662|0.500000| |2.060009|2.288053|0.062684|2.139207|2.102288|2.304342|1.838366|3.741884|3.178986|5.316597|4.078065|0.114076|3.750955|5.394733|4.573104|5.422412|4.886343|5.576893|12.354904|0.222206|0.224614|17.633936|8.783980|3.485968|5.566760|3.235690|0.096808|2.577392|2.380404|2.286559|5.736478|3.920090|4.074381|4.691262|5.310279|4.974273|4.253806|0.051574|0.058537|0.056743|0.064788|0.054907|0.054438|0.063394|0.059226|0.072860|0.048123|0.048752|0.050386|0.077402|0.108793|0.085907|0.141633|0.104818|0.107504|0.128551|0.143044|0.126441|0.302642|0.500000| |2.710166|3.100568|0.082179|2.851877|2.840641|3.060375|2.327804|5.499634|4.735949|7.177394|7.092943|0.227912|5.509338|6.751135|5.496487|8.784299|6.792431|5.676021|9.376671|0.144027|0.204638|8.919189|17.511708|3.910109|6.338731|3.270074|0.095054|2.656365|2.347050|2.372160|5.403370|3.380411|3.218618|3.287349|3.545943|3.762998|3.661072|0.065660|0.076233|0.075475|0.091463|0.072211|0.072299|0.081629|0.076333|0.101478|0.060513|0.060859|0.062642|0.117702|0.160720|0.118923|0.142180|0.123138|0.139194|0.199177|0.132267|0.127493|0.173129|0.217576|0.500000| |2.632489|2.895667|0.078309|2.556413|2.496506|2.650379|2.142971|5.040620|4.467489|6.998691|6.879965|0.184787|7.011410|9.601835|7.054301|8.715880|5.508807|4.891866|7.639349|0.127356|0.143514|9.042954|17.598705|5.589778|8.794595|4.405977|0.125154|3.314974|2.829332|2.929701|7.346802|4.776920|4.252553|4.189239|4.600405|5.282761|5.413004|0.063911|0.076844|0.072605|0.077947|0.062934|0.065305|0.072471|0.065792|0.084086|0.056547|0.055361|0.058570|0.106230|0.220897|0.139909|0.192304|0.141021|0.122993|0.139116|0.129177|0.107755|0.214673|0.213337|0.303787|0.500000| |2.685832|2.730102|0.081763|2.262038|2.035373|2.228847|2.076596|4.059583|3.512443|6.776501|3.575731|0.083667|4.371284|7.880234|4.930308|3.601069|3.046540|2.798185|3.463469|0.065884|0.064322|2.822031|3.092869|7.176411|10.449881|8.998022|0.214066|17.489118|8.914718|8.883249|10.251967|4.276312|3.723412|2.968073|2.696664|2.889126|3.569429|0.068829|0.085651|0.068484|0.058001|0.051187|0.055332|0.065545|0.055067|0.063740|0.056042|0.052177|0.060571|0.077293|0.105707|0.125718|0.130696|0.146224|0.088222|0.073808|0.085367|0.068966|0.085807|0.069709|0.074805|0.090866|0.500000| |1.892279|1.939586|0.056845|1.702528|1.574703|1.716848|1.583713|2.861440|2.401187|4.521864|2.544212|0.062794|2.907989|4.988627|3.511847|2.747407|2.438238|2.440858|3.160789|0.062851|0.058027|2.580282|2.587947|4.472878|7.010257|6.847060|0.180881|8.777388|17.568513|6.815681|12.443164|5.074465|4.831685|3.597695|3.046453|3.109089|3.802682|0.049417|0.057651|0.049671|0.045074|0.040584|0.042705|0.050025|0.043660|0.049397|0.042723|0.040889|0.045732|0.055925|0.076390|0.078501|0.106855|0.097993|0.068269|0.059836|0.076343|0.061117|0.081791|0.065882|0.062858|0.076304|0.173657|0.500000| |2.018101|2.048691|0.061017|1.780922|1.623514|1.779440|1.679739|2.952752|2.458992|4.731506|2.496491|0.061212|2.832874|4.724944|3.304017|2.609900|2.354865|2.298536|2.897921|0.057099|0.053864|2.304145|2.370054|4.068025|6.482575|5.507454|0.146915|8.806630|17.569648|6.960688|8.537753|3.695006|3.493174|2.791984|2.454733|2.524724|3.005680|0.053271|0.062109|0.052210|0.045898|0.041731|0.044208|0.052385|0.045102|0.050447|0.045449|0.043088|0.049100|0.056944|0.072618|0.079301|0.094936|0.096929|0.067778|0.058088|0.071048|0.058330|0.071018|0.058459|0.058442|0.068694|0.213111|0.301853|0.500000| |2.087369|2.185455|0.065449|1.904625|1.725319|1.945479|1.768961|3.214947|2.767823|5.426940|2.854802|0.068739|3.169084|5.600957|4.207571|3.144168|2.845084|2.839178|3.512822|0.069323|0.063787|2.791174|2.809731|4.643643|6.804348|6.927451|0.222449|8.724146|17.522815|5.476520|9.961565|4.447126|4.450099|3.415916|2.875237|2.878056|3.415945|0.054487|0.063573|0.053852|0.049169|0.044367|0.046337|0.057682|0.049077|0.055848|0.047193|0.045486|0.051706|0.061464|0.079868|0.085343|0.126870|0.125843|0.081958|0.068207|0.091121|0.070927|0.088688|0.069207|0.067566|0.080277|0.213758|0.300595|0.302148|0.500000| |2.462189|2.382852|0.068123|2.001369|1.874512|1.921111|1.840847|3.556647|2.895130|5.156049|3.090765|0.076441|4.010592|6.370567|3.651129|2.969753|2.467707|2.277184|2.981395|0.056996|0.056588|2.502006|2.772849|6.634005|13.792238|6.708396|0.137725|8.730855|5.481169|17.637061|10.524511|4.278237|3.411639|2.791523|2.675982|3.040914|3.901986|0.063012|0.078765|0.065323|0.053840|0.047173|0.052075|0.054771|0.048104|0.055101|0.050807|0.046515|0.052430|0.071083|0.107491|0.118487|0.098575|0.097800|0.068633|0.062267|0.067108|0.056561|0.074493|0.064403|0.068946|0.085701|0.211807|0.139374|0.141803|0.122234|0.500000| |2.199329|2.144137|0.062477|1.830384|1.695230|1.773538|1.719529|3.103895|2.517293|4.641582|2.588417|0.064221|3.124375|4.976493|3.134636|2.554738|2.219769|2.093019|2.701891|0.052428|0.051142|2.202101|2.359778|4.634559|8.356363|5.448845|0.124155|8.864150|6.985992|17.554992|8.710020|3.629504|3.119767|2.553631|2.375002|2.580852|3.169627|0.057630|0.069389|0.057626|0.048056|0.043120|0.046965|0.051231|0.044773|0.050257|0.047362|0.043707|0.049620|0.061050|0.082045|0.091289|0.086372|0.087896|0.062874|0.055910|0.062504|0.052816|0.066122|0.056692|0.059014|0.070600|0.214422|0.170271|0.212235|0.142380|0.301221|0.500000| 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