Version2.1 2020-08-30T22:15:05Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 18-Aug-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+](CCC[NH+]1CCOCC1)Cc2cnc(n2C[C@@H]3CCCO3)S(=O)(=O)C C12303105 RHF 6-31G(d) (6D,7F) C[NH+](CCC[NH+]1CCOCC1)Cc2cnc(n2C[C@@H]3CCCO3)S(=O)(=O)C C01[X(C18H34N4O4S1)] 177 C1 477 C[NH+](Cc1cnc(n1C[C@@H]1CCCO1)S(=O)(=O)C)CCC[NH+]1CCOCC1 C[NH+](Cc1cnc(n1C[C@@H]1CCCO1)S(=O)(=O)C)CCC[NH+]1CCOCC1 C[NH+](CCC[NH+]1CCOCC1)Cc2cnc(n2C[C@@H]3CCCO3)[S](C)(=O)=O InChIKey=KXTRXMXBKBOWKT-KRWDZBQOSA-P InChI=1S/C18H32N4O4S/c1-20(6-4-7-21-8-11-25-12-9-21)14-16-13-19-18(27(2,23)24)22(16)15-17-5-3-10-26-17/h13,17H,3-12,14-15H2,1-2H3/p+2/t17-/m0/s1 InChI=1/C18H32N4O4S/c1-20(6-4-7-21-8-11-25-12-9-21)14-16-13-19-18(27(2,23)24)22(16)15-17-5-3-10-26-17/h13,17H,3-12,14-15H2,1-2H3/p+2/t17-/m0/s1/fC18H34N4O4S/h20-21H/q+2 C[NH+](CCC[NH+]1CCOCC1)Cc2cnc(n2C[C@@H]3CCCO3)S(=O)(=O)C C01[X(C18H34N4O4S1)] 177 C01 477 C[NH+](Cc1cnc(n1C[C@@H]1CCCO1)S(=O)(=O)C)CCC[NH+]1CCOCC1 C[NH](CC1=[CH][N][C]([N]1C[C@@H]1CCCO1)S(=O)(=O)C)CCC[NH]1CCOCC1 C[NH](CCC[NH]1CCOCC1)CC2=C[N][C](N2C[C@@H]3CCCO3)[S](C)(=O)=O InChIKey=LOKOBVAVBLIIBH-KRWDZBQOSA-N InChI=1S/C18H34N4O4S/c1-20(6-4-7-21-8-11-25-12-9-21)14-16-13-19-18(27(2,23)24)22(16)15-17-5-3-10-26-17/h13,17,20-21H,3-12,14-15H2,1-2H3/t17-/m0/s1 InChI=1/C18H34N4O4S/c1-20(6-4-7-21-8-11-25-12-9-21)14-16-13-19-18(27(2,23)24)22(16)15-17-5-3-10-26-17/h13,17,20-21H,3-12,14-15H2,1-2H3/t17-/m0/s1 2816.7109102468 -1615.5559405 1-A 20573.7568 108 369 477 |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| -92.34827 -20.79971 -20.72911 -20.70600 -20.70571 -15.96613 -15.95434 -15.83221 -15.74907 -11.57276 -11.56735 -11.54448 -11.54064 -11.53551 -11.53381 -11.53221 -11.52141 -11.51869 -11.50449 -11.47880 -11.45972 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 5709.9141 32360.2476 36325.1712 0.99999 -0.00513 -0.00165 0.00512 0.99997 -0.00527 0.00168 0.00526 0.99998 1 0.01517 0.00268 0.00238 0.31607 0.05577 0.04968 22.71 24.16 35.27 54.04 63.28 72.43 81.61 92.09 104.93 139.54 141.30 155.30 177.59 185.19 219.28 236.02 257.22 275.83 288.40 308.96 343.97 371.60 392.88 407.07 426.92 456.40 490.80 506.30 531.14 562.30 582.24 628.15 659.89 668.40 670.88 710.32 732.51 748.73 753.89 800.47 823.79 885.85 919.07 955.22 1038.17 1059.80 1108.31 1166.87 1171.33 1203.86 1215.90 1226.64 1261.51 1294.12 1299.28 1345.19 1359.34 1377.17 1400.70 1414.64 1419.01 1426.31 1436.81 1468.08 1497.25 1519.49 1532.02 1570.60 1576.68 1585.52 1587.76 1602.62 1609.85 1621.14 1627.62 1657.14 1684.58 1699.39 1729.13 1748.91 1773.25 1774.71 1788.19 1801.20 1806.89 1846.59 1884.81 1889.72 1897.84 1900.68 1906.09 1930.64 1946.68 1974.46 1984.42 2015.63 2030.20 2042.44 2064.48 2071.56 2083.92 2087.02 2097.69 2123.29 2132.29 2138.60 2146.80 2149.13 2166.42 2168.72 2194.66 2195.50 2209.39 2214.57 2229.42 2235.09 2248.85 2271.17 2275.97 2276.87 2277.66 2283.43 2293.69 2299.07 2301.63 2306.04 2315.65 2333.16 2344.21 2350.06 2352.38 2354.35 2359.15 2365.37 2366.26 2372.45 2375.53 2384.57 2388.66 2391.02 2395.71 2426.78 2525.06 4602.22 4615.29 4617.36 4648.02 4656.01 4673.67 4677.22 4679.40 4695.80 4703.15 4705.31 4712.56 4715.89 4718.58 4724.22 4726.53 4738.04 4750.87 4761.66 4782.64 4792.86 4793.45 4797.03 4816.20 4821.83 4823.78 4836.85 4849.54 4853.25 4863.47 4871.58 4931.58 5285.12 5310.33 0.583003 0.609564 0.610508 0.521605 -1614.972937 -1614.946377 -1614.945433 -1615.034336 2.981821D-04 MUNgauss RevisionA2.0 retrievium 30-Aug-2020 DUDE C[NH+](CCC[NH+]1CCOCC1)Cc2cnc(n2C[C@@H]3CCCO3)S(=O)(=O)C C12303105 RHF 6-31G(d) (6D,10F) C1 402.230078 |X|Y|Z| 53.217213 25.353916 130.760333 56.086421 22 6 7 8 16 4 2 |36.858105| |12.740213|53.358707| |9.375163|25.697178|0.500000| |7.615719|17.328079|0.257744|36.858105| |6.201643|10.196348|0.195119|12.405063|36.858105| |4.220049|6.723990|0.130337|7.625467|12.414774|36.858105| |3.469698|5.105996|0.102249|4.934180|7.489507|12.702610|53.358707| |3.597986|5.024255|0.099053|4.700828|7.092255|9.296224|25.664858|0.500000| |3.193379|4.692701|0.099033|4.185988|6.101620|7.538139|17.146287|0.257797|36.858105| |2.631994|3.728241|0.078045|3.177838|4.215464|4.945786|10.429952|0.197262|12.490339|36.858105| |2.337437|3.341614|0.068927|2.879835|3.630122|4.518082|9.159588|0.167289|7.966887|13.723956|73.516695| |2.410211|3.430476|0.069102|3.029930|3.788098|4.981635|10.413108|0.197439|6.697647|8.220114|24.359268|36.858105| |2.796064|4.102997|0.081516|3.842773|4.923538|7.676043|17.085865|0.258219|7.674232|6.709563|14.184483|12.508351|36.858105| |7.570764|16.833729|0.257899|7.642914|4.900161|3.835911|4.093001|0.081448|2.776759|2.285879|3.746549|2.171131|2.564862|36.858105| |6.257535|10.361262|0.205063|5.012769|3.798836|3.053310|3.444153|0.069075|2.420835|2.042748|3.335637|1.903831|2.184518|12.828586|36.858105| |4.805492|7.837080|0.178767|4.163089|3.390402|2.787726|3.216347|0.063863|2.331248|1.979258|3.222692|1.809465|2.050663|7.435308|14.022355|36.858105| |4.014255|5.866180|0.129133|3.288530|2.804612|2.356288|2.797884|0.056158|2.040375|1.772070|2.894197|1.621973|1.806716|5.184732|8.553966|14.061450|53.358707| |4.262179|5.837226|0.120784|3.250936|2.744512|2.301955|2.735779|0.055567|1.962383|1.715165|2.811005|1.591837|1.772202|5.285623|8.819265|9.078449|20.093535|36.858105| |5.473201|7.455509|0.143652|3.944950|3.169428|2.608755|3.033232|0.061835|2.129358|1.839731|3.017399|1.728367|1.950830|7.474935|13.784049|8.702008|11.724869|14.149930|53.358707| |5.091406|6.389304|0.116135|3.640469|2.953789|2.480399|2.907467|0.060046|2.002405|1.751526|2.898082|1.681948|1.893124|6.017559|7.407845|5.251097|7.166056|7.575651|17.606180|36.858105| |3.941493|5.339721|0.097107|3.292922|2.656993|2.320534|2.714733|0.055600|1.853603|1.630822|2.739973|1.600917|1.806626|5.227264|5.773290|4.396317|5.895501|5.597169|10.392447|12.533530|36.858105| |3.438198|4.797079|0.090327|2.977351|2.437378|2.150837|2.533191|0.051502|1.751246|1.546164|2.602642|1.509870|1.695132|4.694196|5.537940|4.546219|6.371381|6.031059|9.859661|8.921158|17.570690|0.500000| |3.293688|4.302510|0.078697|2.789206|2.333989|2.084373|2.485537|0.051367|1.688435|1.508666|2.553688|1.501805|1.677749|3.842062|4.003523|3.268891|4.468865|4.058577|6.725189|7.450627|12.508304|0.245862|36.858105| |2.892153|3.943260|0.072167|2.673799|2.230747|2.046755|2.432209|0.049881|1.639431|1.467340|2.513011|1.486998|1.668614|3.536600|3.495516|2.921716|3.884830|3.327331|5.361817|5.098115|8.082196|0.192429|12.450891|36.858105| |3.308004|4.718169|0.084276|3.248411|2.601352|2.387297|2.765436|0.056240|1.840991|1.623530|2.783620|1.655264|1.890658|4.448749|4.092007|3.297065|4.165486|3.477080|5.864480|5.293293|8.166073|0.186391|7.952390|12.417816|36.858105| |4.156812|6.011374|0.105332|3.856754|2.973115|2.623805|2.994235|0.060832|2.007869|1.746553|2.953664|1.741709|1.999504|6.284199|5.863140|4.322382|5.323137|4.594632|8.564527|7.985967|13.461582|0.257577|8.187054|8.036258|13.348499|73.516695| |3.286892|4.283688|0.087619|2.543602|2.234018|1.922608|2.343492|0.048012|1.685851|1.505963|2.482857|1.406421|1.540783|3.619314|4.896457|4.962844|9.524868|10.663445|9.418873|5.962717|4.800614|0.147289|3.934966|3.141000|3.042850|6.621164|388.023441| |2.944387|3.897657|0.077827|2.385735|2.075652|1.819591|2.213331|0.045291|1.575044|1.412757|2.353771|1.343128|1.473848|3.388771|4.339222|4.187233|7.202966|7.379454|8.163755|6.016333|5.613018|0.188294|4.732858|3.704940|3.411673|7.244896|94.458044|73.516695| |3.439920|4.228254|0.086153|2.509496|2.252362|1.921471|2.368999|0.049082|1.706254|1.533497|2.512299|1.423092|1.548447|3.373248|4.327207|4.219844|7.332232|7.393540|8.053701|5.598719|4.225761|0.119129|3.684260|2.896718|2.789067|5.967941|94.493612|13.674622|73.516695| |2.710422|3.641338|0.076828|2.222880|1.998579|1.746010|2.154379|0.043832|1.575959|1.418269|2.340501|1.312224|1.425196|2.990213|3.891881|4.384159|8.651052|6.809792|6.342070|3.927653|3.449899|0.106858|2.944305|2.515364|2.469149|5.159525|76.748408|12.885472|12.869337|36.858105| |17.668886|12.242213|0.225182|6.883819|6.925541|4.498106|5.229068|0.113460|3.592862|2.945179|4.532247|2.606683|2.992159|5.529220|4.815573|4.068922|4.759783|3.606618|5.854041|4.018656|3.233303|0.080205|2.804201|2.500136|2.804607|5.993953|20.673564|4.607913|5.504094|2.479160|0.500000| |17.680441|12.325790|0.223590|5.579288|4.707679|3.448858|3.996456|0.084011|2.784961|2.350870|3.728039|2.137782|2.428270|7.127648|7.238762|5.508720|6.506845|5.278423|9.365864|6.062363|4.285000|0.104545|3.499802|2.961233|3.290755|7.520360|28.113595|6.051786|7.542256|3.152364|0.301347|0.500000| |17.643169|12.318926|0.181506|7.012611|5.599015|4.087829|4.583811|0.098527|2.990306|2.508239|4.033311|2.388727|2.780024|6.819088|5.422503|4.099377|4.811091|3.878455|6.916250|5.301871|4.213445|0.098329|3.628500|3.182298|3.668655|8.092264|22.155889|5.136680|5.805865|2.532456|0.298589|0.298762|0.500000| |7.023295|12.446970|0.181533|17.613280|8.750735|6.757701|6.229819|0.125317|3.713240|2.937773|4.850502|2.955753|3.750951|7.002863|4.608336|3.711849|4.127215|3.096707|5.214687|3.754717|3.484483|0.085373|3.010276|2.923165|3.626680|7.506004|17.624900|4.218962|4.362138|2.133685|0.169924|0.144238|0.213404|0.500000| |5.607159|12.473501|0.222473|17.613843|8.816711|7.163580|6.294899|0.116480|4.031245|3.061137|5.034914|2.952979|3.777247|7.369550|4.881017|4.224740|4.454039|3.150571|5.087298|3.378216|3.170304|0.081557|2.665517|2.615427|3.219917|6.712035|17.451727|4.130250|4.209194|2.183946|0.141583|0.126838|0.144408|0.302401|0.500000| |5.758802|9.535851|0.214052|8.833959|17.565724|8.793673|9.050583|0.169750|6.612155|4.415528|6.484902|3.600141|4.445965|4.630712|3.799963|3.549147|3.979357|2.788760|4.267148|2.831426|2.518761|0.065233|2.196776|2.083840|2.395779|4.899669|16.060786|3.673938|4.047419|2.055374|0.185411|0.128779|0.134843|0.173077|0.207373|0.500000| |6.697640|9.017210|0.167098|8.789551|17.566094|8.834719|9.501206|0.215786|5.621020|4.170882|6.297329|3.753072|4.654459|4.422600|3.557733|3.139369|3.639370|2.673517|4.212064|2.962361|2.623842|0.066110|2.346051|2.213739|2.538411|5.127554|15.784419|3.658721|4.060738|1.967083|0.231643|0.137374|0.174302|0.214020|0.173228|0.301909|0.500000| |4.036166|6.274592|0.115944|7.123752|8.808484|17.607215|12.468297|0.221545|5.573232|4.176902|7.190068|4.754414|7.413184|3.760908|2.952440|2.641658|3.065874|2.235963|3.488541|2.498573|2.378474|0.060680|2.162975|2.151527|2.534036|4.861339|13.392841|3.211102|3.341727|1.694794|0.115527|0.091654|0.114539|0.206406|0.184664|0.173081|0.207914|0.500000| |3.750291|6.258947|0.125780|6.781394|8.753977|17.620290|12.442858|0.181778|7.026909|4.659320|7.829488|4.650338|6.996534|3.755729|3.012980|2.812993|3.209026|2.265987|3.453551|2.375312|2.251821|0.058775|2.007777|1.990790|2.332058|4.544215|13.395055|3.177138|3.303007|1.731581|0.107883|0.087934|0.099362|0.161136|0.208532|0.213521|0.173032|0.302159|0.500000| |3.000641|4.575387|0.097985|4.084153|5.547540|7.044548|12.379433|0.181574|17.623079|8.825842|12.673643|5.858926|6.962980|2.773705|2.420699|2.363503|2.795901|1.952372|2.865522|1.959787|1.831165|0.048451|1.657868|1.621164|1.829214|3.543225|11.864060|2.777750|2.968193|1.572684|0.091135|0.073590|0.077669|0.099230|0.115273|0.171518|0.132829|0.145546|0.216996|0.500000| |3.600389|5.211429|0.112758|4.481476|6.846167|6.883850|12.246529|0.224348|17.643023|8.800441|10.179265|5.011893|5.589671|2.978649|2.621900|2.534691|3.012545|2.121293|3.127767|2.138181|1.945139|0.050979|1.758897|1.686450|1.887009|3.710225|12.876265|2.972541|3.281069|1.690364|0.116563|0.086996|0.091013|0.107091|0.116084|0.231593|0.179789|0.141206|0.172078|0.299027|0.500000| |2.446424|3.470171|0.073885|2.872144|3.683358|4.101993|7.593374|0.144002|8.926491|17.644571|16.901864|5.893756|5.007371|2.151977|1.956631|1.925006|2.360533|1.665507|2.402632|1.667511|1.550633|0.041121|1.432063|1.389770|1.528850|2.929057|10.441034|2.439269|2.655920|1.397419|0.075752|0.061731|0.064077|0.073098|0.077796|0.111126|0.100141|0.096926|0.111678|0.215463|0.210304|0.500000| |2.665836|3.658058|0.075831|3.069685|4.066733|4.535757|9.292824|0.205852|8.805697|17.498632|16.533930|7.332420|5.843373|2.231686|2.004651|1.927873|2.369062|1.700318|2.487183|1.755612|1.624906|0.042587|1.513555|1.463650|1.608666|3.074077|10.698149|2.506098|2.749343|1.409698|0.084118|0.066130|0.071111|0.080066|0.080097|0.115973|0.118254|0.110006|0.113191|0.172955|0.214037|0.301376|0.500000| |2.156104|3.077892|0.061856|2.688665|3.212745|4.137622|7.582650|0.144116|5.001038|5.895011|16.887600|17.646642|8.931015|1.992798|1.757268|1.674807|2.054231|1.482435|2.182762|1.567079|1.506867|0.039622|1.421935|1.418933|1.575355|2.916570|9.373517|2.251852|2.361998|1.234154|0.063799|0.053665|0.059753|0.073720|0.073914|0.084852|0.087712|0.113849|0.111413|0.131300|0.109873|0.132154|0.148499|0.500000| |2.428445|3.365945|0.067289|2.930627|3.666121|4.563024|9.276583|0.205947|5.835466|7.331817|16.524765|17.502532|8.803612|2.120625|1.868340|1.764738|2.168234|1.575883|2.333290|1.682971|1.594087|0.041565|1.506204|1.483713|1.640470|3.065024|9.968330|2.378728|2.541661|1.301960|0.073678|0.059803|0.067462|0.080538|0.077470|0.095726|0.105583|0.123928|0.112993|0.134443|0.131336|0.148489|0.220346|0.301394|0.500000| |2.805574|4.077036|0.079056|3.855173|4.697257|7.114038|12.270866|0.225634|5.599231|5.014661|10.164875|8.766821|17.623813|2.584647|2.179834|2.016963|2.424745|1.766156|2.670152|1.932201|1.859746|0.048149|1.741752|1.744650|1.984840|3.690383|10.956414|2.640478|2.752949|1.413418|0.082196|0.067356|0.079454|0.109578|0.104115|0.112514|0.126676|0.229187|0.172071|0.142474|0.125964|0.109919|0.131364|0.209200|0.213019|0.500000| |2.656416|4.011587|0.080592|3.755255|4.599285|7.155929|12.354440|0.181717|6.964201|5.870821|12.698106|8.834582|17.628955|2.557176|2.178950|2.066199|2.465035|1.760537|2.624420|1.854315|1.784435|0.046866|1.647238|1.649816|1.878815|3.527618|10.838327|2.597533|2.697778|1.419393|0.077633|0.064719|0.072707|0.100153|0.107408|0.118808|0.114718|0.186850|0.215673|0.207984|0.142233|0.131520|0.134631|0.215602|0.172967|0.299183|0.500000| |5.599065|12.332965|0.221722|7.425256|4.781207|3.952139|4.144636|0.080431|2.821430|2.305055|3.818051|2.206614|2.634634|17.638599|9.016251|6.839047|6.414589|4.513597|7.765500|4.701599|4.468520|0.117089|3.398822|3.286049|4.197369|9.824641|22.796610|5.429612|5.217530|2.769822|0.125874|0.144415|0.142943|0.182312|0.241366|0.127003|0.114152|0.107168|0.112537|0.080212|0.082676|0.060439|0.061539|0.056597|0.059009|0.073374|0.074532|0.500000| |7.003752|12.159247|0.180985|6.874177|4.501300|3.665211|3.939256|0.079463|2.605806|2.178298|3.613998|2.128213|2.514907|17.675338|8.865384|5.575060|5.961424|4.772361|9.476346|6.761317|6.252289|0.144300|4.554227|4.222157|5.649783|15.237575|24.789143|6.042386|5.835202|2.811674|0.141746|0.178876|0.206578|0.206893|0.177082|0.112818|0.117320|0.104266|0.097732|0.071571|0.076487|0.056507|0.059574|0.054582|0.058189|0.071863|0.069053|0.301485|0.500000| |4.299931|7.369143|0.179215|4.155283|3.457812|2.880671|3.320325|0.064958|2.446575|2.060885|3.351844|1.863623|2.116043|6.416471|8.687154|17.768202|12.239410|6.112853|8.004515|4.098318|3.618069|0.103859|2.810574|2.592690|2.943825|6.566488|28.265083|6.133531|6.180383|3.776506|0.105606|0.129269|0.101663|0.099908|0.122168|0.103318|0.086664|0.074589|0.082622|0.070052|0.073834|0.056071|0.055114|0.047915|0.050014|0.057187|0.059909|0.185504|0.133733|0.500000| |6.352619|7.312042|0.126062|4.135165|3.319582|2.737280|3.185964|0.066505|2.161551|1.881236|3.101562|1.814228|2.054414|6.436994|6.783655|4.719683|6.072787|5.784611|12.423233|17.612945|8.900337|0.175260|6.614714|4.793638|5.192981|13.376221|33.127082|8.071106|8.417956|3.319160|0.132963|0.205346|0.200010|0.122000|0.102349|0.086450|0.094441|0.077239|0.071410|0.058116|0.064292|0.049316|0.052708|0.046687|0.050727|0.058623|0.055333|0.133819|0.215752|0.106327|0.500000| |4.377779|5.297864|0.099575|3.103392|2.627595|2.228502|2.668575|0.055446|1.856041|1.644910|2.719339|1.571947|1.745952|4.589079|5.639000|4.505041|6.652256|7.211927|12.524706|17.687053|8.857360|0.205496|6.972955|4.589232|4.369420|10.231641|50.423718|12.747487|12.884357|4.287044|0.100857|0.147428|0.125273|0.088226|0.080012|0.070756|0.074193|0.062111|0.059190|0.050276|0.055153|0.043719|0.046054|0.040763|0.043906|0.049375|0.047356|0.104487|0.136932|0.099987|0.304392|0.500000| |3.515399|4.410125|0.079569|2.876953|2.429084|2.158420|2.584045|0.053948|1.741981|1.559841|2.634881|1.557763|1.738420|3.775348|3.807383|3.080903|4.162033|3.744336|6.292731|7.113641|8.827845|0.174150|17.519996|8.785416|6.736503|12.361829|25.745905|7.288310|6.375633|2.728585|0.083239|0.102809|0.111427|0.087668|0.074708|0.062878|0.069008|0.062600|0.056969|0.047084|0.050490|0.040935|0.043770|0.040850|0.043703|0.050392|0.046984|0.091117|0.126113|0.074090|0.202724|0.190152|0.500000| |2.921155|3.790513|0.070921|2.455588|2.101123|1.884029|2.276675|0.047076|1.563358|1.408216|2.382735|1.393414|1.541421|3.302374|3.567923|3.040109|4.315017|3.943105|6.094767|6.319251|8.741767|0.218891|17.612062|8.662791|5.690401|10.352181|29.577535|9.479683|6.906217|3.095796|0.070487|0.087590|0.087344|0.072326|0.065471|0.055618|0.058793|0.053875|0.050589|0.042673|0.045304|0.037339|0.039296|0.036726|0.038860|0.044225|0.042074|0.082236|0.103835|0.072877|0.149892|0.187400|0.300763|0.500000| |2.654257|3.570451|0.065433|2.477420|2.105700|1.957001|2.349096|0.048418|1.575634|1.421671|2.447512|1.456215|1.626214|3.078409|2.986537|2.536548|3.371312|2.841193|4.496782|4.180009|5.748840|0.139171|8.681049|17.608138|8.709856|10.445650|19.420199|5.606090|4.598817|2.232713|0.064816|0.074540|0.081990|0.075945|0.066955|0.054363|0.058552|0.057616|0.052613|0.043117|0.044800|0.037319|0.039536|0.038746|0.040531|0.047537|0.044487|0.079993|0.101137|0.063477|0.114348|0.108133|0.217522|0.193579|0.500000| |2.585247|3.577336|0.066763|2.427092|2.045765|1.890568|2.260266|0.046100|1.538387|1.382063|2.372205|1.395800|1.558456|3.210465|3.262773|2.820816|3.813899|3.227004|4.980480|4.462370|6.834431|0.192117|8.828223|17.580791|8.791271|11.496400|22.143546|6.738381|4.974557|2.548559|0.062799|0.074091|0.077092|0.072315|0.066956|0.053699|0.055970|0.054784|0.051608|0.042514|0.043895|0.036559|0.038158|0.037133|0.038543|0.045012|0.043070|0.084813|0.102400|0.070051|0.112135|0.114663|0.174117|0.218634|0.302501|0.500000| |3.385593|4.778995|0.083884|3.420091|2.740846|2.543890|2.935502|0.060007|1.921354|1.694469|2.918175|1.754860|2.017095|4.298967|3.746365|3.020457|3.766229|3.096737|5.219783|4.663384|6.189336|0.139903|6.392036|8.713680|17.578570|16.617158|19.312396|5.253364|4.556052|2.231684|0.080276|0.090760|0.107641|0.110209|0.092898|0.068767|0.074888|0.076544|0.068252|0.052720|0.054378|0.043978|0.046775|0.046408|0.048477|0.059572|0.055336|0.112524|0.155242|0.076074|0.136986|0.108684|0.174206|0.132078|0.221587|0.175608|0.500000| |2.971213|4.380783|0.079769|3.079187|2.477957|2.316035|2.681731|0.053965|1.793411|1.582334|2.730398|1.619780|1.852215|4.142030|3.815524|3.190092|4.004264|3.235968|5.252757|4.371497|6.280765|0.164302|5.819096|8.682472|17.607794|16.488425|20.073996|5.623405|4.523657|2.366541|0.071074|0.081714|0.089113|0.093872|0.087480|0.063860|0.066125|0.068145|0.063908|0.049998|0.050723|0.041518|0.043241|0.043062|0.044262|0.053871|0.051683|0.114805|0.138772|0.080865|0.116553|0.102521|0.137180|0.129200|0.188109|0.223837|0.301040|0.500000| |2.577987|3.565891|0.075341|2.200315|1.963070|1.730746|2.125709|0.042962|1.554222|1.395740|2.314794|1.297728|1.413788|2.991796|3.882811|4.500744|8.813687|6.388465|6.082473|3.722680|3.430096|0.109677|2.892839|2.535535|2.510516|5.218242|57.486089|11.973596|9.600485|17.653625|0.065272|0.081661|0.067106|0.058597|0.060969|0.056050|0.053091|0.046718|0.048103|0.043402|0.046041|0.038225|0.038316|0.034009|0.035593|0.038941|0.039354|0.078730|0.077830|0.109732|0.087108|0.108400|0.073198|0.083943|0.062101|0.072521|0.062426|0.068016|0.500000| |2.422439|3.213176|0.067184|1.998942|1.817087|1.602923|1.995641|0.040749|1.458752|1.324750|2.193639|1.231244|1.328824|2.600270|3.246342|3.524558|6.379740|5.117029|5.253674|3.473006|3.121276|0.095812|2.778525|2.379317|2.286960|4.661960|58.945171|11.790577|11.779733|17.593884|0.062215|0.077295|0.063769|0.053779|0.054400|0.051671|0.050031|0.043408|0.044042|0.040329|0.043301|0.036285|0.036700|0.032263|0.034036|0.036684|0.036686|0.067171|0.069150|0.086387|0.082908|0.107794|0.071908|0.082927|0.059382|0.067347|0.057708|0.060827|0.297969|0.500000| |2.791437|3.738780|0.080504|2.267927|2.065763|1.791954|2.221424|0.045186|1.641671|1.476422|2.420055|1.348097|1.459925|2.983753|3.876447|4.531938|8.993599|6.394727|6.047121|3.643491|3.122530|0.093803|2.667356|2.299855|2.297246|4.808338|57.447951|9.604734|11.937865|17.658717|0.071933|0.090774|0.071080|0.059693|0.061709|0.059778|0.056486|0.047872|0.049367|0.045486|0.049271|0.040596|0.040765|0.035100|0.037145|0.039977|0.040363|0.076781|0.076471|0.110594|0.088289|0.108556|0.070029|0.076441|0.057244|0.063947|0.058518|0.061182|0.296878|0.297869|0.500000| 1613.759318 -9379.523374 3523.543558 -190.046580 -4432.267078 2816.711113 -1615.555965 2.001113 407B000000000000 43D04512F417A582 43531B189B1E1DF4 422779F1AFA00001 C05B000000000000 4389B610375156E5