Version2.0 2020-01-23T07:50:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)OC[C@@H](C[NH+](CCOC)Cc1[nH]c(=O)c2c3c(sc2n1)CN(CC3)Cc4ccccc4)O C35744122 RHF 6-31G(d) (6D,7F) CC(C)(C)OC[C@@H](C[NH+](CCOC)Cc1[nH]c(=O)c2c3c(sc2n1)CN(CC3)Cc4ccccc4)O C01[X(C27H39N4O4S1)] 219 C1 622 COCC[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCN(C3)Cc1ccccc1)C[C@H](COC(C)(C)C)O COCC[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCN(C3)Cc1ccccc1)C[C@H](COC(C)(C)C)O COCC[NH+](C[C@@H](O)COC(C)(C)C)CC1=Nc2sc3CN(CCc3c2C(=O)N1)Cc4ccccc4 InChIKey=AOMATDRCOCQFLB-HXUWFJFHSA-O InChI=1S/C27H38N4O4S/c1-27(2,3)35-18-20(32)15-31(12-13-34-4)17-23-28-25(33)24-21-10-11-30(14-19-8-6-5-7-9-19)16-22(21)36-26(24)29-23/h5-9,20,32H,10-18H2,1-4H3,(H,28,29,33)/p+1/t20-/m1/s1 InChI=1/C27H38N4O4S/c1-27(2,3)35-18-20(32)15-31(12-13-34-4)17-23-28-25(33)24-21-10-11-30(14-19-8-6-5-7-9-19)16-22(21)36-26(24)29-23/h5-9,20,32H,10-18H2,1-4H3,(H,28,29,33)/p+1/t20-/m1/s1/fC27H39N4O4S/h28,31H/q+1 CC(C)(C)OC[C@@H](C[NH+](CCOC)Cc1[nH]c(=O)c2c3c(sc2n1)CN(CC3)Cc4ccccc4)O C01[X(C27H39N4O4S1)] 219 C01 622 COCC[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCN(C3)Cc1ccccc1)C[C@H](COC(C)(C)C)O COCC[NH](CC1=N[C@@H]2[C@@H](C(=O)N1)C1=C(S2)CN(CC1)Cc1ccccc1)C[C@H](COC(C)(C)C)O COCC[NH](C[C@@H](O)COC(C)(C)C)CC1=N[C@H]2SC3=C(CCN(Cc4ccccc4)C3)[C@@H]2C(=O)N1 InChIKey=ATNRIEBOVKDKMJ-ZOSUSCCZSA-N InChI=1S/C27H41N4O4S/c1-27(2,3)35-18-20(32)15-31(12-13-34-4)17-23-28-25(33)24-21-10-11-30(14-19-8-6-5-7-9-19)16-22(21)36-26(24)29-23/h5-9,20,24,26,31-32H,10-18H2,1-4H3,(H,28,29,33)/t20-,24-,26+/m1/s1 InChI=1/C27H41N4O4S/c1-27(2,3)35-18-20(32)15-31(12-13-34-4)17-23-28-25(33)24-21-10-11-30(14-19-8-6-5-7-9-19)16-22(21)36-26(24)29-23/h5-9,20,24,26,31-32H,10-18H2,1-4H3,(H,28,29,33)/t20-,24-,26+/m1/s1/f/h28H 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1904.81 1916.43 1919.67 1924.33 1933.23 1941.41 1964.58 1986.32 1992.23 1994.82 2010.06 2020.61 2021.58 2026.56 2043.48 2049.68 2099.53 2112.72 2136.31 2138.42 2160.23 2184.33 2204.75 2218.16 2235.30 2235.75 2243.24 2244.66 2250.21 2263.40 2270.53 2280.23 2287.15 2294.01 2322.25 2333.04 2334.11 2335.06 2337.96 2346.52 2348.76 2351.79 2354.76 2356.91 2361.21 2364.94 2366.78 2369.76 2371.96 2373.99 2374.31 2379.28 2393.10 2396.31 2404.72 2410.51 2437.20 2443.36 2567.31 2570.46 2607.64 2661.33 2871.81 4473.47 4495.93 4518.52 4599.27 4610.54 4619.19 4620.30 4626.25 4631.94 4638.48 4645.61 4660.13 4666.26 4681.00 4709.00 4711.73 4712.41 4712.62 4714.65 4715.64 4718.24 4720.01 4725.02 4726.45 4729.81 4734.48 4745.83 4814.55 4816.39 4821.76 4822.29 4833.54 4850.56 4861.15 4865.48 4877.84 5152.28 5508.58 5845.70 0.694645 0.728911 0.729855 0.622110 -1959.012776 -1958.978510 -1958.977566 -1959.085311 3.613785D-04 MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE CC(C)(C)OC[C@@H](C[NH+](CCOC)Cc1[nH]c(=O)c2c3c(sc2n1)CN(CC3)Cc4ccccc4)O C35744122 RHF 6-31G(d) (6D,10F) C1 515.269203 |X|Y|Z| 78.674998 52.482742 139.852772 83.273748 20 6 7 16 16 3 1 |36.858105| |12.462445|36.858105| |7.544737|12.461701|36.858105| |7.596991|12.491652|7.593668|36.858105| |7.834352|13.265402|7.811295|8.188623|73.516695| |6.301783|7.759313|6.375453|5.199315|24.372952|36.858105| |4.401300|5.163013|4.397506|4.176450|14.691075|12.505867|36.858105| |4.391634|4.878692|3.917057|4.148775|13.332077|8.980806|17.542556|0.500000| |3.513332|3.845622|3.556575|3.176958|9.197084|7.552877|12.469856|0.244830|36.858105| |2.815903|3.101156|2.913092|2.724301|7.088790|4.979964|7.597401|0.180276|12.676902|53.358707| |2.773841|3.157309|3.015633|2.813985|7.235906|4.894214|7.290663|0.165220|9.365705|25.478372|0.500000| |2.651385|2.867172|2.601608|2.613224|6.487881|4.226423|6.310894|0.182149|7.626961|17.280729|0.259509|36.858105| |2.221980|2.410335|2.234435|2.265423|5.235962|3.249997|4.379624|0.123672|4.950021|10.349018|0.200267|12.491158|36.858105| |2.191430|2.439079|2.309429|2.307654|5.284388|3.240721|4.294876|0.114508|4.707855|9.783965|0.234926|8.150159|13.748109|73.516695| |1.911259|2.115504|2.024474|2.043590|4.439380|2.646274|3.297001|0.089117|3.498914|6.425665|0.148177|5.217462|8.066981|24.048099|36.858105| |2.420111|2.599951|2.523270|2.294430|5.609504|3.868838|4.992775|0.122937|7.738456|17.447926|0.260589|7.632552|6.332488|10.765915|4.413584|36.858105| |2.324570|2.536854|2.564739|2.233194|5.340537|3.647771|4.350578|0.103039|6.078372|10.507403|0.214716|5.055804|4.628322|8.983305|4.011986|12.601839|36.858105| |2.062048|2.206114|2.255719|1.956524|4.492390|3.001396|3.387920|0.083083|4.450493|7.004157|0.139187|3.892016|3.724525|7.007637|3.384555|7.819713|14.086834|53.358707| |1.963315|2.066315|2.088738|1.839560|4.182358|2.779642|3.132702|0.078787|4.110459|6.432331|0.122118|3.775607|3.638275|6.537380|3.197961|7.343881|9.259197|25.944369|0.500000| |1.914002|2.054127|2.148999|1.834974|4.082367|2.665626|2.887051|0.071007|3.545633|5.286082|0.109807|3.086297|3.012299|5.802995|2.943250|5.042520|7.807845|18.419841|0.259951|36.858105| |1.740654|1.842630|1.924993|1.657459|3.606171|2.323754|2.479316|0.062190|2.981613|4.370653|0.089198|2.670154|2.634087|4.963523|2.582714|4.071006|5.444866|11.529629|0.219338|15.987819|73.516695| |2.002268|2.197396|2.347661|1.966322|4.356169|2.814670|3.006071|0.072549|3.547746|5.193180|0.114028|3.000694|2.919961|5.851883|2.980291|4.509234|7.017006|10.955197|0.162037|13.111672|14.187413|36.858105| |1.855855|2.038338|2.217012|1.846619|3.940025|2.476328|2.566018|0.062751|2.883657|4.106114|0.090318|2.481368|2.437752|4.871516|2.565320|3.373028|4.604763|6.885103|0.115064|7.302610|10.909492|13.203854|36.858105| |1.933140|2.164360|2.393401|1.974965|4.160009|2.568256|2.630046|0.063900|2.848781|4.006495|0.090388|2.436636|2.387113|4.849110|2.562682|3.123726|4.104622|5.600498|0.095155|5.136568|7.722495|8.273091|14.192518|36.858105| |2.248920|2.598694|2.870394|2.354989|5.147520|3.197929|3.339404|0.078681|3.560811|5.030538|0.119738|2.954412|2.847595|5.975544|3.051893|3.723771|4.948186|5.967786|0.099020|4.830220|6.838378|7.425886|7.372565|10.912729|388.023441| |2.250124|2.532196|2.703560|2.252646|5.147274|3.358737|3.670264|0.085842|4.317879|6.397415|0.149659|3.515065|3.357713|6.978933|3.421848|5.225500|8.523644|9.874896|0.145971|7.869874|9.524848|13.980639|8.146091|7.728299|78.680712|36.858105| |2.459808|2.772649|2.860286|2.441243|5.878221|3.973611|4.685021|0.106623|5.988977|9.675126|0.238060|4.698211|4.312656|9.032265|4.062244|7.938703|15.021072|11.182611|0.164788|6.651700|8.363868|7.820002|5.201147|4.989110|49.862540|13.855709|53.358707| |1.779011|1.984957|2.215158|1.841112|3.724954|2.240753|2.251901|0.055645|2.368527|3.287567|0.073357|2.067696|2.037597|4.091402|2.208998|2.510636|3.101980|4.245297|0.075412|3.739226|6.038473|5.077023|7.558839|12.668470|47.510059|4.830151|4.919569|36.858105| |1.586370|1.739230|1.913788|1.620572|3.250292|1.955535|1.974905|0.049502|2.098677|2.935682|0.064365|1.875740|1.868304|3.702487|2.027589|2.287045|2.787128|3.969352|0.072105|3.581234|6.114897|4.529342|6.842151|7.892704|33.382527|3.979362|4.211177|13.131484|53.358707| |1.584354|1.714027|1.881776|1.578052|3.203017|1.955777|1.967438|0.049321|2.131141|2.957572|0.063730|1.876911|1.852794|3.612347|1.955498|2.355736|2.896735|4.293195|0.078544|4.043394|7.212528|4.923942|7.681193|6.932284|30.222122|3.995783|4.240235|7.920052|17.824912|36.858105| |1.647900|1.779643|1.928037|1.625367|3.384370|2.102835|2.156250|0.053790|2.402521|3.395406|0.072923|2.120024|2.099905|4.103817|2.204396|2.798846|3.584788|5.594024|0.100240|5.834365|10.585397|7.204012|12.653156|7.681315|33.625822|5.028756|5.136525|6.412157|10.564155|12.468976|36.858105| |1.471765|1.606537|1.771109|1.513162|2.960022|1.754720|1.754605|0.044428|1.834331|2.543871|0.055442|1.654823|1.649231|3.238997|1.788437|1.953399|2.305366|3.248078|0.060233|2.818078|4.893012|3.371479|4.508524|5.110961|25.835390|3.088476|3.442593|7.907305|17.818223|7.855660|5.073620|36.858105| |1.422484|1.562846|1.712793|1.493446|2.878452|1.682431|1.692219|0.043092|1.743951|2.437532|0.053538|1.605917|1.616472|3.199480|1.791751|1.844938|2.142805|2.959550|0.055068|2.494331|4.277944|2.960185|3.733468|4.362727|24.209972|2.825499|3.222603|6.373739|10.455168|5.049770|3.898298|12.567538|36.858105| |1.368272|1.503137|1.624216|1.444629|2.794564|1.631943|1.666783|0.042652|1.722894|2.449596|0.053989|1.627126|1.663372|3.317508|1.889742|1.861146|2.152860|2.975507|0.055523|2.494692|4.283977|2.927018|3.600760|4.088168|23.421548|2.796529|3.219985|5.351548|8.619515|4.421518|3.727697|7.548323|13.677761|36.858105| |1.309593|1.440829|1.546715|1.401620|2.672286|1.542557|1.579311|0.040711|1.613307|2.299412|0.050750|1.548746|1.593872|3.181275|1.834461|1.725862|1.958872|2.671535|0.050218|2.183626|3.736217|2.516834|2.952056|3.333578|20.588052|2.468880|2.924297|4.091607|5.985688|3.357261|2.971041|5.015108|7.903118|13.780269|36.858105| |1.298556|1.430916|1.543967|1.402108|2.627020|1.501249|1.521512|0.039317|1.535094|2.163188|0.047666|1.463437|1.494417|2.965040|1.699766|1.603842|1.800915|2.432502|0.045863|1.962291|3.347335|2.252152|2.602486|2.969968|18.937684|2.245614|2.695274|3.659870|5.110797|2.949009|2.589214|4.424472|6.827369|7.928982|13.718613|36.858105| |1.344206|1.481748|1.618903|1.446378|2.695730|1.539809|1.540449|0.039654|1.549503|2.154469|0.047349|1.447793|1.460117|2.880064|1.627721|1.593054|1.794489|2.422877|0.045589|1.961251|3.342844|2.266158|2.649865|3.068993|19.342741|2.259795|2.696108|3.940006|5.422205|3.112425|2.642651|5.005498|7.895694|6.883618|7.954408|13.780410|36.858105| |1.408524|1.550511|1.709312|1.494391|2.822867|1.629637|1.622239|0.041462|1.646870|2.277981|0.049980|1.512049|1.513795|2.981694|1.666852|1.698751|1.941608|2.644936|0.049485|2.179405|3.721382|2.554612|3.093482|3.632984|21.661899|2.505552|2.925095|5.037353|7.168060|3.909544|3.137549|7.543335|13.739918|7.964832|6.893545|7.936508|13.718419|36.858105| |3.759467|4.703546|4.219130|4.131965|12.580641|7.923218|13.652688|0.259037|8.142013|9.855881|0.241146|6.063183|4.656230|8.957856|3.825330|4.774140|4.413608|4.589999|0.084605|2.931864|4.423442|3.167239|2.723475|2.868294|27.239335|4.028099|7.011949|2.447864|2.873987|2.059237|2.248279|1.869532|1.826786|1.811424|1.725841|1.661550|1.673188|1.751876|73.516695| |17.558374|8.723335|6.906085|5.493433|12.156253|6.670960|4.483586|0.121069|3.751561|3.977746|0.078758|2.695341|2.236932|3.900567|1.902603|2.549233|2.454750|2.980033|0.058045|2.026945|3.279714|2.104716|1.939388|2.000544|16.422086|2.349648|3.499001|1.827649|2.223929|1.649175|1.723643|1.508534|1.444108|1.384724|1.316242|1.299750|1.347982|1.422506|6.549982|0.500000| |17.564646|8.812689|5.494729|6.902612|12.829602|5.819050|4.421808|0.130789|3.493715|3.851610|0.076505|2.749016|2.289491|3.948240|1.934589|2.408931|2.261875|2.727149|0.053431|1.841327|2.985441|1.905174|1.755070|1.815116|14.978109|2.134997|3.215170|1.666853|2.037650|1.495283|1.563856|1.388770|1.347049|1.305047|1.253595|1.239923|1.275433|1.330304|6.599793|0.300385|0.500000| |17.574011|8.837713|6.796565|6.970181|10.070128|4.710305|3.538053|0.097930|2.940337|3.313252|0.067036|2.306079|1.976977|3.484046|1.736120|2.136286|2.075815|2.543635|0.049554|1.757266|2.865884|1.841315|1.730548|1.807829|14.722277|2.044872|2.987371|1.687426|2.057620|1.507675|1.552386|1.415818|1.371371|1.314481|1.261805|1.258536|1.307784|1.367271|5.605337|0.303146|0.301241|0.500000| |6.783322|8.844026|17.574909|6.990392|10.059668|4.739627|3.535978|0.090404|2.965710|3.401634|0.071560|2.271741|1.986595|3.640581|1.824791|2.209293|2.249977|2.744315|0.052238|1.943098|3.133104|2.113979|2.028975|2.190221|18.167585|2.386713|3.376542|2.069157|2.455567|1.771983|1.792945|1.692544|1.642131|1.550501|1.482997|1.492313|1.572932|1.654952|6.090409|0.168618|0.139082|0.199519|0.500000| |5.493248|8.804070|17.560052|6.876483|12.791940|5.935303|4.424383|0.106847|3.574586|4.095987|0.088980|2.660140|2.315260|4.348918|2.150734|2.594421|2.684603|3.184066|0.059467|2.245643|3.545043|2.505569|2.381679|2.627596|23.050161|2.940111|4.189106|2.434780|2.812655|2.002536|2.043619|1.907021|1.857413|1.759801|1.678029|1.678491|1.762041|1.858470|8.149655|0.141316|0.123184|0.139067|0.301348|0.500000| |6.920536|8.720865|17.560113|5.492197|12.095634|6.735108|4.467217|0.107841|3.795605|4.118837|0.085846|2.638088|2.246215|4.105975|2.012142|2.666841|2.740391|3.299260|0.062250|2.312116|3.677172|2.518038|2.364971|2.527260|21.345255|2.881600|4.133846|2.313991|2.723504|1.994973|2.053683|1.838291|1.752767|1.653267|1.558881|1.547368|1.627335|1.736598|7.299960|0.208241|0.141351|0.169684|0.303084|0.300454|0.500000| |6.951126|8.831386|5.514907|17.575323|13.247500|4.884668|4.168847|0.121807|3.145227|3.708857|0.077302|2.695488|2.329799|4.152801|2.068121|2.275713|2.169601|2.586117|0.050014|1.765425|2.843968|1.869146|1.743443|1.846263|15.562533|2.131286|3.182251|1.715387|2.073869|1.487496|1.541424|1.421962|1.405914|1.369888|1.333104|1.329016|1.361662|1.401472|7.207057|0.140924|0.207702|0.172959|0.141732|0.141100|0.122818|0.500000| |5.514033|8.825508|6.966053|17.567647|13.166846|4.895701|4.153738|0.111865|3.159711|3.782435|0.081644|2.652741|2.334838|4.317125|2.162020|2.329914|2.293899|2.718186|0.051750|1.882508|3.007060|2.043655|1.928089|2.089536|18.001299|2.367590|3.473941|1.953238|2.318609|1.640374|1.684755|1.590169|1.582005|1.533153|1.493530|1.497758|1.543060|1.587528|7.865288|0.122801|0.141205|0.141621|0.174323|0.207356|0.140941|0.300960|0.500000| |6.890452|8.817349|6.867422|17.576615|10.285022|4.186818|3.415129|0.094130|2.732585|3.231418|0.067817|2.279375|2.007201|3.632148|1.835319|2.048313|2.011397|2.436740|0.046944|1.697223|2.749509|1.816223|1.726555|1.846800|15.351178|2.050778|2.973689|1.745324|2.103132|1.505421|1.536273|1.456420|1.438801|1.385584|1.347378|1.356343|1.405896|1.450002|5.986399|0.140895|0.169159|0.207902|0.207809|0.167799|0.140786|0.300816|0.301017|0.500000| |6.921871|6.861328|5.593019|4.637975|16.409303|17.533584|8.843296|0.216995|6.823402|6.111787|0.116628|3.929578|3.019155|5.192502|2.413836|3.659774|3.384418|3.904651|0.075338|2.540777|3.999762|2.615959|2.307006|2.350304|20.050296|3.019923|4.798171|2.065404|2.492052|1.854159|1.994732|1.650928|1.573736|1.524531|1.439251|1.400580|1.437952|1.523834|10.150539|0.230341|0.182024|0.139663|0.122618|0.135580|0.172805|0.124676|0.115787|0.108433|0.500000| |5.439366|6.837498|7.003002|4.671319|16.480455|17.545416|8.883631|0.175107|6.991804|6.517399|0.135124|3.843609|3.062785|5.591515|2.594597|3.908792|3.923735|4.396716|0.081437|2.920966|4.476009|3.161439|2.785647|2.919727|26.320347|3.832793|6.034967|2.520336|2.947420|2.169704|2.329231|1.927848|1.832430|1.761046|1.650182|1.604930|1.657807|1.771463|12.653065|0.165473|0.131774|0.120391|0.140209|0.189711|0.228179|0.116269|0.126875|0.108780|0.299838|0.500000| |3.451837|3.564542|3.245448|2.951832|8.152814|6.455368|8.764096|0.219983|17.610134|12.329574|0.181519|7.017006|4.579382|7.264230|3.142779|6.956814|5.197899|5.617457|0.111243|3.282965|5.054209|3.163387|2.605608|2.532347|21.512250|3.647911|6.479431|2.138839|2.625805|1.981201|2.229525|1.700167|1.611237|1.591274|1.491859|1.421310|1.435046|1.523776|10.357350|0.104524|0.097393|0.080431|0.076755|0.087968|0.096979|0.082459|0.079660|0.071576|0.187947|0.159922|0.500000| |3.441001|3.797194|3.728984|3.078143|8.666949|7.236243|8.855878|0.174468|17.667694|12.495096|0.224878|5.618121|4.162169|7.437455|3.232827|7.447525|7.052831|6.923879|0.125344|4.085714|5.959737|4.165817|3.314725|3.258720|29.309463|5.181101|9.863270|2.649675|3.159949|2.379888|2.704584|2.004852|1.881857|1.842138|1.705921|1.619693|1.645914|1.768475|12.331766|0.104221|0.091770|0.081001|0.085898|0.105043|0.114643|0.082321|0.085509|0.074582|0.180451|0.221132|0.299869|0.500000| |2.914811|3.204451|2.819511|2.958879|7.496658|4.704552|7.473945|0.239145|7.253216|12.526527|0.227278|17.705367|8.922917|12.486617|4.800146|5.634189|4.240899|4.532497|0.088599|2.749653|4.256901|2.749630|2.328651|2.334542|20.370947|3.251531|5.728772|2.008822|2.461456|1.792859|1.992385|1.609506|1.572988|1.588412|1.522046|1.450181|1.438303|1.494700|13.113243|0.080658|0.085099|0.069700|0.067928|0.080174|0.077881|0.086172|0.083704|0.070422|0.118303|0.113846|0.179388|0.146703|0.500000| |2.605108|2.724593|2.457738|2.466546|6.032460|3.962326|5.539784|0.168040|6.918207|12.291525|0.180891|17.606875|8.760046|10.343847|4.236106|6.929786|4.533076|5.020200|0.103215|2.919193|4.585165|2.763863|2.301638|2.231877|18.680380|3.129034|5.494665|1.910846|2.387111|1.774477|2.002318|1.555694|1.501707|1.516661|1.441862|1.364748|1.353618|1.415688|8.636987|0.074443|0.075896|0.063041|0.060149|0.068485|0.069868|0.071178|0.068253|0.060369|0.107758|0.099116|0.209556|0.143469|0.300096|0.500000| |2.151856|2.321225|2.122968|2.226888|4.994615|3.001340|3.946526|0.116549|4.158110|7.628345|0.150580|8.963532|17.531885|16.467218|7.259881|4.698377|3.668192|4.182274|0.084068|2.572225|4.076392|2.514879|2.155583|2.131197|17.862108|2.852111|4.774428|1.855246|2.325663|1.686393|1.884012|1.526796|1.507689|1.553395|1.502334|1.417307|1.382385|1.422539|7.446054|0.059481|0.062340|0.053457|0.052869|0.060868|0.058600|0.064537|0.063696|0.054916|0.078007|0.077397|0.109681|0.097621|0.226397|0.203750|0.500000| |2.036160|2.173715|2.040041|2.033984|4.617143|2.888769|3.720733|0.104101|4.381026|8.750584|0.162139|8.732767|17.514393|16.541114|7.077025|6.485580|4.657431|5.350298|0.110569|3.128266|4.933308|2.925934|2.428301|2.328351|19.166126|3.250297|5.566509|1.985968|2.514945|1.851213|2.120130|1.627960|1.586911|1.638565|1.563944|1.457713|1.420939|1.476998|6.781031|0.057491|0.058088|0.050728|0.050815|0.058349|0.057522|0.057841|0.057815|0.050674|0.076182|0.076741|0.117481|0.106109|0.174270|0.217119|0.302682|0.500000| |1.885622|2.111967|2.052719|2.048667|4.394287|2.598155|3.165490|0.083696|3.308368|5.855071|0.140928|4.390775|5.855855|16.863562|17.662612|4.055438|3.966273|4.576194|0.086196|3.020459|4.678102|3.164467|2.762232|2.810042|24.123635|3.682757|5.749377|2.422012|2.999542|2.090111|2.346857|1.935855|1.958940|2.084692|2.030945|1.871414|1.779368|1.816193|6.719524|0.052023|0.052492|0.047807|0.051470|0.061358|0.056516|0.056961|0.060898|0.051253|0.065140|0.071996|0.081271|0.087390|0.115678|0.100261|0.146942|0.145653|0.500000| |1.872351|2.066343|1.953005|2.029728|4.315180|2.516493|3.110542|0.086460|3.180391|5.568486|0.124887|4.788209|7.163025|16.454089|17.565640|3.708843|3.333641|3.898933|0.076164|2.527585|4.008683|2.562217|2.253534|2.270915|19.036644|2.909544|4.608181|1.998168|2.504550|1.770891|1.965302|1.646217|1.660230|1.747819|1.714835|1.604333|1.536159|1.560464|6.379722|0.051305|0.053108|0.047395|0.049183|0.057424|0.053395|0.057696|0.059684|0.050677|0.064037|0.067544|0.080630|0.080607|0.129261|0.110688|0.215147|0.169870|0.299536|0.500000| |1.771601|1.932409|1.860410|1.855930|4.000958|2.407828|2.941164|0.079702|3.215027|5.840031|0.128021|4.686944|7.184860|16.427285|17.547676|4.346929|3.949629|4.730043|0.093324|3.013296|4.774045|2.958115|2.538862|2.479816|20.278997|3.274520|5.192603|2.138961|2.719703|1.946417|2.216608|1.760158|1.754157|1.860036|1.798633|1.653978|1.578474|1.620344|5.823982|0.049360|0.049794|0.044916|0.046878|0.054452|0.051800|0.052115|0.054025|0.046712|0.062054|0.065933|0.082264|0.083552|0.115119|0.111645|0.177654|0.209662|0.299421|0.298916|0.500000| |2.169336|2.320851|2.242183|2.096572|4.932533|3.261791|4.143349|0.106961|5.654948|12.339591|0.210304|7.470532|7.586799|12.372861|5.148068|17.665178|9.003075|9.384412|0.193373|4.664619|6.945269|4.098947|3.145015|2.901988|23.973363|4.562432|8.582355|2.368066|2.981943|2.243454|2.666479|1.880784|1.791532|1.830714|1.708050|1.578753|1.553155|1.644726|7.318565|0.062733|0.060495|0.053770|0.055259|0.064201|0.064939|0.058240|0.059388|0.052321|0.086090|0.090328|0.147680|0.146868|0.148540|0.189611|0.148652|0.248358|0.125710|0.116716|0.148698|0.500000| |2.442429|2.554076|2.468081|2.228338|5.435155|3.806554|4.704983|0.118940|7.458250|12.350150|0.182794|6.502006|5.183864|8.282756|3.612018|17.604067|8.826712|9.637067|0.207772|4.686868|7.048761|4.029782|3.094427|2.835084|23.154408|4.408227|8.162024|2.319268|2.911541|2.238623|2.643856|1.843687|1.728504|1.731058|1.603704|1.497438|1.495334|1.598008|7.435848|0.072619|0.067785|0.059854|0.060340|0.069121|0.073381|0.061585|0.061858|0.055620|0.104633|0.105829|0.219946|0.200488|0.138652|0.190086|0.114171|0.152123|0.092258|0.087697|0.100425|0.302045|0.500000| |1.850364|2.065907|2.351935|1.906327|3.818473|2.288606|2.246862|0.055409|2.335854|3.162947|0.070039|1.990279|1.931778|3.830918|2.046980|2.384063|2.898754|3.931843|0.070480|3.385343|5.502987|4.438834|6.072330|8.931449|42.339534|4.339528|4.579935|17.394102|12.246888|6.841730|5.351700|7.158182|5.688813|4.500914|3.609427|3.407100|3.840676|4.987043|4.299578|0.052932|0.047719|0.049023|0.061441|0.071922|0.068679|0.048897|0.056061|0.050526|0.058724|0.072267|0.058784|0.073017|0.054143|0.051372|0.049104|0.052063|0.061673|0.051925|0.054790|0.061789|0.061942|0.500000| |1.745708|1.964406|2.180435|1.849368|3.688123|2.183128|2.209476|0.054886|2.284129|3.201240|0.072226|2.040500|2.032500|4.128259|2.260450|2.402696|2.909073|3.892345|0.069629|3.308684|5.328412|4.357388|5.788546|8.926615|45.246955|4.393569|4.652526|17.603545|12.509142|5.723274|4.943854|7.151091|7.212687|6.285678|4.879779|4.349672|4.625080|5.782926|4.346775|0.049311|0.045582|0.046078|0.056725|0.067249|0.062259|0.047903|0.055049|0.048687|0.055484|0.067548|0.057060|0.069875|0.055509|0.052017|0.051753|0.054647|0.069824|0.057065|0.060324|0.063585|0.061128|0.302227|0.500000| |1.651042|1.780946|1.979837|1.627177|3.297338|2.018530|1.995864|0.049870|2.153608|2.926898|0.062699|1.849762|1.799393|3.477347|1.860699|2.311377|2.822144|4.141179|0.075999|3.816585|6.752072|4.599276|6.672813|6.334476|29.358797|3.846974|4.139129|7.205404|12.251371|17.410388|8.825137|6.782736|4.488322|3.785005|2.989230|2.725947|2.953259|3.718978|3.677033|0.047995|0.042987|0.043770|0.051958|0.058311|0.058857|0.042367|0.046792|0.043284|0.053375|0.062775|0.055771|0.067401|0.049320|0.048792|0.045578|0.049718|0.054839|0.047064|0.051143|0.060350|0.061681|0.205105|0.144065|0.500000| |1.457480|1.563652|1.703832|1.448596|2.908582|1.765768|1.778241|0.045033|1.921203|2.673052|0.057130|1.721907|1.710604|3.307413|1.807837|2.132586|2.563218|3.829839|0.071711|3.534905|6.558404|4.025884|5.596420|5.035250|24.515148|3.321245|3.670585|5.725662|12.519245|17.601260|8.893665|7.472191|4.854906|4.329394|3.295944|2.881093|3.018771|3.757976|3.289877|0.042085|0.038375|0.038694|0.044878|0.050014|0.049981|0.038104|0.041689|0.038554|0.046844|0.053826|0.050129|0.058890|0.045678|0.045527|0.043530|0.047765|0.053408|0.045758|0.050358|0.057040|0.056747|0.143071|0.128146|0.302213|0.500000| |1.542577|1.661984|1.777974|1.532033|3.172075|1.957982|2.035476|0.051273|2.266866|3.270270|0.070201|2.073911|2.093903|4.103598|2.245201|2.716625|3.422272|5.398927|0.098684|5.529513|10.509348|6.266229|8.948597|6.165292|29.748412|4.522370|4.802873|5.383086|9.223488|8.841382|17.554363|4.719802|3.810765|3.852665|3.073637|2.612816|2.598388|3.024049|3.790338|0.044593|0.040965|0.040385|0.046023|0.052277|0.052132|0.040630|0.044159|0.040209|0.051652|0.059402|0.058701|0.069637|0.053888|0.054424|0.052290|0.059270|0.066595|0.055457|0.063523|0.073598|0.070889|0.122518|0.125148|0.173932|0.221253|0.500000| |1.647528|1.758419|1.900550|1.593815|3.335347|2.091514|2.131609|0.053321|2.405042|3.357511|0.070763|2.094399|2.052712|3.938246|2.095005|2.809213|3.567367|5.783392|0.106055|6.142152|12.257225|6.613748|8.897392|5.824265|29.059476|4.598336|4.917227|4.930140|7.663542|8.830469|17.586121|4.171546|3.271031|3.108524|2.556120|2.273591|2.333185|2.733739|3.874184|0.048257|0.043445|0.043111|0.049149|0.055295|0.056755|0.042068|0.045496|0.041919|0.055801|0.064282|0.062862|0.075574|0.054401|0.055631|0.051136|0.057992|0.060993|0.052082|0.058830|0.073855|0.075369|0.124173|0.109700|0.219763|0.207473|0.303703|0.500000| |1.375536|1.487582|1.626636|1.402219|2.739294|1.626559|1.631003|0.041566|1.714823|2.384784|0.051520|1.562464|1.563208|3.045295|1.689441|1.847457|2.162610|3.094525|0.058118|2.692222|4.797744|3.109110|4.057869|4.265871|22.245225|2.792021|3.164403|5.734326|12.611516|7.487102|4.898783|17.568113|8.952306|6.684700|4.612119|4.012468|4.373633|6.028358|3.062980|0.039239|0.036202|0.036811|0.043298|0.048207|0.046959|0.036791|0.040708|0.037562|0.042838|0.049287|0.044535|0.051807|0.042047|0.041065|0.040286|0.043178|0.050461|0.043285|0.046591|0.049737|0.048770|0.146054|0.144842|0.174432|0.241457|0.132057|0.115206|0.500000| |1.506141|1.641813|1.830510|1.542270|2.993822|1.770452|1.745476|0.044149|1.812859|2.476517|0.053759|1.609322|1.586825|3.094339|1.693509|1.886830|2.211727|3.095271|0.057553|2.653589|4.595428|3.154756|4.113338|4.705247|24.721777|2.934885|3.306585|7.120389|12.254887|6.858572|4.508094|17.430769|8.890963|5.581780|4.184331|3.981888|4.782411|7.336602|3.285549|0.042955|0.039255|0.040435|0.048900|0.054680|0.052964|0.040043|0.044923|0.041453|0.046382|0.054312|0.046774|0.055242|0.043694|0.042162|0.040904|0.043352|0.050593|0.043520|0.046085|0.050052|0.049826|0.215200|0.174179|0.194219|0.177910|0.112060|0.108174|0.303038|0.500000| |1.363675|1.492842|1.602833|1.427509|2.796656|1.646991|1.697044|0.043412|1.775752|2.550404|0.056115|1.689650|1.738681|3.473817|1.986550|1.965029|2.293124|3.215399|0.059970|2.738062|4.742283|3.199262|3.981810|4.338231|24.142802|2.978373|3.399364|5.362072|9.284016|4.863876|4.239885|7.029775|8.920250|17.720028|8.922534|5.640784|4.957723|5.661434|3.270056|0.038468|0.036240|0.036239|0.042278|0.048037|0.045516|0.037750|0.041940|0.037879|0.042828|0.049295|0.045614|0.052783|0.045441|0.043770|0.044868|0.047926|0.060904|0.050623|0.054833|0.054016|0.050646|0.120072|0.165103|0.110044|0.134239|0.127653|0.096038|0.186623|0.140756|0.500000| |1.264618|1.388422|1.476127|1.355357|2.587899|1.492904|1.542161|0.039950|1.577992|2.271154|0.050107|1.542480|1.604653|3.209336|1.876097|1.707882|1.924143|2.625295|0.049599|2.128813|3.652344|2.418538|2.773184|3.059259|19.343100|2.375304|2.850394|3.558287|5.177724|3.028128|2.783161|4.092484|5.631940|8.934270|17.712198|8.905058|5.652762|4.962262|3.000660|0.035251|0.033797|0.033790|0.039243|0.044359|0.041224|0.036010|0.040099|0.036114|0.038729|0.044057|0.040609|0.046025|0.042027|0.039871|0.042138|0.043871|0.057895|0.048802|0.051358|0.047388|0.043974|0.086836|0.115276|0.074613|0.083163|0.081652|0.067023|0.108219|0.096168|0.215396|0.500000| |1.247302|1.372996|1.472155|1.356350|2.516498|1.428343|1.450262|0.037697|1.454395|2.052229|0.045163|1.401639|1.436804|2.844537|1.641788|1.512916|1.678977|2.256804|0.042779|1.798009|3.068393|2.038511|2.304019|2.596720|17.066844|2.049956|2.501421|3.079849|4.237211|2.534776|2.277763|3.540410|4.928276|5.641666|8.896636|17.717441|8.917077|5.641983|2.818255|0.034536|0.033192|0.033651|0.039650|0.044387|0.040745|0.035830|0.040294|0.036519|0.037045|0.042133|0.037492|0.042320|0.038723|0.036334|0.038095|0.038879|0.050160|0.043383|0.044327|0.041534|0.039269|0.080548|0.099908|0.065698|0.069018|0.064093|0.056299|0.091248|0.090620|0.124063|0.214592|0.500000| |1.322083|1.456035|1.593684|1.430281|2.627146|1.489090|1.479932|0.038233|1.476499|2.039103|0.044687|1.377451|1.383704|2.714479|1.530742|1.496920|1.669774|2.243179|0.042385|1.796589|3.062195|2.057134|2.363273|2.716989|17.604331|2.069357|2.502723|3.387034|4.560147|2.724721|2.343308|4.086601|5.631605|4.957381|5.648982|8.919524|17.715400|8.912758|2.850712|0.036706|0.034814|0.035916|0.043340|0.048136|0.044290|0.037349|0.042401|0.038844|0.038686|0.044413|0.038082|0.043418|0.038207|0.035854|0.036567|0.037306|0.046254|0.040400|0.041114|0.040474|0.039182|0.094607|0.107793|0.073385|0.073491|0.063599|0.058422|0.101320|0.113894|0.107602|0.124145|0.214740|0.500000| 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