Version2.0 2020-03-06T08:24:39Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 27-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1cccc(c1OCC)CC(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@H]2c5ccc(cc5)SC C63491765 RHF 6-31G(d) (6D,7F) CCOc1cccc(c1OCC)CC(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@H]2c5ccc(cc5)SC C01[X(C30H33N2O3S1)] 201 C1 610 CCOc1cccc(c1OCC)CC(=O)N1CCC2=c3c(=[NH+][C@H]2[C@@H]1c1ccc(cc1)SC)cccc3 CCOc1cccc(c1OCC)CC(=O)N1CCC2=c3c(=[NH+][C@H]2[C@@H]1c1ccc(cc1)SC)cccc3 CCOc1cccc(CC(=O)N2CCC3=C4C=CC=CC4=[NH+][C@H]3[C@@H]2c5ccc(SC)cc5)c1OCC InChIKey=KQBMYJCYGBICJB-WDYNHAJCSA-O InChI=1S/C30H32N2O3S/c1-4-34-26-12-8-9-21(30(26)35-5-2)19-27(33)32-18-17-24-23-10-6-7-11-25(23)31-28(24)29(32)20-13-15-22(36-3)16-14-20/h6-16,28-29H,4-5,17-19H2,1-3H3/p+1/t28-,29+/m1/s1 InChI=1/C30H32N2O3S/c1-4-34-26-12-8-9-21(30(26)35-5-2)19-27(33)32-18-17-24-23-10-6-7-11-25(23)31-28(24)29(32)20-13-15-22(36-3)16-14-20/h6-16,28-29H,4-5,17-19H2,1-3H3/p+1/t28-,29+/m1/s1/fC30H33N2O3S/h31H/q+1 CCOc1cccc(c1OCC)CC(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@H]2c5ccc(cc5)SC C01[X(C30H33N2O3S1)] 201 C01 610 CCOc1cccc(c1OCC)CC(=O)N1CCC2=c3c(=[NH+][C@H]2[C@@H]1c1ccc(cc1)SC)cccc3 CCOc1c(cccc1OCC)CC(=O)N1CCC2=C3[C@H](N[C@H]2[C@@H]1c1ccc(cc1)SC)C=CC=C3 CCOc1cccc(CC(=O)N2CCC3=C4C=CC=C[C@H]4N[C@H]3[C@@H]2c5ccc(SC)cc5)c1OCC InChIKey=URCRKWMUYJEQLS-ZJGIAAPESA-N InChI=1S/C30H34N2O3S/c1-4-34-26-12-8-9-21(30(26)35-5-2)19-27(33)32-18-17-24-23-10-6-7-11-25(23)31-28(24)29(32)20-13-15-22(36-3)16-14-20/h6-16,25,28-29,31H,4-5,17-19H2,1-3H3/t25-,28-,29+/m1/s1 InChI=1/C30H34N2O3S/c1-4-34-26-12-8-9-21(30(26)35-5-2)19-27(33)32-18-17-24-23-10-6-7-11-25(23)31-28(24)29(32)20-13-15-22(36-3)16-14-20/h6-16,25,28-29,31H,4-5,17-19H2,1-3H3/t25-,28-,29+/m1/s1 4058.6929530984 -1886.0517059 1-A 21221.4421 133 477 610 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0.2570 0.4478 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 6 6 8 6 6 6 6 6 6 8 6 6 6 6 8 7 6 6 6 6 6 6 6 6 6 7 1 6 1 6 1 6 6 6 6 6 6 16 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 13208.2899 27070.5348 36135.4748 0.99997 0.00788 0.00056 -0.00788 0.99994 0.00697 -0.00050 -0.00698 0.99998 1 0.00656 0.00320 0.00240 0.13664 0.06667 0.04994 14.01 21.80 30.10 41.94 49.53 55.90 69.86 74.12 81.33 91.78 112.67 131.41 145.22 155.77 164.55 192.81 205.37 216.13 236.32 259.61 312.85 316.55 337.62 355.05 367.51 381.51 394.26 405.35 413.74 424.25 462.20 495.22 499.70 508.41 526.99 564.13 581.27 610.93 620.77 652.89 671.76 714.92 729.81 743.80 783.15 812.30 825.05 839.76 848.38 865.89 876.59 879.32 900.45 933.88 951.14 965.58 997.88 1014.80 1051.46 1072.26 1111.78 1135.92 1147.92 1157.66 1179.76 1209.29 1215.13 1232.00 1240.22 1274.87 1289.61 1298.89 1301.17 1321.92 1352.40 1357.40 1369.90 1379.67 1398.25 1413.03 1437.06 1439.93 1449.39 1496.99 1518.45 1533.63 1549.55 1557.25 1572.45 1573.07 1575.87 1579.01 1592.36 1602.94 1610.41 1645.28 1659.28 1663.52 1682.18 1697.62 1720.57 1730.95 1734.02 1757.01 1762.24 1779.74 1795.34 1810.44 1813.24 1827.50 1835.46 1858.24 1865.72 1866.64 1869.46 1887.20 1905.03 1911.63 1939.79 1942.23 1951.26 1974.17 1987.11 2028.28 2042.40 2049.30 2062.49 2075.88 2087.59 2102.35 2111.04 2134.17 2166.73 2171.84 2184.82 2200.27 2208.56 2217.84 2224.98 2248.57 2264.35 2273.75 2281.43 2289.23 2293.93 2315.75 2323.98 2329.51 2342.31 2343.92 2351.28 2357.80 2363.86 2365.48 2367.84 2387.67 2399.75 2417.12 2421.00 2422.92 2504.21 2527.49 2539.73 2580.43 2596.66 2599.69 2657.17 2850.32 4605.28 4618.73 4623.54 4624.44 4632.03 4632.10 4653.07 4655.76 4678.83 4694.57 4708.97 4715.83 4728.67 4730.77 4732.80 4735.78 4744.25 4767.46 4780.86 4785.89 4819.35 4829.42 4837.51 4857.74 4868.81 4876.35 4890.81 4905.17 4905.42 4910.16 4911.63 4917.02 5558.62 0.618211 0.649955 0.650899 0.550214 -1885.433495 -1885.401751 -1885.400807 -1885.501492 3.376991D-04 MUNgauss RevisionA2.0 retrievium 06-Mar-2020 DUDE CCOc1cccc(c1OCC)CC(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@H]2c5ccc(cc5)SC C63491765 RHF 6-31G(d) (6D,10F) C1 501.221190 |X|Y|Z| 116.862687 78.674783 37.076901 69.856199 27 6 7 25 2 |36.858105| |12.577907|36.858105| |8.071447|13.510097|73.516695| |5.231602|7.973818|25.179090|36.858105| |4.399561|6.692675|14.002755|13.748267|36.858105| |3.338420|4.501665|9.241813|7.925433|13.726098|36.858105| |2.976138|3.782104|8.206194|6.841317|7.930242|13.823845|36.858105| |3.194745|3.969347|9.389623|7.889444|6.865378|7.954311|13.703325|36.858105| |4.082522|5.233897|14.538865|13.618241|7.934012|6.891944|7.936493|13.773392|36.858105| |4.024718|4.645147|12.560624|7.927872|5.214365|4.620285|5.248609|8.087998|14.008384|73.516695| |4.035269|4.384249|11.167134|6.155469|4.362659|3.839860|4.177813|5.684886|8.040137|23.883348|36.858105| |3.494893|3.520893|8.111179|4.293720|3.302314|2.995296|3.257899|4.206188|5.230334|14.308679|12.579490|36.858105| |2.670402|3.112852|7.029883|5.029330|4.445371|5.025732|7.528864|12.608655|7.647262|12.277864|5.234867|4.286344|36.858105| |2.553219|2.892204|6.399304|4.298055|3.769733|4.075001|5.423720|7.555812|6.027745|11.030065|4.556575|4.137878|12.505377|36.858105| |2.616937|2.983647|6.488569|4.346727|3.895007|4.189966|5.335484|6.742673|5.689312|9.870978|4.016215|3.659510|7.981936|15.980651|73.516695| |2.283672|2.495857|5.389449|3.413990|3.003608|3.164058|3.948909|5.079672|4.493780|8.987009|4.136716|4.134399|7.659680|13.609049|15.004652|53.358707| |2.005967|2.183343|4.606126|2.909381|2.645720|2.845206|3.541686|4.281573|3.686224|7.063243|3.522784|3.517519|6.429788|7.791468|9.906155|17.848896|36.858105| |1.795868|1.957526|4.024219|2.543353|2.397839|2.631027|3.230435|3.626759|3.082858|5.627672|2.801842|2.761926|4.961908|5.987196|8.888306|10.456111|12.243600|36.858105| |1.744299|1.878120|3.820738|2.368038|2.224200|2.392406|2.843709|3.171114|2.809705|5.207091|2.574503|2.601066|4.041288|5.259009|8.680016|9.274699|7.698235|12.773351|36.858105| |1.569323|1.669225|3.339066|2.034647|1.925763|2.051157|2.371301|2.588019|2.350109|4.358859|2.207104|2.260990|3.139851|3.847218|6.578942|6.411240|5.228631|7.339101|14.038082|36.858105| |1.415416|1.499532|2.968005|1.799711|1.720578|1.835112|2.097739|2.249428|2.048914|3.771292|1.952990|1.998446|2.681180|3.094316|5.245623|4.972559|4.233418|5.720326|7.417965|13.212681|36.858105| |1.314121|1.380470|2.704493|1.621541|1.553640|1.641817|1.844475|1.963467|1.818374|3.352268|1.750763|1.804365|2.277769|2.600488|4.495425|4.082717|3.317562|4.102224|5.134068|7.959866|14.198256|36.858105| |1.322196|1.380136|2.693544|1.601256|1.528091|1.598972|1.778869|1.899024|1.783866|3.308197|1.719927|1.786547|2.169039|2.518038|4.453006|3.924875|3.026070|3.571741|4.650651|6.884831|7.864000|13.169619|36.858105| |1.431907|1.494415|2.930077|1.740015|1.648587|1.716821|1.913136|2.062002|1.947139|3.635188|1.864424|1.944365|2.355509|2.821939|5.081631|4.429165|3.269389|3.796082|5.295492|7.654967|6.610123|7.710946|14.065614|36.858105| |1.578141|1.662946|3.305864|1.986748|1.870445|1.961481|2.226374|2.433215|2.266269|4.242584|2.137804|2.217704|2.855295|3.564739|6.390359|5.790775|4.233466|5.112081|8.443613|13.198390|7.641389|6.813407|8.070867|13.434368|36.858105| |1.753569|1.852535|3.717283|2.236302|2.080920|2.167526|2.469214|2.744358|2.575121|4.865469|2.392291|2.483267|3.216522|4.253088|7.915571|6.913349|4.556782|5.138112|8.308295|8.441007|5.292297|4.655577|5.257476|7.714710|14.502943|53.358707| |1.781207|1.866411|3.720645|2.210010|2.049496|2.106629|2.360217|2.617121|2.509890|4.765535|2.340992|2.446934|2.974408|3.887101|7.475322|6.053253|3.855129|4.120063|5.844525|5.912929|4.229980|3.945062|4.632940|6.791991|9.253018|25.995441|0.500000| |1.919316|2.062826|4.226769|2.604089|2.405864|2.543266|2.997013|3.414924|3.103700|5.847429|2.794750|2.844225|4.230899|6.144741|11.127443|10.644368|6.509783|7.399775|12.736118|8.186881|5.071361|4.098275|4.148915|5.191815|8.359531|17.932858|0.244858|36.858105| |1.998562|2.178801|4.459201|2.792716|2.614611|2.801764|3.323106|3.719546|3.312855|6.030930|2.805949|2.769588|4.491165|6.701659|13.868876|9.594745|5.648342|6.486176|8.887130|6.240224|4.298937|3.568979|3.612127|4.402306|6.349661|12.392103|0.206260|17.584336|0.500000| |2.148475|2.294168|4.827329|2.945557|2.614119|2.696324|3.194947|3.874892|3.645336|7.339888|3.467475|3.653618|4.967725|7.736601|12.395648|17.727995|7.884323|6.456944|7.725843|5.561961|4.010125|3.353557|3.370334|4.027470|5.556825|10.238083|0.180059|12.241126|0.243926|36.858105| |1.999408|2.103586|4.379306|2.626094|2.337989|2.396269|2.797509|3.343030|3.193062|6.504945|3.246207|3.552929|4.231645|5.754953|8.986734|12.779312|7.692431|6.149853|7.345417|5.809732|4.287982|3.596026|3.593473|4.236577|5.724195|9.499706|0.165577|8.966004|0.175063|17.580445|0.500000| |2.366886|2.482389|5.225088|3.081775|2.672036|2.657497|3.033271|3.682375|3.722659|7.784181|3.618522|3.936958|4.274849|6.191678|11.399229|10.176895|5.019345|4.286498|4.946275|4.099541|3.164281|2.807890|2.938022|3.550408|4.489598|8.400345|0.177340|7.349416|0.182422|12.539448|0.253511|36.858105| |2.455459|2.585734|5.346239|3.140907|2.762927|2.728775|3.039838|3.568395|3.644619|7.240787|3.291166|3.426963|3.862586|5.402857|11.586239|7.452439|3.960015|3.643390|4.214286|3.612157|2.840526|2.574959|2.742283|3.336574|4.080944|7.701375|0.177992|6.221724|0.180120|7.393319|0.158014|13.672493|36.858105| |2.575526|2.632429|5.316673|2.991353|2.621450|2.513406|2.695721|3.102502|3.310742|6.609127|3.103671|3.287994|3.193724|4.066646|8.379994|5.506400|3.134619|2.890547|3.251259|2.921465|2.400134|2.235207|2.404343|2.874832|3.308326|5.797125|0.136998|4.336054|0.123842|4.971186|0.118850|7.902214|13.817089|36.858105| |2.605720|2.572364|5.177420|2.815895|2.430632|2.293264|2.437625|2.826496|3.095173|6.426469|3.170009|3.551578|2.914193|3.548716|6.818633|4.990080|2.921863|2.627418|2.898406|2.651020|2.228710|2.095574|2.248694|2.642670|2.965850|4.965864|0.114477|3.667131|0.099901|4.402731|0.112995|6.777767|7.892945|13.658620|36.858105| |2.506691|2.475974|5.080087|2.778989|2.371819|2.253251|2.437127|2.886815|3.149812|6.819971|3.469283|4.145445|3.083851|3.753816|6.794544|5.616694|3.280292|2.840945|3.107321|2.826289|2.374261|2.214432|2.351837|2.744433|3.111967|5.142195|0.114420|3.865609|0.100391|5.033576|0.136534|7.868647|6.886389|7.967807|13.731119|36.858105| |2.392574|2.434514|5.100041|2.895471|2.473957|2.404211|2.682746|3.250484|3.430880|7.511410|3.730552|4.423345|3.674292|4.735095|8.218240|7.755618|4.275318|3.553837|3.927654|3.448031|2.804908|2.549396|2.672301|3.147884|3.743400|6.368228|0.136033|5.052995|0.124699|7.659188|0.210441|13.742966|8.001303|6.931416|7.927065|13.745676|36.858105| |2.579187|2.452945|4.722832|2.490520|2.187971|2.034739|2.099033|2.360601|2.608152|5.244176|2.690573|2.970966|2.358894|2.722443|5.205111|3.738713|2.301583|2.113668|2.294804|2.151864|1.867014|1.788083|1.922441|2.211312|2.388519|3.817987|0.087183|2.763593|0.076411|3.124805|0.082306|4.160010|4.755363|7.052355|10.751168|6.786798|4.672462|388.023441| |2.497113|2.307945|4.429842|2.296157|2.005214|1.856311|1.912983|2.160016|2.404443|4.929580|2.665881|3.078860|2.173551|2.434574|4.473038|3.415526|2.157312|1.950975|2.081010|1.966512|1.738116|1.671025|1.779791|2.007403|2.143589|3.323961|0.073849|2.420532|0.065483|2.787808|0.076277|3.534762|3.641441|4.616539|6.746768|6.194576|4.277160|74.990211|36.858105| |17.580751|8.865923|12.949293|4.901516|4.026840|3.148119|2.882447|3.153850|4.034967|7.375019|4.040609|3.650456|2.686226|2.646276|4.882311|3.241506|2.061046|1.842920|1.812173|1.631964|1.462262|1.360526|1.378407|1.503375|1.657553|2.528607|0.052873|2.022113|0.058434|2.278991|0.058727|2.573505|2.705282|2.910598|2.978675|2.813815|2.623551|21.323752|2.877970|0.500000| |17.574682|8.858091|12.909016|4.855697|4.012303|3.126861|2.850900|3.108813|3.973819|7.212769|4.370179|3.801899|2.644557|2.495828|4.447935|3.083853|2.009054|1.780350|1.717584|1.546973|1.401452|1.300411|1.303603|1.405808|1.547732|2.327369|0.048019|1.873156|0.053605|2.116895|0.055326|2.312982|2.345823|2.439829|2.512015|2.477691|2.375975|17.556337|2.463661|0.300732|0.500000| |17.560829|8.884414|10.243628|4.238916|3.845519|3.005630|2.653621|2.769981|3.382670|5.846274|3.292141|2.924082|2.347421|2.253815|4.126817|2.765643|1.807359|1.640049|1.598993|1.451069|1.317341|1.229797|1.239015|1.336915|1.462003|2.196665|0.045620|1.749121|0.050630|1.928350|0.050091|2.110666|2.202759|2.320372|2.340943|2.236021|2.127826|16.831207|2.295078|0.300463|0.300739|0.500000| |8.846130|17.556634|16.535831|7.155186|6.818704|4.641457|3.795173|3.843923|4.828601|7.440686|3.757281|3.113365|3.012605|2.860743|5.400086|3.327724|2.130261|1.941259|1.879595|1.673712|1.499681|1.383540|1.388700|1.508476|1.676931|2.551958|0.052726|2.079166|0.061756|2.274177|0.057429|2.471268|2.639187|2.702151|2.583322|2.430375|2.382413|17.646252|2.274403|0.212078|0.173327|0.212698|0.500000| |8.848706|17.551862|16.513041|7.033814|6.760157|4.579033|3.728334|3.768642|4.734061|7.287080|4.024841|3.210026|2.957712|2.676190|4.833672|3.160888|2.074825|1.869949|1.775920|1.583392|1.435121|1.321162|1.312975|1.410739|1.564419|2.347069|0.047939|1.919662|0.056176|2.114860|0.054281|2.239862|2.304198|2.314786|2.262676|2.205612|2.194342|15.336239|2.053815|0.173429|0.212264|0.212546|0.300845|0.500000| |4.685873|7.442822|12.536746|8.903441|17.769835|8.947217|5.659143|4.952282|5.636827|7.466922|3.711439|2.922067|3.555867|3.128540|5.791554|3.512748|2.304055|2.117619|1.987754|1.747685|1.574962|1.435435|1.417293|1.524040|1.709174|2.571259|0.052028|2.143119|0.064384|2.302534|0.057846|2.375207|2.478474|2.402717|2.246987|2.172416|2.226833|14.759419|1.910302|0.114891|0.115355|0.118251|0.225161|0.228897|0.500000| |2.982046|3.905775|7.456587|5.649797|8.940780|17.726307|8.938799|5.650466|4.962561|6.515612|3.170181|2.565599|4.088852|3.441081|6.340346|3.760279|2.543819|2.415603|2.208176|1.919350|1.736600|1.562710|1.519909|1.621271|1.834877|2.729504|0.054175|2.318691|0.070985|2.401776|0.059861|2.356117|2.434108|2.259487|2.063000|2.016906|2.138097|13.211458|1.697197|0.077809|0.077468|0.076781|0.114337|0.113333|0.216995|0.500000| |2.549856|3.127398|6.510308|4.935457|5.642040|8.936408|17.715996|8.896061|5.644861|7.535967|3.518790|2.872402|6.955806|5.153657|8.930224|5.249909|3.618125|3.438140|2.962247|2.464592|2.196880|1.917488|1.829432|1.951801|2.275278|3.387285|0.065279|3.032390|0.093986|3.120374|0.076290|2.870304|2.860846|2.508761|2.259328|2.265957|2.516155|13.849568|1.776448|0.068982|0.068253|0.064278|0.087816|0.086404|0.124462|0.215270|0.500000| |3.472540|3.842531|9.217556|5.504005|4.201524|3.875871|4.336751|5.847156|7.242002|16.502565|17.523933|8.832046|5.606531|4.474545|6.759359|5.580898|3.679603|2.895472|2.582038|2.207447|1.974743|1.758739|1.705923|1.829131|2.097894|3.145639|0.061970|2.718909|0.075505|3.318583|0.087421|3.292049|2.962376|2.742301|2.765582|3.034165|3.335873|16.795788|2.344115|0.094098|0.104449|0.081239|0.092762|0.102793|0.098890|0.089480|0.103142|0.500000| |4.981271|5.328854|13.910453|6.641096|4.608581|3.826507|3.909290|4.945553|7.159243|16.500093|17.638899|8.851509|4.272812|3.765600|6.180726|4.622509|2.950743|2.438354|2.268145|1.975831|1.765170|1.598771|1.577557|1.704493|1.929293|2.922056|0.058895|2.458524|0.069206|2.951933|0.076990|3.128618|2.950419|2.869164|2.945318|3.130989|3.231629|18.508286|2.597725|0.133693|0.157755|0.108858|0.119259|0.135675|0.112261|0.088490|0.090852|0.301401|0.500000| |2.978013|3.054440|6.882128|3.846710|3.060807|2.880646|3.234686|4.221485|4.873229|12.898171|8.853214|17.559516|4.680130|4.684429|7.056486|6.825645|4.224718|3.166911|2.965049|2.546779|2.230444|1.993829|1.965090|2.144409|2.477280|3.783268|0.075161|3.232455|0.085412|4.348804|0.120099|4.548242|3.721116|3.439712|3.694903|4.518153|5.207842|21.097009|3.044810|0.086589|0.087700|0.070805|0.077205|0.078083|0.074751|0.068933|0.080887|0.211806|0.173409|0.500000| |3.285855|3.223460|7.074874|3.690130|2.945362|2.680896|2.866722|3.545107|4.246817|10.214228|8.871954|17.554530|3.600858|3.413156|5.416276|4.712597|3.097847|2.481381|2.331650|2.062804|1.855351|1.688366|1.666767|1.794233|2.017327|3.019902|0.060696|2.494963|0.067160|3.109158|0.086028|3.284756|2.894503|2.816020|3.068826|3.557124|3.710176|18.992895|2.856575|0.093553|0.102299|0.077663|0.078585|0.083659|0.073981|0.064937|0.071270|0.211691|0.212418|0.300306|0.500000| |3.780996|3.665486|8.319686|4.188675|3.213426|2.864603|3.049913|3.848894|4.859449|12.938630|8.879016|17.579509|3.823129|3.894364|6.417098|5.264407|3.212255|2.595546|2.516330|2.209107|1.941340|1.769689|1.776207|1.951565|2.213042|3.413920|0.069910|2.821079|0.076678|3.610940|0.096631|4.148903|3.703132|3.706107|4.164679|4.860209|4.838484|24.855066|3.674303|0.114588|0.112938|0.087020|0.090740|0.090029|0.080172|0.068570|0.074635|0.173354|0.212244|0.301044|0.300270|0.500000| |2.370535|2.752224|5.955782|4.197062|3.996129|4.792290|7.315764|8.944658|5.648679|8.873106|4.125152|3.497970|17.525931|8.964402|11.675542|8.819765|6.406638|5.429697|4.150027|3.218227|2.794808|2.346072|2.194582|2.348436|2.841539|4.241189|0.078838|4.080521|0.121226|4.428647|0.107319|3.688097|3.383092|2.815647|2.562006|2.689464|3.172471|15.026206|1.951062|0.065702|0.065138|0.058919|0.074820|0.074066|0.090965|0.113596|0.223371|0.125296|0.097841|0.105482|0.084941|0.087591|0.500000| |2.649816|3.019829|6.848986|4.662793|3.991674|4.280750|5.790826|8.870344|6.961148|12.871650|6.120349|5.021690|17.610628|8.905597|10.602882|10.042167|6.682626|4.703733|3.798261|3.011700|2.614046|2.229167|2.113392|2.275546|2.729102|4.120169|0.077845|3.881471|0.108760|4.773879|0.119356|4.117349|3.568696|3.016143|2.853595|3.116181|3.737692|16.485022|2.192569|0.073772|0.074556|0.064435|0.079199|0.080270|0.090821|0.098689|0.148261|0.197594|0.131041|0.157921|0.117148|0.117392|0.302725|0.500000| |2.044704|2.249066|4.770241|3.062242|2.801567|3.057097|3.891233|4.724991|3.926270|7.335823|3.737766|3.591762|7.522842|7.257360|9.062374|12.382888|17.676516|8.801729|5.601181|4.166409|3.602432|2.896250|2.627830|2.780456|3.447009|4.970306|0.088653|4.880792|0.126582|5.678278|0.152448|4.136984|3.422141|2.804265|2.639851|2.931088|3.664673|15.155773|2.018458|0.057615|0.057240|0.051108|0.060448|0.060070|0.067233|0.075618|0.111647|0.113301|0.086466|0.118069|0.088823|0.088577|0.222988|0.235018|0.500000| |1.910528|2.042659|4.271023|2.627604|2.374993|2.501222|3.011315|3.596350|3.254201|6.424308|3.350928|3.512064|4.970054|5.744107|7.913230|12.498285|17.595688|8.759907|6.788063|5.162066|4.328389|3.434116|3.122134|3.334549|4.223668|5.986841|0.104193|5.731130|0.131553|7.234139|0.237859|4.821557|3.694015|3.002677|2.890031|3.345165|4.405124|16.246757|2.187539|0.054683|0.053595|0.047944|0.055023|0.053961|0.058253|0.062604|0.084344|0.096974|0.078253|0.119963|0.087583|0.088944|0.134200|0.151787|0.304480|0.500000| |1.834423|2.029100|4.164689|2.686076|2.583327|2.913043|3.659445|3.983806|3.248373|5.698752|2.784807|2.659135|5.441407|6.353225|9.724203|9.265677|8.785907|17.528992|9.027129|5.875424|4.788836|3.608576|3.198522|3.400107|4.437246|6.239147|0.105505|6.510360|0.183615|5.514685|0.136560|3.945743|3.536777|2.819692|2.518617|2.655039|3.233530|14.579818|1.872393|0.052015|0.050173|0.046611|0.056313|0.054038|0.062975|0.074650|0.112073|0.080167|0.067930|0.082795|0.066196|0.069562|0.178488|0.133883|0.216980|0.173244|0.500000| |1.652979|1.790563|3.638570|2.278194|2.168125|2.374925|2.863334|3.141158|2.707225|4.927806|2.530133|2.508747|4.127073|4.568771|6.956808|7.597604|8.693201|17.595226|8.900681|6.840877|6.302274|4.374518|3.594871|3.623353|4.609040|5.876089|0.098340|5.466840|0.134634|4.916395|0.139308|3.532911|3.047752|2.505795|2.322723|2.517093|3.074004|13.586836|1.790108|0.046867|0.045761|0.042191|0.049163|0.047925|0.053759|0.061370|0.085252|0.073523|0.061815|0.079346|0.063890|0.065185|0.127457|0.112721|0.207539|0.214193|0.301823|0.500000| |1.393679|1.482503|2.935562|1.789818|1.720143|1.848769|2.124471|2.263795|2.040468|3.727691|1.945321|1.973529|2.718352|3.041118|5.057127|4.834360|4.328526|6.006013|6.551599|8.712097|17.744763|9.026559|5.586683|4.816101|5.495483|5.836499|0.098045|4.421009|0.107622|3.675636|0.108479|2.897048|2.597412|2.209936|2.064648|2.205005|2.594816|12.394440|1.636213|0.039742|0.038455|0.036045|0.041048|0.039657|0.043686|0.048744|0.062420|0.055313|0.048814|0.061123|0.051173|0.052685|0.080286|0.074109|0.105593|0.122474|0.140276|0.208002|0.500000| |1.229884|1.289429|2.511817|1.502192|1.446446|1.528403|1.705950|1.801482|1.671995|3.069571|1.619177|1.665403|2.069675|2.308811|3.979147|3.568081|2.917642|3.524487|4.101267|5.628844|9.045233|17.755732|8.769957|5.587774|4.926430|5.020435|0.089833|3.352519|0.083264|2.852220|0.084714|2.436188|2.250404|1.986446|1.880032|1.983312|2.250380|11.587679|1.537252|0.035240|0.033881|0.032088|0.035851|0.034440|0.037295|0.040633|0.049369|0.045393|0.041299|0.050805|0.043654|0.045259|0.059512|0.056596|0.072629|0.084192|0.087874|0.107052|0.215608|0.500000| |1.240564|1.288308|2.495626|1.474222|1.411079|1.469970|1.618951|1.717686|1.626056|3.010840|1.577445|1.640961|1.933814|2.210767|3.926297|3.389707|2.592367|2.976919|3.684343|4.959580|5.656158|8.798964|17.722858|9.095411|5.699851|5.713965|0.108291|3.396082|0.084385|2.867274|0.084575|2.581146|2.443603|2.194551|2.074328|2.155428|2.395641|12.868561|1.686696|0.035911|0.033989|0.032435|0.036030|0.034106|0.036583|0.038989|0.046136|0.043415|0.040482|0.049744|0.042821|0.045476|0.054245|0.052527|0.063738|0.074450|0.075413|0.083721|0.124039|0.215639|0.500000| |1.419075|1.471261|2.866904|1.687513|1.597041|1.648769|1.816648|1.954442|1.869986|3.499237|1.796497|1.881938|2.192661|2.618851|4.792720|4.032377|2.889775|3.229320|4.297647|5.495228|4.816857|5.521597|8.949593|17.753070|8.751993|9.233973|0.191999|4.540628|0.110837|3.685903|0.106304|3.451917|3.343922|2.964474|2.732527|2.789979|3.109672|16.475086|2.086107|0.041589|0.038598|0.036907|0.041380|0.038450|0.041237|0.043302|0.051082|0.048551|0.045937|0.057173|0.048301|0.053054|0.060107|0.058826|0.069225|0.081694|0.082064|0.084877|0.105235|0.123167|0.216800|0.500000| |2.373319|2.552059|5.228146|3.156828|2.856250|2.887121|3.239358|3.700336|3.634311|6.826939|3.066844|3.067575|3.974998|5.652636|13.525025|7.258484|3.940073|3.814279|4.455926|3.763567|2.931030|2.637418|2.795918|3.404315|4.224410|8.058336|0.182414|6.745352|0.225563|6.753435|0.140797|8.863910|17.760436|9.022567|5.650002|4.963754|5.663659|28.161691|3.080725|0.071745|0.062404|0.059603|0.073512|0.063606|0.070985|0.072026|0.085871|0.078091|0.077057|0.091465|0.072796|0.089955|0.098935|0.098126|0.095181|0.098702|0.106543|0.087537|0.074461|0.063845|0.068862|0.093969|0.500000| |2.562626|2.621246|5.157060|2.891991|2.589180|2.475956|2.601864|2.908030|3.093539|5.936956|2.803570|2.889890|2.908401|3.589588|7.562408|4.696855|2.761239|2.612757|2.919387|2.660668|2.219847|2.087314|2.251613|2.670331|3.008668|5.141189|0.121557|3.784587|0.111862|4.056073|0.097970|5.639125|8.972900|17.722859|8.895266|5.657317|4.982829|48.427777|4.245712|0.080738|0.066346|0.064961|0.076341|0.063882|0.066844|0.062518|0.067405|0.069298|0.073605|0.082186|0.069868|0.089793|0.072365|0.075393|0.069737|0.072901|0.072098|0.063543|0.056960|0.051890|0.057651|0.077243|0.219096|0.500000| |2.437387|2.356957|4.776930|2.567806|2.196992|2.074465|2.221589|2.608310|2.865722|6.208605|3.324553|4.127368|2.766546|3.226794|5.710764|4.834294|2.952957|2.555614|2.747912|2.544230|2.190756|2.063935|2.183232|2.499146|2.765921|4.392773|0.096179|3.267417|0.084545|4.134047|0.117204|5.639951|4.963470|5.644460|8.870944|17.768539|8.980363|45.098768|7.303518|0.075842|0.067922|0.060675|0.063554|0.058718|0.056425|0.051866|0.057460|0.081091|0.084480|0.123223|0.101915|0.136148|0.067658|0.079178|0.074568|0.085337|0.066156|0.064155|0.056937|0.051915|0.056209|0.070678|0.107781|0.123883|0.500000| |2.261500|2.294658|4.803880|2.731721|2.342076|2.289234|2.569009|3.116784|3.256847|7.182555|3.754653|4.644975|3.613349|4.463520|7.301324|7.772305|4.559114|3.645423|3.922544|3.471636|2.877462|2.603332|2.683960|3.090927|3.646561|5.878665|0.120137|4.693745|0.112350|7.161993|0.231295|8.916984|5.664829|4.980956|5.656703|8.978652|17.698428|27.491681|3.818313|0.067906|0.063368|0.055997|0.061621|0.058220|0.058596|0.056717|0.067422|0.095462|0.089073|0.161225|0.110567|0.135082|0.087450|0.106193|0.108346|0.138832|0.089715|0.089238|0.074648|0.064164|0.066820|0.083424|0.124036|0.108007|0.219128|0.500000| |2.227474|2.087467|4.025237|2.120595|1.865581|1.749182|1.819549|2.053547|2.248918|4.608804|2.511145|2.933832|2.104475|2.368219|4.302883|3.400625|2.173758|1.970610|2.120036|2.027385|1.797753|1.739949|1.864972|2.105046|2.226228|3.423886|0.076216|2.451199|0.065211|2.821257|0.078973|3.536491|3.524671|4.300635|6.182881|6.305735|4.400301|55.824820|17.616501|0.069886|0.061558|0.057074|0.057010|0.052241|0.049198|0.044568|0.047349|0.062261|0.067097|0.082554|0.076356|0.094938|0.052834|0.059323|0.056076|0.062073|0.051989|0.050489|0.046799|0.044448|0.049242|0.061075|0.082604|0.107586|0.223796|0.111963|0.500000| 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