Version2.1 2020-12-13T16:12:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 23-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc5cccc4CCC3CN(CCCCNC(=O)c2ccc1ccccc1c2)CCN3c45 302118 CHEMBL362665 RHF 6-31G(d) (6D,7F) COc5cccc4CCC3CN(CCCCNC(=O)c2ccc1ccccc1c2)CCN3c45 C01[X(C28H33N3O2)] 192 C1 561 COc1cccc2c1N1CCN(CC1CC2)CCCCNC(=O)c1ccc2c(c1)cccc2 COc1cccc2c1N1CCN(CC1CC2)CCCCNC(=O)c1ccc2c(c1)cccc2 COc1cccc2CCC3CN(CCCCNC(=O)c4ccc5ccccc5c4)CCN3c12 InChIKey=XLHPOAMYVQMRPZ-UHFFFAOYSA-N InChI=1S/C28H33N3O2/c1-33-26-10-6-9-22-13-14-25-20-30(17-18-31(25)27(22)26)16-5-4-15-29-28(32)24-12-11-21-7-2-3-8-23(21)19-24/h2-3,6-12,19,25H,4-5,13-18,20H2,1H3,(H,29,32) InChI=1/C28H33N3O2/c1-33-26-10-6-9-22-13-14-25-20-30(17-18-31(25)27(22)26)16-5-4-15-29-28(32)24-12-11-21-7-2-3-8-23(21)19-24/h2-3,6-12,19,25H,4-5,13-18,20H2,1H3,(H,29,32)/f/h29H COc5cccc4CCC3CN(CCCCNC(=O)c2ccc1ccccc1c2)CCN3c45 C01[X(C28H33N3O2)] 192 C01 561 COc1cccc2c1N1CCN(CC1CC2)CCCCNC(=O)c1ccc2c(c1)cccc2 CO[C]1[CH][CH][CH][C]2[C]1[N@@]1CCN(C[C@H]1CC2)CCCCNC(=O)[C]1[CH]=[CH][C]2[C]([CH]=1)[CH]=[CH][CH]=[CH]2 CO[C]1[CH][CH][CH][C]2CC[C@@H]3CN(CCCCNC(=O)C4=C[C]5C=CC=C[C]5C=C4)CCN3[C]12 InChIKey=XLHPOAMYVQMRPZ-RUZDIDTESA-N InChI=1S/C28H33N3O2/c1-33-26-10-6-9-22-13-14-25-20-30(17-18-31(25)27(22)26)16-5-4-15-29-28(32)24-12-11-21-7-2-3-8-23(21)19-24/h2-3,6-12,19,25H,4-5,13-18,20H2,1H3,(H,29,32)/t25-/m1/s1 InChI=1/C28H33N3O2/c1-33-26-10-6-9-22-13-14-25-20-30(17-18-31(25)27(22)26)16-5-4-15-29-28(32)24-12-11-21-7-2-3-8-23(21)19-24/h2-3,6-12,19,25H,4-5,13-18,20H2,1H3,(H,29,32)/t25-/m1/s1/f/h29H 2973.1443353184 -1392.6122054 1-A 40184.6908 119 442 561 |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|A|A|A|A|A|A|A|A|A|A|A| -20.58246 -20.51689 -15.57833 -15.55154 -15.54101 -11.34330 -11.28765 -11.27936 -11.26074 -11.25488 -11.24795 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12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 1.00783 1.00783 1.00783 3527.7381 71462.0896 73286.3734 1.00000 0.00088 -0.00013 -0.00089 0.99999 -0.00374 0.00012 0.00374 0.99999 1 0.02455 0.00121 0.00118 0.51159 0.02525 0.02463 12.62 13.34 24.84 35.94 62.20 77.95 86.92 91.69 118.82 140.65 159.68 166.00 182.45 212.11 225.32 272.76 287.14 304.21 315.96 332.87 358.96 398.51 417.49 435.56 448.74 463.49 501.03 540.01 543.52 570.22 596.47 614.05 631.75 636.45 688.86 716.40 749.59 753.28 770.24 783.56 788.15 810.51 815.19 838.97 860.61 894.65 916.68 919.51 939.69 990.36 999.59 1001.09 1059.31 1148.59 1177.96 1183.09 1195.38 1208.24 1222.75 1232.26 1246.70 1251.63 1263.02 1294.70 1337.14 1354.18 1376.84 1402.91 1408.34 1424.92 1464.62 1467.25 1483.63 1497.25 1527.54 1529.63 1551.39 1559.15 1572.79 1577.82 1586.41 1592.00 1608.56 1614.82 1618.75 1659.13 1680.68 1708.07 1710.77 1717.04 1733.97 1739.76 1754.30 1771.91 1773.78 1801.14 1818.08 1821.72 1844.81 1851.21 1852.88 1860.37 1866.21 1875.55 1880.46 1893.92 1920.49 1933.16 1944.90 1949.91 1957.79 1986.51 1999.52 2002.81 2017.99 2036.55 2059.95 2067.21 2069.78 2087.27 2096.49 2118.66 2130.41 2136.06 2147.28 2165.31 2170.05 2170.76 2178.44 2213.93 2238.26 2251.65 2256.63 2280.29 2296.19 2305.21 2340.86 2343.52 2353.40 2355.59 2359.44 2362.60 2365.73 2368.82 2375.58 2377.49 2384.79 2386.98 2395.04 2398.67 2403.38 2415.55 2451.11 2557.05 2564.28 2592.22 2602.85 2655.45 2789.93 4471.49 4491.07 4503.74 4512.14 4539.54 4569.08 4593.63 4602.42 4614.68 4617.39 4620.58 4632.30 4637.75 4655.22 4667.23 4680.60 4683.37 4705.25 4705.82 4755.60 4778.10 4823.49 4826.81 4833.55 4839.00 4857.09 4857.30 4869.18 4875.67 4878.48 4891.78 4903.67 5583.10 0.609038 0.636563 0.637507 0.545779 -1392.003168 -1391.975642 -1391.974698 -1392.066427 3.076606D-04 MUNgauss RevisionA2.0 retrievium 13-Dec-2020 DUDE COc5cccc4CCC3CN(CCCCNC(=O)c2ccc1ccccc1c2)CCN3c45 302118 CHEMBL362665 RHF 6-31G(d) (6D,10F) C1 443.257278 |X|Y|Z| 194.478026 41.198852 25.799732 59.127604 30 6 7 27 3 |36.858105| |13.631455|73.516695| |7.988188|24.982042|36.858105| |6.801068|14.118782|13.796289|36.858105| |4.555330|9.258910|7.924931|13.718859|36.858105| |3.826659|8.232566|6.898330|7.992393|13.879419|36.858105| |3.991684|9.363322|7.933452|6.879377|7.917729|13.669444|36.858105| |3.116495|6.970481|5.023976|4.452786|5.037361|7.582559|12.586487|36.858105| |3.078700|6.951658|4.604145|3.828293|3.954090|5.113362|7.674430|12.498697|36.858105| |3.420513|8.088748|5.054432|3.890467|3.739887|4.489099|6.683580|7.735982|12.549469|36.858105| |3.095444|6.972977|3.968117|3.145763|2.964591|3.363475|4.446808|4.943194|7.488543|12.503340|36.858105| |3.102335|6.888284|3.698366|2.933750|2.696349|2.945133|3.731727|3.883287|4.997006|7.780697|13.111718|53.358707| |2.674081|5.622667|2.967045|2.446931|2.263628|2.431347|2.944373|3.076144|3.853394|5.076321|7.921013|17.866343|36.858105| |2.431762|4.966028|2.595851|2.188248|2.023571|2.139338|2.520065|2.591266|3.055655|3.874370|5.061967|10.398146|12.463305|36.858105| |2.090941|4.147651|2.180019|1.883285|1.758544|1.849242|2.130624|2.203585|2.569116|3.063098|3.883329|6.757809|7.511833|12.450374|36.858105| |1.906133|3.712441|1.950746|1.711655|1.601047|1.667604|1.888990|1.934614|2.186503|2.562797|3.054497|5.157237|4.888185|7.508585|12.492822|36.858105| |1.695685|3.257013|1.721748|1.531541|1.442410|1.499013|1.677831|1.723942|1.937150|2.204916|2.594044|4.146384|3.822157|4.994898|7.781476|13.121304|53.358707| |1.569946|2.976926|1.572999|1.413770|1.332531|1.375000|1.521727|1.551999|1.716009|1.932510|2.213187|3.482131|3.056089|3.838975|5.124564|7.786289|19.113618|36.858105| |1.587109|2.994498|1.575136|1.418218|1.331734|1.366461|1.506811|1.523447|1.667240|1.887105|2.128052|3.377153|2.885840|3.663567|4.519408|6.898147|11.561280|15.842779|73.516695| |1.415388|2.665315|1.417890|1.286407|1.220185|1.258847|1.382472|1.415029|1.558469|1.722597|1.956305|2.988161|2.580818|3.053844|3.925029|5.024628|10.677654|12.681388|14.325330|36.858105| |1.387771|2.613099|1.394099|1.266183|1.204352|1.245531|1.367647|1.406616|1.559680|1.706306|1.953068|2.930315|2.553468|2.909626|3.775881|4.367164|8.895578|7.418136|9.343133|13.403079|36.858105| |1.268517|2.374964|1.273461|1.165895|1.114159|1.150874|1.254733|1.291442|1.422307|1.536228|1.736881|2.560901|2.184376|2.421351|2.998425|3.338246|6.091822|5.007309|7.120287|7.893412|14.034985|36.858105| |1.186215|2.210941|1.187958|1.093843|1.047237|1.078786|1.169532|1.200351|1.308856|1.410120|1.572174|2.315745|1.937645|2.153171|2.582943|2.925984|5.104074|4.419402|6.739633|6.781588|7.885085|13.418136|36.858105| |1.094229|2.031219|1.095700|1.015098|0.975444|1.003824|1.082208|1.111043|1.205245|1.286427|1.422042|2.069699|1.709060|1.864947|2.183033|2.407420|4.003779|3.324753|5.281181|4.504830|5.117527|7.661770|13.415262|36.858105| |1.034708|1.914631|1.034428|0.962395|0.926063|0.950968|1.020924|1.045692|1.126318|1.200167|1.314286|1.911331|1.559265|1.701878|1.954968|2.165748|3.504300|2.932379|4.838173|3.779356|3.944657|5.119715|7.893545|14.024584|36.858105| |1.045778|1.934376|1.043727|0.970913|0.932922|0.956535|1.026681|1.048722|1.125417|1.205301|1.314734|1.926293|1.564775|1.728575|1.973908|2.232863|3.589000|3.094790|5.258780|3.939153|3.785039|4.516040|6.806083|7.907305|13.443198|36.858105| |1.120686|2.078873|1.118000|1.035243|0.991576|1.017003|1.096025|1.118426|1.203300|1.299236|1.423481|2.108198|1.723933|1.937026|2.236930|2.603248|4.270181|3.864233|6.606669|5.114022|4.518220|5.104847|7.809149|6.831477|7.918411|14.030021|36.858105| |1.202987|2.241535|1.202128|1.106412|1.057207|1.086970|1.178260|1.205021|1.307581|1.418575|1.573137|2.342681|1.948524|2.208134|2.627538|3.098136|5.377969|5.042596|8.038549|7.866238|6.814510|7.826324|13.523624|7.815779|6.815876|7.890178|13.406719|36.858105| |1.309434|2.450594|1.308119|1.196099|1.137865|1.170359|1.275831|1.302558|1.418538|1.557375|1.738551|2.633042|2.213943|2.582949|3.138990|3.922078|7.160204|7.768211|12.074872|13.985441|7.925076|6.850217|7.820742|5.107027|4.523101|5.127004|7.682691|13.444164|36.858105| |3.891874|8.979156|4.458847|3.376351|2.958046|3.117375|3.916290|3.732298|4.455495|6.738614|7.948337|17.834696|7.842433|6.183534|4.234201|3.464762|3.812522|2.421929|4.276211|2.073503|2.012762|1.767195|1.613012|1.445947|1.343762|1.360892|1.489360|1.642937|1.846785|36.858105| |4.621531|11.916111|6.251163|4.373504|3.741924|3.967411|5.231375|4.610577|5.110702|8.062616|6.748970|10.554801|5.049320|4.292643|3.218163|2.780885|3.160671|2.061483|3.672491|1.797569|1.743585|1.555633|1.437672|1.302797|1.221135|1.238786|1.346434|1.466714|1.630412|12.522628|36.858105| |4.614164|12.367267|7.773169|5.127338|4.514867|5.116056|7.770409|6.586292|7.726253|13.056635|7.889980|9.097932|4.532278|3.636108|2.872562|2.455444|2.871006|1.873158|3.293658|1.664178|1.638369|1.476110|1.361152|1.242700|1.163382|1.172091|1.264136|1.375223|1.511538|7.842628|13.062528|53.358707| |5.219257|14.358712|13.481782|7.845314|6.785741|7.868398|13.669759|7.574277|6.822706|7.710506|5.144414|6.087659|3.394349|2.872851|2.370397|2.084882|2.486890|1.650022|2.915658|1.483776|1.462099|1.331395|1.237059|1.138312|1.071484|1.079561|1.157843|1.249579|1.362220|5.115583|7.687784|18.361788|36.858105| |17.637085|17.023096|5.872328|4.942609|3.642474|3.206949|3.414793|2.795264|2.847858|3.220994|3.046927|4.279435|2.773672|2.550299|2.200585|2.010423|2.430647|1.655497|2.983889|1.486659|1.455471|1.325831|1.237637|1.138353|1.074845|1.087019|1.167609|1.256333|1.371765|4.024634|4.464462|5.754096|4.392151|0.500000| |17.556598|16.423113|6.910925|6.737229|4.558177|3.707184|3.726495|2.915793|2.799705|3.088643|2.767129|3.817230|2.428647|2.257727|1.950253|1.805286|2.189929|1.501704|2.716170|1.355366|1.321967|1.211786|1.139984|1.053649|1.000666|1.014694|1.086873|1.160827|1.262318|3.460890|4.166164|5.500944|4.653382|0.300249|0.500000| |17.562853|16.453918|7.111800|6.860692|4.702355|3.860034|3.884830|3.045851|2.996604|3.190852|2.898909|3.840262|2.471128|2.227178|1.947520|1.771479|2.170307|1.478140|2.641757|1.344580|1.327486|1.220054|1.140345|1.056487|0.998776|1.005797|1.073216|1.150863|1.245310|3.392610|3.908027|5.639728|4.809514|0.299829|0.299025|0.500000| |7.649482|12.742207|8.933378|17.767722|8.946071|5.685265|4.959519|3.561424|3.172499|3.254394|2.752257|3.575102|2.244005|2.039187|1.774532|1.628868|1.994383|1.362256|2.438921|1.242556|1.221611|1.127660|1.061015|0.986475|0.937258|0.946377|1.007916|1.074303|1.159406|3.042133|3.779594|5.661122|5.601665|0.148470|0.233308|0.226255|0.500000| |3.952655|7.475965|5.645534|8.913541|17.720221|8.929670|5.629261|4.101830|3.298569|3.101060|2.544192|3.185684|2.007326|1.817553|1.600309|1.470113|1.816694|1.240883|2.207565|1.142397|1.128095|1.048537|0.989089|0.924743|0.880314|0.886803|0.939872|0.998335|1.070287|2.541483|3.106190|4.897610|4.906956|0.089749|0.113222|0.115831|0.216214|0.500000| |3.159951|6.528219|4.964900|5.664243|8.951140|17.703669|8.931624|7.089546|4.678367|3.928463|3.029341|3.602030|2.226689|1.973023|1.727094|1.564811|1.929027|1.303525|2.298139|1.200505|1.190392|1.104896|1.037873|0.969137|0.919475|0.923795|0.979320|1.044138|1.119631|2.725599|3.338410|5.659084|5.625775|0.075569|0.085906|0.089307|0.124684|0.214656|0.500000| |2.812575|6.032588|4.266217|4.044675|4.811419|7.272381|8.930391|17.558474|8.806737|5.567651|4.064747|4.426555|2.692830|2.295359|1.998129|1.766693|2.171432|1.443995|2.513938|1.328705|1.327321|1.226863|1.142311|1.062825|1.001527|1.001740|1.063499|1.142720|1.227477|3.116503|3.678444|6.694128|5.695393|0.070226|0.073533|0.078193|0.092007|0.113752|0.220171|0.500000| |2.846709|6.267943|4.374532|3.944487|4.436256|6.283761|8.834542|17.508693|8.869387|6.978963|4.604803|5.168763|3.007755|2.594354|2.198287|1.949549|2.355866|1.561446|2.733220|1.420581|1.404128|1.288717|1.202393|1.112248|1.049434|1.055798|1.127520|1.212042|1.312116|3.597523|4.455133|7.836625|6.209758|0.071662|0.075609|0.076025|0.089819|0.103625|0.171630|0.303545|0.500000| |3.194420|7.122393|4.648486|3.886358|3.960384|4.948984|6.913765|8.839397|17.531782|8.843088|6.770032|6.220403|3.693550|2.901700|2.486987|2.108568|2.569174|1.674571|2.883253|1.529688|1.542143|1.410325|1.293834|1.194186|1.113762|1.108651|1.182110|1.286013|1.390010|4.206476|4.633039|9.473177|6.448843|0.082165|0.079029|0.088558|0.090175|0.092211|0.124959|0.213354|0.173634|0.500000| |2.627476|5.718481|3.653234|3.157385|3.294230|4.144077|5.545305|8.804316|17.544350|8.899265|6.897067|6.364440|3.785162|3.017345|2.583461|2.193245|2.664740|1.727630|2.962666|1.577471|1.585869|1.449300|1.331611|1.227550|1.145437|1.141777|1.218968|1.326036|1.434733|3.931239|4.237803|7.638459|4.948696|0.068622|0.067226|0.071245|0.074822|0.079036|0.111056|0.209336|0.215045|0.301553|0.500000| |3.100432|7.132253|4.458073|3.575267|3.505764|4.211819|5.985558|7.180033|9.002253|17.430200|9.004752|9.861393|4.800607|3.896638|3.050761|2.600124|3.020804|1.951187|3.405065|1.732066|1.700525|1.530169|1.412307|1.287140|1.204916|1.215428|1.313048|1.429374|1.573424|6.130876|7.537101|12.390169|6.427730|0.081292|0.080182|0.079496|0.084028|0.082016|0.104968|0.144513|0.215122|0.174600|0.217080|0.500000| |3.225899|7.180312|3.996840|3.170806|2.953810|3.294045|4.254425|4.553183|6.817201|8.885044|17.413365|12.215735|7.042009|4.543045|3.681826|2.890425|3.412117|2.146995|3.653031|1.916330|1.935191|1.727698|1.556374|1.412020|1.301251|1.295016|1.396796|1.545995|1.699143|6.969836|5.831872|9.717062|4.970509|0.088975|0.078292|0.085522|0.077681|0.070622|0.082147|0.108182|0.112459|0.201678|0.169692|0.175026|0.500000| |2.638983|5.733196|3.314387|2.744629|2.658921|3.044903|3.899989|4.610193|6.933474|8.903364|17.549552|12.541392|7.297484|4.856984|3.910952|3.058827|3.585445|2.231077|3.768616|1.988806|2.000141|1.782861|1.608768|1.456473|1.342647|1.338602|1.446707|1.602072|1.764215|5.731165|5.030736|7.729429|4.191333|0.072140|0.066657|0.069581|0.067352|0.064502|0.078502|0.109202|0.123189|0.170071|0.209993|0.216938|0.300402|0.500000| |2.770771|5.738778|2.958206|2.440594|2.233440|2.366525|2.830947|2.897426|3.615611|4.558681|6.833498|12.267187|17.389917|8.823593|6.820214|4.537523|5.051252|2.995262|5.003516|2.561318|2.574694|2.206666|1.942023|1.716145|1.559012|1.555512|1.707475|1.935644|2.186607|7.143055|4.653466|5.858091|3.294049|0.081193|0.068822|0.071714|0.062737|0.055166|0.060005|0.071449|0.076947|0.100584|0.097041|0.114317|0.200060|0.168423|0.500000| |2.394536|4.985015|2.706067|2.276149|2.149662|2.340261|2.820822|3.054192|3.894586|4.849491|7.640721|12.614105|17.546624|8.937336|7.055677|4.605953|5.143113|2.993070|4.917007|2.582534|2.600723|2.236806|1.970875|1.743104|1.583098|1.578246|1.730932|1.961930|2.209863|5.713973|4.225787|5.518479|3.132254|0.068088|0.060823|0.062467|0.057844|0.053278|0.060435|0.075292|0.083367|0.103296|0.111417|0.129000|0.187415|0.237270|0.302887|0.500000| |2.322427|4.763631|2.541978|2.159088|2.018717|2.151555|2.536329|2.640957|3.067154|3.900146|4.853506|9.717316|8.914872|17.537273|8.820323|6.835685|6.291544|3.662825|6.317960|2.929220|2.747534|2.311908|2.087325|1.815253|1.670054|1.707475|1.914906|2.161769|2.526572|5.648572|4.249644|4.863867|2.848094|0.066676|0.060728|0.058974|0.055640|0.050426|0.055427|0.064695|0.075109|0.078862|0.085161|0.114625|0.115171|0.133627|0.173837|0.212357|0.500000| |2.613710|5.293400|2.692905|2.259079|2.055507|2.138242|2.498919|2.497408|2.878973|3.661746|4.531338|9.224979|8.805091|17.546584|8.894716|6.964129|6.350910|3.773488|6.676475|2.966366|2.777808|2.321322|2.087495|1.810819|1.663535|1.700831|1.910590|2.162621|2.540447|6.685345|4.522493|4.962501|2.905718|0.077468|0.067500|0.065547|0.059006|0.051294|0.054330|0.061370|0.069184|0.076541|0.077179|0.101594|0.116046|0.115076|0.212141|0.174126|0.303417|0.500000| |2.121747|4.165126|2.164339|1.871054|1.737138|1.813846|2.078875|2.130026|2.490472|2.928261|3.724867|6.245052|6.897316|8.819071|17.521851|8.902033|9.706395|4.911194|7.612438|3.903614|3.903260|3.093130|2.616645|2.214870|1.966864|1.966284|2.214084|2.615987|3.087272|4.076374|3.085858|3.806812|2.324076|0.062663|0.054510|0.055227|0.049236|0.043981|0.046961|0.053995|0.058214|0.068336|0.068998|0.078950|0.102680|0.102374|0.205609|0.176434|0.173051|0.211061|0.500000| |1.953192|3.883092|2.078466|1.809066|1.710820|1.817126|2.093831|2.209068|2.596757|3.032043|3.871315|6.358398|6.888546|8.853160|17.481403|8.862256|9.676112|4.732899|7.173728|3.853476|3.844197|3.084184|2.628218|2.230739|1.984669|1.984905|2.232267|2.629455|3.085430|3.792325|2.988238|3.748390|2.287379|0.056431|0.050683|0.051010|0.047139|0.043339|0.047540|0.056014|0.061426|0.069605|0.074137|0.084323|0.101302|0.113868|0.168544|0.213386|0.212209|0.174074|0.303044|0.500000| |1.852329|3.624249|1.925720|1.696129|1.596652|1.670399|1.891776|1.949297|2.182684|2.561443|2.993533|5.049620|4.542705|6.896815|8.826643|17.518424|12.358699|6.683449|11.352690|4.555079|3.880197|3.072298|2.773722|2.307026|2.105615|2.194794|2.561506|2.987287|3.760329|3.358489|2.766607|3.308584|2.071803|0.053766|0.049136|0.047703|0.044708|0.040758|0.043690|0.049350|0.055250|0.057687|0.061170|0.073785|0.076896|0.084163|0.111818|0.121232|0.205967|0.174063|0.173748|0.210294|0.500000| |1.986039|3.833467|1.985633|1.740787|1.612982|1.662995|1.874840|1.889396|2.113662|2.489447|2.915988|4.966546|4.528216|6.809733|8.833611|17.633552|12.612996|7.287767|13.397872|4.680987|3.979857|3.105739|2.778048|2.302261|2.094066|2.178493|2.544801|2.984441|3.786701|3.526464|2.826101|3.334496|2.091036|0.058817|0.052370|0.050927|0.046323|0.041172|0.043128|0.047851|0.052724|0.056859|0.058087|0.069825|0.077347|0.079049|0.120644|0.112973|0.167708|0.207086|0.213197|0.173543|0.303721|0.500000| |1.634819|3.148696|1.678801|1.497109|1.419117|1.483154|1.661053|1.724180|1.949607|2.193848|2.599938|4.062061|3.771758|4.665506|7.297334|9.077341|26.076615|9.430856|10.953694|7.472175|7.296595|4.915676|3.933008|3.084593|2.648507|2.655354|3.107861|3.957361|5.003541|2.680089|2.237237|2.814975|1.793614|0.047542|0.042990|0.042975|0.039666|0.036502|0.039121|0.044526|0.048040|0.052866|0.055290|0.061199|0.070010|0.074700|0.101673|0.108008|0.120979|0.115873|0.188491|0.216919|0.202468|0.181130|0.500000| |1.467601|2.775372|1.477822|1.335034|1.267613|1.314109|1.450502|1.495264|1.674894|1.836412|2.134169|3.201401|2.853263|3.220740|4.340047|4.758589|9.779990|6.817798|8.602137|8.784928|17.727233|9.051861|5.624244|4.151850|3.294507|3.132706|3.600908|4.922941|5.645926|2.177395|1.862098|2.390120|1.555623|0.042817|0.038596|0.039035|0.035683|0.032874|0.034815|0.039135|0.041273|0.046185|0.047345|0.050481|0.059137|0.060847|0.080931|0.081302|0.082622|0.084229|0.129259|0.124313|0.112771|0.117715|0.242194|0.500000| |1.242873|2.324813|1.249519|1.146149|1.097693|1.134993|1.235716|1.274834|1.407127|1.507872|1.706596|2.485202|2.116380|2.293687|2.811633|3.004406|5.269158|4.071562|5.944363|5.615943|9.013638|17.708640|8.833242|7.029381|4.690621|3.930459|4.148516|5.595631|4.939663|1.709733|1.509219|1.967257|1.306966|0.036029|0.032902|0.033360|0.030786|0.028724|0.030323|0.033774|0.035215|0.038946|0.039921|0.041510|0.047488|0.048820|0.059861|0.060674|0.060546|0.060783|0.081638|0.081291|0.076704|0.077585|0.120117|0.218178|0.500000| |1.077346|1.999177|1.080215|1.001877|0.964296|0.993259|1.069981|1.100566|1.196132|1.269764|1.405401|2.029201|1.675927|1.804725|2.107701|2.272728|3.740880|3.002065|4.742436|3.923174|4.690549|7.028262|8.830948|17.707140|8.996447|5.619515|4.929615|5.591168|4.150889|1.413816|1.275097|1.666197|1.122898|0.031100|0.028758|0.028993|0.027036|0.025409|0.026673|0.029328|0.030525|0.033035|0.033901|0.035162|0.038946|0.040079|0.046980|0.047727|0.048594|0.048478|0.059879|0.060261|0.060188|0.060147|0.081162|0.111496|0.212606|0.500000| |0.980795|1.810809|0.980623|0.915600|0.882992|0.906200|0.969667|0.993291|1.066801|1.130679|1.232572|1.780665|1.443186|1.559887|1.772275|1.936006|3.075049|2.519999|4.194637|3.126544|3.290028|4.144151|5.617140|9.011785|17.716110|8.824357|5.652074|4.922287|3.603192|1.253704|1.145817|1.492492|1.014410|0.028250|0.026374|0.026369|0.024795|0.023368|0.024389|0.026508|0.027674|0.029347|0.030151|0.031504|0.033963|0.034988|0.040135|0.040756|0.042564|0.042367|0.049606|0.050074|0.052418|0.052105|0.064659|0.079054|0.111190|0.216543|0.500000| |0.997457|1.840322|0.994609|0.928545|0.893477|0.914691|0.978362|0.997877|1.065511|1.138254|1.233279|1.802017|1.450923|1.596285|1.797200|2.021460|3.176536|2.704779|4.694747|3.286901|3.130729|3.598853|4.917474|5.647125|8.821309|17.719623|9.007586|5.614226|4.149137|1.278311|1.171639|1.510004|1.026501|0.028757|0.026963|0.026664|0.025182|0.023646|0.024573|0.026518|0.027940|0.029138|0.030001|0.031933|0.033715|0.034828|0.040003|0.040571|0.043991|0.043787|0.049589|0.050086|0.055619|0.055127|0.064891|0.074111|0.089625|0.124017|0.213882|0.500000| |1.123572|2.082318|1.119210|1.037193|0.992637|1.016436|1.094236|1.113635|1.193070|1.292183|1.408288|2.095476|1.701631|1.925933|2.196827|2.589147|4.151459|3.800982|6.820706|4.697136|3.937534|4.152782|5.590412|4.929880|5.623059|8.995474|17.710398|8.834541|7.058799|1.488554|1.350651|1.717023|1.157044|0.032517|0.030371|0.029808|0.028080|0.026148|0.027172|0.029367|0.031268|0.032463|0.033497|0.036412|0.038233|0.039627|0.046591|0.047175|0.053258|0.053149|0.059872|0.060357|0.071726|0.071145|0.082192|0.089740|0.095790|0.107118|0.124050|0.216263|0.500000| |1.314672|2.457317|1.310526|1.199506|1.139778|1.169762|1.273309|1.295226|1.402132|1.545634|1.711559|2.609244|2.168137|2.557889|3.032396|3.876246|6.642469|7.295163|13.570831|9.051628|5.641181|4.942122|5.588584|4.146439|3.931156|4.688774|7.024841|8.816130|17.740263|1.846063|1.638508|2.051872|1.361331|0.038261|0.035363|0.034602|0.032343|0.029798|0.031059|0.033834|0.036370|0.038017|0.039270|0.043607|0.046204|0.048011|0.059037|0.059547|0.070350|0.070792|0.081553|0.081517|0.106296|0.106802|0.123463|0.124212|0.107333|0.095713|0.089634|0.111144|0.212882|0.500000| |4.273322|9.700680|4.529712|3.416831|2.935915|3.032186|3.732015|3.483269|4.175879|5.781222|6.970943|12.261261|7.031228|5.424433|4.027286|3.281085|3.702986|2.362799|4.150844|2.042408|2.003974|1.764353|1.603050|1.440292|1.334843|1.345615|1.467686|1.621916|1.814011|17.417770|8.914609|9.597093|4.913875|0.127205|0.101388|0.104219|0.086753|0.070314|0.073410|0.082696|0.090430|0.116182|0.101621|0.137262|0.202179|0.142168|0.213080|0.145658|0.130006|0.165475|0.113813|0.099713|0.085831|0.093816|0.072463|0.060612|0.047688|0.039271|0.034645|0.035076|0.040586|0.050071|0.500000| 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