Version2.1 2020-11-30T13:25:15Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1OC[C@H](C[NH2+]CCN2CCN(CC2)C[C@H](COc3ccccc3C)O)O C22924121 RHF 6-31G(d) (6D,7F) Cc1ccccc1OC[C@H](C[NH2+]CCN2CCN(CC2)C[C@H](COc3ccccc3C)O)O C01[X(C26H40N3O4)] 213 C1 575 O[C@H](CN1CCN(CC1)CC[NH2+]C[C@@H](COc1ccccc1C)O)COc1ccccc1C O[C@H](CN1CCN(CC1)CC[NH2+]C[C@@H](COc1ccccc1C)O)COc1ccccc1C Cc1ccccc1OC[C@@H](O)C[NH2+]CCN2CCN(CC2)C[C@@H](O)COc3ccccc3C InChIKey=PZQWGNFRQTVRRH-BJKOFHAPSA-O InChI=1S/C26H39N3O4/c1-21-7-3-5-9-25(21)32-19-23(30)17-27-11-12-28-13-15-29(16-14-28)18-24(31)20-33-26-10-6-4-8-22(26)2/h3-10,23-24,27,30-31H,11-20H2,1-2H3/p+1/t23-,24+/m0/s1 InChI=1/C26H39N3O4/c1-21-7-3-5-9-25(21)32-19-23(30)17-27-11-12-28-13-15-29(16-14-28)18-24(31)20-33-26-10-6-4-8-22(26)2/h3-10,23-24,27,30-31H,11-20H2,1-2H3/p+1/t23-,24+/m0/s1/fC26H40N3O4/h27H/q+1 Cc1ccccc1OC[C@H](C[NH2+]CCN2CCN(CC2)C[C@H](COc3ccccc3C)O)O C01[X(C26H40N3O4)] 213 C01 575 O[C@H](CN1CCN(CC1)CC[NH2+]C[C@@H](COc1ccccc1C)O)COc1ccccc1C O[C@H](CO[C]1[CH][CH][CH][CH][C]1C)C[NH2]CCN1CCN(CC1)C[C@H](CO[C]1[CH][CH][CH][CH][C]1C)O C[C]1[CH][CH][CH][CH][C]1OC[C@@H](O)C[NH2]CCN2CCN(CC2)C[C@@H](O)CO[C]3[CH][CH][CH][CH][C]3C InChIKey=AISQCYZLSQDNLY-BJKOFHAPSA-N InChI=1S/C26H40N3O4/c1-21-7-3-5-9-25(21)32-19-23(30)17-27-11-12-28-13-15-29(16-14-28)18-24(31)20-33-26-10-6-4-8-22(26)2/h3-10,23-24,30-31H,11-20,27H2,1-2H3/t23-,24+/m0/s1 InChI=1/C26H40N3O4/c1-21-7-3-5-9-25(21)32-19-23(30)17-27-11-12-28-13-15-29(16-14-28)18-24(31)20-33-26-10-6-4-8-22(26)2/h3-10,23-24,30-31H,11-20,27H2,1-2H3/t23-,24+/m0/s1 3042.8423943678 -1470.4128706 1-A 52358.0385 124 451 575 |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|A|A|A|A|A| -20.71596 -20.70336 -20.62829 -20.60910 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1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 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 1.00783 1.00783 1.00783 3184.2035 94309.5171 94899.5368 1.00000 0.00055 -0.00076 -0.00053 0.99949 0.03207 0.00077 -0.03207 0.99949 1 0.02720 0.00092 0.00091 0.56678 0.01914 0.01902 11.79 12.99 19.67 29.14 35.29 40.68 53.44 65.80 74.09 92.47 103.14 116.63 144.01 162.19 173.86 197.34 211.76 222.11 232.29 235.31 263.94 282.18 286.76 287.66 301.02 360.83 386.64 408.36 415.90 440.39 441.78 462.01 502.05 512.11 549.82 581.00 607.48 643.89 657.11 680.23 690.35 709.42 710.18 734.28 741.46 746.87 778.38 790.96 795.40 823.44 858.20 864.14 873.67 882.17 886.42 977.51 980.21 1008.54 1141.99 1147.67 1200.51 1204.57 1205.79 1225.14 1227.83 1241.21 1279.01 1298.03 1303.15 1317.91 1358.37 1386.63 1389.31 1406.71 1415.75 1468.60 1485.70 1495.89 1517.19 1518.19 1528.84 1534.08 1570.94 1575.07 1582.73 1590.72 1605.20 1609.39 1615.08 1643.43 1649.55 1656.90 1664.04 1688.53 1689.51 1695.37 1707.94 1714.28 1720.53 1731.36 1762.30 1776.60 1777.09 1795.59 1805.05 1807.18 1820.89 1824.94 1844.30 1853.73 1864.34 1876.39 1886.04 1887.66 1921.45 1924.82 1932.95 1945.35 1983.90 2003.58 2010.30 2023.35 2027.86 2042.74 2045.31 2056.40 2064.38 2074.58 2075.61 2096.47 2116.00 2123.52 2127.13 2130.56 2141.47 2177.44 2197.48 2219.99 2223.89 2228.06 2244.52 2253.55 2258.85 2259.50 2263.44 2283.34 2300.36 2306.47 2320.49 2321.00 2330.52 2341.64 2343.57 2345.05 2349.13 2356.07 2363.93 2365.37 2365.69 2367.62 2371.86 2378.39 2387.78 2391.47 2396.61 2398.14 2415.44 2416.94 2578.93 2579.70 2603.67 2608.05 2641.12 4508.62 4519.31 4528.03 4539.64 4548.94 4553.45 4596.17 4603.57 4610.99 4612.17 4617.76 4618.82 4661.88 4670.60 4680.85 4685.56 4689.52 4690.65 4694.61 4698.88 4715.10 4719.43 4726.98 4729.11 4737.41 4743.32 4813.11 4829.17 4829.31 4843.87 4845.91 4858.90 4871.63 4880.84 4892.33 4894.21 5239.24 5341.51 5846.52 5881.12 0.693119 0.725120 0.726064 0.622000 -1469.719752 -1469.687751 -1469.686806 -1469.790870 3.490324D-04 MUNgauss RevisionA2.0 retrievium 30-Nov-2020 DUDE Cc1ccccc1OC[C@H](C[NH2+]CCN2CCN(CC2)C[C@H](COc3ccccc3C)O)O C22924121 RHF 6-31G(d) (6D,10F) C1 458.301882 |X|Y|Z| 35.323593 30.677484 223.984249 62.378371 29 6 7 8 24 3 2 |36.858105| |12.621391|36.858105| |7.539465|13.773304|36.858105| |4.996640|7.863518|13.706567|36.858105| |4.425110|6.814135|7.970573|13.829766|36.858105| |5.007112|7.859540|6.902469|7.940017|13.699239|36.858105| |7.540250|13.644303|8.015143|6.898880|7.960916|13.800511|36.858105| |6.913952|8.142886|5.289981|4.609404|5.185996|7.868429|13.872901|73.516695| |4.600965|5.241775|3.991380|3.793056|4.513425|6.728413|7.942518|24.351525|36.858105| |4.087144|4.128127|3.226290|2.991893|3.348916|4.420253|5.254496|14.699142|12.527924|36.858105| |4.202879|4.073657|3.177634|2.897318|3.166940|4.067686|4.935910|13.284122|8.946323|17.510862|0.500000| |3.085633|3.162477|2.626958|2.523664|2.849381|3.594439|3.888680|9.191108|7.532077|12.509936|0.245917|36.858105| |2.762824|2.712736|2.287060|2.169640|2.374495|2.871559|3.146219|7.148371|4.994432|7.777971|0.191133|12.727680|53.358707| |2.771606|2.670138|2.248469|2.113637|2.285970|2.740808|3.041289|6.891552|4.610090|7.112687|0.204998|9.234270|25.679018|0.500000| |2.909083|2.803446|2.346040|2.199019|2.380144|2.870056|3.206421|7.335897|4.893754|7.604194|0.180337|9.386644|25.603089|0.329128|0.500000| |2.278790|2.264861|1.967462|1.899006|2.077822|2.445525|2.587085|5.552728|3.783312|4.972147|0.125759|7.513997|17.264986|0.255723|0.253664|36.858105| |2.074194|2.018168|1.770198|1.695276|1.819846|2.097056|2.236678|4.706981|3.030059|3.862645|0.102672|4.925364|10.390980|0.198226|0.195735|12.464027|36.858105| |1.804417|1.774739|1.583697|1.533852|1.646837|1.868827|1.955641|4.005664|2.559315|3.080087|0.081877|3.844812|6.910847|0.132594|0.131121|7.868850|13.218803|53.358707| |1.671402|1.631490|1.467267|1.417586|1.506684|1.688935|1.770429|3.577896|2.228742|2.626680|0.070062|3.101238|5.343857|0.104006|0.108196|5.197367|7.857913|17.757465|36.858105| |1.489556|1.467321|1.335733|1.301919|1.384375|1.535050|1.587838|3.154221|1.958047|2.236805|0.059712|2.614448|4.237718|0.082639|0.084692|3.990151|5.073832|10.595454|12.529109|36.858105| |1.422001|1.403378|1.281733|1.252255|1.331599|1.472000|1.517305|3.002216|1.863597|2.116848|0.057362|2.471959|3.946656|0.078918|0.076881|3.668218|4.510678|9.088718|7.810671|13.125182|53.358707| |1.499813|1.490362|1.356344|1.329667|1.424948|1.585936|1.628052|3.239154|2.042875|2.331097|0.063228|2.800132|4.460474|0.089235|0.083845|4.322646|5.076092|10.595090|6.720184|8.005482|17.866416|36.858105| |1.686071|1.663636|1.494965|1.453948|1.559913|1.758089|1.827232|3.704556|2.357628|2.784848|0.076006|3.429292|5.818458|0.118363|0.106438|6.015943|7.870337|17.780340|7.929409|6.726016|10.638819|12.528573|36.858105| |1.286607|1.275272|1.175417|1.154260|1.224937|1.341323|1.372252|2.680928|1.652156|1.838614|0.049852|2.111934|3.259797|0.065164|0.063876|2.915386|3.368386|6.097388|5.062288|7.831420|17.767978|7.840125|5.066141|36.858105| |1.217403|1.203446|1.112814|1.091822|1.153834|1.257571|1.287655|2.504875|1.531988|1.697559|0.046621|1.923028|2.941947|0.059938|0.057436|2.553964|2.919080|4.968540|3.946949|5.121199|10.530931|6.050987|4.333896|12.455191|36.858105| |1.235035|1.224218|1.131516|1.112061|1.178259|1.285970|1.313933|2.557650|1.571109|1.739851|0.047992|1.982125|3.015380|0.061806|0.058113|2.622113|2.945990|4.972398|3.719543|4.557784|9.376428|6.514920|4.591324|8.818132|17.511718|0.500000| |1.113182|1.103594|1.027681|1.011861|1.066915|1.154136|1.175890|2.266151|1.377496|1.505414|0.041287|1.684886|2.528620|0.051329|0.049699|2.149242|2.389321|3.915023|3.097437|3.901874|6.821412|4.224790|3.253852|7.582180|12.561139|0.250464|36.858105| |1.067531|1.057521|0.987278|0.972119|1.022570|1.102605|1.123149|2.157389|1.305748|1.421476|0.039278|1.578220|2.351092|0.048184|0.046073|1.966012|2.163072|3.443995|2.656360|3.155922|5.389268|3.581072|2.898334|5.142010|8.097605|0.214044|13.653289|73.516695| |0.992307|0.984178|0.923300|0.910805|0.955756|1.024961|1.041396|1.987859|1.196958|1.292168|0.035703|1.421759|2.095842|0.042896|0.041262|1.728822|1.877863|2.930381|2.256813|2.630620|4.258905|2.872943|2.406120|3.903035|5.227522|0.139108|7.983057|24.974974|36.858105| |0.955534|0.949694|0.893486|0.883201|0.926557|0.990847|1.004084|1.909715|1.148309|1.233036|0.033898|1.353372|1.984383|0.040332|0.039273|1.633569|1.762928|2.744960|2.132152|2.505362|3.916851|2.616963|2.200544|3.620666|4.408079|0.113244|6.720377|14.011815|13.777795|36.858105| |0.893392|0.888481|0.839220|0.830576|0.869268|0.925377|0.936210|1.771836|1.060570|1.131843|0.031154|1.232878|1.794046|0.036495|0.035598|1.460103|1.561955|2.392561|1.847169|2.122914|3.237098|2.199948|1.897874|2.866414|3.341235|0.088030|4.510090|9.234170|7.939429|13.691741|36.858105| |0.867156|0.861488|0.814774|0.805969|0.841929|0.894695|0.905689|1.711390|1.021472|1.088618|0.030101|1.180316|1.713067|0.035033|0.033943|1.383336|1.475658|2.235508|1.709969|1.927633|2.943642|2.033004|1.783101|2.530809|2.980375|0.080701|3.792065|8.206448|6.869967|7.933427|13.837848|36.858105| |0.895154|0.887759|0.837883|0.827450|0.864379|0.920396|0.933644|1.768687|1.056358|1.129931|0.031378|1.226344|1.785571|0.036723|0.035248|1.441817|1.543481|2.336261|1.775338|1.986698|3.087671|2.150841|1.890908|2.628242|3.209328|0.088938|3.996227|9.434089|7.988447|6.905327|7.978262|13.692089|36.858105| |0.957079|0.948171|0.891301|0.878864|0.919979|0.983978|1.000171|1.904257|1.141948|1.229413|0.034160|1.343264|1.970580|0.040599|0.038757|1.605705|1.733725|2.655477|2.019061|2.282509|3.648120|2.528504|2.185375|3.158230|4.095350|0.114677|5.252906|14.547214|13.602652|7.869929|6.824274|7.863375|13.791816|36.858105| |0.989830|0.978282|0.917589|0.902806|0.944522|1.012185|1.031703|1.969476|1.180822|1.276425|0.035700|1.393786|2.050802|0.042624|0.040145|1.665015|1.802544|2.740313|2.056809|2.277648|3.690404|2.613288|2.296858|3.072693|4.054445|0.119528|4.624326|12.382722|7.558217|5.016199|4.430001|4.994244|7.536099|12.625946|36.858105| |1.223837|1.199688|1.107168|1.079816|1.134744|1.236454|1.275733|2.487540|1.508708|1.683578|0.046578|1.884145|2.917713|0.060174|0.057480|2.490181|2.926272|4.844321|3.989988|4.855104|9.211181|5.135382|4.144056|7.953960|13.639115|0.258665|8.066608|11.934471|4.702841|3.929254|3.095688|2.837835|3.101137|3.924024|4.047927|73.516695| |4.209499|4.016206|3.140386|2.848427|3.086098|3.918119|4.768230|12.520982|7.901326|13.612983|0.258594|8.219386|9.916147|0.178742|0.251687|4.789831|3.965908|4.237365|2.738602|2.295055|2.890294|2.282374|2.716963|1.839185|1.685781|0.047423|1.496406|2.497455|1.278440|1.224916|1.124385|1.078343|1.115556|1.212294|1.252879|2.996579|73.516695| |17.536166|8.829700|5.898641|4.293659|3.962860|4.569632|6.648318|12.162797|4.668770|4.328194|0.119837|3.237699|4.009841|0.081192|0.088443|2.410137|2.203837|2.588811|1.770864|1.566626|2.017043|1.554840|1.753733|1.335469|1.256713|0.035268|1.146673|1.946484|1.016098|0.979736|0.914355|0.885217|0.912588|0.976866|1.008152|2.250042|8.563312|0.500000| |17.558786|8.832845|5.847557|4.273798|3.963592|4.595936|6.727473|12.465777|4.760058|4.413007|0.133953|3.268104|4.001828|0.083795|0.085068|2.389496|2.176466|2.555542|1.726966|1.531427|2.001838|1.558594|1.766609|1.325140|1.258865|0.035592|1.146476|1.959594|1.022121|0.980297|0.915273|0.890001|0.921789|0.987739|1.026001|2.255678|7.796556|0.302131|0.500000| |17.600021|8.884644|7.266666|4.751120|3.970722|4.171220|5.575325|8.861146|3.655793|3.324239|0.095275|2.628577|3.271652|0.067264|0.070126|2.027104|1.873373|2.243517|1.541669|1.383557|1.801931|1.388257|1.548241|1.205033|1.145021|0.032219|1.051943|1.798284|0.943675|0.909887|0.853366|0.829746|0.855854|0.912369|0.943054|2.050870|6.113448|0.302177|0.301701|0.500000| |7.012794|8.975684|17.715543|8.926397|5.667651|4.967145|5.681510|7.594973|3.332438|2.828119|0.078397|2.339632|2.838532|0.057360|0.059671|1.809615|1.651984|2.019901|1.386088|1.264778|1.653421|1.278226|1.404002|1.117420|1.061526|0.029929|0.982977|1.682201|0.887040|0.858903|0.808503|0.786098|0.808142|0.857959|0.883249|1.883962|4.988256|0.153544|0.151470|0.224230|0.500000| |4.082496|5.620496|8.900981|17.733881|8.927680|5.642214|4.966763|6.504446|3.134310|2.561006|0.069261|2.215016|2.633187|0.052472|0.054395|1.718719|1.548604|1.924579|1.314693|1.215614|1.594859|1.239917|1.345870|1.086196|1.030220|0.029127|0.959164|1.641373|0.867963|0.843175|0.795196|0.772475|0.792011|0.838851|0.860548|1.810888|4.370907|0.099623|0.099048|0.113236|0.215527|0.500000| |3.541199|4.922172|5.652921|8.925892|17.727185|8.928406|5.664122|7.446195|3.915691|2.987061|0.078234|2.642683|3.010878|0.058946|0.061120|1.973725|1.728845|2.154075|1.449052|1.342842|1.762682|1.387456|1.506109|1.197892|1.128668|0.032048|1.047686|1.786135|0.941127|0.914142|0.858949|0.831811|0.852684|0.905937|0.928279|1.964876|4.879597|0.090286|0.090305|0.090384|0.124339|0.214404|0.500000| |4.078632|5.601053|4.969946|5.662447|8.941142|17.749923|8.880621|12.543734|7.489364|4.692432|0.116194|3.988281|4.181810|0.080234|0.083818|2.638313|2.215378|2.697038|1.772108|1.614480|2.109061|1.683283|1.865218|1.410330|1.317017|0.037510|1.206608|2.044785|1.066982|1.031396|0.961213|0.927716|0.954237|1.021941|1.050410|2.288134|7.094628|0.107356|0.108135|0.095842|0.107810|0.124394|0.216899|0.500000| |4.071013|4.749888|3.802711|3.749542|4.591872|6.762735|7.006621|16.534058|17.544229|8.858565|0.174400|6.934216|6.391646|0.115026|0.130346|3.743492|2.976008|3.478468|2.238558|1.981353|2.541514|2.039162|2.323756|1.662344|1.528137|0.043364|1.379133|2.311903|1.193880|1.151083|1.063149|1.020290|1.050815|1.134339|1.166126|2.659324|12.609426|0.117790|0.111311|0.092468|0.088284|0.086837|0.113529|0.226809|0.500000| |4.076294|4.751671|3.803399|3.747200|4.582661|6.734071|6.992731|16.485530|17.542959|8.828020|0.215911|6.758442|6.147834|0.119299|0.116934|3.573743|2.858663|3.347570|2.125912|1.890801|2.484776|2.022418|2.320505|1.627190|1.519064|0.043582|1.368363|2.317531|1.195991|1.144866|1.058571|1.022134|1.059118|1.144618|1.186839|2.647681|10.121756|0.109630|0.119741|0.092799|0.088337|0.086800|0.113273|0.224872|0.299258|0.500000| |2.908549|3.048963|2.576165|2.518698|2.882229|3.620018|3.775131|8.529515|6.972719|8.826106|0.173456|17.630999|12.463945|0.181321|0.220971|7.111873|4.650061|5.175221|3.103654|2.655412|3.362204|2.781535|3.312671|2.126524|1.910656|0.054401|1.684377|2.784620|1.414620|1.355929|1.235360|1.177227|1.216470|1.329418|1.368415|3.295731|12.821590|0.085495|0.083082|0.069386|0.063539|0.061630|0.075211|0.114292|0.211279|0.170395|0.500000| |2.852326|2.962405|2.505912|2.441618|2.775374|3.459211|3.629059|8.198960|6.570189|8.726514|0.214649|17.630371|12.331501|0.223286|0.181911|6.770768|4.540825|5.044930|2.947273|2.538937|3.353607|2.855342|3.485083|2.117232|1.947490|0.056452|1.705603|2.859034|1.447166|1.371384|1.249231|1.199597|1.250871|1.372154|1.430728|3.369208|10.326017|0.080895|0.084824|0.068314|0.062083|0.059915|0.072447|0.108260|0.163590|0.191050|0.299556|0.500000| |2.230999|2.247139|1.965240|1.913734|2.108253|2.477017|2.582126|5.467567|3.751723|4.683873|0.113094|6.942270|12.382910|0.180575|0.219922|17.648931|8.829552|9.612098|5.046583|4.022813|4.846189|4.098219|5.199718|2.887339|2.477337|0.069895|2.113562|3.404348|1.694108|1.618143|1.448406|1.364364|1.410923|1.563805|1.603346|4.235190|8.278144|0.065927|0.063903|0.055198|0.050067|0.048178|0.055968|0.074904|0.108013|0.097207|0.216656|0.167263|0.500000| |2.169507|2.181082|1.910477|1.861177|2.048612|2.401783|2.501299|5.294215|3.641268|4.590198|0.119841|6.979572|12.414142|0.219826|0.180022|17.644734|8.740046|9.621958|4.626470|3.795010|5.023468|4.622799|6.474755|2.962903|2.631568|0.076721|2.207677|3.617714|1.782980|1.674018|1.494110|1.419662|1.486499|1.660982|1.732650|4.492616|7.339372|0.062686|0.063538|0.053812|0.048748|0.046931|0.054475|0.072676|0.099001|0.099715|0.179074|0.205662|0.301250|0.500000| |2.090057|2.009087|1.758458|1.672458|1.782275|2.048429|2.205630|4.651230|2.944707|3.788503|0.105490|4.615520|9.596798|0.216110|0.177685|8.796612|17.419649|12.240929|6.403803|4.419066|5.718808|4.715640|7.440047|3.181895|2.872571|0.081415|2.343274|3.837566|1.871970|1.739242|1.544712|1.471475|1.551671|1.746862|1.840651|5.248269|6.805311|0.061303|0.061734|0.052573|0.045783|0.042459|0.046851|0.059588|0.078305|0.077934|0.114870|0.121795|0.173019|0.206655|0.500000| |2.127879|2.049737|1.793778|1.706562|1.819566|2.092242|2.252121|4.742022|2.994758|3.814403|0.099891|4.604344|9.473972|0.175257|0.209465|8.917437|17.562757|12.524199|7.740722|4.856043|5.530829|4.233777|5.755952|3.124012|2.697710|0.074060|2.248908|3.609017|1.780331|1.687102|1.502565|1.417008|1.473042|1.642978|1.695157|4.873289|7.428545|0.063718|0.061530|0.053445|0.046657|0.043295|0.047807|0.060838|0.082516|0.076698|0.123797|0.112577|0.216263|0.173388|0.302498|0.500000| |1.649902|1.593894|1.433209|1.376428|1.452086|1.622109|1.713190|3.460406|2.125141|2.513737|0.068297|2.889832|4.996065|0.101061|0.102076|4.546694|6.966403|12.248529|17.454440|8.888499|9.527079|5.819491|7.020531|4.721768|3.946164|0.102649|3.076416|4.770548|2.275557|2.127012|1.846119|1.721648|1.800762|2.054125|2.115552|7.586198|4.678659|0.048522|0.047597|0.042452|0.037798|0.035507|0.038667|0.046902|0.058571|0.056353|0.078554|0.076560|0.117424|0.113940|0.182301|0.195514|0.500000| |1.726047|1.682354|1.510616|1.456670|1.546577|1.735221|1.823992|3.689286|2.289245|2.695379|0.070789|3.147283|5.405823|0.102320|0.114150|5.088949|7.238736|12.470513|17.572660|8.913263|7.697438|5.016638|5.713812|4.179530|3.318302|0.086561|2.730846|4.193567|2.047121|1.963964|1.721967|1.593224|1.639213|1.839628|1.857875|5.950622|5.135402|0.051262|0.049178|0.044179|0.039635|0.037485|0.041234|0.050463|0.064560|0.059820|0.089168|0.080948|0.145441|0.119794|0.157410|0.235934|0.300501|0.500000| |1.416686|1.389592|1.270354|1.236033|1.306324|1.439078|1.491018|2.942494|1.803471|2.043451|0.054734|2.332904|3.735059|0.073382|0.076030|3.355953|4.193098|7.689596|8.944229|17.593265|12.498803|5.743589|5.011242|7.252220|4.972293|0.116913|3.955987|5.624035|2.668508|2.575144|2.182405|1.967900|2.012325|2.300275|2.266523|8.840498|3.768535|0.041459|0.040335|0.036755|0.033572|0.032167|0.035195|0.041784|0.050708|0.048230|0.065770|0.062590|0.094228|0.087962|0.104976|0.117032|0.219083|0.214204|0.500000| |1.486924|1.477632|1.348674|1.322389|1.413631|1.567244|1.608028|3.181628|1.989658|2.246698|0.059193|2.651306|4.200224|0.080070|0.083802|3.997027|4.713697|9.486087|8.884997|17.436455|12.254766|7.117813|5.845932|6.898091|4.502552|0.114098|3.641924|5.238026|2.502180|2.428173|2.071555|1.869990|1.906523|2.166703|2.136084|7.188067|4.086570|0.043444|0.042232|0.038307|0.035365|0.034311|0.038247|0.046056|0.056607|0.053384|0.076479|0.071438|0.117609|0.105991|0.110364|0.125937|0.174069|0.218588|0.300955|0.500000| |1.432703|1.424761|1.302209|1.278740|1.367870|1.514907|1.550995|3.066719|1.923787|2.173625|0.059678|2.574540|4.010878|0.081841|0.075019|3.713987|4.197229|7.692501|5.003432|5.735385|12.452276|17.605927|8.948276|7.241341|6.765922|0.235516|4.595634|7.183930|3.159270|2.794918|2.332511|2.174756|2.339192|2.799029|2.954722|9.804512|3.740001|0.040987|0.041487|0.036967|0.034159|0.033216|0.037079|0.044594|0.052979|0.053449|0.070280|0.074173|0.096537|0.113192|0.114195|0.098492|0.130236|0.109803|0.127905|0.144224|0.500000| |1.497714|1.502466|1.371058|1.353082|1.459294|1.624527|1.652148|3.273722|2.083917|2.347776|0.062808|2.857147|4.429815|0.086381|0.082958|4.352745|4.718152|9.497769|5.853384|7.137938|12.282243|17.432974|8.880370|6.913758|5.136118|0.152004|3.916555|5.874674|2.720298|2.535311|2.147060|1.971184|2.058534|2.386177|2.422278|7.486608|4.063277|0.043104|0.043010|0.038444|0.035767|0.035058|0.039661|0.048250|0.058458|0.057460|0.080639|0.081200|0.120249|0.131170|0.116605|0.110968|0.133736|0.131505|0.144572|0.211669|0.301416|0.500000| |1.752574|1.742890|1.562537|1.525477|1.648627|1.869227|1.933286|3.934623|2.544752|3.008471|0.082416|3.816003|6.333179|0.129651|0.110370|6.639699|7.221686|12.411322|5.699334|5.011856|7.703504|8.926976|17.554525|4.185147|3.733145|0.113456|2.923490|4.746581|2.250131|2.059843|1.795563|1.699989|1.805566|2.071492|2.190490|6.241992|5.049032|0.050294|0.051238|0.044490|0.040552|0.039114|0.044274|0.055529|0.069240|0.070598|0.101016|0.111966|0.153187|0.230218|0.194714|0.143724|0.142637|0.127542|0.109799|0.131052|0.215675|0.218014|0.500000| |1.665267|1.626145|1.460955|1.412104|1.503058|1.687625|1.768382|3.583362|2.244500|2.662115|0.074204|3.170712|5.409074|0.115208|0.100552|5.109780|6.986184|12.280552|7.036595|5.831609|9.539147|8.880497|17.446383|4.725773|4.363187|0.128505|3.240449|5.249297|2.440066|2.199492|1.900115|1.801554|1.930537|2.243286|2.400739|7.949849|4.643758|0.048045|0.048756|0.042649|0.038306|0.036360|0.040168|0.049288|0.060686|0.061356|0.083209|0.089373|0.120123|0.148491|0.216844|0.149532|0.206567|0.143052|0.130684|0.133745|0.218325|0.173889|0.301076|0.500000| |1.250940|1.236842|1.142404|1.120439|1.184786|1.292987|1.324682|2.579810|1.578686|1.750938|0.047341|1.987730|3.062858|0.060993|0.060953|2.694701|3.125788|5.493231|4.861973|7.669167|12.534840|5.737435|4.233932|17.576086|8.946482|0.174339|7.054586|8.420963|3.776286|3.651262|2.904345|2.525312|2.571514|3.032920|2.879377|12.805114|3.150684|0.036186|0.035654|0.032638|0.030247|0.029340|0.032170|0.037623|0.044277|0.042937|0.055867|0.054755|0.075024|0.074476|0.081650|0.083159|0.127673|0.116599|0.237597|0.188679|0.144295|0.147078|0.098230|0.111828|0.500000| |1.270770|1.268861|1.172930|1.158234|1.234525|1.350250|1.371154|2.667962|1.653223|1.821947|0.049105|2.106091|3.193483|0.063197|0.062205|2.867415|3.181183|5.696455|4.455363|6.550492|12.236862|7.348245|4.686619|17.456890|8.771094|0.211747|6.872205|8.535247|3.779901|3.605322|2.870973|2.512847|2.575879|3.052456|2.923238|10.136858|3.216825|0.036561|0.036258|0.033035|0.030903|0.030305|0.033680|0.039629|0.046484|0.045423|0.059519|0.058994|0.080288|0.082031|0.082235|0.081567|0.111167|0.106034|0.162121|0.186988|0.191205|0.213174|0.113157|0.116082|0.301630|0.500000| |1.088834|1.076473|1.003439|0.986302|1.036750|1.119264|1.142717|2.199096|1.329889|1.452589|0.039780|1.613861|2.426630|0.049170|0.048160|2.046617|2.291679|3.719247|3.032818|3.828224|6.288283|3.737763|2.987244|6.717806|8.918998|0.176011|17.560754|16.526124|7.144815|6.840307|4.643693|3.796305|3.858826|4.829312|4.135634|13.413481|2.588888|0.031236|0.031078|0.028642|0.026719|0.025998|0.028252|0.032403|0.037048|0.036522|0.044910|0.045020|0.056189|0.057598|0.062287|0.060915|0.084498|0.075484|0.113289|0.098693|0.107962|0.096609|0.073985|0.083137|0.204174|0.162978|0.500000| |1.102147|1.098485|1.025141|1.013526|1.071970|1.158368|1.173948|2.255873|1.376225|1.494317|0.040773|1.679306|2.495096|0.050251|0.048928|2.128843|2.322106|3.812155|2.965760|3.766046|6.388241|4.131749|3.136917|7.159921|8.871058|0.209514|17.516974|16.566320|6.977141|6.708994|4.554426|3.719179|3.775463|4.718189|4.060631|10.271744|2.632195|0.031510|0.031450|0.028911|0.027192|0.026709|0.029335|0.033751|0.038460|0.038052|0.046986|0.047325|0.058819|0.061036|0.062459|0.060639|0.079689|0.073546|0.104120|0.102141|0.123460|0.112133|0.079635|0.084273|0.182884|0.213990|0.299605|0.500000| |0.976502|0.971595|0.913345|0.903349|0.949120|1.016231|1.029114|1.959201|1.180686|1.268549|0.034711|1.397433|2.052454|0.041470|0.040707|1.701056|1.838667|2.891910|2.269864|2.725935|4.221414|2.766948|2.293792|4.037619|4.693619|0.116000|7.464745|12.544674|8.890095|17.755114|8.935826|5.659904|4.971828|5.606699|4.086095|7.183936|2.247543|0.027879|0.027771|0.025795|0.024361|0.023938|0.026017|0.029425|0.033000|0.032612|0.039090|0.039192|0.047139|0.048223|0.049905|0.049036|0.062261|0.058260|0.078507|0.074139|0.080662|0.075280|0.059208|0.062939|0.116333|0.113499|0.226258|0.226215|0.500000| |0.868648|0.864972|0.818644|0.811251|0.848700|0.901629|0.910718|1.719288|1.027822|1.093057|0.030004|1.188070|1.722769|0.034917|0.034291|1.398799|1.490050|2.275022|1.761357|2.023055|3.026372|2.054335|1.782184|2.662787|2.984522|0.078101|3.911452|7.453208|5.654847|8.926961|17.715453|8.930027|5.654920|4.926566|3.543887|4.917757|1.935022|0.024712|0.024658|0.023071|0.021919|0.021603|0.023324|0.026007|0.028702|0.028460|0.033194|0.033351|0.038765|0.039615|0.040731|0.040028|0.048649|0.046034|0.058053|0.055376|0.059701|0.056258|0.046899|0.049253|0.076057|0.074836|0.114422|0.112756|0.216825|0.500000| |0.826740|0.821737|0.779213|0.771432|0.804588|0.852497|0.862044|1.623718|0.966382|1.025890|0.028374|1.107214|1.599707|0.032709|0.031758|1.283646|1.362411|2.046755|1.561843|1.743556|2.626503|1.825102|1.620327|2.221166|2.552746|0.069372|3.133178|6.511375|4.951071|5.637373|8.923104|17.725067|8.889089|5.619032|4.079098|4.361295|1.807293|0.023420|0.023543|0.022018|0.020913|0.020577|0.022103|0.024521|0.026822|0.026871|0.030693|0.031241|0.035224|0.036537|0.037744|0.036466|0.043663|0.040705|0.049460|0.047191|0.053863|0.049397|0.043120|0.045434|0.061815|0.061478|0.087769|0.086198|0.124319|0.214349|0.500000| |0.870657|0.862919|0.815659|0.805329|0.839828|0.892549|0.905573|1.712267|1.019827|1.088637|0.030325|1.176140|1.707044|0.035225|0.033692|1.368410|1.459447|2.186815|1.651388|1.821240|2.810953|1.980297|1.768568|2.338202|2.813713|0.079021|3.336847|7.616052|5.669129|4.967755|5.669635|8.919457|17.704549|8.980981|7.004524|4.917580|1.907515|0.024607|0.024928|0.023162|0.021883|0.021437|0.023014|0.025663|0.028116|0.028451|0.032318|0.033378|0.037092|0.039228|0.040960|0.038704|0.046693|0.042477|0.051067|0.048523|0.059826|0.052605|0.047226|0.050394|0.063334|0.063572|0.089466|0.087726|0.107827|0.124335|0.215226|0.500000| |1.022334|1.013150|0.949236|0.935458|0.981675|1.054102|1.072380|2.049889|1.234733|1.335057|0.037356|1.466558|2.153474|0.044783|0.041868|1.757361|1.890445|2.886078|2.131022|2.358408|3.882615|2.826431|2.461642|3.216296|4.266428|0.133562|4.687344|12.325840|6.688016|4.585853|3.969744|4.291654|5.893787|8.843953|17.551098|7.240070|2.315034|0.028878|0.029479|0.026995|0.025323|0.024740|0.026823|0.030475|0.033845|0.034600|0.039954|0.042076|0.046881|0.051294|0.053638|0.048904|0.060432|0.053124|0.064098|0.061702|0.090969|0.072885|0.065886|0.071145|0.081440|0.086249|0.110850|0.117438|0.107768|0.090407|0.099508|0.153152|0.500000| |1.021648|1.005582|0.940519|0.922223|0.963461|1.034799|1.059307|2.029394|1.215218|1.321838|0.037044|1.442402|2.141489|0.044680|0.042009|1.739695|1.909194|2.905339|2.202711|2.429892|3.965871|2.759275|2.442168|3.264144|4.420532|0.127808|4.821523|12.572699|6.765465|4.613328|3.974048|4.277740|5.852535|8.851414|17.567049|8.416304|2.315222|0.028961|0.029461|0.027026|0.025161|0.024381|0.026228|0.029781|0.033266|0.033824|0.039202|0.040993|0.046288|0.050050|0.054520|0.049932|0.063829|0.054918|0.067604|0.062265|0.086478|0.069655|0.063892|0.072109|0.085278|0.083689|0.122211|0.111864|0.108533|0.090501|0.099078|0.151402|0.303208|0.500000| |0.950920|0.939437|0.883397|0.869284|0.907394|0.969404|0.987775|1.879429|1.122343|1.208396|0.033890|1.310697|1.917850|0.039957|0.037596|1.541293|1.657607|2.485265|1.856773|2.024769|3.215633|2.298814|2.063763|2.618498|3.303192|0.096852|3.669529|8.903631|5.576622|4.173611|3.970938|4.744250|7.254375|8.881075|17.580609|5.942070|2.106605|0.026845|0.027387|0.025229|0.023665|0.023059|0.024784|0.027886|0.030738|0.031384|0.035686|0.037403|0.041210|0.044518|0.047181|0.043458|0.053133|0.046987|0.056016|0.053005|0.071409|0.059611|0.055165|0.059993|0.068833|0.069686|0.093972|0.092168|0.095914|0.090368|0.113035|0.223648|0.301180|0.300802|0.500000| 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