Version2.0 2019-11-14T18:40:37Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(no1)[C@@H]2C(=C(NO2)C)C(=O)N3C[C@@H](C4(C3)CC[NH2+]CC4)C(=O)N[C@@H](C)C5=C(N=N[C@@H]5C)C C39674458 RHF 6-31G(d) (6D,7F) Cc1cc(no1)[C@@H]2C(=C(NO2)C)C(=O)N3C[C@@H](C4(C3)CC[NH2+]CC4)C(=O)N[C@@H](C)C5=C(N=N[C@@H]5C)C C01[X(C25H36N7O4)] 210 C1 612 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)C1=C(C)NO[C@@H]1c1noc(c1)C)N[C@H](C1=C(C)N=N[C@@H]1C)C O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)C1=C(C)NO[C@@H]1c1noc(c1)C)N[C@H](C1=C(C)N=N[C@@H]1C)C C[C@H](NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)C3=C(C)NO[C@@H]3c4cc(C)on4)C5=C(C)N=N[C@@H]5C InChIKey=MPCDEMDYGICRGD-UIDUWAOXSA-O InChI=1S/C25H35N7O4/c1-13-10-19(31-35-13)22-21(17(5)30-36-22)24(34)32-11-18(25(12-32)6-8-26-9-7-25)23(33)27-14(2)20-15(3)28-29-16(20)4/h10,14-15,18,22,26,30H,6-9,11-12H2,1-5H3,(H,27,33)/p+1/t14-,15+,18+,22+/m0/s1 InChI=1/C25H35N7O4/c1-13-10-19(31-35-13)22-21(17(5)30-36-22)24(34)32-11-18(25(12-32)6-8-26-9-7-25)23(33)27-14(2)20-15(3)28-29-16(20)4/h10,14-15,18,22,26,30H,6-9,11-12H2,1-5H3,(H,27,33)/p+1/t14-,15+,18+,22+/m0/s1/fC25H36N7O4/h26-27H/q+1 Cc1cc(no1)[C@@H]2C(=C(NO2)C)C(=O)N3C[C@@H](C4(C3)CC[NH2+]CC4)C(=O)N[C@@H](C)C5=C(N=N[C@@H]5C)C C01[X(C25H36N7O4)] 210 C01 612 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)C1=C(C)NO[C@@H]1c1noc(c1)C)N[C@H](C1=C(C)N=N[C@@H]1C)C CC1=C[C@H](NO1)[C@H]1ONC(=C1C(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)C(=O)N[C@H](C1=C(C)N=N[C@@H]1C)C)C C[C@H](NC(=O)[C@H]1CN(CC12CC[NH2]CC2)C(=O)C3=C(C)NO[C@@H]3[C@H]4NOC(=C4)C)C5=C(C)N=N[C@@H]5C InChIKey=HCZUKULTLUKWLF-ZFXNLMIMSA-N InChI=1S/C25H38N7O4/c1-13-10-19(31-35-13)22-21(17(5)30-36-22)24(34)32-11-18(25(12-32)6-8-26-9-7-25)23(33)27-14(2)20-15(3)28-29-16(20)4/h10,14-15,18-19,22,30-31H,6-9,11-12,26H2,1-5H3,(H,27,33)/t14-,15+,18+,19-,22+/m0/s1 InChI=1/C25H38N7O4/c1-13-10-19(31-35-13)22-21(17(5)30-36-22)24(34)32-11-18(25(12-32)6-8-26-9-7-25)23(33)27-14(2)20-15(3)28-29-16(20)4/h10,14-15,18-19,22,30-31H,6-9,11-12,26H2,1-5H3,(H,27,33)/t14-,15+,18+,19-,22+/m0/s1/f/h27H 4094.4604568373 -1647.9085819 1-A 21411.2789 133 479 612 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.72133 -20.69017 -20.63581 -20.60684 -15.85886 -15.71832 -15.69201 -15.68984 -15.68368 -15.67819 -15.67607 -11.46067 -11.44796 -11.44688 -11.44208 -11.39619 -11.38787 -11.38523 -11.38463 -11.37876 -11.37163 -11.37109 -11.37077 -11.36931 -11.36177 -11.35328 -11.33543 -11.33265 -11.31651 -11.31279 -11.31138 -11.30920 -11.30728 -11.30349 -11.29742 -11.29257 -1.58721 -1.54525 -1.50254 -1.49433 -1.48094 -1.45818 -1.36525 -1.34395 -1.27547 -1.25557 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12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 1.00783 12.00000 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 11547.1120 31177.3160 34535.8690 0.99999 0.00431 0.00136 -0.00426 0.99956 -0.02950 -0.00148 0.02949 0.99956 1 0.00750 0.00278 0.00251 0.15629 0.05789 0.05226 13.58 18.73 30.22 41.05 48.80 58.05 75.08 76.18 91.40 93.58 102.04 113.37 140.58 168.14 176.01 182.11 186.09 218.96 232.44 240.86 255.56 260.64 290.83 307.09 314.80 334.24 343.81 363.11 375.87 384.64 401.60 410.09 437.11 450.22 463.17 470.09 507.53 523.58 547.98 561.35 592.36 593.80 612.11 644.42 667.60 698.90 712.87 726.81 741.28 762.95 787.28 803.15 868.59 891.53 922.46 966.65 983.05 993.62 1007.84 1010.63 1041.35 1055.99 1138.52 1157.39 1159.33 1195.16 1208.28 1225.81 1246.72 1259.28 1260.73 1267.01 1281.33 1320.02 1358.46 1366.28 1373.89 1411.49 1425.92 1432.25 1484.31 1509.34 1513.55 1526.34 1531.51 1541.82 1555.41 1571.19 1580.72 1589.54 1593.14 1609.48 1620.40 1623.30 1631.63 1633.56 1654.48 1676.39 1686.44 1693.42 1693.50 1699.95 1709.31 1738.28 1744.07 1750.39 1784.72 1797.11 1806.18 1825.43 1835.12 1843.34 1881.55 1890.94 1900.23 1917.15 1942.18 1966.42 1977.26 1978.25 2021.01 2035.48 2054.54 2061.91 2085.31 2089.95 2094.24 2097.67 2117.73 2124.82 2143.95 2144.21 2164.77 2175.17 2188.13 2205.24 2227.41 2235.69 2238.28 2241.29 2243.34 2249.81 2254.95 2256.78 2259.45 2266.59 2270.15 2275.96 2300.65 2327.07 2330.72 2334.26 2340.03 2347.19 2347.35 2356.23 2357.73 2359.75 2362.36 2364.09 2369.30 2372.43 2390.98 2419.68 2445.95 2464.02 2472.76 2612.94 2626.30 2628.04 2632.81 2729.13 2733.57 2742.92 4599.90 4619.62 4626.00 4628.57 4629.58 4639.92 4640.88 4646.20 4655.21 4673.78 4686.63 4706.44 4710.97 4711.23 4718.72 4719.76 4728.47 4729.72 4731.56 4734.01 4739.62 4748.12 4748.22 4756.39 4769.56 4774.27 4774.70 4783.89 4797.62 4804.65 4843.80 5001.48 5264.08 5364.98 5439.95 5582.61 0.660778 0.694331 0.695275 0.590917 -1647.247804 -1647.214251 -1647.213307 -1647.317665 3.500184D-04 MUNgauss RevisionA1.9 retrievium 14-Nov-2019 DUDE Cc1cc(no1)[C@@H]2C(=C(NO2)C)C(=O)N3C[C@@H](C4(C3)CC[NH2+]CC4)C(=O)N[C@@H](C)C5=C(N=N[C@@H]5C)C C39674458 RHF 6-31G(d) (6D,10F) C1 498.282831 |X|Y|Z| 49.643808 65.654009 120.979921 73.329695 29 6 7 8 20 7 2 |36.858105| |12.788007|36.858105| |7.316542|14.174409|36.858105| |5.216901|8.787035|13.360993|36.858105| |5.311756|8.665737|8.508746|14.847261|53.358707| |7.931362|14.341762|8.716981|8.997459|19.038821|73.516695| |3.722979|5.216615|7.188982|12.617163|10.728773|9.511265|36.858105| |3.334697|4.504597|5.532741|9.037488|10.288515|8.840816|17.636548|0.500000| |3.277106|4.300927|5.617302|7.509483|7.652502|7.641475|12.510992|0.239596|36.858105| |3.033467|3.803199|5.044407|5.749872|5.883505|6.377193|8.286320|0.169880|14.250032|36.858105| |3.159330|3.964162|5.481016|5.940396|5.846626|6.439012|8.355248|0.170564|8.488590|13.738499|53.358707| |3.418889|4.504791|6.305375|7.936803|7.404615|7.608652|13.503612|0.263483|8.297910|8.492994|18.502895|73.516695| |2.614892|3.096272|3.853937|4.063102|4.497796|5.157063|5.034863|0.115911|7.357516|12.734371|10.555204|9.308551|36.858105| |3.053692|3.857999|4.557113|5.720933|6.845470|7.133799|7.020595|0.169127|12.885186|7.701226|7.101814|9.035602|6.054776|36.858105| |2.846590|3.436703|3.970123|4.506292|5.465879|6.140907|5.096759|0.123452|8.135757|6.689293|6.218189|7.369653|6.479045|15.786306|73.516695| |2.919472|3.654424|4.031423|5.223850|7.110279|7.250170|5.976514|0.165609|7.731006|5.180005|5.514014|7.602208|4.265687|13.960665|15.289098|53.358707| |2.648277|3.151987|3.306548|3.944496|5.589865|6.227317|4.149538|0.114794|5.036435|3.899243|4.307552|5.768747|3.522916|7.887064|12.816740|17.842379|36.858105| |2.519391|2.959815|2.989481|3.588873|5.438151|6.103068|3.667451|0.107231|3.998056|3.172016|3.713602|5.165339|2.830705|5.253970|8.238625|11.129748|12.430398|36.858105| |2.800029|3.295990|3.217509|3.851285|6.157492|7.048820|3.709023|0.107733|3.863055|3.063067|3.665319|5.176170|2.695196|4.852126|7.567102|9.588093|8.942040|17.495210|0.500000| |2.424763|2.898627|2.994914|3.748040|5.659794|6.019912|4.067249|0.127683|4.250071|3.321398|3.951055|5.681413|2.875702|5.168026|7.548452|10.982611|7.871190|12.317020|0.248356|36.858105| |2.821252|3.547889|3.827481|5.208590|7.672517|7.402612|6.064063|0.198450|6.274073|4.408266|5.129694|7.649943|3.547710|7.485265|9.419635|17.829079|7.862500|8.026738|0.200020|12.334911|36.858105| |2.067783|2.419900|2.545643|3.083367|4.407214|4.822555|3.488115|0.108104|3.789501|3.121268|3.692949|5.155023|2.809847|4.521563|6.973738|8.367447|6.210575|7.435501|0.152565|12.304180|7.509595|36.858105| |1.923517|2.241180|2.369547|2.864724|4.058817|4.439844|3.304819|0.105947|3.418401|2.905921|3.565507|5.066752|2.600212|3.726883|5.738605|6.259028|4.270725|4.848694|0.113126|7.416735|5.908109|12.502673|36.858105| |1.882878|2.170858|2.240810|2.685637|3.932920|4.372949|2.967843|0.095784|2.925543|2.506428|3.168401|4.582772|2.233190|3.117816|4.841519|5.194018|3.632953|4.414454|0.109596|6.483450|4.992171|7.702642|12.658714|53.358707| |1.770981|2.027295|2.097627|2.487143|3.601206|4.041770|2.757405|0.088960|2.683064|2.347860|3.018835|4.371226|2.102104|2.781530|4.358521|4.457511|3.081673|3.588270|0.091295|4.897599|4.148904|5.679957|9.157550|25.693884|0.500000| |1.785659|2.031809|2.075017|2.442729|3.589668|4.079816|2.643066|0.083151|2.643600|2.287442|2.880686|4.103933|2.072826|2.870743|4.561357|4.770821|3.513000|4.385540|0.108299|5.935245|4.345239|7.150106|9.204581|25.644862|0.327361|0.500000| |2.136408|2.495405|2.535476|3.105840|4.753905|5.196064|3.334942|0.110444|3.141187|2.624351|3.357995|5.002544|2.276465|3.304965|5.005950|5.638795|3.831823|4.864975|0.129027|7.426121|5.874586|6.462600|7.635748|17.226219|0.254185|0.255835|36.858105| |2.342098|2.752006|2.753956|3.389117|5.352704|5.854862|3.516233|0.112708|3.409200|2.769862|3.454275|5.076627|2.404206|3.804768|5.739141|7.002035|5.030444|7.501002|0.201763|12.372465|7.418591|7.499090|6.487519|10.535055|0.158195|0.199928|12.520677|36.858105| |2.158795|2.441223|2.434437|2.796491|4.170072|4.916194|2.838219|0.082258|3.073815|2.580044|3.074500|4.200619|2.393778|3.847385|6.495218|6.944165|7.332956|12.481261|0.251811|7.290321|4.997483|6.207541|4.276890|5.519901|0.092858|0.120589|4.177237|5.923604|36.858105| |1.950968|2.188226|2.183187|2.501741|3.723305|4.395919|2.567281|0.075680|2.722219|2.324715|2.818079|3.873740|2.163055|3.261530|5.467703|5.680563|5.277995|7.955529|0.178673|6.599737|4.386815|6.358651|4.602886|6.253271|0.103796|0.146336|4.511816|6.147250|15.750597|73.516695| |2.122660|2.351875|2.326921|2.591022|3.810231|4.641325|2.580542|0.072779|2.832591|2.432419|2.894261|3.879024|2.310211|3.554873|6.329247|5.978385|6.432676|7.858714|0.192494|5.010344|3.997296|4.483525|3.341440|4.299971|0.075279|0.092914|3.242179|4.253163|14.214810|15.114538|53.358707| |1.862291|2.017154|1.984921|2.165327|3.158844|3.925886|2.152808|0.060687|2.331340|2.059923|2.492492|3.321596|1.988637|2.809172|5.068975|4.480393|4.334804|4.986523|0.129221|3.752061|3.085096|3.571755|2.840409|3.743944|0.067077|0.082533|2.763143|3.423815|7.718149|12.067638|17.672144|36.858105| |1.732823|1.883573|1.870087|2.052819|2.976732|3.659263|2.074503|0.059035|2.243871|1.992723|2.416769|3.223707|1.929029|2.677323|4.795828|4.271789|4.025477|4.679690|0.116609|3.744494|3.007218|3.764978|3.009719|3.966830|0.071014|0.089335|2.836008|3.441372|7.374062|13.569924|12.671817|17.666210|0.500000| |1.785497|1.910676|1.890351|2.021862|2.890550|3.635592|2.009817|0.055704|2.209674|1.992586|2.402169|3.144136|1.968408|2.658302|4.975400|4.050008|3.848809|3.960634|0.103549|3.089258|2.693806|3.003304|2.447179|3.163247|0.057744|0.068423|2.318164|2.772329|5.188212|8.091152|10.641156|12.459650|0.248090|36.858105| |1.841731|1.965881|1.897760|2.052247|3.043076|3.857721|2.000717|0.056626|2.108394|1.869470|2.304622|3.103399|1.787285|2.466047|4.375885|3.897515|3.558631|4.222695|0.118436|3.326923|2.776510|3.065108|2.544547|3.491643|0.063253|0.077226|2.645582|3.255136|5.898717|10.020107|10.501797|12.626852|0.250554|7.529797|36.858105| |1.706758|1.815261|1.749839|1.895240|2.819545|3.572521|1.854403|0.053035|1.923800|1.714892|2.139546|2.901657|1.633487|2.201491|3.855152|3.466321|3.036780|3.659042|0.102716|3.079688|2.551723|2.883738|2.473324|3.497146|0.063906|0.078746|2.636448|3.163655|4.918292|9.356036|7.439257|7.474647|0.198441|5.207259|14.370057|36.858105| |1.690851|1.770624|1.683958|1.801315|2.694658|3.481819|1.735947|0.049475|1.776095|1.593195|2.010770|2.734668|1.514074|1.997572|3.491811|3.094799|2.634004|3.102853|0.090334|2.669899|2.288707|2.458113|2.162833|3.091865|0.057343|0.068525|2.378946|2.802127|3.823502|7.020409|5.684552|5.099559|0.130673|4.098815|8.432846|13.262656|53.358707| |1.797713|1.865528|1.758488|1.862103|2.789291|3.657281|1.771500|0.050000|1.815911|1.629739|2.054944|2.785212|1.550460|2.048224|3.606002|3.147103|2.690588|3.101301|0.092307|2.608246|2.287575|2.360478|2.062211|2.907348|0.053938|0.063340|2.263491|2.687302|3.708758|6.437064|5.753352|5.018204|0.120256|4.264194|8.204390|8.685347|21.217800|53.358707| |1.928741|2.020283|1.916240|2.034401|3.032006|3.949978|1.938684|0.054286|2.023352|1.804532|2.243449|3.018652|1.723785|2.336494|4.165337|3.612224|3.211880|3.660688|0.108443|2.916491|2.551410|2.620316|2.222055|3.057839|0.056101|0.066221|2.370680|2.882353|4.516147|7.360823|7.770525|7.077242|0.149818|5.961468|12.648542|8.441318|11.710030|17.744589|36.858105| |1.830463|1.899138|1.809725|1.898268|2.788458|3.651905|1.814073|0.050386|1.908095|1.723006|2.141526|2.852629|1.666519|2.196760|3.980858|3.323216|2.935110|3.196965|0.092830|2.588078|2.311484|2.374480|2.030172|2.760791|0.051098|0.059475|2.113933|2.516255|3.844206|6.275578|6.678843|6.245884|0.135490|6.302729|8.852900|6.461346|9.029611|12.681761|17.511602|0.500000| |2.267339|2.369934|2.205844|2.331078|3.530914|4.687140|2.166073|0.060164|2.245711|1.980336|2.461713|3.329623|1.868615|2.602148|4.608604|4.032578|3.573851|4.041679|0.127893|3.131164|2.818084|2.689853|2.268201|3.109517|0.056858|0.066010|2.480777|3.076765|4.578388|7.023801|7.675335|5.629918|0.121416|4.909318|7.320430|5.521795|7.768542|10.633204|12.455782|0.246590|36.858105| |1.569154|1.678135|1.634631|1.782999|2.635061|3.295116|1.773468|0.051247|1.834296|1.642632|2.057028|2.796043|1.566273|2.077358|3.611881|3.269764|2.802174|3.385600|0.091880|3.018636|2.459449|2.950928|2.591078|3.728854|0.068526|0.086416|2.723394|3.162467|4.512815|9.559348|6.205736|5.801203|0.184170|4.260384|7.352512|12.755396|10.388345|7.302340|5.087658|0.120991|3.907235|36.858105| |17.573640|8.967702|5.811735|4.557870|6.574206|12.526230|3.370814|0.086601|2.911712|2.702382|3.885020|5.597746|2.337582|2.706440|4.457491|3.592876|2.405353|2.343847|0.072383|2.289523|2.625193|1.959790|1.847758|2.496250|0.048232|0.048325|2.093179|2.264124|2.030607|3.305227|2.698900|1.756929|0.045655|1.673805|1.755881|1.645988|2.236339|2.367637|1.839590|0.048359|2.146355|1.521180|0.500000| |17.572530|8.962623|5.796038|4.547254|6.562750|12.547440|3.367957|0.084840|3.086596|2.829696|3.881350|5.384653|2.490495|3.000305|5.059116|3.963589|2.722398|2.598512|0.081266|2.434365|2.773203|2.065536|1.896168|2.531612|0.048319|0.049440|2.106342|2.349296|2.247936|3.582085|3.054055|1.971363|0.050432|1.897352|1.963489|1.806095|2.450899|2.636685|2.088800|0.055146|2.500818|1.640238|0.301622|0.500000| |17.617310|8.976270|6.831091|4.658949|6.001611|10.254372|3.504287|0.085821|3.155953|3.034014|4.369372|5.969480|2.664495|2.901472|4.903919|3.678328|2.454784|2.297363|0.069556|2.216800|2.573967|1.928880|1.802481|2.381247|0.045947|0.046120|1.953945|2.119076|1.989062|3.206870|2.679311|1.740861|0.045166|1.689185|1.710186|1.584826|2.132095|2.262791|1.785514|0.047523|2.071537|1.463409|0.300300|0.300274|0.500000| |6.248732|8.743128|17.837955|8.472982|7.942413|10.502886|6.237126|0.132587|5.306519|5.315899|8.363901|11.275965|4.168584|4.210722|6.800278|4.880369|2.989742|2.663662|0.077967|2.666243|3.338710|2.337027|2.191917|2.797218|0.053863|0.053031|2.275692|2.437195|2.214700|3.552432|2.910135|1.845812|0.048506|1.781422|1.756473|1.621157|2.122910|2.214758|1.771892|0.046930|2.015429|1.520607|0.140418|0.139764|0.186647|0.500000| |2.752210|3.329218|4.337025|4.641812|4.890914|5.489322|6.251902|0.144102|6.325114|9.406214|25.895783|17.498608|7.022633|4.342796|6.958662|4.785045|2.822326|2.472661|0.067194|2.659511|3.349031|2.553204|2.520437|3.044541|0.059935|0.056454|2.332534|2.351752|2.086008|3.443389|2.670711|1.709696|0.046404|1.651436|1.582044|1.478424|1.891185|1.923490|1.534050|0.040790|1.665260|1.432561|0.070420|0.069435|0.078060|0.133801|0.500000| |2.417641|2.837314|3.404168|3.676615|4.241992|4.852358|4.506216|0.108586|6.766322|8.917005|7.757383|7.796294|17.690254|6.593621|13.796254|6.289079|3.906624|3.044176|0.078624|3.062930|3.704272|3.068224|2.782551|3.186198|0.060756|0.060677|2.346435|2.499666|2.588041|4.137063|3.407526|2.144183|0.058010|2.133656|1.895170|1.722127|2.150603|2.196129|1.807986|0.048628|1.943913|1.654555|0.060342|0.065055|0.067557|0.098637|0.147227|0.500000| |2.377577|2.764595|3.395011|3.537116|3.973129|4.602449|4.365594|0.104204|5.644358|8.937768|9.943421|8.695657|17.562927|4.636639|8.515611|4.824851|2.989393|2.489728|0.065921|2.570879|3.102136|2.558487|2.434209|2.861658|0.055701|0.054157|2.122818|2.195855|2.145487|3.503756|2.811073|1.805843|0.049040|1.788065|1.634213|1.507770|1.908768|1.946232|1.575032|0.042392|1.692105|1.457129|0.059937|0.062493|0.067799|0.103210|0.215936|0.298820|0.500000| |2.753673|3.200831|3.968872|3.937575|4.371510|5.185415|4.491011|0.102573|6.115577|9.007985|8.974505|8.217378|17.574833|5.374130|10.859612|5.282048|3.330713|2.680950|0.072063|2.646875|3.203719|2.543828|2.333053|2.780114|0.053368|0.053185|2.100387|2.242855|2.292152|3.659295|3.068196|1.952161|0.052113|1.955815|1.763859|1.604408|2.037552|2.102881|1.722070|0.046530|1.879619|1.525028|0.067423|0.073223|0.079348|0.123093|0.161238|0.302754|0.301406|0.500000| |2.338072|2.725774|2.890640|3.360388|4.620935|5.241985|3.644967|0.100762|4.532251|3.709339|4.062398|5.296224|3.524398|6.843721|12.496288|12.301222|17.563641|8.709287|0.174412|6.556134|6.171906|6.361994|4.308104|4.797776|0.083767|0.095948|3.509239|4.361580|6.865990|9.249007|8.564823|4.425557|0.117965|4.060609|3.466554|2.962985|3.443537|3.479827|3.051818|0.078965|3.251357|2.786676|0.059356|0.066481|0.061197|0.074552|0.075421|0.112864|0.083798|0.091643|0.500000| |2.837484|3.332506|3.436692|3.932095|5.557743|6.480095|3.914292|0.104220|4.727264|3.773348|4.193564|5.520611|3.476715|7.185284|13.147392|12.414431|17.622065|8.672370|0.221967|5.676328|5.915833|4.608387|3.443636|4.148182|0.073495|0.082676|3.253465|4.169225|6.243434|8.046962|8.701504|4.368841|0.107656|4.060746|3.631436|3.019761|3.627654|3.803205|3.413766|0.087681|3.947715|2.702840|0.070466|0.082711|0.073068|0.086446|0.075643|0.105699|0.081196|0.094762|0.303562|0.500000| |3.208790|4.164230|4.376695|6.303799|10.494619|9.278635|6.624265|0.224381|5.907194|4.195740|5.133111|8.029421|3.307507|6.321480|8.225660|12.317708|6.245569|6.749568|0.198912|8.765725|17.607366|5.529465|4.777446|6.086312|0.106250|0.109075|5.742761|7.234330|4.442949|6.996945|4.992275|2.885674|0.077045|2.523431|2.687371|2.488161|3.104759|3.129017|2.533025|0.063416|2.861877|2.371674|0.083391|0.086949|0.079404|0.101665|0.091852|0.092705|0.080918|0.084832|0.135273|0.146858|0.500000| |2.627059|3.284940|3.653591|4.964071|6.835146|6.630531|6.494610|0.232746|6.570962|4.721870|5.564674|8.467439|3.727355|6.827161|8.701890|12.366867|5.876778|5.736935|0.142761|8.663986|17.573769|7.231723|6.668467|7.156277|0.125210|0.121117|5.842758|6.181077|4.093057|6.723730|4.575152|2.704838|0.074576|2.404084|2.442699|2.280700|2.798978|2.778203|2.244935|0.057159|2.433317|2.239769|0.068504|0.070508|0.067607|0.090673|0.103004|0.107508|0.092367|0.090550|0.144090|0.129168|0.301383|0.500000| |2.069208|2.427780|2.604858|3.137335|4.328912|4.734741|3.653422|0.110182|4.218335|3.490951|3.996657|5.429956|3.198045|5.236822|8.191527|9.355983|6.799405|6.637849|0.137095|8.751925|7.192465|17.575450|9.014791|7.642089|0.127158|0.144676|4.889958|5.483391|5.489576|9.311998|5.850290|3.425974|0.099353|3.003137|2.873991|2.654513|3.098512|3.014239|2.487796|0.063697|2.562404|2.678790|0.053956|0.057286|0.054159|0.067282|0.076843|0.099903|0.080164|0.079130|0.215367|0.136971|0.142866|0.202368|0.500000| |1.916156|2.199197|2.278892|2.685710|3.860592|4.359120|2.945394|0.089199|3.191306|2.705663|3.231454|4.448700|2.500673|3.805528|6.166331|6.725930|5.551575|6.990231|0.143819|8.784496|5.518582|17.633578|8.945608|9.395554|0.145028|0.208612|5.585035|6.598220|7.208781|14.952621|6.827398|4.090066|0.125304|3.330495|3.429093|3.252983|3.660336|3.453634|2.821907|0.070750|2.809074|3.418454|0.050611|0.053677|0.049750|0.058469|0.062396|0.076001|0.063661|0.063905|0.165011|0.119680|0.123279|0.143343|0.303510|0.500000| |2.008428|2.370121|2.550045|3.138239|4.366148|4.673987|3.770259|0.125026|3.824315|3.237502|4.008627|5.803671|2.827861|3.975003|5.951648|6.462330|4.079375|4.376571|0.105704|6.575403|6.325218|8.692463|17.629115|12.462320|0.222780|0.181213|7.068002|5.743119|3.692379|6.752884|4.066506|2.539025|0.073303|2.234336|2.297848|2.220908|2.692001|2.597291|2.052521|0.052420|2.126533|2.289335|0.053599|0.054346|0.052407|0.065606|0.079176|0.083072|0.073997|0.069369|0.112184|0.092582|0.142605|0.228424|0.213904|0.173263|0.500000| |1.744817|2.004476|2.120747|2.504329|3.495055|3.905734|2.875246|0.089822|3.018997|2.654574|3.267781|4.544483|2.443792|3.273764|5.219927|5.241631|3.696334|4.041585|0.095153|5.432921|4.537054|8.788341|17.626351|12.355698|0.224222|0.221855|5.592091|4.874892|3.798091|7.407367|4.182933|2.696648|0.080824|2.358493|2.402158|2.352595|2.792229|2.647145|2.086969|0.053508|2.094511|2.507369|0.046618|0.047850|0.045808|0.055244|0.065085|0.073217|0.064401|0.060965|0.107759|0.084901|0.105225|0.140271|0.211983|0.218554|0.301466|0.500000| |2.252147|2.674734|2.760919|3.464380|5.260175|5.570879|3.823690|0.132823|3.462091|2.872440|3.731355|5.719681|2.434786|3.491531|5.169574|5.816225|3.708344|4.400883|0.118367|6.608867|6.314897|5.745453|7.070210|12.431009|0.221690|0.181009|17.616354|8.709050|3.635784|6.671916|3.977447|2.487449|0.070119|2.139160|2.372377|2.336060|2.908481|2.807347|2.167748|0.054289|2.297845|2.378332|0.061401|0.060770|0.057260|0.068596|0.072072|0.068861|0.063313|0.061830|0.093800|0.088065|0.177548|0.190481|0.130086|0.131314|0.216650|0.145014|0.500000| |2.030326|2.329610|2.328458|2.785594|4.293601|4.846165|2.909792|0.094532|2.710598|2.314230|3.009939|4.469342|2.028899|2.816120|4.355929|4.645211|3.235281|4.054323|0.111623|5.435432|4.511596|4.855329|5.591281|12.347758|0.224106|0.221688|17.627924|8.778789|3.678686|7.199075|4.006629|2.585924|0.073784|2.171437|2.546927|2.598652|3.246771|3.061433|2.302502|0.056915|2.392418|2.715081|0.055943|0.055717|0.051518|0.058239|0.058402|0.057685|0.052966|0.052535|0.082869|0.078834|0.128060|0.123495|0.107550|0.125429|0.145138|0.126471|0.301090|0.500000| |2.153137|2.467662|2.440232|2.901988|4.524477|5.169595|2.963421|0.091999|2.932318|2.445659|3.051835|4.391945|2.176670|3.309905|5.191567|5.890303|4.594945|7.067844|0.189072|8.853121|5.483929|6.644584|5.639603|9.484353|0.145849|0.211758|8.932345|17.595550|6.756455|14.120336|6.365875|3.856411|0.109589|2.998567|3.737705|3.729966|4.391970|4.104136|3.200978|0.076275|3.319373|3.808518|0.057987|0.060710|0.054352|0.060671|0.058112|0.063240|0.055481|0.056960|0.114400|0.108663|0.146930|0.130580|0.136658|0.189117|0.131873|0.126740|0.173097|0.216846|0.500000| |2.611284|3.092997|3.017239|3.742508|6.260113|6.847995|3.695451|0.118249|3.444353|2.780481|3.520373|5.261381|2.380120|3.761314|5.637204|6.775107|4.744911|6.750384|0.214096|8.792298|7.028651|5.479182|4.887130|7.648769|0.127066|0.145381|8.991099|17.572083|5.194812|9.009109|5.428661|3.226620|0.087481|2.649927|3.166383|3.063170|3.812815|3.725000|2.913238|0.070290|3.221077|2.970402|0.070546|0.072874|0.064494|0.072688|0.065875|0.067657|0.060194|0.062367|0.110239|0.114849|0.226548|0.157548|0.123280|0.136143|0.129353|0.107620|0.212590|0.211884|0.303440|0.500000| |2.299227|2.547706|2.514629|2.772852|4.057396|4.993071|2.720903|0.075301|3.028428|2.592408|3.056612|4.063052|2.468315|3.884206|7.083666|6.412434|7.195810|7.546332|0.197903|4.710432|4.045556|4.088858|3.095585|3.938462|0.069708|0.083054|3.020807|3.919912|9.442424|10.878736|26.063050|8.978511|0.182383|7.382395|6.354928|4.571918|5.120680|5.430235|5.497287|0.136036|6.024838|3.775585|0.058932|0.068189|0.059216|0.064106|0.057028|0.074259|0.060570|0.067704|0.186662|0.227483|0.104406|0.093487|0.112656|0.120254|0.078985|0.078731|0.077535|0.076045|0.114288|0.105679|0.500000| |1.895719|2.012184|1.975062|2.087567|2.986079|3.809475|2.043502|0.056047|2.246180|2.028067|2.446458|3.192212|2.004068|2.703081|5.110864|4.059329|3.838912|3.838914|0.104045|2.960154|2.658201|2.794848|2.294205|2.971864|0.054458|0.063427|2.218423|2.660064|4.696578|7.086694|9.535648|8.741868|0.173567|17.541582|6.721275|4.649750|5.364456|5.926811|6.399704|0.200179|5.657348|3.693567|0.049075|0.056568|0.049807|0.051685|0.046450|0.059958|0.050298|0.055969|0.109139|0.118210|0.070178|0.065475|0.078038|0.083649|0.059077|0.060839|0.057491|0.057811|0.078620|0.072163|0.213497|0.500000| |1.635308|1.732882|1.710482|1.816602|2.592278|3.281953|1.805627|0.050165|1.964490|1.792042|2.184161|2.858611|1.777514|2.311844|4.304985|3.474883|3.169425|3.291516|0.087112|2.685500|2.357273|2.647585|2.219172|2.903886|0.053611|0.063160|2.114373|2.474006|4.199603|6.975614|7.670927|8.835308|0.212548|17.587447|6.922648|5.232088|5.703284|5.838220|5.647333|0.177566|4.354074|4.358117|0.042874|0.048182|0.043136|0.044997|0.041982|0.053219|0.045299|0.049112|0.092530|0.091650|0.061838|0.059316|0.073129|0.081703|0.056374|0.060090|0.054216|0.055712|0.074706|0.065813|0.145992|0.301956|0.500000| |1.758724|1.895618|1.902421|2.040364|2.875389|3.576902|2.060099|0.056893|2.306986|2.092220|2.494362|3.232261|2.094856|2.809062|5.359966|4.230972|4.057495|3.964418|0.099982|3.133924|2.757264|3.144469|2.539481|3.202596|0.058502|0.068867|2.308128|2.729833|5.034386|7.826612|9.681570|8.815915|0.216444|17.572712|5.500750|4.200759|4.597749|4.696163|4.497586|0.129433|3.992747|3.704073|0.045609|0.051529|0.046519|0.050130|0.047753|0.063962|0.052769|0.057608|0.125388|0.117422|0.070440|0.068995|0.089763|0.096917|0.064422|0.068657|0.059575|0.059400|0.080716|0.071554|0.191056|0.301038|0.300914|0.500000| |2.263958|2.312039|2.124793|2.204770|3.331452|4.527045|2.025445|0.055964|2.078434|1.854058|2.330514|3.148551|1.753602|2.360209|4.189480|3.573531|3.056076|3.357401|0.105888|2.714607|2.508967|2.354033|2.029669|2.794924|0.051723|0.058957|2.234791|2.700952|3.647767|5.765389|5.831008|4.333255|0.098497|4.025080|5.442228|4.539619|6.925420|9.834668|8.860060|0.214052|17.599244|3.368321|0.059882|0.070129|0.057515|0.054143|0.043865|0.050243|0.044329|0.049343|0.077654|0.093847|0.071658|0.061013|0.062652|0.067571|0.053420|0.052306|0.058152|0.060476|0.079808|0.079425|0.127407|0.129229|0.103441|0.093628|0.500000| |2.391903|2.516588|2.360765|2.485802|3.720289|4.921870|2.309771|0.063353|2.441514|2.147799|2.635686|3.529485|2.038540|2.889837|5.213570|4.447136|4.063051|4.363655|0.136726|3.260306|2.990158|2.797565|2.320610|3.109563|0.056703|0.065383|2.464568|3.067385|4.811392|7.007682|8.597825|5.861050|0.122909|5.484100|6.443441|4.686698|6.135675|7.654420|8.772712|0.212808|17.563133|3.505117|0.061879|0.073662|0.060984|0.060050|0.049242|0.059228|0.050796|0.057308|0.102197|0.130971|0.083467|0.071173|0.075463|0.080417|0.060747|0.059471|0.064081|0.064922|0.089846|0.088572|0.210512|0.190288|0.127786|0.125367|0.301913|0.500000| 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