Version2.0 2020-02-05T00:34:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 16-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC[C@H](c1nnnn1C2CCCC2)[NH+](CCc3ccccc3)Cc4cc5cccc(c5[nH]c4=O)C C13500978 RHF 6-31G(d) (6D,7F) CCC[C@H](c1nnnn1C2CCCC2)[NH+](CCc3ccccc3)Cc4cc5cccc(c5[nH]c4=O)C C01[X(C29H37N6O1)] 213 C1 614 CCC[C@H](c1nnnn1C1CCCC1)[NH+](Cc1cc2cccc(c2[nH]c1=O)C)CCc1ccccc1 CCC[C@H](c1nnnn1C1CCCC1)[NH+](Cc1cc2cccc(c2[nH]c1=O)C)CCc1ccccc1 CCC[C@@H]([NH+](CCc1ccccc1)CC2=Cc3cccc(C)c3NC2=O)c4nnnn4C5CCCC5 InChIKey=MFBDYQOGKNYAML-AREMUKBSSA-O InChI=1S/C29H36N6O/c1-3-10-26(28-31-32-33-35(28)25-15-7-8-16-25)34(18-17-22-12-5-4-6-13-22)20-24-19-23-14-9-11-21(2)27(23)30-29(24)36/h4-6,9,11-14,19,25-26H,3,7-8,10,15-18,20H2,1-2H3,(H,30,36)/p+1/t26-/m1/s1 InChI=1/C29H36N6O/c1-3-10-26(28-31-32-33-35(28)25-15-7-8-16-25)34(18-17-22-12-5-4-6-13-22)20-24-19-23-14-9-11-21(2)27(23)30-29(24)36/h4-6,9,11-14,19,25-26H,3,7-8,10,15-18,20H2,1-2H3,(H,30,36)/p+1/t26-/m1/s1/fC29H37N6O/h30,34H/q+1 CCC[C@H](c1nnnn1C2CCCC2)[NH+](CCc3ccccc3)Cc4cc5cccc(c5[nH]c4=O)C C01[X(C29H37N6O1)] 213 C01 614 CCC[C@H](c1nnnn1C1CCCC1)[NH+](Cc1cc2cccc(c2[nH]c1=O)C)CCc1ccccc1 CCC[C@H]([C@@H]1NNNN1C1CCCC1)[NH](Cc1cc2cccc(c2[nH]c1=O)C)CCc1ccccc1 CCC[C@H]([C@@H]1NNNN1C2CCCC2)[NH](CCc3ccccc3)CC4=Cc5cccc(C)c5NC4=O InChIKey=VUTIETSKIPBVOJ-IXCJQBJRSA-N InChI=1S/C29H41N6O/c1-3-10-26(28-31-32-33-35(28)25-15-7-8-16-25)34(18-17-22-12-5-4-6-13-22)20-24-19-23-14-9-11-21(2)27(23)30-29(24)36/h4-6,9,11-14,19,25-26,28,31-34H,3,7-8,10,15-18,20H2,1-2H3,(H,30,36)/t26-,28-/m1/s1 InChI=1/C29H41N6O/c1-3-10-26(28-31-32-33-35(28)25-15-7-8-16-25)34(18-17-22-12-5-4-6-13-22)20-24-19-23-14-9-11-21(2)27(23)30-29(24)36/h4-6,9,11-14,19,25-26,28,31-34H,3,7-8,10,15-18,20H2,1-2H3,(H,30,36)/t26-,28-/m1/s1/f/h30H 3870.8883318641 -1521.0859582 1-A 21777.1545 130 484 614 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.65100 -15.81308 -15.77610 -15.74776 -15.73440 -15.73306 -15.69749 -11.48055 -11.44722 -11.43883 -11.42230 -11.40706 -11.40212 -11.39589 -11.39345 -11.37304 -11.36669 -11.35801 -11.35132 -11.35076 -11.34846 -11.34472 -11.34211 -11.33343 -11.33177 -11.32589 -11.32124 -11.32084 -11.31914 -11.31889 -11.31505 -11.31457 -11.31400 -11.31126 -11.30566 -11.30209 -1.61673 -1.52145 -1.45671 -1.39832 -1.37752 -1.31504 -1.26906 -1.24974 -1.24534 -1.22527 -1.21321 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12.00000 1.00783 12.00000 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 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 1.00783 13412.4294 29231.4385 35006.6656 0.99996 -0.00497 -0.00676 0.00491 0.99995 -0.00812 0.00680 0.00809 0.99994 1 0.00646 0.00296 0.00247 0.13456 0.06174 0.05155 20.19 23.21 30.23 36.04 41.71 52.91 57.86 64.16 68.85 88.77 104.65 120.19 134.86 148.53 164.70 196.76 203.06 220.43 233.61 276.39 286.34 308.03 340.17 371.15 382.28 395.54 407.40 409.78 418.24 448.37 475.62 483.42 499.89 532.69 552.11 608.88 631.11 649.42 654.35 663.24 676.02 711.86 772.26 814.18 828.52 836.49 843.37 847.96 871.08 908.95 929.48 949.43 979.42 995.51 1044.71 1054.69 1078.96 1117.23 1123.14 1151.21 1167.62 1176.97 1187.14 1191.83 1215.11 1223.40 1243.54 1262.05 1278.19 1285.26 1299.25 1352.49 1359.90 1376.23 1385.53 1392.33 1404.32 1413.68 1430.80 1439.49 1477.81 1486.27 1496.08 1509.30 1531.30 1552.14 1567.68 1569.78 1587.02 1591.77 1595.00 1607.68 1616.27 1626.65 1626.85 1630.35 1635.94 1641.96 1656.42 1657.79 1676.28 1691.50 1701.05 1706.66 1731.93 1747.78 1770.79 1786.90 1797.18 1809.26 1831.74 1849.76 1875.49 1882.63 1896.39 1903.74 1908.45 1915.93 1952.73 1955.39 1973.04 1981.55 1988.85 1998.47 2012.47 2014.40 2038.05 2050.01 2053.68 2070.97 2085.38 2098.90 2100.24 2113.13 2134.46 2143.47 2149.11 2150.16 2157.77 2170.77 2210.46 2226.08 2235.01 2237.63 2246.31 2255.94 2262.49 2265.82 2292.64 2304.74 2334.64 2344.43 2348.36 2349.23 2352.06 2352.13 2354.05 2360.71 2360.96 2362.78 2365.77 2369.20 2375.31 2379.41 2382.32 2390.47 2395.30 2405.19 2413.85 2508.13 2569.05 2571.23 2603.38 2605.11 2631.17 2714.31 4600.75 4615.70 4617.99 4621.90 4647.51 4649.44 4653.11 4658.72 4659.50 4669.59 4673.43 4693.45 4705.94 4709.30 4710.43 4714.89 4724.34 4727.00 4732.76 4735.04 4739.58 4751.06 4757.93 4794.43 4815.13 4816.91 4841.97 4853.78 4854.26 4856.06 4864.45 4869.28 4888.47 4893.79 4897.23 5143.09 5542.98 0.678334 0.709565 0.710509 0.610149 -1520.407624 -1520.376393 -1520.375449 -1520.475809 3.366091D-04 MUNgauss RevisionA2.0 retrievium 05-Feb-2020 DUDE CCC[C@H](c1nnnn1C2CCCC2)[NH+](CCc3ccccc3)Cc4cc5cccc(c5[nH]c4=O)C C13500978 RHF 6-31G(d) (6D,10F) C1 485.302885 |X|Y|Z| 73.367355 48.280592 118.589133 74.892808 31 6 7 25 6 |36.858105| |12.462390|36.858105| |7.514128|12.419382|36.858105| |4.849894|7.386251|12.373618|36.858105| |4.614800|7.105813|8.911528|17.597369|0.500000| |3.764174|4.884842|7.493205|12.656155|0.250352|36.858105| |3.171255|3.889993|5.456931|7.643049|0.163958|14.713452|53.358707| |2.745742|3.217658|4.273533|5.337608|0.127681|9.065238|19.436715|53.358707| |2.825859|3.296991|4.359199|5.291910|0.133767|8.918945|12.194853|20.725560|53.358707| |3.407337|4.166468|5.831559|7.531510|0.191822|14.299414|12.171124|12.433145|19.544304|53.358707| |3.453908|4.109680|5.239938|5.915536|0.173553|7.413041|7.237961|7.461754|10.683276|17.625985|36.858105| |2.763918|3.213009|3.768352|4.345955|0.133023|5.209166|5.789398|6.299914|8.669427|10.315625|12.273070|36.858105| |2.465829|2.728208|3.140840|3.383622|0.098960|3.990781|4.737991|5.359100|7.200561|7.463011|7.761703|12.412605|36.858105| |2.766542|2.969567|3.409658|3.430529|0.098714|3.898807|4.525939|4.938754|6.443634|7.095950|7.825267|7.914625|12.444038|36.858105| |3.345165|3.662733|4.529224|4.455025|0.123248|5.278510|5.794502|6.221059|8.476079|10.362956|12.319799|7.686633|7.939628|12.428572|36.858105| |4.187524|6.004028|7.538989|12.634515|0.256664|7.697911|9.129716|6.270102|5.702438|6.943538|4.116010|3.381513|2.736993|2.716034|3.316594|53.358707| |4.586952|6.899727|7.183769|9.459077|0.235673|5.763571|6.769024|5.074840|4.783710|5.795985|3.699889|3.097022|2.536366|2.546810|3.048155|25.550852|0.500000| |3.859077|4.920932|6.165980|7.386786|0.153739|6.090634|8.716157|6.053788|5.196638|5.825636|3.424953|2.845630|2.416045|2.425208|2.951611|17.000034|0.255125|36.858105| |4.048752|4.869836|5.240712|5.276416|0.121424|4.250779|5.804487|4.499294|4.039416|4.490664|2.828592|2.396042|2.084269|2.126600|2.530633|10.221513|0.215304|12.454885|36.858105| |3.326154|3.670746|3.978725|3.914792|0.092365|3.486141|5.016295|4.082561|3.617369|3.852079|2.437348|2.099841|1.874100|1.913667|2.249336|6.710476|0.134067|7.637221|12.573790|36.858105| |2.703866|2.971336|3.169168|3.254580|0.079467|2.998059|4.412004|3.695563|3.255646|3.389816|2.158297|1.909755|1.713313|1.725135|1.988070|5.576123|0.111345|5.758584|7.553304|13.707107|36.858105| |2.354752|2.507042|2.669499|2.698301|0.066753|2.567012|3.804961|3.309534|2.928988|2.990811|1.924249|1.720397|1.569501|1.582877|1.805692|4.366256|0.086711|4.220217|5.014132|7.903241|13.756442|36.858105| |2.370914|2.452052|2.625602|2.568807|0.063243|2.471839|3.644234|3.222230|2.874056|2.921440|1.890933|1.678819|1.550519|1.581344|1.809160|3.984335|0.078850|3.797304|4.428359|6.835254|7.937343|13.748893|36.858105| |2.755936|2.800944|3.031161|2.855988|0.069131|2.722581|3.960422|3.467093|3.111817|3.199658|2.068724|1.802360|1.665630|1.721702|1.998084|4.338404|0.085734|4.210251|5.011695|7.903284|6.886319|7.949933|13.753109|36.858105| |3.368146|3.499489|3.831744|3.542853|0.083571|3.254323|4.659446|3.918658|3.512178|3.703120|2.368186|2.023676|1.840494|1.909304|2.253847|5.518998|0.109312|5.734016|7.546674|13.712962|7.960971|6.886689|7.937632|13.752263|36.858105| |3.217689|4.276683|4.921811|7.603000|0.203155|6.366306|8.321878|6.108244|5.492347|6.331812|3.796042|3.370932|2.688708|2.557157|2.995837|17.134764|0.265441|7.541457|5.309757|3.983925|3.655156|2.935148|2.618062|2.729060|3.279008|36.858105| |2.866582|3.641768|3.842405|5.011920|0.137772|4.268514|5.799374|4.618530|4.189340|4.633493|2.939156|2.696720|2.233197|2.138657|2.434082|10.383967|0.211809|6.151741|5.217414|4.013833|3.919751|3.094559|2.661396|2.688361|3.178734|12.682488|36.858105| |2.409037|2.920633|3.099442|3.853416|0.104646|3.558664|5.103795|4.247744|3.792184|4.013250|2.551031|2.399461|2.031050|1.927269|2.158867|7.154075|0.140497|4.932525|4.333324|3.683908|3.864868|3.135674|2.638934|2.577622|2.940226|7.590566|14.188802|36.858105| |2.160406|2.543726|2.605257|3.065870|0.084458|2.821786|3.986224|3.439702|3.132914|3.294777|2.159084|2.055620|1.774691|1.694898|1.868846|5.361501|0.110965|3.819796|3.679942|3.274254|3.570793|2.982858|2.487505|2.379444|2.648501|4.963313|7.824622|13.225024|36.858105| |1.877013|2.157128|2.224720|2.566320|0.070345|2.443515|3.512833|3.123106|2.838980|2.919034|1.921590|1.853426|1.626534|1.547273|1.688096|4.283272|0.086909|3.152589|3.045136|2.860284|3.207707|2.812301|2.349859|2.201758|2.377498|3.811349|5.124213|7.648976|13.583674|36.858105| |1.720739|1.943794|1.969270|2.214332|0.061121|2.098228|2.976464|2.684264|2.474893|2.547075|1.706211|1.653355|1.467720|1.404074|1.518163|3.598772|0.074367|2.651660|2.646636|2.527493|2.838518|2.557194|2.158970|2.011722|2.141051|3.066535|3.942096|5.105399|7.944472|13.926024|36.858105| |1.759856|1.980962|1.961801|2.174965|0.060594|2.016943|2.804954|2.518903|2.351369|2.452629|1.664374|1.607065|1.426746|1.375472|1.484938|3.523579|0.074790|2.561610|2.633070|2.481045|2.744860|2.455714|2.089333|1.965126|2.104844|2.934279|3.800578|4.538274|6.906887|7.965052|13.616004|36.858105| |1.977060|2.253939|2.193991|2.436634|0.068424|2.199435|3.008292|2.660443|2.496363|2.647351|1.801948|1.724895|1.516910|1.469781|1.595968|4.017515|0.087685|2.858157|2.987138|2.718374|2.942281|2.553852|2.174845|2.078819|2.273497|3.336812|4.519758|5.098744|7.808707|6.766048|7.824337|13.824735|36.858105| |2.231799|2.617791|2.577772|2.950247|0.082688|2.623135|3.588095|3.102546|2.885429|3.088101|2.070126|1.963517|1.699906|1.641637|1.803405|5.090811|0.111594|3.546357|3.625206|3.163978|3.379474|2.820068|2.378819|2.298831|2.573902|4.422495|6.775476|7.830758|13.651517|7.881173|6.872847|8.024404|13.573294|36.858105| |2.606472|3.138814|2.996305|3.430794|0.097749|2.903136|3.844354|3.264183|3.072512|3.375231|2.280346|2.131324|1.823861|1.777235|1.968643|6.055607|0.142026|3.989119|4.162720|3.402346|3.446374|2.806836|2.408724|2.392163|2.753125|5.102050|7.974626|6.983351|7.984599|5.189299|4.581431|5.212145|7.858014|13.735548|53.358707| |2.612637|3.093043|2.853436|3.155193|0.090793|2.652320|3.464944|2.977896|2.839936|3.132377|2.156552|2.017087|1.740106|1.709959|1.882635|5.333666|0.127666|3.531793|3.813832|3.154833|3.158454|2.617784|2.279983|2.277367|2.607797|4.234603|5.810826|5.114119|5.787079|4.253199|4.011936|4.788897|7.281027|9.203783|25.987166|0.500000| |3.051748|3.882748|3.753490|4.526439|0.129784|3.635079|4.704266|3.857149|3.623035|4.080758|2.713072|2.485139|2.080383|2.027946|2.286836|8.683088|0.216318|5.149765|5.081803|3.823436|3.675733|2.916474|2.531873|2.576835|3.057266|7.571076|13.041509|7.851075|6.724072|4.497912|3.777251|3.961788|5.154627|7.823953|19.200891|0.266224|36.858105| |3.660019|4.885627|4.394245|5.132566|0.152654|3.824790|4.705974|3.848563|3.701444|4.301034|2.927498|2.627222|2.186471|2.166508|2.462282|9.365998|0.274852|5.142770|5.228437|3.770165|3.437020|2.751967|2.456998|2.568497|3.098694|6.826232|8.121024|5.382260|4.700774|3.492555|3.058552|3.237132|4.079245|5.381494|11.537356|0.218955|15.611867|73.516695| |1.963406|2.205040|2.088198|2.260006|0.064063|2.015219|2.709046|2.410872|2.294234|2.452430|1.698881|1.624799|1.438021|1.406010|1.518600|3.630439|0.080948|2.560858|2.745047|2.494395|2.638531|2.318440|2.015991|1.948772|2.128186|2.894395|3.700959|3.832234|4.976734|4.403224|4.982872|7.553858|12.608599|7.498797|8.953198|0.210121|4.493179|6.886850|36.858105| |17.553191|8.769629|6.828633|4.504275|0.120545|3.706273|4.214678|3.751821|3.957674|4.783737|3.705041|2.921771|2.655952|3.083167|3.760193|5.049703|0.108379|3.417386|3.435860|2.922289|2.421124|2.147526|2.182337|2.526537|3.008457|2.942450|2.586731|2.206740|1.977916|1.738830|1.596275|1.622220|1.802724|2.021760|3.160650|0.064332|2.693779|5.606702|1.784567|0.500000| |17.548070|8.765270|6.788911|4.481037|0.112944|3.597591|4.280215|3.693400|3.718721|4.362868|3.135431|2.528340|2.285945|2.546222|3.082763|5.534570|0.121472|4.031192|4.422378|3.737439|2.953666|2.581465|2.646871|3.165584|3.940214|3.096434|2.795954|2.382569|2.144308|1.874363|1.719712|1.753248|1.958540|2.203302|3.459972|0.070462|2.942197|6.110296|1.937282|0.301575|0.500000| |17.583169|8.809495|5.478863|4.025859|0.110877|3.187702|3.728634|3.272514|3.363538|3.983107|3.007598|2.500108|2.246424|2.495585|2.907139|4.967322|0.113807|3.355332|3.620139|3.020450|2.516688|2.207528|2.210380|2.527175|3.024655|2.926652|2.693687|2.280589|2.085093|1.815038|1.682754|1.740835|1.965734|2.191507|3.503635|0.073124|2.951175|6.348284|1.986667|0.301963|0.301991|0.500000| |8.856108|17.526983|8.857781|6.807231|0.214665|4.654013|4.950444|4.201666|4.422396|5.675201|4.373306|3.480367|2.900640|3.147881|3.789075|7.298394|0.170763|4.172172|4.009458|3.112132|2.619212|2.237163|2.172592|2.428179|2.941279|4.163529|3.541225|2.837910|2.484920|2.108387|1.907071|1.951064|2.224654|2.573903|4.221165|0.085573|3.824982|8.690308|2.191136|0.210568|0.172862|0.213504|0.500000| |8.885198|17.542271|8.750280|6.708036|0.178657|4.436719|5.046820|4.114640|4.093504|5.005050|3.512669|2.866824|2.438324|2.585136|3.101425|8.998086|0.240905|5.441418|5.864737|4.140423|3.323392|2.732694|2.621707|2.968829|3.777019|4.622209|4.129977|3.235424|2.834669|2.359426|2.124833|2.188470|2.534507|2.976804|5.013999|0.101630|4.642272|10.988002|2.490043|0.173222|0.210904|0.214430|0.304806|0.500000| |6.898205|8.767019|17.574838|8.795178|0.174459|6.616755|7.448077|5.785950|5.624064|6.947858|4.384770|3.274265|2.829762|3.065935|4.021127|9.467572|0.178357|7.017137|6.101757|4.731180|3.581920|3.007706|3.013234|3.604273|4.745044|4.537574|3.670919|3.040028|2.569406|2.215273|1.961824|1.944561|2.157620|2.521641|3.921662|0.075969|3.534592|7.098253|2.044392|0.171290|0.203994|0.140501|0.173090|0.206162|0.500000| |6.916089|8.891539|17.573530|8.959358|0.208689|7.244423|7.034668|5.934791|6.452415|8.947216|6.412684|4.257465|3.599069|4.101533|5.850950|7.566847|0.144919|4.758939|4.090764|3.338163|2.740512|2.378426|2.374366|2.730034|3.322392|4.117798|3.257573|2.714299|2.311041|2.010756|1.793402|1.780648|1.967913|2.276135|3.532682|0.069090|3.157898|6.419466|1.880979|0.206113|0.168817|0.141471|0.214215|0.173261|0.306562|0.500000| |4.031988|5.026004|6.228903|6.897756|0.224122|7.152441|6.671620|6.292472|7.942696|12.696979|17.629756|8.758865|5.877895|6.280868|8.745110|6.169452|0.116688|3.597366|3.017396|2.533265|2.221978|1.959145|1.916050|2.103462|2.439353|4.057007|3.135447|2.651727|2.249260|1.974017|1.757056|1.732269|1.898838|2.190873|3.352236|0.065153|2.971220|5.876950|1.804752|0.119956|0.097882|0.097059|0.157147|0.115331|0.133900|0.214130|0.500000| |2.771757|3.235359|3.612861|4.123149|0.132986|4.520325|5.012508|5.183387|6.552365|7.940979|8.821101|17.559709|8.813300|6.665057|6.108783|4.443242|0.085377|2.698390|2.317848|2.015064|1.838235|1.651609|1.604698|1.717129|1.929810|3.287030|2.678872|2.366211|2.048539|1.838374|1.650240|1.618041|1.747214|1.982574|2.954469|0.057518|2.524100|4.800168|1.659533|0.081127|0.069299|0.070821|0.100724|0.080444|0.085813|0.111457|0.232255|0.500000| |2.547445|2.989165|3.522634|4.268055|0.129072|5.337254|6.240046|7.016469|9.527535|10.167173|8.662835|17.610843|8.663334|5.685700|5.770655|4.704269|0.086446|2.911167|2.411478|2.120986|1.951711|1.756783|1.700252|1.807450|2.021845|3.609302|2.860007|2.576415|2.183053|1.975873|1.747263|1.681412|1.794209|2.053207|2.998796|0.057286|2.568532|4.722796|1.670462|0.073254|0.065651|0.064310|0.088545|0.076005|0.086646|0.106040|0.185956|0.302727|0.500000| |2.234011|2.448345|2.729871|2.927942|0.086737|3.326748|4.028291|4.472587|5.654842|5.811384|5.623976|8.705723|17.589733|8.672201|5.644941|3.320995|0.063697|2.159949|1.891985|1.709322|1.577020|1.451013|1.430401|1.526015|1.674590|2.434790|2.065793|1.894823|1.675561|1.544838|1.403658|1.367726|1.449995|1.612145|2.344644|0.045871|1.942341|3.617813|1.380626|0.066508|0.057484|0.057464|0.072909|0.061521|0.068646|0.085080|0.131647|0.220407|0.194369|0.500000| |2.301853|2.531988|2.959450|3.207658|0.091011|3.926317|4.882639|5.832018|7.973996|7.340719|6.545685|8.809255|17.557760|8.832091|6.926783|3.602771|0.067306|2.390451|2.047887|1.866144|1.715124|1.581590|1.566725|1.678346|1.840420|2.615697|2.177265|2.007025|1.750539|1.617837|1.456403|1.405151|1.483000|1.660183|2.399032|0.046478|2.001032|3.689892|1.397158|0.068338|0.060296|0.058086|0.073164|0.063563|0.075916|0.093015|0.136299|0.174704|0.219031|0.302057|0.500000| |2.842187|3.024091|3.331611|3.294714|0.097383|3.544969|4.072278|4.282504|5.344945|6.100927|6.693269|6.883018|8.810459|17.526816|8.786540|3.571844|0.069710|2.316978|2.065744|1.846922|1.665103|1.524647|1.519915|1.653402|1.836923|2.468327|2.089364|1.872522|1.660265|1.510811|1.378729|1.360783|1.460870|1.625536|2.411903|0.047732|2.016028|3.871209|1.409124|0.088840|0.071354|0.072226|0.091353|0.072744|0.081935|0.110710|0.171551|0.188847|0.138520|0.214926|0.173670|0.500000| |2.528343|2.640504|3.001025|2.962913|0.083525|3.352786|4.043870|4.465784|5.631601|5.838439|5.625351|5.634543|8.668163|17.591677|8.720833|3.285720|0.063067|2.211279|1.962425|1.795405|1.625636|1.507276|1.517375|1.651732|1.811105|2.271991|1.932038|1.761915|1.562959|1.439168|1.312700|1.284718|1.365025|1.513311|2.213275|0.043565|1.835150|3.462228|1.308185|0.078483|0.065668|0.063739|0.076414|0.064505|0.077090|0.098927|0.131094|0.136088|0.125302|0.197765|0.215261|0.302394|0.500000| |3.086643|3.336509|4.220392|4.181756|0.110476|5.262024|6.166429|7.042924|9.827721|10.280135|8.823906|6.270334|6.830999|8.844548|17.587141|4.372051|0.080643|2.966668|2.520233|2.284336|2.023305|1.853173|1.870325|2.069452|2.314571|2.906424|2.368740|2.130355|1.840764|1.676091|1.503977|1.460628|1.558470|1.758851|2.584542|0.050184|2.193396|4.134523|1.473934|0.094907|0.081520|0.074353|0.092664|0.080120|0.109646|0.146388|0.177485|0.135946|0.146335|0.138271|0.195418|0.174044|0.218954|0.500000| |3.894861|4.107825|5.008642|4.476753|0.122519|4.883848|5.332287|5.422496|6.786401|8.441724|8.663873|5.675318|5.658647|8.647977|17.569647|4.513642|0.086338|2.976346|2.611895|2.314398|2.019024|1.832165|1.849499|2.067185|2.347253|2.897073|2.385386|2.100088|1.831897|1.648356|1.490245|1.468467|1.586420|1.787352|2.678375|0.052695|2.284137|4.439800|1.521894|0.127453|0.098399|0.092349|0.117188|0.093558|0.122765|0.192700|0.223297|0.139697|0.125064|0.124617|0.139115|0.215688|0.196825|0.302243|0.500000| |3.966370|4.868632|6.749472|7.426753|0.146914|6.885888|10.314380|6.973075|5.857631|6.488511|3.688264|2.973755|2.558266|2.602609|3.251954|12.211866|0.188476|17.736124|8.790357|6.903490|5.099489|4.017941|3.831006|4.440291|6.058775|5.902777|4.692330|3.978992|3.186471|2.733525|2.337648|2.249626|2.464413|2.961950|4.441945|0.082163|4.036642|7.332564|2.238169|0.100178|0.117431|0.093106|0.112979|0.139038|0.239017|0.148999|0.105109|0.076703|0.083754|0.062690|0.071004|0.068093|0.066254|0.092876|0.091436|0.500000| |3.171159|3.894748|4.689727|5.799812|0.130246|5.406891|8.573056|6.102564|5.041236|5.375196|3.140247|2.703686|2.307497|2.269102|2.704745|12.312136|0.192724|17.689146|8.818001|6.993897|6.166783|4.502480|3.871745|4.051508|5.138894|7.788918|6.787754|5.916163|4.356915|3.613128|2.944262|2.765043|3.030740|3.812534|5.549130|0.097422|5.103857|8.319799|2.630586|0.079790|0.091273|0.078589|0.096128|0.117973|0.142174|0.107761|0.089458|0.070956|0.078592|0.057705|0.064174|0.059891|0.057808|0.076340|0.074282|0.306104|0.500000| |3.689243|4.468185|4.484756|4.713887|0.115506|3.775899|5.102258|4.047295|3.677632|4.082802|2.625704|2.278606|1.974120|1.994155|2.326772|9.426209|0.220722|8.831179|17.572107|8.893521|7.140402|4.727241|3.979685|4.217737|5.674815|5.474647|6.099151|4.967918|4.331428|3.445712|2.992699|3.034724|3.553621|4.431981|7.197588|0.132964|6.443800|11.362616|3.247833|0.086891|0.108209|0.095336|0.106745|0.155583|0.134089|0.099479|0.078402|0.062098|0.064055|0.050300|0.053611|0.054275|0.051025|0.063697|0.066294|0.173180|0.210033|0.500000| |5.121820|6.081044|6.126520|5.423012|0.125434|4.171673|5.400523|4.271078|3.955228|4.497350|2.910516|2.424513|2.118757|2.203778|2.641835|9.272380|0.210392|8.828012|17.562737|8.894648|5.669979|4.215566|3.978818|4.727998|7.147355|4.647297|4.412476|3.633019|3.164641|2.652946|2.356922|2.381523|2.711401|3.210033|5.124545|0.099560|4.562413|9.040748|2.571784|0.114914|0.161939|0.124625|0.129952|0.212884|0.205057|0.128470|0.087841|0.065557|0.066529|0.053355|0.057291|0.059973|0.056452|0.072296|0.077441|0.210992|0.173334|0.303801|0.500000| |2.577996|2.893344|3.046764|3.240422|0.080614|2.962704|4.345645|3.632377|3.204848|3.345521|2.135286|1.913104|1.702024|1.695912|1.938609|5.743133|0.116079|5.627870|7.004181|8.899182|17.688124|8.934209|5.648750|4.956701|5.649908|3.969836|4.554821|4.660913|4.396607|3.886014|3.377526|3.245088|3.496469|4.100977|5.536004|0.100974|4.233863|6.709575|3.037367|0.064102|0.076445|0.067362|0.072143|0.090958|0.092572|0.073051|0.061290|0.051471|0.054720|0.043716|0.047201|0.045612|0.044182|0.054418|0.054294|0.130427|0.177650|0.213927|0.143754|0.500000| |2.096870|2.233494|2.358862|2.417574|0.060787|2.322235|3.446483|3.047533|2.706124|2.741358|1.775748|1.610239|1.473716|1.475923|1.664773|3.886951|0.077435|3.592175|4.092146|5.633619|8.926138|17.723210|8.913147|5.650117|4.959588|2.708131|2.913391|3.049117|2.989268|2.910125|2.684220|2.550685|2.591843|2.804611|3.688701|0.070190|2.743213|4.529059|2.333725|0.053514|0.062965|0.055151|0.056261|0.067381|0.072304|0.059006|0.050066|0.043064|0.045898|0.038070|0.041322|0.039538|0.039119|0.047410|0.046651|0.094275|0.108829|0.112156|0.097108|0.215971|0.500000| |2.117355|2.165419|2.305780|2.257109|0.056246|2.200354|3.240640|2.929272|2.630650|2.648370|1.730027|1.550998|1.446234|1.473890|1.669831|3.431878|0.068004|3.147503|3.543261|4.933172|5.645520|8.911549|17.727607|8.913453|5.645592|2.298212|2.336691|2.343908|2.239359|2.155359|2.006634|1.938222|1.991366|2.142907|2.922391|0.056795|2.229363|3.844616|1.855867|0.054772|0.065187|0.055255|0.053943|0.063640|0.072491|0.058870|0.048441|0.041197|0.043642|0.037227|0.040721|0.039352|0.039533|0.048084|0.047321|0.088829|0.089643|0.090584|0.090565|0.124238|0.214774|0.500000| |2.664836|2.633743|2.843434|2.627645|0.064071|2.536469|3.658475|3.275130|2.976348|3.043846|1.990741|1.734991|1.623410|1.692387|1.958239|3.852553|0.076214|3.581725|4.090250|5.634287|4.959535|5.649817|8.913718|17.725007|8.926030|2.434827|2.369184|2.268386|2.102886|1.960878|1.806942|1.769608|1.864295|2.041103|2.894070|0.056702|2.284446|4.091408|1.764886|0.068933|0.085645|0.067939|0.063722|0.076013|0.093708|0.072745|0.055963|0.045840|0.048038|0.041348|0.045531|0.045120|0.045470|0.056626|0.056599|0.107449|0.094861|0.097171|0.112202|0.107598|0.124155|0.214781|0.500000| |3.959257|3.979491|4.398416|3.806483|0.088763|3.450780|4.793874|4.036237|3.682969|3.945483|2.543568|2.132821|1.945311|2.050757|2.454094|5.630744|0.112024|5.583814|6.990120|8.897763|5.648916|4.957049|5.650307|8.937553|17.689808|3.229282|3.033444|2.742304|2.453363|2.190386|1.978831|1.958093|2.127899|2.407478|3.566745|0.069621|2.953467|5.485710|2.016149|0.097811|0.134688|0.096144|0.090355|0.116489|0.159579|0.105925|0.073203|0.056412|0.058446|0.048894|0.053787|0.054868|0.054037|0.069902|0.072193|0.174291|0.130771|0.143853|0.214269|0.124011|0.107602|0.124272|0.216127|0.500000| |2.896309|3.689931|4.428703|6.623145|0.167706|6.787644|10.271550|7.357048|6.199425|6.732963|3.824420|3.441717|2.764755|2.583642|3.029145|12.294579|0.183971|7.079688|4.760357|3.841873|3.601903|2.954526|2.643500|2.732059|3.219776|17.701183|8.854109|7.162706|4.649955|3.781276|3.000133|2.782267|3.049080|3.921324|5.718724|0.098271|5.537789|8.800430|2.616673|0.075146|0.078567|0.072754|0.099035|0.106981|0.117500|0.107218|0.108196|0.090490|0.105494|0.069100|0.076336|0.068002|0.064143|0.083603|0.079736|0.166597|0.229773|0.130364|0.114230|0.107556|0.076183|0.064820|0.067882|0.087266|0.500000| |3.206734|4.311254|4.816455|7.539427|0.243067|6.267724|7.461572|5.842884|5.579885|6.672676|4.186234|3.813314|2.933313|2.748145|3.176265|12.417116|0.223888|5.570466|4.293842|3.320891|3.050279|2.525242|2.294815|2.401645|2.839823|17.610274|8.957145|6.028506|4.348565|3.426584|2.834481|2.751983|3.135310|4.040394|6.445415|0.112992|6.805836|11.891806|2.785043|0.082618|0.083275|0.081779|0.123625|0.125590|0.116736|0.115807|0.127569|0.106076|0.113975|0.074138|0.077771|0.074468|0.066759|0.083496|0.084491|0.132113|0.151715|0.123043|0.110948|0.090785|0.065316|0.056746|0.060576|0.079155|0.300867|0.500000| 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