Version2.0 2020-07-20T12:15:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 09-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN1CC(=C(c2c1cc3c(c2)OCO3)[O-])C(=O)NCC(=O)NCCC4=c5cc(ccc5=[NH+]C4)OC C63385265 RHF 6-31G(d) (6D,7F) CCN1CC(=C(c2c1cc3c(c2)OCO3)[O-])C(=O)NCC(=O)NCCC4=c5cc(ccc5=[NH+]C4)OC C01[X(C26H28N4O6)] 186 C1 596 CCN1CC(=C(c2c1cc1OCOc1c2)[O-])C(=O)NCC(=O)NCCC1=c2cc(OC)ccc2=[NH+]C1 CCN1CC(=C(c2c1cc1OCOc1c2)[O-])C(=O)NCC(=O)NCCC1=c2cc(OC)ccc2=[NH+]C1 CCN1CC(=C([O-])c2cc3OCOc3cc12)C(=O)NCC(=O)NCCC4=C5C=C(OC)C=CC5=[NH+]C4 InChIKey=MJFUMBCUCRATIJ-UHFFFAOYSA-N InChI=1S/C26H28N4O6/c1-3-30-13-19(25(32)18-9-22-23(10-21(18)30)36-14-35-22)26(33)29-12-24(31)27-7-6-15-11-28-20-5-4-16(34-2)8-17(15)20/h4-5,8-10,32H,3,6-7,11-14H2,1-2H3,(H,27,31)(H,29,33) InChI=1/C26H28N4O6/c1-3-30-13-19(25(32)18-9-22-23(10-21(18)30)36-14-35-22)26(33)29-12-24(31)27-7-6-15-11-28-20-5-4-16(34-2)8-17(15)20/h4-5,8-10,32H,3,6-7,11-14H2,1-2H3,(H,27,31)(H,29,33)/f/h32h,27-29H CCN1CC(=C(c2c1cc3c(c2)OCO3)[O-])C(=O)NCC(=O)NCCC4=c5cc(ccc5=[NH+]C4)OC C01[X(C26H28N4O6)] 186 C01 596 CCN1CC(=C(c2c1cc1OCOc1c2)[O-])C(=O)NCC(=O)NCCC1=c2cc(OC)ccc2=[NH+]C1 CCN1C[C]([C](=O)NCC(=O)NCC[C]2[C]3[CH]=[C]([CH]=[CH][C]3[NH]C2)OC)[C]([O])[C]2[C]1[CH][C]1[C]([CH]2)OCO1 CCN1C[C]([C]([O])[C]2[CH][C]3OCO[C]3[CH][C]12)C(=O)NCC(=O)NCC[C]4CN[C]5C=CC(=C[C]45)OC InChIKey=IMGLCEFOOSYEQI-UHFFFAOYSA-N InChI=1S/C26H28N4O6/c1-3-30-13-19(25(32)18-9-22-23(10-21(18)30)36-14-35-22)26(33)29-12-24(31)27-7-6-15-11-28-20-5-4-16(34-2)8-17(15)20/h4-5,8-10,28H,3,6-7,11-14H2,1-2H3,(H,27,31)(H,29,33) InChI=1/C26H28N4O6/c1-3-30-13-19(25(32)18-9-22-23(10-21(18)30)36-14-35-22)26(33)29-12-24(31)27-7-6-15-11-28-20-5-4-16(34-2)8-17(15)20/h4-5,8-10,28H,3,6-7,11-14H2,1-2H3,(H,27,31)(H,29,33)/f/h27,29H 3901.2112611830 -1667.7530625 1-A 20056.8015 130 466 596 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14995.2864 24632.5351 33176.9350 0.99989 0.01389 0.00436 -0.01393 0.99986 0.00900 -0.00424 -0.00906 0.99995 1 0.00578 0.00352 0.00261 0.12035 0.07327 0.05440 13.02 17.18 35.31 47.93 51.17 78.83 103.90 109.47 117.74 131.66 145.78 153.40 172.25 199.01 202.56 230.47 249.33 270.83 279.79 285.47 297.63 328.99 338.01 363.82 378.53 391.93 400.99 414.82 438.76 455.15 467.69 517.98 528.20 539.32 557.80 575.88 592.09 597.05 621.70 658.82 667.47 709.87 726.94 742.10 755.35 771.93 788.63 805.26 822.00 891.68 906.40 942.97 947.82 965.83 986.99 1040.09 1072.14 1107.68 1118.14 1131.85 1157.62 1158.87 1173.93 1177.26 1188.89 1236.08 1243.82 1247.52 1273.40 1289.48 1313.48 1331.85 1335.45 1347.96 1351.25 1405.67 1414.17 1420.72 1447.46 1455.44 1503.82 1533.48 1538.87 1557.20 1581.74 1592.17 1608.08 1614.32 1626.11 1636.75 1660.59 1694.82 1697.62 1709.03 1713.58 1744.80 1760.34 1800.70 1806.81 1814.39 1834.70 1842.53 1861.57 1872.49 1876.74 1901.93 1910.05 1912.48 1917.51 1944.18 1950.31 1966.45 1989.96 1996.85 2010.58 2033.20 2064.44 2066.26 2074.25 2092.69 2098.79 2121.08 2128.89 2170.23 2184.10 2197.81 2201.12 2214.22 2229.47 2251.11 2272.20 2272.82 2283.82 2290.14 2332.35 2339.21 2342.26 2355.24 2358.66 2368.08 2368.34 2371.47 2382.29 2383.72 2392.44 2399.86 2402.39 2416.46 2432.01 2461.01 2509.36 2533.88 2555.43 2591.28 2636.64 2681.51 2697.93 2817.77 4445.10 4556.75 4611.22 4630.38 4634.49 4638.47 4667.97 4682.71 4685.80 4690.85 4698.30 4703.19 4710.74 4728.80 4731.40 4757.19 4784.28 4793.91 4795.25 4817.08 4882.05 4905.13 4923.27 4934.45 4936.52 5411.00 5547.56 5596.87 0.559721 0.590143 0.591088 0.494851 -1667.193341 -1667.162919 -1667.161975 -1667.258212 3.227805D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE CCN1CC(=C(c2c1cc3c(c2)OCO3)[O-])C(=O)NCC(=O)NCCC4=c5cc(ccc5=[NH+]C4)OC C63385265 RHF 6-31G(d) (6D,10F) C1 492.200885 |X|Y|Z| 44.327567 107.945657 80.246383 72.683335 29 6 7 8 23 4 2 |36.858105| |12.424149|36.858105| |7.529923|13.160990|53.358707| |6.058890|7.743640|17.783997|36.858105| |4.138563|5.057728|10.504983|12.603768|36.858105| |3.694037|4.429780|9.081926|7.649663|13.686576|36.858105| |4.234502|5.096314|10.803089|6.923803|7.778228|12.655794|36.858105| |5.844313|7.723879|18.670985|7.947672|6.663891|7.501839|13.561322|36.858105| |5.610866|6.612170|10.587416|5.181965|4.462481|4.982360|7.831526|13.499526|36.858105| |4.091593|4.487352|7.074890|4.025912|3.788257|4.496880|6.964853|8.019743|13.942353|36.858105| |3.415000|3.748413|6.239583|3.869643|3.951875|5.102146|8.024210|6.882627|7.910543|13.851807|36.858105| |3.439288|3.884866|7.026005|4.615405|5.137832|7.661170|13.598494|7.813407|6.767881|8.006020|13.996259|36.858105| |2.816917|2.997893|4.705352|3.028604|3.106051|3.838006|5.143738|4.621067|5.375593|8.514676|13.856154|7.674352|73.516695| |2.873076|2.974078|4.431652|2.795698|2.744917|3.214801|4.222649|4.213247|5.383445|8.639298|8.642582|5.380102|24.186381|36.858105| |3.480914|3.643407|5.306763|3.162231|2.983130|3.417425|4.671171|5.176849|7.781109|14.022302|8.549157|5.419092|14.939093|13.512894|73.516695| |2.977808|3.460945|6.386263|5.163600|8.030134|15.260667|8.119764|5.285494|4.013996|3.899511|4.669679|6.960469|6.641859|3.043170|5.511248|73.516695| |3.346187|3.917786|6.949100|7.402323|13.169240|7.710351|5.004572|4.443733|3.343378|2.953368|3.095154|3.848648|4.562853|2.291015|4.337088|11.620844|36.858105| |2.805168|3.163228|5.382669|5.199072|8.020168|6.469043|4.309389|3.684114|2.901213|2.664645|2.867310|3.568198|4.336478|2.156435|3.985415|11.626294|15.633666|73.516695| |3.311878|3.913221|6.389708|6.461787|7.875851|5.235321|3.968801|3.843432|3.012165|2.622971|2.658444|3.143172|3.992225|2.054966|3.937039|8.104228|13.614825|15.102619|53.358707| |2.671901|3.060698|4.740485|4.330278|5.086251|3.957846|3.126881|3.002340|2.470385|2.212134|2.257667|2.618489|3.484794|1.800850|3.403136|6.660236|7.726638|12.504594|17.867246|36.858105| |2.402140|2.797837|4.356892|3.714169|4.506228|3.831736|3.039445|2.863514|2.388486|2.175430|2.245354|2.605073|3.496042|1.792024|3.363845|6.812319|6.208767|10.847670|10.637809|12.464722|36.858105| |2.340419|2.761462|4.190671|3.405900|3.923116|3.427003|2.843811|2.746382|2.332605|2.119218|2.159178|2.457787|3.380936|1.748490|3.304513|6.032039|4.855791|8.095008|8.254033|7.950642|15.824219|73.516695| |2.216483|2.542956|4.030294|3.409093|4.338758|3.942274|3.054671|2.763736|2.315850|2.158790|2.283464|2.687560|3.585045|1.810830|3.342580|7.521875|5.927935|12.128704|8.223915|7.829038|13.985889|14.997789|53.358707| |2.094405|2.421137|3.847548|3.100073|3.923610|3.863494|3.064461|2.729095|2.320720|2.202976|2.360757|2.775385|3.741412|1.870987|3.426023|7.768630|4.769141|9.388518|6.218653|5.118576|7.865548|12.158346|17.977233|36.858105| |2.360668|2.810797|4.625644|3.617032|4.751391|4.965803|3.858289|3.348010|2.789150|2.641400|2.859163|3.442801|4.434488|2.182111|4.025252|10.252001|5.297141|9.602930|6.487215|4.663688|6.339107|10.572287|10.547869|12.250156|36.858105| |2.160470|2.532491|4.121972|3.092444|3.903975|4.442673|3.700568|3.143887|2.714157|2.671798|2.972678|3.545964|4.728295|2.285607|4.126144|9.754901|4.016686|7.403986|4.836430|3.435059|4.263018|7.357533|6.911181|7.460631|12.805501|36.858105| |1.961771|2.283749|3.599188|2.623735|3.130745|3.496184|3.123750|2.754934|2.471483|2.464638|2.704303|3.079564|4.427817|2.171787|3.905087|7.240257|3.163441|5.722594|3.974665|2.867813|3.511731|6.374378|5.409523|5.526575|7.357583|13.952789|36.858105| |1.858118|2.165367|3.315429|2.392880|2.752738|2.947396|2.696865|2.480379|2.262248|2.227904|2.371207|2.619963|3.909206|1.969012|3.584980|5.780147|2.803540|4.971761|3.685409|2.715085|3.360939|6.443627|4.930890|4.851078|5.788519|7.432629|13.224850|36.858105| |1.688901|1.941085|2.918526|2.082984|2.338740|2.509529|2.367187|2.203694|2.061788|2.059626|2.182810|2.351120|3.682592|1.874055|3.383745|4.868136|2.351300|4.172650|3.100997|2.280957|2.726072|5.196053|3.947095|3.657186|4.130981|5.135270|7.976105|14.169399|36.858105| |1.611715|1.829511|2.757502|1.961156|2.199856|2.412526|2.312786|2.126833|2.017011|2.061075|2.219336|2.368455|3.827518|1.932836|3.424058|4.746211|2.181025|3.908245|2.821183|2.051358|2.386487|4.420522|3.501261|3.175132|3.586516|4.652941|6.916180|7.855148|13.131088|36.858105| |1.666528|1.885219|2.886724|2.061451|2.349073|2.645580|2.529884|2.267549|2.140880|2.221601|2.453804|2.650783|4.258948|2.104020|3.668476|5.355219|2.309607|4.186618|2.915678|2.095818|2.414878|4.362186|3.615962|3.291682|3.803597|5.295585|7.700654|6.614254|7.713526|14.131315|36.858105| |1.841137|2.104826|3.302229|2.386515|2.809792|3.231163|2.988332|2.601111|2.389024|2.458973|2.761946|3.101351|4.664915|2.256974|3.956015|6.806349|2.773343|5.074395|3.425199|2.443933|2.858289|5.078164|4.393813|4.167188|5.123436|8.460084|13.330715|7.640273|6.798600|8.058660|13.370188|36.858105| |1.911296|2.167229|3.463037|2.534161|3.052249|3.648295|3.325150|2.781992|2.527404|2.638732|3.066941|3.551053|5.176865|2.435256|4.196176|8.137119|2.983864|5.572715|3.558011|2.500473|2.858748|4.913635|4.483528|4.139062|5.114712|8.289197|8.446827|5.285836|4.646399|5.253229|7.693930|14.492618|53.358707| |1.834085|2.050810|3.254055|2.371367|2.810037|3.377474|3.169927|2.650053|2.451100|2.614048|3.086263|3.512962|5.368358|2.500986|4.214282|7.445380|2.713938|5.076167|3.231249|2.261549|2.524330|4.322652|3.912395|3.461625|4.101672|5.838873|5.929117|4.232635|3.945484|4.640147|6.793757|9.273666|26.053106|0.500000| |2.132051|2.446525|4.028814|3.032448|3.867012|4.743324|3.976059|3.204927|2.784938|2.834276|3.303320|4.055422|5.319739|2.488809|4.367413|11.587605|3.837660|7.317595|4.394345|3.046658|3.521890|5.860322|5.725795|5.408610|7.357563|12.800123|8.208158|5.085695|4.102621|4.153904|5.191452|8.388771|17.887669|0.243766|36.858105| |1.578522|1.802937|2.656478|1.889943|2.076564|2.185195|2.084918|1.982702|1.877014|1.864415|1.942481|2.058990|3.295843|1.707487|3.100460|4.144795|2.093223|3.688663|2.816206|2.090017|2.470462|4.789379|3.488920|3.107419|3.368420|3.857182|5.186532|7.924585|14.207689|8.199272|5.296015|4.613291|4.771194|0.086285|3.194272|73.516695| |1.600301|1.835693|2.675764|1.911172|2.080336|2.138462|2.026844|1.956976|1.842240|1.799205|1.848136|1.961598|3.101255|1.621591|2.981200|3.986005|2.121235|3.703068|2.922491|2.198048|2.625377|5.252722|3.610567|3.161145|3.344033|3.569966|4.459828|6.717286|8.051575|5.233141|3.951967|3.751116|4.099924|0.074216|2.894567|24.092310|36.858105| |17.572503|8.730105|9.201127|5.375051|3.910616|3.685453|4.458136|6.201133|6.573679|4.772379|3.842091|3.736692|5.607161|3.284436|7.217861|5.319502|3.121631|4.758897|4.062741|2.440200|2.226053|3.836631|2.852367|2.004017|2.268654|2.117148|1.927718|1.810397|1.656144|1.598572|1.665694|1.835634|2.615834|0.051706|2.128038|2.742193|1.548477|0.500000| |17.530164|8.812141|7.532443|4.635567|3.410170|3.081662|3.463118|4.541019|4.609542|3.542256|2.962597|2.927772|4.484927|2.619747|5.619640|4.564447|2.883781|4.375762|3.983808|2.435059|2.206693|3.874238|2.758518|1.921589|2.141038|1.969887|1.814250|1.741243|1.596417|1.521175|1.559986|1.704311|2.384764|0.046772|1.929741|2.679424|1.535814|0.301079|0.500000| |17.566311|8.757795|9.129472|6.529930|4.326487|3.700535|4.019938|5.140835|4.619985|3.571069|3.131811|3.252280|4.635384|2.612059|5.421545|5.301342|3.571912|5.304435|4.843222|2.843081|2.483198|4.235021|3.109291|2.118676|2.349430|2.124806|1.911705|1.804331|1.633606|1.557349|1.613451|1.790118|2.542987|0.049781|2.102365|2.711784|1.549332|0.302072|0.301791|0.500000| |8.884658|17.552748|12.676002|7.254194|4.878892|4.055222|4.294541|5.752664|4.891372|3.628054|3.166533|3.340146|4.628687|2.563258|5.414137|5.768740|4.026091|5.699283|5.854408|3.356501|3.020125|5.368281|3.625148|2.495939|2.853818|2.511911|2.268183|2.182063|1.945941|1.809939|1.845601|2.058361|2.852845|0.054667|2.373416|3.236621|1.879441|0.172992|0.213034|0.213360|0.500000| |8.823502|17.586651|12.532123|5.666557|4.246676|3.971660|4.736563|7.142519|7.213542|4.810345|3.835745|3.800042|5.515407|3.146881|7.096076|5.718554|3.383264|4.997351|4.590191|2.737785|2.585755|4.625098|3.225127|2.307121|2.701782|2.487540|2.287887|2.191035|1.983537|1.872529|1.918841|2.119396|2.938868|0.056869|2.393600|3.291673|1.882168|0.206932|0.215294|0.172806|0.306056|0.500000| |6.411671|6.694041|12.386036|17.395541|8.830456|6.415912|6.176396|6.899344|4.911818|3.920316|3.774023|4.410667|5.321905|2.792580|5.556451|8.182676|6.094414|8.379393|7.176216|3.789937|3.215532|5.207044|4.110143|2.741408|3.102099|2.727472|2.341229|2.133951|1.884469|1.796451|1.896548|2.173634|3.170863|0.061489|2.746844|3.054618|1.728729|0.164775|0.132592|0.212561|0.167245|0.138293|0.500000| |5.884368|7.503653|12.607446|17.605132|8.845628|5.647520|5.051829|5.793111|4.257859|3.377813|3.210631|3.688576|4.635219|2.449559|4.912628|7.544598|7.077122|8.756117|10.296030|4.879053|3.976292|6.546725|4.726098|3.071874|3.472624|2.903022|2.494194|2.325854|2.024772|1.883097|1.951831|2.239017|3.179482|0.060435|2.767138|3.303848|1.906834|0.135007|0.131575|0.183519|0.235423|0.151148|0.304958|0.500000| |6.486700|7.343696|9.464576|4.664221|3.852920|4.040408|5.570343|8.724249|17.799722|9.016878|5.658268|4.904575|7.791499|4.712695|12.378262|5.928457|3.006595|4.636917|3.822928|2.330072|2.239710|3.933960|2.915024|2.131986|2.515299|2.428706|2.246230|2.099801|1.930788|1.878158|1.965469|2.160206|3.060386|0.060533|2.447310|3.169899|1.765968|0.216291|0.153634|0.137225|0.146276|0.251598|0.124221|0.112593|0.500000| |2.937345|3.263383|5.718407|4.026552|4.758029|7.195809|8.920641|5.605191|4.902387|5.660702|8.910069|17.780654|11.964582|4.637504|7.756961|14.064023|3.780956|6.535640|4.133947|2.587243|2.607816|4.326743|3.766910|2.898991|3.576770|3.810870|3.262673|2.699128|2.420219|2.475156|2.836705|3.376952|5.516364|0.113749|4.672733|3.723308|1.973214|0.087184|0.070690|0.078908|0.080591|0.088081|0.107841|0.091891|0.106786|0.500000| |2.811145|2.807978|4.131308|2.669349|2.596918|2.989888|3.827341|3.823608|4.738416|6.813366|6.814192|4.727894|16.569255|17.553742|16.583881|5.021563|2.185765|3.679807|2.670446|1.723814|1.697864|2.928410|2.336166|1.755506|2.015623|2.090845|1.976680|1.796754|1.710391|1.760998|1.912644|2.049421|3.021445|0.063520|2.281607|2.784311|1.494015|0.090572|0.071381|0.071879|0.067429|0.081026|0.075839|0.065183|0.118574|0.116472|0.500000| |2.542133|2.647547|3.874273|2.465050|2.437941|2.818593|3.545358|3.540867|4.384074|6.258912|6.245318|4.370424|16.623726|17.662195|16.602859|4.835249|2.077879|3.499764|2.566977|1.674690|1.682153|2.940151|2.316176|1.772699|2.057245|2.180142|2.111700|1.932277|1.865330|1.942162|2.107085|2.217864|3.217946|0.067877|2.360330|3.038088|1.613604|0.079105|0.065617|0.064353|0.064563|0.078668|0.067758|0.061071|0.111356|0.109398|0.297138|0.500000| |3.649751|4.537674|7.296281|7.043014|7.537079|5.095265|4.076657|4.149014|3.237920|2.753286|2.729006|3.176865|4.069644|2.114701|4.119121|7.639717|9.390676|11.030572|26.037961|9.237166|6.886490|10.930678|7.036036|4.223742|4.627524|3.491012|2.928919|2.766420|2.330193|2.101849|2.150726|2.506402|3.488562|0.064556|3.113120|3.786964|2.229897|0.089218|0.089807|0.106950|0.145058|0.107931|0.149001|0.251567|0.084903|0.083337|0.055688|0.053987|0.500000| |2.482033|2.757120|4.261687|3.917404|4.635651|3.714728|2.932007|2.768242|2.300785|2.089713|2.154825|2.502152|3.355979|1.730598|3.234146|6.403372|7.062569|13.381296|12.502220|17.647537|8.773456|10.492306|10.035114|4.762138|4.166906|3.196710|2.671575|2.498602|2.125476|1.940022|1.999190|2.325114|3.284616|0.061228|2.933160|3.460316|2.025182|0.063807|0.062853|0.074150|0.082274|0.068561|0.099694|0.118678|0.060108|0.069657|0.046377|0.044678|0.181092|0.500000| |2.625660|2.982753|4.425812|3.928141|4.248224|3.368626|2.791843|2.764730|2.321398|2.067909|2.077451|2.358547|3.230427|1.691984|3.216284|5.601217|5.691671|9.052150|12.528741|17.622176|8.944414|13.210021|7.894559|4.206272|3.876293|2.976851|2.573234|2.501440|2.134494|1.912641|1.929702|2.207814|3.033432|0.056395|2.639889|3.539116|2.121814|0.065785|0.067631|0.077768|0.093139|0.074378|0.096712|0.127747|0.061887|0.064091|0.045090|0.043902|0.227031|0.300265|0.500000| |2.290874|2.597899|4.185053|3.652301|4.840335|4.364618|3.261527|2.889152|2.392675|2.235765|2.389335|2.857159|3.732344|1.872620|3.439036|8.452951|7.093098|17.189135|8.828750|7.817933|9.654380|11.039811|25.881444|9.269107|6.837831|4.796183|3.683454|3.253648|2.658723|2.422605|2.551344|3.112338|4.482609|0.080974|4.298450|4.165651|2.383715|0.060510|0.057620|0.066261|0.074717|0.066437|0.091162|0.101473|0.060948|0.082581|0.049579|0.048527|0.144326|0.231857|0.153500|0.500000| |1.944288|2.207382|3.498030|2.814612|3.547399|3.609079|2.889185|2.533768|2.180306|2.105457|2.288586|2.690934|3.676966|1.827489|3.298516|7.535505|4.224343|8.772242|5.294481|4.285145|5.782161|8.902348|12.666919|17.582641|8.710891|7.136174|5.374002|4.506192|3.526292|3.179527|3.383789|4.316698|6.043414|0.103644|5.797885|5.285821|2.940569|0.052237|0.049588|0.054761|0.062432|0.058536|0.070763|0.076374|0.055458|0.079837|0.047851|0.048201|0.098653|0.117635|0.099390|0.228952|0.500000| |1.957415|2.258939|3.501601|2.760859|3.334556|3.263377|2.704035|2.471230|2.143181|2.035453|2.153518|2.473013|3.451267|1.746407|3.206304|6.364882|3.917971|7.384085|5.393388|4.547267|7.041980|12.780115|12.487833|17.634049|8.721496|6.343028|5.428392|5.307166|3.963984|3.299955|3.286819|4.004324|5.122095|0.088055|4.535003|6.104340|3.604894|0.051865|0.050480|0.054712|0.065232|0.060471|0.068098|0.077176|0.055382|0.070979|0.045479|0.046358|0.105362|0.115830|0.110101|0.180847|0.302515|0.500000| |2.460577|2.998183|4.857532|3.689784|4.606147|4.618396|3.768347|3.425698|2.868926|2.666281|2.808122|3.298953|4.336467|2.168634|4.071297|8.746567|4.969409|8.327115|6.583200|4.688432|6.468703|12.261531|9.020593|8.804586|17.593459|8.992435|6.755324|6.138103|4.306227|3.574278|3.626902|4.633070|5.943149|0.099691|5.604871|6.384122|3.695128|0.064900|0.062414|0.067333|0.085972|0.080940|0.086094|0.100725|0.072817|0.091998|0.055345|0.057017|0.139003|0.110948|0.112301|0.155900|0.173905|0.221391|0.500000| |2.616054|3.128895|5.372132|4.360969|6.315107|6.722522|4.687742|3.895490|3.116649|2.921978|3.200529|4.016747|4.838520|2.353573|4.353260|14.419373|7.112383|12.846862|7.732057|5.114117|6.294940|9.663390|10.265437|8.834779|17.637664|9.198609|5.672352|4.493610|3.447798|3.125360|3.385359|4.474076|6.549356|0.111227|7.299927|5.118258|2.844683|0.069959|0.064765|0.072879|0.087252|0.081858|0.102341|0.112816|0.076704|0.116226|0.060570|0.060702|0.148264|0.127903|0.113707|0.213089|0.200053|0.174599|0.300915|0.500000| |1.911364|2.244673|3.412487|2.480490|2.837580|2.943944|2.662287|2.490567|2.250320|2.173907|2.277435|2.519670|3.710913|1.888571|3.482586|5.636808|2.943671|5.155405|3.983953|2.985745|3.816518|7.664305|5.430684|5.335406|6.157261|6.620990|8.759766|17.774427|8.964934|5.570235|4.820853|5.514581|5.853229|0.098374|4.457146|12.370032|7.315201|0.051165|0.049895|0.051698|0.063806|0.062839|0.060887|0.068085|0.058507|0.071089|0.048090|0.051203|0.083914|0.074959|0.077002|0.096255|0.129213|0.173602|0.199629|0.128882|0.500000| |1.499419|1.687097|2.510009|1.779089|1.965581|2.138199|2.076684|1.933280|1.858191|1.905956|2.034965|2.136222|3.555247|1.818451|3.211831|4.149634|1.944757|3.477251|2.534417|1.846735|2.119007|3.932418|3.073846|2.712073|2.989492|3.685781|4.977823|5.671481|8.858157|17.730958|9.052796|5.678177|5.695246|0.108069|3.394626|13.811322|4.938190|0.041390|0.039564|0.040201|0.046365|0.048159|0.045604|0.047633|0.048479|0.061658|0.046186|0.051216|0.052535|0.048710|0.048283|0.059342|0.075555|0.078594|0.083398|0.073860|0.124062|0.500000| |1.583626|1.770437|2.697082|1.923141|2.171788|2.457213|2.386465|2.138318|2.045813|2.155198|2.397389|2.553154|4.257313|2.102582|3.606967|4.961255|2.120541|3.857486|2.665652|1.909183|2.158504|3.863696|3.222743|2.851396|3.229994|4.294492|5.515850|4.818764|5.525397|8.987845|17.748208|8.721335|9.205206|0.191759|4.533406|7.623318|3.315278|0.044281|0.041247|0.042590|0.047852|0.050105|0.049700|0.050392|0.052213|0.076511|0.053245|0.059021|0.054437|0.051033|0.048995|0.064053|0.082369|0.078299|0.085135|0.082442|0.105310|0.215700|0.500000| |2.376801|2.747282|4.666718|3.483347|4.558169|6.143579|5.081158|3.845572|3.267716|3.349951|4.039130|5.274889|6.291131|2.857675|5.017430|16.703208|4.251225|7.888318|4.680301|3.105521|3.455841|5.704211|5.417457|4.735258|6.662869|8.976157|6.233173|4.314674|3.570741|3.604007|4.371416|6.298636|12.117717|0.203350|17.458342|5.106004|2.644648|0.066438|0.058971|0.064830|0.072757|0.074380|0.087240|0.085655|0.077771|0.175595|0.072182|0.073979|0.092586|0.082647|0.074530|0.116024|0.134001|0.110054|0.148916|0.211256|0.108791|0.084100|0.109794|0.500000| |2.033236|2.293308|3.750987|2.910921|3.742192|4.456755|3.630351|2.939018|2.548444|2.582719|2.996921|3.673546|4.865124|2.296956|4.006634|10.989694|3.877032|7.836139|4.386142|3.105112|3.557996|5.737553|6.054514|5.599350|6.567013|8.883510|6.183026|4.274261|3.541451|3.580004|4.350611|6.278663|12.289111|0.202823|17.545246|5.067306|2.622922|0.056336|0.051143|0.056424|0.062115|0.061552|0.074516|0.074230|0.062648|0.118873|0.059502|0.060295|0.084008|0.085369|0.073962|0.131014|0.183642|0.126207|0.135835|0.187964|0.107758|0.083595|0.109489|0.303370|0.500000| |1.582401|1.809966|2.649377|1.922936|2.112150|2.150165|2.002239|1.921703|1.788989|1.739047|1.793444|1.923747|2.995278|1.560794|2.864748|4.029088|2.196013|3.871061|3.046058|2.338425|2.851630|5.753440|3.952170|3.504508|3.544177|3.693031|4.510119|6.717896|7.082688|4.732757|3.744799|3.686660|4.086236|0.073451|2.945224|16.443971|17.571678|0.042390|0.042088|0.042885|0.051766|0.050999|0.048333|0.053576|0.047531|0.054040|0.040172|0.042875|0.064006|0.059954|0.062641|0.071340|0.090316|0.115476|0.107885|0.082340|0.220100|0.121031|0.087382|0.073777|0.075432|0.500000| |1.733902|2.014849|2.929159|2.069744|2.238412|2.289232|2.180673|2.128294|2.000211|1.934443|1.968384|2.087011|3.270977|1.715080|3.188881|4.210913|2.262858|3.886354|3.141984|2.336857|2.790770|5.684862|3.752193|3.251118|3.556726|3.702500|4.517222|6.722855|7.099573|4.749363|3.756897|3.695793|4.095182|0.073801|2.955770|16.446093|17.573622|0.046379|0.046248|0.046371|0.057554|0.057757|0.051509|0.057551|0.053416|0.057660|0.043686|0.047288|0.067584|0.058983|0.062881|0.068619|0.081933|0.101993|0.113671|0.084184|0.219613|0.121473|0.087667|0.076415|0.073456|0.298586|0.500000| 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