Version2.0 2020-04-15T09:19:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 26-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)COC[C@@H](CN1CCO[C@@H](C1)C[NH+]2CCN(CC2)C(=O)c3cc(c(c(c3)OC)OC)OC)O C35866126 RHF 6-31G(d) (6D,7F) CC(C)COC[C@@H](CN1CCO[C@@H](C1)C[NH+]2CCN(CC2)C(=O)c3cc(c(c(c3)OC)OC)OC)O C01[X(C26H44N3O7)] 234 C1 628 COc1cc(cc(c1OC)OC)C(=O)N1CC[NH+](CC1)C[C@H]1OCCN(C1)C[C@H](COCC(C)C)O COc1cc(cc(c1OC)OC)C(=O)N1CC[NH+](CC1)C[C@H]1OCCN(C1)C[C@H](COCC(C)C)O COc1cc(cc(OC)c1OC)C(=O)N2CC[NH+](CC2)C[C@@H]3CN(CCO3)C[C@@H](O)COCC(C)C InChIKey=OZHZFTSFBGTMDW-FGZHOGPDSA-O InChI=1S/C26H43N3O7/c1-19(2)17-35-18-21(30)14-28-10-11-36-22(16-28)15-27-6-8-29(9-7-27)26(31)20-12-23(32-3)25(34-5)24(13-20)33-4/h12-13,19,21-22,30H,6-11,14-18H2,1-5H3/p+1/t21-,22-/m1/s1 InChI=1/C26H43N3O7/c1-19(2)17-35-18-21(30)14-28-10-11-36-22(16-28)15-27-6-8-29(9-7-27)26(31)20-12-23(32-3)25(34-5)24(13-20)33-4/h12-13,19,21-22,30H,6-11,14-18H2,1-5H3/p+1/t21-,22-/m1/s1/fC26H44N3O7/h27H/q+1 CC(C)COC[C@@H](CN1CCO[C@@H](C1)C[NH+]2CCN(CC2)C(=O)c3cc(c(c(c3)OC)OC)OC)O C01[X(C26H44N3O7)] 234 C01 628 COc1cc(cc(c1OC)OC)C(=O)N1CC[NH+](CC1)C[C@H]1OCCN(C1)C[C@H](COCC(C)C)O COc1cc(cc(c1OC)OC)C(=O)N1CC[NH](CC1)C[C@H]1OCCN(C1)C[C@H](COCC(C)C)O COc1cc(cc(OC)c1OC)C(=O)N2CC[NH](CC2)C[C@@H]3CN(CCO3)C[C@@H](O)COCC(C)C InChIKey=PCRBMZPNIGEQRB-FGZHOGPDSA-N InChI=1S/C26H44N3O7/c1-19(2)17-35-18-21(30)14-28-10-11-36-22(16-28)15-27-6-8-29(9-7-27)26(31)20-12-23(32-3)25(34-5)24(13-20)33-4/h12-13,19,21-22,27,30H,6-11,14-18H2,1-5H3/t21-,22-/m1/s1 InChI=1/C26H44N3O7/c1-19(2)17-35-18-21(30)14-28-10-11-36-22(16-28)15-27-6-8-29(9-7-27)26(31)20-12-23(32-3)25(34-5)24(13-20)33-4/h12-13,19,21-22,27,30H,6-11,14-18H2,1-5H3/t21-,22-/m1/s1 3905.7693417134 -1697.3066631 1-A 40150.4278 138 490 628 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0.15813 0.02852 0.02622 11.52 17.12 27.67 37.01 38.10 47.26 64.07 76.92 79.20 99.33 105.75 113.37 114.63 126.46 135.66 147.63 162.77 192.29 218.18 223.18 232.85 242.99 249.95 271.90 275.43 293.86 300.10 319.59 334.36 337.33 348.77 381.38 388.73 395.21 406.83 422.84 445.90 461.92 469.77 482.93 509.35 517.05 537.44 552.80 568.50 591.76 609.52 625.84 642.77 675.02 693.77 696.60 724.08 745.20 757.69 765.54 780.36 806.49 821.79 833.60 844.21 935.23 963.91 970.07 977.43 1016.79 1021.94 1076.28 1165.98 1207.91 1220.60 1256.97 1279.57 1296.22 1297.60 1325.02 1343.68 1385.48 1397.41 1405.06 1423.36 1441.41 1454.24 1461.01 1470.82 1476.89 1489.15 1498.05 1507.45 1511.77 1516.82 1549.81 1602.84 1608.56 1626.95 1639.32 1644.32 1671.75 1680.98 1695.43 1710.41 1716.97 1728.76 1745.05 1753.09 1792.17 1805.17 1814.59 1823.05 1833.03 1849.67 1851.93 1860.32 1860.69 1864.15 1876.29 1879.13 1881.89 1884.90 1889.86 1899.27 1906.57 1913.45 1927.73 1947.65 1951.75 1956.60 1974.05 2007.28 2011.89 2015.04 2029.73 2032.11 2054.58 2063.22 2083.22 2090.70 2108.28 2109.41 2121.00 2145.43 2150.47 2164.52 2172.29 2180.45 2197.76 2215.85 2219.52 2236.48 2239.78 2242.83 2244.38 2257.28 2262.29 2266.50 2275.41 2283.28 2284.38 2295.55 2314.68 2323.75 2329.28 2330.19 2341.10 2348.39 2352.21 2355.02 2357.31 2359.62 2360.38 2362.12 2367.89 2369.76 2370.67 2372.84 2376.00 2376.83 2377.35 2380.79 2383.23 2383.37 2384.26 2386.98 2388.58 2394.75 2418.93 2447.14 2558.87 2567.25 2800.43 4488.11 4513.66 4525.16 4529.93 4551.98 4577.02 4593.66 4597.43 4606.75 4615.21 4621.12 4623.82 4628.92 4634.73 4636.03 4644.29 4644.96 4651.02 4681.29 4691.83 4703.66 4706.63 4708.84 4710.12 4712.88 4713.06 4718.62 4723.46 4734.39 4747.05 4771.18 4773.46 4802.88 4804.87 4811.57 4813.11 4814.23 4817.29 4825.33 4830.57 4914.66 4936.84 5257.05 5889.66 0.757520 0.794081 0.795025 0.682966 -1696.549144 -1696.512582 -1696.511638 -1696.623697 3.758477D-04 MUNgauss RevisionA2.0 retrievium 15-Apr-2020 DUDE CC(C)COC[C@@H](CN1CCO[C@@H](C1)C[NH+]2CCN(CC2)C(=O)c3cc(c(c(c3)OC)OC)OC)O C35866126 RHF 6-31G(d) (6D,10F) C1 510.317926 |X|Y|Z| 70.194726 42.706250 182.754673 81.825400 20 6 7 8 16 3 1 |36.858105| |12.441882|36.858105| |7.535242|12.449854|36.858105| |7.613634|12.503530|7.546771|36.858105| |5.104031|7.968831|6.536910|13.585390|73.516695| |3.929375|5.191058|4.546538|8.109474|24.456411|36.858105| |3.128394|4.020037|3.802156|5.197990|14.324773|12.512350|36.858105| |3.110816|4.072721|4.125131|4.958898|13.644219|9.034493|17.607739|0.500000| |2.595170|3.130915|3.005416|3.931090|9.147101|7.599644|12.407133|0.245004|36.858105| |2.222775|2.630710|2.559212|3.118403|6.967378|5.010878|7.610523|0.181686|13.107559|53.358707| |1.955348|2.246036|2.191231|2.628977|5.558919|3.889281|5.015370|0.125244|7.894459|17.868779|36.858105| |1.737999|1.973975|1.932146|2.243326|4.658185|3.090652|3.872909|0.100196|5.099169|10.692581|12.555206|36.858105| |1.698495|1.941695|1.935424|2.163342|4.523982|2.906712|3.704840|0.101033|4.530205|9.264533|7.887408|13.429306|73.516695| |1.860557|2.168013|2.170500|2.405915|5.172959|3.285461|4.432388|0.124018|5.089521|10.779271|6.797432|8.079854|24.141149|36.858105| |1.880060|2.188808|2.155330|2.422773|5.203192|3.280254|4.395867|0.118657|4.813098|9.814393|5.955111|7.213204|16.580149|17.535799|0.500000| |2.135112|2.545926|2.561955|2.901051|6.501321|4.294119|6.441092|0.185447|7.808601|17.925525|8.001686|6.738293|14.003097|12.510359|0.249401|36.858105| |1.738360|2.015059|2.062511|2.173809|4.598328|2.796609|3.595525|0.106067|3.843600|6.877745|4.568693|5.224565|14.538398|12.498654|0.244342|7.553403|36.858105| |1.537364|1.749004|1.778211|1.870803|3.854811|2.328994|2.860035|0.082153|3.077023|5.326865|3.844595|4.756581|12.835762|7.666545|0.185045|4.977267|12.717051|53.358707| |1.502146|1.699576|1.718478|1.835263|3.762006|2.307489|2.816590|0.079634|3.137630|5.525288|4.244486|5.624559|16.254199|7.650189|0.178148|4.940007|9.508090|25.628522|0.500000| |1.430039|1.614317|1.662978|1.702436|3.458451|2.053263|2.450950|0.071559|2.588934|4.234680|3.076615|3.582147|8.640749|5.004911|0.123175|3.854048|7.655934|17.245773|0.256857|36.858105| |1.291961|1.439999|1.472680|1.513540|3.027475|1.794267|2.092875|0.060088|2.216038|3.564107|2.659547|3.141162|7.092547|3.857066|0.100057|3.057248|4.979269|10.456967|0.196315|12.511383|36.858105| |1.272888|1.415179|1.434727|1.481881|2.955843|1.743191|2.024988|0.057530|2.116591|3.397069|2.502473|2.974646|6.499878|3.623479|0.099621|2.854873|4.442217|8.998347|0.164220|7.750648|13.152667|53.358707| |1.340244|1.495218|1.499078|1.579872|3.171538|1.889798|2.220466|0.062145|2.340933|3.852311|2.842929|3.517613|7.732165|4.274361|0.122950|3.199101|4.946947|10.383890|0.195387|6.601160|7.937218|17.892902|36.858105| |1.500021|1.697774|1.704062|1.804418|3.691917|2.210135|2.678287|0.075416|2.811808|4.787175|3.399873|4.228727|10.030939|6.140337|0.181166|4.183479|7.608299|17.275833|0.259033|7.679040|6.638239|10.545479|12.459502|36.858105| |1.241722|1.377195|1.401578|1.425233|2.827931|1.643738|1.890115|0.054045|1.933303|3.034152|2.190011|2.515977|5.344101|3.097418|0.086367|2.544200|3.781018|6.769696|0.120300|5.949356|7.890513|18.574897|7.678706|5.833578|36.858105| |1.240505|1.376857|1.414567|1.415865|2.806160|1.618793|1.854985|0.053667|1.882104|2.916532|2.088592|2.345938|4.984152|2.930662|0.080141|2.473087|3.663976|6.215933|0.109250|5.958388|7.188876|11.531681|5.500081|4.844584|15.909778|73.516695| |1.196288|1.318878|1.331625|1.359299|2.677719|1.549221|1.762159|0.049897|1.787441|2.776060|1.997398|2.281585|4.679543|2.716951|0.078092|2.271169|3.136704|5.286367|0.097149|4.171599|5.039528|10.484634|6.319003|4.823846|12.762548|14.353550|36.858105| |1.203793|1.326157|1.341029|1.353658|2.658785|1.520317|1.718450|0.048852|1.713112|2.622874|1.856418|2.075171|4.203620|2.501385|0.072482|2.144060|2.868758|4.556043|0.082918|3.552540|3.933808|7.110637|4.654115|4.060674|7.751496|11.875569|13.755526|36.858105| |1.151935|1.260199|1.266432|1.282043|2.497775|1.423655|1.590817|0.044891|1.579762|2.393522|1.696675|1.883229|3.725133|2.202602|0.064471|1.919547|2.441120|3.772133|0.070360|2.851851|3.116840|5.381843|3.761924|3.329679|5.090645|8.038785|7.953211|13.708574|36.858105| |1.100218|1.197549|1.196146|1.224651|2.375780|1.363004|1.515902|0.042407|1.519811|2.305365|1.655118|1.851921|3.613484|2.094082|0.061480|1.821059|2.269610|3.537145|0.067592|2.629103|2.939047|5.094553|3.675448|3.129803|4.475136|6.809487|6.889250|7.903935|13.665839|36.858105| |1.092898|1.190386|1.187949|1.226893|2.385308|1.381369|1.542868|0.043018|1.568327|2.402810|1.749768|1.990394|3.896011|2.211434|0.064619|1.893881|2.392226|3.843220|0.074577|2.853047|3.327646|5.994253|4.334931|3.431752|5.043358|7.210760|7.950267|6.835789|7.884843|13.655774|36.858105| |1.137892|1.246683|1.249913|1.290534|2.527125|1.470879|1.660624|0.046520|1.700827|2.639128|1.929476|2.225122|4.461687|2.518833|0.072848|2.111570|2.794608|4.691134|0.090231|3.557647|4.386726|8.752459|5.923218|4.262618|7.580422|9.584620|13.713780|7.878029|6.830702|7.900093|13.716113|36.858105| |1.038272|1.124332|1.117066|1.161399|2.244516|1.303813|1.444698|0.040023|1.476519|2.250468|1.655557|1.881810|3.613247|2.019706|0.058983|1.746350|2.136498|3.388867|0.067276|2.483520|2.877907|4.933113|3.671681|2.956859|3.868424|5.744844|5.214621|4.619880|5.290267|8.232781|14.218124|7.891812|73.516695| |1.017974|1.100922|1.092997|1.143953|2.209438|1.292924|1.432288|0.039550|1.481754|2.267353|1.694113|1.945243|3.713453|2.029361|0.058789|1.747785|2.128122|3.414543|0.069337|2.495930|2.954191|4.974166|3.728751|2.927928|3.662701|5.430458|4.515884|3.786153|3.977370|5.262532|8.013643|6.726515|24.174218|36.858105| |1.055150|1.141464|1.135417|1.163665|2.241507|1.281838|1.411540|0.039322|1.409883|2.116863|1.519735|1.683974|3.231032|1.869351|0.055029|1.651489|1.988980|3.029215|0.058532|2.226636|2.440416|4.052296|2.985023|2.627806|3.401117|5.376912|4.635962|5.236656|8.026101|14.160363|8.033701|5.239265|12.808731|4.711864|73.516695| |0.984434|1.059622|1.057349|1.076684|2.062017|1.176217|1.285773|0.035908|1.284805|1.913252|1.379098|1.515602|2.896307|1.666300|0.048489|1.489610|1.775339|2.684185|0.052190|2.005538|2.204745|3.556269|2.550476|2.260465|2.980491|4.867813|3.856587|4.294138|5.974234|8.129305|5.937948|4.275396|10.403120|4.186673|23.963980|36.858105| |1.142480|1.245885|1.252677|1.256881|2.436058|1.375705|1.524359|0.043093|1.496599|2.238581|1.573831|1.719564|3.366582|2.009491|0.058858|1.787527|2.207002|3.300667|0.061676|2.484024|2.628321|4.310274|3.052887|2.838619|3.911356|6.579311|5.219401|7.894768|14.234208|8.235888|5.290404|4.618840|7.322954|3.217327|12.783288|5.902719|73.516695| |1.181961|1.292623|1.308959|1.294121|2.510852|1.405676|1.557097|0.044409|1.512794|2.247520|1.563795|1.688111|3.322504|2.012462|0.058560|1.812127|2.238193|3.277234|0.060522|2.496985|2.567775|4.079137|2.848630|2.754274|3.721416|6.633064|4.522578|6.733256|8.016167|5.262398|3.977528|3.786041|5.719167|2.661947|8.360692|4.216200|24.135331|36.858105| |2.979628|3.785684|3.483709|4.575690|11.747624|7.851278|13.611425|0.267456|7.810968|9.311876|4.562992|3.845312|6.633081|4.649954|0.139394|6.104053|3.737694|4.077194|0.080594|2.519452|2.159918|2.908578|2.383631|2.919552|2.005849|3.467640|1.892144|1.857970|1.726293|1.641180|1.660846|1.779751|2.754131|1.523905|2.718241|1.380246|2.946428|1.691095|73.516695| |17.562487|8.790242|6.896855|5.518578|7.456188|3.306300|2.762119|0.077439|2.316806|2.759304|1.793185|1.614636|2.829444|1.744117|0.048997|1.976261|1.650318|1.998195|0.039689|1.375738|1.246634|1.675372|1.289654|1.437279|1.208243|2.152715|1.167164|1.180471|1.132427|1.079112|1.067425|1.108300|1.801487|0.990504|1.843933|0.970122|2.006423|1.172119|4.763254|0.500000| |17.540900|8.740649|5.472340|6.928798|8.429643|3.819284|3.032109|0.081516|2.545027|2.979699|1.936041|1.726657|2.972919|1.822334|0.051580|2.073204|1.688750|2.046181|0.040930|1.391436|1.263916|1.703478|1.324511|1.477859|1.219113|2.154544|1.180397|1.186920|1.140604|1.093876|1.087058|1.127978|1.842017|1.016425|1.870876|0.980762|2.011093|1.165186|5.237366|0.301997|0.500000| |17.524950|8.758394|6.799623|6.859983|8.283221|3.767775|2.980292|0.082577|2.536222|2.937184|1.922237|1.698780|2.941955|1.795262|0.049943|2.065688|1.678583|2.025130|0.040576|1.389527|1.257272|1.677084|1.293127|1.441436|1.198660|2.131680|1.151132|1.153917|1.102619|1.055323|1.051805|1.096973|1.779812|0.985057|1.798037|0.946165|1.939226|1.126594|4.906812|0.302063|0.301222|0.500000| |8.895985|17.523113|8.908512|9.014752|13.131914|4.891429|4.009518|0.112095|3.072331|3.595046|2.233367|1.989049|3.495889|2.218860|0.063089|2.575089|2.065419|2.441959|0.048128|1.649315|1.471497|1.983750|1.545719|1.761361|1.424403|2.526676|1.371055|1.386015|1.320401|1.251643|1.238520|1.293474|2.075195|1.137750|2.123614|1.105327|2.328991|1.361927|7.150575|0.212432|0.212865|0.173215|0.500000| |6.832550|8.776885|17.516513|6.799607|10.156879|4.317154|3.566541|0.107206|2.927917|3.365075|2.152174|1.884542|3.341419|2.079437|0.056743|2.460073|1.976756|2.329485|0.046247|1.609008|1.428527|1.882112|1.439257|1.626426|1.346163|2.418546|1.274759|1.277754|1.205537|1.142147|1.138723|1.199938|1.908677|1.054834|1.926965|1.012661|2.114008|1.239258|5.616821|0.169929|0.139406|0.201801|0.173476|0.500000| |5.481268|8.775287|17.588656|6.885647|13.038237|4.993042|4.387860|0.139632|3.347576|3.879630|2.390755|2.100463|3.783729|2.427625|0.066598|2.915700|2.316064|2.672382|0.052372|1.830791|1.602026|2.116654|1.625052|1.868289|1.517588|2.729635|1.432711|1.442093|1.352784|1.271630|1.263576|1.336590|2.101668|1.155503|2.134411|1.114561|2.372450|1.398766|7.070041|0.140824|0.122481|0.139330|0.213228|0.301039|0.500000| |6.879328|8.793055|17.550100|5.492472|8.714305|3.655836|3.202201|0.096168|2.599866|3.099995|1.973124|1.769691|3.173626|1.996642|0.055278|2.306470|1.925274|2.283222|0.044851|1.583216|1.409685|1.876037|1.432227|1.617485|1.356969|2.443338|1.294486|1.311841|1.243119|1.171259|1.157440|1.213247|1.934000|1.060760|1.982216|1.041323|2.198992|1.298464|5.398737|0.206720|0.140667|0.168417|0.213206|0.301705|0.301366|0.500000| |6.853781|8.825218|6.884973|17.467425|16.534494|7.303566|4.742972|0.127614|3.835094|4.090327|2.593628|2.190751|3.739065|2.302291|0.063458|2.784133|2.086740|2.454221|0.049467|1.651654|1.471483|1.946732|1.517072|1.721616|1.371323|2.427076|1.302750|1.291780|1.221701|1.169769|1.176248|1.239584|1.984146|1.103957|1.975016|1.031665|2.124206|1.228377|7.053714|0.140189|0.168666|0.202639|0.174750|0.203398|0.170852|0.140379|0.500000| |7.073055|8.832246|5.491699|17.491030|16.576973|7.269848|4.773238|0.119758|3.758054|4.110730|2.578858|2.214646|3.741916|2.317571|0.065691|2.742933|2.072572|2.457074|0.049421|1.634111|1.465425|1.966273|1.549806|1.760514|1.387463|2.435706|1.332280|1.325767|1.262664|1.212442|1.215327|1.272656|2.054122|1.139047|2.056311|1.069073|2.201159|1.268190|7.873433|0.143220|0.212690|0.173324|0.214404|0.139868|0.140153|0.123103|0.301042|0.500000| |3.758940|4.730685|4.360405|7.196031|16.573108|17.464850|8.846882|0.209046|7.239082|6.378321|3.849284|2.999758|4.987490|3.082614|0.083321|4.024922|2.653910|3.031269|0.061871|1.986289|1.740872|2.278934|1.799934|2.082915|1.574110|2.765890|1.476533|1.442713|1.349312|1.294917|1.317270|1.405272|2.216577|1.242384|2.164697|1.122805|2.313882|1.328699|10.107223|0.087797|0.100012|0.104958|0.117565|0.122519|0.130163|0.097171|0.217405|0.174514|0.500000| |3.813065|4.736889|3.921842|7.285302|16.545842|17.447236|8.868401|0.175789|6.720369|6.400222|3.787491|3.047073|4.959385|3.088918|0.087658|3.858785|2.599740|3.012248|0.061343|1.941502|1.719738|2.295348|1.842811|2.135557|1.587982|2.759859|1.510208|1.480649|1.396393|1.345846|1.365370|1.445623|2.304133|1.287222|2.261050|1.165714|2.399444|1.370512|12.799000|0.088726|0.108066|0.100867|0.127280|0.103384|0.114185|0.090548|0.179294|0.219441|0.301216|0.500000| |2.548057|3.046120|3.012820|3.796893|8.534699|6.754275|8.868781|0.221299|17.427373|12.240101|7.071045|4.611464|7.486086|4.544070|0.114020|6.817770|3.633463|3.985450|0.083431|2.529452|2.162859|2.766561|2.207562|2.612548|1.858320|3.245813|1.705338|1.631951|1.501386|1.443252|1.491233|1.620833|2.498376|1.414760|2.379422|1.227692|2.530052|1.442628|10.148143|0.063258|0.068477|0.070509|0.080993|0.083729|0.093147|0.072110|0.107573|0.098287|0.209438|0.158061|0.500000| |2.577271|3.033846|2.822260|3.883038|8.545163|7.277338|8.841702|0.174459|17.525435|12.651821|7.344459|4.840099|7.181359|4.283916|0.117005|5.705584|3.287915|3.749642|0.078942|2.333252|2.044986|2.685639|2.192595|2.577164|1.803413|3.101775|1.686563|1.615619|1.503943|1.459172|1.508071|1.622946|2.545695|1.442176|2.422488|1.243309|2.536504|1.433313|11.816804|0.063427|0.071548|0.070242|0.082458|0.076788|0.084788|0.068103|0.105991|0.107686|0.196047|0.209016|0.302662|0.500000| |1.904496|2.177688|2.161431|2.534613|5.297488|3.656464|4.548339|0.119397|6.912385|12.240616|17.428014|8.873369|12.385458|5.872976|0.135408|7.107265|4.370031|5.020948|0.113856|3.065813|2.639130|3.298038|2.678972|3.145628|2.123255|3.643058|1.916192|1.778944|1.620181|1.576931|1.668076|1.845271|2.805958|1.619838|2.572125|1.322677|2.674491|1.500805|7.014153|0.048611|0.051945|0.052540|0.059415|0.059757|0.065518|0.054062|0.070768|0.068139|0.104710|0.096449|0.204696|0.172634|0.500000| |1.965596|2.230923|2.138429|2.645637|5.480987|3.903943|4.718460|0.113185|7.334791|12.475722|17.578008|8.948648|10.153960|5.055306|0.133260|5.739720|3.664675|4.378263|0.097780|2.644220|2.351268|3.057531|2.547448|2.957515|1.986125|3.359854|1.840409|1.718838|1.589880|1.562631|1.649361|1.797368|2.801702|1.616393|2.573952|1.317312|2.634652|1.467013|7.652786|0.049782|0.054614|0.053847|0.061391|0.058557|0.063855|0.053407|0.072869|0.073461|0.108245|0.110243|0.180028|0.229510|0.301120|0.500000| |1.605921|1.800081|1.767018|2.032341|4.133408|2.710833|3.251532|0.085082|4.179198|7.692098|8.815452|17.636672|16.853294|5.855392|0.146519|5.048393|4.395025|5.842643|0.145766|3.390835|3.085417|3.933101|3.364335|3.811347|2.423505|4.010970|2.198434|1.981129|1.804497|1.791783|1.944601|2.174668|3.302525|1.947752|2.902651|1.478814|2.919876|1.603171|5.655359|0.041573|0.044365|0.043877|0.050110|0.048247|0.052892|0.045190|0.055689|0.055876|0.074449|0.074655|0.110179|0.113643|0.217084|0.209568|0.500000| |1.738816|1.969268|1.901259|2.233788|4.620917|3.047621|3.782004|0.095604|4.750100|9.541126|8.871021|17.548488|16.532159|7.153362|0.213059|5.823171|4.732506|6.052322|0.140706|3.333119|2.992530|4.011929|3.596260|4.312743|2.512050|4.107395|2.328529|2.124907|1.947289|1.928045|2.071122|2.293420|3.495907|2.027317|3.129801|1.571782|3.160611|1.732763|7.047519|0.044901|0.048382|0.046880|0.055676|0.051092|0.057126|0.048534|0.059879|0.062074|0.080358|0.085485|0.114130|0.130415|0.173815|0.218362|0.299818|0.500000| |2.318036|2.827941|2.862753|3.188613|7.397398|4.700682|7.473894|0.235305|7.192713|12.496891|5.740534|5.025265|10.168247|8.938236|0.220383|17.641231|6.815810|6.150195|0.118241|3.623883|2.877989|3.725730|3.036127|3.984443|2.506262|4.372381|2.258435|2.172963|1.949753|1.830047|1.876883|2.076428|3.059141|1.701561|2.958320|1.499060|3.261612|1.880405|13.523645|0.059700|0.062119|0.061547|0.080572|0.074901|0.092567|0.071397|0.083136|0.082602|0.117222|0.114042|0.170342|0.146511|0.144070|0.127980|0.110485|0.130668|0.500000| |2.075906|2.460231|2.533848|2.784271|6.130312|3.994643|5.582179|0.171736|6.825407|12.244795|7.123614|5.867235|12.443823|8.854996|0.174662|17.399629|7.053145|6.463337|0.132715|3.906285|3.061043|3.764664|2.996446|3.787659|2.467460|4.334634|2.172784|2.046347|1.825113|1.729090|1.801257|2.015337|2.956354|1.671325|2.786479|1.426316|3.024223|1.731929|8.661636|0.053509|0.055464|0.056452|0.068004|0.068728|0.080234|0.063380|0.075887|0.072102|0.109199|0.097799|0.195541|0.140789|0.210980|0.144233|0.132541|0.133860|0.299484|0.500000| |1.797407|2.098589|2.159643|2.230463|4.741957|2.809680|3.604351|0.108463|3.624111|6.154505|3.891025|4.237299|10.317022|8.744878|0.215076|6.563785|17.625478|12.312506|0.183235|6.717072|4.537621|5.802987|4.649101|7.147314|3.858799|6.777833|3.241372|3.059739|2.586911|2.354770|2.430748|2.814457|3.812318|2.096470|3.663815|1.832017|4.201650|2.438376|6.883247|0.047666|0.048351|0.047837|0.060404|0.056836|0.067935|0.056359|0.058812|0.058806|0.072938|0.072149|0.094205|0.086154|0.102458|0.089887|0.100125|0.111975|0.191958|0.165566|0.500000| |1.725979|1.998069|2.075667|2.153818|4.535218|2.755477|3.493954|0.105690|3.780222|6.484909|4.433618|4.789927|12.653611|8.875172|0.173692|7.122048|17.630431|12.471633|0.221193|7.495965|4.783511|5.447086|4.168650|5.614488|3.456657|6.163162|2.841824|2.610689|2.231624|2.077162|2.186458|2.542030|3.497571|1.971065|3.256270|1.657489|3.615167|2.076629|6.145788|0.045524|0.046256|0.046657|0.056235|0.055845|0.064910|0.053739|0.058151|0.056491|0.074176|0.070190|0.103809|0.088925|0.125609|0.098437|0.116482|0.115315|0.174388|0.220815|0.300573|0.500000| |1.455876|1.648651|1.709199|1.719879|3.497246|2.044508|2.434370|0.071946|2.500028|4.007148|2.818267|3.172048|7.366357|4.569449|0.116067|3.676314|7.051288|12.352843|0.180780|17.635320|8.830331|9.444881|5.787998|6.937126|6.325338|12.384807|4.383210|3.896625|3.053433|2.725377|2.877495|3.551505|4.376876|2.415076|4.083967|2.067444|4.770710|2.762886|4.492927|0.039094|0.039223|0.039141|0.047030|0.045682|0.052500|0.045463|0.046114|0.045672|0.054596|0.053439|0.067653|0.062330|0.077551|0.067931|0.082174|0.083487|0.100270|0.102707|0.201772|0.189007|0.500000| |1.436188|1.621008|1.682402|1.714962|3.480626|2.075035|2.469466|0.072752|2.641603|4.278427|3.155299|3.585569|8.613880|4.830613|0.113540|3.918554|7.139227|12.372336|0.225336|17.623054|8.787982|7.631778|4.952840|5.614615|4.580615|8.464141|3.415942|2.988259|2.469789|2.298486|2.478202|3.004686|3.915738|2.233708|3.525358|1.811485|3.898247|2.218238|4.399175|0.038312|0.038665|0.038987|0.045626|0.045563|0.051506|0.044356|0.046601|0.045480|0.056444|0.054102|0.073208|0.065715|0.090134|0.074752|0.095677|0.089723|0.100455|0.116043|0.166078|0.232926|0.299909|0.500000| |1.235431|1.371028|1.410586|1.430840|2.841960|1.670393|1.924509|0.055592|2.019117|3.176338|2.360062|2.706234|5.916570|3.259512|0.084639|2.704630|4.134026|7.612871|0.144015|8.945680|17.684784|12.479856|5.718045|4.951579|7.532956|14.351659|4.812957|3.857880|3.052412|2.849826|3.183956|4.130969|4.898931|2.811613|4.220751|2.186212|4.617111|2.565186|3.505478|0.033244|0.033492|0.033463|0.038840|0.038108|0.042527|0.037691|0.038756|0.038390|0.045228|0.044374|0.055253|0.051864|0.065796|0.058542|0.074294|0.071523|0.071650|0.076332|0.108304|0.114935|0.214833|0.211180|0.500000| |1.263386|1.402762|1.428408|1.484771|2.959942|1.771515|2.058119|0.058541|2.220785|3.589366|2.762458|3.333766|7.456585|3.799933|0.097607|3.012903|4.608429|9.409870|0.207285|8.850494|17.534434|12.547059|7.184430|5.852032|5.822335|9.265018|4.249184|3.356969|2.776082|2.700110|3.107060|3.999606|4.943430|2.949323|4.058810|2.075477|4.198983|2.281399|3.741712|0.033755|0.034416|0.034274|0.039644|0.038669|0.042979|0.037850|0.040287|0.040067|0.048039|0.047391|0.060461|0.057387|0.076672|0.068023|0.093782|0.087237|0.077024|0.084285|0.111844|0.125011|0.173402|0.213812|0.302092|0.500000| |1.313799|1.459789|1.454839|1.535193|3.064592|1.814306|2.110466|0.058668|2.195315|3.558117|2.597395|3.154259|6.598828|3.729764|0.111518|2.889745|4.121725|7.598217|0.143798|4.941781|5.703539|12.393715|17.681784|8.957029|7.192129|8.986491|7.325193|5.313718|4.396380|4.412384|5.342864|7.358003|7.804018|4.320021|6.222889|2.886831|6.148486|3.119753|4.083464|0.035207|0.036207|0.035090|0.042144|0.038655|0.043617|0.038761|0.040767|0.042060|0.047732|0.049515|0.057099|0.057693|0.067348|0.065841|0.083550|0.092120|0.077617|0.074358|0.112337|0.097152|0.129680|0.108808|0.127421|0.145360|0.500000| |1.308168|1.453202|1.451303|1.546766|3.092879|1.862481|2.177821|0.060364|2.344415|3.880988|2.966159|3.792837|8.187924|4.188773|0.118636|3.141670|4.560280|9.281664|0.204204|5.772405|7.129718|12.499234|17.545197|8.835610|5.731684|7.880128|4.960811|3.786535|3.218715|3.258799|3.911331|5.107114|6.233472|3.753627|4.847584|2.367211|4.739795|2.477871|4.108442|0.034853|0.036000|0.035200|0.041515|0.038905|0.043512|0.038386|0.041473|0.042300|0.049604|0.050729|0.061622|0.061606|0.077747|0.074223|0.104116|0.107522|0.080802|0.082245|0.113616|0.109754|0.133374|0.129920|0.145138|0.215062|0.303374|0.500000| |1.560152|1.769042|1.753557|1.899746|3.905894|2.368325|2.898602|0.079827|3.077179|5.388439|3.817847|4.939332|11.376505|6.974857|0.234189|4.547649|7.039952|12.350543|0.227281|5.608885|4.981552|7.645938|8.806894|17.651594|4.499422|6.804076|4.046107|3.524875|3.035371|2.920163|3.184434|3.776525|5.021877|2.815802|4.470026|2.155683|4.687653|2.540337|5.733344|0.041307|0.042941|0.041545|0.051116|0.046375|0.053288|0.045980|0.050127|0.051883|0.061461|0.064260|0.077622|0.079049|0.094509|0.092496|0.119557|0.148317|0.118744|0.109204|0.179934|0.142719|0.142158|0.126747|0.109135|0.131785|0.212348|0.215242|0.500000| |1.535169|1.744424|1.758805|1.832810|3.757042|2.210405|2.673116|0.076245|2.714093|4.498514|3.077641|3.621374|8.230472|5.448229|0.164058|3.985944|7.057719|12.413266|0.181932|6.943914|5.789337|9.391778|8.795281|17.609300|6.148908|9.395524|5.168038|4.612364|3.680127|3.312429|3.490157|4.265595|5.214217|2.808833|4.906332|2.356995|5.619975|3.133662|5.259624|0.041062|0.041900|0.040766|0.050641|0.046300|0.053800|0.046637|0.048251|0.049485|0.057415|0.059007|0.069956|0.068684|0.079456|0.075064|0.090034|0.102900|0.111034|0.100156|0.219545|0.147005|0.206236|0.142528|0.129259|0.134246|0.215423|0.173124|0.300352|0.500000| |1.243119|1.374654|1.399686|1.395799|2.748751|1.561321|1.768382|0.050746|1.746996|2.661706|1.863504|2.057926|4.201142|2.545285|0.073144|2.204260|2.981314|4.625027|0.082554|3.690708|3.907442|6.650749|4.274195|3.990022|7.267886|13.061451|8.967702|17.792897|8.856488|5.620558|4.939481|5.639139|6.521213|3.134988|7.494287|3.633424|12.498615|7.451567|3.394303|0.033941|0.033906|0.033065|0.039950|0.036975|0.041985|0.038133|0.036961|0.037775|0.041128|0.041963|0.046362|0.045439|0.049819|0.047691|0.054211|0.058061|0.062731|0.058727|0.090399|0.075891|0.117607|0.086459|0.108432|0.090757|0.128104|0.096639|0.095154|0.130766|0.500000| |1.123239|1.229476|1.231836|1.280077|2.506378|1.469657|1.660537|0.046376|1.722479|2.688487|1.997198|2.334406|4.680677|2.573551|0.073686|2.140451|2.834518|4.870581|0.096449|3.691388|4.792093|9.574828|6.464643|4.332803|6.994988|8.911190|8.915736|5.630531|4.935416|5.623858|8.882552|17.778640|12.541555|7.473552|7.507681|3.618525|6.518652|3.133212|3.139313|0.030302|0.030942|0.030176|0.035282|0.032978|0.036560|0.033100|0.034288|0.035086|0.039182|0.040166|0.045739|0.045767|0.053227|0.051667|0.064248|0.066539|0.057659|0.057013|0.077332|0.072057|0.098370|0.087187|0.123235|0.126935|0.210485|0.166999|0.107054|0.113967|0.124445|0.500000| |0.996528|1.077698|1.075028|1.119098|2.160959|1.264337|1.400552|0.038854|1.452717|2.220421|1.665627|1.908675|3.672161|1.995971|0.057054|1.722028|2.119428|3.427611|0.069768|2.570297|3.123327|5.196979|3.694483|2.870436|3.840063|5.739863|4.589429|3.750555|3.800488|4.776617|7.046984|6.729628|16.429617|17.564680|7.405986|3.894595|5.466274|2.593059|2.628752|0.026947|0.027565|0.026851|0.030844|0.028896|0.031595|0.028989|0.030094|0.030851|0.033889|0.034825|0.038771|0.039145|0.044613|0.043973|0.053392|0.054577|0.046430|0.046153|0.057729|0.055103|0.068780|0.064204|0.084188|0.087063|0.114136|0.103861|0.075267|0.076227|0.087165|0.224254|0.500000| |1.062908|1.152870|1.141341|1.204560|2.335820|1.375308|1.532333|0.042131|1.596303|2.467043|1.854394|2.162549|4.124992|2.231193|0.065038|1.895590|2.317059|3.766925|0.077327|2.689513|3.188721|5.444843|4.311355|3.291859|3.809284|5.527052|4.558104|3.713382|3.764016|4.744392|7.006821|6.713339|16.433571|17.553492|7.414688|3.584984|5.416427|2.565897|2.906289|0.028635|0.029513|0.028563|0.033094|0.030586|0.033570|0.030655|0.032269|0.033361|0.036658|0.038108|0.042157|0.043212|0.048948|0.049104|0.060273|0.063101|0.050919|0.050049|0.062804|0.059046|0.071227|0.066419|0.082022|0.089762|0.141774|0.124316|0.089115|0.085672|0.086209|0.224317|0.298508|0.500000| |0.975761|1.050352|1.039980|1.090741|2.095658|1.225578|1.347679|0.037095|1.393583|2.116096|1.584722|1.805080|3.396061|1.852320|0.053675|1.615314|1.918529|3.020844|0.061715|2.196111|2.545139|4.134851|3.122794|2.548210|3.034333|4.635961|3.621671|3.183851|3.412022|4.429980|5.893009|4.907399|17.016864|17.663430|7.658208|3.994055|5.126910|2.408472|2.544588|0.026390|0.027123|0.026248|0.030133|0.027911|0.030423|0.028065|0.029269|0.030255|0.032757|0.034018|0.036992|0.037891|0.042113|0.042335|0.050396|0.052369|0.043716|0.042945|0.052491|0.049638|0.059103|0.055364|0.067708|0.071160|0.098405|0.088316|0.069134|0.068079|0.075131|0.146081|0.299951|0.300255|0.500000| |0.960178|1.029574|1.024103|1.044541|1.992078|1.134464|1.233125|0.034336|1.229492|1.820848|1.311823|1.434077|2.715424|1.562088|0.045573|1.407430|1.646710|2.461092|0.048082|1.821710|1.978023|3.141067|2.287649|2.060415|2.575678|4.239655|3.215689|3.539166|4.684769|5.914978|4.670948|3.530997|8.645203|3.685188|16.893987|17.652615|8.682985|3.698963|2.355311|0.026314|0.026633|0.025620|0.029859|0.027237|0.029886|0.028057|0.027787|0.028890|0.030069|0.031333|0.032608|0.033183|0.034905|0.034989|0.038879|0.041437|0.039403|0.037386|0.047176|0.042768|0.052018|0.046054|0.054288|0.052139|0.071489|0.059592|0.055272|0.059499|0.085861|0.085703|0.094050|0.089322|0.101705|0.500000| |0.984657|1.060475|1.062848|1.073102|2.054862|1.167086|1.275170|0.035791|1.268547|1.882772|1.351061|1.475965|2.835007|1.641615|0.047535|1.474805|1.765591|2.654530|0.051247|2.008592|2.194642|3.505178|2.465508|2.212802|3.004253|5.032537|3.840182|4.488045|6.290006|7.189621|5.157499|4.010495|8.397763|3.581233|16.422857|17.594010|12.140945|4.894826|2.428553|0.027017|0.027179|0.026285|0.030733|0.028266|0.031153|0.029153|0.028565|0.029507|0.030965|0.032011|0.033762|0.033975|0.036122|0.035745|0.039906|0.042284|0.041403|0.039376|0.050945|0.046007|0.058172|0.050490|0.061162|0.056812|0.076360|0.062991|0.058078|0.064818|0.108307|0.093857|0.095915|0.087157|0.093589|0.299657|0.500000| |0.955373|1.027320|1.025988|1.047156|2.004431|1.147914|1.254702|0.035021|1.262313|1.883159|1.368247|1.509782|2.884012|1.641757|0.047492|1.464045|1.749499|2.669180|0.052318|2.007619|2.244749|3.614159|2.563741|2.230418|2.997091|4.867948|3.839809|4.034056|5.192923|7.187908|6.227416|4.456769|11.929162|4.823697|16.424931|17.588542|8.470979|3.610826|2.380828|0.026111|0.026431|0.025578|0.029663|0.027382|0.030028|0.028016|0.027961|0.028875|0.030548|0.031600|0.033607|0.033968|0.036568|0.036315|0.041203|0.043352|0.040657|0.039097|0.049676|0.045576|0.056913|0.050534|0.062147|0.059224|0.080008|0.066964|0.058908|0.063666|0.094448|0.107512|0.127298|0.109050|0.129308|0.299644|0.298277|0.500000| |1.267240|1.395200|1.413358|1.395944|2.726168|1.522334|1.698398|0.048579|1.638102|2.441392|1.680394|1.811545|3.588063|2.209425|0.064752|1.984574|2.472683|3.581063|0.065216|2.695893|2.702931|4.293689|3.049561|3.043259|3.889838|6.929995|4.577291|6.725966|7.013558|4.746148|3.768194|3.722494|5.417242|2.567253|7.398311|3.603027|16.429987|17.563890|3.307911|0.034881|0.034660|0.033437|0.041011|0.036994|0.042165|0.038909|0.036643|0.037928|0.039756|0.041121|0.043190|0.042899|0.044607|0.043597|0.047351|0.051756|0.057745|0.052340|0.076228|0.063072|0.084131|0.065976|0.073995|0.066123|0.092619|0.072606|0.077853|0.099054|0.223667|0.086352|0.069093|0.070240|0.064297|0.089517|0.110282|0.087669|0.500000| |1.153533|1.261123|1.285249|1.262293|2.447961|1.371247|1.518686|0.043541|1.481059|2.198384|1.536094|1.655960|3.278471|1.976332|0.056750|1.782841|2.227691|3.278937|0.060492|2.566666|2.661329|4.170164|2.811108|2.696693|3.902116|7.270594|4.589475|6.739134|7.052562|4.780443|3.800990|3.745073|5.469652|2.593633|7.405863|3.927959|16.423192|17.571663|2.903444|0.031787|0.031484|0.030646|0.036737|0.033928|0.038191|0.035428|0.033423|0.034233|0.036188|0.036984|0.039491|0.038865|0.041247|0.039906|0.043871|0.046794|0.051200|0.047791|0.067162|0.058096|0.079544|0.063606|0.075449|0.065143|0.083670|0.068040|0.068083|0.084688|0.223934|0.086970|0.071744|0.069032|0.064961|0.094555|0.129201|0.096966|0.298566|0.500000| |1.154278|1.256001|1.270045|1.250615|2.411053|1.342866|1.474449|0.041983|1.425538|2.098188|1.458386|1.561157|3.039401|1.838153|0.053509|1.677404|2.016227|2.907877|0.054218|2.197554|2.242822|3.490878|2.470022|2.411482|3.074136|5.493257|3.625785|4.911093|5.895610|4.429788|3.411739|3.183544|5.125992|2.408335|7.643784|4.021831|17.009424|17.664159|2.845225|0.031913|0.031647|0.030528|0.036820|0.033373|0.037531|0.035153|0.032952|0.034105|0.035259|0.036453|0.037790|0.037666|0.038900|0.038224|0.041234|0.044569|0.048484|0.044570|0.060817|0.052279|0.066920|0.055009|0.062286|0.056137|0.074651|0.060770|0.062791|0.075217|0.145781|0.075096|0.064921|0.064285|0.061675|0.102104|0.131258|0.094331|0.300161|0.299854|0.500000| 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