Version2.4 2021-05-28T13:31:00Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1cc(cc(c1OCC(=O)NC(C)(C)C)Br)C[NH2+][C@H](C)C23CC4CC(C2)CC(C4)C3 C08443860 RHF 6-31G(d) (6D,7F) CCOc1cc(cc(c1OCC(=O)NC(C)(C)C)Br)C[NH2+][C@H](C)C23CC4CC(C2)CC(C4)C3 C01[X(C27H42Br1N2O3)] 219 C1 594 CCOc1cc(C[NH2+][C@@H](C23CC4CC(C3)CC(C2)C4)C)cc(c1OCC(=O)NC(C)(C)C)Br CCOc1cc(C[NH2+][C@@H](C23CC4CC(C3)CC(C2)C4)C)cc(c1OCC(=O)NC(C)(C)C)Br CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCC(=O)NC(C)(C)C InChIKey=YDQPJXRIFVWUOO-IHAPDJFTSA-O InChI=1S/C27H41BrN2O3/c1-6-32-23-11-21(10-22(28)25(23)33-16-24(31)30-26(3,4)5)15-29-17(2)27-12-18-7-19(13-27)9-20(8-18)14-27/h10-11,17-20,29H,6-9,12-16H2,1-5H3,(H,30,31)/p+1/t17-,18?,19?,20?,27?/m1/s1 InChI=1/C27H41BrN2O3/c1-6-32-23-11-21(10-22(28)25(23)33-16-24(31)30-26(3,4)5)15-29-17(2)27-12-18-7-19(13-27)9-20(8-18)14-27/h10-11,17-20,29H,6-9,12-16H2,1-5H3,(H,30,31)/p+1/t17-,18?,19?,20?,27?/m1/s1/fC27H42BrN2O3/h29-30H/q+1 CCOc1cc(cc(c1OCC(=O)NC(C)(C)C)Br)C[NH2+][C@H](C)C23CC4CC(C2)CC(C4)C3 C01[X(C27H42Br1N2O3)] 219 C01 594 CCOc1cc(C[NH2+][C@@H](C23CC4CC(C3)CC(C2)C4)C)cc(c1OCC(=O)NC(C)(C)C)Br CCO[C]1[CH][C]([CH][C]([C]1OCC(=O)NC(C)(C)C)Br)C[NH2][C@@H]([C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)C CCO[C]1[CH][C]([CH][C](Br)[C]1OCC(=O)NC(C)(C)C)C[NH2][C@H](C)C23CC4CC(CC(C4)C2)C3 InChIKey=DHYCVDXWDMBXQC-ADTLFBKLSA-N InChI=1S/C27H42BrN2O3/c1-6-32-23-11-21(10-22(28)25(23)33-16-24(31)30-26(3,4)5)15-29-17(2)27-12-18-7-19(13-27)9-20(8-18)14-27/h10-11,17-20H,6-9,12-16,29H2,1-5H3,(H,30,31)/t17-,18-,19+,20-,27-/m1/s1 InChI=1/C27H42BrN2O3/c1-6-32-23-11-21(10-22(28)25(23)33-16-24(31)30-26(3,4)5)15-29-17(2)27-12-18-7-19(13-27)9-20(8-18)14-27/h10-11,17-20H,6-9,12-16,29H2,1-5H3,(H,30,31)/t17-,18-,19+,20-,27-/m1/s1/f/h30H 4054.9331964169 -3950.0999632 1-A 29155.5291 138 456 594 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.16074 -64.57170 -58.71115 -58.70910 -58.70899 -20.68095 -20.66689 -20.59346 -15.83825 -15.65277 -11.44309 -11.43748 -11.42019 -11.41220 -11.40701 -11.40378 -11.37930 -11.37891 -11.37474 -11.36589 -11.36515 -11.35735 -11.34851 -11.34518 -11.34367 -11.33856 -11.33422 -11.32842 -11.32820 -11.32339 -11.31457 -11.31110 -11.31066 -11.27920 -11.27486 -11.26321 -11.26156 -9.81958 -7.56902 -7.55975 -7.55951 -3.30814 -3.30370 -3.30342 -3.29260 -3.29259 -1.52591 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17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 6 6 8 6 6 6 6 6 6 8 6 6 8 7 6 6 6 6 35 6 7 1 1 6 1 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 78.91834 12.00000 14.00307 1.00783 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 10277.8946 45027.1753 48658.8510 0.99987 -0.01631 -0.00088 0.01632 0.99950 0.02697 0.00044 -0.02698 0.99964 1 0.00843 0.00192 0.00178 0.17559 0.04008 0.03709 13.19 16.44 23.91 26.33 39.01 49.59 77.87 82.72 103.84 112.10 128.26 152.60 155.09 183.71 201.56 216.48 237.71 257.05 286.14 295.15 350.07 355.25 358.41 365.50 375.38 401.94 417.81 422.73 453.33 467.07 473.26 476.44 485.05 498.33 508.30 525.06 537.82 544.04 593.18 605.84 628.18 635.66 646.60 653.85 678.33 684.47 690.46 711.16 724.25 741.85 775.71 816.35 869.80 931.12 950.96 962.69 1010.64 1011.63 1015.30 1057.93 1081.57 1134.25 1190.31 1202.20 1234.43 1242.44 1257.39 1258.81 1280.21 1297.90 1335.23 1340.23 1384.43 1394.57 1400.31 1401.09 1405.62 1443.88 1447.95 1455.22 1456.98 1462.34 1467.97 1475.19 1499.97 1510.18 1514.45 1518.74 1525.30 1531.49 1542.04 1565.16 1610.06 1630.55 1636.29 1642.49 1643.00 1662.51 1667.88 1686.39 1704.18 1710.49 1716.98 1747.83 1763.04 1776.11 1777.68 1779.88 1800.35 1808.14 1822.07 1839.24 1863.92 1910.27 1916.42 1922.65 1941.60 1956.60 1969.60 1983.43 2000.61 2013.50 2029.66 2038.02 2052.56 2058.92 2080.47 2093.44 2093.88 2101.19 2109.92 2140.50 2140.89 2144.26 2146.69 2151.22 2190.96 2195.43 2204.06 2214.88 2216.87 2218.34 2228.26 2229.23 2239.72 2240.48 2262.96 2268.10 2273.68 2280.58 2283.06 2307.20 2334.80 2342.02 2342.86 2349.34 2355.12 2356.81 2358.03 2361.44 2363.46 2364.43 2365.24 2366.76 2369.01 2375.04 2379.69 2380.51 2389.43 2403.42 2404.69 2405.67 2479.22 2534.48 2579.53 2626.37 2817.65 4532.92 4556.93 4599.75 4601.03 4605.12 4611.17 4612.38 4620.70 4627.54 4630.64 4631.25 4641.79 4644.04 4654.51 4656.61 4657.85 4660.10 4664.12 4667.83 4669.42 4682.28 4685.94 4690.00 4703.42 4706.20 4710.57 4725.02 4730.68 4732.34 4739.24 4745.09 4765.87 4775.93 4782.17 4800.90 4818.44 4829.61 4845.67 4867.65 5305.23 5401.74 5581.95 0.714186 0.746047 0.746991 0.645972 -3949.385777 -3949.353917 -3949.352972 -3949.453991 3.388194D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE CCOc1cc(cc(c1OCC(=O)NC(C)(C)C)Br)C[NH2+][C@H](C)C23CC4CC(C2)CC(C4)C3 C08443860 RHF 6-31G(d) (6D,10F) C1 521.237880 |X|Y|Z| 152.591098 61.575594 45.610862 75.393753 19 6 7 18 1 |36.858105| |12.607145|36.858105| |8.011097|13.233972|73.516695| |5.239739|8.016735|25.264122|36.858105| |4.202762|5.704907|14.397920|13.783638|36.858105| |3.254030|4.179488|9.336193|7.902979|13.695678|36.858105| |2.989110|3.822889|8.214075|6.844415|7.939182|13.765611|36.858105| |3.304733|4.339657|9.323128|7.931359|6.905081|7.955270|13.743364|36.858105| |4.300098|6.101455|14.210930|13.599313|7.917160|6.835644|7.892552|13.750683|36.858105| |4.497020|6.089494|12.292209|8.028338|5.250706|4.614973|5.231224|8.021951|14.193931|73.516695| |4.232405|5.035865|10.539000|6.054881|4.323132|3.826641|4.207148|5.776109|8.085296|24.040781|36.858105| |4.367663|4.746330|8.667162|4.503503|3.409004|3.017466|3.220010|4.103179|5.292708|14.257853|12.467327|36.858105| |5.368890|5.631192|9.183228|4.467096|3.375851|2.919099|3.029969|3.752502|4.907705|12.509843|8.035055|15.881461|73.516695| |3.432977|3.571302|6.566981|3.504784|2.820197|2.578785|2.771313|3.419398|4.051779|9.685650|7.899106|14.188986|14.979595|53.358707| |3.068541|3.047320|5.382405|2.829349|2.356540|2.167255|2.294080|2.726960|3.136628|7.033406|4.958146|7.569558|11.597296|17.535082|36.858105| |2.923175|2.941373|4.984213|2.650118|2.225220|2.064476|2.197448|2.606750|2.956329|6.631176|4.233393|6.141679|10.769813|10.493512|12.427888|36.858105| |2.500443|2.498835|4.518447|2.436260|2.089230|1.962937|2.090995|2.442266|2.700095|5.783045|4.013832|5.132008|7.767682|10.790162|12.440445|7.596179|36.858105| |3.318288|3.097366|5.406250|2.729727|2.291459|2.068434|2.130685|2.471927|2.881301|6.217105|4.279453|6.163241|10.854731|10.506601|12.432168|7.546071|7.605125|36.858105| |2.673783|3.283506|6.488951|4.594981|4.102112|4.612581|6.724003|10.105353|6.711266|11.100055|5.118277|3.905190|6.132642|4.740082|2.797141|2.728839|2.580816|2.426168|2539.412838| |2.731339|3.304890|6.967837|5.032299|7.591108|12.663505|7.607638|5.044985|4.439554|6.013080|2.955563|2.443609|4.237060|2.927521|1.855474|1.775375|1.707680|1.789438|121.651342|36.858105| |2.500570|2.901065|6.231024|4.261579|5.850799|7.709781|5.737985|4.223125|3.811433|5.368977|2.782760|2.303762|3.938684|2.814070|1.788949|1.685992|1.669809|1.736124|108.527417|12.612333|53.358707| |2.712322|3.115096|6.892566|4.606289|6.417515|7.260709|5.226015|4.106430|3.921319|5.537100|2.916925|2.410611|4.130408|2.929241|1.857990|1.734451|1.726225|1.822285|103.952152|9.303244|25.745958|0.500000| |2.408007|2.792231|6.031430|4.175508|5.372943|7.273840|6.211989|4.543419|3.937220|5.554039|2.915567|2.376115|3.994294|2.927196|1.846222|1.730654|1.736982|1.773843|119.018126|9.225939|25.701833|0.330911|0.500000| |2.135561|2.404017|4.951513|3.208535|4.089863|4.909925|4.058209|3.195223|2.927390|4.327958|2.277256|1.946177|3.351904|2.417716|1.566739|1.485584|1.477183|1.529318|88.504607|7.374057|17.007381|0.253306|0.253278|36.858105| |2.155891|2.426195|4.903880|3.140714|4.047371|4.729855|3.809498|3.026757|2.817476|4.183387|2.175270|1.882506|3.283157|2.326565|1.517509|1.449725|1.422496|1.488029|83.555871|7.358053|12.474908|0.208318|0.182669|17.596788|0.500000| |1.900004|2.139892|4.321221|2.812439|3.420880|4.235980|3.859571|3.043310|2.691272|4.040699|2.125111|1.824258|3.121476|2.292421|1.490956|1.423072|1.419065|1.439654|88.726481|5.888496|10.524315|0.159856|0.209722|12.473522|0.247047|36.858105| |2.039632|2.230745|4.603081|2.866635|3.500845|3.856156|3.274289|2.739691|2.598532|3.943083|2.134185|1.845559|3.174841|2.316866|1.512435|1.420919|1.435396|1.492363|77.604066|4.945954|10.288406|0.210665|0.180766|12.274879|0.246209|7.260593|36.858105| |1.768724|1.908602|3.828175|2.342647|2.768511|3.019951|2.663651|2.278777|2.161800|3.356469|1.821267|1.605772|2.775833|2.036717|1.347313|1.274700|1.287300|1.331312|66.905656|3.764417|6.692703|0.131794|0.124249|7.557598|0.189106|6.286114|12.309896|36.858105| |1.668741|1.765775|3.524290|2.106780|2.422380|2.551936|2.281998|2.013005|1.945089|3.074400|1.695106|1.512012|2.615299|1.933801|1.289287|1.214149|1.238338|1.284121|59.912541|3.004570|5.128027|0.106627|0.098232|4.892791|0.126467|4.242099|7.509033|12.394234|36.858105| |1.772895|1.852223|3.692613|2.164754|2.488494|2.533458|2.222062|1.982919|1.958360|3.104780|1.715266|1.540365|2.685625|1.960491|1.310991|1.232218|1.251388|1.319235|58.232440|2.934042|4.876829|0.106386|0.090954|4.355290|0.118797|3.553481|6.392825|7.579824|12.422961|36.858105| |2.043246|2.138227|4.364527|2.551670|2.971661|2.960181|2.533902|2.259052|2.260202|3.544355|1.965755|1.745727|3.037591|2.203865|1.460100|1.361213|1.384891|1.474190|64.740915|3.388510|5.835787|0.136561|0.107083|4.874541|0.129352|3.695438|7.494151|6.479194|7.620152|12.419531|36.858105| |2.235633|2.407569|4.985539|3.007663|3.693870|3.773692|3.090130|2.655080|2.621458|3.996375|2.169588|1.894001|3.296689|2.358954|1.545437|1.447764|1.453789|1.546325|73.810594|4.620385|8.558612|0.207520|0.143741|7.503664|0.199791|4.826604|12.294496|7.621685|6.504333|7.607399|12.391683|36.858105| |2.000131|2.085129|4.310368|2.521147|2.857502|2.855519|2.515602|2.278157|2.275373|3.598209|2.037718|1.799511|3.089397|2.295843|1.515893|1.397791|1.451279|1.528045|66.174194|3.140163|5.503906|0.129011|0.107677|4.326923|0.107752|3.482034|6.421292|5.376857|6.484690|7.583478|12.408197|7.603379|36.858105| |1.852289|1.962034|4.044045|2.427604|2.754528|2.877659|2.600028|2.321221|2.251843|3.547290|2.001950|1.753096|2.981005|2.251320|1.481472|1.370600|1.429988|1.473092|68.600387|3.222007|5.859361|0.129086|0.120094|4.842419|0.113207|4.116213|7.526917|6.488062|7.599773|6.468988|7.596177|6.481879|12.408579|36.858105| |1.643722|1.734106|3.492394|2.087537|2.356958|2.481538|2.266626|2.024794|1.953039|3.106870|1.739208|1.545425|2.646245|1.993683|1.326383|1.239157|1.284361|1.318412|61.000142|2.824635|4.892660|0.102773|0.098576|4.335457|0.105981|3.925710|6.422488|7.612133|12.407384|7.589571|6.485713|5.382149|7.593794|12.408350|36.858105| |1.992354|2.164339|4.524467|2.811178|3.300297|3.607928|3.214326|2.759610|2.610077|4.003144|2.220250|1.904652|3.226375|2.419115|1.571818|1.459869|1.507232|1.545913|79.755085|4.221374|8.627407|0.183632|0.181087|7.366183|0.151563|5.892036|12.321539|7.592509|6.461845|5.349295|6.451487|7.569940|7.582031|12.371266|7.585826|36.858105| |17.568154|8.851437|12.915806|4.886269|4.205598|3.222907|2.871393|3.064524|3.858568|6.815198|3.671514|3.654952|7.508456|4.074508|2.699575|2.544036|2.265520|2.937320|83.768453|2.776431|3.508784|0.078899|0.068051|2.217525|0.062545|1.942351|2.145224|1.855994|1.761283|1.898034|2.208319|2.404480|2.141365|1.948619|1.725362|2.079589|0.500000| |17.564665|8.923916|10.189371|4.254755|3.557987|2.872000|2.676974|2.940601|3.682691|6.955754|3.643406|3.910603|8.749071|4.302473|2.929481|2.888183|2.386721|3.180610|83.721877|2.463040|3.052601|0.066607|0.059972|1.949662|0.055054|1.754274|1.858138|1.634932|1.545237|1.638354|1.860662|2.023907|1.811495|1.686531|1.515636|1.805468|0.300462|0.500000| |17.606844|8.901667|12.804023|4.863650|3.826276|3.039334|2.863219|3.231805|4.221606|8.280870|4.734094|5.177906|11.649212|5.467379|3.582109|3.301952|2.845398|4.018128|91.290728|2.547476|3.242600|0.071835|0.064715|2.036764|0.056403|1.825952|1.964855|1.705533|1.621031|1.715046|1.977122|2.136388|1.970047|1.829415|1.615869|1.953940|0.299573|0.301391|0.500000| |8.865645|17.675203|16.424919|7.175987|4.992428|3.932311|3.827690|4.594364|6.589084|13.384441|5.765906|5.672969|12.720383|5.530018|3.417352|3.383363|2.732609|3.368640|122.846880|3.084258|3.674771|0.078913|0.073492|2.248378|0.062602|2.044918|2.073187|1.789031|1.653404|1.713693|1.954761|2.190619|1.924197|1.838228|1.633527|2.030816|0.173508|0.212108|0.214705|0.500000| |8.822157|17.553386|16.500526|7.229046|5.925093|4.355518|3.850292|4.152761|5.418126|8.941292|4.084513|3.811048|7.770666|4.093031|2.623470|2.581329|2.204022|2.647262|106.285556|3.517631|4.067606|0.088274|0.078311|2.494511|0.071253|2.210216|2.282273|1.960815|1.798413|1.890594|2.169192|2.474022|2.074391|1.952485|1.741892|2.166040|0.210998|0.212551|0.173457|0.299238|0.500000| |4.324047|5.530392|13.267816|9.029963|17.702697|8.825489|5.627720|4.968064|5.656344|7.561414|3.686695|3.056642|5.494338|3.491809|2.192010|2.069867|1.948547|2.176858|113.334172|6.961712|7.759986|0.184995|0.136637|4.181629|0.118971|3.349001|3.680050|2.900007|2.553297|2.693706|3.274646|4.126632|3.051431|2.847414|2.440619|3.355189|0.127261|0.101423|0.106480|0.126909|0.166833|0.500000| |2.561891|3.160902|6.516162|4.938498|5.632047|8.871554|17.729972|8.954782|5.640960|7.528120|3.559159|2.821074|4.708073|3.402863|2.103744|2.030057|1.950830|1.944723|222.260627|6.993394|7.516577|0.131599|0.173313|4.123972|0.106136|4.213157|3.250168|2.696241|2.282439|2.176339|2.431130|2.950563|2.418841|2.563849|2.270473|3.199560|0.068719|0.064887|0.068586|0.088642|0.089018|0.123354|0.500000| |3.416602|3.966614|8.215447|5.001152|3.874246|3.640783|4.180063|5.748091|6.818622|16.604398|17.583540|8.718574|10.442539|10.211871|4.752594|4.035860|4.148760|3.918694|197.593051|2.862219|3.730386|0.078699|0.081544|2.254976|0.059145|2.141549|2.113253|1.809948|1.683872|1.683865|1.916741|2.108102|2.009894|2.007698|1.744627|2.232974|0.084951|0.083856|0.104024|0.122840|0.094114|0.091674|0.101399|0.500000| |4.588388|5.285607|12.322345|6.623529|4.698190|3.982502|4.151787|5.329149|7.527543|16.458353|17.585945|8.974645|12.137103|8.802977|4.426469|3.678072|3.680558|4.141470|148.412869|3.085857|4.047784|0.088844|0.086162|2.411332|0.063689|2.206577|2.293846|1.933863|1.810087|1.847628|2.150595|2.366367|2.246700|2.177519|1.864664|2.404291|0.113649|0.105184|0.145752|0.154192|0.116931|0.113216|0.096454|0.299773|0.500000| |3.043861|3.221858|6.117510|3.386634|2.774876|2.592722|2.834445|3.504860|3.999349|9.229322|7.670553|9.508635|10.889131|26.078933|9.005525|6.085410|7.891552|5.922887|126.260952|2.168140|2.866665|0.060619|0.061609|1.807955|0.047928|1.727311|1.733727|1.522716|1.445031|1.454377|1.632907|1.746738|1.716319|1.699486|1.500856|1.830413|0.075445|0.077520|0.096511|0.099819|0.076846|0.069562|0.071757|0.242722|0.174976|0.500000| |2.681049|2.781747|4.767366|2.608515|2.204496|2.080475|2.254152|2.695501|2.984954|6.702832|4.187729|5.650340|9.366193|9.561961|8.788826|17.551328|6.956575|5.488327|100.078714|1.787524|2.303204|0.047964|0.048527|1.490815|0.040319|1.440685|1.417069|1.272999|1.207397|1.217341|1.339811|1.430717|1.376588|1.361290|1.233388|1.457795|0.065328|0.073296|0.082195|0.089284|0.068770|0.056406|0.058360|0.115653|0.098304|0.170391|0.500000| |2.627676|2.590739|4.373783|2.319844|1.986454|1.850962|1.953526|2.270079|2.535970|5.482551|3.432882|4.626547|8.336355|7.604721|8.821718|17.555284|6.926864|6.886908|80.626958|1.615332|2.098343|0.044031|0.043834|1.372441|0.037288|1.317228|1.319565|1.192265|1.141188|1.159518|1.274249|1.346155|1.307672|1.280702|1.164356|1.354462|0.064476|0.073139|0.081772|0.081042|0.064129|0.051899|0.050552|0.091811|0.085758|0.131508|0.301149|0.500000| |3.325684|3.339387|5.456874|2.855262|2.367712|2.168830|2.291198|2.727156|3.159014|7.191203|4.398629|6.587231|13.287479|9.421417|8.778154|17.621575|5.508707|6.866609|94.731657|1.853353|2.368538|0.049795|0.049259|1.528091|0.041662|1.456049|1.454672|1.302276|1.236328|1.259623|1.394209|1.490505|1.420481|1.386317|1.253775|1.481601|0.078476|0.092850|0.104310|0.109576|0.080730|0.061267|0.058268|0.111066|0.105762|0.147717|0.300832|0.301085|0.500000| |2.467505|2.451469|4.534503|2.441664|2.106787|1.977526|2.094273|2.425502|2.676927|5.615741|3.995090|4.829711|7.186618|9.765332|8.761696|5.499167|17.539103|6.940460|85.988377|1.726241|2.326110|0.049337|0.049554|1.511755|0.040238|1.447961|1.481034|1.325113|1.280815|1.295072|1.438378|1.501271|1.520936|1.496857|1.337264|1.569260|0.062959|0.064544|0.078374|0.073094|0.059990|0.054760|0.054246|0.116238|0.105755|0.214911|0.141457|0.141058|0.122814|0.500000| |2.303662|2.268872|4.044517|2.170385|1.886627|1.775794|1.876675|2.157585|2.366488|4.966956|3.311361|4.139825|6.671114|7.718396|8.823888|6.921491|17.586033|6.929825|77.224205|1.563213|2.081434|0.043858|0.043974|1.365848|0.036679|1.314141|1.331467|1.202843|1.161647|1.175816|1.294052|1.351204|1.352035|1.329727|1.202375|1.392832|0.058356|0.061986|0.072278|0.068428|0.056201|0.049347|0.048930|0.093559|0.085813|0.151827|0.171548|0.207555|0.141117|0.301746|0.500000| |2.339409|2.393827|4.347358|2.399739|2.069155|1.974172|2.136824|2.510681|2.716606|5.815762|3.965405|4.818093|7.164163|9.747529|8.758044|6.933176|17.532079|5.501662|93.700802|1.716672|2.279104|0.047701|0.048673|1.481322|0.039530|1.435636|1.430680|1.284963|1.230753|1.235338|1.361787|1.435700|1.427199|1.419116|1.277670|1.504416|0.058979|0.062101|0.072558|0.073188|0.059253|0.053145|0.055865|0.118878|0.098198|0.221734|0.209153|0.171301|0.141354|0.299976|0.302048|0.500000| |3.961729|3.575223|6.033004|2.954369|2.447415|2.171457|2.211993|2.567772|3.061949|6.650674|4.443037|6.597922|13.420990|9.410816|8.774458|6.873128|5.510967|17.624432|83.573581|1.868204|2.443601|0.052526|0.050540|1.575832|0.042843|1.473229|1.532470|1.363476|1.311551|1.354663|1.518615|1.600413|1.560451|1.494406|1.337348|1.572927|0.094761|0.106477|0.137963|0.108788|0.083363|0.064933|0.055558|0.107651|0.120419|0.144365|0.140338|0.170029|0.204859|0.141380|0.141281|0.122791|0.500000| |2.906553|2.695709|4.653923|2.373026|2.033556|1.853660|1.905340|2.177891|2.487036|5.236986|3.457743|4.635057|8.369898|7.613147|8.831471|6.884128|6.948318|17.558095|73.513027|1.625923|2.150926|0.045899|0.044753|1.407236|0.038139|1.330567|1.377156|1.238980|1.199710|1.232374|1.367083|1.425586|1.414390|1.364679|1.230572|1.423593|0.072557|0.079175|0.095125|0.080726|0.065416|0.054079|0.048796|0.089991|0.093087|0.129410|0.140776|0.206244|0.169533|0.171745|0.208361|0.141351|0.301284|0.500000| |3.257573|3.019601|5.452648|2.744213|2.319406|2.088645|2.136691|2.457729|2.859031|6.024944|4.269136|5.686617|9.474401|9.588604|8.791938|5.488424|6.961987|17.550677|81.077119|1.813167|2.426021|0.052331|0.050717|1.569387|0.042212|1.471002|1.545451|1.374495|1.332841|1.372169|1.541119|1.605909|1.611825|1.547878|1.376894|1.614520|0.082001|0.084691|0.110436|0.088769|0.071644|0.061490|0.054123|0.109854|0.120563|0.162828|0.122901|0.140725|0.140339|0.209346|0.171607|0.141491|0.300633|0.301151|0.500000| |2.435653|2.920151|5.929929|4.194295|5.635897|8.840164|7.166052|4.728725|3.962364|5.530626|2.713390|2.271105|3.929127|2.753101|1.757312|1.697704|1.629531|1.680648|122.079876|17.666621|12.344793|0.181553|0.218975|6.864034|0.191656|6.553442|4.478241|3.624040|2.858328|2.717528|3.016676|3.965861|2.815614|2.969220|2.683409|3.858658|0.067984|0.062066|0.063477|0.077584|0.086346|0.142001|0.214715|0.074197|0.076944|0.056909|0.047869|0.043039|0.049071|0.045557|0.041567|0.045845|0.048488|0.042669|0.047056|0.500000| |2.796552|3.347384|6.872034|4.705161|7.086000|8.827560|5.671778|4.216270|3.961441|5.532754|2.727578|2.313005|4.084633|2.765503|1.774287|1.705981|1.625257|1.731652|104.978790|17.634613|12.425737|0.224502|0.181390|6.854679|0.222851|5.173027|4.837818|3.781129|3.033214|3.051400|3.518807|4.884310|3.119201|3.095433|2.763397|3.903656|0.080352|0.070484|0.071152|0.084913|0.102038|0.209828|0.143566|0.072184|0.079486|0.056281|0.047390|0.043346|0.049766|0.045543|0.041587|0.045099|0.050575|0.043892|0.048651|0.301439|0.500000| |1.933265|2.208486|4.419546|2.926323|3.568321|4.617992|4.320438|3.302443|2.843826|4.235563|2.187330|1.872953|3.210073|2.342374|1.519892|1.461854|1.441308|1.457513|96.460984|6.568820|9.801042|0.145924|0.197460|8.771649|0.211502|17.576056|5.364587|4.714000|3.442339|3.012276|3.153856|4.045416|2.975228|3.383374|3.212012|4.564477|0.054393|0.049789|0.051381|0.059118|0.063825|0.094828|0.137008|0.061268|0.062263|0.048976|0.041304|0.037492|0.041667|0.040604|0.037039|0.040675|0.041505|0.037395|0.041105|0.235721|0.154394|0.500000| |1.744651|1.940135|3.853002|2.455180|2.927203|3.481074|3.198571|2.609763|2.347784|3.592531|1.899038|1.656152|2.849855|2.093747|1.375622|1.318204|1.313616|1.333596|77.846508|4.627374|7.609558|0.126723|0.148023|8.853020|0.215723|17.641209|6.512777|6.925241|4.513973|3.645122|3.573708|4.472180|3.297283|3.894956|3.991359|5.146391|0.049692|0.045112|0.046546|0.051534|0.055856|0.080993|0.096047|0.053052|0.054623|0.043706|0.037032|0.034080|0.037445|0.037194|0.033979|0.036879|0.037889|0.034430|0.037811|0.141814|0.120819|0.304802|0.500000| |1.842512|2.065044|4.197880|2.728325|3.229952|3.962252|3.775716|3.036438|2.663513|4.032461|2.152518|1.838540|3.112681|2.330995|1.512158|1.434990|1.450841|1.453885|90.694688|5.037314|9.247036|0.148134|0.213855|8.740194|0.173079|17.575701|6.630466|5.722358|4.139309|3.391737|3.547695|4.400336|3.540040|4.410891|4.125179|6.506795|0.052081|0.047145|0.049722|0.055207|0.058409|0.086344|0.115864|0.061075|0.062116|0.049205|0.040459|0.036883|0.040524|0.041307|0.037241|0.040899|0.041060|0.037306|0.041425|0.150982|0.119760|0.301211|0.302110|0.500000| |1.664051|1.802787|3.598656|2.219772|2.591756|2.885683|2.619573|2.237896|2.089721|3.257420|1.767786|1.557780|2.679910|1.987046|1.315098|1.247145|1.263422|1.290978|66.993551|3.568317|6.230609|0.117558|0.121487|6.878591|0.164989|7.076342|8.756447|17.565358|8.872652|5.524996|4.854073|5.512586|4.462152|5.752712|6.995209|6.924167|0.048042|0.042891|0.044763|0.047431|0.051292|0.073748|0.075276|0.049254|0.051699|0.041467|0.034761|0.032418|0.035276|0.036094|0.032797|0.035204|0.036573|0.033427|0.036956|0.099006|0.096680|0.142045|0.238808|0.188343|0.500000| |1.756459|1.896260|3.754576|2.289227|2.720615|2.954981|2.581470|2.204860|2.099379|3.262236|1.752835|1.556142|2.711698|1.966074|1.305762|1.243511|1.242239|1.292409|64.582236|3.746409|6.248388|0.121853|0.112198|7.021588|0.207041|5.846575|8.764511|17.505020|8.790202|6.893854|5.709219|6.925867|4.443317|4.844493|5.513785|5.501921|0.051313|0.045374|0.046660|0.049261|0.054737|0.080119|0.072485|0.048075|0.051438|0.040613|0.034476|0.032354|0.035434|0.035355|0.032327|0.034422|0.036919|0.033480|0.036894|0.101268|0.108718|0.128704|0.189046|0.137603|0.302721|0.500000| |1.533142|1.616308|3.184339|1.896117|2.156274|2.273459|2.060791|1.830560|1.765746|2.815217|1.550561|1.394835|2.418547|1.791653|1.202142|1.137421|1.158080|1.196818|55.278657|2.655850|4.356613|0.088981|0.084191|4.087934|0.109098|3.773727|5.493055|8.884447|17.556860|8.826296|5.525850|4.876615|4.852354|5.517907|8.822957|4.855642|0.044800|0.039735|0.041370|0.042260|0.045834|0.062821|0.057684|0.042856|0.045659|0.037166|0.031459|0.029800|0.032147|0.033198|0.030291|0.032016|0.033915|0.031197|0.034412|0.071534|0.074775|0.087162|0.115994|0.102048|0.216368|0.214387|0.500000| |1.672893|1.726656|3.418029|1.979675|2.230816|2.247014|2.000213|1.813576|1.802680|2.893843|1.612956|1.461539|2.548944|1.872700|1.260376|1.182719|1.208296|1.273872|53.927635|2.534240|4.110994|0.089688|0.078345|3.514810|0.095552|2.992337|4.798500|5.503828|8.808021|17.544401|8.813196|5.515859|6.911287|5.719477|6.917846|4.435308|0.049772|0.043099|0.045219|0.044505|0.048676|0.066718|0.054384|0.044039|0.048265|0.038587|0.032394|0.031034|0.033498|0.034817|0.031644|0.033064|0.036246|0.033179|0.036900|0.065616|0.072741|0.071928|0.085223|0.080940|0.123635|0.141029|0.212260|0.500000| |1.761277|1.840429|3.625180|2.119907|2.449489|2.487706|2.167327|1.929268|1.908607|3.026061|1.656314|1.495584|2.626412|1.896317|1.272235|1.203431|1.209473|1.281453|56.550425|2.913898|4.675932|0.100650|0.085530|4.216508|0.122040|3.443613|5.655656|6.889053|8.792294|17.523510|8.795307|6.921298|5.502464|4.837591|5.503761|4.428322|0.052511|0.045486|0.046935|0.047193|0.052736|0.074398|0.058961|0.044937|0.049296|0.038899|0.033016|0.031493|0.034303|0.034606|0.031639|0.033162|0.036697|0.033315|0.036844|0.075390|0.086347|0.082555|0.099959|0.088562|0.141344|0.205926|0.212985|0.303356|0.500000| |2.129614|2.192908|4.445525|2.538266|2.922810|2.818763|2.402554|2.175621|2.218423|3.507811|1.950044|1.749599|3.069661|2.202860|1.466737|1.366795|1.384634|1.495024|62.179448|3.144198|5.141873|0.121774|0.094116|4.070569|0.112328|3.155278|5.484075|4.860711|5.524939|8.820679|17.555269|8.874238|8.817802|5.515118|4.852930|4.848563|0.064860|0.053862|0.057051|0.055156|0.061864|0.091365|0.063257|0.052295|0.059551|0.045028|0.037163|0.035614|0.039010|0.039937|0.036032|0.037610|0.042983|0.038554|0.043463|0.077249|0.092540|0.077283|0.084763|0.083676|0.106972|0.127896|0.123527|0.212300|0.213032|0.500000| |2.221704|2.393861|4.851236|2.910119|3.601909|3.661315|2.968722|2.545075|2.519885|3.850501|2.062239|1.818907|3.200160|2.256349|1.486916|1.405380|1.392443|1.490101|70.791411|4.599646|7.705691|0.175485|0.126056|6.967345|0.221187|4.598247|8.766436|6.947069|5.751786|6.946379|8.799860|17.513638|5.513140|4.848102|4.458141|5.495333|0.066642|0.056387|0.058216|0.060282|0.069594|0.114287|0.078865|0.055282|0.061888|0.046120|0.038565|0.036374|0.040392|0.039701|0.036081|0.038193|0.043054|0.038284|0.042708|0.110967|0.144618|0.110549|0.122593|0.111251|0.141426|0.207998|0.128792|0.141751|0.208160|0.214058|0.500000| |2.544026|2.757164|5.883256|3.548828|4.458186|4.372192|3.457582|2.980197|2.999451|4.507613|2.449040|2.111998|3.673489|2.602842|1.689181|1.572229|1.576843|1.694468|80.417699|5.140884|9.551048|0.273286|0.157962|6.760488|0.176924|4.434121|8.654151|5.485423|4.850180|5.538963|8.901803|17.455884|6.969062|5.707369|4.443935|6.823792|0.076609|0.062944|0.067424|0.068723|0.078196|0.142494|0.088937|0.065452|0.075394|0.053397|0.043006|0.040396|0.045091|0.045315|0.040503|0.043101|0.048919|0.043082|0.049035|0.115974|0.150036|0.107693|0.109541|0.114560|0.122263|0.140764|0.106965|0.123909|0.142081|0.218173|0.302790|0.500000| |1.863660|1.914465|3.900396|2.246766|2.490415|2.467014|2.210459|2.035677|2.045751|3.288927|1.877840|1.681865|2.893448|2.164439|1.442956|1.329758|1.389032|1.462755|60.174788|2.666038|4.473145|0.102303|0.088495|3.499584|0.089423|2.948463|4.810580|4.449947|5.726149|6.910957|8.810757|5.514857|17.547440|8.812178|6.918637|5.505860|0.055456|0.047199|0.051268|0.049268|0.052739|0.073617|0.059226|0.051503|0.057332|0.044907|0.036298|0.034739|0.037435|0.040529|0.036125|0.037849|0.041375|0.037815|0.042969|0.067415|0.073946|0.071259|0.079121|0.083549|0.106321|0.105810|0.127743|0.207083|0.141264|0.212318|0.123273|0.142433|0.500000| |2.205334|2.294257|4.840216|2.810962|3.163685|3.088024|2.704113|2.475492|2.509185|3.957637|2.264908|1.983332|3.390772|2.520091|1.651335|1.508963|1.574916|1.670277|70.914251|3.286398|5.744932|0.140909|0.113603|4.170327|0.103487|3.332665|5.685085|4.447858|4.845288|5.500945|8.784760|6.911493|17.508308|8.783385|5.503798|6.902997|0.065850|0.054812|0.060715|0.058446|0.062688|0.093985|0.070970|0.061785|0.070513|0.052332|0.041133|0.039060|0.042600|0.046067|0.040559|0.042849|0.047424|0.042676|0.049254|0.080197|0.089819|0.080850|0.085344|0.094580|0.106061|0.105786|0.106686|0.141252|0.123008|0.212960|0.141228|0.208842|0.303587|0.500000| |1.796778|1.894542|3.906654|2.336610|2.589347|2.696095|2.497764|2.270175|2.202410|3.509030|2.009530|1.760775|2.969394|2.283883|1.503279|1.382204|1.463473|1.492054|68.277127|2.920526|5.161031|0.112770|0.109995|4.033424|0.095050|3.619536|5.499228|4.866356|5.517118|4.847856|5.515893|4.860567|8.821479|17.555152|8.820915|8.870817|0.052170|0.045439|0.049809|0.049675|0.051831|0.073152|0.068577|0.056530|0.060768|0.048217|0.038169|0.035905|0.038602|0.042807|0.037767|0.040381|0.041760|0.038411|0.043771|0.075414|0.076823|0.084963|0.094527|0.111195|0.128749|0.106850|0.123466|0.127799|0.106613|0.123426|0.106857|0.127806|0.212764|0.212691|0.500000| |1.558545|1.653294|3.315182|1.998841|2.243947|2.403934|2.238497|1.995799|1.899365|3.028170|1.693037|1.503002|2.563293|1.947916|1.296195|1.214207|1.261350|1.279771|61.072828|2.735630|4.696907|0.095481|0.097103|4.183329|0.100828|4.086796|5.686719|6.929820|8.788596|5.505194|4.845901|4.451139|5.505850|8.789059|17.522430|6.909885|0.045059|0.040061|0.042647|0.043627|0.046102|0.063545|0.063269|0.047567|0.049999|0.040917|0.033726|0.031701|0.034032|0.036436|0.032803|0.035029|0.035931|0.033227|0.037036|0.073760|0.073208|0.092317|0.117537|0.123998|0.209949|0.141565|0.213163|0.141388|0.123036|0.106700|0.106089|0.105580|0.141364|0.122996|0.212823|0.500000| |1.561658|1.628521|3.255387|1.919408|2.133382|2.210202|2.033244|1.846142|1.798647|2.895849|1.633320|1.466078|2.514917|1.902229|1.274377|1.189049|1.238505|1.273244|56.144813|2.461851|4.121113|0.087471|0.083153|3.504498|0.088397|3.208500|4.812032|5.516546|8.803231|6.920782|5.733571|4.455921|6.923841|8.815239|17.544519|5.507926|0.045625|0.040132|0.042813|0.042646|0.045289|0.061525|0.056300|0.045467|0.048671|0.039730|0.032794|0.031159|0.033356|0.035897|0.032327|0.034132|0.035812|0.033135|0.037025|0.064985|0.067425|0.075423|0.090818|0.093030|0.142570|0.123197|0.212159|0.207505|0.141363|0.127891|0.106174|0.106090|0.207519|0.141383|0.212767|0.303441|0.500000| 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