Version2.1 2020-12-18T13:03:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCCCN([C@H](c1ccc(cc1)O)C(=O)NC(C)(C)CC(C)(C)C)C(=O)c2ccco2 C36512948 RHF 6-31G(d) (6D,7F) CCCCCCN([C@H](c1ccc(cc1)O)C(=O)NC(C)(C)CC(C)(C)C)C(=O)c2ccco2 C01[X(C27H40N2O4)] 213 C1 575 CCCCCCN(C(=O)c1ccco1)[C@@H](C(=O)NC(CC(C)(C)C)(C)C)c1ccc(cc1)O CCCCCCN(C(=O)c1ccco1)[C@@H](C(=O)NC(CC(C)(C)C)(C)C)c1ccc(cc1)O CCCCCCN([C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(O)cc1)C(=O)c2occc2 InChIKey=VXONYTCNJKUDIV-HSZRJFAPSA-N InChI=1S/C27H40N2O4/c1-7-8-9-10-17-29(25(32)22-12-11-18-33-22)23(20-13-15-21(30)16-14-20)24(31)28-27(5,6)19-26(2,3)4/h11-16,18,23,30H,7-10,17,19H2,1-6H3,(H,28,31)/t23-/m1/s1 InChI=1/C27H40N2O4/c1-7-8-9-10-17-29(25(32)22-12-11-18-33-22)23(20-13-15-21(30)16-14-20)24(31)28-27(5,6)19-26(2,3)4/h11-16,18,23,30H,7-10,17,19H2,1-6H3,(H,28,31)/t23-/m1/s1/f/h28H CCCCCCN([C@H](c1ccc(cc1)O)C(=O)NC(C)(C)CC(C)(C)C)C(=O)c2ccco2 C01[X(C27H40N2O4)] 213 C01 575 CCCCCCN(C(=O)c1ccco1)[C@@H](C(=O)NC(CC(C)(C)C)(C)C)c1ccc(cc1)O CCCCCCN([C@H]([C]1[CH][CH][C]([CH][CH]1)O)[C]([NH]C(CC(C)(C)C)(C)C)=O)C(=O)C1=[CH][CH]=CO1 CCCCCCN([C@H]([C]1[CH][CH][C](O)[CH][CH]1)C(=O)NC(C)(C)CC(C)(C)C)C(=O)c2occc2 InChIKey=VXONYTCNJKUDIV-HSZRJFAPSA-N InChI=1S/C27H40N2O4/c1-7-8-9-10-17-29(25(32)22-12-11-18-33-22)23(20-13-15-21(30)16-14-20)24(31)28-27(5,6)19-26(2,3)4/h11-16,18,23,30H,7-10,17,19H2,1-6H3,(H,28,31)/t23-/m1/s1 InChI=1/C27H40N2O4/c1-7-8-9-10-17-29(25(32)22-12-11-18-33-22)23(20-13-15-21(30)16-14-20)24(31)28-27(5,6)19-26(2,3)4/h11-16,18,23,30H,7-10,17,19H2,1-6H3,(H,28,31)/t23-/m1/s1/f/h28H 3598.0571328589 -1454.0783622 1-A 18760.7225 124 451 575 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.64432 -20.59681 -20.52637 -20.50465 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11.63277
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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 13.4273 15.8462 20.0325 23.2906 33.5227 39.1121 42.6899 45.5162 51.1627 57.6597 78.1562 82.3632 88.3765 109.7172 135.0437 140.1956 145.2064 158.2311 160.9757 170.5667 200.8145 208.2095 211.4097 226.7197 247.3400 258.2742 260.6259 263.6116 270.0479 288.3039 299.1983 322.5924 323.9504 326.8002 333.8322 341.3544 345.7993 366.3796 374.4163 384.1902 397.5423 409.3991 438.3164 443.6424 450.8414 458.7562 460.7964 467.6262 484.1543 490.1122 515.3966 522.7220 547.1391 585.7115 607.3654 611.2544 643.0048 656.5417 680.2760 695.7357 707.1775 782.6008 789.6148 795.8022 800.5843 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11460.0619 24651.6391 28420.0143 0.99980 0.01876 -0.00651 -0.01882 0.99978 -0.00886 0.00634 0.00898 0.99994 1 0.00756 0.00351 0.00305 0.15748 0.07321 0.06350 19.32 22.80 28.82 33.51 48.23 56.27 61.42 65.49 73.61 82.96 112.45 118.50 127.15 157.86 194.30 201.71 208.92 227.66 231.61 245.41 288.93 299.57 304.17 326.20 355.87 371.60 374.98 379.28 388.54 414.81 430.48 464.14 466.09 470.19 480.31 491.13 497.53 527.14 538.70 552.76 571.97 589.03 630.64 638.30 648.66 660.05 662.98 672.81 696.59 705.16 741.54 752.08 787.21 842.71 873.86 879.46 925.14 944.62 978.77 1001.01 1017.47 1125.99 1136.08 1144.98 1151.86 1154.20 1202.05 1221.03 1246.05 1254.30 1278.53 1294.00 1324.55 1343.35 1355.49 1373.85 1384.85 1390.34 1399.06 1403.31 1417.92 1446.61 1452.12 1469.19 1478.76 1481.83 1509.63 1522.67 1530.60 1550.56 1554.80 1571.42 1573.48 1587.81 1593.14 1600.53 1610.43 1613.92 1621.17 1627.79 1645.22 1658.30 1682.50 1729.09 1737.08 1767.79 1780.38 1792.40 1822.10 1857.14 1859.37 1878.57 1889.25 1907.66 1917.45 1942.41 1957.22 1968.18 1974.20 1981.03 1986.11 1986.63 2011.69 2026.32 2031.27 2052.27 2073.27 2081.02 2090.70 2097.34 2103.53 2135.13 2138.00 2186.15 2190.88 2205.81 2235.77 2238.27 2240.96 2243.32 2245.94 2254.79 2265.01 2270.07 2286.65 2295.56 2324.02 2334.07 2344.91 2350.83 2352.54 2352.76 2356.89 2360.23 2361.59 2365.61 2367.38 2373.18 2377.23 2384.37 2389.93 2392.58 2397.94 2406.65 2409.14 2425.02 2444.75 2479.14 2576.56 2591.45 2623.61 2705.51 2767.51 4572.61 4576.44 4585.66 4590.96 4593.86 4597.55 4599.40 4601.02 4607.25 4614.79 4616.97 4617.53 4638.47 4645.46 4650.24 4669.23 4669.41 4675.20 4686.74 4687.89 4690.90 4692.27 4693.91 4698.25 4708.02 4732.64 4745.31 4769.22 4781.44 4794.15 4814.66 4823.57 4829.16 4883.85 4950.87 4956.95 4994.54 5010.32 5649.93 5921.37 0.682340 0.715898 0.716842 0.613093 -1453.396022 -1453.362464 -1453.361520 -1453.465269 3.479759D-04
MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE CCCCCCN([C@H](c1ccc(cc1)O)C(=O)NC(C)(C)CC(C)(C)C)C(=O)c2ccco2 C36512948 RHF 6-31G(d) (6D,10F) C1 456.298808 |X|Y|Z| 65.520315 48.182389 110.210077
70.333442 14 6 7 8 12 1 1
|36.858105| |12.465114|36.858105| |7.470665|12.453594|36.858105| |4.859319|7.454306|12.453759|36.858105| |3.733630|4.856727|7.463822|12.453547|36.858105| |2.966768|3.741877|4.874811|7.513379|12.482684|36.858105| |2.508175|2.990222|3.775785|4.951525|7.639359|12.992484|53.358707| |2.338239|2.723079|3.369594|4.160773|5.867776|7.680294|17.724200|36.858105| |2.527157|2.985240|3.714180|4.668028|6.422443|7.968034|12.783818|17.621088|0.500000| |2.261447|2.545752|3.158036|3.610388|4.955921|5.304442|10.262421|12.491713|0.253268|36.858105| |2.222322|2.455582|2.990639|3.281899|4.194230|4.215709|6.972451|7.613729|0.208208|13.653228|36.858105| |2.087194|2.240195|2.682030|2.813095|3.447766|3.333401|5.301709|5.018471|0.135736|7.843286|13.805619|36.858105| |2.001214|2.125089|2.541788|2.634188|3.237169|3.109638|5.022859|4.402756|0.112830|6.793862|7.971846|13.730335|36.858105| |2.030001|2.182306|2.642419|2.793684|3.550460|3.473389|5.911381|4.951635|0.118531|7.882042|6.932494|7.955106|13.763166|36.858105| |2.151981|2.378204|2.932563|3.247887|4.374366|4.504282|8.547857|7.379598|0.158260|13.728136|8.011482|6.880890|7.925081|13.735139|36.858105| |1.854318|1.928521|2.256988|2.282702|2.698955|2.567739|3.995673|3.356518|0.088219|4.585929|5.282830|8.128870|14.103474|7.935228|5.210095|73.516695| |2.017664|2.324224|2.737090|3.320828|4.182515|5.537993|10.528128|12.291690|0.256746|7.226292|5.652969|4.108611|3.636635|3.963016|5.297209|5.171851|36.858105| |2.009245|2.343199|2.705691|3.356009|4.035518|5.615824|9.258596|8.081928|0.206942|5.134070|4.309610|3.317687|2.976946|3.205390|4.076655|4.387106|15.815677|73.516695| |1.806659|2.033429|2.357270|2.740927|3.345367|4.052121|7.267563|7.709721|0.174166|6.599578|5.662936|4.330613|3.842955|4.095953|5.175001|5.497020|14.217685|14.982673|53.358707| |1.602950|1.787264|2.019982|2.314992|2.703721|3.214661|5.342009|4.901581|0.121169|4.387463|4.059313|3.398591|3.094193|3.228271|3.784385|4.668593|7.606905|11.659343|17.583050|36.858105| |1.588941|1.773392|1.974659|2.258551|2.558684|3.006326|4.676646|4.239920|0.114411|3.721289|3.664013|3.082181|2.723129|2.742452|3.134395|4.191661|6.160886|10.861609|10.605195|12.384752|36.858105| |1.538814|1.721104|1.928674|2.226232|2.571642|3.122172|5.139530|4.250250|0.103895|3.681098|3.267426|2.800087|2.650036|2.852251|3.354952|4.067636|6.271167|11.117493|10.461318|12.413758|7.615028|36.858105| |1.476671|1.618829|1.819678|2.030360|2.349424|2.668866|4.362456|3.917276|0.098119|3.918339|3.818847|3.428128|3.183611|3.239264|3.568293|4.929081|5.085838|7.730664|10.606882|12.269390|7.688608|7.356671|36.858105| |1.406674|1.528935|1.719903|1.896630|2.201053|2.460452|4.055573|3.478826|0.085249|3.653471|3.468338|3.271672|3.233504|3.383317|3.605009|5.105081|4.159083|6.337854|7.817080|6.911411|4.791032|5.838414|12.230601|36.858105| |1.507327|1.639773|1.872504|2.065007|2.455197|2.731466|4.677763|3.991238|0.093695|4.440560|3.989310|3.789903|3.949748|4.394755|4.712403|6.046539|4.486468|6.527651|8.153967|5.806690|4.044062|5.125549|7.346535|12.399985|36.858105| |1.320226|1.417677|1.582809|1.713810|1.960389|2.129572|3.408209|2.904391|0.073491|3.152518|3.160820|3.149035|3.129892|3.125408|3.139395|5.169335|3.283916|5.100845|5.785678|4.802165|3.893858|4.057810|7.711687|12.360464|7.651294|36.858105| |1.307129|1.419644|1.579741|1.743099|1.992777|2.241001|3.623341|2.951653|0.072994|2.977520|2.776562|2.619309|2.624865|2.792038|2.986531|4.230096|3.523735|5.694162|6.049852|5.544992|4.124413|5.835130|7.401195|12.377969|7.601865|7.679270|36.858105| |2.220843|2.589359|3.148724|3.922501|5.364401|7.642092|19.162958|7.930530|0.163338|5.928665|4.171931|3.395284|3.386765|4.141579|5.849992|4.901754|6.608379|10.670339|6.885975|3.918868|3.277517|4.048250|3.230082|3.125787|3.697797|2.567375|2.876867|36.858105| |1.965236|2.241259|2.662135|3.179104|4.115927|5.326099|11.573739|7.132150|0.143521|5.900621|4.174397|3.456697|3.504358|4.349755|6.115818|5.069991|7.048172|10.625419|8.135485|4.620221|3.595505|4.909258|3.804320|3.787338|4.674291|2.980130|3.480823|15.765649|73.516695| |2.237455|2.610182|3.119261|3.847218|4.904088|6.382779|10.488282|5.022514|0.117846|4.185564|3.224108|2.767804|2.818884|3.392175|4.347902|4.245280|4.440475|7.785308|4.983223|3.078731|2.671678|3.288641|2.629983|2.599801|3.009387|2.192416|2.483253|12.819315|14.710628|36.858105| |1.974949|2.259442|2.603678|3.089617|3.665959|4.477103|6.969735|3.863760|0.092878|3.366903|2.705154|2.389894|2.460490|2.923599|3.559116|3.799110|3.695231|6.612708|4.376819|2.848424|2.468062|3.169192|2.474799|2.498628|2.859639|2.107561|2.471229|7.512354|11.795445|14.179075|36.858105| |2.024430|2.305296|2.612539|3.036472|3.434173|3.925857|5.565154|3.168509|0.079356|2.838573|2.358491|2.124365|2.193988|2.562030|3.001061|3.453545|2.971246|5.361470|3.565989|2.355478|2.102028|2.569388|2.089328|2.108523|2.375826|1.826725|2.090573|5.179803|8.027976|8.578863|13.289640|36.858105| |2.350863|2.720802|3.143967|3.698159|4.182272|4.604264|6.117138|3.355308|0.085531|3.000246|2.491334|2.233535|2.295767|2.673460|3.145382|3.596339|2.999151|5.381776|3.531716|2.284699|2.066951|2.418796|2.024876|2.017873|2.275856|1.766646|1.959993|5.305584|7.632609|8.796021|8.621320|14.200876|36.858105| |2.552253|3.021325|3.666659|4.554292|5.676946|6.603823|8.816589|4.345126|0.108705|3.753599|3.001754|2.618844|2.666543|3.150087|3.882124|4.072059|3.678129|6.503549|4.175437|2.605758|2.338852|2.709765|2.271452|2.235269|2.550983|1.938232|2.125968|7.653106|9.643115|14.094174|8.623513|8.622716|14.228926|73.516695| |17.536030|8.774042|6.768790|4.492863|3.620715|2.868946|3.359290|2.355441|0.071308|2.315124|2.321263|2.200377|2.092313|2.088682|2.189689|3.463810|2.024440|3.550549|2.485430|1.616271|1.607471|1.535094|1.497777|1.423608|1.523820|1.344227|1.314010|2.167194|3.439715|2.142129|1.887334|1.908517|2.190428|4.267633|0.500000| |17.534969|8.773504|6.768767|4.492729|3.621511|2.869122|3.355879|2.273982|0.067096|2.226717|2.167236|2.056050|2.005055|2.052701|2.161004|3.320057|1.955407|3.438153|2.395390|1.560874|1.531655|1.505161|1.445431|1.389839|1.499554|1.305209|1.294493|2.215387|3.487388|2.262643|2.005590|2.079822|2.433741|4.645427|0.301725|0.500000| |17.547853|8.770940|5.453142|4.034892|3.162928|2.625647|3.049944|2.100075|0.062835|2.021378|1.992860|1.878208|1.801078|1.822064|1.925017|2.988822|1.848459|3.299933|2.266402|1.494710|1.491044|1.441770|1.379701|1.313777|1.397297|1.236555|1.227998|2.009932|3.190309|2.035012|1.822505|1.876566|2.153729|4.088198|0.301687|0.301672|0.500000| |8.861566|17.510787|8.858234|6.855757|4.529366|3.659359|3.965861|2.711007|0.084182|2.500276|2.445394|2.213113|2.065423|2.097313|2.290967|3.329510|2.349299|4.257971|2.792161|1.812565|1.824909|1.737754|1.634146|1.527440|1.621637|1.417502|1.416908|2.501189|3.878013|2.478928|2.154920|2.169736|2.513150|4.972925|0.210687|0.172947|0.212758|0.500000| |8.861226|17.509267|8.857833|6.855378|4.530846|3.659725|3.960264|2.589677|0.077524|2.390690|2.268375|2.067384|1.981904|2.061111|2.258371|3.202075|2.244010|4.069375|2.667143|1.735983|1.716910|1.694997|1.567294|1.486241|1.592681|1.372284|1.392697|2.575504|3.946160|2.669688|2.334699|2.429795|2.898390|5.595934|0.172949|0.210661|0.212758|0.304018|0.500000| |6.874441|8.859000|17.498907|8.858251|6.870724|4.544521|5.010521|3.219506|0.095041|3.097806|2.886493|2.637936|2.570077|2.717166|2.985992|4.082031|2.607906|4.529719|3.091799|1.948471|1.877121|1.873438|1.771183|1.697929|1.868358|1.564260|1.564707|3.165908|4.757400|3.220324|2.695233|2.753777|3.380304|6.934593|0.169135|0.203910|0.140446|0.173730|0.211710|0.500000| |6.875691|8.860136|17.499125|8.857294|6.864128|4.543216|5.021310|3.461839|0.108183|3.347914|3.280684|2.962858|2.760454|2.801591|3.062342|4.356334|2.777256|4.794015|3.291287|2.058592|2.020908|1.931570|1.869366|1.760084|1.915498|1.632197|1.599215|3.030520|4.638977|2.900353|2.428374|2.390895|2.807904|5.841601|0.203951|0.169167|0.140462|0.211732|0.173735|0.303930|0.500000| |4.533549|6.858834|8.860133|17.495339|8.845565|6.909259|6.297770|4.119379|0.134704|3.484823|3.258395|2.760439|2.523304|2.621954|3.036039|3.897094|3.396137|6.249129|3.791998|2.371196|2.368434|2.262976|2.061125|1.893998|2.029358|1.713678|1.738219|3.635354|5.360452|3.460683|2.837481|2.745177|3.221461|6.896339|0.119608|0.111235|0.108553|0.206997|0.171065|0.173721|0.211736|0.500000| |4.533658|6.859720|8.859697|17.496014|8.855377|6.911605|6.274976|3.726891|0.111517|3.204647|2.870743|2.491632|2.375064|2.551941|2.961034|3.696510|3.099068|5.694202|3.495026|2.206861|2.145393|2.170803|1.931465|1.816988|1.973316|1.635376|1.694006|3.875570|5.544709|4.046732|3.291523|3.340086|4.186865|8.937262|0.111241|0.119597|0.108560|0.171116|0.207017|0.211703|0.173709|0.303831|0.500000| |3.639608|4.516347|6.823312|8.827748|17.549735|8.909824|9.493919|5.182799|0.144360|4.739190|3.921728|3.354669|3.295343|3.739254|4.563819|4.915963|3.770551|6.349374|4.245782|2.543749|2.360174|2.450094|2.251026|2.158623|2.449603|1.927538|1.965819|5.478736|7.437245|5.355342|3.950655|3.787679|4.810178|11.952204|0.097004|0.102451|0.085315|0.111664|0.120136|0.205901|0.170215|0.173349|0.211440|0.500000| |3.649236|4.527480|6.856708|8.846156|17.514786|8.856286|9.531777|6.409743|0.209101|5.815102|5.137888|4.119065|3.733113|3.972348|4.851655|5.425301|4.333699|7.125071|4.803182|2.799889|2.662606|2.579837|2.460595|2.288470|2.556387|2.057626|2.033329|4.842065|6.992657|4.168455|3.222266|2.974083|3.477052|8.017959|0.102717|0.097313|0.085483|0.120278|0.111898|0.171284|0.206938|0.211135|0.173578|0.303779|0.500000| |2.880329|3.647633|4.529160|6.864860|8.808597|17.587446|12.555716|7.439043|0.249088|4.928912|4.162323|3.244098|2.930450|3.159153|3.986990|4.337359|5.926478|11.555540|5.729831|3.376420|3.285402|3.233676|2.743376|2.457935|2.654230|2.131266|2.234017|6.024042|8.291511|4.988412|3.809850|3.357929|3.776322|8.783145|0.078077|0.075635|0.071771|0.103577|0.098108|0.111933|0.120258|0.207309|0.171617|0.173806|0.210088|0.500000| |2.883129|3.650538|4.537869|6.876458|8.868673|17.700816|12.429190|5.689659|0.156042|4.234932|3.444517|2.838708|2.712840|3.047729|3.834295|4.075983|4.676573|8.868139|4.843048|2.949160|2.758407|2.980866|2.460629|2.298730|2.535804|1.988329|2.143710|7.360466|9.032768|7.476483|5.180721|4.662864|5.670721|14.901731|0.075708|0.078184|0.071815|0.098111|0.103645|0.120615|0.112116|0.171454|0.207563|0.213214|0.173967|0.306274|0.500000| |2.247072|2.500158|3.002449|3.322828|4.096663|4.169921|6.493543|7.139761|0.228345|8.899757|17.691638|9.001025|5.673796|4.980922|5.673158|7.596777|5.745793|8.065967|7.644931|4.130961|3.974681|3.260116|3.786282|3.276716|3.562453|3.004799|2.652974|3.810043|6.674559|2.992179|2.529257|2.222071|2.348368|4.992663|0.065526|0.059957|0.056264|0.070531|0.063763|0.078441|0.092219|0.094913|0.080065|0.102099|0.140033|0.120939|0.094234|0.500000| |2.015549|2.135075|2.506135|2.581511|3.044119|2.920024|4.460307|4.100185|0.115651|5.595931|8.884880|17.737624|8.945001|5.662504|4.957722|13.261879|3.536294|5.256663|5.104849|3.090329|2.907261|2.546429|3.174303|2.996470|3.321478|2.986220|2.422507|2.880316|5.191394|2.410447|2.113622|1.903788|1.998353|4.099592|0.059620|0.054844|0.050707|0.059101|0.054469|0.067918|0.077609|0.071354|0.063598|0.081529|0.100274|0.080517|0.070026|0.215904|0.500000| |1.925992|2.048045|2.449285|2.555788|3.173315|3.094135|5.143721|4.041121|0.097780|5.626117|4.980370|5.647521|8.910470|17.686087|8.921909|12.718873|3.379240|5.017658|4.753221|2.874533|2.446079|2.621055|2.922405|3.156987|4.125734|2.953221|2.682345|3.786165|7.126846|3.256002|2.883072|2.560201|2.648202|5.413978|0.054736|0.054681|0.048229|0.054264|0.054210|0.071096|0.071214|0.066082|0.065978|0.095150|0.095511|0.077647|0.077673|0.107956|0.124339|0.500000| |2.115270|2.350982|2.886855|3.243229|4.380249|4.677284|9.271467|6.758810|0.141611|8.905918|5.670454|4.962944|5.667732|8.998368|17.797341|7.503685|5.111026|7.240794|6.586362|3.655336|2.986051|3.421860|3.386209|3.502860|4.641185|2.982651|3.015610|7.309798|13.945065|5.368864|4.322946|3.532488|3.660472|8.149222|0.058943|0.059470|0.052719|0.062397|0.063017|0.082878|0.081476|0.082891|0.084354|0.132019|0.126506|0.110865|0.114769|0.124229|0.107722|0.217937|0.500000| |1.794352|1.858558|2.167296|2.185652|2.576521|2.454805|3.825110|3.115637|0.080795|4.144175|4.439809|6.053961|10.004376|7.774764|4.978571|35.760041|2.720179|4.140034|3.917660|2.474704|2.202293|2.201413|2.615721|2.776534|3.340447|2.806849|2.341002|2.703244|4.996477|2.380471|2.152099|1.965919|2.038651|4.064559|0.052030|0.050627|0.045271|0.049792|0.048566|0.061998|0.064609|0.057791|0.055892|0.074609|0.079388|0.064110|0.061692|0.101260|0.151908|0.229787|0.117211|0.500000| |1.801813|2.007307|2.345156|2.676190|3.308242|3.844030|7.014966|7.481262|0.163614|7.920560|6.700160|5.180319|4.656808|5.016692|6.364419|6.446111|9.601485|10.937736|26.148326|8.999348|5.923304|6.065132|7.671624|6.354948|7.486651|4.736966|4.560694|4.937117|10.592567|3.586204|3.144526|2.577872|2.563609|5.387292|0.050829|0.049068|0.045938|0.055771|0.053484|0.063467|0.067389|0.074381|0.069193|0.087521|0.098627|0.107053|0.093292|0.168990|0.119910|0.115476|0.157236|0.093191|0.500000| |1.678677|1.896232|2.107617|2.453666|2.759361|3.324289|5.045963|4.503588|0.125271|3.707636|3.584653|2.952251|2.600991|2.642314|3.072634|3.987235|6.739441|13.660065|9.673409|8.785609|17.627464|6.903650|5.544198|3.919081|3.523931|3.234049|3.505506|3.465582|6.544548|2.827513|2.586737|2.204756|2.181041|4.413704|0.046974|0.044697|0.043784|0.054582|0.051122|0.055130|0.059542|0.072470|0.064900|0.069544|0.078949|0.104167|0.084812|0.109839|0.077081|0.065458|0.082116|0.058297|0.146879|0.500000| |1.463855|1.622260|1.783670|2.019030|2.247848|2.605991|3.975773|3.439712|0.092928|3.093142|3.054176|2.662826|2.401101|2.416500|2.702297|3.777714|4.661651|8.488681|7.641361|8.784121|17.545933|7.011390|6.920250|4.554772|3.673916|3.808320|4.186878|2.852050|5.563135|2.401243|2.268311|1.952581|1.902844|3.760835|0.041057|0.039264|0.038404|0.046372|0.043851|0.047283|0.050488|0.058681|0.053803|0.058169|0.064373|0.078345|0.067768|0.090653|0.070701|0.060966|0.072440|0.055608|0.128595|0.301130|0.500000| |1.607238|1.782594|1.986129|2.242976|2.533551|2.894140|4.447788|4.144751|0.115473|3.802934|3.971110|3.359377|2.880184|2.810959|3.147630|4.445381|5.553823|9.253400|9.558585|8.765419|17.546627|5.512461|7.177054|4.536859|3.873487|3.940284|3.732774|3.034509|5.814808|2.482517|2.271369|1.961222|1.952771|3.936138|0.045546|0.042909|0.041842|0.051128|0.047503|0.052247|0.057190|0.065623|0.058433|0.064674|0.074741|0.087988|0.072667|0.123871|0.089882|0.068884|0.081076|0.063985|0.161279|0.300750|0.300817|0.500000| |1.544800|1.724489|1.945189|2.240845|2.623120|3.182938|5.406357|4.312511|0.101554|3.817771|3.269287|2.831492|2.757166|3.058524|3.635841|4.216876|5.971154|10.027127|9.660734|8.748857|5.515866|17.612287|6.478243|6.127276|5.940741|4.104581|6.397406|4.528347|10.521651|3.663468|3.598995|2.836658|2.620669|5.209659|0.042678|0.042275|0.040087|0.047903|0.047339|0.053072|0.053867|0.062256|0.061031|0.070720|0.072504|0.088671|0.085241|0.087741|0.070468|0.079110|0.106469|0.064150|0.170635|0.142730|0.140989|0.122858|0.500000| |1.418296|1.573298|1.741390|1.983113|2.245794|2.660538|4.231731|3.434056|0.086438|3.080972|2.821207|2.488839|2.370668|2.514901|2.862545|3.719412|4.666396|8.423376|7.598616|8.804197|6.787638|17.552773|6.881945|5.663963|4.576530|4.083896|6.369295|3.314679|6.940365|2.815845|2.776157|2.307989|2.162814|4.218412|0.039323|0.038553|0.037132|0.044204|0.043126|0.047052|0.048459|0.056108|0.053951|0.059738|0.062597|0.076582|0.071352|0.078613|0.063992|0.065110|0.080775|0.056143|0.131903|0.164767|0.204758|0.140159|0.300159|0.500000| |1.602484|1.811393|2.023285|2.374630|2.721158|3.401984|5.471577|4.378652|0.109136|3.574795|3.148657|2.657738|2.494486|2.685920|3.199394|3.825574|6.624505|13.726402|9.285234|8.828124|7.161926|17.636043|5.429742|4.417476|4.109473|3.320916|4.405935|4.273611|8.785997|3.500902|3.357561|2.715635|2.560441|5.116219|0.044176|0.043357|0.041770|0.051044|0.049801|0.054212|0.055823|0.067639|0.064822|0.071106|0.074707|0.099915|0.091409|0.088730|0.067315|0.068478|0.091351|0.057457|0.145729|0.213787|0.180646|0.143493|0.303265|0.301020|0.500000| |1.518754|1.658315|1.870290|2.069182|2.397540|2.669797|4.327428|4.019012|0.102925|4.207109|4.362893|3.960528|3.550556|3.465688|3.732445|5.476493|4.962583|7.340617|10.211234|8.975813|7.083839|5.479750|17.505569|8.863265|6.553009|7.521164|5.495100|3.096124|6.299154|2.513928|2.327226|1.989586|1.958112|3.929429|0.043105|0.041195|0.039318|0.046601|0.044230|0.050394|0.053987|0.058538|0.054028|0.063484|0.071087|0.076548|0.067304|0.121756|0.103362|0.085057|0.094668|0.079073|0.222407|0.145305|0.168400|0.219017|0.137725|0.140289|0.124009|0.500000| |1.382914|1.510217|1.676545|1.860459|2.110810|2.382001|3.774314|3.285687|0.084730|3.233485|3.205941|2.931539|2.726907|2.742042|2.967162|4.333214|4.176298|6.763132|7.765753|8.952567|7.549972|6.561108|17.537687|8.932024|5.466763|7.076992|7.097357|2.793284|5.708219|2.342889|2.236328|1.915333|1.851003|3.641571|0.038941|0.037530|0.036113|0.042529|0.040722|0.045225|0.047738|0.052779|0.049435|0.056089|0.061040|0.068602|0.061753|0.090123|0.077310|0.069815|0.078975|0.064159|0.150089|0.148344|0.224727|0.194224|0.153242|0.197095|0.139646|0.306013|0.500000| |1.585739|1.720657|1.982260|2.171266|2.608953|2.847342|4.897343|4.356185|0.102351|5.278046|4.884893|4.765411|5.009209|5.460715|5.638193|7.414738|4.636454|6.519401|8.438841|5.414463|3.961150|4.437834|6.684694|8.724781|17.522666|6.979839|5.494722|3.715557|8.053597|2.978229|2.752723|2.314507|2.264005|4.571161|0.044830|0.043790|0.040628|0.047235|0.046031|0.054895|0.056969|0.059205|0.056879|0.072184|0.077049|0.076724|0.071982|0.116643|0.113058|0.136196|0.143397|0.111493|0.240225|0.096524|0.097413|0.110191|0.135249|0.108852|0.103343|0.192299|0.137997|0.500000| |1.430450|1.543289|1.752438|1.909492|2.246825|2.456635|4.118127|3.369151|0.080472|3.770001|3.424647|3.382827|3.671831|4.118462|4.190157|5.856391|3.632867|5.482754|6.109240|4.416168|3.313681|4.162328|5.408077|8.812000|17.533796|7.030925|7.030777|3.301147|7.266801|2.799063|2.719165|2.293231|2.180792|4.268213|0.040120|0.039755|0.036917|0.042190|0.041769|0.048980|0.049660|0.051776|0.051001|0.063137|0.064564|0.065691|0.064208|0.084840|0.083512|0.113439|0.117504|0.092491|0.147881|0.081907|0.086074|0.088732|0.134463|0.107732|0.095979|0.137729|0.123580|0.303183|0.500000| |1.579006|1.734530|1.993233|2.232892|2.692168|3.077657|5.462029|4.555724|0.102849|4.832781|4.042234|3.669089|3.809895|4.453950|5.170406|5.694222|5.238836|7.526520|9.246752|6.218025|4.152540|5.967572|6.555340|8.678716|17.582285|5.502648|6.805093|4.532224|11.025723|3.577930|3.398988|2.730193|2.583576|5.201460|0.044059|0.043676|0.040570|0.047518|0.047041|0.055337|0.056114|0.060635|0.059650|0.074850|0.076714|0.082106|0.079804|0.100021|0.087807|0.115907|0.150213|0.087782|0.227397|0.103705|0.103147|0.106480|0.213218|0.138933|0.132819|0.156400|0.137890|0.300880|0.302429|0.500000| |1.256762|1.347790|1.491416|1.612882|1.820687|1.978360|3.107367|2.627491|0.067739|2.778922|2.818011|2.787506|2.719554|2.685830|2.715810|4.540952|3.003711|4.795781|5.179071|4.508242|3.901189|3.866175|7.081935|8.719092|5.515315|17.531819|6.948826|2.324972|4.719156|2.009964|1.942514|1.698035|1.641979|3.181930|0.035543|0.034407|0.032849|0.037613|0.036283|0.040765|0.042678|0.045107|0.042862|0.049433|0.052921|0.055567|0.051576|0.076303|0.074880|0.070555|0.071973|0.068269|0.112330|0.089083|0.110795|0.110165|0.104677|0.112882|0.088852|0.189403|0.215122|0.141454|0.142489|0.122210|0.500000| |1.267467|1.353678|1.507952|1.621277|1.848650|1.990447|3.170605|2.634779|0.066537|2.881857|2.855789|2.902947|2.985153|3.019660|2.967736|5.048370|2.898708|4.550080|4.895954|3.917575|3.226821|3.521974|5.536757|8.747199|6.985385|17.540909|7.058208|2.421081|4.989917|2.105548|2.047918|1.787299|1.720162|3.322441|0.035793|0.034978|0.033009|0.037418|0.036496|0.041686|0.043075|0.044725|0.043171|0.051032|0.053613|0.054768|0.052045|0.074440|0.076411|0.081560|0.079509|0.077777|0.111415|0.076959|0.088204|0.089707|0.102153|0.098873|0.081745|0.148110|0.144081|0.172958|0.212184|0.141717|0.301690|0.500000| |1.369948|1.466781|1.644469|1.769878|2.031357|2.178270|3.480321|3.028166|0.077309|3.401036|3.544397|3.633783|3.567560|3.428252|3.355833|5.923184|3.335532|5.091635|5.876544|4.578429|3.831300|3.689723|6.993972|8.716555|6.953287|17.539835|5.525323|2.564676|5.209468|2.173445|2.057335|1.793327|1.756198|3.451426|0.038969|0.037575|0.035541|0.040762|0.039186|0.045071|0.047516|0.049201|0.046497|0.055341|0.060030|0.060618|0.055843|0.093160|0.096903|0.088434|0.085894|0.087692|0.138290|0.088936|0.101050|0.112659|0.102494|0.099998|0.086238|0.226930|0.170440|0.209228|0.172807|0.141015|0.301473|0.301672|0.500000| |1.342595|1.467543|1.635285|1.822563|2.090412|2.392221|3.900856|3.108473|0.075903|3.040031|2.752452|2.544989|2.553598|2.776425|3.053559|4.066118|3.782647|6.217869|6.314603|5.768717|4.167574|7.085795|6.477754|8.673251|6.932531|5.521228|17.624122|3.184339|7.012985|2.753151|2.782174|2.311317|2.134687|4.108714|0.037292|0.036961|0.035027|0.040626|0.040201|0.045037|0.045635|0.050366|0.049561|0.057363|0.058540|0.065982|0.064225|0.073006|0.064707|0.074226|0.087840|0.062730|0.127928|0.101455|0.116439|0.100990|0.241432|0.214166|0.144513|0.134189|0.167544|0.139991|0.175382|0.203152|0.140299|0.143813|0.122408|0.500000| |1.252707|1.351437|1.500463|1.639717|1.867547|2.069401|3.320157|2.656798|0.065934|2.736109|2.559940|2.472766|2.536001|2.707473|2.823678|4.165155|3.043070|4.928455|5.030906|4.276758|3.354049|4.463607|5.437807|8.799134|6.890977|7.190260|17.535272|2.651967|5.649511|2.338078|2.352443|2.014081|1.882612|3.591618|0.034977|0.034616|0.032719|0.037306|0.036871|0.041551|0.042174|0.045135|0.044370|0.051700|0.052865|0.056740|0.055275|0.067226|0.063745|0.073881|0.079749|0.064912|0.107984|0.081404|0.094125|0.086623|0.138434|0.131923|0.099720|0.124184|0.145382|0.141509|0.209937|0.166425|0.176718|0.219738|0.144602|0.303156|0.500000| |1.248064|1.353289|1.493037|1.643651|1.853991|2.078965|3.288772|2.676825|0.067663|2.662588|2.535317|2.394024|2.361211|2.461807|2.618350|3.847069|3.212804|5.337190|5.414566|5.190997|4.184108|5.461296|6.900980|8.733231|5.498416|6.880474|17.531695|2.567694|5.366092|2.244227|2.235532|1.917808|1.805054|3.460613|0.034874|0.034220|0.032712|0.037709|0.036892|0.040882|0.042002|0.045873|0.044422|0.050452|0.052545|0.058269|0.055405|0.068652|0.062548|0.065478|0.072778|0.058809|0.109777|0.097593|0.124931|0.104943|0.151713|0.182292|0.117414|0.144316|0.218526|0.122387|0.141981|0.139639|0.204746|0.170610|0.140139|0.301800|0.301985|0.500000| |1.793161|2.029926|2.311224|2.705638|3.175491|3.866497|6.195571|3.672751|0.087589|3.232119|2.620224|2.327578|2.399081|2.838612|3.419601|3.722240|3.711691|6.643888|4.533708|3.031639|2.576840|3.504828|2.636598|2.700031|3.082236|2.241176|2.735505|6.608548|12.176036|8.864087|17.824427|8.440100|5.860545|10.462676|0.047959|0.050363|0.046257|0.054328|0.057869|0.065825|0.060742|0.070482|0.078789|0.092876|0.079888|0.095233|0.119167|0.068154|0.057361|0.078046|0.114522|0.058648|0.090064|0.074290|0.066382|0.065004|0.114152|0.085514|0.102287|0.067602|0.066283|0.080244|0.081766|0.103586|0.057342|0.060675|0.059909|0.087517|0.072300|0.068233|0.500000| |1.864827|2.093811|2.321702|2.636678|2.895876|3.232158|4.538661|2.703517|0.068562|2.463499|2.091414|1.909993|1.977336|2.280749|2.605463|3.158396|2.587050|4.687818|3.172006|2.141334|1.925360|2.351278|1.924143|1.955770|2.178866|1.709479|1.967172|4.067160|6.632117|5.844366|8.456388|17.806599|8.821699|10.450759|0.048806|0.053348|0.048494|0.054902|0.061565|0.067926|0.059265|0.067031|0.080428|0.087646|0.070963|0.079178|0.104162|0.055011|0.048011|0.063911|0.083710|0.050137|0.063746|0.055818|0.050273|0.049931|0.071859|0.059688|0.068685|0.050772|0.049497|0.058569|0.059105|0.068740|0.044386|0.046764|0.046399|0.060339|0.053080|0.050432|0.192459|0.500000| |2.501344|2.881490|3.275163|3.735186|4.003038|4.123184|5.230371|2.974230|0.077764|2.709159|2.305040|2.092146|2.148452|2.462841|2.826322|3.407640|2.645026|4.749961|3.145818|2.049598|1.882596|2.143592|1.836079|1.826063|2.041545|1.621705|1.770737|4.234394|6.247989|6.041947|5.825359|8.612303|17.832580|16.545845|0.063790|0.072927|0.063760|0.072685|0.087039|0.099977|0.079717|0.089055|0.120585|0.129296|0.092339|0.095725|0.138382|0.060725|0.052504|0.068037|0.089032|0.053704|0.063634|0.055141|0.048362|0.049851|0.063685|0.053814|0.062826|0.049711|0.046940|0.056820|0.054613|0.063313|0.042061|0.043955|0.044985|0.053030|0.047449|0.045622|0.123168|0.195205|0.500000|
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