Version2.0 2020-01-22T02:23:37Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN(CC)S(=O)(=O)c1ccc(cc1)c2ccc(o2)[C@@H]3c4c(n[nH]c4NC5=C3C(=O)CC(C5)(C)C)C C12311242 RHF 6-31G(d) (6D,7F) CCN(CC)S(=O)(=O)c1ccc(cc1)c2ccc(o2)[C@@H]3c4c(n[nH]c4NC5=C3C(=O)CC(C5)(C)C)C C01[X(C27H32N4O4S1)] 198 C1 608 CCN(S(=O)(=O)c1ccc(cc1)c1ccc(o1)[C@H]1C2=C(Nc3c1c(C)n[nH]3)CC(CC2=O)(C)C)CC CCN(S(=O)(=O)c1ccc(cc1)c1ccc(o1)[C@H]1C2=C(Nc3c1c(C)n[nH]3)CC(CC2=O)(C)C)CC CCN(CC)[S](=O)(=O)c1ccc(cc1)c2oc(cc2)[C@H]3C4=C(CC(C)(C)CC4=O)Nc5[nH]nc(C)c35 InChIKey=MNBCSYQGNSOPKF-RUZDIDTESA-N InChI=1S/C27H32N4O4S/c1-6-31(7-2)36(33,34)18-10-8-17(9-11-18)21-12-13-22(35-21)25-23-16(3)29-30-26(23)28-19-14-27(4,5)15-20(32)24(19)25/h8-13,25H,6-7,14-15H2,1-5H3,(H2,28,29,30)/t25-/m1/s1 InChI=1/C27H32N4O4S/c1-6-31(7-2)36(33,34)18-10-8-17(9-11-18)21-12-13-22(35-21)25-23-16(3)29-30-26(23)28-19-14-27(4,5)15-20(32)24(19)25/h8-13,25H,6-7,14-15H2,1-5H3,(H2,28,29,30)/t25-/m1/s1/f/h28,30H CCN(CC)S(=O)(=O)c1ccc(cc1)c2ccc(o2)[C@@H]3c4c(n[nH]c4NC5=C3C(=O)CC(C5)(C)C)C C01[X(C27H32N4O4S1)] 198 C01 608 CCN(S(=O)(=O)c1ccc(cc1)c1ccc(o1)[C@H]1C2=C(Nc3c1c(C)n[nH]3)CC(CC2=O)(C)C)CC CCN([S@@](=O)(c1ccc(cc1)c1ccc(o1)[C@@H]1[C@@H]2[C@@H](C)NN[C@H]2NC2=C1C(=O)CC(C2)(C)C)O)CC CCN(CC)[S](O)(=O)c1ccc(cc1)c2oc(cc2)[C@@H]3[C@@H]4[C@@H](C)NN[C@H]4NC5=C3C(=O)CC(C)(C)C5 InChIKey=QSQQWSYFBRNGOR-MHZLTWQESA-N InChI=1S/C29H30N2O5/c1-19-6-11-23(12-7-19)31(29(34)21-10-15-25-26(18-21)36-17-16-35-25)27(20-8-13-24(32)14-9-20)28(33)30-22-4-2-3-5-22/h6-15,18,22,27,32H,2-5,16-17H2,1H3,(H,30,33)/t27-/m0/s1 InChI=1/C29H30N2O5/c1-19-6-11-23(12-7-19)31(29(34)21-10-15-25-26(18-21)36-17-16-35-25)27(20-8-13-24(32)14-9-20)28(33)30-22-4-2-3-5-22/h6-15,18,22,27,32H,2-5,16-17H2,1H3,(H,30,33)/t27-/m0/s1/f/h30H 4095.4371965686 -1955.7332102 1-A 24729.3002 135 473 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.19920 -20.62431 -20.54240 -20.54127 -20.54076 -15.63508 -15.62396 -15.58859 -15.57361 -11.32433 -11.31680 -11.31598 -11.28938 -11.28458 -11.27094 -11.26798 -11.26556 -11.26326 -11.26300 -11.26059 -11.25760 -11.25699 -11.25386 -11.25359 -11.24598 -11.24194 -11.23507 -11.23407 -11.23128 -11.22873 -11.22779 -11.22142 -11.21784 -11.21589 -11.21319 -11.21194 -9.16980 -6.85651 -6.85602 -6.85467 -1.46967 -1.46792 -1.38936 -1.38771 -1.34311 -1.30019 -1.24787 -1.17944 -1.15808 -1.12818 -1.10306 -1.08852 -1.06921 -1.06715 -1.04401 -1.03426 -1.01719 -1.00290 -0.99757 -0.97240 -0.96312 -0.95411 -0.92531 -0.89649 -0.87824 -0.85858 -0.85502 -0.84793 -0.82204 -0.80360 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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| 5.9940 10.8903 21.1676 27.4791 34.2948 41.5491 52.5938 58.0652 75.4690 81.2075 91.9059 93.2592 98.0937 101.6520 124.4012 138.6258 145.0332 165.8526 185.8348 208.5896 218.9021 224.8836 236.4355 239.5590 244.2104 254.9216 283.8686 289.3368 292.5859 311.2608 321.7925 322.4121 334.3436 341.0299 356.6262 369.7014 382.3021 387.8360 390.8005 401.6769 412.8350 418.9877 450.2550 453.1846 460.8701 467.0452 482.3105 491.2909 511.6838 534.9764 538.2792 569.7909 572.2782 601.3314 602.8676 655.4593 661.0145 670.2978 693.0956 701.0617 720.1126 728.9135 736.5889 748.1628 762.7704 786.1371 806.6489 827.5396 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54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 6 6 7 6 6 16 8 8 6 6 6 6 6 6 6 6 6 6 8 6 1 6 6 7 7 1 6 7 6 6 6 8 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 12.00000 12.00000 14.00307 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 14.00307 14.00307 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 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 11560.5394 36878.5960 40272.1383 0.99999 -0.00277 0.00216 0.00270 0.99952 0.03072 -0.00224 -0.03072 0.99953 1 0.00749 0.00235 0.00215 0.15611 0.04894 0.04481 8.62 15.67 30.46 39.54 49.34 59.78 75.67 83.54 108.58 116.84 132.23 134.18 141.13 146.25 178.99 199.45 208.67 238.62 267.37 300.11 314.95 323.56 340.18 344.67 351.36 366.78 408.42 416.29 420.97 447.83 462.99 463.88 481.05 490.67 513.11 531.92 550.05 558.01 562.27 577.92 593.98 602.83 647.82 652.03 663.09 671.97 693.94 706.86 736.20 769.71 774.46 819.80 823.38 865.18 867.39 943.06 951.05 964.41 997.21 1008.67 1036.08 1048.74 1059.79 1076.44 1097.46 1131.08 1160.59 1190.64 1200.28 1214.15 1223.49 1247.21 1283.15 1294.47 1311.77 1331.61 1360.76 1382.80 1412.63 1430.20 1451.11 1454.15 1463.70 1468.18 1488.43 1489.98 1536.64 1551.87 1583.12 1585.34 1596.89 1604.78 1609.18 1614.20 1622.95 1638.56 1668.99 1686.60 1692.01 1706.30 1725.03 1733.24 1740.86 1742.78 1754.14 1789.61 1814.23 1815.08 1849.30 1856.34 1857.00 1889.40 1902.25 1924.38 1927.74 1945.62 1949.09 1956.11 2006.88 2014.67 2035.26 2041.98 2073.31 2081.06 2089.26 2097.58 2103.66 2116.14 2143.57 2183.68 2184.34 2201.23 2218.52 2221.16 2228.11 2245.30 2259.80 2262.70 2263.49 2269.45 2271.81 2314.85 2321.63 2336.95 2340.39 2349.07 2350.73 2351.84 2352.46 2356.47 2363.20 2364.84 2377.07 2380.77 2386.24 2386.52 2402.04 2421.78 2486.06 2529.82 2535.17 2590.32 2604.36 2619.40 2663.53 2826.51 4590.45 4592.88 4601.70 4614.87 4616.64 4619.24 4619.45 4637.81 4656.15 4672.19 4672.56 4687.85 4694.47 4696.96 4697.74 4702.85 4702.90 4716.47 4722.81 4733.26 4749.61 4759.58 4772.67 4809.29 4870.54 4895.82 4908.02 4918.41 4949.55 4970.81 5564.23 5655.68 0.601840 0.634453 0.635397 0.533269 -1955.131370 -1955.098757 -1955.097813 -1955.199941 3.425390D-04 MUNgauss RevisionA2.0 retrievium 22-Jan-2020 DUDE CCN(CC)S(=O)(=O)c1ccc(cc1)c2ccc(o2)[C@@H]3c4c(n[nH]c4NC5=C3C(=O)CC(C5)(C)C)C C12311242 RHF 6-31G(d) (6D,10F) C1 508.214428 |X|Y|Z| 66.322255 49.190172 133.831884 75.863418 24 6 7 8 20 3 1 |36.858105| |12.477271|36.858105| |7.588532|13.015552|53.358707| |5.820663|7.569256|17.702229|36.858105| |4.343918|5.733152|10.392949|12.495333|36.858105| |5.240471|7.047667|15.916584|7.116397|5.394234|388.023441| |3.933994|5.025430|10.534696|6.693134|5.806640|94.608620|73.516695| |4.936228|6.648358|10.514512|5.009086|4.264459|94.646570|13.584204|73.516695| |4.877520|5.222460|9.433052|5.378329|3.984460|76.390611|13.146116|13.115868|36.858105| |3.943129|4.082797|7.300409|4.960956|3.762032|49.390621|11.562206|8.862224|13.750556|36.858105| |3.418670|3.335753|5.449153|3.800758|3.014757|33.605428|7.881380|6.842425|7.950188|13.773597|36.858105| |3.427915|3.210029|4.917002|3.291033|2.649840|29.735776|6.571464|6.563834|6.846528|7.900887|13.679954|36.858105| |3.991124|3.689759|5.450084|3.409545|2.728286|33.640892|6.853750|7.877460|7.957213|6.878701|7.937502|13.648629|36.858105| |4.904078|4.785945|7.291440|4.167723|3.241651|49.391426|8.869462|11.538296|13.717274|7.923010|6.871448|7.897125|13.814534|36.858105| |2.830263|2.617860|3.879257|2.674297|2.228721|22.501859|5.148365|5.143850|4.485491|5.076011|7.676099|13.006983|7.665619|5.075747|36.858105| |2.579748|2.360411|3.385375|2.318517|1.969517|19.312567|4.394629|4.583039|3.618553|3.823356|5.031200|7.375906|6.125229|4.245924|14.148947|36.858105| |2.211984|2.041411|2.930808|2.057446|1.779233|16.463195|3.850577|3.888487|2.950268|3.198786|4.113292|5.175680|4.266192|3.270879|8.560534|13.276625|36.858105| |2.196271|2.049434|3.002749|2.149723|1.857219|16.874945|4.028895|3.891977|3.037379|3.460447|4.620107|5.362716|4.079350|3.215935|8.716656|8.576161|14.192209|36.858105| |2.504288|2.347667|3.518674|2.514662|2.128824|20.088853|4.785759|4.519536|3.803669|4.567236|6.832511|7.930749|5.172957|3.957138|14.103379|8.650194|8.657232|14.148795|73.516695| |1.931115|1.821374|2.673250|1.953388|1.718286|14.844765|3.625757|3.414413|2.568283|2.945061|3.729905|3.941183|3.142991|2.629811|5.299289|5.124828|7.292731|12.645676|13.895770|36.858105| |1.789852|1.684525|2.441507|1.775572|1.575481|13.492735|3.282278|3.147617|2.294395|2.563118|3.145771|3.387438|2.822379|2.379495|4.464367|4.690731|7.005868|9.142161|10.271610|17.579346|0.500000| |1.825833|1.758959|2.616931|1.921762|1.710650|14.762843|3.689645|3.383448|2.523731|2.943594|3.666926|3.663957|2.930204|2.519892|4.553622|4.181897|5.213818|7.632364|11.479536|12.661845|0.246099|36.858105| |1.704543|1.663633|2.472797|1.798608|1.620129|14.167253|3.568467|3.291558|2.388126|2.738950|3.311311|3.321749|2.743017|2.390630|3.976563|3.753958|4.475738|5.663731|8.985824|7.051880|0.174923|13.381781|36.858105| |1.636637|1.618050|2.425797|1.781197|1.622455|13.935587|3.581286|3.220017|2.304688|2.665038|3.126858|3.005338|2.513296|2.253969|3.388153|3.117095|3.506173|4.293363|7.408340|5.107025|0.126696|8.472452|14.659995|53.358707| |1.693799|1.672553|2.527566|1.887488|1.715750|14.350200|3.718669|3.260371|2.370262|2.802508|3.292527|3.051339|2.513633|2.274001|3.381758|3.016754|3.359863|4.262686|7.640894|5.269619|0.123971|8.736009|9.015136|19.181097|53.358707| |1.642430|1.636079|2.484422|1.872413|1.720001|14.075264|3.701619|3.186201|2.282352|2.699363|3.078079|2.793259|2.337471|2.157742|2.990958|2.662181|2.888902|3.548397|6.522133|4.195824|0.101317|6.046370|6.257569|12.762681|26.135161|0.500000| |1.811193|1.761247|2.651850|1.984272|1.777263|14.873921|3.791376|3.358652|2.504776|2.985603|3.634794|3.409684|2.736225|2.424788|3.935696|3.470305|4.000667|5.481529|9.590891|7.624556|0.161559|14.060003|8.720442|11.698578|19.417386|0.250872|36.858105| |1.873965|1.810196|2.730622|2.083020|1.859416|14.984532|3.822257|3.340483|2.504290|3.009267|3.616524|3.311193|2.666087|2.392532|3.715776|3.235948|3.643334|4.892589|8.911794|6.483719|0.139819|7.859890|5.394094|7.300204|10.678450|0.188085|13.809324|53.358707| |1.928377|1.826434|2.715361|2.066367|1.827758|14.638454|3.656219|3.279739|2.458816|2.897621|3.508833|3.345254|2.708682|2.396019|3.879352|3.461566|4.015333|5.434429|9.324856|7.505521|0.161510|6.842295|4.588177|5.721185|7.162853|0.127612|8.101764|18.717707|36.858105| |1.957335|1.831663|2.688506|2.005679|1.762221|14.565033|3.569733|3.307530|2.483758|2.868553|3.553258|3.600839|2.906481|2.494779|4.494107|4.186951|5.279017|7.600240|11.145299|12.446881|0.248218|7.747666|4.929656|5.625043|6.398662|0.110188|6.979612|10.856187|14.188324|36.858105| |1.945314|1.788751|2.576390|1.918450|1.685809|13.687642|3.306264|3.138138|2.304576|2.581795|3.110388|3.250288|2.733848|2.354407|4.001180|3.957766|4.945391|6.026900|8.834236|7.444832|0.196173|4.997637|3.693989|4.311477|4.702113|0.084563|4.537883|6.951802|7.824890|12.903962|36.858105| |1.890513|1.729217|2.459533|1.805918|1.590874|13.104803|3.134372|3.049016|2.201950|2.411629|2.885040|3.126737|2.696510|2.298807|3.932830|4.179140|5.492488|5.982951|8.202879|6.773130|0.207124|4.490090|3.504687|4.011195|4.188434|0.075330|3.864599|5.500228|5.411924|8.153871|15.887303|73.516695| |1.948379|1.781991|2.556998|1.938076|1.709166|13.281224|3.217346|3.025610|2.190675|2.443236|2.847953|2.890489|2.488038|2.204663|3.332051|3.217435|3.687627|4.264123|6.980351|4.835307|0.126396|3.795708|2.966938|3.641836|4.051281|0.075651|3.747142|6.118543|6.663833|7.432628|12.570486|14.319929|36.858105| |1.807450|1.682692|2.439688|1.878678|1.680370|12.673664|3.129004|2.869643|2.053863|2.316946|2.649068|2.588433|2.230338|2.021066|2.885550|2.719879|3.057403|3.598295|6.100062|4.263750|0.109820|3.690371|2.911693|3.708026|4.274880|0.081606|3.923612|6.889996|7.443859|6.457343|7.464362|9.423453|12.415740|36.858105| |1.900118|1.792315|2.651115|2.057322|1.832222|13.939889|3.489804|3.111224|2.283213|2.655857|3.079634|2.899522|2.427050|2.202556|3.199741|2.888981|3.209622|3.980397|7.069750|4.823165|0.115449|4.443721|3.382915|4.399207|5.366032|0.102686|5.162676|10.681784|12.615654|7.563643|6.545172|8.251769|7.671628|12.394022|36.858105| |1.586609|1.490362|2.149458|1.642009|1.489556|11.260818|2.793022|2.581470|1.803899|2.010936|2.277094|2.246991|1.964171|1.785652|2.518759|2.434856|2.788982|3.217405|5.267658|3.963597|0.108209|3.540223|2.870444|3.670737|4.169326|0.079725|3.717526|6.139148|5.976929|5.490645|6.135139|8.665061|7.552737|12.389654|7.540911|36.858105| |1.793145|1.665919|2.401557|1.876155|1.691202|12.235241|3.024966|2.765602|1.941748|2.165720|2.402022|2.322970|2.047936|1.895416|2.497739|2.350487|2.545075|2.888463|5.065875|3.219824|0.083815|2.890686|2.388654|3.107848|3.544928|0.069505|3.093868|5.260787|4.926946|4.342064|4.907991|7.000676|7.586798|12.425315|7.608508|7.625521|36.858105| |1.633076|1.592045|2.336694|1.674182|1.513499|13.451861|3.348169|3.190128|2.253721|2.502613|2.974918|3.116801|2.669228|2.312750|3.760663|3.798158|4.558915|5.105676|7.795006|5.603732|0.157616|7.262263|12.721166|10.643837|7.300036|0.119808|5.217769|5.230967|3.534911|3.954071|3.231191|5.757739|2.608419|2.494490|2.764121|2.485601|2.089826|36.858105| |17.541907|8.853040|7.558462|4.538275|3.713026|29.836926|5.858018|7.498714|3.905752|3.244657|2.903826|2.969499|3.451272|4.069526|2.534724|2.370445|2.052300|2.015203|4.004497|1.783221|0.046387|1.681278|1.576803|2.057835|2.118781|0.041929|1.660176|2.331205|1.769579|1.805159|1.812664|3.160294|1.819916|1.685351|1.749680|1.491970|1.679327|1.523028|0.500000| |17.558975|8.750925|9.301815|6.249615|4.518138|33.100928|6.618129|7.329653|4.506545|3.903697|3.433738|3.367216|3.729639|4.353605|2.819909|2.548240|2.217248|2.230051|4.525760|1.978653|0.050739|1.862467|1.719562|2.250444|2.353713|0.046658|1.862843|2.661671|2.027288|2.041165|2.040136|3.491561|2.076456|1.930304|2.026929|1.675877|1.937257|1.630885|0.301795|0.500000| |17.582235|8.776906|9.213066|5.095311|3.791725|38.770867|7.041560|9.251981|5.726613|4.431583|3.910499|4.085477|5.033086|6.321580|3.288419|2.988904|2.494099|2.448050|5.011795|2.107747|0.054123|1.975710|1.840517|2.382559|2.452446|0.048146|1.937881|2.709247|2.056007|2.113682|2.098052|3.645445|2.071809|1.896751|1.997175|1.661518|1.855995|1.770602|0.301286|0.301800|0.500000| |8.853878|17.569436|12.589518|7.253850|6.378377|38.958951|7.848253|9.262920|4.129725|3.446551|2.876621|2.745239|3.059340|3.771832|2.301767|2.094306|1.844369|1.859159|3.740493|1.676842|0.043266|1.625330|1.539417|2.049644|2.125226|0.042666|1.637798|2.302608|1.705748|1.698880|1.665463|2.857631|1.675282|1.595722|1.692242|1.418704|1.596304|1.471261|0.214630|0.209698|0.173005|0.500000| |8.835363|17.674066|12.517542|5.647213|4.736725|49.692707|8.643137|14.551908|5.037105|3.816158|3.154462|3.105424|3.674596|4.862093|2.543020|2.323395|1.998494|1.984711|4.013043|1.757559|0.045403|1.703374|1.628266|2.153383|2.203256|0.043921|1.692976|2.340427|1.727812|1.744614|1.700513|2.946030|1.676903|1.580709|1.679792|1.413253|1.553932|1.574507|0.212551|0.172642|0.210897|0.304780|0.500000| |4.825881|5.658380|12.414266|17.633534|8.873326|49.662022|13.083266|8.302837|5.927107|6.072937|4.453548|3.638088|3.611047|4.322246|2.918007|2.470476|2.199792|2.339324|4.953736|2.130424|0.053178|2.113540|1.966656|2.664750|2.853676|0.057936|2.207621|3.173840|2.288722|2.195236|2.068155|3.422580|2.083690|2.034438|2.270284|1.765235|2.018365|1.806979|0.106594|0.144895|0.126570|0.144757|0.127527|0.500000| |6.580901|7.345148|12.561748|17.580187|8.832060|38.822357|8.754855|7.487866|4.688582|4.402084|3.584821|3.186106|3.291508|3.885953|2.639925|2.309897|2.058895|2.144543|4.422340|1.951725|0.049419|1.893367|1.754066|2.348143|2.496626|0.050344|1.949949|2.816904|2.087223|2.030712|1.971485|3.297651|2.019194|1.946530|2.107376|1.687723|1.967234|1.632271|0.140999|0.224892|0.151625|0.204451|0.145949|0.305039|0.500000| |3.788456|5.023533|9.331492|8.841451|17.609386|40.716052|12.437066|8.047834|4.022323|3.805846|3.006487|2.620196|2.693135|3.219457|2.198406|1.939619|1.753286|1.832939|3.738994|1.698546|0.043251|1.710647|1.636722|2.246522|2.365795|0.048615|1.780300|2.510063|1.790551|1.724484|1.634035|2.744754|1.640978|1.619543|1.776971|1.446529|1.616025|1.531340|0.091195|0.105483|0.095424|0.147537|0.123943|0.213067|0.173406|0.500000| |3.731637|4.498354|7.575953|8.845098|17.533854|30.418726|8.347996|6.160949|3.454482|3.417371|2.824457|2.469667|2.486173|2.859800|2.116520|1.873104|1.714902|1.804329|3.655730|1.690593|0.043046|1.686605|1.590058|2.177894|2.323481|0.047806|1.769249|2.546988|1.838551|1.753718|1.679170|2.799143|1.720866|1.710604|1.868105|1.513622|1.740195|1.475343|0.090555|0.111799|0.091762|0.137988|0.105258|0.213186|0.213827|0.300335|0.500000| |4.484072|6.126895|9.399324|8.784131|17.555678|34.043681|8.535699|7.312714|3.550279|3.254946|2.680118|2.426918|2.545797|3.019886|2.065158|1.853878|1.674710|1.729059|3.481585|1.598520|0.041032|1.582258|1.503458|2.040666|2.142912|0.043714|1.630853|2.313043|1.682568|1.635437|1.579804|2.670968|1.603350|1.568476|1.688869|1.398356|1.583678|1.416884|0.110340|0.126863|0.104829|0.215504|0.141504|0.173225|0.209584|0.300818|0.301485|0.500000| |3.607157|3.877317|7.205563|5.358232|4.161580|47.143023|13.275749|8.177744|8.926289|17.755814|8.926435|5.631851|4.958579|5.643818|4.128719|3.227691|2.819988|3.100096|7.055726|2.749717|0.066579|2.813900|2.631069|3.575569|3.827711|0.076870|2.945620|4.098051|2.836693|2.726236|2.437185|4.002383|2.342961|2.276727|2.644048|1.980262|2.151350|2.370422|0.083265|0.101224|0.107163|0.094037|0.099363|0.198264|0.127007|0.119629|0.106511|0.096419|0.500000| |2.958370|2.894879|4.680902|3.423786|2.802355|27.800982|6.904125|5.746016|5.657721|8.943645|17.762317|8.916324|5.647468|4.954850|7.088618|4.729149|4.181105|5.066258|13.886772|4.258208|0.096290|4.323468|3.781577|4.912376|5.367950|0.101813|4.451072|6.094537|4.195907|4.109149|3.425405|5.484370|3.112893|2.952493|3.576872|2.516420|2.629572|3.237039|0.071050|0.084147|0.091264|0.071239|0.075738|0.112701|0.090609|0.077775|0.074732|0.068960|0.215569|0.500000| |3.686489|3.334110|4.686093|2.948884|2.422851|27.855392|5.756400|6.910979|5.664675|4.956720|5.640468|8.877369|17.738187|8.983488|7.053458|6.740082|4.472286|3.994023|8.391704|3.049350|0.077947|2.788827|2.632009|3.238246|3.191267|0.060271|2.551746|3.358695|2.541163|2.783863|2.677540|4.817789|2.416119|2.137495|2.278507|1.903378|1.959551|2.631532|0.092047|0.094824|0.128901|0.077973|0.093989|0.084793|0.080340|0.066252|0.061699|0.063928|0.107652|0.124014|0.500000| |5.237875|5.165741|7.198815|3.930625|3.146140|47.173279|8.182225|13.245104|8.913753|5.644459|4.954444|5.627966|8.935043|17.753389|4.127398|3.698416|2.907986|2.801121|5.869991|2.329913|0.059582|2.230987|2.139728|2.753639|2.757870|0.053652|2.142351|2.874651|2.123087|2.214617|2.121719|3.723886|2.000836|1.836381|1.972569|1.638556|1.737265|2.101258|0.124419|0.121384|0.190710|0.111107|0.156859|0.107857|0.102398|0.086792|0.076230|0.083793|0.124243|0.107614|0.216599|0.500000| |2.639566|2.395992|3.364632|2.261729|1.927464|19.171864|4.282551|4.674121|3.532856|3.539797|4.374419|6.341223|6.266559|4.347623|8.796821|17.803162|8.482355|5.849124|10.459375|4.027159|0.106626|3.414871|3.176494|3.680688|3.538756|0.064810|2.910865|3.728115|2.910759|3.426611|3.351822|6.393076|2.825439|2.406393|2.510885|2.177430|2.125823|3.305510|0.068204|0.071234|0.085913|0.058816|0.066381|0.065834|0.062672|0.052693|0.050561|0.050911|0.082916|0.110330|0.220320|0.109274|0.500000| |2.016661|1.861068|2.639161|1.855660|1.624289|14.689245|3.444948|3.514144|2.554652|2.717564|3.344400|4.054269|3.552917|2.827436|5.837568|8.457971|17.808462|8.838853|10.477592|6.328167|0.195465|4.610632|4.104398|4.392594|4.150202|0.073369|3.559811|4.422064|3.604872|4.730868|4.714588|10.068934|3.517527|2.905837|2.950925|2.731330|2.426720|4.400914|0.052653|0.056079|0.062595|0.047092|0.050834|0.054590|0.051764|0.044448|0.043610|0.042773|0.067644|0.094175|0.105660|0.071624|0.193995|0.500000| |1.780819|1.733487|2.619094|2.021591|1.828006|14.273948|3.686169|3.178032|2.332095|2.784838|3.225870|2.912652|2.402478|2.202369|3.157865|2.780052|3.061275|3.898035|7.160676|4.881864|0.112937|5.812754|4.521208|6.531373|9.661764|0.193999|9.286667|26.065398|9.326854|5.876482|4.269276|6.145228|4.024545|4.824188|7.516426|4.419048|3.864727|3.350070|0.045318|0.051777|0.052003|0.045364|0.045658|0.062889|0.055750|0.050441|0.051557|0.046346|0.079068|0.108997|0.061763|0.054451|0.066833|0.077234|0.500000| |1.841850|1.677558|2.376838|1.792710|1.592598|12.278603|2.960898|2.827528|1.999759|2.187686|2.506853|2.580508|2.279520|2.031915|2.953489|2.941177|3.359162|3.686076|5.951952|4.078262|0.112412|3.256052|2.640791|3.247117|3.534552|0.066485|3.161114|4.943390|4.930492|5.556232|9.003714|13.618324|17.586384|8.739783|5.527689|6.952972|6.773304|2.387880|0.048309|0.054388|0.054220|0.044008|0.044012|0.052919|0.052069|0.042415|0.044512|0.041840|0.058197|0.074542|0.062393|0.051882|0.073454|0.092054|0.092471|0.500000| |2.172480|1.961621|2.814838|2.143375|1.864876|14.449506|3.471206|3.263901|2.401444|2.683006|3.130144|3.169009|2.721794|2.412480|3.585901|3.387313|3.718991|4.255949|7.355644|4.457179|0.112855|3.551750|2.812070|3.476043|3.863635|0.072718|3.532037|5.768356|5.962072|6.405883|9.049174|11.757538|17.488877|8.826644|6.916033|5.500519|7.092779|2.484487|0.056020|0.065065|0.064308|0.051060|0.050823|0.064110|0.062693|0.049322|0.052149|0.048490|0.071060|0.094227|0.072824|0.060473|0.082775|0.095994|0.105649|0.302520|0.500000| |2.085118|1.961108|2.924994|2.302583|2.028937|15.212005|3.809790|3.347298|2.498595|2.944706|3.394351|3.115651|2.594481|2.375946|3.333194|2.930776|3.138454|3.851520|7.244650|4.323391|0.102202|4.004898|3.126650|4.102436|4.964426|0.096560|4.626599|9.194854|9.039682|6.241568|5.592339|7.383702|6.726561|8.801039|17.507488|5.510407|7.260407|2.586455|0.052868|0.062511|0.060690|0.051399|0.050537|0.071304|0.065964|0.054260|0.057759|0.051571|0.082054|0.110195|0.066705|0.058685|0.070972|0.078800|0.181624|0.138273|0.198337|0.500000| |1.760412|1.681007|2.492828|1.946606|1.760322|13.129735|3.330429|2.935735|2.112227|2.449468|2.776096|2.581381|2.191073|2.019186|2.793146|2.534499|2.789312|3.391559|6.047948|4.107942|0.100852|4.067966|3.225229|4.351952|5.423743|0.107545|4.957955|10.228229|8.935426|5.726402|4.938334|6.740511|5.556343|8.819798|17.514792|7.135036|6.743950|2.624981|0.045167|0.052016|0.050972|0.044391|0.043866|0.059660|0.055057|0.047673|0.050179|0.045049|0.068878|0.089314|0.057123|0.050561|0.061996|0.072061|0.238772|0.123484|0.140054|0.303992|0.500000| |1.527747|1.427938|2.039567|1.552276|1.412233|10.624957|2.619659|2.453143|1.690761|1.858953|2.086716|2.085337|1.851599|1.687015|2.331754|2.294972|2.617737|2.922519|4.754954|3.476333|0.097759|3.064035|2.552397|3.247507|3.593109|0.068931|3.123269|4.932148|4.602920|4.539569|5.462077|8.371772|6.897090|8.779508|5.485308|17.554465|6.938301|2.274536|0.040187|0.044801|0.044365|0.037861|0.037676|0.045951|0.044517|0.037997|0.039823|0.037060|0.050632|0.062996|0.050309|0.043343|0.057783|0.072477|0.098169|0.208679|0.142004|0.123214|0.143324|0.500000| |1.509040|1.429822|2.069310|1.591454|1.457114|10.834658|2.712129|2.480387|1.716042|1.915665|2.140267|2.081532|1.828766|1.682599|2.290474|2.194413|2.470539|2.840323|4.754834|3.453006|0.093372|3.255870|2.708602|3.562936|4.098591|0.080229|3.543715|5.894048|5.252132|4.529488|4.660916|6.838111|5.486432|8.763052|6.828165|17.537027|6.991918|2.334430|0.039427|0.044286|0.043607|0.037997|0.037655|0.047586|0.045302|0.039403|0.041353|0.037952|0.053010|0.065860|0.048988|0.042990|0.054881|0.066936|0.124860|0.141312|0.123071|0.143004|0.212372|0.301831|0.500000| |1.563803|1.473737|2.128876|1.611955|1.460874|11.282355|2.798261|2.596909|1.820641|2.032680|2.328051|2.317571|2.012539|1.812550|2.649309|2.585447|3.044742|3.558480|5.631852|4.648136|0.130548|4.123198|3.287160|4.129486|4.657434|0.087132|4.227679|6.730908|6.568025|6.403370|6.784101|9.697445|6.809522|8.691926|6.839041|17.570206|5.499659|2.823215|0.040826|0.045527|0.045759|0.038803|0.039035|0.048187|0.045700|0.039626|0.040998|0.038086|0.055304|0.071766|0.054380|0.046122|0.063688|0.083585|0.130257|0.171622|0.138619|0.138272|0.178338|0.302118|0.301630|0.500000| |1.966180|1.813425|2.618182|2.065449|1.845460|13.174903|3.244833|2.953191|2.092498|2.338859|2.578592|2.472872|2.181539|2.030365|2.613355|2.425268|2.567299|2.902766|5.237175|3.119792|0.079896|2.796893|2.319372|3.020906|3.439641|0.067637|2.990933|5.073629|4.658550|4.133026|4.607398|6.642266|6.923643|8.744212|6.906350|5.505694|17.544235|2.035036|0.050892|0.059724|0.056355|0.048278|0.046574|0.061857|0.060802|0.048568|0.052943|0.047868|0.064603|0.078043|0.057562|0.051527|0.061049|0.067104|0.102644|0.167434|0.213925|0.217561|0.164011|0.141350|0.141603|0.122309|0.500000| |1.688498|1.587519|2.299162|1.808831|1.650284|11.731861|2.932874|2.649758|1.839427|2.055648|2.251084|2.147726|1.900753|1.778483|2.279970|2.135394|2.298439|2.610019|4.616307|2.929911|0.076311|2.732683|2.295018|3.045222|3.507265|0.069980|2.997253|5.120022|4.508997|3.821698|4.047977|5.919872|5.495661|8.759907|6.918312|6.928542|17.533466|1.998553|0.043947|0.050564|0.048218|0.042490|0.041177|0.054159|0.052399|0.043969|0.047483|0.042857|0.057455|0.068737|0.050331|0.045394|0.053878|0.060929|0.109143|0.138873|0.143275|0.182028|0.200312|0.170363|0.209439|0.141140|0.301247|0.500000| |1.708498|1.579421|2.250331|1.745793|1.581171|11.423475|2.806813|2.607177|1.800503|1.976842|2.177743|2.140575|1.917124|1.775755|2.307758|2.215937|2.402701|2.658114|4.589299|2.928370|0.078279|2.604320|2.189047|2.831253|3.163380|0.061907|2.718142|4.431423|4.055542|3.804426|4.510965|6.796059|6.870985|8.780287|5.508177|6.974619|17.550709|1.953338|0.044853|0.051144|0.049051|0.042165|0.041064|0.051592|0.051016|0.041915|0.045081|0.041466|0.054225|0.065154|0.051524|0.045620|0.056338|0.064704|0.089653|0.200598|0.174529|0.144851|0.139269|0.209103|0.173659|0.141306|0.301575|0.301766|0.500000| |1.550578|1.501130|2.182075|1.566688|1.420101|12.400072|3.068076|2.954536|2.057583|2.257660|2.657387|2.813108|2.449077|2.126177|3.414752|3.575477|4.458905|4.813097|6.994353|5.533313|0.172868|6.438662|8.898798|8.235704|6.245941|0.104901|4.658987|4.888380|3.437029|3.943269|3.324434|6.083537|2.653422|2.519489|2.718097|2.568100|2.098105|17.543357|0.040423|0.043120|0.046589|0.038685|0.041206|0.046672|0.042735|0.039717|0.038558|0.037112|0.059425|0.079558|0.067993|0.054166|0.087611|0.126985|0.087613|0.068417|0.069063|0.069628|0.071628|0.065907|0.066510|0.082249|0.056171|0.055557|0.055013|0.500000| |1.544302|1.520265|2.233254|1.599076|1.459519|12.923834|3.245944|3.083452|2.129908|2.347520|2.720459|2.804878|2.453218|2.169628|3.240626|3.239579|3.687471|4.014458|6.485383|4.298007|0.119818|5.480604|8.967491|10.226602|6.741296|0.116127|4.451817|4.593211|3.049061|3.283794|2.746553|4.870410|2.290558|2.225018|2.462469|2.229844|1.899412|17.608086|0.040102|0.042684|0.046258|0.039165|0.041951|0.047833|0.043075|0.041269|0.039512|0.038001|0.062426|0.081504|0.067038|0.055217|0.080601|0.099465|0.084401|0.058717|0.060948|0.064517|0.066086|0.056983|0.059058|0.069499|0.051460|0.050972|0.049454|0.300564|0.500000| 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