Version2.1 2021-01-14T22:27:24Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 25-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)[C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCSC(C)(C)C)Oc3ccccc3 C39696555 RHF 6-31G(d) (6D,7F) CC(C)[C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCSC(C)(C)C)Oc3ccccc3 C01[X(C26H42N3O3S1)] 219 C1 583 CC([C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCSC(C)(C)C)Oc1ccccc1)C CC([C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCSC(C)(C)C)Oc1ccccc1)C CC(C)[C@@H](Oc1ccccc1)C(=O)N2C[C@H](C(=O)NCCSC(C)(C)C)C3(CC[NH2+]CC3)C2 InChIKey=OZPQZTIEGUXGCF-FGZHOGPDSA-O InChI=1S/C26H41N3O3S/c1-19(2)22(32-20-9-7-6-8-10-20)24(31)29-17-21(26(18-29)11-13-27-14-12-26)23(30)28-15-16-33-25(3,4)5/h6-10,19,21-22,27H,11-18H2,1-5H3,(H,28,30)/p+1/t21-,22-/m1/s1 InChI=1/C26H41N3O3S/c1-19(2)22(32-20-9-7-6-8-10-20)24(31)29-17-21(26(18-29)11-13-27-14-12-26)23(30)28-15-16-33-25(3,4)5/h6-10,19,21-22,27H,11-18H2,1-5H3,(H,28,30)/p+1/t21-,22-/m1/s1/fC26H42N3O3S/h27-28H/q+1 CC(C)[C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCSC(C)(C)C)Oc3ccccc3 C01[X(C26H42N3O3S1)] 219 C01 583 CC([C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCSC(C)(C)C)Oc1ccccc1)C CC([C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)[C]([NH]CCSC(C)(C)C)=O)O[C]1[CH][CH][CH][CH][CH]1)C CC(C)[C@@H](O[C]1[CH][CH][CH][CH][CH]1)C(=O)N2C[C@H](C(=O)NCCSC(C)(C)C)C3(CC[NH2]CC3)C2 InChIKey=DNCJFVKTMBFCDP-FGZHOGPDSA-N InChI=1S/C26H42N3O3S/c1-19(2)22(32-20-9-7-6-8-10-20)24(31)29-17-21(26(18-29)11-13-27-14-12-26)23(30)28-15-16-33-25(3,4)5/h6-10,19,21-22H,11-18,27H2,1-5H3,(H,28,30)/t21-,22-/m1/s1 InChI=1/C26H42N3O3S/c1-19(2)22(32-20-9-7-6-8-10-20)24(31)29-17-21(26(18-29)11-13-27-14-12-26)23(30)28-15-16-33-25(3,4)5/h6-10,19,21-22H,11-18,27H2,1-5H3,(H,28,30)/t21-,22-/m1/s1/f/h28H 3694.3797130973 -1794.3061351 1-A 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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 6 6 1 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 6 16 6 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 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 31.97207 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 13234.0474 33910.1902 40643.6625 0.99987 0.01226 -0.01001 -0.01221 0.99992 0.00449 0.01007 -0.00437 0.99994 1 0.00654 0.00255 0.00213 0.13637 0.05322 0.04440 7.50 15.55 23.52 30.87 40.22 49.17 62.72 67.05 79.30 81.04 96.46 116.84 121.83 136.73 159.20 194.69 211.43 233.81 265.98 277.39 284.62 305.69 329.78 337.65 347.68 358.45 369.48 386.44 397.02 425.31 427.28 430.71 444.76 471.93 477.76 486.08 532.08 550.98 553.69 570.58 582.78 619.32 627.92 655.49 666.87 671.61 677.76 685.50 711.84 721.38 755.79 777.37 797.23 835.97 902.08 924.41 972.25 978.12 989.63 1018.81 1099.70 1118.44 1139.41 1182.40 1195.06 1239.41 1242.53 1250.88 1262.25 1270.95 1282.91 1303.26 1333.58 1357.66 1365.93 1369.02 1378.03 1407.31 1462.37 1463.08 1470.18 1480.76 1486.84 1509.42 1516.94 1525.72 1527.60 1551.60 1571.12 1575.93 1588.09 1598.58 1603.16 1605.30 1618.28 1620.39 1627.23 1632.55 1644.87 1650.01 1657.08 1667.98 1677.46 1685.95 1691.48 1747.76 1772.53 1783.29 1803.90 1841.26 1849.42 1867.62 1896.11 1896.97 1900.75 1914.61 1917.50 1921.59 1941.76 1954.63 1958.44 1960.48 1980.94 1990.61 2020.82 2039.56 2045.39 2084.23 2090.82 2094.72 2101.89 2103.52 2108.93 2118.32 2150.26 2160.62 2167.45 2195.32 2197.44 2223.60 2228.28 2233.85 2239.88 2242.80 2243.78 2244.83 2258.45 2272.75 2277.19 2281.96 2296.71 2329.34 2338.41 2348.02 2348.26 2349.73 2353.40 2359.43 2361.31 2366.52 2369.11 2372.45 2373.74 2374.54 2374.69 2385.96 2390.69 2392.55 2404.23 2413.81 2432.27 2478.20 2574.57 2597.30 2626.56 2747.19 2808.40 4562.77 4600.45 4608.72 4610.07 4614.62 4618.28 4626.46 4633.52 4636.18 4659.01 4665.15 4669.50 4687.62 4692.16 4696.55 4701.37 4703.27 4703.59 4712.70 4716.85 4721.08 4724.05 4726.31 4733.61 4736.24 4742.75 4745.46 4746.36 4753.61 4762.12 4771.55 4798.81 4801.84 4809.42 4835.66 4848.42 4862.95 4880.36 4915.90 5264.66 5363.81 5586.40 0.712508 0.745839 0.746783 0.641071 -1793.593627 -1793.560296 -1793.559352 -1793.665064 3.545598D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE CC(C)[C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCSC(C)(C)C)Oc3ccccc3 C39696555 RHF 6-31G(d) (6D,10F) C1 476.294689 |X|Y|Z| 130.556420 75.380333 45.333724 76.411588 19 6 7 8 16 2 1 |36.858105| |12.433113|36.858105| |7.545275|12.439247|36.858105| |7.450149|12.349078|7.562730|36.858105| |5.482410|8.871116|7.171161|17.563019|0.500000| |6.170892|7.516584|4.914483|12.426091|0.246334|36.858105| |5.791233|5.829976|4.088577|7.939010|0.165410|15.906626|73.516695| |4.738671|5.860393|4.207729|7.681249|0.202541|13.929160|15.231886|53.358707| |3.997416|5.262012|4.192104|6.364503|0.204136|7.503322|9.417180|17.815593|36.858105| |3.136129|3.759791|3.151581|4.272878|0.129086|5.174636|7.524193|11.061219|12.362068|36.858105| |2.840043|3.350960|2.870131|3.956991|0.120692|4.774379|7.189314|9.361839|8.917497|17.499237|0.500000| |3.216991|3.615513|2.927192|3.977671|0.110806|5.234664|8.207696|11.044735|7.818185|12.306065|0.248383|36.858105| |3.806536|4.211208|3.230680|4.984756|0.130994|7.857141|12.672282|17.864758|7.881630|8.066086|0.200210|12.389416|36.858105| |3.368143|3.690128|2.985798|3.704498|0.100801|4.579844|7.278383|8.552958|6.164848|7.429258|0.152576|12.307150|7.536333|36.858105| |3.082426|3.154767|2.584988|3.121542|0.082551|3.841053|6.608265|6.403681|4.263539|4.846113|0.113138|7.426007|5.957015|12.505633|36.858105| |2.519757|2.589834|2.190897|2.638084|0.071093|3.197703|5.595311|5.258551|3.620295|4.397997|0.109351|6.482964|5.024923|7.705018|12.652832|53.358707| |2.358978|2.372176|2.025146|2.395075|0.064036|2.862761|5.121159|4.518263|3.076808|3.580114|0.091198|4.903245|4.182033|5.681457|9.159499|25.690452|0.500000| |2.342489|2.443133|2.106311|2.472294|0.067736|2.913702|4.997386|4.803878|3.483885|4.344344|0.107530|5.906194|4.353515|7.134396|9.201751|25.647301|0.327458|0.500000| |2.461952|2.560459|2.161528|2.724403|0.073906|3.395988|6.016290|5.673792|3.826495|4.859468|0.129031|7.443222|5.910595|6.473093|7.628187|17.231507|0.254397|0.255754|36.858105| |2.590441|2.811908|2.372071|3.076014|0.085886|3.860356|6.487608|6.981088|5.008524|7.478039|0.201363|12.381813|7.419681|7.519163|6.484051|10.518015|0.158060|0.199027|12.511511|36.858105| |2.695525|3.199173|2.838533|3.418198|0.104479|3.784362|5.701616|6.953142|7.314563|12.470324|0.251799|7.289542|5.013081|6.212057|4.264983|5.477801|0.092229|0.118865|4.159137|5.902993|36.858105| |2.443947|2.798071|2.497759|2.906342|0.086103|3.233012|5.057665|5.701487|5.257110|7.972706|0.179900|6.612991|4.402280|6.344913|4.569451|6.182220|0.102660|0.143388|4.494124|6.163367|15.771207|73.516695| |2.583204|3.134722|2.910560|3.343658|0.106355|3.468628|5.183693|5.975880|6.444599|7.834308|0.190745|5.007989|4.005584|4.499752|3.342806|4.277656|0.074917|0.091932|3.228478|4.231774|14.212181|15.124244|53.358707| |2.225994|2.633002|2.531383|2.722940|0.084992|2.760638|4.253396|4.497890|4.357334|4.988526|0.128314|3.761220|3.096819|3.602833|2.851637|3.731876|0.066830|0.081866|2.752929|3.410499|7.745621|12.107921|17.778952|36.858105| |1.935414|2.238686|2.156515|2.357272|0.072800|2.416688|3.812285|3.864994|3.547263|4.164022|0.116207|3.279972|2.751365|3.038292|2.513626|3.420783|0.062011|0.075206|2.590050|3.181703|5.800578|9.820000|10.447535|12.462996|36.858105| |1.692192|1.922837|1.890928|1.978168|0.060197|1.996258|3.200796|3.091670|2.716515|3.032187|0.083339|2.559069|2.206238|2.474396|2.129049|2.904682|0.053825|0.064078|2.149796|2.510065|3.901724|7.025226|6.386999|7.015381|10.486453|388.023441| |1.496612|1.676101|1.645351|1.746009|0.052695|1.774378|2.891205|2.710255|2.308901|2.579550|0.073357|2.234655|1.966355|2.119214|1.872663|2.607941|0.048909|0.057117|1.967180|2.263466|3.118904|5.627482|4.812768|4.470024|6.552404|73.248230|36.858105| |1.466498|1.626654|1.572859|1.703211|0.050888|1.763817|2.900117|2.713321|2.277850|2.620834|0.075409|2.317993|2.016519|2.178140|1.947829|2.778097|0.052140|0.061346|2.116949|2.429664|3.147128|5.869035|4.595215|4.030739|5.780546|48.453151|12.438259|36.858105| |1.369079|1.518490|1.504019|1.561908|0.046754|1.575778|2.585898|2.373654|1.989292|2.176831|0.061092|1.931866|1.720157|1.869785|1.679912|2.332422|0.044243|0.051022|1.735635|1.950354|2.575746|4.693607|3.899181|3.543773|4.518987|50.603674|12.414129|7.595884|36.858105| |1.488196|1.674107|1.654662|1.767254|0.053768|1.781155|2.900948|2.693346|2.291262|2.510057|0.072889|2.148752|1.933838|2.000434|1.765288|2.442084|0.045867|0.052673|1.869039|2.159289|2.929399|5.078398|4.598559|4.040447|5.704599|48.448172|12.436547|7.565801|7.598536|36.858105| |6.614972|7.989681|6.462510|13.676640|0.260865|7.917910|12.371393|7.168824|4.471553|3.357471|0.090132|3.194299|3.964912|2.969997|2.625209|3.108451|0.058685|0.059432|2.378996|2.619286|2.778598|4.304529|3.741182|2.315352|2.062133|12.542573|1.586875|1.548896|1.431119|1.621422|73.516695| |4.487523|5.221357|4.715779|8.054453|0.209434|6.218236|10.229854|6.295302|4.091924|3.202283|0.089721|2.981722|3.661820|2.677840|2.376835|2.901446|0.054852|0.055767|2.270788|2.523781|2.659761|4.107594|3.626753|2.253819|2.052399|12.442407|1.597660|1.560357|1.434852|1.655258|24.683461|36.858105| |3.819393|4.086796|3.603991|5.736792|0.145885|5.519428|10.359775|5.757886|3.605962|2.993328|0.085891|2.882079|3.616735|2.545066|2.317275|2.880658|0.054887|0.054886|2.297647|2.515379|2.469058|3.874132|3.300092|2.064989|1.917948|11.656360|1.519902|1.502359|1.365670|1.575346|14.233057|13.763981|36.858105| |2.996904|3.210856|2.962903|4.205388|0.114684|4.113976|7.562397|4.716928|3.109187|2.695709|0.079320|2.563628|3.095607|2.248069|2.059903|2.622280|0.050178|0.050395|2.111098|2.313243|2.274282|3.591015|3.074822|1.952107|1.851032|11.308693|1.497756|1.481823|1.345818|1.570349|9.300540|7.970719|13.744260|36.858105| |2.718907|3.000913|2.898288|3.839166|0.111029|3.571911|6.217570|4.272345|2.976633|2.586129|0.076471|2.384464|2.770761|2.102259|1.904791|2.436612|0.046511|0.047420|1.948068|2.159456|2.236106|3.511482|3.100847|1.988587|1.897871|11.637364|1.546981|1.515088|1.389502|1.642904|8.182983|6.884512|7.913557|13.744633|36.858105| |2.935166|3.377782|3.393592|4.353301|0.132592|3.744872|6.194692|4.480279|3.232978|2.716967|0.079102|2.440314|2.791665|2.175990|1.938269|2.449825|0.046504|0.047995|1.931912|2.164772|2.374350|3.682145|3.365804|2.154695|2.026726|12.413377|1.628237|1.573764|1.461819|1.732810|9.283105|7.955281|6.861367|7.949303|13.745862|36.858105| |3.694469|4.451401|4.483416|6.133035|0.189789|4.707290|7.467234|5.337745|3.801498|3.020607|0.085551|2.707868|3.152493|2.440308|2.146524|2.654569|0.050142|0.051792|2.070015|2.325733|2.597672|3.987636|3.667652|2.309525|2.115418|12.878165|1.656786|1.598197|1.487411|1.739622|14.191842|13.747984|7.913360|6.878406|7.927687|13.748933|36.858105| |17.553824|8.837492|6.944498|5.458499|0.123520|4.712464|7.907410|5.400017|3.521703|2.856417|0.071404|2.937922|3.319616|3.188004|2.965020|3.290892|0.063404|0.062997|2.310349|2.402113|2.537386|4.156628|3.325381|2.146944|1.860359|11.732492|1.453425|1.420467|1.339856|1.436335|8.732100|3.628427|3.148832|2.570248|2.376718|2.566981|3.143499|0.500000| |17.585292|8.715855|5.472006|6.763098|0.138542|6.887088|12.602785|7.097982|4.098902|3.293484|0.082625|3.541857|4.354989|3.727932|3.502828|3.823068|0.073208|0.071144|2.742596|2.835159|2.767251|4.502418|3.513478|2.207750|1.931828|11.941601|1.492078|1.476621|1.361153|1.477567|10.496697|4.234331|3.819226|2.990983|2.652111|2.783444|3.411888|0.301279|0.500000| |17.600609|8.797175|6.843657|6.737012|0.140107|5.416479|9.593726|5.558342|3.480680|2.786825|0.071918|2.831436|3.364955|2.882942|2.679281|3.071036|0.059200|0.058387|2.238405|2.345241|2.409717|3.892747|3.179575|2.033964|1.796123|11.241693|1.413783|1.384358|1.297263|1.416367|13.041113|4.887699|4.160564|3.214815|2.887993|3.105681|3.933044|0.301313|0.302589|0.500000| |8.893805|17.480365|8.920264|8.943993|0.213930|7.125276|9.562786|8.867244|6.171372|4.312688|0.102015|4.146303|4.621307|4.438176|3.637146|3.939567|0.072639|0.076248|2.801829|3.108888|3.692771|5.718310|4.847625|2.949643|2.444284|14.809626|1.786145|1.734706|1.612822|1.763730|10.273724|4.273465|3.515880|2.861900|2.699368|3.002926|3.788662|0.214356|0.211519|0.173645|0.500000| |6.825046|8.791592|17.586695|6.832367|0.175971|4.487553|6.958050|5.065276|3.614558|2.799905|0.072628|2.622893|2.937505|2.625257|2.323763|2.728176|0.051904|0.053372|1.999444|2.175468|2.515267|3.965087|3.512378|2.269116|1.976411|12.417381|1.542586|1.476709|1.415205|1.563941|12.683931|5.207801|3.883106|3.175486|3.118295|3.696031|4.989916|0.169937|0.139447|0.202512|0.173815|0.500000| |5.474402|8.737846|17.527569|6.908019|0.216552|4.612681|6.654323|5.697995|4.495317|3.332242|0.084444|2.965479|3.187597|2.979783|2.522995|2.947185|0.055194|0.058467|2.149069|2.403450|3.059620|4.701840|4.417223|2.817308|2.369344|14.687417|1.778820|1.682114|1.618347|1.798245|10.142234|4.565559|3.463801|2.928668|2.952008|3.552016|4.671275|0.141646|0.122153|0.139509|0.213452|0.301007|0.500000| |6.926757|8.805489|17.562532|5.493963|0.144618|4.071676|6.260150|4.946197|3.644972|2.863228|0.071923|2.708291|2.913198|2.853294|2.511263|2.886298|0.054841|0.056922|2.054728|2.222361|2.650837|4.233205|3.687705|2.412689|2.051225|13.013823|1.586785|1.514932|1.464063|1.582676|8.618980|3.746176|3.025361|2.549161|2.494076|2.857086|3.587805|0.209826|0.141174|0.170387|0.213721|0.301620|0.301886|0.500000| |4.274497|5.883682|4.750466|6.185952|0.197020|6.404102|8.281895|12.273131|17.560604|8.718909|0.175276|6.427845|6.068128|6.182802|4.228601|4.726991|0.082720|0.094334|3.470764|4.315724|6.960251|9.249253|8.864935|4.567362|3.525794|19.681641|2.294242|2.231384|1.999992|2.249736|7.613558|3.759110|3.237807|2.789948|2.701481|2.983418|3.551404|0.107629|0.118144|0.100332|0.213155|0.108291|0.144278|0.116845|0.500000| |3.719779|4.979873|4.234594|6.489776|0.239135|6.736692|8.639249|12.282743|17.588992|8.732733|0.226306|5.703871|6.004868|4.587163|3.445774|4.151800|0.073653|0.082285|3.274132|4.195059|6.213572|8.017168|8.608359|4.340461|3.619165|19.582617|2.363154|2.299799|2.024216|2.401392|8.407861|4.574873|3.914571|3.429933|3.382491|3.780152|4.460831|0.090629|0.102688|0.093237|0.150259|0.103862|0.131475|0.099631|0.302033|0.500000| |3.339598|3.649340|2.907844|4.478641|0.119937|6.717626|11.772213|12.329419|6.382522|6.853368|0.202411|8.738367|17.523613|5.504949|4.745617|6.032698|0.105578|0.108039|5.663651|7.122064|4.476135|7.029455|5.028522|2.901573|2.668323|15.199504|1.945970|2.011404|1.695526|1.936182|6.736593|3.696872|3.824390|3.355771|2.963236|2.902911|3.186566|0.080919|0.104303|0.085097|0.106468|0.075340|0.080264|0.072518|0.135600|0.153006|0.500000| |4.033976|4.160093|3.142960|4.673451|0.116487|7.299423|13.705213|12.467352|5.819763|5.712939|0.142820|8.596498|17.634926|7.102281|6.649974|7.203400|0.126536|0.121227|5.917569|6.203781|4.074107|6.692907|4.559458|2.703592|2.416174|14.180159|1.788134|1.835453|1.585804|1.751341|6.835274|3.458750|3.474801|2.940289|2.589837|2.584446|2.922119|0.097894|0.135281|0.098418|0.125407|0.079954|0.083697|0.080004|0.139292|0.129611|0.303663|0.500000| |4.072080|4.530633|3.523203|4.330086|0.115393|5.282919|8.087372|9.676774|6.774842|6.666462|0.137385|8.754080|7.194814|17.578252|9.022174|7.644666|0.127221|0.144583|4.890724|5.489247|5.532557|9.341063|5.915868|3.482154|2.873326|16.867629|2.017556|2.036119|1.794658|1.921307|5.946746|2.912566|2.705599|2.342137|2.186612|2.292706|2.628768|0.107229|0.125611|0.093303|0.160767|0.083922|0.096315|0.093788|0.208002|0.136151|0.142509|0.196290|0.500000| |2.981601|3.305530|2.793139|3.268950|0.091479|3.803330|6.018218|6.806131|5.478329|6.947731|0.143536|8.782686|5.526588|17.627576|8.937021|9.405280|0.144956|0.208385|5.608117|6.641772|7.175067|14.845016|6.827008|4.122528|3.393292|19.629453|2.310624|2.376811|2.034199|2.139211|4.728733|2.428064|2.291735|2.057233|1.956451|2.039751|2.266486|0.080011|0.088861|0.071692|0.110279|0.068118|0.078887|0.075127|0.160368|0.118234|0.122971|0.141543|0.303306|0.500000| |3.329212|3.287889|2.637148|3.276467|0.084240|4.167433|7.518945|6.651208|4.093218|4.389370|0.105968|6.595541|6.402721|8.698822|17.634292|12.449252|0.223068|0.181134|7.042263|5.732557|3.693381|6.727770|4.077865|2.552489|2.275994|13.788765|1.727668|1.790560|1.555744|1.649011|4.955811|2.504180|2.475067|2.175151|1.978771|1.994566|2.216428|0.087779|0.108958|0.080513|0.102972|0.066515|0.070236|0.070772|0.110553|0.093151|0.141648|0.229615|0.214041|0.173211|0.500000| |2.962321|2.986389|2.496864|2.851683|0.075488|3.354163|5.764269|5.353817|3.687252|4.036969|0.095114|5.435914|4.563948|8.788586|17.627581|12.357443|0.223936|0.222419|5.590226|4.875779|3.786241|7.344475|4.185411|2.709935|2.377137|14.669922|1.805275|1.867874|1.639238|1.689145|4.308859|2.181384|2.110302|1.882747|1.754187|1.795205|1.987998|0.081462|0.092273|0.071371|0.096075|0.062186|0.067441|0.068769|0.105840|0.084705|0.104716|0.139614|0.212258|0.218104|0.301404|0.500000| |2.593682|2.641494|2.199830|2.836586|0.075373|3.631293|6.706404|5.872248|3.716645|4.411856|0.118807|6.635848|6.377129|5.746423|7.052096|12.436059|0.222302|0.181022|17.618737|8.712494|3.631898|6.661764|3.972724|2.484939|2.333841|13.908789|1.801065|1.918227|1.599842|1.732594|4.454942|2.386901|2.455825|2.238322|2.029708|1.990732|2.137089|0.066931|0.081796|0.065850|0.079082|0.056968|0.059998|0.057842|0.092884|0.089008|0.175084|0.194976|0.129893|0.131571|0.215248|0.144708|0.500000| |2.161890|2.239770|1.930596|2.378603|0.065035|2.879874|5.130569|4.658097|3.229061|4.045801|0.111495|5.442154|4.528979|4.863317|5.588674|12.354214|0.224017|0.222110|17.627165|8.776098|3.658779|7.167949|3.982454|2.568919|2.485191|14.881899|1.951664|2.135148|1.727177|1.847573|3.763772|2.047817|2.085982|1.949533|1.811724|1.786693|1.888405|0.056759|0.066079|0.055295|0.067293|0.050024|0.053528|0.051198|0.082134|0.079254|0.126532|0.124858|0.107607|0.125968|0.144719|0.126484|0.301037|0.500000| |2.363691|2.586792|2.237270|2.779618|0.079041|3.327122|5.509637|5.867857|4.561688|7.007846|0.187518|8.846508|5.481058|6.678037|5.643763|9.461791|0.145455|0.210447|8.916324|17.597310|6.690732|14.139104|6.300196|3.822243|3.621285|20.032839|2.523155|2.756700|2.150940|2.359309|4.228544|2.301236|2.267667|2.111241|2.006393|2.029389|2.165564|0.061750|0.070553|0.059585|0.079865|0.056864|0.063717|0.058730|0.113402|0.108702|0.145473|0.130680|0.137176|0.191190|0.131794|0.126932|0.173003|0.216356|0.500000| |2.470493|2.684296|2.283684|3.027111|0.085091|3.807010|6.497455|6.688443|4.730389|6.745300|0.214174|8.787354|6.993069|5.483022|4.882202|7.644348|0.127089|0.145039|8.994166|17.565367|5.192524|9.070172|5.403852|3.210731|3.097476|17.298779|2.247120|2.424701|1.924458|2.183218|4.676049|2.600587|2.642749|2.469328|2.298434|2.270190|2.400486|0.062995|0.074711|0.063180|0.080431|0.058967|0.064470|0.058851|0.109469|0.116081|0.221793|0.158348|0.123196|0.136719|0.129036|0.107584|0.212796|0.212136|0.303449|0.500000| |2.711183|3.374548|3.166649|3.715771|0.123235|3.749135|5.491491|6.363738|7.196191|7.493419|0.195178|4.693334|4.041384|4.089635|3.092960|3.917505|0.069392|0.082228|3.006460|3.894067|9.425320|10.878909|26.070498|9.021184|6.403877|29.707088|3.291352|3.094146|2.689961|3.292433|5.400281|2.984116|2.669638|2.489524|2.543533|2.809404|3.076525|0.070312|0.074381|0.068605|0.104616|0.078197|0.100289|0.080119|0.194426|0.223586|0.105184|0.092991|0.113425|0.119820|0.079125|0.078687|0.077397|0.075580|0.113056|0.104989|0.500000| |2.192368|2.552477|2.438633|2.575371|0.078598|2.635443|4.102192|4.289375|4.022832|4.662038|0.115662|3.745867|3.013882|3.791555|3.017421|3.948866|0.070652|0.088485|2.823231|3.426036|7.324694|13.465434|12.561205|17.655227|8.835443|46.740444|4.171363|3.878734|3.454970|3.586194|3.892547|2.102250|1.936474|1.819316|1.833919|1.972421|2.124256|0.059439|0.060734|0.055260|0.080435|0.060433|0.074249|0.065630|0.120299|0.106419|0.077259|0.074384|0.100816|0.126155|0.073582|0.081133|0.069974|0.073271|0.108627|0.087056|0.181502|0.500000| |2.232070|2.667769|2.642428|2.726352|0.086155|2.672777|4.102199|4.231875|4.067426|4.268556|0.110283|3.292349|2.831350|3.204773|2.578969|3.321790|0.060287|0.071861|2.435731|2.940222|5.831059|9.021139|12.579644|17.607789|8.823932|46.981480|4.214685|3.605550|3.474406|3.953228|4.145234|2.267620|2.048963|1.938352|1.997280|2.197262|2.363029|0.060121|0.060545|0.056888|0.082451|0.065692|0.083295|0.070207|0.121964|0.116128|0.073717|0.069506|0.088902|0.099406|0.065123|0.068839|0.062204|0.063120|0.088758|0.077644|0.227588|0.302590|0.500000| |1.927551|2.242261|2.173786|2.406655|0.075260|2.447068|3.854515|3.871824|3.552590|4.055028|0.118138|3.143567|2.722471|2.832413|2.356188|3.196725|0.058235|0.069037|2.467292|3.037271|5.204044|8.277324|9.532914|8.864056|17.588110|56.006116|6.220700|5.351951|4.263749|6.431939|3.776839|2.149473|2.008032|1.959408|2.034381|2.180204|2.247795|0.051063|0.053233|0.050106|0.067025|0.055830|0.066787|0.056816|0.095840|0.104833|0.074626|0.065994|0.075190|0.085241|0.060246|0.061401|0.062661|0.065755|0.093480|0.084437|0.185209|0.173822|0.211875|0.500000| |1.900595|2.170819|2.054943|2.297539|0.069948|2.414004|3.847840|3.907539|3.514543|4.372852|0.124185|3.522987|2.876946|3.211232|2.675172|3.740893|0.067376|0.083343|2.867728|3.572527|6.165617|11.298019|9.497441|8.891318|17.611324|55.959095|6.093424|6.394494|4.238877|5.126200|3.577442|2.003353|1.897944|1.832600|1.858262|1.955859|2.035481|0.050627|0.053321|0.048947|0.065892|0.052458|0.061811|0.054298|0.094911|0.097244|0.078082|0.070004|0.081958|0.100380|0.066705|0.069661|0.070503|0.077350|0.117317|0.096622|0.157138|0.213661|0.173944|0.300847|0.500000| |1.455724|1.605573|1.547002|1.664801|0.049387|1.731365|2.854360|2.669884|2.228822|2.580014|0.072956|2.324562|1.999453|2.224682|2.005147|2.879890|0.054177|0.064397|2.162756|2.452905|3.131483|6.048688|4.459293|3.935648|5.298360|45.836201|8.767572|17.579298|6.915337|5.491344|2.682660|1.507291|1.451577|1.422418|1.443985|1.498136|1.532056|0.039358|0.040833|0.038029|0.047831|0.040207|0.045729|0.041641|0.061179|0.061542|0.054938|0.050903|0.057434|0.068272|0.050790|0.053838|0.054015|0.060884|0.078212|0.066942|0.081801|0.110614|0.096717|0.128071|0.167580|0.500000| |1.364003|1.502139|1.456024|1.575636|0.046863|1.630218|2.702191|2.480316|2.050077|2.328879|0.067494|2.091175|1.849028|1.962064|1.779553|2.547899|0.048264|0.055844|1.951084|2.205851|2.707477|5.007019|3.905524|3.301607|4.429279|36.054393|8.840810|17.535559|6.957347|6.908556|2.572996|1.465690|1.420149|1.410651|1.444753|1.491916|1.502941|0.036699|0.038165|0.035967|0.044165|0.038228|0.043075|0.038971|0.055560|0.057724|0.051630|0.047066|0.051120|0.058751|0.045836|0.047448|0.049520|0.055084|0.068580|0.061764|0.074570|0.088281|0.084098|0.119883|0.132953|0.300950|0.500000| |1.549661|1.725502|1.652876|1.827272|0.054740|1.911766|3.136775|2.972994|2.509288|2.956372|0.086747|2.582735|2.226937|2.371726|2.102063|3.019787|0.056190|0.066606|2.342087|2.743878|3.562111|6.605449|5.143675|4.364436|6.543378|44.256328|8.728689|17.561394|5.491549|6.881216|2.941745|1.673594|1.616794|1.595816|1.627768|1.684762|1.709143|0.041427|0.043522|0.040582|0.051153|0.043067|0.049101|0.043919|0.067232|0.070485|0.062174|0.055706|0.060989|0.071642|0.053620|0.055314|0.058597|0.065680|0.087394|0.076923|0.095828|0.113685|0.104809|0.172579|0.223043|0.300906|0.302594|0.500000| |1.369811|1.523977|1.525262|1.560479|0.046868|1.556879|2.547590|2.328974|1.956595|2.101796|0.058653|1.856999|1.668405|1.806828|1.619053|2.221996|0.042194|0.048332|1.646455|1.847049|2.470932|4.434071|3.802853|3.471078|4.235601|47.557231|8.746565|5.499621|17.569082|6.918968|2.547201|1.435554|1.358211|1.338057|1.388639|1.470861|1.497934|0.037329|0.037607|0.036111|0.044865|0.039896|0.045809|0.041337|0.055077|0.055642|0.045530|0.042798|0.048683|0.054411|0.041802|0.044020|0.042426|0.045199|0.056007|0.050555|0.073847|0.093229|0.098359|0.113213|0.105849|0.140941|0.141502|0.122427|0.500000| |1.284485|1.415746|1.401211|1.461784|0.043579|1.478015|2.441958|2.212160|1.831676|1.999517|0.056615|1.793177|1.611682|1.726350|1.566969|2.188694|0.041753|0.047664|1.638799|1.826792|2.315948|4.211837|3.449865|3.017266|3.778026|36.931547|8.838615|6.939685|17.550011|6.958643|2.399886|1.360373|1.303060|1.291907|1.334934|1.396003|1.410125|0.034875|0.035534|0.033964|0.041512|0.036844|0.041689|0.037849|0.050781|0.051888|0.044445|0.041423|0.045980|0.051698|0.040550|0.042410|0.042143|0.045598|0.055639|0.050478|0.066881|0.081410|0.081948|0.102288|0.101403|0.170736|0.209414|0.141435|0.301426|0.500000| |1.357202|1.497705|1.478309|1.528188|0.045462|1.548050|2.546207|2.336804|1.949607|2.144490|0.059518|1.928131|1.703624|1.892009|1.710388|2.383001|0.045312|0.052535|1.753967|1.954212|2.555287|4.760192|3.798200|3.462430|4.252388|47.445868|8.746811|6.929331|17.570741|5.500643|2.482133|1.390041|1.324065|1.297901|1.331204|1.397723|1.430560|0.037055|0.037574|0.035608|0.044401|0.038520|0.043974|0.040193|0.054794|0.054431|0.046374|0.043854|0.050278|0.057672|0.043759|0.046686|0.044704|0.048614|0.060242|0.053034|0.071666|0.097521|0.093100|0.106687|0.113905|0.207407|0.172014|0.140720|0.300973|0.301288|0.500000| |1.576538|1.784673|1.751968|1.909882|0.058499|1.935089|3.138683|2.947154|2.528846|2.797550|0.082909|2.350255|2.115063|2.143173|1.873442|2.593584|0.048407|0.055696|2.012386|2.363840|3.250141|5.515171|5.152313|4.381288|6.437743|44.295016|8.723937|6.869089|5.491590|17.562708|3.105862|1.796163|1.711714|1.711418|1.794510|1.890859|1.891287|0.041967|0.043568|0.041672|0.052168|0.045993|0.053017|0.046149|0.067935|0.074470|0.059278|0.052642|0.056976|0.063274|0.048691|0.049301|0.051803|0.055087|0.071665|0.067161|0.103947|0.104134|0.116489|0.227839|0.161949|0.140248|0.170159|0.204952|0.140673|0.141561|0.122410|0.500000| |1.381938|1.540108|1.521318|1.627084|0.049128|1.644650|2.703858|2.465839|2.060816|2.250319|0.065688|1.963847|1.784697|1.828324|1.636102|2.279311|0.043122|0.049014|1.750610|1.996434|2.564671|4.485207|3.909345|3.308003|4.396869|36.047547|8.838921|6.916804|6.949129|17.535384|2.679432|1.545070|1.482684|1.487993|1.556436|1.627785|1.620882|0.037064|0.038196|0.036709|0.044801|0.040200|0.045604|0.040477|0.055949|0.059834|0.049974|0.045205|0.048716|0.053920|0.042683|0.043532|0.045274|0.048465|0.060260|0.056445|0.078166|0.083604|0.089664|0.134360|0.116010|0.141036|0.207722|0.170808|0.171277|0.209731|0.141519|0.302696|0.500000| |1.491684|1.684898|1.686495|1.769758|0.054105|1.758397|2.853760|2.635367|2.248326|2.403829|0.069093|2.051392|1.865469|1.926514|1.696771|2.318329|0.043628|0.049762|1.761481|2.025435|2.785176|4.761820|4.458692|3.945462|5.189974|45.772101|8.768086|5.491824|6.929185|17.582495|2.894419|1.661335|1.568561|1.563071|1.647353|1.754425|1.762499|0.040092|0.040852|0.039513|0.049169|0.044329|0.051249|0.044886|0.061967|0.065976|0.051616|0.047069|0.052015|0.057061|0.044184|0.045299|0.045667|0.048023|0.060796|0.056637|0.090279|0.096663|0.112919|0.163749|0.123123|0.122694|0.141032|0.140337|0.207461|0.171702|0.141003|0.301000|0.301019|0.500000| |4.051354|4.085449|3.453504|5.528580|0.131980|5.867487|12.517976|5.917813|3.520486|2.968292|0.084287|2.972960|3.846301|2.641156|2.452452|3.033640|0.058138|0.057096|2.422905|2.600071|2.426142|3.853399|3.176352|1.988957|1.844750|11.242440|1.465701|1.459512|1.320463|1.505557|13.067343|8.971058|17.758989|8.850799|5.622585|4.949473|5.651984|0.091692|0.117397|0.123228|0.098191|0.101864|0.089838|0.082038|0.087966|0.101755|0.113143|0.106423|0.078033|0.065120|0.074195|0.061773|0.073283|0.060773|0.064235|0.075621|0.070198|0.052385|0.054372|0.053099|0.051145|0.039404|0.038332|0.043620|0.036354|0.035016|0.035744|0.045277|0.039436|0.041451|0.500000| |2.697496|2.812327|2.580609|3.544676|0.095512|3.628257|6.912594|4.264116|2.791443|2.498692|0.073967|2.425749|2.918677|2.126524|1.982099|2.555626|0.049260|0.048963|2.073397|2.239470|2.119492|3.390925|2.836237|1.815728|1.739981|10.689985|1.429358|1.425199|1.287682|1.496210|7.513850|5.664293|8.936836|17.717942|8.915236|5.650138|4.954905|0.065088|0.076123|0.080028|0.070814|0.076063|0.070453|0.062939|0.069631|0.083721|0.089352|0.078052|0.060838|0.054050|0.058435|0.050296|0.061538|0.053640|0.056647|0.066970|0.062955|0.047278|0.049751|0.051002|0.048240|0.038054|0.037874|0.042645|0.035437|0.034489|0.034547|0.045215|0.039630|0.041170|0.213519|0.500000| |2.357656|2.570555|2.506148|3.168141|0.091824|3.012136|5.283929|3.714822|2.625945|2.348675|0.069985|2.171541|2.473917|1.919016|1.752856|2.270553|0.043530|0.044385|1.819336|2.006657|2.065601|3.274556|2.873231|1.868984|1.810900|11.197867|1.507970|1.479095|1.357985|1.612954|6.496089|4.958483|5.635217|8.906725|17.723692|8.909509|5.641192|0.058218|0.064216|0.069110|0.065343|0.074285|0.071222|0.061066|0.066539|0.082161|0.073921|0.064404|0.054887|0.050017|0.050366|0.044995|0.052458|0.047500|0.052200|0.059634|0.065010|0.047879|0.052111|0.054158|0.049337|0.039023|0.039435|0.044081|0.037685|0.036441|0.036033|0.048916|0.042750|0.044907|0.123664|0.214790|0.500000| 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