Version2.0 2019-11-21T11:50:54Z Gaussian16 RevisionB.01 PWARBURT 16-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC[NH+](C[C@@H](COCc1ccco1)O)CC(=O)N2CCc3c(ccs3)[C@@H]2COc4ccc(cc4)F C36309797 RHF 6-31G(d) (6D,7F) CCC[NH+](C[C@@H](COCc1ccco1)O)CC(=O)N2CCc3c(ccs3)[C@@H]2COc4ccc(c C01[X(C27H34F1N2O5S1)] 204 C1 612 CCC[NH+](CC(=O)N1CCc2c([C@@H]1COc1ccc(cc1)F)ccs2)C[C@@H](COCc1ccco1)O CCC[NH](CC(=O)N1CCc2c([C@@H]1COc1ccc(cc1)F)ccs2)C[C@@H](COCc1ccco1)O CCC[NH](C[C@H](O)COCc1occc1)CC(=O)N2CCc3sccc3[C@@H]2COc4ccc(F)cc4 InChIKey=XFDNGWOVBPPCAB-OFVILXPXSA-N InChI=1S/C27H34FN2O5S/c1-2-11-29(15-21(31)17-33-18-23-4-3-13-34-23)16-27(32)30-12-9-26-24(10-14-36-26)25(30)19-35-22-7-5-20(28)6-8-22/h3-8,10,13-14,21,25,29,31H,2,9,11-12,15-19H2,1H3/t21-,25-/m0/s1 InChI=1/C27H34FN2O5S/c1-2-11-29(15-21(31)17-33-18-23-4-3-13-34-23)16-27(32)30-12-9-26-24(10-14-36-26)25(30)19-35-22-7-5-20(28)6-8-22/h3-8,10,13-14,21,25,29,31H,2,9,11-12,15-19H2,1H3/t21-,25-/m0/s1 CCC[NH+](C[C@@H](COCc1ccco1)O)CC(=O)N2CCc3c(ccs3)[C@@H]2COc4ccc(c C01[X(C27H34F1N2O5S1)] 204 C01 612 CCC[NH+](CC(=O)N1CCc2c([C@@H]1COc1ccc(cc1)F)ccs2)C[C@@H](COCc1ccco1)O CCC[NH](CC(=O)N1CCc2c([C@@H]1COc1ccc(cc1)F)ccs2)C[C@@H](COCc1ccco1)O CCC[NH](C[C@H](O)COCc1occc1)CC(=O)N2CCc3sccc3[C@@H]2COc4ccc(F)cc4 InChIKey=XFDNGWOVBPPCAB-OFVILXPXSA-N InChI=1S/C27H34FN2O5S/c1-2-11-29(15-21(31)17-33-18-23-4-3-13-34-23)16-27(32)30-12-9-26-24(10-14-36-26)25(30)19-35-22-7-5-20(28)6-8-22/h3-8,10,13-14,21,25,29,31H,2,9,11-12,15-19H2,1H3/t21-,25-/m0/s1 InChI=1/C27H34FN2O5S/c1-2-11-29(15-21(31)17-33-18-23-4-3-13-34-23)16-27(32)30-12-9-26-24(10-14-36-26)25(30)19-35-22-7-5-20(28)6-8-22/h3-8,10,13-14,21,25,29,31H,2,9,11-12,15-19H2,1H3/t21-,25-/m0/s1 3932.6361424502 -2022.14956 1-A 32762.8573 137 475 612 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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| 6.2351 12.3989 13.4139 19.8041 28.0903 32.6501 35.1394 44.1297 49.5389 57.6405 64.6601 71.4953 74.8087 92.3157 102.4787 113.5874 115.4126 141.3208 152.0866 166.8777 180.7511 185.8542 195.9968 210.7247 229.8900 237.7766 264.7971 272.4137 277.7953 296.3018 320.9829 334.2063 345.1012 353.0113 373.3194 388.2742 398.0352 418.8094 428.2619 440.8343 462.3324 472.8269 486.7264 517.5525 518.7059 530.1271 542.5130 551.0090 579.1125 591.4731 599.7468 610.3757 626.7141 658.0752 665.3264 677.2501 687.3261 699.7026 710.3118 718.5224 769.8931 775.2616 789.0371 813.4458 826.3122 832.2393 841.7489 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 ********** ********* ********* 1.00000 -0.00004 -0.00267 0.00001 0.99996 -0.00886 0.00267 0.00886 0.99996 1 0.00564 0.00182 0.00147 0.11759 0.03792 0.03055 8.97 17.84 19.30 28.49 40.42 46.98 50.56 63.49 71.28 82.93 93.03 102.87 107.63 132.82 147.44 163.43 166.05 203.33 218.82 240.10 260.06 267.40 282.00 303.19 330.76 342.11 380.98 391.94 399.69 426.31 461.82 480.85 496.52 507.90 537.12 558.64 572.68 602.57 616.17 634.26 665.19 680.29 700.29 744.64 746.30 762.73 780.56 792.78 833.21 851.00 862.90 878.19 901.70 946.82 957.26 974.41 988.91 1006.72 1021.98 1033.79 1107.70 1115.43 1135.25 1170.37 1188.88 1197.41 1211.09 1249.38 1282.28 1290.86 1306.56 1321.82 1363.76 1373.91 1377.96 1383.50 1391.66 1394.20 1398.03 1407.56 1437.67 1465.47 1479.67 1489.40 1491.32 1509.01 1516.82 1537.80 1549.34 1558.99 1572.71 1589.08 1596.57 1597.74 1622.03 1630.74 1635.46 1667.88 1676.73 1689.97 1704.99 1721.20 1738.71 1740.09 1748.95 1761.95 1805.09 1806.27 1835.41 1836.10 1847.85 1851.87 1865.20 1872.78 1895.97 1923.89 1931.24 1939.08 1947.78 1962.99 1986.91 2006.00 2008.62 2012.80 2028.00 2040.19 2042.32 2051.41 2068.90 2074.49 2090.85 2117.52 2126.63 2128.86 2135.97 2158.72 2186.29 2212.42 2216.54 2228.32 2239.74 2245.18 2250.26 2261.61 2263.42 2273.64 2279.74 2292.58 2331.87 2346.14 2348.14 2356.60 2362.89 2364.37 2373.99 2378.06 2379.62 2388.05 2393.20 2395.87 2403.30 2408.03 2409.15 2445.26 2452.44 2586.50 2589.78 2627.59 2634.21 2720.35 4579.42 4609.01 4615.96 4628.72 4629.48 4636.05 4639.70 4656.24 4683.76 4685.54 4692.32 4707.76 4712.14 4728.20 4728.67 4730.94 4741.15 4744.60 4749.95 4805.40 4807.52 4825.36 4837.06 4876.07 4886.20 4886.49 4902.06 4908.87 4947.79 4961.47 4967.76 5015.02 5151.99 5824.88 0.631676 0.664385 0.665330 0.559010 -2021.517884 -2021.485175 -2021.484231 -2021.590550 3.565957D-04 MUNgauss RevisionA1.9 retrievium 21-Nov-2019 DUDE CCC[NH+](C[C@@H](COCc1ccco1)O)CC(=O)N2CCc3c(ccs3)[C@@H]2COc4ccc(cc4)F C36309797 RHF 6-31G(d) (6D,10F) C1 517.217212 |X|Y|Z| 85.228024 155.620559 35.793772 78.010360 30 6 7 8 16 24 2 3 1 |36.858105| |12.438271|36.858105| |7.607929|12.494210|36.858105| |4.897040|7.424236|12.587761|53.358707| |4.217468|5.653483|9.461360|25.511071|0.500000| |4.211416|6.182697|7.487466|17.323615|0.260455|36.858105| |3.970232|5.248351|6.304735|10.444676|0.203757|12.508648|36.858105| |4.647794|6.041486|6.741125|9.097934|0.170206|8.820380|17.545537|0.500000| |3.131493|3.881907|4.229006|6.771839|0.134518|7.540179|12.514091|0.249382|36.858105| |2.876913|3.358228|3.663527|5.439210|0.112657|5.172283|8.259810|0.207921|13.716695|73.516695| |2.388639|2.715193|2.890515|4.278624|0.088678|3.908786|5.244397|0.134986|8.020308|24.003951|36.858105| |2.193282|2.409974|2.578732|3.695071|0.077915|3.170889|4.127831|0.111287|5.234576|14.367354|12.833318|36.858105| 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|2.526325|2.732678|2.940072|4.184373|0.083894|2.573758|2.200730|0.058818|1.931571|3.109700|1.574597|1.458963|1.336027|1.285434|1.364283|2.636050|3.983198|3.874046|4.759257|7.119531|9.371790|7.770746|12.703156|36.858105| |2.473790|2.679576|3.003424|4.325789|0.089887|2.621888|2.270292|0.060167|1.981154|3.211673|1.622947|1.512194|1.378778|1.335312|1.429334|2.762570|4.218993|3.922344|5.273859|8.290031|10.610938|6.822478|7.573136|14.164329|36.858105| |2.167575|2.284650|2.532396|3.567776|0.074910|2.219149|1.979114|0.052850|1.751463|2.886467|1.473695|1.389997|1.277106|1.247286|1.333932|2.551527|3.704120|3.060267|3.895762|6.582199|6.789673|4.522742|5.068248|8.216856|13.215295|36.858105| |2.035514|2.115225|2.277019|3.160345|0.065195|2.001724|1.791973|0.048274|1.601391|2.645167|1.358735|1.283291|1.187327|1.158171|1.229603|2.340491|3.303663|2.690387|3.237885|5.397467|5.479429|3.969538|4.823086|7.714502|8.232876|14.195043|36.858105| 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|17.563170|8.755642|6.872816|6.214873|0.112477|3.742383|3.467673|0.107869|2.771087|4.556170|2.160561|2.005394|1.855027|1.747697|1.814178|3.511281|5.830918|4.170582|3.791378|6.589669|4.527918|3.066698|3.057207|2.768026|2.703485|2.369214|2.228764|16.969739|2.896330|0.085935|2.422691|3.940348|1.931612|1.779283|1.586264|1.523885|1.612392|1.818489|3.108089|0.301320|0.500000| |17.593367|8.821210|5.524809|5.507645|0.097327|3.696677|3.490290|0.112647|2.886292|4.727871|2.252956|2.068798|1.932825|1.788788|1.822795|3.530172|5.516432|3.642761|3.127428|5.348884|3.783391|2.677116|2.640430|2.349064|2.263834|2.000894|1.907465|14.669079|2.407757|0.069443|2.086016|3.486150|1.741621|1.631894|1.471615|1.411771|1.477803|1.642038|2.905462|0.302142|0.301976|0.500000| |8.877175|17.570168|8.825110|9.057719|0.143375|6.758406|6.033658|0.207307|4.509818|6.795161|3.041002|2.643936|2.375136|2.134829|2.201336|4.438165|8.270211|5.139714|3.876509|6.572411|4.375539|3.051970|2.781703|2.420982|2.378281|2.052594|1.909260|14.545646|2.659688|0.075686|2.356831|3.958004|1.980290|1.842737|1.657024|1.593070|1.675457|1.870252|3.261022|0.210915|0.173139|0.214767|0.500000| |8.867881|17.547944|8.793224|9.257505|0.142134|5.692292|4.477792|0.133696|3.500340|5.307139|2.481467|2.194049|1.984508|1.821336|1.892791|3.767998|6.825652|6.509101|4.724163|7.410320|5.445394|3.900368|3.616969|3.005260|2.863773|2.400373|2.240899|17.590478|3.159363|0.088565|2.672224|4.500656|2.190557|2.038862|1.799274|1.703271|1.784225|2.019533|3.449759|0.173047|0.211269|0.213838|0.303485|0.500000| |6.995117|8.792980|17.642951|12.479148|0.228546|5.573721|4.792109|0.137606|3.476857|5.516947|2.529725|2.306206|2.057025|1.942044|2.079667|4.139080|8.677441|7.387207|6.879340|12.707288|6.842851|4.087798|3.673295|3.325964|3.441277|2.871912|2.553112|18.876285|4.105508|0.126067|3.350013|5.212287|2.483832|2.207150|1.930663|1.864591|2.016337|2.341226|3.733513|0.173680|0.207605|0.141846|0.172919|0.207186|0.500000| |6.833346|8.806515|17.657127|12.440180|0.239517|6.802626|7.068584|0.227085|4.546731|7.336502|3.161180|2.862018|2.510083|2.338952|2.514462|5.100745|12.670322|5.661851|4.881591|9.522596|5.047938|3.169206|2.823163|2.587021|2.684568|2.324864|2.091400|15.267438|3.165040|0.095315|2.796932|4.447121|2.204271|1.978675|1.770274|1.733760|1.874243|2.129818|3.518720|0.203423|0.166775|0.140427|0.212877|0.172757|0.304329|0.500000| |4.457062|6.831247|6.752130|12.272551|0.181043|17.644226|8.740160|0.214759|6.567206|8.197108|3.626527|2.940136|2.529249|2.236759|2.349686|4.923566|10.323064|6.869955|4.519703|7.370664|4.953512|3.502075|2.943508|2.516900|2.499574|2.118470|1.941336|14.739453|2.896684|0.079658|2.670077|4.597393|2.317601|2.158657|1.934630|1.853699|1.946479|2.177663|3.768203|0.113945|0.107105|0.112578|0.227369|0.184500|0.141203|0.162849|0.500000| |3.440213|4.687297|5.555884|12.507876|0.226516|17.620688|8.903912|0.174110|7.107563|8.629898|3.869995|3.108847|2.590146|2.322654|2.515682|5.397776|12.776944|7.324360|5.160112|8.657059|5.468479|3.710178|2.955842|2.587567|2.654218|2.240859|2.010969|14.929830|3.210785|0.087509|3.103392|5.339869|2.719439|2.484380|2.221738|2.151433|2.291989|2.586985|4.330303|0.091140|0.087758|0.085833|0.137419|0.126899|0.127581|0.142308|0.300754|0.500000| |3.134012|3.886537|3.943076|6.105422|0.115570|6.748722|8.793735|0.215843|17.499689|16.469209|6.946342|4.636206|3.757867|3.051800|3.139244|6.973367|10.129002|3.610984|2.930070|5.180361|3.391344|2.382823|2.079900|1.870926|1.891451|1.672603|1.544636|11.430375|2.152438|0.060007|2.087254|3.607236|1.905130|1.793228|1.666511|1.636545|1.716771|1.857840|3.409412|0.087918|0.076044|0.082346|0.130439|0.099035|0.090147|0.113997|0.190438|0.173462|0.500000| |2.782822|3.428738|3.801589|6.418600|0.131230|6.951822|8.846903|0.174638|17.506255|16.546508|7.305425|4.862579|3.694831|3.125647|3.409404|7.964669|12.641093|3.826811|3.211417|5.806952|3.670090|2.521715|2.144039|1.952933|2.013483|1.777597|1.618576|11.805364|2.346953|0.065297|2.344100|4.039688|2.157672|2.004766|1.867672|1.856308|1.971272|2.136347|3.850084|0.077904|0.070028|0.071464|0.106364|0.088739|0.089684|0.110093|0.163558|0.216520|0.299469|0.500000| |2.337229|2.642620|2.719660|3.971148|0.080322|3.642614|4.650821|0.124626|6.974420|16.475445|17.565652|9.022270|6.895274|4.642941|4.454160|10.231388|7.204658|2.475120|2.181501|3.972405|2.608147|1.824648|1.632326|1.512849|1.544716|1.403453|1.303378|9.481112|1.731766|0.048710|1.717007|2.962376|1.603773|1.517130|1.442750|1.442882|1.514324|1.601987|3.063444|0.067707|0.058352|0.062249|0.083433|0.067648|0.066080|0.081323|0.098048|0.099324|0.199172|0.172384|0.500000| |2.232025|2.559357|2.756228|4.211353|0.088171|3.853857|4.880881|0.119055|7.414106|16.560479|17.531534|8.978883|5.793109|4.499153|4.887460|12.669098|8.250018|2.634686|2.362036|4.356848|2.806669|1.939146|1.705630|1.591311|1.645405|1.492741|1.372491|9.890963|1.873174|0.052605|1.895117|3.265200|1.784630|1.674501|1.597934|1.614565|1.709613|1.805421|3.422626|0.064110|0.056755|0.058415|0.078386|0.066072|0.067757|0.082139|0.098096|0.111355|0.174942|0.227737|0.300259|0.500000| |1.982575|2.115341|2.169494|3.010734|0.061946|2.531645|3.101366|0.088124|3.726957|8.641859|6.350436|8.830962|17.794223|8.443672|5.857638|10.449404|5.269600|1.915224|1.757389|3.248687|2.138641|1.489087|1.364078|1.288756|1.320995|1.223666|1.143781|8.232769|1.459022|0.041505|1.446683|2.475395|1.347947|1.275558|1.223664|1.234315|1.297709|1.360782|2.647065|0.058754|0.050256|0.053227|0.064808|0.053967|0.054438|0.065843|0.068151|0.068049|0.102005|0.094933|0.191454|0.140492|0.500000| |1.748554|1.824308|1.919727|2.637887|0.055675|2.112268|2.529596|0.071175|2.802653|6.237877|4.042398|5.846484|8.439517|17.808317|8.830291|10.445029|4.628374|1.696934|1.612341|3.038282|1.976299|1.358507|1.253186|1.205988|1.250803|1.175112|1.095611|7.765396|1.379637|0.039651|1.380218|2.336715|1.280980|1.203768|1.161720|1.186330|1.258324|1.312823|2.556863|0.052216|0.045329|0.046443|0.054067|0.046595|0.049479|0.058720|0.055666|0.057218|0.073269|0.073981|0.105509|0.100513|0.193018|0.500000| |1.857238|1.968793|2.163802|3.037954|0.066335|2.395436|2.904738|0.078661|3.131824|7.002690|4.288942|6.038955|5.818635|8.622011|17.836735|16.491790|5.745186|1.934919|1.876900|3.625525|2.273905|1.531032|1.393568|1.352728|1.426147|1.339072|1.231387|8.618156|1.601916|0.046422|1.625834|2.715746|1.493515|1.381696|1.331640|1.376275|1.484332|1.555304|2.950770|0.055334|0.048697|0.048236|0.057308|0.050118|0.056199|0.066949|0.060858|0.065865|0.077145|0.085304|0.100717|0.113515|0.123143|0.195281|0.500000| |3.230599|3.806150|4.762067|7.235578|0.169959|6.023057|9.869770|0.222149|7.730166|15.136437|5.601622|4.963846|3.816727|3.512644|4.112129|9.549643|35.546689|3.861703|3.520985|7.054411|3.860006|2.486149|2.156675|2.027180|2.148059|1.917757|1.720559|12.247022|2.550890|0.074658|2.501716|4.070888|2.134105|1.919260|1.771777|1.786740|1.951062|2.155599|3.681918|0.095888|0.082057|0.078834|0.111873|0.091707|0.112925|0.160540|0.130861|0.153692|0.152043|0.189690|0.124201|0.145566|0.092864|0.082621|0.106839|0.500000| |3.534988|4.793990|5.626926|12.333127|0.208074|7.652634|4.841229|0.115992|3.955998|5.620489|2.683528|2.306873|2.009511|1.855623|1.991403|4.078144|8.060502|17.627292|8.827318|11.309153|9.170369|6.426886|4.447537|3.618179|3.634531|2.869976|2.543010|19.464399|4.539718|0.116199|4.115490|7.225940|3.412068|3.086088|2.617032|2.442482|2.585824|3.040233|4.775507|0.088593|0.095496|0.088002|0.124533|0.146460|0.146034|0.127075|0.194332|0.241777|0.104504|0.114432|0.070659|0.076414|0.053404|0.046826|0.053311|0.103160|0.500000| |4.737308|6.810283|7.400908|12.317054|0.185150|6.345120|4.370278|0.115168|3.449901|5.100943|2.419743|2.126184|1.890433|1.753171|1.858292|3.735202|7.149982|17.684613|8.690813|10.868169|9.369127|6.688606|5.241161|4.037833|3.865483|3.015101|2.720735|21.523499|4.557119|0.120832|3.711911|6.291456|2.918408|2.664519|2.269591|2.114535|2.227901|2.601773|4.179272|0.110525|0.131513|0.115270|0.155772|0.241040|0.203272|0.146601|0.181130|0.159788|0.093642|0.093621|0.064604|0.066823|0.050691|0.044658|0.049778|0.093161|0.302295|0.500000| |2.520553|2.934809|3.208149|5.123728|0.101489|3.253005|2.630265|0.067575|2.335857|3.632398|1.839013|1.661588|1.496378|1.420952|1.515682|2.986376|4.689342|5.263970|6.090906|8.155110|12.504486|17.651804|8.863319|6.872172|6.368872|4.444903|3.904389|31.693252|6.930917|0.141043|6.156220|13.824006|5.410163|5.046933|3.732375|3.178739|3.251054|4.021240|5.905690|0.063614|0.072843|0.065052|0.074499|0.090684|0.094759|0.077455|0.087775|0.096462|0.062764|0.067581|0.048967|0.052591|0.040004|0.036643|0.041425|0.065090|0.156049|0.142163|0.500000| |3.144895|3.853886|4.096573|6.654864|0.121781|4.104621|3.120600|0.080721|2.694994|4.088798|2.029501|1.806512|1.621514|1.520731|1.612377|3.202183|5.343682|7.885291|7.314060|8.883716|12.354106|17.647387|8.851412|5.613861|4.967883|3.618543|3.277208|27.331704|5.561488|0.128072|4.540496|8.574528|3.761010|3.523638|2.849420|2.534393|2.609851|3.103316|4.891218|0.076854|0.090071|0.080873|0.095939|0.126234|0.118999|0.093809|0.114824|0.118036|0.073408|0.076520|0.054392|0.057364|0.043550|0.039055|0.043617|0.072641|0.229202|0.243377|0.303478|0.500000| |2.554430|2.838088|2.891408|4.197922|0.080479|2.689039|2.236502|0.059738|1.993375|3.150937|1.602384|1.462901|1.340559|1.273475|1.339125|2.601578|3.896144|4.017793|4.264297|6.097639|7.663608|8.904959|17.561294|8.877305|5.742438|4.317816|4.360316|45.069241|4.822882|0.110910|3.903857|7.610784|3.422133|3.388236|2.750069|2.387782|2.393199|2.782890|4.654077|0.063079|0.075711|0.067753|0.071023|0.090615|0.086668|0.069515|0.075837|0.075587|0.054765|0.056072|0.043305|0.045051|0.036224|0.033142|0.036510|0.054903|0.109722|0.123825|0.219457|0.209687|0.500000| |3.229841|3.567659|3.634511|5.031483|0.094768|3.044558|2.514469|0.068194|2.168858|3.430405|1.713395|1.566714|1.433529|1.361449|1.433247|2.787897|4.383244|4.885967|5.258885|7.344012|9.195110|8.814706|17.520943|8.900732|6.128055|4.437325|4.303825|41.466346|5.396345|0.131839|3.929753|6.906208|3.069969|2.881851|2.388035|2.153229|2.221953|2.606775|4.225880|0.077694|0.099285|0.083992|0.085262|0.116515|0.113977|0.084620|0.085739|0.082500|0.059300|0.059897|0.046139|0.047612|0.038665|0.035371|0.039039|0.061107|0.121540|0.161244|0.173821|0.217437|0.302716|0.500000| |2.057723|2.159383|2.422809|3.415164|0.072991|2.136289|1.935411|0.051581|1.718214|2.856984|1.462854|1.389408|1.276785|1.254930|1.348133|2.569817|3.674656|2.851070|3.639112|6.438901|6.006205|3.848735|4.046189|5.718056|8.541536|17.742045|8.943921|37.722536|6.543924|0.180331|5.994155|8.747562|4.059428|3.412708|2.860369|2.742594|3.034874|3.726565|5.262188|0.054339|0.062135|0.052582|0.054252|0.062033|0.076023|0.062832|0.056095|0.060074|0.045280|0.048548|0.038521|0.041221|0.033858|0.032874|0.037807|0.053219|0.074506|0.076571|0.106522|0.088224|0.097796|0.101214|0.500000| |1.857654|1.908529|2.039391|2.809753|0.058078|1.804022|1.635966|0.044243|1.474001|2.453531|1.267968|1.204621|1.120080|1.096687|1.162013|2.198997|3.017514|2.341698|2.756285|4.681497|4.482708|3.249288|3.832048|5.421597|5.683660|8.785083|17.791462|55.342409|4.029500|0.106544|3.592482|6.123949|3.003751|2.808175|2.429165|2.260327|2.353208|2.695064|4.484941|0.048583|0.056307|0.048664|0.048227|0.055746|0.062964|0.052640|0.048694|0.050290|0.039553|0.041343|0.033838|0.035551|0.030004|0.028923|0.032399|0.044011|0.061842|0.065711|0.089640|0.076974|0.099646|0.097844|0.204633|0.500000| |2.114390|2.316091|2.698033|4.072594|0.090270|2.551263|2.283910|0.058993|2.028946|3.334320|1.703286|1.601633|1.447128|1.418811|1.545592|2.991767|4.441257|3.445471|4.661042|8.466948|7.604564|4.460776|3.935524|4.741440|6.861612|6.513032|4.544722|26.661314|8.886725|0.218344|17.556897|16.530943|7.147785|4.856757|3.853689|3.805784|4.619481|6.773666|6.849434|0.056180|0.062090|0.053463|0.058973|0.065988|0.082707|0.070196|0.065072|0.074296|0.052559|0.058665|0.044298|0.048759|0.038031|0.036793|0.043410|0.063668|0.093062|0.086710|0.131765|0.101873|0.095052|0.095545|0.207089|0.108090|0.500000| |2.367292|2.689953|3.258330|5.254203|0.121134|3.234480|2.833026|0.071147|2.476791|3.997033|2.012878|1.864872|1.656120|1.611237|1.772275|3.495599|5.627332|4.501276|6.504620|12.238885|9.577630|5.064774|3.964631|4.233778|5.500278|4.545047|3.491661|22.753483|8.897321|0.221110|17.570099|16.520011|6.987268|4.714347|3.758323|3.734783|4.569622|6.752668|6.741620|0.062940|0.068332|0.059090|0.068746|0.076062|0.098318|0.084353|0.079849|0.096779|0.063065|0.072680|0.051777|0.058092|0.043239|0.041327|0.049547|0.078866|0.123614|0.105620|0.147580|0.119823|0.094800|0.097952|0.130490|0.083783|0.301116|0.500000| 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