Version2.1 2020-12-28T04:11:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC3(CC2)C(=[NH+]CCN3)NCc4ccc(cc4)OC)C C65074654 RHF 6-31G(d) (6D,7F) Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC3(CC2)C(=[NH+]CCN3)NCc4ccc(cc4)OC)C C01[X(C25H35N4O3S1)] 198 C1 569 COc1ccc(cc1)CNC1=[NH+]CCNC21CCN(CC2)S(=O)(=O)c1c(C)cc(cc1C)C COc1ccc(cc1)CNC1=[NH+]CCNC21CCN(CC2)S(=O)(=O)c1c(C)cc(cc1C)C COc1ccc(CNC2=[NH+]CCNC23CCN(CC3)[S](=O)(=O)c4c(C)cc(C)cc4C)cc1 InChIKey=MGFYQGVSUMMFGG-UHFFFAOYSA-O InChI=1S/C25H34N4O3S/c1-18-15-19(2)23(20(3)16-18)33(30,31)29-13-9-25(10-14-29)24(26-11-12-28-25)27-17-21-5-7-22(32-4)8-6-21/h5-8,15-16,28H,9-14,17H2,1-4H3,(H,26,27)/p+1 InChI=1/C25H34N4O3S/c1-18-15-19(2)23(20(3)16-18)33(30,31)29-13-9-25(10-14-29)24(26-11-12-28-25)27-17-21-5-7-22(32-4)8-6-21/h5-8,15-16,28H,9-14,17H2,1-4H3,(H,26,27)/p+1/fC25H35N4O3S/h26-27H/q+1 Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC3(CC2)C(=[NH+]CCN3)NCc4ccc(cc4)OC)C C01[X(C25H35N4O3S1)] 198 C01 569 COc1ccc(cc1)CNC1=[NH+]CCNC21CCN(CC2)S(=O)(=O)c1c(C)cc(cc1C)C CO[C]1[CH][CH][C]([CH][CH]1)C[NH][C]1[NH]CCN[C@@]21CCN(CC2)[S]([O])([O])[C]1[C]([CH][C]([CH][C]1C)C)C CO[C]1[CH][CH][C]([CH][CH]1)CN[C]2NCCNC23CCN(CC3)[S]([O])([O])[C]4[C](C)[CH][C](C)[CH][C]4C InChIKey=QKQZYPUWYSBXAM-UHFFFAOYSA-N InChI=1S/C25H35N4O3S/c1-18-15-19(2)23(20(3)16-18)33(30,31)29-13-9-25(10-14-29)24(26-11-12-28-25)27-17-21-5-7-22(32-4)8-6-21/h5-8,15-16,26-28H,9-14,17H2,1-4H3 InChI=1/C25H35N4O3S/c1-18-15-19(2)23(20(3)16-18)33(30,31)29-13-9-25(10-14-29)24(26-11-12-28-25)27-17-21-5-7-22(32-4)8-6-21/h5-8,15-16,26-28H,9-14,17H2,1-4H3 3723.4112537297 -1806.713326 1-A 20085.2334 126 443 569 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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| 9.3815 16.1646 23.4918 31.3069 33.8837 35.1889 41.8672 56.7859 72.1555 87.5866 96.8536 110.4587 133.5058 173.7347 182.3701 186.1376 193.4174 203.1713 212.7159 225.8655 232.8439 241.9551 247.1059 252.1174 253.2156 263.5758 291.7648 295.6445 320.1018 324.1843 332.2933 345.3172 370.6167 372.1191 381.4306 422.8740 429.5899 453.6448 457.9848 466.7098 478.7716 497.4888 509.1534 527.6138 559.0728 568.7996 572.2380 582.1863 587.5233 595.8686 611.3664 614.1715 618.5839 627.7761 634.1317 659.6520 686.4990 698.9145 716.7494 744.9054 755.4801 788.9297 794.1050 799.5004 810.8644 814.1906 857.7078 890.6912 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292.32 306.05 324.97 335.01 348.12 355.53 362.74 364.32 379.23 419.78 425.37 460.56 466.43 478.10 496.83 533.23 535.40 548.79 608.42 618.08 652.69 658.94 671.49 688.85 715.78 732.56 759.12 804.38 818.38 823.32 837.64 845.32 857.32 879.62 883.66 890.00 903.23 912.37 949.09 987.72 1005.58 1031.24 1071.75 1086.97 1135.09 1142.54 1150.30 1166.65 1171.44 1234.05 1281.51 1319.68 1341.42 1368.79 1381.89 1387.35 1434.24 1442.36 1453.51 1463.08 1495.28 1511.05 1514.92 1541.77 1550.08 1570.90 1580.53 1592.69 1602.39 1622.79 1626.15 1630.81 1640.54 1650.16 1655.15 1682.06 1684.21 1687.48 1690.67 1698.12 1725.15 1750.39 1751.78 1787.94 1809.15 1821.40 1851.76 1852.54 1859.53 1869.86 1872.23 1889.83 1895.85 1907.82 1925.31 1932.78 1994.71 1996.38 2012.23 2015.19 2026.48 2031.30 2066.00 2085.08 2090.18 2110.95 2114.76 2118.73 2165.90 2174.56 2189.59 2197.99 2235.19 2251.84 2252.60 2255.76 2258.77 2263.85 2273.55 2280.59 2283.62 2288.50 2326.00 2346.51 2346.56 2349.28 2351.93 2354.86 2356.54 2366.27 2367.24 2375.79 2378.21 2382.07 2384.23 2392.62 2393.29 2398.13 2423.76 2447.34 2522.72 2523.55 2550.36 2587.82 2607.39 2618.99 4593.89 4607.61 4622.14 4626.85 4633.67 4641.21 4657.76 4663.19 4668.64 4670.51 4697.53 4706.25 4709.03 4719.26 4733.26 4740.18 4742.30 4752.24 4757.54 4757.94 4764.53 4777.19 4778.64 4788.14 4821.42 4821.59 4828.29 4832.47 4844.86 4860.49 4899.05 4915.41 5521.40 5539.49 5581.78 0.627549 0.657750 0.658695 0.562623 -1806.085777 -1806.055576 -1806.054631 -1806.150703 3.222271D-04 MUNgauss RevisionA2.0 retrievium 28-Dec-2020 DUDE Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC3(CC2)C(=[NH+]CCN3)NCc4ccc(cc4)OC)C C65074654 RHF 6-31G(d) (6D,10F) C1 471.242988 |X|Y|Z| 80.963816 109.864586 38.206681 69.785094 26 6 7 16 21 4 1 |36.858105| |12.628056|36.858105| |7.563374|13.793560|36.858105| |4.992528|7.826741|13.680689|36.858105| |4.431713|6.827518|7.960340|13.548796|36.858105| |5.011594|7.854597|6.854084|7.762481|13.485508|36.858105| |7.572069|13.716598|8.011696|6.823486|7.943643|13.785328|36.858105| |3.825156|5.041402|4.438177|4.917040|7.342581|12.567847|7.704308|36.858105| |3.136090|4.171672|4.704597|6.862046|10.718774|6.954013|4.737277|6.097180|388.023441| |2.829963|3.623258|4.337431|6.349205|7.215111|4.867913|3.782389|4.209053|94.650787|73.516695| |2.859252|3.660156|3.862669|5.005131|7.224291|6.182966|4.319181|6.561195|94.795680|13.773869|73.516695| |2.848829|3.642348|3.906756|5.089510|7.023107|5.798853|4.196046|5.758566|80.658362|13.458005|13.660162|53.358707| |2.803761|3.515418|3.898040|4.979342|5.867473|4.764020|3.799116|4.364552|51.344745|11.667458|8.929835|17.752445|36.858105| |2.539972|3.047159|3.209566|3.752172|4.293289|3.932146|3.319556|3.851461|34.080339|7.694895|6.886398|10.616225|12.476992|36.858105| |2.158813|2.532622|2.629529|3.039260|3.504440|3.292439|2.785692|3.437005|29.745058|6.802706|6.544206|8.905461|7.496502|12.276023|36.858105| |2.191856|2.599580|2.656449|3.102115|3.771325|3.631665|2.958507|4.066572|34.134209|7.266904|8.093435|10.624206|6.558948|7.584201|12.332469|36.858105| |2.364293|2.885475|3.025454|3.717463|4.729362|4.266601|3.294070|4.673866|51.435916|10.335121|12.038986|17.680192|7.799901|6.535688|7.489606|12.477152|36.858105| |1.983673|2.261541|2.294647|2.548371|2.869824|2.812318|2.477216|2.977666|22.774296|5.229427|5.214106|6.071066|4.921626|7.604590|12.409905|7.532154|4.896973|36.858105| |1.778600|1.994423|2.037846|2.239735|2.452041|2.380753|2.140455|2.477061|19.297042|4.593064|4.442963|4.829923|3.979119|5.546399|7.696325|5.268559|3.872470|14.537544|53.358707| |1.687986|1.868476|1.890251|2.046195|2.225714|2.193480|2.002019|2.293038|17.160553|4.072215|4.004944|4.165811|3.358234|4.483719|5.643825|4.339920|3.296311|9.613601|25.999377|0.500000| |1.671912|1.872322|1.947701|2.157794|2.319254|2.196399|1.976533|2.241336|18.568416|4.594885|4.245512|4.505431|3.788289|4.850442|6.411412|4.533901|3.632779|7.669999|17.633694|0.251424|36.858105| |1.811583|2.061891|2.190851|2.485329|2.661277|2.439751|2.162132|2.437103|21.910592|5.580080|4.844346|5.420035|4.853688|6.033634|7.736492|5.061824|4.311007|6.801299|10.678243|0.159134|12.596727|36.858105| |1.940162|2.250571|2.384566|2.767972|3.080835|2.810391|2.412878|2.867769|26.844018|6.648226|5.946234|7.178451|6.140592|7.532367|13.111536|7.864479|6.297940|7.923180|9.730991|0.144868|8.023773|13.166463|53.358707| |2.044930|2.312304|2.286085|2.487385|2.829540|2.889109|2.576902|3.145665|21.607941|4.813999|5.057976|5.611343|4.301608|6.227720|7.752256|6.477478|4.375830|14.543490|11.426277|0.216629|5.198498|4.648378|7.162373|53.358707| |1.864376|2.054123|2.008307|2.132540|2.372076|2.455392|2.262514|2.660689|17.613454|3.987504|4.192129|4.276461|3.263497|4.320158|4.915649|4.374687|3.284814|7.649527|9.111565|0.216327|4.422121|3.729453|5.306289|17.560073|36.858105| |1.933080|2.105969|2.010845|2.097418|2.344892|2.508598|2.351482|2.774181|16.916006|3.764155|4.093539|3.988690|2.945217|3.686643|3.919129|3.788156|2.993975|5.130915|6.022485|0.133941|3.298435|2.953040|4.276067|10.601733|12.653129|36.858105| |2.091094|2.248128|2.115651|2.162550|2.388920|2.593204|2.498360|2.810733|16.598522|3.689637|3.965885|3.837349|2.877654|3.544239|3.486240|3.318555|2.755602|4.265852|5.073531|0.110033|2.909429|2.692762|3.837888|7.993574|7.554277|13.639446|36.858105| |2.105761|2.221928|2.049809|2.059315|2.268524|2.517978|2.482255|2.755203|15.465037|3.423779|3.753680|3.454847|2.532676|2.966141|2.888620|2.856243|2.464830|3.331000|4.023649|0.086026|2.414568|2.276652|3.262048|5.819218|5.028307|7.903633|13.869760|36.858105| |1.955287|2.061201|1.898812|1.916196|2.127436|2.373820|2.322688|2.667446|14.712358|3.248705|3.657615|3.241098|2.313047|2.644915|2.658119|2.728844|2.366791|3.022112|3.672216|0.078453|2.233503|2.100663|3.046386|5.191792|4.430345|6.817126|7.929845|13.629167|36.858105| |1.824346|1.949721|1.821332|1.869488|2.095043|2.307736|2.203119|2.635703|14.920628|3.296505|3.754497|3.327478|2.345211|2.699228|2.831538|2.968457|2.509873|3.282203|3.981629|0.085736|2.392160|2.214356|3.247442|5.731478|5.014485|7.881156|6.872861|7.916287|13.721839|36.858105| |1.816916|1.969953|1.869697|1.948606|2.192034|2.368467|2.217193|2.687160|15.953834|3.536811|3.970960|3.672294|2.617328|3.122842|3.397853|3.506648|2.823935|4.182433|5.008558|0.109861|2.878435|2.597991|3.823663|7.818660|7.574263|13.768683|7.977088|6.899688|7.941040|13.726761|36.858105| |1.922875|1.990026|1.813838|1.805775|1.987320|2.235506|2.232206|2.498405|13.556239|3.004834|3.395672|2.905196|2.062855|2.293776|2.277129|2.352981|2.104332|2.511281|3.094136|0.065529|1.934764|1.842508|2.661613|4.128719|3.383157|4.617253|5.319562|8.234060|14.275812|7.894263|5.215931|73.516695| |1.759078|1.816978|1.662894|1.661172|1.828581|2.048439|2.035250|2.309355|12.617150|2.807808|3.211297|2.665396|1.869605|2.045242|2.063515|2.168201|1.959373|2.248611|2.797900|0.059133|1.775727|1.691383|2.451491|3.614857|2.919984|3.777515|3.986290|5.252802|8.005015|6.704457|4.506676|24.073931|36.858105| |3.826007|5.046025|7.712163|12.543575|7.295311|4.896689|4.424398|3.660698|41.859538|12.425462|7.698007|6.101603|4.698905|3.501818|2.891778|2.873157|3.453397|2.410412|2.951918|0.054804|2.150740|2.526659|3.758642|3.118736|1.974716|1.905536|1.943526|1.834437|1.710664|1.683553|1.769285|2.861652|1.489980|36.858105| |17.568052|8.852563|5.741799|4.217155|3.966877|4.663750|6.956846|3.764210|20.684008|4.617065|4.760692|3.740508|2.716588|2.536341|2.158706|2.183523|2.304487|2.017060|2.457611|0.047917|1.679183|1.798910|2.612659|2.871875|1.943554|2.043970|2.248447|2.294691|2.114328|1.942021|1.916050|3.723228|1.897020|3.305675|0.500000| |17.545280|8.890134|6.094395|4.371179|3.990167|4.538380|6.516383|3.621792|20.814008|4.712062|4.899113|3.556681|2.520670|2.284572|1.985751|2.043224|2.214049|1.829125|2.242272|0.043553|1.554085|1.676314|2.449529|2.566951|1.729287|1.798885|1.929178|1.958910|1.847469|1.732254|1.713234|3.260885|1.699675|3.459680|0.302252|0.500000| |17.593851|8.839722|7.203242|4.724126|3.962689|4.166996|5.596236|3.245432|20.634066|4.817132|4.637223|3.607449|2.679165|2.429522|2.059807|2.057164|2.212082|1.896864|2.340524|0.045360|1.631495|1.773195|2.552099|2.635455|1.773218|1.820297|1.967765|1.966694|1.817156|1.699052|1.701828|3.169944|1.631954|3.861906|0.301195|0.301839|0.500000| |7.036972|8.979721|17.731652|8.968931|5.661959|4.943328|5.684451|3.550030|27.653976|6.773640|5.791076|4.514512|3.413262|2.871549|2.379787|2.364857|2.655438|2.102519|2.583763|0.049137|1.834192|2.059551|2.994183|2.833634|1.852379|1.846771|1.946249|1.887510|1.747154|1.673556|1.716452|2.980923|1.541471|7.321041|0.147119|0.160780|0.220820|0.500000| |7.052265|8.942192|5.683886|4.926194|5.648883|8.986795|17.716227|7.270661|27.879140|5.656585|6.701817|4.956632|3.295498|3.014277|2.594479|2.774115|2.995809|2.368623|2.793276|0.053906|1.877333|2.017114|3.047935|3.422399|2.248523|2.391697|2.569993|2.618864|2.471744|2.312370|2.281007|4.290688|2.199960|3.540734|0.204794|0.180013|0.141817|0.124866|0.500000| |3.424611|4.365430|3.979002|4.466507|6.403312|8.846323|6.087314|17.621631|42.661368|7.463976|13.613042|7.046247|3.865836|3.373880|3.138056|3.795227|4.516077|2.715094|3.124152|0.059123|2.107976|2.290815|3.678807|3.846248|2.417287|2.501972|2.491585|2.453606|2.424818|2.433927|2.472812|4.078094|2.167314|3.472793|0.091840|0.093311|0.081833|0.090602|0.161589|0.500000| |3.928200|4.875984|4.035449|4.154229|5.520186|8.925948|7.562952|17.602844|32.342686|6.071118|8.554663|6.123005|3.679791|3.431785|3.090978|3.565654|3.840772|2.794996|3.193283|0.061268|2.102078|2.239778|3.514394|4.130457|2.642265|2.845314|2.943508|2.975423|2.903405|2.809649|2.785265|4.914816|2.545633|3.167987|0.111829|0.104253|0.090807|0.091742|0.239861|0.301185|0.500000| |3.318018|4.247705|3.934400|4.497900|6.599125|8.784987|5.849240|17.615951|45.833171|7.753785|11.997467|9.902087|5.127708|4.638095|4.188739|5.225184|5.924678|3.550051|3.891008|0.072698|2.541046|2.765509|4.555729|5.143802|3.077416|3.174075|3.145955|3.003438|2.895129|2.915924|3.050103|4.689594|2.418606|3.512626|0.091890|0.086036|0.080653|0.089643|0.152885|0.303505|0.301836|0.500000| |3.234077|4.168038|4.789245|6.246308|6.908699|5.346319|4.361103|4.465173|49.189984|11.301716|8.324976|12.461717|17.628420|8.943440|5.498033|4.926411|5.661434|4.118226|4.684965|0.083201|3.271929|4.032804|6.342868|5.147324|2.996834|2.779104|2.806181|2.507212|2.264760|2.248432|2.462254|3.632282|1.840994|5.699384|0.086252|0.078886|0.086400|0.114826|0.101720|0.107190|0.105567|0.138157|0.500000| |2.536936|3.112649|3.536554|4.522677|4.966963|3.957427|3.256909|3.628214|45.884525|12.595657|8.199912|12.273470|17.529495|8.767134|6.681544|5.696064|6.956379|4.463675|5.219350|0.089388|3.899209|5.343114|9.041735|5.116240|2.939403|2.618661|2.535962|2.244312|2.069294|2.111187|2.353530|3.305319|1.702434|4.708460|0.067623|0.064088|0.068447|0.088817|0.079076|0.093058|0.086239|0.114115|0.303444|0.500000| |2.744177|3.293159|3.343279|3.785868|4.421354|4.320103|3.684727|4.311500|32.414149|6.938706|6.742690|9.618659|8.938381|17.572507|8.756215|6.826542|5.744498|7.094795|6.862178|0.119707|4.153255|4.678713|7.534312|9.462464|4.779374|4.259901|4.224604|3.487866|3.036750|3.046478|3.513878|4.623800|2.275763|3.359735|0.077532|0.067968|0.071913|0.081917|0.094251|0.100837|0.109061|0.147211|0.220402|0.173826|0.500000| |2.434576|2.856986|3.043931|3.473121|3.742908|3.410133|3.004966|3.249352|28.428633|6.809923|5.796756|7.679354|8.882997|17.568965|8.714760|5.495269|4.890509|6.842893|7.710598|0.128014|5.189358|6.628168|9.343619|7.490442|4.118832|3.457717|3.393790|2.826252|2.485886|2.507686|2.888230|3.855033|1.928139|3.356805|0.067660|0.060550|0.065860|0.077602|0.076107|0.080019|0.082335|0.103949|0.215204|0.213957|0.303221|0.500000| |2.306606|2.732674|2.714466|3.104869|3.848383|3.927809|3.197379|4.656651|32.611239|6.627405|7.973057|9.680463|5.771106|6.816629|8.737156|17.587649|9.011732|6.981821|6.529039|0.115441|3.927239|4.150057|7.700977|9.883654|4.829967|4.407493|3.829077|3.297724|3.166210|3.466176|4.110720|4.780610|2.455789|2.778318|0.064613|0.059685|0.059390|0.066454|0.084822|0.117309|0.115401|0.175755|0.129788|0.132323|0.200638|0.139161|0.500000| |1.959579|2.281775|2.325809|2.676263|3.174237|3.078376|2.568851|3.465810|28.426774|6.308307|7.090336|7.673499|4.910687|5.514110|8.824851|17.585909|8.865763|6.802486|7.103402|0.121469|4.608672|4.874352|10.036891|7.933191|4.212340|3.608666|3.073103|2.668145|2.607808|2.907575|3.462883|4.008877|2.112533|2.524818|0.054247|0.051286|0.051308|0.058279|0.067797|0.092883|0.086304|0.118626|0.108229|0.127749|0.139692|0.123048|0.301475|0.500000| |2.180848|2.627660|2.816352|3.473135|4.181910|3.641266|2.903974|3.810500|45.931221|10.879895|10.604834|12.228965|6.943308|5.670731|6.667161|8.762583|17.511069|4.440777|5.078439|0.087740|3.718567|4.605376|9.319519|5.184328|2.954668|2.653961|2.445586|2.193332|2.109432|2.236209|2.509472|3.361740|1.773441|3.409109|0.058586|0.057017|0.057454|0.070050|0.073210|0.104875|0.089025|0.125274|0.142275|0.204132|0.131713|0.126997|0.174534|0.214123|0.500000| |2.336639|2.840888|2.921297|3.538683|4.593964|4.333029|3.311033|5.092840|49.495600|9.443409|14.440104|12.472429|5.673775|4.919960|5.495212|8.916687|17.684580|4.093617|4.525999|0.081128|3.103429|3.517435|6.501260|5.265497|3.024947|2.849926|2.621474|2.398818|2.352975|2.511472|2.774071|3.757495|1.994385|3.225370|0.063204|0.061670|0.060103|0.070921|0.084840|0.145241|0.114613|0.179098|0.127535|0.142692|0.129465|0.108018|0.222045|0.212997|0.303837|0.500000| |1.562865|1.744550|1.809640|2.004518|2.163114|2.056317|1.847643|2.123190|17.535125|4.348567|4.099736|4.168200|3.353697|4.061015|5.463347|4.305354|3.480800|6.258921|12.439434|0.208286|17.617548|8.876649|9.571859|6.227346|4.017185|3.071071|2.668254|2.253665|2.128568|2.313541|2.775653|3.296027|1.724335|2.001659|0.043511|0.040672|0.042274|0.047370|0.048966|0.056220|0.055353|0.066637|0.080542|0.096573|0.098732|0.115228|0.103104|0.129466|0.100729|0.084447|0.500000| |1.601498|1.773123|1.844002|2.016394|2.130833|2.023962|1.850860|2.042917|16.652087|4.154375|3.801429|3.923123|3.324415|4.158764|4.920881|3.661713|3.058385|5.877990|12.532013|0.226501|17.621183|8.807904|7.791329|6.047190|4.067029|3.087535|2.785531|2.320706|2.130071|2.253261|2.678329|3.301094|1.700781|2.021613|0.044797|0.041316|0.043705|0.048701|0.048986|0.053313|0.053723|0.063408|0.082586|0.095111|0.101931|0.129095|0.091397|0.101877|0.086630|0.073943|0.300114|0.500000| |1.697754|1.922017|2.058374|2.336388|2.467671|2.242040|1.996461|2.226692|20.476080|5.380557|4.570412|4.820416|4.188076|4.702733|5.658032|4.246727|3.860676|4.982113|7.733715|0.126635|8.946049|17.621446|12.546157|5.052767|3.113434|2.544532|2.338285|2.017621|1.882687|1.982833|2.289564|2.972575|1.550135|2.427305|0.046538|0.043912|0.046397|0.054248|0.051690|0.058966|0.056810|0.069114|0.098956|0.133652|0.105080|0.140846|0.097690|0.117505|0.119587|0.089663|0.221403|0.204593|0.500000| |1.913224|2.176681|2.330917|2.632136|2.765291|2.516423|2.253536|2.456162|22.062158|5.657014|4.754100|5.412898|5.196930|6.622547|6.938822|4.528584|4.003713|6.175950|9.236121|0.145626|8.870061|17.501050|12.136679|6.075258|3.629978|2.918532|2.743031|2.314183|2.099050|2.171798|2.521113|3.283560|1.680127|2.692266|0.052805|0.048733|0.052387|0.061205|0.058050|0.063347|0.062882|0.076733|0.124212|0.158807|0.140304|0.235110|0.107577|0.115364|0.115767|0.091027|0.174321|0.219556|0.302182|0.500000| |1.989172|2.331407|2.513767|2.985772|3.319295|2.932740|2.485172|2.945500|30.375978|7.856536|6.586234|7.984222|6.812903|6.918530|9.335149|7.219851|7.072240|5.773437|7.091139|0.113858|5.858876|9.327004|25.999785|5.848487|3.297835|2.774513|2.541205|2.207117|2.073819|2.192001|2.523613|3.265391|1.701990|3.044486|0.054054|0.051367|0.053492|0.064375|0.063261|0.078033|0.072413|0.094535|0.139302|0.230654|0.141034|0.172729|0.144369|0.184541|0.244514|0.144175|0.150615|0.127902|0.231343|0.206576|0.500000| |2.227680|2.548835|2.485986|2.709891|3.163322|3.311283|2.910489|3.714970|23.941551|5.150700|5.642747|6.352496|4.631234|6.502193|7.413643|7.197377|4.852775|9.608792|8.211265|0.154226|4.269747|4.096332|6.595344|26.049484|9.048121|7.688562|6.140124|4.618188|4.141722|4.526102|5.963279|5.827588|2.847911|2.436410|0.064066|0.056972|0.057880|0.061993|0.079252|0.090834|0.099761|0.128265|0.113596|0.107915|0.223148|0.148517|0.263020|0.167786|0.111631|0.121020|0.106917|0.102678|0.093269|0.110795|0.115308|0.500000| |1.837008|2.007310|1.974384|2.081251|2.271028|2.325980|2.173413|2.454058|16.634566|3.829042|3.898181|3.983361|3.150238|4.193514|4.525634|3.812715|2.982188|6.850331|9.214745|0.233476|4.557147|3.778944|5.076167|12.409267|17.569402|8.891400|7.091422|4.722879|3.974000|4.217970|5.694197|5.564363|2.683013|1.945687|0.053279|0.047097|0.048985|0.051051|0.059736|0.061834|0.067682|0.077481|0.081757|0.079733|0.127086|0.117521|0.112621|0.100818|0.075921|0.075520|0.111019|0.122651|0.087455|0.105515|0.087848|0.187979|0.500000| |1.702063|1.868150|1.835894|1.955767|2.168906|2.228595|2.049071|2.425883|16.381062|3.749227|3.957419|3.912359|2.941340|3.750180|4.484124|4.119344|3.103351|6.782361|9.041370|0.231024|4.502919|3.631122|5.136816|12.395304|17.575121|8.896449|5.635838|4.207906|3.974430|4.736103|7.189779|5.536167|2.785607|1.831252|0.048985|0.044228|0.045077|0.047268|0.056568|0.062402|0.066641|0.077346|0.074395|0.075362|0.110081|0.099511|0.122459|0.116681|0.079047|0.080364|0.119421|0.114475|0.085827|0.094967|0.088502|0.189213|0.300711|0.500000| |2.168751|2.328584|2.208118|2.248269|2.448048|2.621630|2.545832|2.754731|16.817442|3.775989|3.934714|3.900467|3.027714|3.803048|3.586081|3.261362|2.738689|4.381787|5.283248|0.113914|3.041621|2.836285|3.954347|7.847182|6.986848|8.867994|17.692179|8.998269|5.648119|4.950114|5.655806|7.645090|3.334028|2.029745|0.064876|0.054961|0.057202|0.056717|0.071874|0.067348|0.079238|0.085101|0.083193|0.074008|0.127084|0.104489|0.101904|0.082585|0.068034|0.071103|0.075757|0.082153|0.067917|0.082210|0.072616|0.161427|0.211003|0.142454|0.500000| |2.195108|2.274701|2.077780|2.052162|2.229590|2.486321|2.513328|2.663445|14.871776|3.308987|3.586369|3.260176|2.411085|2.772054|2.627511|2.576862|2.282543|2.950208|3.609314|0.076497|2.216963|2.119239|3.007982|4.937641|4.089178|5.619143|8.909147|17.746901|8.944235|5.653687|4.968426|13.537336|4.874818|1.822527|0.067403|0.056521|0.057054|0.053430|0.074337|0.065662|0.080697|0.078877|0.067550|0.059504|0.090263|0.074375|0.081364|0.066477|0.056800|0.061676|0.057286|0.059784|0.052549|0.060541|0.057136|0.108173|0.111570|0.096696|0.215579|0.500000| |1.714128|1.825112|1.706355|1.752184|1.962099|2.158801|2.060146|2.482137|14.072227|3.119466|3.594778|3.085381|2.148614|2.420642|2.564161|2.739277|2.355162|2.906421|3.574777|0.076557|2.196613|2.040575|3.000723|4.872782|4.103471|5.640151|4.956506|5.623229|8.864562|17.772524|8.952938|12.490750|7.411923|1.584313|0.050434|0.045638|0.044330|0.043655|0.060223|0.064858|0.073512|0.075454|0.057120|0.054261|0.074511|0.062423|0.087765|0.075890|0.058742|0.066457|0.059872|0.057443|0.051357|0.055185|0.056758|0.106070|0.097449|0.112897|0.107553|0.124051|0.500000| |1.702318|1.853172|1.776305|1.869028|2.105614|2.246213|2.079024|2.557161|15.675909|3.498201|3.944462|3.606611|2.546750|3.012588|3.418139|3.601211|2.862066|4.220387|5.148754|0.113413|2.976720|2.646389|3.924712|7.549836|7.000000|8.916736|5.652367|4.964302|5.659678|8.968250|17.696054|7.477924|3.911126|1.713862|0.049381|0.044833|0.044414|0.045389|0.058943|0.066526|0.072490|0.080874|0.065596|0.064463|0.091377|0.077091|0.115162|0.102823|0.071316|0.078640|0.081698|0.076065|0.065196|0.069884|0.071648|0.154089|0.144360|0.216654|0.123981|0.107762|0.218181|0.500000| |1.614578|1.670597|1.546177|1.552986|1.701697|1.879122|1.854112|2.102235|11.882661|2.668080|3.020853|2.518628|1.777590|1.955239|1.999353|2.086987|1.871914|2.205824|2.784560|0.059484|1.769339|1.665985|2.398240|3.529769|2.917336|3.733702|3.803264|4.773190|7.045364|6.706176|4.572342|16.426107|17.579730|1.407278|0.048017|0.043332|0.041918|0.040006|0.055000|0.055183|0.063292|0.061521|0.048335|0.045313|0.059785|0.051506|0.064968|0.057156|0.047436|0.052745|0.048012|0.047248|0.042520|0.045760|0.046055|0.075748|0.074611|0.079002|0.088488|0.120453|0.221780|0.113041|0.500000| |1.800910|1.876797|1.714038|1.722300|1.917007|2.164019|2.129009|2.492925|13.311423|2.937077|3.432933|2.805687|1.935713|2.100402|2.134869|2.292107|2.078109|2.298623|2.828720|0.059232|1.797111|1.722052|2.527792|3.691451|2.908440|3.716333|3.780027|4.740974|7.010391|6.697315|4.558112|16.421507|17.576162|1.537599|0.053663|0.048563|0.046106|0.043870|0.064148|0.065480|0.076799|0.072645|0.052666|0.048843|0.064869|0.054355|0.072817|0.062237|0.051937|0.059488|0.048702|0.047388|0.043873|0.047236|0.048924|0.081995|0.072920|0.077509|0.087912|0.119545|0.222950|0.112793|0.298387|0.500000| |1.737304|1.770553|1.612354|1.595535|1.741352|1.953539|1.968775|2.177366|11.893375|2.658885|3.025424|2.476143|1.741633|1.882794|1.879150|1.965518|1.804620|2.022080|2.532554|0.053299|1.627928|1.561899|2.252654|3.193341|2.543477|3.179318|3.421316|4.426880|5.894562|4.898249|3.617217|16.986275|17.670191|1.431677|0.052269|0.046884|0.044808|0.041707|0.059515|0.056980|0.067009|0.062334|0.048027|0.044225|0.057925|0.049596|0.061213|0.053049|0.045628|0.051060|0.043881|0.043530|0.039985|0.043295|0.043731|0.069612|0.066079|0.067350|0.082424|0.121866|0.145220|0.089034|0.299946|0.299982|0.500000| |3.380870|4.315515|5.983650|8.802172|6.429348|4.456183|3.946008|3.489780|42.258503|13.779751|8.153429|5.760524|4.199819|3.165555|2.724799|2.771296|3.403362|2.268602|2.793807|0.051924|2.052271|2.405187|3.608236|2.926466|1.859066|1.793509|1.809969|1.715111|1.618342|1.605549|1.684746|2.715533|1.427191|17.637500|0.081558|0.088193|0.093638|0.158549|0.089931|0.095667|0.083386|0.092626|0.131447|0.120295|0.083648|0.083411|0.073841|0.068729|0.095399|0.090201|0.053736|0.053381|0.065068|0.069888|0.082137|0.063358|0.050566|0.048386|0.051992|0.047105|0.042292|0.045698|0.037540|0.041086|0.038111|0.500000| 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