Version2.1 2021-01-14T14:18:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[NH+](C)CC(=O)Nc3ccc(cc3)C)C[C@H](CC2)C C13041078 RHF 6-31G(d) (6D,7F) CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[NH+](C)CC(=O)Nc3ccc(cc3)C)C[C@H](CC2)C C01[X(C25H34N3O4S1)] 195 C1 567 CCOC(=O)c1c(NC(=O)[C@H]([NH+](CC(=O)Nc2ccc(cc2)C)C)C)sc2c1CC[C@@H](C2)C CCOC(=O)c1c(NC(=O)[C@H]([NH+](CC(=O)Nc2ccc(cc2)C)C)C)sc2c1CC[C@@H](C2)C CCOC(=O)c1c(NC(=O)[C@@H](C)[NH+](C)CC(=O)Nc2ccc(C)cc2)sc3C[C@@H](C)CCc13 InChIKey=YSWMXOVTOLYOOS-DLBZAZTESA-O InChI=1S/C25H33N3O4S/c1-6-32-25(31)22-19-12-9-16(3)13-20(19)33-24(22)27-23(30)17(4)28(5)14-21(29)26-18-10-7-15(2)8-11-18/h7-8,10-11,16-17H,6,9,12-14H2,1-5H3,(H,26,29)(H,27,30)/p+1/t16-,17+/m0/s1 InChI=1/C25H33N3O4S/c1-6-32-25(31)22-19-12-9-16(3)13-20(19)33-24(22)27-23(30)17(4)28(5)14-21(29)26-18-10-7-15(2)8-11-18/h7-8,10-11,16-17H,6,9,12-14H2,1-5H3,(H,26,29)(H,27,30)/p+1/t16-,17+/m0/s1/fC25H34N3O4S/h26-28H/q+1 CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[NH+](C)CC(=O)Nc3ccc(cc3)C)C[C@H](CC2)C C01[X(C25H34N3O4S1)] 195 C01 567 CCOC(=O)c1c(NC(=O)[C@H]([NH+](CC(=O)Nc2ccc(cc2)C)C)C)sc2c1CC[C@@H](C2)C CCOC(=O)[C]1[C](SC2=[C]1CC[C@@H](C2)C)NC(=O)[C@H]([NH](C[C]([NH][C]1[CH][CH][C]([CH][CH]1)C)=O)C)C CCOC(=O)[C]1[C](NC(=O)[C@@H](C)[NH](C)CC(=O)N[C]2[CH][CH][C](C)[CH][CH]2)SC3=C1CC[C@H](C)C3 InChIKey=KVZNVFNGJAXXTP-DLBZAZTESA-N InChI=1S/C25H34N3O4S/c1-6-32-25(31)22-19-12-9-16(3)13-20(19)33-24(22)27-23(30)17(4)28(5)14-21(29)26-18-10-7-15(2)8-11-18/h7-8,10-11,16-17,28H,6,9,12-14H2,1-5H3,(H,26,29)(H,27,30)/t16-,17+/m0/s1 InChI=1/C25H34N3O4S/c1-6-32-25(31)22-19-12-9-16(3)13-20(19)33-24(22)27-23(30)17(4)28(5)14-21(29)26-18-10-7-15(2)8-11-18/h7-8,10-11,16-17,28H,6,9,12-14H2,1-5H3,(H,26,29)(H,27,30)/t16-,17+/m0/s1/f/h26-27H 3430.5433883269 -1826.6859157 1-A 32360.1773 126 441 567 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.06011 -20.69491 -20.67768 -20.67225 -20.64189 -15.84114 -15.73175 -15.73046 -11.50124 -11.50084 -11.47957 -11.45471 -11.44867 -11.42369 -11.41921 -11.37813 -11.37192 -11.36628 -11.33403 -11.33372 -11.32371 -11.32123 -11.31930 -11.31815 -11.31266 -11.31039 -11.30145 -11.29463 -11.29295 -11.29214 -11.28888 -11.28274 -11.26982 -9.06979 -6.75225 -6.75106 -6.74945 -1.56661 -1.55466 -1.54536 -1.47496 -1.45810 -1.39419 -1.38507 -1.26993 -1.24265 -1.22074 -1.18042 -1.17703 -1.13837 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3234.6495 3246.2178 3262.6059 3268.9317 3270.4631 3270.6169 3273.0403 3283.0258 3287.5127 3289.2924 3291.4139 3292.3258 3293.0597 3313.7016 3318.2209 3328.7736 3351.8663 3362.3278 3370.2628 3376.2942 3379.6416 3395.5237 3427.0439 3559.3533 3712.8911 3855.4829 4.7713 2.5101 3.7884 1.2916 4.0458 4.6865 3.7515 4.5478 4.8221 6.2007 3.0626 3.2142 3.7300 3.6074 4.3536 4.5102 2.8007 5.2969 3.5269 4.3267 3.7525 3.1471 2.5063 1.2253 2.3060 1.3088 4.1855 2.3359 1.6064 1.9408 2.9498 2.6198 3.0326 2.6577 3.2039 3.2833 3.6425 4.8272 4.4842 7.8130 2.9758 4.3930 2.9743 3.6793 2.1331 3.7823 3.1132 3.8644 1.6177 3.1596 3.0789 5.1682 4.1238 5.2643 2.5270 5.2415 6.6728 5.7188 4.2134 3.6579 3.7479 2.2688 5.5182 2.6114 2.5469 2.0492 3.9410 1.4148 2.7644 2.7990 2.3504 2.0964 2.5712 1.2737 2.3412 1.7752 2.7420 1.9300 3.2383 3.9007 1.3752 2.9604 1.3974 3.4961 1.4751 1.6978 1.6132 2.8478 2.1828 2.7081 4.3848 1.8339 1.5447 2.8100 2.0752 1.9461 1.7779 1.8964 2.8209 2.4457 1.4917 1.5261 1.4232 1.5403 2.4079 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12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 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 6623.5864 51961.1401 57434.0466 1.00000 0.00109 0.00007 -0.00109 1.00000 0.00063 -0.00007 -0.00063 1.00000 1 0.01308 0.00167 0.00151 0.27247 0.03473 0.03142 13.31 16.88 23.08 28.01 41.09 43.54 59.09 77.20 84.16 98.64 108.34 114.06 131.16 133.99 159.67 181.48 200.99 205.46 239.42 266.72 291.21 303.64 327.22 335.35 359.65 369.83 376.67 388.47 408.66 417.21 431.19 434.16 462.46 494.04 519.57 534.96 543.52 548.89 569.99 587.21 618.95 635.41 657.00 671.78 681.35 716.36 724.24 736.33 781.44 816.47 825.03 847.90 877.51 922.89 962.80 982.64 1006.86 1015.17 1114.15 1120.30 1129.25 1166.85 1193.12 1207.93 1216.16 1251.07 1253.19 1262.66 1285.92 1308.16 1335.05 1338.67 1341.53 1355.29 1397.72 1400.48 1424.17 1460.69 1493.12 1507.39 1508.89 1539.21 1547.33 1562.81 1579.03 1585.19 1588.25 1607.15 1609.31 1614.54 1660.25 1665.15 1692.15 1720.67 1724.81 1731.14 1742.11 1771.37 1775.59 1790.54 1813.31 1815.29 1858.63 1865.45 1872.42 1879.80 1891.44 1908.43 1919.52 1935.70 1972.55 1989.55 2008.09 2030.47 2050.97 2055.24 2065.03 2098.34 2102.06 2114.44 2117.04 2139.79 2144.60 2193.63 2211.63 2219.97 2237.91 2245.79 2255.99 2257.42 2258.67 2265.12 2282.58 2287.47 2303.98 2321.96 2329.88 2336.07 2340.03 2344.10 2348.33 2349.23 2355.85 2357.61 2362.01 2364.38 2364.99 2369.55 2370.86 2380.61 2394.67 2401.31 2433.92 2486.32 2537.41 2568.23 2584.88 2619.91 2738.97 2799.77 2810.64 4579.28 4593.63 4599.70 4609.55 4619.10 4623.95 4635.20 4650.07 4653.94 4670.58 4694.16 4703.26 4705.47 4705.69 4709.18 4723.54 4730.00 4732.56 4735.61 4736.92 4737.98 4767.68 4774.18 4789.36 4822.59 4837.64 4849.06 4857.73 4862.55 4885.40 4930.75 5121.12 5342.02 5547.18 0.610981 0.643342 0.644286 0.540585 -1826.074935 -1826.042574 -1826.041629 -1826.145331 3.478182D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[NH+](C)CC(=O)Nc3ccc(cc3)C)C[C@H](CC2)C C13041078 RHF 6-31G(d) (6D,10F) C1 472.227004 |X|Y|Z| 59.878014 22.776589 168.095087 61.202670 22 6 7 16 18 3 1 |36.858105| |12.593409|36.858105| |8.020063|13.276053|73.516695| |5.283850|8.093822|25.952104|36.858105| |4.623884|7.199580|15.371018|15.772822|73.516695| |4.056788|5.174387|14.461954|12.882862|14.315528|36.858105| |3.843850|4.389425|11.651310|7.234099|9.099891|13.078397|36.858105| |3.026140|3.370756|8.030973|5.087091|7.233747|8.207445|14.183683|36.858105| |2.641361|3.046404|6.914597|4.777386|7.462863|7.401912|7.391618|10.947043|388.023441| |3.191211|3.954572|9.421149|7.716480|11.937553|13.973116|8.152654|7.723660|78.669941|36.858105| |2.935541|3.707883|8.077224|6.571187|12.783866|7.816845|5.181577|4.955722|49.259989|13.644006|53.358707| |2.438902|2.961336|6.126884|4.502441|8.759822|5.166281|3.989717|4.099274|42.771280|7.796634|19.412719|36.858105| |2.192805|2.580862|5.339621|3.745389|6.896701|4.482607|3.766574|4.139680|46.562528|6.588841|11.446739|15.872848|73.516695| |2.269577|2.752708|5.389136|3.814022|7.917303|3.938160|3.129204|3.114877|28.845836|5.051833|10.717019|12.404501|14.341406|36.858105| |2.411459|2.974233|5.699170|4.043627|8.838350|3.940132|3.077365|2.971202|26.233935|4.791181|9.997658|8.746161|10.630534|17.614771|0.500000| |2.195354|2.642188|5.087545|3.519586|7.281484|3.562130|2.892956|2.858717|25.428817|4.336064|8.219570|7.641981|10.616211|12.436864|0.244854|36.858105| |1.957153|2.302514|4.456351|3.018526|5.994064|3.169918|2.665484|2.731265|25.130742|3.951621|7.217002|7.883981|12.951250|12.638803|0.252271|7.476301|53.358707| |1.879718|2.186630|4.286598|2.885871|5.562250|3.132581|2.692636|2.834032|26.864646|3.977713|6.942938|7.888632|15.826501|9.316506|0.182583|6.677948|25.458040|0.500000| |1.953250|2.283570|4.411798|2.952934|5.787443|3.096340|2.633156|2.697845|24.389666|3.785523|6.586944|6.400955|10.857108|7.684595|0.205452|4.937815|17.290702|0.261709|36.858105| |1.761989|2.044628|3.857298|2.538435|5.047476|2.594703|2.232239|2.267708|19.881958|3.073519|5.283870|5.038120|8.501951|7.482669|0.180495|6.444499|17.441144|0.261431|7.766095|36.858105| |1.568429|1.785208|3.376666|2.180280|4.210041|2.269852|2.014228|2.085623|18.184316|2.665397|4.335063|4.034978|7.445392|5.012896|0.122231|4.531721|10.623967|0.219179|6.243743|12.417614|36.858105| |1.557687|1.764491|3.382662|2.185925|4.145563|2.330870|2.094106|2.210997|19.660489|2.777544|4.430226|4.203853|8.337188|4.775185|0.112810|4.231458|9.952717|0.249352|6.126389|8.105661|15.872814|73.516695| |1.441632|1.625191|3.031620|1.926002|3.713680|1.976667|1.772945|1.821924|15.430988|2.261844|3.596374|3.182002|5.763449|3.867203|0.099470|3.677179|7.121841|0.141556|4.630114|7.878730|14.280577|14.915201|53.358707| |1.307251|1.455429|2.712028|1.700948|3.232749|1.754971|1.602382|1.657567|13.851966|1.985488|3.068352|2.652893|4.903400|3.048604|0.079011|2.933084|5.295525|0.109818|3.637254|5.008233|7.708692|11.596131|18.120884|36.858105| |1.231869|1.363016|2.516660|1.562788|2.968485|1.596653|1.464552|1.504723|12.353534|1.779252|2.722695|2.295774|4.180862|2.616500|0.069774|2.512999|4.371539|0.088322|3.134974|3.992714|5.270389|8.113992|10.759759|13.770089|36.858105| |1.134386|1.244229|2.295708|1.413435|2.660159|1.448323|1.343869|1.385282|11.253472|1.601141|2.409449|2.004184|3.678653|2.223772|0.059335|2.152783|3.608837|0.074088|2.611661|3.131570|3.954995|6.542759|7.032762|7.948895|13.762329|36.858105| |1.101939|1.204367|2.234626|1.374182|2.565972|1.421019|1.329066|1.380938|11.232555|1.574281|2.346180|1.954571|3.643792|2.126819|0.055989|2.074180|3.428356|0.072152|2.453673|2.895988|3.691884|6.457448|6.141096|6.821875|7.890748|13.721625|36.858105| |1.156830|1.269046|2.372536|1.468387|2.737148|1.532408|1.432171|1.498990|12.350166|1.715800|2.563607|2.167933|4.105829|2.348645|0.060643|2.300081|3.840354|0.082907|2.684355|3.238474|4.327827|7.906818|6.976954|7.976611|6.918109|8.001909|13.693809|36.858105| |1.260494|1.395499|2.618410|1.637723|3.075792|1.711307|1.580982|1.653902|13.851378|1.940572|2.950743|2.551488|4.842897|2.825765|0.071877|2.757338|4.798481|0.104495|3.257356|4.216661|6.253109|11.289272|10.518176|13.746420|7.941331|6.879777|7.859588|13.775953|36.858105| |1.015446|1.101360|2.039062|1.243794|2.307470|1.285976|1.213827|1.261777|10.136999|1.411687|2.076660|1.705112|3.177349|1.825378|0.048346|1.787087|2.870854|0.060423|2.073627|2.357090|2.866238|5.095995|4.523152|4.427468|5.007608|7.535650|12.612941|7.549620|5.005734|36.858105| |2.630516|2.789031|6.258473|3.704240|5.509449|5.037035|7.488181|12.649721|47.948583|4.834003|4.901641|3.196467|5.929409|2.550306|0.067547|2.380432|3.159473|0.067496|2.308841|1.976546|1.861859|3.530879|2.242064|1.523298|1.390631|1.294423|1.299756|1.408352|1.535068|1.198854|36.858105| |2.823974|2.863617|6.351332|3.507838|5.155363|4.411380|6.606523|7.626755|32.822636|3.904666|4.135332|2.673886|4.819159|2.218123|0.060040|2.083637|2.753898|0.057861|2.033847|1.753832|1.649941|3.089538|2.014254|1.374418|1.268545|1.185629|1.185991|1.273003|1.377370|1.100424|12.412620|36.858105| |2.881705|2.912720|6.428135|3.523808|5.188349|4.349778|6.234679|6.797278|31.327859|3.837524|4.109057|2.652293|4.754218|2.209632|0.060459|2.040896|2.761492|0.057637|2.077062|1.753960|1.649558|3.083349|2.015816|1.375175|1.274185|1.190146|1.186398|1.268510|1.371628|1.100754|8.924404|17.497664|0.500000| |3.427529|3.394095|7.710098|4.017054|5.708113|4.865809|7.565909|6.807190|29.917799|3.960926|4.200767|2.642294|4.618111|2.223898|0.060796|2.126099|2.702710|0.056113|1.970906|1.733517|1.609112|2.975811|1.972340|1.338321|1.237826|1.153691|1.148959|1.229800|1.333358|1.064760|7.616620|12.442622|0.247689|36.858105| |4.439191|4.586678|11.752731|5.829566|7.571946|7.169573|12.589110|7.653460|33.611391|5.023232|5.121507|3.055861|5.156337|2.547922|0.070702|2.408393|3.017069|0.061770|2.203815|1.912247|1.741962|3.194389|2.123405|1.424114|1.315656|1.216317|1.202684|1.285982|1.405098|1.107319|6.307442|7.471387|0.194271|12.430487|36.858105| |2.384891|2.368991|5.005717|2.750944|4.196695|3.279393|4.361006|4.950958|25.344857|3.024256|3.373546|2.253454|4.113532|1.914907|0.051667|1.821625|2.420862|0.051101|1.784389|1.567659|1.495319|2.805391|1.842477|1.270899|1.177810|1.109748|1.115883|1.195608|1.282130|1.043102|7.541858|12.467761|0.247582|7.508243|4.877535|36.858105| |17.581096|8.851433|12.860652|4.913198|7.473875|3.982537|3.919452|3.095296|18.857732|3.135429|3.864449|2.372396|3.833480|2.185267|0.064366|2.078998|2.599677|0.051130|1.934180|1.711803|1.535577|2.724918|1.920340|1.284484|1.212599|1.119288|1.088262|1.141181|1.240237|1.004814|2.726017|3.000981|0.087202|3.612718|4.679182|2.520483|0.500000| |17.580574|8.849203|12.834332|4.908493|7.470358|3.974333|3.923592|3.085804|18.747724|3.118338|3.839675|2.357821|3.807599|2.177662|0.063265|2.139133|2.559528|0.050623|1.855996|1.697147|1.519527|2.694271|1.901239|1.271225|1.195051|1.103827|1.077021|1.133593|1.232954|0.994546|2.719243|2.953175|0.081811|3.724285|4.747110|2.509572|0.300649|0.500000| |17.566165|8.920084|10.199758|4.279217|7.123303|3.364478|3.165329|2.588631|16.500035|2.766794|3.565619|2.223674|3.560969|2.115263|0.062794|2.060896|2.504229|0.048865|1.837116|1.678943|1.496132|2.625240|1.886997|1.259583|1.193547|1.100552|1.066129|1.114211|1.210739|0.984294|2.288092|2.437308|0.069088|2.880651|3.545402|2.108601|0.300918|0.300994|0.500000| |8.807033|17.633325|16.509307|7.253792|12.955077|4.761071|3.954131|3.140336|20.854527|3.821572|5.064093|2.998083|4.605855|2.837579|0.087281|2.662178|3.246843|0.062139|2.407823|2.118193|1.838675|3.211172|2.281936|1.495990|1.406636|1.279789|1.231874|1.293031|1.423733|1.124257|2.608013|2.653511|0.076337|3.025160|3.972214|2.211075|0.211064|0.172911|0.211760|0.500000| |8.805045|17.633877|16.504464|7.256404|12.957573|4.755707|3.964676|3.134477|20.730091|3.796022|5.014332|2.971357|4.564917|2.822611|0.084642|2.792835|3.171395|0.061271|2.263340|2.091394|1.812007|3.162792|2.250765|1.475593|1.379815|1.257147|1.215966|1.282396|1.413181|1.110211|2.604901|2.623141|0.072729|3.093091|4.019437|2.205630|0.172917|0.211219|0.211453|0.301982|0.500000| |3.230640|4.269429|9.060066|7.777117|18.378927|7.472193|4.802371|4.299839|37.524042|9.495212|25.817689|9.334282|10.757806|7.479368|0.225131|6.039964|6.657531|0.124257|4.507962|3.765959|3.020991|5.328325|3.481677|2.173509|1.951085|1.723241|1.663790|1.800160|2.064327|1.474964|3.214669|2.826070|0.078481|2.952161|3.674067|2.321050|0.085284|0.084814|0.080355|0.121105|0.119902|0.500000| |2.022471|2.383872|4.628405|3.139863|6.212918|3.293636|2.770585|2.813686|25.391887|4.037259|7.117550|6.847875|10.976457|8.761940|0.172796|17.573676|9.381641|0.196362|4.529055|6.173375|4.752264|8.201091|5.170764|3.071525|2.575093|2.219485|2.173358|2.456431|2.970160|1.867619|2.383044|2.060795|0.055595|2.081734|2.310339|1.820195|0.053491|0.055343|0.052682|0.065966|0.069557|0.136307|0.500000| |2.082595|2.487019|4.650033|3.129423|6.535178|3.065174|2.534863|2.480600|21.233767|3.559790|6.387194|5.516619|8.108708|8.719339|0.214707|17.613831|8.865817|0.154637|4.528565|6.751988|4.571918|7.158600|5.280084|3.040660|2.631439|2.231193|2.120348|2.325814|2.791205|1.819059|2.105914|1.877593|0.051308|1.923823|2.167665|1.658732|0.054608|0.056149|0.055067|0.070239|0.073620|0.136579|0.298683|0.500000| |2.436054|2.984752|5.784340|4.081334|8.612425|4.045580|3.198992|3.083858|26.832870|4.828862|9.114012|7.207810|9.697113|8.917991|0.209103|17.599307|7.511370|0.141981|4.130265|4.751102|3.610446|6.138971|4.141228|2.514466|2.200114|1.918468|1.857281|2.041087|2.391705|1.624416|2.523524|2.215649|0.059840|2.304929|2.650747|1.919274|0.063216|0.066296|0.063106|0.082202|0.089359|0.196749|0.302327|0.304020|0.500000| |2.008651|2.362787|4.476342|2.977810|5.975554|3.006160|2.532483|2.531098|22.019471|3.545236|6.166844|5.463144|8.637363|6.956392|0.220930|4.659758|12.292401|0.181666|17.641327|6.996775|5.326362|8.637671|5.863676|3.389178|3.031465|2.519888|2.323673|2.483133|2.962552|1.976933|2.165926|1.944126|0.055448|1.906685|2.152068|1.705009|0.055154|0.052484|0.052873|0.070362|0.065099|0.124599|0.113589|0.124761|0.110836|0.500000| |1.765663|2.027904|3.892843|2.547013|4.895623|2.684457|2.353225|2.441741|21.716465|3.213146|5.280130|4.936255|9.056403|5.602598|0.147066|4.102856|12.312583|0.226878|17.686385|7.243286|7.160691|13.032003|7.178033|4.198723|3.578155|2.947807|2.759789|3.030370|3.719601|2.299545|2.142900|1.894762|0.053764|1.819749|2.000336|1.686140|0.048775|0.046821|0.046358|0.059119|0.055769|0.100335|0.109658|0.107379|0.096299|0.297819|0.500000| |2.072424|2.428733|4.798182|3.250152|6.234413|3.518441|2.981727|3.094472|28.875765|4.436844|7.630636|7.390160|12.963266|7.137081|0.188646|4.584944|12.280967|0.226590|17.690765|5.640277|4.857092|9.103295|5.110994|3.111504|2.717483|2.331533|2.229398|2.440783|2.890974|1.919095|2.609416|2.269974|0.064849|2.173292|2.443801|1.966311|0.057478|0.054650|0.053563|0.071023|0.065940|0.138094|0.118078|0.112206|0.111815|0.298157|0.301766|0.500000| |1.766894|2.052473|3.812225|2.488615|5.010446|2.484520|2.131919|2.134726|18.265633|2.874340|4.907276|4.410239|7.192570|6.442253|0.179607|5.482403|12.317255|0.182529|7.386048|17.623431|8.654585|10.662501|9.754016|4.689168|4.004844|3.108620|2.788575|3.006551|3.786606|2.285509|1.863822|1.676988|0.046895|1.666077|1.847592|1.499237|0.047693|0.046905|0.047100|0.059795|0.058284|0.100514|0.136997|0.169480|0.119166|0.219585|0.189974|0.146692|0.500000| |1.760701|2.044242|3.840403|2.523172|5.037880|2.561756|2.202964|2.226565|19.347151|3.009294|5.153525|4.807420|7.997434|7.171990|0.168358|7.754876|12.295655|0.212496|5.641277|17.677220|8.952783|11.648438|9.250573|4.590824|3.687564|2.953796|2.766982|3.108562|4.002261|2.273137|1.941672|1.724160|0.047493|1.720447|1.895040|1.545172|0.047115|0.047406|0.046691|0.058269|0.058837|0.103216|0.214184|0.249480|0.150419|0.146337|0.144384|0.126226|0.301264|0.500000| |1.451008|1.638893|3.026454|1.917316|3.733412|1.938004|1.728499|1.756171|14.693673|2.193089|3.504741|3.041621|5.346893|3.790873|0.100654|3.666938|6.653851|0.125471|4.353975|7.633104|9.510643|10.848063|26.027547|9.224756|7.367712|4.833694|4.044584|4.316242|5.824045|3.073462|1.582966|1.433236|0.039888|1.414119|1.529920|1.309401|0.039315|0.038941|0.038953|0.047154|0.046525|0.070522|0.102144|0.111782|0.084688|0.118852|0.131779|0.097807|0.221842|0.191492|0.500000| |1.253560|1.389685|2.549033|1.581148|3.023457|1.599446|1.459186|1.487298|12.142575|1.772497|2.727101|2.279923|4.080377|2.635699|0.071705|2.515142|4.363422|0.085617|3.181854|4.031175|4.956560|7.350485|9.913286|8.905938|17.694395|8.927406|5.628764|4.973610|5.642145|4.087310|1.368595|1.255032|0.035123|1.229853|1.314208|1.161727|0.034254|0.033644|0.033850|0.040053|0.039098|0.054850|0.070173|0.074152|0.061308|0.088082|0.099771|0.075817|0.118424|0.102494|0.218732|0.500000| |1.088023|1.188671|2.181621|1.335433|2.511929|1.360855|1.265778|1.299248|10.450790|1.491948|2.233938|1.835246|3.342139|2.028678|0.054788|1.963718|3.233146|0.065694|2.370611|2.765902|3.334114|5.510260|5.718782|5.662418|8.963670|17.718705|8.911255|5.667124|4.955764|6.969977|1.217361|1.122365|0.031359|1.094089|1.152848|1.052896|0.029849|0.029374|0.029420|0.034027|0.033336|0.044645|0.055697|0.056722|0.049098|0.064529|0.073511|0.059231|0.077792|0.072739|0.114324|0.216866|0.500000| |1.123675|1.227577|2.302269|1.420632|2.629585|1.491603|1.405378|1.479497|12.156086|1.667683|2.464389|2.073825|3.966655|2.204039|0.056622|2.173011|3.541186|0.077524|2.467790|2.897816|3.745963|7.104369|5.659573|5.674789|4.975002|5.671029|8.914574|17.711618|8.983433|7.008006|1.400884|1.264166|0.034886|1.217325|1.264348|1.193923|0.030818|0.030697|0.030020|0.034594|0.034433|0.047839|0.065052|0.060405|0.054084|0.063068|0.076468|0.063486|0.074106|0.078212|0.099072|0.107867|0.124294|0.500000| |1.308132|1.451973|2.745427|1.726825|3.232549|1.822766|1.684354|1.775644|15.067320|2.089034|3.178302|2.790613|5.405681|3.054910|0.075853|3.006646|5.212390|0.118230|3.416914|4.465069|6.703542|13.514200|9.570426|8.898283|5.646761|4.960599|5.620522|8.934819|17.781756|4.092366|1.645379|1.462364|0.040268|1.412391|1.485987|1.359191|0.035713|0.035656|0.034752|0.040953|0.040880|0.061056|0.092442|0.083002|0.071947|0.084210|0.107052|0.085141|0.106254|0.119711|0.146676|0.123997|0.107657|0.217193|0.500000| |0.992630|1.074548|1.991066|1.212753|2.244220|1.256191|1.189619|1.238615|9.929341|1.377232|2.017619|1.653087|3.087941|1.760407|0.046400|1.743790|2.738981|0.058021|1.952518|2.236606|2.691536|4.825126|4.173092|3.964826|4.227186|5.714525|8.843929|6.958240|4.664887|17.571051|1.180729|1.083069|0.029988|1.048840|1.086920|1.029965|0.027247|0.027090|0.026719|0.030354|0.030146|0.039758|0.050999|0.049218|0.044202|0.051543|0.059481|0.050514|0.059692|0.060775|0.078873|0.097575|0.145691|0.204810|0.110661|0.500000| |1.004285|1.086766|2.016948|1.228448|2.269121|1.275106|1.208968|1.261249|10.120951|1.399412|2.046638|1.677091|3.143142|1.775115|0.047053|1.719576|2.793120|0.059046|2.047443|2.250188|2.726693|4.946183|4.183508|3.979818|4.385216|6.090064|8.857974|6.448342|4.506328|17.542292|1.203547|1.105072|0.030771|1.064110|1.103544|1.049844|0.027693|0.027314|0.027007|0.030828|0.030316|0.040244|0.049826|0.048221|0.043578|0.054023|0.063450|0.053095|0.060577|0.059688|0.078404|0.102024|0.160341|0.176760|0.105733|0.302189|0.500000| |0.984963|1.066311|1.964141|1.193900|2.218959|1.226784|1.157172|1.196596|9.547824|1.338687|1.968969|1.604435|2.961730|1.724950|0.046101|1.691728|2.687666|0.055906|1.950806|2.212790|2.629261|4.586891|4.177734|3.959598|4.725556|7.175098|8.839323|5.594452|4.171386|17.586437|1.136529|1.048820|0.029184|1.018192|1.060302|0.994535|0.027065|0.026765|0.026603|0.030289|0.029877|0.039084|0.048703|0.048155|0.042899|0.052307|0.059658|0.050107|0.060499|0.059426|0.081078|0.112451|0.217812|0.141495|0.096204|0.301746|0.301989|0.500000| |2.365082|2.509894|5.488879|3.283118|5.031203|4.332268|5.738014|8.904026|45.951218|4.410742|4.650817|3.138363|5.987648|2.505772|0.066104|2.303543|3.179905|0.068531|2.358913|1.984298|1.893982|3.629221|2.276923|1.555818|1.419642|1.324922|1.334572|1.448075|1.574492|1.232454|17.538559|8.807021|0.220091|5.536932|4.856194|6.724385|0.068475|0.066910|0.057943|0.066536|0.065166|0.083900|0.064423|0.056740|0.066584|0.060927|0.061478|0.074704|0.051875|0.053635|0.044392|0.038692|0.034579|0.040100|0.046904|0.033670|0.034524|0.032375|0.500000| |2.445723|2.582199|5.672505|3.357575|5.099487|4.414972|6.051691|8.925474|42.544078|4.342262|4.562272|3.040507|5.698539|2.454812|0.064292|2.347364|3.046900|0.065622|2.184819|1.926865|1.825295|3.468656|2.203733|1.503050|1.368518|1.277691|1.289402|1.402180|1.525362|1.191670|17.507570|8.814411|0.174560|6.655596|5.318444|7.106279|0.069241|0.071196|0.059680|0.066583|0.068378|0.083309|0.066240|0.057698|0.069312|0.056732|0.056652|0.067615|0.050159|0.053103|0.043156|0.037266|0.033331|0.038930|0.045619|0.032750|0.033176|0.031337|0.303618|0.500000| |3.454797|3.254202|7.052204|3.535877|5.136452|3.999723|5.543727|4.961477|24.298263|3.302143|3.648099|2.324234|4.048075|2.001261|0.055185|1.919742|2.453015|0.050654|1.798939|1.591987|1.482669|2.728764|1.832491|1.248877|1.162348|1.087128|1.081439|1.151689|1.242321|1.006319|5.522223|8.819699|0.210388|17.546964|8.874459|6.998704|0.103269|0.105544|0.081260|0.080696|0.081846|0.072410|0.052083|0.048834|0.057541|0.048723|0.046401|0.054662|0.042788|0.043880|0.036617|0.032147|0.028746|0.031666|0.036375|0.027535|0.027951|0.026806|0.123519|0.139088|0.500000| |3.190866|3.185575|7.087714|3.772500|5.471136|4.536007|6.585211|6.244698|29.067465|3.807918|4.093185|2.602734|4.570791|2.199549|0.059537|2.144956|2.665336|0.055636|1.912741|1.719911|1.598887|2.958579|1.961425|1.332404|1.228982|1.146774|1.145639|1.229817|1.333147|1.062263|7.029765|8.875464|0.174543|17.505103|8.842102|6.797261|0.090328|0.098314|0.075558|0.078160|0.083234|0.079695|0.058889|0.053837|0.065010|0.051194|0.049153|0.058088|0.045668|0.047829|0.039040|0.033827|0.030165|0.033909|0.039363|0.029165|0.029428|0.028190|0.141248|0.200221|0.303522|0.500000| |5.231580|5.291453|13.581825|6.122980|7.931684|6.600267|8.898991|5.837333|29.162237|4.606490|4.917199|2.927659|4.859625|2.498638|0.069728|2.415332|2.925331|0.059486|2.108596|1.875482|1.697081|3.085451|2.079325|1.391842|1.288047|1.190068|1.174554|1.253721|1.369916|1.081602|4.891275|5.495994|0.140936|8.852180|17.609425|4.069116|0.145362|0.166566|0.112681|0.119583|0.130747|0.100980|0.064030|0.060819|0.074986|0.057644|0.053071|0.063993|0.050496|0.052125|0.041842|0.035815|0.031373|0.034203|0.040187|0.029535|0.029841|0.028831|0.108610|0.124186|0.208230|0.221280|0.500000| |4.867844|4.851710|12.099928|5.625378|7.417941|6.290294|8.929106|6.109026|29.645460|4.525756|4.803840|2.885737|4.842143|2.445353|0.068972|2.276021|2.924065|0.059331|2.176942|1.858732|1.693895|3.093644|2.073952|1.392480|1.294096|1.196878|1.179003|1.254025|1.367001|1.086911|5.255817|6.489046|0.195940|8.807392|17.534869|4.463572|0.153504|0.138070|0.106459|0.119789|0.112193|0.097402|0.060127|0.057486|0.068815|0.059671|0.054961|0.067179|0.050371|0.050764|0.041625|0.036049|0.031615|0.034156|0.039926|0.029547|0.030139|0.028980|0.121658|0.121001|0.220908|0.174159|0.305330|0.500000| |2.286946|2.275391|4.771563|2.634638|4.051589|3.121812|4.068716|4.611759|24.336979|2.905459|3.269597|2.198457|4.023013|1.876838|0.050320|1.812152|2.367591|0.050161|1.722764|1.542099|1.473070|2.763681|1.817755|1.255657|1.161493|1.095929|1.105165|1.186809|1.271660|1.034145|6.773565|8.777224|0.173464|6.831949|4.486484|17.533453|0.065994|0.067690|0.056462|0.058532|0.059752|0.062503|0.050663|0.045838|0.053229|0.045631|0.045274|0.052329|0.040811|0.042520|0.035877|0.031753|0.028854|0.033013|0.037550|0.028459|0.028857|0.027371|0.162000|0.209169|0.174620|0.202251|0.109067|0.109873|0.500000| 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