Version2.1 2020-12-18T09:42:34Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 05-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H](C)CN1C(=O)[C@@H]([NH2+]C12CCN(CC2)S(=O)(=O)c3cccc(c3)C(F)(F)F)[C@@H](C)CC C36028170 RHF 6-31G(d) (6D,7F) CC[C@@H](C)CN1C(=O)[C@@H]([NH2+]C12CCN(CC2)S(=O)(=O)c3cccc(c3)C(F)(F)F)[C@@H](C)CC C01[X(C23H35F3N3O3S1)] 198 C1 569 CC[C@H](CN1C(=O)[C@@H]([NH2+]C21CCN(CC2)S(=O)(=O)c1cccc(c1)C(F)(F)F)[C@H](CC)C)C CC[C@H](CN1C(=O)[C@@H]([NH2+]C21CCN(CC2)S(=O)(=O)c1cccc(c1)C(F)(F)F)[C@H](CC)C)C CC[C@@H](C)CN1C(=O)[C@@H]([NH2+]C12CCN(CC2)[S](=O)(=O)c3cccc(c3)C(F)(F)F)[C@@H](C)CC InChIKey=RXAIQWZCCFTHSN-UWVAXJGDSA-O InChI=1S/C23H34F3N3O3S/c1-5-16(3)15-29-21(30)20(17(4)6-2)27-22(29)10-12-28(13-11-22)33(31,32)19-9-7-8-18(14-19)23(24,25)26/h7-9,14,16-17,20,27H,5-6,10-13,15H2,1-4H3/p+1/t16-,17+,20+/m1/s1 InChI=1/C23H34F3N3O3S/c1-5-16(3)15-29-21(30)20(17(4)6-2)27-22(29)10-12-28(13-11-22)33(31,32)19-9-7-8-18(14-19)23(24,25)26/h7-9,14,16-17,20,27H,5-6,10-13,15H2,1-4H3/p+1/t16-,17+,20+/m1/s1/fC23H35F3N3O3S/h27H/q+1 CC[C@@H](C)CN1C(=O)[C@@H]([NH2+]C12CCN(CC2)S(=O)(=O)c3cccc(c3)C(F)(F)F)[C@@H](C)CC C01[X(C23H35F3N3O3S1)] 198 C01 569 CC[C@H](CN1C(=O)[C@@H]([NH2+]C21CCN(CC2)S(=O)(=O)c1cccc(c1)C(F)(F)F)[C@H](CC)C)C CC[C@H](CN1C(=O)[C@@H]([NH2][C@@]21CCN(CC2)[S@]([O])(=O)[C]1[CH][CH][CH][C]([CH]1)C(F)(F)F)[C@H](CC)C)C CC[C@@H](C)CN1C(=O)[C@@H]([NH2]C12CCN(CC2)[S]([O])(=O)[C]3[CH][CH][CH][C]([CH]3)C(F)(F)F)[C@@H](C)CC InChIKey=ADWDSRPAOJSSEG-UWVAXJGDSA-N InChI=1S/C23H35F3N3O3S/c1-5-16(3)15-29-21(30)20(17(4)6-2)27-22(29)10-12-28(13-11-22)33(31,32)19-9-7-8-18(14-19)23(24,25)26/h7-9,14,16-17,20H,5-6,10-13,15,27H2,1-4H3/t16-,17+,20+/m1/s1 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66 67 68 6 6 6 1 6 6 7 6 8 6 1 7 1 1 6 6 6 7 6 6 16 8 8 6 6 6 6 6 6 6 9 9 9 6 1 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 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 10056.1129 32111.0478 37781.1301 0.99989 -0.01493 0.00209 0.01488 0.99964 0.02240 -0.00242 -0.02236 0.99975 1 0.00861 0.00270 0.00229 0.17947 0.05620 0.04777 13.67 22.17 31.21 52.68 64.88 67.00 76.12 89.26 112.69 122.08 134.63 143.40 170.17 197.67 203.21 221.54 241.68 296.27 319.57 325.79 331.71 348.71 362.88 365.53 378.81 391.00 404.01 425.59 441.73 463.61 476.20 497.34 512.22 529.73 531.67 567.06 579.80 601.50 645.96 649.78 658.93 674.03 697.75 703.81 727.11 758.73 779.32 782.90 801.57 838.02 864.02 895.74 916.11 944.78 979.01 991.80 1022.87 1031.51 1069.55 1082.47 1105.15 1161.69 1195.98 1204.18 1224.36 1228.99 1256.20 1279.21 1307.75 1310.83 1314.79 1383.63 1393.78 1419.46 1439.23 1461.84 1482.99 1512.42 1515.27 1522.89 1529.32 1555.11 1556.42 1565.25 1568.54 1584.62 1590.62 1616.11 1619.71 1632.08 1638.73 1639.58 1679.73 1694.54 1718.52 1735.03 1755.31 1761.78 1797.55 1800.44 1801.94 1810.76 1817.58 1834.99 1850.87 1877.87 1882.71 1912.84 1915.76 1946.78 1958.31 1988.24 2017.32 2025.00 2028.75 2033.84 2058.05 2071.75 2073.99 2080.70 2092.86 2095.38 2129.55 2131.77 2141.51 2161.34 2177.29 2181.04 2189.99 2194.21 2198.45 2208.37 2230.16 2233.17 2241.67 2257.19 2261.69 2262.85 2265.67 2272.13 2282.64 2296.15 2340.79 2342.73 2345.66 2354.56 2358.30 2361.00 2362.12 2364.26 2368.04 2372.21 2377.72 2378.96 2380.28 2386.36 2390.64 2391.55 2571.78 2614.73 2619.71 2895.43 4565.61 4583.77 4584.54 4588.66 4609.47 4616.71 4621.92 4630.16 4638.29 4644.15 4671.18 4693.84 4702.94 4706.43 4708.24 4710.91 4713.01 4717.85 4727.56 4729.73 4732.15 4733.72 4739.62 4752.01 4753.83 4776.17 4781.99 4785.02 4838.84 4884.05 4907.61 4917.64 4921.00 5285.38 5383.27 0.620406 0.650987 0.651931 0.555391 -1974.245020 -1974.214439 -1974.213495 -1974.310035 3.237967D-04 MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE CC[C@@H](C)CN1C(=O)[C@@H]([NH2+]C12CCN(CC2)S(=O)(=O)c3cccc(c3)C(F)(F)F)[C@@H](C)CC C36028170 RHF 6-31G(d) (6D,10F) C1 490.235124 |X|Y|Z| 126.268274 68.043686 36.687161 68.055839 17 6 7 16 13 3 1 |36.858105| |12.456820|36.858105| |7.377009|12.375129|36.858105| |6.906812|8.917639|17.504908|0.500000| |6.063471|7.462251|12.446026|0.247533|36.858105| |4.901559|7.662479|12.395858|0.246132|7.500013|36.858105| |3.726759|4.951387|7.475588|0.187764|6.263255|12.938111|53.358707| |3.171428|4.025757|5.477048|0.134015|5.486935|7.771498|19.025853|36.858105| |3.151808|3.993685|5.110873|0.118956|5.504647|6.743327|11.362959|16.037732|73.516695| |2.604634|3.123162|4.020589|0.106558|4.058581|5.082707|11.034218|12.495370|14.085214|36.858105| |2.384439|2.856137|3.511716|0.092891|3.434768|4.516981|8.875552|8.948613|11.934211|17.601987|0.500000| |2.695966|3.193252|4.196756|0.119312|4.012089|5.145354|11.469295|8.184375|9.739691|12.680883|0.253451|53.358707| |2.739884|3.162879|4.218125|0.123296|4.217950|4.754780|9.800609|6.902245|8.844964|9.225074|0.182673|25.687957|0.500000| |2.400328|2.787919|3.498970|0.100616|3.320336|4.187473|8.232629|5.938762|7.819284|9.008407|0.229594|25.696850|0.326729|0.500000| |3.190825|3.960381|5.395966|0.156652|4.546540|7.367658|17.827756|8.102657|9.702812|7.798544|0.185828|17.016759|0.254376|0.250539|36.858105| |2.783044|3.427170|4.178629|0.117988|3.495273|5.740744|10.275570|5.959097|8.043650|6.067792|0.177528|10.473479|0.159328|0.208289|12.288191|36.858105| |2.862141|3.486887|3.984840|0.116016|3.183106|5.133077|7.488310|4.292729|6.315836|4.117057|0.117534|6.762925|0.117037|0.136801|7.334062|12.385619|36.858105| |2.909404|3.392299|3.884467|0.121184|3.111813|4.499214|6.470632|3.691392|5.480911|3.607058|0.098509|6.243010|0.115709|0.127638|6.454205|7.616578|13.059467|53.358707| |3.502503|4.078445|4.964059|0.170061|3.824774|5.365773|7.588592|4.052233|5.944419|3.809373|0.098367|6.776795|0.133228|0.129376|7.392636|6.489360|7.873111|17.741752|36.858105| |3.362929|3.957873|5.334025|0.178949|4.404659|5.935903|10.272347|5.247289|7.176345|5.119037|0.123938|10.546895|0.215493|0.185446|12.383358|7.388840|6.509490|10.496069|12.433048|36.858105| |2.367111|2.646123|2.989615|0.092220|2.556452|3.326224|4.966454|3.063725|4.619301|3.196969|0.088605|5.561107|0.105565|0.122777|4.879597|5.644143|7.145925|15.588879|7.176642|5.780815|388.023441| |2.372878|2.565967|2.885432|0.091533|2.501573|3.035955|4.445758|2.755318|4.211566|2.848868|0.076813|4.925989|0.098857|0.106135|4.171004|4.276459|5.012473|10.514077|6.797831|5.434832|94.898255|73.516695| |2.179504|2.454574|2.826378|0.085049|2.495112|3.222035|5.101043|3.275331|4.864310|3.638689|0.103220|6.504924|0.119538|0.156696|5.212413|6.291350|6.473896|10.258856|5.592253|5.554154|94.082941|13.696977|73.516695| |2.105001|2.330418|2.511700|0.075296|2.161224|2.786986|3.979545|2.541419|3.967463|2.609605|0.074267|4.213993|0.079722|0.092009|3.591776|4.339517|5.753704|9.622551|4.769350|3.886475|76.887690|12.906896|13.029946|36.858105| |2.114101|2.298372|2.406455|0.072438|2.059586|2.596937|3.570980|2.277026|3.618918|2.280253|0.064146|3.602160|0.069448|0.076545|3.084168|3.547240|4.690371|7.897005|4.330092|3.402025|49.700325|11.000645|8.743332|13.675301|36.858105| |1.894329|2.042807|2.098980|0.062083|1.821594|2.258064|3.076755|2.006506|3.243375|2.007270|0.056981|3.083327|0.059486|0.065441|2.578880|2.962600|3.746592|5.716814|3.336220|2.751698|33.828091|7.690190|6.796413|7.981913|13.832377|36.858105| |1.726914|1.874144|1.935020|0.056431|1.701773|2.110414|2.915301|1.938596|3.146223|1.965400|0.056639|2.979155|0.056974|0.064002|2.438706|2.859788|3.492892|5.001770|2.923749|2.519083|30.023682|6.552050|6.580758|6.926171|7.939391|13.687283|36.858105| |1.722478|1.891535|1.988519|0.057762|1.757855|2.207829|3.123513|2.092626|3.365065|2.162906|0.063169|3.296030|0.062226|0.072179|2.665716|3.223752|3.864087|5.361151|3.048607|2.697613|33.793946|6.898427|7.914030|7.989177|6.853935|7.921484|13.794676|36.858105| |1.882630|2.089155|2.245037|0.065850|1.969960|2.523219|3.649542|2.408738|3.794729|2.521528|0.073551|3.964140|0.074074|0.088261|3.242511|4.034639|4.937661|7.043680|3.754848|3.307099|49.825670|9.011351|11.710636|13.806649|7.873066|6.847511|7.931840|13.710253|36.858105| |1.550871|1.700870|1.786205|0.051233|1.605302|1.987851|2.832248|1.945117|3.161149|2.033101|0.060165|3.026931|0.057050|0.066666|2.377466|2.858468|3.227663|4.290669|2.546469|2.344064|26.061100|5.473852|6.603518|5.075482|4.445616|5.016570|7.557765|12.649761|7.664906|36.858105| |1.453263|1.580934|1.637017|0.046757|1.476637|1.802898|2.529663|1.745385|2.872550|1.802363|0.053057|2.645697|0.050284|0.057473|2.077831|2.444899|2.753436|3.668664|2.238456|2.054826|21.455108|4.683471|5.305334|4.031044|3.850445|4.627554|6.989550|8.131411|5.278673|14.461307|97.533100| |1.462247|1.592477|1.686823|0.048545|1.535289|1.861579|2.687945|1.863269|3.023635|1.980162|0.058437|2.960319|0.056251|0.066000|2.267460|2.666635|2.902432|3.937115|2.392758|2.251641|24.752403|5.341692|6.523868|4.499685|3.879098|4.176123|5.626219|8.153012|6.458572|14.425353|20.099117|97.533100| |1.579367|1.753348|1.847945|0.052412|1.662346|2.094010|3.003902|2.085853|3.394111|2.189450|0.066000|3.209856|0.059591|0.070889|2.511837|3.105864|3.433374|4.321715|2.558817|2.397511|25.176390|5.153856|6.641056|4.568926|3.880360|4.129099|5.515632|8.166569|6.652127|14.377772|20.083517|20.175458|97.533100| |2.327568|2.680859|3.349053|0.089442|3.626189|3.842407|7.157114|7.263993|11.009824|12.367791|0.244432|10.230475|0.205471|0.178615|5.022757|4.121147|3.116359|3.904381|3.054658|3.959634|18.911190|4.368510|5.350400|2.216294|1.965934|1.754479|1.724757|1.885223|2.159285|1.796377|3.620316|3.995213|4.314260|36.858105| |2.123393|2.405740|2.950405|0.080866|3.118537|3.331800|6.038644|5.467649|8.269940|9.009373|0.211416|9.821997|0.201461|0.195570|4.637571|3.953605|3.018872|3.847295|2.959896|3.818815|19.335357|4.475922|5.623885|2.255613|1.981005|1.767574|1.747675|1.926274|2.217156|1.845423|3.697770|4.154634|4.421758|17.475782|0.500000| |2.500322|2.815239|3.582865|0.096277|4.188577|3.806818|6.741873|6.252857|10.086185|7.449112|0.151857|8.248898|0.195739|0.139915|4.509105|3.515784|2.810909|3.660558|2.990033|3.894232|17.619985|4.213567|4.812204|2.057125|1.859982|1.657573|1.608871|1.730853|1.968268|1.634757|3.324279|3.636583|3.866147|12.418236|0.246550|36.858105| |2.114053|2.425499|2.897588|0.075619|3.144085|3.325285|5.689101|5.790681|10.411857|7.570379|0.200588|6.726102|0.129908|0.125759|3.847371|3.445562|2.705999|3.330564|2.541352|3.093687|16.179888|3.723194|4.525421|1.970398|1.765586|1.603700|1.593010|1.737222|1.951885|1.682486|3.424822|3.734072|4.078804|12.358546|0.247714|7.436319|36.858105| |1.867809|2.083615|2.430520|0.064320|2.670351|2.669575|4.348166|4.030274|7.327236|4.884597|0.130326|5.119813|0.103885|0.099574|3.020956|2.741569|2.248157|2.838205|2.165835|2.581253|14.112823|3.307622|3.924419|1.740419|1.573604|1.441769|1.435824|1.558135|1.731190|1.521165|3.119760|3.409590|3.658636|7.414131|0.191977|6.120780|12.456940|36.858105| |17.582256|8.729260|6.549862|0.166048|6.563268|4.409862|4.782222|3.100972|5.590243|2.555678|0.064445|3.542901|0.074460|0.064195|2.977652|2.566573|2.569129|3.538450|3.102988|3.103258|15.418865|3.878285|3.610686|1.923948|1.917193|1.727645|1.589373|1.593703|1.738927|1.448204|3.056255|3.094067|3.323270|2.339132|0.058975|2.569454|2.135849|1.905430|0.500000| |17.536464|8.763117|6.754459|0.207080|5.467928|4.562461|4.939172|3.031544|5.204710|2.556222|0.064803|3.709367|0.077837|0.067840|3.240674|2.803580|2.928183|4.207200|3.838643|3.595049|17.921342|4.593811|4.058264|2.216386|2.243680|1.989882|1.792845|1.779651|1.954138|1.588090|3.340692|3.377855|3.607209|2.287036|0.058679|2.464567|2.046460|1.817256|0.301458|0.500000| |17.572113|8.825522|5.430666|0.141976|4.606105|4.110230|4.345447|2.777165|4.958096|2.319213|0.059991|3.242538|0.066579|0.059816|2.792602|2.523411|2.640386|3.630376|3.098879|2.910711|15.610097|3.901812|3.580852|2.000402|2.035052|1.848263|1.685032|1.665723|1.798187|1.503530|3.196091|3.176912|3.439654|2.083698|0.053187|2.206461|1.923700|1.712961|0.303008|0.302065|0.500000| |8.853718|17.515942|8.838150|0.174422|6.868194|6.942206|6.277609|4.002633|7.466780|3.055934|0.078513|4.080642|0.081615|0.072953|3.601168|3.198137|3.184419|4.082129|3.446072|3.427404|17.008292|4.073323|4.019882|2.143590|2.104311|1.898293|1.765162|1.788043|1.957236|1.628215|3.421106|3.428783|3.806641|2.649236|0.065382|2.762105|2.462333|2.113155|0.211936|0.172803|0.211615|0.500000| |8.910224|17.502269|8.846856|0.212149|5.478010|7.277593|6.443589|3.771617|6.499402|2.998334|0.077867|4.245814|0.084183|0.076931|3.987538|3.622749|3.893143|5.126744|4.432690|4.010007|20.259569|4.854631|4.597448|2.547774|2.542723|2.254176|2.048735|2.051427|2.261536|1.825591|3.821061|3.804832|4.229219|2.531440|0.063950|2.586784|2.297132|1.971403|0.173234|0.209373|0.218148|0.304094|0.500000| |4.624160|5.442242|8.750795|0.212364|17.558829|6.806445|9.487533|6.375340|10.755869|4.800457|0.107426|6.476126|0.145373|0.105995|5.081989|3.695466|3.227908|4.316051|3.911251|4.865538|18.885107|4.622974|4.708687|2.200691|2.065662|1.817654|1.707192|1.781102|2.014168|1.631483|3.354470|3.538400|3.805717|4.373573|0.102529|5.387430|3.605200|3.029602|0.136107|0.123304|0.102719|0.140201|0.122840|0.500000| |6.743405|6.782004|8.785643|0.214052|17.597959|5.468269|6.425102|4.219949|7.526728|3.370950|0.080746|4.633870|0.101177|0.080619|3.769911|2.994202|2.806729|3.840592|3.471159|3.865947|16.837710|4.212988|4.065736|2.019602|1.950013|1.732738|1.611192|1.650115|1.835282|1.506610|3.136256|3.253051|3.481485|3.128342|0.076690|3.667764|2.746302|2.411800|0.229306|0.172103|0.137948|0.169215|0.138675|0.303621|0.500000| |5.398265|6.760540|8.770547|0.173489|17.557536|6.790452|7.663692|5.462653|10.900150|3.936845|0.094385|4.981701|0.104013|0.085215|4.033181|3.255350|2.945024|3.807406|3.285420|3.709780|16.531049|3.990768|4.079141|2.008388|1.914145|1.714681|1.617310|1.672844|1.857524|1.543230|3.208996|3.315442|3.620718|3.574339|0.084045|4.056668|3.246446|2.750084|0.166202|0.128071|0.121104|0.203547|0.140229|0.301907|0.301394|0.500000| |4.547393|7.018648|8.853268|0.174080|6.823954|17.633807|12.640351|7.724248|14.202128|4.847604|0.123581|6.078877|0.113785|0.103350|5.694693|4.911040|4.361626|5.070303|4.160993|4.523327|20.489621|4.661539|5.049705|2.502237|2.342541|2.080842|1.971443|2.062763|2.318387|1.887372|3.882780|3.971924|4.515076|3.760762|0.089067|3.674054|3.430048|2.733854|0.117092|0.112247|0.109816|0.209650|0.180799|0.167484|0.139874|0.201799|0.500000| |4.666108|7.113544|8.810814|0.213107|5.482322|17.612040|12.454567|5.960057|9.209547|4.420122|0.115106|6.380360|0.117772|0.111322|7.091881|6.387569|6.439303|7.331273|6.184558|5.981803|26.390770|5.876429|6.179307|3.149367|2.950301|2.541814|2.352451|2.448485|2.808713|2.170755|4.419675|4.508392|5.144349|3.357442|0.083607|3.239745|2.948394|2.405240|0.111563|0.123794|0.113113|0.173264|0.225366|0.139689|0.122919|0.139591|0.304308|0.500000| |2.430874|2.889593|3.453339|0.098702|3.023542|4.397836|7.749116|5.013170|6.968419|5.786700|0.177553|10.376723|0.157537|0.249036|8.824321|17.623027|8.987247|9.145726|5.494467|6.351833|43.119805|7.879123|14.328562|4.588351|3.575800|2.995773|2.958803|3.452885|4.460524|3.101622|5.832696|6.636589|7.642165|4.120861|0.115641|3.421174|3.434121|2.774644|0.063083|0.068507|0.061737|0.075477|0.083864|0.090101|0.073548|0.078646|0.108401|0.130502|0.500000| |2.720648|3.406511|4.053546|0.108660|3.445725|5.846932|10.081355|6.523790|9.080469|6.299721|0.201523|8.942918|0.137838|0.172661|8.797273|17.573215|8.849772|7.606464|4.959950|5.484253|31.067101|6.153971|8.541403|3.694275|3.119395|2.704304|2.658192|2.982121|3.577468|2.723653|5.317604|5.674433|6.820240|4.193693|0.108567|3.475983|3.685649|2.864290|0.070097|0.074362|0.069176|0.091313|0.099690|0.099776|0.081086|0.092339|0.150533|0.177858|0.302135|0.500000| |2.498749|2.972219|3.277864|0.094000|2.714279|4.082019|5.903962|3.653795|5.552361|3.622723|0.107244|5.709169|0.099637|0.120552|5.441891|8.877510|17.628017|12.404678|5.678902|4.884555|48.882887|8.266464|11.557083|6.633978|5.125642|4.198119|4.071417|4.696996|6.143533|3.871543|7.246467|7.578165|9.519728|2.828532|0.077292|2.520397|2.521486|2.121978|0.062870|0.070641|0.065217|0.077063|0.091811|0.076351|0.067454|0.071076|0.101715|0.136529|0.225488|0.209457|0.500000| |3.201251|4.036487|4.439406|0.125984|3.387356|5.889218|7.583391|4.266600|6.485271|3.818405|0.107718|5.905201|0.104839|0.114437|6.380126|8.736116|17.610217|12.636017|7.156328|5.692979|38.323813|7.504279|8.466006|4.760504|4.264110|3.530718|3.249091|3.448235|4.124424|2.919205|5.778261|5.851083|6.973760|2.927123|0.077088|2.691134|2.593686|2.157630|0.078161|0.089745|0.082600|0.102091|0.131057|0.092304|0.082518|0.087723|0.139154|0.231228|0.175083|0.217509|0.305421|0.500000| |3.339655|3.662808|4.290232|0.149718|3.459441|4.289733|5.975902|3.395172|5.122050|3.261351|0.084158|5.687866|0.116958|0.111289|5.455854|4.847937|5.690931|12.431793|17.689690|8.868080|49.057762|14.440373|9.110958|4.648410|4.419059|3.368139|2.885714|2.948440|3.581414|2.448263|4.880241|5.236033|5.414453|2.738772|0.074762|2.739835|2.294800|2.000062|0.082771|0.104953|0.082708|0.085925|0.109079|0.098217|0.090632|0.082360|0.096223|0.131552|0.122658|0.108345|0.127201|0.146413|0.500000| |4.213749|5.102605|6.050024|0.211883|4.250330|6.384284|7.845026|4.086103|6.155816|3.609335|0.093288|5.989405|0.117406|0.111050|6.550028|5.815126|7.240048|12.622473|17.613801|8.738620|38.304311|9.077515|7.790620|4.134449|3.956460|3.159766|2.762616|2.821418|3.347128|2.380946|4.792104|4.973858|5.418185|2.901806|0.076410|2.873147|2.466622|2.098158|0.099671|0.128716|0.102642|0.114806|0.162310|0.114971|0.106557|0.100825|0.132836|0.221736|0.130708|0.133607|0.146567|0.219376|0.303658|0.500000| |3.760109|4.329871|6.218801|0.226216|5.315575|6.068142|9.977637|5.207190|7.313886|4.850378|0.112918|9.171661|0.212803|0.154203|8.849527|5.463438|4.903379|7.606229|8.781539|17.582537|31.774369|8.007539|7.612278|3.239134|2.945544|2.440150|2.232320|2.352636|2.798885|2.071849|4.150328|4.501669|4.748547|3.968045|0.104143|4.194352|3.080295|2.601947|0.097878|0.113449|0.087752|0.102053|0.116320|0.169072|0.130744|0.117449|0.127428|0.156640|0.133067|0.124706|0.107837|0.128460|0.210605|0.210777|0.500000| |2.859078|3.239623|4.134276|0.133975|3.651253|4.490531|7.720606|4.481926|6.269293|4.817013|0.118801|10.415947|0.223887|0.208241|8.905921|6.455169|5.649880|9.471874|8.980599|17.545127|45.700547|11.146504|11.826908|4.051736|3.446203|2.773280|2.559766|2.780452|3.467901|2.420733|4.725958|5.330986|5.521203|3.909104|0.109990|3.801164|3.023140|2.572123|0.074537|0.085039|0.070017|0.079790|0.090910|0.113458|0.091704|0.087597|0.101700|0.125322|0.177653|0.134079|0.126840|0.131021|0.220472|0.174169|0.302602|0.500000| |2.284842|2.454088|2.555453|0.078288|2.165941|2.694235|3.645845|2.291417|3.643490|2.263312|0.062668|3.597042|0.070358|0.075203|3.121459|3.443675|4.538387|8.189358|4.784875|3.582834|47.407149|12.065902|8.033919|8.879811|17.747975|8.922845|5.640608|4.944618|5.623123|3.555279|7.146286|7.202897|7.198695|1.957203|0.054465|1.880475|1.746598|1.558504|0.057106|0.068399|0.061025|0.061520|0.075811|0.059993|0.057417|0.055364|0.066716|0.085184|0.094033|0.083596|0.128554|0.118169|0.142849|0.122485|0.087330|0.099542|0.500000| |1.858779|1.977423|2.000007|0.059125|1.740024|2.117001|2.841661|1.858159|3.032564|1.840845|0.051933|2.799829|0.054507|0.058801|2.334720|2.617995|3.251584|4.943827|3.030778|2.503944|27.910075|6.692000|5.695042|5.662211|8.950947|17.745347|8.904878|5.645225|4.940999|4.089848|9.028441|7.884742|7.767864|1.623684|0.045249|1.549101|1.491586|1.348572|0.047029|0.054372|0.050843|0.051060|0.060718|0.047895|0.046352|0.045565|0.054449|0.065936|0.072532|0.067155|0.098189|0.087742|0.086228|0.081506|0.062856|0.069490|0.214878|0.500000| |1.602707|1.727327|1.765953|0.051145|1.566101|1.913446|2.626102|1.765718|2.896352|1.784993|0.051489|2.665530|0.051199|0.056988|2.157817|2.495879|2.969222|4.172462|2.525848|2.211273|24.256548|5.454095|5.473507|4.982718|5.655597|8.910446|17.757622|8.944182|5.647409|6.983269|17.923173|11.862499|11.495428|1.582825|0.044495|1.480675|1.476716|1.340179|0.041130|0.046023|0.043740|0.045515|0.052279|0.043506|0.041359|0.041596|0.050167|0.058809|0.071356|0.065580|0.094573|0.078341|0.069410|0.067256|0.055220|0.062163|0.124180|0.215223|0.500000| |1.841286|2.055722|2.242521|0.065344|1.991052|2.551752|3.793325|2.543484|3.976253|2.735116|0.081024|4.314345|0.079533|0.098794|3.425993|4.356572|4.946008|6.702847|3.653781|3.390319|47.501707|8.438039|13.723104|8.930058|5.620260|4.942097|5.640496|8.875669|17.757526|7.105319|10.807583|14.987604|15.770480|2.335810|0.067423|2.091601|2.106907|1.862503|0.047605|0.052795|0.048562|0.053821|0.061107|0.057159|0.051206|0.052313|0.065397|0.077776|0.142267|0.107182|0.170945|0.111449|0.095170|0.089460|0.079107|0.100618|0.123931|0.107378|0.124089|0.500000| |2.238810|2.460919|3.021937|0.081962|3.518636|3.138032|5.263912|4.649538|7.865312|5.465605|0.123002|6.408620|0.149699|0.116563|3.637392|2.975751|2.447905|3.223518|2.600196|3.273242|15.873938|3.838597|4.336673|1.880185|1.709059|1.535633|1.496551|1.607014|1.811747|1.529478|3.124796|3.427014|3.604645|8.817297|0.216735|17.618892|6.704123|6.760617|0.064366|0.061497|0.055497|0.067367|0.063108|0.120532|0.088980|0.095694|0.084983|0.076054|0.081986|0.081745|0.062003|0.065093|0.067487|0.069307|0.097336|0.090875|0.047924|0.040008|0.038462|0.053477|0.500000| |2.654656|2.959701|3.865359|0.107835|4.491041|3.975633|7.117705|5.898923|8.936032|6.811850|0.138379|9.156476|0.252225|0.151719|4.975725|3.679107|2.968670|3.981949|3.354767|4.558319|19.185920|4.667678|5.201537|2.186925|1.976910|1.742572|1.675724|1.797674|2.061576|1.679121|3.403451|3.740411|3.934828|8.646780|0.207600|17.490085|5.406017|4.622277|0.075498|0.074042|0.064316|0.078610|0.075462|0.167061|0.110585|0.114124|0.101996|0.094238|0.099279|0.097176|0.072878|0.078294|0.086150|0.088142|0.142217|0.125038|0.055985|0.045211|0.042622|0.060587|0.305325|0.500000| |2.717069|3.083297|3.944610|0.102123|4.914290|4.121572|6.996411|6.720775|12.070220|6.595973|0.138758|7.080050|0.159532|0.118692|4.289034|3.362181|2.738210|3.533774|2.909640|3.689422|16.630565|3.978283|4.442183|1.968210|1.800474|1.611604|1.559057|1.663711|1.876389|1.569201|3.212486|3.463416|3.714148|8.763377|0.173261|17.586816|6.830047|5.554067|0.078725|0.073047|0.066191|0.085514|0.077013|0.178845|0.116939|0.137585|0.113816|0.094469|0.088205|0.094330|0.067934|0.074581|0.073745|0.079807|0.112321|0.096386|0.050785|0.042069|0.039991|0.054855|0.301853|0.301230|0.500000| |2.250163|2.608379|3.102560|0.078868|3.433190|3.573689|5.931721|6.308372|12.989813|6.848367|0.178182|6.127809|0.118436|0.111013|3.759043|3.351104|2.673357|3.265240|2.512475|3.014143|15.530268|3.580834|4.250952|1.907148|1.726999|1.572958|1.555846|1.682465|1.877786|1.623741|3.326886|3.572480|3.935214|8.830314|0.174447|6.794583|17.586750|8.833685|0.063546|0.059635|0.056841|0.074934|0.067865|0.107982|0.082186|0.101957|0.106130|0.086294|0.089750|0.101598|0.068779|0.072773|0.062757|0.069107|0.084424|0.079714|0.047672|0.040838|0.040166|0.055700|0.164819|0.139440|0.203800|0.500000| |2.005772|2.312966|2.718353|0.071201|2.844845|3.193729|5.424440|5.357154|9.412400|7.186782|0.228756|6.517709|0.119703|0.127587|3.793356|3.601086|2.800537|3.378087|2.509154|3.000532|16.531590|3.740099|4.690669|2.037546|1.810536|1.652043|1.657365|1.824292|2.048493|1.783809|3.617908|3.956801|4.377476|8.866116|0.214747|5.470846|17.519575|8.907131|0.055652|0.053998|0.051155|0.065273|0.061877|0.088370|0.069222|0.081368|0.091865|0.080722|0.101687|0.109757|0.073754|0.073977|0.062598|0.067400|0.080747|0.081935|0.049262|0.042476|0.042691|0.062036|0.138388|0.122251|0.140483|0.303840|0.500000| 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