Version2.0 2020-02-04T06:39:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(o1)[C@H](C(=O)NC(C)(C)C)N(c2cccc(c2)C(F)(F)F)C(=O)c3c(c(ns3)C(=O)N)N C12478405 RHF 6-31G(d) (6D,7F) Cc1ccc(o1)[C@H](C(=O)NC(C)(C)C)N(c2cccc(c2)C(F)(F)F)C(=O)c3c(c(ns3)C(=O)N)N C01[X(C23H24F3N5O4S1)] 174 C1 592 O=C([C@H](N(C(=O)c1snc(c1N)C(=O)N)c1cccc(c1)C(F)(F)F)c1ccc(o1)C)NC(C)(C)C O=C([C@H](N(C(=O)c1snc(c1N)C(=O)N)c1cccc(c1)C(F)(F)F)c1ccc(o1)C)NC(C)(C)C Cc1oc(cc1)[C@@H](N(C(=O)c2snc(C(N)=O)c2N)c3cccc(c3)C(F)(F)F)C(=O)NC(C)(C)C InChIKey=KGRAAEVTZFTPES-QGZVFWFLSA-N InChI=1S/C23H24F3N5O4S/c1-11-8-9-14(35-11)17(20(33)29-22(2,3)4)31(13-7-5-6-12(10-13)23(24,25)26)21(34)18-15(27)16(19(28)32)30-36-18/h5-10,17H,27H2,1-4H3,(H2,28,32)(H,29,33)/t17-/m1/s1 InChI=1/C23H24F3N5O4S/c1-11-8-9-14(35-11)17(20(33)29-22(2,3)4)31(13-7-5-6-12(10-13)23(24,25)26)21(34)18-15(27)16(19(28)32)30-36-18/h5-10,17H,27H2,1-4H3,(H2,28,32)(H,29,33)/t17-/m1/s1/f/h29H,28H2 Cc1ccc(o1)[C@H](C(=O)NC(C)(C)C)N(c2cccc(c2)C(F)(F)F)C(=O)c3c(c(ns3)C(=O)N)N C01[X(C23H24F3N5O4S1)] 174 C01 592 O=C([C@H](N(C(=O)c1snc(c1N)C(=O)N)c1cccc(c1)C(F)(F)F)c1ccc(o1)C)NC(C)(C)C O=C([C@H](N(C(=O)[C@@H]1SN[C@@H]([C@@H]1N)C(=O)N)c1cccc(c1)C(F)(F)F)c1ccc(o1)C)NC(C)(C)C Cc1oc(cc1)[C@@H](N(C(=O)[C@@H]2SN[C@@H]([C@@H]2N)C(N)=O)c3cccc(c3)C(F)(F)F)C(=O)NC(C)(C)C InChIKey=FJEMJZSXQLDETB-WNRNVDISSA-N InChI=1S/C23H28F3N5O4S/c1-11-8-9-14(35-11)17(20(33)29-22(2,3)4)31(13-7-5-6-12(10-13)23(24,25)26)21(34)18-15(27)16(19(28)32)30-36-18/h5-10,15-18,30H,27H2,1-4H3,(H2,28,32)(H,29,33)/t15-,16-,17+,18+/m0/s1 InChI=1/C23H28F3N5O4S/c1-11-8-9-14(35-11)17(20(33)29-22(2,3)4)31(13-7-5-6-12(10-13)23(24,25)26)21(34)18-15(27)16(19(28)32)30-36-18/h5-10,15-18,30H,27H2,1-4H3,(H2,28,32)(H,29,33)/t15-,16-,17+,18+/m0/s1/f/h29H,28H2 4361.1026437136 -2152.5091439 1-A 19034.8693 136 456 592 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.00294 -26.33897 -26.33574 -26.33197 -20.63478 -20.53875 -20.53168 -20.52744 -15.61904 -15.60328 -15.58747 -15.58210 -15.56119 -11.50365 -11.36883 -11.36758 -11.35090 -11.30949 -11.30035 -11.29874 -11.29502 -11.29492 -11.28625 -11.27928 -11.26329 -11.26001 -11.25856 -11.25810 -11.24924 -11.24799 -11.24026 -11.23847 -11.22919 -11.22386 -11.20697 -11.20430 -9.00915 -6.69190 -6.69001 -6.68840 -1.73475 -1.63353 -1.62804 -1.48068 -1.40874 -1.40644 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0.8387 0.8069 0.8457 0.3600 0.4440 0.8404 0.3139 0.3014 0.2863 0.3540 0.2407 0.8442 0.7334 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 6 6 6 6 6 8 6 1 6 8 7 6 6 6 6 7 6 6 6 6 6 6 6 9 9 9 6 8 6 6 6 7 16 6 8 7 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 12.00000 15.99491 12.00000 12.00000 12.00000 14.00307 31.97207 12.00000 15.99491 14.00307 14.00307 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 15735.8453 21104.6326 32829.4329 0.99878 -0.04935 -0.00210 0.04935 0.99878 -0.00023 0.00211 0.00012 1.00000 1 0.00550 0.00410 0.00264 0.11469 0.08551 0.05497 7.52 17.54 18.34 35.29 40.98 47.51 49.42 55.43 66.96 85.62 90.85 108.43 138.37 155.13 176.55 183.18 205.93 218.69 225.94 248.65 267.10 302.99 330.30 346.75 353.99 377.53 390.67 403.82 412.20 419.60 453.11 454.39 470.12 487.55 500.59 504.25 525.05 537.27 541.48 544.99 600.54 612.93 628.44 643.70 654.15 665.25 698.94 709.07 717.19 736.16 759.81 793.38 804.41 826.46 884.09 914.64 919.81 946.99 956.68 981.38 1002.65 1021.97 1028.17 1042.34 1063.94 1078.64 1095.46 1121.13 1148.04 1181.41 1212.99 1225.23 1265.11 1277.39 1299.58 1310.36 1324.25 1345.10 1365.96 1407.55 1451.00 1452.71 1454.75 1475.25 1512.44 1518.26 1523.00 1537.77 1553.62 1555.13 1574.88 1600.23 1630.65 1637.36 1667.78 1686.61 1692.10 1694.08 1700.00 1709.80 1733.60 1743.28 1771.19 1812.12 1858.55 1894.05 1896.64 1927.06 1934.76 1946.19 1974.77 1980.56 1984.06 1989.90 2014.97 2026.78 2075.22 2093.94 2111.66 2139.02 2197.74 2207.33 2225.16 2237.63 2238.98 2259.44 2279.11 2299.20 2312.70 2327.59 2328.12 2333.97 2350.90 2357.07 2357.70 2361.55 2379.78 2396.90 2403.32 2474.57 2499.68 2526.97 2567.05 2575.92 2586.71 2620.26 2627.04 2680.33 2803.16 2812.86 4603.52 4614.50 4623.41 4626.82 4688.36 4698.93 4703.23 4706.79 4728.40 4751.55 4769.54 4776.48 4784.61 4861.46 4887.27 4919.24 4936.47 4938.91 4959.05 5518.61 5530.29 5570.16 5715.78 5722.70 0.493820 0.527276 0.528220 0.421973 -2152.015324 -2151.981868 -2151.980924 -2152.087171 3.563542D-04 MUNgauss RevisionA2.0 retrievium 04-Feb-2020 DUDE Cc1ccc(o1)[C@H](C(=O)NC(C)(C)C)N(c2cccc(c2)C(F)(F)F)C(=O)c3c(c(ns3)C(=O)N)N C12478405 RHF 6-31G(d) (6D,10F) C1 523.150111 |X|Y|Z| 102.008579 85.713461 35.808645 67.903351 19 6 7 8 16 15 2 1 1 |36.858105| |12.791835|36.858105| |7.321796|14.194203|36.858105| |5.143796|8.569304|13.232028|36.858105| |5.334395|8.728237|8.570320|14.210490|36.858105| |7.891693|14.145770|8.653020|8.650771|14.110047|73.516695| |3.922550|5.302969|5.139528|7.358570|12.722176|13.827279|36.858105| |3.386874|4.484457|4.706106|7.035483|9.159753|10.295717|17.664901|0.500000| |3.680899|4.570922|4.155983|5.143014|7.565983|11.616827|12.325808|0.249342|36.858105| |3.351003|3.899786|3.462292|4.032758|5.541036|9.509084|7.921079|0.171756|15.870324|73.516695| |3.565231|4.372496|4.097600|4.942286|6.430486|10.116348|7.872567|0.202756|14.166404|15.016112|53.358707| |3.105729|3.530991|3.274931|3.663374|4.386306|7.572868|4.949841|0.131158|7.574832|11.648134|17.602226|36.858105| |3.362804|3.602946|3.164447|3.334808|4.011983|7.652566|4.246263|0.106267|6.152776|10.829053|10.503201|12.424157|36.858105| |2.908846|3.280604|3.168398|3.470798|3.836640|6.552147|4.013170|0.112280|5.131816|7.785915|10.802313|12.437720|7.603170|36.858105| |2.539120|2.838621|2.682277|3.023741|3.549531|5.996448|4.239659|0.116513|6.146708|10.869387|10.515395|12.426884|7.548182|7.604937|36.858105| |3.482854|4.398208|4.207124|5.455686|7.681054|10.633653|13.020347|0.258569|7.663209|12.361011|7.050445|3.817915|3.475876|3.139819|3.542844|53.358707| |3.837290|4.643003|4.178286|4.882434|6.580614|11.055544|7.631492|0.159324|5.732314|10.228771|5.686667|3.295295|3.214492|2.749296|3.026476|18.140690|36.858105| |3.702044|4.126844|3.539198|3.867310|5.062815|9.630973|5.725620|0.123625|5.325751|10.818573|5.350554|3.278367|3.370368|2.675916|3.051016|10.583279|13.739654|36.858105| |3.672627|3.810100|3.231663|3.327812|4.063714|8.146885|4.178025|0.095512|3.944858|7.761888|4.304241|2.754687|2.915919|2.322909|2.562678|6.980165|7.939608|13.740849|36.858105| |3.781798|3.878339|3.353199|3.357150|3.890682|7.740974|3.761455|0.088475|3.365995|6.248700|3.810607|2.431335|2.536421|2.116856|2.244488|6.170621|6.869597|7.935143|13.787423|36.858105| |3.938501|4.311315|3.891969|3.967787|4.476997|8.451860|4.182142|0.099264|3.466232|6.134147|3.931517|2.440827|2.470852|2.154952|2.236287|7.011372|7.941279|6.875338|7.949648|13.722805|36.858105| |3.966823|4.775595|4.459270|4.985239|5.922049|10.113237|5.722784|0.131904|4.285215|7.334030|4.671760|2.778639|2.725056|2.424317|2.535800|10.676207|13.720168|7.927766|6.877061|7.930921|13.776563|36.858105| |3.623834|3.840720|3.643701|3.560501|3.700483|6.884601|3.348079|0.083329|2.810307|4.886731|3.331966|2.106828|2.125073|1.913876|1.934117|5.256052|5.039212|4.459079|5.058193|7.637995|12.681908|7.601842|36.858105| |3.007185|3.076655|2.916216|2.858225|2.978108|5.539162|2.793043|0.070543|2.431811|4.318065|2.909958|1.881082|1.910099|1.713236|1.754222|4.384481|4.075505|3.864616|4.582213|6.773722|8.134593|5.403270|14.383368|97.533100| |3.265284|3.611143|3.657888|3.687721|3.659384|6.405409|3.323800|0.085502|2.712182|4.623070|3.250254|2.039839|2.012673|1.876376|1.882383|5.200009|4.626252|3.853564|4.024438|5.285384|8.114834|6.964481|14.407835|20.092369|97.533100| |4.232683|4.253297|3.971976|3.613002|3.647330|7.103200|3.141390|0.078231|2.688914|4.620778|3.267587|2.084430|2.129201|1.918307|1.883400|4.637373|4.257790|3.894414|4.414522|6.202089|8.132329|5.804927|14.353812|20.173963|20.134095|97.533100| |2.788409|3.364701|3.314525|4.176478|5.183633|7.512163|7.979174|0.214743|6.148132|10.712786|6.128144|3.510856|3.115912|2.918483|3.498428|18.904692|7.682322|5.829599|4.187011|3.718450|4.087275|5.568144|3.250355|6.392142|7.416159|6.405703|36.858105| |2.575927|3.104113|3.124071|3.981352|4.762555|6.782617|7.365760|0.237285|6.239635|10.336209|6.631938|3.797600|3.195433|3.178850|3.926097|11.639220|5.359297|4.434563|3.379313|3.037634|3.291027|4.238583|2.740497|5.455665|6.316429|5.558286|15.721426|73.516695| |2.434305|2.819122|2.766631|3.296876|3.858487|6.003112|5.035827|0.135395|4.291889|7.986761|4.598468|2.821208|2.597956|2.401851|2.874390|10.403976|6.389765|5.357685|4.138218|3.729984|4.026944|5.128034|3.246492|6.634298|7.423001|6.201724|12.913236|14.621083|36.858105| |2.079100|2.364452|2.346182|2.750646|3.104511|4.892107|3.908677|0.110239|3.541886|6.609971|4.003831|2.549466|2.330975|2.208905|2.685809|6.926861|4.376172|3.951832|3.264756|2.986100|3.153731|3.762638|2.678492|5.632701|6.183278|5.220080|7.651796|12.177425|13.825707|36.858105| |1.903451|2.117566|2.092668|2.381504|2.635111|4.282169|3.133141|0.086656|2.873053|5.400710|3.323196|2.166258|2.031839|1.904663|2.263376|5.408602|3.764740|3.535858|3.104790|2.904605|3.023118|3.420861|2.628529|5.715317|6.055089|5.065198|5.124245|8.055667|8.253294|13.081338|36.858105| |1.997580|2.205036|2.159654|2.423218|2.685462|4.441592|3.110414|0.083687|2.811135|5.298613|3.226272|2.095154|2.001987|1.841555|2.143850|5.504834|4.128456|3.913324|3.544713|3.376481|3.504790|3.866699|3.023770|6.691403|6.898727|5.669702|4.842049|7.169077|7.709749|8.201286|14.869203|53.358707| |2.408720|2.705500|2.616144|2.970388|3.393960|5.592843|3.978961|0.102798|3.438264|6.468086|3.793223|2.389762|2.293710|2.068284|2.383426|7.792100|6.310341|5.640722|4.843738|4.572163|4.895672|5.738310|3.891581|8.259038|8.716605|7.035500|6.525143|8.505573|10.902423|7.472063|7.838088|15.869957|388.023441| |1.655839|1.818114|1.805683|2.026008|2.199214|3.610257|2.552840|0.071537|2.400240|4.491141|2.865006|1.912835|1.797815|1.708929|2.022259|4.156757|2.904816|2.788351|2.527470|2.390864|2.459925|2.701152|2.209004|4.882831|5.100252|4.342336|3.752961|6.319511|5.084008|7.281228|12.690707|10.770190|35.061639|36.858105| |1.573416|1.730285|1.727750|1.945235|2.100308|3.428167|2.448893|0.069774|2.335493|4.344562|2.831018|1.907924|1.773626|1.715394|2.047395|3.869852|2.634580|2.525257|2.272703|2.140603|2.203726|2.433452|1.990151|4.363729|4.605709|3.974523|3.515282|6.231175|4.445648|6.441543|8.056682|7.417578|28.267775|15.810069|73.516695| |1.560145|1.690972|1.674431|1.847489|1.988126|3.315784|2.248629|0.062331|2.118409|3.963301|2.550261|1.717023|1.637398|1.545388|1.797092|3.623665|2.624166|2.558204|2.398058|2.305856|2.350471|2.503472|2.149959|4.861339|4.945532|4.220492|3.115151|5.173641|4.061048|5.056954|7.944652|9.592395|31.264561|14.220325|15.099432|53.358707| |1.940277|2.207209|2.212130|2.605016|2.901063|4.532480|3.669147|0.108017|3.445587|6.337149|4.029331|2.605802|2.325259|2.278632|2.829844|5.946296|3.621170|3.311512|2.763150|2.530422|2.658965|3.137737|2.307373|4.845881|5.345827|4.612991|6.369210|12.545966|7.783357|14.233447|7.777346|7.281029|34.987287|6.300826|12.087726|5.968164|53.358707| |17.557228|8.934606|5.781359|4.476584|4.829693|12.494113|3.749817|0.090093|3.755162|6.148728|5.096926|3.379211|3.831361|3.163606|2.705895|4.455749|3.527466|3.533230|3.473764|3.420705|3.424352|3.474408|3.098274|5.969678|6.306388|7.860288|2.666539|4.442712|2.322778|2.004271|1.830109|2.592708|16.139514|1.601983|2.721492|2.051065|2.570727|0.500000| |17.559105|8.949340|5.816610|4.492989|4.835785|12.433382|3.744117|0.088763|3.497864|5.865749|4.435740|2.857498|3.119243|2.619348|2.401349|4.782788|4.097022|4.074913|4.270723|4.541178|4.588031|4.339267|4.188068|7.781392|8.061971|11.377368|2.806958|4.514007|2.502522|2.121991|1.965719|2.848386|18.127444|1.702431|2.850940|2.197764|2.657838|0.301559|0.500000| |17.600037|8.985232|6.841761|4.620743|4.427706|10.211136|3.344594|0.083169|3.116173|5.051147|4.198098|2.738415|2.917117|2.647462|2.273608|4.088216|3.252020|3.104634|3.115921|3.284554|3.470089|3.449057|3.372570|6.387376|6.992270|9.102131|2.473856|4.109926|2.190904|1.898716|1.753056|2.499900|15.494984|1.540757|2.610080|1.986498|2.426194|0.300435|0.300628|0.500000| |6.324695|8.827796|17.799822|8.443183|5.842383|10.469117|4.035683|0.106816|3.390436|5.160329|4.643134|2.845391|2.761478|2.835022|2.375123|4.700614|3.452016|2.991471|2.808710|2.964859|3.419562|3.761042|3.372042|6.185548|7.759765|8.480217|2.843383|4.820201|2.441478|2.111978|1.910069|2.682572|16.640290|1.670053|2.848586|2.123929|2.727084|0.140741|0.141851|0.189778|0.500000| |4.033579|5.839568|8.437916|17.785898|8.835933|10.465013|6.391376|0.195825|4.529397|6.409725|6.057340|3.373418|2.985152|3.282178|2.876265|6.785737|4.274909|3.389563|2.931422|2.970165|3.519023|4.404501|3.249243|5.981843|7.868275|7.278183|4.098961|7.195417|3.258889|2.774371|2.390512|3.268309|20.511038|2.048111|3.521961|2.530285|3.630389|0.100089|0.100493|0.105029|0.192988|0.500000| |3.685690|4.702362|4.658155|5.847880|7.109365|10.378631|7.713284|0.219132|9.515547|10.901634|26.064369|9.004962|6.036785|7.887710|5.957753|6.656471|3.944334|3.569566|2.936648|2.682597|2.835098|3.385493|2.451587|4.776940|5.463865|5.459866|4.220493|8.168618|3.186761|2.786797|2.327918|3.082291|18.873328|2.017202|3.548066|2.452809|3.825446|0.105692|0.091224|0.090035|0.107195|0.148292|0.500000| |3.982089|4.189820|3.570600|3.622906|4.314818|8.697951|4.227665|0.104400|5.676652|9.428968|9.582355|8.792798|17.549548|6.958134|5.490024|4.643567|3.232700|3.353831|2.959345|2.619567|2.564270|2.803310|2.221255|4.454686|4.710464|5.095965|2.967527|5.311018|2.481535|2.204469|1.939464|2.630603|15.885140|1.713208|2.986241|2.139168|2.957943|0.131678|0.099606|0.094719|0.086123|0.087943|0.168391|0.500000| |2.922600|3.044508|2.723942|2.828638|3.274796|6.191489|3.437510|0.088530|4.629124|8.364648|7.609022|8.811831|17.544560|6.936629|6.882781|3.976256|2.733639|2.880481|2.558945|2.249556|2.179721|2.364926|1.904778|3.902010|4.069075|4.305086|2.691917|4.940432|2.305640|2.110819|1.862947|2.490460|14.628065|1.672948|2.951320|2.085101|2.891719|0.092424|0.075860|0.072140|0.067641|0.071717|0.130838|0.300781|0.500000| |3.361193|3.566800|3.071622|3.248445|4.024850|7.826951|4.406529|0.106546|6.598024|13.380328|9.423989|8.782541|17.623306|5.512660|6.874589|5.119270|3.550529|3.892899|3.323991|2.795914|2.663577|2.925700|2.245480|4.558688|4.725572|5.010866|3.357862|5.977573|2.818791|2.503563|2.183945|2.945097|17.783703|1.916013|3.336744|2.374343|3.354054|0.105204|0.089359|0.079803|0.073964|0.080293|0.146723|0.300958|0.300920|0.500000| |2.674207|3.070394|3.075123|3.469719|3.730257|6.079279|3.983316|0.117532|4.826024|7.196301|9.776907|8.765809|5.502855|17.538885|6.940326|4.242969|2.667633|2.541309|2.197763|2.022409|2.086396|2.370336|1.866075|3.758852|4.172362|4.179675|2.967330|5.915416|2.430664|2.261191|1.934463|2.520166|14.665169|1.742747|3.134508|2.132622|3.226905|0.078718|0.067238|0.068468|0.077129|0.094431|0.216801|0.141519|0.141180|0.122889|0.500000| |2.605043|2.839239|2.726240|2.911633|3.176143|5.555277|3.309279|0.092003|4.139210|6.685868|7.724090|8.816463|6.926687|17.576703|6.931157|3.690046|2.426575|2.404987|2.125079|1.937666|1.950798|2.157793|1.746216|3.557177|3.839353|3.946138|2.560553|4.922831|2.163979|2.018264|1.762576|2.318710|13.425553|1.600049|2.865566|1.980513|2.843464|0.079302|0.065880|0.066612|0.069043|0.076952|0.151717|0.171435|0.207939|0.141237|0.301626|0.500000| |3.273432|3.694406|3.569331|3.791713|4.085976|7.146112|3.984714|0.109837|4.824950|7.184735|9.761031|8.760745|6.938471|17.533002|5.502201|4.197079|2.752708|2.659382|2.338031|2.158973|2.210799|2.472768|1.979235|3.959333|4.360368|4.526436|2.789136|5.276826|2.304305|2.096879|1.825067|2.428404|14.364320|1.633596|2.894476|2.025051|2.901929|0.100264|0.079721|0.083143|0.088932|0.097863|0.220008|0.209207|0.171521|0.141418|0.300135|0.301661|0.500000| |2.526283|2.809466|2.617781|2.954484|3.551302|6.053578|4.402169|0.117253|6.595590|13.465057|9.439232|8.781102|6.865943|5.513025|17.627725|5.241418|3.298146|3.414335|2.818041|2.411810|2.371223|2.691389|2.019716|4.138917|4.389744|4.376962|3.868759|7.612777|3.194423|2.975269|2.488918|3.201023|18.647857|2.203799|3.949954|2.650689|4.238853|0.074310|0.067599|0.062301|0.064042|0.077516|0.145302|0.140350|0.169504|0.204820|0.141512|0.141235|0.122854|0.500000| |2.326111|2.534201|2.393542|2.628308|3.004768|5.199585|3.434372|0.094302|4.627950|8.388120|7.615137|8.817667|6.891659|6.936211|17.543274|4.031504|2.613877|2.671131|2.307290|2.035793|2.011460|2.236414|1.761749|3.630358|3.849436|3.884926|2.932082|5.741970|2.496236|2.368772|2.040107|2.638304|15.093452|1.852835|3.346891|2.263369|3.398045|0.069472|0.061227|0.058505|0.059831|0.069698|0.129764|0.140798|0.206362|0.169984|0.171373|0.208038|0.141195|0.300802|0.500000| |2.378010|2.698712|2.623976|3.022802|3.466858|5.630001|4.213165|0.122659|5.662799|9.464585|9.591691|8.796394|5.490807|6.967172|17.556537|4.789503|2.923746|2.861551|2.401085|2.135152|2.161995|2.477057|1.886012|3.846800|4.187762|4.109786|3.594721|7.526766|2.932210|2.789502|2.319384|2.945631|16.918165|2.083605|3.795727|2.497057|4.113970|0.069169|0.062375|0.059830|0.064975|0.082050|0.164589|0.122965|0.140744|0.140430|0.209519|0.171799|0.141580|0.301183|0.300755|0.500000| |3.390615|3.744579|3.231669|3.562980|4.684424|8.784765|5.674162|0.123604|6.022546|14.058574|5.854224|3.658126|3.795060|2.877688|3.484836|9.760332|8.968230|17.774652|8.874105|5.639560|4.958039|5.657331|3.565153|7.167836|7.159409|7.231507|5.891784|8.303305|5.283226|4.037495|3.530116|5.115664|36.002966|2.814742|4.597482|3.470061|4.722091|0.093215|0.100736|0.079403|0.076353|0.087833|0.104051|0.101357|0.089472|0.126965|0.075271|0.072095|0.077867|0.112423|0.083971|0.089071|0.500000| |3.338936|3.332782|2.830504|2.873325|3.442521|6.945548|3.556978|0.083167|3.548075|7.175619|3.975095|2.634821|2.858341|2.221614|2.481666|5.660089|5.649927|8.926196|17.732050|8.935146|5.651642|4.955258|4.119234|8.879243|7.538237|8.436401|3.580713|5.329432|3.589424|2.960283|2.861632|4.397270|29.350449|2.388004|3.838995|3.116811|3.472164|0.090439|0.107361|0.079590|0.069455|0.071035|0.074645|0.080010|0.070785|0.091735|0.057960|0.057250|0.061824|0.076291|0.062982|0.063917|0.213869|0.500000| |3.486033|3.413602|2.978313|2.906904|3.258286|6.505469|3.118050|0.075207|2.861199|5.310421|3.337165|2.179041|2.295495|1.924547|2.021719|4.914197|4.951351|5.644445|8.923601|17.731335|8.908866|5.645600|7.091136|16.659838|10.863562|13.924340|3.084242|4.617542|3.138515|2.611683|2.596723|4.100991|27.290740|2.193007|3.499352|2.930234|3.055923|0.088257|0.117634|0.086309|0.075083|0.072317|0.065576|0.066072|0.057427|0.069809|0.051025|0.049462|0.054669|0.059988|0.051614|0.053405|0.123948|0.215219|0.500000| |3.755943|4.686496|4.764060|5.576649|6.043925|9.403515|5.646283|0.139019|4.022621|6.610730|4.533498|2.675481|2.561856|2.388345|2.441614|9.865920|8.941644|5.652483|4.958063|5.639789|8.906050|17.767371|7.005131|11.163515|17.682985|12.413361|5.439279|7.622899|4.921187|3.707758|3.342950|5.032564|37.039618|2.667219|4.308235|3.349867|4.278768|0.090489|0.109880|0.093525|0.113024|0.143011|0.094035|0.073336|0.062119|0.074740|0.065887|0.058797|0.067946|0.070846|0.059830|0.067398|0.124669|0.107630|0.124056|0.500000| |1.609172|1.736688|1.712225|1.876844|2.021838|3.398486|2.264097|0.062034|2.117726|3.968474|2.534998|1.700476|1.635797|1.527906|1.760789|3.689940|2.744339|2.689656|2.564390|2.491296|2.530413|2.654024|2.319757|5.318275|5.312182|4.501860|3.106320|5.030266|4.086035|4.763961|7.490586|11.071013|34.400401|9.333762|10.821528|26.096907|5.372835|0.042996|0.046603|0.041791|0.044322|0.052142|0.049779|0.043857|0.042402|0.048569|0.042804|0.039910|0.041087|0.053008|0.045237|0.049557|0.073378|0.067923|0.064900|0.071913|0.500000| |1.443253|1.555863|1.544083|1.693680|1.809089|3.027997|2.028367|0.056493|1.928381|3.595849|2.351775|1.599046|1.526317|1.450436|1.679519|3.199992|2.310538|2.263279|2.138543|2.063067|2.095977|2.215190|1.940566|4.403047|4.465460|3.854888|2.714234|4.597722|3.388220|4.136958|5.747237|7.013317|25.429750|9.463389|13.641295|26.079739|5.187052|0.038844|0.041370|0.037682|0.040200|0.047460|0.046277|0.040688|0.039931|0.044962|0.040912|0.038139|0.038768|0.050292|0.043495|0.047713|0.062947|0.057221|0.054017|0.060749|0.307041|0.500000| 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