Version2.0 2020-01-15T17:26:36Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 08-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1c(sc2c1c(nc(n2)SCc3ccc(cc3)F)N4CC[NH+](CC4)CC(=O)N5CCCCC5)C C34761823 RHF 6-31G(d) (6D,7F) CCc1c(sc2c1c(nc(n2)SCc3ccc(cc3)F)N4CC[NH+](CC4)CC(=O)N5CCCCC5)C C01[X(C27H35F1N5O1S2)] 207 C1 618 CCc1c(C)sc2c1c(nc(n2)SCc1ccc(cc1)F)N1CC[NH+](CC1)CC(=O)N1CCCCC1 CCc1c(C)sc2c1c(nc(n2)SCc1ccc(cc1)F)N1CC[NH+](CC1)CC(=O)N1CCCCC1 CCc1c(C)sc2nc(SCc3ccc(F)cc3)nc(N4CC[NH+](CC4)CC(=O)N5CCCCC5)c12 InChIKey=JRFTXKSVKLVWGW-UHFFFAOYSA-O InChI=1S/C27H34FN5OS2/c1-3-22-19(2)36-26-24(22)25(29-27(30-26)35-18-20-7-9-21(28)10-8-20)33-15-13-31(14-16-33)17-23(34)32-11-5-4-6-12-32/h7-10H,3-6,11-18H2,1-2H3/p+1 InChI=1/C27H34FN5OS2/c1-3-22-19(2)36-26-24(22)25(29-27(30-26)35-18-20-7-9-21(28)10-8-20)33-15-13-31(14-16-33)17-23(34)32-11-5-4-6-12-32/h7-10H,3-6,11-18H2,1-2H3/p+1/fC27H35FN5OS2/h31H/q+1 CCc1c(sc2c1c(nc(n2)SCc3ccc(cc3)F)N4CC[NH+](CC4)CC(=O)N5CCCCC5)C C01[X(C27H35F1N5O1S2)] 207 C01 618 CCc1c(C)sc2c1c(nc(n2)SCc1ccc(cc1)F)N1CC[NH+](CC1)CC(=O)N1CCCCC1 CCc1c(C)sc2c1c(nc(n2)SCc1ccc(cc1)F)N1CC[NH](CC1)CC(=O)N1CCCCC1 CCc1c(C)sc2nc(SCc3ccc(F)cc3)nc(N4CC[NH](CC4)CC(=O)N5CCCCC5)c12 InChIKey=QILNDWKNTGZZDL-UHFFFAOYSA-N InChI=1S/C27H35FN5OS2/c1-3-22-19(2)36-26-24(22)25(29-27(30-26)35-18-20-7-9-21(28)10-8-20)33-15-13-31(14-16-33)17-23(34)32-11-5-4-6-12-32/h7-10,31H,3-6,11-18H2,1-2H3 InChI=1/C27H35FN5OS2/c1-3-22-19(2)36-26-24(22)25(29-27(30-26)35-18-20-7-9-21(28)10-8-20)33-15-13-31(14-16-33)17-23(34)32-11-5-4-6-12-32/h7-10,31H,3-6,11-18H2,1-2H3 4082.1449171767 -2284.226162 1-A 35197.3409 140 478 618 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 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0.8266 0.4719 0.8506 0.7971 0.4792 0.4199 0.8571 0.6562 0.5710 0.2971 0.3297 0.1793 0.7577 0.3161 0.1610 0.2026 0.7384 0.4779 0.4162 0.6028 0.3248 0.8569 0.7830 0.3492 0.5305 0.8528 0.5844 0.0406 0.0278 0.8557 0.3884 0.4017 0.4222 0.8005 0.8197 0.8571 0.8041 0.7346 0.5686 0.8475 0.4392 0.8465 0.2284 0.2729 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 61 62 63 64 65 66 67 68 69 70 71 6 6 6 6 16 6 6 6 7 6 7 16 6 6 6 6 6 6 6 9 7 6 6 7 1 6 6 6 6 8 7 6 6 6 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 1 1 1 1 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 14857.9383 51228.7922 63155.3333 0.99993 -0.01199 -0.00021 0.01199 0.99991 0.00646 0.00013 -0.00646 0.99998 1 0.00583 0.00169 0.00137 0.12147 0.03523 0.02858 13.43 24.52 29.74 33.80 37.24 44.60 60.90 80.91 96.36 99.41 105.41 108.91 132.41 134.74 143.33 157.82 185.46 191.80 226.64 259.28 287.18 306.46 319.31 335.51 352.77 377.76 405.15 427.14 444.82 460.12 479.94 509.52 513.67 539.42 554.34 579.28 588.26 615.02 620.39 626.04 649.89 663.15 671.32 677.11 702.72 722.46 727.24 761.73 772.36 796.09 822.40 844.45 874.95 905.71 925.69 956.79 979.75 997.60 1006.89 1068.36 1101.17 1104.87 1116.56 1158.62 1174.37 1180.99 1209.05 1251.41 1268.87 1273.21 1293.78 1300.31 1312.24 1327.94 1342.90 1343.40 1347.53 1369.47 1380.40 1389.28 1424.85 1444.50 1459.23 1477.74 1511.62 1520.68 1532.87 1546.48 1564.39 1575.14 1582.14 1604.03 1612.22 1620.37 1650.31 1665.63 1670.11 1676.44 1693.14 1694.91 1707.13 1719.98 1743.92 1757.14 1766.58 1804.54 1813.92 1822.86 1829.53 1837.30 1845.83 1865.72 1875.13 1885.65 1895.97 1918.26 1969.35 1977.06 1996.46 2004.98 2007.19 2024.66 2026.39 2041.19 2045.41 2058.49 2060.67 2087.97 2088.92 2111.96 2121.55 2144.86 2146.11 2170.62 2179.20 2199.50 2203.56 2208.33 2221.71 2231.06 2238.30 2243.54 2252.59 2258.78 2263.48 2270.92 2279.19 2338.52 2339.72 2340.20 2341.29 2341.83 2344.67 2348.07 2354.36 2360.00 2363.76 2364.49 2366.11 2371.63 2375.50 2383.93 2391.33 2397.98 2403.84 2443.95 2465.81 2539.15 2572.69 2579.25 2621.44 2723.11 4575.51 4608.72 4612.31 4614.50 4623.12 4628.51 4631.23 4635.32 4641.42 4684.90 4693.07 4697.74 4704.96 4704.98 4705.61 4707.49 4712.21 4716.92 4720.40 4725.55 4744.33 4762.15 4762.83 4769.03 4782.50 4798.96 4802.17 4811.59 4826.43 4839.63 4846.59 4846.91 4897.34 4897.68 5171.03 0.643509 0.675858 0.676803 0.573405 -2283.582653 -2283.550304 -2283.549359 -2283.652757 3.467986D-04 MUNgauss RevisionA2.0 retrievium 15-Jan-2020 DUDE CCc1c(sc2c1c(nc(n2)SCc3ccc(cc3)F)N4CC[NH+](CC4)CC(=O)N5CCCCC5)C C34761823 RHF 6-31G(d) (6D,10F) C1 528.226708 |X|Y|Z| 85.858345 163.653708 32.293897 76.843937 31 6 7 16 24 5 2 |36.858105| |12.426576|36.858105| |7.506047|12.597830|36.858105| |5.542916|7.548358|14.166865|36.858105| |3.922966|4.679854|7.309505|10.831092|388.023441| |4.214261|4.991030|8.009053|7.659374|78.387623|36.858105| |5.644019|7.226938|12.991684|8.202136|52.234338|13.636542|36.858105| |4.981023|5.738402|7.200557|5.147336|34.929021|8.173073|13.611317|36.858105| |3.791959|4.129065|5.023550|4.098611|31.032293|7.212595|8.046835|14.561427|53.358707| |3.314359|3.612303|4.605241|4.108874|35.149813|8.582938|7.073435|8.374438|19.465526|36.858105| 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|2.498802|2.633696|2.459474|2.115487|13.962309|2.282957|2.624528|3.080196|4.021337|2.484141|3.028730|16.303214|1.904661|1.754540|1.636183|1.515610|1.495227|1.580552|1.718031|3.116587|5.188009|4.665987|6.065612|10.212253|0.268421|4.906696|4.100465|8.143892|15.728672|73.516695| |2.290622|2.340287|2.119974|1.855235|12.059841|1.904440|2.171703|2.437115|3.132013|1.991685|2.495843|13.112048|1.582187|1.471102|1.393801|1.303172|1.281357|1.338139|1.436455|2.699324|4.007614|3.354245|4.397155|7.057981|0.145420|3.903005|3.129971|7.728245|14.365286|15.016213|53.358707| |1.977022|2.041627|1.887880|1.679796|11.082169|1.735949|1.941438|2.156916|2.821210|1.827099|2.298226|12.239604|1.492299|1.401764|1.326473|1.250008|1.239477|1.298119|1.383870|2.625779|3.429889|2.876136|3.527781|5.348316|0.115432|3.109007|2.646308|4.969410|7.875755|12.228412|17.615938|36.858105| |1.864691|1.937947|1.782003|1.603190|10.515533|1.618292|1.800417|1.956091|2.536148|1.664791|2.126638|11.097564|1.376017|1.292684|1.223221|1.155025|1.147485|1.202348|1.279348|2.437659|3.062045|2.566455|3.105528|4.420848|0.092205|2.641646|2.295551|3.972108|5.394767|8.565641|10.536371|12.482666|36.858105| |1.840278|1.880060|1.707589|1.541319|10.034216|1.530010|1.703849|1.833103|2.361059|1.555289|1.999811|10.336201|1.290225|1.212365|1.155255|1.091704|1.079288|1.123660|1.192989|2.297362|2.866268|2.341449|2.836889|4.064028|0.081973|2.510617|2.154583|3.743977|4.586232|6.896121|8.968427|7.549570|12.451989|36.858105| |2.099089|2.118459|1.884364|1.681780|10.793441|1.650607|1.864548|2.009773|2.551213|1.662760|2.137402|10.905422|1.353486|1.262075|1.204353|1.131376|1.111014|1.153833|1.231313|2.354924|3.204284|2.598789|3.264552|4.734342|0.091849|2.907935|2.414025|4.653460|5.319422|7.365888|10.537832|6.509979|7.566852|12.449800|36.858105| |2.256923|2.251532|2.008506|1.769086|11.403125|1.775401|2.021151|2.228451|2.842083|1.824720|2.311818|11.989735|1.464376|1.363836|1.303097|1.220867|1.194820|1.238866|1.324861|2.525301|3.630048|2.921670|3.762628|5.923541|0.114816|3.561859|2.829563|6.514345|7.663837|9.375247|17.700377|7.715933|6.521841|7.555947|12.467366|36.858105| |4.826806|6.036900|7.382177|12.669046|48.748814|4.838875|5.015389|3.701399|4.220253|3.112011|4.987687|17.355627|2.397785|2.017637|1.870699|1.648515|1.563127|1.640143|1.858599|3.172968|4.498203|3.090599|2.728875|3.200543|0.061063|2.445734|2.698202|2.087279|1.881124|3.362959|2.327070|1.557219|1.507848|1.464334|1.595769|1.652656|36.858105| |17.534832|8.779697|5.480530|4.359603|23.024242|3.430292|4.389398|4.108101|4.434229|2.848368|3.909216|16.341978|2.045935|1.778913|1.695868|1.516544|1.429329|1.473542|1.636841|2.934592|6.349784|4.037304|4.134257|5.012855|0.086940|4.111156|3.995278|3.333966|2.689970|4.512629|3.280299|2.055858|1.952178|1.953476|2.265015|2.422662|4.065321|0.500000| |17.572565|8.779523|6.786177|5.747208|28.853602|4.086340|5.064537|4.287016|4.658720|3.125633|4.487101|17.545080|2.252405|1.927699|1.842135|1.628541|1.519267|1.561086|1.746896|3.099089|5.844973|3.574881|3.355909|4.120260|0.074657|3.425164|3.637920|2.684667|2.257102|3.894274|2.762341|1.777896|1.688373|1.673160|1.889056|2.011701|5.336200|0.301669|0.500000| |17.568318|8.758663|6.805420|4.953609|27.244085|4.425412|6.049869|5.812186|5.957708|3.694024|4.976131|20.276033|2.464230|2.097033|1.996715|1.754875|1.633908|1.681803|1.891817|3.316325|8.728223|4.703563|4.361914|5.467145|0.096114|4.932332|5.373737|3.377971|2.718405|4.686032|3.228131|2.034411|1.887528|1.854324|2.114427|2.320905|4.102221|0.300777|0.302033|0.500000| |8.874375|17.607889|8.935149|7.148470|30.879796|4.232536|5.471126|4.419755|4.634200|3.088015|4.490998|17.110874|2.200674|1.877893|1.747476|1.552973|1.479235|1.550828|1.744450|3.019275|6.165832|4.318853|4.016967|4.417859|0.080246|3.323916|3.494147|2.859554|2.468941|4.309549|3.008113|1.947594|1.880901|1.836463|2.062430|2.146925|6.882350|0.213287|0.211890|0.173214|0.500000| |8.865736|17.606821|8.907180|5.753666|28.805316|4.576708|6.698720|6.075136|5.850046|3.603926|4.946190|19.493405|2.384790|2.024382|1.869783|1.655053|1.578813|1.663049|1.881240|3.208702|9.781072|6.914594|6.217707|6.204571|0.108601|4.615654|4.894045|3.744215|3.112721|5.460491|3.642210|2.301453|2.171470|2.087677|2.370922|2.538085|4.699660|0.214042|0.173372|0.209775|0.306464|0.500000| |2.392071|2.495509|3.030184|3.044845|28.120271|4.794054|3.748663|3.735327|6.160244|6.477298|9.397836|56.412011|17.646987|8.848786|7.108621|4.713540|3.992320|4.202938|5.653119|7.055517|4.037199|2.634727|2.197907|2.900797|0.060122|2.318319|2.841688|1.830274|1.715907|3.231081|2.086438|1.437692|1.330571|1.257055|1.325619|1.431717|2.534300|0.058796|0.066254|0.071489|0.062878|0.066956|0.500000| |2.279619|2.467137|3.005311|3.021105|27.993477|4.774191|3.727570|3.728485|6.157556|6.469714|9.407003|56.412751|17.647786|8.848980|5.652554|4.202744|3.992363|4.713925|7.109968|7.055578|4.042962|2.767420|2.272647|2.943916|0.061839|2.276913|2.775473|1.850798|1.766373|3.376192|2.142809|1.490762|1.382995|1.292456|1.351908|1.452894|2.512285|0.056486|0.062131|0.067009|0.062746|0.067460|0.302905|0.500000| |1.958974|1.974981|2.259725|2.233908|18.846554|3.047236|2.657927|2.762223|4.457073|3.964949|5.136158|37.955201|7.006658|8.908118|17.710113|8.958491|5.689938|4.952119|5.655382|9.627078|3.229287|2.130043|1.855776|2.537317|0.052990|2.039300|2.411376|1.639063|1.549504|2.903155|1.906527|1.323936|1.220575|1.158793|1.214933|1.317026|1.945712|0.049437|0.054316|0.058864|0.050296|0.053605|0.213090|0.143426|0.500000| |1.570700|1.582337|1.758332|1.740351|14.179530|2.210821|2.000491|2.085860|3.260922|2.718794|3.524483|24.686233|4.078456|5.609464|8.853733|17.744714|8.961375|5.644678|4.955088|16.719851|2.547289|1.733263|1.551861|2.142352|0.045092|1.688743|1.924569|1.415209|1.362102|2.552590|1.699031|1.196854|1.107134|1.051371|1.090284|1.176165|1.559796|0.040450|0.043432|0.046620|0.040923|0.043399|0.111435|0.096666|0.214050|0.500000| |1.493491|1.564669|1.746437|1.729575|14.140727|2.206044|1.992559|2.082699|3.259392|2.717086|3.525579|24.680463|4.078460|5.609459|4.955071|5.644675|8.961491|17.744698|8.853595|16.720151|2.550418|1.825155|1.616247|2.184458|0.046871|1.649830|1.874406|1.438183|1.424665|2.732285|1.774586|1.274005|1.183479|1.103094|1.126365|1.204912|1.547362|0.038635|0.040619|0.043607|0.040834|0.043729|0.096671|0.111445|0.107552|0.124632|0.500000| |1.814477|1.940820|2.234557|2.211182|18.755536|3.034735|2.639346|2.754866|4.453145|3.959645|5.139603|37.934060|7.006801|8.908244|5.655372|4.952131|5.689957|8.958413|17.710077|9.627104|3.235689|2.308738|1.969430|2.608388|0.055955|1.971583|2.314481|1.675191|1.643929|3.177393|2.015635|1.431183|1.325714|1.229471|1.265673|1.357928|1.921656|0.046218|0.049075|0.053101|0.050130|0.054234|0.143448|0.213169|0.124158|0.107552|0.214047|0.500000| |3.536610|4.122008|4.216208|3.371351|22.449661|4.107897|5.104822|6.973778|8.532227|4.611929|5.346185|26.420778|2.882043|2.472080|2.207046|1.955230|1.906234|2.062180|2.363015|3.837149|12.254262|17.467855|8.848358|9.359433|0.209261|5.798380|7.141805|4.615510|4.285957|8.898393|4.531617|2.938926|2.583192|2.306987|2.500158|2.821216|2.753167|0.091433|0.083843|0.106005|0.097990|0.139264|0.075378|0.081344|0.061282|0.050237|0.054561|0.069719|0.500000| |4.485013|6.003395|5.912212|4.401000|26.697881|4.705012|6.462995|7.368572|7.405227|4.291925|5.499846|23.128312|2.697009|2.278884|2.045247|1.807223|1.752073|1.885768|2.160194|3.536506|12.406830|17.625760|8.986431|7.626857|0.145584|4.965886|5.715027|4.146410|3.695192|7.044614|4.109264|2.646160|2.434309|2.229938|2.456019|2.674021|3.511678|0.113791|0.102868|0.126698|0.139645|0.227572|0.072575|0.077530|0.057363|0.046678|0.049878|0.063669|0.302484|0.500000| |3.461238|3.948524|3.514463|2.876644|17.985396|2.959612|3.632727|4.203625|4.950018|2.971468|3.717525|17.975244|2.113139|1.876794|1.725079|1.566198|1.532080|1.630967|1.812007|3.152580|7.670528|8.825447|17.651722|12.391251|0.229506|5.632563|4.986399|7.163713|6.709717|12.665504|6.685571|4.006441|3.555031|3.136029|3.546906|3.996494|2.521857|0.097178|0.080615|0.098545|0.099427|0.141068|0.056626|0.059550|0.048180|0.040954|0.043694|0.052846|0.215510|0.212382|0.500000| |4.897807|5.459953|4.323845|3.356058|19.836524|3.252012|4.230630|4.789435|5.216726|3.087252|3.927888|18.020857|2.130797|1.869387|1.738028|1.565476|1.508994|1.587974|1.768705|3.097265|9.578592|8.832731|17.629641|12.412068|0.182483|7.016699|5.817165|7.046640|5.171306|8.612416|5.569740|3.254709|2.961030|2.802493|3.316736|3.735895|2.925541|0.142433|0.106505|0.138996|0.131060|0.214451|0.058362|0.059470|0.049302|0.041185|0.042132|0.050957|0.173246|0.215605|0.298675|0.500000| |3.473256|3.263091|3.017669|2.497084|16.363668|2.791548|3.332867|4.192591|5.423774|3.141031|3.696025|20.044724|2.242792|2.026075|1.941803|1.760170|1.671241|1.719450|1.887975|3.438913|7.690358|4.976650|5.624201|12.377358|0.222261|17.620128|8.834227|7.092762|5.011604|8.466762|5.339041|3.140457|2.616773|2.502452|2.879439|3.618496|2.168349|0.096630|0.082791|0.113369|0.078222|0.101907|0.061255|0.059660|0.055713|0.046844|0.045129|0.052881|0.130296|0.109157|0.126968|0.143469|0.500000| |4.921091|4.409440|3.760695|2.982852|18.499271|3.119685|3.946168|4.792413|5.549870|3.205159|3.919434|19.230914|2.211458|1.956819|1.864727|1.675966|1.586517|1.637340|1.812381|3.255203|9.634831|5.839109|7.008011|12.391410|0.180266|17.624611|8.807811|6.983617|4.556892|7.420855|4.998215|2.908191|2.542016|2.478830|2.934622|3.529449|2.581272|0.141333|0.109601|0.165569|0.102204|0.142188|0.061378|0.059619|0.053840|0.044557|0.042935|0.051036|0.134016|0.130602|0.143328|0.210292|0.299521|0.500000| |4.458484|4.139924|4.150792|3.299756|22.068052|4.102201|5.101984|7.309936|9.424644|4.879216|5.439975|28.307105|2.994547|2.572471|2.445452|2.132200|1.976383|2.034401|2.302099|3.968538|12.457475|5.721173|4.955552|7.635324|0.144495|8.976379|17.629633|4.132059|3.325382|6.015767|3.733998|2.349693|2.063092|1.965742|2.197979|2.551326|2.696171|0.111690|0.106387|0.161260|0.093320|0.122978|0.083375|0.078055|0.071721|0.056179|0.052251|0.064016|0.144963|0.127467|0.109212|0.129931|0.213040|0.214454|0.500000| |3.526517|3.595674|3.670476|2.980852|20.467872|3.824572|4.591255|6.892691|10.118433|4.986607|5.286835|30.526283|3.075612|2.674693|2.474767|2.176778|2.064723|2.169075|2.463560|4.141504|12.218825|7.121806|5.810116|9.414023|0.208346|8.853146|17.526812|4.622748|3.943965|7.669018|4.231284|2.691394|2.301852|2.124638|2.332438|2.740535|2.452656|0.090782|0.084879|0.115583|0.083799|0.112011|0.081755|0.081389|0.070366|0.056559|0.056252|0.069774|0.212766|0.144413|0.131028|0.133984|0.215206|0.173104|0.303370|0.500000| |3.388942|3.381839|2.863464|2.396916|14.906010|2.382190|2.863681|3.237873|3.906865|2.398325|3.017488|15.000745|1.789613|1.621322|1.534686|1.409052|1.363869|1.420219|1.549023|2.838801|5.802141|4.746347|7.480217|12.353749|0.185916|6.398195|4.437303|17.654955|8.653259|10.871917|9.328676|4.535701|3.922017|3.859823|5.090006|6.643841|2.179548|0.102840|0.079302|0.098153|0.086272|0.112503|0.048878|0.049322|0.043445|0.037453|0.037936|0.044205|0.116443|0.114939|0.195767|0.225559|0.157392|0.187334|0.105220|0.110458|0.500000| |2.995951|2.893869|2.570271|2.176421|13.986562|2.272689|2.674574|3.122290|3.945172|2.410472|2.960521|15.539692|1.822811|1.670760|1.596846|1.472466|1.420670|1.468655|1.592028|2.963371|5.500533|4.185590|5.659433|12.355360|0.209434|7.546681|4.780654|17.617326|8.799722|11.303432|9.167600|4.538872|3.612810|3.529747|4.378751|6.390682|1.960684|0.088138|0.071810|0.090551|0.072730|0.092273|0.049633|0.049502|0.045285|0.039296|0.039131|0.045033|0.109210|0.097674|0.143219|0.150715|0.230251|0.195458|0.115400|0.123586|0.301464|0.500000| |1.841924|1.878029|1.748309|1.564774|10.403593|1.627558|1.805077|2.005371|2.652396|1.728716|2.170206|11.728867|1.433166|1.356683|1.291979|1.223903|1.213558|1.264830|1.339972|2.582023|3.154507|2.576171|3.074824|4.768599|0.103221|2.897284|2.476444|4.362588|6.243532|9.920706|12.467857|17.539099|8.819337|6.778972|5.723926|6.981311|1.453403|0.053122|0.046362|0.052936|0.049707|0.058085|0.038385|0.039571|0.035834|0.032671|0.034506|0.038309|0.073339|0.065676|0.093599|0.079479|0.083475|0.075298|0.062005|0.070381|0.109530|0.118061|0.500000| |1.974059|2.065290|1.935801|1.721698|11.455173|1.807780|2.014429|2.255645|2.977865|1.926440|2.408705|12.967940|1.572204|1.477478|1.389326|1.308617|1.303550|1.373276|1.466734|2.756509|3.569274|3.052365|3.669768|5.493061|0.124012|3.144661|2.743945|4.756802|7.716995|14.667773|12.480175|17.699637|8.783526|5.494121|4.894885|5.647012|1.584107|0.056327|0.049298|0.056589|0.054493|0.064869|0.041778|0.043752|0.038328|0.034657|0.037529|0.042344|0.089040|0.077747|0.118318|0.091039|0.087564|0.079942|0.066955|0.079077|0.117257|0.117986|0.302150|0.500000| |1.696030|1.765124|1.643044|1.491871|9.881513|1.514420|1.666026|1.802578|2.360990|1.565423|2.003226|10.545917|1.316169|1.244739|1.178561|1.118534|1.116256|1.170338|1.239081|2.380742|2.776163|2.310118|2.707243|3.831856|0.081005|2.344051|2.080821|3.303897|4.325779|7.298899|7.652081|8.911957|17.562244|8.803738|5.502159|4.892840|1.407019|0.048979|0.043011|0.047683|0.047722|0.054413|0.035269|0.036790|0.032556|0.029797|0.032134|0.035692|0.065350|0.061270|0.085202|0.071417|0.064885|0.062414|0.052354|0.058514|0.089642|0.085140|0.215429|0.210810|0.500000| |1.957354|2.066158|1.892252|1.699910|11.077757|1.700059|1.899482|2.051670|2.635274|1.728473|2.219069|11.405671|1.416818|1.323161|1.245224|1.171467|1.164680|1.225636|1.310286|2.466600|3.215898|2.754264|3.361119|4.578478|0.094771|2.688664|2.358798|4.015347|5.361223|8.744703|9.411440|8.889352|17.529193|8.827372|6.768674|5.694264|1.600394|0.056900|0.049037|0.054582|0.056017|0.064857|0.038035|0.039778|0.034485|0.031098|0.033514|0.037888|0.076662|0.073590|0.110453|0.089090|0.072357|0.072138|0.058441|0.065368|0.112924|0.097745|0.173745|0.215730|0.302945|0.500000| |1.720006|1.739978|1.592331|1.443191|9.466989|1.444068|1.597614|1.722229|2.238673|1.480724|1.899493|9.936496|1.241943|1.173943|1.123897|1.066435|1.054422|1.093837|1.155825|2.252130|2.673800|2.149297|2.557315|3.741055|0.076100|2.366554|2.037316|3.412096|4.106525|6.272822|7.821344|6.767966|8.846421|17.513774|8.855264|6.777762|1.371108|0.050553|0.043706|0.048431|0.047064|0.053184|0.033622|0.034429|0.031321|0.028609|0.029848|0.032974|0.059182|0.056556|0.076976|0.069922|0.066695|0.064693|0.052114|0.056122|0.095450|0.092714|0.198430|0.138833|0.215400|0.173535|0.500000| |1.753421|1.799147|1.634450|1.487399|9.669777|1.459316|1.617128|1.719139|2.209435|1.467372|1.902108|9.740943|1.227226|1.153838|1.099297|1.040202|1.029791|1.072584|1.137388|2.195458|2.657840|2.167659|2.584559|3.601273|0.072279|2.258155|1.970624|3.204391|3.761586|5.856992|6.704196|5.499839|8.815138|17.573556|8.833052|5.505857|1.425867|0.051759|0.044553|0.048632|0.049331|0.055153|0.033267|0.034263|0.030613|0.027839|0.029300|0.032596|0.059125|0.058222|0.079311|0.071727|0.061972|0.062479|0.050248|0.053813|0.093443|0.083668|0.138980|0.123138|0.209706|0.214725|0.303596|0.500000| |2.024182|2.013173|1.785933|1.604191|10.284694|1.560565|1.755294|1.876037|2.382332|1.562845|2.018991|10.270333|1.283188|1.199231|1.150327|1.082705|1.060728|1.096847|1.167184|2.253544|2.963114|2.351211|2.892089|4.192749|0.080620|2.680580|2.236974|4.009496|4.261222|6.091635|7.655662|4.885645|5.499766|8.792944|17.558055|8.901669|1.534657|0.061140|0.051008|0.056469|0.054734|0.061774|0.035071|0.035525|0.032325|0.029084|0.029718|0.033206|0.062449|0.062052|0.084975|0.083107|0.074296|0.076440|0.057462|0.059651|0.123112|0.109249|0.128459|0.107762|0.123174|0.138686|0.215496|0.209965|0.500000| |2.255854|2.306256|2.025160|1.801213|11.427172|1.740372|1.980684|2.118410|2.653793|1.726365|2.232446|11.186543|1.390963|1.288591|1.224272|1.145454|1.124468|1.171513|1.255965|2.376175|3.394018|2.797789|3.581023|4.956266|0.094398|2.992653|2.497332|4.783768|5.286261|7.420596|9.420650|5.691367|6.775029|8.830571|17.522686|8.882959|1.714326|0.068061|0.056026|0.062371|0.062859|0.072440|0.037881|0.038770|0.034314|0.030588|0.031745|0.035979|0.073726|0.074441|0.110173|0.103123|0.080089|0.084855|0.062722|0.066352|0.154311|0.118739|0.131978|0.127982|0.138828|0.197888|0.173651|0.215115|0.302498|0.500000| |2.517667|2.468162|2.163479|1.887536|12.032599|1.877557|2.162545|2.387043|3.005054|1.913817|2.425985|12.434321|1.513653|1.401108|1.341423|1.250789|1.216923|1.258495|1.350862|2.563990|3.953768|3.123426|4.115504|6.621292|0.121455|4.057765|3.099537|7.811366|7.260831|8.832721|12.326376|5.606139|4.883697|5.505488|8.834162|17.637886|1.760496|0.076212|0.061754|0.072180|0.064981|0.077562|0.041331|0.041596|0.037861|0.033505|0.033845|0.038356|0.081738|0.078812|0.116616|0.117546|0.113877|0.115523|0.077861|0.081338|0.243275|0.222933|0.142978|0.126824|0.107608|0.127420|0.139429|0.123515|0.213464|0.215822|0.500000| |2.068432|2.041910|1.845055|1.637865|10.672349|1.660285|1.869762|2.063180|2.668929|1.725919|2.181159|11.497626|1.407201|1.320826|1.269318|1.195372|1.170067|1.208018|1.284360|2.483030|3.310939|2.608357|3.229368|5.170884|0.102679|3.262274|2.627433|5.328446|6.126867|8.163580|12.488343|6.981987|5.737574|6.795250|8.828030|17.541311|1.532047|0.061276|0.051764|0.059492|0.054018|0.063012|0.038220|0.038612|0.035638|0.032099|0.032664|0.036419|0.070841|0.066216|0.093386|0.088347|0.095177|0.089090|0.066852|0.071500|0.143063|0.158478|0.208514|0.143596|0.128740|0.132119|0.199154|0.139295|0.215580|0.173806|0.303831|0.500000| |3.862855|4.819048|5.782495|8.889432|45.371151|4.391493|4.347997|3.319678|3.889758|2.914465|4.691830|16.581150|2.332631|1.975518|1.818982|1.611297|1.540836|1.627037|1.841529|3.134061|4.041608|2.869467|2.538289|2.972177|0.057357|2.230345|2.449718|1.951590|1.788722|3.218588|2.224639|1.504210|1.465476|1.417330|1.530471|1.573343|17.558372|0.093994|0.114256|0.094014|0.152508|0.112344|0.067863|0.068974|0.052060|0.042227|0.042879|0.053302|0.072417|0.091420|0.066461|0.074520|0.055337|0.064523|0.067273|0.062984|0.056420|0.050756|0.038966|0.042662|0.038177|0.043346|0.036839|0.038507|0.040812|0.045700|0.046159|0.040548|0.500000| 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