Version2.0 2020-02-03T19:44:58Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 12-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(cc(c1)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(o4)c5ccccc5F)C C39694885 RHF 6-31G(d) (6D,7F) Cc1cc(cc(c1)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(o4)c5ccccc5F)C C01[X(C29H33F1N3O3)] 201 C1 606 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(o1)c1ccccc1F)NCc1cc(C)cc(c1)C O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(o1)c1ccccc1F)NCc1cc(C)cc(c1)C Cc1cc(C)cc(CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4oc(cc4)c5ccccc5F)c1 InChIKey=ICTDLFUTAKNWGI-HSZRJFAPSA-O InChI=1S/C29H32FN3O3/c1-19-13-20(2)15-21(14-19)16-32-27(34)23-17-33(18-29(23)9-11-31-12-10-29)28(35)26-8-7-25(36-26)22-5-3-4-6-24(22)30/h3-8,13-15,23,31H,9-12,16-18H2,1-2H3,(H,32,34)/p+1/t23-/m1/s1 InChI=1/C29H32FN3O3/c1-19-13-20(2)15-21(14-19)16-32-27(34)23-17-33(18-29(23)9-11-31-12-10-29)28(35)26-8-7-25(36-26)22-5-3-4-6-24(22)30/h3-8,13-15,23,31H,9-12,16-18H2,1-2H3,(H,32,34)/p+1/t23-/m1/s1/fC29H33FN3O3/h31-32H/q+1 Cc1cc(cc(c1)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(o4)c5ccccc5F)C C01[X(C29H33F1N3O3)] 201 C01 606 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(o1)c1ccccc1F)NCc1cc(C)cc(c1)C O=C([C@H]1CN(CC21CC[NH2]CC2)C(=O)c1ccc(o1)c1ccccc1F)NCc1cc(C)cc(c1)C Cc1cc(C)cc(CNC(=O)[C@H]2CN(CC23CC[NH2]CC3)C(=O)c4oc(cc4)c5ccccc5F)c1 InChIKey=VHBGPUBOOGPPQD-HSZRJFAPSA-N InChI=1S/C29H33FN3O3/c1-19-13-20(2)15-21(14-19)16-32-27(34)23-17-33(18-29(23)9-11-31-12-10-29)28(35)26-8-7-25(36-26)22-5-3-4-6-24(22)30/h3-8,13-15,23H,9-12,16-18,31H2,1-2H3,(H,32,34)/t23-/m1/s1 InChI=1/C29H33FN3O3/c1-19-13-20(2)15-21(14-19)16-32-27(34)23-17-33(18-29(23)9-11-31-12-10-29)28(35)26-8-7-25(36-26)22-5-3-4-6-24(22)30/h3-8,13-15,23H,9-12,16-18,31H2,1-2H3,(H,32,34)/t23-/m1/s1/f/h32H 3761.6068593133 -1604.5997641 1-A 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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 6 6 6 6 6 6 6 6 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 6 6 6 8 6 6 6 6 6 6 9 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 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 17790.0272 28426.7759 43028.7625 0.99980 -0.01923 0.00626 0.01921 0.99981 0.00456 -0.00635 -0.00444 0.99997 1 0.00487 0.00305 0.00201 0.10145 0.06349 0.04194 5.92 12.91 21.59 29.29 34.22 44.83 49.68 53.56 70.86 88.40 97.89 109.16 152.89 170.74 179.80 199.12 228.46 255.70 265.16 274.79 300.33 329.16 337.92 355.62 368.24 403.36 410.51 417.56 431.22 444.19 449.10 512.00 521.91 543.91 560.74 577.97 618.77 669.47 670.67 706.53 708.23 726.89 743.38 744.72 798.78 815.99 823.70 833.81 840.51 853.29 871.06 882.46 942.48 974.95 982.23 1006.12 1046.65 1083.08 1111.92 1139.71 1168.24 1189.70 1201.52 1216.30 1227.90 1242.93 1259.43 1272.63 1291.52 1344.02 1352.08 1367.42 1394.80 1399.46 1414.92 1434.05 1441.92 1450.84 1461.50 1466.99 1475.38 1491.53 1494.78 1511.17 1537.02 1549.49 1559.36 1562.25 1571.14 1585.42 1595.16 1604.80 1613.14 1615.12 1626.69 1630.68 1636.48 1639.39 1672.88 1683.31 1686.29 1690.10 1690.49 1747.09 1751.92 1774.76 1777.19 1844.74 1849.84 1855.31 1858.60 1867.04 1898.86 1909.22 1914.13 1925.92 1950.54 1958.57 1963.50 1978.74 1994.75 2001.79 2006.91 2039.50 2049.30 2063.38 2082.40 2085.10 2093.81 2101.69 2157.60 2165.17 2183.27 2190.02 2213.40 2219.07 2234.83 2249.87 2252.14 2254.62 2260.15 2261.66 2277.05 2297.49 2321.55 2323.06 2346.31 2347.23 2348.27 2362.35 2368.02 2369.57 2380.21 2380.48 2394.65 2397.48 2398.88 2404.67 2445.65 2453.91 2563.75 2591.33 2601.89 2604.06 2621.59 2629.14 2707.00 2762.58 4598.46 4609.92 4614.78 4615.39 4662.17 4678.08 4692.72 4695.42 4706.90 4715.47 4720.99 4721.76 4731.23 4732.51 4742.28 4764.67 4784.47 4804.93 4808.47 4813.81 4815.82 4824.11 4826.41 4849.68 4859.60 4881.70 4902.40 4908.25 4983.70 5026.39 5279.95 5371.58 5593.03 0.625835 0.657008 0.657952 0.555067 -1603.973929 -1603.942757 -1603.941812 -1604.044698 3.450813D-04 MUNgauss RevisionA2.0 retrievium 03-Feb-2020 DUDE Cc1cc(cc(c1)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(o4)c5ccccc5F)C C39694885 RHF 6-31G(d) (6D,10F) C1 490.250595 |X|Y|Z| 94.817195 120.188690 32.636780 71.914976 31 6 7 8 27 3 1 |36.858105| |12.607101|36.858105| |7.549001|13.774553|36.858105| |4.991787|7.847395|13.654607|36.858105| |4.435869|6.843597|7.980369|13.775261|36.858105| |5.015735|7.881788|6.889400|7.884112|13.667210|36.858105| |7.556825|13.653970|7.982230|6.846137|7.950996|13.786097|36.858105| |3.786332|5.009598|4.455199|5.017861|7.566028|12.607923|7.582000|36.858105| |3.327801|4.196514|3.842719|4.305992|5.969769|7.815445|5.713680|13.018269|53.358707| |2.730906|3.257847|3.027707|3.341817|4.312685|5.135696|4.150508|7.769602|19.369044|36.858105| |2.502790|2.934685|2.732397|3.002238|3.817010|4.486253|3.692293|6.848984|11.590425|15.787016|73.516695| |2.442430|2.822317|2.661406|2.889044|3.506473|3.933693|3.397607|4.993358|10.666092|12.486771|14.206094|36.858105| |2.567610|2.989099|2.851131|3.103603|3.721067|4.075595|3.537357|4.816813|10.404962|8.885261|10.470475|17.569566|0.500000| |2.332767|2.593244|2.385214|2.491981|2.918104|3.347882|3.088171|4.109639|7.631790|7.555003|11.024994|12.154208|0.241796|36.858105| |1.982629|2.176180|2.037382|2.138122|2.463060|2.734984|2.524991|3.291350|5.660299|5.513386|9.263027|7.914927|0.167597|13.034828|53.358707| |1.903462|2.120846|2.020203|2.166193|2.526674|2.747732|2.460276|3.366971|5.744908|5.896488|10.648478|7.975193|0.161142|8.094677|17.937468|36.858105| |2.058289|2.346246|2.270125|2.489187|2.950854|3.143983|2.727647|3.844676|7.049308|7.370180|11.487095|12.213073|0.242420|7.703829|11.050024|12.375276|36.858105| |1.990131|2.298683|2.273563|2.561000|3.071973|3.155255|2.655232|3.864405|6.633025|6.493320|11.310680|7.264516|0.168753|4.968203|6.938751|7.429267|12.388636|36.858105| |1.719638|1.949361|1.945083|2.169083|2.513761|2.535394|2.194205|2.969743|4.772498|4.299738|7.791628|4.808083|0.119409|3.843781|5.807968|6.090256|7.504697|12.493625|36.858105| |1.640941|1.843617|1.851316|2.049055|2.320488|2.314755|2.039011|2.615303|4.230470|3.641607|6.242085|4.337250|0.115443|3.581776|5.427338|5.161553|6.457146|7.642751|12.631832|53.358707| |1.510644|1.682396|1.692598|1.862188|2.082474|2.070921|1.843873|2.313688|3.645981|3.082215|5.388531|3.557561|0.094892|3.078969|4.718227|4.347579|4.927300|5.658628|9.167103|25.689391|0.500000| |1.682554|1.903036|1.934731|2.163960|2.440923|2.387541|2.088954|2.650911|4.284247|3.565034|5.968043|4.171994|0.116201|3.353199|4.831072|4.363062|5.732359|6.972807|9.209279|25.685459|0.328513|0.500000| |1.672984|1.861702|1.845089|2.007752|2.260575|2.300381|2.062353|2.593876|4.302861|3.740783|6.208867|4.884021|0.131444|4.234852|6.726578|6.085707|7.438910|6.457224|7.548639|17.175861|0.254444|0.255584|36.858105| |1.919646|2.160334|2.120029|2.309370|2.645866|2.738550|2.433724|3.136896|5.536365|4.958106|7.647514|7.575670|0.209541|5.921064|8.709836|7.477639|12.325075|7.645888|6.530361|10.486918|0.157926|0.194854|12.525995|36.858105| |1.798509|1.940028|1.827261|1.898852|2.135852|2.331876|2.197043|2.694119|4.462765|4.001373|6.742361|5.371252|0.130428|7.594278|18.957236|7.867697|5.753986|4.025991|3.681436|5.018219|0.092107|0.091014|4.805335|5.649906|36.858105| |1.636501|1.764185|1.683824|1.760446|1.964851|2.103665|1.972270|2.399761|3.901173|3.441186|5.905301|4.465701|0.111677|5.386826|11.503590|7.019118|5.290971|3.925291|3.861646|5.489185|0.103300|0.096800|5.491215|5.667533|15.764411|73.516695| |1.809285|1.915085|1.784352|1.820137|2.016677|2.219220|2.148942|2.505018|4.059815|3.450042|5.752734|4.362388|0.112298|6.312420|10.648663|5.062829|4.203671|3.162397|2.889219|3.971437|0.074276|0.074522|3.636337|4.221243|12.977847|14.607940|36.858105| |1.661219|1.736663|1.628752|1.651158|1.799626|1.953981|1.912328|2.152364|3.409582|2.801015|4.691793|3.418948|0.091571|4.439768|6.978329|3.845656|3.362485|2.661483|2.507631|3.534932|0.067504|0.067010|3.210788|3.543066|7.498095|11.588625|14.158151|36.858105| |1.696027|1.744771|1.619759|1.618451|1.748372|1.913439|1.910283|2.080897|3.236646|2.589184|4.338532|3.037249|0.082346|3.919076|5.633379|3.189485|2.863112|2.330524|2.171085|3.017420|0.057771|0.058116|2.641776|2.937705|5.200397|7.939232|8.589951|13.368877|36.858105| |1.880096|1.932105|1.766501|1.754937|1.910891|2.131793|2.145203|2.342724|3.650790|2.923058|4.885022|3.382326|0.090372|4.613408|6.257528|3.414534|3.045834|2.457978|2.231124|3.029416|0.057370|0.058491|2.613244|2.994465|5.328410|7.549175|8.745778|8.576891|14.068561|36.858105| |1.972903|2.068703|1.891762|1.903683|2.111193|2.374719|2.343015|2.685530|4.307518|3.591373|5.973999|4.319114|0.111007|6.622644|9.179276|4.471452|3.826730|2.953176|2.624958|3.514454|0.065583|0.067074|3.076028|3.639818|7.756599|9.595489|14.074809|8.620749|8.623782|14.179338|73.516695| |1.984961|2.000439|1.801229|1.760524|1.902823|2.147851|2.214318|2.331587|3.534119|2.747829|4.622199|3.020913|0.081250|3.954322|5.058247|2.910317|2.656677|2.212018|1.994548|2.673577|0.050769|0.052177|2.239778|2.558256|3.944152|5.801088|5.375308|5.178489|7.339669|12.989528|14.192111|36.858105| |2.167608|2.180221|1.929653|1.876058|2.045370|2.358261|2.455682|2.593387|3.864687|2.992579|5.099116|3.154915|0.083249|4.140629|5.093241|2.972776|2.705470|2.277195|2.021810|2.652603|0.050164|0.051822|2.180813|2.510139|3.702266|5.408310|4.615209|4.111925|5.017291|7.643460|12.129569|13.651408|36.858105| |2.225471|2.182644|1.912024|1.829779|1.969972|2.275358|2.427575|2.449118|3.523525|2.648723|4.552795|2.694625|0.071999|3.321097|4.078381|2.500847|2.325567|2.017041|1.800345|2.356417|0.044818|0.046410|1.901860|2.161824|2.927831|4.436197|3.459270|3.197590|3.812616|5.061171|8.122010|7.875391|13.790564|36.858105| |2.077616|2.004207|1.772436|1.685142|1.784599|2.025214|2.172983|2.129586|3.048810|2.264900|3.874214|2.325314|0.063272|2.780714|3.477251|2.168632|2.043862|1.791482|1.620670|2.147905|0.041124|0.042512|1.732199|1.944110|2.559837|3.973849|3.035154|2.944843|3.600382|4.468662|6.767188|6.812180|7.947444|13.735371|36.858105| |1.916182|1.862018|1.671140|1.599249|1.686541|1.886280|2.000165|1.975836|2.875114|2.149867|3.647117|2.265677|0.062264|2.715951|3.457308|2.139296|2.018428|1.756109|1.603642|2.154895|0.041378|0.042630|1.757537|1.961899|2.628239|4.110739|3.213138|3.259611|4.210465|5.052244|7.046836|7.851689|6.877416|7.937317|13.768830|36.858105| |1.881959|1.863659|1.685281|1.632159|1.735913|1.936448|2.019854|2.053784|3.058297|2.327159|3.919588|2.524441|0.069235|3.120491|4.021944|2.417293|2.255663|1.922694|1.756330|2.376524|0.045508|0.046749|1.972150|2.213514|3.150585|4.852651|4.080940|4.246763|6.043127|7.638200|9.247729|13.728417|8.022571|6.943220|8.014776|13.841969|36.858105| |1.724282|1.712666|1.570464|1.528508|1.615140|1.773992|1.835126|1.867588|2.794018|2.128577|3.575406|2.344767|0.065027|2.838886|3.750350|2.279753|2.141660|1.830425|1.695363|2.329278|0.044870|0.045869|1.947127|2.155763|3.033334|4.799594|3.948714|4.455944|6.654112|6.780142|8.200027|8.128983|5.301348|4.677167|5.321316|8.211257|14.329580|97.533100| |3.780319|5.008271|7.563193|12.607214|7.545081|5.000621|4.436966|3.779011|4.669952|2.826390|4.591453|2.527575|0.075474|2.180846|2.613292|1.968330|2.264807|2.375884|2.065944|2.689407|0.050328|0.058657|1.909157|2.148290|1.728997|2.893397|1.650315|1.513447|1.475639|1.577573|3.023739|1.569997|1.651075|1.607449|1.496341|1.434500|1.466971|3.126552|36.858105| |17.543403|8.853085|6.005101|4.336544|3.985634|4.556212|6.572706|3.595048|4.192214|2.579814|4.300782|2.284351|0.065511|2.203025|2.577004|1.824439|1.945966|1.893177|1.645849|2.122544|0.040056|0.044182|1.582980|1.800298|1.717563|2.783503|1.727551|1.586847|1.623795|1.803029|3.357564|1.916208|2.113060|2.196782|2.047859|1.868509|1.819317|3.733984|3.391422|0.500000| |17.554627|8.835472|5.777550|4.236639|3.968550|4.638576|6.866266|3.694163|4.591866|2.792122|4.504778|2.538601|0.074414|2.476653|2.835327|1.966278|2.112774|2.004385|1.729120|2.257014|0.042344|0.047025|1.711815|1.977933|1.897138|3.044348|1.933770|1.776465|1.832198|2.048293|3.794780|2.189328|2.400488|2.484283|2.323240|2.131842|2.081793|4.259724|3.295677|0.302270|0.500000| |17.588548|8.835491|7.221726|4.727186|3.967627|4.169539|5.576277|3.222211|3.959298|2.431182|3.969956|2.217711|0.065215|2.113162|2.477514|1.753927|1.900703|1.846844|1.614482|2.115936|0.039930|0.044476|1.581967|1.799127|1.669269|2.723081|1.680866|1.558799|1.590763|1.743687|3.227377|1.832143|1.971531|2.021957|1.916621|1.788770|1.756003|3.660103|3.805353|0.301978|0.301732|0.500000| |7.011300|8.953653|17.691011|8.920433|5.669387|4.958450|5.663477|3.558944|4.322690|2.597297|4.211787|2.341067|0.069672|2.127298|2.509544|1.824729|2.034176|2.036603|1.773105|2.320178|0.043616|0.049548|1.700005|1.929168|1.675872|2.764338|1.646461|1.519054|1.516455|1.641395|3.091166|1.677304|1.782583|1.777727|1.669099|1.581686|1.587098|3.349316|7.057878|0.157270|0.148489|0.221808|0.500000| |3.546519|4.934418|5.657851|8.934403|17.686762|8.905030|5.654408|7.039717|8.077636|4.492793|7.162149|3.633555|0.106175|2.925551|3.419889|2.647319|3.154152|3.425406|2.782446|3.453392|0.062948|0.074886|2.415277|2.807765|2.167923|3.580659|2.011727|1.791468|1.719424|1.864251|3.688670|1.832236|1.955350|1.864853|1.688891|1.606413|1.665722|3.507978|6.986724|0.090722|0.090320|0.090290|0.124403|0.500000| |7.030906|8.901480|5.664947|4.935437|5.647745|8.937350|17.683517|7.036860|7.479946|4.175254|6.707020|3.422830|0.096844|3.249464|3.580724|2.513920|2.716230|2.588426|2.144852|2.705789|0.050054|0.055912|2.033825|2.402486|2.284191|3.603670|2.263294|2.003751|2.024068|2.309801|4.479274|2.427592|2.756020|2.759137|2.431898|2.197562|2.201096|4.429813|3.547033|0.183347|0.199614|0.141066|0.124407|0.124254|0.500000| |3.797892|4.734835|3.989893|4.190831|5.624537|8.866739|7.214743|17.594884|12.411865|6.875665|11.871191|4.590313|0.118932|4.112416|4.488299|3.292864|3.558871|3.478252|2.741332|3.286566|0.059963|0.066944|2.425129|2.898677|2.699438|4.229381|2.548403|2.181135|2.134720|2.440936|4.969293|2.473660|2.825649|2.697200|2.305122|2.100593|2.164988|4.366005|3.234859|0.103422|0.104869|0.088150|0.090730|0.142694|0.219400|0.500000| |3.272847|4.219827|3.987832|4.693559|7.036611|8.858091|5.717194|17.616605|12.498592|7.057793|12.597775|4.585893|0.119886|3.710047|4.248001|3.330105|3.802586|4.084956|3.145211|3.670277|0.066465|0.075995|2.596130|3.064774|2.561600|4.129887|2.341597|2.022360|1.936642|2.151957|4.380126|2.122179|2.339008|2.209129|1.935588|1.805756|1.878467|3.875417|3.735644|0.088016|0.087137|0.079466|0.090707|0.209314|0.145855|0.303729|0.500000| |3.542235|4.494864|4.131213|4.567621|6.074063|7.588781|5.928962|9.011896|26.077363|9.393670|10.865095|7.449906|0.240733|5.468862|5.426273|3.901342|4.871372|4.413057|3.277251|4.125882|0.072587|0.086534|3.149674|4.123658|3.243484|5.038756|3.011382|2.556997|2.440619|2.741543|5.678152|2.652449|2.854238|2.601735|2.278158|2.168979|2.313528|4.782955|3.607049|0.088343|0.101296|0.086518|0.094668|0.160493|0.154213|0.191927|0.184625|0.500000| |2.372501|2.599184|2.383196|2.451204|2.806389|3.196408|3.036955|3.718489|6.742097|5.826914|8.437394|8.654186|0.227255|17.675823|12.317683|5.915602|5.989317|4.126053|3.340144|4.444168|0.078933|0.086514|3.942094|5.457683|7.227554|9.145034|7.055023|5.008644|4.503801|5.383631|13.694233|4.494047|4.502264|3.538851|2.999332|2.989502|3.514188|7.224770|2.148498|0.061599|0.071023|0.060015|0.059487|0.076927|0.088912|0.102941|0.091730|0.144672|0.500000| |2.458750|2.717219|2.444871|2.522420|2.970636|3.527961|3.306466|4.460632|7.889859|7.648233|12.053955|8.671083|0.182547|17.627535|12.351319|6.524683|5.878717|4.334201|3.405166|4.208593|0.075353|0.080905|3.487001|4.514202|5.994283|7.915117|5.485946|3.994198|3.724434|4.590568|11.493039|4.185811|4.717444|3.770570|3.036902|2.874375|3.244296|6.429895|2.174648|0.065215|0.072837|0.061041|0.060237|0.081491|0.099721|0.131273|0.109871|0.149680|0.302947|0.500000| |1.720416|1.898264|1.823845|1.951199|2.238155|2.391395|2.163182|2.847462|4.671865|4.461636|8.163398|5.644063|0.127129|5.798368|12.500857|17.708342|8.544737|6.346908|6.301444|7.591874|0.135774|0.124171|6.762660|6.860469|7.645403|14.790758|4.830500|3.836069|3.103206|3.201365|7.206588|2.700913|2.703056|2.291857|2.018779|2.013345|2.278654|4.914834|1.800730|0.045951|0.049238|0.044413|0.046228|0.065298|0.061152|0.077447|0.079135|0.089707|0.131578|0.136109|0.500000| |1.933354|2.160079|2.045366|2.195688|2.588765|2.851389|2.536004|3.603104|5.944731|6.299453|13.108461|7.015073|0.140802|7.017028|12.513016|17.597300|8.854643|7.028907|5.650544|6.037448|0.106840|0.106733|4.728378|5.487849|5.950904|9.429010|4.318878|3.359833|2.901419|3.169423|7.245638|2.796793|2.947132|2.515127|2.157760|2.092487|2.327047|4.870896|1.982086|0.051958|0.055177|0.049177|0.051085|0.075487|0.072474|0.099813|0.100961|0.107351|0.141504|0.182730|0.301096|0.500000| |2.030246|2.353206|2.309278|2.603509|3.174217|3.315325|2.758368|4.235878|6.959047|7.068011|14.413959|6.561498|0.146358|4.747288|6.527864|6.886733|8.778433|17.638642|8.991682|7.603756|0.126944|0.143062|4.849432|5.526836|3.718255|6.323108|2.984097|2.504728|2.230059|2.384935|5.087488|2.181765|2.288671|2.043272|1.800306|1.744021|1.892445|4.012500|2.389714|0.054182|0.056493|0.051956|0.057118|0.098713|0.075135|0.107045|0.129586|0.121451|0.107204|0.122553|0.160276|0.214329|0.500000| |2.094238|2.458464|2.477563|2.857443|3.460454|3.432158|2.822094|4.096494|7.082932|6.289765|10.137813|6.686947|0.174940|4.428245|5.779945|5.445758|8.774475|17.498968|8.884653|9.350944|0.143542|0.203629|5.679563|6.877554|3.480516|5.999555|2.855520|2.450537|2.179932|2.296049|4.810654|2.092676|2.152089|1.929110|1.727096|1.693133|1.840451|3.952536|2.676123|0.054865|0.058141|0.054206|0.061396|0.110382|0.074696|0.098345|0.121104|0.134146|0.106927|0.108467|0.132295|0.143593|0.303866|0.500000| |1.632995|1.829848|1.807386|1.987397|2.287079|2.343934|2.060700|2.758001|4.358762|3.971887|7.481112|4.423940|0.106936|3.804247|6.108854|6.701591|6.737032|8.750519|17.634715|12.429427|0.225415|0.181342|6.877628|5.730817|3.919919|7.508282|3.013822|2.606588|2.236075|2.290144|4.812963|2.033901|2.060579|1.825959|1.639230|1.622699|1.782943|3.871061|1.883137|0.043698|0.045793|0.042523|0.045923|0.069217|0.056681|0.072479|0.080688|0.082658|0.090935|0.094817|0.215033|0.176546|0.213616|0.173022|0.500000| |1.665981|1.893037|1.910276|2.149736|2.480337|2.454255|2.113371|2.836251|4.395751|3.799834|6.999693|3.984255|0.101699|3.231352|4.724797|4.620602|5.463437|8.764396|17.624909|12.369252|0.222536|0.225648|5.562639|4.911077|3.049970|5.648048|2.485508|2.195357|1.934152|1.987390|4.083962|1.803752|1.836760|1.657985|1.501093|1.480478|1.605448|3.488676|2.078675|0.044445|0.046133|0.043630|0.048541|0.077355|0.056901|0.072334|0.085258|0.083622|0.079372|0.081866|0.131249|0.125880|0.212474|0.215272|0.301485|0.500000| |1.591490|1.754349|1.723731|1.857219|2.085615|2.148699|1.946720|2.440084|3.979812|3.503647|6.009766|4.477709|0.115474|4.189748|7.233022|6.667578|6.663017|5.647361|6.821176|12.336966|0.223997|0.180665|17.657890|8.772458|5.436767|12.182374|3.930720|3.462870|2.782565|2.724856|5.739655|2.304804|2.234698|1.935127|1.758486|1.788048|2.017950|4.489162|1.758479|0.042115|0.045357|0.041724|0.044211|0.061388|0.053915|0.064555|0.067887|0.079855|0.107002|0.097080|0.239429|0.141061|0.126545|0.131186|0.203248|0.141246|0.500000| |1.599850|1.768010|1.763494|1.909965|2.114651|2.129549|1.930479|2.343790|3.829608|3.200255|5.270144|4.067279|0.114855|3.633240|5.567664|4.617847|5.435001|4.880838|5.564926|12.365504|0.221654|0.226314|17.626219|8.773843|4.187877|8.568606|3.358548|3.090114|2.555366|2.478391|5.048469|2.127704|2.044827|1.795281|1.655834|1.695314|1.901636|4.280973|1.836185|0.041930|0.045508|0.042345|0.045519|0.062409|0.052703|0.060894|0.064778|0.079386|0.098051|0.084437|0.139921|0.104311|0.107392|0.128492|0.141914|0.126517|0.301525|0.500000| |2.010828|2.287340|2.277653|2.511314|2.868673|2.901719|2.554002|3.239177|5.765429|4.840846|7.199427|6.965727|0.225558|5.103713|6.744956|5.477899|8.803558|6.926143|5.754255|9.442252|0.144345|0.205744|8.901780|17.502373|4.431647|7.746852|3.603710|3.121857|2.677153|2.736538|5.744443|2.392605|2.354892|2.060640|1.868928|1.883789|2.102687|4.616716|2.354563|0.051881|0.057307|0.052620|0.057539|0.085214|0.068818|0.081123|0.087560|0.123718|0.136818|0.112390|0.138476|0.123363|0.141016|0.204927|0.132923|0.129509|0.173337|0.215805|0.500000| |1.908343|2.116573|2.054165|2.195729|2.480831|2.604287|2.372572|2.943376|5.152951|4.503403|6.920331|6.967638|0.199143|6.486419|9.761071|6.907993|8.706617|5.517517|4.880546|7.647228|0.127389|0.143887|9.045344|17.621426|7.040401|12.245905|5.212645|4.325471|3.460983|3.475300|7.602242|2.872251|2.750446|2.326435|2.096483|2.143749|2.464063|5.445004|2.030174|0.049630|0.055251|0.049706|0.052182|0.071567|0.065875|0.077030|0.078195|0.108992|0.180419|0.131931|0.178508|0.139739|0.122837|0.140312|0.127789|0.107814|0.214859|0.213709|0.304278|0.500000| |1.544581|1.617356|1.532641|1.561616|1.693990|1.815253|1.766450|1.986717|3.130032|2.563540|4.316886|3.120281|0.084330|3.823480|6.128883|3.607509|3.193473|2.574032|2.491973|3.593550|0.069568|0.067857|3.302331|3.488312|6.546814|11.899600|8.844566|17.813907|8.482562|5.841325|10.453817|4.053164|3.345029|2.717202|2.549232|2.815021|3.531132|8.568707|1.446453|0.040989|0.045574|0.040522|0.039889|0.047150|0.050921|0.055425|0.052383|0.065195|0.116492|0.094735|0.103838|0.086870|0.066632|0.065935|0.072223|0.060699|0.100364|0.090296|0.085286|0.118047|0.500000| |1.599146|1.629834|1.518322|1.509695|1.614409|1.754090|1.763180|1.882106|2.884865|2.271773|3.822968|2.613063|0.071687|3.228682|4.581870|2.715762|2.482600|2.071096|1.951030|2.727177|0.052705|0.052887|2.355611|2.569750|4.081140|6.570487|5.857586|8.512698|17.859329|8.790452|10.457704|6.320206|4.374681|3.535705|3.516235|4.302062|6.146022|17.938947|1.384974|0.042601|0.047978|0.041943|0.039772|0.044022|0.051748|0.053561|0.048828|0.060597|0.101494|0.086125|0.074170|0.069420|0.055158|0.054318|0.055664|0.048805|0.068565|0.064202|0.066087|0.082712|0.194087|0.500000| |2.227128|2.282338|2.017055|1.981733|2.196539|2.562101|2.626261|2.902373|4.371978|3.477535|5.988708|3.639193|0.093103|5.005291|6.057565|3.454352|3.071182|2.552226|2.234204|2.886533|0.054226|0.056025|2.370947|2.761250|4.204820|5.963623|5.062537|4.189051|4.733155|7.079548|13.820222|8.933009|17.756246|8.945051|5.654869|4.957390|5.688561|9.594324|1.733766|0.060391|0.067907|0.055805|0.051253|0.058616|0.082224|0.088927|0.072588|0.087993|0.145124|0.169262|0.085422|0.096600|0.071948|0.066197|0.063538|0.055996|0.067737|0.060813|0.071085|0.083491|0.094449|0.110735|0.500000| |2.343938|2.288595|1.982776|1.889182|2.040754|2.384935|2.567932|2.577351|3.619039|2.698377|4.703322|2.658520|0.070458|3.207317|3.907441|2.449589|2.284731|2.010761|1.785846|2.310543|0.043931|0.045575|1.840413|2.089309|2.731197|4.166486|3.101292|2.821895|3.223626|4.122063|7.059092|5.622766|8.942101|17.733979|8.904934|5.645711|4.989700|8.327400|1.648047|0.065175|0.072520|0.058555|0.051012|0.053412|0.082475|0.080490|0.064491|0.073248|0.092234|0.103570|0.062014|0.069702|0.057280|0.053499|0.050272|0.045949|0.051888|0.048015|0.055506|0.061521|0.067722|0.082938|0.215978|0.500000| |2.063522|1.960112|1.730560|1.632538|1.714431|1.939346|2.101378|2.015372|2.834861|2.082584|3.582557|2.105921|0.057488|2.454439|3.076002|1.959202|1.861762|1.656600|1.504089|1.989909|0.038224|0.039533|1.588505|1.770262|2.247083|3.538294|2.595524|2.525880|3.000326|3.569186|5.594347|4.921466|5.649179|8.900090|17.731774|8.942109|5.684523|9.639391|1.452340|0.057045|0.064073|0.053062|0.045542|0.044911|0.065381|0.060709|0.051071|0.058727|0.072602|0.074316|0.050841|0.054503|0.046426|0.044597|0.042172|0.038979|0.044661|0.042285|0.047585|0.052504|0.061950|0.082361|0.124263|0.214290|0.500000| |1.803164|1.739110|1.572034|1.500541|1.567854|1.735535|1.842913|1.797766|2.599138|1.931205|3.279523|2.031573|0.056248|2.380632|3.057792|1.924354|1.830858|1.609746|1.482144|2.003026|0.038649|0.039765|1.626739|1.797781|2.336647|3.723327|2.808135|2.909771|3.689311|4.131616|5.898095|5.630641|4.957201|5.626466|8.842044|17.747195|8.999022|16.916803|1.356114|0.048878|0.055542|0.047216|0.041658|0.041509|0.055753|0.052716|0.045897|0.054620|0.072442|0.069083|0.050732|0.052201|0.044305|0.043325|0.041588|0.038204|0.045881|0.043916|0.048242|0.054364|0.071558|0.108746|0.107649|0.123643|0.213010|0.500000| |3.651426|4.605348|6.768294|8.840275|5.845883|4.274737|3.974643|3.327746|4.291467|2.632164|4.234938|2.424628|0.073478|2.109728|2.533022|1.891884|2.178876|2.254660|1.978964|2.621857|0.049174|0.057438|1.877910|2.110240|1.693938|2.842002|1.627089|1.503257|1.468517|1.561349|2.972258|1.551966|1.617773|1.574607|1.477310|1.425998|1.459330|3.128666|17.549957|0.089175|0.090033|0.105552|0.194502|0.150717|0.090431|0.080385|0.089636|0.094375|0.058511|0.057919|0.048315|0.052348|0.062058|0.070459|0.050122|0.055033|0.047899|0.050696|0.064746|0.055824|0.040016|0.038433|0.046843|0.044537|0.039826|0.037599|0.500000| 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