Version2.1 2020-12-27T02:59:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 11-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)CCN(c1c(n(c(=O)[nH]c1=O)Cc2ccccc2)N)C(=O)C[NH+](C)C3CCCCC3 C13063222 RHF 6-31G(d) (6D,7F) CC(C)CCN(c1c(n(c(=O)[nH]c1=O)Cc2ccccc2)N)C(=O)C[NH+](C)C3CCCCC3 C01[X(C25H38N5O3)] 207 C1 571 CC(CCN(c1c(=O)[nH]c(=O)n(c1N)Cc1ccccc1)C(=O)C[NH+](C1CCCCC1)C)C CC(CCN(c1c(=O)[nH]c(=O)n(c1N)Cc1ccccc1)C(=O)C[NH+](C1CCCCC1)C)C CC(C)CCN(C(=O)C[NH+](C)C1CCCCC1)C2=C(N)N(Cc3ccccc3)C(=O)NC2=O InChIKey=CVKSLXOTOWSEMP-UHFFFAOYSA-O InChI=1S/C25H37N5O3/c1-18(2)14-15-29(21(31)17-28(3)20-12-8-5-9-13-20)22-23(26)30(25(33)27-24(22)32)16-19-10-6-4-7-11-19/h4,6-7,10-11,18,20H,5,8-9,12-17,26H2,1-3H3,(H,27,32,33)/p+1 InChI=1/C25H37N5O3/c1-18(2)14-15-29(21(31)17-28(3)20-12-8-5-9-13-20)22-23(26)30(25(33)27-24(22)32)16-19-10-6-4-7-11-19/h4,6-7,10-11,18,20H,5,8-9,12-17,26H2,1-3H3,(H,27,32,33)/p+1/fC25H38N5O3/h27-28H/q+1 CC(C)CCN(c1c(n(c(=O)[nH]c1=O)Cc2ccccc2)N)C(=O)C[NH+](C)C3CCCCC3 C01[X(C25H38N5O3)] 207 C01 571 CC(CCN(c1c(=O)[nH]c(=O)n(c1N)Cc1ccccc1)C(=O)C[NH+](C1CCCCC1)C)C CC(CC[N]([C](=O)C[NH](C1CCCCC1)C)[C]1[C]([NH2])N(C(=O)NC1=O)C[C]1[CH][CH][CH][CH][CH]1)C CC(C)CCN([C]1[C](N)N(C[C]2[CH][CH][CH][CH][CH]2)C(=O)NC1=O)C(=O)C[NH](C)C3CCCCC3 InChIKey=LFGKCOKAFBQKCB-UHFFFAOYSA-N InChI=1S/C25H38N5O3/c1-18(2)14-15-29(21(31)17-28(3)20-12-8-5-9-13-20)22-23(26)30(25(33)27-24(22)32)16-19-10-6-4-7-11-19/h4,6-7,10-11,18,20,28H,5,8-9,12-17,26H2,1-3H3,(H,27,32,33) InChI=1/C25H38N5O3/c1-18(2)14-15-29(21(31)17-28(3)20-12-8-5-9-13-20)22-23(26)30(25(33)27-24(22)32)16-19-10-6-4-7-11-19/h4,6-7,10-11,18,20,28H,5,8-9,12-17,26H2,1-3H3,(H,27,32,33)/f/h27H 3589.1320835096 -1465.5544818 1-A 18910.8071 123 448 571 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1492.03 1507.45 1527.71 1543.43 1566.26 1567.55 1596.83 1599.98 1602.18 1613.48 1626.41 1638.07 1639.05 1690.86 1695.58 1701.47 1722.87 1737.23 1742.28 1784.29 1786.40 1789.08 1820.82 1835.94 1866.52 1873.21 1877.03 1878.80 1881.86 1910.86 1931.52 1932.69 1949.03 1979.17 1991.72 2014.93 2027.49 2037.79 2056.19 2057.12 2077.96 2088.06 2113.69 2132.37 2138.93 2151.29 2154.49 2167.50 2183.02 2186.74 2198.38 2204.96 2213.97 2227.83 2238.24 2248.41 2251.34 2253.71 2269.02 2273.13 2304.38 2328.68 2334.83 2335.72 2341.71 2348.98 2351.41 2353.37 2355.65 2357.33 2361.43 2361.88 2368.68 2373.47 2376.27 2383.15 2385.65 2386.40 2397.54 2405.29 2409.36 2564.38 2570.41 2604.76 2664.27 2752.80 2793.77 2862.31 4545.32 4599.53 4603.41 4604.58 4607.39 4611.00 4617.56 4635.55 4644.73 4662.87 4676.21 4690.13 4691.14 4695.86 4698.32 4700.21 4706.30 4707.33 4711.34 4716.73 4717.03 4717.77 4743.27 4752.59 4763.96 4811.90 4827.33 4835.82 4846.68 4849.01 4860.88 4875.29 4881.26 4888.25 5110.72 5488.02 5534.21 5644.24 0.669981 0.700736 0.701681 0.604495 -1464.884501 -1464.853745 -1464.852801 -1464.949987 3.259634D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE CC(C)CCN(c1c(n(c(=O)[nH]c1=O)Cc2ccccc2)N)C(=O)C[NH+](C)C3CCCCC3 C13063222 RHF 6-31G(d) (6D,10F) C1 456.297465 |X|Y|Z| 111.660402 66.104789 45.527992 69.524339 23 6 7 19 4 |36.858105| |12.425456|36.858105| |7.571707|12.436028|36.858105| |7.449536|12.384321|7.583862|36.858105| |6.104387|7.423827|4.890868|12.453234|36.858105| |4.232592|4.889429|3.782764|7.525041|12.920308|53.358707| |3.830062|4.144246|3.407081|6.000928|7.678511|18.204254|36.858105| |3.468387|3.491263|2.902709|4.531195|5.758090|10.642360|13.981371|36.858105| |3.005100|2.968691|2.583748|3.673079|4.203816|7.015093|7.999470|13.873314|53.358707| |2.798076|2.830813|2.561348|3.510245|3.728606|6.138431|6.801906|7.907218|18.637621|36.858105| |2.451908|2.452319|2.271896|2.923618|3.036103|4.787653|4.771210|5.438502|11.445923|15.980742|73.516695| |2.982986|3.156883|2.891075|4.102551|4.170758|7.080220|8.061622|7.070148|11.118878|13.952701|15.124038|53.358707| |2.725388|2.905111|2.756691|3.665728|3.571285|5.800215|5.820654|5.158944|8.045429|9.485289|13.936247|25.959676|0.500000| |3.447765|3.836571|3.399343|5.470525|5.635961|10.602627|13.234639|7.825692|9.238463|7.744152|9.588276|18.800176|0.259470|36.858105| |3.379834|3.979346|3.677350|5.742889|5.323981|9.254520|8.109275|5.359202|6.469284|5.396913|7.550239|11.541102|0.215473|15.837808|73.516695| |2.682489|2.561765|2.252207|2.995293|3.395280|5.269528|5.097661|7.651926|17.541285|7.784568|12.440988|7.056835|0.118957|4.452398|6.181367|36.858105| |2.303909|2.230579|1.972139|2.572207|2.954803|4.649770|4.199703|5.862245|10.298890|5.524011|9.386535|5.593018|0.098241|3.677305|5.325646|12.564463|36.858105| |2.070122|2.051422|1.842580|2.377685|2.688534|4.327537|3.872675|4.965832|8.477643|5.312448|9.456118|5.546137|0.100206|3.575865|5.273902|7.524427|13.680602|36.858105| |1.839574|1.827768|1.651390|2.083050|2.350211|3.723781|3.155523|3.823353|5.918919|3.864531|6.923420|4.364539|0.081214|2.925781|4.483716|5.011407|7.916846|13.783341|36.858105| |1.784989|1.752612|1.575803|1.963862|2.231808|3.449197|2.830612|3.423735|5.068722|3.222675|5.694769|3.720442|0.069267|2.566429|3.981947|4.428725|6.838367|7.924717|13.714935|36.858105| |1.925650|1.857867|1.652577|2.066309|2.373307|3.599956|2.946302|3.672635|5.380690|3.265051|5.676643|3.730753|0.068554|2.599957|3.999666|5.014740|7.895096|6.870065|7.948051|13.783951|36.858105| |2.197644|2.096479|1.845916|2.355706|2.727122|4.142870|3.510478|4.661062|7.108515|4.014704|6.853803|4.397604|0.078963|3.028872|4.535684|7.573969|13.722212|7.947777|6.891859|7.941455|13.714578|36.858105| |3.419272|3.328988|2.711964|4.074203|5.504092|9.143334|8.012297|14.059515|11.157817|5.268649|7.382654|6.405826|0.104886|5.162042|7.176081|6.892648|6.013820|4.760130|3.863022|3.679515|4.164425|5.380081|53.358707| |3.418898|4.032278|3.316195|5.625398|7.661010|19.272462|8.092404|5.694928|5.718682|3.856638|5.555739|6.098147|0.107146|6.332003|11.107162|3.291405|3.072985|2.992318|2.656428|2.450182|2.490359|2.764119|7.019938|36.858105| |2.846932|3.245090|2.793459|4.268110|5.279010|11.480441|7.046474|5.446305|5.776351|3.978446|5.783051|6.239989|0.110830|6.081358|10.469281|3.327612|3.218366|3.266685|2.922826|2.637724|2.608895|2.848016|6.586668|15.827395|73.516695| |3.354350|4.136587|3.437797|5.320381|6.580810|10.472211|5.079392|3.988458|4.308653|2.969877|4.470344|4.610566|0.085033|4.433527|8.418536|2.629050|2.488212|2.426022|2.218449|2.090573|2.127218|2.310423|5.234910|12.406185|14.463715|36.858105| |2.671763|3.192399|2.829677|3.869449|4.373158|7.009532|4.003664|3.304809|3.757819|2.658220|4.098686|4.106799|0.077942|3.754458|7.274705|2.336635|2.269323|2.277720|2.127224|1.994800|1.987030|2.109725|4.317393|7.781330|13.182457|12.734349|53.358707| |2.533957|2.958998|2.631524|3.646435|4.177348|7.213885|4.311283|3.569159|4.068308|2.887742|4.430850|4.469854|0.084454|4.071577|7.757377|2.502288|2.457367|2.508216|2.341407|2.166493|2.131306|2.256680|4.589752|8.460245|17.882565|9.561853|25.495692|0.500000| |2.396631|2.773513|2.463387|3.171591|3.623479|5.482861|3.240738|2.838093|3.277337|2.283937|3.586373|3.405655|0.064888|2.978274|5.560991|2.107647|2.090111|2.094778|2.001183|1.913426|1.907935|1.989922|3.873544|5.393283|9.392544|7.736599|17.399614|0.259608|36.858105| |2.522871|3.073040|2.875121|3.645955|3.738564|5.674632|3.458713|2.849407|3.361467|2.461941|3.856824|3.879514|0.075995|3.489363|7.171608|2.099177|2.016353|2.036593|1.900650|1.772865|1.757814|1.865004|3.629811|5.520005|9.493549|7.560058|16.923268|0.255505|7.482715|36.858105| |2.617842|3.214986|3.081977|3.986696|3.878813|6.079775|3.900030|3.097742|3.706528|2.809629|4.370847|4.630444|0.092425|4.259795|9.531221|2.258982|2.131000|2.165522|1.986024|1.821024|1.798710|1.930266|3.771273|5.687366|10.012448|6.353555|10.370535|0.204562|4.941139|12.421901|36.858105| |2.358306|2.868676|2.907563|3.366102|3.120094|4.618075|3.107258|2.562333|3.174706|2.453121|3.921208|3.999432|0.082648|3.476211|7.716950|1.977219|1.863049|1.897726|1.752771|1.612403|1.589707|1.696570|3.138112|3.942949|6.948793|4.323145|6.702958|0.131226|3.765399|7.548403|12.428585|36.858105| |2.001101|2.359627|2.376501|2.684700|2.575196|3.818052|2.602279|2.225286|2.794839|2.147260|3.493286|3.396558|0.070381|2.841303|5.962422|1.776832|1.706799|1.758504|1.652474|1.525442|1.490318|1.567554|2.776476|3.273156|5.994605|3.589908|5.924733|0.118398|3.609253|6.428361|7.530429|12.470822|36.858105| |1.957784|2.301558|2.276567|2.574296|2.535403|3.718063|2.462660|2.131483|2.642280|1.983118|3.219117|3.070403|0.062379|2.579553|5.240444|1.698500|1.648990|1.690640|1.605486|1.499489|1.469172|1.534386|2.722998|3.248667|5.897911|3.779246|6.666610|0.126863|4.329936|7.554947|6.473193|7.582888|12.469799|36.858105| |2.098842|2.469351|2.357348|2.820928|2.894217|4.360208|2.801584|2.408386|2.922249|2.154400|3.449026|3.323587|0.066145|2.850192|5.701326|1.865310|1.824285|1.869446|1.776930|1.661350|1.628152|1.699413|3.104007|4.032598|7.435773|4.922476|10.240023|0.188711|6.506899|12.438942|7.544877|6.446039|7.490361|12.402492|36.858105| |17.552467|8.687377|5.477854|6.652141|6.675156|6.137597|4.007127|3.747563|4.311494|2.846991|4.407581|4.034977|0.074018|3.422128|5.789961|2.863035|2.471021|2.187629|1.945928|1.906613|2.082264|2.389966|5.271037|3.575923|5.263746|3.466828|3.711647|0.072135|2.481288|2.500571|2.548880|2.257058|1.938367|1.917288|2.086851|0.500000| |17.531026|8.770328|6.785606|6.802151|5.477196|5.554695|3.947400|3.626257|4.399734|3.047271|4.760234|4.398274|0.082117|3.644114|6.245732|2.884230|2.414648|2.155386|1.893415|1.825699|1.972578|2.277085|4.726763|3.255032|4.920681|3.074945|3.399851|0.066962|2.223154|2.377843|2.524778|2.293656|1.945896|1.876504|1.996429|0.301312|0.500000| |17.565622|8.794416|7.018233|5.451366|4.633413|4.686614|3.145367|2.905686|3.511687|2.426712|3.857835|3.488922|0.066147|2.893491|5.104074|2.357256|2.058387|1.861777|1.674354|1.635849|1.762050|1.986646|3.946881|2.910677|4.402983|2.930071|3.269305|0.062995|2.197278|2.298010|2.356224|2.166335|1.862695|1.833172|1.944319|0.303217|0.301979|0.500000| |8.911041|17.467547|8.929820|8.880933|6.918738|6.291316|3.744065|3.198492|3.676631|2.549846|3.954819|3.828108|0.072093|3.403308|6.297353|2.362453|2.105743|1.948017|1.758600|1.699236|1.798444|2.004589|4.282143|4.014888|5.704058|4.420730|4.594275|0.084692|2.996537|3.217710|3.220449|2.857486|2.378996|2.377221|2.575402|0.213214|0.173495|0.212185|0.500000| |6.838527|8.771784|17.539180|6.851707|4.490329|4.947243|3.450132|2.956794|3.666772|2.724110|4.318674|4.210772|0.082863|3.561210|6.830465|2.341731|2.020218|1.885901|1.676933|1.590718|1.666923|1.873431|3.679525|3.144318|4.804342|3.126421|3.566777|0.069086|2.270667|2.670720|2.942947|2.809117|2.298328|2.160767|2.219209|0.138908|0.200462|0.172450|0.173650|0.500000| |5.486610|8.744674|17.543653|6.929991|4.592743|5.069308|3.305766|2.767968|3.354773|2.474357|3.908037|3.866843|0.076161|3.379252|6.766945|2.133459|1.891988|1.792682|1.615321|1.534234|1.593294|1.764223|3.493126|3.408558|5.121734|3.653891|4.158403|0.077875|2.622183|3.218268|3.482009|3.353461|2.678238|2.550542|2.605738|0.122171|0.138934|0.142343|0.213148|0.301651|0.500000| |6.938506|8.777672|17.563051|5.497597|4.039743|4.345114|2.898310|2.548854|3.126814|2.264331|3.624961|3.402492|0.066570|2.860868|5.406561|2.048509|1.811851|1.691295|1.529373|1.471347|1.546869|1.716497|3.311246|2.851942|4.346301|2.994218|3.431528|0.065047|2.255360|2.559410|2.679000|2.567786|2.154183|2.089022|2.147975|0.141901|0.168201|0.212077|0.213831|0.301767|0.301778|0.500000| |5.471356|8.840608|7.164593|17.543062|8.863535|9.452980|5.463364|4.043735|4.560800|3.306231|4.945944|5.427403|0.101727|5.416159|11.290049|2.728566|2.394200|2.266626|2.004643|1.876953|1.944960|2.183733|4.891643|5.972038|8.055931|6.060245|6.028131|0.113431|3.472629|4.378754|4.963230|4.125632|3.141298|2.977514|3.248842|0.136896|0.140725|0.123119|0.211022|0.176347|0.216536|0.144293|0.500000| |6.841813|8.825058|6.849345|17.568127|8.873690|9.285424|6.536874|4.911944|5.606825|4.056635|5.933099|6.622057|0.120069|6.453416|11.714689|3.283088|2.728316|2.510587|2.162840|2.018043|2.123072|2.452065|5.669003|5.010639|7.179198|4.405319|4.640369|0.092292|2.808995|3.265185|3.709958|3.209566|2.570038|2.409022|2.598326|0.165843|0.204416|0.140557|0.173918|0.202736|0.168973|0.140049|0.305939|0.500000| |6.731799|6.686064|4.456880|8.826101|17.637831|12.629840|7.221534|6.280935|6.176661|3.833665|5.564551|5.521780|0.095465|5.110059|8.072534|3.765216|3.202984|2.815205|2.440624|2.346042|2.552024|2.995058|8.809949|5.851373|7.947056|4.965035|4.899418|0.097591|3.128486|3.105070|3.206116|2.665766|2.256071|2.222052|2.506390|0.230988|0.171875|0.137952|0.168368|0.117114|0.111241|0.106094|0.173795|0.214014|0.500000| |5.582362|6.884764|4.592312|8.809899|17.568236|12.395790|5.661856|4.618826|4.776295|3.128249|4.659542|4.670179|0.083790|4.418831|7.700702|2.957091|2.669551|2.453652|2.196365|2.114966|2.244981|2.525163|6.442374|7.217601|8.869688|7.573462|6.474239|0.120459|4.084042|3.932899|3.821362|3.069072|2.573340|2.608707|3.026024|0.174425|0.130885|0.124843|0.210920|0.111862|0.122737|0.109548|0.207683|0.173623|0.306048|0.500000| |2.509871|2.393803|2.153879|2.759811|3.003141|4.558276|4.334094|5.764741|12.654550|7.851378|15.169347|6.890440|0.121613|4.101172|5.834454|17.699387|8.894839|6.621855|4.581484|3.995103|4.361956|6.024714|6.854479|2.897484|5.221528|2.366343|2.901371|0.063159|1.922584|1.953942|2.122745|1.891217|1.704231|1.615483|1.750799|0.073001|0.075986|0.061927|0.060946|0.063012|0.056711|0.054639|0.070471|0.085216|0.091082|0.072985|0.500000| |2.915723|2.697943|2.337089|3.092074|3.541199|5.237927|4.839486|7.129386|12.463712|5.965693|9.473112|6.058019|0.103573|4.067247|5.774515|17.619810|8.859535|5.573128|4.181716|3.980046|4.776056|7.321672|10.022602|3.193103|5.555265|2.600357|3.095507|0.066605|2.070417|2.037356|2.165853|1.900501|1.703954|1.641449|1.801916|0.088125|0.087516|0.070999|0.068986|0.067306|0.060626|0.059410|0.076506|0.093659|0.113690|0.085776|0.303432|0.500000| |2.077950|2.085755|1.892335|2.447191|2.717202|4.438375|4.087543|5.039586|9.052218|6.403379|11.867988|6.510472|0.118801|3.980758|5.825263|6.969865|8.895084|17.723647|8.938398|5.643204|4.951275|5.648177|6.040440|3.089678|6.087456|2.479826|3.191649|0.072282|2.120215|2.123557|2.302812|2.022475|1.867139|1.771372|1.947861|0.060208|0.060436|0.051770|0.054645|0.054166|0.051436|0.047945|0.065470|0.072616|0.077712|0.068177|0.184638|0.140262|0.500000| |1.711434|1.717976|1.568070|1.955357|2.178403|3.455660|2.893934|3.360407|5.124210|3.531227|6.420387|4.119214|0.078353|2.759769|4.310903|4.087635|5.639354|8.942566|17.722982|8.905703|5.651585|4.962272|4.509146|2.519495|5.003596|2.126959|2.830161|0.063948|1.959589|1.875142|1.963412|1.744418|1.661907|1.610723|1.776096|0.049872|0.048811|0.043466|0.046046|0.044222|0.042918|0.040374|0.052910|0.056269|0.061904|0.056873|0.107541|0.096126|0.216068|0.500000| |1.635643|1.611363|1.458044|1.788858|2.018106|3.088480|2.480404|2.905556|4.208091|2.750400|4.882220|3.262700|0.061591|2.274527|3.594166|3.543427|4.934594|5.641973|8.900954|17.724997|8.922788|5.645076|4.237535|2.227956|4.269379|1.937947|2.550345|0.056370|1.820558|1.672505|1.704032|1.519151|1.451680|1.434588|1.585850|0.048386|0.046226|0.041955|0.043677|0.040752|0.039584|0.038008|0.047812|0.050721|0.058471|0.053738|0.090910|0.090591|0.124187|0.214734|0.500000| |1.840987|1.764268|1.570841|1.932274|2.213112|3.286725|2.622240|3.185444|4.533463|2.797800|4.862440|3.275170|0.060705|2.316389|3.617325|4.095214|5.630848|4.950977|5.646151|8.917706|17.723072|8.912164|4.992889|2.282105|4.200282|1.990430|2.534379|0.054948|1.811819|1.649942|1.671611|1.485612|1.398712|1.388004|1.535123|0.055516|0.052085|0.047199|0.047759|0.043828|0.042002|0.041148|0.050479|0.054719|0.066298|0.058898|0.101205|0.113763|0.107505|0.124132|0.214748|0.500000| |2.326609|2.172841|1.898992|2.405457|2.790169|4.103317|3.418251|4.512177|6.640079|3.731719|6.310150|4.159909|0.074715|2.912040|4.385613|7.031146|8.900093|5.642421|4.959107|5.651404|8.920918|17.680855|7.415787|2.683680|4.788147|2.273260|2.786840|0.060026|1.938381|1.813059|1.867823|1.647270|1.515323|1.487689|1.643066|0.071135|0.067101|0.058521|0.057646|0.053493|0.049924|0.049301|0.061091|0.069457|0.087170|0.071867|0.157354|0.225595|0.123995|0.107637|0.124235|0.215774|0.500000| |3.532188|3.513438|2.799717|4.308801|6.309933|10.595990|7.544469|9.571424|8.116628|4.346957|6.238134|5.656799|0.094993|4.825761|7.041578|5.077495|4.737054|4.019227|3.445974|3.339561|3.709762|4.467675|26.050528|6.035238|9.607615|4.490296|4.874285|0.104737|3.239710|2.907433|2.942050|2.406201|2.128221|2.118499|2.455788|0.113079|0.096171|0.083158|0.094737|0.075832|0.074093|0.069794|0.106085|0.116231|0.202044|0.157833|0.110882|0.148944|0.105171|0.084130|0.080672|0.093485|0.125881|0.500000| |2.950264|2.846365|2.380653|3.359106|4.286662|6.885239|5.907597|9.423805|10.294150|4.905713|7.237584|5.678871|0.095553|4.302988|6.143118|7.724244|7.763865|5.647415|4.567585|4.468139|5.305520|7.302181|26.009939|4.253875|7.467692|3.311980|3.873758|0.084620|2.616292|2.413129|2.488837|2.102175|1.892133|1.861307|2.112272|0.092011|0.083494|0.071264|0.075467|0.066138|0.062867|0.060186|0.084129|0.095547|0.135990|0.106996|0.149402|0.227449|0.136311|0.104435|0.101775|0.126066|0.201096|0.317412|0.500000| |3.384453|4.044195|3.276010|4.856103|6.374409|9.099609|4.509123|3.770879|4.065072|2.732832|4.155466|4.096052|0.075356|3.787203|6.887845|2.550595|2.440792|2.348616|2.171323|2.084233|2.144907|2.317596|5.250370|8.804437|11.335314|17.642169|12.303020|0.198523|7.911593|5.764157|4.732264|3.534227|3.064550|3.303501|4.221402|0.100124|0.084386|0.082954|0.124971|0.081744|0.094516|0.081180|0.143003|0.110735|0.140469|0.232340|0.063344|0.071234|0.065494|0.057434|0.053881|0.056353|0.063991|0.129478|0.092992|0.500000| |3.707580|4.903657|4.103116|6.367693|6.903888|9.431810|4.759100|3.684710|4.069322|2.864357|4.337746|4.523619|0.084693|4.372877|8.733772|2.487751|2.310612|2.239571|2.037895|1.921007|1.962804|2.143077|4.740349|8.728834|10.867185|17.697646|12.255660|0.191254|6.050766|7.627423|6.817397|4.780668|3.760467|3.885938|4.769690|0.103016|0.093101|0.089781|0.147976|0.100871|0.125526|0.097074|0.224279|0.138508|0.138908|0.219697|0.063082|0.068823|0.063962|0.054327|0.049511|0.051188|0.059067|0.109551|0.083265|0.303030|0.500000| |2.122069|2.421999|2.198388|2.744028|3.060088|4.664296|2.891986|2.575776|3.044613|2.147014|3.413297|3.186462|0.061440|2.723446|5.091390|1.975901|1.982076|2.016339|1.949865|1.859602|1.831042|1.886893|3.491916|4.451658|8.284438|5.626970|12.273324|0.225363|17.708563|6.776134|4.618697|3.669620|3.733175|4.648759|7.301163|0.060667|0.055335|0.054476|0.071665|0.056973|0.065042|0.056287|0.083218|0.069086|0.074940|0.092870|0.050442|0.053493|0.056888|0.053665|0.049568|0.048328|0.050684|0.079517|0.066629|0.153112|0.130501|0.500000| |2.433152|2.753088|2.393654|3.145866|3.760529|5.751729|3.373274|3.025861|3.445865|2.348040|3.673604|3.436016|0.064609|2.987284|5.399466|2.233309|2.240434|2.230964|2.141982|2.068026|2.073298|2.155288|4.258529|5.588509|9.747793|7.341936|12.364572|0.222919|17.648827|5.512177|4.148603|3.215720|3.054428|3.501368|4.832865|0.071339|0.062618|0.061727|0.082549|0.061488|0.069378|0.061088|0.092571|0.077583|0.091980|0.119212|0.055935|0.061219|0.061917|0.057819|0.054614|0.054827|0.058348|0.101304|0.080253|0.238743|0.151973|0.301631|0.500000| |2.431179|2.838563|2.537425|3.140436|3.500049|4.991178|2.947781|2.590421|3.012230|2.104282|3.324671|3.132316|0.060028|2.724698|5.125789|1.955146|1.922384|1.907794|1.821417|1.755050|1.764587|1.844021|3.553840|4.608549|7.621982|6.842671|12.288156|0.180660|17.635179|6.874151|4.520670|3.631812|3.473635|4.266650|5.998407|0.069566|0.061845|0.062647|0.087273|0.063998|0.075606|0.065213|0.095862|0.076153|0.084050|0.112455|0.049838|0.053886|0.053497|0.049404|0.046488|0.046891|0.050395|0.082192|0.066616|0.207345|0.166452|0.299174|0.298853|0.500000| |2.656419|3.307465|3.123955|3.792292|3.777642|5.366292|3.222237|2.672930|3.152518|2.295676|3.611057|3.588869|0.070318|3.212903|6.572449|1.988483|1.895756|1.890402|1.763966|1.661526|1.663529|1.769548|3.447773|4.904547|7.907727|7.161452|12.406149|0.181758|6.743196|17.566208|8.781458|6.769004|5.636495|6.787857|8.852085|0.072514|0.068457|0.067827|0.098804|0.078721|0.099200|0.077676|0.128465|0.091910|0.086724|0.113612|0.051544|0.054263|0.054373|0.048070|0.043588|0.043667|0.048268|0.076943|0.063496|0.161756|0.230596|0.161630|0.141168|0.201301|0.500000| |3.045094|3.865972|3.661283|5.096842|4.761803|7.452619|4.654639|3.515380|4.125746|3.127349|4.768408|5.299027|0.104196|5.176571|12.404759|2.463360|2.273808|2.275674|2.053335|1.881758|1.878774|2.046334|4.191436|6.725587|10.744729|7.172603|9.447385|0.183436|4.539869|8.722033|17.613009|8.869890|5.507386|4.841791|5.475288|0.081505|0.081632|0.074689|0.105409|0.097038|0.115781|0.085706|0.188855|0.130371|0.105286|0.126099|0.064075|0.065948|0.067261|0.055761|0.048488|0.048366|0.055353|0.090737|0.075263|0.142719|0.235246|0.112803|0.110779|0.117518|0.210234|0.500000| |2.439089|2.901803|2.752807|3.618484|3.648170|6.042115|4.067993|3.258827|3.943432|3.024504|4.702209|5.013390|0.100490|4.541774|9.970015|2.383621|2.272559|2.352522|2.157368|1.951376|1.903415|2.034966|3.911241|5.773335|11.458022|5.692559|9.555088|0.223031|4.704976|8.870687|17.538279|8.848487|6.824628|5.724175|6.856963|0.066709|0.066233|0.060847|0.079716|0.074392|0.084007|0.066950|0.119175|0.096462|0.085703|0.097933|0.062183|0.062484|0.070306|0.059750|0.050660|0.048755|0.054039|0.083894|0.072328|0.120821|0.153941|0.127055|0.113356|0.113929|0.173418|0.305153|0.500000| |2.462065|3.052400|3.176230|3.475573|3.124578|4.420220|2.924332|2.424022|2.992763|2.290709|3.669968|3.693444|0.075890|3.208056|7.025608|1.880620|1.761965|1.773565|1.639051|1.521869|1.513256|1.618228|3.003492|3.665626|6.197941|4.184186|6.183887|0.115428|3.597480|6.806584|8.832485|17.508011|8.844556|6.805482|5.655841|0.064690|0.065854|0.063392|0.085411|0.083832|0.105043|0.078170|0.120318|0.090450|0.073972|0.086541|0.050014|0.050775|0.052075|0.045052|0.039866|0.039507|0.044016|0.064212|0.055745|0.097146|0.135259|0.095455|0.085457|0.100503|0.199420|0.214385|0.173591|0.500000| |2.341278|2.819492|2.907404|3.331961|3.024734|4.497384|3.150631|2.596308|3.277064|2.594759|4.171942|4.311549|0.091454|3.685514|8.428155|2.029336|1.894929|1.937068|1.775404|1.620361|1.594250|1.709327|3.122083|3.701498|6.589246|3.808491|5.595476|0.113764|3.208959|5.519470|8.908527|17.582351|8.801786|5.507027|4.841726|0.061753|0.064336|0.059595|0.076125|0.080085|0.092472|0.070896|0.112223|0.091292|0.072659|0.080489|0.054454|0.053838|0.057955|0.049172|0.042274|0.041215|0.046010|0.065451|0.058174|0.087599|0.115975|0.086878|0.078722|0.085353|0.139585|0.217068|0.215809|0.303851|0.500000| |1.878838|2.198801|2.259413|2.448197|2.314219|3.363079|2.321982|2.011545|2.557231|1.974340|3.249160|3.098348|0.064838|2.542533|5.288011|1.642558|1.575002|1.619755|1.525796|1.413091|1.382213|1.451636|2.517825|2.797226|5.066254|3.037044|4.797989|0.095437|3.039500|4.836477|5.489805|8.828758|17.567975|8.846318|5.477454|0.050237|0.050939|0.049044|0.061406|0.061040|0.070861|0.057483|0.078745|0.065646|0.057007|0.064110|0.044094|0.043879|0.047730|0.042672|0.037459|0.036154|0.039095|0.053258|0.047897|0.073765|0.089298|0.087024|0.072935|0.082952|0.126611|0.123590|0.139780|0.215046|0.210322|0.500000| |1.903267|2.208877|2.200934|2.537825|2.476212|3.759644|2.619431|2.258985|2.865945|2.219859|3.629605|3.507116|0.073178|2.888004|5.995334|1.820760|1.762748|1.839775|1.734430|1.588156|1.536892|1.609596|2.802239|3.239097|6.164602|3.404006|5.658770|0.119380|3.465590|5.627690|6.776554|8.854174|17.515959|8.848817|6.730152|0.051558|0.051828|0.049042|0.061337|0.059785|0.067694|0.055426|0.081026|0.068447|0.060840|0.068035|0.048600|0.048051|0.054648|0.048856|0.042036|0.039899|0.042891|0.059280|0.053408|0.080928|0.095777|0.101715|0.082990|0.089824|0.130437|0.140067|0.200808|0.173667|0.214694|0.303548|0.500000| |1.998136|2.368613|2.371451|2.592188|2.514568|3.580167|2.346762|2.034181|2.515405|1.878374|3.051348|2.896344|0.058706|2.437298|4.942460|1.625406|1.569225|1.593087|1.510822|1.421097|1.403046|1.468963|2.617165|3.063917|5.382935|3.662409|6.151768|0.112243|4.110064|6.809083|5.666199|6.808130|8.850697|17.513351|8.851733|0.054037|0.052787|0.052393|0.068755|0.061810|0.074714|0.060915|0.083650|0.066665|0.061172|0.072686|0.042982|0.043992|0.046119|0.041873|0.037766|0.036989|0.039840|0.056702|0.049566|0.090597|0.108220|0.118195|0.092713|0.119059|0.199980|0.126328|0.131965|0.199938|0.139463|0.215586|0.173686|0.500000| |1.764574|2.037603|2.016240|2.251643|2.237561|3.279124|2.204993|1.944805|2.436551|1.827953|2.997626|2.791647|0.056910|2.299214|4.581278|1.584530|1.552575|1.601070|1.535322|1.437631|1.401352|1.451480|2.502843|2.827299|5.212702|3.206864|5.556640|0.108913|3.841005|5.520974|4.858343|5.506833|8.802482|17.573227|8.891302|0.048214|0.047152|0.046182|0.058384|0.053470|0.061950|0.051939|0.070848|0.059049|0.055341|0.063911|0.041997|0.042481|0.046504|0.043045|0.038451|0.036881|0.039007|0.053868|0.048009|0.080047|0.089728|0.119055|0.088411|0.104791|0.139905|0.106826|0.128195|0.139426|0.123182|0.210980|0.214498|0.304022|0.500000| |1.993572|2.305808|2.187091|2.662390|2.777875|4.315992|2.840414|2.466782|3.015942|2.231295|3.581873|3.428267|0.068326|2.903245|5.728491|1.924131|1.903019|1.977855|1.890806|1.754530|1.700470|1.763935|3.166193|4.033924|7.915871|4.574162|9.458894|0.202589|6.067259|8.849219|6.815426|5.661538|6.744683|8.822583|17.502765|0.055414|0.053185|0.051114|0.065950|0.057935|0.066155|0.055329|0.083669|0.069276|0.067627|0.079431|0.050136|0.051130|0.057511|0.052944|0.046615|0.044333|0.046940|0.069185|0.060353|0.109360|0.117718|0.203161|0.132313|0.143404|0.173868|0.139760|0.202946|0.131064|0.126916|0.138805|0.197592|0.173641|0.215854|0.500000| 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