Version2.0 2020-04-15T09:19:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Mar-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H](C(=O)NCC[NH+]1CCCC1)Oc2ccc3c(c2)[C@@H](N(CC3)C(=O)C(C)C)c4cccc(c4)F C34686400 RHF 6-31G(d) (6D,7F) CC[C@@H](C(=O)NCC[NH+]1CCCC1)Oc2ccc3c(c2)[C@@H](N(CC3)C(=O)C(C)C)c4cccc(c4)F C01[X(C29H39F1N3O3)] 219 C1 618 CC[C@@H](C(=O)NCC[NH+]1CCCC1)Oc1ccc2c(c1)[C@H](c1cccc(c1)F)N(CC2)C(=O)C(C)C CC[C@@H](C(=O)NCC[NH+]1CCCC1)Oc1ccc2c(c1)[C@H](c1cccc(c1)F)N(CC2)C(=O)C(C)C CC[C@H](Oc1ccc2CCN([C@@H](c3cccc(F)c3)c2c1)C(=O)C(C)C)C(=O)NCC[NH+]4CCCC4 InChIKey=BEIVGUITTSHCRI-SVBPBHIXSA-O InChI=1S/C29H38FN3O3/c1-4-26(28(34)31-13-17-32-14-5-6-15-32)36-24-11-10-21-12-16-33(29(35)20(2)3)27(25(21)19-24)22-8-7-9-23(30)18-22/h7-11,18-20,26-27H,4-6,12-17H2,1-3H3,(H,31,34)/p+1/t26-,27-/m0/s1 InChI=1/C29H38FN3O3/c1-4-26(28(34)31-13-17-32-14-5-6-15-32)36-24-11-10-21-12-16-33(29(35)20(2)3)27(25(21)19-24)22-8-7-9-23(30)18-22/h7-11,18-20,26-27H,4-6,12-17H2,1-3H3,(H,31,34)/p+1/t26-,27-/m0/s1/fC29H39FN3O3/h31-32H/q+1 CC[C@@H](C(=O)NCC[NH+]1CCCC1)Oc2ccc3c(c2)[C@@H](N(CC3)C(=O)C(C)C)c4cccc(c4)F C01[X(C29H39F1N3O3)] 219 C01 618 CC[C@@H](C(=O)NCC[NH+]1CCCC1)Oc1ccc2c(c1)[C@H](c1cccc(c1)F)N(CC2)C(=O)C(C)C CC[C@@H](C(=O)NCC[NH]1CCCC1)Oc1ccc2c(c1)[C@H](c1cccc(c1)F)N(CC2)C(=O)C(C)C CC[C@H](Oc1ccc2CCN([C@@H](c3cccc(F)c3)c2c1)C(=O)C(C)C)C(=O)NCC[NH]4CCCC4 InChIKey=DEROQWRUSLMQJR-SVBPBHIXSA-N InChI=1S/C29H39FN3O3/c1-4-26(28(34)31-13-17-32-14-5-6-15-32)36-24-11-10-21-12-16-33(29(35)20(2)3)27(25(21)19-24)22-8-7-9-23(30)18-22/h7-11,18-20,26-27,32H,4-6,12-17H2,1-3H3,(H,31,34)/t26-,27-/m0/s1 InChI=1/C29H39FN3O3/c1-4-26(28(34)31-13-17-32-14-5-6-15-32)36-24-11-10-21-12-16-33(29(35)20(2)3)27(25(21)19-24)22-8-7-9-23(30)18-22/h7-11,18-20,26-27,32H,4-6,12-17H2,1-3H3,(H,31,34)/t26-,27-/m0/s1/f/h31H 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1921.93 1925.39 1938.00 1945.74 1951.27 1957.21 1964.42 2002.75 2009.09 2023.12 2036.95 2050.90 2061.39 2066.85 2075.78 2083.33 2096.05 2114.56 2118.10 2128.67 2128.79 2147.20 2177.69 2186.63 2188.26 2196.59 2203.51 2210.31 2218.51 2237.69 2257.70 2267.07 2268.57 2282.01 2283.33 2301.58 2316.86 2322.28 2339.51 2346.03 2348.52 2352.61 2355.51 2358.50 2361.09 2365.38 2369.53 2374.56 2375.26 2381.57 2382.84 2388.23 2392.85 2411.40 2418.02 2457.32 2557.94 2569.61 2613.70 2621.54 2745.83 2799.24 4614.48 4619.13 4622.51 4625.99 4632.82 4633.41 4662.63 4668.30 4669.57 4673.78 4698.29 4700.72 4716.25 4716.66 4717.29 4722.17 4728.78 4732.07 4736.36 4743.78 4749.65 4751.63 4756.55 4770.34 4774.62 4786.47 4820.55 4827.90 4836.60 4839.07 4843.12 4849.18 4870.04 4891.49 4895.99 4896.86 4915.29 5325.66 5631.24 0.698437 0.731644 0.732588 0.630155 -1607.417249 -1607.384043 -1607.383098 -1607.485531 3.435620D-04 MUNgauss RevisionA2.0 retrievium 15-Apr-2020 DUDE CC[C@@H](C(=O)NCC[NH+]1CCCC1)Oc2ccc3c(c2)[C@@H](N(CC3)C(=O)C(C)C)c4cccc(c4)F C34686400 RHF 6-31G(d) (6D,10F) C1 496.297546 |X|Y|Z| 78.969931 111.972035 40.942413 71.271339 27 6 7 8 23 3 1 |36.858105| |12.473913|36.858105| |7.491021|12.461157|36.858105| |6.918837|8.883365|17.630221|0.500000| |4.913595|7.605955|12.485649|0.251840|36.858105| |4.268146|6.140285|7.988927|0.206732|15.840200|73.516695| |4.031277|5.663128|7.779282|0.164451|14.094870|15.146978|53.358707| |3.147247|4.133784|5.008364|0.118473|7.824914|12.317853|18.024554|36.858105| |2.757701|3.448669|4.284652|0.110205|6.243254|11.214921|10.621468|12.437381|36.858105| |2.284689|2.755444|3.220614|0.084131|4.247175|7.798441|6.893279|7.580742|12.746428|53.358707| |2.205681|2.632622|3.054085|0.078787|3.897893|6.823779|6.603222|7.104404|9.384381|25.706506|0.500000| |2.039380|2.387201|2.783072|0.075300|3.474781|6.499268|5.252131|4.925039|7.594286|17.287198|0.261390|36.858105| |1.795102|2.072537|2.332610|0.062885|2.828139|5.286595|4.240847|3.917843|5.089757|10.974955|0.202194|12.520505|36.858105| |1.848731|2.160812|2.378923|0.063385|2.931331|5.583716|4.382353|4.187562|5.051341|10.683033|0.187811|7.883081|12.355645|36.858105| |2.160358|2.602849|2.899319|0.075677|3.767991|7.214760|5.824981|6.201099|7.493429|17.213217|0.256110|7.977086|7.755075|12.353534|36.858105| |6.470611|8.014398|13.525564|0.256205|7.843459|9.586650|9.676440|4.638219|3.964034|4.161197|0.083363|2.657012|2.237781|2.240650|2.689867|73.516695| |4.656808|5.199576|7.896237|0.200749|6.128743|8.205999|8.203025|4.298367|3.986235|4.210397|0.085126|2.766387|2.294421|2.230826|2.630156|24.790844|36.858105| |4.171209|4.413028|6.393625|0.199142|5.169282|7.652425|6.419579|3.660168|3.665981|3.941356|0.078226|2.703295|2.230712|2.137202|2.465700|13.928988|13.713398|36.858105| |3.222176|3.350290|4.415585|0.132832|3.957105|6.164678|5.222333|3.206567|3.350059|3.749331|0.075348|2.660775|2.201856|2.059473|2.319095|9.241232|7.985779|13.798354|36.858105| |2.828502|2.965271|3.761645|0.106200|3.523932|5.454118|4.980964|3.152705|3.274970|3.767277|0.077882|2.671422|2.228673|2.059841|2.302360|8.148193|6.821248|7.849766|13.678426|36.858105| |2.972431|3.177458|4.014849|0.106625|3.789420|5.646468|5.688307|3.530906|3.492844|3.994263|0.084534|2.727903|2.288945|2.140921|2.432050|9.334612|7.890158|6.831795|7.973123|13.724789|36.858105| |3.685362|4.059816|5.368567|0.133769|4.835643|6.741086|7.396939|4.179477|3.861928|4.231852|0.088731|2.773976|2.321163|2.228873|2.604192|14.507749|13.808188|7.959017|6.954588|7.930562|13.694010|36.858105| |2.499394|2.659218|3.171740|0.083185|3.102124|4.743767|4.796101|3.168038|3.116036|3.758009|0.081982|2.579296|2.223055|2.066702|2.307494|7.016400|5.032502|4.419524|4.997203|7.461964|12.505397|7.626242|36.858105| |2.532842|2.650423|3.071322|0.079592|2.934159|4.468916|4.509259|2.949703|2.810135|3.409369|0.074261|2.315173|2.030620|1.919728|2.144510|6.909181|4.727009|4.025117|4.325120|5.852537|9.010302|7.045605|17.686246|0.500000| |2.165593|2.260266|2.644404|0.071361|2.587401|4.086600|3.868106|2.628604|2.669937|3.315879|0.071766|2.359236|2.062961|1.892712|2.059673|5.590075|3.904679|3.753626|4.521379|6.744967|7.714763|5.091327|13.040767|0.259373|53.358707| |2.089673|2.188470|2.595084|0.071773|2.570094|4.137612|3.764551|2.588077|2.738212|3.407890|0.072701|2.502357|2.160595|1.945458|2.094117|5.311991|3.754492|3.876395|5.021088|7.594899|6.745904|4.532229|7.731671|0.159545|17.851129|36.858105| |2.322417|2.402992|2.908569|0.082648|2.796612|4.493283|3.954511|2.633087|2.793579|3.368022|0.070067|2.469528|2.101584|1.912296|2.079186|5.975071|4.425574|5.001414|7.539200|12.599971|7.557597|5.019753|6.397951|0.140936|10.608779|12.500005|36.858105| |1.961647|2.019097|2.291669|0.061671|2.230620|3.557495|3.314105|2.277997|2.280612|2.889938|0.062698|2.056769|1.842477|1.705869|1.836739|4.785058|3.185924|3.043658|3.509084|4.680405|5.237994|3.988248|7.870657|0.216466|18.926401|7.543817|5.337655|36.858105| |1.979341|2.031202|2.268030|0.060192|2.196880|3.481596|3.290245|2.255755|2.204545|2.797985|0.061015|1.959210|1.771384|1.662245|1.798967|4.776197|3.094367|2.860083|3.156332|4.029380|4.768923|3.909134|7.150333|0.239179|11.605102|5.290559|4.207702|15.816797|73.516695| |1.729243|1.764412|1.979274|0.054038|1.931776|3.139819|2.819005|1.964203|1.996107|2.569226|0.055287|1.865822|1.692820|1.559902|1.651860|4.020245|2.628398|2.600390|3.018408|3.811797|3.893274|3.103023|4.963518|0.133810|10.340056|6.337186|4.674912|12.467580|14.282123|36.858105| |1.569254|1.599092|1.761521|0.047788|1.728634|2.825832|2.529753|1.784004|1.795732|2.346636|0.050740|1.699085|1.569367|1.456186|1.530801|3.540611|2.247602|2.191503|2.456250|2.967929|3.106722|2.618809|3.899371|0.110181|6.917584|4.303272|3.411520|7.608970|12.381180|12.450502|36.858105| |1.738236|1.742004|1.944205|0.053742|1.861188|3.035169|2.659983|1.828443|1.855231|2.363065|0.050147|1.719283|1.557095|1.445314|1.532622|3.941496|2.579218|2.617264|3.070001|3.761887|3.647123|2.951567|4.216734|0.116266|8.019679|5.427754|4.694678|7.606512|10.447080|12.388830|7.537470|36.858105| |2.348090|2.577224|3.050074|0.078531|3.162146|4.867393|5.154326|3.598556|3.537203|4.383785|0.099576|2.952949|2.548286|2.349120|2.634060|6.483322|4.343510|3.747596|4.011606|5.281538|7.473455|6.125111|12.398809|0.249948|10.466596|5.887221|4.720021|5.837691|10.071972|4.132230|3.518753|3.388168|36.858105| |2.125164|2.312235|2.629420|0.067361|2.724336|4.257782|4.416603|3.175178|3.043597|3.930996|0.090552|2.639132|2.367846|2.212261|2.445614|5.475884|3.452426|2.997315|3.130885|3.876293|5.035070|4.545898|7.533821|0.202459|8.010702|4.496774|3.637348|5.448106|10.522071|3.971007|3.655830|3.176786|13.668030|36.858105| |1.967685|2.166829|2.428278|0.062092|2.591036|4.122290|4.246319|3.218401|3.088118|4.175943|0.099305|2.781256|2.559696|2.393268|2.619951|4.880747|2.970038|2.610069|2.679612|3.166321|3.871479|3.677944|4.994958|0.133163|5.787914|3.601551|3.001844|4.023290|7.578796|3.232898|3.099807|2.644263|7.882793|13.754984|36.858105| |1.976811|2.219681|2.515964|0.064399|2.787041|4.487547|4.658370|3.733316|3.684986|5.192274|0.130016|3.414433|3.132717|2.875811|3.155021|4.923641|2.978645|2.642806|2.694054|3.112094|3.695342|3.571828|4.382534|0.111222|5.122763|3.428610|2.925732|3.402628|6.103220|2.838295|2.670711|2.381216|6.777361|7.901630|13.732436|36.858105| |2.155004|2.453500|2.880260|0.073994|3.263082|5.216541|5.559942|4.483728|4.673932|6.379340|0.161697|4.175398|3.576947|3.186850|3.584122|5.632245|3.507673|3.121162|3.203206|3.727927|4.429309|4.227532|4.995806|0.118632|5.666221|3.960347|3.419827|3.516997|6.058369|2.910641|2.629055|2.476413|7.993370|6.995860|8.091870|13.885358|36.858105| |2.365800|2.670623|3.235839|0.083521|3.548442|5.513876|5.967740|4.381520|4.550116|5.628408|0.131168|3.760545|3.118709|2.804596|3.185805|6.600868|4.387105|3.859642|4.077304|5.071205|6.453475|5.703099|7.429274|0.158067|7.633821|5.245475|4.462229|4.321277|7.218730|3.398320|2.929687|2.886823|13.694781|7.957463|6.879594|7.863511|13.846509|36.858105| |2.103617|2.428713|2.855718|0.074114|3.375035|5.586075|5.707506|5.023180|5.824569|8.912325|0.250411|5.830277|4.802248|4.061342|4.561834|5.336067|3.254302|2.977422|3.016744|3.341609|3.736934|3.666448|3.881507|0.093733|4.604057|3.404709|3.077320|2.889124|4.927021|2.492729|2.262519|2.179538|5.270577|4.665327|5.294835|8.114570|14.001510|8.127720|97.533100| |17.542822|8.781563|6.782676|0.205073|4.566363|7.388050|4.983500|2.920830|2.654469|3.000886|0.058641|2.003262|1.758159|1.797796|2.079322|10.069885|4.446737|4.308610|3.323517|2.830217|2.873986|3.455901|2.393327|0.066590|2.872585|2.071089|2.339719|1.905696|3.379350|1.698091|1.533209|1.722852|2.228064|2.002248|1.852246|1.868218|2.049392|2.258176|4.535675|0.500000| |17.593424|8.781737|6.778666|0.170145|4.488891|6.721513|5.320304|3.037976|2.664429|3.021007|0.060310|1.986508|1.749086|1.783546|2.072373|12.737863|5.164516|4.456886|3.440040|3.056721|3.266261|4.122447|2.731179|0.078189|3.191228|2.227126|2.481893|2.129216|3.847589|1.859185|1.681970|1.877373|2.510961|2.270429|2.069188|2.047105|2.222056|2.474162|4.790766|0.300999|0.500000| |17.572748|8.833673|5.477213|0.141292|4.092630|6.580342|4.742185|2.836502|2.480429|2.861102|0.056518|1.879877|1.679874|1.745393|2.024580|8.656050|3.721355|3.372605|2.725664|2.447199|2.575603|3.111887|2.229692|0.063220|2.658750|1.879177|2.058646|1.794880|3.240974|1.595175|1.463803|1.602909|2.118529|1.952514|1.827164|1.831810|1.968933|2.127181|4.335881|0.302045|0.301621|0.500000| |8.826948|17.569649|8.959674|0.213792|7.222205|12.100802|7.034234|4.034699|3.426455|3.762025|0.072124|2.402313|2.098208|2.218656|2.676415|10.271819|4.236442|3.816960|2.998878|2.653053|2.786188|3.416973|2.371281|0.065053|2.792480|2.012845|2.199223|1.840785|3.275525|1.628705|1.483540|1.606785|2.332381|2.108254|2.006816|2.081048|2.296731|2.453751|5.221968|0.210901|0.172792|0.212513|0.500000| |8.833342|17.539244|8.911486|0.174670|6.908822|9.686181|8.066198|4.354149|3.443328|3.798147|0.075212|2.371560|2.081487|2.191032|2.660136|13.081388|4.825890|3.909536|3.077585|2.831126|3.131456|4.043851|2.692788|0.075569|3.076995|2.151690|2.312205|2.036517|3.690320|1.766750|1.614972|1.727630|2.657752|2.424183|2.288082|2.333875|2.543838|2.733097|5.614283|0.172758|0.210598|0.212802|0.302437|0.500000| |4.120908|5.551419|7.436463|0.153559|9.395007|10.891361|26.105411|9.014934|6.045684|5.924001|0.121926|3.431861|2.835257|2.883881|3.685843|14.962468|7.027736|4.959306|4.030292|3.973660|4.827330|6.813094|4.057810|0.107654|4.274726|2.963995|3.087636|2.682129|4.794731|2.233791|2.000023|2.097667|4.348264|3.694972|3.461072|3.688396|4.353750|4.845076|9.424156|0.101630|0.116155|0.098405|0.131988|0.169044|0.500000| |3.096293|4.106900|4.612777|0.110175|7.039096|12.508561|12.495242|17.597074|8.816806|9.113307|0.167258|4.493122|3.788466|4.343445|6.698645|7.238052|3.646294|3.181894|2.786253|2.704665|2.971676|3.474819|2.700256|0.071068|3.118650|2.257696|2.303309|2.023632|3.582689|1.769397|1.624362|1.659700|3.009335|2.738153|2.806223|3.205623|3.665635|3.526055|9.229213|0.079605|0.081199|0.079219|0.116538|0.121601|0.186834|0.500000| |2.876260|3.639286|4.247983|0.100790|5.780191|8.938134|12.677484|17.576902|8.819762|9.640013|0.216614|4.642956|3.863499|4.084497|5.797907|7.528357|4.012654|3.357960|3.024977|3.090061|3.573126|4.175245|3.353327|0.087291|3.735612|2.644657|2.614087|2.395897|4.266211|2.045099|1.872481|1.876040|4.000497|3.619394|3.783979|4.509215|5.333174|4.907503|13.145631|0.073519|0.078896|0.072902|0.096560|0.109633|0.233844|0.301394|0.500000| |2.738012|3.341797|4.301357|0.112453|5.831838|9.766753|9.900416|8.844446|17.650292|12.473434|0.227940|7.105926|4.670878|4.269824|5.555199|7.451866|4.508817|4.189617|3.936185|3.919700|4.169296|4.483131|3.648524|0.088559|4.214848|3.228527|3.294590|2.573718|4.356854|2.230001|1.974322|2.059073|4.174451|3.423411|3.391943|4.061076|5.525614|5.709483|15.396663|0.073724|0.074871|0.067609|0.089749|0.091692|0.171145|0.173740|0.207710|0.500000| |2.826819|3.548514|4.409439|0.117909|6.555040|13.657502|9.292004|8.815244|17.668766|12.382108|0.182093|6.967345|4.776219|4.849764|6.862194|6.835558|3.811878|3.655851|3.295032|3.098541|3.189216|3.517392|2.793760|0.070531|3.325671|2.540683|2.656277|2.100329|3.595537|1.863756|1.675802|1.757821|3.046882|2.639089|2.643339|3.060139|3.746675|3.754280|10.088035|0.076930|0.074371|0.070549|0.101104|0.095400|0.144419|0.216412|0.173556|0.300508|0.500000| |2.012899|2.327544|2.750323|0.074768|3.344657|6.055495|5.100613|4.547672|6.769620|12.270758|0.232272|17.658271|8.624867|5.638467|5.733664|4.789639|2.889365|2.847345|2.880369|2.953104|2.993967|2.956883|2.854140|0.069814|3.585911|2.845502|2.767280|2.265982|3.788207|2.053735|1.852792|1.874768|3.307238|2.899460|3.037586|3.776595|4.825053|4.356939|15.814832|0.055044|0.055089|0.051249|0.064072|0.064077|0.095247|0.110595|0.122718|0.207315|0.165619|0.500000| |2.091959|2.450021|2.867576|0.079165|3.594423|7.007664|5.162401|4.648163|7.209212|12.396863|0.183091|17.612157|8.754888|6.772044|6.981271|4.746100|2.767758|2.767101|2.702353|2.638177|2.635315|2.695314|2.434630|0.060924|3.049603|2.400045|2.429327|1.952306|3.296286|1.782580|1.616519|1.665458|2.699392|2.395617|2.469975|2.931116|3.535720|3.347947|10.278492|0.057720|0.056041|0.053448|0.069413|0.066500|0.091980|0.121043|0.115435|0.183599|0.218399|0.299416|0.500000| |1.718211|1.968627|2.206694|0.059076|2.631085|4.793512|4.020008|3.673892|4.536343|9.354076|0.202531|8.869887|17.569387|8.738788|6.304347|3.838515|2.227990|2.147282|2.140791|2.208872|2.293338|2.301034|2.279118|0.057824|2.890091|2.208548|2.104204|1.907988|3.267853|1.753186|1.636177|1.594493|2.666061|2.518307|2.788513|3.496325|3.912743|3.271051|12.097785|0.046520|0.046916|0.044749|0.054778|0.055388|0.076421|0.097072|0.105235|0.120315|0.113336|0.217387|0.173580|0.500000| |1.675891|1.910825|2.137556|0.058411|2.540223|4.791315|3.706812|3.283743|4.167393|7.826920|0.144714|8.795578|17.621229|8.665990|5.702951|3.636063|2.105445|2.081297|2.072501|2.084817|2.106297|2.114934|2.042641|0.051920|2.622712|2.039807|1.994142|1.730403|2.943637|1.610439|1.495099|1.490561|2.298305|2.138861|2.286882|2.732483|3.079223|2.757223|8.873394|0.045962|0.045303|0.043690|0.053965|0.052878|0.069280|0.089017|0.088880|0.109188|0.113956|0.195137|0.216016|0.302905|0.500000| |1.736565|2.013042|2.181705|0.057757|2.636631|4.930407|3.974208|3.733999|4.191163|8.223045|0.162431|5.778233|8.715135|17.621809|8.727305|3.696681|2.061733|1.959911|1.893799|1.912057|2.004080|2.083141|1.965579|0.051154|2.456508|1.835903|1.786476|1.645116|2.870088|1.507620|1.421249|1.391809|2.247760|2.161390|2.376853|2.854049|3.053215|2.641535|8.562907|0.046665|0.046747|0.045883|0.057171|0.057297|0.074149|0.108346|0.105261|0.101200|0.109358|0.127997|0.137652|0.223588|0.189307|0.500000| |1.797518|2.089809|2.277750|0.061408|2.781014|5.427905|4.015488|3.696133|4.396557|8.151848|0.140593|6.376105|8.741207|17.613052|8.818436|3.761042|2.094970|2.032243|1.952849|1.928076|1.979591|2.062480|1.894411|0.049087|2.379612|1.805953|1.795335|1.581503|2.736323|1.456906|1.360556|1.362134|2.110972|1.984727|2.116832|2.483144|2.736057|2.476972|7.564912|0.048904|0.047817|0.047349|0.060364|0.058338|0.073103|0.108972|0.097335|0.104079|0.125169|0.131787|0.175490|0.175692|0.222118|0.303573|0.500000| |2.290475|2.793089|3.094545|0.081431|4.111527|8.355539|6.022756|6.186293|7.362441|12.383056|0.182881|6.661389|6.045993|8.685660|17.638758|4.933888|2.670137|2.526703|2.338908|2.272103|2.372941|2.571320|2.207307|0.057223|2.684295|2.012728|2.035487|1.757431|3.057521|1.584773|1.463781|1.486625|2.457203|2.262090|2.371804|2.776118|3.154538|2.920755|8.645191|0.061571|0.060130|0.059644|0.081600|0.078305|0.102639|0.201242|0.146841|0.147180|0.219269|0.137679|0.189676|0.135162|0.137730|0.179271|0.228159|0.500000| |2.178343|2.634621|2.873424|0.073504|3.699792|6.860332|5.909112|6.425108|6.425215|12.246942|0.232967|5.806403|5.869312|8.604639|17.653758|4.792516|2.592512|2.378934|2.222420|2.226200|2.396013|2.597657|2.302210|0.060170|2.769989|2.032260|2.002799|1.830764|3.224992|1.636886|1.528398|1.513979|2.653313|2.512846|2.731198|3.285536|3.612350|3.157537|10.002454|0.057468|0.058237|0.057135|0.074826|0.076505|0.105800|0.203979|0.180650|0.136981|0.155924|0.129586|0.141011|0.149341|0.125968|0.222527|0.182422|0.301500|0.500000| |4.571286|4.714347|6.759701|0.247559|5.191828|8.051276|5.948417|3.433514|3.455763|3.734080|0.072832|2.581118|2.144819|2.076243|2.387888|12.460992|8.850990|17.754473|8.954624|5.618764|4.933904|5.644754|3.538750|0.091511|4.240538|3.247253|4.093353|2.612054|4.395802|2.292403|1.963635|2.331983|3.110375|2.575955|2.296862|2.342907|2.726351|3.235820|5.996695|0.139395|0.130444|0.100995|0.115745|0.110253|0.121988|0.085444|0.085712|0.105889|0.099454|0.074230|0.074850|0.056736|0.056065|0.052722|0.055564|0.069180|0.063656|0.500000| |2.932762|2.995902|3.805491|0.118226|3.460251|5.624030|4.469461|2.833892|3.023439|3.460873|0.068895|2.519604|2.101987|1.956530|2.167564|7.454597|5.675138|8.986706|17.702696|8.923805|5.663807|4.993154|4.067997|0.099535|5.363100|4.583101|7.015021|3.165059|5.018920|2.845410|2.324740|2.961458|3.378875|2.725548|2.379825|2.405509|2.823395|3.464965|6.110750|0.086042|0.085482|0.069907|0.076337|0.075825|0.093281|0.069788|0.073910|0.097023|0.084467|0.075663|0.072092|0.056501|0.055727|0.049906|0.052049|0.061064|0.057234|0.217748|0.500000| |3.640723|4.066718|5.043859|0.119557|4.671200|6.465251|7.614290|4.334792|3.773559|4.212815|0.090017|2.694399|2.294627|2.235463|2.631082|13.441020|8.995875|5.667605|4.993469|5.638025|8.886599|17.703329|7.116716|0.204393|6.338806|3.955670|4.086475|3.856610|7.070967|2.972574|2.584837|2.777247|6.397665|5.057470|4.075782|3.860113|4.399973|5.676802|8.352551|0.091704|0.113910|0.087160|0.094397|0.118784|0.211534|0.100477|0.125853|0.117614|0.093535|0.078824|0.071699|0.063751|0.057611|0.058706|0.057083|0.071515|0.074517|0.124302|0.108194|0.500000| |2.057085|2.195431|2.623080|0.072227|2.679076|4.341427|3.987164|2.807713|3.050283|3.839509|0.082631|2.857401|2.436795|2.152125|2.308676|5.274757|3.684424|3.763278|4.721706|6.688982|6.235170|4.412791|7.044381|0.142611|12.470252|17.526165|8.845560|5.957937|8.107427|5.097651|3.803014|4.257382|6.452822|4.760760|3.940020|3.911942|4.730160|6.394090|9.154606|0.056499|0.060168|0.051447|0.056541|0.060123|0.086187|0.067313|0.080083|0.102118|0.077561|0.092648|0.075129|0.069657|0.063606|0.056155|0.055018|0.060995|0.061767|0.088210|0.119683|0.108346|0.500000| |1.885404|1.955223|2.274051|0.063279|2.251004|3.678798|3.260726|2.271615|2.407179|3.056756|0.065036|2.276347|2.002194|1.800432|1.908561|4.568663|3.124967|3.259404|4.111177|5.550393|4.936928|3.630563|5.631088|0.128764|12.416325|17.712244|8.886435|7.179177|8.800752|7.515015|4.817120|6.408526|4.640694|3.870857|3.214495|3.049113|3.400165|4.199297|6.726593|0.052147|0.055595|0.047554|0.050383|0.053395|0.070550|0.055911|0.064436|0.077292|0.062690|0.071540|0.060843|0.057041|0.053090|0.047453|0.046688|0.050983|0.051436|0.078396|0.109705|0.090522|0.304622|0.500000| |2.257700|2.280818|2.698539|0.077062|2.535652|4.091684|3.534252|2.343520|2.442361|2.967658|0.061577|2.168736|1.877646|1.728117|1.870122|5.546201|3.996295|4.524456|6.474448|8.926386|6.156245|4.422047|5.459292|0.131309|9.310539|8.885113|17.537224|5.299881|7.476375|4.896489|3.523916|5.478891|3.998308|3.253783|2.697256|2.582626|2.920304|3.663575|5.934399|0.063500|0.067616|0.055895|0.057908|0.060882|0.076814|0.057840|0.064639|0.077995|0.065154|0.066433|0.059564|0.052198|0.049774|0.045123|0.045368|0.051119|0.050336|0.106226|0.177564|0.102633|0.174240|0.219738|0.500000| |2.213552|2.300620|2.785980|0.080667|2.722301|4.472639|3.788052|2.563035|2.797714|3.396047|0.069764|2.554056|2.161097|1.944537|2.092947|5.511787|3.975901|4.691083|7.024425|8.878559|5.710470|4.236632|4.876000|0.110957|7.687284|8.876906|17.542543|4.239448|6.134684|3.959903|3.014289|3.997453|4.008150|3.173941|2.725742|2.730618|3.216439|4.042105|6.767364|0.062685|0.064638|0.054665|0.059366|0.060926|0.080113|0.062667|0.069753|0.091793|0.075069|0.080082|0.070661|0.059672|0.057563|0.050116|0.051012|0.057149|0.055309|0.111416|0.208237|0.097460|0.218514|0.210366|0.303270|0.500000| |1.673644|1.721239|1.943336|0.053356|1.921089|3.148014|2.802303|1.975396|2.043010|2.652242|0.057066|1.954875|1.772194|1.613318|1.694607|3.895173|2.553558|2.563714|3.013816|3.795827|3.753531|2.976440|4.651696|0.118480|9.691051|7.085836|4.875914|8.852144|10.663639|17.585764|8.958879|8.866829|4.067895|3.826412|3.205985|2.893737|3.008500|3.490110|5.862713|0.045867|0.049523|0.042849|0.044441|0.047678|0.061019|0.049347|0.056972|0.063799|0.053016|0.060403|0.051795|0.051126|0.047035|0.043208|0.041826|0.045022|0.046320|0.063021|0.080017|0.078334|0.163220|0.270472|0.136341|0.119144|0.500000| |1.586666|1.604630|1.751439|0.047328|1.702826|2.773076|2.487121|1.741150|1.729937|2.249249|0.048552|1.613056|1.492568|1.398834|1.477928|3.540475|2.226323|2.149371|2.373440|2.833505|3.013430|2.593149|3.749396|0.111010|6.283981|3.787938|3.149840|6.883420|13.095242|8.785180|17.615971|6.859637|3.336443|3.523863|2.974993|2.534147|2.474057|2.750159|4.792392|0.042897|0.047531|0.041252|0.041197|0.045191|0.054932|0.044220|0.050801|0.052455|0.044917|0.048433|0.042737|0.043088|0.039422|0.038003|0.036370|0.039386|0.041206|0.053634|0.062081|0.071975|0.092885|0.112798|0.091677|0.076817|0.174265|0.500000| |1.458416|1.481104|1.624230|0.044356|1.595787|2.631446|2.315080|1.640487|1.662558|2.185284|0.046997|1.597066|1.484202|1.375263|1.434299|3.225327|2.034503|2.010644|2.254384|2.665893|2.718315|2.320447|3.263883|0.090903|5.647451|3.785272|3.098333|5.529090|8.914962|8.853584|17.557429|6.896458|2.987532|3.064587|2.687057|2.375903|2.349142|2.579604|4.646627|0.039794|0.043196|0.037921|0.038401|0.041382|0.050369|0.041757|0.047536|0.050531|0.043409|0.048283|0.042390|0.042923|0.039555|0.037308|0.035859|0.038185|0.039645|0.050615|0.060248|0.063209|0.094250|0.121260|0.089785|0.078136|0.216979|0.300526|0.500000| |1.543138|1.587800|1.748295|0.047135|1.736779|2.841426|2.569136|1.833370|1.845209|2.437197|0.053183|1.762473|1.637793|1.515525|1.588101|3.500414|2.206484|2.127352|2.358857|2.844718|3.036870|2.586890|3.892708|0.109019|6.652359|4.119990|3.202259|6.932958|11.912110|8.764582|17.572904|5.475474|3.729168|4.052437|3.493762|2.953208|2.836798|3.096671|5.428654|0.041695|0.045741|0.040061|0.041021|0.044798|0.056414|0.046314|0.053973|0.056293|0.047470|0.053521|0.046172|0.047842|0.043200|0.041279|0.039128|0.041877|0.044191|0.052941|0.061631|0.071877|0.105987|0.124623|0.088846|0.079441|0.213294|0.302308|0.301298|0.500000| |1.775350|1.761483|1.945774|0.053528|1.841314|2.988264|2.626678|1.791223|1.791712|2.272234|0.048193|1.636068|1.485917|1.392918|1.484445|3.976514|2.574256|2.575720|2.951527|3.551197|3.545122|2.947004|4.074890|0.118609|7.174547|4.545851|4.141913|6.960159|10.931785|8.787519|6.826460|17.565064|3.243498|3.097481|2.568205|2.286565|2.353113|2.728929|4.650161|0.048676|0.053722|0.045615|0.044906|0.048710|0.057927|0.045348|0.051117|0.054801|0.047195|0.049118|0.044077|0.042188|0.039412|0.037354|0.036510|0.040108|0.040965|0.063937|0.078285|0.078073|0.101949|0.137228|0.134514|0.097517|0.173523|0.203305|0.168280|0.139879|0.500000| |1.843956|1.844205|2.082369|0.058139|1.980104|3.227277|2.804521|1.910864|1.953780|2.462098|0.051878|1.797903|1.611343|1.491730|1.587499|4.228835|2.822082|2.938525|3.567464|4.425692|4.050718|3.195637|4.437589|0.118307|8.513500|6.335284|5.923032|6.832807|9.187459|8.680002|5.464430|17.564802|3.450583|3.104136|2.581564|2.370221|2.523405|2.995470|5.043383|0.051152|0.055331|0.046871|0.047181|0.050332|0.061241|0.048004|0.053937|0.060676|0.051705|0.054605|0.048705|0.045527|0.042900|0.039641|0.039140|0.042977|0.043305|0.072308|0.096831|0.081231|0.130756|0.209278|0.211582|0.136891|0.211009|0.139525|0.141136|0.122090|0.301543|0.500000| |1.591094|1.591684|1.762279|0.048935|1.695598|2.793008|2.409499|1.671366|1.704739|2.192057|0.046387|1.608243|1.468982|1.362308|1.432124|3.517092|2.267940|2.320267|2.693698|3.186777|3.051980|2.539472|3.435945|0.094225|6.176576|4.450161|3.942659|5.522384|8.123964|8.805630|6.950158|17.571048|2.898121|2.760207|2.368693|2.158970|2.230646|2.540977|4.487125|0.043984|0.047395|0.041006|0.041096|0.043785|0.052289|0.042453|0.047516|0.052191|0.045117|0.048596|0.043382|0.041802|0.039313|0.036520|0.035800|0.038616|0.039229|0.058378|0.073614|0.066720|0.102128|0.149558|0.125581|0.098256|0.212557|0.172035|0.209063|0.141287|0.301473|0.301972|0.500000| |2.061341|2.199163|2.457503|0.063230|2.482730|3.891558|3.926608|2.773370|2.637320|3.397765|0.076803|2.301393|2.089391|1.971462|2.163268|5.151298|3.221899|2.815642|2.946305|3.632881|4.650628|4.196948|7.060342|0.220053|8.023946|4.260763|3.471233|6.159805|13.590543|4.339019|4.135159|3.427158|8.926778|17.755734|8.929297|5.636654|5.018548|5.660209|8.312805|0.053914|0.061784|0.052915|0.055507|0.064100|0.091241|0.067778|0.086188|0.081086|0.064857|0.069414|0.058866|0.061310|0.053029|0.053722|0.049689|0.056217|0.061827|0.067666|0.071811|0.130225|0.118289|0.104838|0.089281|0.083147|0.110773|0.114274|0.093534|0.128018|0.095047|0.090564|0.081903|0.500000| |1.824549|1.990007|2.184019|0.055986|2.310535|3.713096|3.720716|2.825554|2.688989|3.686426|0.086657|2.472444|2.333753|2.210369|2.386425|4.346710|2.595415|2.300509|2.349124|2.725659|3.252284|3.132061|4.087406|0.113751|4.948438|3.098431|2.619078|3.623455|7.026230|3.009968|3.009622|2.476415|5.626571|8.933952|17.731470|8.936179|5.715818|4.956557|9.583010|0.047660|0.053263|0.047553|0.051446|0.058628|0.083487|0.070208|0.091436|0.080121|0.065001|0.073832|0.061428|0.070808|0.058424|0.061837|0.054664|0.060208|0.069715|0.057023|0.058692|0.096547|0.091965|0.079021|0.066773|0.066529|0.082128|0.081333|0.072930|0.095588|0.067488|0.066185|0.062366|0.215773|0.500000| 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