Version2.0 2020-02-02T14:36:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc4ccccc4c3)Oc5ccccc5Cl C39666396 RHF 6-31G(d) (6D,7F) C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc4ccccc4c3)Oc5ccccc5Cl C01[X(C29H33Cl1N3O3)] 201 C1 610 C[C@@H](Oc1ccccc1Cl)CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc2c(c1)cccc2 C[C@@H](Oc1ccccc1Cl)CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc2c(c1)cccc2 C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc4ccccc4c3)Oc5ccccc5Cl InChIKey=RIWVEJWKTCPJSA-HYBUGGRVSA-O InChI=1S/C29H32ClN3O3/c1-20(36-26-9-5-4-8-25(26)30)17-32-27(34)24-18-33(19-29(24)12-14-31-15-13-29)28(35)23-11-10-21-6-2-3-7-22(21)16-23/h2-11,16,20,24,31H,12-15,17-19H2,1H3,(H,32,34)/p+1/t20-,24-/m1/s1 InChI=1/C29H32ClN3O3/c1-20(36-26-9-5-4-8-25(26)30)17-32-27(34)24-18-33(19-29(24)12-14-31-15-13-29)28(35)23-11-10-21-6-2-3-7-22(21)16-23/h2-11,16,20,24,31H,12-15,17-19H2,1H3,(H,32,34)/p+1/t20-,24-/m1/s1/fC29H33ClN3O3/h31-32H/q+1 C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc4ccccc4c3)Oc5ccccc5Cl C01[X(C29H33Cl1N3O3)] 201 C01 610 C[C@@H](Oc1ccccc1Cl)CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc2c(c1)cccc2 C[C@@H](Oc1ccccc1Cl)CNC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)[C@H]1C=C[C@@H]2[C@@H](C1)C=CC=C2 C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2]CC2)C(=O)[C@@H]3C[C@H]4C=CC=C[C@@H]4C=C3)Oc5ccccc5Cl InChIKey=ROUGERVWLQFTRM-ZSXJVMONSA-N InChI=1S/C29H37ClN3O3/c1-20(36-26-9-5-4-8-25(26)30)17-32-27(34)24-18-33(19-29(24)12-14-31-15-13-29)28(35)23-11-10-21-6-2-3-7-22(21)16-23/h2-11,20-24H,12-19,31H2,1H3,(H,32,34)/t20-,21-,22-,23+,24-/m1/s1 InChI=1/C29H37ClN3O3/c1-20(36-26-9-5-4-8-25(26)30)17-32-27(34)24-18-33(19-29(24)12-14-31-15-13-29)28(35)23-11-10-21-6-2-3-7-22(21)16-23/h2-11,20-24H,12-19,31H2,1H3,(H,32,34)/t20-,21-,22-,23+,24-/m1/s1/f/h32H 4122.8024137500 -1964.6609621 1-A 22615.8086 134 476 610 |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| -104.92410 -20.68673 -20.62525 -20.60378 -15.86440 -15.68640 -15.67643 -11.45296 -11.45044 -11.45040 -11.43009 -11.41690 -11.39703 -11.38631 -11.38588 -11.38333 -11.37527 -11.37390 -11.35936 -11.35856 -11.35547 -11.35496 -11.34841 -11.34095 -11.34065 -11.32238 -11.32078 -11.31685 -11.31572 -11.30866 -11.30657 -11.30587 -11.30426 -11.30354 -11.30227 -11.30139 -10.65700 -8.12642 -8.12308 -8.12302 -1.52157 -1.49950 -1.49461 -1.47589 -1.35862 -1.33813 -1.28777 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-0.08641 0.99624 1 0.00947 0.00238 0.00232 0.19722 0.04953 0.04833 8.42 16.26 27.98 37.57 45.56 48.35 59.05 82.17 85.35 109.38 142.67 150.58 181.74 193.39 225.14 244.14 262.51 283.73 294.61 306.33 328.81 343.27 354.49 379.44 390.19 398.68 419.86 447.39 468.93 472.69 495.68 541.53 573.78 584.34 603.27 616.01 628.06 665.56 671.83 702.68 726.45 728.73 770.47 777.65 779.96 794.66 804.04 827.15 847.66 871.60 874.50 927.62 949.81 989.56 1018.04 1055.56 1077.70 1105.64 1165.85 1184.75 1188.53 1207.09 1223.98 1224.79 1232.22 1245.87 1248.58 1255.06 1265.79 1292.66 1334.48 1345.11 1354.21 1358.64 1374.88 1383.09 1408.70 1410.57 1438.09 1450.63 1481.25 1492.92 1504.10 1517.44 1527.01 1548.77 1561.08 1574.32 1577.38 1581.18 1595.78 1603.71 1604.72 1628.29 1632.62 1639.21 1641.22 1670.69 1682.65 1694.44 1717.65 1731.56 1741.71 1753.94 1781.71 1786.66 1789.44 1810.00 1831.57 1844.31 1846.59 1855.80 1878.82 1902.43 1903.82 1927.37 1937.55 1956.08 1977.10 1985.07 1999.59 2007.79 2009.63 2039.52 2048.64 2073.09 2086.64 2093.33 2115.07 2120.79 2130.65 2145.71 2159.07 2170.62 2181.83 2207.55 2216.81 2223.55 2235.62 2239.86 2249.37 2257.43 2263.01 2267.04 2276.65 2299.45 2314.39 2334.24 2346.65 2349.72 2358.45 2360.29 2362.79 2368.30 2386.27 2391.94 2406.49 2413.82 2417.82 2484.88 2546.61 2558.30 2576.48 2600.88 2630.89 2651.70 2767.58 2774.29 4619.59 4633.03 4649.93 4675.87 4687.28 4695.88 4699.18 4707.08 4716.96 4719.26 4731.00 4733.84 4744.23 4753.45 4757.40 4777.50 4789.31 4804.10 4808.82 4830.03 4841.07 4848.48 4849.42 4851.63 4863.80 4868.81 4883.04 4884.53 4897.45 4906.86 5270.08 5365.52 5606.55 0.627221 0.657364 0.658308 0.560539 -1964.033741 -1964.003598 -1964.002654 -1964.100423 3.279188D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc4ccccc4c3)Oc5ccccc5Cl C39666396 RHF 6-31G(d) (6D,10F) C1 506.221045 |X|Y|Z| 54.238141 49.538625 131.224333 70.646021 32 6 7 8 28 3 1 |36.858105| |12.536530|36.858105| |8.833080|17.605020|0.500000| |7.545095|12.484441|0.248241|36.858105| |4.996779|7.711052|0.194049|13.151202|53.358707| |4.127103|5.915954|0.175862|7.770636|19.322521|36.858105| |4.146982|5.654836|0.184441|6.812220|11.566577|15.789257|73.516695| |3.183430|4.221728|0.123233|5.009506|10.691524|12.494118|14.183523|36.858105| |3.127417|4.126761|0.115019|4.875795|10.513186|8.903802|10.457648|17.581378|0.500000| |2.679923|3.327441|0.095885|4.004594|7.486372|7.528275|11.108318|12.338953|0.243972|36.858105| |2.431543|2.950631|0.087899|3.350286|5.774132|5.792046|10.049502|8.007885|0.164018|13.076569|53.358707| |2.573827|3.172650|0.098216|3.420285|5.819012|6.019101|11.015639|7.913333|0.158954|7.894520|17.894310|36.858105| |2.862057|3.686455|0.113137|3.928569|7.172129|7.435699|11.435219|12.246808|0.242607|7.810401|11.033260|12.355270|36.858105| |3.202901|4.212156|0.136855|4.076531|6.938342|6.592686|10.995944|7.362169|0.173652|4.994225|6.968195|7.411000|12.386639|36.858105| |2.679507|3.298435|0.105370|3.113438|4.940459|4.337594|7.631430|4.827075|0.121626|3.827838|5.694339|5.940620|7.446519|12.520507|36.858105| |2.340595|2.826098|0.086159|2.728428|4.370482|3.682478|6.175222|4.384921|0.118265|3.608364|5.266802|5.030778|6.444632|7.705284|12.648075|53.358707| |2.132405|2.511843|0.076309|2.406639|3.751242|3.105027|5.320716|3.575325|0.096617|3.076683|4.545320|4.208638|4.895252|5.680922|9.154251|25.690261|0.500000| |2.424883|2.942400|0.088284|2.807827|4.500297|3.652633|5.953747|4.299775|0.121979|3.440847|4.771801|4.325889|5.814056|7.107328|9.226426|25.660102|0.327966|0.500000| |2.179259|2.623547|0.078475|2.650888|4.361978|3.751983|6.172131|4.883584|0.131562|4.264282|6.417859|5.938576|7.403570|6.490521|7.606703|17.217008|0.254583|0.255034|36.858105| |2.432689|3.016580|0.089148|3.172468|5.558944|4.952371|7.606749|7.597028|0.207175|6.139668|8.510043|7.475155|12.319008|7.594595|6.501734|10.470127|0.157693|0.195981|12.503804|36.858105| |2.089537|2.451441|0.072055|2.754376|4.518958|4.154952|7.353160|5.207600|0.120908|7.862122|18.978968|7.533914|5.297158|3.823085|3.391191|4.444316|0.081372|0.082335|4.015744|4.827451|36.858105| |1.975249|2.291120|0.065975|2.610422|4.256679|3.732388|6.405146|4.612935|0.113737|7.124868|11.636679|5.324009|4.344431|3.248650|2.886824|3.880490|0.071667|0.073720|3.476597|4.192265|15.863408|73.516695| |1.900765|2.187296|0.065037|2.380907|3.755472|3.372466|6.229489|3.949285|0.094065|5.010783|10.507018|6.324370|4.352839|3.431512|3.253484|4.240593|0.080206|0.076934|3.749657|4.052389|12.712768|14.401378|36.858105| |1.674824|1.900008|0.055875|2.047137|3.185764|2.752447|4.976470|3.209196|0.080092|3.914991|7.105760|4.539491|3.514979|2.873826|2.820670|3.833318|0.074293|0.070111|3.415751|3.528018|7.633359|11.781854|13.405291|36.858105| |1.544913|1.729261|0.050998|1.834582|2.795616|2.378758|4.361151|2.682842|0.067653|3.113363|5.389764|3.716952|2.962905|2.546535|2.573877|3.484001|0.069171|0.063679|2.995518|2.963983|5.079465|8.075593|7.909291|14.049262|36.858105| |1.567842|1.744649|0.051970|1.832106|2.752083|2.350989|4.421858|2.572185|0.064124|2.904901|5.035372|3.654981|2.866982|2.545272|2.600809|3.412090|0.068245|0.062030|2.824824|2.763722|4.430206|6.801810|6.793458|7.880685|13.400124|36.858105| |1.431716|1.572335|0.046727|1.632829|2.414402|2.024693|3.807274|2.175013|0.055034|2.392599|3.963879|2.932558|2.406307|2.206207|2.289360|3.015781|0.061352|0.055311|2.431410|2.339100|3.330830|5.315299|4.510659|5.118310|7.661728|13.421010|36.858105| |1.428706|1.556355|0.046487|1.601831|2.337114|1.952384|3.722191|2.051083|0.051798|2.213918|3.615433|2.734661|2.264079|2.129260|2.218833|2.866994|0.058574|0.052742|2.247780|2.160228|2.925277|4.655577|3.781989|3.943698|5.118271|7.893728|14.019717|36.858105| |1.559668|1.700618|0.051295|1.745731|2.533488|2.137620|4.162466|2.206658|0.054979|2.364085|3.894763|3.004432|2.441342|2.321598|2.402396|3.014574|0.061093|0.055286|2.327385|2.259473|3.071785|4.781857|3.940151|3.782730|4.514068|6.806075|7.907436|13.447827|36.858105| |1.734166|1.916406|0.058219|1.985549|2.914131|2.514423|4.970254|2.603083|0.063561|2.826646|4.836194|3.752856|2.901294|2.708523|2.754043|3.390979|0.067566|0.061669|2.646579|2.614025|3.817468|5.713557|5.113615|4.513069|5.100741|7.807163|6.830503|7.917783|14.026049|36.858105| |1.745244|1.954747|0.058940|2.055952|3.088236|2.696001|5.217219|2.900247|0.070464|3.270486|5.883926|4.387841|3.255288|2.894767|2.912091|3.671109|0.072370|0.066315|2.989837|2.982230|4.994062|7.212879|7.866617|6.800860|7.815576|13.524196|7.819617|6.819133|7.893959|13.412711|36.858105| |1.947694|2.224589|0.067230|2.384957|3.671780|3.316103|6.444179|3.651735|0.085883|4.314326|8.595751|6.102749|4.095903|3.440761|3.312851|4.122544|0.078861|0.074275|3.446244|3.607806|7.590817|9.686894|13.982645|7.909290|6.845979|7.821159|5.107400|4.522289|5.124629|7.676489|13.423824|36.858105| |7.883867|13.351934|0.257680|8.069574|9.380670|5.224708|8.172698|4.162601|0.120658|3.194030|3.823147|3.033850|3.702244|4.307458|3.412166|4.115764|0.074204|0.090656|2.762500|3.172597|2.344637|3.924295|2.087711|1.840181|1.673060|1.670124|1.508578|1.483058|1.601327|1.790636|1.844211|2.087964|73.516695| |5.675796|7.879773|0.210811|5.444128|7.246537|4.615331|7.397594|3.973734|0.114936|3.022879|3.738788|3.072969|3.833810|4.820321|3.942974|4.725095|0.085084|0.106889|3.018313|3.354770|2.296363|3.800609|2.076745|1.841778|1.684871|1.685755|1.528184|1.503883|1.620742|1.804828|1.855176|2.083214|25.327287|36.858105| |5.307612|6.466099|0.201701|4.441169|5.747262|3.969996|6.857237|3.441159|0.095299|2.712297|3.494259|2.941203|3.516446|4.621827|4.058756|4.664978|0.086191|0.103071|2.881511|3.058346|2.170302|3.552623|2.012076|1.786803|1.656637|1.680422|1.536244|1.527923|1.658099|1.837106|1.858134|2.057649|14.054305|13.688686|36.858105| |3.847212|4.423195|0.136228|3.412916|4.624195|3.328511|5.776841|3.071334|0.085385|2.472844|3.263585|2.781820|3.301251|4.393323|4.273135|5.015691|0.095243|0.112607|2.961717|2.994987|2.056100|3.357594|1.938075|1.742850|1.630508|1.655579|1.524768|1.517953|1.637601|1.797192|1.814325|1.981954|9.254692|7.893524|13.755612|36.858105| |3.230442|3.750059|0.110574|3.087449|4.365595|3.141065|5.276265|3.054509|0.087463|2.457514|3.227976|2.734338|3.327786|4.331113|4.365249|5.559171|0.105933|0.132602|3.210184|3.188150|2.045145|3.360797|1.920248|1.746927|1.629459|1.635026|1.504653|1.483997|1.581806|1.729502|1.768779|1.931568|8.184009|6.797278|7.914622|13.753602|36.858105| |3.307120|3.973395|0.111983|3.369173|4.920285|3.430250|5.506438|3.406839|0.101858|2.679449|3.415687|2.838183|3.592729|4.496858|4.228871|5.673679|0.104122|0.141563|3.405880|3.529750|2.148307|3.566120|1.975236|1.797456|1.655722|1.639366|1.496640|1.461526|1.548773|1.701829|1.765505|1.951705|9.362247|7.870111|6.885409|7.972801|13.746733|36.858105| |4.103631|5.267142|0.141111|4.353248|6.367237|4.160302|6.435547|3.949481|0.120585|3.000466|3.692619|3.017274|3.891403|4.767266|4.037378|5.200475|0.092901|0.124438|3.296858|3.648965|2.284617|3.810043|2.057907|1.849184|1.685930|1.666193|1.509699|1.472458|1.568315|1.738369|1.808923|2.027807|14.464055|13.647989|7.969261|6.910070|7.934749|13.769462|36.858105| |3.612158|4.534324|0.114418|4.305004|6.671363|4.122531|6.050881|4.119720|0.137170|3.176127|3.734844|2.904223|3.757592|4.075718|3.402301|4.644189|0.082772|0.110157|3.184198|3.703860|2.331152|3.985396|2.050888|1.858348|1.674521|1.627473|1.467587|1.416171|1.493509|1.655152|1.747927|1.973603|11.638711|6.998143|4.759390|4.234845|4.769406|7.061167|10.936793|448.794386| |17.583763|8.806812|0.211335|5.487689|5.609642|3.576484|6.447296|2.874169|0.078606|2.425968|3.057200|2.414242|2.681412|3.077867|2.653677|3.150351|0.059166|0.066856|2.116394|2.311795|1.945001|3.256039|1.794173|1.592367|1.480796|1.508940|1.387625|1.390800|1.517306|1.674748|1.673922|1.847372|12.512835|5.825151|6.036285|4.311844|3.478844|3.437219|4.139122|27.747584|0.500000| |17.561555|8.848407|0.211162|6.867030|6.259103|3.977525|7.465096|3.041620|0.081170|2.636229|3.292984|2.540855|2.736949|3.008315|2.537621|2.999057|0.056066|0.062455|2.073401|2.306804|2.094479|3.516428|1.916661|1.681785|1.556452|1.590312|1.454173|1.458824|1.602878|1.784693|1.781472|1.984277|10.093427|4.452512|4.356851|3.337742|2.824150|2.848081|3.406427|24.606674|0.301369|0.500000| |17.574185|8.855199|0.173377|6.869961|6.344608|3.726428|6.426318|2.967700|0.082965|2.537236|3.091346|2.357408|2.627486|2.862597|2.418488|2.949863|0.055016|0.062809|2.042394|2.287667|1.974002|3.363402|1.786771|1.588771|1.464016|1.475075|1.349721|1.341401|1.452942|1.607028|1.626755|1.811030|12.731657|5.059833|4.484494|3.405721|2.977731|3.128158|3.898732|29.226972|0.301956|0.300369|0.500000| |6.995989|8.874484|0.174813|17.604468|12.616413|5.804688|8.954388|4.268217|0.121349|3.574222|4.038647|2.955167|3.370181|3.422038|2.712892|3.338478|0.060698|0.070757|2.405387|2.857627|2.507898|4.320225|2.170076|1.896832|1.704348|1.690317|1.515598|1.483287|1.602291|1.804186|1.872251|2.149980|12.822306|4.842866|3.898813|3.074053|2.843594|3.151387|4.063920|34.488830|0.141992|0.173242|0.209353|0.500000| |6.816946|8.879521|0.216438|17.634209|12.524988|7.220007|13.164581|4.631504|0.119065|3.957354|4.613392|3.414569|3.700768|3.767378|2.937360|3.468464|0.063053|0.071442|2.499415|2.954578|2.813573|4.725336|2.448322|2.085813|1.874701|1.888759|1.682276|1.659413|1.824169|2.085529|2.141874|2.489302|10.250299|4.360461|3.852748|3.054415|2.739858|2.902968|3.566348|27.908672|0.139992|0.202953|0.167184|0.301594|0.500000| |4.446851|6.423320|0.156520|9.093734|26.089053|9.418975|10.877866|7.508198|0.247621|5.253789|5.402511|3.944261|5.053947|4.796931|3.503313|4.403118|0.076887|0.094767|3.259060|4.217802|3.168790|5.414018|2.622320|2.266907|1.985373|1.930879|1.699141|1.634302|1.751481|1.996506|2.132193|2.514539|12.145559|5.376280|4.062464|3.340685|3.271841|3.848821|5.113399|48.376715|0.104886|0.110602|0.120828|0.230151|0.181758|0.500000| |2.423991|2.948568|0.083227|3.498639|6.348843|5.635153|8.325315|8.724983|0.226686|17.622940|12.398772|6.050067|6.327308|4.261904|3.441866|4.664566|0.082002|0.092106|4.187901|6.045035|7.271687|13.709951|4.669042|3.899207|3.066669|2.773956|2.299850|2.101853|2.199113|2.578701|3.009230|3.842168|5.184170|2.778948|2.476576|2.289962|2.320032|2.561269|2.838130|24.991366|0.061407|0.065725|0.064852|0.090129|0.094344|0.132166|0.500000| |2.765959|3.384036|0.096132|4.261660|7.712405|7.407117|11.521098|8.677179|0.189127|17.611223|12.336388|6.060852|5.731297|4.203514|3.287429|4.149203|0.073801|0.081537|3.451249|4.581013|6.736177|11.715570|4.545072|3.582791|2.909095|2.754869|2.292620|2.143128|2.304313|2.749483|3.123259|4.065757|5.585934|2.884941|2.594640|2.331239|2.281020|2.468624|2.794686|23.770016|0.068486|0.076903|0.073104|0.106407|0.121804|0.144437|0.303661|0.500000| |2.286349|2.745761|0.084556|2.884643|4.723377|4.516602|8.273800|5.664853|0.127059|5.806201|12.408117|17.622692|8.627581|6.259085|6.022601|7.298546|0.128940|0.121738|6.663855|7.052564|7.084753|8.892961|7.074869|5.191253|4.291706|4.221856|3.321390|3.047122|3.310638|4.148277|5.024826|6.841019|4.739532|2.753195|2.686945|2.617284|2.605025|2.664754|2.746133|21.089642|0.060493|0.062688|0.058483|0.070627|0.079857|0.091051|0.138534|0.130015|0.500000| |2.764027|3.402047|0.108650|3.624014|5.935004|6.270191|13.306955|6.747327|0.137209|6.437260|12.331938|17.609712|8.828279|7.167141|5.706248|6.051534|0.106275|0.107884|4.736662|5.507478|6.080754|8.033018|5.559961|4.017877|3.446157|3.560065|2.905285|2.790911|3.173129|4.044272|4.476733|6.122676|5.569409|3.150152|3.089318|2.880520|2.743412|2.784477|2.980231|22.377591|0.071959|0.076983|0.069089|0.085058|0.103421|0.107124|0.136151|0.155682|0.301835|0.500000| |3.576504|4.765751|0.166627|4.497648|7.293588|7.177650|13.786734|6.596494|0.149214|4.717722|6.651655|6.950799|8.795153|17.631387|9.003913|7.637435|0.127077|0.144754|4.874644|5.513493|3.675898|5.533698|3.353031|2.765195|2.479365|2.533602|2.206472|2.163388|2.405379|2.829913|2.948623|3.499567|8.056992|4.932578|4.966678|4.502103|4.115704|4.097452|4.457492|29.865051|0.095166|0.094827|0.086168|0.101103|0.118801|0.131030|0.108480|0.116486|0.158696|0.221748|0.500000| |3.484904|4.727023|0.149154|4.417959|7.583877|6.442083|9.883071|6.890211|0.184717|4.519539|5.831752|5.455364|8.801363|17.537451|8.944392|9.474535|0.145315|0.209647|5.683983|6.771099|3.316484|5.211611|2.945185|2.533790|2.257730|2.236644|1.966278|1.899858|2.050463|2.348680|2.494473|2.909193|9.318287|6.237840|5.563700|5.189073|5.299690|5.884915|6.498080|42.070273|0.093355|0.087951|0.087098|0.103881|0.107860|0.152855|0.111269|0.108063|0.131320|0.145679|0.304198|0.500000| |2.466986|2.965650|0.094808|2.848595|4.449007|3.971730|7.313056|4.388750|0.107397|3.732299|5.919236|6.444396|6.656076|8.726063|17.621631|12.426508|0.223304|0.181255|6.986570|5.747501|3.602035|5.318186|3.618038|3.106258|2.870633|2.960681|2.589642|2.519025|2.756767|3.198499|3.370944|3.802911|5.278877|3.314108|3.454071|3.594325|3.574277|3.422705|3.311772|23.110856|0.067722|0.066201|0.061879|0.069174|0.076656|0.086341|0.092594|0.089749|0.200036|0.176921|0.212642|0.173313|0.500000| |2.748924|3.330031|0.107363|3.011810|4.590517|3.850005|6.862219|4.019517|0.104211|3.229142|4.670762|4.547701|5.447820|8.797857|17.632840|12.364863|0.223038|0.224470|5.583432|4.887256|2.863440|4.430376|2.776249|2.449359|2.278085|2.326050|2.091981|2.057301|2.231137|2.510614|2.587323|2.865091|6.198649|4.204259|4.608405|5.196581|5.245222|4.683352|4.255815|27.115587|0.077394|0.071741|0.068430|0.073236|0.078600|0.090459|0.081495|0.079527|0.126582|0.127393|0.213191|0.217549|0.300609|0.500000| |2.057793|2.442999|0.073693|2.477353|4.004174|3.497986|5.983624|4.415533|0.113737|4.118467|6.714256|6.403314|6.590505|5.708834|6.972412|12.442349|0.224329|0.180978|17.636527|8.720878|4.363492|6.494750|4.327646|3.954274|3.489899|3.299747|2.798213|2.559409|2.642079|3.028492|3.486087|3.996826|4.459130|2.704112|2.637266|2.704274|2.853161|2.939977|2.862983|22.003334|0.055556|0.055114|0.053372|0.062297|0.066191|0.081341|0.110668|0.093776|0.231087|0.140929|0.128030|0.131946|0.210949|0.143577|0.500000| |1.995309|2.362731|0.069445|2.387740|3.871970|3.207604|5.243984|4.078463|0.115112|3.685211|5.357242|4.547352|5.424503|4.886890|5.581046|12.354190|0.222917|0.223116|17.626186|8.775950|3.530059|5.658754|3.319351|3.163094|2.808212|2.605146|2.278975|2.095158|2.131841|2.376683|2.678584|3.010830|4.480086|2.749008|2.610423|2.712536|3.005455|3.226302|3.067754|24.441296|0.054028|0.052603|0.052555|0.061302|0.062353|0.081827|0.104784|0.084712|0.139345|0.104486|0.107615|0.128059|0.143567|0.126474|0.301527|0.500000| |2.510527|3.133024|0.090410|3.281161|5.807433|4.828076|7.102904|7.127414|0.232423|5.409278|6.736194|5.488127|8.789719|6.763443|5.663358|9.409925|0.144604|0.206524|8.933581|17.519313|3.971882|6.468747|3.344316|2.987866|2.557537|2.392004|2.065504|1.923109|2.004183|2.282156|2.554294|3.017026|6.100093|3.657690|3.215306|3.142963|3.448034|4.015249|4.187788|35.924023|0.066269|0.065046|0.066336|0.083444|0.082564|0.128931|0.154322|0.117221|0.140758|0.123317|0.138658|0.196838|0.132079|0.127402|0.173257|0.217556|0.500000| |2.230925|2.712074|0.078975|2.926037|5.079272|4.472545|6.944405|6.872094|0.188276|6.773266|9.536655|7.040763|8.736328|5.507801|4.884322|7.628381|0.127060|0.143750|8.996865|17.583087|5.743155|9.072290|4.577685|4.052507|3.273103|2.943134|2.452233|2.221497|2.292250|2.654832|3.115096|3.821408|4.992703|2.889382|2.638471|2.567691|2.708022|2.981501|3.103828|26.150343|0.058540|0.059398|0.058886|0.074433|0.076911|0.107302|0.205620|0.136067|0.190278|0.140973|0.123131|0.138511|0.128998|0.107676|0.213231|0.212354|0.304101|0.500000| |1.627108|1.845808|0.053702|2.000695|3.133376|2.666313|4.704576|3.165528|0.080899|3.912805|6.693555|4.131749|3.386171|2.738839|2.666815|3.719783|0.071878|0.069003|3.375745|3.541665|7.167165|12.848085|8.841820|17.745862|8.993878|5.607462|4.140536|3.288337|3.129312|3.598677|4.917622|5.655763|3.210275|1.802938|1.731303|1.688652|1.708194|1.776167|1.829303|15.001624|0.042897|0.045149|0.043202|0.051999|0.056158|0.062811|0.113789|0.098773|0.127125|0.099581|0.072150|0.068300|0.079654|0.064520|0.105718|0.089150|0.084575|0.117023|0.500000| |1.427645|1.586738|0.046491|1.677058|2.540153|2.125076|3.856538|2.388863|0.061361|2.734007|4.531114|3.138082|2.612307|2.277093|2.319741|3.196650|0.064150|0.059005|2.734514|2.674285|4.135033|6.941352|5.622559|9.020065|17.713616|8.830710|7.034142|4.692103|3.930869|4.147419|5.592586|4.937724|2.748481|1.559598|1.532649|1.516191|1.524046|1.550059|1.570116|12.582691|0.038130|0.039857|0.037778|0.043635|0.047387|0.050528|0.076235|0.071272|0.099074|0.080870|0.061254|0.056930|0.070956|0.057685|0.087244|0.072952|0.065248|0.082052|0.216184|0.500000| |1.337181|1.463327|0.043202|1.519039|2.244574|1.861783|3.458338|2.010120|0.051505|2.207371|3.583226|2.623865|2.208460|2.025687|2.107400|2.827189|0.057850|0.052224|2.288443|2.190616|3.017018|4.948459|3.928577|4.693467|7.031754|8.834305|17.713499|8.996507|5.620438|4.929624|5.593305|4.151675|2.513785|1.433611|1.436653|1.431062|1.421575|1.418258|1.425691|11.195297|0.036051|0.037604|0.035199|0.039433|0.043256|0.044215|0.059849|0.058689|0.082010|0.071228|0.055776|0.050708|0.065373|0.053747|0.072567|0.060593|0.054235|0.064193|0.111132|0.212880|0.500000| |1.332650|1.440219|0.042858|1.474685|2.135527|1.763182|3.345048|1.841550|0.046957|1.968560|3.146073|2.379332|2.019030|1.921256|2.010772|2.615697|0.053826|0.048489|2.029962|1.942254|2.516086|4.076672|3.128724|3.290002|4.144022|5.618060|9.011354|17.723668|8.827922|5.652552|4.924575|3.602987|2.447374|1.397938|1.424396|1.420925|1.390605|1.365612|1.370444|10.577754|0.036178|0.037788|0.034853|0.038127|0.042354|0.041632|0.052258|0.053116|0.072846|0.067382|0.054173|0.048121|0.062777|0.052395|0.063498|0.053109|0.048570|0.055267|0.078915|0.111246|0.216547|0.500000| |1.533053|1.655155|0.049993|1.684823|2.413707|2.017314|3.949037|2.048002|0.051270|2.160574|3.480357|2.705608|2.249260|2.183321|2.263091|2.818330|0.057342|0.052062|2.134559|2.071849|2.682741|4.227154|3.287259|3.129168|3.597829|4.917837|5.647683|8.824741|17.723979|9.007387|5.616311|4.147397|2.760432|1.572425|1.621974|1.604001|1.539042|1.496059|1.512610|11.489589|0.041625|0.043945|0.039604|0.043000|0.049046|0.046255|0.055740|0.058935|0.081322|0.080454|0.063448|0.053981|0.071621|0.059309|0.066404|0.054473|0.051610|0.057780|0.074053|0.089642|0.124043|0.213986|0.500000| |1.876141|2.072591|0.063613|2.140572|3.113146|2.706318|5.496070|2.727398|0.065865|2.917920|4.946823|3.921150|3.021348|2.871859|2.877388|3.441751|0.067993|0.062810|2.633072|2.636446|3.734425|5.557139|4.690984|3.930831|4.148135|5.586973|4.928894|5.623804|8.998422|17.703758|8.826282|7.044192|3.394772|1.917879|1.965599|1.907357|1.811662|1.773337|1.822770|13.801305|0.050274|0.054052|0.047899|0.053539|0.063116|0.058497|0.072487|0.079769|0.116251|0.123586|0.085565|0.068790|0.092797|0.073345|0.082465|0.064983|0.064196|0.073203|0.089701|0.095734|0.107111|0.124089|0.216423|0.500000| |2.153538|2.476690|0.075848|2.664775|4.087929|3.788639|7.717603|4.008009|0.091585|4.644692|9.215094|6.878219|4.439598|3.785053|3.525792|4.205124|0.079388|0.076133|3.407391|3.655907|6.962406|8.953512|8.978095|5.617490|4.938086|5.600628|4.156893|3.944047|4.710290|7.075008|8.861235|17.712074|4.053936|2.259386|2.240293|2.130047|2.045292|2.058639|2.161987|16.709784|0.056441|0.061430|0.055063|0.065693|0.078414|0.076082|0.109288|0.124512|0.193633|0.217939|0.111109|0.087659|0.112190|0.084915|0.106990|0.081371|0.085459|0.104216|0.124117|0.107270|0.095885|0.089890|0.111610|0.214416|0.500000| |6.288726|7.020935|0.233270|4.559842|5.546702|3.854104|6.966151|3.225056|0.087259|2.605663|3.384109|2.829873|3.252367|4.156467|3.660616|4.143247|0.077455|0.088818|2.616563|2.777485|2.114546|3.457990|1.974220|1.746010|1.627101|1.665240|1.527653|1.531321|1.674931|1.855311|1.854416|2.045116|12.650944|8.914518|17.759822|8.946952|5.647473|4.962297|5.657904|31.479489|0.215773|0.144637|0.137536|0.109726|0.113886|0.105049|0.065495|0.070508|0.071656|0.084552|0.130602|0.130134|0.089917|0.113835|0.067939|0.065700|0.079390|0.067711|0.046721|0.041732|0.039548|0.039694|0.045818|0.055673|0.062429|0.500000| |3.498540|3.831328|0.119637|3.016046|4.032019|2.956196|5.279739|2.731592|0.074760|2.260182|3.038314|2.593418|2.967028|3.875556|3.951141|4.598291|0.089921|0.100075|2.725210|2.695776|1.938518|3.158458|1.856498|1.676229|1.584895|1.624175|1.508709|1.514626|1.639318|1.785940|1.780776|1.920439|7.475179|5.637402|8.957787|17.722837|8.910572|5.657260|4.971891|27.440124|0.110741|0.086939|0.085709|0.075725|0.077191|0.079858|0.058114|0.059561|0.068754|0.075480|0.112845|0.119515|0.095855|0.135972|0.070637|0.069528|0.076943|0.065049|0.044868|0.040998|0.039301|0.039545|0.044936|0.052799|0.057311|0.217128|0.500000| 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