Version2.0 2020-03-01T10:02:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 19-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)O[C@H](C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@@H]4COc5ccccc5O4 C39666203 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)O[C@H](C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@@H]4COc5ccccc5O4 C01[X(C28H36N3O5)] 210 C1 612 C[C@@H](Oc1ccc(cc1)C)CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@@H]1COc2c(O1)cccc2 C[C@@H](Oc1ccc(cc1)C)CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@@H]1COc2c(O1)cccc2 C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)[C@@H]3COc4ccccc4O3)Oc5ccc(C)cc5 InChIKey=KVDGISBQQRDRTL-LFAGZIFBSA-O InChI=1S/C28H35N3O5/c1-19-7-9-21(10-8-19)35-20(2)15-30-26(32)22-16-31(18-28(22)11-13-29-14-12-28)27(33)25-17-34-23-5-3-4-6-24(23)36-25/h3-10,20,22,25,29H,11-18H2,1-2H3,(H,30,32)/p+1/t20-,22-,25+/m1/s1 InChI=1/C28H35N3O5/c1-19-7-9-21(10-8-19)35-20(2)15-30-26(32)22-16-31(18-28(22)11-13-29-14-12-28)27(33)25-17-34-23-5-3-4-6-24(23)36-25/h3-10,20,22,25,29H,11-18H2,1-2H3,(H,30,32)/p+1/t20-,22-,25+/m1/s1/fC28H36N3O5/h29-30H/q+1 Cc1ccc(cc1)O[C@H](C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@@H]4COc5ccccc5O4 C01[X(C28H36N3O5)] 210 C01 612 C[C@@H](Oc1ccc(cc1)C)CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@@H]1COc2c(O1)cccc2 C[C@@H](Oc1ccc(cc1)C)CNC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)[C@@H]1COc2c(O1)cccc2 C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2]CC2)C(=O)[C@@H]3COc4ccccc4O3)Oc5ccc(C)cc5 InChIKey=DGWNXMWHALPNSU-LFAGZIFBSA-N InChI=1S/C28H36N3O5/c1-19-7-9-21(10-8-19)35-20(2)15-30-26(32)22-16-31(18-28(22)11-13-29-14-12-28)27(33)25-17-34-23-5-3-4-6-24(23)36-25/h3-10,20,22,25H,11-18,29H2,1-2H3,(H,30,32)/t20-,22-,25+/m1/s1 InChI=1/C28H36N3O5/c1-19-7-9-21(10-8-19)35-20(2)15-30-26(32)22-16-31(18-28(22)11-13-29-14-12-28)27(33)25-17-34-23-5-3-4-6-24(23)36-25/h3-10,20,22,25H,11-18,29H2,1-2H3,(H,30,32)/t20-,22-,25+/m1/s1/f/h30H 3847.1580120292 -1618.7540641 1-A 29559.0020 132 480 612 |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| -20.69046 -20.66534 -20.66031 -20.62354 -20.62276 -15.86609 -15.68902 -15.68092 -11.45304 -11.45243 -11.45040 -11.44353 -11.39139 -11.38886 -11.38386 -11.37837 -11.37695 -11.37666 -11.37073 -11.37067 -11.37054 -11.36377 -11.36231 -11.36132 -11.34448 -11.31697 -11.30859 -11.30553 -11.30427 -11.29432 -11.29325 -11.29249 -11.29204 -11.28915 -11.28811 -11.27479 -1.53181 -1.50063 -1.49487 -1.49257 -1.48682 -1.48174 -1.37186 -1.33315 -1.25860 -1.23528 -1.21857 -1.21499 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0.82548 0.83720 0.84249 0.84594 0.84732 0.85136 0.85965 0.86052 0.86617 0.87766 0.88443 0.88815 0.89332 0.90208 0.90300 0.90525 0.90666 0.92326 0.93055 0.93429 0.94057 0.94574 0.94863 0.95547 0.96292 0.96540 0.96955 0.97422 0.98204 0.98734 0.99245 0.99909 1.00557 1.01501 1.01824 1.02194 1.02900 1.03582 1.03954 1.04276 1.04581 1.04774 1.05586 1.05742 1.05983 1.06223 1.06747 1.07203 1.07541 1.08085 1.09140 1.09882 1.10015 1.10268 1.10457 1.10778 1.10988 1.11344 1.11493 1.12158 1.12807 1.12968 1.13001 1.13561 1.13993 1.14458 1.14526 1.15148 1.15631 1.16237 1.17514 1.18200 1.18523 1.19225 1.20168 1.20987 1.21663 1.21925 1.22538 1.23919 1.24141 1.25150 1.26171 1.26629 1.26977 1.29020 1.29155 1.29905 1.30599 1.31646 1.32565 1.33364 1.34306 1.35203 1.35253 1.37080 1.37413 1.38579 1.39095 1.39547 1.40314 1.40880 1.41941 1.43201 1.44462 1.45112 1.45534 1.46462 1.48230 1.48621 1.50018 1.50843 1.52477 1.53301 1.54147 1.55286 1.56595 1.58137 1.58267 1.59655 1.60222 1.61271 1.61689 1.62552 1.62808 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1125.90 1145.55 1148.86 1161.46 1215.98 1221.50 1224.15 1252.76 1268.94 1273.44 1278.82 1326.53 1328.50 1345.68 1349.64 1356.05 1375.22 1383.36 1393.72 1412.75 1450.61 1456.05 1494.01 1499.16 1523.45 1525.63 1526.55 1560.96 1564.79 1572.46 1577.30 1581.46 1591.54 1603.07 1622.49 1625.90 1636.68 1640.79 1672.26 1691.93 1693.45 1711.18 1721.94 1732.87 1743.33 1760.34 1768.42 1779.21 1782.13 1797.97 1805.31 1835.63 1852.89 1860.48 1884.56 1900.78 1906.61 1917.33 1921.33 1922.87 1933.51 1950.96 1978.13 1992.95 2003.82 2011.44 2016.04 2037.45 2047.23 2054.04 2084.97 2091.13 2100.45 2105.38 2107.42 2117.74 2162.99 2165.17 2185.93 2192.57 2215.55 2222.21 2236.40 2241.38 2250.96 2253.69 2258.90 2260.03 2267.11 2272.86 2277.06 2328.26 2343.67 2347.00 2348.85 2354.83 2361.52 2363.46 2366.73 2367.56 2371.04 2372.24 2387.90 2411.83 2416.78 2422.55 2432.90 2478.84 2562.77 2587.59 2609.94 2626.29 2629.59 2762.52 2804.40 4600.42 4611.28 4616.46 4628.24 4630.78 4648.00 4663.69 4668.11 4687.07 4690.04 4700.66 4707.47 4718.29 4722.49 4726.56 4727.05 4742.37 4747.09 4757.69 4791.61 4799.33 4800.39 4804.40 4823.33 4828.64 4830.85 4836.12 4837.27 4862.12 4874.05 4880.62 4891.81 4898.17 5276.21 5367.90 5581.73 0.665014 0.696276 0.697220 0.595726 -1618.089051 -1618.057788 -1618.056844 -1618.158338 3.404125D-04 MUNgauss RevisionA2.0 retrievium 01-Mar-2020 DUDE Cc1ccc(cc1)O[C@H](C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@@H]4COc5ccccc5O4 C39666203 RHF 6-31G(d) (6D,10F) C1 494.265497 |X|Y|Z| 40.504602 53.068933 158.435852 69.833863 32 6 7 8 26 3 3 |36.858105| |12.607062|36.858105| |7.531106|13.786222|36.858105| |4.987759|7.849725|13.678109|36.858105| |4.412149|6.787494|7.947522|13.790374|36.858105| |5.010260|7.873228|6.924593|7.957065|13.688232|36.858105| |7.536143|13.646727|8.028309|6.896989|7.937011|13.833946|36.858105| |3.356546|4.573642|5.176725|7.823439|13.984238|8.179948|5.286492|73.516695| |2.882933|3.722185|4.421768|6.521427|7.843806|5.221518|3.953718|23.971159|36.858105| |2.937088|3.769513|4.706908|7.086379|7.169172|4.755526|3.806352|16.531013|17.562735|0.500000| |2.751672|3.458789|4.084662|5.598583|6.097070|4.473901|3.589033|13.932255|12.514287|0.245109|36.858105| |2.405816|2.971146|3.338033|4.398611|5.250762|4.115369|3.215892|14.542843|12.516699|0.248827|7.570836|36.858105| |2.386866|2.926400|3.219899|4.111638|4.924203|4.056189|3.199234|12.539548|7.804892|0.197407|5.023152|13.121498|53.358707| |2.086137|2.476210|2.696612|3.280017|3.702115|3.198963|2.655727|8.403666|5.241422|0.143730|3.881796|7.738853|19.371153|36.858105| |1.892564|2.212130|2.422078|2.906673|3.175641|2.749975|2.333356|7.019154|4.622687|0.128218|3.688622|6.739848|11.543455|15.782556|73.516695| |2.026540|2.366158|2.511672|2.939917|3.298354|2.999308|2.551931|6.990723|3.972390|0.110839|3.075587|5.009328|10.727970|12.464603|14.164878|36.858105| |2.235677|2.635250|2.779250|3.248269|3.684659|3.382537|2.865623|7.639423|4.107741|0.115933|3.111671|4.831434|10.398370|8.891919|10.520003|17.571370|0.500000| |1.852313|2.132592|2.207993|2.530588|2.879778|2.728963|2.338267|6.048818|3.347230|0.089553|2.729223|4.214288|7.903652|7.593779|10.762367|12.291571|0.243028|36.858105| |1.639390|1.854310|1.926234|2.173543|2.399401|2.270963|1.995012|4.913209|2.799499|0.076329|2.367286|3.442154|5.927202|5.793161|9.741855|8.027687|0.164557|13.086820|53.358707| |1.621137|1.829841|1.931581|2.184109|2.352778|2.180465|1.931457|4.780477|2.809322|0.078917|2.372111|3.420357|5.838764|6.039703|11.082467|7.935250|0.158878|7.888443|17.883037|36.858105| |1.823932|2.080153|2.215272|2.525704|2.710598|2.479575|2.187006|5.482889|3.192331|0.092179|2.593246|3.805136|6.970787|7.365503|11.666433|12.256541|0.242290|7.801147|11.133948|12.368397|36.858105| |1.833825|2.086719|2.274238|2.599876|2.690421|2.398282|2.139228|5.363261|3.250627|0.098165|2.657596|3.747197|6.463887|6.423824|11.376308|7.330801|0.173673|4.972451|6.967093|7.400661|12.389065|36.858105| |1.648742|1.836410|1.984673|2.207662|2.244400|2.038568|1.861966|4.345943|2.604605|0.078243|2.218769|2.898543|4.685469|4.275504|7.849653|4.822720|0.121312|3.834308|5.752053|6.000717|7.472420|12.508163|36.858105| |1.643062|1.810512|1.927749|2.103542|2.140454|1.985285|1.837912|4.058150|2.353971|0.070190|2.011171|2.558491|4.154925|3.624274|6.281836|4.363452|0.117072|3.617327|5.358395|5.091702|6.444842|7.670100|12.636874|53.358707| |1.530057|1.668128|1.770065|1.910871|1.930911|1.802081|1.684634|3.629570|2.106644|0.062588|1.832194|2.268458|3.589938|3.068409|5.415542|3.567035|0.095831|3.091892|4.635093|4.273287|4.906889|5.667767|9.158866|25.686294|0.500000| |1.755243|1.933595|2.066048|2.243060|2.258949|2.090897|1.947935|4.223925|2.431302|0.073440|2.062710|2.585299|4.204009|3.556354|6.007742|4.238396|0.119596|3.423939|4.816754|4.341278|5.767366|7.028710|9.203938|25.676188|0.328388|0.500000| |1.629319|1.797337|1.882047|2.051483|2.135588|2.017031|1.857338|4.076074|2.313119|0.067401|1.969188|2.553032|4.233567|3.723437|6.260310|4.885126|0.130687|4.303099|6.605738|6.024938|7.418018|6.475753|7.584278|17.205298|0.254536|0.255500|36.858105| |1.805777|2.028471|2.122140|2.353701|2.507992|2.362349|2.130807|4.879772|2.731900|0.078953|2.257955|3.080659|5.417054|4.913854|7.691609|7.592434|0.205534|6.177784|8.728430|7.513173|12.315666|7.609317|6.510974|10.463526|0.157660|0.195102|12.510889|36.858105| |1.501534|1.678772|1.724508|1.918929|2.114072|2.036860|1.809947|4.267361|2.409792|0.065055|2.099226|2.897598|4.707853|4.230329|7.350256|5.199222|0.119615|7.863337|19.184866|7.559261|5.256538|3.813063|3.399531|4.443641|0.081743|0.081858|4.000877|4.748696|36.858105| |1.504545|1.680387|1.706913|1.891377|2.108674|2.065438|1.832532|4.250343|2.355282|0.062615|2.068920|2.810550|4.492390|3.823384|6.476412|4.545405|0.110095|7.047070|11.637806|5.297271|4.233792|3.205765|2.852759|3.788274|0.070343|0.071579|3.347407|3.974487|15.884858|73.516695| |1.355057|1.497377|1.542165|1.698313|1.835874|1.765286|1.593040|3.645922|2.085645|0.057000|1.854051|2.452375|3.844426|3.400433|6.192321|3.960498|0.093970|4.994301|10.526133|6.423131|4.392642|3.465046|3.322841|4.352438|0.082818|0.078346|3.860725|4.104774|12.487159|14.266056|36.858105| |1.333508|1.475602|1.532083|1.694934|1.820608|1.731225|1.560167|3.633476|2.116284|0.058029|1.892637|2.508787|3.875939|3.479781|6.626254|3.869901|0.090235|4.612557|9.479330|6.717601|4.375793|3.603648|3.483093|4.367054|0.083528|0.077972|3.697943|3.858375|8.828095|10.911722|17.526909|0.500000| |1.254804|1.375550|1.404868|1.532915|1.657025|1.612699|1.466408|3.260814|1.850593|0.050190|1.675584|2.142365|3.265843|2.766849|5.010571|3.106585|0.076611|3.858957|6.893980|4.268524|3.279472|2.717398|2.633812|3.506438|0.068108|0.064569|3.026484|3.163691|7.570351|12.433167|12.548483|0.248134|36.858105| |1.161838|1.264622|1.294584|1.403889|1.499792|1.456149|1.336079|2.923533|1.670828|0.045676|1.528461|1.907747|2.864610|2.408073|4.424926|2.652295|0.066193|3.105356|5.367872|3.649135|2.874406|2.485990|2.494766|3.327983|0.066142|0.060976|2.806312|2.800483|5.102389|8.237765|8.027651|0.204139|13.559400|73.516695| |1.153337|1.250674|1.281786|1.383782|1.467264|1.423199|1.313799|2.836886|1.619794|0.044730|1.475193|1.829970|2.768145|2.332707|4.262117|2.612887|0.065825|2.967122|5.134505|3.663111|2.934359|2.562462|2.657472|3.628038|0.073320|0.065649|3.094603|2.954253|4.586825|7.156376|7.036268|0.178228|8.208826|25.022544|36.858105| |1.069527|1.151490|1.178717|1.263480|1.329833|1.292715|1.203108|2.548051|1.455351|0.040320|1.337783|1.622241|2.422533|2.009604|3.675034|2.215205|0.056702|2.447183|4.048148|2.954182|2.473015|2.230957|2.353078|3.239232|0.066790|0.059182|2.687018|2.513942|3.440115|5.564062|4.661449|0.124714|5.320524|14.337130|13.750661|36.858105| |1.052153|1.127771|1.154958|1.231749|1.287547|1.251560|1.171989|2.447893|1.396555|0.038974|1.282301|1.540616|2.304228|1.903721|3.463234|2.108758|0.054603|2.272636|3.697334|2.769361|2.389827|2.193356|2.372231|3.340155|0.070342|0.060919|2.752819|2.487516|3.014768|4.860900|3.868013|0.103862|4.055510|9.337523|7.941361|13.786386|36.858105| |1.111210|1.192367|1.223073|1.304448|1.360720|1.320221|1.236879|2.581761|1.470349|0.041291|1.337926|1.618939|2.450822|2.038874|3.681246|2.301936|0.059811|2.447591|4.008444|3.068101|2.678997|2.452553|2.713486|3.935185|0.083997|0.070756|3.311167|2.871855|3.183404|5.025413|4.017957|0.106279|3.894973|8.205993|6.867960|7.940181|13.727626|36.858105| |1.205941|1.303379|1.339317|1.438050|1.508898|1.459881|1.357878|2.883348|1.640546|0.046069|1.475410|1.825263|2.810507|2.378992|4.272789|2.758461|0.070823|2.967055|5.053591|3.888952|3.298301|2.917051|3.216540|4.704495|0.098344|0.082721|4.185475|3.589804|4.024128|6.102345|5.261858|0.134053|4.689974|9.293373|7.935850|6.885467|7.949646|13.781968|36.858105| |1.232348|1.340498|1.377035|1.489682|1.578604|1.526515|1.406988|3.052044|1.739115|0.048367|1.562568|1.966829|3.035509|2.598191|4.696604|3.012446|0.075618|3.392281|6.088017|4.466066|3.531625|3.011036|3.173949|4.438632|0.089368|0.078573|3.966621|3.671897|5.256148|7.704773|8.100175|0.192324|7.072734|14.192029|13.739933|7.948773|6.884850|7.945862|13.764601|36.858105| |1.345964|1.478186|1.521299|1.661316|1.777548|1.712894|1.561813|3.476691|1.977448|0.054828|1.749910|2.274394|3.596630|3.158898|5.647045|3.814024|0.093181|4.486484|8.926866|6.229534|4.548273|3.606325|3.647761|5.037008|0.097145|0.088532|4.736357|4.665389|8.037654|10.366270|13.463677|0.258524|7.936356|12.102282|7.927626|5.205971|4.605002|5.238132|8.044692|13.903111|73.516695| |17.546470|8.835824|5.904781|4.294625|3.959451|4.579355|6.653634|5.515615|2.683227|0.074516|2.631976|2.261069|3.014133|1.941327|3.154659|1.878321|0.056959|1.741199|2.105692|1.521754|1.690782|1.691186|1.526364|2.064511|0.039386|0.044669|1.510344|1.668321|1.428581|2.558301|1.292134|0.035334|1.204605|1.984846|1.104543|1.026344|1.007529|1.059329|1.145800|1.173730|2.271754|0.500000| |17.545946|8.830760|5.836642|4.263975|3.951931|4.598564|6.732411|5.516076|2.655964|0.075194|2.487408|2.273566|3.137158|2.037051|3.270183|2.016877|0.062283|1.852380|2.232748|1.616436|1.823303|1.819508|1.644520|2.257817|0.042948|0.049381|1.655364|1.832508|1.506091|2.687643|1.359090|0.036962|1.260040|2.073345|1.161262|1.077605|1.062671|1.125033|1.221050|1.243819|2.413208|0.302334|0.500000| |17.580063|8.839519|7.217459|4.726558|3.950135|4.165186|5.561684|5.483022|2.746693|0.079334|2.646821|2.291964|3.082689|2.000952|3.258931|1.936952|0.058967|1.757903|2.139130|1.570251|1.767357|1.801832|1.632705|2.210944|0.042190|0.048353|1.593256|1.747847|1.437938|2.545291|1.307296|0.035879|1.208973|2.000391|1.120434|1.042267|1.028449|1.087059|1.176522|1.197428|2.316056|0.302088|0.301920|0.500000| |6.968215|8.944006|17.705044|8.958800|5.667198|4.977974|5.677307|7.437728|3.843071|0.116960|3.659739|2.980603|3.908119|2.470084|4.014804|2.306552|0.070112|2.025500|2.445023|1.821718|2.081860|2.173075|1.925152|2.545067|0.048032|0.055842|1.803092|2.000665|1.613148|2.822835|1.458507|0.040402|1.330256|2.194731|1.227016|1.133919|1.115412|1.181596|1.288034|1.317069|2.569930|0.153073|0.150441|0.221033|0.500000| |4.089423|5.631337|8.947060|17.756370|8.870824|5.637418|4.968089|12.384419|7.133680|0.247659|6.213599|4.644517|5.730346|3.402003|5.473075|2.968165|0.089354|2.511413|2.975241|2.237110|2.590432|2.742817|2.323108|2.961561|0.054916|0.064437|2.085443|2.372612|1.918346|3.325585|1.710508|0.047837|1.535782|2.512152|1.394944|1.274690|1.243863|1.317843|1.452080|1.502374|2.974496|0.099930|0.099053|0.113164|0.218485|0.500000| |4.082568|5.609224|4.979675|5.668266|8.948784|17.728116|8.905232|13.482142|4.873041|0.118481|4.186547|4.148561|5.652113|3.273703|4.962254|3.102242|0.096836|2.912977|3.248309|2.241799|2.517083|2.373822|2.013377|2.674134|0.049500|0.056942|2.028891|2.398523|2.156412|3.944444|1.846832|0.049998|1.695287|2.698837|1.474387|1.333661|1.284342|1.350781|1.497269|1.577113|3.160256|0.107649|0.108234|0.095764|0.107965|0.124144|0.500000| |6.994711|8.893393|5.681448|4.963044|5.654497|8.989925|17.697707|7.614938|3.317582|0.088123|3.063600|2.825871|3.869298|2.412687|3.789904|2.361621|0.073360|2.213058|2.583941|1.820588|2.039205|1.972072|1.735442|2.353234|0.044243|0.050707|1.763990|2.012836|1.743241|3.164961|1.537345|0.041600|1.427249|2.312110|1.278132|1.173265|1.142974|1.203801|1.317599|1.364542|2.682415|0.187784|0.192187|0.140294|0.124409|0.107755|0.215800|0.500000| |3.080195|3.920559|4.799996|6.615707|6.525917|4.732588|3.925345|12.440597|8.801749|0.210085|17.602304|5.501204|5.642586|3.306201|5.556224|2.737359|0.078287|2.435994|2.901165|2.140685|2.353411|2.427779|2.063318|2.579608|0.048244|0.054435|1.847600|2.096158|1.905116|3.345177|1.697335|0.047916|1.543576|2.518364|1.374591|1.254521|1.208803|1.262399|1.384984|1.455660|2.876490|0.082072|0.075489|0.082852|0.119745|0.206701|0.117226|0.091349|0.500000| |2.442309|2.968710|3.498310|4.545373|4.648602|3.592738|3.011423|10.072607|8.835936|0.212274|17.553837|6.857980|6.277892|3.781144|6.713600|2.954896|0.081170|2.616432|3.162089|2.368499|2.556788|2.675683|2.250376|2.733267|0.051045|0.056868|1.943597|2.199755|2.062505|3.577894|1.844821|0.052893|1.664578|2.718327|1.475831|1.341384|1.285587|1.338586|1.472222|1.558747|3.089779|0.064986|0.061809|0.066353|0.090568|0.146078|0.094320|0.072835|0.301544|0.500000| |2.610107|3.235114|3.626986|4.691850|5.459016|4.370046|3.477909|12.592664|8.849271|0.173247|17.570388|6.929600|6.370819|3.659793|6.189204|2.942642|0.082110|2.707458|3.185635|2.297502|2.461142|2.460020|2.069593|2.571931|0.047981|0.053435|1.876787|2.154479|2.105091|3.739731|1.850640|0.052314|1.689252|2.727516|1.469008|1.330953|1.268864|1.316524|1.449646|1.545115|3.074833|0.070624|0.065981|0.068793|0.089613|0.134217|0.119435|0.084449|0.301802|0.300293|0.500000| |2.303373|2.816905|3.067050|3.907532|4.804222|4.011027|3.121472|12.954906|8.889175|0.174950|7.026420|17.561382|12.421856|6.304350|10.113051|4.464749|0.118709|4.111937|4.559641|3.200706|3.410063|3.241647|2.584735|3.153232|0.057629|0.064473|2.354311|2.821604|2.904605|5.136688|2.440017|0.069019|2.167544|3.407591|1.815855|1.608379|1.515757|1.579272|1.774211|1.929160|3.956729|0.061065|0.060564|0.060394|0.075779|0.110375|0.117449|0.077638|0.142725|0.172684|0.212059|0.500000| |2.186738|2.638112|2.987255|3.820737|4.235949|3.397545|2.777549|10.324265|8.851764|0.216356|6.811085|17.656739|12.570732|7.423411|13.823523|4.677821|0.119775|3.925726|4.605300|3.491192|3.789422|3.896964|3.026839|3.530175|0.064199|0.072071|2.539055|2.994852|2.851721|4.825220|2.467688|0.071536|2.145326|3.430999|1.851568|1.644662|1.561134|1.636822|1.840607|1.983619|4.055163|0.057268|0.057413|0.058718|0.076256|0.116391|0.093810|0.068507|0.139646|0.201766|0.168385|0.301649|0.500000| |2.602440|3.241847|3.495096|4.456601|5.662660|4.784151|3.652478|14.423311|7.239032|0.181694|4.691203|9.135646|26.050499|9.397361|10.842764|7.529506|0.239386|5.774088|5.654962|3.947499|4.810768|4.311305|3.217009|4.044969|0.071360|0.084770|3.087031|4.015842|3.354606|5.820601|2.714847|0.074438|2.332026|3.623227|1.977370|1.734741|1.656160|1.766611|2.024717|2.174441|4.573743|0.066614|0.070358|0.067604|0.084601|0.120692|0.138891|0.089837|0.112126|0.114698|0.123463|0.209413|0.180556|0.500000| |1.880936|2.152636|2.189531|2.469148|2.825800|2.759317|2.385668|5.778793|3.076099|0.082263|2.531795|3.682206|6.675655|5.674565|8.150290|8.672810|0.225088|17.607518|12.403568|5.991256|6.274145|4.236451|3.433728|4.654150|0.082006|0.091404|4.196751|6.027175|7.038879|12.610592|4.602454|0.112849|3.733204|5.326156|2.889240|2.399823|2.243077|2.425214|2.932437|3.311102|7.677050|0.049112|0.052789|0.049262|0.055572|0.066926|0.082822|0.063537|0.063827|0.066580|0.070141|0.101062|0.093472|0.145818|0.500000| |1.851823|2.143898|2.216240|2.562336|2.967944|2.813206|2.374721|6.406493|3.557269|0.091964|2.929509|4.673467|8.425571|7.536695|11.024632|8.653714|0.187853|17.608000|12.327313|6.113027|5.744520|4.192042|3.297769|4.159841|0.074190|0.081083|3.480042|4.601106|6.938418|12.388854|4.553673|0.120056|3.717242|5.304234|2.771110|2.306918|2.118973|2.236167|2.650240|3.050255|6.909267|0.048732|0.051064|0.048620|0.056157|0.070462|0.084773|0.062447|0.071498|0.077716|0.082466|0.133582|0.119227|0.166769|0.303796|0.500000| |1.509252|1.682878|1.768235|1.969755|2.095799|1.961273|1.764115|4.171433|2.437349|0.068867|2.099928|2.873712|4.719324|4.529090|8.371127|5.663235|0.126556|5.781034|12.426942|17.674838|8.626836|6.301480|6.154313|7.468326|0.132563|0.123319|6.787326|7.043805|6.977337|8.668656|7.221505|0.211532|4.598034|7.253573|4.305297|3.409036|3.226066|3.673701|4.883735|5.614515|14.432081|0.039426|0.041964|0.040768|0.046690|0.056002|0.055802|0.046492|0.053300|0.058452|0.056557|0.075316|0.081718|0.090456|0.136457|0.130621|0.500000| |1.593305|1.803016|1.920793|2.190063|2.348483|2.147009|1.894155|4.830243|2.925465|0.082023|2.495903|3.649186|6.012324|6.386591|13.653891|6.845325|0.138365|6.528884|12.332980|17.599367|8.818772|7.059940|5.662680|6.037712|0.106479|0.107108|4.738785|5.504217|6.272104|8.321479|5.660947|0.182498|3.976142|6.192262|3.410319|2.800009|2.603198|2.814977|3.439364|3.945103|9.073466|0.041678|0.043783|0.043010|0.050478|0.063051|0.061069|0.049342|0.061881|0.070388|0.067060|0.094583|0.107520|0.108018|0.136694|0.159780|0.300656|0.500000| |1.798788|2.055213|2.261966|2.619331|2.705118|2.374602|2.102530|5.495539|3.468208|0.104788|2.858511|4.120537|6.840765|7.034876|14.560230|6.597448|0.150184|4.686848|6.581283|6.886823|8.791518|17.645781|8.986103|7.614731|0.126914|0.143719|4.862238|5.516704|3.673544|5.524338|3.366094|0.100421|2.665516|4.354123|2.481556|2.167056|2.107327|2.312374|2.708411|2.842955|5.977754|0.046328|0.049097|0.049198|0.060157|0.077973|0.065220|0.053595|0.071457|0.081658|0.073119|0.097701|0.125213|0.119833|0.107800|0.116047|0.158772|0.216003|0.500000| |2.014998|2.310378|2.549390|2.929558|2.986577|2.625274|2.345560|5.865376|3.533497|0.110394|2.824392|3.903859|6.794638|6.178959|10.090696|6.822243|0.184396|4.491501|5.830195|5.445514|8.805052|17.496616|8.903853|9.408696|0.144347|0.206294|5.685636|6.821113|3.301850|5.124483|2.966814|0.084125|2.405457|3.918979|2.266513|2.001743|1.980235|2.205479|2.576918|2.627248|5.483132|0.051062|0.055532|0.055168|0.067735|0.086401|0.071033|0.059440|0.072436|0.078171|0.071402|0.091595|0.110345|0.129263|0.110710|0.107217|0.131968|0.144027|0.303978|0.500000| |1.523944|1.689223|1.812739|2.009949|2.057940|1.884372|1.721472|4.005988|2.404508|0.070946|2.083772|2.713568|4.306618|3.958870|7.555689|4.409135|0.107504|3.755223|6.002794|6.555769|6.696920|8.742875|17.626017|12.429186|0.224307|0.181173|6.943309|5.742123|3.631541|5.295218|3.721794|0.111640|2.895193|4.951022|3.000601|2.638357|2.655177|3.049955|3.657979|3.621719|7.345189|0.039485|0.042190|0.041842|0.048811|0.058526|0.052129|0.044853|0.053624|0.059039|0.054601|0.068479|0.079411|0.081604|0.092586|0.090597|0.206575|0.176553|0.212819|0.173063|0.500000| |1.636945|1.814381|1.979428|2.191174|2.184953|1.970231|1.814979|4.181371|2.535574|0.077355|2.187882|2.756099|4.311581|3.778685|7.033094|4.004184|0.103773|3.225390|4.696213|4.573985|5.451420|8.770240|17.626786|12.361906|0.222904|0.224414|5.574894|4.892328|2.869845|4.390664|2.826917|0.082767|2.313954|3.950300|2.357159|2.131208|2.162842|2.445359|2.807807|2.743393|5.426073|0.042040|0.045184|0.045416|0.053959|0.064832|0.053483|0.046825|0.056982|0.062225|0.056178|0.067894|0.080872|0.082065|0.081211|0.079501|0.128706|0.126274|0.212466|0.215596|0.301365|0.500000| |1.507701|1.657331|1.731573|1.887153|1.970276|1.865497|1.716576|3.784906|2.164495|0.062412|1.868846|2.417268|3.936795|3.495635|6.080688|4.443002|0.113664|4.184786|6.978142|6.548758|6.622679|5.684558|6.913728|12.415188|0.224609|0.181063|17.649741|8.745356|4.392167|6.321431|4.529288|0.120856|3.445130|5.763461|3.684653|3.143235|3.233879|4.003994|5.364164|4.983565|10.652928|0.039103|0.042412|0.040950|0.046139|0.053372|0.052432|0.045468|0.048525|0.051579|0.049848|0.062706|0.067491|0.078660|0.111568|0.095297|0.238627|0.141423|0.127368|0.131696|0.207893|0.142721|0.500000| |1.608427|1.756095|1.821236|1.956243|2.028334|1.941971|1.811339|3.807067|2.129230|0.061926|1.827963|2.304256|3.764286|3.183182|5.300190|4.074377|0.114198|3.713641|5.495221|4.593488|5.428659|4.883350|5.574309|12.360099|0.222274|0.224824|17.625298|8.775537|3.506768|5.414079|3.406512|0.089034|2.787357|4.640166|2.905037|2.576534|2.689461|3.270184|4.037257|3.682480|7.471490|0.041392|0.045755|0.043699|0.048592|0.054792|0.054220|0.048143|0.048109|0.049847|0.048530|0.059501|0.063063|0.077696|0.105006|0.085265|0.140950|0.104544|0.107489|0.128302|0.142878|0.126467|0.301492|0.500000| |1.976566|2.228832|2.330909|2.575309|2.732594|2.577812|2.335296|5.224252|2.869072|0.083994|2.339103|3.138743|5.564666|4.755099|7.164421|7.060200|0.227754|5.393733|6.826328|5.496194|8.783371|6.811574|5.689134|9.394996|0.144155|0.205257|8.916069|17.512889|3.899528|6.125816|3.366973|0.088486|2.720170|4.319060|2.541911|2.211589|2.202174|2.514701|3.036249|3.061474|6.607794|0.050222|0.056057|0.053085|0.060862|0.071605|0.072010|0.061018|0.060901|0.062611|0.061488|0.078921|0.083215|0.118786|0.152886|0.116649|0.140685|0.123223|0.139426|0.199925|0.132287|0.127911|0.173299|0.216892|0.500000| |1.752215|1.959998|2.019112|2.224130|2.405113|2.312568|2.086316|4.680431|2.572962|0.072781|2.149391|2.913538|5.069694|4.478802|6.983427|6.914021|0.188122|6.877579|9.880283|7.050475|8.734596|5.512328|4.886034|7.634149|0.127214|0.143583|9.023478|17.596960|5.582757|8.367408|4.612719|0.113913|3.545162|5.421583|3.205602|2.679783|2.623056|3.023651|3.849221|4.034643|9.484698|0.045253|0.049617|0.046777|0.052574|0.061478|0.066284|0.055388|0.055440|0.057784|0.057806|0.076059|0.077696|0.106460|0.206577|0.137539|0.187785|0.141154|0.123063|0.139331|0.128725|0.107724|0.214454|0.212829|0.303694|0.500000| |1.260297|1.377224|1.396171|1.514734|1.642370|1.615088|1.474267|3.209029|1.796590|0.048659|1.623781|2.057572|3.151438|2.625206|4.640250|3.000553|0.075683|3.764759|6.406419|3.863281|3.117895|2.564380|2.480811|3.386799|0.065783|0.063031|2.971695|3.125631|6.917516|12.784767|8.875203|0.174443|17.602308|16.499751|7.092825|4.961392|3.923742|3.818317|4.567781|6.495723|12.757290|0.033626|0.035316|0.033631|0.036649|0.041868|0.047363|0.040092|0.041768|0.044469|0.045555|0.057953|0.056518|0.063526|0.105965|0.099837|0.114257|0.097406|0.068835|0.064072|0.074350|0.060687|0.092552|0.077746|0.075527|0.099909|0.500000| |1.247691|1.370616|1.399588|1.531829|1.663314|1.618700|1.465790|3.293783|1.875043|0.050391|1.711791|2.186579|3.283428|2.755071|5.034551|2.997800|0.073740|3.750056|6.410805|3.926928|3.057298|2.566768|2.444967|3.200155|0.061953|0.059584|2.696478|2.869684|6.834266|12.352880|8.832531|0.213634|17.679999|16.870715|5.935426|4.370115|3.412489|3.234131|3.735427|5.121270|10.139209|0.033395|0.034677|0.033342|0.036745|0.042623|0.047469|0.039636|0.043618|0.047307|0.048325|0.062295|0.060935|0.064768|0.099390|0.105028|0.112148|0.105798|0.071223|0.063569|0.074003|0.060357|0.083293|0.068924|0.069736|0.087928|0.300652|0.500000| |1.022684|1.098959|1.123365|1.202437|1.265741|1.232653|1.148571|2.423848|1.385364|0.038238|1.283494|1.541294|2.277059|1.871636|3.433825|2.031459|0.052140|2.246794|3.646037|2.633943|2.224986|2.024118|2.111804|2.877591|0.059164|0.053152|2.349497|2.234250|3.101967|5.148818|4.059768|0.110633|4.869057|13.204319|8.998544|17.738728|8.867694|5.631996|4.960526|5.671281|7.498868|0.027351|0.028580|0.027681|0.030034|0.033683|0.035368|0.031168|0.033458|0.035796|0.035610|0.042702|0.043451|0.045260|0.061163|0.059793|0.082241|0.070565|0.055180|0.050825|0.065197|0.053709|0.074738|0.062679|0.055287|0.065866|0.126070|0.117881|0.500000| |0.995091|1.061840|1.086291|1.153561|1.201227|1.169555|1.100285|2.272743|1.296641|0.036209|1.198138|1.420088|2.106003|1.722842|3.135220|1.887147|0.049235|2.014505|3.207371|2.404791|2.115952|1.971933|2.133982|3.002568|0.063648|0.055377|2.425468|2.197913|2.581767|4.233486|3.191110|0.086756|3.371972|7.544264|5.653192|8.946333|17.734458|8.900771|5.650344|4.959498|6.499109|0.026518|0.027919|0.027066|0.029224|0.032364|0.033274|0.029857|0.031489|0.033404|0.032944|0.038850|0.039999|0.042097|0.055347|0.052609|0.076325|0.063516|0.052877|0.049953|0.065703|0.054833|0.077472|0.066442|0.054868|0.063835|0.091438|0.081669|0.213734|0.500000| 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