Version2.0 2020-01-08T01:43:39Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)CCC(=O)N1[C@H](CC(=N1)c2ccco2)C3=N[C@H](N=C3c4ccccc4)c5ccccc5 C19074336 RHF 6-31G(d) (6D,7F) CC[NH+](CC)CCC(=O)N1[C@H](CC(=N1)c2ccco2)C3=N[C@H](N=C3c4ccccc4)c5ccccc5 C01[X(C29H32N5O2)] 198 C1 604 CC[NH+](CCC(=O)N1N=C(C[C@@H]1C1=N[C@H](N=C1c1ccccc1)c1ccccc1)c1ccco1)CC CC[NH+](CCC(=O)N1N=C(C[C@@H]1C1=N[C@H](N=C1c1ccccc1)c1ccccc1)c1ccco1)CC CC[NH+](CC)CCC(=O)N1N=C(C[C@@H]1C2=N[C@H](N=C2c3ccccc3)c4ccccc4)c5occc5 InChIKey=ADTHWNCXVHCECK-GIGWZHCTSA-O InChI=1S/C29H31N5O2/c1-3-33(4-2)18-17-26(35)34-24(20-23(32-34)25-16-11-19-36-25)28-27(21-12-7-5-8-13-21)30-29(31-28)22-14-9-6-10-15-22/h5-16,19,24,29H,3-4,17-18,20H2,1-2H3/p+1/t24-,29+/m1/s1 InChI=1/C29H31N5O2/c1-3-33(4-2)18-17-26(35)34-24(20-23(32-34)25-16-11-19-36-25)28-27(21-12-7-5-8-13-21)30-29(31-28)22-14-9-6-10-15-22/h5-16,19,24,29H,3-4,17-18,20H2,1-2H3/p+1/t24-,29+/m1/s1/fC29H32N5O2/h33H/q+1 CC[NH+](CC)CCC(=O)N1[C@H](CC(=N1)c2ccco2)C3=N[C@H](N=C3c4ccccc4)c5ccccc5 C01[X(C29H32N5O2)] 198 C01 604 CC[NH+](CCC(=O)N1N=C(C[C@@H]1C1=N[C@H](N=C1c1ccccc1)c1ccccc1)c1ccco1)CC CC[NH](CCC(=O)N1N=C(C[C@@H]1C1=N[C@H](N=C1c1ccccc1)c1ccccc1)c1ccco1)CC CC[NH](CC)CCC(=O)N1N=C(C[C@@H]1C2=N[C@H](N=C2c3ccccc3)c4ccccc4)c5occc5 InChIKey=MFPUUAHSUGNLSG-GIGWZHCTSA-N InChI=1S/C29H32N5O2/c1-3-33(4-2)18-17-26(35)34-24(20-23(32-34)25-16-11-19-36-25)28-27(21-12-7-5-8-13-21)30-29(31-28)22-14-9-6-10-15-22/h5-16,19,24,29,33H,3-4,17-18,20H2,1-2H3/t24-,29+/m1/s1 InChI=1/C29H32N5O2/c1-3-33(4-2)18-17-26(35)34-24(20-23(32-34)25-16-11-19-36-25)28-27(21-12-7-5-8-13-21)30-29(31-28)22-14-9-6-10-15-22/h5-16,19,24,29,33H,3-4,17-18,20H2,1-2H3/t24-,29+/m1/s1 3725.2470725871 -1538.5449436 1-A 20931.8516 128 476 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|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|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| 10.6908 14.8975 18.4646 19.5045 22.6212 35.0709 38.3609 40.3246 45.7789 54.9504 69.4508 79.1187 92.9701 96.3371 106.1759 126.2544 142.9709 144.2001 159.9023 179.4172 192.9672 199.3873 218.8024 233.3230 242.5694 258.2285 280.1479 313.3989 319.5472 323.7089 335.7052 355.6203 371.4829 402.1903 424.1772 453.5246 455.8145 462.1390 480.5743 485.7620 488.9172 492.3889 520.9109 539.7706 568.0041 595.5477 625.5236 630.7119 653.5067 678.3414 678.6074 686.4310 715.1391 730.8191 739.3448 773.6610 773.8912 786.8187 815.4985 829.9566 841.3586 847.7060 862.0382 872.2780 875.0305 887.6249 920.4979 936.8941 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181.65 205.70 207.47 230.06 258.14 277.64 286.87 314.81 335.70 349.00 371.53 403.07 450.91 459.76 465.74 483.00 511.66 534.48 578.66 610.30 652.52 655.82 664.91 691.44 698.90 703.44 708.44 749.47 776.61 817.23 856.86 899.99 907.45 940.25 975.98 976.36 987.62 1028.93 1051.49 1063.75 1113.13 1113.46 1132.06 1173.32 1194.12 1210.53 1219.66 1240.28 1255.01 1258.97 1277.09 1324.39 1347.98 1355.05 1365.26 1373.20 1378.55 1389.28 1395.25 1397.20 1401.22 1461.87 1476.34 1494.74 1501.13 1511.02 1522.94 1554.91 1565.01 1568.98 1573.87 1581.47 1591.02 1591.51 1593.21 1597.89 1622.58 1630.09 1631.30 1635.39 1636.84 1656.34 1668.16 1671.61 1686.17 1688.82 1694.65 1707.48 1721.80 1738.92 1758.46 1770.08 1771.69 1850.12 1852.92 1861.50 1874.61 1878.23 1882.55 1883.96 1898.81 1919.50 1922.45 1930.92 1949.05 1988.98 2007.96 2009.38 2022.80 2047.53 2051.09 2070.43 2084.61 2095.40 2115.83 2125.63 2132.72 2156.97 2185.55 2200.86 2228.26 2233.99 2245.55 2270.62 2271.92 2278.48 2281.92 2320.11 2323.73 2325.18 2341.60 2346.38 2353.67 2355.88 2358.35 2363.24 2370.91 2384.26 2387.98 2404.76 2406.22 2410.31 2559.36 2565.99 2597.50 2601.27 2605.52 2655.71 2741.82 2754.53 2775.02 4612.59 4635.56 4635.90 4658.89 4672.59 4722.62 4725.44 4732.66 4736.84 4742.40 4759.06 4761.30 4762.68 4771.34 4777.84 4817.79 4824.44 4832.41 4841.62 4849.60 4855.14 4865.40 4869.85 4871.53 4884.04 4889.83 4899.41 4900.35 4960.97 4979.53 5020.98 5317.44 0.613562 0.644407 0.645351 0.544030 -1537.931382 -1537.900537 -1537.899592 -1538.000914 3.398357D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2020 DUDE CC[NH+](CC)CCC(=O)N1[C@H](CC(=N1)c2ccco2)C3=N[C@H](N=C3c4ccccc4)c5ccccc5 C19074336 RHF 6-31G(d) (6D,10F) C1 482.255601 |X|Y|Z| 104.325206 74.888206 66.630447 80.443656 27 6 7 8 22 4 1 |36.858105| |12.523870|36.858105| |7.559656|12.625006|53.358707| |7.490114|9.307931|25.716755|0.500000| |5.957924|7.624709|17.182963|0.258710|36.858105| |4.425411|4.994500|10.293971|0.207929|12.523847|36.858105| |4.994846|7.625138|17.169911|0.257833|7.634536|5.977443|36.858105| |4.437375|5.961387|10.320787|0.208795|5.009722|4.455372|12.507136|36.858105| |3.327193|4.239201|6.773660|0.132814|3.866419|3.595418|7.727008|12.524723|36.858105| |3.041275|3.901329|6.247257|0.117037|3.827199|3.560083|7.202909|8.026125|15.843044|73.516695| |2.899152|3.473499|5.256171|0.107613|3.105676|2.964592|5.141095|7.826626|14.210799|15.164899|53.358707| |2.405490|2.817199|4.140369|0.083574|2.575551|2.478080|3.864643|4.991814|7.712785|12.015337|17.752680|36.858105| |2.246084|2.623156|3.938602|0.079242|2.520731|2.474107|3.684847|4.491836|6.837499|12.133130|12.408081|17.662046|0.500000| |2.215022|2.497067|3.604370|0.074666|2.258955|2.200848|3.166276|4.068373|5.256169|7.979576|11.204130|12.333185|0.240795|36.858105| |2.522127|2.812756|4.036645|0.085711|2.453048|2.376992|3.476994|4.768687|5.594344|7.749179|12.112308|8.063645|0.165701|12.609656|36.858105| |2.982875|3.423917|5.021400|0.107328|2.927114|2.803551|4.485588|6.936911|8.025941|9.721372|18.796150|8.038258|0.166944|8.170924|15.109525|53.358707| |2.359002|2.530612|3.552679|0.076529|2.191565|2.135221|2.902704|3.778661|4.027301|5.871084|7.317140|5.053524|0.115727|7.315606|13.112550|10.875460|36.858105| |2.462195|2.559905|3.542564|0.077716|2.181342|2.125244|2.781909|3.559114|3.520933|5.170925|5.878574|3.864820|0.092036|4.871055|7.397614|8.447981|14.152668|36.858105| |2.111143|2.162505|2.968852|0.064534|1.877483|1.840307|2.300944|2.809283|2.814444|4.300393|4.561612|3.183298|0.078122|4.019066|5.200045|5.893189|8.585934|13.300571|36.858105| |1.926486|2.005370|2.770858|0.059408|1.769720|1.738327|2.188288|2.651911|2.767951|4.295067|4.585249|3.388189|0.083370|4.539044|5.418397|5.700044|8.798580|8.611387|14.188332|36.858105| |2.026046|2.157361|3.013539|0.064186|1.907564|1.869298|2.445018|3.033301|3.295418|5.047532|5.767687|4.408437|0.105199|6.646617|8.016076|7.304920|14.119700|8.618562|8.627457|14.228979|73.516695| |2.358121|2.786701|3.930756|0.077239|2.462198|2.301637|3.623428|4.382894|6.253699|10.873409|10.575869|12.584957|0.247446|7.498762|5.740400|7.842860|4.150600|3.338433|2.840367|3.018234|6.707200|36.858105| |2.587071|3.089377|4.188055|0.081385|2.569262|2.335595|3.810401|4.607016|6.031830|10.051853|9.303119|7.831901|0.163147|5.842470|5.333934|7.673605|4.057884|3.391196|2.860967|2.962382|6.398048|15.182611|53.358707| |2.321977|2.734384|3.628204|0.069710|2.302002|2.084055|3.186136|3.558304|4.330710|7.815691|6.189006|5.227444|0.124046|4.283152|3.862525|5.372663|3.197101|2.769114|2.438830|2.541319|5.295416|8.770421|17.866059|36.858105| |2.454190|2.945765|3.858068|0.072613|2.459905|2.186833|3.399181|3.631399|4.304993|8.075139|5.709192|4.503104|0.111095|3.632236|3.394872|4.908359|2.843287|2.528556|2.224508|2.277799|4.655610|6.699283|12.643041|17.514288|0.500000| |2.031663|2.363244|3.221744|0.062261|2.099933|1.943402|2.827818|3.099357|3.861405|7.296753|5.585085|5.141314|0.131589|4.194600|3.515337|4.737409|2.921401|2.502432|2.249081|2.393035|5.004421|8.466756|11.100485|13.180502|0.258235|53.358707| |2.041534|2.377757|3.330466|0.064993|2.163515|2.035464|2.981483|3.354529|4.422534|8.391293|6.717550|7.040578|0.184828|5.309206|4.088699|5.420719|3.255122|2.705946|2.407285|2.592531|5.573459|12.655557|11.446696|8.727877|0.185316|20.581295|36.858105| |1.812950|2.080920|2.962991|0.058255|1.972939|1.897134|2.615080|2.876651|3.706254|7.178368|5.563889|5.715050|0.174679|4.660089|3.517229|4.580894|2.886234|2.417546|2.197544|2.394346|5.090997|7.099008|7.030076|5.256346|0.125811|10.724975|12.852583|36.858105| |1.694107|1.939875|2.755569|0.053731|1.873905|1.802450|2.402635|2.542474|3.162458|6.307111|4.491179|4.178122|0.128058|3.494203|2.822667|3.766255|2.389885|2.062423|1.894853|2.038109|4.209897|4.984685|5.551133|4.425918|0.114010|8.805056|7.691212|13.681863|36.858105| |1.533280|1.733096|2.477045|0.048646|1.709885|1.669078|2.124738|2.227922|2.701477|5.325188|3.830159|3.454206|0.107828|3.032569|2.482686|3.289252|2.150028|1.873951|1.745294|1.882582|3.838632|3.795195|4.341004|3.357787|0.087888|6.033223|5.075501|7.913650|13.780378|36.858105| |1.475434|1.651992|2.376790|0.047222|1.638515|1.619659|2.025961|2.155756|2.603751|5.010364|3.785389|3.448607|0.109590|3.160407|2.541149|3.299288|2.218655|1.920264|1.803737|1.969298|4.028138|3.566993|4.024860|2.989261|0.076955|5.130682|4.466505|6.844423|7.935484|13.734392|36.858105| |1.550173|1.734343|2.502671|0.050136|1.701345|1.685187|2.145221|2.344465|2.877352|5.404413|4.354733|4.163544|0.134402|3.937204|3.007495|3.799523|2.594922|2.194240|2.056796|2.282843|4.773605|4.137528|4.487157|3.206455|0.080209|5.436501|5.039530|7.904241|6.874467|7.943508|13.762689|36.858105| |1.718150|1.943158|2.793541|0.055811|1.864276|1.824391|2.435102|2.723343|3.461215|6.451515|5.421856|5.680569|0.182258|5.161598|3.685004|4.602306|3.055830|2.517207|2.316004|2.578996|5.555251|5.861870|5.874601|4.098694|0.098653|7.211366|7.584729|13.703780|7.942033|6.884958|7.943390|13.751014|36.858105| |2.180348|2.486335|3.214711|0.062559|2.051221|1.859643|2.698011|3.005749|3.417383|5.941154|4.973494|4.048275|0.096757|3.720813|3.495148|4.696020|3.085999|2.732505|2.468463|2.576591|5.237635|5.710332|10.456471|12.518309|0.247045|10.492230|5.699080|4.060518|3.535675|2.840899|2.591246|2.775886|3.413622|36.858105| |1.902421|2.133379|2.768989|0.053990|1.808757|1.654756|2.284319|2.479607|2.782030|4.940088|4.004810|3.288061|0.082085|3.096787|2.865402|3.796873|2.605862|2.338585|2.174398|2.290606|4.560296|4.361390|6.955635|7.550486|0.176579|9.035853|4.837411|3.777597|3.458798|2.829295|2.555690|2.675709|3.188648|13.706470|36.858105| |1.782687|1.957466|2.515946|0.049430|1.653000|1.516539|2.027885|2.192662|2.388678|4.185449|3.439370|2.754177|0.069217|2.693353|2.559316|3.364482|2.415485|2.215953|2.104680|2.209643|4.284985|3.419805|5.336103|5.013301|0.124913|6.126927|3.636142|3.023869|2.808460|2.397287|2.213001|2.313466|2.675756|7.915036|13.755223|36.858105| |1.864579|2.020906|2.562942|0.050711|1.668793|1.526285|2.036587|2.225011|2.368084|4.057489|3.428238|2.670936|0.066203|2.674270|2.634818|3.459417|2.551193|2.384358|2.276783|2.361213|4.503193|3.212055|5.115126|4.423108|0.111279|5.129172|3.211730|2.676038|2.448409|2.119750|1.993514|2.109994|2.433198|6.838311|7.927585|13.750762|36.858105| |2.123477|2.312554|2.903056|0.057589|1.852896|1.681996|2.312645|2.580576|2.722981|4.557866|3.977017|3.031755|0.073179|3.044663|3.097865|4.096327|2.995244|2.805448|2.620847|2.677774|5.150150|3.649915|6.119770|5.005026|0.124015|5.357855|3.429491|2.770611|2.474842|2.124244|2.009814|2.157528|2.528172|7.912643|6.883693|7.959513|13.759633|36.858105| |2.336174|2.621003|3.314658|0.065221|2.081596|1.877509|2.718504|3.090637|3.357312|5.589932|4.938999|3.795771|0.088960|3.670012|3.694884|4.964793|3.385447|3.069289|2.760374|2.826605|5.652072|4.874130|9.043812|7.527390|0.174171|6.994040|4.380494|3.315152|2.885584|2.407243|2.255811|2.442052|2.947011|13.714689|7.948666|6.886626|7.929774|13.746127|36.858105| |17.554398|8.795630|9.277741|0.218523|5.188326|4.237534|4.756726|4.590429|3.376650|5.330251|4.099560|2.466549|0.063586|2.313275|2.696242|4.363059|2.559019|2.728905|2.315101|2.077584|3.858132|2.371382|3.517041|2.281865|0.065811|2.723669|2.030842|1.807432|1.673151|1.518459|1.473849|1.561337|1.732241|2.154991|1.874502|1.762930|1.856256|2.126904|2.333117|0.500000| |17.590154|8.944391|7.537860|0.148577|4.619763|3.572752|4.154833|3.824448|3.007535|4.927131|3.645523|2.269464|0.058543|2.107834|2.387676|3.771204|2.260391|2.368126|2.055362|1.876727|3.484270|2.268610|3.434056|2.304567|0.067902|2.722139|1.982272|1.752365|1.642288|1.484192|1.423708|1.492030|1.653937|2.205915|1.932542|1.828798|1.930027|2.201919|2.391611|0.302622|0.500000| |17.592667|8.719618|9.174275|0.185775|6.409012|4.793663|4.444907|3.816477|2.961821|4.927303|3.520686|2.181504|0.057446|2.012128|2.255991|3.577584|2.118634|2.204390|1.918252|1.761084|3.278112|2.130280|3.129629|2.090074|0.061390|2.532827|1.873715|1.687724|1.591947|1.453476|1.400370|1.462619|1.605043|1.960681|1.735002|1.630427|1.693416|1.900858|2.073549|0.300282|0.302965|0.500000| |8.764464|17.623483|12.416566|0.183199|7.427985|4.693098|6.637443|4.941072|3.845827|6.629620|4.286181|2.639760|0.069066|2.316861|2.538851|4.111406|2.280923|2.279678|1.958586|1.840079|3.520066|2.674713|4.040630|2.710163|0.082935|3.204103|2.336200|2.050378|1.939946|1.732227|1.635053|1.697528|1.892998|2.456718|2.131026|1.951424|1.995856|2.255326|2.547826|0.172164|0.211878|0.208015|0.500000| |8.869714|17.665253|12.358185|0.211124|5.634949|4.139812|7.576798|6.899138|4.816104|7.578963|5.398502|3.159668|0.079681|2.788688|3.192908|5.388257|2.842271|2.861650|2.378770|2.201770|4.246769|3.168095|4.935328|3.140890|0.093893|3.586343|2.638251|2.257183|2.076059|1.832442|1.743687|1.844540|2.095399|2.854271|2.392662|2.181964|2.270617|2.652877|3.063015|0.212098|0.215418|0.172556|0.302759|0.500000| |6.903579|7.564161|12.353220|0.211690|17.661651|8.870856|5.634763|4.146766|3.268692|5.696057|3.707018|2.297565|0.062076|2.054167|2.239024|3.577297|2.040175|2.058137|1.789685|1.677730|3.177506|2.222222|3.185299|2.127206|0.063122|2.633447|1.971804|1.799836|1.716358|1.572527|1.507985|1.561837|1.703780|1.931679|1.716167|1.585351|1.610697|1.784329|1.978138|0.156784|0.146409|0.237971|0.212620|0.148479|0.500000| |4.948362|6.641859|12.419733|0.183203|17.624763|8.768425|7.438482|4.698838|3.863923|7.153533|4.164210|2.588926|0.070993|2.230800|2.370659|3.814906|2.097605|2.058450|1.783197|1.700404|3.277168|2.523238|3.582879|2.395248|0.072255|2.989115|2.248026|2.050786|1.970482|1.791841|1.698601|1.747061|1.913045|2.108884|1.866425|1.693509|1.693093|1.867275|2.108031|0.118115|0.114365|0.143484|0.206671|0.145067|0.302351|0.500000| |3.818746|4.154214|7.539818|0.148582|8.945437|17.590126|4.630385|3.590642|3.047333|5.483393|3.495990|2.207924|0.061718|1.973939|2.101837|3.303463|1.906307|1.896882|1.667095|1.583311|3.009357|2.075082|2.857491|1.907120|0.055735|2.444489|1.870115|1.761290|1.693759|1.581815|1.532854|1.580514|1.693544|1.712520|1.541490|1.418843|1.423131|1.553887|1.719895|0.100083|0.088733|0.118397|0.113852|0.096859|0.215496|0.211886|0.500000| |3.807527|4.448072|9.182101|0.185367|8.725867|17.597886|6.441995|4.835509|4.034277|7.232342|4.447773|2.718229|0.076618|2.378143|2.539380|4.097658|2.242368|2.197386|1.894491|1.805026|3.488046|2.478986|3.361798|2.182520|0.063298|2.799965|2.185139|2.051927|1.944370|1.802382|1.753944|1.829210|1.980111|1.919956|1.704777|1.550284|1.550076|1.705881|1.919260|0.103387|0.087750|0.109211|0.116163|0.108245|0.172631|0.208380|0.302961|0.500000| |4.568761|4.754431|9.282892|0.218627|8.794517|17.553398|5.203792|4.271599|3.385452|5.754462|3.918894|2.393983|0.065870|2.174093|2.388956|3.825610|2.181128|2.206457|1.909290|1.783723|3.379601|2.199657|3.040550|1.982130|0.057130|2.509403|1.934500|1.804184|1.701731|1.581243|1.547496|1.621317|1.753462|1.790959|1.593970|1.471542|1.492196|1.649492|1.828408|0.128044|0.101011|0.139083|0.118378|0.110846|0.212087|0.172191|0.302594|0.300167|0.500000| |4.132614|5.631349|12.306900|0.209654|7.569904|6.910962|17.699045|8.868979|7.038249|13.011448|6.531741|3.736801|0.103432|3.047025|3.248670|5.543946|2.714305|2.579301|2.162908|2.077963|4.129841|3.417784|4.684098|2.924923|0.085990|3.663083|2.883668|2.606372|2.420407|2.168303|2.076109|2.186505|2.448711|2.466608|2.125568|1.887275|1.876630|2.098165|2.442638|0.110607|0.096773|0.107959|0.145104|0.148653|0.148495|0.213625|0.146675|0.238660|0.156694|0.500000| |4.691862|7.425433|12.373453|0.182801|6.601906|4.937139|17.659907|8.777358|7.028650|13.100056|6.505141|3.795355|0.100228|3.052300|3.256610|5.542854|2.721873|2.584879|2.168402|2.084290|4.143359|3.781763|5.568956|3.514930|0.108258|4.182501|3.164797|2.728505|2.537772|2.213864|2.073180|2.170121|2.475165|2.923169|2.464832|2.164692|2.155398|2.441279|2.900504|0.118510|0.113893|0.115878|0.205886|0.213962|0.144221|0.204930|0.114039|0.143472|0.117989|0.303878|0.500000| |4.861371|6.466888|9.295000|0.189468|4.479590|3.848033|8.722171|17.592008|8.957387|11.042013|9.640848|4.734078|0.113134|4.042982|4.964062|9.845917|4.039707|3.892584|3.020441|2.804307|5.659050|4.383860|6.714253|3.769053|0.106435|4.285294|3.320708|2.780072|2.446573|2.131716|2.057455|2.240686|2.618333|3.272356|2.646914|2.356317|2.435062|2.894097|3.494383|0.141992|0.119552|0.110486|0.143586|0.239311|0.108919|0.116369|0.088435|0.110385|0.104859|0.172666|0.207000|0.500000| |4.242933|5.184040|9.303439|0.219273|4.780171|4.618073|8.787726|17.553191|8.892569|11.014004|9.578702|4.590693|0.117329|3.993922|4.858886|9.598889|3.958635|3.816401|2.972692|2.762551|5.567707|3.829608|5.287283|3.062552|0.085079|3.729401|2.996628|2.649630|2.342336|2.092390|2.060381|2.256560|2.583027|2.660360|2.236096|2.007064|2.047902|2.357688|2.757459|0.128360|0.100073|0.103629|0.117961|0.156140|0.111262|0.118812|0.101878|0.140928|0.129660|0.211966|0.172313|0.304153|0.500000| |2.047986|2.280379|3.338267|0.069716|2.133757|2.121966|2.893601|3.611704|4.527430|7.117777|8.796424|8.662736|0.222018|17.568243|8.911630|8.707175|6.429532|4.485610|3.863699|4.458767|11.334899|5.621432|6.078346|3.525191|0.085447|4.881091|4.502484|4.343265|3.334682|3.008610|3.253852|4.161195|5.194553|3.112415|2.692059|2.381056|2.353554|2.617996|3.050673|0.059555|0.053900|0.052315|0.058939|0.069353|0.053936|0.058383|0.053188|0.064118|0.058491|0.079291|0.076608|0.097065|0.101851|0.500000| |2.063065|2.304418|3.249895|0.066809|2.057128|1.987049|2.798250|3.468675|4.299037|6.802332|8.175423|8.622389|0.183357|17.622028|8.817014|8.302541|6.634304|4.549065|3.975267|4.697722|12.285666|7.321934|8.036699|4.564773|0.103449|6.176314|5.641173|4.873366|3.594600|3.097594|3.225595|4.048697|5.416421|4.141772|3.468757|3.015406|2.982967|3.378230|4.058260|0.059504|0.055292|0.052113|0.060018|0.071601|0.052557|0.056749|0.049995|0.058963|0.054471|0.074306|0.076499|0.098363|0.093154|0.302061|0.500000| |2.794188|2.864077|3.946106|0.088237|2.387849|2.315665|3.032865|3.927500|3.663211|5.300192|5.867090|3.646454|0.087485|4.261482|6.367880|8.523007|8.823854|17.812386|8.460557|5.858319|10.448015|3.178803|4.487299|2.691406|0.069630|3.266344|2.568507|2.282707|1.972195|1.789703|1.816733|2.048139|2.337457|2.636227|2.246662|2.127957|2.295768|2.715692|2.978133|0.088074|0.074147|0.068729|0.069489|0.089281|0.062798|0.061720|0.056888|0.065898|0.067549|0.077013|0.077105|0.122118|0.119612|0.108529|0.108414|0.500000| |2.034289|2.045651|2.786600|0.060752|1.779045|1.746853|2.118594|2.530575|2.486925|3.849387|3.903746|2.712433|0.067686|3.281169|4.067375|4.877513|5.847966|8.466307|17.810219|8.819203|10.454888|2.466028|3.409543|2.181191|0.055948|2.742296|2.129870|1.958303|1.714491|1.590049|1.639030|1.846404|2.050637|2.227040|1.988353|1.949500|2.121084|2.418116|2.494369|0.062205|0.055340|0.051632|0.051557|0.061929|0.047555|0.046780|0.044198|0.049538|0.050644|0.055399|0.055526|0.075567|0.074500|0.088461|0.090466|0.193224|0.500000| |1.740702|1.806574|2.491733|0.053095|1.613115|1.588795|1.960977|2.325077|2.441006|3.868349|3.967386|3.007368|0.075585|3.936612|4.326988|4.702293|6.043221|5.821851|8.608668|17.839236|16.535823|2.735342|3.629385|2.350329|0.058570|3.064498|2.425164|2.280302|1.957780|1.828119|1.926380|2.229608|2.478710|2.407933|2.188713|2.135681|2.272111|2.519958|2.608954|0.051740|0.047311|0.044546|0.046491|0.054660|0.042631|0.043273|0.040519|0.045788|0.045159|0.052110|0.052273|0.067696|0.066808|0.110113|0.116512|0.123171|0.195159|0.500000| |1.731571|1.995070|2.805793|0.054136|1.914769|1.819150|2.442840|2.535882|3.111417|6.296371|4.285010|3.822658|0.113315|3.164064|2.648864|3.602540|2.255708|1.973228|1.808064|1.921933|3.928433|4.741504|5.603696|4.747939|0.127942|9.596200|7.164284|8.930051|17.746490|8.915114|5.643207|4.955082|5.654572|3.731100|3.702285|2.954845|2.536826|2.545812|2.978270|0.047089|0.046843|0.045197|0.056053|0.059312|0.048829|0.056477|0.047629|0.054190|0.047413|0.067919|0.073056|0.068194|0.064037|0.082392|0.090153|0.052923|0.045705|0.051137|0.500000| |1.458240|1.642543|2.340145|0.045803|1.634272|1.595169|1.986742|2.046954|2.431415|4.810476|3.379647|2.940179|0.090371|2.601552|2.192646|2.934698|1.924121|1.701502|1.591633|1.703217|3.425268|3.220330|3.819878|2.996994|0.080456|5.213696|4.134978|5.637798|8.939545|17.725102|8.909116|5.648362|4.958812|2.581984|2.612263|2.243766|1.981574|1.967974|2.202374|0.039928|0.039302|0.038607|0.045941|0.047900|0.041927|0.047808|0.042323|0.047663|0.041864|0.056484|0.057773|0.054457|0.053435|0.071635|0.073503|0.045439|0.040599|0.046067|0.215161|0.500000| |1.372719|1.524704|2.195014|0.043742|1.527632|1.520541|1.848485|1.949830|2.307714|4.413558|3.325349|2.934041|0.092224|2.747844|2.265205|2.947385|2.013354|1.764196|1.672361|1.821097|3.672250|2.978609|3.451894|2.560095|0.066745|4.245983|3.567496|4.937619|5.645918|8.907437|17.723446|8.919398|5.648271|2.267745|2.255341|1.991078|1.806825|1.812802|2.005222|0.038108|0.036808|0.036390|0.041969|0.044393|0.039215|0.043920|0.040225|0.045649|0.040449|0.052858|0.052304|0.051679|0.052221|0.079562|0.077517|0.046469|0.042521|0.049831|0.124099|0.214747|0.500000| |1.484062|1.644069|2.378070|0.048058|1.620412|1.619570|2.015906|2.213539|2.668676|4.912504|4.077156|3.799414|0.121205|3.803570|2.934503|3.652281|2.586276|2.190710|2.079472|2.330515|4.846508|3.607855|4.001395|2.812085|0.070614|4.562334|4.102253|5.633891|4.953314|5.646027|8.913630|17.723234|8.924868|2.498151|2.407690|2.126682|1.968863|2.016864|2.251540|0.041763|0.039634|0.038995|0.044468|0.048393|0.041449|0.045875|0.042244|0.048793|0.043597|0.057199|0.055991|0.058802|0.060119|0.116694|0.108186|0.056411|0.051912|0.063877|0.107570|0.124119|0.214842|0.500000| |1.772294|1.994086|2.866700|0.057872|1.889820|1.853251|2.492471|2.868080|3.650299|6.511602|6.051351|6.688283|0.204961|6.808528|4.423648|5.256685|3.617086|2.881868|2.644291|3.006791|6.700781|6.294235|6.197779|4.083676|0.096294|6.697479|6.953582|8.877863|5.638208|4.959283|5.661662|8.965183|17.723637|3.478860|3.171272|2.695865|2.504780|2.647477|3.093370|0.050098|0.047329|0.045755|0.053343|0.060128|0.048011|0.053287|0.047465|0.055797|0.049914|0.069047|0.069402|0.077159|0.076446|0.195509|0.205054|0.072960|0.064023|0.079852|0.124081|0.107642|0.124498|0.216861|0.500000| |1.798674|2.024301|2.660732|0.051696|1.759796|1.619227|2.208569|2.363751|2.687429|4.889418|3.830325|3.202217|0.082129|2.959619|2.673292|3.551279|2.408277|2.152805|2.006858|2.124293|4.238671|4.255814|6.391350|7.024985|0.171161|10.192380|5.151470|4.150569|3.952051|3.182475|2.798084|2.865739|3.388670|8.919218|17.750797|8.925831|5.645878|4.960192|5.653258|0.049040|0.050441|0.045954|0.056581|0.062285|0.046226|0.050813|0.042110|0.046564|0.043102|0.057840|0.066413|0.068745|0.059321|0.072655|0.091275|0.057461|0.051063|0.056729|0.120899|0.082067|0.068165|0.070497|0.090644|0.500000| |1.628325|1.775558|2.293525|0.045100|1.525339|1.407508|1.836926|1.963339|2.131362|3.769483|3.049602|2.444807|0.062596|2.398673|2.265653|2.974876|2.154640|1.988547|1.910936|2.011694|3.862209|2.966773|4.467372|4.093447|0.104934|5.336695|3.227802|2.798862|2.667841|2.321010|2.140688|2.206677|2.497411|5.640196|8.935941|17.718542|8.912678|5.653462|4.959183|0.044663|0.046380|0.041716|0.049403|0.054308|0.040757|0.043488|0.036804|0.039949|0.037932|0.047924|0.054328|0.057972|0.050308|0.059995|0.074142|0.053046|0.049547|0.054615|0.078142|0.061092|0.053998|0.056533|0.069098|0.215796|0.500000| |1.743456|1.861969|2.357968|0.046869|1.547720|1.421557|1.848647|2.005256|2.105664|3.606748|3.036082|2.343207|0.058745|2.374929|2.360702|3.093905|2.332545|2.216849|2.154678|2.226051|4.156919|2.732700|4.240512|3.539557|0.091117|4.250868|2.732962|2.347147|2.173309|1.917402|1.817818|1.915421|2.170119|4.934064|5.640358|8.907302|17.718573|8.909299|5.640551|0.048309|0.050356|0.044229|0.051099|0.057553|0.041767|0.043476|0.036980|0.039944|0.038760|0.047528|0.053996|0.060738|0.051816|0.058991|0.073040|0.059380|0.056512|0.060154|0.062261|0.050178|0.046243|0.050132|0.062055|0.124152|0.214649|0.500000| 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