Version2.1 2020-12-19T08:44:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCn1c2ccc(cc2[nH]c1=O)[C@H]3N[C@H](ON3)[C@@H](C(C)C)NS(=O)(=O)c4ccc(cc4)C C64891175 RHF 6-31G(d) (6D,7F) CCCn1c2ccc(cc2[nH]c1=O)[C@H]3N[C@H](ON3)[C@@H](C(C)C)NS(=O)(=O)c4ccc(cc4)C C01[X(C23H31N5O4S1)] 186 C1 561 CCCn1c(=O)[nH]c2c1ccc(c2)[C@@H]1NO[C@@H](N1)[C@@H](C(C)C)NS(=O)(=O)c1ccc(cc1)C CCCn1c(=O)[nH]c2c1ccc(c2)[C@@H]1NO[C@@H](N1)[C@@H](C(C)C)NS(=O)(=O)c1ccc(cc1)C CCCN1C(=O)Nc2cc(ccc12)[C@@H]3NO[C@@H](N3)[C@H](N[S](=O)(=O)c4ccc(C)cc4)C(C)C InChIKey=YIZANYOATDEWLM-BHIFYINESA-N InChI=1S/C23H31N5O4S/c1-5-12-28-19-11-8-16(13-18(19)24-23(28)29)21-25-22(32-26-21)20(14(2)3)27-33(30,31)17-9-6-15(4)7-10-17/h6-11,13-14,20-22,25-27H,5,12H2,1-4H3,(H,24,29)/t20-,21+,22-/m1/s1 InChI=1/C23H31N5O4S/c1-5-12-28-19-11-8-16(13-18(19)24-23(28)29)21-25-22(32-26-21)20(14(2)3)27-33(30,31)17-9-6-15(4)7-10-17/h6-11,13-14,20-22,25-27H,5,12H2,1-4H3,(H,24,29)/t20-,21+,22-/m1/s1/f/h24H CCCn1c2ccc(cc2[nH]c1=O)[C@H]3N[C@H](ON3)[C@@H](C(C)C)NS(=O)(=O)c4ccc(cc4)C C01[X(C23H31N5O4S1)] 186 C01 561 CCCn1c(=O)[nH]c2c1ccc(c2)[C@@H]1NO[C@@H](N1)[C@@H](C(C)C)NS(=O)(=O)c1ccc(cc1)C CCCN1C(=O)N[C]2[C]1[CH][CH][C]([CH]2)[C@@H]1NO[C@@H](N1)[C@@H](C(C)C)NS(=O)(=O)[C]1[CH][CH][C]([CH][CH]1)C CCCN1[C]2[CH][CH][C]([CH][C]2NC1=O)[C@@H]3NO[C@@H](N3)[C@H](N[S](=O)(=O)[C]4[CH][CH][C](C)[CH][CH]4)C(C)C InChIKey=YIZANYOATDEWLM-BHIFYINESA-N InChI=1S/C23H31N5O4S/c1-5-12-28-19-11-8-16(13-18(19)24-23(28)29)21-25-22(32-26-21)20(14(2)3)27-33(30,31)17-9-6-15(4)7-10-17/h6-11,13-14,20-22,25-27H,5,12H2,1-4H3,(H,24,29)/t20-,21+,22-/m1/s1 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1.00783 1.00783 9986.6848 33408.5701 39232.2422 0.99981 -0.01610 -0.01096 0.01601 0.99983 -0.00883 0.01110 0.00866 0.99990 1 0.00867 0.00259 0.00221 0.18071 0.05402 0.04600 10.71 11.96 29.97 32.94 40.01 56.77 62.52 69.26 74.46 113.88 128.73 132.89 140.53 176.83 190.41 199.66 228.32 251.44 268.12 295.52 311.77 329.25 343.76 352.95 368.72 379.52 414.50 427.15 435.65 448.04 463.83 490.08 498.68 516.10 533.32 552.94 586.90 609.37 633.82 654.95 661.80 674.56 695.82 727.73 742.70 771.47 828.45 849.75 867.33 893.36 934.28 942.12 958.98 1002.12 1020.63 1041.63 1053.47 1110.07 1131.77 1153.33 1160.88 1175.88 1197.78 1233.48 1258.37 1271.24 1303.22 1331.71 1351.47 1360.85 1376.64 1395.47 1401.44 1412.16 1433.70 1463.18 1480.25 1504.12 1512.78 1524.15 1533.86 1546.36 1575.03 1579.74 1601.69 1603.17 1606.41 1610.64 1643.65 1655.25 1688.67 1699.59 1720.77 1735.33 1751.21 1758.51 1762.24 1767.44 1791.35 1795.68 1820.16 1836.01 1836.48 1867.52 1878.33 1885.19 1892.33 1894.76 1913.66 1926.82 1942.61 2017.33 2029.58 2032.66 2070.93 2093.71 2099.20 2100.86 2104.05 2117.80 2131.61 2153.63 2173.69 2181.76 2194.83 2223.81 2235.53 2244.18 2249.66 2251.15 2255.57 2259.15 2273.04 2277.79 2303.88 2320.61 2346.26 2347.36 2351.88 2355.72 2357.89 2359.19 2365.94 2365.96 2367.10 2374.22 2381.11 2389.25 2413.73 2417.38 2543.91 2594.16 2602.57 2639.40 2851.02 4568.38 4596.85 4602.86 4604.23 4613.35 4616.72 4620.77 4649.83 4666.01 4677.33 4683.48 4686.00 4697.77 4698.12 4706.85 4708.59 4719.17 4733.07 4740.61 4765.30 4841.56 4849.42 4854.88 4867.45 4901.26 4910.12 4911.72 5344.61 5489.18 5551.70 5636.99 0.572450 0.603260 0.604205 0.504180 -1857.560830 -1857.530020 -1857.529076 -1857.629100 3.354821D-04 MUNgauss RevisionA2.0 retrievium 19-Dec-2020 DUDE CCCn1c2ccc(cc2[nH]c1=O)[C@H]3N[C@H](ON3)[C@@H](C(C)C)NS(=O)(=O)c4ccc(cc4)C C64891175 RHF 6-31G(d) (6D,10F) C1 473.209677 |X|Y|Z| 67.836645 36.191805 130.683461 68.459188 23 6 7 8 16 16 5 1 1 |36.858105| |12.468505|36.858105| |7.524415|12.468379|36.858105| |4.971922|7.664795|13.142382|53.358707| |4.040849|5.696014|7.492799|18.670349|36.858105| |3.849659|5.046035|5.969375|10.267417|13.874186|36.858105| |3.030842|3.739015|4.171173|6.958220|8.025115|13.643995|36.858105| |2.641582|3.244566|3.615198|6.283957|6.893803|7.855405|13.767003|36.858105| |2.701681|3.399935|3.884953|7.307698|7.885990|6.766374|7.895549|13.601487|36.858105| |3.229831|4.289423|5.210660|11.566139|13.627632|7.912780|6.949271|8.016333|13.911648|36.858105| |3.252821|4.315253|5.310580|11.829146|8.560506|5.392743|4.646004|5.112175|7.560684|13.745009|53.358707| |2.844900|3.617468|4.251301|8.260159|5.965242|4.273556|3.911746|4.461789|6.528077|8.903037|26.103564|0.500000| |4.045205|5.650326|7.681601|18.855100|8.414205|5.269350|4.160597|4.149775|5.266812|8.388715|18.902638|0.255095|36.858105| |3.974824|5.205309|6.585608|11.253489|5.563264|4.016416|3.303636|3.297545|4.017237|5.554202|11.262274|0.201958|15.901958|73.516695| |2.200578|2.597257|2.811202|4.603095|4.455852|4.985465|7.522998|12.597593|7.628466|5.079975|5.174441|0.098429|3.167740|4.716945|36.858105| |2.090080|2.467090|2.622076|4.294077|4.013872|4.240512|5.748794|8.916635|7.118784|4.762189|5.064514|0.099259|3.052487|4.602476|17.490418|0.500000| |2.106528|2.426552|2.567706|4.011820|3.753726|4.471563|6.645445|7.634111|5.058812|3.912670|4.175890|0.079194|2.696765|4.102047|13.186365|0.250617|53.358707| |1.821246|2.057996|2.176676|3.350669|2.997994|3.393640|4.514424|5.202923|4.000566|3.179756|3.566179|0.069423|2.312659|3.597157|8.384078|0.201113|17.969192|36.858105| |1.723840|1.943950|2.028119|3.114259|2.740178|3.025665|3.878706|4.517777|3.674361|2.943102|3.369001|0.066447|2.180772|3.422791|6.917018|0.197652|12.261830|17.517344|0.500000| |1.787072|2.026114|2.190313|3.420672|3.049765|3.332109|4.327626|5.301370|4.301585|3.344970|3.775803|0.074425|2.404702|3.738618|8.481003|0.201236|11.553388|13.471210|0.260820|73.516695| |1.999258|2.314714|2.558325|4.133448|3.825571|4.121075|5.559784|7.772565|6.108190|4.376685|4.719394|0.092019|2.907563|4.412396|13.103802|0.257603|11.554802|8.237258|0.178543|24.046274|53.358707| |1.706719|1.887878|1.986784|2.972991|2.593440|2.970111|3.762566|3.942197|3.146492|2.651660|3.046874|0.059180|2.033667|3.207880|5.248902|0.127804|10.429619|12.390919|0.246445|13.894132|7.407593|36.858105| |1.804904|1.990601|2.111446|3.137567|2.752266|3.232753|4.118293|4.100495|3.208845|2.748144|3.131613|0.060123|2.112521|3.318684|5.135909|0.118804|10.187654|8.955683|0.176211|12.001787|7.256611|17.583038|0.500000| |1.526420|1.671696|1.768802|2.631764|2.242606|2.489802|3.015071|3.200760|2.705651|2.317473|2.734248|0.053851|1.830038|2.925209|4.077178|0.103642|6.802730|7.401449|0.178565|12.050520|6.314709|12.335828|0.247611|36.858105| |1.410680|1.544815|1.621261|2.417876|2.036194|2.207586|2.626646|2.858411|2.500823|2.140229|2.566955|0.051253|1.708765|2.753386|3.645495|0.098805|5.723409|6.133020|0.178733|10.350475|5.540098|7.376832|0.151795|12.414348|36.858105| |1.440830|1.554225|1.636901|2.390116|2.002119|2.228079|2.615197|2.669676|2.293989|2.027003|2.425339|0.047655|1.653705|2.668692|3.183878|0.081177|5.212074|4.853848|0.121565|7.966907|4.761898|7.485151|0.195110|12.429080|7.529540|36.858105| |1.646962|1.805900|1.859931|2.743539|2.358454|2.698250|3.322031|3.384504|2.760893|2.381111|2.773467|0.053928|1.874573|2.981561|4.262400|0.110005|8.254558|7.774751|0.207435|9.200655|5.522023|12.970305|0.252979|7.701258|6.242805|6.335616|53.358707| |1.741113|1.892571|1.915789|2.776027|2.373308|2.774343|3.348801|3.216572|2.619389|2.324562|2.710198|0.052139|1.866050|2.972100|3.752374|0.096389|7.120427|5.341807|0.141387|6.916191|4.610342|6.877691|0.185629|4.815570|4.079336|4.585284|15.900601|388.023441| |1.582774|1.702909|1.704103|2.448879|2.051220|2.337960|2.725655|2.657325|2.247487|2.021289|2.405921|0.046712|1.665603|2.684790|3.044754|0.081324|5.329841|4.108368|0.116581|5.652980|3.794088|4.959932|0.128282|4.003461|3.702826|3.976022|10.703963|94.652896|73.516695| |1.979269|2.183117|2.191772|3.197042|2.789719|3.356450|4.170294|3.879432|3.050899|2.696900|3.079672|0.058521|2.117136|3.330417|4.423924|0.112042|8.777752|5.551324|0.144244|7.108845|5.028214|5.960282|0.168660|4.088508|3.519162|3.695356|10.428818|94.623229|13.596726|73.516695| |1.735200|1.854054|1.892797|2.691298|2.271821|2.679586|3.134792|2.897352|2.389132|2.175813|2.557420|0.048948|1.791021|2.867792|3.211121|0.080329|5.734952|4.214402|0.105586|6.024730|4.133347|5.633169|0.179933|4.419647|3.531504|4.780319|9.440177|76.573764|13.039636|13.140117|36.858105| |1.557451|1.643541|1.674562|2.361107|1.955287|2.251850|2.560409|2.406917|2.046423|1.883802|2.255533|0.043522|1.588242|2.572438|2.646674|0.067620|4.481160|3.418378|0.088398|5.119917|3.498591|4.491314|0.135600|3.978509|3.301835|4.714547|7.397439|49.537825|11.446434|8.853157|13.709435|36.858105| |1.522430|1.587746|1.624342|2.264063|1.852831|2.124183|2.360735|2.197266|1.894245|1.770006|2.137915|0.041223|1.520349|2.476531|2.357446|0.060024|3.854660|2.898124|0.074364|4.534186|3.166633|3.661804|0.113379|3.404806|2.838293|4.123085|5.494302|33.710734|7.838480|6.847273|7.965259|13.807542|36.858105| |1.639768|1.701627|1.753106|2.423131|1.981613|2.297977|2.525701|2.297250|1.974319|1.864639|2.245675|0.042999|1.609810|2.616726|2.406863|0.060355|3.892393|2.836215|0.071270|4.522524|3.240047|3.484979|0.112751|3.192514|2.618462|3.728126|4.918753|29.766209|6.542945|6.566894|6.847584|7.888724|13.662730|36.858105| |1.850525|1.938132|2.007397|2.783143|2.312771|2.757522|3.072005|2.712511|2.276873|2.146255|2.542696|0.048203|1.821577|2.928584|2.809851|0.068941|4.638244|3.248472|0.079540|5.113614|3.725529|3.951703|0.134834|3.411355|2.732269|3.764313|5.417910|33.643414|6.831731|7.881863|7.962549|6.877477|7.963821|13.725260|36.858105| |1.918100|2.046582|2.109042|2.976129|2.528377|3.065628|3.569562|3.149597|2.562565|2.364357|2.752940|0.052085|1.945573|3.096155|3.352049|0.081412|5.894947|4.048690|0.097656|6.013662|4.311750|5.071240|0.178503|3.990704|3.138511|4.195821|7.224122|49.462554|8.848964|11.586332|13.764648|7.913275|6.878721|7.889337|13.742800|36.858105| |1.558309|1.594605|1.646244|2.248272|1.807122|2.063136|2.208898|2.015773|1.769851|1.696003|2.071578|0.039771|1.499405|2.459954|2.075848|0.052470|3.241495|2.360342|0.059905|3.883392|2.826342|2.793931|0.088329|2.655173|2.237435|3.079663|3.852004|22.350959|5.099885|5.110307|4.438635|5.020410|7.562617|12.616187|7.544686|5.008797|36.858105| |17.563796|8.792462|5.480233|5.586628|3.505423|3.401682|2.776079|2.445552|2.483955|2.898187|3.959547|0.071930|3.489446|6.136595|2.073374|0.055237|2.727490|1.740799|0.046142|3.010298|2.549951|1.636312|0.047791|1.463128|1.360132|1.384666|2.174031|12.096182|2.774930|3.438044|1.686378|1.519501|1.481950|1.586053|1.778351|1.847679|1.506472|0.500000| |17.541473|8.774211|6.826382|6.253559|3.637035|3.369562|2.709321|2.417040|2.511985|3.005765|4.258399|0.077175|3.956840|7.288241|2.034321|0.053901|2.632699|1.694313|0.044636|2.986376|2.555263|1.590481|0.046591|1.438177|1.334481|1.360445|2.080724|11.382369|2.598984|3.195182|1.599375|1.447364|1.420986|1.528203|1.709683|1.759214|1.463610|0.301896|0.500000| |17.530552|8.762450|6.801598|6.251278|3.924793|3.940521|3.099516|2.639780|2.634440|3.092753|4.115895|0.073452|3.651333|6.227100|2.209323|0.057576|2.920257|1.853058|0.048358|3.221379|2.746378|1.756281|0.052083|1.567984|1.436623|1.490355|2.305174|12.824273|2.900214|3.639851|1.824754|1.636293|1.610929|1.753354|1.990359|2.042850|1.673422|0.301908|0.301454|0.500000| |8.838147|17.551352|8.916556|9.536041|5.161800|4.358002|3.395626|3.079875|3.330870|4.216345|6.119470|0.106756|5.989421|10.417102|2.495036|0.067126|3.134237|1.971732|0.052305|3.465013|3.026787|1.794591|0.051974|1.598469|1.493646|1.480041|2.343627|12.732504|2.889564|3.653655|1.732890|1.544348|1.485655|1.576731|1.778778|1.885786|1.477306|0.212101|0.210579|0.172634|0.500000| |8.838331|17.532252|8.857531|9.529941|6.097708|5.861953|4.274006|3.583674|3.632863|4.467340|5.721831|0.097576|5.068518|7.873143|2.839583|0.074638|3.653856|2.234080|0.058568|3.846007|3.358010|2.042269|0.059904|1.781572|1.640428|1.650799|2.677605|14.844457|3.319706|4.362704|2.029014|1.778921|1.705408|1.825774|2.099171|2.246244|1.692167|0.212313|0.172744|0.210155|0.303329|0.500000| |6.880014|8.801747|17.561390|12.575092|6.992252|6.426060|4.392280|3.639624|3.730531|4.760353|6.166157|0.102847|5.824327|8.908922|2.844742|0.072212|3.604746|2.238780|0.057256|3.994950|3.558062|2.071414|0.062013|1.839527|1.665088|1.714552|2.627277|14.221524|3.136625|4.062159|2.011075|1.773709|1.733200|1.894471|2.190699|2.279435|1.784185|0.140389|0.169947|0.203683|0.173826|0.209935|0.500000| |6.839925|8.840240|17.628787|12.688560|5.706993|4.591818|3.466423|3.128782|3.424397|4.490721|6.725391|0.114561|7.436577|13.357144|2.507713|0.065623|3.112495|1.980035|0.051514|3.581015|3.179160|1.817594|0.053407|1.642300|1.514870|1.526919|2.314337|12.357271|2.771976|3.480209|1.723583|1.542216|1.504358|1.620040|1.833178|1.906527|1.536221|0.140210|0.203012|0.167495|0.214259|0.173711|0.302773|0.500000| |4.359024|5.513676|6.298420|9.028872|8.896512|17.733992|8.862013|5.611536|4.897783|5.617873|5.939674|0.099208|4.576765|6.543264|4.069888|0.097837|5.320817|3.052440|0.075942|5.239729|4.738159|2.781784|0.085178|2.344683|2.069161|2.147149|3.505763|19.362871|4.099245|5.839115|2.705596|2.280324|2.177740|2.391459|2.895521|3.161524|2.162102|0.105610|0.102821|0.129988|0.124219|0.183780|0.208498|0.131245|0.500000| |2.821434|3.336857|3.601489|5.591624|5.692836|8.913133|17.762792|8.968653|5.636688|4.995156|5.014563|0.089084|3.405910|5.003747|6.984001|0.146685|10.430107|4.965039|0.115112|7.926206|7.209815|4.317703|0.136658|3.312421|2.805330|2.896773|5.217956|28.395027|5.552621|9.202414|3.777165|2.973370|2.711929|2.925114|3.680732|4.452022|2.496040|0.072790|0.069894|0.081694|0.083683|0.106469|0.107781|0.084537|0.214625|0.500000| |2.389712|2.934848|3.290152|5.925584|5.610519|4.896238|5.621559|8.836229|17.715141|8.919003|9.059205|0.182973|4.583644|6.557855|7.087839|0.209610|6.317200|3.931351|0.103404|7.811617|8.431467|3.045736|0.084070|2.685474|2.547438|2.252110|3.633068|17.595967|3.831815|5.006243|2.233651|1.938258|1.790301|1.845214|2.094984|2.348434|1.659910|0.061724|0.062598|0.064397|0.081557|0.085663|0.087157|0.083276|0.106582|0.123961|0.500000| |2.139834|2.461593|2.539103|3.917055|3.623125|4.346573|6.214796|6.607697|4.606587|3.699085|3.999036|0.075705|2.618857|4.004210|9.146797|0.216684|25.930060|9.282321|0.224821|10.840815|8.185484|6.561892|0.174742|4.371874|3.832889|3.509560|8.416186|41.876825|7.787038|14.751079|4.383800|3.374646|2.851516|2.845722|3.382967|4.392880|2.354411|0.057152|0.054136|0.060401|0.065038|0.076795|0.072299|0.062451|0.107851|0.204174|0.116922|0.500000| |2.073188|2.388569|2.686261|4.305565|4.005132|4.436887|5.983726|7.506259|5.762802|4.390838|4.708257|0.090103|2.965062|4.485873|9.550136|0.184395|10.330242|6.961284|0.146448|17.599824|25.815763|5.321627|0.157613|4.569600|3.793464|3.579437|5.321152|23.828061|4.841717|6.471243|3.147804|2.653412|2.439136|2.546827|2.973539|3.397631|2.227134|0.053506|0.054089|0.058728|0.062871|0.070459|0.077727|0.067997|0.104887|0.161224|0.151284|0.152082|0.500000| |1.553410|1.707053|1.830718|2.742896|2.342329|2.579604|3.121443|3.362611|2.865390|2.441396|2.877916|0.056781|1.914919|3.054128|4.269637|0.106372|6.698028|6.998827|0.160251|14.021028|7.205946|9.064039|0.221120|17.598462|8.977606|8.958714|7.707770|28.417085|5.925489|6.423509|3.821712|3.436974|3.072443|2.990341|3.234990|3.671694|2.550245|0.041090|0.040822|0.044317|0.045306|0.050203|0.052988|0.047380|0.066902|0.093575|0.079395|0.114707|0.149075|0.500000| |1.372598|1.496807|1.553803|2.301241|1.927439|2.094259|2.472160|2.652987|2.325839|2.010685|2.422359|0.048324|1.623353|2.625298|3.322964|0.091518|5.310967|5.396500|0.166896|8.395902|4.782670|6.571543|0.136746|8.673684|17.521152|6.709107|9.228002|31.268946|7.496384|6.483471|3.653300|3.482341|2.918978|2.621236|2.696524|3.121282|2.224921|0.036980|0.035993|0.038809|0.040265|0.044308|0.044237|0.040288|0.054959|0.073802|0.065492|0.103387|0.091073|0.173390|0.500000| |1.323741|1.440963|1.516277|2.250071|1.872285|2.008416|2.343237|2.535156|2.267195|1.967387|2.391579|0.048004|1.599719|2.596914|3.125332|0.084878|4.715146|4.674277|0.132892|8.490773|4.831217|5.430336|0.123619|8.830886|17.556816|6.984110|6.429700|24.110741|5.612963|5.260429|3.088539|2.984280|2.645807|2.448730|2.507837|2.789934|2.138260|0.035437|0.034973|0.037450|0.038763|0.042201|0.043259|0.039639|0.052554|0.068784|0.064467|0.088091|0.093649|0.215326|0.303237|0.500000| |1.444158|1.595005|1.677269|2.530711|2.142402|2.297033|2.753657|3.095214|2.730982|2.294211|2.746188|0.055186|1.803943|2.897391|4.081534|0.114210|6.150608|6.838190|0.216625|12.303465|6.300965|6.698859|0.139026|8.735261|17.590330|5.474680|7.548005|26.826881|6.059430|6.103686|3.185718|2.915318|2.528367|2.376299|2.519123|2.902499|2.049560|0.038642|0.037969|0.040614|0.043067|0.047028|0.047507|0.043525|0.058981|0.080203|0.078753|0.112908|0.114117|0.215511|0.301136|0.302629|0.500000| |1.396173|1.499304|1.561707|2.266079|1.887654|2.100920|2.446487|2.477633|2.137903|1.902302|2.286989|0.044957|1.567243|2.538569|2.926978|0.075939|4.834309|4.390105|0.115242|6.873152|4.209349|6.581073|0.166237|8.696389|6.804046|17.543080|9.276109|35.807240|8.212617|6.783885|5.178367|5.456110|4.527763|3.831405|3.738099|4.207174|3.117120|0.037501|0.036551|0.040090|0.039735|0.044377|0.045307|0.040442|0.056636|0.075525|0.058261|0.093883|0.086512|0.173439|0.197698|0.172419|0.138500|0.500000| |1.505017|1.617290|1.710544|2.481290|2.080497|2.344814|2.742633|2.729555|2.324766|2.075326|2.473048|0.048226|1.699543|2.737416|3.172257|0.079069|5.224308|4.570578|0.110166|7.537940|4.718427|6.940450|0.214682|8.742857|5.469610|17.552088|7.863186|32.848587|6.863092|6.729245|5.382743|5.270251|4.811015|4.500869|4.572190|4.958087|3.636619|0.040039|0.039412|0.043552|0.042461|0.047739|0.050247|0.044224|0.063420|0.085654|0.062470|0.097335|0.102047|0.212042|0.137999|0.141697|0.122306|0.301885|0.500000| |1.351949|1.452639|1.534287|2.236105|1.853156|2.031698|2.344725|2.411712|2.119425|1.886502|2.285237|0.045196|1.560280|2.534753|2.832802|0.073189|4.431885|4.041484|0.103835|7.067598|4.317927|5.474457|0.144244|8.820963|6.876687|17.554148|6.445962|25.933472|5.863285|5.433545|3.803925|3.872437|3.565753|3.270074|3.230215|3.450396|2.828147|0.036076|0.035670|0.038772|0.038559|0.042539|0.044535|0.040057|0.054384|0.070771|0.058354|0.082948|0.090090|0.217395|0.165924|0.209771|0.141455|0.302820|0.301683|0.500000| |1.517629|1.652192|1.696273|2.488970|2.107514|2.367680|2.839281|2.916073|2.454763|2.138879|2.532551|0.049648|1.717076|2.755943|3.600821|0.095759|6.420795|6.060227|0.175285|7.967834|4.790848|8.971393|0.184955|7.498803|6.957683|6.683103|26.010756|61.817281|14.032494|10.291510|5.921363|5.273334|3.926028|3.389232|3.554470|4.462696|2.703767|0.041031|0.039336|0.043248|0.043993|0.049654|0.048708|0.043415|0.063051|0.088742|0.066837|0.133055|0.093736|0.147751|0.241423|0.145841|0.160648|0.224214|0.156254|0.140938|0.500000| |1.459195|1.540448|1.562204|2.209043|1.820395|2.067593|2.344527|2.245753|1.931521|1.772590|2.137119|0.041502|1.499797|2.439313|2.495907|0.064980|4.178450|3.268115|0.087262|4.889086|3.301103|4.240788|0.120214|3.886993|3.385620|4.616076|7.380235|47.326763|13.086700|8.162467|8.906815|17.747385|8.920468|5.622191|4.956931|5.639967|4.093689|0.039721|0.037780|0.042301|0.040511|0.046207|0.045578|0.040127|0.057697|0.074332|0.051353|0.088140|0.068387|0.091408|0.102868|0.085238|0.082247|0.158668|0.133594|0.107010|0.158374|0.500000| |1.407509|1.459628|1.490135|2.070772|1.678004|1.897203|2.084694|1.961514|1.716737|1.611235|1.965937|0.038102|1.400875|2.297149|2.100045|0.054104|3.362502|2.555738|0.066640|4.067036|2.841855|3.163302|0.095030|3.057834|2.630886|3.747911|4.729545|27.876606|6.868528|5.745458|5.661683|8.965041|17.708034|8.897519|5.655143|4.954306|7.024605|0.038168|0.036681|0.041258|0.038114|0.043291|0.043980|0.038590|0.053928|0.065361|0.045404|0.069014|0.060424|0.077071|0.075719|0.069433|0.064997|0.116040|0.117621|0.093525|0.097020|0.215792|0.500000| |1.975309|2.054915|2.146150|2.941692|2.431797|2.921670|3.177239|2.743620|2.317242|2.219007|2.631663|0.049576|1.905107|3.061642|2.756247|0.067165|4.416619|3.020156|0.073650|4.887167|3.666070|3.513307|0.119532|3.068440|2.486168|3.296714|4.646847|27.829305|5.740834|6.910694|5.664117|4.954280|5.652581|8.916605|17.716142|8.947527|6.986102|0.052336|0.050668|0.059709|0.051860|0.061602|0.066032|0.054381|0.086951|0.105171|0.058676|0.088549|0.082561|0.083278|0.067308|0.063956|0.064673|0.088825|0.109850|0.080617|0.084814|0.107592|0.124148|0.500000| |2.126506|2.301351|2.380193|3.385119|2.940150|3.695737|4.434983|3.748749|2.950083|2.710620|3.092334|0.057874|2.179634|3.425377|3.912260|0.092549|7.061669|4.468273|0.105202|6.560877|4.860604|5.225012|0.187584|3.909867|3.093731|3.842104|7.086057|47.200634|8.180892|13.339190|8.933081|5.640065|4.958106|5.623699|8.893745|17.754909|4.083220|0.056578|0.053690|0.063006|0.058452|0.071025|0.071838|0.058955|0.106127|0.163820|0.073626|0.147179|0.107444|0.102324|0.084308|0.075677|0.081625|0.104167|0.122497|0.088777|0.117432|0.124199|0.107601|0.215307|0.500000| |1.523519|1.546230|1.579978|2.141897|1.708058|1.940307|2.055235|1.874333|1.658103|1.599144|1.965157|0.037761|1.429798|2.356623|1.917737|0.048925|2.974808|2.152047|0.055329|3.528941|2.582709|2.501888|0.077542|2.366178|2.039477|2.697059|3.517912|20.789704|4.878285|4.799624|3.988819|4.555111|6.561713|8.865813|6.025035|4.358411|17.542144|0.041179|0.039732|0.045471|0.039848|0.045597|0.047415|0.041015|0.056785|0.064099|0.043240|0.060773|0.056013|0.062853|0.056903|0.054159|0.052258|0.076971|0.085764|0.069224|0.069099|0.106909|0.182313|0.157728|0.101171|0.500000| |1.637771|1.668932|1.736011|2.355888|1.887394|2.160481|2.286588|2.064862|1.817392|1.756059|2.145918|0.041043|1.562401|2.562788|2.094144|0.052571|3.229283|2.318932|0.058370|3.869760|2.862447|2.693207|0.086134|2.549928|2.141588|2.889631|3.617217|20.704767|4.644306|4.885941|3.968251|4.172964|5.580983|8.837032|7.215720|4.737118|17.587532|0.043715|0.042784|0.049208|0.042688|0.049007|0.052746|0.045039|0.063442|0.071563|0.047084|0.064625|0.063374|0.069390|0.058429|0.056936|0.055068|0.079234|0.095014|0.074248|0.069703|0.096021|0.141063|0.220461|0.112566|0.301792|0.500000| 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