Version2.0 2020-03-01T21:43:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 25-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1(CCCCC1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4ccc(cc4)N5CC[NH+](CC5)C C39693923 RHF 6-31G(d) (6D,7F) CC1(CCCCC1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4ccc(cc4)N5CC[NH+](CC5)C C01[X(C29H47N5O2)] 243 C1 634 C[NH+]1CCN(CC1)c1ccc(cc1)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)C1(C)CCCCC1 C[NH+]1CCN(CC1)c1ccc(cc1)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)C1(C)CCCCC1 C[NH+]1CCN(CC1)c2ccc(CNC(=O)[C@@H]3CN(CC34CC[NH2+]CC4)C(=O)C5(C)CCCCC5)cc2 InChIKey=PJWBVFCRJHASSE-VWLOTQADSA-P InChI=1S/C29H45N5O2/c1-28(10-4-3-5-11-28)27(36)34-21-25(29(22-34)12-14-30-15-13-29)26(35)31-20-23-6-8-24(9-7-23)33-18-16-32(2)17-19-33/h6-9,25,30H,3-5,10-22H2,1-2H3,(H,31,35)/p+2/t25-/m0/s1 InChI=1/C29H45N5O2/c1-28(10-4-3-5-11-28)27(36)34-21-25(29(22-34)12-14-30-15-13-29)26(35)31-20-23-6-8-24(9-7-23)33-18-16-32(2)17-19-33/h6-9,25,30H,3-5,10-22H2,1-2H3,(H,31,35)/p+2/t25-/m0/s1/fC29H47N5O2/h30-32H/q+2 CC1(CCCCC1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4ccc(cc4)N5CC[NH+](CC5)C C01[X(C29H47N5O2)] 243 C01 634 C[NH+]1CCN(CC1)c1ccc(cc1)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)C1(C)CCCCC1 C[NH]1CCN(CC1)c1ccc(cc1)CNC(=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)C1(C)CCCCC1 C[NH]1CCN(CC1)c2ccc(CNC(=O)[C@@H]3CN(CC34CC[NH2]CC4)C(=O)C5(C)CCCCC5)cc2 InChIKey=QNYYGTBZZNSDAD-VWLOTQADSA-N InChI=1S/C29H47N5O2/c1-28(10-4-3-5-11-28)27(36)34-21-25(29(22-34)12-14-30-15-13-29)26(35)31-20-23-6-8-24(9-7-23)33-18-16-32(2)17-19-33/h6-9,25,32H,3-5,10-22,30H2,1-2H3,(H,31,35)/t25-/m0/s1 InChI=1/C29H47N5O2/c1-28(10-4-3-5-11-28)27(36)34-21-25(29(22-34)12-14-30-15-13-29)26(35)31-20-23-6-8-24(9-7-23)33-18-16-32(2)17-19-33/h6-9,25,32H,3-5,10-22,30H2,1-2H3,(H,31,35)/t25-/m0/s1/f/h31H 4001.2253310100 -1547.0997679 1-A 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12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11767.5437 43164.1923 51777.1577 0.99998 -0.00559 -0.00103 0.00559 0.99998 0.00105 0.00103 -0.00106 1.00000 1 0.00736 0.00201 0.00167 0.15337 0.04181 0.03486 9.90 16.45 21.05 30.93 43.70 56.61 65.36 80.43 88.69 107.12 118.84 167.15 176.82 203.52 217.30 225.60 248.33 272.69 288.00 295.87 340.30 342.74 345.54 362.89 380.80 385.10 405.25 430.99 453.25 458.77 468.93 488.29 499.45 515.64 525.22 535.40 562.38 597.99 611.72 631.82 655.29 665.15 676.46 684.64 692.65 701.55 720.80 725.41 755.01 758.32 765.06 801.93 826.34 848.37 865.14 904.30 967.87 983.20 998.78 1009.10 1092.39 1130.63 1161.32 1175.55 1195.66 1210.52 1218.44 1227.51 1234.02 1248.16 1258.26 1270.66 1290.83 1306.24 1315.21 1330.19 1350.01 1361.53 1364.73 1379.75 1389.37 1389.67 1439.83 1445.36 1451.34 1467.34 1491.82 1503.59 1513.09 1528.07 1534.31 1551.25 1559.91 1561.75 1586.91 1597.94 1601.83 1601.89 1606.04 1619.20 1627.99 1630.93 1637.58 1648.30 1654.13 1658.84 1664.22 1679.55 1682.56 1718.72 1723.98 1743.80 1756.17 1768.24 1776.35 1828.68 1829.71 1845.24 1851.08 1863.25 1874.90 1879.45 1884.47 1897.12 1903.21 1913.97 1922.52 1936.85 1948.43 1963.58 1967.60 1980.33 2001.31 2021.72 2025.13 2032.12 2039.07 2053.12 2083.29 2087.09 2091.84 2104.90 2109.00 2118.17 2134.59 2143.32 2160.12 2167.84 2169.20 2176.31 2195.96 2199.56 2200.80 2202.03 2208.23 2210.66 2216.23 2220.27 2228.95 2236.89 2247.50 2253.22 2258.24 2266.59 2274.23 2277.03 2279.90 2294.38 2314.49 2334.12 2344.96 2347.18 2349.49 2355.40 2360.26 2361.72 2361.78 2362.72 2364.06 2366.38 2368.63 2369.51 2372.51 2376.49 2381.11 2384.98 2391.96 2400.75 2409.25 2436.90 2468.61 2550.38 2619.94 2629.97 2724.30 2761.10 4517.45 4526.69 4595.78 4598.54 4599.84 4609.98 4610.23 4616.82 4625.70 4626.60 4659.91 4661.97 4670.48 4686.06 4686.31 4690.41 4693.49 4697.88 4702.99 4714.70 4714.73 4719.64 4722.97 4732.29 4733.97 4747.16 4754.30 4765.16 4768.74 4777.54 4788.24 4807.12 4808.58 4812.35 4830.68 4836.77 4840.21 4845.94 4853.29 4854.79 4868.22 4868.37 4882.91 5275.65 5295.72 5365.42 5586.61 0.810408 0.842550 0.843494 0.742102 -1546.289360 -1546.257218 -1546.256274 -1546.357666 3.400704D-04 MUNgauss RevisionA2.0 retrievium 01-Mar-2020 DUDE CC1(CCCCC1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4ccc(cc4)N5CC[NH+](CC5)C C39693923 RHF 6-31G(d) (6D,10F) C1 497.372976 |X|Y|Z| 151.800029 76.743616 33.556519 73.119016 32 6 7 27 5 |36.858105| |12.340923|36.858105| |7.481095|12.332660|36.858105| |4.852490|7.403491|12.426378|36.858105| |4.340060|6.305444|7.528734|12.452590|36.858105| |4.889732|7.384746|6.476517|7.554610|12.455015|36.858105| |7.624287|12.301529|7.629123|6.482632|7.526701|12.442220|36.858105| |7.644323|12.341948|7.335853|5.989120|5.081493|6.120679|7.617637|36.858105| |6.011013|7.981673|5.226407|4.725157|4.490298|5.909786|7.002243|15.802049|73.516695| |5.719823|7.475159|6.361002|5.505943|4.296630|4.584934|5.068877|13.806630|15.209434|53.358707| |5.392643|5.986673|5.933076|4.819633|3.655265|3.655884|4.094505|7.471207|9.563279|17.799515|36.858105| |4.140910|4.236970|4.006632|3.483885|2.853991|2.922403|3.221841|5.343064|8.002560|10.762883|12.142594|36.858105| |4.208592|3.982405|3.698368|3.125915|2.620342|2.704680|3.059451|4.728955|7.260050|8.306113|8.697861|17.571207|0.500000| |3.863581|4.094289|3.623505|3.294085|2.822335|3.016772|3.273421|5.720967|9.528201|11.025024|7.689637|12.175645|0.242322|36.858105| |4.136473|4.926047|4.340232|4.143147|3.486012|3.757962|3.917105|7.834218|12.715090|17.915734|8.179529|7.972968|0.162046|12.379394|36.858105| |4.193845|4.119986|3.405474|2.997964|2.674340|2.969002|3.370605|5.610951|10.178807|8.686672|5.840132|7.563865|0.210877|12.325740|7.476311|36.858105| |3.539482|3.577851|2.941085|2.698124|2.512435|2.865323|3.165913|4.786313|9.874160|6.716107|4.202506|4.877601|0.131794|7.435733|6.084205|12.522661|36.858105| |2.809233|2.876907|2.495068|2.358139|2.196105|2.435043|2.590414|3.676449|7.244042|5.420226|3.568301|4.327498|0.115077|6.449297|5.159905|7.699520|12.621493|53.358707| |2.568158|2.645560|2.298999|2.204013|2.092879|2.337362|2.454193|3.311581|6.678698|4.716517|3.071153|3.551994|0.094693|4.924897|4.349838|5.683340|9.162871|25.677197|0.500000| |2.650210|2.643429|2.321101|2.171820|2.017048|2.210274|2.371488|3.263632|6.242217|4.818987|3.332840|4.154972|0.115392|5.714196|4.356322|6.995382|9.194855|25.680862|0.328699|0.500000| |2.686313|2.845665|2.555798|2.472978|2.258846|2.443917|2.528594|3.672555|6.944726|5.801955|3.847798|4.797386|0.118792|7.498540|6.088753|6.532759|7.553484|17.205456|0.254815|0.255662|36.858105| |2.947783|3.101636|2.846144|2.698600|2.375721|2.509540|2.633343|4.012047|7.055511|6.930039|4.981392|7.240840|0.167029|12.382734|7.431011|7.650218|6.458906|10.394402|0.157115|0.193094|12.485117|36.858105| |3.217385|3.346129|3.383905|3.105977|2.547634|2.522866|2.673593|3.953822|6.121074|7.400762|7.545166|12.493331|0.246731|7.362461|5.825477|4.976909|3.746894|4.967931|0.085741|0.099365|4.302369|6.515154|36.858105| |2.906818|3.146878|3.245237|3.137820|2.574298|2.517188|2.579759|3.742744|5.886980|6.986950|6.284513|8.000000|0.163402|6.393437|5.865861|4.282409|3.469800|4.747726|0.083651|0.092805|4.338656|6.304409|15.795600|73.516695| |2.894832|2.889717|2.948626|2.678256|2.237550|2.204099|2.354163|3.237247|5.094670|5.577777|5.509501|7.813195|0.212434|5.212796|4.187901|4.119766|3.194431|4.285086|0.075206|0.088854|3.544104|4.944235|14.160260|15.105971|53.358707| |2.400215|2.418815|2.514592|2.354896|1.995880|1.941272|2.033031|2.648731|4.248109|4.395005|4.031021|4.982879|0.134098|3.874861|3.334121|3.182328|2.629683|3.629679|0.065374|0.075525|3.023430|3.949984|7.734162|12.092642|17.788630|36.858105| |2.313958|2.340177|2.518217|2.373820|1.996925|1.899792|1.976428|2.475622|3.928099|4.025137|3.691104|4.077072|0.109703|3.198988|2.925944|2.698392|2.269139|3.071435|0.056298|0.063159|2.513159|3.131202|5.642833|9.478628|10.354249|12.559089|36.858105| |2.344017|2.437769|2.706103|2.616981|2.165471|2.016278|2.061738|2.559959|4.021667|4.185696|3.796767|3.901095|0.100342|3.112088|3.002522|2.583882|2.198668|2.953784|0.054558|0.059658|2.440795|2.996556|5.276650|9.774279|8.055721|7.526382|13.661329|36.858105| |2.173268|2.255864|2.551035|2.493500|2.082331|1.909238|1.939544|2.301608|3.629792|3.641633|3.206406|3.150494|0.082650|2.594935|2.561957|2.224762|1.927500|2.572226|0.048108|0.051886|2.089194|2.480195|3.892903|7.139753|5.772685|5.009529|7.901126|13.802788|36.858105| |2.008537|2.038718|2.275889|2.192054|1.867596|1.726847|1.770926|2.053508|3.269597|3.176010|2.769381|2.757257|0.074733|2.295362|2.229644|2.025421|1.764985|2.355477|0.044244|0.047972|1.880774|2.203408|3.287282|5.802379|5.063553|4.413987|6.804865|7.913225|13.688039|36.858105| |1.989942|1.981162|2.161933|2.044394|1.757059|1.652440|1.716383|2.009463|3.218723|3.104641|2.728457|2.817257|0.078357|2.329052|2.197689|2.078507|1.800169|2.412771|0.045137|0.049711|1.912506|2.254453|3.370875|5.740142|5.512306|5.001921|7.884231|6.884511|7.960370|13.762611|36.858105| |2.123968|2.106087|2.259525|2.115264|1.809410|1.723511|1.803001|2.179897|3.490098|3.430976|3.076095|3.328194|0.093296|2.688688|2.463301|2.368237|2.019195|2.724058|0.050415|0.056518|2.175013|2.627101|4.172234|6.890174|7.433797|7.547757|13.761525|7.980795|6.908588|7.927391|13.708092|36.858105| |1.836918|1.867146|2.096209|2.042959|1.765810|1.620241|1.649794|1.852807|2.970021|2.805775|2.383085|2.326728|0.063206|1.987031|1.960319|1.781749|1.576390|2.098884|0.039789|0.042638|1.661628|1.905933|2.670053|4.753603|3.975422|3.314061|4.500961|5.150778|7.864336|13.281994|7.694614|5.097032|53.358707| |1.779276|1.778766|1.985172|1.908087|1.668211|1.538107|1.580581|1.741895|2.801389|2.595847|2.195432|2.139426|0.059183|1.834459|1.799083|1.677956|1.487851|1.969472|0.037431|0.040178|1.537163|1.748777|2.386121|4.157532|3.573805|2.895734|3.743139|3.967100|5.234272|7.765459|6.463847|4.426047|17.939694|36.858105| |1.652981|1.661842|1.862833|1.813970|1.606204|1.470732|1.498963|1.611884|2.605967|2.368521|1.962724|1.886224|0.051934|1.647127|1.638089|1.517789|1.361737|1.799289|0.034432|0.036558|1.398831|1.569069|2.063485|3.633543|3.010673|2.386245|2.941090|3.174985|4.043723|5.095401|4.290294|3.288209|10.706001|12.520836|36.858105| |1.497576|1.518057|1.687326|1.667380|1.490059|1.368589|1.381813|1.487590|2.425831|2.186511|1.787506|1.734579|0.047442|1.537665|1.533272|1.413204|1.280286|1.707055|0.032808|0.034672|1.333398|1.484739|1.909950|3.413985|2.766680|2.223408|2.699182|2.926351|3.677814|4.460166|3.776443|2.971624|9.078908|7.678110|12.670984|53.358707| |1.435656|1.446977|1.592088|1.565456|1.404615|1.300742|1.317993|1.424735|2.333128|2.093926|1.711413|1.680721|0.046221|1.493773|1.477184|1.378071|1.250287|1.673771|0.032182|0.034133|1.305038|1.451547|1.853831|3.299565|2.710888|2.197443|2.651207|2.799011|3.432220|4.248101|3.795004|2.980783|8.150073|7.152889|9.324835|25.681981|0.500000| |1.532082|1.572417|1.753130|1.753799|1.556619|1.424925|1.427080|1.557173|2.536910|2.313061|1.889945|1.838014|0.049651|1.630964|1.634859|1.478764|1.339834|1.796386|0.034490|0.036370|1.418606|1.585317|2.058811|3.745369|2.961693|2.419398|2.977927|3.351424|4.369339|5.114129|4.036501|3.189241|10.662693|6.633051|7.695953|17.245472|0.259034|36.858105| |1.637091|1.675645|1.860491|1.843345|1.616737|1.489327|1.501203|1.677520|2.721681|2.528820|2.100888|2.074367|0.056024|1.814747|1.797012|1.628723|1.461475|1.967191|0.037528|0.039961|1.563851|1.772136|2.382027|4.327332|3.498935|2.956298|3.822431|4.325179|5.998275|7.858471|5.707368|4.203233|17.878824|7.962031|6.642730|10.444430|0.198158|12.525872|36.858105| |1.393983|1.416294|1.572809|1.566475|1.417538|1.299163|1.304702|1.379723|2.261703|2.005719|1.616636|1.557890|0.042573|1.398397|1.405284|1.294421|1.182795|1.574765|0.030423|0.031912|1.224666|1.349234|1.690198|3.029851|2.414111|1.907604|2.248361|2.432741|2.945453|3.355539|2.924553|2.418602|6.109449|4.982584|7.660589|17.373664|0.260344|7.661867|4.981909|36.858105| |17.549288|8.616134|6.727448|4.428237|3.760827|4.003722|5.478304|6.759947|9.264614|8.060660|6.389544|4.854443|0.142871|4.208346|4.262655|4.523009|3.593177|3.921378|0.071915|0.076641|2.776767|3.152010|3.669335|5.689607|4.548217|2.701892|2.596688|2.595940|2.381546|2.204866|2.205837|2.379861|2.708941|1.929570|1.769197|2.164886|0.042424|1.625355|1.754188|1.467172|0.500000| |17.558287|8.746250|5.454858|4.023471|3.801766|4.527807|6.953400|7.081002|11.423997|7.054324|4.681844|3.907509|0.112244|3.858699|4.026537|4.499914|3.917698|4.092965|0.076781|0.078731|2.776924|2.970503|3.015718|4.846912|3.707711|2.265611|2.149269|2.149851|1.984720|1.846107|1.845844|1.981186|2.300366|1.640109|1.525124|1.894656|0.037259|1.423198|1.520410|1.298732|0.300943|0.500000| |17.579824|8.806317|6.862293|4.574770|4.263501|4.634909|7.058572|5.537607|8.275610|6.027064|4.321452|3.430959|0.097455|3.180103|3.381992|3.399474|2.962619|3.304036|0.062494|0.064229|2.330327|2.531333|2.801998|4.553744|3.517176|2.194372|2.155303|2.191974|2.072038|1.937130|1.912229|2.010136|2.444206|1.758512|1.649431|2.025285|0.039551|1.509803|1.598569|1.393734|0.303317|0.302205|0.500000| |6.726699|8.679432|17.592725|8.823172|5.494177|4.819904|5.496974|6.618241|8.341387|9.256047|7.523138|4.669677|0.118731|3.921519|4.550934|3.562102|2.963829|3.462343|0.064250|0.066352|2.642455|3.042867|3.964026|6.629178|4.687814|2.887381|2.921213|3.161913|2.950108|2.599767|2.462772|2.589476|3.206007|2.215410|2.048226|2.500539|0.048070|1.914572|2.057022|1.692178|0.196855|0.138158|0.167042|0.500000| |7.119156|8.952544|17.521111|8.886747|6.886744|5.792780|7.019362|5.454133|7.595491|6.453948|4.650195|3.391497|0.090013|3.065246|3.504069|2.964669|2.600100|3.030291|0.057483|0.058206|2.251493|2.479155|2.934699|4.975008|3.603235|2.297917|2.334256|2.493067|2.402570|2.185538|2.077495|2.140215|2.782816|1.966683|1.865001|2.284174|0.043915|1.723418|1.809937|1.575347|0.174480|0.143965|0.215295|0.306120|0.500000| |4.427954|6.660617|8.817871|17.510992|8.840737|6.756469|5.660315|6.575683|9.205884|8.949210|5.362760|3.852233|0.092592|3.728000|5.006809|3.256411|2.934985|3.518174|0.066824|0.065314|2.775658|3.041707|3.449953|6.374941|3.918275|2.519347|2.503003|2.779163|2.593987|2.242089|2.090521|2.188479|2.810192|1.901978|1.793945|2.263748|0.043487|1.768947|1.876042|1.554022|0.115419|0.105793|0.110889|0.211637|0.173772|0.500000| |4.062874|5.445861|8.862032|17.537839|8.817715|5.499452|4.864500|4.581461|6.669749|6.133295|4.285191|3.192676|0.080180|2.944803|3.568037|2.657351|2.388593|2.903207|0.055479|0.055160|2.254640|2.476874|2.967261|5.380287|3.550562|2.341674|2.419740|2.722481|2.655983|2.323556|2.128508|2.166648|2.982039|2.038703|1.955073|2.438184|0.046326|1.888850|1.969498|1.687216|0.107276|0.094525|0.110250|0.215962|0.215051|0.303811|0.500000| |3.508360|4.761987|5.488581|8.823018|17.548672|8.813697|5.486753|4.245887|6.955144|5.146142|3.240835|2.612548|0.066238|2.616663|3.237640|2.449094|2.339456|2.842200|0.055744|0.053191|2.173119|2.260628|2.390459|4.378493|2.860871|1.903642|1.909066|2.085996|2.016517|1.802753|1.685666|1.728399|2.334549|1.611331|1.561362|1.990263|0.038242|1.536642|1.587184|1.397933|0.087067|0.087985|0.095329|0.123263|0.140543|0.215378|0.210926|0.500000| |4.181511|5.546054|6.772902|8.864741|17.506625|8.852528|6.752939|4.251780|6.746121|4.955887|3.254079|2.584455|0.067249|2.514938|2.985603|2.423050|2.271994|2.714128|0.052908|0.051454|2.030419|2.137841|2.325789|4.132437|2.839025|1.874776|1.895136|2.046951|1.996465|1.813595|1.706378|1.740619|2.358845|1.654999|1.606797|2.019780|0.038795|1.536523|1.582919|1.420377|0.100473|0.101138|0.121090|0.140300|0.202858|0.173838|0.215962|0.303555|0.500000| |4.449772|6.624904|5.633303|6.737387|8.834164|17.537489|8.836885|6.736526|12.501254|6.901307|3.809351|3.090257|0.077947|3.312140|4.322813|3.211788|3.165717|3.662921|0.072018|0.066698|2.728844|2.759522|2.659581|4.784073|3.106940|2.005349|1.937957|2.056543|1.924474|1.727713|1.655958|1.740979|2.191657|1.516720|1.443341|1.839224|0.035755|1.416417|1.488298|1.278623|0.104766|0.118145|0.111916|0.124716|0.132506|0.196503|0.138492|0.215267|0.173703|0.500000| |4.105825|5.440297|4.869400|5.502456|8.826514|17.551790|8.877454|4.682400|8.515855|5.001156|3.036330|2.522754|0.065763|2.621444|3.162411|2.623091|2.591803|3.036550|0.060322|0.056551|2.216450|2.238033|2.211144|3.926762|2.669623|1.748701|1.714483|1.810828|1.728267|1.578062|1.513451|1.570563|2.032134|1.425375|1.372511|1.745893|0.033920|1.330446|1.381426|1.225632|0.094588|0.109722|0.112314|0.106670|0.129961|0.138709|0.123396|0.210467|0.216061|0.304333|0.500000| |7.253035|8.925212|6.984884|5.759501|6.842887|8.883910|17.518674|5.564261|9.044537|5.619522|3.595019|2.877309|0.077433|2.846052|3.270112|2.943738|2.752759|3.122536|0.060580|0.059259|2.233422|2.335724|2.436449|4.157558|2.985944|1.914569|1.884860|1.963699|1.872667|1.728235|1.674245|1.741798|2.211742|1.571987|1.500703|1.874564|0.036448|1.411318|1.474794|1.306498|0.145517|0.178419|0.223588|0.142332|0.212447|0.132324|0.128982|0.139905|0.200744|0.173960|0.216147|0.500000| |6.966015|8.787493|5.528664|4.845933|5.492688|8.823727|17.621153|7.121795|13.842589|6.404065|3.761918|3.111194|0.083133|3.277405|3.840317|3.527750|3.435246|3.741173|0.073039|0.069549|2.610252|2.654762|2.557028|4.364947|3.076241|1.949892|1.871193|1.926978|1.802736|1.656639|1.620978|1.712873|2.097387|1.480127|1.401267|1.766001|0.034547|1.338098|1.409959|1.225547|0.140940|0.209218|0.173687|0.122671|0.142979|0.126161|0.106908|0.123222|0.139405|0.213990|0.214004|0.303333|0.500000| |6.740819|6.631231|6.557311|4.751437|3.643515|3.644200|4.311070|7.025513|8.961432|12.288514|17.719567|8.682017|0.227957|5.910325|5.902547|5.282930|3.850515|4.375248|0.077862|0.085027|3.312345|4.102724|5.910174|8.620940|6.741877|3.701221|3.494727|3.533043|3.079485|2.733997|2.717179|3.024712|3.232865|2.231739|1.997185|2.444432|0.047760|1.872185|2.068917|1.627019|0.254385|0.152482|0.146903|0.243786|0.147810|0.135764|0.118206|0.087632|0.092887|0.101300|0.084576|0.108353|0.108972|0.500000| |4.499882|5.173870|5.859752|5.119712|3.706547|3.504963|3.733474|5.901667|7.917281|12.391863|17.610369|8.701032|0.180916|5.956177|6.699698|4.498955|3.491929|4.235880|0.075870|0.081152|3.454445|4.412590|7.673216|12.555884|7.639180|4.303231|4.126856|4.504754|3.764179|3.127287|2.994268|3.341051|3.626934|2.405920|2.142966|2.651584|0.051413|2.084141|2.329828|1.751461|0.142612|0.107502|0.106355|0.218983|0.128172|0.161798|0.133045|0.092959|0.091621|0.100861|0.081158|0.092851|0.093213|0.302580|0.500000| |3.528313|4.221257|4.036348|4.082861|3.380708|3.479700|3.462980|5.936588|9.552510|12.515019|7.169403|7.021117|0.141134|8.862250|17.577319|5.487970|4.726274|6.034758|0.106860|0.106587|5.647843|7.034237|6.195374|12.712088|5.867054|3.542833|3.122547|3.291877|2.773988|2.362424|2.297600|2.572982|2.813944|1.868564|1.699761|2.179491|0.042744|1.727579|1.906819|1.463581|0.101344|0.093502|0.083056|0.119589|0.091266|0.141776|0.100782|0.089696|0.080240|0.110917|0.082078|0.082038|0.092309|0.143156|0.191662|0.500000| |3.918404|4.725957|3.989527|3.927218|3.503673|3.963364|4.038911|7.612125|15.115555|12.474173|5.820190|5.642547|0.127748|8.552277|17.730631|6.854489|6.757668|7.597937|0.136016|0.124129|6.314425|6.360983|4.427215|8.031734|4.653171|2.831340|2.517565|2.580794|2.251571|1.985409|1.956026|2.165015|2.411832|1.637534|1.506538|1.930316|0.038001|1.507269|1.640192|1.310511|0.107221|0.109855|0.089924|0.110290|0.091160|0.130767|0.092729|0.091460|0.082651|0.132314|0.093719|0.091900|0.113980|0.130475|0.138545|0.301395|0.500000| |5.415860|5.067620|3.927339|3.306096|2.948213|3.335025|3.984667|6.977683|12.331481|9.736243|6.352732|6.968593|0.202375|8.713129|6.909773|17.624543|9.046168|7.645730|0.127399|0.143641|4.882614|5.520556|4.511490|6.892075|5.192470|2.965047|2.597767|2.514874|2.199220|2.010487|2.051630|2.306726|2.424694|1.690241|1.535718|1.932641|0.038336|1.476869|1.616564|1.304612|0.162663|0.167536|0.115877|0.112670|0.094638|0.097709|0.080005|0.073343|0.074428|0.098566|0.080925|0.095758|0.117069|0.171953|0.130274|0.139766|0.178246|0.500000| |3.754059|3.526218|3.015763|2.645060|2.367472|2.580834|2.927309|4.405268|7.798022|6.729777|5.033198|6.952821|0.225522|8.802836|5.477243|17.501330|8.899722|9.433600|0.144197|0.205005|5.756221|6.929416|4.885053|7.201587|5.893476|3.321390|2.763235|2.571635|2.208599|2.039105|2.129822|2.456022|2.430276|1.691953|1.520491|1.924424|0.038500|1.472825|1.630258|1.290469|0.115664|0.111505|0.087022|0.088828|0.074765|0.078428|0.066494|0.060500|0.060619|0.076029|0.064279|0.073067|0.084615|0.132625|0.111686|0.123391|0.138418|0.304161|0.500000| |3.649250|3.877306|3.123039|2.925501|2.768416|3.243960|3.524019|5.424526|12.382236|7.226024|4.167515|4.473821|0.115971|6.660212|6.664798|8.772639|17.658609|12.337679|0.224287|0.180628|6.819964|5.646554|3.498873|5.954586|4.001159|2.457129|2.161626|2.135875|1.888353|1.718359|1.731200|1.919666|2.103615|1.455076|1.341108|1.719487|0.034142|1.324999|1.436442|1.172297|0.099254|0.112169|0.084623|0.085369|0.075859|0.089491|0.070781|0.071808|0.068479|0.102582|0.081209|0.082983|0.107928|0.104858|0.097444|0.140917|0.238998|0.215013|0.173332|0.500000| |3.415204|3.315618|2.710632|2.464609|2.337118|2.683110|3.012184|4.174104|8.628950|5.561376|3.601859|4.064440|0.115260|5.434967|4.617631|8.777423|17.628244|12.364612|0.221465|0.226400|5.567210|4.882235|3.209290|5.247409|3.874584|2.380093|2.078150|2.001442|1.776122|1.646888|1.688177|1.881729|2.016275|1.410951|1.295853|1.657130|0.033102|1.265720|1.374510|1.128584|0.095499|0.108391|0.080644|0.075212|0.068014|0.072868|0.060963|0.060310|0.059593|0.080799|0.068613|0.074036|0.092625|0.095644|0.084260|0.104283|0.139801|0.213819|0.215882|0.301591|0.500000| |2.715018|2.971686|2.662181|2.638137|2.431801|2.653956|2.683526|3.912674|7.604533|6.102752|3.814819|4.415591|0.106644|6.730167|6.696755|5.728879|6.875389|12.433604|0.225808|0.181314|17.635670|8.748620|3.959933|7.378481|4.379094|2.782781|2.378080|2.365067|2.045791|1.828840|1.834259|2.057323|2.216801|1.502835|1.377824|1.791404|0.035637|1.403932|1.537041|1.214527|0.076405|0.077684|0.065443|0.075302|0.064595|0.083629|0.066213|0.065575|0.059932|0.084223|0.066726|0.064993|0.076995|0.090348|0.096441|0.176340|0.215520|0.127774|0.132897|0.202994|0.141864|0.500000| |2.335731|2.453011|2.245675|2.193278|2.019926|2.160531|2.214379|3.044146|5.702008|4.721616|3.237239|3.977685|0.101086|5.462117|4.620742|4.912972|5.564124|12.369814|0.222361|0.225705|17.626653|8.767075|3.808060|6.949362|4.451372|2.901200|2.405761|2.321353|1.994999|1.807678|1.845824|2.098238|2.179778|1.480752|1.348691|1.762002|0.035329|1.379615|1.521609|1.189696|0.067077|0.066828|0.057274|0.064535|0.055700|0.067788|0.056337|0.054487|0.050885|0.066395|0.055101|0.055093|0.063300|0.078901|0.083043|0.125879|0.131479|0.107855|0.129570|0.141188|0.126528|0.301615|0.500000| |2.757610|2.802904|2.592977|2.424443|2.145127|2.251333|2.389717|3.467549|6.051110|5.771654|4.426138|6.663449|0.172129|8.769509|5.445999|6.879173|5.679918|9.341391|0.143389|0.202825|8.883835|17.500124|6.367103|10.149361|7.288675|4.266216|3.251907|2.993115|2.466788|2.227205|2.326669|2.758669|2.606028|1.766653|1.573431|2.025076|0.040647|1.581699|1.779319|1.346474|0.083173|0.077484|0.066561|0.077564|0.063902|0.074262|0.062603|0.056584|0.054433|0.067515|0.056327|0.059895|0.067034|0.106128|0.109734|0.143695|0.132468|0.140340|0.204982|0.131161|0.128514|0.173033|0.215441|0.500000| |2.724652|2.928736|2.784450|2.710000|2.362806|2.441450|2.501934|3.706613|6.386679|6.517762|4.781205|6.533986|0.144710|8.766030|6.883980|5.526023|4.850523|7.604656|0.127009|0.142836|8.998937|17.632379|7.039276|14.156798|6.995595|4.295991|3.381437|3.297895|2.684250|2.340821|2.369427|2.765852|2.739130|1.819981|1.630092|2.112450|0.042075|1.675550|1.883460|1.405879|0.080617|0.074782|0.065907|0.083319|0.067259|0.086032|0.070066|0.063250|0.058875|0.074698|0.060459|0.061927|0.068949|0.107380|0.125736|0.214437|0.160665|0.122825|0.140990|0.126539|0.107417|0.213894|0.212884|0.303818|0.500000| |3.040080|2.926945|2.948466|2.607185|2.194502|2.177931|2.371656|3.216634|5.057851|5.377046|5.361357|7.462047|0.242899|4.928309|3.894350|4.204837|3.200022|4.196325|0.073640|0.088299|3.322232|4.484545|9.408204|10.873674|26.072839|9.015753|6.429164|4.982014|3.838231|3.527535|3.944684|5.254501|3.829313|2.601790|2.189349|2.707518|0.054330|2.092240|2.450109|1.740044|0.099737|0.079693|0.075496|0.095708|0.074519|0.076371|0.070251|0.056722|0.057368|0.062012|0.053996|0.061907|0.063529|0.143876|0.143767|0.106640|0.089804|0.110572|0.127541|0.080693|0.080769|0.083334|0.084828|0.137928|0.122214|0.500000| |2.271240|2.335047|2.418947|2.318791|1.976564|1.924637|1.985778|2.598864|4.218289|4.336796|3.819065|4.706834|0.120583|3.906197|3.417528|3.123221|2.641490|3.736300|0.067548|0.077124|3.218820|4.209137|7.443919|13.812446|12.635822|17.651309|8.896526|6.931739|4.678504|3.985377|4.273631|5.802919|4.200323|2.658409|2.237588|2.894669|0.058287|2.350217|2.849026|1.840229|0.069771|0.059918|0.057557|0.076088|0.060972|0.069938|0.063941|0.052910|0.051184|0.055809|0.048235|0.051589|0.053040|0.094543|0.114183|0.104119|0.081016|0.079494|0.088991|0.069094|0.065723|0.082581|0.087142|0.124379|0.134425|0.181256|0.500000| |2.227084|2.205805|2.259571|2.106707|1.817121|1.783474|1.877710|2.399031|3.906890|3.875568|3.456740|4.285366|0.121531|3.484129|2.950186|2.993488|2.507356|3.498670|0.063303|0.074237|2.854557|3.631788|5.871772|9.113615|12.583496|17.598886|8.901826|5.601474|4.196280|3.980728|4.774751|7.300157|4.181829|2.761713|2.276473|2.899975|0.059278|2.285700|2.779177|1.831628|0.069471|0.059114|0.056928|0.071009|0.058074|0.061976|0.058010|0.048157|0.047741|0.051025|0.045014|0.049407|0.050481|0.090561|0.099012|0.085178|0.071132|0.077208|0.089132|0.064343|0.064000|0.072028|0.077370|0.113165|0.106489|0.224782|0.303222|0.500000| |2.451372|2.613492|2.909290|2.870259|2.344728|2.177139|2.200345|2.801831|4.382303|4.701532|4.234459|4.305909|0.105536|3.462291|3.425478|2.775456|2.362582|3.182018|0.058614|0.063473|2.686734|3.336340|6.058966|12.517925|8.206122|6.989918|8.901791|17.724426|8.949040|5.638932|4.958581|5.665057|5.698840|3.329132|2.796396|3.561539|0.069142|3.002845|3.689079|2.234448|0.074779|0.062385|0.062974|0.094469|0.072932|0.086788|0.082589|0.063074|0.060673|0.062376|0.053903|0.057512|0.056950|0.104771|0.145073|0.108033|0.080661|0.074494|0.075294|0.064316|0.058930|0.073094|0.070487|0.090179|0.104960|0.134608|0.201137|0.141173|0.500000| |2.138369|2.257993|2.598143|2.604711|2.169942|1.957616|1.959715|2.286086|3.604447|3.587834|3.084472|2.935698|0.076000|2.471548|2.510096|2.120283|1.858111|2.472224|0.046535|0.049456|2.010539|2.351786|3.522026|6.644587|4.953481|4.084724|5.627566|8.927911|17.720029|8.926529|5.661980|4.970753|9.930440|4.875366|4.077243|5.147495|0.095023|4.669045|5.977714|3.088343|0.064219|0.054028|0.056938|0.082805|0.068072|0.075261|0.078576|0.058921|0.057812|0.054727|0.049250|0.052628|0.050246|0.081915|0.101889|0.076165|0.061776|0.058540|0.057739|0.051132|0.047528|0.055408|0.053251|0.063973|0.070936|0.091848|0.110332|0.096403|0.215640|0.500000| |1.851800|1.825368|1.976715|1.865076|1.624320|1.534120|1.597618|1.837755|2.966762|2.794686|2.418510|2.495705|0.070371|2.099492|1.977999|1.909853|1.669130|2.237632|0.042082|0.046308|1.753920|2.038221|2.894755|4.903469|4.679571|4.095310|5.639317|4.958988|5.641168|8.879192|17.724960|8.948680|9.493659|7.004952|4.519177|5.378150|0.114581|3.997376|5.457206|3.029171|0.056782|0.047990|0.049834|0.061820|0.053334|0.052564|0.053841|0.043300|0.044119|0.042544|0.039293|0.043562|0.042089|0.067686|0.072398|0.056892|0.049433|0.052538|0.054668|0.044533|0.043866|0.046686|0.047227|0.058718|0.058899|0.095493|0.098915|0.114004|0.107637|0.124067|0.500000| |2.050794|2.004114|2.110881|1.960983|1.697920|1.636619|1.724426|2.079878|3.362625|3.240381|2.875061|3.191139|0.092000|2.612447|2.344919|2.348477|2.006504|2.720862|0.050341|0.057135|2.147739|2.580637|3.892961|6.276764|7.107650|6.988585|8.916420|5.655682|4.969705|5.654393|8.951052|17.705618|5.636486|3.841710|2.940566|3.645439|0.075855|2.804455|3.561238|2.217278|0.063931|0.053713|0.053922|0.066501|0.055782|0.056190|0.055244|0.044964|0.045472|0.045933|0.041620|0.046341|0.045900|0.079266|0.084166|0.067092|0.057678|0.063249|0.068864|0.052466|0.052362|0.055826|0.057915|0.076846|0.074329|0.147157|0.148254|0.222993|0.124196|0.107813|0.217938|0.500000| |1.673395|1.660892|1.825689|1.749104|1.542741|1.437376|1.481600|1.636996|2.652282|2.434202|2.049617|2.033802|0.056739|1.755750|1.703247|1.616661|1.438459|1.915124|0.036440|0.039290|1.490221|1.690325|2.269505|3.933830|3.444820|2.828493|3.594459|3.624060|4.505178|6.607446|6.493838|4.439527|12.187374|17.429014|8.881771|9.373288|0.209395|5.784463|7.072709|4.605305|0.050419|0.043209|0.045861|0.056233|0.050179|0.048584|0.051366|0.041408|0.042463|0.039484|0.037135|0.040890|0.038816|0.057826|0.061567|0.048962|0.043212|0.045024|0.045627|0.038891|0.038033|0.040262|0.040098|0.047841|0.048729|0.070114|0.071991|0.076812|0.084602|0.113429|0.226315|0.111314|0.500000| |1.931210|1.911414|2.144075|2.027590|1.761066|1.622995|1.684122|1.853953|2.960190|2.758001|2.362146|2.280763|0.063656|1.929425|1.886322|1.773405|1.559028|2.045414|0.038745|0.041743|1.587137|1.814620|2.514331|4.304947|3.787044|2.995329|3.863602|4.029093|5.140588|7.258496|6.466328|4.582397|12.490557|17.618350|8.983923|7.618967|0.145159|4.955621|5.723128|4.142771|0.058677|0.049134|0.053218|0.067071|0.059363|0.055698|0.060158|0.046836|0.048714|0.044222|0.041642|0.046714|0.043676|0.067713|0.071757|0.053988|0.047498|0.049989|0.049751|0.042274|0.041128|0.043028|0.042202|0.050950|0.052061|0.077832|0.074938|0.079126|0.093849|0.130660|0.191116|0.111063|0.301979|0.500000| |1.591082|1.584892|1.763899|1.706134|1.524596|1.403345|1.437211|1.529139|2.481843|2.226767|1.836334|1.768191|0.049097|1.551818|1.537782|1.445603|1.300892|1.715476|0.032896|0.034941|1.323644|1.476722|1.909278|3.334233|2.789574|2.186829|2.634576|2.770037|3.375031|4.154430|3.751206|2.965435|7.688761|8.784653|17.621163|12.357260|0.225451|5.615292|4.968384|7.121741|0.047238|0.040916|0.044368|0.053521|0.049441|0.046599|0.050816|0.041065|0.042603|0.038124|0.036540|0.040179|0.037438|0.052316|0.055036|0.043990|0.039469|0.040752|0.040362|0.035540|0.034575|0.036164|0.035472|0.041259|0.042321|0.056974|0.056784|0.058661|0.068465|0.093195|0.113234|0.075685|0.215607|0.211998|0.500000| 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