Version2.0 2020-01-20T03:47:52Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 15-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1C[C@@H](CC(C1)(C)C)OC[C@@H](C[NH+]2CCC(CC2)CN3C(=O)c4cccc5c4c(ccc5)C3=O)O C08431530 RHF 6-31G(d) (6D,7F) C[C@@H]1C[C@@H](CC(C1)(C)C)OC[C@@H](C[NH+]2CCC(CC2)CN3C(=O)c4cccc5c4c(ccc5)C3=O)O C01[X(C30H41N2O4)] 225 C1 622 O[C@H](C[NH+]1CCC(CC1)Cn1c(=O)c2cccc3c2c(c1=O)ccc3)CO[C@H]1C[C@@H](C)CC(C1)(C)C O[C@H](C[NH+]1CCC(CC1)Cn1c(=O)c2cccc3c2c(c1=O)ccc3)CO[C@H]1C[C@@H](C)CC(C1)(C)C C[C@@H]1C[C@@H](CC(C)(C)C1)OC[C@H](O)C[NH+]2CCC(CC2)CN3C(=O)C4CCCC5CCCC(C45)C3=O InChIKey=LMERZXACKMWPJE-ITGNOERDSA-O InChI=1S/C30H50N2O4/c1-20-14-24(16-30(2,3)15-20)36-19-23(33)18-31-12-10-21(11-13-31)17-32-28(34)25-8-4-6-22-7-5-9-26(27(22)25)29(32)35/h20-27,33H,4-19H2,1-3H3/p+1/t20-,22?,23-,24+,25?,26?,27?/m1/s1 InChI=1/C30H50N2O4/c1-20-14-24(16-30(2,3)15-20)36-19-23(33)18-31-12-10-21(11-13-31)17-32-28(34)25-8-4-6-22-7-5-9-26(27(22)25)29(32)35/h20-27,33H,4-19H2,1-3H3/p+1/t20-,22?,23-,24+,25?,26?,27?/m1/s1/fC30H51N2O4/h31H/q+1 C[C@@H]1C[C@@H](CC(C1)(C)C)OC[C@@H](C[NH+]2CCC(CC2)CN3C(=O)c4cccc5c4c(ccc5)C3=O)O C01[X(C30H41N2O4)] 225 C01 622 O[C@H](C[NH+]1CCC(CC1)Cn1c(=O)c2cccc3c2c(c1=O)ccc3)CO[C@H]1C[C@@H](C)CC(C1)(C)C O[C@H](C[NH]1CC[C@H](CC1)Cn1c(=O)c2cccc3c2c(c1=O)ccc3)CO[C@H]1C[C@@H](C)CC(C1)(C)C C[C@@H]1C[C@@H](CC(C)(C)C1)OC[C@H](O)C[NH]2CC[C@H](CC2)CN3C(=O)C4CCCC5CCCC(C45)C3=O InChIKey=JIOKXKMDMUNWFC-ITGNOERDSA-N InChI=1S/C30H51N2O4/c1-20-14-24(16-30(2,3)15-20)36-19-23(33)18-31-12-10-21(11-13-31)17-32-28(34)25-8-4-6-22-7-5-9-26(27(22)25)29(32)35/h20-27,31,33H,4-19H2,1-3H3/t20-,22?,23-,24+,25?,26?,27?/m1/s1 InChI=1/C30H51N2O4/c1-20-14-24(16-30(2,3)15-20)36-19-23(33)18-31-12-10-21(11-13-31)17-32-28(34)25-8-4-6-22-7-5-9-26(27(22)25)29(32)35/h20-27,31,33H,4-19H2,1-3H3/t20-,22?,23-,24+,25?,26?,27?/m1/s1 3682.9617502733 -1568.1726417 1-A 42491.9523 133 489 622 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.69480 -20.66642 -20.62734 -20.62665 -15.82676 -15.70046 -11.45248 -11.45085 -11.42736 -11.42145 -11.42097 -11.42036 -11.39208 -11.36267 -11.35864 -11.35775 -11.35229 -11.34855 -11.34031 -11.33419 -11.33372 -11.33121 -11.33078 -11.32917 -11.32723 -11.32665 -11.31672 -11.31647 -11.30145 -11.29466 -11.29305 -11.28994 -11.27886 -11.27410 -11.27345 -11.26993 -1.52075 -1.50763 -1.48664 -1.48387 -1.46599 -1.34579 -1.27763 -1.23983 -1.21108 -1.20773 -1.18725 -1.18152 -1.16111 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15.99491 15.99491 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 4907.5600 73299.7095 75133.1707 1.00000 -0.00070 -0.00027 0.00070 0.99990 -0.01437 0.00028 0.01437 0.99990 1 0.01765 0.00118 0.00115 0.36775 0.02462 0.02402 12.36 14.18 21.36 42.75 48.86 56.18 86.76 88.60 111.71 123.33 136.02 182.57 206.90 209.19 236.97 255.23 257.30 270.12 285.07 332.32 345.83 356.82 364.95 370.71 382.38 384.28 391.51 432.12 448.13 456.81 487.01 496.67 521.95 541.06 590.97 599.82 626.67 641.89 653.58 665.28 673.78 675.58 685.24 698.86 709.53 717.73 723.92 731.46 742.51 743.82 770.06 785.42 811.77 839.01 850.39 854.81 889.19 946.45 962.70 972.41 1032.76 1088.91 1181.14 1191.83 1194.11 1202.45 1237.87 1245.75 1254.59 1278.57 1286.28 1331.27 1349.75 1350.82 1352.86 1370.87 1393.53 1415.22 1418.25 1445.96 1448.47 1462.78 1482.38 1483.30 1487.80 1509.72 1524.16 1541.67 1547.91 1558.12 1558.56 1579.36 1580.07 1592.83 1611.79 1619.22 1627.38 1639.04 1639.88 1649.00 1660.19 1665.96 1694.59 1711.01 1714.10 1748.44 1756.74 1758.71 1770.97 1781.00 1789.33 1814.59 1828.52 1839.61 1843.11 1855.75 1868.72 1888.44 1899.95 1901.60 1925.33 1936.14 1962.74 1968.03 1990.81 1996.70 2008.63 2031.49 2039.58 2054.03 2071.77 2078.45 2080.00 2086.30 2099.50 2109.69 2120.58 2121.60 2138.43 2141.89 2173.32 2178.01 2189.57 2192.93 2202.57 2210.57 2226.16 2229.27 2233.52 2236.30 2243.87 2245.59 2255.40 2255.88 2270.29 2272.62 2278.02 2294.76 2304.54 2316.99 2330.10 2337.59 2344.24 2347.75 2348.53 2349.33 2351.02 2355.26 2358.19 2361.00 2364.94 2365.16 2367.66 2377.17 2386.08 2388.37 2389.45 2406.38 2418.17 2569.16 2581.44 2633.99 2768.36 2827.52 4577.41 4581.85 4589.44 4593.60 4599.81 4600.64 4604.53 4608.77 4609.10 4620.83 4639.25 4643.97 4647.94 4651.66 4658.89 4665.13 4669.14 4688.95 4691.55 4691.79 4698.12 4698.16 4703.01 4705.83 4709.97 4715.50 4717.29 4739.06 4740.39 4780.71 4797.55 4819.78 4821.22 4850.45 4856.26 4884.67 4885.85 4913.61 4913.99 5266.89 5836.10 0.728154 0.759499 0.760443 0.661694 -1567.444488 -1567.413143 -1567.412199 -1567.510948 3.312058D-04 MUNgauss RevisionA2.0 retrievium 20-Jan-2020 DUDE C[C@@H]1C[C@@H](CC(C1)(C)C)OC[C@@H](C[NH+]2CCC(CC2)CN3C(=O)c4cccc5c4c(ccc5)C3=O)O C08431530 RHF 6-31G(d) (6D,10F) C1 493.306633 |X|Y|Z| 45.592861 32.810141 198.334989 66.696251 30 6 7 8 27 2 1 |36.858105| |12.453873|36.858105| |8.957585|17.507989|0.500000| |7.542274|12.409509|0.247407|36.858105| |4.902783|7.523888|0.190416|12.490872|36.858105| |4.505939|6.746483|0.201014|8.853142|17.520935|0.500000| |4.361852|6.436521|0.158470|7.568463|12.505859|0.245570|36.858105| |4.846772|7.358650|0.185427|6.347704|7.415170|0.184054|12.350414|36.858105| |7.534269|12.414544|0.246370|7.565352|6.482919|0.157204|7.584165|12.349353|36.858105| |3.791733|4.879513|0.123651|4.391927|4.906788|0.123284|7.620427|12.409262|7.597831|36.858105| |4.175361|5.979639|0.183600|5.050984|6.017303|0.182289|7.505503|12.378755|7.499115|7.656632|36.858105| |3.840095|5.022728|0.128689|7.812227|13.371082|0.259585|8.073104|5.055758|4.515650|3.931420|4.306267|73.516695| |3.446553|4.223133|0.113898|6.145296|7.926427|0.207920|5.227188|3.856293|3.617204|3.101960|3.558933|24.398310|36.858105| |2.772481|3.231943|0.086436|4.306711|5.204852|0.135242|4.145981|3.148486|2.929106|2.701755|2.904657|14.659728|12.517434|36.858105| |2.790054|3.178817|0.082711|4.260535|4.838514|0.119170|3.996980|3.054020|2.905642|2.668959|2.732449|13.250735|8.979879|17.554176|0.500000| |2.417451|2.722154|0.074581|3.430488|3.882524|0.107065|3.181459|2.580503|2.447332|2.249045|2.466451|9.183395|7.531862|12.487741|0.244705|36.858105| |2.059283|2.289720|0.062592|2.777746|3.132411|0.085921|2.737105|2.260050|2.123824|2.033566|2.166291|7.109980|4.982789|7.671558|0.184174|12.734824|53.358707| |2.038836|2.299174|0.062953|2.773461|3.227812|0.088800|2.883232|2.355400|2.167877|2.133374|2.264670|7.374363|4.945994|7.596861|0.175361|9.482239|25.635128|0.500000| |1.971030|2.151658|0.057811|2.597575|2.841447|0.075625|2.545438|2.117145|2.016627|1.939518|1.988221|6.385374|4.183269|6.168729|0.180986|7.605116|17.260164|0.259243|36.858105| |1.716642|1.862428|0.050262|2.184215|2.387184|0.064068|2.212248|1.877415|1.777811|1.755948|1.778201|5.157209|3.218303|4.317061|0.123560|4.957175|10.408030|0.198390|12.509637|36.858105| |1.578057|1.700847|0.046462|1.962415|2.127588|0.058241|1.964051|1.699125|1.615431|1.586678|1.637981|4.466299|2.824315|3.580524|0.098111|4.356545|8.777805|0.162862|7.511133|12.431928|36.858105| |1.628947|1.774572|0.049065|2.047140|2.254295|0.062940|2.057679|1.777656|1.675670|1.642614|1.740641|4.723660|3.060055|3.850403|0.099354|4.971401|10.394012|0.197503|6.522177|7.630881|12.434110|36.858105| |1.842068|2.019759|0.056010|2.376509|2.625278|0.073773|2.318052|1.977264|1.871537|1.790216|1.935695|5.615584|3.853737|5.001794|0.123055|7.665574|17.262005|0.257351|7.690217|6.543819|7.534582|12.510409|36.858105| |1.414598|1.517804|0.041486|1.721636|1.861079|0.050975|1.754655|1.538771|1.459901|1.458002|1.488154|3.824549|2.346420|2.860040|0.078927|3.269774|5.949387|0.119176|4.916677|7.608066|12.440976|7.451418|4.880169|36.858105| |1.309805|1.396345|0.038411|1.565600|1.678072|0.046385|1.580319|1.405042|1.339711|1.331215|1.371885|3.385655|2.081310|2.454715|0.067047|2.825647|4.863585|0.096344|3.779638|4.974349|7.590281|6.149435|4.225845|13.027139|53.358707| |1.260905|1.349534|0.037361|1.501154|1.619604|0.045180|1.532957|1.370957|1.299414|1.301261|1.352100|3.235224|1.980549|2.297387|0.061700|2.623033|4.417672|0.090041|3.240607|4.030817|5.589424|5.544645|3.883158|7.779398|18.622066|36.858105| |1.297966|1.400905|0.038867|1.559529|1.703590|0.047698|1.619669|1.442689|1.354599|1.370396|1.428278|3.411623|2.081421|2.423847|0.064282|2.745009|4.671014|0.098575|3.316718|4.110907|5.428562|5.912238|4.065020|7.056267|11.533851|15.888359|73.516695| |1.164440|1.237782|0.034377|1.363089|1.457245|0.040800|1.381411|1.249926|1.191303|1.188701|1.238998|2.869210|1.749753|1.982343|0.053330|2.245122|3.622920|0.073197|2.642971|3.117722|4.043353|4.075661|3.151807|5.028494|10.590879|12.887088|14.383546|36.858105| |1.115240|1.187335|0.033120|1.297688|1.390960|0.039167|1.325342|1.207061|1.146732|1.150893|1.205373|2.712895|1.644699|1.836781|0.049065|2.056095|3.250114|0.066609|2.321619|2.665368|3.291270|3.465247|2.790996|3.884071|7.014661|7.742292|12.048138|13.937985|36.858105| |1.040124|1.101053|0.030759|1.194687|1.271020|0.035827|1.212877|1.113947|1.063436|1.064106|1.115056|2.455361|1.482929|1.632787|0.043772|1.814115|2.800893|0.057046|2.007966|2.253518|2.703204|2.813676|2.371448|3.087109|5.338998|5.063457|8.026649|7.909433|13.513220|36.858105| |1.012806|1.065637|0.029711|1.155530|1.219486|0.034267|1.160914|1.068485|1.026593|1.020297|1.065836|2.352753|1.422188|1.562278|0.042190|1.737705|2.664112|0.053590|1.937263|2.163276|2.590378|2.625387|2.246352|2.938631|5.127823|4.470365|6.763812|6.844544|7.930097|13.981574|36.858105| |1.049220|1.101387|0.030597|1.200797|1.262818|0.035322|1.197286|1.097162|1.057792|1.045626|1.087932|2.451565|1.488051|1.648594|0.044818|1.847328|2.857841|0.056805|2.113991|2.386673|2.915463|2.861399|2.421643|3.353810|6.140705|5.025996|7.074155|7.817231|6.804534|7.872087|13.434870|36.858105| |1.126072|1.187349|0.032907|1.305022|1.379735|0.038496|1.304676|1.185467|1.139322|1.127347|1.171042|2.706668|1.650918|1.858372|0.050522|2.103478|3.337639|0.066187|2.487986|2.891342|3.693809|3.552294|2.871439|4.455093|9.202880|7.605807|9.386842|13.471805|7.896174|6.820873|7.847582|13.557991|36.858105| |1.164971|1.223747|0.033752|1.352579|1.421701|0.039409|1.339051|1.211936|1.170631|1.150760|1.188276|2.806522|1.716966|1.949927|0.053636|2.217949|3.542735|0.069021|2.727467|3.208792|4.163397|3.726644|3.025190|5.042466|10.581151|6.623398|8.312182|7.749674|5.141528|4.528546|5.116312|7.818682|13.474642|36.858105| |1.116271|1.163470|0.032050|1.280194|1.332119|0.036851|1.254631|1.142426|1.111397|1.085968|1.118309|2.611687|1.592546|1.787259|0.049543|2.015955|3.139184|0.060748|2.437356|2.779715|3.420833|3.065657|2.624336|3.897269|7.010157|4.490159|6.224878|5.141254|3.948109|3.784294|4.517227|6.804192|7.895930|13.940003|36.858105| |1.041027|1.081949|0.029896|1.181025|1.225595|0.034026|1.157873|1.062442|1.035038|1.012046|1.044920|2.379480|1.444354|1.597708|0.044114|1.786449|2.728969|0.053227|2.081801|2.321639|2.773990|2.586467|2.266620|3.093668|5.336920|3.726188|5.383989|4.528169|3.784328|3.936013|5.108369|7.871811|6.820743|7.910698|13.512189|36.858105| |1.013247|1.056619|0.029302|1.149129|1.198268|0.033424|1.135198|1.044237|1.013184|0.995759|1.032706|2.317585|1.404341|1.546221|0.042347|1.725078|2.631655|0.051869|1.970439|2.193565|2.621800|2.523829|2.198895|2.941535|5.126880|3.862598|5.623633|5.115669|4.517270|5.108316|7.651161|13.433897|7.847464|6.845841|7.929891|13.982067|36.858105| |1.261095|1.330781|0.036543|1.486441|1.570302|0.043283|1.474887|1.320610|1.272159|1.251389|1.286163|3.144279|1.932028|2.245786|0.062147|2.577697|4.270307|0.082497|3.399059|4.233505|5.917259|4.740202|3.647868|7.838532|18.613707|7.704898|9.559684|6.631889|4.493848|3.728578|3.864768|5.028956|7.614018|12.893263|7.740801|5.063575|4.471661|36.858105| |1.298225|1.363468|0.037240|1.529916|1.603930|0.043883|1.502223|1.341784|1.300225|1.270560|1.296788|3.226050|1.982562|2.317528|0.065223|2.652339|4.369825|0.082849|3.649597|4.537124|6.018571|4.455179|3.612105|7.162339|11.558370|5.383032|7.543357|4.680320|3.503993|3.029567|3.163437|3.978444|5.281315|8.085237|6.764407|4.509314|3.802068|15.896476|73.516695| |2.499447|2.950152|0.079634|3.736517|4.779546|0.126873|4.193686|3.153911|2.802033|2.781664|2.946835|12.596904|7.921580|13.605687|0.258853|8.177590|9.892984|0.253809|5.738126|4.456909|3.651088|4.000572|4.852535|2.994246|3.448274|2.411299|4.639727|2.054048|1.918267|1.689443|1.597004|1.671584|1.891402|1.959439|1.774196|1.588328|1.550880|2.260257|4.079974|73.516695| |17.533913|8.771823|0.173905|6.815718|4.536411|0.110900|4.192356|4.504138|6.815260|3.724561|3.696635|6.638637|3.305779|2.735370|0.078365|2.367602|2.771961|0.055909|1.983970|1.729730|1.577424|1.609667|1.809424|1.416947|1.778893|1.251720|2.284702|1.154403|1.102060|1.027504|1.002669|1.041724|1.119248|1.162632|1.116348|1.039147|1.008199|1.261839|2.320385|4.377976|0.500000| |17.556197|8.779857|0.214139|5.481549|4.059594|0.107527|3.818042|4.498663|6.873673|3.672346|4.062957|5.756082|2.935425|2.420562|0.067249|2.145390|2.527947|0.051288|1.777903|1.569295|1.453629|1.501787|1.681925|1.314150|1.665571|1.183367|2.165700|1.098335|1.056391|0.988976|0.963066|0.994454|1.062727|1.095637|1.051798|0.985251|0.961304|1.179543|2.152088|3.957910|0.301673|0.500000| |17.541132|8.763677|0.214245|6.874639|4.534679|0.119592|3.815203|4.010319|5.474149|3.190632|3.637942|6.593128|3.506344|2.804751|0.078085|2.498064|2.864073|0.057207|2.006440|1.736139|1.606827|1.662867|1.896334|1.432472|1.812338|1.279512|2.332773|1.184117|1.132136|1.057205|1.031920|1.070936|1.148610|1.190452|1.143201|1.066300|1.036257|1.287012|2.358713|4.403212|0.301386|0.301861|0.500000| |6.926387|8.816685|0.174002|17.506103|8.935391|0.174490|6.864392|5.635658|6.818571|4.279596|4.263182|12.912292|5.581095|4.250992|0.124035|3.339313|3.747508|0.076048|2.656200|2.230616|1.976218|2.024771|2.328730|1.737070|2.136714|1.493738|2.748052|1.353607|1.282749|1.180477|1.145165|1.194750|1.300592|1.355747|1.286474|1.183452|1.146574|1.496051|2.756449|6.521840|0.205411|0.140871|0.171583|0.500000| |6.931563|8.831374|0.215671|17.522467|8.808250|0.214457|5.499996|4.769218|5.505972|3.533431|4.197665|12.365904|6.602178|4.464524|0.121168|3.695514|3.951928|0.078847|2.688706|2.230405|2.023499|2.122052|2.505898|1.757754|2.186139|1.535935|2.822935|1.397495|1.326962|1.222825|1.185970|1.235495|1.342631|1.395034|1.323000|1.219800|1.184566|1.531908|2.808202|6.551216|0.169427|0.141492|0.207685|0.302600|0.500000| |4.190732|5.672057|0.132151|6.880298|8.991389|0.174913|17.519518|8.816958|6.800869|7.202768|5.493616|13.400598|4.874784|4.111381|0.116021|3.113389|3.703699|0.079320|2.606785|2.267151|1.982418|2.039976|2.278035|1.775516|2.161363|1.528570|2.860155|1.374165|1.312093|1.200096|1.152034|1.192806|1.302159|1.343808|1.261653|1.161066|1.133819|1.486461|2.708521|7.345406|0.118667|0.101134|0.101340|0.204884|0.140854|0.500000| |3.524667|4.827404|0.127487|5.518284|8.891276|0.215600|17.527560|8.774968|5.503105|6.837482|7.008491|13.065751|5.023213|4.198438|0.109242|3.229551|3.862241|0.085077|2.601939|2.289192|2.032340|2.148805|2.401174|1.823549|2.228453|1.598994|3.031343|1.434519|1.381232|1.258816|1.197912|1.231102|1.344495|1.372660|1.278324|1.179273|1.160811|1.513721|2.723541|8.130717|0.094047|0.088315|0.088344|0.140892|0.123605|0.303102|0.500000| |6.915739|8.830847|0.214465|5.505362|4.853284|0.126557|5.512420|8.814871|17.527596|6.847967|7.021769|6.439514|3.044048|2.525902|0.069370|2.168238|2.594133|0.053969|1.812115|1.616521|1.483511|1.539386|1.705664|1.350988|1.699506|1.215832|2.250153|1.121464|1.083788|1.009584|0.975392|1.002165|1.074327|1.100708|1.047937|0.980375|0.961541|1.188994|2.155445|4.331594|0.169295|0.207271|0.141188|0.139792|0.123486|0.139388|0.123279|0.500000| |7.016701|8.898405|0.174436|6.836332|5.687697|0.131144|6.802575|8.847240|17.491092|7.230581|5.499703|7.692383|3.439878|2.872468|0.081314|2.385837|2.845936|0.059126|2.022834|1.786239|1.609577|1.649380|1.830962|1.458193|1.814309|1.285973|2.375997|1.177655|1.129783|1.047656|1.013830|1.047727|1.129516|1.165327|1.108786|1.030841|1.005902|1.269505|2.317621|4.869449|0.208735|0.173707|0.142085|0.201859|0.140303|0.199568|0.139300|0.303899|0.500000| |3.185359|4.019536|0.105782|3.819429|4.511093|0.116800|6.922279|8.749985|5.494919|17.536865|6.979802|6.752777|3.024323|2.693759|0.073157|2.247177|2.803536|0.060782|1.954599|1.786679|1.614706|1.678105|1.815040|1.491297|1.850247|1.335322|2.515145|1.217010|1.181938|1.090276|1.041075|1.063865|1.148259|1.167549|1.097402|1.022708|1.009274|1.270161|2.282719|5.087565|0.086599|0.085551|0.076998|0.102817|0.088034|0.178525|0.203774|0.140248|0.144765|0.500000| |3.672267|4.491883|0.116979|3.819413|4.039847|0.105422|5.507797|8.764878|6.910084|17.547613|6.980518|5.835245|2.700266|2.366452|0.064907|2.017664|2.496227|0.053122|1.752314|1.598229|1.458490|1.509453|1.637398|1.347832|1.687443|1.215135|2.268818|1.117121|1.085063|1.008047|0.968016|0.989880|1.062268|1.082274|1.024835|0.959099|0.944849|1.170152|2.109611|4.295153|0.099349|0.103305|0.085523|0.102695|0.088051|0.144467|0.140088|0.204301|0.179461|0.301801|0.500000| |3.744431|4.599541|0.111394|4.308260|4.621512|0.111145|6.942317|8.742203|6.924177|17.545365|5.518045|6.901395|3.040212|2.700550|0.075852|2.232306|2.763602|0.058958|1.969638|1.783713|1.597383|1.634596|1.774720|1.469644|1.818314|1.298109|2.422214|1.183910|1.141641|1.055135|1.014362|1.043078|1.126125|1.154635|1.091718|1.015259|0.995589|1.259327|2.284098|4.909429|0.107005|0.099246|0.087250|0.124056|0.096063|0.217244|0.167635|0.167798|0.218162|0.301404|0.301663|0.500000| |4.441408|6.544332|0.229857|5.542024|6.564670|0.226469|6.724495|8.643122|6.742676|5.500340|17.571046|8.082135|3.903253|3.071007|0.078867|2.636185|3.091243|0.065457|2.054781|1.820260|1.688118|1.810389|2.039898|1.521713|1.915772|1.387709|2.602669|1.272800|1.237637|1.144998|1.094949|1.118136|1.203608|1.221187|1.149136|1.073708|1.061249|1.320713|2.365646|5.420847|0.105008|0.118255|0.111015|0.122214|0.132740|0.137177|0.172132|0.172964|0.137374|0.141367|0.141526|0.122133|0.500000| |4.017845|5.311346|0.164216|4.232211|4.601871|0.136148|5.468716|8.774551|6.836088|7.010306|17.550807|6.210952|2.988592|2.500607|0.066092|2.171630|2.627644|0.055732|1.788353|1.615214|1.498467|1.585254|1.747561|1.371862|1.732385|1.256698|2.352257|1.159011|1.130867|1.051507|1.007044|1.025900|1.098954|1.113604|1.052119|0.987181|0.976529|1.198717|2.147793|4.486096|0.098597|0.114642|0.096562|0.102372|0.100729|0.123140|0.142163|0.210398|0.142483|0.173097|0.211071|0.142071|0.302905|0.500000| |3.406912|4.581784|0.137133|4.238772|5.347886|0.164170|6.851397|8.762090|5.462419|6.997226|17.538536|7.364293|3.451627|2.899399|0.074925|2.468142|2.995595|0.064821|2.006083|1.811243|1.670157|1.784995|1.969898|1.524526|1.910581|1.391473|2.630971|1.272103|1.242155|1.146151|1.090367|1.109274|1.195355|1.207550|1.131464|1.057286|1.048464|1.307370|2.332140|5.417380|0.086178|0.091752|0.084859|0.102612|0.100856|0.142325|0.210354|0.142252|0.123229|0.210631|0.172646|0.141913|0.302316|0.302064|0.500000| |3.746690|4.401731|0.117550|6.573748|6.886659|0.178891|4.567963|3.584827|3.574575|2.886607|3.293966|16.419371|17.531961|8.845345|0.217175|6.769880|6.113879|0.117596|3.937911|3.020471|2.687607|2.866719|3.616556|2.232362|2.723973|1.890936|3.485410|1.686567|1.580332|1.434827|1.386918|1.457134|1.609463|1.684697|1.577545|1.432852|1.386023|1.887159|3.471184|10.144038|0.099879|0.086865|0.109856|0.167298|0.224748|0.121099|0.116415|0.084109|0.095209|0.076563|0.071055|0.079304|0.101271|0.078634|0.086414|0.500000| |3.262264|4.033640|0.114877|5.413147|7.176360|0.227474|4.885711|3.767717|3.459070|3.008444|3.701081|16.552956|17.498468|8.848553|0.174677|6.964432|6.459128|0.133475|3.783198|3.013455|2.736057|3.066807|3.888334|2.288928|2.802126|1.989223|3.743832|1.765619|1.674199|1.510473|1.440975|1.497160|1.655419|1.703670|1.574700|1.436099|1.406441|1.900253|3.424018|12.586491|0.084625|0.078849|0.092720|0.129229|0.162882|0.119814|0.135947|0.082560|0.088673|0.082533|0.073611|0.079784|0.116562|0.085893|0.101256|0.299848|0.500000| |2.434500|2.671035|0.072797|3.356971|3.587772|0.097938|2.925121|2.424990|2.363469|2.115735|2.304993|8.143909|6.493223|8.733308|0.216312|17.620741|12.328006|0.182904|7.118800|4.631892|4.168727|4.524348|6.761359|3.129287|3.741666|2.512088|4.563569|2.181204|1.983611|1.766964|1.713341|1.836894|2.082603|2.226126|2.051633|1.814880|1.735387|2.579589|4.802956|10.327171|0.066591|0.059788|0.071002|0.091901|0.103308|0.080347|0.080427|0.058442|0.064444|0.058009|0.053191|0.058706|0.068591|0.057025|0.063142|0.188577|0.161797|0.500000| |2.391809|2.715426|0.076187|3.353596|3.848638|0.111485|3.128395|2.577864|2.426630|2.226242|2.535241|8.640450|7.142454|8.869014|0.173984|17.624261|12.477142|0.221607|5.608569|4.171145|3.932680|4.793060|7.469428|3.043319|3.689337|2.584779|4.856075|2.237306|2.077582|1.837641|1.749044|1.840397|2.080372|2.157679|1.957165|1.752675|1.709963|2.461411|4.415664|12.570248|0.063974|0.059425|0.068961|0.087797|0.101187|0.082631|0.089164|0.060187|0.064586|0.062041|0.055809|0.060444|0.076478|0.061935|0.070874|0.175740|0.218281|0.300532|0.500000| |2.109200|2.317068|0.061399|2.842224|3.128422|0.081149|2.821483|2.301878|2.186666|2.112986|2.119868|7.252006|4.587281|7.094676|0.236855|7.118885|12.369949|0.225397|17.665072|8.817282|5.481510|4.900740|5.616202|4.088851|4.368219|2.813031|5.162419|2.338231|2.087260|1.825062|1.761184|1.905299|2.208221|2.400059|2.175921|1.883709|1.787645|2.922029|5.576070|11.668974|0.059512|0.052484|0.059123|0.082251|0.080527|0.081854|0.079801|0.054042|0.061528|0.059041|0.052528|0.060204|0.060364|0.052669|0.059272|0.118166|0.110050|0.181725|0.143721|0.500000| |1.966984|2.112429|0.056735|2.543261|2.698660|0.071914|2.387720|2.015120|1.954731|1.838406|1.893546|5.936104|3.946323|5.422708|0.162886|7.002584|12.429494|0.182056|17.601296|8.786072|6.756945|5.755696|7.034847|4.508657|4.965093|3.079798|5.432233|2.574075|2.246636|1.967323|1.925217|2.122556|2.484334|2.774943|2.526004|2.147623|2.006389|3.442426|6.774483|8.286182|0.055113|0.049216|0.056232|0.072464|0.074403|0.067893|0.066652|0.048980|0.054560|0.050965|0.046468|0.051924|0.054661|0.047622|0.052529|0.108604|0.098956|0.216439|0.146155|0.300721|0.500000| |1.702978|1.866003|0.050380|2.179219|2.426523|0.065117|2.290464|1.933446|1.804485|1.823651|1.832357|5.248304|3.191641|4.270248|0.120120|4.602500|9.333460|0.208694|8.886049|17.506249|8.795285|6.810949|5.699574|7.004585|6.282566|3.965398|7.572301|3.041526|2.656149|2.231421|2.109525|2.287330|2.750090|2.959674|2.551554|2.168139|2.081384|3.787703|6.920000|8.500557|0.047615|0.043373|0.047430|0.061696|0.060956|0.065246|0.066874|0.045551|0.050325|0.052066|0.045919|0.051416|0.051731|0.046106|0.052357|0.081128|0.083628|0.113968|0.110524|0.216370|0.173300|0.500000| |1.659769|1.781221|0.047741|2.076371|2.231526|0.059301|2.088629|1.787296|1.707793|1.686448|1.679081|4.761375|2.906943|3.769883|0.112432|4.128558|7.606293|0.145169|8.997332|17.568039|8.789861|5.524758|4.906069|6.913210|6.343160|3.682669|6.463240|2.930865|2.496010|2.141691|2.085575|2.323172|2.794833|3.176759|2.811955|2.332096|2.170134|4.214031|8.493325|6.760586|0.046843|0.042212|0.046565|0.059632|0.058704|0.060163|0.059486|0.043244|0.048085|0.047469|0.042773|0.047978|0.047481|0.042618|0.047275|0.077168|0.074728|0.111887|0.097141|0.213888|0.214835|0.303492|0.500000| |1.563979|1.667846|0.045532|1.921396|2.046870|0.055982|1.873889|1.633150|1.571550|1.520129|1.572634|4.260894|2.716146|3.372136|0.093750|4.169946|7.772572|0.135940|6.841256|8.914458|17.545293|8.879391|6.849987|8.943628|9.580167|5.015285|8.109793|3.896512|3.136287|2.640959|2.598031|2.990871|3.771763|4.479649|3.775398|2.991379|2.753660|6.495342|12.935493|5.841719|0.043493|0.039999|0.044535|0.053872|0.055558|0.052594|0.053240|0.040178|0.043566|0.042659|0.038977|0.042578|0.045184|0.040126|0.044198|0.073533|0.072759|0.117354|0.104305|0.140008|0.200988|0.173891|0.215793|0.500000| |1.611404|1.771445|0.049075|2.033835|2.277528|0.063818|2.108911|1.817507|1.690765|1.689352|1.787816|4.763758|3.025320|3.788202|0.096376|4.609960|9.307997|0.207123|5.681995|6.803304|8.798345|17.541620|8.864314|6.878963|7.612249|5.540491|11.856994|4.000769|3.528387|2.823990|2.570259|2.731882|3.351477|3.385670|2.785435|2.396736|2.380851|4.167968|6.825924|7.457765|0.044154|0.041396|0.045353|0.055695|0.057879|0.057883|0.062074|0.043164|0.046120|0.048385|0.043023|0.046545|0.051393|0.045126|0.051457|0.076962|0.085140|0.111666|0.126276|0.127794|0.132262|0.198649|0.139097|0.173609|0.500000| |1.530087|1.654970|0.046036|1.884715|2.053565|0.057823|1.877581|1.646370|1.560196|1.523585|1.626572|4.209128|2.714271|3.262931|0.084363|4.146995|7.605376|0.144754|4.892971|5.521791|8.773430|17.596163|9.006089|6.698973|9.144889|6.462893|11.681452|4.812705|4.022821|3.214511|2.986049|3.267537|4.123915|4.221256|3.387171|2.860770|2.825969|5.193189|8.190789|5.930664|0.041866|0.039410|0.043548|0.051534|0.054497|0.051447|0.054269|0.040104|0.042535|0.043173|0.039175|0.041976|0.047122|0.041433|0.046276|0.071692|0.076631|0.108625|0.115707|0.107875|0.129022|0.139169|0.123208|0.214185|0.305075|0.500000| |1.838267|1.986707|0.055022|2.333905|2.510677|0.070308|2.196310|1.892901|1.821225|1.709279|1.847796|5.300298|3.664967|4.575756|0.116757|7.049349|12.428300|0.181376|7.033955|5.774252|6.773552|8.770975|17.597977|4.480154|5.506789|3.617781|6.423704|3.039302|2.665670|2.307074|2.229208|2.436150|2.867800|3.091910|2.736970|2.353331|2.250411|3.702796|6.698334|7.370130|0.050245|0.046566|0.053083|0.063761|0.069359|0.060169|0.062185|0.046232|0.049623|0.047705|0.043656|0.047211|0.054296|0.046617|0.051681|0.099818|0.101391|0.203548|0.186433|0.144107|0.212719|0.132587|0.129461|0.201265|0.172972|0.214370|0.500000| |1.866903|2.064035|0.057987|2.412014|2.696433|0.077548|2.365384|2.027377|1.906006|1.821741|2.018396|5.678143|3.941077|4.837314|0.113676|7.233046|12.393995|0.223410|5.618632|4.906246|5.484108|8.798575|17.626392|4.044472|5.009334|3.579423|6.829423|2.991290|2.734486|2.340779|2.193036|2.316962|2.694954|2.756436|2.406741|2.124903|2.094458|3.190525|5.497648|8.527021|0.050403|0.047506|0.053456|0.064507|0.070853|0.063477|0.068553|0.048386|0.051226|0.051461|0.046372|0.049647|0.059620|0.050508|0.057336|0.101390|0.116220|0.169762|0.236281|0.126834|0.144244|0.127935|0.107987|0.139948|0.215208|0.213948|0.301106|0.500000| |1.405081|1.518066|0.041547|1.716589|1.877263|0.051514|1.789032|1.566617|1.471973|1.492446|1.519106|3.853476|2.335306|2.841401|0.077632|3.167626|5.738618|0.121523|4.544499|6.828688|8.822979|6.854371|4.554957|17.671818|12.591842|7.666356|14.818409|4.853335|3.948418|3.086057|2.850400|3.137813|4.055870|4.263900|3.356542|2.776663|2.713728|5.813866|9.238247|5.476894|0.039037|0.036337|0.039307|0.047993|0.048295|0.050207|0.052169|0.037849|0.040778|0.042709|0.038261|0.041708|0.042968|0.038850|0.043545|0.060844|0.063665|0.082049|0.082833|0.109057|0.110970|0.206216|0.166888|0.174569|0.207291|0.167501|0.111163|0.109114|0.500000| |1.385429|1.477279|0.040144|1.672848|1.792257|0.048667|1.699798|1.494625|1.425585|1.424434|1.434489|3.673498|2.226615|2.698307|0.076241|3.006419|5.283409|0.105049|4.637924|7.143205|8.904554|5.486250|4.086437|17.654348|12.594138|5.902122|9.372076|4.317033|3.400617|2.805941|2.735184|3.155338|4.080830|4.839046|3.923440|3.079476|2.856233|7.532426|14.208786|4.966237|0.038783|0.035760|0.038910|0.047294|0.047307|0.048199|0.048792|0.036666|0.039810|0.040361|0.036615|0.040135|0.040568|0.036840|0.040676|0.059309|0.059598|0.081287|0.076614|0.111088|0.121040|0.179303|0.214139|0.214748|0.141581|0.138217|0.108026|0.095063|0.301639|0.500000| 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