Version2.0 2020-07-19T18:34:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 09-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1cccc(c1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCC4CC[NH+](CC4)C5CCCC5 C39689255 RHF 6-31G(d) (6D,7F) CCOc1cccc(c1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCC4CC[NH+](CC4)C5CCCC5 C01[X(C29H46N4O3)] 240 C1 632 CCOc1cccc(c1)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCC1CC[NH+](CC1)C1CCCC1 CCOc1cccc(c1)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCC1CC[NH+](CC1)C1CCCC1 CCOc1cccc(c1)C(=O)N2C[C@@H](C(=O)NCC3CC[NH+](CC3)C4CCCC4)C5(CC[NH2+]CC5)C2 InChIKey=BHOFBDWSTVENJA-SANMLTNESA-P InChI=1S/C29H44N4O3/c1-2-36-25-9-5-6-23(18-25)28(35)33-20-26(29(21-33)12-14-30-15-13-29)27(34)31-19-22-10-16-32(17-11-22)24-7-3-4-8-24/h5-6,9,18,22,24,26,30H,2-4,7-8,10-17,19-21H2,1H3,(H,31,34)/p+2/t26-/m0/s1 InChI=1/C29H44N4O3/c1-2-36-25-9-5-6-23(18-25)28(35)33-20-26(29(21-33)12-14-30-15-13-29)27(34)31-19-22-10-16-32(17-11-22)24-7-3-4-8-24/h5-6,9,18,22,24,26,30H,2-4,7-8,10-17,19-21H2,1H3,(H,31,34)/p+2/t26-/m0/s1/fC29H46N4O3/h30-32H/q+2 CCOc1cccc(c1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCC4CC[NH+](CC4)C5CCCC5 C01[X(C29H46N4O3)] 240 C01 632 CCOc1cccc(c1)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCC1CC[NH+](CC1)C1CCCC1 CCO[C]1[CH][CH][CH][C]([CH]1)C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)C(=O)NC[C@@H]1CC[N@H](CC1)C1CCCC1 CCO[C]1[CH][CH][CH][C]([CH]1)C(=O)N2C[C@@H](C(=O)NCC3CC[NH](CC3)C4CCCC4)C5(CC[NH2]CC5)C2 InChIKey=ZNQOAQSJLNRLKZ-SANMLTNESA-N InChI=1S/C29H46N4O3/c1-2-36-25-9-5-6-23(18-25)28(35)33-20-26(29(21-33)12-14-30-15-13-29)27(34)31-19-22-10-16-32(17-11-22)24-7-3-4-8-24/h5-6,9,18,22,24,26,32H,2-4,7-8,10-17,19-21,30H2,1H3,(H,31,34)/t26-/m0/s1 InChI=1/C29H46N4O3/c1-2-36-25-9-5-6-23(18-25)28(35)33-20-26(29(21-33)12-14-30-15-13-29)27(34)31-19-22-10-16-32(17-11-22)24-7-3-4-8-24/h5-6,9,18,22,24,26,32H,2-4,7-8,10-17,19-21,30H2,1H3,(H,31,34)/t26-/m0/s1/f/h31H 3920.7002468175 -1566.9355753 1-A 32201.4720 135 497 632 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.71491 -20.70600 -20.66594 -15.92201 -15.89699 -15.76903 -15.74110 -11.53636 -11.51051 -11.51001 -11.49147 -11.49050 -11.49047 -11.48541 -11.45257 -11.44764 -11.44525 -11.44064 -11.43861 -11.43573 -11.43446 -11.43301 -11.43239 -11.43173 -11.42549 -11.41623 -11.41560 -11.39704 -11.38978 -11.38785 -11.37743 -11.36246 -11.36098 -11.35562 -11.35362 -11.32532 -1.58265 -1.55695 -1.53912 -1.53901 -1.53641 -1.42589 -1.41954 -1.32909 -1.31731 -1.29600 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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 11611.5514 49915.7970 53044.0513 0.99999 0.00258 0.00465 -0.00258 1.00000 -0.00104 -0.00465 0.00103 0.99999 1 0.00746 0.00174 0.00163 0.15543 0.03616 0.03402 10.50 20.04 25.09 35.87 42.22 62.73 67.24 79.94 86.19 93.95 99.16 140.05 152.58 157.68 162.10 167.42 188.29 207.51 247.98 267.22 275.77 310.78 327.24 332.03 354.95 367.52 377.57 389.11 406.04 416.31 426.39 443.43 456.79 482.33 511.98 522.88 564.14 581.87 602.26 605.78 615.41 654.21 676.01 694.07 712.00 721.44 731.74 751.12 791.10 814.45 831.55 850.52 893.00 924.79 932.68 969.95 1008.54 1027.05 1065.72 1081.60 1103.78 1159.80 1210.88 1221.66 1222.06 1227.69 1250.26 1252.06 1258.11 1278.70 1292.90 1297.04 1306.78 1315.94 1336.84 1349.41 1353.51 1363.92 1372.83 1390.63 1421.64 1439.82 1454.05 1455.80 1468.86 1481.12 1482.65 1499.77 1513.97 1528.18 1536.46 1543.97 1556.99 1559.09 1561.89 1575.11 1589.15 1590.31 1612.96 1622.54 1631.73 1638.93 1642.00 1654.69 1657.71 1683.23 1692.53 1723.65 1738.61 1743.49 1751.31 1762.33 1769.86 1779.76 1806.97 1814.46 1818.23 1843.54 1850.01 1868.34 1891.00 1899.84 1911.69 1916.88 1918.52 1928.68 1940.86 1942.65 1970.79 1988.50 1993.16 1999.18 2024.33 2027.87 2051.56 2053.46 2063.08 2063.68 2076.19 2086.50 2087.51 2092.60 2096.07 2099.12 2106.80 2124.03 2147.10 2149.81 2155.59 2157.86 2172.46 2178.52 2193.70 2196.46 2202.77 2220.03 2225.26 2227.52 2240.22 2244.83 2249.38 2259.33 2260.10 2268.63 2270.27 2275.64 2280.94 2287.48 2317.69 2335.06 2343.49 2345.10 2346.35 2350.32 2359.14 2360.33 2360.61 2363.78 2365.57 2365.66 2368.37 2386.04 2386.78 2392.78 2404.40 2417.39 2418.50 2432.87 2457.22 2567.43 2604.22 2630.58 2787.04 2795.31 4588.63 4595.72 4597.41 4609.77 4616.77 4617.43 4624.55 4632.90 4634.93 4651.57 4651.88 4662.35 4685.08 4687.62 4689.73 4695.11 4698.25 4702.51 4707.48 4719.07 4719.55 4726.66 4726.80 4730.56 4735.12 4738.39 4742.44 4745.84 4746.16 4749.72 4760.37 4764.22 4764.44 4802.13 4806.59 4815.18 4827.27 4829.63 4864.98 4886.50 4905.63 4915.17 5270.63 5296.40 5359.65 5551.98 0.796576 0.829377 0.830321 0.726752 -1566.138999 -1566.106198 -1566.105254 -1566.208823 3.473721D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE CCOc1cccc(c1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCC4CC[NH+](CC4)C5CCCC5 C39689255 RHF 6-31G(d) (6D,10F) C1 498.356992 |X|Y|Z| 50.551597 65.769799 159.122874 80.878174 31 6 7 27 4 |36.858105| |12.581930|36.858105| |8.058719|13.469642|73.516695| |5.230541|7.964243|25.210773|36.858105| |4.389199|6.665019|13.985149|13.732961|36.858105| |3.333626|4.489662|9.244570|7.935041|13.710523|36.858105| |2.972598|3.772428|8.198512|6.826376|7.897727|13.809758|36.858105| |3.200761|3.972971|9.417030|7.905975|6.865537|7.974916|13.680350|36.858105| |4.096136|5.247987|14.623159|13.676229|7.936032|6.904012|7.913446|13.769210|36.858105| |2.663633|3.105854|7.001944|5.016626|4.460019|5.089924|7.705825|12.716206|7.552935|36.858105| |2.350514|2.708054|5.834371|4.053783|3.830666|4.525452|6.647884|8.076340|5.402965|15.885473|73.516695| |2.579564|2.901529|6.541441|4.349166|3.722193|3.963268|5.237706|7.694925|6.318345|13.878083|15.245656|53.358707| |2.183016|2.389597|5.151462|3.280384|2.921727|3.124997|3.947674|5.018050|4.303493|7.901216|12.864154|17.830399|36.858105| |2.101160|2.245481|4.785830|2.927365|2.588480|2.682384|3.210346|3.951418|3.679599|5.210107|8.226577|10.972676|12.321644|36.858105| |1.879941|1.999691|4.169071|2.538342|2.300318|2.405940|2.843929|3.344796|3.084455|4.285052|7.180977|7.949004|8.748948|17.545201|0.500000| |2.284311|2.465979|5.318147|3.268760|2.870283|2.946773|3.494479|4.322184|4.102282|5.267745|7.717493|11.018457|7.887809|12.264112|0.241241|36.858105| |2.745545|3.046432|6.943079|4.422388|3.677445|3.718823|4.540518|6.292849|6.129858|7.505217|9.469640|17.841617|7.878569|7.953834|0.158065|12.346415|36.858105| |2.064146|2.258464|4.743824|2.976388|2.748128|2.925282|3.484819|4.010460|3.593774|4.806341|7.465744|8.539570|6.355109|7.597703|0.202692|12.292054|7.485552|36.858105| |2.108912|2.318962|4.802250|2.995356|2.819558|2.974097|3.401633|3.744984|3.453223|4.040636|6.242007|6.485255|4.379021|4.881802|0.129676|7.394942|5.992078|12.500278|36.858105| |2.076804|2.224339|4.546164|2.720303|2.520848|2.561889|2.820632|3.123426|3.051915|3.280370|5.100893|5.298168|3.651484|4.351535|0.116581|6.420605|5.071781|7.675264|12.652605|53.358707| |2.067987|2.213781|4.451825|2.643430|2.485509|2.508888|2.696090|2.914138|2.878386|2.959189|4.636078|4.592755|3.119213|3.560434|0.095478|4.895968|4.263625|5.670864|9.172214|25.668737|0.500000| |1.883291|1.997511|4.034690|2.399369|2.239309|2.287285|2.517565|2.762624|2.681059|2.957368|4.718097|4.759601|3.450323|4.214848|0.118875|5.731206|4.319788|6.988872|9.195334|25.671836|0.328587|0.500000| |2.304386|2.425772|5.048877|2.940641|2.618881|2.580114|2.826235|3.259311|3.341577|3.401909|5.155896|5.720285|3.848259|4.811994|0.121367|7.462862|5.989342|6.520370|7.597563|17.214782|0.254463|0.255418|36.858105| |2.238390|2.348332|4.959242|2.910216|2.552818|2.540738|2.864657|3.415311|3.450710|3.806513|5.767706|6.942071|4.971723|7.300363|0.174507|12.381535|7.388031|7.623610|6.480760|10.428238|0.157295|0.194518|12.497501|36.858105| |2.129947|2.217975|4.706789|2.775765|2.408491|2.424040|2.812120|3.461215|3.426528|4.286050|6.848403|8.181270|7.612707|12.451688|0.248190|7.293143|6.109794|4.877187|3.692314|4.857828|0.084172|0.096811|4.196965|6.229122|36.858105| |2.334329|2.389106|5.110860|2.926982|2.480048|2.429275|2.756779|3.423940|3.581001|3.989194|6.181495|7.366881|5.745903|7.887936|0.167003|6.533233|6.103515|4.315879|3.512522|4.818699|0.084738|0.094206|4.433625|6.463729|15.846040|73.516695| |1.905213|1.971292|4.092719|2.405992|2.130763|2.161205|2.487402|2.963926|2.894322|3.648550|6.201760|6.330185|6.165314|7.851623|0.206114|5.000042|4.372340|3.893027|3.038556|3.987482|0.070722|0.081317|3.285240|4.446179|14.024048|15.112709|53.358707| |1.876530|1.909630|3.918546|2.258160|1.995546|1.996584|2.253315|2.655893|2.659856|3.140234|5.392801|5.116647|4.506633|5.042353|0.131579|3.762361|3.548626|3.038475|2.507546|3.341848|0.060749|0.067822|2.764105|3.523631|7.741344|12.094038|17.817575|36.858105| |1.692357|1.699907|3.421300|1.945982|1.740520|1.733499|1.920906|2.210085|2.228819|2.530455|4.360695|4.020679|3.421395|3.928043|0.108223|3.146170|2.899175|2.634443|2.237487|3.060781|0.056197|0.063157|2.518597|3.126929|5.427661|9.162216|10.320100|12.434688|36.858105| |1.624493|1.615505|3.209102|1.807492|1.624214|1.608507|1.760327|2.001511|2.035487|2.243433|3.903582|3.440921|2.829279|3.069563|0.083637|2.569608|2.459024|2.203034|1.918873|2.619191|0.048872|0.053698|2.136651|2.548946|3.954845|6.979710|6.770167|7.592170|12.429614|36.858105| |1.475587|1.457639|2.857101|1.600008|1.451345|1.435007|1.553563|1.740743|1.772614|1.919993|3.342189|2.913307|2.360553|2.580811|0.071581|2.234061|2.118064|1.957636|1.736851|2.402100|0.045212|0.049666|1.944872|2.269506|3.174077|5.662516|5.139862|4.910190|7.503594|12.508480|36.858105| |1.502094|1.471557|2.879271|1.597632|1.443655|1.416893|1.524311|1.710040|1.759911|1.864677|3.199339|2.853295|2.273939|2.549669|0.070409|2.265759|2.131319|1.972494|1.770928|2.497519|0.047111|0.051785|2.049024|2.379197|3.144292|5.810701|4.839570|4.356829|6.406337|7.612588|12.661338|53.358707| |1.588928|1.543704|3.020289|1.660819|1.490903|1.452026|1.555396|1.752366|1.824290|1.894409|3.226988|2.894089|2.269322|2.528061|0.068538|2.273368|2.174301|1.959153|1.769742|2.500778|0.047312|0.051411|2.074030|2.396121|3.145903|5.998135|4.712726|4.293626|5.853413|7.124298|9.310459|25.682622|0.500000| |1.550864|1.529865|3.019412|1.684990|1.518521|1.495206|1.619397|1.827749|1.873255|2.011869|3.424020|3.144663|2.537735|2.966864|0.082925|2.619580|2.388121|2.254969|2.004517|2.860995|0.053385|0.059903|2.369000|2.815367|3.728589|6.861869|5.721543|4.875687|7.507458|6.546573|7.716188|17.237393|0.258873|36.858105| |1.727795|1.716771|3.447379|1.934452|1.721346|1.695897|1.859298|2.139035|2.194328|2.396304|4.038254|3.847394|3.155563|3.801773|0.103895|3.223717|2.919940|2.662542|2.305833|3.259878|0.059878|0.067607|2.752640|3.425385|5.248265|9.771080|8.327061|7.469396|12.447209|7.642736|6.539398|10.347280|0.197727|12.488167|36.858105| |1.363082|1.330994|2.573444|1.424871|1.299864|1.276069|1.361676|1.508278|1.549633|1.626778|2.803130|2.455679|1.938064|2.150167|0.059922|1.953303|1.839724|1.738362|1.585560|2.246932|0.042811|0.046802|1.820203|2.061860|2.544279|4.671285|3.819781|3.252987|4.324636|4.938791|7.607084|17.108959|0.258626|7.557113|4.920613|36.858105| |1.316474|1.278952|2.453124|1.352643|1.237909|1.212115|1.285574|1.415989|1.459050|1.514386|2.621517|2.252652|1.759319|1.906640|0.052709|1.743580|1.673226|1.562032|1.434915|2.018003|0.038716|0.041741|1.625835|1.817062|2.226486|4.096596|3.317940|2.845025|3.564598|4.332560|6.299618|10.205880|0.197973|4.897012|3.779055|12.339239|36.858105| |1.243339|1.202119|2.286884|1.255592|1.154241|1.127222|1.187030|1.298620|1.341555|1.375107|2.374707|2.034777|1.572349|1.703361|0.047129|1.586935|1.524438|1.435144|1.335603|1.891954|0.036571|0.039185|1.518978|1.669631|1.952152|3.609819|2.843351|2.359389|2.840227|3.239501|4.216495|6.889311|0.139141|3.896234|3.084286|7.741082|12.287328|36.858105| |1.242811|1.203708|2.294343|1.261011|1.159320|1.132994|1.194088|1.306858|1.348802|1.384885|2.380880|2.064507|1.597230|1.757172|0.048917|1.649140|1.563950|1.493889|1.394850|1.997403|0.038602|0.041642|1.606093|1.762251|2.006692|3.715894|2.895920|2.350279|2.848501|3.075958|3.921992|6.879729|0.134249|4.267615|3.234220|8.003655|7.729281|12.381467|36.858105| |1.356964|1.316598|2.533587|1.393442|1.271384|1.241720|1.316343|1.454277|1.503929|1.551784|2.652242|2.344074|1.823814|2.041001|0.056709|1.900923|1.786960|1.696375|1.569809|2.258594|0.043298|0.047135|1.839155|2.051608|2.383236|4.452300|3.451978|2.828616|3.560575|3.767535|4.901003|10.149138|0.192831|6.318861|4.311644|12.436026|7.816385|7.848224|12.438281|36.858105| |17.581943|8.864460|12.905660|4.905809|4.018934|3.147677|2.884717|3.166920|4.059486|2.685960|4.237437|3.550893|2.224334|2.132359|0.052830|2.274260|2.733037|2.029066|2.034704|2.723142|0.054750|0.050750|2.234266|2.218833|2.199005|4.309383|2.695137|1.977492|1.776534|1.720000|1.553978|2.145367|0.046572|1.614824|1.804574|1.424071|1.381945|1.299670|1.291081|1.410994|0.500000| |17.568288|8.890249|10.233719|4.238344|3.836603|3.000062|2.649988|2.774077|3.391987|2.343616|3.742702|3.078139|1.947761|1.878828|0.047234|2.030316|2.386310|1.862750|1.912995|2.571480|0.052622|0.047935|2.067930|1.998688|1.899754|3.666946|2.340236|1.699263|1.548447|1.496026|1.370548|1.898801|0.040912|1.433511|1.579963|1.276542|1.239019|1.176824|1.175054|1.273904|0.300691|0.500000| |17.573826|8.859316|12.914522|4.849717|4.004755|3.121449|2.844247|3.109400|3.976789|2.628410|4.084192|3.553673|2.210795|2.170608|0.053855|2.396330|2.864543|2.147982|2.216333|3.024204|0.061735|0.055702|2.505530|2.398856|2.208066|4.358243|2.660788|1.916902|1.738499|1.657857|1.511140|2.114307|0.045732|1.614469|1.798878|1.409480|1.354049|1.282521|1.289591|1.413401|0.300666|0.300758|0.500000| |8.850008|17.554362|16.501326|6.998471|6.724130|4.552236|3.704265|3.755415|4.719394|2.940299|4.575079|3.748581|2.278763|2.158285|0.053824|2.407651|2.932725|2.249568|2.363674|3.091001|0.063688|0.056377|2.441723|2.308774|2.100249|3.991815|2.538089|1.789406|1.604916|1.518005|1.379145|1.901397|0.040521|1.459441|1.628456|1.270417|1.217392|1.149412|1.156437|1.262171|0.173419|0.212851|0.212080|0.500000| |8.843158|17.565002|16.518292|7.183635|6.798383|4.638216|3.798508|3.862630|4.866952|3.024594|4.797805|3.749025|2.295537|2.122369|0.052839|2.285827|2.794851|2.115602|2.148391|2.773392|0.056131|0.051289|2.190223|2.148605|2.094104|3.957416|2.569691|1.839640|1.635681|1.566143|1.412179|1.924839|0.041122|1.460472|1.633651|1.281634|1.238048|1.162138|1.157950|1.260989|0.212235|0.212397|0.173305|0.300821|0.500000| |4.655206|7.365819|12.472125|8.875967|17.767601|8.942298|5.646535|4.952287|5.634714|3.565545|5.627781|4.200030|2.511566|2.271666|0.056815|2.506134|3.095490|2.418215|2.513483|3.121124|0.063638|0.057002|2.373234|2.285751|2.139172|3.932645|2.604263|1.809916|1.600085|1.505463|1.357113|1.842874|0.038883|1.417189|1.589851|1.227892|1.174695|1.101374|1.105554|1.205857|0.114115|0.117496|0.114890|0.227420|0.221552|0.500000| |2.976140|3.894450|7.456165|5.655137|8.946879|17.726749|8.949004|5.660209|4.968880|4.141687|6.918810|4.531208|2.743589|2.383785|0.060500|2.595069|3.136762|2.636025|2.710447|3.194143|0.064508|0.058801|2.322036|2.269440|2.157261|3.819853|2.656120|1.810537|1.589972|1.483212|1.333507|1.790443|0.037337|1.383917|1.554524|1.192942|1.136455|1.060814|1.066063|1.162054|0.077742|0.076587|0.077311|0.112723|0.114114|0.217287|0.500000| |2.548327|3.121519|6.509492|4.931312|5.623354|8.900366|17.755249|8.901457|5.641512|7.188703|12.861600|6.676856|3.938722|3.146538|0.079170|3.348475|4.111842|3.479629|3.351020|3.711615|0.072195|0.068563|2.662060|2.718707|2.706321|4.610550|3.315649|2.191587|1.874431|1.715606|1.517777|2.015390|0.041700|1.573903|1.799197|1.326636|1.251791|1.155184|1.162317|1.278166|0.069109|0.064216|0.068112|0.085865|0.087955|0.124171|0.214473|0.500000| |4.144636|4.893142|13.613105|8.995483|5.671428|4.971430|5.618091|8.851687|17.743638|6.881485|8.847427|9.171666|4.594149|4.049040|0.091807|4.459512|6.905770|3.652483|3.420235|4.241799|0.080516|0.076385|3.563514|3.804882|3.942370|7.618004|4.421352|3.005678|2.482494|2.254872|1.942331|2.635433|0.056158|2.066356|2.458449|1.686251|1.582110|1.447178|1.454462|1.634937|0.118120|0.093789|0.114790|0.119121|0.123040|0.124455|0.107855|0.123693|0.500000| |2.011496|2.216640|4.685160|3.015591|2.786946|3.071181|3.918295|4.656660|3.824409|7.182130|13.439964|12.342251|17.603776|8.703941|0.222761|6.536306|6.146850|6.506848|4.437273|4.834937|0.084925|0.094591|3.531614|4.334513|5.617988|7.856074|6.825634|3.806643|3.031458|2.548438|2.169157|2.832513|0.057196|2.310836|2.791024|1.801301|1.641032|1.475165|1.500193|1.696978|0.056488|0.050394|0.056319|0.059417|0.059661|0.066976|0.076359|0.114071|0.108024|0.500000| |2.139569|2.320071|4.961954|3.116526|2.770950|2.937166|3.648530|4.577183|4.031555|6.897240|12.382528|12.362388|17.617801|8.633333|0.191949|5.691319|5.940978|4.687444|3.510877|4.155008|0.074114|0.081098|3.254996|4.111542|7.422263|9.977802|9.390021|5.235418|3.750501|3.129398|2.541484|3.256943|0.066386|2.627232|3.296922|2.018483|1.844106|1.630383|1.639056|1.870976|0.061422|0.053144|0.059646|0.060699|0.062625|0.066667|0.072042|0.101064|0.121376|0.304920|0.500000| |3.014926|3.263023|7.591424|4.562842|3.615498|3.480171|4.051606|5.588498|6.240083|6.087726|8.043734|12.297988|6.315487|6.767350|0.137305|8.815348|17.608006|5.506005|4.756690|6.077808|0.107328|0.107445|5.730316|7.107549|6.377405|13.071435|6.071126|3.768212|3.068358|2.615376|2.238628|3.096964|0.065372|2.542991|3.149633|1.946766|1.771668|1.611227|1.650093|1.897517|0.084450|0.071641|0.088607|0.085523|0.081853|0.085553|0.081490|0.099814|0.223219|0.135801|0.148966|0.500000| |2.909626|3.319329|7.622917|5.025643|4.222355|4.272022|5.163649|6.981236|6.800479|7.049008|8.892095|12.386761|5.847107|5.680929|0.126054|8.616127|17.631504|7.051902|6.757532|7.424573|0.132022|0.122636|6.110493|6.266189|4.553729|8.220089|4.775238|2.955621|2.493940|2.162460|1.896135|2.607850|0.054345|2.126153|2.529439|1.679641|1.538994|1.416300|1.454178|1.645243|0.078537|0.070163|0.084649|0.090843|0.083492|0.097370|0.098685|0.126145|0.192311|0.142141|0.129109|0.302752|0.500000| |2.050158|2.277700|4.787655|3.087602|2.905780|3.201541|3.964595|4.491796|3.776464|5.686270|9.077278|9.552055|7.144765|6.911919|0.184406|8.703507|7.006748|17.600855|9.038530|7.635582|0.127329|0.143294|4.890601|5.512423|4.475097|6.924180|5.065771|2.939996|2.513820|2.131525|1.883793|2.545762|0.051589|2.104539|2.473529|1.651598|1.497986|1.373290|1.417836|1.598328|0.056066|0.051487|0.058459|0.062918|0.060008|0.070244|0.080207|0.113758|0.103367|0.230685|0.142192|0.140478|0.188361|0.500000| |1.858214|2.005581|4.134641|2.549690|2.378405|2.523414|2.948906|3.308841|3.005290|3.940589|6.445652|6.722088|5.534988|7.061753|0.224860|8.774687|5.484508|17.512339|8.917020|9.373808|0.143844|0.203875|5.692770|6.823457|4.696031|7.187440|5.347248|3.031229|2.688812|2.224929|1.995980|2.738704|0.054889|2.326694|2.721674|1.780505|1.587093|1.458246|1.527176|1.736153|0.050961|0.046999|0.053665|0.055459|0.052526|0.059056|0.064262|0.082961|0.085384|0.163329|0.119482|0.123183|0.140754|0.304298|0.500000| |2.337734|2.621829|5.495098|3.495925|3.298995|3.479075|3.964127|4.350072|4.016334|4.429583|6.610494|6.832712|4.240872|4.434086|0.112703|6.588797|6.488819|8.726984|17.643031|12.439770|0.225787|0.181230|6.915782|5.675081|3.474977|6.033160|3.886111|2.406081|2.130106|1.852075|1.671226|2.315275|0.047589|1.901619|2.186609|1.523694|1.390704|1.296285|1.346072|1.509006|0.061958|0.058530|0.068287|0.075002|0.066891|0.080727|0.086856|0.105859|0.107551|0.117252|0.095572|0.141825|0.236298|0.214363|0.173172|0.500000| |1.923952|2.115438|4.289693|2.676445|2.591995|2.778566|3.142082|3.311336|3.010234|3.548883|5.713618|5.405154|3.786046|4.076749|0.113422|5.421007|4.575885|8.782010|17.628944|12.358388|0.221905|0.225078|5.579011|4.888570|3.162233|5.294426|3.685154|2.263413|2.046606|1.771745|1.618488|2.237634|0.045407|1.850010|2.094152|1.486335|1.349632|1.261361|1.317686|1.471643|0.051476|0.049035|0.055774|0.060310|0.055011|0.065031|0.072024|0.088304|0.081512|0.111093|0.086596|0.104820|0.140613|0.213699|0.217291|0.301863|0.500000| |2.622892|2.787397|5.897679|3.419202|2.991764|2.888406|3.124138|3.641045|3.858055|3.631134|5.362227|5.979009|3.765613|4.405786|0.107494|6.696914|6.550005|5.750802|6.947373|12.430009|0.224527|0.181070|17.624796|8.741951|3.914286|7.546253|4.182138|2.643246|2.379569|2.054334|1.861351|2.656178|0.055395|2.214870|2.570878|1.735055|1.568032|1.466943|1.538317|1.750538|0.069778|0.064634|0.080165|0.078452|0.068693|0.074906|0.071263|0.079803|0.114140|0.095108|0.089146|0.179707|0.204687|0.128855|0.132378|0.207755|0.142825|0.500000| |2.190187|2.258683|4.598847|2.615994|2.346253|2.287946|2.456711|2.782835|2.891406|2.869619|4.444497|4.681187|3.230856|3.995308|0.103976|5.447826|4.570785|4.895851|5.580748|12.367190|0.222699|0.224412|17.627985|8.770528|3.704736|7.093330|4.085007|2.590363|2.429135|2.076242|1.920951|2.798638|0.057870|2.388573|2.718654|1.844701|1.641270|1.547212|1.651713|1.892711|0.058982|0.055088|0.066700|0.063310|0.056635|0.060068|0.057861|0.064479|0.085830|0.083017|0.078415|0.127655|0.128019|0.107787|0.127909|0.142799|0.126506|0.301526|0.500000| |1.989461|2.070972|4.281888|2.504758|2.241547|2.251656|2.525618|2.932105|2.914057|3.302076|5.203858|5.809127|4.499603|6.788294|0.186047|8.805796|5.439655|6.845655|5.703018|9.416705|0.144311|0.205866|8.902737|17.493020|5.934494|10.265690|6.158085|3.536772|3.250697|2.603216|2.349727|3.374459|0.068284|3.005539|3.617234|2.156748|1.873932|1.722379|1.837347|2.150662|0.054972|0.049935|0.058870|0.056666|0.053201|0.056375|0.056715|0.067810|0.087933|0.113094|0.105956|0.144375|0.131560|0.139569|0.200815|0.131767|0.128744|0.173064|0.215376|0.500000| |2.371480|2.441282|5.183905|2.960449|2.540003|2.473847|2.753725|3.328491|3.501507|3.645402|5.504867|6.585538|4.638820|6.561233|0.151213|8.782356|6.869868|5.519914|4.862769|7.615586|0.126943|0.143547|8.992964|17.659546|6.792249|14.772250|6.392823|3.850191|3.415107|2.776019|2.453481|3.551792|0.074071|3.103513|3.868139|2.229929|1.958655|1.792900|1.891289|2.227814|0.065972|0.058392|0.071212|0.065815|0.061661|0.063407|0.061076|0.071586|0.111395|0.108673|0.112051|0.217033|0.157604|0.122900|0.139585|0.127069|0.107547|0.212814|0.213120|0.303916|0.500000| |1.792554|1.871933|3.860163|2.300840|2.072015|2.136001|2.480318|2.907673|2.759046|3.654974|6.444738|6.189018|6.497214|7.632590|0.227261|4.734896|4.084463|3.938474|3.020596|3.870363|0.068723|0.079657|3.070903|4.046341|9.431271|10.910509|26.035188|9.096853|6.248894|4.417958|3.466132|4.345729|0.085015|3.699987|4.944929|2.593793|2.274409|1.960258|1.992885|2.336539|0.051507|0.045197|0.050771|0.049451|0.050164|0.051681|0.053957|0.068682|0.083911|0.156262|0.206608|0.110516|0.092810|0.107594|0.113072|0.078120|0.076057|0.079546|0.077569|0.116260|0.112989|0.500000| |1.808191|1.850970|3.775510|2.194253|1.959145|1.977423|2.239116|2.611853|2.576484|3.111707|5.513181|4.886835|4.347973|4.457836|0.118345|3.358467|3.246641|2.813725|2.332663|3.054574|0.055983|0.061888|2.469683|3.058684|5.987351|9.225594|12.570789|17.570971|8.886343|7.172749|4.638135|5.273918|0.105375|4.078187|5.489775|2.996757|2.704162|2.239740|2.193863|2.574384|0.053087|0.045686|0.050758|0.048083|0.050081|0.049384|0.050034|0.061050|0.079665|0.104839|0.147764|0.093788|0.076328|0.077593|0.077871|0.062572|0.059207|0.066250|0.064079|0.084822|0.090469|0.232612|0.500000| |2.063968|2.082589|4.311178|2.450780|2.127174|2.096351|2.350946|2.814213|2.897702|3.264172|5.471910|5.319584|4.398328|4.818435|0.118880|3.788706|3.752743|2.982763|2.505280|3.358840|0.061388|0.067139|2.839924|3.590169|7.557437|13.997995|12.568178|17.624402|8.834296|6.812887|4.546581|5.741691|0.122088|4.572590|6.904353|3.158436|2.815797|2.353753|2.329522|2.801894|0.061028|0.051497|0.058675|0.053662|0.055484|0.053501|0.052376|0.062522|0.093315|0.100723|0.140707|0.115664|0.086460|0.079908|0.080614|0.067873|0.062197|0.076865|0.073928|0.096761|0.112898|0.183741|0.302996|0.500000| |1.569582|1.587220|3.176963|1.823115|1.650637|1.660312|1.844509|2.096634|2.080852|2.416601|4.225274|3.813237|3.319756|3.816210|0.110365|3.029441|2.726673|2.613766|2.207752|3.006244|0.055139|0.062821|2.420735|2.988038|4.919995|7.845277|9.578017|8.903261|17.495154|8.897575|6.822429|7.718445|0.135605|6.819942|8.894549|4.142946|3.382865|2.727217|2.766278|3.397098|0.045455|0.040099|0.044700|0.041911|0.042556|0.042217|0.042571|0.050527|0.063388|0.084020|0.100173|0.078138|0.065706|0.069542|0.075671|0.057755|0.056727|0.062865|0.064882|0.088322|0.087926|0.181266|0.211870|0.174206|0.500000| |1.568185|1.569788|3.109499|1.765203|1.598022|1.593925|1.749589|1.976255|1.987550|2.228551|3.944073|3.363925|2.792472|2.931182|0.080444|2.433907|2.348674|2.120696|1.842440|2.480807|0.046397|0.050808|1.994312|2.359576|3.647348|6.239194|6.339579|6.867822|8.771296|17.565242|9.002895|7.588811|0.144969|4.905588|5.526280|4.127592|3.827428|2.924094|2.736555|3.206642|0.046153|0.040232|0.044107|0.040953|0.042598|0.041134|0.040963|0.047682|0.060587|0.070757|0.087389|0.068456|0.057633|0.057810|0.059499|0.049506|0.047571|0.053492|0.053446|0.066690|0.070178|0.121116|0.213840|0.165550|0.215038|0.500000| |1.737770|1.713160|3.406937|1.898779|1.690975|1.658260|1.804923|2.064916|2.132887|2.286502|3.939965|3.490641|2.795642|2.994088|0.079461|2.554355|2.507091|2.164796|1.902582|2.601076|0.048733|0.052796|2.145712|2.540882|3.890726|7.194892|6.291225|7.023439|8.807788|17.503824|8.874917|9.293355|0.207851|5.700058|6.813431|4.577127|4.230419|3.211777|3.000325|3.648401|0.051568|0.044314|0.049247|0.044390|0.046093|0.043572|0.042305|0.048433|0.066331|0.069114|0.086029|0.075456|0.061323|0.058205|0.059847|0.051542|0.048534|0.058017|0.057922|0.070719|0.078094|0.111389|0.181831|0.206663|0.173802|0.304044|0.500000| 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|1.431909|1.407862|2.738763|1.527231|1.389877|1.370696|1.474440|1.641842|1.677318|1.793022|3.132465|2.681146|2.143167|2.296000|0.063284|2.016486|1.941582|1.782298|1.597257|2.203034|0.041762|0.045359|1.775693|2.039491|2.765182|4.973080|4.367226|4.085347|5.479400|8.822054|17.673877|12.343788|0.223421|5.621821|4.902410|7.143623|7.380819|4.611560|3.964976|4.636480|0.042038|0.037106|0.040578|0.036937|0.038046|0.036265|0.035489|0.039991|0.050856|0.055010|0.064199|0.057036|0.048729|0.047944|0.050182|0.042979|0.041501|0.047614|0.048766|0.058100|0.061073|0.082874|0.111365|0.109001|0.139912|0.214920|0.215654|0.301805|0.500000| |1.448124|1.438410|2.829675|1.592009|1.447816|1.436899|1.559863|1.746273|1.768161|1.932940|3.322073|3.007149|2.461528|2.873852|0.082540|2.519958|2.264054|2.216831|1.964667|2.792833|0.052096|0.059117|2.267893|2.683335|3.490851|6.164412|5.470093|4.465180|6.740354|5.774048|7.059278|12.441260|0.182115|17.601651|8.762493|7.012362|4.568254|3.703847|4.122672|5.747785|0.041683|0.037323|0.041743|0.038299|0.038272|0.037559|0.037117|0.042434|0.053607|0.063271|0.070559|0.065753|0.056256|0.057640|0.064503|0.051356|0.050846|0.058430|0.063434|0.080984|0.080060|0.102215|0.107370|0.111268|0.199872|0.129374|0.132565|0.214158|0.144512|0.500000| |1.554836|1.523803|2.994587|1.658839|1.494360|1.463169|1.573526|1.771030|1.829262|1.924884|3.249461|3.004675|2.379037|2.797327|0.077740|2.553537|2.327410|2.203557|1.991878|2.893461|0.054305|0.060690|2.417163|2.825654|3.441217|6.515488|4.997643|4.054115|5.484949|4.910524|5.624802|12.361348|0.224205|17.675702|8.825545|7.074272|4.649301|3.974775|4.636702|7.365264|0.044804|0.039989|0.045279|0.040522|0.040201|0.038894|0.037653|0.042323|0.056024|0.060307|0.067314|0.069228|0.058120|0.056607|0.063034|0.052530|0.051028|0.062633|0.068943|0.084003|0.087274|0.090088|0.095144|0.109886|0.139853|0.108034|0.127994|0.144616|0.126656|0.301684|0.500000| 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