Version2.0 2020-02-02T06:21:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1F)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c[nH]c5c4cc(cc5)OC C39599125 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1F)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c[nH]c5c4cc(cc5)OC C01[X(C28H34F1N4O3)] 204 C1 608 COc1ccc2c(c1)c(CCNC(=O)[C@@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(c(c1)F)C)c[nH]2 COc1ccc2c(c1)c(CCNC(=O)[C@@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(c(c1)F)C)c[nH]2 COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(C)c(F)c5)c2c1 InChIKey=GDLIPMWKMOTUNB-QHCPKHFHSA-O InChI=1S/C28H33FN4O3/c1-18-3-4-19(13-24(18)29)27(35)33-16-23(28(17-33)8-11-30-12-9-28)26(34)31-10-7-20-15-32-25-6-5-21(36-2)14-22(20)25/h3-6,13-15,23,30,32H,7-12,16-17H2,1-2H3,(H,31,34)/p+1/t23-/m0/s1 InChI=1/C28H33FN4O3/c1-18-3-4-19(13-24(18)29)27(35)33-16-23(28(17-33)8-11-30-12-9-28)26(34)31-10-7-20-15-32-25-6-5-21(36-2)14-22(20)25/h3-6,13-15,23,30,32H,7-12,16-17H2,1-2H3,(H,31,34)/p+1/t23-/m0/s1/fC28H34FN4O3/h30-31H/q+1 Cc1ccc(cc1F)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c[nH]c5c4cc(cc5)OC C01[X(C28H34F1N4O3)] 204 C01 608 COc1ccc2c(c1)c(CCNC(=O)[C@@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(c(c1)F)C)c[nH]2 COc1ccc2c(c1)c(CCNC(=O)[C@@H]1CN(CC31CC[NH2]CC3)C(=O)c1ccc(c(c1)F)C)c[nH]2 COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CN(CC34CC[NH2]CC4)C(=O)c5ccc(C)c(F)c5)c2c1 InChIKey=MUEVDLCBUGLELX-QHCPKHFHSA-N InChI=1S/C28H34FN4O3/c1-18-3-4-19(13-24(18)29)27(35)33-16-23(28(17-33)8-11-30-12-9-28)26(34)31-10-7-20-15-32-25-6-5-21(36-2)14-22(20)25/h3-6,13-15,23,32H,7-12,16-17,30H2,1-2H3,(H,31,34)/t23-/m0/s1 InChI=1/C28H34FN4O3/c1-18-3-4-19(13-24(18)29)27(35)33-16-23(28(17-33)8-11-30-12-9-28)26(34)31-10-7-20-15-32-25-6-5-21(36-2)14-22(20)25/h3-6,13-15,23,32H,7-12,16-17,30H2,1-2H3,(H,31,34)/t23-/m0/s1/f/h31H 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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 10213.2181 46346.9297 54360.1749 0.99999 0.00111 -0.00499 -0.00113 0.99999 -0.00463 0.00499 0.00463 0.99998 1 0.00848 0.00187 0.00159 0.17671 0.03894 0.03320 5.41 10.71 29.26 33.09 48.71 63.08 70.91 76.98 90.27 105.56 133.83 149.75 170.10 179.13 201.85 217.28 223.15 240.54 255.35 269.83 293.37 331.61 348.27 376.81 400.29 405.26 411.80 424.79 434.31 441.12 479.95 486.93 495.87 533.98 552.94 565.49 587.73 608.54 614.85 662.88 679.44 690.42 697.03 709.83 715.03 720.98 736.78 762.72 825.07 847.19 860.12 892.00 937.90 952.02 965.38 989.10 1033.00 1037.67 1097.54 1115.79 1121.19 1169.94 1184.28 1188.23 1192.73 1210.75 1218.86 1226.38 1241.82 1259.26 1279.41 1287.06 1309.87 1343.57 1364.27 1366.85 1390.28 1400.69 1402.50 1412.81 1443.60 1463.40 1468.20 1505.98 1521.46 1524.27 1544.45 1558.68 1574.97 1579.38 1594.06 1616.10 1628.61 1637.23 1648.04 1668.45 1673.76 1686.42 1691.35 1722.18 1729.64 1740.23 1762.24 1771.06 1788.49 1797.43 1849.20 1859.77 1869.27 1875.29 1889.29 1899.70 1903.32 1908.03 1918.74 1930.81 1938.67 1949.97 1971.83 1987.79 1998.18 2017.37 2019.17 2039.48 2058.66 2063.69 2070.97 2082.47 2084.75 2094.80 2114.50 2147.36 2161.90 2173.93 2204.63 2220.41 2224.24 2234.99 2246.29 2252.08 2255.32 2256.41 2270.62 2277.10 2280.88 2335.63 2340.57 2346.68 2351.72 2352.41 2357.49 2361.49 2368.17 2376.12 2378.69 2387.48 2394.83 2396.78 2399.36 2402.39 2427.36 2462.55 2513.54 2554.05 2576.87 2622.42 2629.29 2642.98 2729.84 2770.71 4585.86 4600.05 4612.69 4615.20 4633.06 4633.87 4660.42 4672.52 4701.02 4705.55 4712.32 4720.36 4721.29 4731.67 4752.21 4768.55 4771.04 4774.89 4779.28 4799.22 4805.29 4826.77 4847.96 4848.77 4860.28 4860.50 4905.84 4906.60 4909.25 4937.21 5279.45 5371.05 5583.87 5643.11 0.639419 0.670758 0.671702 0.570673 -1621.118614 -1621.087275 -1621.086331 -1621.187360 3.388529D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE Cc1ccc(cc1F)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c[nH]c5c4cc(cc5)OC C39599125 RHF 6-31G(d) (6D,10F) C1 493.261494 |X|Y|Z| 71.576472 155.715284 28.226002 68.011700 30 6 7 26 4 |36.858105| |12.640174|36.858105| |7.488218|13.721228|36.858105| |4.990051|7.871993|13.753870|36.858105| |4.415672|6.785356|7.929139|13.733532|36.858105| |5.017094|7.843396|6.886130|7.939071|13.686684|36.858105| |7.585448|13.740235|8.064102|6.961994|8.001079|13.873406|36.858105| |6.842653|8.163710|5.325569|4.684675|5.309456|8.207574|14.320410|97.533100| |3.280722|4.430378|5.071293|7.694998|12.754136|7.544932|5.055604|8.846222|36.858105| |2.938596|3.809900|4.536216|6.715026|8.091419|5.350991|4.061040|7.337384|15.792038|73.516695| |2.890619|3.722210|3.948388|5.204974|7.762718|6.478462|4.435130|8.364741|13.878565|15.059482|53.358707| |2.883442|3.634029|3.697527|4.535611|6.275726|6.064449|4.395261|8.617991|7.590635|9.618852|17.734666|36.858105| |2.374256|2.859815|2.967969|3.549416|4.370641|4.075081|3.255376|6.590890|5.412263|8.048445|10.760427|12.176635|36.858105| |2.363247|2.819041|2.958266|3.491029|4.090599|3.764703|3.119785|6.293700|4.783231|7.327235|8.268655|8.707082|17.569719|0.500000| |2.201680|2.648257|2.832677|3.478185|4.188463|3.675785|2.940337|5.878633|5.776930|9.534505|11.017697|7.691772|12.177905|0.242292|36.858105| |2.378081|2.918857|3.104063|3.905756|5.031055|4.380069|3.332713|6.589342|7.848799|12.507843|17.936203|8.132181|7.952979|0.161595|12.365979|36.858105| |2.221178|2.672104|2.975853|3.720480|4.182242|3.460292|2.844273|5.565450|5.658387|10.283273|8.625030|5.835275|7.557685|0.210464|12.330214|7.462381|36.858105| |2.021585|2.394700|2.693006|3.328708|3.590274|2.971726|2.500204|4.926017|4.782194|9.853536|6.668817|4.194663|4.876461|0.131707|7.439603|6.073249|12.525357|36.858105| |1.765648|2.047130|2.240712|2.667008|2.891921|2.515875|2.153269|4.355428|3.674175|7.194530|5.401482|3.567212|4.334022|0.115279|6.456133|5.156224|7.702521|12.619353|53.358707| |1.671036|1.921376|2.106358|2.483141|2.648378|2.312537|2.003597|4.067566|3.300175|6.610159|4.696628|3.067508|3.554779|0.094806|4.925929|4.342516|5.684230|9.159420|25.689213|0.500000| |1.692910|1.944796|2.119942|2.485655|2.662849|2.344720|2.034129|4.140736|3.270696|6.230404|4.811429|3.339538|4.171790|0.115932|5.733731|4.360527|7.013209|9.198612|25.683835|0.328526|0.500000| |1.746549|2.024258|2.165668|2.557892|2.871591|2.574297|2.178863|4.470145|3.672922|6.874468|5.797295|3.847639|4.804746|0.118987|7.500191|6.090843|6.527976|7.550518|17.194690|0.254650|0.255841|36.858105| |1.872969|2.186729|2.308836|2.728341|3.152783|2.874910|2.397845|4.934854|4.030923|7.021951|6.939334|4.989179|7.263596|0.167563|12.382570|7.436908|7.646429|6.461272|10.410202|0.157249|0.193897|12.496007|36.858105| |2.120284|2.475413|2.490181|2.850039|3.430417|3.412834|2.836536|6.019318|3.987884|6.134854|7.429384|7.527299|12.484157|0.246101|7.412907|5.849410|4.990620|3.762034|5.003370|0.086255|0.100268|4.343867|6.609365|36.858105| |2.035913|2.363860|2.353302|2.678368|3.250114|3.299329|2.738187|5.904897|3.798605|5.907069|7.112018|6.374757|8.024665|0.163323|6.395430|5.922190|4.279986|3.469875|4.742728|0.083572|0.092734|4.332009|6.274402|15.800974|73.516695| |1.980834|2.261925|2.263980|2.524919|2.925239|2.933810|2.541111|5.475136|3.243550|5.104285|5.553269|5.417505|7.813054|0.211981|5.300610|4.210891|4.168051|3.238596|4.380669|0.076682|0.091257|3.640620|5.126390|14.217759|15.112079|53.358707| |1.781684|1.991382|1.967214|2.147673|2.450072|2.506540|2.227799|4.921438|2.657516|4.255942|4.395729|3.999737|4.985522|0.133757|3.917317|3.355510|3.205324|2.657128|3.694396|0.066471|0.077108|3.092717|4.054756|7.764907|12.130890|17.755527|36.858105| |1.644930|1.810592|1.796554|1.935931|2.149562|2.179677|1.982996|4.384600|2.292593|3.734875|3.642327|3.221596|3.919852|0.112868|3.229338|2.751851|2.829013|2.391440|3.340110|0.060775|0.071303|2.694386|3.363996|5.120201|7.950845|10.570000|12.452459|36.858105| |1.483265|1.611315|1.589916|1.695250|1.866717|1.906167|1.757004|3.932569|1.975398|3.253331|3.087180|2.636337|3.062654|0.086098|2.651500|2.343267|2.349003|2.054855|2.904050|0.053840|0.061686|2.347587|2.810656|3.857833|6.488950|6.840191|7.566038|12.696171|36.858105| |1.436746|1.542222|1.508035|1.587288|1.735919|1.792422|1.677289|3.800626|1.805589|2.971072|2.781477|2.360400|2.635224|0.074148|2.289354|2.074063|2.057768|1.817055|2.537832|0.047534|0.053545|2.026711|2.373584|3.203356|5.468224|5.402288|5.428756|7.446959|14.087805|36.858105| |1.311748|1.400190|1.370682|1.439232|1.565946|1.613512|1.515917|3.442660|1.631236|2.710091|2.491513|2.066033|2.283105|0.063585|2.042456|1.874685|1.845816|1.661461|2.343257|0.044338|0.049352|1.874290|2.147270|2.726747|4.781821|4.381558|4.195974|5.157858|8.519037|13.950993|53.358707| |1.260767|1.336273|1.303690|1.360046|1.472568|1.522702|1.442139|3.292760|1.522566|2.533924|2.305442|1.898569|2.064396|0.057506|1.857282|1.723477|1.691977|1.532873|2.151975|0.040952|0.045188|1.710170|1.936482|2.420771|4.263832|3.809465|3.508687|4.143603|5.979671|9.064766|26.125706|0.500000| |1.273464|1.367015|1.348181|1.426921|1.554943|1.587271|1.478732|3.332275|1.641511|2.747811|2.517161|2.062497|2.318652|0.064072|2.117082|1.930489|1.903195|1.728315|2.479560|0.046971|0.052408|2.004321|2.286218|2.788354|4.951627|4.430190|4.249093|5.088239|8.332545|8.551068|18.849506|0.250027|36.858105| |1.361826|1.476975|1.465002|1.566111|1.718163|1.741559|1.603373|3.580519|1.835855|3.065219|2.853477|2.364061|2.743728|0.075896|2.484694|2.213341|2.204621|1.976651|2.856997|0.053476|0.060778|2.333995|2.728464|3.398951|5.949657|5.607409|5.695095|7.237543|13.166640|8.513567|11.577149|0.165363|13.608216|36.858105| |1.324776|1.444129|1.445262|1.558205|1.708987|1.711139|1.563202|3.460032|1.854599|3.131923|2.886386|2.344243|2.770045|0.075900|2.601238|2.295935|2.301748|2.095162|3.107531|0.058264|0.066514|2.575500|2.978328|3.401485|6.042834|5.394626|5.090681|5.760765|7.294450|5.267351|7.292601|0.118564|7.888270|13.659261|36.858105| |1.216435|1.318086|1.319626|1.416877|1.543608|1.544463|1.419588|3.150198|1.670706|2.848755|2.566561|2.040335|2.355396|0.064213|2.269060|2.045852|2.034642|1.895974|2.831877|0.053984|0.060339|2.335979|2.600374|2.798479|5.072108|4.237732|3.773364|4.081279|5.009091|4.173268|6.303483|0.108951|6.904784|7.962761|13.818692|36.858105| |1.152739|1.238673|1.232748|1.311697|1.422439|1.434372|1.331499|2.978696|1.520561|2.588879|2.314075|1.837541|2.070261|0.056581|1.978821|1.816371|1.790495|1.673265|2.462046|0.047292|0.052101|2.004581|2.208541|2.427799|4.411431|3.657066|3.249954|3.547567|4.545717|4.184280|6.992935|0.125550|8.015527|6.869858|7.885000|13.572763|36.858105| |1.175474|1.257637|1.243466|1.314851|1.425882|1.450127|1.354222|3.050224|1.508296|2.548078|2.293755|1.843819|2.055364|0.056472|1.923251|1.772313|1.741433|1.609470|2.329765|0.044593|0.049161|1.882475|2.097872|2.421191|4.364986|3.710353|3.377963|3.803925|5.272600|5.305558|10.315577|0.183852|13.739971|7.840545|6.778369|7.872520|13.809744|36.858105| |1.182828|1.284934|1.295240|1.397724|1.518784|1.505455|1.378740|3.040231|1.659547|2.861198|2.538659|1.981478|2.295855|0.062285|2.280910|2.056368|2.057097|1.953924|2.980919|0.057309|0.063698|2.473205|2.680346|2.671462|4.874878|3.919447|3.311123|3.441491|3.868428|3.268358|4.746914|0.085166|4.630057|5.288570|8.217485|14.040873|7.831555|5.176858|73.516695| |1.092761|1.180234|1.189316|1.277166|1.378806|1.367369|1.260460|2.786389|1.498588|2.600627|2.264473|1.744783|1.980897|0.053729|1.987976|1.825272|1.816697|1.753128|2.667122|0.052065|0.056647|2.186136|2.303810|2.252814|4.133299|3.243690|2.679270|2.763592|3.087733|2.744913|4.068770|0.075632|3.812116|3.988917|5.269728|7.987395|6.730734|4.525789|24.213319|36.858105| |17.570230|8.873147|5.862353|4.295303|3.970517|4.611701|6.750122|15.438700|3.043546|4.894290|3.691455|2.669945|2.209442|0.060341|2.068407|2.262417|2.060807|1.897706|2.279914|0.044270|0.044462|1.670222|1.780185|2.003446|3.469793|2.539485|1.696767|1.561861|1.420678|1.380449|1.725563|0.033936|1.232011|1.311514|1.277153|1.178352|1.120178|1.141815|2.038996|1.063496|0.500000| |17.568423|8.865860|5.844377|4.282019|3.967094|4.611467|6.749716|15.436572|3.033586|4.785199|3.759032|2.850560|2.363518|0.065903|2.148750|2.283709|2.153380|1.938311|2.323799|0.044703|0.045798|1.696032|1.836927|2.136158|3.625425|2.752175|1.827751|1.696675|1.529994|1.491379|1.846105|0.036282|1.307548|1.394783|1.346670|1.233175|1.172238|1.202009|2.119787|1.099849|0.302855|0.500000| |17.601663|8.883328|7.190758|4.725628|3.949811|4.167205|5.594902|11.137836|3.031152|4.968420|3.600804|2.616241|2.208181|0.061664|2.076317|2.217032|2.133782|1.965512|2.332557|0.045291|0.045783|1.675572|1.778835|1.965489|3.342381|2.515977|1.664628|1.551855|1.402496|1.358033|1.693010|0.033243|1.210167|1.292700|1.261490|1.161905|1.101333|1.120638|2.014675|1.049798|0.301182|0.301097|0.500000| |6.931793|8.948542|17.723292|8.943567|5.648982|4.959305|5.701737|9.623395|4.136801|6.966124|4.509915|3.126171|2.621392|0.073571|2.535819|2.720848|2.716150|2.511009|2.861427|0.055405|0.055624|2.005877|2.109840|2.225678|3.736858|2.795306|1.800949|1.667125|1.484529|1.412689|1.755335|0.034169|1.268870|1.373335|1.356634|1.244441|1.165512|1.174755|2.176085|1.128656|0.151479|0.150853|0.219885|0.500000| |4.070389|5.620850|8.910347|17.754198|8.938682|5.651777|5.001291|8.340545|7.176216|13.154120|6.580528|4.120517|3.426777|0.094868|3.508378|3.855740|3.962864|3.667219|3.887006|0.074377|0.073671|2.657457|2.769535|2.728038|4.539783|3.305500|2.063712|1.876622|1.644671|1.532896|1.898696|0.036581|1.391062|1.529710|1.533759|1.398798|1.290725|1.286903|2.469073|1.271252|0.099474|0.099009|0.112394|0.215520|0.500000| |4.119941|5.631576|4.963032|5.625212|8.808445|17.754497|9.017018|16.914097|6.856408|8.702288|9.555539|6.813662|4.378097|0.107802|3.858409|4.741481|3.428095|2.925888|3.452219|0.064472|0.065505|2.672648|3.039101|3.799686|6.721002|4.338406|2.736138|2.323915|2.033487|1.908295|2.334426|0.044848|1.687864|1.855637|1.819468|1.637220|1.519168|1.537753|2.827413|1.439660|0.109484|0.109285|0.096336|0.107704|0.123708|0.500000| |3.256366|4.194407|4.276889|5.214616|7.079886|6.820156|5.035739|9.534247|7.242827|9.169916|12.317148|17.661421|8.646984|0.226752|5.923016|5.903544|5.302115|3.859351|4.384149|0.077966|0.085326|3.316588|4.108006|5.839539|8.656823|6.539035|3.629947|3.060767|2.507969|2.279721|2.705520|0.051060|1.960566|2.225374|2.180722|1.904297|1.731050|1.750096|3.272604|1.630172|0.081561|0.090329|0.081711|0.098884|0.127688|0.192858|0.500000| |2.838862|3.502399|3.397281|3.961033|5.390740|5.930313|4.402247|9.145024|5.939892|7.899249|12.364212|17.628458|8.719815|0.181683|5.937461|6.626756|4.490669|3.480727|4.227413|0.075652|0.081211|3.445886|4.407728|7.648890|12.785751|7.480206|4.260903|3.315988|2.747452|2.482367|2.951398|0.055407|2.149229|2.448841|2.397356|2.085259|1.891632|1.913000|3.563998|1.765503|0.074242|0.078871|0.070504|0.079984|0.098213|0.207999|0.301980|0.500000| |2.242838|2.702067|2.787234|3.369145|4.295691|4.038079|3.134291|6.414292|5.920919|9.386762|12.534230|7.089011|6.981723|0.140565|8.856305|17.591862|5.485969|4.732948|6.054209|0.107096|0.107008|5.681601|7.067747|6.209491|12.851503|5.893674|3.568268|2.840367|2.448487|2.163151|2.673285|0.050056|2.032330|2.330859|2.424216|2.162763|1.918034|1.868229|3.858945|1.922399|0.060048|0.060257|0.057706|0.068150|0.090602|0.127465|0.142248|0.187758|0.500000| |2.303405|2.813989|3.054888|3.879046|4.789756|4.024322|3.132746|6.153207|7.600294|14.707664|12.490161|5.805747|5.636469|0.127612|8.543183|17.706440|6.862034|6.752728|7.573326|0.135404|0.123971|6.284030|6.337908|4.439158|8.068780|4.681261|2.849352|2.409058|2.092741|1.868767|2.327529|0.043935|1.766898|2.004148|2.094428|1.897146|1.692174|1.641683|3.429208|1.733998|0.061251|0.060651|0.060297|0.075329|0.110011|0.116821|0.130984|0.137426|0.301045|0.500000| |2.506170|3.087065|3.542069|4.624709|5.145695|4.004873|3.249551|6.171629|7.065624|12.661084|9.622643|6.332669|6.946008|0.201171|8.710908|6.893036|17.627200|9.045603|7.646680|0.127382|0.143860|4.880415|5.518307|4.507588|6.897350|5.200552|2.966837|2.638755|2.202545|1.961090|2.389730|0.045006|1.787773|2.045361|2.100061|1.864690|1.663436|1.633784|3.321101|1.663333|0.063729|0.067002|0.066965|0.088879|0.139756|0.106225|0.172680|0.129903|0.139474|0.178829|0.500000| |2.091830|2.468581|2.722436|3.284184|3.580759|3.065588|2.598750|5.162708|4.444828|7.884332|6.700420|5.040145|6.960509|0.225791|8.808679|5.472116|17.501670|8.903414|9.442581|0.144361|0.205762|5.752559|6.927333|4.899953|7.182452|5.987835|3.349831|3.048195|2.491444|2.163339|2.624350|0.048894|1.989852|2.325045|2.429247|2.127262|1.861459|1.810919|3.813709|1.880678|0.053721|0.057005|0.056135|0.070058|0.096568|0.084300|0.133124|0.111795|0.123378|0.138486|0.304135|0.500000| |2.091734|2.498896|2.827637|3.556126|3.869039|3.146226|2.616593|5.117740|5.385115|12.192862|7.164441|4.153433|4.469597|0.115792|6.663433|6.651063|8.773388|17.659145|12.339537|0.223969|0.180654|6.826127|5.651372|3.510884|5.964730|4.042745|2.478796|2.208447|1.922432|1.716267|2.147960|0.040633|1.637410|1.854819|1.958060|1.787532|1.590285|1.532090|3.273866|1.666677|0.054928|0.055078|0.056383|0.072813|0.109717|0.085891|0.105019|0.096941|0.141168|0.238959|0.214902|0.173363|0.500000| |1.973127|2.313545|2.637131|3.216950|3.314196|2.738412|2.360747|4.646287|4.169437|8.654615|5.522328|3.595138|4.062164|0.115132|5.435626|4.610139|8.773760|17.626221|12.365187|0.221693|0.226169|5.565499|4.882805|3.218059|5.244913|3.918953|2.400338|2.214808|1.916630|1.708680|2.132778|0.040334|1.624187|1.843485|1.945823|1.771985|1.574338|1.517303|3.246010|1.650657|0.051225|0.052506|0.053948|0.069669|0.100990|0.073559|0.095841|0.084041|0.104362|0.139811|0.213701|0.215814|0.301535|0.500000| |1.784468|2.077271|2.222137|2.640779|2.992844|2.676001|2.246868|4.600628|3.903546|7.482906|6.099953|3.811297|4.419151|0.106733|6.732896|6.702253|5.730472|6.880754|12.428673|0.225344|0.181336|17.634174|8.748813|3.991249|7.382614|4.470115|2.835298|2.449410|2.164728|1.896090|2.400607|0.045001|1.875156|2.151789|2.348529|2.156571|1.877515|1.770841|4.043564|2.040399|0.047722|0.047770|0.047441|0.056934|0.076106|0.077553|0.090457|0.096035|0.177650|0.214190|0.127825|0.132916|0.203479|0.141964|0.500000| |1.591556|1.818509|1.929150|2.233895|2.473204|2.259672|1.948058|4.049172|3.044422|5.651006|4.720987|3.238305|3.983904|0.101276|5.461868|4.622757|4.909451|5.562753|12.366484|0.222498|0.225599|17.625766|8.767461|3.844326|6.929327|4.583279|2.978644|2.643049|2.348493|2.020200|2.573617|0.047868|2.050995|2.389505|2.700358|2.485590|2.109245|1.949304|4.796085|2.389498|0.042459|0.043110|0.042530|0.050045|0.064219|0.065274|0.078978|0.082903|0.126544|0.130971|0.107804|0.129466|0.141305|0.126502|0.301446|0.500000| |1.784068|2.058722|2.169030|2.521431|2.848810|2.621881|2.233501|4.629099|3.487434|6.045570|5.776819|4.438113|6.691269|0.173037|8.770217|5.448323|6.873646|5.680897|9.357044|0.143622|0.203883|8.886156|17.503607|6.460858|10.065822|7.649938|4.407209|3.781527|3.090749|2.555649|3.124222|0.057016|2.462464|2.999325|3.317779|2.839178|2.370511|2.242525|5.202340|2.468638|0.046910|0.048999|0.047288|0.055577|0.071230|0.076220|0.106282|0.109888|0.144101|0.132162|0.140249|0.204806|0.131232|0.128502|0.173017|0.215382|0.500000| |1.821955|2.112915|2.190214|2.550017|2.981081|2.808430|2.348421|4.917414|3.723755|6.345396|6.547989|4.794938|6.562231|0.145277|8.772250|6.900211|5.526040|4.851014|7.607411|0.126983|0.143174|8.996362|17.629198|7.177318|14.096345|7.280617|4.440127|3.518434|2.986374|2.506835|3.102268|0.056857|2.447950|2.935760|3.231803|2.816218|2.376469|2.247793|5.153076|2.471235|0.048505|0.049801|0.047754|0.055402|0.070670|0.084488|0.107517|0.125705|0.215994|0.160069|0.122831|0.141007|0.126607|0.107415|0.213611|0.212688|0.303982|0.500000| |2.029488|2.313305|2.330729|2.588750|2.947656|2.923936|2.563022|5.476831|3.212210|5.064503|5.325162|5.246480|7.454302|0.242563|5.004731|3.902856|4.257553|3.245582|4.294700|0.075149|0.090958|3.409414|4.637922|9.435470|10.885262|26.072529|8.998427|7.458876|4.722209|3.828034|4.187354|0.074971|3.056663|3.799793|3.611230|2.873926|2.510219|2.563874|4.736445|2.229149|0.052576|0.057857|0.052870|0.059020|0.069433|0.086185|0.138312|0.140569|0.106754|0.090143|0.110575|0.130202|0.081453|0.081765|0.084920|0.087288|0.144920|0.126318|0.500000| |1.835271|2.040400|1.982756|2.140463|2.456440|2.578787|2.310117|5.198409|2.610133|4.131680|4.301978|3.942431|4.518171|0.118966|3.531369|3.186565|2.904978|2.432029|3.327648|0.060585|0.068480|2.768771|3.525027|6.720729|11.433211|12.362716|17.576758|8.822852|6.780220|5.548452|5.799074|0.100837|4.101787|5.077370|4.353791|3.398852|3.056790|3.264398|5.274049|2.466306|0.048769|0.052631|0.047263|0.050202|0.056428|0.079318|0.100209|0.122524|0.095369|0.075358|0.076479|0.082540|0.064134|0.061267|0.072290|0.073671|0.102067|0.107818|0.194547|0.500000| |1.680397|1.877548|1.863544|2.044388|2.332783|2.369245|2.096529|4.625001|2.572792|4.179789|4.265335|3.708056|4.628505|0.119468|3.916513|3.389326|3.143168|2.673361|3.825593|0.069089|0.079510|3.309353|4.329542|7.170925|12.910417|12.532843|17.637853|8.806604|6.977937|4.959936|5.626184|0.095638|4.474007|6.203958|6.056808|4.384094|3.627994|3.644102|6.870173|3.044439|0.044755|0.047503|0.043725|0.047503|0.054923|0.072072|0.091379|0.109411|0.102761|0.080650|0.079309|0.090101|0.069615|0.066504|0.084144|0.090395|0.130052|0.138727|0.182685|0.303748|0.500000| |1.599734|1.765655|1.774920|1.925989|2.120532|2.110126|1.913734|4.179191|2.288959|3.777179|3.611164|3.140407|3.958631|0.117008|3.363317|2.776455|3.007216|2.546749|3.610184|0.065299|0.078636|2.883695|3.600536|4.939530|7.502000|9.881238|8.876644|17.507952|8.949292|5.749618|6.029169|0.101054|4.630073|6.661420|6.019571|4.217484|3.529078|3.630569|6.504254|2.893996|0.042074|0.045583|0.042209|0.045988|0.052450|0.061794|0.082971|0.087034|0.078387|0.068030|0.076615|0.092393|0.064273|0.065814|0.071316|0.079299|0.117444|0.102054|0.206299|0.173789|0.208526|0.500000| |1.715360|1.879033|1.855086|1.980593|2.185053|2.230068|2.051425|4.551048|2.286539|3.698230|3.587799|3.225303|3.806870|0.113159|3.061707|2.632582|2.747385|2.303505|3.145836|0.057401|0.067040|2.481437|3.059989|4.702841|7.131962|9.485924|8.854864|17.515630|8.949781|7.036011|6.450269|0.110279|4.341554|5.473895|4.415211|3.370244|3.049655|3.325894|5.155934|2.407324|0.044996|0.049576|0.044928|0.047866|0.053066|0.065569|0.087713|0.092039|0.074367|0.064134|0.072720|0.082522|0.059181|0.059868|0.063173|0.066790|0.094218|0.086994|0.210854|0.214486|0.173429|0.303143|0.500000| |1.484859|1.584877|1.539462|1.607445|1.752908|1.824466|1.722991|3.930426|1.799231|2.943894|2.753990|2.356508|2.578463|0.073157|2.210320|2.017740|2.003218|1.760292|2.424443|0.045446|0.050987|1.916686|2.239907|3.076018|5.193544|5.157274|4.920908|6.436116|8.693977|17.777094|12.240300|0.213207|5.886112|5.787184|4.094229|3.380410|3.405229|4.180773|4.914547|2.377809|0.039562|0.043120|0.038920|0.040066|0.042906|0.053831|0.064139|0.069121|0.058093|0.050480|0.053687|0.058393|0.046315|0.046171|0.050088|0.052562|0.066431|0.065109|0.104115|0.146741|0.119600|0.138999|0.195527|0.500000| |1.380641|1.517105|1.528988|1.664032|1.831611|1.815872|1.642967|3.603414|2.014668|3.410625|3.162972|2.568444|3.132320|0.085735|2.975019|2.559469|2.608864|2.362284|3.558355|0.065963|0.076864|2.987021|3.519402|3.879670|6.801497|6.164774|5.593489|6.047485|6.423688|4.546105|5.885586|0.098712|5.597081|8.795450|17.725742|9.001485|5.634578|4.903864|13.532723|4.884168|0.036859|0.038844|0.036538|0.039789|0.045690|0.053581|0.065742|0.072060|0.074843|0.064526|0.065026|0.077125|0.060676|0.060483|0.074162|0.087699|0.112205|0.106199|0.113281|0.125085|0.192464|0.191095|0.125934|0.102850|0.500000| |1.086943|1.164125|1.159559|1.231178|1.329476|1.338836|1.246964|2.791077|1.419271|2.429920|2.143612|1.683380|1.877856|0.051245|1.816896|1.683581|1.656495|1.565980|2.308874|0.044734|0.048735|1.871307|2.025312|2.165832|3.954864|3.202079|2.765740|2.959626|3.622023|3.426099|5.627110|0.106311|5.695081|4.954515|5.624726|8.836154|17.770563|9.009412|12.513443|7.514134|0.029417|0.030643|0.028910|0.030542|0.033722|0.039286|0.044138|0.048034|0.049323|0.043951|0.042854|0.047631|0.041529|0.041082|0.049003|0.054961|0.059876|0.060316|0.061401|0.073010|0.085047|0.082269|0.072316|0.080404|0.124138|0.500000| |1.121628|1.192802|1.175962|1.236392|1.335115|1.362305|1.280954|2.898275|1.402514|2.372349|2.116457|1.692916|1.859538|0.051136|1.743568|1.623692|1.590288|1.477271|2.125550|0.040910|0.044697|1.704966|1.881040|2.159021|3.898571|3.268108|2.909470|3.231725|4.294038|4.609370|9.088893|0.186163|8.849246|5.586986|4.902534|5.613146|8.933757|17.714558|7.428003|3.922476|0.030341|0.031900|0.029733|0.030939|0.033583|0.040048|0.044892|0.048868|0.047448|0.041997|0.041735|0.045761|0.039249|0.038853|0.044881|0.048887|0.055361|0.055712|0.063265|0.079744|0.085582|0.085311|0.081154|0.106454|0.106689|0.217500|0.500000| |1.079924|1.168580|1.183185|1.274834|1.373364|1.353285|1.244679|2.739085|1.501297|2.625043|2.260219|1.722353|1.958186|0.053017|2.000910|1.838003|1.839293|1.799102|2.773189|0.054567|0.058971|2.273430|2.346094|2.196186|4.032451|3.114236|2.508419|2.549732|2.754379|2.442951|3.535746|0.066114|3.195454|3.411585|4.421915|5.865477|4.903086|3.622129|17.000608|17.638413|0.029201|0.030084|0.028879|0.031236|0.035406|0.039470|0.044617|0.048087|0.053619|0.048908|0.046554|0.052787|0.047522|0.047102|0.058883|0.070124|0.069674|0.069567|0.059602|0.063918|0.078975|0.074935|0.062174|0.059692|0.121556|0.146646|0.089172|0.500000| |1.050413|1.129407|1.137849|1.216313|1.305412|1.294986|1.200822|2.657599|1.409081|2.446110|2.113994|1.633387|1.844869|0.050540|1.839336|1.686944|1.702326|1.641637|2.476262|0.048438|0.052837|1.995174|2.099896|2.076761|3.761780|3.018872|2.485380|2.629247|2.968762|2.692548|4.050220|0.076213|3.768919|3.803088|4.778345|7.022012|6.743844|4.602931|16.428003|17.558784|0.028374|0.029427|0.028095|0.030095|0.033652|0.037708|0.042758|0.045805|0.048953|0.044589|0.043562|0.049214|0.043276|0.043287|0.051726|0.060065|0.062727|0.061711|0.058416|0.063861|0.076643|0.076687|0.064497|0.065053|0.120370|0.225633|0.113633|0.300232|0.500000| 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