Version2.0 2020-02-01T18:51:51Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 11-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H](C)[NH+](CCCc1ccccc1)Cc2c(nn(c2N3CC[NH+](CC3)CC)c4ccc(cc4)F)C C35954596 RHF 6-31G(d) (6D,7F) CC[C@H](C)[NH+](CCCc1ccccc1)Cc2c(nn(c2N3CC[NH+](CC3)CC)c4ccc(cc4)F)C C01[X(C30H44F1N5)] 234 C1 628 CC[C@@H]([NH+](Cc1c(C)nn(c1N1CC[NH+](CC1)CC)c1ccc(cc1)F)CCCc1ccccc1)C CC[C@@H]([NH+](Cc1c(C)nn(c1N1CC[NH+](CC1)CC)c1ccc(cc1)F)CCCc1ccccc1)C CC[C@H](C)[NH+](CCCc1ccccc1)Cc2c(C)nn(c3ccc(F)cc3)c2N4CC[NH+](CC)CC4 InChIKey=WAWILRANYGNRFM-DEOSSOPVSA-P InChI=1S/C30H42FN5/c1-5-24(3)35(18-10-13-26-11-8-7-9-12-26)23-29-25(4)32-36(28-16-14-27(31)15-17-28)30(29)34-21-19-33(6-2)20-22-34/h7-9,11-12,14-17,24H,5-6,10,13,18-23H2,1-4H3/p+2/t24-/m0/s1 InChI=1/C30H42FN5/c1-5-24(3)35(18-10-13-26-11-8-7-9-12-26)23-29-25(4)32-36(28-16-14-27(31)15-17-28)30(29)34-21-19-33(6-2)20-22-34/h7-9,11-12,14-17,24H,5-6,10,13,18-23H2,1-4H3/p+2/t24-/m0/s1/fC30H44FN5/h33,35H/q+2 CC[C@H](C)[NH+](CCCc1ccccc1)Cc2c(nn(c2N3CC[NH+](CC3)CC)c4ccc(cc4)F)C C01[X(C30H44F1N5)] 234 C01 628 CC[C@@H]([NH+](Cc1c(C)nn(c1N1CC[NH+](CC1)CC)c1ccc(cc1)F)CCCc1ccccc1)C CC[C@@H]([NH](C[C@H]1[C@@H](C)NN([C@H]1N1CC[NH](CC1)CC)c1ccc(cc1)F)CCCc1ccccc1)C CC[C@H](C)[NH](CCCc1ccccc1)C[C@H]2[C@@H](C)NN([C@H]2N3CC[NH](CC)CC3)c4ccc(F)cc4 InChIKey=BSKQKFWPUOTACY-XLHSGLJYSA-N InChI=1S/C30H48FN5/c1-5-24(3)35(18-10-13-26-11-8-7-9-12-26)23-29-25(4)32-36(28-16-14-27(31)15-17-28)30(29)34-21-19-33(6-2)20-22-34/h7-9,11-12,14-17,24-25,29-30,32-33,35H,5-6,10,13,18-23H2,1-4H3/t24-,25+,29-,30+/m0/s1 InChI=1/C30H48FN5/c1-5-24(3)35(18-10-13-26-11-8-7-9-12-26)23-29-25(4)32-36(28-16-14-27(31)15-17-28)30(29)34-21-19-33(6-2)20-22-34/h7-9,11-12,14-17,24-25,29-30,32-33,35H,5-6,10,13,18-23H2,1-4H3/t24-,25+,29-,30+/m0/s1 3996.3106815779 -1532.8372233 1-A 23825.5984 133 495 628 |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| -26.48501 -15.93605 -15.90356 -15.84907 -15.80952 -15.77724 -11.52769 -11.52594 -11.52507 -11.51935 -11.51516 -11.51461 -11.51352 -11.51285 -11.50505 -11.48930 -11.47359 -11.45695 -11.44324 -11.44304 -11.44251 -11.43879 -11.43503 -11.42766 -11.42678 -11.42627 -11.42578 -11.42385 -11.40191 -11.39923 -11.37733 -11.36385 -11.36208 -11.35879 -11.35751 -11.35425 -1.80705 -1.60352 -1.57968 -1.53782 -1.48847 -1.38035 -1.32479 -1.31124 -1.30696 -1.30126 -1.29169 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53.11 58.70 76.74 83.04 89.82 106.57 111.10 136.61 149.39 163.36 171.47 192.39 206.27 231.78 255.15 272.38 278.42 297.69 336.06 349.65 371.02 373.31 379.16 391.57 414.14 426.80 449.48 461.04 464.78 500.40 526.90 534.39 571.62 590.71 603.92 619.33 642.41 654.15 654.61 666.74 682.20 699.66 734.54 775.93 791.97 798.11 804.32 822.10 886.74 923.35 933.89 937.73 962.96 979.53 1001.04 1072.88 1101.16 1123.21 1134.99 1152.40 1182.97 1185.94 1192.99 1216.26 1245.23 1258.15 1275.60 1296.41 1298.52 1312.58 1334.21 1354.59 1362.46 1375.30 1378.56 1390.35 1418.98 1444.90 1461.07 1475.17 1495.74 1508.64 1542.82 1551.69 1562.36 1568.75 1582.56 1586.96 1587.57 1589.79 1593.44 1601.47 1606.37 1626.22 1626.55 1629.12 1635.34 1638.82 1641.42 1651.08 1680.04 1687.43 1705.71 1708.16 1709.79 1729.78 1741.01 1791.26 1799.66 1802.70 1809.97 1834.40 1843.40 1862.52 1869.63 1874.93 1897.91 1898.91 1902.77 1932.99 1943.40 1949.98 1989.56 2019.59 2026.61 2034.65 2036.62 2052.55 2058.89 2063.84 2066.78 2094.44 2112.18 2131.73 2141.19 2143.00 2155.10 2172.80 2185.50 2191.27 2204.54 2217.72 2222.88 2242.72 2244.92 2248.16 2252.66 2254.38 2258.57 2261.82 2270.69 2274.92 2282.56 2282.99 2296.63 2313.44 2318.50 2334.95 2339.01 2340.58 2343.77 2347.94 2348.76 2354.63 2355.27 2357.91 2358.59 2361.26 2363.37 2364.75 2366.25 2368.15 2377.84 2381.50 2388.38 2396.66 2405.31 2416.36 2456.70 2552.88 2570.33 2570.51 2604.41 2611.73 4562.27 4571.34 4580.39 4614.68 4622.25 4631.14 4638.79 4653.35 4657.22 4670.58 4677.86 4704.26 4710.78 4713.45 4729.29 4732.49 4739.05 4743.42 4746.99 4747.01 4750.83 4755.00 4765.69 4770.12 4770.26 4770.76 4783.68 4785.50 4806.76 4807.39 4813.03 4816.55 4835.59 4839.41 4840.92 4855.16 4868.07 4869.66 4872.46 4889.93 4905.51 4909.09 5288.21 5371.97 0.763263 0.797553 0.798497 0.691371 -1532.073960 -1532.039671 -1532.038726 -1532.145852 3.593024D-04 MUNgauss RevisionA2.0 retrievium 01-Feb-2020 DUDE CC[C@H](C)[NH+](CCCc1ccccc1)Cc2c(nn(c2N3CC[NH+](CC3)CC)c4ccc(cc4)F)C C35954596 RHF 6-31G(d) (6D,10F) C1 493.358075 |X|Y|Z| 65.723141 53.156019 129.152341 76.699232 28 6 7 23 5 |36.858105| |12.445609|36.858105| |7.362285|12.419723|36.858105| |6.908239|8.991160|17.620216|0.500000| |4.839275|7.466165|12.490280|0.249014|36.858105| |6.168987|7.456510|12.375997|0.254859|7.489465|53.358707| |7.465010|7.556995|9.246878|0.213245|5.690281|25.777094|0.500000| |4.610869|5.597452|7.326457|0.154991|6.432841|17.151260|0.260504|36.858105| |4.677599|5.677634|5.928258|0.125524|5.379734|10.105162|0.197248|12.483590|36.858105| |3.422590|3.912776|4.079650|0.093421|4.015051|6.659280|0.130938|7.569415|12.374089|36.858105| |3.124360|3.482521|3.377939|0.079173|3.337152|5.097809|0.103973|4.922831|7.534847|12.580984|36.858105| |2.844693|3.249924|3.118518|0.073618|3.231898|4.429959|0.088421|4.073422|5.691224|7.550773|13.708451|36.858105| |2.541843|2.816735|2.636562|0.063758|2.701385|3.671748|0.074564|3.189704|4.179500|5.012845|7.900739|13.751869|36.858105| |2.460536|2.621360|2.424110|0.059419|2.404998|3.426490|0.071252|2.914696|3.763251|4.427416|6.830959|7.935103|13.749275|36.858105| |2.632827|2.736690|2.537831|0.062172|2.445397|3.705396|0.078599|3.180040|4.172659|5.012298|7.899802|6.886837|7.951408|13.750800|36.858105| |2.974109|3.129191|2.959165|0.071216|2.818704|4.489732|0.095382|4.053768|5.675019|7.550175|13.710214|7.963941|6.888337|7.936403|13.751131|36.858105| |4.631886|5.035067|7.598767|0.219012|5.790906|17.020798|0.259634|7.586217|4.892947|3.814339|3.005453|2.660525|2.260384|2.130941|2.294182|2.716197|36.858105| |3.773872|3.827911|4.916524|0.137511|4.078171|10.154555|0.196157|6.282403|4.351307|3.678956|2.899666|2.511376|2.151803|2.065482|2.263906|2.694706|12.751019|36.858105| |3.011009|3.120244|3.865611|0.105259|3.510855|7.280867|0.137753|5.461663|3.943362|3.635848|2.843399|2.465366|2.108600|2.019819|2.210801|2.633075|7.267676|13.368522|36.858105| |2.691123|2.694031|3.166043|0.087130|2.863526|5.652716|0.113835|4.215639|3.339171|3.183185|2.586673|2.239372|1.952284|1.903306|2.101598|2.473086|5.179388|8.523002|14.683171|53.358707| |2.912654|2.797351|3.216597|0.090277|2.789760|5.722953|0.121855|3.977213|3.236766|2.983494|2.482304|2.145624|1.892335|1.866565|2.074235|2.422172|5.230701|8.722155|8.993945|19.398024|53.358707| |3.599394|3.400272|4.010518|0.114805|3.291124|7.482022|0.164261|4.687077|3.669507|3.183282|2.623525|2.268708|1.987805|1.948104|2.157462|2.531085|7.390913|13.823420|8.600255|11.674714|19.250810|36.858105| |3.951367|3.477410|3.891636|0.115289|3.090314|6.701151|0.157261|3.977393|3.322825|2.834283|2.424863|2.120197|1.889448|1.869935|2.067427|2.381229|5.991917|7.585564|5.299176|7.288749|10.688305|13.606483|53.358707| |4.045636|3.365923|3.497553|0.100232|2.783138|5.821170|0.143885|3.618702|3.246973|2.795018|2.461736|2.133345|1.926333|1.942465|2.179009|2.492829|4.529936|5.282595|4.124881|5.839232|8.009116|7.608005|17.937928|36.858105| |3.174547|2.691496|2.757693|0.079648|2.290564|4.349412|0.101767|2.814975|2.588909|2.313039|2.091042|1.842243|1.693350|1.721534|1.918119|2.142722|3.414757|3.927906|3.339246|4.933956|6.590209|5.344038|10.486076|12.471146|36.858105| |3.000736|2.556203|2.634782|0.078414|2.206940|3.990936|0.090823|2.530127|2.307453|2.052932|1.864008|1.673722|1.545098|1.557446|1.706171|1.884084|3.215838|3.544249|3.008062|4.341538|5.567577|4.590348|8.983550|7.625044|12.673649|53.358707| |3.286205|2.721463|2.748944|0.082576|2.274588|4.061301|0.093240|2.530916|2.332221|2.047889|1.872368|1.689869|1.564544|1.576127|1.719979|1.890622|3.199847|3.374054|2.819010|3.950486|4.910385|4.182601|8.158836|7.067904|9.291906|25.672516|0.500000| |2.946354|2.597257|2.790641|0.084938|2.352801|4.252277|0.093996|2.652690|2.338034|2.073519|1.850500|1.669095|1.526647|1.519672|1.651656|1.836376|3.651852|4.086564|3.423165|4.917613|6.383763|5.381896|10.498237|6.593346|7.709996|17.261061|0.258356|36.858105| |3.615934|3.193783|3.567392|0.111386|2.896133|5.597521|0.124409|3.294394|2.793950|2.403278|2.096791|1.879479|1.693799|1.668721|1.813904|2.047621|5.115793|5.663500|4.269589|5.790235|7.613843|7.675843|17.925239|7.834622|6.599214|10.410147|0.197451|12.473582|36.858105| |2.456576|2.135262|2.179460|0.064216|1.878061|3.240195|0.072298|2.117986|1.965568|1.787778|1.648464|1.493632|1.394425|1.413132|1.541253|1.678266|2.574860|2.818761|2.509095|3.669337|4.511273|3.481046|6.009890|4.953467|7.662298|17.119345|0.258643|7.567178|4.934072|36.858105| |2.276886|1.995327|2.031145|0.060545|1.770738|2.935202|0.064480|1.910720|1.777107|1.615187|1.498285|1.375222|1.289896|1.301051|1.403024|1.514709|2.333151|2.474346|2.212591|3.168336|3.757237|2.926434|4.892668|3.793376|4.953448|10.233498|0.200668|6.129015|4.249385|12.525601|36.858105| |2.531706|2.386388|2.639357|0.074334|2.321140|4.439374|0.095896|3.123904|2.697788|2.548848|2.199299|1.917082|1.723104|1.723058|1.918092|2.196935|3.803356|5.307413|5.500571|10.891881|18.150837|7.588903|8.531065|5.499019|5.291032|5.925527|0.101942|4.798358|4.937436|3.700603|2.974869|36.858105| |2.425974|2.266197|2.433827|0.067304|2.147527|4.054203|0.089127|2.940549|2.649690|2.560294|2.251027|1.942734|1.761144|1.787986|2.018435|2.305649|3.259462|4.276691|4.422354|8.055408|10.642455|5.607975|6.877112|5.178965|5.200051|5.437685|0.094984|3.987731|3.979294|3.537707|2.801782|13.745533|36.858105| |2.115845|1.970862|2.082582|0.057886|1.862085|3.348905|0.073115|2.427176|2.240787|2.188566|1.974996|1.730148|1.592881|1.628578|1.826964|2.042599|2.654981|3.289316|3.388052|5.813416|6.997435|4.085155|5.363082|4.163576|4.629598|5.059602|0.088014|3.595528|3.364985|3.557735|2.812766|7.937544|13.757797|36.858105| |1.952774|1.825569|1.939395|0.054649|1.748011|3.059713|0.065942|2.184748|2.000868|1.941674|1.757538|1.563484|1.444768|1.467431|1.623523|1.797376|2.473090|3.014712|3.101891|5.249031|6.219264|3.703717|4.956217|3.685636|4.261642|5.066485|0.086804|3.724614|3.318256|3.740874|2.997807|6.950410|8.007929|13.790288|36.858105| |1.998596|1.880081|2.031482|0.057996|1.832616|3.202823|0.068242|2.249621|2.015452|1.932203|1.728978|1.547151|1.421105|1.428423|1.566947|1.740750|2.675252|3.300456|3.399808|5.815185|7.002040|4.103999|5.431010|3.763261|4.266955|5.401575|0.091303|4.314301|3.783137|3.900910|3.191793|7.936890|6.848898|7.875296|13.785478|36.858105| |2.254247|2.131633|2.353575|0.067470|2.102805|3.803522|0.080731|2.641125|2.298942|2.175425|1.906664|1.694666|1.537730|1.533462|1.684179|1.896777|3.296707|4.300814|4.448636|8.061164|10.658002|5.655727|7.019214|4.464768|4.701833|5.864459|0.099104|5.036722|4.722557|3.871271|3.172508|13.741418|7.918884|6.849219|8.007571|13.759535|36.858105| |1.747552|1.634894|1.717418|0.048373|1.562072|2.657562|0.057078|1.904925|1.772240|1.731661|1.591786|1.429114|1.333782|1.360402|1.497843|1.636477|2.115728|2.496257|2.558297|4.163358|4.726975|2.959590|4.033797|3.050630|3.565559|4.399648|0.077028|3.159977|2.783241|3.432709|2.834312|4.695630|5.325384|8.197307|14.473169|8.198824|5.326057|97.533100| |2.680626|2.896700|3.611000|0.096271|3.560862|6.362101|0.114341|5.253492|3.836158|3.721327|2.877290|2.546436|2.155450|2.026430|2.180079|2.587311|5.780617|7.197297|12.690867|10.679363|7.303962|5.161283|5.143127|3.139505|2.645645|3.319999|0.064504|2.730676|3.274122|2.099186|1.895124|3.974639|3.421842|2.785181|2.591122|2.801585|3.452495|4.969139|36.858105| |17.531792|8.746564|6.778967|0.208106|4.523504|7.729570|0.184437|4.095620|3.899694|2.977239|2.697231|2.476012|2.229726|2.162066|2.302906|2.577458|4.755704|3.840292|3.007872|3.677620|4.045258|3.738400|5.830753|4.271187|3.375925|4.511340|0.103172|3.297162|4.129642|2.667258|2.503712|2.590710|2.437959|2.134565|1.996958|2.069389|2.342365|4.016675|2.643821|0.500000| |17.595647|8.845323|5.439635|0.142970|4.059297|6.311161|0.148828|3.801363|4.059481|3.114421|2.972372|2.758787|2.531138|2.478190|2.627844|2.885492|3.668497|3.122270|2.586048|3.208109|3.455743|3.034178|4.537501|3.518783|2.889878|3.740678|0.084184|2.641483|3.107814|2.307947|2.161466|2.264143|2.204163|1.956977|1.810618|1.836527|2.036736|3.689304|2.340240|0.302446|0.500000| |17.500560|8.667275|6.420601|0.162464|4.345930|8.932768|0.253158|5.028869|5.181999|3.752418|3.387814|2.970341|2.637211|2.596634|2.859600|3.299442|4.838094|4.154784|3.276121|4.028741|4.437066|4.069799|6.135220|4.854649|3.626515|4.459128|0.098658|3.148348|3.873899|2.641039|2.383455|2.822747|2.741742|2.357696|2.138550|2.166896|2.454683|4.270096|2.841200|0.299792|0.304748|0.500000| |8.830587|17.623873|8.760852|0.174515|6.764973|8.987930|0.185923|5.866431|6.949050|4.583197|4.181120|3.919204|3.339573|3.063051|3.180948|3.670254|4.408456|3.533901|2.989471|3.536840|3.617786|3.141398|4.274931|3.107823|2.513479|3.191900|0.068598|2.354696|2.828300|1.988032|1.847161|2.285224|2.207998|1.924993|1.767864|1.800979|2.026996|3.575423|2.829906|0.172569|0.211770|0.210114|0.500000| |8.917431|17.565922|9.083007|0.220333|7.101277|7.522672|0.149744|4.420888|4.468941|3.326781|3.052522|2.957594|2.622617|2.426599|2.476361|2.752949|4.220825|3.269245|2.735107|3.248399|3.354092|2.937240|4.115658|2.916418|2.413170|3.191937|0.069722|2.392291|2.884593|1.990445|1.893419|2.136396|2.025568|1.787603|1.675012|1.730446|1.943779|3.405173|2.589953|0.209764|0.218359|0.172725|0.305947|0.500000| |4.565073|6.846532|8.966405|0.220880|17.592828|7.506869|0.127350|4.736753|4.261262|3.346500|2.920691|2.902517|2.499965|2.234054|2.240575|2.517294|4.641551|3.428198|2.984289|3.408643|3.358665|2.880471|3.784661|2.532116|2.127850|2.837854|0.060210|2.216766|2.685100|1.791561|1.712682|2.097620|1.946403|1.711594|1.621143|1.700756|1.930489|3.287115|3.015852|0.121860|0.110571|0.109309|0.167346|0.214325|0.500000| |4.002195|5.436343|8.721205|0.211258|17.580294|9.393453|0.142493|6.195735|4.766208|3.790131|3.089792|2.976870|2.492375|2.227102|2.271335|2.620414|6.271189|4.371913|3.862910|4.176551|3.969612|3.404804|4.219937|2.716046|2.253217|2.970468|0.061742|2.372434|2.928837|1.862642|1.757747|2.397446|2.184721|1.888727|1.784559|1.889845|2.186359|3.576130|4.080044|0.107916|0.094285|0.103597|0.138702|0.143519|0.303752|0.500000| |4.451063|6.783885|8.725280|0.173724|17.610043|8.880086|0.144426|6.753399|6.312276|4.703299|3.903030|3.873160|3.141081|2.717138|2.725260|3.164154|4.852305|3.696574|3.307673|3.718323|3.580465|3.026725|3.837428|2.603619|2.158006|2.791021|0.058452|2.153002|2.595500|1.763193|1.654727|2.211199|2.081035|1.810047|1.686357|1.748849|1.989898|3.404162|3.431848|0.110579|0.107555|0.114365|0.200312|0.175739|0.303162|0.300434|0.500000| |3.932066|4.936785|6.763901|0.147206|7.286404|12.356325|0.182430|17.656594|8.771765|6.706690|4.510469|3.969446|3.095115|2.758117|2.919239|3.618064|6.893142|5.565868|5.228245|5.385068|4.888760|4.094696|4.714312|3.096698|2.494051|3.120236|0.063564|2.439057|2.992660|1.947401|1.780277|2.853711|2.656326|2.227183|2.036275|2.115405|2.473289|4.023245|5.668361|0.099823|0.092430|0.113179|0.142244|0.115384|0.143499|0.215595|0.220033|0.500000| |4.012731|4.451494|5.497619|0.128573|4.831008|12.513992|0.225960|17.675363|8.914331|7.136654|4.642822|3.725785|2.976538|2.789902|3.115786|4.010239|7.387453|7.571413|7.026475|7.201121|6.566566|5.521845|5.937631|3.933412|3.033796|3.625749|0.072643|2.799972|3.461867|2.225262|1.976979|3.653017|3.439158|2.757359|2.441004|2.505619|2.986011|4.720725|6.367893|0.101926|0.093608|0.125794|0.126947|0.100887|0.105631|0.135866|0.136733|0.302918|0.500000| |5.347725|5.874545|5.531987|0.121424|4.594905|9.423253|0.215631|8.826563|17.523184|8.843196|6.902568|5.082809|4.004330|3.820627|4.434418|6.063159|4.630834|4.250500|3.733778|4.459644|4.495693|3.788513|4.837677|3.631128|2.844984|3.385525|0.070282|2.463816|2.931493|2.103676|1.883729|2.794582|2.794527|2.360598|2.085125|2.078362|2.358124|4.153035|3.451606|0.119206|0.129397|0.178439|0.200205|0.124789|0.105896|0.112263|0.140495|0.172883|0.209007|0.500000| |4.818949|6.461919|6.307843|0.129182|6.185942|8.883964|0.167800|8.786094|17.623475|8.885885|6.998479|6.151738|4.487659|3.860235|4.042919|5.135366|4.383534|3.730311|3.372728|3.916047|3.815741|3.179673|4.028352|2.888976|2.351395|2.914252|0.060751|2.170965|2.576802|1.838881|1.686348|2.377244|2.322661|2.001371|1.812609|1.833177|2.071530|3.649333|3.355115|0.109639|0.118980|0.138424|0.246421|0.144193|0.137093|0.141944|0.224401|0.212835|0.174001|0.303154|0.500000| |3.074844|3.601235|3.909372|0.090335|4.120895|6.185628|0.115749|7.000640|8.832201|17.538711|8.900018|7.145601|4.728900|3.980112|4.218481|5.676081|3.700503|3.529162|3.603076|4.223707|3.853492|2.986812|3.577463|2.532452|2.125737|2.609029|0.052976|1.963289|2.272129|1.680055|1.530908|2.413150|2.387918|2.055261|1.847077|1.854982|2.089909|3.717778|3.920224|0.075923|0.077794|0.090807|0.114472|0.087512|0.095083|0.111602|0.137251|0.202576|0.180200|0.173676|0.211806|0.500000| |3.198461|3.487342|3.689908|0.087256|3.522326|6.319351|0.127785|6.947980|8.821699|17.538222|8.893807|5.670287|4.215744|3.978574|4.728409|7.147179|3.817137|3.924295|4.011086|4.885640|4.523254|3.448895|4.087337|2.977465|2.461863|2.922355|0.058798|2.163831|2.493247|1.870057|1.670211|2.836355|2.895345|2.440637|2.129771|2.101105|2.372861|4.240990|4.031843|0.078792|0.080560|0.099709|0.108721|0.082545|0.082432|0.094925|0.108972|0.165635|0.216267|0.212605|0.174119|0.303563|0.500000| |2.798277|3.303448|3.253574|0.076381|3.538470|4.521570|0.087613|4.186772|5.566845|6.995474|8.896899|17.688259|8.937345|5.649155|4.957090|5.650265|2.727999|2.528977|2.493444|3.037270|2.880076|2.245043|2.836665|2.060517|1.779164|2.223470|0.045822|1.647323|1.865382|1.456334|1.348841|1.875475|1.874569|1.667701|1.520009|1.517782|1.669667|3.123391|2.633998|0.068279|0.074674|0.079529|0.109852|0.084733|0.088112|0.090961|0.121767|0.119249|0.103681|0.129835|0.176988|0.214078|0.143721|0.500000| |2.340188|2.609276|2.448238|0.059777|2.558425|3.335669|0.067135|2.837914|3.562380|4.091344|5.633129|8.925832|17.725107|8.913889|5.650802|4.960629|2.083061|1.969932|1.933563|2.436829|2.359339|1.819352|2.362719|1.759069|1.559546|1.956970|0.040510|1.425573|1.575641|1.304354|1.215488|1.584208|1.609784|1.465790|1.340824|1.323831|1.427852|2.797814|1.992174|0.057617|0.065158|0.066298|0.084844|0.068973|0.066920|0.065787|0.082521|0.078085|0.073236|0.093930|0.108440|0.112216|0.097127|0.216126|0.500000| |2.230510|2.347558|2.163878|0.053764|2.149300|3.023403|0.062968|2.510532|3.123058|3.542712|4.931072|5.644519|8.911536|17.729166|8.911283|5.644776|1.910545|1.855675|1.815599|2.347219|2.312072|1.766193|2.326671|1.781297|1.599407|1.981454|0.040982|1.415674|1.540355|1.332042|1.232350|1.584268|1.646769|1.516218|1.373532|1.334482|1.421892|2.885729|1.819004|0.055001|0.063125|0.064843|0.074990|0.061267|0.056235|0.055502|0.066614|0.066469|0.067061|0.088582|0.089368|0.090601|0.090570|0.124257|0.214777|0.500000| |2.469767|2.498260|2.311431|0.057495|2.200526|3.380494|0.072564|2.825555|3.554406|4.090431|5.631940|4.959631|5.650847|8.915265|17.722188|8.922348|2.130483|2.129006|2.078959|2.732868|2.724678|2.066660|2.723227|2.139365|1.909239|2.301482|0.047303|1.620166|1.758287|1.539674|1.398260|1.880203|2.003880|1.833939|1.624463|1.553574|1.654311|3.393037|2.026975|0.060601|0.069072|0.074952|0.079035|0.063118|0.056460|0.057088|0.066871|0.071813|0.078150|0.107313|0.094645|0.097184|0.112214|0.107602|0.124175|0.214802|0.500000| |3.029526|3.087085|2.952000|0.071799|2.735836|4.637169|0.100920|4.149367|5.540238|6.996295|8.898632|5.650263|4.957447|5.648977|8.935159|17.682847|2.838294|2.896953|2.832804|3.680912|3.639186|2.770808|3.538186|2.766818|2.364746|2.775639|0.056481|1.972014|2.193480|1.810030|1.613920|2.436228|2.604091|2.287247|1.979457|1.898302|2.070119|4.030934|2.716896|0.073439|0.080773|0.096023|0.098061|0.074524|0.067540|0.071310|0.083263|0.099908|0.119341|0.174810|0.130745|0.143917|0.214436|0.124012|0.107612|0.124243|0.215988|0.500000| |3.945091|4.531921|6.989131|0.200191|6.384109|12.366386|0.182561|6.945803|4.525241|3.670547|2.890951|2.619273|2.217209|2.060024|2.182684|2.563088|17.643194|8.928629|6.826321|6.471047|6.081348|5.613826|6.264814|3.627337|2.893503|3.781095|0.076629|3.168162|4.202103|2.293110|2.114715|3.360529|2.892968|2.405204|2.270539|2.467768|3.003000|4.419008|6.400994|0.111757|0.089859|0.110285|0.112547|0.110623|0.140043|0.220449|0.144835|0.207141|0.180850|0.113324|0.116643|0.103418|0.100331|0.076222|0.057348|0.051417|0.055984|0.073120|0.500000| |4.982728|5.123529|7.403733|0.258545|5.350424|12.435682|0.225809|5.599432|4.108844|3.240294|2.669053|2.401703|2.082748|1.978880|2.118740|2.457429|17.654810|8.950729|5.578001|6.022365|6.482522|6.879694|8.881535|4.772371|3.613645|4.826167|0.099974|4.127589|6.166403|2.780943|2.552617|3.634131|3.096995|2.571839|2.435877|2.659904|3.253141|4.716451|4.510798|0.153665|0.108205|0.139353|0.118139|0.122648|0.127537|0.154941|0.120835|0.143042|0.148583|0.112323|0.106367|0.086769|0.089403|0.068112|0.053740|0.049790|0.055181|0.071144|0.303019|0.500000| |4.930956|3.812270|3.788326|0.109126|2.925968|6.054024|0.155279|3.635880|3.352125|2.807336|2.508618|2.188262|1.984625|2.002184|2.237162|2.541539|4.436263|4.688122|3.629980|4.911008|6.222167|5.922181|12.433152|17.470281|8.885727|9.238342|0.204223|5.682139|6.874602|4.561263|3.683604|4.199018|4.031902|3.399378|3.063960|3.113383|3.578563|5.914788|2.877722|0.147470|0.118448|0.169247|0.096121|0.091091|0.074641|0.077487|0.075723|0.085848|0.105283|0.106374|0.084322|0.070158|0.081182|0.058607|0.050385|0.051059|0.060938|0.077556|0.098631|0.134054|0.500000| |3.887635|3.313065|3.419537|0.094366|2.758358|5.885222|0.146969|3.872296|3.542088|3.098807|2.716017|2.302841|2.070045|2.105501|2.405667|2.794266|4.381543|5.296144|4.320505|6.240025|8.437457|7.346796|12.449725|17.633335|8.956761|7.593107|0.143665|4.959077|5.678588|4.135068|3.224206|5.801007|5.997543|4.581512|3.802942|3.722152|4.375800|7.027088|3.279125|0.108300|0.094796|0.133519|0.087642|0.078758|0.068857|0.074629|0.073184|0.090190|0.120950|0.112257|0.085233|0.076593|0.094051|0.061075|0.051964|0.053280|0.065832|0.088314|0.098324|0.120474|0.302898|0.500000| |3.086286|2.580464|2.566784|0.073258|2.145485|3.966891|0.093187|2.611031|2.477061|2.229509|2.056282|1.814595|1.685940|1.732455|1.937956|2.140503|2.995922|3.337629|2.896592|4.228527|5.355042|4.253216|7.630941|8.814992|17.620449|12.362554|0.225577|5.622455|4.954136|7.141686|4.747133|4.281453|4.502360|4.224122|3.830428|3.661069|3.839673|7.545127|2.364865|0.089837|0.080092|0.098361|0.067725|0.064589|0.055746|0.058002|0.056737|0.064234|0.077301|0.076580|0.062915|0.056539|0.065693|0.048307|0.043104|0.044940|0.054148|0.065796|0.071493|0.087313|0.218841|0.211004|0.500000| |2.777445|2.434814|2.534272|0.072618|2.152477|4.036876|0.092249|2.690533|2.460027|2.248801|2.026482|1.783300|1.638848|1.667082|1.859486|2.078616|3.224873|3.858671|3.434890|5.325314|7.284427|5.331592|9.246474|8.778819|17.663584|12.428262|0.181839|7.004637|5.776561|7.141842|4.608346|6.632704|6.709184|6.117736|5.613504|5.493055|5.910461|10.016181|2.707387|0.080843|0.070468|0.087247|0.063908|0.060913|0.055364|0.059544|0.056685|0.066913|0.082041|0.074060|0.061713|0.057809|0.067343|0.047878|0.041946|0.043057|0.051516|0.063976|0.077223|0.092465|0.173538|0.216111|0.300473|0.500000| |2.748574|2.441362|2.610008|0.080457|2.232537|3.842154|0.083490|2.399824|2.131307|1.895087|1.705778|1.556827|1.431698|1.421248|1.530859|1.686689|3.275200|3.506215|2.992944|4.216720|5.176290|4.288775|7.637290|4.940773|5.615215|12.325183|0.224521|17.654609|8.828774|7.001037|6.966845|3.853645|3.281378|3.048060|3.217848|3.721184|4.163579|6.367894|2.471335|0.086483|0.069306|0.079496|0.061217|0.063646|0.059327|0.062608|0.056513|0.062203|0.069216|0.061900|0.055770|0.050228|0.054383|0.042876|0.037375|0.036953|0.041703|0.049830|0.081051|0.104203|0.127803|0.108916|0.126593|0.143367|0.500000| |2.622504|2.367109|2.565235|0.076781|2.208587|3.967626|0.086481|2.551584|2.243055|2.027434|1.805033|1.624857|1.485984|1.480987|1.612523|1.794421|3.436627|4.027847|3.540814|5.325720|7.043129|5.401142|9.318374|5.816067|7.041299|12.449602|0.182009|17.649851|8.782506|7.047471|5.511294|5.750949|4.554928|4.164796|4.524097|5.611607|6.671304|8.373687|2.808059|0.079528|0.065673|0.078203|0.060516|0.060553|0.057500|0.062538|0.056660|0.065654|0.076124|0.065142|0.057471|0.053588|0.059403|0.044539|0.038535|0.038339|0.044020|0.053728|0.084269|0.103793|0.132459|0.131162|0.143787|0.211086|0.300135|0.500000| |3.294787|3.051191|3.540335|0.112076|2.959400|5.518989|0.116399|3.273873|2.710877|2.352093|2.034261|1.837559|1.649132|1.610498|1.736718|1.961024|5.428318|6.022010|4.623925|6.142154|7.698067|7.463684|12.459033|5.680654|4.954475|7.602287|0.144286|8.953385|17.628069|4.109283|3.718182|4.802822|3.726380|3.161386|3.182673|3.749338|4.806933|6.018971|3.560427|0.103482|0.078759|0.095660|0.075131|0.077506|0.076210|0.085407|0.072898|0.084877|0.095514|0.077031|0.069811|0.062813|0.067587|0.051163|0.042814|0.041290|0.046510|0.057880|0.128766|0.183385|0.140916|0.127615|0.108989|0.130053|0.212079|0.215163|0.500000| |4.144969|3.539140|3.876736|0.125426|3.065516|5.764922|0.129438|3.273143|2.818386|2.377701|2.094638|1.893355|1.711792|1.682524|1.817685|2.039601|5.029240|4.962124|3.730209|4.872394|6.006688|5.943970|12.407184|6.877710|5.708889|9.300854|0.206610|8.885936|17.476858|4.558154|4.157279|3.908153|3.335006|2.885882|2.825420|3.127359|3.721165|5.485546|2.985802|0.139201|0.098108|0.119906|0.084747|0.089567|0.080185|0.084468|0.075300|0.082545|0.092285|0.082635|0.073518|0.062307|0.067320|0.052291|0.044366|0.043214|0.048847|0.060134|0.114946|0.179936|0.198351|0.140779|0.128770|0.132218|0.218175|0.173471|0.302793|0.500000| |2.429186|2.092308|2.097975|0.061062|1.808591|3.111840|0.070017|2.057107|1.943109|1.775663|1.654998|1.497050|1.406274|1.436516|1.573511|1.703607|2.410995|2.622558|2.349137|3.428217|4.162093|3.193708|5.413515|4.758017|7.435967|12.424817|0.221016|5.595796|4.164560|17.629916|8.851202|3.413160|3.424613|3.505043|3.568997|3.529198|3.446124|7.537908|1.982584|0.072289|0.064265|0.073166|0.054614|0.054105|0.047946|0.049433|0.047572|0.052269|0.059952|0.058322|0.050504|0.046057|0.051647|0.040292|0.036477|0.037720|0.043980|0.051232|0.059649|0.071475|0.125070|0.114483|0.231392|0.187814|0.142613|0.146293|0.096963|0.109965|0.500000| |2.266128|2.009433|2.077873|0.060847|1.811702|3.125761|0.069026|2.074516|1.913571|1.761946|1.618172|1.463821|1.364433|1.382046|1.508885|1.646460|2.514946|2.821467|2.572851|3.856315|4.762497|3.515932|5.812655|4.605941|6.946119|12.385861|0.182053|7.095417|4.647394|17.626945|8.764684|4.111386|3.914131|4.085503|4.533881|4.798149|4.521237|9.354269|2.147700|0.067526|0.058894|0.067795|0.052342|0.051953|0.047785|0.050360|0.047416|0.053266|0.061238|0.056458|0.049467|0.046199|0.051593|0.039684|0.035448|0.036171|0.041879|0.049453|0.062714|0.074284|0.112528|0.110914|0.171545|0.213464|0.176649|0.218674|0.111992|0.113657|0.301812|0.500000| |2.038835|1.803328|1.826066|0.053938|1.611245|2.629991|0.057481|1.738568|1.632081|1.499383|1.401635|1.291003|1.217967|1.232772|1.327344|1.423340|2.070173|2.196548|2.000439|2.878161|3.357627|2.560672|4.139116|3.231765|4.152226|7.529861|0.147107|4.650966|3.451409|8.976143|17.590945|2.690811|2.588031|2.666774|2.872462|2.998253|2.885070|6.312062|1.735778|0.061461|0.054314|0.059202|0.046807|0.047739|0.043392|0.044440|0.042125|0.045195|0.049992|0.047970|0.043116|0.039548|0.043105|0.035123|0.031949|0.032575|0.036905|0.042082|0.052643|0.062065|0.087137|0.078942|0.114882|0.111332|0.141243|0.123521|0.086149|0.093507|0.218384|0.209723|0.500000| |2.210898|1.967457|2.034043|0.061171|1.785854|2.932013|0.063598|1.902402|1.748740|1.589737|1.465499|1.349593|1.261455|1.264622|1.357720|1.469354|2.376230|2.518764|2.260684|3.230786|3.807335|2.958869|4.870955|3.568598|4.423244|8.969500|0.171380|6.547346|4.427148|8.721042|17.608899|2.991616|2.737392|2.726379|2.961724|3.270734|3.284980|6.260420|1.941017|0.067892|0.057837|0.063677|0.050370|0.052083|0.048065|0.049671|0.046088|0.049652|0.054651|0.050978|0.046176|0.042153|0.045594|0.036974|0.033100|0.033236|0.037407|0.043315|0.060342|0.072684|0.095113|0.084337|0.112571|0.117587|0.234819|0.166704|0.111752|0.118676|0.172483|0.210758|0.303514|0.500000| |2.414415|2.085589|2.093981|0.062743|1.813956|2.977773|0.065707|1.919716|1.797793|1.620102|1.509975|1.390868|1.307567|1.318490|1.417857|1.525740|2.334766|2.418705|2.135798|3.005021|3.530739|2.813772|4.749296|3.729577|4.643322|9.340900|0.215063|5.504342|4.137640|8.773242|17.554002|2.717703|2.573883|2.540781|2.639094|2.778442|2.819697|5.599696|1.840577|0.074616|0.064210|0.069561|0.053313|0.055302|0.049067|0.049605|0.046971|0.049596|0.054566|0.053149|0.047723|0.042562|0.046185|0.037893|0.034271|0.034732|0.039226|0.044970|0.058668|0.071699|0.105298|0.087511|0.127536|0.114219|0.175506|0.129858|0.099502|0.119037|0.208892|0.171995|0.302997|0.299655|0.500000| |2.572369|2.406569|2.563637|0.069587|2.252711|4.346698|0.096771|3.239335|2.964696|2.896867|2.534990|2.146090|1.935378|1.977339|2.267785|2.628854|3.371720|4.399361|4.541889|7.935479|9.775893|5.533403|6.650555|5.236003|4.863623|4.979871|0.089954|3.567910|3.712990|3.195722|2.569768|8.919032|17.726712|8.920679|5.674953|4.941022|5.641506|9.624314|3.538082|0.070466|0.064880|0.082141|0.065989|0.059090|0.056237|0.063137|0.061321|0.079769|0.107403|0.087965|0.070899|0.073769|0.093135|0.056952|0.048667|0.050231|0.062616|0.084263|0.082462|0.087151|0.115661|0.184778|0.121837|0.160251|0.082596|0.107714|0.095758|0.089049|0.087900|0.094692|0.066048|0.069119|0.066950|0.500000| 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