Version2.0 2020-01-16T21:28:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1F)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@H](C)Oc4ccc(cc4)OC)F C39665698 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1F)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@H](C)Oc4ccc(cc4)OC)F C01[X(C27H34F2N3O4)] 204 C1 608 COc1ccc(cc1)O[C@H](CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1c(F)ccc(c1F)C)C COc1ccc(cc1)O[C@H](CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1c(F)ccc(c1F)C)C COc1ccc(O[C@@H](C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4c(F)ccc(C)c4F)cc1 InChIKey=MPAIGBAALGISOY-GHTZIAJQSA-O InChI=1S/C27H33F2N3O4/c1-17-4-9-22(28)23(24(17)29)26(34)32-15-21(27(16-32)10-12-30-13-11-27)25(33)31-14-18(2)36-20-7-5-19(35-3)6-8-20/h4-9,18,21,30H,10-16H2,1-3H3,(H,31,33)/p+1/t18-,21+/m0/s1 InChI=1/C27H33F2N3O4/c1-17-4-9-22(28)23(24(17)29)26(34)32-15-21(27(16-32)10-12-30-13-11-27)25(33)31-14-18(2)36-20-7-5-19(35-3)6-8-20/h4-9,18,21,30H,10-16H2,1-3H3,(H,31,33)/p+1/t18-,21+/m0/s1/fC27H34F2N3O4/h30-31H/q+1 Cc1ccc(c(c1F)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@H](C)Oc4ccc(cc4)OC)F C01[X(C27H34F2N3O4)] 204 C01 608 COc1ccc(cc1)O[C@H](CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1c(F)ccc(c1F)C)C COc1ccc(cc1)O[C@H](CNC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)c1c(F)ccc(c1F)C)C COc1ccc(O[C@@H](C)CNC(=O)[C@H]2CN(CC23CC[NH2]CC3)C(=O)c4c(F)ccc(C)c4F)cc1 InChIKey=XXYUSXVGIZLNLJ-GHTZIAJQSA-N InChI=1S/C27H34F2N3O4/c1-17-4-9-22(28)23(24(17)29)26(34)32-15-21(27(16-32)10-12-30-13-11-27)25(33)31-14-18(2)36-20-7-5-19(35-3)6-8-20/h4-9,18,21H,10-16,30H2,1-3H3,(H,31,33)/t18-,21+/m0/s1 InChI=1/C27H34F2N3O4/c1-17-4-9-22(28)23(24(17)29)26(34)32-15-21(27(16-32)10-12-30-13-11-27)25(33)31-14-18(2)36-20-7-5-19(35-3)6-8-20/h4-9,18,21H,10-16,30H2,1-3H3,(H,31,33)/t18-,21+/m0/s1/f/h31H 3913.0317256440 -1703.728332 1-A 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 13818.7042 37051.7693 44519.8899 0.99993 0.01138 -0.00161 -0.01135 0.99984 0.01349 0.00176 -0.01348 0.99991 1 0.00627 0.00234 0.00195 0.13060 0.04871 0.04054 6.08 19.46 23.81 31.93 38.73 41.56 59.86 72.13 88.36 93.20 111.21 130.65 141.75 147.40 155.37 196.35 210.51 232.34 236.47 278.65 290.54 304.70 332.05 346.65 356.81 363.87 374.26 380.43 400.34 404.28 410.15 429.26 463.45 475.14 523.41 542.68 559.04 579.10 587.91 628.52 629.10 651.09 680.37 688.57 711.07 714.15 721.09 760.30 777.03 800.52 818.49 838.32 840.32 907.20 912.83 921.36 957.84 990.03 1006.71 1010.94 1070.11 1119.86 1120.90 1168.27 1185.90 1193.89 1209.61 1227.53 1241.26 1252.65 1259.89 1290.53 1328.85 1337.84 1349.10 1357.99 1365.07 1376.91 1388.96 1407.89 1457.47 1488.28 1512.96 1525.02 1529.02 1549.25 1558.30 1568.08 1571.65 1586.28 1592.14 1595.36 1608.85 1623.03 1635.17 1654.64 1663.91 1692.01 1698.07 1714.13 1717.95 1756.08 1765.09 1782.05 1798.05 1803.19 1824.96 1828.38 1843.89 1853.05 1861.51 1877.79 1893.22 1908.98 1917.80 1918.38 1931.96 1947.94 1972.50 1981.25 2007.47 2013.33 2025.23 2059.47 2075.26 2078.23 2080.09 2087.09 2092.93 2106.42 2127.18 2152.72 2169.05 2197.94 2201.63 2227.17 2235.94 2240.79 2244.38 2255.52 2259.95 2267.44 2272.79 2277.24 2279.80 2310.36 2332.20 2342.81 2346.69 2349.13 2351.17 2363.48 2366.37 2371.44 2373.50 2375.57 2386.73 2387.98 2399.73 2416.53 2430.48 2438.86 2475.59 2564.72 2588.98 2625.67 2628.71 2634.81 2766.93 2797.60 4603.81 4617.79 4621.06 4625.05 4632.17 4635.52 4636.30 4650.66 4696.07 4703.71 4705.77 4708.87 4717.45 4720.08 4720.62 4726.15 4749.05 4751.23 4769.28 4772.50 4776.60 4790.67 4800.27 4802.08 4816.39 4844.21 4868.51 4869.50 4895.86 4905.12 4907.60 5273.78 5366.74 5591.40 0.633995 0.666650 0.667594 0.563157 -1703.094337 -1703.061682 -1703.060738 -1703.165175 3.502834D-04 MUNgauss RevisionA2.0 retrievium 16-Jan-2020 DUDE Cc1ccc(c(c1F)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@H](C)Oc4ccc(cc4)OC)F C39665698 RHF 6-31G(d) (6D,10F) C1 502.251738 |X|Y|Z| 134.958982 77.297830 44.145599 77.223978 28 6 7 8 24 3 1 |36.858105| |12.622969|36.858105| |7.480769|13.724894|36.858105| |4.978824|7.845134|13.737253|36.858105| |4.445371|6.861005|8.038648|13.872628|36.858105| |5.000594|7.809548|6.870160|7.888851|13.783403|36.858105| |7.582024|13.771985|8.085290|6.945875|8.092483|13.789062|36.858105| |6.834435|8.172682|5.333423|4.678950|5.348747|8.213480|14.333931|97.533100| |3.800624|5.006566|4.455942|5.011221|7.525587|12.655223|7.596455|15.476966|36.858105| |3.502046|4.352669|3.842544|4.164313|5.646477|8.070122|6.181954|14.029307|15.902397|73.516695| |3.228262|4.051202|3.744329|4.245513|5.973814|7.807068|5.512097|11.783451|14.050992|15.169623|53.358707| |3.158106|3.934729|3.764827|4.297304|5.705515|6.500388|4.967578|10.243546|7.547667|9.397246|17.761631|36.858105| |2.549947|3.001846|2.890518|3.217634|3.967329|4.331911|3.600648|7.866468|5.186901|7.470240|11.087142|12.402713|36.858105| |2.335400|2.753927|2.723533|3.104227|3.819268|3.960984|3.237505|6.929943|4.707050|6.992203|9.421480|8.918063|17.542363|0.500000| |2.459757|2.829631|2.638436|2.855442|3.505480|4.051175|3.468294|8.049041|5.314632|8.275790|11.073458|7.830325|12.251050|0.248440|36.858105| |2.662104|3.152296|2.928752|3.234538|4.182286|5.028067|4.028950|9.222631|7.850998|12.460922|17.912026|7.877033|8.079631|0.202140|12.373974|36.858105| |2.587815|2.881500|2.593812|2.690750|3.197338|3.825851|3.529457|8.729816|4.763318|7.625680|8.555517|6.160166|7.368392|0.152132|12.324771|7.516912|36.858105| |2.355606|2.552198|2.284596|2.337946|2.727857|3.247027|3.080493|7.856510|4.043191|7.081539|6.500862|4.292550|4.828751|0.113143|7.452665|6.045883|12.506106|36.858105| |1.998355|2.159164|1.983982|2.054890|2.370147|2.707055|2.533126|6.224914|3.299931|5.835492|5.308006|3.620335|4.351966|0.108615|6.467644|5.091580|7.688591|12.622630|53.358707| |1.886253|2.013693|1.848240|1.900860|2.169587|2.467775|2.339929|5.788221|2.970823|5.391065|4.585630|3.088908|3.558838|0.090979|4.913618|4.263292|5.674828|9.152078|25.686816|0.500000| |1.915417|2.055263|1.899515|1.961335|2.234297|2.516425|2.374818|5.786980|2.974621|5.152089|4.792408|3.441518|4.231863|0.105139|5.809855|4.353625|7.065832|9.199238|25.669426|0.328166|0.500000| |1.931681|2.128207|1.993856|2.112898|2.471360|2.767362|2.499531|5.947897|3.448116|6.096769|5.720399|3.837538|4.849931|0.129186|7.460082|5.982108|6.485289|7.590487|17.231139|0.254752|0.255628|36.858105| |2.054215|2.309020|2.190431|2.363655|2.806069|3.102197|2.723393|6.303563|3.866688|6.439637|6.983278|5.005740|7.454367|0.200300|12.397528|7.412509|7.587288|6.489259|10.472746|0.157715|0.196127|12.498042|36.858105| |2.383856|2.719404|2.631608|2.849289|3.304224|3.512811|3.115997|6.874165|3.849880|5.753999|7.026608|7.473545|12.491836|0.246503|7.284514|5.029322|6.225981|4.237630|5.362840|0.090564|0.114153|4.107866|5.836019|36.858105| |2.507157|2.799581|2.651540|2.779013|3.148118|3.424951|3.181069|7.190965|3.645924|5.491452|6.314294|6.383154|8.005322|0.163231|6.097219|4.401031|6.453531|4.350940|5.269940|0.089831|0.114486|3.745534|4.851931|15.788131|73.516695| |2.086236|2.357088|2.336086|2.550407|2.888711|2.950189|2.625939|5.723465|3.173724|4.881561|5.499429|5.347658|7.859465|0.214066|5.361569|4.048172|4.512992|3.434592|4.629744|0.080224|0.099919|3.668131|5.087020|14.235776|15.085736|53.358707| |1.907454|2.106590|2.094614|2.243691|2.456724|2.488438|2.285967|5.013748|2.600984|4.082929|4.271399|3.940757|4.998467|0.134967|3.928238|3.123121|3.622662|2.915106|3.977123|0.070704|0.087805|3.038799|3.867897|7.738822|11.995927|17.862041|36.858105| |1.775359|1.962671|1.995065|2.158817|2.322661|2.282311|2.090348|4.506815|2.339463|3.697015|3.738692|3.373142|3.995163|0.114775|3.181529|2.695335|2.885872|2.407069|3.294637|0.059876|0.071270|2.559193|3.159437|5.245091|8.177272|10.627962|12.518236|36.858105| |1.885000|2.101702|2.165857|2.363334|2.520645|2.431695|2.218593|4.707570|2.440762|3.811634|3.872561|3.569723|4.025635|0.115512|3.113174|2.706078|2.817917|2.331917|3.124479|0.056942|0.066622|2.420864|2.979272|5.146126|8.079577|9.582320|8.913330|17.547301|0.500000| |1.607023|1.743905|1.768739|1.882181|1.987223|1.958620|1.831128|3.982304|1.989953|3.194473|3.097437|2.699519|3.082934|0.086856|2.603200|2.243898|2.450626|2.108976|2.905006|0.053674|0.063321|2.212762|2.617415|3.879412|6.526784|6.839746|7.567108|12.527317|0.246412|36.858105| |1.677523|1.865403|1.902997|2.085280|2.270071|2.219269|2.002094|4.311277|2.318218|3.702714|3.719162|3.256771|3.956782|0.121320|3.208300|2.752907|2.795013|2.372667|3.325335|0.060587|0.071282|2.674118|3.329435|4.748326|7.023156|9.653248|8.153502|13.424837|0.258514|7.807272|73.516695| |1.579988|1.756502|1.817491|2.004537|2.153851|2.065037|1.862435|3.972537|2.129951|3.429365|3.336273|2.852696|3.287993|0.102040|2.726693|2.444755|2.383834|2.066739|2.885344|0.053373|0.060997|2.326277|2.810246|3.684318|5.615277|6.652681|5.247033|7.951091|0.202635|6.253138|24.655560|36.858105| |1.417150|1.557447|1.605732|1.752827|1.867746|1.801186|1.642722|3.532863|1.861281|3.044637|2.868841|2.382762|2.715498|0.082974|2.353896|2.130314|2.094742|1.861689|2.633130|0.049326|0.055835|2.114234|2.476330|2.991072|4.701998|5.132924|4.126058|5.619392|0.139567|5.402106|14.218154|13.713806|36.858105| |1.335837|1.465008|1.522420|1.664109|1.755431|1.676150|1.532260|3.280269|1.717990|2.829613|2.603526|2.128563|2.357457|0.071899|2.070703|1.920893|1.852288|1.665965|2.344253|0.044337|0.049256|1.878600|2.159265|2.523518|4.022764|4.138909|3.226254|4.149885|0.110490|4.091403|9.296780|7.945891|13.838762|36.858105| |1.377701|1.520340|1.599426|1.765187|1.850088|1.738115|1.580638|3.346673|1.762443|2.893056|2.648938|2.166338|2.342811|0.071868|2.035973|1.924933|1.811969|1.623610|2.255959|0.042688|0.046945|1.809122|2.081990|2.460198|3.915975|3.955665|2.990353|3.801170|0.107720|3.602221|8.150278|6.846602|7.919483|13.662565|36.858105| |1.525527|1.703408|1.807925|2.022619|2.126521|1.971214|1.773061|3.712554|1.985169|3.216769|3.003364|2.501087|2.681533|0.083228|2.263124|2.147558|1.989438|1.754311|2.408767|0.045235|0.049895|1.936967|2.269306|2.804789|4.397825|4.539007|3.344563|4.330048|0.129976|3.824998|9.231984|7.920086|6.874958|7.941533|13.753178|36.858105| |1.650818|1.854669|1.952874|2.188884|2.337142|2.185771|1.952269|4.094744|2.218794|3.547683|3.438637|2.950610|3.257298|0.102286|2.655047|2.457725|2.304102|1.990975|2.730779|0.050659|0.056885|2.203162|2.653275|3.505631|5.347165|5.989083|4.400620|6.126461|0.187802|4.845090|14.124316|13.829635|7.969655|6.901058|7.928654|13.692129|36.858105| |1.281433|1.406109|1.483415|1.630164|1.692469|1.586408|1.451786|3.075360|1.601128|2.651632|2.371258|1.908161|2.030300|0.061696|1.796789|1.722299|1.614473|1.464438|2.032727|0.038783|0.042136|1.622554|1.834595|2.103493|3.397076|3.287564|2.470805|3.009270|0.085498|2.926712|6.161180|4.618365|5.299327|8.206568|14.158713|7.869889|5.195686|73.516695| |1.292349|1.421241|1.514632|1.672515|1.719950|1.592592|1.456694|3.062422|1.591111|2.636798|2.329158|1.863848|1.941506|0.058849|1.718105|1.673101|1.545915|1.403679|1.930637|0.036921|0.039754|1.537270|1.730501|1.982697|3.217461|3.035017|2.243514|2.673452|0.077871|2.564900|5.306594|3.788350|3.985038|5.257689|8.011703|6.713783|4.506679|24.176890|36.858105| |3.392163|4.638153|5.308413|8.153985|14.315330|8.190134|5.341890|9.229202|6.757702|9.368180|8.274258|5.845549|4.246036|0.120754|3.648163|4.425181|3.138360|2.675382|3.254273|0.060552|0.062551|2.574654|2.981377|3.424481|5.548373|4.189054|2.568425|2.466864|0.074520|2.078576|4.391539|2.369250|2.036935|1.919696|2.043080|2.378639|2.615133|3.308060|1.897660|97.533100| |17.565983|8.844647|5.849656|4.278893|3.987596|4.588039|6.716120|15.357311|3.648750|5.915380|4.373427|3.214647|2.621260|0.065662|2.533400|2.672583|2.737777|2.477290|2.831575|0.054399|0.055780|1.980339|2.106493|2.498779|4.779931|2.947428|1.993550|1.835258|0.053966|1.666930|3.050868|1.602566|1.436580|1.346334|1.380027|1.524819|1.660646|2.273719|1.282368|7.049294|0.500000| |17.572225|8.851833|5.844238|4.275857|3.988106|4.595351|6.743484|15.380330|3.682086|6.314759|4.181567|2.904587|2.390586|0.061141|2.365213|2.592977|2.499591|2.334160|2.693946|0.052396|0.052322|1.906459|1.994004|2.213565|4.115499|2.646843|1.776795|1.651784|0.048294|1.500530|2.798976|1.484797|1.340523|1.266165|1.302311|1.433086|1.544344|2.161054|1.225009|7.046395|0.302482|0.500000| |17.599144|8.888919|7.194081|4.724234|3.977785|4.158755|5.598940|11.131740|3.228450|5.319081|3.825998|2.800437|2.303996|0.059374|2.198407|2.355111|2.286368|2.088539|2.456194|0.047468|0.048356|1.754769|1.867733|2.184263|4.066253|2.646741|1.799389|1.696698|0.050257|1.548233|2.846705|1.521045|1.369357|1.298545|1.344748|1.487179|1.596782|2.234603|1.273954|7.026176|0.301575|0.301565|0.500000| |6.928722|8.954336|17.727436|8.961709|5.701775|4.951356|5.712480|9.633063|3.561121|5.638124|4.220726|3.160633|2.525415|0.066654|2.311710|2.517201|2.286545|2.038556|2.440116|0.046680|0.048000|1.796459|1.959958|2.354688|4.240166|2.894765|1.942400|1.871497|0.056520|1.681153|3.163969|1.714116|1.525291|1.455901|1.533678|1.725598|1.844757|2.546152|1.469732|9.618013|0.151277|0.151030|0.220098|0.500000| |4.053375|5.594347|8.840316|17.753856|8.976559|5.639122|4.992812|8.332162|4.095267|6.249935|4.960644|3.764707|2.946496|0.080885|2.590631|2.890167|2.412916|2.111854|2.575516|0.048777|0.050453|1.962361|2.197796|2.652216|4.549641|3.318886|2.168695|2.131500|0.065330|1.865873|3.680617|2.022917|1.771405|1.698692|1.823504|2.101061|2.243538|3.010644|1.757413|16.656423|0.098883|0.098830|0.112017|0.214046|0.500000| |3.527094|4.349991|4.011475|4.334682|5.424970|6.460155|5.476269|11.533512|6.637395|8.529671|12.270323|17.611783|8.769445|0.175432|6.489972|6.089234|6.232077|4.278360|4.744758|0.083220|0.093644|3.493060|4.343151|7.196247|12.921092|6.785780|3.896897|3.282127|0.096960|2.683519|5.419890|2.662792|2.244896|2.007527|2.034656|2.329895|2.730855|3.202159|1.759995|11.293128|0.102862|0.088277|0.085740|0.093442|0.103385|0.500000| |3.114405|3.968553|4.040175|4.916834|6.622937|6.462959|4.769258|9.219020|6.576253|8.407064|12.267061|17.629590|8.768860|0.225884|5.705124|6.003987|4.585635|3.465166|4.149037|0.073888|0.081287|3.280124|4.184130|6.319215|9.446438|6.950884|3.845128|3.471004|0.105633|2.750204|5.996817|3.029953|2.493346|2.247484|2.331050|2.751014|3.249470|3.639928|2.020081|16.704695|0.086312|0.078612|0.078284|0.094143|0.122485|0.301097|0.500000| |2.411359|2.851037|2.730012|3.080199|3.952572|4.434835|3.522408|7.812985|6.450102|10.853601|12.343137|6.398866|6.916755|0.206585|8.749610|17.511792|5.500336|4.789654|6.098648|0.107422|0.108004|5.730491|7.104536|4.493277|6.775247|5.284240|3.002740|2.663644|0.074142|2.211553|4.983745|2.527821|2.208270|2.002442|2.015107|2.249294|2.558633|3.207348|1.754258|10.014349|0.066382|0.065424|0.060216|0.065877|0.078305|0.136147|0.153338|0.500000| |2.671751|3.100523|2.812743|3.023571|3.823381|4.745145|3.993493|9.632269|7.486247|14.189953|12.504665|5.813696|5.707219|0.143751|8.569607|17.655475|7.054690|6.781683|7.363162|0.130471|0.122317|6.007126|6.204684|4.079954|6.714039|4.580349|2.716448|2.363068|0.065639|2.015555|4.267789|2.155129|1.911604|1.739097|1.739052|1.916389|2.158567|2.796082|1.532025|8.754277|0.074432|0.073848|0.065145|0.067452|0.074649|0.139494|0.129658|0.303220|0.500000| |3.019972|3.383224|2.953399|3.011256|3.599609|4.518851|4.279901|10.988808|5.557225|8.581329|9.591953|6.812369|6.681289|0.137659|8.742192|7.066285|17.604506|9.008630|7.628778|0.127065|0.144082|4.873494|5.506040|5.673939|11.091415|5.572112|3.356233|2.732911|0.075834|2.336407|4.629329|2.255144|1.977461|1.765711|1.745689|1.927785|2.217387|2.779107|1.509961|7.632311|0.089929|0.080536|0.072632|0.071338|0.073413|0.212774|0.136856|0.140891|0.190403|0.500000| |2.432454|2.664027|2.425851|2.499227|2.890755|3.344598|3.151303|7.674596|3.901936|6.222837|6.749875|5.405464|6.805163|0.141814|8.762465|5.499293|17.610568|8.900664|9.372710|0.144118|0.205842|5.647989|6.747087|7.075290|14.565195|6.851766|4.151497|3.160840|0.084335|2.695697|5.311057|2.494523|2.190818|1.914828|1.853920|2.027284|2.368957|2.921152|1.561608|6.390179|0.072327|0.064669|0.060442|0.060235|0.063000|0.159030|0.116996|0.122797|0.140802|0.306396|0.500000| |2.429813|2.645360|2.350488|2.407128|2.837579|3.438058|3.246171|8.406931|4.452831|8.256994|6.831478|4.156243|4.407236|0.106702|6.637127|6.560375|8.696564|17.642535|12.428805|0.224395|0.181199|6.947921|5.707761|3.696737|6.587225|4.163448|2.596130|2.202823|0.059917|1.934014|3.899907|1.944222|1.757050|1.589419|1.561535|1.688542|1.896872|2.520060|1.367962|6.245509|0.070036|0.067872|0.059460|0.057934|0.060068|0.112693|0.094410|0.143610|0.238253|0.212711|0.172803|0.500000| |2.334756|2.466045|2.186862|2.195514|2.505946|2.970039|2.922596|7.606233|3.529306|6.199090|5.412712|3.702159|4.015683|0.094919|5.445675|4.607812|8.787820|17.628227|12.360599|0.222836|0.224477|5.579578|4.886904|3.759423|7.196559|4.213060|2.726484|2.258538|0.060791|2.016778|3.900523|1.919119|1.742426|1.564420|1.521839|1.635324|1.844995|2.451383|1.322504|5.437972|0.069176|0.064527|0.057551|0.054707|0.055136|0.106742|0.085007|0.105396|0.141425|0.212794|0.216980|0.301581|0.500000| |1.972469|2.182704|2.038994|2.166313|2.556297|2.887031|2.587672|6.178312|3.699711|6.812601|5.960783|3.749229|4.439738|0.120385|6.679184|6.519355|5.723523|6.964630|12.435727|0.223976|0.181076|17.623447|8.741925|3.617948|5.891530|4.393784|2.686785|2.321519|0.061960|2.015682|4.320712|2.159926|1.968166|1.773927|1.727501|1.853089|2.081958|2.776941|1.493135|6.006754|0.055633|0.054579|0.049605|0.050828|0.055707|0.093754|0.089778|0.179751|0.199626|0.128437|0.131668|0.209719|0.143344|0.500000| |1.741571|1.901815|1.799098|1.904184|2.192331|2.405433|2.191942|5.172253|2.906126|5.159187|4.682416|3.231805|4.032444|0.111266|5.445725|4.562879|4.878566|5.573179|12.358647|0.223176|0.223590|17.625773|8.758760|3.605398|5.859733|4.608786|2.895839|2.474957|0.064226|2.171687|4.667226|2.296299|2.123625|1.887370|1.798691|1.900400|2.146848|2.875710|1.522513|5.166294|0.049519|0.047789|0.044361|0.045474|0.049663|0.082500|0.079224|0.127473|0.126217|0.107509|0.127090|0.143200|0.126452|0.301181|0.500000| |1.949296|2.166474|2.066175|2.213336|2.572320|2.798361|2.505191|5.781546|3.328700|5.481327|5.840150|4.527423|6.882615|0.182280|8.804282|5.452987|6.775641|5.665992|9.405683|0.144437|0.206580|8.899945|17.516735|6.493991|9.557774|8.113413|4.572402|3.566623|0.090529|2.943993|6.654047|3.047556|2.685245|2.293807|2.173615|2.353246|2.789945|3.374612|1.769262|6.103141|0.055980|0.052238|0.049597|0.051856|0.057614|0.113630|0.107572|0.144386|0.130566|0.138733|0.196487|0.131627|0.127724|0.173091|0.215785|0.500000| |1.961017|2.221913|2.145454|2.354033|2.802689|3.013822|2.597384|5.876880|3.737433|6.264812|6.645247|4.722413|6.786962|0.215826|8.770789|6.906489|5.500412|4.871874|7.628331|0.127064|0.143933|8.992468|17.569096|5.186650|7.423472|6.663278|3.709061|3.166634|0.083237|2.600460|6.184763|2.988549|2.630510|2.302153|2.228197|2.434108|2.840518|3.481383|1.845332|6.916865|0.055209|0.052885|0.049900|0.053447|0.061541|0.109942|0.115695|0.217912|0.156607|0.122913|0.138242|0.128007|0.107570|0.213390|0.212344|0.304043|0.500000| |1.993676|2.268196|2.274764|2.524317|2.879778|2.890281|2.527148|5.454638|3.144097|4.876971|5.442950|5.092752|7.461930|0.244960|5.183614|4.092125|4.097443|3.229903|4.452046|0.077832|0.094297|3.691097|5.193093|9.373090|10.831098|26.060977|9.132802|7.408616|0.186854|4.741606|14.814269|5.688027|4.229026|3.369802|3.227784|3.754653|5.104992|4.694281|2.422071|7.121765|0.056779|0.051900|0.051798|0.057539|0.067768|0.124695|0.140777|0.114257|0.093419|0.102861|0.120736|0.081710|0.079824|0.091303|0.095904|0.163864|0.149829|0.500000| |1.766681|1.929155|1.902543|2.020898|2.210696|2.263415|2.096580|4.666138|2.398355|3.835388|3.903726|3.443367|4.404958|0.119502|3.746680|2.949733|3.521027|2.924287|4.125562|0.073566|0.093313|3.136166|3.908927|6.294380|10.213919|12.416692|17.550692|8.898517|0.174606|7.052696|12.851615|4.786035|4.043734|3.138298|2.824704|3.045788|3.866134|4.193909|2.119766|5.184986|0.051326|0.046143|0.046279|0.049175|0.054194|0.094344|0.091527|0.079133|0.072461|0.088438|0.113837|0.071611|0.076465|0.075660|0.084951|0.133912|0.103154|0.204254|0.500000| |2.008167|2.198852|2.171998|2.291761|2.479540|2.529481|2.367433|5.214009|2.595061|4.052538|4.204118|3.920891|4.688661|0.119939|3.735557|2.997761|3.637895|2.904893|3.853066|0.068810|0.085232|2.845548|3.522422|7.417097|13.747952|12.556014|17.649955|8.845364|0.215940|6.780067|10.301099|4.249116|3.472045|2.829551|2.670749|2.979523|3.772182|4.006378|2.077625|5.697218|0.058979|0.051594|0.052639|0.056123|0.061152|0.113228|0.105256|0.078317|0.073363|0.096212|0.118247|0.071527|0.076973|0.070459|0.074518|0.113006|0.091610|0.181390|0.301648|0.500000| |1.650767|1.777146|1.796181|1.889780|1.976579|1.956258|1.852473|4.039791|1.965389|3.148128|3.034889|2.655837|2.964555|0.081342|2.516198|2.172246|2.429875|2.087265|2.834928|0.052494|0.061927|2.118458|2.478982|3.778067|6.672532|6.280801|6.881800|8.845986|0.212574|17.554330|10.049962|4.733935|4.163871|3.378514|3.084570|3.295955|4.021025|4.600982|2.324726|4.580105|0.047911|0.042634|0.044277|0.047626|0.051862|0.075050|0.074739|0.058695|0.054573|0.065168|0.074899|0.053026|0.056080|0.053743|0.057337|0.076980|0.067331|0.115864|0.174478|0.201540|0.500000| |1.528846|1.658367|1.698529|1.813733|1.897870|1.848034|1.726810|3.730599|1.863975|3.006107|2.864966|2.464969|2.752025|0.078721|2.341090|2.066452|2.190048|1.908116|2.627100|0.048957|0.056678|2.013881|2.354126|3.310043|5.537100|5.650287|5.504343|8.826704|0.212970|17.596141|12.383765|6.755138|6.202039|4.785862|4.166252|4.323401|5.296170|5.938564|2.875346|4.491771|0.043778|0.039686|0.041181|0.045136|0.050471|0.067622|0.070841|0.057135|0.051788|0.058429|0.065766|0.049175|0.050679|0.051561|0.055102|0.072175|0.065872|0.113631|0.142796|0.139608|0.301836|0.500000| |1.518443|1.638309|1.648171|1.745766|1.852066|1.844294|1.729051|3.799350|1.897043|3.076082|2.952699|2.524618|2.931620|0.082582|2.552177|2.181582|2.417462|2.112266|2.963268|0.054930|0.065293|2.254575|2.637212|3.647970|6.162734|6.360829|6.881124|8.833597|0.173475|17.560489|12.550761|5.579738|5.291320|3.957188|3.351556|3.422284|4.193267|4.916959|2.399007|4.353835|0.043784|0.039658|0.040531|0.043478|0.047867|0.069462|0.070277|0.059852|0.054827|0.063162|0.074341|0.053540|0.056260|0.056560|0.062326|0.083727|0.072583|0.123594|0.211249|0.166326|0.300232|0.301100|0.500000| |1.367004|1.491911|1.524185|1.648896|1.759677|1.718046|1.577787|3.426468|1.787454|2.940776|2.757738|2.274032|2.623940|0.079093|2.320929|2.073650|2.089067|1.872588|2.680756|0.050328|0.057408|2.142044|2.485139|2.925340|4.652261|5.009729|4.151594|5.382377|0.126112|5.557918|13.044090|8.937642|17.730058|8.927948|5.632148|4.954061|5.670337|7.603467|3.327740|4.276097|0.038654|0.036038|0.036616|0.040214|0.045955|0.059926|0.064939|0.059384|0.052036|0.054333|0.061251|0.048783|0.048888|0.054888|0.060443|0.076054|0.072686|0.112278|0.119275|0.096655|0.117738|0.169950|0.166661|0.500000| |1.243031|1.353876|1.402168|1.522053|1.599514|1.534952|1.412697|3.040259|1.575026|2.615178|2.368473|1.912244|2.108563|0.063692|1.888136|1.757709|1.706357|1.553624|2.197599|0.041862|0.046228|1.753290|1.982485|2.246183|3.628068|3.614202|2.826974|3.493209|0.092151|3.577502|7.497827|5.640363|8.909883|17.741276|8.954544|5.664478|4.968587|13.509007|4.875644|3.909097|0.034807|0.032854|0.033620|0.037378|0.043106|0.050369|0.055597|0.050839|0.044626|0.045165|0.048993|0.041243|0.040721|0.046075|0.049303|0.058450|0.058489|0.080518|0.077990|0.069889|0.083977|0.114923|0.099218|0.213715|0.500000| |1.556311|1.745459|1.875921|2.116819|2.203862|2.009568|1.803121|3.738996|1.999141|3.237370|2.985420|2.470877|2.575589|0.079660|2.176216|2.105464|1.916501|1.693000|2.302516|0.043371|0.047350|1.846594|2.149071|2.640195|4.171570|4.139628|2.988672|3.710842|0.114454|3.287102|7.487019|5.658816|4.957034|5.634383|8.875297|17.764848|8.950243|12.469280|7.425933|5.587713|0.042935|0.040542|0.042345|0.049942|0.061947|0.063919|0.076644|0.061349|0.052333|0.052108|0.053766|0.045610|0.043869|0.049564|0.050014|0.061030|0.063966|0.093939|0.075170|0.075676|0.081459|0.101229|0.081688|0.107612|0.124203|0.500000| |1.816683|2.068102|2.194659|2.495130|2.680246|2.473660|2.182406|4.521941|2.488801|3.914420|3.889637|3.431392|3.722305|0.117825|2.917128|2.715396|2.503750|2.124994|2.868722|0.052867|0.059394|2.312228|2.828039|3.974385|5.959001|6.717242|4.670387|6.210728|0.211154|4.586280|12.832221|8.946496|5.657541|4.966177|5.647251|8.918156|17.711465|7.446168|3.904176|6.826186|0.050678|0.046886|0.048695|0.057191|0.071172|0.087386|0.108312|0.078195|0.065374|0.067568|0.071072|0.056329|0.054439|0.060927|0.061613|0.081647|0.083807|0.159402|0.109011|0.112856|0.110226|0.132191|0.108317|0.124535|0.107783|0.216975|0.500000| |1.334891|1.467699|1.573125|1.735761|1.768299|1.627782|1.494067|3.127147|1.608870|2.651670|2.348564|1.895650|1.953597|0.058737|1.714283|1.668136|1.551609|1.401263|1.912171|0.036510|0.039408|1.511605|1.705959|2.010236|3.282839|3.065793|2.282594|2.743242|0.081620|2.645485|5.290734|3.741630|3.796699|4.767859|7.043530|6.720359|4.572278|16.436912|17.561222|4.366405|0.036813|0.034989|0.036691|0.042591|0.050934|0.050067|0.057417|0.048221|0.042397|0.042359|0.043635|0.037886|0.036778|0.040758|0.041346|0.048478|0.050138|0.067238|0.059247|0.059348|0.067353|0.083135|0.067563|0.088190|0.120125|0.222785|0.112768|0.500000| |1.334925|1.477988|1.581004|1.762455|1.821968|1.676102|1.520150|3.182039|1.679155|2.784567|2.455763|1.953757|2.027789|0.062122|1.792664|1.763765|1.596810|1.449308|1.991787|0.038063|0.040782|1.598345|1.803652|2.036358|3.276797|3.100088|2.242018|2.632857|0.076955|2.459233|5.289757|3.731766|3.786234|4.755692|7.024709|6.710066|4.565217|16.435246|17.559856|4.581571|0.036631|0.035192|0.036487|0.042457|0.051642|0.050757|0.059220|0.051824|0.044739|0.043328|0.044478|0.039418|0.037739|0.043355|0.043872|0.050787|0.053898|0.069463|0.058626|0.057451|0.061967|0.075014|0.063982|0.087991|0.119887|0.223404|0.112785|0.298707|0.500000| 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