Version2.0 2020-03-04T20:39:24Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 16-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)CN(C[C@@H]1CCCO1)C(=O)CN2CC3=C(C2=O)[C@@H](NC(=O)N3C)c4ccccc4C(F)(F)F C34792164 RHF 6-31G(d) (6D,7F) CC(C)CN(C[C@@H]1CCCO1)C(=O)CN2CC3=C(C2=O)[C@@H](NC(=O)N3C)c4ccccc4C(F)(F)F C01[X(C25H31F3N4O4)] 195 C1 602 CC(CN(C(=O)CN1CC2=C(C1=O)[C@@H](NC(=O)N2C)c1ccccc1C(F)(F)F)C[C@@H]1CCCO1)C CC(CN(C(=O)CN1CC2=C(C1=O)[C@@H](NC(=O)N2C)c1ccccc1C(F)(F)F)C[C@@H]1CCCO1)C CC(C)CN(C[C@@H]1CCCO1)C(=O)CN2CC3=C([C@@H](NC(=O)N3C)c4ccccc4C(F)(F)F)C2=O InChIKey=XIDWDYATGPNKKU-AOMKIAJQSA-N InChI=1S/C25H31F3N4O4/c1-15(2)11-31(12-16-7-6-10-36-16)20(33)14-32-13-19-21(23(32)34)22(29-24(35)30(19)3)17-8-4-5-9-18(17)25(26,27)28/h4-5,8-9,15-16,22H,6-7,10-14H2,1-3H3,(H,29,35)/t16-,22-/m0/s1 InChI=1/C25H31F3N4O4/c1-15(2)11-31(12-16-7-6-10-36-16)20(33)14-32-13-19-21(23(32)34)22(29-24(35)30(19)3)17-8-4-5-9-18(17)25(26,27)28/h4-5,8-9,15-16,22H,6-7,10-14H2,1-3H3,(H,29,35)/t16-,22-/m0/s1/f/h29H CC(C)CN(C[C@@H]1CCCO1)C(=O)CN2CC3=C(C2=O)[C@@H](NC(=O)N3C)c4ccccc4C(F)(F)F C01[X(C25H31F3N4O4)] 195 C01 602 CC(CN(C(=O)CN1CC2=C(C1=O)[C@@H](NC(=O)N2C)c1ccccc1C(F)(F)F)C[C@@H]1CCCO1)C CC(CN(C(=O)CN1CC2=C(C1=O)[C@@H](NC(=O)N2C)c1ccccc1C(F)(F)F)C[C@@H]1CCCO1)C CC(C)CN(C[C@@H]1CCCO1)C(=O)CN2CC3=C([C@@H](NC(=O)N3C)c4ccccc4C(F)(F)F)C2=O InChIKey=XIDWDYATGPNKKU-AOMKIAJQSA-N InChI=1S/C25H31F3N4O4/c1-15(2)11-31(12-16-7-6-10-36-16)20(33)14-32-13-19-21(23(32)34)22(29-24(35)30(19)3)17-8-4-5-9-18(17)25(26,27)28/h4-5,8-9,15-16,22H,6-7,10-14H2,1-3H3,(H,29,35)/t16-,22-/m0/s1 InChI=1/C25H31F3N4O4/c1-15(2)11-31(12-16-7-6-10-36-16)20(33)14-32-13-19-21(23(32)34)22(29-24(35)30(19)3)17-8-4-5-9-18(17)25(26,27)28/h4-5,8-9,15-16,22H,6-7,10-14H2,1-3H3,(H,29,35)/t16-,22-/m0/s1/f/h29H 4132.6769769314 -1780.3897589 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3225.3790 3230.1117 3233.6898 3236.6485 3240.3151 3248.1891 3252.8758 3257.5218 3266.8450 3270.4520 3275.7894 3277.6157 3281.4892 3283.5922 3292.5954 3292.7382 3306.4896 3343.3567 3365.3232 3367.2878 3385.2322 3387.7049 3397.0790 3419.1355 3876.7503 5.3146 5.4767 6.3034 6.0712 4.3781 3.7903 3.8955 3.6431 2.0083 2.5308 4.1400 7.2581 3.4023 3.6022 5.1925 4.7072 6.3601 4.9705 9.5500 3.6744 4.6895 3.3629 3.2936 4.2838 1.3623 1.9581 2.7665 4.1480 2.2839 2.2082 3.0438 2.4827 3.6343 5.1101 3.8216 3.5751 3.0472 6.4613 4.6619 3.9214 2.6809 4.7235 2.9780 7.5009 2.9630 2.6428 5.7696 5.2556 2.7626 2.3997 1.8388 4.1692 4.2008 4.3295 4.6276 3.8108 3.0415 4.3206 5.2863 6.1433 4.4229 4.7051 6.2930 7.2988 8.2807 10.2771 4.0770 1.5502 2.7327 4.4320 2.8968 4.9821 5.0658 1.5609 4.7971 2.1409 1.5055 2.4265 1.4715 1.6024 1.5859 2.3498 1.5486 1.9305 2.0078 2.9767 2.4431 1.4108 4.0028 1.8263 1.7748 1.3470 5.0000 2.2143 2.8692 2.8063 2.6921 2.0458 2.1856 2.1273 1.4685 1.7791 2.5794 2.3436 2.3304 1.8115 2.3563 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665.42 678.23 712.04 735.81 757.16 814.46 842.93 851.83 898.78 907.67 918.25 934.80 946.73 956.34 986.25 1015.45 1035.20 1046.77 1088.03 1113.04 1142.98 1187.50 1216.50 1221.11 1242.39 1249.60 1253.77 1272.94 1291.99 1304.75 1313.15 1342.83 1365.44 1378.67 1417.02 1427.09 1447.19 1455.25 1469.49 1489.34 1507.89 1510.47 1526.43 1553.45 1566.01 1575.52 1594.67 1614.75 1626.54 1627.58 1641.22 1666.64 1678.76 1746.73 1753.41 1759.56 1771.63 1789.57 1817.50 1820.81 1828.52 1835.98 1850.37 1880.90 1885.88 1898.47 1899.88 1908.44 1916.18 1917.07 1926.88 1936.45 1975.83 1978.42 1988.59 1993.65 2028.29 2045.07 2075.32 2087.46 2109.71 2112.65 2116.82 2118.65 2140.14 2151.40 2161.52 2183.17 2192.30 2202.28 2227.76 2235.17 2240.87 2245.36 2259.83 2263.53 2267.62 2295.32 2321.71 2327.30 2330.16 2341.68 2350.19 2351.58 2352.61 2359.41 2363.35 2365.58 2373.58 2379.37 2380.24 2386.24 2391.04 2405.84 2406.64 2426.99 2566.22 2613.73 2723.74 2747.85 2806.96 2826.69 4589.77 4597.85 4625.70 4628.43 4632.98 4636.43 4640.60 4647.41 4652.56 4656.82 4662.09 4673.42 4680.16 4686.85 4700.26 4705.45 4713.13 4715.76 4721.33 4724.36 4737.31 4737.52 4757.30 4810.34 4841.95 4844.78 4870.59 4874.15 4887.64 4919.37 5577.78 0.592268 0.624848 0.625792 0.521996 -1779.797491 -1779.764911 -1779.763967 -1779.867763 3.481335D-04 MUNgauss RevisionA2.0 retrievium 04-Mar-2020 DUDE CC(C)CN(C[C@@H]1CCCO1)C(=O)CN2CC3=C(C2=O)[C@@H](NC(=O)N3C)c4ccccc4C(F)(F)F C34792164 RHF 6-31G(d) (6D,10F) C1 508.229740 |X|Y|Z| 68.318332 41.699920 124.364145 70.760228 24 6 7 8 19 4 1 |36.858105| |12.437426|36.858105| |7.551141|12.448456|36.858105| |7.605929|12.386256|7.474057|36.858105| |4.963555|7.538615|6.206006|13.052428|53.358707| |3.978606|5.436755|5.446991|7.616584|17.836838|36.858105| |3.398096|4.166557|4.006790|5.861121|10.430370|12.415921|36.858105| |3.664231|4.307913|4.062102|6.198145|9.199861|8.853738|17.564384|0.500000| |2.737700|3.238212|3.295864|4.062464|6.784891|7.493556|12.444094|0.242583|36.858105| |2.433115|2.877625|2.873861|3.530078|6.113915|6.020067|8.008032|0.160250|12.435605|36.858105| |2.553298|3.002303|2.840698|3.836356|6.684910|5.816813|8.160206|0.168204|7.983171|12.437605|36.858105| |3.101897|3.709492|3.382166|5.177251|9.220804|7.843998|13.549948|0.263217|8.162192|8.066294|13.483255|73.516695| |4.114462|5.736939|4.756235|7.670506|19.153728|7.939978|5.826141|0.138492|4.252421|4.289877|4.957842|11.041901|36.858105| |3.304057|4.353461|3.964498|5.301868|11.525164|7.051247|5.450844|0.122918|4.358667|4.804190|5.461139|10.681486|15.801129|73.516695| |4.241426|5.440723|4.142795|6.583657|10.476483|5.018659|4.236144|0.109388|3.266319|3.301815|3.887419|8.344726|12.432887|14.317940|36.858105| |3.389160|4.123063|3.408699|4.478176|7.047780|3.915829|3.383839|0.086532|2.793598|2.931880|3.383357|6.677452|7.718716|12.441566|13.291091|53.358707| |2.732293|3.208393|2.782467|3.554923|5.679297|3.447847|3.143591|0.079343|2.691790|2.950622|3.478667|6.461499|5.881203|11.167478|7.509356|17.943273|36.858105| |2.434449|2.820649|2.534686|2.959879|4.616471|2.916244|2.626449|0.066710|2.330880|2.548382|2.857662|5.173640|4.446922|8.660816|5.199009|11.346633|12.655996|36.858105| |2.625853|3.069672|2.769160|3.077861|4.714002|2.929678|2.554449|0.065425|2.256470|2.404835|2.625102|4.858192|4.453033|8.316598|5.247316|11.403249|8.162244|14.359766|36.858105| |3.291039|4.000457|3.445738|3.959540|6.047689|3.503956|2.947960|0.075842|2.510084|2.607902|2.866809|5.540272|5.962342|10.124635|7.831459|18.881340|8.156311|8.379765|12.980946|36.858105| |3.749209|4.638276|3.998538|4.211636|6.138284|3.526959|2.886561|0.075337|2.454027|2.479322|2.657632|5.218686|5.549420|8.922176|6.784168|11.349260|5.468012|5.548682|7.916216|15.877687|73.516695| |2.317047|2.648332|2.475399|2.577606|3.858367|2.489521|2.184137|0.056390|1.978707|2.096882|2.227026|4.065776|3.418964|6.397546|3.790117|6.952848|5.050018|7.680299|12.756643|7.158778|10.769366|36.858105| |2.348702|2.722203|2.612663|2.607998|3.938240|2.574687|2.219454|0.057037|2.025349|2.137490|2.225952|4.057783|3.438474|6.506418|3.633654|6.314321|4.413662|6.027278|9.071079|6.536027|10.887791|17.657652|0.500000| |1.999350|2.256122|2.131234|2.247314|3.384826|2.247373|2.021662|0.052027|1.867147|2.013791|2.138116|3.807205|2.968049|5.710102|3.201603|5.669836|4.592923|7.186144|8.043297|5.018278|7.534870|13.030856|0.255539|53.358707| |1.904269|2.141207|2.007972|2.189893|3.327520|2.227641|2.046806|0.052454|1.899407|2.084378|2.246939|3.935015|2.943024|5.759102|3.169155|5.606468|5.024121|8.027808|6.818892|4.501292|6.546410|7.456778|0.163549|19.137467|36.858105| |1.702216|1.892079|1.791614|1.939439|2.925809|1.996177|1.862325|0.047891|1.754940|1.933197|2.068338|3.575181|2.528087|4.938022|2.673206|4.503008|3.971055|5.478101|4.769436|3.508957|5.317653|5.250374|0.125300|11.591176|15.867852|73.516695| |2.072969|2.351398|2.160289|2.465633|3.800796|2.501932|2.313346|0.058924|2.112783|2.341480|2.598426|4.559471|3.481115|6.878894|3.846264|7.172706|7.487450|13.917050|7.980243|5.289778|7.179879|6.517755|0.144436|11.099855|13.683988|14.963216|53.358707| |1.914648|2.148197|1.975875|2.305296|3.553577|2.389340|2.284153|0.058144|2.112074|2.384825|2.694948|4.606979|3.197926|6.355555|3.455266|5.957554|6.378877|7.723446|5.135138|4.043236|5.751028|4.352520|0.104174|7.061004|7.752944|12.348611|17.826777|36.858105| |2.266667|2.506201|2.324799|2.382471|3.424286|2.201758|1.952349|0.051333|1.766017|1.838164|1.950950|3.605871|2.925000|5.243706|3.333047|5.788312|4.025071|5.336810|7.492998|5.693729|9.594843|12.402450|0.246754|10.527714|5.342116|7.529614|6.475699|3.518323|36.858105| |2.268555|2.451493|2.218204|2.354655|3.318320|2.111611|1.904039|0.050555|1.709049|1.772331|1.910092|3.556824|2.825081|4.954471|3.355619|5.820586|4.078158|5.144764|6.472229|5.305155|8.694383|7.540076|0.156892|8.026958|4.808907|6.974427|6.262352|3.532337|13.732186|36.858105| |2.134692|2.242040|2.037424|2.128669|2.931414|1.882984|1.714124|0.046033|1.546279|1.587296|1.701151|3.177019|2.422693|4.195699|2.842368|4.630294|3.219241|3.771877|4.433001|4.001423|6.959936|4.993170|0.116490|5.809902|3.660926|5.670007|4.761480|2.876343|7.876784|13.763776|36.858105| |2.018349|2.108253|1.957111|1.969547|2.701923|1.759192|1.595285|0.042921|1.452187|1.482618|1.566636|2.917617|2.192308|3.810846|2.493889|3.937965|2.718560|3.149657|3.718600|3.425906|6.224362|4.393070|0.109818|5.169099|3.188885|5.068975|4.033987|2.475535|6.800798|7.952638|13.787984|36.858105| |2.014564|2.139648|2.026305|1.982673|2.753592|1.807373|1.620882|0.043330|1.484462|1.518242|1.586528|2.939942|2.234070|3.930809|2.480350|3.921295|2.698381|3.187898|3.880111|3.518477|6.521242|4.955422|0.130468|5.687263|3.329402|5.269654|4.085229|2.468123|7.875130|6.919336|7.980571|13.774078|36.858105| |2.125078|2.318512|2.203146|2.160805|3.066046|2.006328|1.778446|0.047033|1.626608|1.677713|1.751890|3.232884|2.537171|4.533065|2.798813|4.566957|3.146389|3.894774|5.034012|4.306112|7.873485|7.401267|0.197071|7.709747|4.122483|6.267574|4.919865|2.846515|13.621134|7.980849|6.884924|7.917733|13.732215|36.858105| |2.030368|2.241140|2.197042|2.080040|2.987708|1.995838|1.755735|0.046168|1.627016|1.680083|1.723586|3.152964|2.443569|4.442540|2.583920|4.107823|2.848807|3.474103|4.374031|3.819700|7.120204|6.333082|0.205270|7.095110|3.804809|5.943342|4.464778|2.632056|7.516747|5.030422|4.456809|5.054100|7.666335|12.630153|36.858105| |1.864441|2.021337|2.003325|1.865776|2.643868|1.786943|1.585775|0.042003|1.480982|1.518754|1.547651|2.829117|2.117020|3.820814|2.221065|3.426771|2.383747|2.805051|3.366216|3.060779|5.763728|4.416488|0.136168|5.336480|3.076109|5.001392|3.665784|2.243896|5.221154|4.024089|3.886673|4.706979|7.144404|8.100007|14.416747|97.533100| |2.249447|2.531732|2.525272|2.307697|3.334068|2.223290|1.915743|0.050192|1.768767|1.813868|1.843808|3.395803|2.713241|4.922888|2.812050|4.400525|2.952783|3.506452|4.522074|4.200180|8.272126|6.077283|0.224136|6.372103|3.533681|5.445418|4.333362|2.568552|6.265231|4.401919|3.841080|4.161829|5.640869|8.073223|14.398042|20.181401|97.533100| |1.872297|2.080138|2.048399|1.973967|2.885267|1.955778|1.734578|0.045257|1.625335|1.702274|1.741754|3.136930|2.380120|4.435842|2.475684|3.968868|2.867313|3.593398|4.342636|3.589958|6.363145|6.498376|0.212625|8.498725|4.393938|7.005761|4.848098|2.842924|6.471645|4.490553|3.864709|4.133236|5.542858|8.101337|14.291367|20.155841|20.136500|97.533100| |17.560601|8.783261|6.918221|5.507178|5.550754|3.401078|2.908177|0.085493|2.426778|2.185626|2.263360|4.747863|3.542867|5.241495|3.677306|4.218131|2.520692|2.308598|2.529999|3.127621|6.489792|2.285039|0.064786|2.669691|1.846373|2.940865|2.695437|1.814887|2.274708|2.266053|2.160962|2.074144|2.078579|2.170613|2.080747|4.340681|5.211306|4.264495|0.500000| |17.534179|8.738552|5.478159|6.935318|6.322377|3.645656|3.233548|0.096936|2.595655|2.348028|2.525444|5.463466|4.053914|5.750864|4.491411|4.846166|2.856586|2.511866|2.686650|3.376129|6.700085|2.343728|0.064851|2.756454|1.941450|3.080576|2.901677|1.975856|2.316376|2.368725|2.239397|2.088448|2.049908|2.146840|2.013970|4.150393|4.946182|4.178271|0.302019|0.500000| |17.515964|8.754614|6.804123|6.870161|6.225072|3.915689|3.468724|0.107742|2.815035|2.439767|2.533466|5.494271|3.685415|5.385803|3.653860|4.017322|2.460373|2.191987|2.324164|2.830392|5.573611|2.068708|0.058308|2.473043|1.746169|2.802220|2.581650|1.776645|2.014782|2.014922|1.905473|1.809952|1.807690|1.899715|1.830724|3.813444|4.534336|3.837118|0.301781|0.301322|0.500000| |8.909864|17.542613|8.968524|8.883856|9.427053|4.846024|3.727280|0.103139|2.963151|2.739300|2.888582|6.177503|6.154830|8.260201|6.363370|6.687324|3.615147|3.210647|3.614078|4.981658|11.021529|3.074970|0.087853|3.461792|2.377092|3.680975|3.555355|2.332381|2.914894|2.836330|2.560579|2.392620|2.435620|2.667937|2.550567|5.100335|6.553505|5.255095|0.213304|0.212513|0.173340|0.500000| |5.483019|8.756419|17.577492|6.763412|9.323581|6.349115|4.299466|0.114878|3.587407|3.169200|3.065081|6.377305|5.316449|8.145640|4.297988|4.901368|2.957861|2.711780|2.970124|3.682593|7.543009|2.650529|0.078981|3.104319|2.143636|3.387940|3.136220|2.096233|2.427662|2.274546|2.058899|1.977596|2.072646|2.292439|2.321241|4.716370|6.084517|4.918273|0.141335|0.122425|0.139035|0.214707|0.500000| |6.932960|8.809770|17.555584|5.461545|6.390929|4.195665|3.265285|0.091768|2.792309|2.490303|2.457865|5.057664|3.934118|6.034228|3.616087|4.242891|2.562129|2.395849|2.660554|3.264012|6.909366|2.439384|0.072052|2.841412|1.942141|3.088525|2.800829|1.868068|2.335810|2.217512|2.061414|2.009085|2.093172|2.256304|2.264017|4.694796|5.905761|4.682465|0.208948|0.141415|0.169436|0.215008|0.302635|0.500000| |6.809549|8.753905|17.508609|6.757282|7.534634|5.379995|4.156927|0.121675|3.467716|2.908089|2.825476|6.004784|4.144191|6.289893|3.584463|4.033104|2.496957|2.266625|2.425478|2.930231|5.835325|2.183843|0.063608|2.611115|1.828231|2.932005|2.674849|1.826649|2.056810|1.977491|1.832178|1.763426|1.816526|1.957326|1.955934|4.055071|4.986640|4.143618|0.169500|0.139034|0.200774|0.173866|0.300401|0.301714|0.500000| |6.901435|8.858912|6.877090|17.577111|12.597731|7.609535|6.517949|0.216877|4.448146|3.627034|3.846384|9.367099|5.776241|7.893446|4.911790|4.922630|3.031932|2.567440|2.634610|3.242778|6.060746|2.257899|0.063617|2.730523|1.967907|3.141107|2.988033|2.086581|2.099803|2.076757|1.900783|1.774063|1.785736|1.928822|1.872302|3.824194|4.645127|4.022292|0.140865|0.169604|0.204626|0.174380|0.168652|0.140646|0.203390|0.500000| |7.162049|8.817034|5.477175|17.582915|12.376217|5.811244|5.125321|0.153108|3.637531|3.268634|3.718725|8.928887|7.062811|8.735048|7.362405|6.490166|3.761873|3.047394|3.120542|4.020588|7.386809|2.576618|0.070904|3.067940|2.217379|3.487664|3.441591|2.381963|2.409534|2.437032|2.209941|2.016453|1.997799|2.160234|2.041435|4.117324|5.014968|4.355542|0.144153|0.215913|0.176555|0.210078|0.138404|0.123067|0.140120|0.306722|0.500000| |3.415160|4.572842|4.762503|5.678292|12.602910|17.677540|8.807207|0.173981|7.116042|6.643078|5.933089|12.083512|7.681449|14.758814|4.754244|5.391741|3.584518|3.091783|3.096220|3.620093|6.383045|2.642187|0.076896|3.269260|2.382227|3.790454|3.628696|2.535506|2.285018|2.156149|1.903784|1.783254|1.851053|2.080226|2.096529|4.196772|5.285153|4.678067|0.084019|0.087694|0.091801|0.120587|0.163056|0.106987|0.126560|0.149954|0.128772|0.500000| |4.221772|5.753009|6.534677|7.234042|12.478281|17.576706|8.877993|0.219849|6.603194|4.966791|4.541688|10.147941|5.889541|9.336492|4.198768|4.596878|2.957522|2.583753|2.646911|3.145377|5.816580|2.308160|0.066936|2.827593|2.034883|3.263119|3.051205|2.128749|2.075242|1.984099|1.791079|1.693030|1.745896|1.922917|1.928396|3.926339|4.864259|4.220600|0.101004|0.102911|0.118974|0.134698|0.213634|0.134287|0.194285|0.222459|0.146978|0.303008|0.500000| |2.710995|3.222455|3.446973|3.860546|6.333312|7.160786|8.673779|0.192445|17.566567|8.658903|5.701210|10.357476|3.917883|7.160636|3.021126|3.567184|2.497141|2.213130|2.177815|2.418714|4.274195|1.938243|0.055755|2.480817|1.833774|3.016673|2.736232|1.985375|1.733483|1.662691|1.508974|1.429355|1.471444|1.612818|1.630084|3.352893|4.017580|3.659151|0.067626|0.070047|0.077755|0.081519|0.106154|0.081345|0.102421|0.117774|0.093531|0.198938|0.199695|0.500000| |2.550944|2.908288|2.930575|3.600176|5.608747|5.541026|8.829773|0.223285|17.555432|8.798681|6.751684|12.157342|3.565823|6.366799|2.890554|3.391969|2.420015|2.105625|2.032012|2.241196|3.898330|1.795956|0.050743|2.321292|1.741190|2.882780|2.626301|1.947519|1.622121|1.582690|1.444410|1.358048|1.380772|1.500006|1.494786|3.082430|3.627479|3.356892|0.062985|0.067800|0.074020|0.073619|0.086033|0.070077|0.086921|0.111971|0.092180|0.141956|0.143957|0.301626|0.500000| |2.432453|2.933025|2.983604|3.503771|6.279251|6.205300|6.742101|0.136819|8.787534|17.576641|8.803691|11.630495|4.558649|9.688592|3.407965|4.208692|3.114353|2.734857|2.595521|2.797797|4.723437|2.269007|0.065003|2.964712|2.243475|3.682588|3.412465|2.520274|1.958652|1.862855|1.655262|1.550353|1.601815|1.787656|1.807886|3.656679|4.425643|4.145637|0.061280|0.064710|0.066830|0.078831|0.094026|0.072084|0.082355|0.097199|0.088684|0.218594|0.141600|0.217612|0.174019|0.500000| |2.147973|2.479182|2.490449|2.954224|4.872330|4.518836|5.721705|0.128165|8.678734|17.582126|8.706315|10.426496|3.467878|6.844124|2.806383|3.477338|2.613201|2.302059|2.164124|2.301253|3.890449|1.916994|0.054182|2.540433|1.943087|3.247546|2.940710|2.230058|1.691305|1.633692|1.472500|1.380518|1.412745|1.553250|1.559783|3.193988|3.760494|3.575305|0.054200|0.057828|0.060139|0.065848|0.075377|0.061072|0.070418|0.084756|0.077184|0.135928|0.110170|0.193623|0.218469|0.302227|0.500000| |2.479420|2.935035|2.752017|3.668378|6.517459|5.249974|6.191051|0.133661|5.805927|8.706238|17.612158|16.598262|5.337932|11.367417|4.217843|5.185308|4.101235|3.304810|2.951683|3.170996|5.082953|2.464203|0.067973|3.249421|2.547703|4.145550|4.093735|3.162648|2.119591|2.069419|1.819825|1.663980|1.687102|1.880175|1.845047|3.693711|4.424616|4.229475|0.061570|0.068634|0.067081|0.080643|0.083212|0.066848|0.074311|0.098056|0.100061|0.157550|0.113816|0.128789|0.137207|0.223864|0.189530|0.500000| |2.334253|2.659438|2.505632|3.336595|5.432238|4.520525|6.274758|0.146756|6.479658|8.743000|17.550633|16.652406|4.004595|7.571235|3.370814|4.061756|3.113428|2.585923|2.361784|2.542264|4.194627|2.026675|0.055841|2.676776|2.082197|3.449090|3.262826|2.534471|1.798688|1.778393|1.598257|1.471827|1.481131|1.621053|1.588267|3.230840|3.785936|3.614541|0.057754|0.064810|0.064934|0.070950|0.073629|0.061068|0.069894|0.094436|0.092203|0.124260|0.104251|0.133187|0.177030|0.175443|0.221550|0.300582|0.500000| |3.951338|4.710476|3.617610|6.063463|9.022457|4.642250|4.290734|0.113296|3.276113|3.320818|4.103278|9.013883|8.971312|11.666642|17.538923|12.545682|6.963868|4.645001|4.394418|5.763196|8.906914|3.287572|0.086276|3.934799|2.944962|4.503452|4.918496|3.411932|2.955238|3.058562|2.644339|2.308342|2.259331|2.501017|2.298532|4.509521|5.515697|4.997498|0.094003|0.120257|0.097595|0.141985|0.101744|0.088030|0.090560|0.133323|0.209089|0.118992|0.107592|0.082092|0.082219|0.092147|0.078958|0.122861|0.101352|0.500000| |5.255770|6.776953|4.685395|7.355280|9.670589|4.619863|3.844111|0.103238|2.991419|2.923919|3.321426|7.151286|8.730583|10.610555|17.708231|12.751286|5.648673|4.433521|4.789655|7.368521|13.375799|3.637664|0.097810|4.087033|2.892352|4.371378|4.595496|3.001165|3.351983|3.404867|2.947172|2.604481|2.576443|2.864380|2.622616|5.111763|6.474797|5.518674|0.125162|0.159067|0.118655|0.242489|0.128861|0.114858|0.109234|0.145169|0.236418|0.118203|0.113748|0.078389|0.074499|0.083384|0.069932|0.096784|0.081553|0.303189|0.500000| |2.638872|3.141822|2.783933|3.593296|6.050919|3.807067|3.516725|0.086235|3.032077|3.449574|4.166216|7.463032|6.416631|13.832101|6.868625|12.349315|17.605935|8.864899|6.262859|6.308618|8.297099|4.329670|0.110754|5.594619|4.583052|6.706761|8.928850|6.275994|3.430482|3.374462|2.747999|2.388868|2.404525|2.791005|2.615181|4.982679|6.166499|6.016368|0.067105|0.075463|0.067081|0.095660|0.083560|0.070219|0.070226|0.086445|0.103350|0.112905|0.088332|0.077143|0.074749|0.102314|0.083955|0.144227|0.101263|0.182054|0.140099|0.500000| |2.598269|2.948358|2.531918|3.290361|5.030685|3.090480|2.927190|0.075379|2.514263|2.737987|3.284788|6.114293|4.872184|8.778047|6.400785|12.337964|17.535619|8.825864|6.164967|6.111366|8.008557|4.266460|0.102546|5.481618|4.526546|6.635970|9.001023|6.390287|3.651077|3.907695|3.172626|2.638812|2.551814|2.889788|2.576428|4.940378|5.890481|5.811614|0.066474|0.076911|0.065513|0.090671|0.073231|0.065065|0.064028|0.079283|0.099752|0.087109|0.074448|0.064259|0.063985|0.078312|0.068302|0.106002|0.084240|0.188933|0.141129|0.299492|0.500000| |1.846949|2.063479|1.975647|2.038084|3.040230|2.047798|1.850518|0.047835|1.728178|1.856266|1.946713|3.452226|2.603283|4.980049|2.762600|4.684440|3.705518|5.227597|5.783646|4.078932|6.462960|9.018721|0.216131|26.039424|9.695090|14.255617|8.099911|4.312492|6.909562|5.222349|4.051821|3.788128|4.309571|5.810924|5.693402|9.731587|10.773281|17.277421|0.050723|0.051734|0.046889|0.064060|0.058589|0.054223|0.049690|0.051051|0.056513|0.060744|0.053159|0.047162|0.044058|0.055712|0.048180|0.059792|0.050035|0.069931|0.073029|0.094597|0.092627|0.500000| |1.734750|1.925693|1.792242|2.043543|3.111075|2.123980|2.040704|0.052270|1.916235|2.155353|2.390215|4.059472|2.723773|5.363604|2.899772|4.830774|4.717514|5.727246|4.285109|3.402146|5.019467|3.947899|0.095687|6.765944|7.665470|14.932293|12.593267|17.715619|3.289027|3.287813|2.738740|2.390521|2.389108|2.728224|2.545759|4.942878|5.492212|6.299349|0.046024|0.049569|0.044953|0.057740|0.052682|0.047440|0.046282|0.051923|0.058353|0.062582|0.053243|0.050400|0.049446|0.063181|0.056753|0.076630|0.063135|0.079527|0.071705|0.129482|0.132046|0.120785|0.500000| |1.934547|2.194537|2.033337|2.393682|3.775005|2.582293|2.488623|0.062429|2.321738|2.689013|3.061421|5.089062|3.420300|7.059142|3.537749|5.894499|6.332526|6.776859|4.688289|3.895771|5.598017|3.926042|0.098287|6.119375|6.126695|9.984923|12.330736|17.570867|3.140731|3.083265|2.550991|2.239109|2.258027|2.602699|2.467852|4.763577|5.536373|5.995224|0.050593|0.055061|0.050173|0.065530|0.060461|0.052902|0.052463|0.060478|0.068111|0.077177|0.063154|0.060230|0.059095|0.079545|0.069855|0.102683|0.079470|0.097340|0.083688|0.198564|0.167706|0.106086|0.300775|0.500000| |1.945111|2.157036|1.953686|2.334282|3.541870|2.352882|2.280389|0.058660|2.084621|2.330495|2.686581|4.657444|3.171212|6.103385|3.549023|6.049254|6.543301|6.900552|4.724569|3.927116|5.601875|3.909193|0.093116|5.962207|5.907159|9.498523|12.387668|17.589424|3.330994|3.502185|2.898132|2.453459|2.389951|2.696423|2.445421|4.742023|5.367587|5.801135|0.050976|0.056430|0.050154|0.064863|0.056903|0.051205|0.050328|0.058701|0.068199|0.068108|0.058178|0.053989|0.053843|0.067202|0.060497|0.086854|0.071115|0.100700|0.085645|0.170076|0.210564|0.102883|0.300796|0.299575|0.500000| |2.322703|2.519428|2.241538|2.477181|3.512995|2.214182|2.013729|0.053364|1.794203|1.872903|2.050996|3.822919|3.049120|5.340928|3.739838|6.766032|4.909223|6.246338|7.302579|5.838433|8.826123|7.061953|0.143588|7.972159|5.237261|7.414650|7.393968|4.119951|8.950652|17.743775|8.959267|5.664537|4.978149|5.665725|4.090236|7.514114|8.444559|8.642534|0.063433|0.068131|0.057375|0.080704|0.063817|0.061328|0.055690|0.060405|0.072268|0.062609|0.057085|0.048033|0.046163|0.054442|0.047835|0.062233|0.053125|0.096068|0.103129|0.107999|0.134637|0.136350|0.103658|0.097412|0.116834|0.500000| |2.085675|2.156106|1.940299|2.066019|2.815023|1.807654|1.665329|0.045006|1.499635|1.536096|1.657591|3.103661|2.311170|3.970381|2.738754|4.380513|3.075236|3.470190|3.878854|3.605674|6.208361|4.089125|0.096737|4.961661|3.300236|5.213280|4.421886|2.764899|5.626888|8.933821|17.718773|8.919079|5.660890|4.958365|3.561105|7.207050|7.132368|7.173780|0.058410|0.061533|0.051946|0.067694|0.053985|0.054301|0.048849|0.051502|0.060314|0.050360|0.047728|0.040465|0.039144|0.044143|0.039682|0.049096|0.043573|0.072336|0.079004|0.072963|0.086802|0.095695|0.073241|0.067995|0.079267|0.216704|0.500000| |1.902412|1.955321|1.821103|1.824267|2.477153|1.623645|1.483398|0.040153|1.355188|1.377043|1.451786|2.704999|1.982300|3.431068|2.239376|3.450743|2.389863|2.696314|3.090144|2.917083|5.333203|3.520660|0.090077|4.281953|2.729834|4.438790|3.489369|2.200998|4.915269|5.646871|8.904058|17.728209|8.929630|5.640054|4.125205|9.206104|7.883475|7.798438|0.054606|0.054783|0.047697|0.060922|0.050717|0.052150|0.045945|0.046042|0.051975|0.045482|0.043650|0.037089|0.035397|0.039801|0.035761|0.042567|0.038096|0.058270|0.065241|0.059034|0.065199|0.087886|0.059450|0.055700|0.061061|0.124372|0.214130|0.500000| 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