Version2.0 2020-07-31T12:41:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 07-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](c1ccc(c(c1)F)N2CC[NH+](CC2)C)N[C@@H](C)C(=O)NC(=O)NC(C)C C66390661 RHF 6-31G(d) (6D,7F) C[C@@H](c1ccc(c(c1)F)N2CC[NH+](CC2)C)N[C@@H](C)C(=O)NC(=O)NC(C)C C01[X(C20H33F1N5O2)] 177 C1 486 C[NH+]1CCN(CC1)c1ccc(cc1F)[C@@H](N[C@H](C(=O)NC(=O)NC(C)C)C)C C[NH+]1CCN(CC1)c1ccc(cc1F)[C@@H](N[C@H](C(=O)NC(=O)NC(C)C)C)C CC(C)NC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CC[NH+](C)CC2)c(F)c1 InChIKey=BAVKBKXAIUQGRB-GJZGRUSLSA-O InChI=1S/C20H32FN5O2/c1-13(2)22-20(28)24-19(27)15(4)23-14(3)16-6-7-18(17(21)12-16)26-10-8-25(5)9-11-26/h6-7,12-15,23H,8-11H2,1-5H3,(H2,22,24,27,28)/p+1/t14-,15-/m0/s1 InChI=1/C20H32FN5O2/c1-13(2)22-20(28)24-19(27)15(4)23-14(3)16-6-7-18(17(21)12-16)26-10-8-25(5)9-11-26/h6-7,12-15,23H,8-11H2,1-5H3,(H2,22,24,27,28)/p+1/t14-,15-/m0/s1/fC20H33FN5O2/h22,24-25H/q+1 C[C@@H](c1ccc(c(c1)F)N2CC[NH+](CC2)C)N[C@@H](C)C(=O)NC(=O)NC(C)C C01[X(C20H33F1N5O2)] 177 C01 486 C[NH+]1CCN(CC1)c1ccc(cc1F)[C@@H](N[C@H](C(=O)NC(=O)NC(C)C)C)C C[NH]1CCN(CC1)[C]1[CH][CH][C]([CH][C]1F)[C@@H](N[C@H](C(=O)NC(=O)NC(C)C)C)C CC(C)NC(=O)NC(=O)[C@H](C)N[C@@H](C)[C]1[CH][CH][C]([C](F)[CH]1)N2CC[NH](C)CC2 InChIKey=OWBPBCUTAGWCRB-GJZGRUSLSA-N InChI=1S/C20H33FN5O2/c1-13(2)22-20(28)24-19(27)15(4)23-14(3)16-6-7-18(17(21)12-16)26-10-8-25(5)9-11-26/h6-7,12-15,23,25H,8-11H2,1-5H3,(H2,22,24,27,28)/t14-,15-/m0/s1 InChI=1/C20H33FN5O2/c1-13(2)22-20(28)24-19(27)15(4)23-14(3)16-6-7-18(17(21)12-16)26-10-8-25(5)9-11-26/h6-7,12-15,23,25H,8-11H2,1-5H3,(H2,22,24,27,28)/t14-,15-/m0/s1/f/h22,24H 2595.1337436306 -1297.8096505 1-A 23618.1414 106 380 486 |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| -26.41222 -20.59851 -20.57566 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 4565.9630 38271.3196 40815.5916 0.99998 0.00171 -0.00539 -0.00171 1.00000 0.00029 0.00539 -0.00028 0.99999 1 0.01897 0.00226 0.00212 0.39526 0.04716 0.04422 18.89 22.99 31.30 51.63 59.34 72.32 87.72 94.26 112.31 121.73 143.76 153.96 191.05 230.93 244.47 271.06 303.25 323.28 343.27 348.16 351.91 363.15 371.03 387.32 397.10 407.15 419.42 422.76 471.49 493.31 501.24 529.15 560.37 593.40 609.89 650.69 688.42 704.26 724.71 726.69 743.43 750.65 763.55 810.08 811.04 822.71 839.95 908.57 979.53 1038.62 1062.26 1139.77 1154.42 1163.27 1180.26 1191.19 1222.17 1230.80 1282.15 1302.55 1322.71 1358.78 1364.63 1403.48 1435.47 1440.96 1458.71 1464.05 1477.75 1488.24 1502.96 1533.94 1542.64 1579.87 1601.23 1604.76 1616.40 1646.20 1649.02 1654.49 1685.09 1704.44 1722.59 1736.48 1759.98 1790.52 1799.92 1816.71 1832.38 1840.32 1854.07 1858.52 1867.38 1873.67 1888.33 1912.93 1934.79 1946.85 1958.16 2008.90 2019.47 2031.05 2104.31 2122.84 2127.82 2133.23 2141.50 2163.92 2169.40 2172.64 2192.75 2201.35 2210.87 2243.48 2244.90 2249.62 2265.48 2267.07 2273.01 2291.51 2301.77 2314.40 2334.83 2345.63 2347.96 2351.67 2358.28 2359.98 2361.68 2363.78 2365.11 2370.41 2373.29 2373.90 2380.35 2389.03 2418.54 2428.78 2439.24 2452.91 2551.23 2628.06 2840.92 2948.24 4551.77 4576.89 4583.19 4597.61 4606.98 4624.84 4626.62 4643.07 4688.16 4691.02 4691.81 4711.82 4717.11 4720.90 4722.21 4731.68 4732.43 4737.32 4741.60 4750.74 4753.02 4754.23 4805.44 4809.48 4836.35 4842.48 4852.46 4880.58 4922.90 5295.40 5438.44 5529.99 5577.88 0.572729 0.600656 0.601600 0.510628 -1297.236922 -1297.208995 -1297.208051 -1297.299023 3.051216D-04 MUNgauss RevisionA2.0 retrievium 31-Jul-2020 DUDE C[C@@H](c1ccc(c(c1)F)N2CC[NH+](CC2)C)N[C@@H](C)C(=O)NC(=O)NC(C)C C66390661 RHF 6-31G(d) (6D,10F) C1 394.261829 |X|Y|Z| 46.653052 26.907720 143.934156 56.533639 12 6 7 10 2 |36.858105| |12.426142|36.858105| |8.920297|17.481320|0.500000| |7.602868|12.510685|0.250450|36.858105| |5.621397|7.529040|0.205127|13.709321|36.858105| |4.155451|4.999830|0.133814|7.891213|13.751859|36.858105| |3.766188|4.399951|0.111203|6.786646|7.911831|13.757196|36.858105| |4.256197|5.030357|0.118051|7.990511|6.978233|8.049277|13.747977|36.858105| |5.826201|7.521341|0.156997|13.688006|7.957928|6.873097|7.856505|13.875303|36.858105| |3.495325|3.913485|0.093346|5.288647|4.683257|5.316965|8.159219|14.240060|8.158345|97.533100| |2.954452|3.306467|0.085901|4.494191|5.125746|7.799217|13.303222|7.715631|5.093767|15.411576|53.358707| |2.580234|2.932698|0.076806|3.801034|4.122086|5.527110|7.849820|6.152130|4.362357|14.110602|17.881776|36.858105| |2.170727|2.402228|0.064049|2.962500|3.240748|4.155788|5.112116|4.190877|3.257879|9.769734|10.686126|12.532359|36.858105| |2.071857|2.224491|0.058789|2.703968|2.904750|3.635056|4.475414|3.828740|3.003007|9.306394|9.098064|7.687265|12.663150|53.358707| |2.065470|2.210679|0.057785|2.673371|2.788652|3.402870|4.290835|3.899635|3.047434|10.075735|8.213458|7.189519|9.328981|25.681575|0.500000| |2.271511|2.395137|0.063042|2.951618|3.228036|4.143458|5.108164|4.187184|3.249485|9.783833|10.689910|6.628944|7.698734|17.237972|0.259115|36.858105| |2.749257|2.920238|0.075134|3.778814|4.096714|5.498716|7.835097|6.140698|4.342899|14.151769|17.889577|7.921836|6.626531|10.460426|0.199651|12.529479|36.858105| |1.793374|1.905425|0.050948|2.247638|2.412567|2.912562|3.358953|2.949801|2.435168|7.048408|6.111397|4.988847|7.663508|17.407041|0.260270|7.663543|4.988019|36.858105| |7.731992|13.118878|0.249556|7.890738|5.252991|4.008171|3.815048|4.578276|6.726797|8.604217|4.062769|2.775805|2.278057|2.862201|0.058890|2.206477|2.652554|1.810333|53.358707| |6.234910|7.616662|0.188518|5.036263|3.887524|3.114920|2.959986|3.401142|4.470925|6.739355|3.311902|2.298998|1.946697|2.468337|0.050801|1.889981|2.209634|1.591716|17.880789|36.858105| |6.757852|6.700444|0.161175|4.546922|3.551698|2.890961|2.771866|3.190029|4.140226|6.423544|3.133582|2.153748|1.840988|2.369712|0.048902|1.829613|2.136153|1.533946|12.522658|17.555141|0.500000| |5.201731|6.229048|0.190741|4.295039|3.638242|2.909724|2.668925|2.911998|3.625430|5.737952|3.036984|2.112409|1.820105|2.295337|0.046737|1.755318|2.015593|1.497670|10.229698|12.374880|0.246019|36.858105| |4.276810|5.066121|0.128458|4.005176|3.215969|2.723502|2.677009|3.095733|3.876386|6.411277|3.078382|2.203513|1.876929|2.372710|0.049259|1.782414|2.058578|1.537994|10.869661|12.441905|0.246434|7.676176|36.858105| |3.766860|4.680732|0.119974|4.006505|3.258351|2.813922|2.803032|3.250492|3.990077|6.787240|3.236278|2.366493|2.000029|2.494540|0.051905|1.848382|2.131749|1.611395|9.698570|8.021236|0.165895|6.004811|16.026390|73.516695| |3.627149|3.915179|0.101057|3.193391|2.654033|2.301965|2.277812|2.599936|3.139084|5.523049|2.681391|1.922867|1.668452|2.136427|0.044480|1.604206|1.828890|1.400218|7.274778|7.796916|0.209131|5.964141|13.828081|14.889602|53.358707| |2.864437|3.077502|0.081046|2.644819|2.267457|2.018168|2.015038|2.271069|2.643711|4.925476|2.423040|1.764669|1.550679|1.987251|0.041484|1.476317|1.660110|1.314087|5.366764|5.030421|0.134475|4.378825|7.670931|11.677309|18.422916|36.858105| |2.603365|2.871482|0.076771|2.529787|2.202331|1.979837|1.978916|2.210652|2.532705|4.808803|2.397492|1.769184|1.558994|1.982025|0.041345|1.458559|1.629876|1.314127|4.943874|4.393244|0.111881|4.014680|6.582607|11.849995|11.327789|16.025324|73.516695| |2.597214|2.677978|0.070479|2.327444|2.018732|1.815249|1.818817|2.038596|2.339709|4.469461|2.210925|1.604082|1.424348|1.845398|0.038590|1.374926|1.536321|1.228089|4.459697|4.048942|0.115828|3.601587|5.285582|8.108429|11.317480|14.001436|14.985208|53.358707| |2.167810|2.235761|0.059431|1.997164|1.766118|1.614130|1.624844|1.801779|2.020864|3.996159|2.005275|1.468013|1.318119|1.711726|0.035842|1.266633|1.399731|1.148325|3.609710|3.116592|0.087792|2.874483|3.884073|6.414368|7.059180|7.757386|12.080845|17.724551|36.858105| |2.041403|2.114239|0.055589|1.935803|1.711820|1.585659|1.619574|1.807198|2.001878|4.079928|2.015070|1.488387|1.338283|1.742775|0.036730|1.281039|1.412851|1.169518|3.405879|2.815591|0.078737|2.534634|3.502136|6.053489|5.917711|5.969999|10.157800|10.463945|12.465204|36.858105| |2.003487|2.017750|0.053953|1.803472|1.611496|1.476967|1.480797|1.627656|1.813090|3.607868|1.837697|1.336947|1.210208|1.582931|0.033082|1.176871|1.293623|1.067920|3.164018|2.712835|0.078360|2.557870|3.166903|5.154329|5.545938|5.171320|8.053419|10.677815|12.486489|7.513774|36.858105| |17.566863|8.750711|0.214044|5.509524|4.433600|3.422462|3.118454|3.453846|4.474749|6.631834|3.452733|2.263587|1.940009|2.524539|0.051386|2.012376|2.377439|1.628419|9.326013|6.748321|0.224069|5.954764|4.435355|6.642657|5.303937|3.027162|4.808652|3.770504|2.284264|2.109008|2.131345|0.500000| |17.567943|8.801560|0.173938|6.826780|4.929577|3.911698|3.766373|4.474372|6.189432|8.541900|4.057259|2.607084|2.186243|2.878702|0.059260|2.322803|2.840783|1.822092|9.642692|5.704320|0.180481|4.433639|4.205321|6.601044|4.966905|2.893198|4.626570|3.617937|2.216218|2.115355|2.047795|0.300918|0.500000| |17.569354|8.797342|0.213641|7.025887|5.983718|4.431271|3.868009|4.145975|5.286382|7.580281|4.150147|2.596619|2.206230|2.887091|0.058158|2.368936|2.865038|1.839520|7.629942|4.684723|0.137073|4.268612|3.466584|5.602064|4.103840|2.467996|4.047175|3.086647|1.932683|1.829263|1.806349|0.302577|0.300423|0.500000| |5.429810|6.990235|0.225577|8.909045|17.721533|8.950369|5.645973|5.006829|5.651217|8.334889|5.674340|3.478464|2.872286|3.522781|0.068523|2.858948|3.455487|2.208254|6.550081|3.787309|0.096179|3.769714|3.083218|5.474822|3.500005|2.201288|3.804690|2.674561|1.721821|1.651139|1.581237|0.124844|0.125142|0.167350|0.500000| |3.525145|4.078415|0.114233|5.622030|8.894987|17.728525|8.978642|5.701879|4.952956|9.630680|9.825937|5.248815|4.262673|5.028572|0.092946|4.247671|5.221267|3.023217|4.556514|2.720923|0.070576|2.618259|2.406503|4.413705|2.814087|1.836151|3.219539|2.263125|1.492273|1.464117|1.374088|0.083499|0.091533|0.106246|0.215387|0.500000| |5.728876|6.925493|0.141287|8.852405|5.641678|4.956311|5.628899|8.987270|17.764463|16.726300|5.651480|3.756366|2.902221|3.705405|0.078170|2.892769|3.736607|2.244559|10.068720|4.914649|0.128622|3.729533|4.391351|7.970269|4.825117|2.946273|4.947570|3.540273|2.219933|2.215446|1.974163|0.126222|0.183774|0.135533|0.123826|0.107598|0.500000| |2.554994|2.889047|0.074278|3.688323|3.762453|4.700115|6.735574|6.346563|4.469701|17.113393|12.205256|17.474538|8.854888|9.330921|0.209061|5.747871|7.018393|4.599356|3.830656|2.331686|0.060853|2.104592|2.271915|4.366628|2.705716|1.831835|3.265098|2.267873|1.526864|1.562858|1.384481|0.062396|0.073043|0.070246|0.087955|0.118836|0.111133|0.500000| |2.613481|3.060867|0.081435|3.959078|4.364258|5.755072|7.349966|5.815472|4.385595|12.346687|12.496773|17.618015|8.994733|7.626409|0.145442|4.965629|5.713875|4.146449|3.970164|2.408684|0.061703|2.236186|2.317933|4.486798|2.722012|1.836423|3.301217|2.249890|1.511108|1.525965|1.368825|0.063998|0.072140|0.072481|0.103145|0.152982|0.104164|0.302294|0.500000| |1.995551|2.212285|0.059149|2.665602|2.853224|3.497088|4.172337|3.641891|2.931835|8.693757|7.677694|8.786302|17.620206|12.351283|0.224903|5.614970|4.959363|7.137996|2.912107|1.850157|0.048496|1.733262|1.811058|3.457165|2.201811|1.518556|2.732867|1.899046|1.299859|1.326703|1.191087|0.050053|0.055895|0.055777|0.071159|0.098502|0.074247|0.215098|0.211486|0.500000| |2.127274|2.352280|0.063742|2.881013|3.257376|4.223340|4.820692|3.803433|3.050975|8.404871|9.619551|8.824530|17.632173|12.419075|0.182075|7.034835|5.835670|7.082412|2.993301|1.890837|0.049626|1.794214|1.807615|3.407148|2.188701|1.493027|2.669530|1.867390|1.269839|1.280797|1.170024|0.053014|0.058744|0.060695|0.081906|0.127620|0.074820|0.173288|0.216113|0.299511|0.500000| |2.131818|2.202824|0.057819|2.652066|2.838449|3.484502|4.168337|3.637416|2.921267|8.709415|7.679336|4.960346|5.614964|12.352773|0.224856|17.619638|8.784800|7.139095|2.778659|1.769653|0.048040|1.641265|1.673385|3.064256|2.071447|1.405473|2.460092|1.795469|1.219388|1.236209|1.138721|0.052843|0.061102|0.061803|0.070714|0.098095|0.073895|0.129138|0.109054|0.126613|0.143838|0.500000| |2.222669|2.345702|0.062745|2.871126|3.244637|4.210760|4.817923|3.800969|3.044236|8.414479|9.624020|5.838250|7.035678|12.420236|0.182069|17.632194|8.824154|7.082025|2.904927|1.838466|0.049337|1.731722|1.722251|3.166398|2.109653|1.425921|2.507941|1.806700|1.223341|1.230049|1.139643|0.054941|0.062186|0.065114|0.081508|0.127110|0.074613|0.133453|0.131087|0.143842|0.212396|0.299519|0.500000| |2.940508|3.036144|0.078097|3.915400|4.312114|5.699153|7.326787|5.796962|4.350641|12.390470|12.498845|5.713346|4.964403|7.625490|0.145412|8.994005|17.616281|4.146220|3.653349|2.240177|0.060782|2.050018|2.050594|3.719782|2.488612|1.647647|2.853940|2.084587|1.389709|1.393771|1.291709|0.070093|0.084378|0.087256|0.101809|0.151457|0.103207|0.142989|0.127926|0.109037|0.131044|0.211479|0.216127|0.500000| |2.730906|2.875969|0.072655|3.666057|3.741287|4.680688|6.723888|6.331302|4.446458|17.186109|12.205220|7.017328|5.746360|9.330133|0.209024|8.855403|17.475243|4.599255|3.644585|2.232407|0.060299|2.002525|2.104164|3.878230|2.556014|1.708355|2.973875|2.158319|1.445549|1.470550|1.333354|0.065705|0.080239|0.077614|0.087430|0.118379|0.110406|0.205904|0.142988|0.129122|0.133415|0.215097|0.173300|0.302228|0.500000| |1.768582|1.879877|0.050783|2.210715|2.418346|2.933297|3.268874|2.802956|2.344137|6.476275|5.878282|4.615754|6.974015|12.343188|0.181433|6.974044|4.615030|17.650033|2.408648|1.560534|0.041720|1.482947|1.498898|2.784610|1.856240|1.278285|2.273740|1.625084|1.115886|1.130452|1.039963|0.044713|0.049447|0.050755|0.062266|0.087000|0.059531|0.112937|0.110987|0.174384|0.212777|0.174417|0.212764|0.110982|0.112934|0.500000| |1.729305|1.811195|0.048246|2.115570|2.246127|2.666357|3.060229|2.750134|2.297452|6.642136|5.373982|4.158573|5.584849|12.313139|0.224013|7.070799|4.656534|17.645180|2.343354|1.522527|0.041062|1.429096|1.470227|2.720811|1.834629|1.266170|2.242015|1.620309|1.114909|1.137116|1.041190|0.043735|0.049119|0.049372|0.057290|0.076179|0.059421|0.110613|0.096863|0.145300|0.144016|0.218424|0.175459|0.111482|0.123561|0.299183|0.500000| |1.696288|1.813438|0.048566|2.118500|2.249266|2.668824|3.060991|2.750996|2.299650|6.639229|5.373981|4.657391|7.071812|12.313881|0.224037|5.585091|4.158085|17.645348|2.375616|1.543258|0.041181|1.453412|1.506674|2.823697|1.870666|1.298555|2.320716|1.650780|1.139354|1.164929|1.057402|0.043027|0.047860|0.047920|0.057391|0.076263|0.059498|0.123563|0.111491|0.218421|0.175500|0.145313|0.144020|0.096859|0.110611|0.299198|0.299155|0.500000| |5.705549|9.351670|0.213766|7.490017|5.266565|4.129837|3.967995|4.738955|6.692911|8.914745|4.233372|2.967832|2.408142|2.968899|0.061076|2.251838|2.695828|1.871925|25.901437|9.519590|0.184145|6.694029|7.880316|15.118264|6.892618|3.924230|6.717578|4.331534|2.622471|2.503044|2.265564|0.142141|0.147824|0.127032|0.132275|0.095795|0.197269|0.083763|0.088620|0.063265|0.064400|0.057344|0.060477|0.074323|0.075400|0.050785|0.049043|0.050456|0.500000| |4.464781|5.754975|0.185154|4.272765|3.733069|3.003046|2.732107|2.937394|3.591604|5.760595|3.116544|2.194984|1.888128|2.349352|0.047666|1.780497|2.034880|1.533243|9.309697|8.780496|0.173369|17.564756|6.955865|11.181106|7.079972|4.108689|7.110301|4.514422|2.727669|2.438719|2.400197|0.132252|0.106950|0.106060|0.108288|0.075533|0.100390|0.060419|0.065570|0.050143|0.051883|0.045920|0.048967|0.056950|0.055814|0.042277|0.040377|0.041488|0.194706|0.500000| |4.239353|4.665971|0.138334|3.469314|3.015971|2.496395|2.322513|2.521104|3.049008|5.086880|2.700294|1.894309|1.654632|2.100248|0.042865|1.599047|1.814373|1.382912|7.508380|8.747036|0.211200|17.558206|7.059830|9.609722|8.795254|4.842242|7.731854|5.472955|3.165734|2.694419|2.836669|0.137412|0.104692|0.099671|0.086619|0.063320|0.088151|0.052646|0.055420|0.044053|0.045303|0.041817|0.043814|0.051191|0.050276|0.038023|0.036795|0.037406|0.140560|0.301404|0.500000| |5.941797|6.682178|0.225275|4.440013|3.866219|3.025280|2.706703|2.897396|3.590085|5.628755|3.068045|2.097545|1.815406|2.300299|0.046554|1.779485|2.044201|1.502752|9.066455|8.736129|0.212615|17.578394|5.533685|8.162969|6.297684|3.568911|5.834265|4.200104|2.525422|2.249686|2.308182|0.201035|0.131366|0.138448|0.115479|0.076154|0.099753|0.057432|0.061359|0.047654|0.050082|0.046251|0.049099|0.058475|0.055913|0.041542|0.039899|0.040269|0.158482|0.300550|0.302600|0.500000| |3.809413|3.889283|0.100438|3.108057|2.592758|2.238358|2.200640|2.497838|3.018046|5.287836|2.591955|1.837407|1.602643|2.068735|0.042993|1.566449|1.784930|1.359261|6.885580|7.581221|0.240974|5.960124|9.370630|10.849580|26.061660|9.280743|10.896810|10.739616|4.919522|4.026682|4.161751|0.118145|0.106794|0.087525|0.070350|0.056020|0.094145|0.052530|0.052691|0.042968|0.043042|0.041468|0.042127|0.050021|0.050837|0.036842|0.036496|0.036913|0.126180|0.135204|0.187240|0.134205|0.500000| |2.731133|2.743701|0.071229|2.374687|2.044066|1.835742|1.845436|2.081769|2.401167|4.576611|2.238327|1.611846|1.429585|1.864522|0.039059|1.397268|1.567219|1.238629|4.539731|4.102424|0.123219|3.535302|5.084716|7.572529|10.702203|9.426455|10.956496|26.015761|9.066872|6.659356|7.212712|0.081369|0.078927|0.065905|0.055062|0.046557|0.074863|0.046585|0.045815|0.038749|0.038190|0.037367|0.037385|0.043599|0.045100|0.033401|0.033465|0.033870|0.087821|0.088319|0.108030|0.085764|0.236518|0.500000| |2.082246|2.179126|0.058677|1.950616|1.740279|1.591302|1.593339|1.752405|1.957174|3.867169|1.970280|1.448959|1.304089|1.684095|0.035158|1.241655|1.366916|1.132436|3.505616|3.025381|0.083134|2.878971|3.787634|6.414983|6.625286|7.411513|13.498657|12.690997|17.634443|8.914226|8.907017|0.060862|0.058375|0.051827|0.047382|0.041039|0.059079|0.041704|0.041685|0.035816|0.035004|0.033107|0.033422|0.037612|0.039025|0.030644|0.030451|0.031277|0.071778|0.077412|0.088829|0.069826|0.124565|0.181186|0.500000| 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|1.829768|1.892234|0.050141|1.749919|1.566423|1.461969|1.492787|1.650392|1.806109|3.737260|1.873698|1.389328|1.259498|1.642780|0.034605|1.203472|1.317138|1.109167|2.993681|2.440949|0.068011|2.244456|2.952397|5.174204|4.799436|4.600996|8.225724|7.594962|8.808060|17.552783|6.842632|0.052391|0.052440|0.046040|0.042106|0.037741|0.054939|0.040462|0.039548|0.034810|0.033536|0.032329|0.032150|0.036048|0.038023|0.029803|0.029989|0.030770|0.061391|0.060546|0.066193|0.055977|0.091994|0.137931|0.212860|0.301298|0.500000| 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