Version2.0 2020-01-26T00:27:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 12-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCNC(=O)N1CCN(CC1)CC2=C([C@@H](NC(=O)N2CC)c3ccc(cc3)C(C)C)C(=O)OCC C36013930 RHF 6-31G(d) (6D,7F) CCCNC(=O)N1CCN(CC1)CC2=C([C@@H](NC(=O)N2CC)c3ccc(cc3)C(C)C)C(=O)OCC C01[X(C27H41N5O4)] 225 C1 622 CCCNC(=O)N1CCN(CC1)CC1=C(C(=O)OCC)[C@@H](NC(=O)N1CC)c1ccc(cc1)C(C)C CCCNC(=O)N1CCN(CC1)CC1=C(C(=O)OCC)[C@@H](NC(=O)N1CC)c1ccc(cc1)C(C)C CCCNC(=O)N1CCN(CC1)CC2=C([C@@H](NC(=O)N2CC)c3ccc(cc3)C(C)C)C(=O)OCC InChIKey=MOSLVVNETGMLRE-DEOSSOPVSA-N InChI=1S/C27H41N5O4/c1-6-13-28-26(34)31-16-14-30(15-17-31)18-22-23(25(33)36-8-3)24(29-27(35)32(22)7-2)21-11-9-20(10-12-21)19(4)5/h9-12,19,24H,6-8,13-18H2,1-5H3,(H,28,34)(H,29,35)/t24-/m0/s1 InChI=1/C27H41N5O4/c1-6-13-28-26(34)31-16-14-30(15-17-31)18-22-23(25(33)36-8-3)24(29-27(35)32(22)7-2)21-11-9-20(10-12-21)19(4)5/h9-12,19,24H,6-8,13-18H2,1-5H3,(H,28,34)(H,29,35)/t24-/m0/s1/f/h28-29H CCCNC(=O)N1CCN(CC1)CC2=C([C@@H](NC(=O)N2CC)c3ccc(cc3)C(C)C)C(=O)OCC C01[X(C27H41N5O4)] 225 C01 622 CCCNC(=O)N1CCN(CC1)CC1=C(C(=O)OCC)[C@@H](NC(=O)N1CC)c1ccc(cc1)C(C)C CCCNC(=O)N1CCN(CC1)CC1=C(C(=O)OCC)[C@@H](NC(=O)N1CC)c1ccc(cc1)C(C)C CCCNC(=O)N1CCN(CC1)CC2=C([C@@H](NC(=O)N2CC)c3ccc(cc3)C(C)C)C(=O)OCC InChIKey=MOSLVVNETGMLRE-DEOSSOPVSA-N InChI=1S/C27H41N5O4/c1-6-13-28-26(34)31-16-14-30(15-17-31)18-22-23(25(33)36-8-3)24(29-27(35)32(22)7-2)21-11-9-20(10-12-21)19(4)5/h9-12,19,24H,6-8,13-18H2,1-5H3,(H,28,34)(H,29,35)/t24-/m0/s1 InChI=1/C27H41N5O4/c1-6-13-28-26(34)31-16-14-30(15-17-31)18-22-23(25(33)36-8-3)24(29-27(35)32(22)7-2)21-11-9-20(10-12-21)19(4)5/h9-12,19,24H,6-8,13-18H2,1-5H3,(H,28,34)(H,29,35)/t24-/m0/s1/f/h28-29H 4004.0488328885 -1618.0725314 1-A 28416.1124 135 487 622 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8304.7385 43811.5796 47420.7658 0.99996 0.00171 0.00835 -0.00191 0.99969 0.02470 -0.00830 -0.02471 0.99966 1 0.01043 0.00198 0.00183 0.21731 0.04119 0.03806 13.88 21.97 30.50 33.98 38.94 44.34 59.14 70.30 77.91 82.10 90.01 110.47 124.22 128.64 131.33 143.83 150.36 166.59 206.34 216.86 241.08 244.92 264.02 275.38 308.45 315.24 321.31 355.04 361.59 366.40 370.10 395.23 404.21 415.46 424.35 436.74 460.66 469.82 481.74 506.22 541.09 556.18 586.14 602.12 609.73 640.70 647.74 656.46 684.00 688.32 719.71 729.59 738.70 769.35 819.68 869.01 882.19 897.28 907.67 929.12 999.92 1014.57 1029.42 1048.13 1095.50 1115.93 1138.13 1169.15 1205.02 1217.12 1233.39 1237.99 1260.07 1272.70 1275.63 1310.87 1314.03 1333.93 1354.85 1367.03 1368.91 1388.43 1394.44 1396.72 1414.08 1437.29 1457.62 1473.40 1499.77 1518.30 1556.74 1562.77 1573.91 1581.37 1591.58 1604.28 1605.17 1611.80 1668.01 1670.12 1677.88 1708.28 1720.80 1734.27 1748.84 1755.99 1762.10 1788.51 1792.34 1796.86 1808.33 1821.70 1828.61 1845.16 1858.73 1868.78 1871.59 1876.96 1888.35 1894.87 1907.72 1934.21 1943.95 1952.07 1974.75 1989.34 2004.55 2048.75 2050.67 2066.95 2071.84 2073.78 2089.80 2109.83 2117.51 2126.41 2129.07 2138.88 2176.32 2186.71 2196.00 2206.67 2216.85 2220.98 2226.84 2236.00 2240.67 2244.25 2253.75 2254.52 2261.93 2265.24 2273.07 2280.22 2295.21 2298.34 2345.77 2346.89 2348.21 2356.48 2356.71 2357.11 2358.46 2364.65 2365.54 2368.77 2370.56 2370.99 2376.80 2377.37 2377.80 2384.14 2392.18 2403.31 2405.67 2424.53 2435.62 2458.64 2549.17 2587.32 2622.84 2757.08 2795.53 2822.27 4524.07 4565.77 4576.14 4580.59 4587.54 4598.42 4603.32 4606.24 4609.84 4613.23 4625.37 4625.82 4647.86 4661.84 4679.98 4688.48 4693.70 4697.67 4700.53 4704.06 4705.68 4711.10 4711.87 4718.74 4726.11 4730.76 4735.77 4751.68 4753.65 4759.41 4773.69 4798.18 4813.68 4829.75 4831.04 4835.05 4842.45 4860.99 4873.17 5537.53 5587.99 0.719301 0.754948 0.755892 0.645921 -1617.353231 -1617.317584 -1617.316640 -1617.426610 3.688412D-04 MUNgauss RevisionA2.0 retrievium 26-Jan-2020 DUDE CCCNC(=O)N1CCN(CC1)CC2=C([C@@H](NC(=O)N2CC)c3ccc(cc3)C(C)C)C(=O)OCC C36013930 RHF 6-31G(d) (6D,10F) C1 499.315855 |X|Y|Z| 59.656329 38.909868 152.785001 70.783549 19 6 7 15 4 |36.858105| |12.468345|36.858105| |7.518727|12.494078|36.858105| |5.001341|7.793222|13.108467|53.358707| |3.845745|5.116599|7.831897|18.928216|36.858105| |3.697160|4.543209|7.017412|11.539753|15.803279|73.516695| |3.106910|3.994454|5.192312|11.112417|13.885258|15.017310|53.358707| |2.589043|3.131910|3.941522|7.113872|7.868363|12.420286|17.844782|36.858105| |2.233485|2.653933|3.148418|5.449631|5.229129|8.432221|10.599460|12.539962|36.858105| |2.163747|2.592465|2.957851|5.162890|4.531789|6.911375|9.136214|7.793857|13.095767|53.358707| |2.438136|3.018049|3.387254|6.207163|5.151536|7.298418|10.613430|6.691964|8.003278|17.816592|36.858105| |2.938006|3.814359|4.465798|9.206432|7.614052|9.409543|17.882358|7.794386|6.668810|10.561350|12.504380|36.858105| |1.884022|2.204810|2.445043|4.070924|3.421460|5.452531|6.138128|5.086826|7.932916|17.835276|7.872942|5.058787|36.858105| |1.756823|2.041461|2.204243|3.606080|2.896024|4.597589|4.970014|3.881201|5.066367|10.411514|6.191186|4.326892|12.515221|36.858105| |1.679279|1.939816|2.049395|3.302392|2.577028|4.102906|4.264821|3.184415|3.951120|7.317566|5.131534|3.724691|7.546954|14.109405|36.858105| |1.533251|1.748090|1.819166|2.869771|2.197073|3.532792|3.520939|2.613316|3.070110|5.325687|3.805885|3.033215|4.864187|7.640862|12.548317|36.858105| |1.543684|1.759817|1.806156|2.835925|2.133253|3.414840|3.372784|2.440963|2.800608|4.778525|3.606900|2.934262|4.133460|5.826163|8.961485|17.646598|0.500000| |1.539815|1.754827|1.830415|2.886167|2.206633|3.541021|3.537717|2.644392|3.023339|5.265984|3.690615|3.065506|4.501346|7.015217|7.925036|13.127711|0.259672|53.358707| |1.575433|1.798197|1.906066|3.023066|2.354089|3.788651|3.828745|2.953182|3.393114|5.978045|3.911431|3.279935|5.038965|7.848322|6.774342|7.684586|0.161796|19.177496|36.858105| |1.508848|1.706845|1.807371|2.829086|2.195056|3.567981|3.503477|2.719484|3.015466|5.048101|3.316368|2.935246|4.019913|5.403055|4.747638|5.367234|0.123942|11.601320|15.857949|73.516695| |1.685518|1.942447|2.098432|3.390994|2.714080|4.348568|4.577036|3.652040|4.456780|8.456902|4.966220|3.915733|7.687586|13.662931|7.988536|6.712410|0.142333|11.131364|13.710981|14.965986|53.358707| |1.700712|1.950807|2.147119|3.456453|2.833256|4.610375|4.781422|4.057906|4.823263|8.375749|4.555126|3.881111|6.537505|7.486629|5.058312|4.426942|0.101990|7.121907|7.928105|12.847391|17.546812|36.858105| |1.840184|2.124930|2.349607|3.805531|3.093884|4.961915|5.202507|4.318677|4.573311|7.689101|4.550138|4.286916|5.028202|5.408379|4.058498|3.673349|0.089792|6.030221|6.154771|11.188372|10.296794|12.500227|36.858105| |1.376571|1.547279|1.610320|2.496788|1.919758|3.146789|3.018181|2.277927|2.670511|4.372030|3.043122|2.500166|4.016153|5.500327|7.432907|12.459844|0.250028|10.512937|5.727015|8.060580|6.951604|3.763527|3.080321|36.858105| |1.289397|1.437350|1.479022|2.264293|1.719246|2.831366|2.652169|1.975291|2.261008|3.600731|2.579041|2.181144|3.156815|3.997006|5.138459|7.546784|0.206850|7.608675|4.258304|6.475066|5.134585|2.977237|2.556215|13.763009|36.858105| |1.184611|1.308371|1.347106|2.040668|1.552918|2.586320|2.368552|1.778216|2.022177|3.129608|2.218046|1.909382|2.713395|3.258813|3.904355|4.998326|0.134168|5.641076|3.454962|5.511624|4.268506|2.604888|2.247149|7.890658|13.721348|36.858105| |1.151916|1.268687|1.316957|1.991704|1.531091|2.570672|2.336689|1.782807|2.042412|3.114538|2.153698|1.856008|2.730302|3.206593|3.663906|4.379314|0.110804|5.141743|3.357722|5.437220|4.257546|2.664396|2.253817|6.750407|7.879665|13.742357|36.858105| |1.214004|1.343907|1.408881|2.147653|1.670373|2.804124|2.580686|2.000283|2.335705|3.586282|2.409388|2.045423|3.245990|3.866570|4.304829|4.979244|0.116874|5.851526|3.976367|6.310721|5.165710|3.198716|2.597341|7.893777|6.925911|8.012977|13.659965|36.858105| |1.326880|1.484003|1.561033|2.411536|1.881609|3.122767|2.958427|2.292438|2.725504|4.347213|2.891295|2.388622|4.095490|5.307972|6.155581|7.453514|0.155751|8.127056|5.361402|7.881568|6.964355|3.972415|3.108454|13.686838|8.011148|6.921369|7.874866|13.795492|36.858105| |1.057732|1.155147|1.196964|1.791834|1.375206|2.329145|2.073129|1.583339|1.790618|2.668660|1.850662|1.624465|2.285403|2.580095|2.849362|3.244413|0.084435|3.978128|2.687943|4.491434|3.457021|2.251808|1.943855|4.385486|4.994651|7.531134|12.517658|7.477271|4.985459|36.858105| |1.014427|1.103886|1.146293|1.709523|1.313996|2.234401|1.974402|1.517961|1.700537|2.516580|1.730070|1.538379|2.124077|2.386231|2.548852|2.888677|0.074503|3.731746|2.598455|4.484303|3.304665|2.209292|1.917818|3.719190|4.005011|5.310055|7.520475|6.060359|4.304152|12.411348|36.858105| |1.041648|1.134638|1.179229|1.760298|1.357044|2.313320|2.038347|1.563096|1.776042|2.603260|1.799774|1.578730|2.235084|2.440448|2.664957|2.878588|0.074994|3.487139|2.403983|3.992513|3.202427|2.117797|1.827390|3.719458|4.005802|5.311911|7.519861|6.057903|4.303740|12.411311|7.525192|36.858105| |1.714208|1.981281|2.075409|3.331619|2.575201|4.105788|4.191290|3.039171|3.752398|6.525153|4.998279|3.612582|6.333551|7.618901|12.825630|7.490482|0.199201|6.957056|4.443851|6.171058|6.870955|3.776394|3.221126|5.786730|4.633081|3.653169|3.380244|3.778107|4.887266|2.703287|2.361004|2.609387|36.858105| |1.839134|2.142274|2.261594|3.667240|2.860272|4.544504|4.685599|3.349249|4.215350|7.117214|5.713508|3.986150|6.633178|6.403631|7.901918|5.166590|0.139471|5.462008|3.720564|5.369083|5.952269|3.514371|3.071103|4.291733|3.616762|3.022135|2.868846|3.185244|3.901546|2.383644|2.106976|2.357418|15.924232|73.516695| |1.582478|1.805081|1.859425|2.920591|2.216021|3.572220|3.491927|2.513691|2.976024|4.906362|3.784274|2.958778|4.432485|5.304654|8.215175|7.247660|0.223673|6.458586|3.892201|5.588918|5.520090|3.133969|2.733264|6.280877|5.589113|4.262663|3.721875|3.926422|4.881263|2.941072|2.493154|2.811813|14.370367|15.406927|73.516695| |1.562248|1.769510|1.805093|2.798069|2.102360|3.416265|3.237428|2.300208|2.671787|4.204080|3.314718|2.684531|3.619717|3.941695|5.212203|4.716663|0.145196|4.785299|3.020383|4.529260|4.295560|2.585942|2.314861|4.440570|4.332551|3.624853|3.207918|3.262006|3.745832|2.669327|2.254809|2.631980|8.096334|12.940381|23.782767|36.858105| |1.417547|1.584407|1.599820|2.438109|1.814724|2.974964|2.745354|1.957299|2.220445|3.434407|2.669910|2.253075|2.888979|3.198781|4.086866|4.154848|0.132123|4.354288|2.709205|4.165100|3.698088|2.262682|2.047544|4.200700|4.577049|3.953478|3.338101|3.192225|3.492602|2.821487|2.338260|2.751802|5.270314|8.268023|14.302277|12.582190|36.858105| |17.558437|8.787004|5.478073|5.629471|3.260412|5.508161|3.739050|2.314896|2.040265|2.730303|2.266051|2.675913|1.769683|1.670463|1.613205|1.485736|0.041826|2.028391|1.512654|2.577895|2.182186|1.604303|1.729551|1.336083|1.259757|1.158159|1.121677|1.175628|1.281689|1.031619|0.988538|1.014363|1.652141|3.134500|2.737500|1.527759|1.396518|0.500000| |17.544347|8.779267|6.813953|6.274043|3.726452|6.619496|4.074202|2.531309|2.197841|2.855256|2.341609|2.768280|1.839485|1.700124|1.626781|1.479997|0.041291|2.009088|1.509668|2.564928|2.207870|1.637842|1.751979|1.337911|1.254153|1.156982|1.128739|1.189784|1.295618|1.039588|0.995909|1.028871|1.672280|3.210050|2.746254|1.535142|1.391664|0.301761|0.500000| |17.541931|8.770371|6.807971|6.266418|3.674313|6.411763|4.052352|2.532739|2.162724|2.841112|2.311582|2.791695|1.815322|1.697720|1.612314|1.479791|0.041211|2.039765|1.543820|2.649401|2.242452|1.679869|1.833947|1.332098|1.246597|1.148131|1.119741|1.181626|1.289158|1.030235|0.992807|1.013073|1.627794|3.080912|2.671484|1.473613|1.342554|0.301760|0.301642|0.500000| |8.834220|17.537372|8.899034|9.735915|4.862551|7.554429|5.373631|3.068224|2.674483|3.587763|3.136527|3.867100|2.263271|2.093435|2.012932|1.804633|0.050788|2.435645|1.814379|3.033474|2.670161|1.940841|2.082510|1.594711|1.485228|1.348780|1.302841|1.376449|1.521521|1.184205|1.125055|1.165452|2.091098|4.061655|3.393854|1.891413|1.685234|0.212123|0.210379|0.172673|0.500000| |8.867859|17.488655|8.855412|9.665846|4.735003|7.235008|5.310313|3.064461|2.607702|3.553836|3.059952|3.921374|2.215773|2.086259|1.983573|1.802457|0.050592|2.488031|1.872131|3.171847|2.728196|2.008825|2.220341|1.583530|1.471641|1.333927|1.288175|1.362806|1.509772|1.169717|1.119863|1.141992|2.004259|3.805912|3.253388|1.778870|1.599447|0.213149|0.173038|0.210919|0.303243|0.500000| |6.900025|8.827960|17.514119|12.318005|6.819942|11.847254|6.423409|3.800837|2.986312|3.798224|3.090454|4.033269|2.312700|2.099109|1.937063|1.735638|0.047636|2.403919|1.855991|3.164930|2.768611|2.115214|2.347634|1.543737|1.417824|1.296333|1.271984|1.362213|1.504474|1.159691|1.117431|1.140555|1.932916|3.697426|3.088758|1.675388|1.496403|0.140728|0.170156|0.204833|0.173739|0.210365|0.500000| |6.836874|8.845535|17.638405|12.590493|7.254614|13.390230|6.574228|3.820664|3.098747|3.856663|3.187631|4.001632|2.376040|2.114665|1.972144|1.743962|0.047981|2.365070|1.805916|3.036998|2.717733|2.042721|2.193583|1.559097|1.434377|1.313597|1.289417|1.379440|1.520532|1.176529|1.125025|1.166461|2.018632|3.947273|3.220399|1.774884|1.571213|0.140060|0.202608|0.167924|0.213090|0.173592|0.303903|0.500000| |4.689418|7.338661|9.156899|26.094201|9.390955|11.002599|10.282201|4.902341|3.879280|5.296971|4.844834|7.649580|3.054805|2.775641|2.548595|2.228512|0.061539|3.081331|2.365061|3.934034|3.578863|2.655117|2.979319|1.912886|1.733885|1.551221|1.504252|1.619182|1.829044|1.346869|1.285179|1.313880|2.544204|4.912987|3.968036|2.118406|1.849488|0.112441|0.115104|0.121202|0.188481|0.218226|0.204939|0.181447|0.500000| |2.476614|2.957899|3.662221|6.384087|6.432831|10.348157|12.397027|17.493639|8.914495|9.499355|5.771336|6.855259|4.723092|3.820605|3.087929|2.595427|0.066940|3.682532|3.099957|5.187773|5.189873|4.491882|5.144498|2.259713|1.955905|1.762101|1.770060|1.990175|2.281388|1.572851|1.522567|1.540460|2.848044|5.395607|4.238290|2.156576|1.861616|0.061806|0.066433|0.068495|0.078927|0.082268|0.101999|0.096108|0.127698|0.500000| |2.600132|3.076757|3.963012|6.736521|7.656846|14.822579|12.567327|17.695406|8.876923|7.681686|5.024424|5.692426|4.197712|3.272468|2.764740|2.311059|0.060274|3.158744|2.563484|4.250713|4.210869|3.431843|3.585195|2.060326|1.808056|1.648415|1.662337|1.855703|2.091558|1.493093|1.435148|1.486177|2.688367|5.284596|4.032652|2.113180|1.815048|0.063969|0.071886|0.070998|0.083178|0.081664|0.107488|0.111179|0.122407|0.301167|0.500000| |2.020946|2.346820|2.755872|4.566152|4.251252|7.247102|7.696634|8.945807|17.555642|12.474556|5.736493|4.969219|7.323453|4.847394|3.730798|2.968267|0.074019|4.021961|3.393600|5.451692|6.110619|5.204164|4.700134|2.652144|2.234865|2.023637|2.077940|2.407582|2.786755|1.830707|1.754283|1.822543|3.449393|6.660721|4.956833|2.493054|2.104447|0.051506|0.055429|0.054913|0.065132|0.064203|0.074156|0.075800|0.090445|0.220153|0.212029|0.500000| |2.236334|2.645683|3.121556|5.321980|5.042766|8.355278|9.390164|8.868569|17.432594|12.263573|7.147100|5.823321|7.049273|4.558535|3.782063|2.924824|0.075079|3.794967|3.023712|4.758900|5.232363|3.942674|3.669194|2.586514|2.215705|1.993873|2.013034|2.284943|2.635854|1.774064|1.668849|1.781116|3.823623|8.037773|5.400375|2.799832|2.296402|0.056805|0.061951|0.059458|0.075398|0.070935|0.080602|0.087635|0.102616|0.174215|0.217778|0.300896|0.500000| |2.301997|2.822424|3.046319|5.381741|4.179884|6.061447|7.706823|4.982505|5.736440|12.460662|17.591094|8.934780|7.240771|7.032669|6.141951|4.512316|0.120852|5.965017|4.490365|6.561748|7.529491|4.656626|4.648287|3.406795|2.868475|2.408129|2.296135|2.553430|3.119765|1.947006|1.811657|1.867938|5.763674|10.908465|7.674892|3.640952|2.924562|0.060376|0.060880|0.060687|0.081755|0.081151|0.077828|0.078803|0.120826|0.129085|0.109825|0.127835|0.144821|0.500000| |2.452314|3.025387|3.366327|6.060450|4.974997|7.216224|9.416271|5.844876|7.161982|12.287574|17.487379|8.886223|7.011463|5.369846|4.837685|3.574147|0.095762|4.509279|3.391860|5.140081|5.681121|3.788529|3.659342|2.937425|2.527360|2.189677|2.124022|2.356749|2.791758|1.834844|1.697887|1.805907|5.261217|11.925374|7.053480|3.615369|2.833451|0.063450|0.066344|0.063661|0.089685|0.083253|0.083404|0.090394|0.126320|0.133200|0.132078|0.144936|0.213511|0.301997|0.500000| |3.272894|4.433341|4.948514|10.524463|7.163894|8.810758|12.458992|5.672032|5.033253|7.714924|9.013523|17.638500|4.208730|3.768892|3.437470|2.862708|0.079007|3.883707|2.952469|4.717381|4.609358|3.262093|3.552881|2.368202|2.104618|1.842955|1.773584|1.926672|2.229941|1.558866|1.469779|1.515546|3.465305|6.852357|5.175169|2.703437|2.277434|0.083337|0.084635|0.084301|0.129420|0.127888|0.118210|0.120402|0.265338|0.140195|0.128325|0.109878|0.132585|0.215215|0.222810|0.500000| |2.821559|3.599709|4.132855|7.989215|6.277673|8.262356|12.334894|6.781968|5.694523|9.356233|8.856354|17.481974|4.666359|4.269334|3.621074|3.049168|0.081621|4.370859|3.516499|5.704850|5.616025|4.205184|5.046619|2.495032|2.174425|1.900391|1.845560|2.034204|2.379438|1.614437|1.542448|1.554153|3.352584|6.279221|4.969243|2.498812|2.139207|0.071860|0.072708|0.076061|0.098221|0.106683|0.108713|0.100405|0.195891|0.195375|0.140063|0.127590|0.131864|0.219604|0.174122|0.300470|0.500000| |1.765534|2.036195|2.272289|3.704077|3.150540|5.188060|5.479894|4.846055|7.565289|12.547251|5.715309|4.215258|17.588604|9.040256|5.962686|4.293904|0.100289|5.559903|4.748972|7.018142|9.739100|7.031604|5.000923|3.804949|3.000673|2.652250|2.749132|3.343949|4.134664|2.325693|2.188420|2.295525|5.021843|9.122884|6.761442|3.182066|2.620651|0.045988|0.048128|0.047614|0.057536|0.056592|0.060494|0.061850|0.076190|0.128396|0.115498|0.235763|0.184125|0.144895|0.145581|0.098294|0.110976|0.500000| |1.873569|2.187034|2.406462|3.974268|3.306064|5.309051|5.760665|4.566215|6.880331|12.303372|7.207510|4.653452|17.707287|8.934037|7.289071|4.633483|0.113057|5.458555|4.186889|6.044422|7.716113|4.807825|3.926088|3.948822|3.170551|2.739630|2.744258|3.217903|3.984353|2.305166|2.104463|2.292004|7.515979|16.212570|8.880412|4.178048|3.192834|0.049029|0.051205|0.049706|0.063251|0.060419|0.062419|0.065811|0.081825|0.112908|0.109155|0.170868|0.201210|0.182651|0.212473|0.112980|0.114195|0.305227|0.500000| |1.452768|1.641125|1.698314|2.642537|2.002125|3.236077|3.150111|2.345311|2.622252|4.402825|3.123521|2.690697|3.649451|5.142482|5.730805|9.100174|0.219262|26.004551|9.761411|14.343177|8.138799|4.375444|3.876851|7.006057|5.712747|4.298051|3.830880|4.182020|5.436252|2.986628|2.844021|2.552636|4.181494|6.012690|7.310054|3.176864|3.014837|0.039243|0.038648|0.039390|0.046369|0.047616|0.045734|0.044778|0.057566|0.066988|0.057917|0.071668|0.067652|0.100952|0.078940|0.070509|0.078715|0.094431|0.092258|0.500000| |1.736630|1.993390|2.227622|3.602726|3.037763|5.002897|5.210536|4.701164|6.014792|9.902925|4.833343|4.045928|7.825132|7.216215|4.807859|3.977741|0.092905|5.890378|5.792866|9.235142|12.435687|17.744018|8.899981|3.484131|2.782904|2.471846|2.559773|3.087080|3.764174|2.187446|2.132629|2.100987|3.779654|6.493756|5.476560|2.584989|2.232384|0.045210|0.046795|0.047568|0.055153|0.056348|0.060807|0.059492|0.075500|0.142696|0.110220|0.195929|0.131716|0.128715|0.113221|0.092761|0.117252|0.271322|0.153109|0.101706|0.500000| |1.558410|1.763562|1.926246|3.036761|2.463497|4.080854|4.018786|3.381385|3.908015|6.284441|3.629228|3.185445|5.051626|5.822914|4.377420|4.117895|0.094771|6.735352|7.490182|14.026184|12.554815|17.650911|8.880102|3.717990|2.966721|2.650329|2.765135|3.359181|4.081146|2.351887|2.356825|2.193304|3.336754|5.461234|5.109615|2.392566|2.138807|0.041007|0.041794|0.042927|0.048647|0.050390|0.053042|0.051162|0.064439|0.103394|0.082431|0.119566|0.092311|0.103304|0.087259|0.076542|0.095119|0.156804|0.111087|0.120552|0.304376|0.500000| |1.814192|2.073523|2.319389|3.698931|3.048676|5.011215|4.999966|4.312764|4.366094|6.631290|3.929269|3.871851|4.294886|4.318343|3.368617|3.074717|0.076172|4.878795|4.704242|8.858784|7.548781|8.900041|17.528789|2.682499|2.269428|2.037264|2.066977|2.371329|2.759513|1.814090|1.807634|1.720108|2.784632|4.806232|4.264011|2.074984|1.850507|0.047126|0.048125|0.050680|0.055867|0.059871|0.065368|0.060416|0.079239|0.149317|0.102282|0.129960|0.097309|0.107089|0.090511|0.089705|0.124838|0.124186|0.096213|0.089824|0.217074|0.213545|0.500000| |1.764248|2.023124|2.193895|3.497600|2.757704|4.425622|4.487557|3.550215|3.685924|6.117208|3.925781|3.760254|4.173234|4.785532|3.837262|3.693534|0.091442|6.423143|6.627550|13.591277|9.222469|8.815879|17.633105|3.086535|2.595035|2.273427|2.256354|2.565518|3.054147|1.945652|1.933369|1.803818|3.035665|5.044432|4.705494|2.238395|2.013511|0.046457|0.046415|0.048948|0.055052|0.059323|0.061048|0.056605|0.076940|0.114105|0.084013|0.103427|0.085739|0.116175|0.089763|0.090140|0.123787|0.113268|0.094471|0.118504|0.174077|0.213959|0.301502|0.500000| |2.046898|2.410399|2.691100|4.495771|3.677152|5.705915|6.454689|5.221010|5.330453|9.488989|5.752696|5.606280|5.457795|5.572002|4.179482|3.634846|0.090884|5.749219|5.427622|9.153385|9.319428|8.831110|17.622463|2.971293|2.486035|2.168370|2.148121|2.445788|2.928867|1.853974|1.806083|1.755227|3.402179|5.899379|5.042683|2.416853|2.108570|0.053139|0.053825|0.056431|0.065573|0.070316|0.074184|0.068937|0.099373|0.176049|0.114313|0.142198|0.115319|0.161344|0.120960|0.123004|0.196428|0.141160|0.117924|0.101428|0.211643|0.173841|0.301283|0.299393|0.500000| |1.308594|1.459770|1.488419|2.275001|1.707951|2.798209|2.620255|1.920883|2.169281|3.463401|2.550076|2.176537|2.957408|3.708433|4.808071|7.026031|0.230170|7.267473|3.958637|6.071977|4.739533|2.765896|2.446551|8.929669|17.695484|8.935739|5.631009|4.977850|5.670786|4.087119|3.386243|3.389049|4.517239|6.307576|10.156870|4.529596|5.046194|0.035677|0.035257|0.035059|0.042040|0.041676|0.039528|0.039966|0.048658|0.052761|0.048782|0.058806|0.059160|0.079843|0.069594|0.059108|0.060340|0.076633|0.082854|0.155396|0.071581|0.075497|0.060218|0.069597|0.067003|0.500000| |1.132859|1.244942|1.273708|1.915883|1.447956|2.416696|2.187114|1.630035|1.830308|2.803442|2.013079|1.757677|2.379040|2.793268|3.297411|4.092586|0.115179|4.780637|2.961503|4.821704|3.669313|2.286010|2.016167|5.637096|8.939281|17.698642|8.925394|5.670562|4.975765|6.995486|5.001810|5.005493|3.180586|4.793171|6.665328|3.352937|3.837370|0.030884|0.030745|0.030490|0.035686|0.035268|0.034055|0.034524|0.040449|0.044842|0.042194|0.050680|0.050332|0.060549|0.055474|0.047535|0.048594|0.064401|0.067025|0.102723|0.060439|0.064445|0.051156|0.056916|0.054354|0.217074|0.500000| |1.180164|1.301376|1.371549|2.082534|1.630707|2.760864|2.510571|1.970870|2.302058|3.459029|2.287293|1.959673|3.111011|3.552342|3.750857|4.075175|0.096689|5.015792|3.599743|5.872328|4.819835|3.125873|2.526297|5.641267|4.979126|5.670684|8.883278|17.710078|8.985990|6.915313|6.296145|6.290810|3.331704|5.176275|5.968164|2.875226|2.783114|0.031668|0.032218|0.031992|0.036903|0.036537|0.036970|0.037439|0.043365|0.054586|0.051209|0.066993|0.062581|0.066169|0.062180|0.051010|0.054109|0.091821|0.085307|0.099127|0.085348|0.092891|0.065169|0.068665|0.065558|0.107939|0.124215|0.500000| |1.381118|1.550655|1.648764|2.565195|2.028820|3.370363|3.231636|2.556999|3.109809|4.996291|3.179960|2.593463|4.909492|6.423292|6.629338|6.888760|0.140184|8.135016|6.047495|8.695550|8.599122|4.869105|3.572569|8.890857|5.671211|4.977015|5.630946|8.977277|17.713655|4.079980|3.723341|3.723725|4.959792|7.238978|8.067505|3.511654|3.151146|0.036851|0.037478|0.037347|0.043999|0.043745|0.044231|0.044624|0.053888|0.070956|0.064415|0.089990|0.082417|0.093908|0.084184|0.066054|0.071822|0.143773|0.127898|0.143162|0.129829|0.139929|0.087730|0.095083|0.092125|0.124261|0.107908|0.218659|0.500000| |1.030501|1.122765|1.156398|1.724753|1.314592|2.223692|1.970774|1.491460|1.671582|2.491406|1.752488|1.548730|2.105512|2.373661|2.646867|3.040604|0.081529|3.732462|2.484151|4.165735|3.169504|2.063175|1.811508|3.993150|4.834659|7.461343|9.019076|5.601186|4.204133|17.531741|8.952022|8.952181|2.551622|4.010982|5.033533|2.617825|2.855958|0.028015|0.028116|0.027854|0.032025|0.031621|0.031093|0.031551|0.036075|0.041114|0.039102|0.047098|0.046107|0.051428|0.048400|0.041594|0.042765|0.058796|0.059213|0.078795|0.055479|0.059357|0.046942|0.050663|0.048322|0.115280|0.230875|0.139894|0.096589|0.500000| |1.031087|1.123031|1.172901|1.752388|1.355791|2.311845|2.043871|1.587066|1.787099|2.632774|1.784393|1.583991|2.234916|2.495030|2.611060|2.904578|0.073391|3.793854|2.712111|4.704042|3.490210|2.364288|2.025303|3.703129|3.757124|4.669945|6.718865|6.485265|4.534014|8.736740|17.547809|6.793385|2.387403|3.807014|4.384013|2.212777|2.242788|0.027822|0.028140|0.028077|0.031718|0.031606|0.031823|0.032004|0.036514|0.044337|0.041720|0.051726|0.048544|0.051568|0.048471|0.041744|0.044152|0.064962|0.061077|0.079284|0.063711|0.071005|0.053297|0.056368|0.052538|0.087639|0.116816|0.213066|0.112825|0.173716|0.500000| |0.960548|1.040317|1.078236|1.598806|1.226380|2.094005|1.829732|1.404098|1.561194|2.286705|1.579999|1.417230|1.907383|2.107056|2.236022|2.489681|0.065135|3.230473|2.264310|3.934073|2.906965|1.970573|1.733885|3.090679|3.335025|4.273859|5.485184|4.580296|3.478239|8.783281|17.540435|6.890002|2.104449|3.386375|3.949513|2.049529|2.139104|0.026036|0.026239|0.026131|0.029441|0.029272|0.029230|0.029458|0.033309|0.039081|0.037090|0.044715|0.042724|0.045720|0.043243|0.037750|0.039418|0.054579|0.052723|0.068242|0.053175|0.058142|0.045751|0.048508|0.045556|0.081049|0.117719|0.133925|0.085984|0.215530|0.301835|0.500000| |1.017594|1.107883|1.147425|1.711548|1.310421|2.220879|1.969111|1.508088|1.678375|2.502534|1.727994|1.543656|2.094645|2.387878|2.552196|2.967409|0.076941|3.928036|2.713784|4.752071|3.362814|2.240698|1.961340|3.789390|4.148889|5.409944|6.897000|5.576147|4.226414|8.757383|17.560359|5.473449|2.329234|3.670281|4.376631|2.205493|2.295176|0.027584|0.027664|0.027701|0.031313|0.031345|0.031121|0.031159|0.035897|0.042247|0.039452|0.047930|0.045444|0.050625|0.046773|0.041006|0.043289|0.059520|0.057103|0.085210|0.059218|0.066723|0.051165|0.055598|0.051099|0.098572|0.143780|0.151235|0.101083|0.213417|0.301733|0.301062|0.500000| |1.061022|1.156951|1.209885|1.809735|1.405431|2.403666|2.118363|1.641270|1.879530|2.737188|1.864783|1.630189|2.371605|2.560127|2.742279|2.894049|0.073884|3.527909|2.484948|4.125552|3.365665|2.248782|1.915522|3.703669|3.758048|4.671574|6.719053|6.482877|4.533908|8.737040|6.793270|17.547098|2.658390|4.301965|4.958508|2.585212|2.619326|0.028603|0.029150|0.028699|0.032947|0.032281|0.032548|0.033302|0.037408|0.044938|0.043429|0.054118|0.052338|0.053333|0.051904|0.043169|0.044526|0.068808|0.067399|0.070816|0.062578|0.065098|0.050303|0.052092|0.050858|0.087709|0.116885|0.212813|0.112848|0.173719|0.200384|0.168875|0.139042|0.500000| |1.065867|1.162567|1.205564|1.801325|1.385858|2.358107|2.081123|1.585956|1.807995|2.653285|1.851782|1.615205|2.286318|2.482732|2.761298|2.948608|0.077866|3.479086|2.367865|3.878246|3.184973|2.084836|1.804677|3.789522|4.150087|5.412901|6.895244|5.571996|4.225230|8.756720|5.473208|17.558101|2.786085|4.482502|5.452531|2.932519|3.114809|0.028860|0.029284|0.028696|0.033316|0.032441|0.032251|0.033185|0.037314|0.043101|0.041883|0.051130|0.050813|0.053435|0.052121|0.043280|0.043864|0.064520|0.066179|0.070058|0.057739|0.059106|0.047001|0.049291|0.048628|0.098720|0.143971|0.151046|0.101089|0.213430|0.139032|0.140811|0.122482|0.301682|0.500000| |0.983772|1.066172|1.105765|1.640493|1.261485|2.159157|1.880754|1.439931|1.619566|2.351766|1.633053|1.448885|1.987311|2.144455|2.313894|2.483136|0.065464|3.066521|2.131083|3.586753|2.836075|1.904303|1.665656|3.090798|3.335375|4.274611|5.484782|4.579302|3.478048|8.782676|6.890098|17.540681|2.276328|3.707842|4.338406|2.323222|2.445116|0.026650|0.027024|0.026613|0.030382|0.029787|0.029769|0.030425|0.033960|0.039476|0.038234|0.046181|0.045152|0.046894|0.045543|0.038757|0.039673|0.056722|0.056486|0.062777|0.052532|0.054865|0.043874|0.045786|0.044482|0.081096|0.117773|0.133865|0.085992|0.215501|0.168897|0.207208|0.140810|0.301847|0.301071|0.500000| |1.536106|1.732701|1.783448|2.755633|2.096055|3.442414|3.221246|2.319486|2.730668|4.189116|3.225594|2.608363|3.662951|3.796799|4.778018|4.155621|0.120167|4.328816|2.828380|4.276585|4.119186|2.531108|2.242636|4.084394|3.906782|3.424328|3.159625|3.262463|3.668861|2.672459|2.249845|2.719178|7.266085|13.066795|16.538713|17.624228|8.815168|0.041549|0.042228|0.040259|0.051415|0.047952|0.045981|0.049176|0.057242|0.059866|0.059795|0.071301|0.081077|0.094971|0.099546|0.072291|0.066782|0.091141|0.121460|0.079740|0.071656|0.065273|0.056433|0.059534|0.064812|0.108324|0.087577|0.081509|0.097237|0.071974|0.061840|0.057069|0.060232|0.075116|0.085176|0.066581|0.500000| |1.680689|1.917285|1.938879|3.016559|2.237542|3.601975|3.429058|2.378290|2.722333|4.279993|3.528190|2.876784|3.539742|3.754218|4.766993|4.209795|0.131365|4.481262|2.868797|4.334195|4.107608|2.506194|2.295338|3.762384|3.636013|3.068372|2.743641|2.804147|3.214739|2.328184|2.012206|2.291168|7.245255|13.125196|16.523603|17.621749|8.807835|0.045775|0.045817|0.043709|0.057556|0.053512|0.049516|0.052876|0.063647|0.061448|0.060568|0.069235|0.079751|0.108218|0.109378|0.082336|0.073448|0.084956|0.113434|0.082655|0.069684|0.063701|0.057181|0.061593|0.067661|0.107369|0.079939|0.069820|0.085762|0.063655|0.055050|0.051204|0.055056|0.062795|0.069842|0.057020|0.302602|0.500000| |1.387942|1.541199|1.547952|2.336806|1.731282|2.855108|2.585571|1.835575|2.060454|3.122570|2.438322|2.095269|2.577093|2.765581|3.381881|3.368565|0.104450|3.690575|2.355812|3.681825|3.238535|2.028930|1.856341|3.407155|3.682021|3.341282|2.906954|2.771419|2.955651|2.550700|2.135417|2.540106|4.272026|7.163332|10.217983|8.898460|17.554883|0.038106|0.038012|0.036414|0.045726|0.043007|0.040139|0.042458|0.048966|0.048308|0.047732|0.054233|0.059725|0.072934|0.072636|0.059319|0.055000|0.065553|0.079340|0.071545|0.056029|0.053405|0.047076|0.050608|0.053233|0.110786|0.092197|0.068683|0.075349|0.072262|0.056887|0.055070|0.057944|0.067108|0.080166|0.063800|0.212046|0.211229|0.500000| 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