Version2.1 2021-01-20T14:04:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 02-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)[C@H](CNC(=O)CN2C(=O)C3(CCC(CC3)C(C)(C)C)NC2=O)[NH+](C)C C60155896 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)[C@H](CNC(=O)CN2C(=O)C3(CCC(CC3)C(C)(C)C)NC2=O)[NH+](C)C C01[X(C25H39N4O3)] 207 C1 558 O=C(CN1C(=O)NC2(C1=O)CCC(CC2)C(C)(C)C)NC[C@@H](c1ccc(cc1)C)[NH+](C)C O=C(CN1C(=O)NC2(C1=O)CCC(CC2)C(C)(C)C)NC[C@@H](c1ccc(cc1)C)[NH+](C)C C[NH+](C)[C@@H](CNC(=O)CN1C(=O)NC2(CCC(CC2)C(C)(C)C)C1=O)c3ccc(C)cc3 InChIKey=ZCOWZWSPHGNPTI-CMAULLTDSA-O InChI=1S/C25H38N4O3/c1-17-7-9-18(10-8-17)20(28(5)6)15-26-21(30)16-29-22(31)25(27-23(29)32)13-11-19(12-14-25)24(2,3)4/h7-10,19-20H,11-16H2,1-6H3,(H,26,30)(H,27,32)/p+1/t19?,20-,25?/m0/s1 InChI=1/C25H38N4O3/c1-17-7-9-18(10-8-17)20(28(5)6)15-26-21(30)16-29-22(31)25(27-23(29)32)13-11-19(12-14-25)24(2,3)4/h7-10,19-20H,11-16H2,1-6H3,(H,26,30)(H,27,32)/p+1/t19?,20-,25?/m0/s1/fC25H39N4O3/h26-28H/q+1 Cc1ccc(cc1)[C@H](CNC(=O)CN2C(=O)C3(CCC(CC3)C(C)(C)C)NC2=O)[NH+](C)C C01[X(C25H39N4O3)] 207 C01 558 O=C(CN1C(=O)NC2(C1=O)CCC(CC2)C(C)(C)C)NC[C@@H](c1ccc(cc1)C)[NH+](C)C O=C(CN1C(=O)N[C@@]2(C1=O)CC[C@H](CC2)C(C)(C)C)NC[C@@H]([C]1[CH][CH][C]([CH][CH]1)C)[NH](C)C C[C]1[CH][CH][C]([CH][CH]1)[C@H](CNC(=O)CN2C(=O)N[C@]3(CC[C@H](CC3)C(C)(C)C)C2=O)[NH](C)C InChIKey=JAGKPTASSOLSJH-ZYLNGJIFSA-N InChI=1S/C25H39N4O3/c1-17-7-9-18(10-8-17)20(28(5)6)15-26-21(30)16-29-22(31)25(27-23(29)32)13-11-19(12-14-25)24(2,3)4/h7-10,19-20,28H,11-16H2,1-6H3,(H,26,30)(H,27,32)/t19-,20-,25+/m0/s1 InChI=1/C25H39N4O3/c1-17-7-9-18(10-8-17)20(28(5)6)15-26-21(30)16-29-22(31)25(27-23(29)32)13-11-19(12-14-25)24(2,3)4/h7-10,19-20,28H,11-16H2,1-6H3,(H,26,30)(H,27,32)/t19-,20-,25+/m0/s1/f/h26-27H 3368.3063319140 -1411.6982993 1-A 21735.5315 120 438 558 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3.5131 7.6622 65.0857 2.8728 5.9185 16.0666 35.7626 8.6091 18.7485 0.1594 23.6594 183.5014 265.5497 36.4909 144.2075 72.2853 5.9427 22.5959 6.5843 14.7081 7.7445 11.5384 105.4321 174.4270 122.3770 151.6742 143.2551 29.7784 89.8182 105.3131 60.3162 40.9872 60.0813 28.0687 17.9473 92.7737 49.4928 115.4358 59.4129 49.3662 143.8755 33.2635 26.1286 32.5983 43.4865 0.7459 0.7474 0.7062 0.7480 0.7391 0.6411 0.7281 0.7493 0.6817 0.7377 0.7493 0.7405 0.7434 0.7090 0.6916 0.1785 0.3026 0.6438 0.3848 0.6015 0.0851 0.7373 0.5789 0.2441 0.6626 0.6859 0.6351 0.7432 0.3587 0.5321 0.6750 0.3077 0.7495 0.7488 0.5252 0.7422 0.3739 0.6820 0.7259 0.1922 0.6496 0.4749 0.7500 0.7383 0.7460 0.1110 0.2229 0.2322 0.0818 0.7311 0.2973 0.2019 0.4739 0.7112 0.1683 0.0962 0.4676 0.4690 0.5211 0.0416 0.2052 0.6543 0.5827 0.0602 0.0609 0.6232 0.0555 0.3241 0.1637 0.2093 0.0717 0.6514 0.6058 0.2010 0.3767 0.7083 0.7499 0.7485 0.7498 0.1870 0.7034 0.7454 0.5598 0.6530 0.6510 0.6102 0.7465 0.5764 0.6940 0.7500 0.6540 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0.7388 0.8302 0.0767 0.0920 0.0463 0.8026 0.0541 0.1343 0.8567 0.7052 0.7392 0.8498 0.2363 0.7550 0.8571 0.7919 0.8549 0.0682 0.6408 0.6353 0.1743 0.4522 0.8565 0.7771 0.4585 0.4644 0.8541 0.6798 0.8440 0.4375 0.7728 0.7490 0.2853 0.8454 0.3841 0.3588 0.3570 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 6 6 6 6 6 6 6 6 1 6 7 6 8 6 7 6 8 6 6 6 6 6 6 6 6 6 6 7 6 8 7 1 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 1.00783 12.00000 12.00000 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 7352.0247 33630.1407 34838.2842 0.99998 -0.00543 0.00283 0.00521 0.99736 0.07236 -0.00322 -0.07235 0.99737 1 0.01178 0.00258 0.00249 0.24548 0.05366 0.05180 20.41 23.16 28.96 33.54 38.82 47.81 68.67 76.71 82.23 93.03 114.32 121.76 139.65 201.53 225.42 244.08 255.69 258.94 279.78 292.84 309.61 331.34 355.93 372.66 381.71 401.78 404.50 427.14 446.87 461.59 481.97 501.33 505.02 525.04 538.65 552.56 570.79 587.74 594.97 606.46 620.57 660.00 670.63 674.16 692.65 705.33 717.78 731.13 753.86 763.19 781.94 836.99 851.95 880.09 935.53 968.25 1003.23 1010.30 1096.13 1116.24 1143.48 1157.40 1165.14 1191.50 1211.65 1239.15 1259.51 1279.44 1282.38 1312.55 1365.73 1392.50 1394.81 1408.06 1432.49 1438.74 1457.91 1464.19 1465.67 1502.92 1506.55 1517.73 1538.84 1560.62 1569.78 1572.25 1599.04 1602.40 1606.07 1616.69 1618.69 1635.80 1649.03 1654.41 1677.77 1694.30 1700.59 1725.81 1740.82 1761.99 1790.51 1816.45 1823.85 1846.18 1863.59 1883.03 1888.19 1897.26 1900.42 1914.73 1930.85 1946.12 1951.79 1960.75 1975.50 2000.63 2003.30 2032.75 2047.85 2063.55 2109.21 2109.77 2123.78 2147.20 2155.14 2166.20 2177.12 2196.85 2198.87 2232.72 2236.59 2243.89 2244.72 2247.46 2253.22 2258.44 2271.81 2274.72 2284.01 2287.76 2297.08 2322.25 2337.55 2340.46 2341.71 2343.74 2345.66 2347.19 2353.43 2355.38 2356.26 2362.80 2363.54 2364.38 2365.33 2371.28 2380.34 2386.65 2392.41 2401.63 2405.17 2436.79 2451.78 2544.93 2615.32 2810.90 2816.42 2940.21 4556.09 4598.39 4603.88 4606.65 4615.97 4624.16 4626.00 4632.18 4637.85 4684.85 4691.66 4695.52 4696.67 4698.77 4701.14 4701.68 4706.34 4707.48 4709.97 4710.38 4714.95 4731.52 4731.80 4734.73 4746.93 4770.84 4779.30 4791.26 4835.04 4840.35 4851.29 4853.86 4856.79 4872.20 4880.73 4884.70 5345.56 5585.53 5630.06 0.673169 0.704588 0.705532 0.606273 -1411.025131 -1410.993711 -1410.992767 -1411.092026 3.329163D-04 MUNgauss RevisionA2.0 retrievium 20-Jan-2021 DUDE Cc1ccc(cc1)[C@H](CNC(=O)CN2C(=O)C3(CCC(CC3)C(C)(C)C)NC2=O)[NH+](C)C C60155896 RHF 6-31G(d) (6D,10F) C1 443.302216 |X|Y|Z| 43.708195 50.686064 131.361568 66.268416 21 6 7 18 3 |36.858105| |12.617715|36.858105| |7.532834|13.743843|36.858105| |4.998859|7.873659|13.713068|36.858105| |4.410365|6.780244|7.913722|13.744020|36.858105| |5.019734|7.889580|6.910020|7.961104|13.646380|36.858105| |7.555144|13.645843|7.987102|6.889824|7.899664|13.816035|36.858105| |3.265730|4.406095|5.022125|7.584282|12.581854|7.505682|5.005655|36.858105| |3.033668|3.973393|4.798448|7.374947|8.910358|5.577122|4.187774|17.662987|0.500000| |2.899758|3.728603|4.025639|5.338768|7.491090|6.036107|4.301227|12.314046|0.247589|36.858105| |2.813532|3.537435|3.968483|5.165834|6.081776|4.832241|3.810455|7.842730|0.211096|13.225575|53.358707| |2.467196|3.008949|3.454075|4.427745|4.771671|3.779906|3.120003|6.238445|0.200239|7.927203|19.120170|36.858105| |2.263243|2.734707|3.111844|3.972277|4.347968|3.474229|2.856472|6.078508|0.205357|7.077080|11.598526|15.869131|73.516695| |2.337830|2.762112|3.191665|3.857422|3.826041|3.152247|2.756919|4.389684|0.138537|5.049088|10.627583|12.529313|14.184468|36.858105| |2.195152|2.556254|3.007208|3.597540|3.417268|2.798958|2.493659|3.872872|0.128157|4.035006|7.272701|7.855810|12.157108|13.274022|53.358707| |1.901057|2.161012|2.483037|2.868965|2.754195|2.335494|2.113676|3.090448|0.099171|3.227929|5.439267|5.404136|9.326809|7.636096|18.854607|36.858105| |1.756184|1.976092|2.222121|2.526223|2.474109|2.149715|1.953473|2.767911|0.086028|2.985384|4.987532|4.775929|8.233828|6.563970|11.366553|16.051985|73.516695| |1.832491|2.063024|2.389294|2.729273|2.562155|2.172604|1.990258|2.827975|0.091735|2.805552|4.471001|4.176122|7.573780|5.103059|11.109718|12.488033|13.909057|36.858105| |1.658044|1.858890|2.116633|2.413503|2.322767|1.994690|1.818456|2.611930|0.083983|2.587781|3.954328|3.638999|7.055974|4.043209|7.559883|7.577216|11.072189|12.418004|36.858105| |1.566064|1.734062|1.968883|2.204840|2.098080|1.820491|1.682133|2.308284|0.073448|2.231985|3.317352|2.912980|5.583965|3.143884|5.524577|4.902014|7.543555|7.489856|12.432603|36.858105| |1.490110|1.626434|1.836989|2.013075|1.896169|1.667116|1.563991|2.035377|0.063640|1.982459|2.966694|2.544576|4.705572|2.826283|4.856856|4.334632|6.941292|6.332526|7.470127|12.366846|36.858105| |1.617143|1.763050|2.013921|2.194135|2.026567|1.771723|1.673697|2.139989|0.067094|2.081235|3.176716|2.718715|4.868109|3.137021|5.540299|4.900631|7.529359|7.490988|6.478788|7.608065|12.367449|36.858105| |1.719188|1.894738|2.172940|2.399148|2.226189|1.930607|1.807617|2.373981|0.074793|2.359441|3.720907|3.278084|5.748260|4.028081|7.599009|7.570769|11.026923|12.417615|7.572891|6.478266|7.470700|12.433284|36.858105| |1.384650|1.494766|1.674590|1.809203|1.703200|1.514746|1.434091|1.806635|0.055837|1.742947|2.558624|2.139218|3.954583|2.316878|3.812367|3.210406|5.258536|4.235014|4.808247|7.306194|12.195780|7.306793|4.808614|36.858105| |1.281730|1.383381|1.533623|1.660017|1.586912|1.421838|1.340960|1.698519|0.052117|1.647149|2.386641|1.987884|3.730031|2.108772|3.387922|2.840290|4.777594|3.550392|4.307042|6.248420|7.510015|4.837235|3.750223|12.369278|36.858105| |1.308947|1.397746|1.554321|1.655362|1.555471|1.398374|1.336642|1.628513|0.049712|1.584176|2.333049|1.923245|3.494019|2.106705|3.391462|2.840090|4.774312|3.550495|3.750232|4.837236|7.510477|6.247788|4.307459|12.369323|7.676817|36.858105| |1.446004|1.558076|1.756181|1.889161|1.758419|1.559111|1.482999|1.847647|0.057303|1.746906|2.537134|2.097292|3.875559|2.233906|3.653806|2.935508|4.695862|3.834163|4.146951|6.025070|7.374882|6.027271|4.147569|12.384507|7.623234|7.623635|36.858105| |2.078520|2.375750|2.837780|3.313585|3.009916|2.475505|2.258975|3.300954|0.111224|3.123280|4.954285|4.593982|8.256627|5.346232|11.840565|8.313638|9.800999|13.032226|7.647817|6.083286|5.057102|6.083517|7.645388|3.790884|3.176875|3.176673|3.771299|53.358707| |2.351633|2.761380|3.369242|4.110171|3.707341|2.942300|2.633471|4.125525|0.143990|3.914077|6.568572|6.416722|10.742796|7.700269|18.718040|8.323972|9.882797|8.112553|5.547774|4.377874|3.764238|4.371728|5.533800|2.994984|2.610484|2.609044|2.991865|19.349529|36.858105| |2.729665|3.306161|4.235236|5.486711|4.664624|3.504572|3.104405|5.062702|0.186036|4.447757|7.301825|6.514800|10.552971|6.708576|11.336940|5.549626|7.498881|5.412960|4.223412|3.597220|3.146436|3.582143|4.198114|2.631795|2.324780|2.320565|2.707424|11.289188|15.833319|73.516695| |2.913558|3.753216|4.035751|5.353945|7.621642|6.149007|4.353640|12.414592|0.255293|7.425360|6.893982|4.497815|8.597225|3.379391|4.257349|2.637627|4.266644|2.485876|2.389138|2.159797|1.892422|1.945409|2.106716|1.708226|1.631867|1.533991|1.757434|3.873578|3.341256|6.930571|53.358707| |3.017942|3.878351|3.937028|4.927353|7.238191|6.960189|4.776721|9.171549|0.182565|6.702474|6.193409|3.894006|7.183186|3.022589|3.759771|2.361512|3.877139|2.218786|2.131266|1.940888|1.724331|1.774525|1.915503|1.568406|1.502448|1.421792|1.610847|3.402761|2.899620|5.927602|25.742710|0.500000| |2.377192|2.914018|3.110146|3.908207|4.943210|4.266875|3.286941|7.498752|0.191145|6.442471|6.315945|4.445860|9.316600|3.302667|4.199208|2.677823|4.395061|2.511800|2.494718|2.234285|1.927258|1.940584|2.102415|1.734573|1.682351|1.546736|1.764594|3.801342|3.199824|6.278370|17.299771|0.258627|36.858105| |2.948346|3.736325|4.122703|5.310393|6.413491|5.204333|4.082623|7.637330|0.203546|4.913768|5.336143|3.696752|7.065748|2.973268|3.940543|2.479980|3.963334|2.429814|2.350874|2.186657|1.914021|1.962628|2.077535|1.751866|1.670528|1.564773|1.837352|3.866642|3.235215|6.806442|17.327398|0.260679|7.780057|36.858105| |17.556430|8.860021|5.887686|4.295399|3.959904|4.604522|6.718947|3.025509|0.077618|2.799394|3.739141|2.388677|3.861453|2.285012|2.882015|1.843007|3.056896|1.758237|1.589308|1.494251|1.429059|1.551778|1.659284|1.325738|1.229260|1.260334|1.373806|2.677068|2.224544|4.515437|3.654557|0.077759|2.233279|2.643348|0.500000| |17.557099|8.857239|5.864781|4.287723|3.959208|4.606049|6.738394|3.022118|0.077726|2.669368|3.452316|2.246413|3.727504|2.110945|2.719011|1.750030|2.885402|1.698662|1.556474|1.480489|1.406510|1.512572|1.593944|1.316578|1.226182|1.243980|1.378879|2.608404|2.140054|4.373305|3.823897|0.081966|2.302935|2.894511|0.302284|0.500000| |17.598763|8.842313|7.225333|4.734755|3.947519|4.170353|5.568158|3.017748|0.080227|2.675580|3.618209|2.385486|3.893351|2.307208|2.999284|1.915663|3.130524|1.866725|1.678018|1.596361|1.530090|1.673738|1.768897|1.426415|1.311641|1.353071|1.497959|2.897900|2.387828|4.925434|3.654464|0.075640|2.224377|2.764977|0.301751|0.301719|0.500000| |6.969600|8.927260|17.721448|8.949140|5.648262|4.971650|5.661762|4.105889|0.114461|3.407746|4.738355|3.161334|5.088731|3.043278|4.019870|2.465255|3.901711|2.415045|2.118788|1.994428|1.883031|2.089753|2.234498|1.724871|1.564799|1.609043|1.823337|3.934120|3.367032|7.468131|4.635736|0.091147|2.738410|3.566306|0.152278|0.151333|0.221276|0.500000| |4.084672|5.626297|8.919910|17.716866|8.909589|5.647905|4.960904|7.034652|0.227293|5.048447|7.109971|4.861963|7.803174|4.326229|5.749089|3.279796|4.989385|3.168802|2.749333|2.501820|2.263992|2.493194|2.737486|2.013651|1.827924|1.824442|2.113949|5.482827|5.166384|13.582462|6.831123|0.121883|3.868705|5.147651|0.099626|0.099318|0.112922|0.216820|0.500000| |4.107998|5.638156|4.967162|5.635782|8.823671|17.656870|9.001618|6.893971|0.139326|6.231521|6.320622|3.616758|6.027818|2.969786|3.558007|2.215195|3.675461|2.047081|1.906633|1.735905|1.585934|1.668119|1.817355|1.443312|1.366720|1.333127|1.476470|3.116000|2.688265|5.525932|8.636302|0.223794|4.552388|4.963762|0.108918|0.108822|0.096149|0.107772|0.123642|0.500000| |7.015521|8.891485|5.664370|4.960266|5.634295|8.965084|17.710580|4.086347|0.096256|3.712371|4.481902|2.732072|4.491414|2.441523|3.009825|1.907637|3.171985|1.797068|1.656528|1.539224|1.438710|1.531473|1.646715|1.327038|1.247537|1.243376|1.368489|2.732906|2.303117|4.709191|5.111661|0.117341|2.959208|3.517749|0.190694|0.191646|0.140557|0.124229|0.107650|0.218677|0.500000| |2.509032|3.112050|3.320018|4.219157|5.496533|4.713199|3.546786|8.682330|0.203207|17.709406|12.743580|7.433034|13.835261|4.713823|5.254800|3.199318|5.351242|2.774399|2.633702|2.256257|1.982165|2.045349|2.312535|1.741650|1.665216|1.575509|1.733208|4.102479|3.668605|7.079192|9.637345|0.175625|7.635247|4.659734|0.067483|0.065258|0.064861|0.080344|0.114622|0.140664|0.088006|0.500000| |3.050188|3.916813|3.988071|4.966286|7.128412|6.850700|4.782957|8.725999|0.174812|17.627674|12.565243|5.808876|9.127130|4.232559|4.639358|2.806110|4.702849|2.458316|2.271667|1.988417|1.794486|1.886877|2.122873|1.594031|1.509753|1.464192|1.598039|3.672180|3.292237|6.577624|8.571852|0.180223|5.351325|4.349147|0.083338|0.078061|0.076490|0.092494|0.123234|0.215943|0.117310|0.302458|0.500000| |3.069640|3.869172|4.338884|5.453182|6.072658|4.991619|4.091694|6.539986|0.172884|9.043139|26.060742|9.341189|10.896669|7.402278|6.873155|3.790390|6.207547|3.134188|2.713404|2.306532|2.104978|2.290871|2.687634|1.823524|1.687594|1.681447|1.811956|4.733742|4.591545|9.196265|5.936887|0.112845|3.861004|3.541731|0.084401|0.075287|0.080544|0.105616|0.149008|0.128828|0.097562|0.182371|0.224994|0.500000| |2.106460|2.440285|2.738816|3.206530|3.247595|2.786924|2.463286|3.707955|0.112570|4.409100|8.627659|8.936704|11.977997|17.610562|12.709438|7.460211|13.648143|4.740492|3.913974|3.013569|2.742165|2.993851|3.870553|2.245629|2.068090|2.061777|2.124669|6.152776|5.717753|8.742324|4.073627|0.075710|3.013790|2.626109|0.057814|0.053281|0.057594|0.072754|0.096874|0.074581|0.061779|0.119939|0.106538|0.167144|0.500000| |2.552325|3.013782|3.506284|4.145412|3.980312|3.310128|2.955655|4.257612|0.129851|4.819883|10.201636|8.810767|10.449207|17.596274|12.482904|5.981515|9.391307|4.412089|3.466320|2.820900|2.614136|2.966592|3.749019|2.180449|1.968394|2.015514|2.123807|6.482795|6.708930|11.459099|4.383928|0.081560|3.031088|2.861099|0.069863|0.062988|0.070267|0.093481|0.127514|0.085032|0.072312|0.118649|0.117586|0.235957|0.301094|0.500000| |1.704249|1.931375|2.198657|2.551773|2.496546|2.125030|1.909483|2.888070|0.094162|2.851524|4.296004|4.038054|8.300673|4.228849|7.689661|6.929054|10.172338|8.843061|17.546699|8.799446|5.457428|4.854668|5.512680|3.999451|3.771406|3.169292|3.649523|9.708129|5.707494|7.921283|3.630960|0.065242|2.847711|2.611169|0.045229|0.044566|0.047560|0.060366|0.080794|0.056708|0.048185|0.081967|0.068435|0.079905|0.112412|0.098023|0.500000| |1.551316|1.727506|1.940689|2.190504|2.133282|1.860061|1.700799|2.391996|0.075302|2.427389|3.715669|3.383767|6.493399|3.806027|6.716412|7.104022|12.183783|8.941629|17.560318|8.830704|6.765727|5.707023|6.867577|4.491797|4.210038|3.672978|3.687088|7.654368|4.541858|6.351080|2.991720|0.055088|2.315529|2.134352|0.041616|0.040513|0.043477|0.053782|0.068085|0.049811|0.043371|0.069244|0.059847|0.071085|0.107460|0.090796|0.302801|0.500000| |1.650747|1.834028|2.102770|2.364031|2.224323|1.912865|1.767991|2.437986|0.078489|2.299561|3.381175|2.943776|5.659816|3.109529|5.455830|4.497560|6.707830|6.731668|8.841337|17.509258|8.775000|6.825445|5.671641|6.615630|5.518630|4.432910|6.658427|9.026546|4.643713|6.966612|3.118301|0.056800|2.345283|2.366848|0.043406|0.043402|0.046898|0.059442|0.075421|0.050319|0.044708|0.064078|0.056691|0.065288|0.080646|0.078282|0.214437|0.173540|0.500000| |1.466297|1.618886|1.817589|2.029727|1.958867|1.716315|1.583576|2.167904|0.068240|2.105130|3.076556|2.672322|5.203172|2.810000|4.726979|4.107452|6.642549|5.508140|8.950652|17.601405|8.757794|5.509823|4.860361|6.742156|7.122910|4.510394|5.485811|6.357623|3.653454|5.527606|2.814878|0.051825|2.174084|2.094294|0.038919|0.038746|0.041330|0.050817|0.063122|0.045848|0.040491|0.059841|0.052325|0.059068|0.075952|0.069973|0.215322|0.216098|0.304890|0.500000| |1.413454|1.538734|1.721710|1.881744|1.791540|1.588163|1.489279|1.928622|0.059698|1.910479|2.868574|2.459491|4.537174|2.753802|4.638175|4.279853|7.256482|5.766785|6.969716|8.961523|17.474010|8.960203|6.970273|8.936628|7.065939|7.067472|5.475692|5.926078|3.418164|5.083038|2.442245|0.045667|1.841577|1.792453|0.037889|0.037075|0.040156|0.048753|0.058146|0.042236|0.038243|0.053398|0.048265|0.056550|0.076080|0.070486|0.141907|0.207053|0.174214|0.213962|0.500000| |1.714523|1.870584|2.161322|2.350556|2.135710|1.853904|1.757919|2.233261|0.070536|2.128237|3.225873|2.734732|4.887168|3.103427|5.473792|4.498155|6.699320|6.736033|5.673809|6.825395|8.772998|17.513081|8.845686|6.612866|4.432093|5.514966|6.657619|9.031796|4.637840|6.932338|2.761226|0.051231|1.998131|2.077775|0.045355|0.044516|0.049619|0.062952|0.075114|0.048090|0.044455|0.057580|0.053513|0.064817|0.080151|0.082575|0.126972|0.131763|0.200561|0.139566|0.174184|0.500000| |1.540292|1.659998|1.879567|2.015451|1.861255|1.647499|1.571541|1.940618|0.059978|1.898404|2.889234|2.425134|4.289368|2.801550|4.743892|4.105921|6.625563|5.508825|4.860433|5.509898|8.758197|17.603347|8.951792|6.743321|4.510212|7.122426|5.489226|6.358053|3.647372|5.498021|2.407850|0.045247|1.757541|1.782353|0.041255|0.040051|0.044438|0.054451|0.062815|0.043151|0.040178|0.051695|0.048363|0.058484|0.075250|0.075079|0.106991|0.127753|0.139582|0.122882|0.213904|0.304917|0.500000| |1.602601|1.757011|1.985108|2.179350|2.055493|1.806199|1.691610|2.200140|0.068282|2.230752|3.514374|3.079798|5.406686|3.792674|6.743700|7.096730|12.118917|8.938226|6.865014|5.705749|6.765201|8.829415|17.558574|4.491880|3.672539|4.210779|3.687402|7.651809|4.533423|6.322478|2.676325|0.050031|1.983894|1.918047|0.043283|0.041391|0.045569|0.056278|0.067841|0.047671|0.043135|0.061340|0.056186|0.070462|0.106250|0.097503|0.140687|0.204150|0.131710|0.127740|0.207039|0.173572|0.216087|0.500000| |1.822459|2.001401|2.309702|2.523024|2.303742|1.998639|1.888184|2.408313|0.075436|2.393276|3.826560|3.310895|5.603986|4.197569|7.755841|6.915080|10.104672|8.839507|5.511964|4.855105|5.459803|8.808321|17.546497|4.001344|3.170088|3.773230|3.651867|9.703887|5.680515|7.831485|2.864333|0.053416|2.063427|2.071719|0.048981|0.046564|0.052434|0.066686|0.080132|0.051842|0.047653|0.064106|0.060237|0.078453|0.110116|0.113579|0.123661|0.140689|0.126960|0.106998|0.141941|0.214768|0.215569|0.302668|0.500000| |1.240521|1.338869|1.477060|1.599718|1.540057|1.385117|1.304064|1.654651|0.050529|1.624941|2.364140|1.974391|3.702074|2.107160|3.362070|2.873421|4.958360|3.505101|4.315938|5.790003|6.974615|4.563700|3.728296|8.721380|17.532918|6.858088|5.504370|4.118562|2.523206|3.965078|2.159121|0.040680|1.645422|1.605757|0.033199|0.032935|0.035150|0.041684|0.048683|0.037142|0.033786|0.045847|0.041448|0.046402|0.058214|0.054406|0.104033|0.124491|0.133306|0.187680|0.216825|0.111016|0.120452|0.106053|0.086842|0.500000| |1.217009|1.304698|1.438733|1.544072|1.475537|1.331603|1.263162|1.566832|0.047719|1.515714|2.181158|1.793610|3.348137|1.891021|2.987252|2.455953|4.156167|2.983094|3.467380|4.666617|5.470209|4.009310|3.169687|8.784331|17.556901|7.181727|6.891965|3.733762|2.305539|3.715702|2.061185|0.038948|1.555436|1.557599|0.032433|0.032455|0.034648|0.040873|0.046928|0.035586|0.032767|0.042484|0.038844|0.043020|0.051507|0.049501|0.086688|0.094377|0.121495|0.142932|0.144919|0.105384|0.108302|0.086348|0.076912|0.302089|0.500000| |1.307879|1.419271|1.575112|1.717755|1.650300|1.473204|1.381351|1.782303|0.054936|1.718132|2.469088|2.064108|3.930612|2.153709|3.460321|2.869493|4.780683|3.583257|4.537865|6.797266|6.636784|4.406968|3.568204|8.673448|17.573546|5.520015|6.983884|4.453710|2.692467|4.282937|2.351628|0.043977|1.795696|1.777481|0.034731|0.034837|0.037059|0.044426|0.052632|0.039405|0.035644|0.048512|0.043529|0.048110|0.058378|0.055380|0.114737|0.119943|0.173088|0.244021|0.166780|0.116114|0.109557|0.095541|0.083921|0.301302|0.303444|0.500000| |1.359648|1.446673|1.614885|1.708800|1.590227|1.428662|1.373159|1.648752|0.050318|1.599543|2.368564|1.943093|3.487416|2.149904|3.466960|2.869198|4.775071|3.583534|3.568370|4.406835|6.637712|6.797144|4.538771|8.673889|5.520193|17.575599|6.984362|4.453253|2.689748|4.268466|2.097241|0.039720|1.537806|1.573680|0.036364|0.035776|0.039255|0.046798|0.052444|0.037643|0.035426|0.043839|0.041155|0.047790|0.058059|0.057822|0.083905|0.095562|0.116119|0.109557|0.166836|0.172938|0.244096|0.119987|0.114816|0.139080|0.145351|0.122326|0.500000| |1.239086|1.316147|1.454952|1.540518|1.451372|1.313198|1.259734|1.513940|0.045938|1.468513|2.141975|1.747943|3.182134|1.889608|2.989570|2.455832|4.154098|2.983161|3.169623|4.009245|5.470367|4.666517|3.467681|8.784385|7.181493|17.556885|6.892539|3.733625|2.304612|3.710550|1.958262|0.037192|1.451169|1.474712|0.033133|0.032861|0.035584|0.041840|0.046856|0.034851|0.032674|0.040618|0.037879|0.042895|0.051386|0.050418|0.076891|0.086353|0.105406|0.108301|0.144933|0.121438|0.142937|0.094389|0.086726|0.173640|0.224121|0.145346|0.303463|0.500000| |1.266693|1.352677|1.496665|1.595282|1.509546|1.362089|1.299839|1.585982|0.048202|1.560884|2.308911|1.907311|3.458190|2.104944|3.365693|2.873154|4.954390|3.505144|3.728453|4.564210|6.974929|5.788209|4.315976|8.721627|6.858506|17.533107|5.504585|4.118247|2.521790|3.958006|2.029276|0.038479|1.511002|1.505889|0.034041|0.033409|0.036245|0.042833|0.048592|0.036215|0.033672|0.043280|0.040153|0.046225|0.058020|0.055776|0.086831|0.106072|0.111039|0.120483|0.216884|0.133222|0.187564|0.124505|0.104062|0.200942|0.173659|0.139080|0.301314|0.302086|0.500000| |1.494849|1.622769|1.835888|1.994913|1.862056|1.640123|1.549676|1.974211|0.061722|1.847390|2.660984|2.209389|4.141949|2.312557|3.794709|3.006512|4.748112|3.943171|4.417012|6.637080|6.651918|5.360155|3.970814|8.692655|6.886650|5.496167|17.552432|5.462168|3.166739|5.129015|2.576783|0.047874|1.909722|1.997766|0.039261|0.039686|0.042873|0.052682|0.062330|0.043150|0.039601|0.051093|0.046643|0.052345|0.060617|0.060528|0.111773|0.105508|0.230433|0.172006|0.138238|0.168091|0.128280|0.097089|0.096773|0.140832|0.168020|0.207480|0.140882|0.141084|0.122216|0.500000| |1.358511|1.452448|1.623003|1.729701|1.616141|1.446931|1.383805|1.688048|0.051827|1.596914|2.299317|1.877027|3.462734|1.982009|3.169479|2.517680|4.098830|3.149748|3.391645|4.600296|5.415246|4.601384|3.392052|8.803608|7.025775|7.026016|17.550230|4.234947|2.563981|4.203317|2.205363|0.041530|1.627020|1.699392|0.035891|0.036164|0.039109|0.046824|0.053203|0.038177|0.035660|0.044061|0.040871|0.045726|0.052653|0.052680|0.085113|0.086270|0.137246|0.123551|0.123613|0.137222|0.123608|0.086277|0.085160|0.141789|0.209168|0.175843|0.175847|0.209187|0.141795|0.303058|0.500000| |1.525389|1.639177|1.861035|1.989177|1.826040|1.614568|1.544947|1.896130|0.058890|1.784059|2.608146|2.146136|3.910300|2.310614|3.798209|3.006329|4.745816|3.943242|3.970353|5.358154|6.652113|6.640200|4.417918|8.692666|5.496124|6.886834|17.554920|5.461714|3.164891|5.118827|2.428825|0.045465|1.767744|1.869791|0.040188|0.040239|0.044200|0.054234|0.062203|0.042176|0.039479|0.048688|0.045402|0.052176|0.060471|0.061779|0.096720|0.097089|0.168056|0.128214|0.138249|0.230371|0.172166|0.105528|0.111866|0.122214|0.141080|0.140880|0.207483|0.168033|0.140833|0.301049|0.303072|0.500000| |2.072933|2.352921|2.823912|3.255930|2.910916|2.403102|2.214861|3.135495|0.105241|2.876968|4.403193|3.898193|7.102801|4.282627|8.274889|5.834733|7.681336|8.691456|6.564414|6.228107|5.192938|6.184871|6.511559|4.066789|3.338859|3.331796|4.297232|26.097137|9.355019|12.983862|3.767924|0.067633|2.692432|2.854325|0.054008|0.053401|0.059441|0.081020|0.110567|0.061451|0.054710|0.076970|0.069736|0.086352|0.102377|0.109984|0.171962|0.135257|0.212740|0.132161|0.118158|0.210501|0.131248|0.134621|0.169936|0.085788|0.080523|0.096298|0.095917|0.080402|0.085622|0.130364|0.096780|0.129977|0.500000| |2.276308|2.773394|3.044412|3.876635|4.649628|3.834434|3.028212|7.205091|0.214449|6.382856|6.805167|5.209343|12.040327|3.754534|4.863880|3.085414|5.000312|2.886921|2.894854|2.545181|2.151074|2.154615|2.352600|1.910674|1.851377|1.684859|1.934727|4.387345|3.714390|7.176066|12.296260|0.181793|17.651045|6.689361|0.059465|0.060625|0.060030|0.075761|0.111694|0.109127|0.075135|0.215477|0.137983|0.112238|0.094313|0.092601|0.094152|0.073878|0.074278|0.068654|0.056945|0.061484|0.053590|0.061411|0.063488|0.050307|0.047127|0.055200|0.046378|0.043649|0.045721|0.058528|0.049120|0.053645|0.085422|0.500000| |2.223942|2.670015|2.817601|3.419549|4.140160|3.717847|2.982382|5.538790|0.146399|4.745269|5.010000|3.593864|7.423716|2.818811|3.677761|2.403172|3.962736|2.304977|2.328283|2.130273|1.839396|1.832801|1.952920|1.677904|1.641884|1.494652|1.717717|3.468468|2.832798|5.498965|12.304817|0.213467|17.658611|7.591412|0.057827|0.060751|0.058031|0.069886|0.094145|0.109947|0.075885|0.149038|0.116418|0.088328|0.072316|0.072484|0.073577|0.060118|0.062403|0.058221|0.048754|0.052535|0.046256|0.051265|0.052992|0.044468|0.042402|0.048924|0.041134|0.039201|0.040450|0.051862|0.044296|0.047555|0.069379|0.298207|0.500000| |2.286196|2.774174|2.888391|3.537398|4.522720|4.135904|3.191179|6.526551|0.157363|6.802138|6.421315|4.363854|8.913964|3.237612|3.993393|2.569553|4.305466|2.362099|2.342307|2.082598|1.815937|1.829529|1.996755|1.633056|1.589335|1.468845|1.644582|3.492084|2.938649|5.652562|12.223166|0.231340|17.689192|5.674546|0.060608|0.061481|0.058995|0.070586|0.095458|0.128678|0.081436|0.251163|0.165337|0.108536|0.084053|0.082737|0.073596|0.061419|0.059844|0.056476|0.048705|0.051829|0.046348|0.052952|0.054570|0.043513|0.040883|0.046855|0.040547|0.038301|0.040123|0.049012|0.042253|0.045721|0.067930|0.299631|0.301208|0.500000| |3.467602|4.533500|5.040880|6.432279|7.472819|6.081612|4.880767|7.131869|0.184641|4.576477|5.131416|3.470192|6.342455|2.875817|3.803383|2.380152|3.796892|2.339786|2.223465|2.084269|1.853234|1.925663|2.032868|1.704177|1.610896|1.534748|1.798458|3.755078|3.153601|6.783473|12.262221|0.222167|5.629040|17.703680|0.084008|0.094987|0.089683|0.117935|0.163165|0.149986|0.113174|0.114691|0.116898|0.098240|0.070136|0.078893|0.067393|0.056104|0.062789|0.055015|0.048095|0.057027|0.048890|0.051935|0.057007|0.042911|0.041894|0.047263|0.043185|0.040223|0.040927|0.053955|0.046319|0.051333|0.077556|0.139805|0.149728|0.126491|0.500000| |2.669009|3.256063|3.452230|4.150340|4.880198|4.374525|3.586285|5.566300|0.146703|4.085972|4.494769|3.141848|6.054596|2.582629|3.437642|2.218417|3.593717|2.187202|2.154167|2.028493|1.781587|1.805712|1.891508|1.649366|1.590103|1.476575|1.730431|3.407622|2.775647|5.646350|12.313833|0.226641|7.171150|17.650239|0.067014|0.074341|0.069472|0.084706|0.111255|0.121536|0.089341|0.112115|0.104172|0.083535|0.064727|0.068917|0.066334|0.054814|0.060748|0.054652|0.046537|0.052863|0.045802|0.048893|0.052103|0.042489|0.041419|0.047128|0.041068|0.038902|0.039504|0.052293|0.044830|0.048583|0.070208|0.163057|0.232677|0.150634|0.299238|0.500000| 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