Version2.1 2021-01-07T03:14:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(n(c(c1C#N)NC(=O)CSc2[nH]c(nn2)CCC3CCCC3)c4ccc(cc4)F)C C12105143 RHF 6-31G(d) (6D,7F) Cc1c(n(c(c1C#N)NC(=O)CSc2[nH]c(nn2)CCC3CCCC3)c4ccc(cc4)F)C C01[X(C24H27F1N6O1S1)] 174 C1 553 N#Cc1c(C)c(n(c1NC(=O)CSc1nnc([nH]1)CCC1CCCC1)c1ccc(cc1)F)C N#Cc1c(C)c(n(c1NC(=O)CSc1nnc([nH]1)CCC1CCCC1)c1ccc(cc1)F)C Cc1n(c2ccc(F)cc2)c(NC(=O)CSc3[nH]c(CCC4CCCC4)nn3)c(C#N)c1C InChIKey=PGBMOQZHJLMLIP-UHFFFAOYSA-N InChI=1S/C24H27FN6OS/c1-15-16(2)31(19-10-8-18(25)9-11-19)23(20(15)13-26)28-22(32)14-33-24-27-21(29-30-24)12-7-17-5-3-4-6-17/h8-11,17H,3-7,12,14H2,1-2H3,(H,28,32)(H,27,29,30) InChI=1/C24H27FN6OS/c1-15-16(2)31(19-10-8-18(25)9-11-19)23(20(15)13-26)28-22(32)14-33-24-27-21(29-30-24)12-7-17-5-3-4-6-17/h8-11,17H,3-7,12,14H2,1-2H3,(H,28,32)(H,27,29,30)/f/h27-28H Cc1c(n(c(c1C#N)NC(=O)CSc2[nH]c(nn2)CCC3CCCC3)c4ccc(cc4)F)C C01[X(C24H27F1N6O1S1)] 174 C01 553 N#Cc1c(C)c(n(c1NC(=O)CSc1nnc([nH]1)CCC1CCCC1)c1ccc(cc1)F)C N#C[C]1[C](=C([N]([C]1NC(=O)CS[C]1[N][N]=C(N1)CCC1CCCC1)[C]1[CH][CH][C]([CH][CH]1)F)C)C CC1=C(C)N([C]2[CH][CH][C](F)[CH][CH]2)[C](NC(=O)CS[C]3[N]N=C(CCC4CCCC4)N3)[C]1C#N InChIKey=PGBMOQZHJLMLIP-UHFFFAOYSA-N InChI=1S/C24H27FN6OS/c1-15-16(2)31(19-10-8-18(25)9-11-19)23(20(15)13-26)28-22(32)14-33-24-27-21(29-30-24)12-7-17-5-3-4-6-17/h8-11,17H,3-7,12,14H2,1-2H3,(H,28,32)(H,27,29,30) InChI=1/C24H27FN6OS/c1-15-16(2)31(19-10-8-18(25)9-11-19)23(20(15)13-26)28-22(32)14-33-24-27-21(29-30-24)12-7-17-5-3-4-6-17/h8-11,17H,3-7,12,14H2,1-2H3,(H,28,32)(H,27,29,30)/f/h27-28H 3229.1986475636 -1823.0625722 1-A 31674.1406 123 430 553 |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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.97337 -26.32398 -20.55886 -15.63635 -15.63479 -15.62163 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12.8463 2.9325 14.8060 5.8423 4.4762 4.0057 0.3653 2.1702 1.2137 2.3906 8.6796 1.5943 12.2354 33.3883 4.5605 3.0285 4.2735 13.4419 9.8416 1.2032 2.9647 8.7910 3.8948 2.6573 33.9591 30.0062 5.2443 2.0622 16.1763 14.0460 3.1592 4.5727 28.6885 11.7693 9.8296 10.6408 8.4599 2.3785 8.8767 32.0740 29.8412 29.3421 3.8001 17.6131 13.8119 7.0949 8.4187 6.8007 5.1197 70.5811 114.4782 7.7455 23.7771 23.0919 27.9534 3.7388 284.0216 62.6351 20.1950 88.5747 69.8127 48.7454 76.5037 206.8867 34.4707 50.6974 165.1894 17.2796 123.8626 136.3498 95.4131 54.2811 45.3781 38.4454 74.0748 47.9672 98.7642 26.3083 36.9187 82.7207 124.7712 76.8759 56.0730 40.6105 0.7495 0.7499 0.7412 0.7479 0.7498 0.7483 0.7490 0.7464 0.7486 0.5772 0.7449 0.7494 0.6686 0.6273 0.7471 0.7475 0.3121 0.5700 0.7498 0.5641 0.5370 0.7303 0.2814 0.2771 0.6276 0.4200 0.2424 0.6207 0.7478 0.3494 0.7191 0.2827 0.4541 0.4597 0.6473 0.6841 0.1463 0.3812 0.3989 0.6847 0.7304 0.6661 0.7309 0.3211 0.5316 0.7261 0.5237 0.3915 0.5042 0.7334 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0.0744 0.7186 0.8571 0.8512 0.7361 0.8473 0.7835 0.5840 0.3887 0.2523 0.2841 0.4831 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 6 6 6 7 6 6 6 7 7 6 8 6 16 6 7 1 6 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 9 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 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 1.00783 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 8139.0742 50135.5789 55673.7754 0.99999 0.00368 0.00136 -0.00368 0.99999 0.00092 -0.00136 -0.00093 1.00000 1 0.01064 0.00173 0.00156 0.22174 0.03600 0.03242 10.42 16.26 28.06 33.60 37.38 42.70 56.69 59.93 75.07 81.71 90.76 101.28 107.95 129.08 132.05 150.60 161.93 188.27 204.92 222.81 247.17 274.28 291.29 299.28 329.16 342.54 368.38 380.50 425.28 447.90 514.72 522.92 525.01 569.36 596.94 606.56 646.89 652.25 683.86 709.04 726.34 747.68 753.56 767.06 784.04 829.93 857.26 890.33 905.88 915.00 952.91 966.13 991.62 1036.82 1065.40 1066.12 1092.53 1115.38 1145.11 1156.68 1196.36 1209.68 1219.87 1232.81 1267.32 1295.54 1320.13 1340.27 1340.50 1376.02 1379.42 1421.18 1459.37 1471.17 1481.25 1534.16 1540.41 1550.91 1575.56 1585.16 1591.19 1601.94 1617.02 1622.92 1626.34 1636.19 1645.04 1666.69 1696.00 1702.35 1710.12 1726.27 1752.01 1760.59 1825.74 1835.06 1838.33 1838.68 1848.65 1865.48 1876.37 1912.77 1927.50 1949.51 1968.03 1992.67 1999.21 2014.26 2052.68 2066.97 2071.54 2098.29 2109.83 2135.66 2136.80 2142.56 2146.96 2170.42 2202.20 2224.96 2256.61 2256.90 2259.71 2276.51 2277.65 2300.79 2305.04 2339.74 2344.80 2346.16 2347.85 2355.07 2359.79 2362.37 2366.49 2370.18 2384.27 2406.44 2449.56 2463.49 2510.56 2578.81 2579.99 2597.23 2619.47 2858.86 3733.71 4542.94 4592.71 4595.29 4601.88 4615.43 4618.59 4626.06 4637.05 4641.53 4643.80 4659.02 4676.88 4680.64 4691.97 4697.95 4698.78 4701.54 4707.98 4739.68 4772.53 4775.81 4868.12 4895.57 4901.69 4921.49 5536.79 5621.42 0.520156 0.551316 0.552260 0.448794 -1822.542416 -1822.511257 -1822.510312 -1822.613778 3.470267D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE Cc1c(n(c(c1C#N)NC(=O)CSc2[nH]c(nn2)CCC3CCCC3)c4ccc(cc4)F)C C12105143 RHF 6-31G(d) (6D,10F) C1 466.195110 |X|Y|Z| 60.823092 29.814480 164.577581 66.827539 27 6 7 16 21 5 1 |36.858105| |12.685019|36.858105| |7.376927|14.029735|36.858105| |5.149369|8.551826|13.745493|53.358707| |5.143131|8.432408|8.533858|19.116058|36.858105| |7.326851|13.288309|8.528477|11.778718|14.009242|36.858105| |6.035218|7.424648|5.255557|7.241487|7.709248|13.329938|36.858105| |4.846076|5.260072|4.011596|5.517698|5.408510|7.421931|16.745099|53.358707| |3.788315|5.243828|5.333409|10.722348|13.615322|7.650059|6.233846|6.754525|53.358707| |3.224403|4.190954|4.304185|7.987527|7.847713|5.546850|4.954411|5.785394|18.941050|36.858105| |3.244941|4.171389|4.364846|7.801780|6.840725|5.179679|4.524278|5.289810|11.501175|15.970112|73.516695| |2.628632|3.220894|3.258430|5.619238|5.096511|4.067992|3.961911|4.992557|10.764429|12.577892|14.162623|36.858105| |2.240255|2.643275|2.693870|4.417978|3.699464|3.141768|3.084362|3.992242|6.509808|6.996643|11.790210|10.515172|388.023441| |1.933212|2.226485|2.250125|3.597175|2.973780|2.605923|2.622754|3.492425|5.100310|4.690600|7.507932|7.115044|77.116767|36.858105| |1.717494|1.940977|1.960338|3.061728|2.474867|2.220023|2.242388|3.015637|4.049091|3.587593|6.045234|4.764169|49.609356|14.041582|53.358707| |1.668652|1.874622|1.896319|2.935981|2.348206|2.121667|2.135595|2.868978|3.761848|3.348265|5.857647|4.199406|45.485105|9.008154|26.078689|0.500000| |1.598420|1.790530|1.801877|2.789040|2.247170|2.036890|2.072797|2.812975|3.642423|3.078343|5.082620|4.015917|35.164470|8.839432|18.975806|0.248833|36.858105| |1.679596|1.893599|1.901433|2.967330|2.417830|2.177663|2.223554|3.018742|3.996611|3.309807|5.262088|4.486052|35.055387|8.906491|11.996529|0.169540|14.887038|53.358707| |1.904713|2.188814|2.201958|3.515198|2.923771|2.571936|2.611464|3.503343|5.057374|4.340904|6.625444|6.619349|49.553190|14.880391|11.982252|0.169511|8.865445|18.891981|53.358707| |1.423013|1.571646|1.580277|2.405702|1.910997|1.758851|1.791997|2.444837|3.009937|2.486970|4.194731|3.056701|25.958707|5.287980|10.295069|0.186826|12.715609|10.401028|7.170504|36.858105| |1.342085|1.472603|1.476517|2.232308|1.769183|1.640750|1.678633|2.302124|2.763936|2.219404|3.702138|2.686469|21.262195|4.102122|6.786743|0.122928|7.542038|8.934929|6.092901|12.446571|36.858105| |1.214331|1.319839|1.323787|1.979374|1.552914|1.453097|1.484387|2.038117|2.382156|1.896175|3.209270|2.223221|17.531906|3.151906|5.121385|0.098976|4.897646|5.866177|4.500938|7.462536|12.464084|36.858105| |1.147647|1.240665|1.242532|1.846968|1.444520|1.359338|1.390558|1.913816|2.198589|1.719700|2.897352|1.990244|15.168429|2.647234|4.073359|0.078264|3.744330|4.866554|3.869787|4.847813|7.430933|12.423476|36.858105| |1.061586|1.139615|1.140172|1.681426|1.308205|1.239462|1.268055|1.747595|1.968228|1.536925|2.617387|1.747517|13.378027|2.259820|3.472444|0.068588|3.032792|3.875381|3.218253|3.844697|4.993010|7.891724|12.426575|36.858105| |1.077490|1.154693|1.151081|1.694742|1.323185|1.258053|1.292754|1.787785|1.988923|1.566448|2.686150|1.779650|13.865690|2.335092|3.663034|0.073707|3.152696|3.893784|3.253738|4.110251|4.956545|7.742574|7.786628|12.299716|36.858105| |1.177273|1.270217|1.265857|1.877816|1.476232|1.395609|1.436294|1.985664|2.244163|1.789085|3.058391|2.069421|16.444560|2.866091|4.666096|0.093389|4.177703|4.932255|3.974613|6.014782|7.341931|12.374541|7.949018|7.703760|12.307212|36.858105| |3.788153|5.281579|7.614304|18.153914|7.693569|5.315204|3.885710|4.330642|8.813195|5.457062|9.599304|4.065934|23.454760|2.697669|3.134805|0.061394|2.095419|3.025815|3.576463|1.807668|1.673354|1.484152|1.382610|1.256288|1.259953|1.395619|36.858105| |3.302848|4.313548|5.745287|10.657462|5.675083|4.303475|3.345937|3.844267|7.113081|4.357023|7.269348|3.591931|20.770442|2.515825|2.947189|0.057245|2.012858|2.939052|3.425320|1.748585|1.641978|1.459545|1.372294|1.244025|1.236369|1.361742|13.741396|36.858105| |2.686961|3.311514|4.159421|6.999949|4.128165|3.306343|2.716834|3.222507|5.536826|3.687000|6.283058|3.229202|19.635988|2.429814|2.891323|0.056374|1.984496|2.877623|3.302353|1.738673|1.634899|1.460612|1.374528|1.247090|1.233272|1.354031|7.929521|13.767303|36.858105| |2.483187|3.019019|3.741635|6.219976|3.745348|3.024647|2.521229|3.017257|5.119996|3.663883|6.540677|3.219816|20.620322|2.504767|3.010893|0.059424|2.036032|2.900653|3.319893|1.788042|1.659927|1.487417|1.387886|1.263202|1.254214|1.380280|6.951293|8.024576|13.815337|36.858105| |2.659534|3.282456|4.110233|6.994579|4.156022|3.302868|2.718334|3.224842|5.624169|4.227494|8.039909|3.537204|23.197366|2.681417|3.210291|0.064084|2.120901|2.982310|3.453485|1.851241|1.692268|1.513623|1.398680|1.276219|1.278937|1.415589|7.939705|6.863891|7.888903|13.822133|36.858105| |3.252530|4.249650|5.616818|10.628449|5.744112|4.294727|3.348128|3.847683|7.294640|5.328907|10.466964|4.026256|25.094445|2.795657|3.284264|0.065304|2.154238|3.049352|3.592648|1.862157|1.699454|1.511877|1.395965|1.272593|1.281962|1.423840|13.744730|7.927008|6.849588|8.012908|13.759413|36.858105| |2.123247|2.497278|2.981034|4.718183|2.981402|2.500238|2.150169|2.623914|4.137411|3.026289|5.411525|2.786747|18.553468|2.325338|2.857198|0.056689|1.951163|2.756954|3.088219|1.738207|1.620796|1.464951|1.370806|1.251674|1.237070|1.354099|4.683577|5.318201|8.179177|14.356696|8.176022|5.313105|97.533100| |5.809888|7.340329|12.715016|10.334192|5.216876|5.129023|3.756791|4.199036|5.286951|3.363425|6.196350|2.686838|16.519288|1.976108|2.387955|0.047503|1.621579|2.309205|2.627559|1.441431|1.351716|1.223838|1.153013|1.064229|1.072038|1.170831|6.378424|5.352787|4.163757|3.795454|4.087703|5.194319|6.911223|36.858105| |17.551688|8.879055|5.823872|6.068542|4.631191|6.504215|5.989656|6.856058|4.843189|3.150955|5.759825|2.581794|15.962787|1.926802|2.343432|0.046737|1.594584|2.263962|2.560563|1.423212|1.336690|1.211895|1.141932|1.059507|1.080945|1.182135|3.387725|2.919507|2.432836|2.299959|2.499189|3.035723|4.471034|4.765986|0.500000| |17.551081|8.881043|5.791302|6.056935|4.634327|6.537134|6.056566|6.947686|4.858583|3.001146|5.222418|2.517305|15.129861|1.872030|2.266069|0.044701|1.564949|2.252630|2.541658|1.396389|1.327216|1.201303|1.141278|1.055028|1.068410|1.164543|3.386394|3.074807|2.522599|2.301791|2.414941|2.886443|4.475261|4.717972|0.302556|0.500000| |17.602917|8.855406|6.907356|6.356833|4.328585|5.463946|4.523086|5.172691|4.483739|2.862834|5.182893|2.366422|14.615284|1.784989|2.177458|0.043345|1.492385|2.125058|2.390481|1.337813|1.264050|1.150041|1.089266|1.010938|1.024328|1.114502|3.627370|3.220155|2.659393|2.463483|2.621438|3.153878|4.768681|6.529669|0.302089|0.302209|0.500000| |3.505180|4.623700|4.561090|8.374214|9.268812|6.561032|5.965196|6.813232|26.018108|9.340075|10.861878|7.628281|31.729619|3.769696|4.047738|0.075429|2.743541|4.207958|5.345365|2.257977|2.103406|1.800647|1.673328|1.488132|1.495514|1.687040|5.314123|4.787378|3.816392|3.436285|3.599933|4.378786|6.404201|3.450218|0.090831|0.095255|0.084860|0.500000| |2.477836|3.028150|3.134136|5.447175|4.717089|3.718548|3.541982|4.450510|9.733821|8.878116|10.916852|17.619853|56.433032|6.799174|6.276726|0.110438|4.077112|6.472144|9.693451|3.093462|2.769036|2.275259|2.052394|1.784890|1.792575|2.076455|4.141343|3.850901|3.535300|3.474773|3.673831|4.028353|6.796774|2.630779|0.066527|0.066469|0.062710|0.208949|0.500000| |2.618405|3.145560|3.066166|5.094207|4.761885|4.051934|4.222866|5.546521|9.580737|8.889268|11.007380|17.604069|56.401035|6.689691|6.268825|0.111247|4.043612|6.328469|9.266707|3.082433|2.752815|2.264054|2.038070|1.784142|1.822303|2.123901|3.533577|3.186877|2.844949|2.780502|2.993659|3.397593|5.487928|2.517666|0.071905|0.070841|0.064768|0.210174|0.303178|0.500000| |1.403120|1.539705|1.537938|2.323347|1.850726|1.721270|1.767841|2.428872|2.888085|2.392791|4.085199|2.892963|24.876671|4.799700|9.321140|0.186176|9.026026|8.144196|6.222598|17.526464|8.803711|6.766563|4.476071|3.775880|4.335789|6.671865|1.729297|1.659044|1.638985|1.686945|1.760672|1.784530|3.676434|1.402581|0.039229|0.038225|0.036607|0.059815|0.079241|0.081951|0.500000| |1.377189|1.521485|1.542626|2.347421|1.841525|1.687514|1.700039|2.301049|2.878645|2.383187|4.072990|2.874565|24.793762|4.785103|9.240992|0.182953|9.014836|8.181818|6.230034|17.505115|8.824372|6.879797|4.541389|3.742699|3.950692|5.470223|1.783408|1.728406|1.738047|1.806606|1.870069|1.856918|3.993574|1.418603|0.038216|0.037392|0.036154|0.059426|0.081411|0.078522|0.303871|0.500000| |1.353380|1.491477|1.504323|2.285368|1.803273|1.659858|1.685317|2.296660|2.828802|2.253232|3.725834|2.736988|21.157968|4.080999|6.413719|0.113759|6.994155|9.359538|6.318796|8.896469|17.563035|8.858474|6.867176|4.540081|4.172913|5.425881|1.727464|1.712274|1.716540|1.737495|1.753430|1.748296|3.834514|1.379365|0.037226|0.037212|0.035466|0.060158|0.080325|0.077145|0.173719|0.210681|0.500000| |1.370937|1.500255|1.491907|2.249780|1.799896|1.681294|1.739739|2.407444|2.816022|2.243817|3.710449|2.726422|21.029405|4.040798|6.375889|0.113843|6.883770|9.075729|6.206438|8.871290|17.548401|8.847217|6.771710|4.671306|4.711748|6.735898|1.668630|1.635484|1.612505|1.622499|1.654411|1.678684|3.536303|1.358108|0.037972|0.037834|0.035723|0.060054|0.077457|0.079526|0.212159|0.173606|0.304847|0.500000| |1.187471|1.292171|1.304094|1.951026|1.518446|1.414946|1.433504|1.955854|2.321513|1.853894|3.161364|2.156782|17.211611|3.046716|4.994316|0.098673|4.597336|5.393380|4.256973|6.899520|8.890241|17.462293|8.922939|7.024625|6.708993|8.863843|1.474346|1.451598|1.464310|1.502222|1.527888|1.512853|3.354573|1.212170|0.032890|0.032522|0.031351|0.048430|0.061556|0.060082|0.169286|0.209147|0.212320|0.173895|0.500000| |1.140017|1.235039|1.242711|1.850663|1.440387|1.349643|1.372319|1.879596|2.192444|1.705757|2.865297|1.970414|14.859022|2.580889|3.903294|0.074503|3.563887|4.754842|3.812879|4.408635|6.487260|8.670824|17.552370|8.668534|5.606403|5.643664|1.393949|1.393713|1.404557|1.416390|1.416892|1.405453|3.164404|1.156510|0.031385|0.031501|0.030120|0.046451|0.057135|0.055648|0.108776|0.118808|0.193812|0.159472|0.216333|0.500000| |1.170569|1.263375|1.258517|1.868379|1.470201|1.389536|1.431610|1.981596|2.240480|1.742072|2.915814|2.021784|15.166158|2.650945|4.000117|0.075903|3.689731|4.966489|3.946063|4.550461|6.989341|8.840896|17.502967|8.793500|6.619218|6.937374|1.389400|1.379322|1.372447|1.376248|1.386176|1.392956|3.040197|1.163080|0.032356|0.032457|0.030776|0.047677|0.057797|0.058259|0.118805|0.112752|0.178048|0.208515|0.174572|0.302229|0.500000| |1.030169|1.106246|1.111759|1.638944|1.267337|1.197746|1.218024|1.670956|1.900914|1.484889|2.539774|1.678328|12.896480|2.156186|3.313381|0.066022|2.847708|3.618417|3.043507|3.579015|4.429565|6.692413|8.838265|17.539468|8.754549|6.158136|1.231162|1.221722|1.232032|1.252975|1.263494|1.252034|2.810557|1.042512|0.028528|0.028382|0.027333|0.039776|0.047778|0.047164|0.096314|0.101039|0.116333|0.110748|0.194909|0.219217|0.174414|0.500000| |1.023774|1.094480|1.092357|1.603991|1.247413|1.187589|1.218046|1.683211|1.867507|1.446824|2.460783|1.633563|12.332432|2.055643|3.098117|0.061055|2.667541|3.486535|2.944668|3.238252|4.105866|5.660990|8.689097|17.567020|8.639277|5.727782|1.194703|1.186234|1.187058|1.196885|1.205696|1.204567|2.666919|1.021010|0.028371|0.028347|0.027102|0.039323|0.046339|0.046529|0.088827|0.086689|0.106579|0.112021|0.140508|0.195628|0.218077|0.303503|0.500000| |1.039547|1.112193|1.111408|1.632462|1.268114|1.206004|1.234488|1.702490|1.896551|1.496667|2.585970|1.685619|13.235337|2.192607|3.449222|0.070643|2.889139|3.530638|3.006998|3.719673|4.186920|6.119864|5.813289|8.718576|17.564213|8.700413|1.216657|1.192252|1.193088|1.219155|1.245474|1.244070|2.715776|1.039525|0.029002|0.028564|0.027526|0.039393|0.047055|0.047589|0.109747|0.103469|0.100611|0.107849|0.168127|0.129400|0.136337|0.227514|0.186725|0.500000| |1.058780|1.129486|1.120653|1.642678|1.285615|1.230181|1.271242|1.767128|1.924503|1.508534|2.586373|1.704487|13.152954|2.189106|3.380801|0.067967|2.868296|3.604100|3.057430|3.584538|4.231471|5.789997|6.142263|8.696055|17.566552|8.730011|1.214105|1.190119|1.181714|1.197265|1.221661|1.230572|2.648209|1.042940|0.029559|0.029234|0.027938|0.040256|0.047441|0.048847|0.106868|0.093660|0.100223|0.118595|0.137562|0.128954|0.165680|0.177716|0.222874|0.304353|0.500000| |1.214608|1.308618|1.295882|1.920501|1.521418|1.445291|1.500481|2.088859|2.317554|1.844411|3.137464|2.142876|16.875685|2.954286|4.745145|0.093701|4.264684|5.140197|4.138966|5.805693|7.055298|8.833857|6.742107|6.165842|8.753714|17.514754|1.416259|1.378089|1.359994|1.379092|1.417110|1.437069|3.023160|1.192331|0.033942|0.033462|0.031823|0.048597|0.059289|0.061987|0.187190|0.136051|0.143057|0.210966|0.174821|0.137165|0.192582|0.135010|0.142386|0.177594|0.227720|0.500000| |1.184478|1.278517|1.276004|1.892677|1.485007|1.402678|1.439970|1.986206|2.253492|1.813527|3.130748|2.089038|16.994829|2.931347|4.903413|0.101566|4.224626|4.781680|3.936449|6.173877|6.261033|8.652018|5.680990|5.724641|8.661002|17.556474|1.408225|1.365634|1.358938|1.394888|1.440418|1.447713|3.080238|1.181618|0.033136|0.032415|0.031171|0.046680|0.057727|0.059107|0.208070|0.164338|0.132240|0.154537|0.218451|0.124984|0.139226|0.142061|0.124926|0.223543|0.187507|0.303163|0.500000| |3.460396|4.482695|5.742384|9.819274|5.603162|4.448065|3.479982|3.997499|6.863531|3.996837|6.482734|3.375355|19.184677|2.380169|2.793177|0.053956|1.933414|2.849905|3.299986|1.685685|1.600150|1.423618|1.348442|1.221813|1.210960|1.329195|8.933440|17.727286|8.918563|5.680668|4.948097|5.647257|9.611682|5.233734|0.083081|0.091873|0.093349|0.135750|0.100681|0.085912|0.044467|0.045986|0.046393|0.044575|0.039137|0.038062|0.037841|0.033245|0.032496|0.032347|0.032488|0.037499|0.036846|0.500000| |2.441794|2.922624|3.540739|5.659521|3.503098|2.912426|2.457985|2.961395|4.750503|3.162455|5.327237|2.878587|17.659622|2.254627|2.710970|0.052703|1.889784|2.752282|3.110346|1.670590|1.588918|1.425836|1.352520|1.227316|1.206098|1.316835|5.627336|8.855334|17.747674|8.954994|5.639356|4.942518|16.728538|3.592976|0.061421|0.064783|0.067493|0.094240|0.088442|0.071838|0.043600|0.046435|0.046602|0.043518|0.039737|0.038586|0.037517|0.033742|0.032541|0.032397|0.032101|0.036673|0.036557|0.212744|0.500000| |2.405498|2.887317|3.486949|5.654182|3.533390|2.908252|2.460044|2.964761|4.849437|3.807966|7.479152|3.287973|22.873728|2.641668|3.223341|0.065280|2.111798|2.920152|3.342945|1.858575|1.685484|1.516392|1.394135|1.277717|1.284556|1.421641|5.633501|4.950073|5.639907|8.960115|17.749011|8.862044|16.723301|3.506505|0.063894|0.060747|0.066080|0.087065|0.093562|0.077529|0.049235|0.052652|0.048339|0.045460|0.042783|0.039185|0.038173|0.035265|0.033439|0.034911|0.034001|0.039349|0.040415|0.107488|0.124568|0.500000| |3.357307|4.355990|5.512773|9.786006|5.736247|4.435491|3.488568|4.009101|7.188735|5.648117|12.528269|4.107789|26.595642|2.856162|3.370346|0.067831|2.176610|3.042214|3.588326|1.881971|1.700929|1.515335|1.390991|1.272637|1.291636|1.438731|8.945225|5.651328|4.943370|5.675842|8.906523|17.759404|9.603508|4.963975|0.089497|0.081294|0.089624|0.116768|0.108699|0.096405|0.050561|0.052069|0.048161|0.046723|0.042081|0.038672|0.038551|0.034729|0.033418|0.034880|0.034492|0.040417|0.040851|0.124449|0.107406|0.212566|0.500000| |4.756488|5.788289|8.852074|9.094385|4.682094|4.438303|3.365971|3.832648|4.981741|3.139345|5.633803|2.574910|15.759035|1.918036|2.320611|0.045962|1.589272|2.274775|2.576889|1.415771|1.335915|1.210545|1.145501|1.055893|1.058162|1.152488|6.362793|6.105273|4.727749|4.083476|4.133398|4.965298|7.421774|17.555460|0.108878|0.115708|0.146339|0.092805|0.071575|0.066968|0.038072|0.038775|0.038075|0.037231|0.033348|0.032049|0.032083|0.028777|0.028172|0.028487|0.028562|0.032533|0.032211|0.172671|0.115179|0.096721|0.123681|0.500000| |4.729575|5.777944|8.873778|9.188187|4.718550|4.452634|3.372605|3.836343|5.011152|3.343078|6.385186|2.666154|16.833707|1.990575|2.418807|0.048471|1.629833|2.300276|2.613933|1.451421|1.352361|1.227042|1.151188|1.064737|1.074783|1.174776|6.407871|5.120072|4.214133|4.083132|4.621067|5.900989|7.414439|17.557804|0.116268|0.107738|0.144351|0.089441|0.072228|0.068399|0.039266|0.039900|0.038283|0.037552|0.033898|0.032064|0.032127|0.029045|0.028307|0.029038|0.028983|0.033124|0.033066|0.129437|0.099057|0.111542|0.161330|0.302292|0.500000| 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