Version2.0 2020-02-03T03:14:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 14-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCSc1nc2n(n1)[C@H](C(=C(N2)C)C(=O)Nc3cccc(c3C)C)c4ccc(c(c4)OC)OC C41019882 RHF 6-31G(d) (6D,7F) CCCCSc1nc2n(n1)[C@H](C(=C(N2)C)C(=O)Nc3cccc(c3C)C)c4ccc(c(c4)OC)OC C01[X(C27H33N5O3S1)] 201 C1 610 CCCCSc1nn2c(n1)NC(=C([C@@H]2c1ccc(c(c1)OC)OC)C(=O)Nc1cccc(c1C)C)C CCCCSc1nn2c(n1)NC(=C([C@@H]2c1ccc(c(c1)OC)OC)C(=O)Nc1cccc(c1C)C)C CCCCSc1nn2[C@@H](c3ccc(OC)c(OC)c3)C(=C(C)Nc2n1)C(=O)Nc4cccc(C)c4C InChIKey=JMUAFCVMHSZCQN-DEOSSOPVSA-N InChI=1S/C27H33N5O3S/c1-7-8-14-36-27-30-26-28-18(4)23(25(33)29-20-11-9-10-16(2)17(20)3)24(32(26)31-27)19-12-13-21(34-5)22(15-19)35-6/h9-13,15,24H,7-8,14H2,1-6H3,(H,29,33)(H,28,30,31)/t24-/m0/s1 InChI=1/C27H33N5O3S/c1-7-8-14-36-27-30-26-28-18(4)23(25(33)29-20-11-9-10-16(2)17(20)3)24(32(26)31-27)19-12-13-21(34-5)22(15-19)35-6/h9-13,15,24H,7-8,14H2,1-6H3,(H,29,33)(H,28,30,31)/t24-/m0/s1/f/h28-29H CCCCSc1nc2n(n1)[C@H](C(=C(N2)C)C(=O)Nc3cccc(c3C)C)c4ccc(c(c4)OC)OC C01[X(C27H33N5O3S1)] 201 C01 610 CCCCSc1nn2c(n1)NC(=C([C@@H]2c1ccc(c(c1)OC)OC)C(=O)Nc1cccc(c1C)C)C CCCCS[C@H]1NN2[C@@H](N1)NC(=C([C@@H]2c1ccc(c(c1)OC)OC)C(=O)Nc1cccc(c1C)C)C CCCCS[C@@H]1N[C@H]2NC(=C([C@@H](N2N1)c3ccc(OC)c(OC)c3)C(=O)Nc4cccc(C)c4C)C InChIKey=XLKWZNTXLQEXCN-WYMJOSIYSA-N InChI=1S/C27H37N5O3S/c1-7-8-14-36-27-30-26-28-18(4)23(25(33)29-20-11-9-10-16(2)17(20)3)24(32(26)31-27)19-12-13-21(34-5)22(15-19)35-6/h9-13,15,24,26-28,30-31H,7-8,14H2,1-6H3,(H,29,33)/t24-,26+,27+/m0/s1 InChI=1/C27H37N5O3S/c1-7-8-14-36-27-30-26-28-18(4)23(25(33)29-20-11-9-10-16(2)17(20)3)24(32(26)31-27)19-12-13-21(34-5)22(15-19)35-6/h9-13,15,24,26-28,30-31H,7-8,14H2,1-6H3,(H,29,33)/t24-,26+,27+/m0/s1/f/h29H 4031.5981179241 -1935.9841117 1-A 25975.6154 135 475 610 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107.9651 28.3357 12.5841 3.8099 84.5064 207.4461 353.9197 0.5000 47.0035 100.5581 0.3741 221.1293 241.8859 13.2267 6.4708 6.9725 5.2542 0.2124 1.2198 0.5631 12.9519 70.6846 114.3479 7.6723 17.0798 34.7469 6.9450 3.0372 20.1381 6.1942 0.1507 70.5208 5.1836 0.6873 3.9596 5.6406 12.5719 20.3725 1.9737 17.0128 20.9792 70.7874 225.9306 538.2191 105.9852 775.4227 12.5375 29.6376 21.8600 33.5080 106.1755 298.7154 33.3359 25.8963 19.7641 59.7662 54.7990 33.3208 32.1995 33.7240 3.0794 14.7201 32.4613 17.4207 15.6827 3.9871 51.0197 87.8625 79.9306 49.1246 6.6733 29.5367 19.1180 2.9572 50.0485 54.8495 7.1555 10.5614 11.4149 38.2194 13.9487 1.8046 3.5310 102.5138 25.4448 0.1708 1.4890 1.3638 1.4787 5.2370 1.1962 0.3754 1.3164 2.8049 1.4527 0.5247 0.7479 2.0250 0.0651 0.6051 0.5936 0.7974 1.3245 1.7232 1.5784 1.3083 0.4603 0.5639 0.6023 1.2846 0.1186 2.1380 0.7081 1.1913 0.0131 1.5621 1.3022 0.5432 1.6080 0.6349 3.1696 0.8605 0.5148 0.6261 0.4073 0.9725 1.8134 4.0273 1.1114 3.0097 2.5076 1.3555 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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 6 6 6 6 16 6 7 6 7 7 6 1 6 6 7 6 6 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 8 6 8 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 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 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 12.00000 15.99491 12.00000 15.99491 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 10453.6621 37604.4424 43728.7924 0.99999 0.00464 -0.00106 -0.00464 0.99999 0.00264 0.00107 -0.00263 1.00000 1 0.00829 0.00230 0.00198 0.17264 0.04799 0.04127 12.93 21.10 23.08 27.38 39.76 44.42 59.28 72.93 76.63 95.98 112.11 114.44 122.10 150.83 156.74 188.70 196.27 198.93 210.75 223.01 227.52 236.99 259.07 266.52 293.90 300.83 312.14 323.97 371.90 379.02 392.11 395.54 419.36 428.10 450.23 467.77 472.28 493.17 512.59 541.87 561.11 574.47 591.04 615.60 629.44 649.07 692.98 724.40 746.99 750.76 770.32 784.55 799.14 828.43 846.17 875.10 894.27 911.94 924.87 946.30 969.92 1008.67 1044.85 1111.39 1123.10 1140.58 1147.77 1156.13 1197.77 1200.43 1207.49 1220.90 1234.90 1256.48 1261.49 1275.02 1289.21 1329.81 1349.39 1404.59 1411.78 1422.94 1447.39 1454.58 1469.16 1490.10 1513.37 1565.75 1570.69 1587.14 1590.37 1592.58 1632.65 1655.24 1659.31 1672.21 1682.89 1693.55 1709.04 1717.94 1720.90 1723.33 1751.94 1757.95 1773.19 1791.80 1837.28 1862.08 1862.41 1866.62 1885.60 1899.78 1911.14 1920.81 1933.88 1939.91 1955.28 1993.22 1995.37 1999.86 2014.36 2017.70 2046.18 2056.21 2076.33 2079.77 2097.07 2102.89 2124.39 2131.14 2167.48 2231.51 2235.95 2251.70 2255.09 2264.40 2266.13 2297.84 2303.99 2343.36 2347.26 2348.19 2350.09 2352.36 2354.44 2354.70 2360.10 2363.01 2365.37 2366.30 2376.08 2376.93 2378.86 2382.76 2383.35 2389.20 2389.43 2391.71 2456.20 2462.09 2539.64 2565.89 2574.94 2581.08 2604.41 2609.76 2717.81 2800.41 4575.74 4592.38 4602.60 4607.96 4609.58 4611.52 4615.90 4617.32 4625.31 4661.40 4686.18 4688.08 4691.93 4694.35 4695.19 4695.95 4696.68 4709.61 4711.72 4725.95 4773.89 4786.28 4786.41 4788.88 4830.48 4831.85 4859.27 4861.60 4900.27 4908.91 4928.76 5589.35 5607.74 0.612992 0.647744 0.648688 0.540431 -1935.371120 -1935.336367 -1935.335423 -1935.443681 3.630991D-04 MUNgauss RevisionA2.0 retrievium 03-Feb-2020 DUDE CCCCSc1nc2n(n1)[C@H](C(=C(N2)C)C(=O)Nc3cccc(c3C)C)c4ccc(c(c4)OC)OC C41019882 RHF 6-31G(d) (6D,10F) C1 507.230412 |X|Y|Z| 140.912827 68.475090 37.819957 71.460830 23 6 7 18 5 |36.858105| |12.465646|36.858105| |7.482435|12.445498|36.858105| |4.881163|7.517044|12.466089|36.858105| |3.608559|4.600183|6.959928|10.459007|388.023441| |2.867949|3.594433|4.599968|6.886161|76.991888|36.858105| |2.814460|3.597155|4.268011|6.481788|49.169099|14.011828|53.358707| |2.360358|2.888536|3.314513|4.504378|35.904856|9.243765|19.903245|36.858105| |2.200900|2.624953|3.078385|4.007564|35.895510|9.214882|11.935787|14.445514|53.358707| |2.432739|2.913030|3.596803|4.751359|50.871338|14.745016|11.552298|8.740453|19.030035|53.358707| |1.887772|2.189391|2.503876|3.076576|26.549618|5.491183|7.259250|7.683710|17.927780|10.460890|36.858105| |1.835631|2.108444|2.417981|2.918363|25.511531|4.986751|6.289756|6.021542|12.633599|9.542749|17.612406|0.500000| |1.765825|2.043338|2.264367|2.753982|22.040167|4.324873|6.420271|6.935985|10.794944|6.986547|12.466436|0.248284|36.858105| |1.850022|2.167453|2.361474|2.912716|22.130227|4.352408|7.170736|8.007317|9.532450|6.381473|7.555755|0.164766|14.300382|36.858105| |2.125170|2.557670|2.803125|3.615063|26.708402|5.595217|10.838382|13.989187|11.150520|7.468489|6.603797|0.144903|8.042895|13.645568|53.358707| |1.701287|1.969638|2.087082|2.503299|18.243627|3.329120|5.426471|5.179473|6.160722|4.686419|4.818155|0.116545|7.494439|12.651522|10.747956|36.858105| |1.555646|1.765501|1.934198|2.276317|18.065742|3.288539|4.695077|4.492755|6.918124|5.239875|7.560622|0.196778|12.676416|7.609353|6.859523|6.186326|36.858105| |1.505436|1.695131|1.862542|2.165698|17.366358|3.080723|4.259132|3.906003|6.161527|4.955271|6.508164|0.201809|8.102769|5.569431|5.627111|4.764734|15.879208|73.516695| |1.449967|1.633910|1.766906|2.052857|15.947158|2.816855|4.070666|3.758574|5.486390|4.337447|5.363482|0.134807|7.866382|6.232700|5.916740|5.987363|14.008564|14.977117|53.358707| |1.309791|1.457574|1.565245|1.784399|13.781150|2.347031|3.334164|2.941856|4.278952|3.572463|3.978178|0.105783|5.031419|4.286848|4.478311|4.372724|7.688797|11.792580|18.274027|36.858105| |1.250627|1.384434|1.480370|1.674087|12.858922|2.156313|3.048556|2.640888|3.818053|3.255782|3.456744|0.096307|4.243499|3.714763|3.976970|3.893608|6.258595|11.402412|10.669756|13.725340|36.858105| |1.147223|1.258651|1.338653|1.494639|11.417925|1.872036|2.626046|2.220336|3.191791|2.798011|2.799330|0.078420|3.258122|2.935657|3.290040|3.085047|4.341283|8.031067|7.032430|7.975866|13.815865|36.858105| |1.101853|1.204286|1.278662|1.420358|10.837136|1.761696|2.463722|2.065349|2.964283|2.623729|2.571545|0.070847|2.925291|2.659286|3.041666|2.771466|3.726136|6.615995|6.215359|6.918013|7.958861|13.769807|36.858105| |1.140679|1.250301|1.330751|1.484094|11.356739|1.858189|2.603077|2.195858|3.158273|2.776044|2.758292|0.074174|3.139364|2.839864|3.242542|2.922345|3.953743|6.661870|7.011103|7.916333|6.825913|7.896913|13.728962|36.858105| |1.244096|1.375644|1.472609|1.662932|12.806056|2.141867|3.021266|2.608576|3.776558|3.233347|3.398628|0.089179|4.011218|3.538220|3.905411|3.586841|5.272766|8.284368|10.704571|13.643499|7.850045|6.829462|7.912753|13.603212|36.858105| |1.291755|1.431657|1.536058|1.739331|13.419122|2.250497|3.177010|2.740843|3.960099|3.391330|3.514555|0.088688|4.025883|3.597976|4.080282|3.532260|4.775681|7.170005|9.157170|7.563148|5.004816|4.425787|5.000355|7.485043|12.571207|36.858105| |1.077983|1.174273|1.245312|1.376569|10.488904|1.689360|2.355791|1.953601|2.793768|2.501344|2.378204|0.063640|2.620993|2.416633|2.851128|2.470443|3.106702|5.236426|5.220976|4.997642|4.425556|5.031499|7.617760|12.579873|7.485300|6.378376|36.858105| |1.771934|2.023069|2.309508|2.757103|23.918261|4.530940|5.779329|5.408845|10.487151|8.301540|12.489043|0.248129|7.532129|5.348213|6.588306|3.893502|6.181470|9.553556|6.973482|3.996993|3.335617|2.773104|2.641813|2.927696|3.641062|3.997836|2.575392|36.858105| |1.820095|2.081205|2.369507|2.824999|24.122906|4.458310|5.789156|5.168866|8.853148|7.532909|7.501275|0.157023|5.737602|4.761725|6.331441|3.615794|4.695622|7.138949|5.913086|3.498175|2.897421|2.475253|2.423110|2.736262|3.365706|3.938889|2.490183|13.870046|36.858105| |1.674788|1.879785|2.118160|2.442310|20.486829|3.486094|4.500212|3.769906|6.039413|5.595928|4.989491|0.117165|4.196235|3.618185|4.779077|2.969219|3.808895|6.008481|5.092674|3.226222|2.679367|2.360522|2.377003|2.728092|3.281093|3.988237|2.568094|7.934106|13.659902|36.858105| |1.527931|1.692594|1.898281|2.148475|18.006200|2.975092|3.802455|3.158168|5.094225|4.805838|4.410963|0.111021|3.764045|3.168073|4.055786|2.673664|3.690768|6.068226|4.970348|3.310210|2.771295|2.480952|2.527965|2.909894|3.439422|4.108046|2.760309|6.816438|7.900474|13.828619|36.858105| |1.497528|1.659092|1.864989|2.115942|17.904485|2.994737|3.797306|3.210530|5.360212|4.989831|5.017058|0.133412|4.171906|3.328891|4.121741|2.783641|4.318564|7.405766|5.578155|3.742583|3.162989|2.793940|2.791187|3.156297|3.751916|4.188110|2.886525|7.876218|6.855301|7.930741|13.526714|36.858105| |1.599573|1.793586|2.031117|2.351855|20.200948|3.548315|4.481051|3.948194|7.041935|6.224461|7.572390|0.203593|5.652983|4.143727|4.992476|3.287233|5.734766|9.856159|6.685030|4.170960|3.526725|2.980662|2.859503|3.162066|3.869810|4.125609|2.773550|13.620992|7.974220|6.911502|7.917373|13.827535|36.858105| |1.370678|1.500702|1.673620|1.865407|15.573412|2.518846|3.204183|2.650009|4.288202|4.083696|3.867398|0.108044|3.385969|2.781270|3.445606|2.415553|3.665487|6.592041|4.838615|3.474733|3.046825|2.793387|2.834222|3.160053|3.568984|3.819081|2.945886|5.181473|4.622483|5.297910|8.163973|14.169791|7.902232|73.516695| |1.322068|1.443399|1.605144|1.782772|14.823600|2.387677|3.042265|2.515958|4.062489|3.865379|3.702083|0.109211|3.300678|2.691992|3.290361|2.365991|3.733105|7.159956|4.803700|3.559078|3.270119|3.025615|2.999264|3.208165|3.527766|3.500302|2.910819|4.519313|3.804713|3.993613|5.245697|8.037910|6.761680|24.192459|36.858105| |1.414207|1.546901|1.718390|1.906692|15.697345|2.497334|3.209400|2.595723|4.040704|3.900776|3.364935|0.087210|2.996149|2.611541|3.374319|2.285656|3.003637|5.037193|4.149286|2.893811|2.474074|2.286011|2.381973|2.744021|3.109693|3.705900|2.711702|4.603019|5.185073|7.885274|14.150052|8.158734|5.291654|13.108830|4.784918|73.516695| |1.412540|1.538246|1.698076|1.867547|15.132821|2.359659|3.057779|2.423419|3.661331|3.576551|2.916710|0.074800|2.645344|2.389178|3.159603|2.121148|2.592152|4.305001|3.617610|2.518593|2.171544|2.024240|2.119841|2.435292|2.720793|3.276602|2.460921|3.790932|4.515478|6.742608|8.040307|5.248526|3.991551|8.514872|3.545172|24.245034|36.858105| |17.539159|8.774683|6.781384|4.507739|25.047012|2.774224|3.651519|2.268988|2.912997|3.238527|1.845313|0.049704|1.715156|1.783877|2.774188|1.635446|1.515649|2.604541|1.930853|1.284657|1.222232|1.123932|1.084426|1.126359|1.227373|1.281059|1.069164|1.757440|1.822043|1.692795|1.543377|1.501688|1.590873|2.445558|1.319739|2.552633|1.443756|0.500000| |17.539497|8.774807|6.781569|4.507642|25.045072|2.774645|3.643534|2.267051|2.915363|3.244539|1.848764|0.050489|1.722330|1.790011|2.770877|1.644892|1.526569|2.647918|1.927460|1.283475|1.232153|1.131950|1.084339|1.117848|1.215878|1.255225|1.054711|1.729240|1.756468|1.617107|1.488113|1.470166|1.573272|2.404249|1.312628|2.450389|1.368850|0.301667|0.500000| |17.550021|8.777857|5.458869|4.053966|21.783667|2.551759|3.484507|2.181001|2.750591|2.982408|1.752416|0.047276|1.661571|1.751733|2.724102|1.632563|1.472855|2.530796|1.880732|1.253225|1.199404|1.103694|1.061175|1.097009|1.192504|1.236340|1.038810|1.646174|1.691458|1.562894|1.429598|1.400502|1.491449|2.287258|1.242860|2.362151|1.330128|0.301663|0.301667|0.500000| |8.859511|17.516715|8.853647|6.919056|30.515611|3.531242|4.972069|2.935991|3.572984|3.892633|2.189934|0.057798|2.063102|2.211381|3.583928|2.019639|1.775849|3.001622|2.256482|1.475764|1.393293|1.266333|1.216342|1.268861|1.399011|1.466103|1.195065|2.038995|2.128939|1.926691|1.718935|1.668404|1.795653|2.672285|1.436085|2.795535|1.575426|0.210715|0.172950|0.212795|0.500000| |8.859846|17.516886|8.853762|6.918379|30.511400|3.532020|4.951971|2.931762|3.577255|3.902939|2.195634|0.059032|2.075501|2.222978|3.576775|2.037347|1.793333|3.068037|2.251084|1.473969|1.407922|1.277739|1.216210|1.256805|1.382163|1.427984|1.175112|1.995590|2.026981|1.817922|1.644033|1.625768|1.770612|2.618997|1.426989|2.663663|1.480108|0.172952|0.210725|0.212804|0.303833|0.500000| |6.873868|8.850264|17.526604|8.851884|46.787913|4.306265|5.270778|3.096652|4.014632|4.743979|2.432605|0.066520|2.187656|2.252740|3.570919|1.993999|1.888664|3.274290|2.333134|1.526835|1.455305|1.318897|1.255476|1.299156|1.431655|1.481260|1.213523|2.232350|2.248786|2.016617|1.833371|1.822964|1.990160|2.931321|1.596065|2.956706|1.630999|0.169118|0.203965|0.140456|0.173671|0.211728|0.500000| |6.874111|8.850515|17.525567|8.852706|46.800436|4.304672|5.294867|3.101548|4.008472|4.725324|2.424791|0.064764|2.173084|2.240607|3.577955|1.977328|1.868210|3.193756|2.339113|1.528809|1.439124|1.306330|1.255605|1.312486|1.450408|1.523975|1.235550|2.293652|2.390681|2.168487|1.939157|1.883747|2.025930|3.006681|1.608817|3.140515|1.761478|0.203970|0.169126|0.140458|0.211729|0.173673|0.303417|0.500000| |4.523350|6.833956|8.803520|17.624074|56.435200|6.529681|9.352584|4.714163|5.485195|6.209599|3.091441|0.079380|2.812192|3.030316|5.239539|2.612934|2.305051|3.835759|2.866567|1.822046|1.693141|1.510244|1.442801|1.518288|1.708300|1.806245|1.412925|2.809943|2.961167|2.557935|2.210974|2.142893|2.365465|3.335150|1.774294|3.486965|1.941017|0.119381|0.111033|0.108363|0.206312|0.170584|0.173268|0.211171|0.500000| |4.523228|6.833093|8.805116|17.619204|56.433921|6.536045|9.220400|4.696701|5.501214|6.252949|3.107810|0.082694|2.844018|3.060417|5.216919|2.651648|2.343883|3.978072|2.855505|1.818677|1.719713|1.529795|1.442594|1.497697|1.677798|1.736125|1.380166|2.699276|2.703012|2.317828|2.057609|2.054553|2.309047|3.233092|1.757280|3.239896|1.770089|0.111031|0.119387|0.108355|0.170545|0.206266|0.211251|0.173285|0.302660|0.500000| |2.189929|2.656576|2.836990|3.648597|25.258544|4.948754|9.920101|9.468333|8.133150|6.196912|4.934144|0.115902|5.860484|9.172547|26.072451|7.527165|4.171750|6.287092|5.105062|2.952941|2.675474|2.249841|2.084699|2.204304|2.605488|2.703520|1.956009|3.868488|3.805899|3.021705|2.600003|2.619506|3.079173|3.979487|2.149657|3.938791|2.104513|0.057821|0.057932|0.057802|0.076651|0.076907|0.073199|0.072977|0.109351|0.110088|0.500000| |1.686748|1.950365|2.045467|2.439154|17.468794|3.128783|5.139937|4.719633|5.513004|4.317272|4.182564|0.099879|5.902998|8.907412|9.597595|17.537372|4.999537|6.975280|7.173466|4.027143|3.505059|2.869012|2.658469|2.859702|3.493347|3.582947|2.472324|3.608708|3.535297|2.960840|2.627051|2.658080|3.045207|4.102529|2.222808|4.034984|2.142559|0.045217|0.044954|0.045177|0.056238|0.055737|0.053732|0.054180|0.072027|0.070974|0.199299|0.500000| |1.747757|2.030199|2.128764|2.551707|18.160167|3.261497|5.395310|4.913180|5.664551|4.462149|4.201972|0.105957|5.880687|8.945584|9.805429|17.540502|4.969056|7.425495|6.301620|3.646949|3.427263|2.792713|2.492961|2.568587|3.038755|2.953599|2.200010|3.361074|3.123280|2.601703|2.363281|2.464075|2.886862|3.860004|2.149771|3.639471|1.912637|0.046256|0.047040|0.046776|0.057601|0.059125|0.056694|0.055343|0.073413|0.076657|0.217216|0.301729|0.500000| |1.561551|1.784049|1.890044|2.226057|16.431117|2.925501|4.559275|4.224193|5.391520|4.212175|4.486869|0.112599|6.996042|8.814532|7.738644|17.680328|7.097227|9.605247|10.127094|5.404193|4.858896|3.688647|3.223964|3.359490|4.176129|3.892923|2.748092|3.746671|3.400290|2.865051|2.654415|2.815058|3.308272|4.411290|2.466490|4.063057|2.098418|0.041834|0.042170|0.041689|0.050538|0.051128|0.050604|0.050030|0.063884|0.065091|0.147663|0.300918|0.301919|0.500000| |1.485614|1.680324|1.812336|2.115142|16.294596|2.894174|4.253504|3.950447|5.609631|4.395401|5.267415|0.124967|7.664752|6.664607|6.393434|6.432187|9.523403|10.942045|26.106543|9.219759|5.842881|4.314963|4.061393|4.792408|7.304969|7.601532|3.776151|5.234186|4.763388|4.078903|3.819812|4.062536|4.722941|6.111665|3.274212|5.640979|2.817213|0.040469|0.040055|0.039363|0.047742|0.047070|0.048399|0.049130|0.061074|0.059680|0.112139|0.169961|0.131923|0.207214|0.500000| |1.290660|1.432822|1.533265|1.740121|13.355806|2.251149|3.192072|2.775694|4.003836|3.397424|3.617342|0.103250|4.515938|3.958770|4.190488|4.169462|6.743332|13.417845|9.796730|8.927815|17.783419|8.919787|5.653819|4.932663|5.616085|4.094934|3.543682|3.321739|2.833548|2.563738|2.618455|3.003515|3.451372|5.095430|3.111736|4.121196|2.042708|0.034878|0.035425|0.034361|0.039884|0.040701|0.042037|0.041137|0.048580|0.050085|0.078453|0.100189|0.104375|0.146697|0.148409|0.500000| |1.107440|1.210383|1.283469|1.425017|10.842792|1.759834|2.462219|2.058542|2.946249|2.614219|2.540483|0.072222|2.909880|2.657807|3.028996|2.803479|3.748761|7.161260|5.692293|5.662671|8.951064|17.717499|8.918127|5.629352|4.929389|3.541246|4.108614|2.480295|2.216352|2.111611|2.214639|2.488536|2.657268|4.463730|2.755656|3.654879|1.833726|0.030083|0.030448|0.029644|0.033716|0.034229|0.035276|0.034715|0.039804|0.040659|0.058099|0.072114|0.072313|0.091916|0.099011|0.215006|0.500000| |1.037479|1.127720|1.193133|1.315362|9.995539|1.604325|2.235604|1.849924|2.643905|2.373284|2.253182|0.062395|2.512488|2.314316|2.702278|2.411878|3.087757|5.543301|4.941544|4.974956|5.661934|8.941027|17.712524|8.934472|5.634922|4.075491|7.116886|2.317364|2.149850|2.131647|2.273607|2.483944|2.507524|4.556223|2.719589|3.879576|1.963258|0.028392|0.028396|0.027812|0.031616|0.031622|0.032600|0.032593|0.037062|0.037072|0.051898|0.064761|0.061255|0.076543|0.092047|0.124362|0.215644|0.500000| |1.367795|1.522437|1.650283|1.882139|14.768659|2.511007|3.504999|3.063465|4.550036|3.860386|4.169464|0.103015|4.627774|3.946229|4.473791|3.648009|5.384703|7.913704|9.751877|6.928869|4.660754|3.979439|4.249384|5.721741|8.823477|17.570134|4.933986|5.071380|4.993698|5.089632|5.284907|5.400458|5.280943|8.232611|4.059227|7.988792|3.814721|0.037747|0.036916|0.036171|0.043255|0.042025|0.044168|0.045604|0.054279|0.051900|0.080442|0.101264|0.084150|0.108730|0.228436|0.110524|0.090611|0.098024|0.500000| |1.317509|1.465404|1.561632|1.774299|13.484867|2.268710|3.266791|2.820145|3.955027|3.358627|3.406727|0.084372|4.018920|3.787555|4.311890|3.853792|4.517922|6.596671|8.684979|6.478892|4.498642|3.951264|4.333959|5.983216|8.780610|17.485659|5.338565|3.756051|3.828697|3.790323|3.688853|3.629093|3.658919|5.776552|2.978838|5.913048|3.061972|0.036248|0.035402|0.035137|0.041941|0.040655|0.041576|0.042957|0.051635|0.049280|0.080246|0.113246|0.088184|0.116954|0.223628|0.105838|0.090015|0.100669|0.301377|0.500000| |1.226320|1.349411|1.444241|1.618316|12.464706|2.050179|2.865753|2.419630|3.492509|3.069270|3.022590|0.077411|3.318100|3.009382|3.535069|2.954648|3.807394|5.984895|6.671622|5.583990|4.161275|3.950732|4.710590|7.138455|8.809452|17.646233|7.531913|3.481564|3.514834|3.741967|3.976075|3.937866|3.673554|6.660316|3.385696|6.762105|3.416304|0.033914|0.033109|0.032649|0.038403|0.037253|0.038720|0.040017|0.046665|0.044638|0.065885|0.083851|0.070474|0.088833|0.147912|0.096057|0.090020|0.111931|0.303829|0.303759|0.500000| |1.082974|1.177713|1.254560|1.384051|10.631624|1.705910|2.354961|1.946312|2.814592|2.541502|2.402062|0.064322|2.580502|2.348639|2.799470|2.343120|3.021591|5.123224|4.948571|4.531568|3.947242|4.313416|5.945705|8.793986|6.573427|6.335203|17.544579|2.669387|2.598245|2.749040|3.035959|3.161680|2.935343|5.873016|3.210926|5.427611|2.741793|0.029934|0.029442|0.028920|0.033273|0.032606|0.033972|0.034729|0.039437|0.038336|0.053036|0.065032|0.058004|0.071232|0.100011|0.090022|0.100166|0.155858|0.144094|0.140390|0.230025|0.500000| |1.081553|1.179098|1.244970|1.376560|10.403019|1.674789|2.355089|1.948231|2.750269|2.457275|2.308846|0.060968|2.563918|2.413837|2.868129|2.500288|2.961055|4.879560|5.020519|4.568709|3.949605|4.281244|5.866296|8.792350|6.667665|6.494364|17.550125|2.494219|2.464336|2.544884|2.673313|2.717253|2.617163|4.817892|2.619723|4.675517|2.443731|0.029814|0.029296|0.029016|0.033481|0.032756|0.033554|0.034336|0.039477|0.038299|0.055012|0.070908|0.061663|0.076704|0.104778|0.090062|0.099248|0.152637|0.134541|0.165061|0.220507|0.302165|0.500000| |1.019575|1.105656|1.168559|1.283923|9.743903|1.554277|2.162939|1.777256|2.532397|2.289217|2.131490|0.057691|2.331613|2.167729|2.582618|2.230202|2.740419|4.719068|4.455960|4.184350|3.993846|4.816890|7.405405|8.873030|5.553916|4.699216|17.589253|2.276120|2.193211|2.253610|2.420010|2.540096|2.451346|4.673961|2.648688|4.264722|2.195693|0.028075|0.027769|0.027347|0.031195|0.030779|0.031726|0.032183|0.036487|0.035823|0.049609|0.061759|0.056046|0.068753|0.088410|0.090917|0.114758|0.230995|0.107601|0.115000|0.146879|0.302552|0.302413|0.500000| |1.970466|2.287268|2.606064|3.179499|26.692231|5.113655|6.922218|6.184882|9.736145|8.120452|6.895933|0.141661|5.607533|5.115600|7.405341|3.827449|4.297628|6.458458|5.447963|3.198666|2.684748|2.299852|2.243438|2.512905|3.059287|3.557012|2.299889|8.930048|17.729612|8.932654|5.648126|4.944065|5.648271|6.519404|3.141123|7.455143|3.925366|0.054746|0.052308|0.050804|0.065754|0.061676|0.067503|0.072966|0.095047|0.083800|0.122634|0.106325|0.092245|0.096237|0.124771|0.073677|0.057638|0.055605|0.119563|0.100134|0.088320|0.065760|0.064104|0.056669|0.500000| |1.683089|1.882561|2.106116|2.405339|19.751587|3.261004|4.265930|3.459475|5.262759|4.991553|4.080688|0.097083|3.585258|3.254119|4.425490|2.746497|3.241716|5.127777|4.428479|2.855663|2.398985|2.145664|2.181555|2.503344|2.952295|3.624169|2.410846|5.666008|8.941615|17.761015|8.942643|5.634617|4.975628|7.591538|3.330050|12.562295|7.512155|0.047576|0.044839|0.043729|0.054105|0.050201|0.055178|0.060502|0.070987|0.062766|0.079576|0.077784|0.067484|0.072998|0.099842|0.063708|0.053643|0.054922|0.122696|0.098684|0.096910|0.071558|0.067435|0.059105|0.217621|0.500000| |1.552501|1.734367|1.958047|2.254250|19.266118|3.345806|4.229880|3.707205|6.546526|5.830798|7.114023|0.225586|5.545906|4.007964|4.732858|3.236585|6.129121|11.891026|6.720031|4.312919|3.813088|3.196415|2.982351|3.193382|3.835646|3.820631|2.741441|8.928203|5.679914|4.975977|5.633821|8.957825|17.767894|12.621693|7.569945|7.594164|3.331814|0.042669|0.042704|0.040269|0.047868|0.047916|0.053872|0.053802|0.062164|0.062275|0.081963|0.081401|0.080127|0.092283|0.124093|0.106008|0.079917|0.072512|0.129325|0.093647|0.094415|0.079773|0.070743|0.068163|0.124418|0.107977|0.500000| |1.237979|1.341162|1.482218|1.627801|13.382996|2.112785|2.703939|2.202937|3.477727|3.348566|3.060263|0.089541|2.794854|2.347227|2.898480|2.107506|3.140310|5.991535|4.144118|3.159222|2.967172|2.847967|2.880740|3.048002|3.213751|3.170734|2.849288|3.620013|3.192004|3.417010|4.409215|5.895880|4.922982|17.018978|17.645978|7.759338|3.339501|0.034396|0.034188|0.032422|0.037062|0.036804|0.041014|0.041372|0.044997|0.044539|0.053315|0.055469|0.053655|0.061133|0.079129|0.077932|0.073006|0.074264|0.098696|0.075359|0.087759|0.088495|0.070723|0.073280|0.075192|0.082046|0.147389|0.500000| |1.307687|1.433154|1.584349|1.770412|14.547161|2.379704|3.086445|2.594002|4.158554|3.836954|3.904029|0.115589|3.634310|2.914458|3.463587|2.584590|4.375999|8.621574|5.675010|4.341658|3.995030|3.647648|3.564765|3.790204|4.216757|3.981994|3.296098|4.609188|3.773883|3.818867|4.773096|7.085836|6.787989|16.432089|17.561591|7.531273|3.239537|0.036090|0.036029|0.034257|0.039668|0.039587|0.043692|0.043800|0.049050|0.048900|0.062693|0.066809|0.064709|0.076291|0.103816|0.104100|0.090702|0.087781|0.127544|0.091959|0.104488|0.099928|0.080834|0.082591|0.087257|0.088550|0.227501|0.299677|0.500000| |1.375838|1.502364|1.684395|1.870216|15.801080|2.532481|3.166925|2.600628|4.272704|4.160693|3.864843|0.118844|3.313602|2.693625|3.333455|2.336077|3.648326|7.184876|4.493321|3.233392|3.037665|2.780347|2.688062|2.813645|3.098672|3.054994|2.539714|4.571987|3.741789|3.787424|4.733594|7.024540|6.742396|16.433859|17.559093|7.486922|3.234547|0.038107|0.038122|0.035779|0.041252|0.041270|0.046857|0.046830|0.051192|0.051230|0.060407|0.060406|0.059626|0.066989|0.084829|0.082773|0.071626|0.068068|0.097575|0.074262|0.080995|0.076141|0.064346|0.064937|0.086648|0.087946|0.227821|0.300019|0.298972|0.500000| |1.319649|1.424653|1.563018|1.699126|13.647709|2.093529|2.716879|2.134912|3.196925|3.143360|2.537777|0.066256|2.332000|2.120820|2.799052|1.913158|2.320955|3.909561|3.252144|2.314994|2.027093|1.921236|2.029614|2.315883|2.521536|2.976408|2.386096|3.182195|3.617883|4.912505|5.893990|4.409344|3.415207|7.761988|3.338260|17.026327|17.644750|0.037512|0.035621|0.034625|0.040438|0.038112|0.041897|0.045053|0.048818|0.044867|0.052314|0.053626|0.048311|0.052931|0.069553|0.052862|0.048649|0.052846|0.093311|0.076959|0.088088|0.074553|0.065606|0.059821|0.089244|0.146599|0.082095|0.090592|0.084196|0.084211|0.500000| |1.500426|1.633570|1.817077|1.992504|16.304181|2.505564|3.200888|2.495247|3.772963|3.778488|2.919957|0.074762|2.591480|2.360739|3.190900|2.075206|2.476374|4.122855|3.386553|2.320646|2.022734|1.875441|1.937406|2.191262|2.449607|2.889569|2.187334|3.761287|4.596884|6.755709|7.090666|4.785236|3.823223|7.558153|3.250381|16.447048|17.554978|0.042849|0.040311|0.039066|0.046510|0.043334|0.048330|0.052868|0.057624|0.051874|0.059128|0.058189|0.052374|0.056344|0.073200|0.053544|0.047567|0.049929|0.092798|0.076412|0.081818|0.066519|0.060471|0.054732|0.113791|0.224635|0.088765|0.084493|0.082128|0.085285|0.299873|0.500000| 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