Version2.0 2019-11-13T22:37:12Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]1CN(C[C@H](O1)C)C(=O)c2csc(n2)C[NH+](Cc3ccc(cc3)C(C)(C)C)Cc4ccc(cc4)F C35405075 RHF 6-31G(d) (6D,7F) C[C@H]1CN(C[C@H](O1)C)C(=O)c2csc(n2)C[NH+](Cc3ccc(cc3)C(C)(C)C)Cc4ccc(cc4)F C01[X(C29H37F1N3O2S1)] 213 C1 618 Fc1ccc(cc1)C[NH+](Cc1scc(n1)C(=O)N1C[C@H](C)O[C@@H](C1)C)Cc1ccc(cc1)C(C)(C)C Fc1ccc(cc1)C[NH](Cc1scc(n1)C(=O)N1C[C@H](C)O[C@@H](C1)C)Cc1ccc(cc1)C(C)(C)C C[C@H]1CN(C[C@@H](C)O1)C(=O)c2csc(C[NH](Cc3ccc(F)cc3)Cc4ccc(cc4)C(C)(C)C)n2 InChIKey=RLRWFEWBTQBLME-OYRHEFFESA-N InChI=1S/C29H37FN3O2S/c1-20-14-33(15-21(2)35-20)28(34)26-19-36-27(31-26)18-32(17-23-8-12-25(30)13-9-23)16-22-6-10-24(11-7-22)29(3,4)5/h6-13,19-21,32H,14-18H2,1-5H3/t20-,21+ InChI=1/C29H37FN3O2S/c1-20-14-33(15-21(2)35-20)28(34)26-19-36-27(31-26)18-32(17-23-8-12-25(30)13-9-23)16-22-6-10-24(11-7-22)29(3,4)5/h6-13,19-21,32H,14-18H2,1-5H3/t20-,21+ C[C@H]1CN(C[C@H](O1)C)C(=O)c2csc(n2)C[NH+](Cc3ccc(cc3)C(C)(C)C)Cc4ccc(cc4)F C01[X(C29H37F1N3O2S1)] 213 C01 618 Fc1ccc(cc1)C[NH+](Cc1scc(n1)C(=O)N1C[C@H](C)O[C@@H](C1)C)Cc1ccc(cc1)C(C)(C)C Fc1ccc(cc1)C[NH](Cc1scc(n1)C(=O)N1C[C@H](C)O[C@@H](C1)C)Cc1ccc(cc1)C(C)(C)C C[C@H]1CN(C[C@@H](C)O1)C(=O)c2csc(C[NH](Cc3ccc(F)cc3)Cc4ccc(cc4)C(C)(C)C)n2 InChIKey=RLRWFEWBTQBLME-OYRHEFFESA-N InChI=1S/C29H37FN3O2S/c1-20-14-33(15-21(2)35-20)28(34)26-19-36-27(31-26)18-32(17-23-8-12-25(30)13-9-23)16-22-6-10-24(11-7-22)29(3,4)5/h6-13,19-21,32H,14-18H2,1-5H3/t20-,21+ InChI=1/C29H37FN3O2S/c1-20-14-33(15-21(2)35-20)28(34)26-19-36-27(31-26)18-32(17-23-8-12-25(30)13-9-23)16-22-6-10-24(11-7-22)29(3,4)5/h6-13,19-21,32H,14-18H2,1-5H3/t20-,21+ 4197.3031608902 -1929.5562172 1-A 19998.1925 136 482 618 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12.4729 2.1406 6.1136 14.8891 11.4002 12.8254 0.4494 3.7894 3.2981 1.7399 14.7764 0.9951 4.1178 2.3100 0.3453 1.8767 1.3688 0.8962 7.0004 13.8268 18.9534 3.3738 7.2247 23.1716 13.6487 10.3328 1.4643 9.6195 17.4671 8.7875 9.2422 18.4631 20.8619 2.2986 4.4780 53.6802 1.5395 9.1499 3.1174 7.5452 85.2281 33.0123 13.5844 37.1543 170.1072 24.7640 2.1041 4.7211 28.4430 121.2849 278.7861 160.5776 9.7349 51.6019 33.6729 12.9658 38.4074 47.3611 15.9478 63.7209 175.2913 57.2307 257.2462 15.1187 111.8952 59.9245 46.5688 69.6158 30.5407 22.6518 73.0975 90.3228 85.2853 53.2876 69.6938 104.1780 113.4404 93.8736 88.8919 12.0830 0.7193 0.7410 0.6159 0.7402 0.7496 0.7117 0.6459 0.7471 0.7405 0.6404 0.7467 0.7461 0.7056 0.7258 0.5520 0.7331 0.1677 0.1862 0.7499 0.7497 0.5021 0.3147 0.5521 0.5803 0.2424 0.4955 0.6029 0.2090 0.7491 0.6933 0.5867 0.5585 0.7464 0.0957 0.7318 0.7475 0.6553 0.6921 0.6014 0.1459 0.2374 0.7271 0.7471 0.7500 0.7499 0.7421 0.7043 0.5605 0.7321 0.1054 0.1828 0.7492 0.5775 0.2953 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0.0898 0.7148 0.2094 0.6855 0.0822 0.5154 0.6307 0.5792 0.8522 0.8536 0.8442 0.1874 0.7736 0.8405 0.7798 0.8461 0.6902 0.8567 0.7564 0.7301 0.7315 0.8351 0.8568 0.4123 0.8490 0.8567 0.8557 0.7256 0.8549 0.8539 0.8571 0.8424 0.7679 0.7803 0.8564 0.8324 0.8542 0.8465 0.8554 0.2679 0.3087 0.2578 0.8550 0.6612 0.7850 0.8571 0.6680 0.7257 0.3523 0.5087 0.5159 0.4480 0.6852 0.2873 0.5967 0.0777 0.0218 0.0178 0.8348 0.8146 0.2093 0.8564 0.8533 0.8156 0.7933 0.8560 0.0312 0.8439 0.7524 0.8208 0.8465 0.7815 0.7927 0.4160 0.5945 0.8101 0.4786 0.6461 0.4795 0.6547 0.3017 0.2686 0.5294 0.3829 0.4903 0.1641 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 72 73 6 6 1 6 7 6 6 1 8 6 6 8 6 6 16 6 7 6 7 1 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 9 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 1.00783 12.00000 14.00307 12.00000 12.00000 1.00783 15.99491 12.00000 12.00000 15.99491 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 14.00307 1.00783 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 12.00000 12.00000 12.00000 12.00000 18.99840 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 20406.6143 23039.9952 28426.0004 0.99967 0.02487 0.00638 -0.02441 0.99764 -0.06417 -0.00796 0.06399 0.99792 1 0.00424 0.00376 0.00305 0.08844 0.07833 0.06349 13.68 23.58 27.00 38.01 40.72 47.86 54.06 72.35 81.99 92.84 103.56 116.38 133.13 151.75 181.07 233.23 244.99 252.73 283.55 319.02 326.87 345.16 350.42 356.82 362.63 371.09 376.62 414.05 422.75 437.89 464.31 485.70 489.35 509.90 519.82 530.69 533.26 565.16 569.23 583.93 613.41 650.68 662.44 663.31 670.79 677.64 689.78 704.16 719.70 731.90 748.49 781.95 802.99 832.81 839.54 878.09 902.12 922.53 949.50 1004.05 1008.75 1029.75 1057.33 1120.94 1149.44 1176.10 1215.69 1232.12 1251.77 1276.27 1300.73 1317.05 1326.09 1331.18 1338.56 1355.21 1361.84 1375.06 1379.84 1387.76 1399.95 1403.03 1415.13 1442.54 1452.95 1459.39 1470.51 1471.73 1491.47 1516.41 1545.76 1557.85 1577.89 1582.79 1589.82 1597.43 1600.15 1603.93 1615.26 1639.58 1650.10 1659.30 1666.63 1722.45 1731.56 1735.38 1755.25 1774.60 1776.29 1805.16 1823.23 1830.24 1840.86 1851.15 1873.78 1875.35 1900.79 1903.30 1908.40 1922.08 1925.29 1943.30 1945.95 1980.50 1984.22 1993.92 2006.40 2029.85 2030.78 2056.35 2084.69 2097.61 2102.22 2126.72 2127.47 2161.61 2186.84 2193.99 2230.09 2230.80 2234.08 2238.25 2240.35 2247.68 2259.25 2265.32 2275.96 2277.84 2279.38 2287.02 2287.81 2316.04 2344.47 2346.45 2346.84 2349.89 2355.05 2355.45 2357.70 2363.60 2366.55 2367.92 2374.68 2374.91 2376.41 2385.66 2399.46 2435.96 2439.32 2447.93 2519.58 2536.59 2571.16 2612.00 2613.72 2788.03 4523.94 4551.65 4601.01 4613.28 4616.43 4620.04 4624.08 4628.18 4632.31 4705.66 4712.10 4712.92 4713.66 4715.23 4718.74 4718.80 4721.24 4726.82 4728.93 4729.75 4746.83 4747.35 4795.08 4806.13 4807.43 4814.88 4822.40 4825.28 4826.77 4828.77 4841.06 4888.37 4908.69 4909.52 4924.03 4996.22 5279.00 0.667506 0.700306 0.701251 0.598592 -1928.888711 -1928.855911 -1928.854967 -1928.957626 3.443200D-04 MUNgauss RevisionA1.9 retrievium 13-Nov-2019 DUDE C[C@H]1CN(C[C@H](O1)C)C(=O)c2csc(n2)C[NH+](Cc3ccc(cc3)C(C)(C)C)Cc4ccc(cc4)F C35405075 RHF 6-31G(d) (6D,10F) C1 510.259026 |X|Y|Z| 84.329327 93.310896 64.651127 79.829308 28 6 7 8 16 23 3 1 1 |36.858105| |12.557761|36.858105| |8.873669|17.467715|0.500000| |7.543483|12.511549|0.248240|36.858105| |5.019384|7.820067|0.196370|13.025910|53.358707| |4.517694|6.714231|0.164449|7.826461|17.751263|36.858105| |5.210626|8.073851|0.202506|6.702501|10.633220|12.496595|36.858105| |4.783397|7.277089|0.220986|5.909644|9.617741|8.936188|17.448984|0.500000| |8.073240|13.544554|0.259760|7.925410|9.324249|7.949936|13.625752|0.259875|73.516695| |4.059420|5.207164|0.132928|4.512899|6.830709|7.543486|12.549958|0.246069|14.395523|36.858105| |3.890114|5.213811|0.139514|7.932619|19.067933|7.689896|5.141393|0.137771|8.183316|3.833148|36.858105| |3.730879|4.625822|0.123241|7.068152|11.493462|5.393016|4.058154|0.109008|6.957616|3.169624|15.895069|73.516695| |3.058976|3.922198|0.109012|5.018593|10.501696|6.376068|4.453626|0.124160|6.655555|3.586412|12.654693|14.624202|36.858105| |2.585397|3.138093|0.086296|3.915798|7.099379|4.614212|3.451818|0.094925|5.362837|2.956641|7.654301|11.979031|14.182820|36.858105| |2.178458|2.593597|0.072777|3.016101|5.220153|3.688611|2.969423|0.083834|4.554874|2.668337|4.788059|7.589460|7.543149|11.070272|388.023441| |2.414485|2.973368|0.085567|3.358810|6.108686|4.457297|3.626850|0.106792|5.299560|3.199449|5.261615|7.622350|8.682109|7.923947|78.555895|36.858105| |2.879733|3.710596|0.107356|4.302411|8.619878|6.060477|4.627663|0.137920|6.543666|3.808397|7.491131|9.638576|13.787918|8.306739|53.245046|14.934968|53.358707| |2.168512|2.618878|0.076442|2.809337|4.832964|3.673247|3.246896|0.098054|4.757344|2.997603|3.840406|5.791927|5.246124|4.892560|47.597330|12.645390|10.673705|36.858105| |2.309524|2.816150|0.084822|2.907496|4.932745|3.741525|3.520584|0.112382|5.115545|3.207564|3.715942|5.579881|4.651310|4.017672|33.280389|7.772554|9.481176|12.787299|53.358707| |2.610253|3.278570|0.099507|3.358420|5.885617|4.571398|4.323832|0.142963|6.029701|3.830312|4.269162|6.170998|5.262882|4.235038|32.445890|7.769488|11.449888|9.446385|25.650745|0.500000| |2.276749|2.736979|0.084368|2.828910|4.643482|3.293402|3.135130|0.100696|4.770949|2.775460|3.579910|5.588909|4.292046|3.764968|30.080388|6.143787|7.924788|7.634764|17.053614|0.258403|36.858105| |2.446919|2.935018|0.093825|2.907075|4.602583|3.236768|3.263406|0.108885|5.059512|2.851277|3.376024|5.320251|3.719012|3.178876|23.533703|4.469175|6.424100|5.002931|10.342107|0.205369|12.659549|36.858105| |2.957284|3.658577|0.123051|3.532584|5.561191|3.790709|3.937991|0.137943|6.139443|3.259532|3.907957|6.069337|4.042790|3.291505|22.759829|4.272226|6.770353|4.329032|8.151740|0.190054|7.568866|13.661679|36.858105| |3.056806|3.647442|0.126355|3.325366|4.883327|3.351655|3.681657|0.128251|6.054456|3.094536|3.320267|5.319550|3.261114|2.725198|18.585755|3.283725|5.112507|3.321912|5.841722|0.132531|5.032588|7.917278|13.818483|36.858105| 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|2.601506|2.769162|0.091168|2.495498|3.371682|2.309353|2.528107|0.080425|4.518315|2.236868|2.332087|3.974609|2.225526|1.968184|13.391279|2.177271|3.244527|2.187073|3.502282|0.075136|2.922539|3.758001|4.387387|6.223565|7.584493|5.282617|4.010035|12.358133|36.858105| |2.084798|2.240345|0.071109|2.045588|2.852242|2.036776|2.229535|0.070650|3.852066|2.066002|1.987698|3.338649|1.971605|1.771566|12.501375|2.045659|2.951694|2.149318|3.495879|0.072984|2.873282|3.688050|3.825582|4.937819|7.464300|6.593338|4.454945|12.401908|7.644577|36.858105| |2.706972|2.928972|0.095899|2.521143|3.456093|2.502508|2.901395|0.094600|5.093006|2.661171|2.301316|3.794744|2.217907|1.937286|13.306096|2.215847|3.316705|2.277192|3.732119|0.081928|2.917181|3.754727|4.381267|6.225953|7.583034|5.268963|4.002685|12.359012|7.560433|7.645674|36.858105| |2.079203|2.471694|0.073957|2.473329|4.020988|3.148656|3.115853|0.098559|4.593014|3.005504|2.934072|4.516767|3.464285|3.104437|25.450315|5.044105|6.295204|7.635551|17.124161|0.256212|7.578277|6.138418|4.811847|3.835697|3.585034|4.059846|5.307698|2.835343|2.447891|2.603929|2.733739|36.858105| |2.091605|2.484107|0.072836|2.456904|3.987076|3.296817|3.321203|0.102835|4.789709|3.396938|2.828269|4.313824|3.284221|2.940403|23.551171|4.494639|5.795977|6.116580|10.307599|0.203158|4.962894|4.432541|3.938942|3.326455|3.092293|3.322383|3.945778|2.561848|2.221611|2.354591|2.579575|12.653064|36.858105| |2.312683|2.770281|0.081384|2.650592|4.260083|3.653891|3.924278|0.124018|5.520385|4.186072|2.888777|4.365819|3.210774|2.792461|21.093435|3.949686|5.523543|4.733901|8.042776|0.184310|4.283926|4.215824|4.056544|3.559797|3.261480|3.349475|3.763247|2.742593|2.349194|2.474253|2.873619|7.591570|13.670734|36.858105| |2.232744|2.625597|0.075140|2.493269|3.920969|3.463208|3.781004|0.112961|5.387342|4.414359|2.628211|4.011512|2.856667|2.529250|18.811702|3.326306|4.662512|3.773515|5.783400|0.130119|3.292668|3.247425|3.220319|2.943991|2.728769|2.748454|2.974768|2.396781|2.087677|2.188399|2.568487|5.031346|7.894419|13.792723|36.858105| |1.974842|2.282366|0.064390|2.219037|3.473146|3.027184|3.148089|0.090743|4.613220|3.642615|2.390353|3.697388|2.637576|2.413223|18.400800|3.134723|4.220782|3.591915|5.124747|0.109686|2.940012|2.798382|2.715493|2.475177|2.325003|2.378518|2.594011|2.064780|1.828395|1.920549|2.175589|4.469589|6.910074|8.018981|13.785256|36.858105| |1.827866|2.108481|0.059720|2.095186|3.307657|2.804206|2.801593|0.081084|4.150783|3.080655|2.345937|3.651969|2.664239|2.494778|19.852827|3.363023|4.311060|4.058805|5.538029|0.112350|3.112920|2.842848|2.665803|2.382875|2.253086|2.359396|2.638576|1.978644|1.761441|1.858305|2.034454|5.015723|7.892255|6.860967|7.885021|13.820502|36.858105| |1.873824|2.185021|0.062829|2.189422|3.509697|2.908040|2.864484|0.085099|4.218501|3.006127|2.529283|3.918019|2.948329|2.748540|22.601060|4.015586|4.972139|5.340834|7.433796|0.142383|3.914773|3.432935|3.091729|2.681299|2.530646|2.712040|3.147776|2.163653|1.912983|2.026702|2.180107|7.551434|13.704014|7.944055|6.864475|8.022695|13.761839|36.858105| |1.875367|2.127582|0.059196|2.060136|3.156300|2.752455|2.880917|0.080755|4.333445|3.436828|2.163717|3.388970|2.338590|2.165620|16.232672|2.658380|3.611089|2.929013|4.090841|0.087572|2.451741|2.362448|2.328945|2.167892|2.049053|2.072928|2.215513|1.861522|1.666727|1.742791|1.979713|3.413946|4.675086|5.329385|8.195709|14.454269|8.197988|5.327390|97.533100| |17.558876|8.835429|0.212423|6.841126|6.247526|3.908341|4.241444|0.112875|10.229308|3.364128|3.777062|6.738070|2.955415|2.530652|15.115570|2.325305|3.743672|2.083026|3.012087|0.068638|2.228413|2.401467|2.899329|3.019428|2.547622|2.195130|2.145897|2.498641|2.678910|2.085127|2.648313|1.981832|1.962056|2.134810|2.040008|1.819382|1.705035|1.761780|3.876141|0.500000| |17.588738|8.884082|0.213723|5.506276|5.668810|3.968920|4.864826|0.128128|13.044632|4.010846|3.307564|5.579413|2.721898|2.321910|14.282601|2.244389|3.591013|2.060677|3.025860|0.069578|2.190433|2.390335|2.881994|3.068261|2.618667|2.237948|2.161002|2.611078|2.704513|2.173469|2.915699|2.039157|2.062917|2.308896|2.244618|1.971137|1.807971|1.843930|4.231751|0.300603|0.500000| |17.573335|8.856231|0.173534|6.853743|6.348729|4.362238|4.817048|0.116874|12.889071|3.965238|3.693988|6.370346|2.922447|2.517136|15.023389|2.297597|3.686157|2.056108|2.926615|0.067018|2.094465|2.207314|2.600898|2.640318|2.258760|1.990311|1.972147|2.195737|2.266474|1.869971|2.367647|1.946852|1.980028|2.179399|2.138188|1.917042|1.773782|1.799657|4.143589|0.300262|0.301432|0.500000| |6.740977|8.847314|0.217344|17.670613|12.481698|5.683476|5.017200|0.132917|10.159105|3.637836|7.580239|14.249573|4.790464|3.852092|20.993106|3.217291|5.499854|2.689838|3.787720|0.087553|2.801847|2.893773|3.521011|3.339144|2.695880|2.388933|2.451411|2.466831|2.584485|2.062316|2.490480|2.354791|2.288862|2.425880|2.258076|2.025936|1.938019|2.044020|4.225756|0.199315|0.139223|0.165083|0.500000| |7.003478|8.853143|0.174301|17.518331|12.344358|6.950974|5.800481|0.134547|12.460604|4.301377|6.640930|11.257030|4.475509|3.695730|20.229367|3.052215|5.130642|2.564621|3.530243|0.081852|2.493160|2.520730|2.959831|2.802406|2.330560|2.102557|2.165840|2.155214|2.196714|1.838755|2.234002|2.245413|2.263705|2.432561|2.339623|2.117747|1.998176|2.058059|4.491833|0.173446|0.142244|0.209157|0.301907|0.500000| |3.637123|5.012312|0.132637|5.659780|12.368434|17.675738|8.876661|0.217350|10.196867|6.800522|7.155878|8.831433|7.395054|5.211973|30.811922|5.600877|10.742824|4.509625|6.094988|0.156259|3.717477|3.508626|3.971832|3.371657|2.755873|2.593904|2.840903|2.380176|2.255997|2.043151|2.456041|3.671105|3.902361|4.257329|3.952246|3.462569|3.248219|3.418083|6.891494|0.090247|0.091698|0.097303|0.127272|0.142016|0.500000| |4.331604|5.851544|0.135397|6.999361|12.383667|17.504276|8.894263|0.174673|12.603622|7.022823|6.477216|8.855495|5.416095|4.296161|24.340490|3.863617|6.631856|3.218471|4.323346|0.103548|2.813469|2.740127|3.116820|2.820693|2.358586|2.187266|2.317345|2.121991|2.060683|1.832918|2.222635|2.751768|2.922754|3.204754|3.157259|2.848967|2.637522|2.669235|5.995913|0.103498|0.105016|0.123783|0.142900|0.205230|0.301334|0.500000| |3.969784|4.820535|0.117037|4.360830|6.348646|6.851085|8.854766|0.173379|12.943826|17.575893|3.645059|5.475288|3.367498|2.852455|18.103064|2.934826|4.666960|2.713032|3.825358|0.090754|2.459784|2.488364|2.798311|2.664868|2.303003|2.124155|2.190463|2.130424|2.014777|1.856782|2.337751|2.635304|2.961223|3.504487|3.770186|3.293720|2.827022|2.714355|7.246386|0.091059|0.107359|0.113498|0.097297|0.122934|0.166422|0.209816|0.500000| |4.008666|4.857810|0.128114|3.963676|5.666502|5.506093|8.884842|0.213390|13.064093|17.586927|3.272742|4.959940|3.061227|2.570827|16.777669|2.808335|4.450869|2.701482|4.020031|0.096402|2.607102|2.749642|3.150284|3.105119|2.686025|2.428299|2.450374|2.504698|2.310352|2.152789|2.860159|2.847692|3.209054|4.036173|4.325122|3.503089|2.917118|2.829263|7.554043|0.091943|0.116051|0.107170|0.091640|0.104336|0.140018|0.142650|0.301784|0.500000| |3.362757|4.236740|0.112794|3.904009|6.245322|6.839084|8.816847|0.211723|10.244321|17.542409|3.704464|5.398331|3.685206|3.061193|20.299002|3.505331|5.566663|3.364530|4.883797|0.119957|2.974403|2.989682|3.318618|3.067151|2.635708|2.466123|2.593036|2.364283|2.167802|2.057039|2.585714|3.418672|4.055777|5.176681|5.682545|4.555757|3.727434|3.581275|9.435114|0.080362|0.091932|0.090964|0.090319|0.102923|0.201392|0.173411|0.300312|0.300178|0.500000| |2.506286|2.960784|0.080117|3.751330|6.363938|4.070393|3.104155|0.083885|4.998345|2.686918|6.762613|12.315387|8.794635|17.811410|55.003019|5.510445|7.807877|3.864590|4.468456|0.095306|3.151725|2.744205|2.856637|2.437805|2.102554|2.062529|2.298792|1.843459|1.837104|1.642974|1.789244|2.644462|2.529463|2.427611|2.240652|2.155433|2.216601|2.398773|4.428614|0.068870|0.062113|0.068713|0.104635|0.101701|0.120933|0.110138|0.073471|0.065484|0.075999|0.500000| |1.966426|2.325983|0.067938|2.493806|4.153621|3.077291|2.759091|0.082710|4.168932|2.563183|3.347870|5.252719|4.420871|4.396986|45.108404|8.821772|7.979410|17.618014|12.367613|0.183333|7.304049|4.667909|3.883374|3.049614|2.767032|3.023897|3.841826|2.263440|2.093478|2.080346|2.132221|6.615337|5.082056|3.937902|3.228556|3.145284|3.614716|4.708417|5.894793|0.053037|0.052049|0.051899|0.067501|0.063732|0.100755|0.076512|0.065328|0.065210|0.078526|0.099971|0.500000| |2.082822|2.496633|0.071782|2.650116|4.511214|3.592875|3.201985|0.094809|4.650215|3.080552|3.485945|5.263205|4.600588|4.366956|41.469954|8.935617|8.677798|17.637768|12.384474|0.214592|5.603270|4.148872|3.702206|2.969271|2.659831|2.820246|3.433346|2.208759|2.018792|2.013561|2.154656|7.477771|7.178667|5.232954|4.272918|4.246354|5.051521|6.907378|7.607212|0.055047|0.055284|0.055408|0.069419|0.068340|0.124307|0.089366|0.077936|0.076779|0.098739|0.098532|0.301308|0.500000| |2.358052|2.849334|0.087374|3.046066|5.076512|3.450201|3.159965|0.099710|4.856283|2.731191|4.115228|6.467164|5.105952|4.483285|35.472648|7.215766|9.322431|7.493991|12.379511|0.217794|17.661133|8.875921|6.925862|4.671588|3.953351|4.264113|5.788854|3.012436|2.822220|2.643105|2.708913|5.598699|4.142023|3.683422|2.955123|2.676919|2.820447|3.436523|5.119514|0.064726|0.062051|0.060334|0.085196|0.074175|0.107599|0.081811|0.068075|0.070345|0.080155|0.102353|0.202546|0.147402|0.500000| |2.017783|2.369360|0.072100|2.443992|3.913229|2.799094|2.676767|0.084061|4.146961|2.432731|3.033005|4.860804|3.601731|3.326537|27.623107|5.153387|6.261087|6.770274|12.361756|0.182211|17.622866|8.830374|5.578957|4.180356|3.936348|4.736800|7.219330|2.996046|2.697179|2.757268|2.667107|7.227376|4.636866|3.851161|3.028455|2.782058|3.018987|3.835130|5.252157|0.055101|0.054222|0.052005|0.067572|0.060891|0.086926|0.068138|0.060736|0.064066|0.072496|0.079121|0.209696|0.144806|0.301198|0.500000| |3.324939|4.319950|0.146657|4.313573|7.172714|4.669522|4.664969|0.165723|7.098387|3.643143|5.010971|7.464328|5.109090|3.908809|25.809388|4.977830|8.669212|4.646929|8.269832|0.208554|6.986668|8.858878|17.686188|8.969897|5.612518|4.965782|5.653628|4.081244|3.807152|3.209469|3.793235|4.539686|3.875012|4.017240|3.247267|2.749822|2.688906|3.086209|5.327700|0.090063|0.087673|0.080877|0.118732|0.097248|0.135673|0.102658|0.086583|0.094876|0.102051|0.092490|0.111922|0.109266|0.200883|0.140538|0.500000| |3.596787|4.300650|0.157745|3.740145|5.263782|3.546650|4.022043|0.140869|6.895560|3.281217|3.454946|5.569754|3.234164|2.678368|17.715443|3.062733|4.880806|2.996782|5.032617|0.116313|4.117622|5.658611|9.027331|17.746725|8.872570|5.670819|4.982043|6.973886|6.555249|4.504828|6.547638|3.302398|2.992692|3.272905|2.800151|2.356577|2.237119|2.461960|4.717519|0.099067|0.101287|0.083790|0.104751|0.085997|0.095514|0.082776|0.078467|0.092403|0.087526|0.067357|0.075991|0.075543|0.110848|0.096435|0.219358|0.500000| |1.997906|2.227648|0.070308|2.106053|3.067591|2.198461|2.334607|0.074840|3.865244|2.157078|2.190561|3.627366|2.266241|2.041502|14.908684|2.507542|3.524710|2.753609|4.697446|0.093926|4.114173|5.662515|4.973346|5.663995|8.890368|17.779984|9.008169|6.810311|4.905512|7.612233|4.884442|3.575776|2.993266|2.997040|2.518687|2.214983|2.205807|2.509470|4.389988|0.055089|0.056354|0.050261|0.058735|0.052352|0.063225|0.054293|0.053458|0.060853|0.061400|0.051637|0.075219|0.070169|0.098861|0.113459|0.107836|0.124013|0.500000| |1.947349|2.230475|0.069240|2.193812|3.340472|2.403503|2.444396|0.078028|3.901627|2.253223|2.465231|4.023019|2.697202|2.453723|18.849739|3.284253|4.394298|3.873313|7.011757|0.126863|6.984361|8.905851|5.652592|4.977535|5.625685|8.947082|17.690970|4.050992|3.383800|3.924703|3.373481|5.370457|3.890992|3.548955|2.836837|2.537954|2.641634|3.190952|4.878775|0.053370|0.053649|0.049610|0.060868|0.054598|0.071682|0.058929|0.055870|0.061615|0.065919|0.060660|0.109624|0.094813|0.147868|0.219979|0.123867|0.107986|0.219409|0.500000| |2.391519|2.552625|0.082898|2.368701|3.229667|2.189745|2.338818|0.073701|4.145222|2.069587|2.285146|3.936116|2.203600|1.970391|13.499374|2.175254|3.203365|2.187102|3.477600|0.073357|2.981759|3.804337|4.269745|5.650290|6.907455|5.365581|4.134934|8.735099|17.557368|6.906701|5.482715|2.411673|2.152584|2.229447|1.972665|1.747790|1.705093|1.865350|3.578245|0.069010|0.067849|0.058504|0.068941|0.058150|0.059898|0.054462|0.052160|0.058615|0.056161|0.051200|0.058920|0.055602|0.080711|0.077510|0.102536|0.154562|0.141153|0.098232|0.500000| |2.462478|2.548980|0.082260|2.284217|3.042260|2.102410|2.310202|0.072200|4.189760|2.077102|2.099647|3.604299|1.995660|1.782519|12.125530|1.944019|2.878361|1.951736|3.074029|0.065736|2.511556|3.111784|3.535958|4.682297|5.506834|4.228364|3.322589|8.788582|17.559478|7.070973|6.903457|2.177173|2.009285|2.131461|1.927763|1.700680|1.632766|1.753474|3.525489|0.070604|0.072057|0.060044|0.065539|0.056649|0.056767|0.052805|0.052462|0.060104|0.055667|0.046601|0.052052|0.050590|0.067553|0.065206|0.087845|0.139135|0.114569|0.080532|0.301456|0.500000| |3.022510|3.221808|0.109083|2.859787|3.796186|2.551587|2.809796|0.089822|5.108643|2.425254|2.593582|4.427996|2.418879|2.111540|14.089292|2.294341|3.486653|2.258558|3.597523|0.078530|2.980005|3.798697|4.711376|6.797964|6.841458|4.708745|3.813491|8.682878|17.570552|5.507532|6.865937|2.458456|2.247634|2.395115|2.133427|1.860662|1.783875|1.931546|3.819672|0.087510|0.087147|0.071640|0.083126|0.068872|0.068211|0.062809|0.060555|0.069348|0.064404|0.054798|0.059455|0.057734|0.081444|0.074854|0.117642|0.228620|0.116207|0.088633|0.301699|0.302508|0.500000| |1.988958|2.151682|0.067628|1.967564|2.774377|2.014870|2.212412|0.070133|3.770312|2.085647|1.930549|3.216290|1.938092|1.745358|12.460989|2.051568|2.933844|2.193574|3.596444|0.074607|2.902416|3.693085|3.700721|4.575243|6.725654|6.686537|4.583701|8.705685|5.504787|17.552698|6.934829|2.763727|2.510831|2.645512|2.333977|2.042337|1.973718|2.154496|4.154672|0.054631|0.057630|0.049945|0.054497|0.049387|0.056676|0.050437|0.051899|0.060604|0.058323|0.044789|0.058951|0.057590|0.072727|0.078154|0.086115|0.113567|0.230748|0.114885|0.140436|0.142966|0.122170|0.500000| |2.021804|2.129821|0.067006|1.932583|2.654687|1.897984|2.085513|0.065200|3.661020|1.946761|1.843712|3.119353|1.811160|1.635991|11.470495|1.851922|2.674607|1.927208|3.073897|0.064423|2.481789|3.074498|3.230861|4.073046|5.471109|4.803847|3.558143|8.843425|7.042255|17.575206|7.052693|2.286731|2.109230|2.228886|2.011426|1.777742|1.711574|1.842008|3.674401|0.056356|0.059087|0.050515|0.054179|0.048628|0.052444|0.047896|0.049001|0.056738|0.053421|0.042475|0.051824|0.050552|0.064354|0.066278|0.077882|0.108916|0.148406|0.089162|0.171353|0.215709|0.143181|0.302770|0.500000| |1.958860|2.105082|0.066410|1.958835|2.742735|1.939375|2.082043|0.065464|3.588883|1.921144|1.942646|3.289506|1.940963|1.760364|12.504193|2.028923|2.897130|2.134796|3.445523|0.070786|2.903566|3.691427|3.700621|4.571928|6.718834|6.691534|4.584311|8.707809|6.944689|17.557633|5.506169|2.546001|2.262081|2.324522|2.049087|1.821592|1.786352|1.962514|3.715240|0.054880|0.056053|0.049056|0.055358|0.049014|0.054288|0.048611|0.048295|0.054942|0.053347|0.045443|0.058165|0.055130|0.074614|0.078761|0.086217|0.113583|0.232003|0.115074|0.206344|0.174726|0.140495|0.300462|0.302848|0.500000| |3.196637|3.490189|0.117755|2.900103|3.922377|2.829245|3.372978|0.111921|6.020715|3.019550|2.550891|4.177741|2.409478|2.072980|13.990997|2.341645|3.580476|2.361984|3.857322|0.086678|2.975356|3.797049|4.706195|6.805663|6.844007|4.700859|3.808686|8.682725|6.862028|5.507580|17.567887|2.759199|2.634777|2.982053|2.676596|2.244913|2.079871|2.217893|4.601185|0.086095|0.097007|0.075994|0.079052|0.070423|0.075827|0.069114|0.072888|0.090849|0.079866|0.053129|0.060659|0.062026|0.077868|0.074024|0.117151|0.228314|0.115870|0.088419|0.140037|0.170001|0.204282|0.140398|0.143256|0.122189|0.500000| |2.553871|2.674974|0.085779|2.304933|3.105621|2.247774|2.589886|0.082120|4.644600|2.409542|2.077307|3.467650|1.990441|1.759416|12.062419|1.971891|2.929526|2.015950|3.228231|0.070213|2.508106|3.109874|3.533213|4.684431|5.505913|4.220187|3.317850|8.787295|6.906794|7.065706|17.560872|2.373836|2.266524|2.506371|2.293231|1.973780|1.846429|1.955394|4.100769|0.069901|0.077304|0.062529|0.063531|0.057506|0.060874|0.056341|0.059767|0.072325|0.064612|0.045576|0.052830|0.053351|0.065484|0.064642|0.087639|0.139111|0.114168|0.080333|0.140809|0.207226|0.170269|0.174201|0.215881|0.142997|0.302584|0.500000| |2.534749|2.774625|0.089142|2.405145|3.357532|2.492089|2.906798|0.095025|4.978035|2.742015|2.234710|3.647351|2.189622|1.917060|13.344043|2.241232|3.323122|2.347716|3.890245|0.085208|2.970051|3.795420|4.255630|5.646012|6.898304|5.337865|4.118467|8.733161|5.481725|6.913152|17.548788|2.944804|2.815404|3.191401|2.845544|2.378592|2.205150|2.359064|4.844931|0.067822|0.075602|0.062475|0.065054|0.059678|0.068888|0.061555|0.066387|0.082630|0.075234|0.048935|0.060852|0.062367|0.075042|0.075904|0.101835|0.154139|0.140017|0.097628|0.122360|0.140803|0.140015|0.206247|0.171871|0.140455|0.301460|0.301564|0.500000| |2.099923|2.479919|0.075475|2.429458|3.864120|2.981042|3.050899|0.098563|4.573945|2.921247|2.776060|4.320145|3.156787|2.802227|22.102259|4.212546|5.551706|5.644680|12.447442|0.215546|7.494956|7.315969|5.423585|4.418899|4.284437|5.078928|6.867942|3.283905|2.740951|3.023303|3.129968|17.672168|8.890076|7.029466|4.706516|4.016427|4.254500|5.753256|7.101897|0.055781|0.057796|0.054091|0.064683|0.060807|0.093611|0.072109|0.070598|0.078719|0.090387|0.067325|0.142772|0.147731|0.147992|0.198885|0.132156|0.102018|0.122389|0.190822|0.074720|0.067117|0.075387|0.090656|0.072347|0.081637|0.086225|0.074276|0.095241|0.500000| |1.875955|2.193101|0.065048|2.219284|3.559921|2.745667|2.675639|0.082618|4.035572|2.594805|2.654157|4.169195|3.150989|2.936080|24.985548|4.660351|5.516044|7.256180|12.384434|0.181503|6.735492|5.194683|4.025443|3.299193|3.172027|3.670110|4.788025|2.563390|2.244924|2.414002|2.438740|17.619408|8.826331|5.599945|4.180427|3.987603|4.731354|7.185141|7.057697|0.050069|0.051019|0.049129|0.059313|0.056582|0.087831|0.068060|0.064594|0.068455|0.080972|0.070239|0.202911|0.199986|0.143981|0.208853|0.105686|0.079624|0.092788|0.145133|0.062272|0.055909|0.062107|0.071150|0.059227|0.066619|0.067613|0.059742|0.072412|0.301885|0.500000| |2.535089|3.074991|0.092681|2.867996|4.579697|3.868572|4.357134|0.146460|6.104475|4.465138|3.038295|4.576666|3.289300|2.792063|20.487678|3.866264|5.659858|4.454617|8.113971|0.198161|4.590359|4.890263|4.906120|4.349092|3.906417|3.909246|4.310591|3.214607|2.692196|2.822678|3.418099|7.028794|8.871762|17.687498|8.971877|5.687205|4.943852|5.639340|9.647561|0.064861|0.070849|0.065252|0.072936|0.071746|0.121866|0.091748|0.100498|0.122662|0.147133|0.067499|0.103631|0.127550|0.108471|0.110817|0.131994|0.109995|0.094691|0.108053|0.070019|0.067095|0.076546|0.083855|0.069883|0.072578|0.099603|0.080762|0.106826|0.206356|0.141553|0.500000| 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