Version2.1 2021-01-13T16:29:03Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc([nH+]c2c1cc(cc2)NC(=S)NCC[NH+]3CCc4ccccc4C3)N5CCCC5 C20183159 RHF 6-31G(d) (6D,7F) Cc1cc([nH+]c2c1cc(cc2)NC(=S)NCC[NH+]3CCc4ccccc4C3)N5CCCC5 C01[X(C26H33N5S1)] 189 C1 550 S=C(Nc1ccc2c(c1)c(C)cc([nH+]2)N1CCCC1)NCC[NH+]1CCc2c(C1)cccc2 S=C(Nc1ccc2c(c1)c(C)cc([nH+]2)N1CCCC1)NCC[NH+]1CCc2c(C1)cccc2 Cc1cc([nH+]c2ccc(NC(=S)NCC[NH+]3CCc4ccccc4C3)cc12)N5CCCC5 InChIKey=SDCVEQJTOIRVNG-UHFFFAOYSA-P InChI=1S/C26H31N5S/c1-19-16-25(31-12-4-5-13-31)29-24-9-8-22(17-23(19)24)28-26(32)27-11-15-30-14-10-20-6-2-3-7-21(20)18-30/h2-3,6-9,16-17H,4-5,10-15,18H2,1H3,(H2,27,28,32)/p+2 InChI=1/C26H31N5S/c1-19-16-25(31-12-4-5-13-31)29-24-9-8-22(17-23(19)24)28-26(32)27-11-15-30-14-10-20-6-2-3-7-21(20)18-30/h2-3,6-9,16-17H,4-5,10-15,18H2,1H3,(H2,27,28,32)/p+2/fC26H33N5S/h27-30H/q+2 Cc1cc([nH+]c2c1cc(cc2)NC(=S)NCC[NH+]3CCc4ccccc4C3)N5CCCC5 C01[X(C26H33N5S1)] 189 C01 550 S=C(Nc1ccc2c(c1)c(C)cc([nH+]2)N1CCCC1)NCC[NH+]1CCc2c(C1)cccc2 S[C]([NH][C]1[CH][CH][C]2[C]([CH]1)[C](=[CH][C]([N]1CCCC1)N2)C)NCC[NH]1CC[C]2[C]([CH][CH][CH][CH]2)C1 CC1=C[C](N[C]2[CH][CH][C]([CH][C]12)N[C](S)NCC[NH]3CC[C]4[CH][CH][CH][CH][C]4C3)N5CCCC5 InChIKey=KIXPXBVWYZNYMU-UHFFFAOYSA-N InChI=1S/C26H34N5S/c1-19-16-25(31-12-4-5-13-31)29-24-9-8-22(17-23(19)24)28-26(32)27-11-15-30-14-10-20-6-2-3-7-21(20)18-30/h2-3,6-9,16-17,27-30,32H,4-5,10-15,18H2,1H3 InChI=1/C26H34N5S/c1-19-16-25(31-12-4-5-13-31)29-24-9-8-22(17-23(19)24)28-26(32)27-11-15-30-14-10-20-6-2-3-7-21(20)18-30/h2-3,6-9,16-17,27-30,32H,4-5,10-15,18H2,1H3 3075.8669344525 -1673.164729 1-A 33490.0698 119 431 550 |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| -92.05413 -15.89926 -15.83911 -15.80704 -15.80199 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988.5156 997.5926 1015.0711 1025.3108 1044.6759 1057.4118 1066.1511 1076.5746 1086.6740 1098.8859 1101.5424 1107.9592 1119.9701 1121.8986 1135.0812 1145.6705 1147.9638 1149.0925 1168.9946 1181.7141 1192.4475 1200.5477 1214.2408 1238.6859 1240.9161 1249.6157 1251.9915 1267.1476 1296.6796 1304.3315 1304.7829 1309.6144 1322.4261 1328.5547 1332.9052 1354.0790 1365.5298 1381.8765 1387.3700 1392.9709 1396.4122 1404.1579 1410.3130 1415.8773 1431.0180 1444.6669 1460.3835 1472.0247 1478.6610 1489.9850 1496.3704 1504.7871 1514.4209 1521.1669 1533.6723 1535.3247 1538.8544 1545.5062 1563.9323 1571.3976 1596.1906 1597.0024 1608.2193 1619.0156 1623.8790 1626.6392 1629.6804 1632.0659 1637.3617 1637.4877 1640.2400 1644.8286 1651.1613 1662.5764 1663.0825 1671.1535 1675.3922 1677.7382 1708.4481 1721.4087 1735.6678 1785.8961 1807.5137 1809.6717 1821.0193 1843.6981 3204.5441 3218.8311 3222.2547 3244.4465 3245.3667 3248.6324 3251.7484 3253.6220 3270.1136 3273.9263 3283.3771 3285.3359 3289.3646 3306.2429 3311.7283 3312.7209 3319.2987 3322.8497 3324.2564 3356.5164 3359.5993 3360.0611 3369.5040 3379.4060 3391.8512 3406.3713 3412.8131 3415.1185 3445.3657 3673.7743 3819.6710 3844.8048 3860.4862 4.8397 4.5535 4.1429 5.1032 5.9595 6.6933 4.4194 3.7972 3.1624 3.9423 3.7329 3.8650 3.5751 3.3399 3.9743 2.0708 2.2687 1.9429 3.0998 3.0381 2.5742 1.8572 2.5977 3.4750 3.7206 2.6917 1.8452 1.8810 4.0353 5.4960 2.8288 4.6126 5.0219 3.3922 2.6533 3.8151 2.4921 1.5446 2.5073 4.2300 4.1759 3.4698 4.4476 3.5470 2.1292 2.5137 3.2228 4.7046 1.6518 3.6572 4.2978 8.0249 3.6649 4.2769 3.2556 3.7615 4.2505 3.7239 1.8768 2.5873 1.2634 3.2164 2.2801 2.7845 1.5984 1.6181 1.8729 1.6405 4.0038 2.0360 2.6052 1.5768 1.8404 2.6268 1.7528 1.7880 2.2044 1.5678 2.0737 2.3788 1.6165 1.3868 2.5635 2.6799 3.8410 1.3744 2.2738 2.1114 1.5900 1.9869 2.4015 2.1611 2.7513 1.8867 2.0462 1.6623 2.1963 5.6050 1.2290 1.7751 1.8390 1.5633 1.3163 1.3945 1.5905 1.5706 2.1023 1.2522 1.6007 2.1017 1.7545 1.4623 1.3350 1.4723 2.3577 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7.1882 0.6602 3.1318 8.4300 0.8101 1.5794 2.7158 7.0669 0.3333 6.3719 0.5903 1.9779 8.7867 3.3911 7.5294 115.8028 31.5713 6.3868 11.0664 9.9667 9.9508 4.8827 1.0347 5.3396 5.1878 2.5584 37.4202 0.1523 6.6780 44.4016 7.1927 52.4829 0.8127 5.0758 3.9995 13.8004 21.3867 3.0331 49.6753 4.3965 6.6179 0.8696 8.2587 52.8880 15.0662 19.1533 39.1658 21.5828 2.8842 12.1711 2.1695 1.1972 7.0589 2.7573 15.7780 4.4423 8.9488 9.3749 1.9862 3.3707 21.0855 5.8033 33.0733 0.1795 4.2547 10.1285 3.7673 40.5322 29.8275 18.5994 1.1202 2.0534 4.3583 0.9154 7.2484 26.3089 11.5712 5.4343 0.7427 6.5082 8.2567 11.9846 53.8333 6.8288 1.2290 46.0885 46.3003 280.8388 185.9155 79.0862 25.8041 36.7935 31.9595 18.3090 72.2704 1.8022 25.1326 196.6023 85.7556 0.2652 23.4578 7.3916 99.3480 6.0975 85.0827 16.8851 7.1993 76.2699 32.8163 216.3049 55.1479 172.5070 12.4913 11.6384 4.2773 6.5349 0.5997 7.4512 6.0693 18.4217 26.4574 2.4714 30.5796 20.2067 53.7260 58.8266 640.3331 145.7562 77.6657 0.6541 64.2778 2.5226 582.0439 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 4393.2006 58669.5985 58858.3054 0.99999 -0.00291 -0.00181 0.00216 0.94511 -0.32675 0.00266 0.32674 0.94511 1 0.01972 0.00148 0.00147 0.41080 0.03076 0.03066 15.57 20.31 24.93 43.96 59.82 68.91 92.33 115.30 118.65 157.34 184.36 192.57 216.42 233.31 240.02 268.73 272.26 308.15 343.10 370.62 388.72 398.13 410.43 427.62 438.32 445.98 469.24 486.68 510.53 562.69 584.97 594.67 647.60 683.05 691.99 703.85 750.51 760.29 770.59 794.14 801.60 817.84 832.18 862.72 901.49 907.64 910.49 932.04 970.81 1010.54 1019.77 1039.60 1090.77 1107.72 1117.97 1136.12 1150.09 1174.17 1204.17 1209.56 1227.54 1274.91 1294.97 1312.54 1348.72 1352.35 1364.56 1376.22 1392.89 1413.51 1422.25 1435.31 1460.46 1475.19 1503.06 1521.38 1533.95 1548.95 1563.48 1581.05 1584.87 1594.11 1611.39 1614.16 1633.13 1648.36 1651.66 1653.29 1681.92 1700.22 1715.67 1727.32 1747.02 1782.19 1785.40 1797.92 1801.34 1823.14 1865.63 1876.64 1877.29 1884.24 1902.68 1911.49 1917.75 1948.22 1964.69 1988.21 1996.12 2004.17 2009.13 2020.27 2029.13 2037.13 2058.92 2078.55 2101.17 2117.92 2127.46 2143.76 2152.94 2165.05 2178.91 2188.62 2206.61 2208.99 2214.07 2223.64 2250.15 2260.89 2296.56 2297.73 2313.87 2329.40 2336.40 2340.37 2344.75 2348.18 2355.80 2355.98 2359.94 2366.54 2375.65 2392.08 2392.80 2404.42 2410.52 2413.89 2458.08 2476.72 2497.24 2569.51 2600.61 2603.71 2620.04 2652.67 4610.62 4631.18 4636.11 4668.03 4669.36 4674.06 4678.54 4681.24 4704.96 4710.45 4724.05 4726.87 4732.66 4756.95 4764.84 4766.27 4775.73 4780.84 4782.86 4829.28 4833.71 4834.38 4847.96 4862.21 4880.12 4901.01 4910.28 4913.59 4957.11 5285.74 5495.65 5531.82 5554.38 0.606377 0.633663 0.634607 0.544557 -1672.558352 -1672.531066 -1672.530122 -1672.620172 3.020292D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE Cc1cc([nH+]c2c1cc(cc2)NC(=S)NCC[NH+]3CCc4ccccc4C3)N5CCCC5 C20183159 RHF 6-31G(d) (6D,10F) C1 447.245668 |X|Y|Z| 38.081296 36.664583 175.201489 62.541087 30 6 7 25 5 |36.858105| |12.658880|36.858105| |7.696220|14.101805|36.858105| |4.999249|7.839513|13.287135|36.858105| |4.473780|6.918818|8.042809|14.215310|53.358707| |3.625370|5.080277|5.810330|9.432248|26.016686|0.500000| |4.986113|7.810864|6.858219|7.909075|18.716196|0.259346|36.858105| |7.431288|13.123436|7.859386|6.756248|10.825275|0.161383|13.692026|36.858105| |6.370369|7.563105|5.109086|4.509447|7.066857|0.119212|7.933910|13.546659|36.858105| |4.371075|5.065236|3.940793|3.791122|6.250064|0.112939|6.894083|7.902019|13.927236|36.858105| |3.665142|4.495542|3.801606|3.974141|7.105203|0.135404|7.982343|6.834761|7.942826|13.601143|36.858105| |3.816442|5.098510|4.564212|5.205306|10.784874|0.207739|13.640041|7.843335|6.851188|7.923055|13.917973|36.858105| |3.645468|3.857082|3.112395|2.965003|4.651228|0.086888|4.547177|5.126400|7.870368|13.351148|7.784275|5.144591|53.358707| |3.126730|3.240725|2.699842|2.592929|4.006693|0.076268|3.729571|4.064116|5.568083|7.732626|5.891780|4.217803|19.259435|36.858105| |2.985344|3.151920|2.688323|2.621647|4.059802|0.078014|3.697740|3.887918|4.873010|6.146384|5.410596|4.176942|9.731085|11.353584|388.023441| |2.696957|2.717439|2.311492|2.215542|3.350937|0.064493|2.995418|3.242289|4.200954|5.250415|4.322856|3.318017|11.450470|14.099644|50.887018|53.358707| |2.297053|2.305051|2.009747|1.942447|2.907025|0.056669|2.518360|2.668640|3.265876|3.876475|3.431953|2.772475|7.133343|7.712444|44.007968|17.931700|36.858105| |2.278038|2.227366|1.943350|1.851015|2.716390|0.052597|2.318605|2.504217|3.023672|3.373099|2.941079|2.467171|5.832029|5.827139|38.337269|10.554030|12.430667|36.858105| |1.964558|1.932532|1.721270|1.656249|2.417801|0.047315|2.020541|2.139847|2.490581|2.741423|2.492622|2.149618|4.467288|4.197497|30.519069|6.865490|7.592691|12.691354|53.358707| |1.836673|1.819757|1.631122|1.580942|2.315270|0.045590|1.927651|2.019572|2.335547|2.597365|2.400114|2.069451|4.236828|3.908485|27.523746|6.557254|7.489367|9.258106|25.671931|0.500000| |1.935370|1.930228|1.734690|1.684766|2.468180|0.048566|2.050241|2.140572|2.448371|2.696415|2.512032|2.191658|4.229449|3.973441|32.603624|5.890306|5.908853|7.598939|17.191252|0.258028|36.858105| |1.679336|1.680374|1.533991|1.501821|2.189266|0.043469|1.787588|1.841922|2.059645|2.247918|2.144004|1.908663|3.439841|3.076149|24.559409|4.528540|4.313266|4.989775|10.489573|0.207639|12.541929|36.858105| |1.571658|1.552174|1.420723|1.381294|1.991652|0.039444|1.613814|1.676608|1.865996|2.000018|1.890350|1.699581|3.050878|2.653263|20.296050|3.958261|3.654848|4.408569|9.130018|0.182664|7.551255|12.571306|36.858105| |1.416793|1.402090|1.296264|1.265713|1.816938|0.036154|1.456026|1.502357|1.648600|1.754201|1.677422|1.528480|2.630625|2.233712|17.040944|3.278454|2.910294|3.337122|6.144580|0.127020|5.004425|7.566653|13.686354|36.858105| |1.333958|1.310751|1.215082|1.182105|1.685476|0.033499|1.343676|1.391826|1.520960|1.602024|1.526337|1.399504|2.393189|1.997977|14.939953|2.938125|2.548606|2.925057|5.121992|0.105707|3.870794|5.021845|7.904416|13.805789|36.858105| |1.369304|1.332843|1.229893|1.188067|1.687665|0.033388|1.348861|1.409740|1.548942|1.621675|1.527402|1.396784|2.439633|2.029136|14.879717|3.019517|2.608069|3.073581|5.318235|0.108345|3.739179|4.427621|6.834118|7.943064|13.711532|36.858105| |1.505797|1.458021|1.333156|1.280681|1.822841|0.035888|1.469652|1.548773|1.722775|1.807540|1.680839|1.521926|2.759826|2.324705|16.873613|3.520572|3.099561|3.842400|6.912533|0.137044|4.502954|5.003390|7.903614|6.896616|7.958981|13.814716|36.858105| |1.629653|1.588551|1.443975|1.390300|1.994501|0.039250|1.622156|1.707445|1.917505|2.037729|1.891604|1.694049|3.147457|2.726252|20.135315|4.162609|3.835901|4.971569|10.411087|0.197600|6.695339|7.532577|13.723578|7.954902|6.875799|7.923207|13.682562|36.858105| |1.846062|1.785953|1.600265|1.527770|2.197729|0.042918|1.811912|1.933678|2.217824|2.365151|2.144832|1.890592|3.752846|3.329389|23.946340|5.259293|5.009694|7.653021|17.273612|0.260212|7.761163|6.422221|7.519087|5.014922|4.449387|5.053112|7.647405|12.600626|36.858105| |3.895782|5.237735|7.889150|14.501366|11.293486|0.212627|5.302694|4.609691|3.440806|3.027496|3.209455|4.055909|3.365512|2.212556|16.028863|2.625558|1.721637|1.648122|2.035652|0.039825|1.526680|1.377960|1.273273|1.176278|1.102406|1.105173|1.183220|1.277086|1.389201|53.358707| |3.048114|3.892307|5.019659|7.727022|9.227161|0.217989|4.545788|3.748234|2.960551|2.740921|3.018862|3.838848|3.095820|2.064264|15.099128|2.465896|1.635278|1.554018|1.939377|0.038174|1.463904|1.333503|1.228095|1.140369|1.066897|1.063556|1.132517|1.222599|1.319169|17.578595|36.858105| |2.649654|3.185173|4.026786|5.249574|6.090458|0.133988|3.378523|2.976099|2.446554|2.268475|2.438096|2.942838|2.639253|1.786958|13.102151|2.168343|1.456299|1.398440|1.761949|0.034704|1.330739|1.222873|1.134523|1.060537|0.997152|0.993933|1.053056|1.129430|1.210127|10.988523|12.462450|36.858105| |2.839770|3.339593|4.360924|5.257605|5.629852|0.115571|3.213591|2.968873|2.435912|2.208921|2.309669|2.731197|2.585395|1.737985|12.555189|2.122348|1.419700|1.371756|1.721211|0.033851|1.288900|1.182116|1.104473|1.031717|0.974690|0.976820|1.036922|1.107218|1.190153|11.001498|7.938507|12.464603|36.858105| |3.658058|4.457040|6.515270|7.717269|7.034313|0.133422|3.907311|3.708752|2.918706|2.556322|2.624830|3.131765|2.937257|1.953569|14.090172|2.358909|1.561385|1.513527|1.880619|0.036772|1.405209|1.275960|1.190374|1.104987|1.042234|1.047919|1.118783|1.198448|1.298608|17.516463|7.784439|7.932958|12.473558|36.858105| |17.566315|8.896661|5.978940|4.297021|5.462038|0.092415|4.584904|6.670052|6.434070|4.465097|3.642931|3.669240|5.203863|3.374681|23.402828|3.929192|2.466799|2.493397|2.907669|0.054828|2.111366|1.811712|1.693634|1.517472|1.425239|1.465665|1.620447|1.761850|2.011140|4.679416|2.783062|2.443549|2.563895|3.219699|0.500000| |17.564966|8.894063|5.975688|4.291685|5.451518|0.092341|4.574032|6.660287|6.424455|4.458103|3.636527|3.661159|5.218802|3.204549|20.797926|3.827076|2.360511|2.326290|2.702750|0.051806|1.924234|1.668668|1.569155|1.411656|1.333227|1.375581|1.518343|1.638800|1.868050|4.674621|2.770069|2.417889|2.593855|3.233834|0.301383|0.500000| |17.629891|8.882017|7.398616|4.753153|5.460924|0.092390|4.156440|5.498408|4.698425|3.514488|3.076761|3.253942|4.111998|2.661793|18.342872|3.194641|2.042629|2.042907|2.437549|0.046640|1.769632|1.553983|1.465364|1.331405|1.260533|1.294144|1.414540|1.518278|1.702544|5.322997|3.016760|2.701578|2.984633|3.908889|0.301552|0.301688|0.500000| |7.128961|9.053312|17.815561|8.838877|7.795006|0.127359|4.952539|5.597689|4.127481|3.282222|3.141790|3.633970|3.686532|2.395354|16.990593|2.847447|1.843002|1.803580|2.192354|0.042395|1.620790|1.443263|1.347719|1.235742|1.164643|1.181253|1.276520|1.373105|1.514383|9.756387|4.613001|4.011483|4.652827|7.393177|0.154736|0.154426|0.228600|0.500000| |7.197516|6.897855|4.646924|3.903142|5.707278|0.098241|5.639703|8.843944|17.764091|9.027481|5.657535|4.944466|9.886797|5.420775|32.727897|5.835162|3.323954|3.179215|3.508516|0.066499|2.489042|2.079907|1.907814|1.678579|1.557630|1.601244|1.794140|1.988718|2.329119|4.191839|2.637499|2.242107|2.270998|2.718513|0.217115|0.216659|0.142344|0.109834|0.500000| |3.050419|3.587169|3.145108|3.318060|5.736143|0.114846|5.663889|4.934894|5.662056|8.888011|17.752470|8.986913|9.755346|5.997868|39.106675|6.172029|3.660979|3.018811|3.516852|0.070108|2.613042|2.242956|1.955614|1.734333|1.568510|1.560567|1.713865|1.939560|2.187580|3.804611|2.708697|2.228745|2.095602|2.326862|0.084921|0.084774|0.072967|0.074366|0.124693|0.500000| |3.208799|4.151146|3.977364|4.787630|9.824704|0.224928|8.857829|5.601866|4.941154|5.634438|8.967619|17.723593|5.674368|3.607520|26.045098|4.006777|2.536117|2.253981|2.727447|0.054043|2.060805|1.823476|1.621693|1.470441|1.345907|1.335358|1.443941|1.602760|1.766062|5.417944|4.033682|3.056883|2.749895|3.050134|0.085690|0.085508|0.078597|0.090707|0.107388|0.216230|0.500000| |3.474919|3.591717|2.928494|2.775316|4.280934|0.080385|4.057807|4.576844|6.632905|9.206304|6.274483|4.482848|25.974637|9.416077|37.984638|10.789649|4.958542|4.042670|4.233354|0.083296|2.862035|2.369770|2.138822|1.854093|1.702839|1.748278|1.978437|2.230084|2.657880|3.184679|2.153102|1.849314|1.828826|2.065808|0.098932|0.105177|0.080861|0.071664|0.181272|0.165863|0.103805|0.500000| |2.655368|2.656400|2.262091|2.162018|3.253624|0.062622|2.892742|3.142830|4.055065|4.976144|4.097427|3.180528|10.783269|9.406475|38.025579|26.011260|9.116573|6.178092|5.874522|0.118262|3.641891|2.932857|2.640161|2.224206|2.025543|2.098653|2.434320|2.807523|3.494246|2.568115|1.769517|1.558458|1.535189|1.702518|0.077644|0.078489|0.064358|0.057060|0.116242|0.118818|0.078590|0.250435|0.500000| |2.206722|2.255926|1.988452|1.949355|2.944761|0.057956|2.541685|2.630301|3.154338|3.804764|3.526393|2.852559|6.652813|7.208437|49.017865|12.537529|17.650563|8.774269|9.652942|0.199677|6.556786|4.771449|3.774103|3.016092|2.578260|2.567277|2.983918|3.738955|4.584591|2.360557|1.663512|1.478655|1.428079|1.563303|0.065638|0.062143|0.054704|0.050488|0.086724|0.107438|0.073489|0.123589|0.186420|0.500000| |2.100227|2.103328|1.852373|1.796883|2.677314|0.052507|2.290574|2.408145|2.894802|3.392971|3.068244|2.518486|6.085471|5.806584|33.105262|12.659533|17.580909|8.833893|9.105996|0.209965|5.005444|4.006865|3.528950|2.857575|2.536795|2.613266|3.094068|3.743669|4.747737|2.185557|1.532562|1.371617|1.340381|1.463907|0.061830|0.060470|0.052343|0.047456|0.081817|0.091686|0.064792|0.124588|0.237536|0.302216|0.500000| |2.257290|2.168613|1.889147|1.783183|2.590920|0.049990|2.199248|2.403059|2.899342|3.157646|2.720789|2.306790|5.446935|5.039217|31.127499|9.262582|8.817849|17.626947|12.355417|0.209511|5.626635|4.173818|3.995027|3.110811|2.828661|3.071032|3.906847|4.781876|7.573323|2.165323|1.492710|1.349149|1.333907|1.472409|0.068415|0.064887|0.056460|0.049029|0.086502|0.076634|0.058442|0.109410|0.169532|0.173355|0.218559|0.500000| |2.500516|2.431779|2.102459|1.986645|2.908861|0.055888|2.497410|2.733709|3.327314|3.649856|3.121415|2.626571|6.184087|6.289390|45.495357|9.774957|8.802793|17.669041|12.398546|0.182580|7.421992|4.709660|4.109338|3.165863|2.777691|2.896234|3.558513|4.522881|6.586537|2.391900|1.645334|1.477376|1.449078|1.611245|0.077513|0.070112|0.061897|0.054086|0.098171|0.087120|0.065952|0.114389|0.154549|0.204432|0.173678|0.300772|0.500000| |2.024236|2.000501|1.794156|1.728644|2.512635|0.049148|2.081627|2.196222|2.503112|2.696858|2.483318|2.190614|4.153990|3.843958|32.580186|5.468132|5.038006|6.827689|12.457133|0.182495|17.623022|8.780452|6.631979|4.653141|3.729645|3.663432|4.415273|6.278525|7.400823|2.129624|1.491096|1.359005|1.319511|1.445632|0.062103|0.055476|0.051506|0.046729|0.071393|0.070384|0.056875|0.077438|0.094355|0.147696|0.117332|0.147811|0.215452|0.500000| |2.024369|2.050731|1.839029|1.800949|2.672084|0.052739|2.240595|2.314403|2.661117|3.005915|2.835863|2.438413|4.734074|4.606692|40.290195|6.629886|6.701839|7.277017|12.266811|0.214299|17.663428|8.771286|5.503043|4.087764|3.249795|3.112622|3.611581|4.905124|5.639899|2.210648|1.563118|1.409706|1.356798|1.480259|0.061157|0.055744|0.051047|0.047314|0.073868|0.083222|0.063742|0.087161|0.110076|0.237884|0.149372|0.144661|0.202670|0.302093|0.500000| |1.646148|1.655839|1.522320|1.497209|2.179914|0.043425|1.766932|1.808152|1.996429|2.165074|2.088854|1.882721|3.240517|2.859091|23.620267|4.059508|3.681351|4.132296|7.644172|0.147690|8.996944|17.577743|8.862819|6.975709|4.680887|3.973568|4.239454|5.738213|4.952579|1.877757|1.340295|1.232591|1.186466|1.277801|0.049362|0.045064|0.042481|0.039841|0.055643|0.060524|0.050262|0.061525|0.073184|0.114494|0.093988|0.097429|0.114073|0.218013|0.208292|0.500000| |1.615500|1.629097|1.491871|1.470885|2.156157|0.043049|1.760075|1.796450|2.005671|2.216399|2.141721|1.899963|3.403932|3.030458|23.680533|4.517713|4.359909|4.632258|9.150542|0.209736|8.883258|17.513660|8.868417|6.567386|4.562343|3.991499|4.370932|6.045414|5.342215|1.840393|1.315998|1.204861|1.161685|1.248363|0.047987|0.044764|0.041503|0.038897|0.055784|0.063128|0.050777|0.065595|0.082071|0.138185|0.116793|0.108622|0.116880|0.173514|0.218407|0.304737|0.500000| |1.370861|1.366806|1.270502|1.248444|1.796056|0.035903|1.433316|1.466623|1.597935|1.705159|1.649408|1.510571|2.532717|2.141992|16.562704|3.099951|2.721797|3.017039|5.358441|0.111673|4.577143|7.046511|8.914228|17.710536|8.946947|5.649488|4.963720|5.654430|4.081959|1.584614|1.134763|1.056454|1.023310|1.091983|0.040659|0.037801|0.035834|0.033620|0.044840|0.047573|0.040627|0.049395|0.058348|0.080028|0.073995|0.077182|0.080398|0.117727|0.109147|0.205195|0.182193|0.500000| |1.245000|1.225987|1.143191|1.115475|1.587001|0.031633|1.257422|1.296845|1.406234|1.476698|1.416322|1.307892|2.186111|1.805554|13.504310|2.630835|2.243873|2.516986|4.247027|0.088059|3.239744|4.099741|5.634853|8.945122|17.735651|8.901222|5.656737|4.954892|3.557066|1.422704|1.014897|0.952257|0.930256|0.990765|0.036807|0.034516|0.032818|0.030515|0.039877|0.040424|0.035100|0.043281|0.050684|0.063342|0.062221|0.067801|0.066932|0.087303|0.078081|0.110811|0.107034|0.216082|0.500000| |1.297335|1.258692|1.165441|1.124511|1.590399|0.031470|1.265131|1.323014|1.446291|1.504518|1.418024|1.304103|2.250294|1.847184|13.427463|2.737140|2.317528|2.690052|4.449682|0.090822|3.104876|3.543247|4.933445|5.648534|8.892918|17.738812|8.943562|5.640492|4.122861|1.428530|1.009876|0.947352|0.933613|0.999554|0.038452|0.036259|0.034218|0.031214|0.041605|0.040118|0.034676|0.045041|0.053399|0.062982|0.064884|0.075853|0.070852|0.085372|0.073801|0.090472|0.090853|0.124214|0.214277|0.500000| |1.524393|1.463231|1.334413|1.274487|1.806470|0.035448|1.456891|1.546275|1.724225|1.795489|1.655493|1.499602|2.749004|2.291181|16.295592|3.491498|3.014508|3.764797|6.334864|0.124426|3.940525|4.078714|5.628890|4.962813|5.655236|8.951419|17.699011|8.887432|7.129217|1.601192|1.121223|1.043499|1.032492|1.116113|0.045569|0.042923|0.039834|0.035587|0.050303|0.046620|0.039370|0.055212|0.067944|0.078679|0.084207|0.111387|0.096822|0.109175|0.090290|0.097762|0.101371|0.107682|0.124319|0.216071|0.500000| |1.818814|1.748570|1.564451|1.488883|2.136508|0.041676|1.761251|1.887445|2.171701|2.309418|2.082099|1.833178|3.699266|3.215958|22.024141|5.231622|4.875179|7.083322|12.389417|0.227559|5.643009|4.912144|5.697058|4.238000|3.993486|4.729307|7.107567|8.849778|17.622650|1.843197|1.283520|1.178286|1.164163|1.269463|0.054695|0.051661|0.046640|0.041205|0.063797|0.058923|0.047504|0.074342|0.100035|0.118261|0.136090|0.230560|0.160378|0.147644|0.126589|0.109475|0.123100|0.097562|0.090858|0.112059|0.211776|0.500000| |1.964575|1.880470|1.677606|1.588114|2.270867|0.044085|1.872591|2.020400|2.319294|2.431854|2.178804|1.930815|3.818878|3.368361|24.687990|5.142555|4.609257|7.212682|12.467245|0.182739|7.010396|5.484988|6.098190|4.388007|3.981905|4.510089|6.428864|8.780405|17.588267|1.960407|1.358930|1.247799|1.230683|1.350117|0.060167|0.054958|0.050340|0.044211|0.068435|0.060863|0.049781|0.074435|0.094226|0.117003|0.116283|0.200707|0.200049|0.221369|0.146448|0.127465|0.124167|0.101983|0.090662|0.105648|0.176322|0.301739|0.500000| |2.885134|3.657424|4.519265|6.656541|8.820085|0.221354|4.485820|3.632846|2.912860|2.743123|3.068280|3.919286|3.106247|2.052811|14.774884|2.464641|1.628848|1.534004|1.911577|0.037820|1.435063|1.309598|1.206333|1.120322|1.048685|1.045858|1.113720|1.201649|1.297001|12.307275|17.547453|8.753092|6.603401|6.171347|0.072678|0.074684|0.078490|0.113983|0.071710|0.077131|0.117185|0.060599|0.049486|0.045987|0.042654|0.041012|0.044791|0.040342|0.042624|0.036426|0.036081|0.030963|0.027716|0.027599|0.030647|0.035186|0.036930|0.500000| |2.955960|3.782173|4.650065|6.965925|9.547634|0.244524|4.767930|3.796859|3.026411|2.853519|3.211979|4.154142|3.206642|2.160663|16.125148|2.559334|1.703988|1.615454|2.021863|0.039756|1.539944|1.401898|1.282403|1.189942|1.108134|1.100140|1.170756|1.269630|1.367704|12.262655|17.581126|8.735269|5.733840|5.866356|0.076757|0.074214|0.079894|0.115647|0.074064|0.080439|0.124725|0.061158|0.050571|0.048560|0.044136|0.042775|0.047658|0.043581|0.045937|0.039310|0.038436|0.032991|0.029270|0.028935|0.032069|0.036774|0.039123|0.299283|0.500000| |2.333275|2.755286|3.346342|4.219174|5.208130|0.117420|2.996717|2.633653|2.215589|2.090496|2.263935|2.701650|2.461094|1.673337|12.228255|2.046150|1.381326|1.322036|1.673783|0.033111|1.263690|1.168204|1.084843|1.017639|0.957753|0.953031|1.006640|1.077672|1.149863|7.893462|8.760322|17.618917|8.687360|5.664558|0.060139|0.060129|0.065708|0.092018|0.056532|0.058357|0.079294|0.048156|0.040964|0.039038|0.036326|0.035445|0.038575|0.035696|0.037175|0.032714|0.032092|0.028216|0.025463|0.025262|0.027684|0.031140|0.032802|0.220189|0.194285|0.500000| |2.573879|3.051054|3.798414|4.758977|5.590989|0.121122|3.190688|2.847235|2.364659|2.194995|2.346432|2.799855|2.568328|1.759532|13.091445|2.133644|1.442613|1.394023|1.764805|0.034667|1.341482|1.234778|1.144967|1.072122|1.007333|1.002037|1.059713|1.136843|1.214404|9.167703|8.849438|17.574800|8.813575|6.820539|0.067104|0.064546|0.073134|0.106121|0.060539|0.059790|0.080448|0.049666|0.042342|0.040811|0.037622|0.037255|0.041069|0.038213|0.039434|0.034730|0.033693|0.029716|0.026746|0.026520|0.029117|0.032720|0.034874|0.174622|0.223493|0.301931|0.500000| |2.714787|3.166825|4.027335|4.781097|5.312404|0.109952|3.086424|2.851088|2.363251|2.156857|2.258769|2.656641|2.537070|1.694964|12.084744|2.082085|1.389698|1.336620|1.675093|0.033063|1.247411|1.145846|1.072614|1.002402|0.948544|0.951905|1.010502|1.077145|1.158262|9.195780|6.821638|8.815051|17.570716|8.846541|0.067473|0.070401|0.078841|0.117706|0.061262|0.057193|0.074568|0.050315|0.042114|0.038730|0.036635|0.036225|0.039005|0.035322|0.036456|0.031839|0.031378|0.027596|0.025156|0.025303|0.027992|0.031594|0.033160|0.184352|0.137867|0.216692|0.173805|0.500000| |2.605318|2.956330|3.740480|4.217789|4.651619|0.094761|2.770715|2.618274|2.195927|1.996559|2.066076|2.392547|2.370633|1.609016|11.665096|1.979045|1.333479|1.297350|1.636535|0.032169|1.226536|1.129698|1.060001|0.993643|0.941456|0.943719|0.999100|1.062901|1.138201|7.890127|5.668201|8.695550|17.617254|8.765755|0.066166|0.066192|0.077160|0.113986|0.057654|0.052488|0.066673|0.046656|0.039741|0.037229|0.035028|0.035115|0.038062|0.034963|0.035702|0.031552|0.030783|0.027384|0.025010|0.025109|0.027651|0.030923|0.032738|0.135073|0.126942|0.196289|0.216790|0.301976|0.500000| |3.710391|4.372715|6.236177|6.636451|6.301235|0.118117|3.658136|3.572890|2.850266|2.482318|2.515674|2.951254|2.873858|1.934625|14.141595|2.335244|1.554751|1.521636|1.896538|0.036921|1.423527|1.292177|1.207065|1.121209|1.057942|1.063578|1.134861|1.215023|1.314893|12.305407|6.200495|6.619873|8.751519|17.580557|0.092833|0.088856|0.112545|0.208857|0.074711|0.062064|0.079172|0.055775|0.046537|0.043262|0.040333|0.041076|0.045260|0.040938|0.041531|0.036066|0.034952|0.030775|0.027940|0.028182|0.031438|0.035588|0.038158|0.135186|0.146082|0.135250|0.184969|0.174411|0.219617|0.500000| |3.952606|4.680386|6.829678|6.991556|6.497369|0.119826|3.791405|3.749493|2.968285|2.562221|2.581274|3.024852|2.960538|1.950542|13.827866|2.369085|1.559749|1.513645|1.871771|0.036614|1.386806|1.257117|1.178026|1.092112|1.033215|1.043237|1.116263|1.192530|1.296765|12.258333|5.857535|5.726229|8.728230|17.633031|0.093560|0.098470|0.120619|0.234892|0.077902|0.063374|0.080466|0.058466|0.047848|0.043056|0.040753|0.041178|0.044655|0.039600|0.040438|0.034808|0.034163|0.029881|0.027258|0.027688|0.031053|0.035384|0.037463|0.145027|0.128418|0.126723|0.137888|0.222601|0.194413|0.300076|0.500000| 1671.669558 -10023.306314 3807.423807 -204.819028 -4749.031977 3075.867156 -1673.164822 2.000894 40B323FFFFFFFFC5 448CD11D88B79A88 440EBCEC4D90A4D5 42C94EB972C5E478 4090900000000000 44C3ADDEEB8777EE