Version2.1 2021-01-17T14:24:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 08-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(cc1OC)CCNC(=O)CSc2nnc(n2CC=C)Cc3csc(n3)N C06147817 RHF 6-31G(d) (6D,7F) COc1ccc(cc1OC)CCNC(=O)CSc2nnc(n2CC=C)Cc3csc(n3)N C01[X(C21H26N6O3S2)] 168 C1 540 C=CCn1c(SCC(=O)NCCc2ccc(c(c2)OC)OC)nnc1Cc1csc(n1)N C=CCn1c(SCC(=O)NCCc2ccc(c(c2)OC)OC)nnc1Cc1csc(n1)N COc1ccc(CCNC(=O)CSc2nnc(Cc3csc(N)n3)n2CC=C)cc1OC InChIKey=METMHXKLVPDDLD-UHFFFAOYSA-N InChI=1S/C21H26N6O3S2/c1-4-9-27-18(11-15-12-31-20(22)24-15)25-26-21(27)32-13-19(28)23-8-7-14-5-6-16(29-2)17(10-14)30-3/h4-6,10,12H,1,7-9,11,13H2,2-3H3,(H2,22,24)(H,23,28) InChI=1/C21H26N6O3S2/c1-4-9-27-18(11-15-12-31-20(22)24-15)25-26-21(27)32-13-19(28)23-8-7-14-5-6-16(29-2)17(10-14)30-3/h4-6,10,12H,1,7-9,11,13H2,2-3H3,(H2,22,24)(H,23,28)/f/h23H,22H2 COc1ccc(cc1OC)CCNC(=O)CSc2nnc(n2CC=C)Cc3csc(n3)N C01[X(C21H26N6O3S2)] 168 C01 540 C=CCn1c(SCC(=O)NCCc2ccc(c(c2)OC)OC)nnc1Cc1csc(n1)N C=CCN1[C]([N][N]=C1C[C]1=CSC(=[N]1)N)SCC(=O)NCC[C]1[CH][CH][C]([C]([CH]1)OC)OC CO[C]1[CH][CH][C]([CH][C]1OC)CCNC(=O)CS[C]2[N]N=C(Cc3csc(N)n3)N2CC=C InChIKey=METMHXKLVPDDLD-UHFFFAOYSA-N InChI=1S/C21H26N6O3S2/c1-4-9-27-18(11-15-12-31-20(22)24-15)25-26-21(27)32-13-19(28)23-8-7-14-5-6-16(29-2)17(10-14)30-3/h4-6,10,12H,1,7-9,11,13H2,2-3H3,(H2,22,24)(H,23,28) InChI=1/C21H26N6O3S2/c1-4-9-27-18(11-15-12-31-20(22)24-15)25-26-21(27)32-13-19(28)23-8-7-14-5-6-16(29-2)17(10-14)30-3/h4-6,10,12H,1,7-9,11,13H2,2-3H3,(H2,22,24)(H,23,28)/f/h23H,22H2 3240.3764359980 -2156.6112574 1-A 37249.9274 125 415 540 |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|A|A| -91.98293 -91.95714 -20.57829 -20.57774 -20.53024 -15.62610 -15.59679 -15.58775 -15.56068 -15.55975 -15.55847 -11.35698 -11.35608 -11.31526 -11.29505 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72.5734 80.4355 85.3555 93.6571 108.0275 125.8308 162.1252 172.0514 187.6967 195.2666 203.7033 222.3348 240.9849 251.7239 271.8194 283.8218 288.2856 304.9992 316.2575 319.8578 334.7384 337.2842 370.5819 386.1784 399.1103 406.1577 422.6970 432.8932 440.9632 443.1470 461.8300 517.6691 520.0071 529.0859 545.0404 568.7828 616.3259 619.3679 648.5000 651.8970 657.7753 662.7333 701.4715 701.7015 737.5017 746.5112 755.2838 764.4686 779.7681 795.4592 814.7591 817.2602 835.0946 845.4020 855.1518 886.6471 898.7762 917.0245 924.1314 989.3433 1000.2400 1005.7176 1023.1306 1025.2431 1035.4861 1043.9226 1048.5595 1069.1729 1095.3603 1112.5971 1118.9969 1147.2611 1150.8217 1158.8326 1171.6824 1199.1153 1215.1443 1227.5590 1235.8652 1260.9225 1268.6682 1286.9883 1293.6793 1294.6975 1299.8717 1307.7697 1316.3189 1325.1848 1335.5436 1341.1870 1348.9818 1365.9075 1390.0819 1399.2978 1434.8812 1436.9365 1441.0480 1452.0313 1462.6399 1478.8742 1481.5822 1492.2449 1495.7076 1502.9430 1541.3776 1556.1797 1565.2422 1584.8313 1600.9796 1603.2600 1611.8994 1630.1085 1631.7304 1638.1632 1644.0038 1646.2974 1651.2115 1651.6419 1660.3854 1661.1418 1688.6303 1706.1052 1711.7245 1720.4649 1769.2384 1770.5028 1791.7732 1817.5438 1821.5588 1879.8503 1948.8788 3201.3090 3206.5470 3214.9088 3223.8557 3245.6325 3258.8255 3260.6891 3262.8480 3266.9692 3268.1614 3280.1116 3306.7392 3316.4673 3319.3352 3324.8319 3326.5304 3334.1062 3356.8643 3367.3064 3391.9552 3402.7353 3417.0965 3451.4331 3800.8125 3880.8365 3914.6614 6.0539 6.2728 5.2746 5.4618 5.2431 6.0750 6.7464 5.1776 6.6140 4.3136 4.7472 4.2579 3.2073 3.4267 3.2408 4.1164 4.1947 5.0009 3.8010 4.2582 4.7481 3.5508 3.5363 2.6644 1.8600 3.8881 2.5031 1.5331 2.1408 2.7872 3.6818 3.2801 1.1836 5.7660 3.3941 2.8698 3.6693 4.2808 1.2317 3.6263 3.4013 4.9666 3.7245 3.2254 7.5007 6.4864 1.8803 6.8953 4.7092 1.8108 3.2517 2.5936 3.4536 4.3407 3.9396 4.4153 2.9565 5.4601 5.8075 10.0086 4.6480 3.6790 1.4235 1.6381 3.5182 3.2086 5.1273 5.4146 3.7794 1.4429 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33.8339 13.7620 57.1650 4.2237 18.2512 13.7087 0.6247 37.3949 54.9739 10.6636 18.6649 3.3197 9.3476 17.1275 15.7511 4.4611 66.9795 39.4500 48.3357 0.9764 0.4554 0.4862 1.3535 2.5834 1.4463 1.3059 1.8669 0.2500 0.6220 0.2318 0.3398 1.5361 2.1396 4.6294 1.3735 3.2969 1.2384 1.3896 0.7676 2.1196 1.4028 4.3453 0.0877 0.6002 1.2215 0.5097 0.8851 1.1179 0.1982 0.1505 0.9372 1.3064 1.6649 1.1693 1.3970 2.4855 2.1792 0.6975 2.2285 5.0562 3.4119 1.5213 1.0198 1.8517 3.6122 1.2662 2.5791 3.2338 6.3252 1.2386 0.3919 4.7589 4.5304 3.8342 4.7397 5.1351 4.8168 4.0397 1.3340 3.8815 7.6705 2.0363 6.5235 12.1682 1.3725 24.3816 6.9534 5.1453 4.7564 11.2436 8.3710 3.5196 4.2630 2.7159 1.0674 1.7361 0.4428 4.5493 1.5822 3.1593 17.5645 3.8290 5.3049 2.3763 5.7580 4.2711 8.4590 2.4579 5.7646 1.9999 13.2119 1.1438 4.7294 3.9601 11.3399 14.2281 10.8745 3.9959 6.1521 9.1045 2.1523 5.7695 2.9203 1.0412 2.1323 15.3604 13.1126 2.1630 12.1660 25.7408 2.7020 12.8314 9.0752 14.6059 12.5552 11.6891 20.6165 6.5201 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 14.00307 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 4391.9561 65780.1333 68169.0549 1.00000 -0.00161 -0.00076 0.00161 0.99999 0.00466 0.00075 -0.00466 0.99999 1 0.01972 0.00132 0.00127 0.41092 0.02744 0.02647 10.74 13.70 18.21 32.38 44.27 48.25 52.78 69.95 79.87 85.05 101.35 104.42 115.73 122.81 134.75 155.43 181.04 233.26 247.54 270.05 280.95 293.08 319.89 346.72 362.17 391.09 408.36 414.78 438.83 455.02 460.20 481.61 485.28 533.18 555.62 574.23 584.37 608.17 622.84 634.45 637.59 664.47 744.81 748.17 761.24 784.19 818.35 886.76 891.13 933.05 937.93 946.39 953.53 1009.26 1009.59 1061.10 1074.06 1086.68 1099.90 1121.91 1144.49 1172.26 1175.86 1201.51 1216.34 1230.37 1275.69 1293.14 1319.39 1329.62 1423.44 1439.12 1447.00 1472.06 1475.10 1489.83 1501.97 1508.64 1538.30 1575.98 1600.78 1609.99 1650.65 1655.78 1667.30 1685.79 1725.26 1748.32 1766.18 1778.13 1814.19 1825.33 1851.69 1861.32 1862.78 1870.23 1881.59 1893.89 1906.65 1921.55 1929.67 1940.88 1965.24 2000.02 2013.28 2064.47 2067.43 2073.35 2089.15 2104.41 2127.77 2131.67 2147.01 2151.99 2162.40 2217.70 2239.00 2252.03 2280.22 2303.45 2306.73 2319.16 2345.36 2347.70 2356.95 2365.35 2368.65 2375.73 2376.34 2388.92 2390.01 2429.56 2454.70 2462.79 2475.37 2545.54 2547.36 2577.96 2615.04 2620.82 2704.69 2804.00 4605.97 4613.51 4625.54 4638.41 4669.74 4688.72 4691.40 4694.51 4700.44 4702.16 4719.35 4757.66 4771.66 4775.78 4783.69 4786.14 4797.04 4829.78 4844.80 4880.27 4895.78 4916.44 4965.84 5468.52 5583.66 5632.32 0.498502 0.529663 0.530607 0.427729 -2156.112755 -2156.081595 -2156.080651 -2156.183529 3.450545D-04 MUNgauss RevisionA2.0 retrievium 17-Jan-2021 DUDE COc1ccc(cc1OC)CCNC(=O)CSc2nnc(n2CC=C)Cc3csc(n3)N C06147817 RHF 6-31G(d) (6D,10F) C1 474.150783 |X|Y|Z| 185.649024 27.068354 45.295157 61.056995 23 6 7 16 16 5 2 |36.858105| |13.646168|73.516695| |8.043518|25.129576|36.858105| |6.744735|14.017242|13.860404|36.858105| |4.512700|9.213318|7.905517|13.627547|36.858105| |3.784191|8.164744|6.796572|7.907392|13.874105|36.858105| |3.990949|9.405992|7.913914|6.910832|7.987861|13.578978|36.858105| |5.246430|14.492855|13.504125|7.935255|6.866423|7.860844|13.851598|36.858105| |4.794008|13.129345|8.164451|5.301908|4.626268|5.172041|7.899395|14.156073|73.516695| |3.549206|8.519466|5.245970|3.994636|3.805762|4.510349|6.752735|8.036667|24.228029|36.858105| |2.919393|5.984582|4.414903|4.999786|7.546731|12.594777|7.558960|5.017825|6.867192|3.690812|36.858105| |2.628309|5.319549|3.755816|4.110619|5.539451|7.541337|5.850699|4.245498|6.153007|3.404972|12.420143|36.858105| |2.196127|4.345206|2.936861|3.172898|4.029430|4.982584|4.191436|3.259104|4.978584|2.833022|7.648337|13.121222|53.358707| |2.003563|3.984638|2.639891|2.753675|3.348777|4.156360|3.794974|2.995486|4.744081|2.802007|5.853604|7.767259|19.220156|36.858105| |2.051939|4.151747|2.746435|2.775657|3.306633|4.235773|4.142863|3.229350|5.214305|3.193138|5.622370|6.826633|11.551349|15.865493|73.516695| |1.740804|3.395343|2.196252|2.299310|2.723826|3.188914|2.928700|2.424822|3.916762|2.303095|4.187336|5.029187|10.775800|12.544383|14.157598|36.858105| |1.576482|3.080852|1.955183|1.995462|2.287726|2.661335|2.568538|2.179411|3.632068|2.190844|3.270488|3.678944|6.525362|6.985017|11.822897|10.514429|388.023441| |1.406907|2.705387|1.695944|1.747528|1.982558|2.229014|2.124126|1.846179|3.082976|1.828849|2.676344|2.951816|5.099755|4.682890|7.514254|7.112010|76.965063|36.858105| |1.386889|2.644346|1.657413|1.728457|1.967217|2.176842|2.038372|1.779588|2.947931|1.723683|2.617600|2.906823|5.072742|4.355277|6.650006|6.665805|49.738343|14.845839|53.358707| |1.264432|2.393706|1.484839|1.544618|1.734671|1.891414|1.783421|1.581507|2.640618|1.540581|2.218895|2.410847|4.016438|3.324927|5.283792|4.520796|35.135614|8.929224|19.003550|53.358707| |1.220765|2.317834|1.431011|1.474371|1.642850|1.799314|1.721315|1.533076|2.584071|1.521005|2.087807|2.241053|3.656983|3.087345|5.097912|4.038683|35.176506|8.890701|12.114298|20.252615|36.858105| |1.292605|2.475986|1.535399|1.570962|1.756344|1.954521|1.886845|1.665668|2.814729|1.675357|2.285742|2.460943|4.050347|3.581896|6.045710|4.762910|49.310110|14.000097|11.907806|11.924520|13.922327|53.358707| |1.259925|2.422372|1.493106|1.509815|1.670851|1.865889|1.834811|1.630943|2.790793|1.680716|2.145186|2.273958|3.623756|3.212353|5.715111|3.933434|42.062386|7.532163|7.227819|7.219552|7.468485|17.784661|36.858105| |1.240609|2.390833|1.465822|1.469212|1.611989|1.801233|1.795605|1.607599|2.778491|1.686897|2.040652|2.196602|3.444046|3.041220|5.538840|3.574525|37.532738|5.819070|5.961995|5.828441|5.463115|10.495836|12.654061|36.858105| |1.275615|2.474475|1.513883|1.501197|1.637917|1.844056|1.869067|1.676854|2.928252|1.802606|2.067695|2.218539|3.410211|3.030376|5.748390|3.377688|35.071345|4.651579|4.909826|4.631332|4.036295|7.284198|7.651180|14.461062|36.858105| |1.116330|2.108100|1.290051|1.325043|1.460106|1.582308|1.522996|1.373782|2.331779|1.370125|1.801720|1.906746|3.021405|2.489071|4.190425|3.067904|25.777859|5.278030|7.221214|10.578417|12.699300|10.136238|6.008128|4.726328|3.575152|36.858105| |1.063429|2.008858|1.221855|1.245781|1.360872|1.473471|1.433898|1.303198|2.230950|1.317102|1.655918|1.760806|2.747037|2.259879|3.875476|2.703139|23.042041|4.337710|5.679383|7.289666|7.492270|8.048353|5.613842|5.112529|3.811529|12.646475|36.858105| |1.010197|1.906693|1.153610|1.170529|1.269900|1.371778|1.344501|1.230126|2.119274|1.254186|1.525667|1.605388|2.464838|2.018251|3.515176|2.347073|19.947551|3.499347|4.490846|5.393334|5.158084|6.239303|4.886958|4.626021|3.631832|7.532509|14.231690|36.858105| |0.963821|1.817445|1.093512|1.104088|1.189118|1.280858|1.264311|1.165268|2.020387|1.197756|1.409069|1.491797|2.262872|1.839081|3.229917|2.093263|17.556517|2.925715|3.770768|4.320575|3.828454|4.881760|3.851242|4.111814|3.419222|4.751127|7.521094|10.922936|388.023441| |1.013189|1.911891|1.155054|1.170434|1.266779|1.366605|1.342066|1.230965|2.123687|1.256335|1.513829|1.628370|2.499858|2.034352|3.527542|2.357290|19.691947|3.387634|4.452221|5.174518|4.511900|5.575455|4.080443|4.479686|3.593446|5.306959|8.687156|7.854707|77.616042|36.858105| |1.064875|2.011225|1.222070|1.244884|1.357623|1.468543|1.431081|1.302893|2.232534|1.317697|1.645520|1.775817|2.770199|2.268605|3.878632|2.705197|22.743193|4.192646|5.603599|6.925014|6.326799|7.171084|4.842922|4.966447|3.772589|7.668299|13.788823|8.260559|52.813972|14.902777|53.358707| |0.997377|1.880194|1.132353|1.144881|1.233800|1.327525|1.307937|1.205198|2.085278|1.233109|1.460328|1.582614|2.410342|1.944866|3.380468|2.218012|18.158015|2.999925|3.981007|4.440695|3.647765|4.660923|3.390248|3.864415|3.281161|3.965563|5.435495|5.056176|49.890778|13.953221|11.126269|53.358707| |17.548483|16.445799|7.058789|6.745910|4.580044|3.737797|3.800426|4.754272|7.522413|3.240409|2.913520|2.561310|2.941488|1.970121|3.565515|1.722693|11.072533|1.396826|1.878591|1.716426|1.216551|1.748914|1.250843|1.223719|1.253730|1.114131|1.057262|1.004853|6.791454|1.001542|1.435330|1.337440|0.500000| |17.642856|17.027515|5.892918|4.913124|3.615951|3.176963|3.414096|4.406169|7.765963|3.341781|2.539195|2.324109|2.691536|1.828508|3.345171|1.603856|10.457428|1.317963|1.764766|1.617486|1.151947|1.658625|1.193492|1.179774|1.216076|1.058567|1.012766|0.965506|6.574853|0.969155|1.381108|1.300959|0.299942|0.500000| |17.547948|16.445219|7.056582|6.745313|4.578086|3.735317|3.797195|4.750237|7.514121|3.237595|2.915972|2.687306|3.045423|2.015783|3.630194|1.754724|11.197298|1.411070|1.904542|1.735011|1.224802|1.758771|1.252432|1.234872|1.265024|1.118602|1.065546|1.009312|6.857393|1.018059|1.457509|1.367440|0.299012|0.299953|0.500000| |7.510937|12.554137|8.951305|17.758375|8.925045|5.654545|4.975046|5.634913|7.595136|3.330802|4.090211|3.495422|3.823969|2.446809|4.329569|2.093915|12.970392|1.624066|2.203052|1.985073|1.389444|1.998164|1.408153|1.369131|1.392395|1.256322|1.181803|1.111968|7.469569|1.112325|1.607890|1.482766|0.225828|0.146582|0.225840|0.500000| |3.921460|7.448875|5.648572|8.915910|17.704168|8.945165|5.653277|4.947785|6.521648|3.141033|6.951391|5.303005|5.512007|3.284845|5.569800|2.737922|16.062674|1.992332|2.728941|2.410218|1.661935|2.395334|1.657140|1.587257|1.596713|1.476821|1.368203|1.272476|8.443370|1.267726|1.856191|1.677868|0.113472|0.089169|0.113393|0.217168|0.500000| |3.330707|7.591911|5.629528|4.973851|5.685026|8.919879|17.745111|8.960942|12.609747|7.551796|7.083634|5.896387|5.994304|4.215836|8.716434|3.171787|20.204465|2.285710|2.935488|2.551855|1.823727|2.758805|1.988711|1.955263|2.058308|1.605360|1.514997|1.421025|9.497304|1.416958|2.056521|1.876590|0.088259|0.082056|0.088160|0.107937|0.124492|0.500000| |3.238811|7.513124|4.748945|3.800781|3.756064|4.578653|6.749570|7.047457|16.438832|17.555976|3.863455|3.435833|3.957162|2.928277|6.024776|2.403524|16.415613|1.911803|2.434453|2.172964|1.583026|2.387450|1.769495|1.762037|1.887699|1.424101|1.363434|1.300199|8.775547|1.288572|1.844141|1.710941|0.085036|0.084252|0.081728|0.088212|0.086911|0.227146|0.500000| |3.238680|7.515662|4.752224|3.802546|3.757817|4.581361|6.755614|7.055189|16.437879|17.556327|3.874808|3.765114|4.226903|3.089232|6.365931|2.495503|16.849094|1.950402|2.493467|2.212366|1.602337|2.414507|1.775406|1.797319|1.928739|1.434264|1.382095|1.310595|8.923758|1.325029|1.892939|1.776043|0.081788|0.084241|0.084956|0.088228|0.086918|0.226917|0.299104|0.500000| |3.344386|7.772714|4.409820|3.418301|3.192825|3.614088|4.918187|5.893484|17.025164|17.644227|3.052424|2.868867|3.343077|2.448860|4.914154|2.062894|14.178858|1.686531|2.163977|1.951886|1.422614|2.125229|1.576899|1.592599|1.708040|1.291776|1.249571|1.196331|8.170805|1.199918|1.703028|1.607639|0.084339|0.090728|0.084276|0.082077|0.075192|0.147136|0.299919|0.299894|0.500000| |2.689093|5.549212|3.971669|4.235639|5.732592|8.889290|7.047892|4.708878|6.760990|3.810512|17.565971|8.906437|9.635472|6.357169|11.735568|4.462911|25.618492|2.859394|3.716484|3.138230|2.197067|3.328511|2.321648|2.190924|2.236264|1.888917|1.731651|1.599783|10.444171|1.568359|2.323214|2.045848|0.074837|0.066071|0.073206|0.097841|0.145322|0.210356|0.115939|0.110328|0.087282|0.500000| |2.784295|5.506490|3.958743|4.722559|7.193936|8.893900|5.619690|4.189151|5.870347|3.112237|17.539944|8.857262|9.430034|5.206055|8.351692|4.048614|22.088047|2.637762|3.586742|3.057788|2.090841|3.068989|2.090898|1.962486|1.961108|1.808613|1.646237|1.513412|9.879761|1.491628|2.216449|1.951125|0.078834|0.067231|0.077784|0.112587|0.216775|0.143125|0.090397|0.088908|0.073537|0.303067|0.500000| |2.711507|5.376623|3.772911|4.285672|5.761449|6.820723|5.177457|4.035542|5.825607|3.124086|8.815802|17.581787|12.579893|5.806171|8.981745|4.289331|22.689194|2.680388|3.678188|3.096243|2.096182|3.073637|2.075241|2.015024|2.020897|1.800360|1.668242|1.520857|10.109723|1.557102|2.304713|2.073115|0.073058|0.066182|0.078848|0.103438|0.160954|0.135763|0.085410|0.095201|0.074335|0.174127|0.213355|0.500000| |2.654187|5.492002|3.846681|3.970097|4.996716|6.950203|6.375030|4.581423|6.802539|3.887665|8.828983|17.635937|12.587638|7.303861|13.328440|4.685005|26.129821|2.874094|3.767559|3.144260|2.180092|3.296455|2.276970|2.243801|2.306432|1.862599|1.742932|1.596678|10.645825|1.633190|2.405951|2.173305|0.070557|0.065779|0.074990|0.092763|0.125511|0.192795|0.107133|0.125201|0.089695|0.211320|0.173767|0.303127|0.500000| |2.085843|4.048379|2.702188|2.975569|3.750894|4.343108|3.598800|2.904162|4.455808|2.499283|6.265041|8.994178|26.076205|9.403587|10.873400|7.618207|31.728097|3.763094|5.356403|4.229051|2.753886|4.044750|2.597211|2.441776|2.371667|2.270029|2.042219|1.818948|11.825041|1.847819|2.806594|2.422000|0.057393|0.052240|0.059476|0.074882|0.109217|0.101832|0.070896|0.075009|0.061069|0.156732|0.178712|0.227985|0.182318|0.500000| |1.716996|3.322090|2.149231|2.280240|2.719675|3.131858|2.813674|2.340264|3.753352|2.179506|4.155161|4.657842|9.563944|8.871687|11.010171|17.607662|56.404660|6.767228|9.415605|6.459737|4.124664|6.360708|3.789253|3.294432|3.062486|3.141708|2.685192|2.332325|14.541383|2.276040|3.578910|2.880927|0.047647|0.043851|0.048002|0.058097|0.077312|0.083144|0.063586|0.064497|0.054332|0.123306|0.117437|0.112425|0.115238|0.206980|0.500000| |1.682605|3.254880|2.089801|2.196524|2.577589|2.946201|2.700923|2.276573|3.687660|2.149946|3.747712|4.676173|9.711188|8.856354|10.887312|17.625518|56.462964|6.731645|9.704468|6.471337|4.060533|6.205273|3.668997|3.435973|3.196063|3.081085|2.738334|2.346333|15.056211|2.439200|3.829569|3.163037|0.046078|0.043151|0.047515|0.056093|0.072598|0.079912|0.061368|0.064953|0.053898|0.105913|0.101707|0.117479|0.121609|0.210460|0.303675|0.500000| |1.319499|2.549873|1.577707|1.591014|1.766482|1.991088|1.965714|1.735805|2.969874|1.799151|2.301193|2.403537|3.818256|3.446040|6.273783|4.129532|45.782481|6.920305|6.609513|6.218993|5.802081|12.509361|17.599257|8.890911|7.265904|4.750863|4.324807|3.947525|22.871407|3.318366|5.174361|3.884042|0.036452|0.034667|0.036271|0.041017|0.048446|0.059670|0.053151|0.052640|0.046715|0.070389|0.062023|0.060102|0.066915|0.074936|0.111380|0.102282|0.500000| |1.185198|2.266511|1.389037|1.405727|1.546215|1.709140|1.679416|1.506497|2.584467|1.549011|1.944148|2.035707|3.195356|2.753658|4.878041|3.296650|31.965694|5.714543|6.176860|6.698120|7.178136|12.634403|17.622657|8.926891|6.057660|6.965373|6.634335|6.118344|31.161156|4.337553|6.954239|4.702744|0.032772|0.031272|0.032702|0.036619|0.042733|0.050177|0.045274|0.045121|0.040593|0.058142|0.053068|0.052096|0.056351|0.064202|0.090609|0.086544|0.303347|0.500000| |1.188186|2.278492|1.391665|1.398254|1.528675|1.693029|1.681711|1.515480|2.618980|1.579804|1.906578|2.068666|3.234215|2.793501|4.997317|3.289676|32.143425|5.286247|5.813515|5.933905|5.548504|9.386027|8.665304|17.696731|9.146278|5.012048|5.973896|5.235553|34.886562|5.790283|8.653878|6.703401|0.032517|0.031435|0.032977|0.036365|0.041971|0.050452|0.045468|0.046788|0.041569|0.056112|0.051164|0.053398|0.058581|0.064451|0.084402|0.091020|0.171948|0.204680|0.500000| |1.330070|2.594164|1.591267|1.570960|1.716210|1.948861|1.989939|1.776941|3.110920|1.932140|2.187367|2.314233|3.531751|3.177202|6.200779|3.452397|36.248349|4.444780|4.671596|4.321290|3.692439|6.682899|6.941523|9.081769|17.695800|3.255999|3.331204|3.207668|21.050315|3.039123|4.371732|3.785728|0.036359|0.035194|0.036461|0.040286|0.046225|0.061471|0.056818|0.057269|0.050737|0.066714|0.057286|0.057865|0.067059|0.067371|0.087405|0.087925|0.218117|0.154589|0.173340|0.500000| |1.246213|2.416087|1.469544|1.449742|1.569569|1.759433|1.796668|1.626473|2.861885|1.766458|1.947000|2.101466|3.180969|2.776018|5.285187|3.017064|29.363029|3.875099|4.293906|4.079377|3.453547|5.836690|5.484790|9.116460|17.723596|3.140108|3.443686|3.333830|23.685611|3.518417|4.825330|4.558249|0.033888|0.033120|0.034374|0.037413|0.042378|0.054868|0.050967|0.052713|0.046825|0.057947|0.051092|0.053626|0.061270|0.061420|0.075572|0.080978|0.143231|0.130364|0.218157|0.289218|0.500000| |1.104962|2.086330|1.275381|1.308614|1.439952|1.559904|1.503845|1.358247|2.308501|1.357287|1.771881|1.847102|2.902220|2.389347|4.061075|2.895858|24.361678|4.726560|6.250692|8.311098|8.926476|8.934641|5.910293|4.418455|3.444878|17.547149|8.953759|7.200696|31.199545|4.409618|7.688084|4.614176|0.030724|0.029126|0.030650|0.034474|0.040427|0.044046|0.039387|0.039253|0.035583|0.051952|0.049529|0.048250|0.050043|0.060270|0.083621|0.078855|0.136574|0.208518|0.123388|0.089625|0.083216|0.500000| |1.090589|2.049321|1.252513|1.292936|1.423927|1.530448|1.463742|1.324559|2.241291|1.307907|1.738640|1.840697|2.909697|2.349467|3.908580|2.880680|22.924081|4.563132|6.788400|10.414600|9.215491|7.702224|4.543926|3.789272|3.006797|17.587363|8.974561|6.062724|30.070570|4.820638|9.173003|5.106661|0.030275|0.028718|0.030441|0.034208|0.040242|0.042544|0.037626|0.037964|0.034264|0.050169|0.048858|0.048748|0.049614|0.061497|0.082943|0.081773|0.105878|0.138907|0.112331|0.076943|0.075163|0.302890|0.500000| |0.993904|1.874485|1.132677|1.148772|1.244458|1.342504|1.316768|1.206801|2.081121|1.231228|1.489508|1.550590|2.367115|1.933328|3.382228|2.227311|18.819095|3.232263|4.133169|4.886768|4.591491|5.688919|4.587416|4.156425|3.383077|6.549969|8.758170|17.808896|54.723546|5.479111|7.769186|5.402336|0.027531|0.026407|0.027515|0.030339|0.034637|0.038632|0.035584|0.035568|0.032661|0.043547|0.041143|0.040729|0.042748|0.048444|0.062146|0.061065|0.107497|0.166180|0.122642|0.085633|0.085540|0.203486|0.150107|0.500000| |0.949791|1.786101|1.071275|1.081506|1.159957|1.242822|1.227231|1.137047|1.973261|1.165380|1.357643|1.463616|2.207737|1.767173|3.083640|1.987855|16.059890|2.598520|3.461833|3.832063|3.107820|3.988793|2.940690|3.308552|2.901409|3.418082|4.535213|4.508212|47.334960|9.403555|8.210535|26.036237|0.025995|0.025345|0.026568|0.028658|0.032182|0.035844|0.032953|0.034163|0.031122|0.038750|0.037047|0.039255|0.041047|0.045251|0.052950|0.057594|0.070293|0.084140|0.112377|0.069506|0.083065|0.083661|0.091296|0.102039|0.500000| 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