Version2.1 2021-01-19T02:10:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 22-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(n(n1)[C@@H]2CCS(=O)(=O)C2)C)CN(C)S(=O)(=O)c3ccc(cc3)N4CCCC4=O C12688669 RHF 6-31G(d) (6D,7F) Cc1c(c(n(n1)[C@@H]2CCS(=O)(=O)C2)C)CN(C)S(=O)(=O)c3ccc(cc3)N4CCCC4=O C01[X(C21H28N4O5S2)] 174 C1 544 Cc1nn(c(c1CN(S(=O)(=O)c1ccc(cc1)N1CCCC1=O)C)C)[C@@H]1CCS(=O)(=O)C1 Cc1nn(c(c1CN(S(=O)(=O)c1ccc(cc1)N1CCCC1=O)C)C)[C@@H]1CCS(=O)(=O)C1 CN(Cc1c(C)nn([C@@H]2CC[S](=O)(=O)C2)c1C)[S](=O)(=O)c3ccc(cc3)N4CCCC4=O InChIKey=NNIUTVVTMCHJMP-GOSISDBHSA-N InChI=1S/C21H28N4O5S2/c1-15-20(16(2)25(22-15)18-10-12-31(27,28)14-18)13-23(3)32(29,30)19-8-6-17(7-9-19)24-11-4-5-21(24)26/h6-9,18H,4-5,10-14H2,1-3H3/t18-/m1/s1 InChI=1/C21H28N4O5S2/c1-15-20(16(2)25(22-15)18-10-12-31(27,28)14-18)13-23(3)32(29,30)19-8-6-17(7-9-19)24-11-4-5-21(24)26/h6-9,18H,4-5,10-14H2,1-3H3/t18-/m1/s1 Cc1c(c(n(n1)[C@@H]2CCS(=O)(=O)C2)C)CN(C)S(=O)(=O)c3ccc(cc3)N4CCCC4=O C01[X(C21H28N4O5S2)] 174 C01 544 Cc1nn(c(c1CN(S(=O)(=O)c1ccc(cc1)N1CCCC1=O)C)C)[C@@H]1CCS(=O)(=O)C1 O=C1CCCN1[C]1[CH][CH][C]([CH][CH]1)[S@@]([O])(=O)N(C[C]1[C]([N][N@@]([C]1C)[C@@H]1CC[S@@](=O)([O])C1)C)C C[C]1[N]N([C](C)[C]1CN(C)[S]([O])(=O)[C]2[CH][CH][C]([CH][CH]2)N3CCCC3=O)[C@@H]4CC[S]([O])(=O)C4 InChIKey=NNIUTVVTMCHJMP-GOSISDBHSA-N InChI=1S/C21H28N4O5S2/c1-15-20(16(2)25(22-15)18-10-12-31(27,28)14-18)13-23(3)32(29,30)19-8-6-17(7-9-19)24-11-4-5-21(24)26/h6-9,18H,4-5,10-14H2,1-3H3/t18-/m1/s1 InChI=1/C21H28N4O5S2/c1-15-20(16(2)25(22-15)18-10-12-31(27,28)14-18)13-23(3)32(29,30)19-8-6-17(7-9-19)24-11-4-5-21(24)26/h6-9,18H,4-5,10-14H2,1-3H3/t18-/m1/s1 3616.5427102534 -2198.5310775 1-A 28253.5461 127 417 544 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.20592 -92.17729 -20.55179 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0.6414 0.5684 0.8268 0.5014 0.8486 0.6817 0.8571 0.7810 0.4163 0.4360 0.8559 0.7807 0.5634 0.8130 0.6435 0.6644 0.4609 0.6851 0.7619 0.8250 0.7830 0.7749 0.8542 0.8564 0.5605 0.8196 0.8556 0.8012 0.8143 0.3997 0.7473 0.6820 0.1560 0.8448 0.6423 0.6894 0.8559 0.3877 0.4359 0.5932 0.8043 0.2711 0.1051 0.3195 0.1742 0.0696 0.6048 0.3753 0.7016 0.3373 0.6845 0.6738 0.2285 0.1504 0.2563 0.4710 0.8570 0.4748 0.2938 0.6605 0.7591 0.7553 0.3337 0.6798 0.8500 0.3232 0.6449 0.7299 0.8511 0.8217 0.6686 0.4320 0.8514 0.8271 0.3160 0.4976 0.2858 0.6301 0.2758 0.2403 0.7651 0.5030 0.8563 0.5236 0.2508 0.6388 0.8536 0.7876 0.8570 0.8521 0.7319 0.6151 0.7770 0.6315 0.4959 0.8403 0.8458 0.4906 0.7159 0.4379 0.6822 0.5799 0.8040 0.8409 0.7709 0.7122 0.8316 0.8462 0.7127 0.7838 0.8532 0.8571 0.8001 0.8174 0.5549 0.8376 0.7989 0.8507 0.8398 0.7346 0.8456 0.7289 0.8240 0.6908 0.6467 0.5018 0.2558 0.7708 0.6215 0.6184 0.4863 0.1817 0.8196 0.3637 0.0627 0.0678 0.3044 0.3770 0.4008 0.8566 0.8558 0.1814 0.1517 0.3201 0.6742 0.6509 0.4288 0.7991 0.6998 0.5407 0.4714 0.6879 0.8289 0.8408 0.8379 0.8545 0.5204 0.2514 0.3540 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 6 6 6 6 7 7 6 1 6 6 16 8 8 6 6 6 7 6 16 8 8 6 6 6 6 6 6 7 6 6 6 6 8 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 14.00307 14.00307 12.00000 1.00783 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 14.00307 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 15.99491 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 5039.2441 48721.2679 50430.6953 0.99997 0.00287 -0.00647 -0.00294 0.99994 -0.01052 0.00644 0.01053 0.99992 1 0.01719 0.00178 0.00172 0.35814 0.03704 0.03579 17.18 17.73 25.52 34.47 48.93 59.80 78.92 85.63 93.96 119.99 129.51 156.80 180.45 189.52 212.31 226.05 255.76 261.41 274.31 299.59 300.89 331.96 341.43 344.10 360.23 415.92 436.63 460.15 475.36 484.88 528.63 541.66 553.78 579.03 610.74 626.57 632.92 648.55 659.96 670.45 704.74 741.71 779.90 811.85 859.27 872.87 883.02 888.52 899.06 925.80 953.26 999.24 1024.07 1044.12 1079.70 1096.05 1103.96 1123.23 1140.10 1168.37 1197.41 1226.87 1254.12 1290.14 1338.75 1346.79 1385.19 1405.45 1419.51 1434.54 1446.05 1451.19 1474.27 1482.30 1525.53 1533.56 1577.58 1594.01 1594.20 1600.24 1610.97 1613.34 1674.46 1681.71 1686.10 1691.97 1726.97 1735.79 1738.94 1760.48 1761.19 1767.33 1774.53 1805.44 1818.31 1849.97 1865.38 1868.65 1881.61 1908.21 1910.97 1938.10 1956.03 1963.38 1978.36 1983.20 1991.45 2048.56 2073.93 2075.36 2083.81 2101.14 2107.71 2108.81 2118.82 2124.33 2150.14 2153.29 2165.00 2223.81 2241.37 2245.48 2261.38 2281.46 2282.42 2308.07 2314.13 2316.77 2323.73 2333.06 2343.98 2351.48 2355.82 2371.77 2371.92 2375.59 2382.47 2384.56 2393.38 2419.11 2426.56 2430.69 2534.72 2559.25 2590.49 2868.98 4583.72 4608.58 4617.81 4618.90 4621.36 4644.30 4660.22 4685.62 4689.21 4697.97 4715.78 4722.91 4724.61 4737.20 4740.24 4747.89 4757.44 4760.52 4764.26 4785.43 4797.58 4809.33 4823.45 4836.04 4896.39 4902.52 4919.76 4997.00 0.525470 0.554759 0.555703 0.460024 -2198.005608 -2197.976319 -2197.975375 -2198.071053 3.209056D-04 MUNgauss RevisionA2.0 retrievium 19-Jan-2021 DUDE Cc1c(c(n(n1)[C@@H]2CCS(=O)(=O)C2)C)CN(C)S(=O)(=O)c3ccc(cc3)N4CCCC4=O C12688669 RHF 6-31G(d) (6D,10F) C1 480.150114 |X|Y|Z| 44.727856 33.430150 158.541184 61.889860 24 6 7 16 18 4 2 |36.858105| |12.700010|36.858105| |7.244189|13.426546|36.858105| |5.178449|8.630618|13.891662|36.858105| |5.371850|9.031202|8.754563|14.147982|53.358707| |7.828551|14.653326|8.501855|8.539698|19.327003|53.358707| |3.958788|5.487166|5.302576|7.570417|17.981376|10.813690|36.858105| |3.409360|4.592416|4.871810|7.297401|12.686932|7.931474|17.629593|0.500000| |3.599829|4.591628|4.229286|5.300284|10.440836|8.659772|12.381498|0.245420|36.858105| |2.863361|3.434262|3.221828|3.890134|6.857707|6.011325|7.677543|0.188949|12.387428|36.858105| |2.789176|3.327130|3.125718|3.757371|6.562664|5.783747|7.270571|0.182356|7.110053|10.572004|388.023441| |2.614016|2.973266|2.715800|3.093746|5.256686|5.044640|5.053369|0.124417|5.240737|7.126429|94.358690|73.516695| |2.435598|2.896063|2.854443|3.472769|5.614177|4.771789|5.856323|0.174396|5.339809|7.227825|94.131327|13.604751|73.516695| |3.616634|4.619467|4.247141|5.313269|10.489829|8.728026|12.427655|0.246993|7.776934|7.130434|75.843850|12.740083|12.927546|36.858105| |3.714422|5.165245|7.322207|12.708581|10.333292|7.082928|6.173892|0.203454|4.545394|3.612085|24.949930|5.051887|6.201078|4.539178|36.858105| |5.806980|7.252367|12.682895|7.396282|7.119103|7.021306|3.796089|0.102122|3.213537|2.592089|17.967311|3.988708|4.224939|3.218280|5.870150|36.858105| |4.485442|5.290960|7.717271|5.949778|5.971376|5.696506|3.399493|0.094138|2.816621|2.364408|17.006016|3.791584|4.095929|3.027698|5.455134|12.954407|53.358707| |4.617063|5.056806|6.191364|4.899732|5.469780|5.512242|3.186967|0.086194|2.637346|2.258051|16.739190|3.811044|3.999105|3.006943|4.303963|7.689251|17.790934|36.858105| |3.310101|3.701851|4.879839|4.278991|4.530347|4.261183|2.763415|0.078682|2.371072|2.046700|14.608637|3.276121|3.598107|2.480692|4.452016|7.137208|15.777465|7.186135|388.023441| |2.860086|3.161392|3.936119|3.648320|4.032001|3.779050|2.546686|0.073130|2.171652|1.920330|14.037650|3.167253|3.507942|2.362457|3.885690|4.984811|10.514168|6.621045|94.725839|73.516695| |3.078732|3.534650|4.739734|4.418216|4.585826|4.176578|2.836011|0.082508|2.467064|2.118529|14.772518|3.272027|3.668600|2.466440|4.977550|6.552915|10.518291|5.009721|94.594988|13.601336|73.516695| |3.136042|3.244566|3.933086|3.332356|3.749386|3.698939|2.318709|0.064659|2.063501|1.796073|12.697206|2.906044|3.093591|2.112211|3.286142|5.643878|9.405709|5.634954|76.597228|13.106596|13.086317|36.858105| |2.847684|2.856114|3.291895|2.834225|3.303960|3.309082|2.079916|0.057671|1.858572|1.642711|11.769252|2.728202|2.869763|1.943521|2.769227|4.337201|7.264482|5.196792|49.507182|11.543024|8.861422|13.762671|36.858105| |2.599747|2.528419|2.808236|2.432191|2.909438|2.957343|1.854265|0.051089|1.688882|1.502819|10.702263|2.506033|2.599588|1.742222|2.354488|3.550907|5.435519|3.970241|33.659204|7.870280|6.837025|7.952228|13.783626|36.858105| |2.568190|2.473346|2.726731|2.356071|2.831049|2.891102|1.805920|0.049640|1.670534|1.481055|10.394086|2.434861|2.514795|1.678569|2.272498|3.443304|4.911309|3.430700|29.729728|6.551030|6.542774|6.832325|7.889826|13.657724|36.858105| |2.774379|2.715143|3.063560|2.623768|3.099936|3.142789|1.957689|0.053955|1.816296|1.591817|11.024906|2.560219|2.663588|1.785091|2.537948|4.006339|5.450679|3.552106|33.574266|6.819108|7.828096|7.919473|6.859884|7.923253|13.626870|36.858105| |3.079466|3.131346|3.722940|3.148938|3.588810|3.572662|2.227833|0.061858|2.031288|1.760045|12.196983|2.797353|2.955445|2.002632|3.080499|5.254600|7.301844|4.351694|49.322857|8.830821|11.433125|13.719281|7.948214|6.898111|7.917673|13.808903|36.858105| |2.279525|2.162676|2.320382|2.034199|2.496725|2.568099|1.615013|0.044250|1.513227|1.353967|9.489286|2.242304|2.293250|1.513676|1.957836|2.804337|3.913887|2.800235|22.726267|5.186124|5.169256|4.543657|5.165341|7.885689|13.559362|7.775211|5.144614|53.358707| |2.117527|1.991737|2.101503|1.857145|2.310226|2.388425|1.506849|0.041178|1.411107|1.273690|9.010037|2.145499|2.177942|1.432392|1.782036|2.473940|3.506996|2.607929|19.877127|4.723796|4.452343|3.740473|4.489530|6.643207|7.610588|5.038098|3.888307|17.741457|36.858105| |1.925898|1.799693|1.870958|1.668436|2.102110|2.181694|1.383586|0.037725|1.311687|1.189944|8.372270|2.004511|2.020073|1.317234|1.598836|2.152621|2.978885|2.202319|16.557211|3.921735|3.817211|2.962045|3.337175|4.389805|5.150973|4.007829|3.163008|11.019961|12.445733|36.858105| |1.857214|1.756692|1.842907|1.654031|2.074668|2.136500|1.368968|0.037499|1.305070|1.182736|8.251201|1.966918|1.996308|1.291558|1.599708|2.127642|2.908475|2.092082|16.438266|3.838279|3.893042|2.941435|3.174533|4.061615|5.139697|4.283869|3.280514|11.083998|7.958131|12.485304|36.858105| |2.084209|1.984023|2.115495|1.878567|2.322813|2.383195|1.516292|0.041612|1.438290|1.291315|8.971770|2.122614|2.169870|1.415615|1.818577|2.508123|3.413359|2.401139|19.682241|4.472002|4.672553|3.706187|3.912263|5.161180|7.691769|6.386629|4.378155|18.816496|8.085974|7.942964|12.574673|36.858105| |2.080771|2.001038|2.149095|1.917589|2.361865|2.408980|1.543053|0.042478|1.471904|1.317745|9.075001|2.138093|2.196947|1.427056|1.868105|2.551660|3.408486|2.337385|19.791991|4.410970|4.856668|3.665592|3.641605|4.469253|6.527408|6.660587|4.574766|11.277919|5.429568|5.377708|7.898355|15.967379|73.516695| |17.548692|8.871231|6.382721|4.616924|6.251597|8.257119|3.503447|0.085878|3.314929|2.651452|17.871383|4.187835|3.951890|3.126963|3.466332|5.730363|5.769533|4.149345|23.232523|4.909915|5.510581|3.217077|2.883523|2.681250|2.723324|2.999558|3.287939|3.301738|2.220384|2.034177|1.978330|2.238567|4.007575|0.500000| |17.608256|8.970782|5.481510|4.432601|6.770968|10.265926|3.902146|0.091330|3.679724|2.967386|20.602133|4.954075|4.395325|3.708216|3.288392|4.411035|4.940788|3.797581|19.935150|4.430280|4.690091|2.666900|2.470623|2.290374|2.265142|2.413704|2.625564|2.791249|1.930686|1.779975|1.713402|1.893960|3.356135|0.301065|0.500000| |17.548508|8.862986|6.416417|4.614946|6.223552|8.192729|3.487608|0.085683|3.102988|2.556814|18.249552|4.313858|4.056994|3.306142|3.466209|5.778897|6.562866|5.423735|24.874649|5.447422|5.536499|3.374981|3.142254|2.856669|2.763913|2.918297|3.222783|3.319557|2.290758|2.056676|1.952261|2.187830|3.824830|0.302047|0.301008|0.500000| |4.045603|5.007033|4.253547|4.931017|9.811141|9.872500|8.895829|0.174794|17.609967|8.789916|42.733370|8.993665|7.840284|6.879801|3.993754|3.215778|3.773411|2.638234|16.423687|3.741906|4.211016|2.049896|1.856598|1.699966|1.687819|1.830495|2.029165|2.090231|1.435232|1.338657|1.327309|1.459556|2.649101|0.102830|0.119527|0.094204|0.500000| |3.415557|4.320301|4.172054|5.222693|9.144593|7.498336|8.743377|0.216066|17.593543|8.745172|37.712366|7.328976|7.972287|5.590010|4.695435|3.250038|3.812509|2.553281|17.075748|3.858682|4.550347|2.094372|1.865623|1.698569|1.695589|1.863796|2.090066|2.088761|1.419948|1.322612|1.326188|1.467936|2.691327|0.090421|0.094698|0.081621|0.302196|0.500000| |2.713183|3.131359|2.873551|3.319122|5.704461|5.370195|5.643139|0.137794|8.657737|17.635179|57.059350|12.667619|10.065158|5.599640|3.048260|2.355759|2.919636|2.068532|13.298265|3.122350|3.423321|1.670252|1.538240|1.420389|1.405734|1.505399|1.647018|1.762394|1.222191|1.148816|1.141226|1.239694|2.247547|0.070398|0.079676|0.067261|0.221807|0.190936|0.500000| |2.554739|3.047194|2.968845|3.612104|5.969270|5.095015|6.341287|0.180139|8.679743|17.621008|57.723067|10.080421|13.101895|5.643304|3.553842|2.449264|3.071115|2.129597|14.167961|3.335653|3.716004|1.742123|1.589712|1.454131|1.435147|1.545714|1.710749|1.786572|1.232415|1.152340|1.150605|1.256444|2.287030|0.066681|0.072280|0.064112|0.174091|0.219571|0.299717|0.500000| |3.380001|4.263480|4.111061|5.121122|8.945062|7.386589|8.635930|0.216562|5.577490|5.330915|57.278350|10.615469|12.528541|17.626655|4.608862|3.202873|4.276801|3.176728|18.331805|4.462018|4.496488|2.160722|2.001769|1.779040|1.694289|1.788904|2.015103|2.072075|1.446430|1.322521|1.292367|1.415581|2.526316|0.081046|0.094258|0.088875|0.138796|0.123770|0.121261|0.128904|0.500000| |4.033355|4.982634|4.228018|4.886635|9.690168|9.800420|8.800095|0.174213|6.835676|6.077933|57.264569|12.541956|9.720242|17.631870|3.958917|3.195505|4.044435|3.027300|17.113945|4.058816|4.187798|2.091472|1.940345|1.752084|1.689887|1.788023|1.988525|2.083184|1.454609|1.340791|1.307747|1.428889|2.550698|0.094410|0.119835|0.101597|0.197927|0.138767|0.147359|0.131012|0.298079|0.500000| |3.341414|4.478032|5.795153|8.873249|9.049272|6.361759|6.086998|0.213525|4.292410|3.608805|26.508882|5.296909|6.857904|4.854716|17.553240|4.806394|6.685777|4.159638|29.195875|6.830575|7.782510|3.029006|2.628538|2.232697|2.122882|2.321647|2.776189|2.506112|1.697329|1.522107|1.513858|1.704828|3.088796|0.085090|0.084066|0.088710|0.103581|0.117948|0.083847|0.099381|0.146524|0.113548|0.500000| |3.337730|4.473783|5.757015|8.873927|9.142958|6.390676|6.189990|0.217736|4.927185|3.900893|25.439789|5.075863|6.398829|4.341868|17.551773|4.765048|5.836669|3.487437|26.567424|5.838352|7.690191|2.907319|2.467019|2.142529|2.101137|2.358079|2.812064|2.495111|1.666055|1.511255|1.524256|1.726409|3.178828|0.088580|0.084007|0.085007|0.115592|0.151124|0.090357|0.110198|0.117819|0.103864|0.301249|0.500000| |3.541106|4.678477|6.926513|8.958348|7.680744|5.959190|4.607842|0.143829|3.665824|3.008501|20.833616|4.362371|5.208842|3.651831|17.639720|6.689423|8.903094|4.678106|40.174220|8.336831|12.190965|3.876791|3.151166|2.622744|2.525095|2.861959|3.592297|2.910084|1.923277|1.708738|1.718149|1.976417|3.623410|0.094041|0.085500|0.094025|0.092661|0.106278|0.072557|0.082730|0.104024|0.091727|0.302533|0.301703|0.500000| |4.689280|5.708023|8.956441|6.665159|6.426750|6.062495|3.585986|0.099162|3.124914|2.528931|17.127227|3.778808|4.078526|2.971562|6.008066|17.667195|12.523330|5.658485|51.121983|8.518783|14.361908|5.711905|4.168123|3.461608|3.469349|4.232450|5.773211|3.835967|2.435234|2.134126|2.153354|2.569462|4.752468|0.135467|0.104185|0.125065|0.085539|0.090624|0.063815|0.067486|0.081496|0.080560|0.130811|0.142428|0.205308|0.500000| |6.652938|6.934649|8.949189|5.565059|6.063920|6.490407|3.337874|0.087942|2.934344|2.394146|16.549326|3.754021|3.850940|2.913203|4.448641|17.519252|12.320144|7.069250|42.617111|7.788615|9.420966|5.738937|4.546192|3.856483|3.818069|4.453878|5.623262|4.222191|2.718177|2.359753|2.313776|2.746804|4.931760|0.196433|0.134142|0.192024|0.083741|0.082060|0.061545|0.062446|0.079742|0.082435|0.105698|0.106179|0.134806|0.303073|0.500000| |5.386979|6.151985|7.097644|5.597021|6.466826|6.677765|3.664409|0.096688|2.949567|2.501596|18.856283|4.287240|4.432496|3.522752|4.566556|7.177833|12.566028|17.628889|38.318053|8.961266|7.536178|4.344435|4.032331|3.282517|2.931892|3.048023|3.619395|3.363454|2.325328|2.008449|1.909714|2.160904|3.757924|0.125525|0.123138|0.178100|0.082549|0.077628|0.063362|0.064576|0.104107|0.100019|0.124494|0.101631|0.129420|0.144517|0.181394|0.500000| |3.703917|4.041591|4.805515|4.187834|4.784992|4.694217|2.918921|0.080499|2.418093|2.119008|15.958611|3.643680|3.883194|2.815585|3.941067|5.621424|12.431953|17.678704|49.041520|13.987502|8.416816|5.264503|5.187478|3.894374|3.256263|3.278578|3.947656|3.648349|2.538949|2.133513|2.019687|2.294212|3.945294|0.093522|0.088493|0.117785|0.066433|0.064933|0.053916|0.056020|0.084423|0.077777|0.110641|0.089655|0.119528|0.127511|0.142572|0.301899|0.500000| |4.721678|4.680740|5.290320|4.101236|4.780872|5.028638|2.827115|0.075534|2.417568|2.081361|15.275218|3.536528|3.620306|2.686667|3.572982|6.743667|12.223143|17.496763|43.995002|9.937412|7.860708|5.942387|5.870092|4.582510|3.891619|3.914409|4.631530|4.291779|2.955959|2.458686|2.295415|2.641743|4.498233|0.121044|0.107307|0.163170|0.068259|0.065254|0.053695|0.054411|0.077475|0.076489|0.094671|0.083683|0.106924|0.142351|0.203109|0.300056|0.298791|0.500000| |2.740516|2.775710|3.181793|2.790254|3.272526|3.258855|2.076523|0.057755|1.836110|1.635682|11.886577|2.759182|2.913709|1.968033|2.746542|4.033916|7.146554|5.543873|47.204928|13.266148|8.182537|8.924396|17.754247|8.940849|5.629462|4.948473|5.651399|5.704938|3.923815|2.990125|2.797463|3.290056|5.433305|0.075285|0.066712|0.084765|0.050764|0.050768|0.042456|0.043962|0.056991|0.054484|0.074047|0.067359|0.086110|0.105038|0.113873|0.117745|0.168122|0.169404|0.500000| |2.381686|2.299430|2.504900|2.199572|2.673127|2.726357|1.723351|0.047424|1.573376|1.413372|10.137890|2.390530|2.466348|1.640214|2.130041|3.051918|4.677559|3.563742|27.928234|6.928922|5.757234|5.676039|9.010179|17.774610|8.860731|5.629457|4.970080|9.793584|7.561223|4.704373|4.082823|4.787598|7.099912|0.067544|0.059186|0.073065|0.044051|0.043723|0.037240|0.037978|0.046687|0.045954|0.056837|0.054041|0.065008|0.081742|0.091293|0.083592|0.099707|0.114028|0.217985|0.500000| |2.633140|2.562575|2.845785|2.464864|2.948422|2.997098|1.877195|0.051667|1.768240|1.551640|10.634918|2.475044|2.564613|1.704497|2.383895|3.598944|4.691815|3.057895|27.818857|5.734832|6.869247|5.653230|4.955167|5.643290|8.889735|17.843166|8.972586|9.640291|4.612078|3.974902|4.527444|7.030184|15.275955|0.080388|0.064317|0.075483|0.049632|0.050760|0.040957|0.041941|0.047079|0.047459|0.060281|0.062598|0.073868|0.107764|0.110950|0.075076|0.078285|0.092214|0.107621|0.123774|0.500000| |3.142709|3.278895|3.988716|3.404832|3.822248|3.753220|2.364021|0.065996|2.168768|1.861453|12.713026|2.891752|3.080838|2.082659|3.372359|5.657879|7.221060|4.067155|46.996746|8.136073|13.042996|8.914107|5.653952|4.968130|5.644189|8.973453|17.751783|5.674780|3.254740|2.773378|2.927238|3.804503|7.377333|0.094356|0.074279|0.088569|0.059877|0.062843|0.048220|0.050465|0.057741|0.057052|0.082305|0.086710|0.110964|0.192260|0.161378|0.097083|0.101317|0.115287|0.124268|0.107871|0.217163|0.500000| |2.281094|2.116705|2.213756|1.936944|2.417255|2.521602|1.568250|0.042622|1.462042|1.317063|9.365821|2.236171|2.254370|1.499036|1.836593|2.602398|3.708757|2.834746|20.477820|4.885920|4.485057|3.826363|4.720354|6.883519|6.982497|4.754215|3.839799|12.354627|17.613388|8.714897|5.749813|5.963359|7.904440|0.066082|0.057676|0.069670|0.041473|0.040630|0.035112|0.035231|0.042107|0.042516|0.048700|0.047366|0.054788|0.069758|0.080424|0.070125|0.076344|0.091470|0.116688|0.228902|0.117769|0.088964|0.500000| |1.967105|1.876742|1.993649|1.783268|2.215098|2.269549|1.454294|0.039963|1.356924|1.231596|8.755276|2.083185|2.129243|1.387491|1.731507|2.334993|3.377709|2.517779|19.535354|4.771802|4.365936|3.616795|4.463306|6.494454|6.570199|4.487514|3.630214|12.305154|17.535160|8.753876|6.572547|6.460761|8.373233|0.056649|0.050000|0.059006|0.038138|0.037895|0.032770|0.033211|0.039127|0.038969|0.046157|0.044948|0.052036|0.063993|0.069885|0.062159|0.069488|0.078096|0.111872|0.226846|0.112551|0.084770|0.301275|0.500000| |2.012968|1.852146|1.901098|1.684545|2.136733|2.239418|1.403158|0.038032|1.335616|1.209278|8.492545|2.040410|2.037666|1.337561|1.596595|2.171610|2.961354|2.204115|16.075477|3.774213|3.706643|2.839406|3.144711|4.010607|4.680990|3.806969|3.045844|9.167854|8.846151|17.570176|8.838594|6.618011|8.655232|0.059450|0.051857|0.059817|0.038083|0.037347|0.032530|0.032410|0.037156|0.038024|0.042119|0.041945|0.047093|0.059393|0.066946|0.056353|0.058666|0.068891|0.078529|0.116764|0.106218|0.075027|0.223145|0.174911|0.500000| |1.762926|1.654267|1.713487|1.542683|1.954463|2.023707|1.296110|0.035391|1.229547|1.122810|7.932528|1.905517|1.919030|1.241748|1.484739|1.946542|2.714915|2.024159|15.065702|3.632330|3.477462|2.624305|2.972181|3.785707|4.160784|3.329247|2.737996|7.912081|8.732631|17.604879|8.673373|5.721764|7.601972|0.051262|0.045627|0.052267|0.034810|0.034357|0.030157|0.030241|0.034716|0.035097|0.039528|0.039047|0.043897|0.053466|0.058625|0.051593|0.055069|0.062256|0.076042|0.116316|0.091071|0.067481|0.193216|0.220413|0.301869|0.500000| |1.802298|1.696906|1.764958|1.588395|2.006118|2.072876|1.328265|0.036302|1.276311|1.157957|8.038126|1.920899|1.940113|1.252045|1.531356|2.014219|2.710928|1.944147|15.098112|3.505492|3.622495|2.636891|2.773504|3.404111|4.232298|3.780256|2.967810|8.136515|5.715765|8.615479|17.621952|8.888280|12.693051|0.053669|0.046477|0.052203|0.036159|0.036098|0.031150|0.031289|0.034643|0.035276|0.040168|0.040783|0.045417|0.056799|0.060925|0.049843|0.051837|0.058952|0.068485|0.093736|0.114897|0.075489|0.128289|0.134258|0.218731|0.189857|0.500000| 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