Version2.1 2021-01-15T03:23:56Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc2=C([C@H]([NH+]=c2c1)C(=O)NCCC[NH+]3C[C@@H](C[C@@H](C3)C)C)Sc4ccc(cc4)Cl C63530695 RHF 6-31G(d) (6D,7F) Cc1ccc2=C([C@H]([NH+]=c2c1)C(=O)NCCC[NH+]3C[C@@H](C[C@@H](C3)C)C)Sc4ccc(cc4)Cl C01[X(C26H34Cl1N3O1S1)] 192 C1 556 C[C@@H]1C[NH+](CCCNC(=O)[C@H]2[NH+]=c3c(=C2Sc2ccc(cc2)Cl)ccc(c3)C)C[C@@H](C1)C C[C@@H]1C[NH+](CCCNC(=O)[C@H]2[NH+]=c3c(=C2Sc2ccc(cc2)Cl)ccc(c3)C)C[C@@H](C1)C C[C@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2[NH+]=C3C=C(C)C=CC3=C2Sc4ccc(Cl)cc4)C1 InChIKey=FQSFGACZPJAEAI-GLDPYIMESA-P InChI=1S/C26H32ClN3OS/c1-17-5-10-22-23(14-17)29-24(25(22)32-21-8-6-20(27)7-9-21)26(31)28-11-4-12-30-15-18(2)13-19(3)16-30/h5-10,14,18-19,24H,4,11-13,15-16H2,1-3H3,(H,28,31)/p+2/t18-,19+,24-/m0/s1 InChI=1/C26H32ClN3OS/c1-17-5-10-22-23(14-17)29-24(25(22)32-21-8-6-20(27)7-9-21)26(31)28-11-4-12-30-15-18(2)13-19(3)16-30/h5-10,14,18-19,24H,4,11-13,15-16H2,1-3H3,(H,28,31)/p+2/t18-,19+,24-/m0/s1/fC26H34ClN3OS/h28-30H/q+2 Cc1ccc2=C([C@H]([NH+]=c2c1)C(=O)NCCC[NH+]3C[C@@H](C[C@@H](C3)C)C)Sc4ccc(cc4)Cl C01[X(C26H34Cl1N3O1S1)] 192 C01 556 C[C@@H]1C[NH+](CCCNC(=O)[C@H]2[NH+]=c3c(=C2Sc2ccc(cc2)Cl)ccc(c3)C)C[C@@H](C1)C C[C@@H]1C[C@H](C)C[NH](C1)CCCNC(=O)[C@H]1N[C]2[C]([C]1S[C]1[CH][CH][C]([CH][CH]1)Cl)[CH]=[CH][C]([CH]2)C C[C]1[CH][C]2N[C@@H]([C](S[C]3[CH][CH][C](Cl)[CH][CH]3)[C]2C=C1)C(=O)NCCC[NH]4C[C@H](C)C[C@H](C)C4 InChIKey=NAIAIZGATXNBRZ-GLDPYIMESA-N InChI=1S/C26H34ClN3OS/c1-17-5-10-22-23(14-17)29-24(25(22)32-21-8-6-20(27)7-9-21)26(31)28-11-4-12-30-15-18(2)13-19(3)16-30/h5-10,14,18-19,24,29-30H,4,11-13,15-16H2,1-3H3,(H,28,31)/t18-,19+,24-/m0/s1 InChI=1/C26H34ClN3OS/c1-17-5-10-22-23(14-17)29-24(25(22)32-21-8-6-20(27)7-9-21)26(31)28-11-4-12-30-15-18(2)13-19(3)16-30/h5-10,14,18-19,24,29-30H,4,11-13,15-16H2,1-3H3,(H,28,31)/t18-,19+,24-/m0/s1/f/h28H 3468.2311243447 -2099.1405904 1-A 24256.3277 125 431 556 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.98956 -92.18030 -20.74620 -15.91190 -15.82866 -15.80699 -11.57494 -11.53907 -11.53557 -11.52664 -11.51169 -11.49567 -11.49431 -11.48575 -11.48359 -11.48195 -11.46557 -11.45767 -11.45636 -11.45514 -11.44094 -11.43948 -11.43616 -11.43382 -11.43182 -11.42903 -11.42784 -11.42749 -11.41054 -11.40092 -11.39370 -11.38930 -10.72296 -9.18892 -8.19235 -8.18882 -8.18877 -6.87169 -6.86997 -6.86857 -1.61969 -1.55245 -1.53465 -1.45713 -1.38015 -1.36441 -1.33959 -1.32378 -1.30315 -1.28438 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1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 15444.3193 29405.1238 42595.7434 0.99998 0.00476 0.00340 -0.00476 0.99999 -0.00085 -0.00341 0.00084 0.99999 1 0.00561 0.00295 0.00203 0.11685 0.06138 0.04237 10.70 16.29 27.86 30.46 44.85 59.26 70.16 93.36 96.93 122.99 145.84 152.16 173.27 178.02 202.37 218.25 226.73 231.45 279.60 286.35 295.41 337.90 350.90 358.22 373.99 382.33 384.67 413.82 439.57 447.04 504.75 516.06 544.70 559.08 568.61 619.83 632.51 648.84 653.52 661.09 673.33 689.29 696.53 698.41 719.31 764.31 780.81 813.59 822.76 853.01 866.23 890.41 937.39 962.60 991.59 1128.77 1133.60 1149.10 1172.20 1181.87 1209.68 1247.44 1272.45 1296.49 1303.64 1329.22 1334.44 1345.17 1366.87 1367.98 1372.11 1392.40 1401.20 1450.01 1465.92 1487.22 1509.61 1511.31 1523.12 1555.85 1567.19 1576.90 1596.34 1602.42 1604.34 1604.83 1616.04 1617.96 1641.38 1652.69 1672.99 1678.36 1693.35 1710.96 1727.85 1737.29 1754.20 1759.45 1783.30 1804.73 1812.91 1821.15 1846.65 1858.86 1876.39 1881.25 1887.28 1903.83 1928.15 1952.89 1968.88 2033.58 2055.43 2056.84 2071.22 2081.23 2092.36 2107.07 2111.91 2135.40 2143.22 2148.40 2172.92 2183.06 2198.77 2205.35 2218.36 2224.18 2234.12 2241.91 2252.69 2258.03 2262.36 2265.55 2273.32 2291.55 2299.14 2316.78 2323.67 2337.76 2343.84 2347.08 2354.54 2359.65 2360.81 2363.18 2365.49 2368.48 2373.99 2382.82 2391.64 2450.77 2465.61 2495.54 2516.44 2561.27 2614.77 2836.40 4571.39 4579.02 4611.43 4624.03 4626.70 4626.74 4627.37 4679.78 4690.56 4699.57 4700.39 4708.60 4710.41 4714.68 4716.52 4720.60 4738.85 4747.53 4748.68 4759.72 4780.30 4780.46 4791.42 4811.82 4872.21 4883.75 4885.92 4887.71 4907.49 4907.65 4908.87 5304.63 5578.19 5584.70 0.606767 0.637155 0.638099 0.539771 -2098.533823 -2098.503435 -2098.502491 -2098.600819 3.297937D-04 MUNgauss RevisionA2.0 retrievium 15-Jan-2021 DUDE Cc1ccc2=C([C@H]([NH+]=c2c1)C(=O)NCCC[NH+]3C[C@@H](C[C@@H](C3)C)C)Sc4ccc(cc4)Cl C63530695 RHF 6-31G(d) (6D,10F) C1 471.211112 |X|Y|Z| 125.417434 87.888286 28.325901 67.840787 27 6 7 16 23 3 1 |36.858105| |12.694193|36.858105| |7.551959|13.150005|36.858105| |5.052321|7.820889|14.190997|36.858105| |4.445952|6.838242|7.971952|13.254197|36.858105| |3.386537|4.618424|5.133027|7.429082|13.964514|36.858105| |3.143053|4.115941|4.086756|5.056092|8.130165|12.552701|36.858105| |2.844301|3.598580|3.573680|4.306791|6.231382|8.886190|17.579945|0.500000| |3.843140|5.218413|4.652766|5.292296|8.432044|8.261570|13.146437|0.252951|53.358707| |3.629330|4.621783|3.953977|4.239480|5.922848|5.822760|8.794893|0.207860|26.044097|0.500000| |5.055764|8.028038|6.853452|7.695881|13.311994|8.412432|8.288086|0.175523|19.474308|0.256053|36.858105| |7.620432|13.899996|7.746781|6.649782|7.715556|5.305135|5.193402|0.122572|10.520364|0.189616|13.606053|36.858105| |2.713268|3.381678|3.352914|3.984865|5.537716|7.477495|12.334783|0.241291|10.607355|0.185136|5.642362|4.100811|36.858105| |2.740570|3.397506|3.419042|4.047178|5.350572|6.633956|7.982950|0.162667|8.583348|0.150750|5.255279|3.993757|15.946151|73.516695| |2.344085|2.810204|2.748891|3.152003|4.089958|5.169214|7.784886|0.206037|7.884392|0.156970|4.281573|3.358341|14.129907|15.087523|53.358707| |2.054136|2.393469|2.354207|2.646963|3.242346|3.891782|4.991814|0.132318|5.632568|0.114408|3.337509|2.770798|7.819114|12.208940|17.821945|36.858105| |2.044205|2.337916|2.246900|2.452051|2.939839|3.314509|4.137667|0.106675|5.201309|0.110128|3.144153|2.716111|5.933764|10.433793|10.420019|12.419659|36.858105| |1.782590|1.997924|1.942160|2.100566|2.430861|2.699713|3.163679|0.083142|4.000447|0.083623|2.537960|2.254539|4.186348|7.694685|6.796360|7.604984|12.460166|36.858105| |1.710716|1.881491|1.806937|1.914677|2.175119|2.339752|2.692302|0.070658|3.556678|0.075477|2.304806|2.109739|3.365698|6.253030|5.162953|4.923862|7.503748|12.682928|53.358707| |1.731711|1.897050|1.800634|1.894907|2.161332|2.309042|2.697789|0.071418|3.629585|0.078578|2.329405|2.146485|3.308105|5.974584|5.147488|4.708883|7.238280|9.312111|25.694227|0.500000| |1.805062|1.974324|1.889656|1.983474|2.228563|2.347169|2.643592|0.067759|3.572110|0.075210|2.367804|2.199097|3.273545|6.375231|4.700540|4.190208|6.037145|7.577667|17.195140|0.258648|36.858105| |1.689780|1.810354|1.718914|1.773695|1.958460|2.022848|2.247198|0.058229|3.103862|0.065933|2.094341|1.995923|2.655745|5.070408|3.772014|3.190904|4.230814|4.930929|10.333162|0.198543|12.463859|36.858105| |1.719605|1.834662|1.721522|1.765664|1.958409|2.012503|2.264146|0.059014|3.175587|0.068571|2.126710|2.040827|2.641561|4.938521|3.787905|3.141742|4.199521|4.624646|9.447713|0.213476|8.940435|17.482724|0.500000| |1.490723|1.589046|1.524265|1.576593|1.725424|1.793575|1.971509|0.051864|2.682332|0.056628|1.819062|1.732434|2.300583|4.331792|3.308821|2.824068|3.551295|4.378439|8.845654|0.165549|7.582347|12.443108|0.246937|36.858105| |1.434089|1.537407|1.478453|1.540379|1.699138|1.789784|1.990576|0.053116|2.672804|0.056659|1.788000|1.685239|2.331468|4.292038|3.459205|3.022658|3.790215|4.953538|10.319504|0.198531|6.477693|7.504718|0.189620|12.443740|36.858105| |1.446989|1.546686|1.475267|1.530384|1.693782|1.777693|1.996708|0.053590|2.708953|0.058102|1.801684|1.705640|2.315014|4.196456|3.463978|2.976450|3.757605|4.642142|9.432229|0.213327|5.740157|6.824821|0.203450|8.890442|17.484159|0.500000| |1.507596|1.639687|1.588029|1.677068|1.872667|2.008692|2.257385|0.060196|2.965015|0.062449|1.956188|1.808772|2.725947|5.021313|4.143691|3.836914|4.947425|7.662895|17.167845|0.259138|7.666890|6.482858|0.159662|7.585352|12.471724|0.248542|36.858105| |1.287960|1.373044|1.330074|1.384973|1.512295|1.592942|1.747230|0.047043|2.330912|0.049078|1.574565|1.489101|2.011722|3.683416|2.970439|2.558621|3.019013|3.822948|6.730316|0.129952|4.383656|4.877271|0.125440|7.486256|12.444597|0.247683|7.625320|36.858105| |1.739776|1.843728|1.749165|1.784845|1.939893|1.967314|2.138013|0.054819|2.993336|0.062989|2.069473|2.005983|2.479485|4.828023|3.395086|2.770238|3.487313|3.801013|6.736255|0.129940|7.624753|12.445921|0.247653|7.489152|4.878165|0.125457|4.385132|3.745670|36.858105| |2.750581|3.494036|4.087673|5.725551|6.967053|11.069043|6.572820|0.166884|6.495624|0.107508|4.843468|3.680456|5.458001|9.227993|5.834250|3.513213|2.916190|2.493483|2.919257|0.057939|2.133570|1.843269|0.050318|1.669326|1.675145|0.045765|1.888460|1.515167|1.791979|388.023441| |2.272507|2.767315|3.028272|3.814424|4.644801|6.854131|6.081948|0.174970|5.706967|0.100155|3.834149|3.004707|5.813791|9.100410|6.973611|4.230953|3.246298|2.786367|3.153126|0.062327|2.229069|1.900624|0.051818|1.742500|1.784753|0.048690|2.051614|1.619897|1.805215|75.894706|36.858105| |2.063470|2.461385|2.661330|3.245124|3.820427|5.164156|4.914093|0.134312|4.906073|0.088731|3.287766|2.658716|5.542361|9.394026|6.991186|4.718557|3.519934|3.112858|3.435341|0.066549|2.414043|2.024898|0.054458|1.869632|1.921751|0.051779|2.247749|1.747514|1.911368|49.377265|13.713557|36.858105| |1.819746|2.122811|2.248950|2.647961|3.059059|3.897062|3.977296|0.113766|4.173349|0.078346|2.759608|2.296684|4.548948|7.556749|6.462406|4.737218|3.473710|3.192535|3.476773|0.067216|2.372385|1.994704|0.053644|1.875510|1.965152|0.052873|2.324031|1.806834|1.853187|33.565798|7.937192|13.762199|36.858105| |1.747951|2.025374|2.124317|2.472227|2.854990|3.587614|3.768815|0.114668|4.007058|0.076444|2.623837|2.200329|4.050845|6.405918|6.033634|4.260294|3.175974|2.903557|3.218188|0.063440|2.165092|1.851822|0.050449|1.752105|1.855893|0.050551|2.171486|1.717726|1.710940|29.834669|6.907085|7.962045|13.748899|36.858105| |1.865755|2.180460|2.292466|2.691317|3.142802|4.013397|4.197386|0.135900|4.387799|0.082998|2.866636|2.377402|4.125993|6.278985|5.976978|3.868060|2.957393|2.624013|2.973924|0.059569|2.023123|1.751155|0.048207|1.642725|1.727863|0.047556|1.988269|1.593154|1.629969|33.451755|7.929288|6.846462|7.893029|13.735672|36.858105| |2.129463|2.549954|2.732472|3.323880|3.981915|5.433738|5.330081|0.175063|5.251700|0.095424|3.466961|2.782212|4.809967|7.206363|6.366985|3.849278|2.980312|2.575762|2.944323|0.059024|2.046557|1.769725|0.048742|1.637357|1.696580|0.046708|1.937965|1.550843|1.667674|49.038624|13.695461|7.903031|6.854965|7.967582|13.770718|36.858105| |1.521349|1.725745|1.786443|2.022954|2.283870|2.729025|2.902862|0.087502|3.272189|0.064156|2.158190|1.864833|3.136905|5.081327|4.815832|3.638313|2.856232|2.742363|3.083948|0.060921|2.035047|1.764223|0.048106|1.705355|1.838297|0.050092|2.148542|1.733377|1.614183|21.607234|4.245566|4.783754|7.066775|11.017491|7.063429|4.784874|448.794386| |17.551737|8.943071|6.830215|4.684309|4.011706|3.126098|2.872384|0.071755|4.632357|0.089056|4.346042|5.933206|2.559097|4.701356|3.009795|1.970897|1.975470|1.742380|2.289459|0.047015|1.794572|1.687252|0.047397|1.488563|1.420305|0.039620|1.487663|1.277758|1.759144|18.575213|2.159944|1.991572|1.756774|1.672430|1.765093|2.002291|11.731477|0.500000| |17.551026|8.945616|6.822855|4.686419|4.016747|3.133722|2.878764|0.074098|4.642564|0.089600|4.351413|5.942678|2.467185|4.378041|2.940816|1.898234|1.870763|1.644667|2.144179|0.044293|1.647280|1.546821|0.043705|1.378871|1.334025|0.037403|1.401152|1.206816|1.584618|18.654412|2.172598|1.959574|1.737318|1.683056|1.808964|2.062633|11.803592|0.302652|0.500000| |17.625549|8.843893|5.529750|4.157567|3.943599|3.121960|3.030832|0.076819|5.163551|0.103624|4.748068|7.274404|2.649535|4.719315|3.166330|2.045091|2.064407|1.796570|2.369342|0.049352|1.837663|1.735113|0.049495|1.524264|1.465014|0.041313|1.530396|1.311411|1.785982|17.943792|2.146140|1.962648|1.750923|1.691064|1.800313|2.030977|11.918798|0.300348|0.300472|0.500000| |7.121210|8.775402|17.744162|9.064718|5.639866|4.106212|3.346071|0.083408|5.017328|0.089971|4.945640|5.593624|2.848707|5.204925|3.258452|2.095657|2.010635|1.768925|2.257489|0.045804|1.738735|1.596848|0.044302|1.426902|1.380353|0.038187|1.473461|1.250543|1.635722|25.262542|2.692740|2.402701|2.054796|1.944016|2.084689|2.449892|13.282603|0.197556|0.196882|0.141719|0.500000| |4.113056|5.571511|9.031809|17.741318|8.718156|6.566450|4.408098|0.107766|5.835001|0.098181|5.520239|4.836848|3.630925|6.625265|3.984680|2.508530|2.297992|2.002669|2.475555|0.049648|1.878228|1.679697|0.046135|1.508056|1.476181|0.040534|1.610154|1.337329|1.690406|44.223294|3.936711|3.350865|2.706457|2.507723|2.721613|3.379514|16.399431|0.110039|0.110056|0.095753|0.216579|0.500000| |6.988726|8.923211|5.537114|4.837375|5.530867|4.308424|4.555419|0.111297|9.294514|0.194097|8.828994|17.747509|3.776355|6.479183|4.387891|2.694584|2.709817|2.248505|2.909017|0.061161|2.229141|2.048844|0.058943|1.768760|1.718674|0.048730|1.827718|1.512489|2.057623|22.276298|2.687266|2.418669|2.135326|2.063807|2.216481|2.534705|14.280880|0.151899|0.152261|0.221067|0.123144|0.105583|0.500000| |2.268344|2.703396|2.641482|3.017965|3.888383|4.917018|7.434480|0.234941|7.522361|0.153215|4.075256|3.223318|9.397879|10.891080|26.056521|9.044418|5.947347|4.258367|4.562987|0.094586|3.012846|2.495045|0.070336|2.228266|2.356076|0.066208|2.782017|2.053934|2.247116|29.557765|5.164261|4.894694|4.709749|4.763035|4.965120|5.162254|30.518136|0.058879|0.058780|0.062681|0.064139|0.078132|0.086460|0.500000| |1.879054|2.162207|2.130209|2.378494|2.861441|3.407839|4.268808|0.120259|4.875360|0.100382|2.932325|2.477045|5.827451|8.955194|12.630826|17.603458|8.803715|6.902239|6.259127|0.124607|3.731284|2.945549|0.081257|2.696094|2.979269|0.082178|3.799997|2.572782|2.529047|22.612779|3.959041|4.400019|4.787970|4.577158|4.061775|3.808353|33.165510|0.049966|0.048746|0.052094|0.053167|0.063160|0.067369|0.236693|0.500000| |2.009722|2.344770|2.355519|2.680257|3.233063|3.926196|4.684763|0.121272|5.176453|0.101442|3.198807|2.657436|7.299108|12.999547|12.500797|17.601346|8.833478|7.024902|6.252836|0.116127|4.081590|3.085762|0.082083|2.765220|2.914242|0.077759|3.714512|2.505973|2.733641|26.559107|4.578716|5.576274|5.568786|4.573216|3.951594|3.947617|30.583913|0.054085|0.051671|0.054976|0.058611|0.071766|0.070633|0.189216|0.302525|0.500000| |2.234683|2.573484|2.457899|2.674025|3.220002|3.560454|4.396656|0.107844|5.708799|0.119640|3.484335|3.010028|6.457951|12.625994|9.609776|8.915056|17.618560|8.785439|9.122156|0.176328|6.558377|4.480399|0.121949|3.566896|3.586079|0.097870|4.446732|2.848365|3.854375|21.666283|3.241275|3.476537|3.283501|2.947803|2.788563|2.898947|20.844050|0.060326|0.056087|0.062650|0.060711|0.068921|0.083215|0.148035|0.174172|0.212188|0.500000| |2.040099|2.313264|2.184660|2.351656|2.818868|3.122474|3.979120|0.105416|5.214229|0.115406|3.102400|2.719875|5.271105|8.710093|9.447891|8.849801|17.525927|8.824459|9.384381|0.217030|5.416562|4.123323|0.120369|3.463173|3.766663|0.108746|4.690845|2.986488|3.356071|19.198812|2.976025|3.113361|3.092450|2.940760|2.811683|2.821790|21.607480|0.054308|0.051948|0.057923|0.054278|0.060696|0.076976|0.164374|0.213210|0.173681|0.301354|0.500000| |1.660803|1.853519|1.808457|1.957405|2.254924|2.520396|2.947409|0.079683|3.687329|0.077267|2.339510|2.081572|3.773946|6.656996|6.343957|7.021934|8.834052|17.612600|12.447467|0.217796|5.598770|4.152176|0.111007|3.957093|4.792060|0.127000|7.510390|3.892990|3.244572|16.844242|2.710706|3.031467|3.229262|3.011117|2.686846|2.566252|23.686517|0.044920|0.042928|0.046488|0.045947|0.052143|0.057697|0.116284|0.209691|0.176488|0.173064|0.210251|0.500000| |1.757939|1.973448|1.945589|2.117868|2.426191|2.704487|3.070928|0.079787|3.825365|0.078144|2.477163|2.196582|4.081051|7.870386|6.273798|6.830129|8.764977|17.614287|12.430685|0.182179|7.177430|4.650120|0.115092|4.225431|4.553500|0.113106|6.842818|3.669752|3.770763|18.194000|2.856622|3.291187|3.367200|2.958017|2.622181|2.583001|22.271196|0.048092|0.045084|0.048793|0.049449|0.056663|0.060097|0.108277|0.167241|0.207133|0.211242|0.172665|0.302223|0.500000| |1.753996|1.922128|1.867005|1.972282|2.195866|2.324369|2.560991|0.065426|3.399379|0.070210|2.284661|2.112636|3.182215|6.352322|4.485974|4.034060|5.366312|7.003902|12.425648|0.182027|17.596392|8.769263|0.173733|6.823866|5.750800|0.133588|7.052366|4.242020|6.890028|15.334404|2.254912|2.487043|2.444615|2.193105|2.023866|2.045885|16.538704|0.048757|0.044583|0.049135|0.047962|0.052405|0.058701|0.079628|0.099605|0.115231|0.162227|0.127079|0.146705|0.219465|0.500000| |2.009666|2.217833|2.102194|2.205558|2.508713|2.626434|2.998066|0.075385|4.118524|0.087114|2.707933|2.505152|3.773795|7.491198|5.294617|4.579848|6.901907|7.096078|12.330952|0.222620|17.653430|8.790251|0.215383|5.506424|4.863631|0.128529|5.599078|3.545337|6.932649|16.550372|2.395761|2.564171|2.466661|2.243872|2.122039|2.180519|16.577697|0.055393|0.050440|0.056975|0.053228|0.057370|0.070745|0.092197|0.108453|0.121734|0.240135|0.170625|0.143171|0.182752|0.301274|0.500000| |1.452840|1.549964|1.500617|1.557010|1.692800|1.762805|1.912235|0.050168|2.577791|0.053808|1.763026|1.675315|2.234478|4.258940|3.179053|2.721338|3.325986|4.143950|7.704899|0.136068|6.790292|8.842522|0.173974|17.503687|8.840970|0.173967|6.788143|6.938668|6.941759|11.810398|1.732223|1.876337|1.882986|1.742759|1.622318|1.616854|13.624871|0.040498|0.037387|0.041001|0.039174|0.041639|0.047114|0.059292|0.071950|0.075856|0.093556|0.087485|0.104035|0.117669|0.199690|0.139271|0.500000| |1.427697|1.506834|1.440230|1.477939|1.605261|1.654116|1.807993|0.047752|2.483287|0.052588|1.697263|1.634651|2.070259|3.870792|2.957445|2.464540|3.021701|3.550013|6.644182|0.132558|5.522390|8.856974|0.215932|17.576534|8.858574|0.216020|5.524504|6.820109|6.823546|10.944821|1.594990|1.695483|1.697842|1.598976|1.510893|1.507977|12.535064|0.039662|0.036769|0.040709|0.037621|0.039259|0.046602|0.055942|0.065819|0.066769|0.084628|0.083532|0.091324|0.094820|0.139527|0.123501|0.303696|0.500000| |1.456777|1.586723|1.539308|1.631077|1.826896|1.975339|2.234063|0.060485|2.907424|0.061397|1.904687|1.753054|2.678517|4.816799|4.175491|3.895362|4.801501|7.239141|12.360513|0.224216|5.606396|4.870261|0.128868|5.504152|8.780635|0.215765|17.622210|6.908546|3.547676|13.284679|2.062615|2.257745|2.379023|2.257799|2.057567|1.975575|18.304099|0.039720|0.037803|0.041066|0.039660|0.043581|0.049189|0.079382|0.112475|0.102922|0.114164|0.130411|0.237954|0.171258|0.144530|0.126494|0.139027|0.123470|0.500000| |1.478749|1.610932|1.575996|1.671916|1.855053|1.996429|2.207646|0.058597|2.867009|0.059557|1.910495|1.761461|2.675791|5.017007|3.998820|3.720005|4.563220|7.074708|12.401351|0.182090|7.033951|5.737424|0.133437|6.805676|8.763180|0.173724|17.595722|6.895992|4.232393|13.554277|2.073556|2.308404|2.393529|2.201030|1.990218|1.938865|17.491401|0.040731|0.038222|0.041423|0.040761|0.044914|0.048996|0.074113|0.101365|0.104697|0.116897|0.114325|0.188514|0.207430|0.214013|0.144247|0.198933|0.139285|0.301011|0.500000| |1.242762|1.314861|1.269664|1.313276|1.425411|1.488916|1.625388|0.043781|2.188990|0.046197|1.488650|1.420740|1.846514|3.377233|2.699772|2.275501|2.662317|3.223745|5.566852|0.111290|3.830571|4.515417|0.119601|6.851547|8.829246|0.214165|5.531650|17.589863|3.632927|10.047693|1.496699|1.600579|1.644716|1.570975|1.469857|1.437020|12.699610|0.034305|0.032385|0.035254|0.033272|0.035196|0.040248|0.052130|0.063296|0.061741|0.070853|0.074055|0.090084|0.085950|0.101997|0.088625|0.172924|0.204218|0.141399|0.140598|0.500000| |1.250910|1.335893|1.295933|1.353260|1.481231|1.568879|1.727254|0.046936|2.290398|0.048291|1.539870|1.450838|1.981095|3.580742|2.963449|2.558389|2.961188|3.735220|6.234621|0.123434|3.840065|4.045036|0.107998|5.455354|8.747545|0.213511|6.939790|17.563300|3.170232|10.655619|1.618415|1.745005|1.825083|1.752528|1.621466|1.563305|14.401671|0.034333|0.032677|0.035363|0.033827|0.036346|0.040910|0.057534|0.073010|0.069119|0.075930|0.082278|0.110716|0.098049|0.102677|0.089063|0.140849|0.140109|0.206642|0.170711|0.302422|0.500000| |1.264330|1.349301|1.316239|1.374315|1.493656|1.575933|1.711172|0.045930|2.267105|0.047323|1.541002|1.454516|1.974537|3.650652|2.888899|2.495866|2.891843|3.689956|6.214403|0.114573|4.212972|4.519004|0.111126|6.770590|8.762280|0.173436|6.873213|17.552594|3.645319|10.764639|1.618313|1.761097|1.823265|1.718162|1.582123|1.539956|13.929370|0.034971|0.032934|0.035587|0.034470|0.037048|0.040781|0.055257|0.069357|0.069304|0.076505|0.077538|0.103465|0.102862|0.120182|0.094573|0.205626|0.166772|0.168526|0.203950|0.302021|0.300932|0.500000| |1.920526|2.035831|1.912329|1.939206|2.112169|2.117635|2.304705|0.058410|3.282862|0.069250|2.280094|2.226891|2.665236|5.241911|3.580900|2.857303|3.605203|3.707193|6.239855|0.123395|6.937724|8.746572|0.213463|5.455878|4.044919|0.107987|3.840807|3.169877|17.558383|13.495050|1.884590|1.977032|1.890500|1.742754|1.674566|1.732191|13.030001|0.054080|0.048125|0.054993|0.049454|0.050583|0.063781|0.065391|0.071273|0.077885|0.115050|0.096716|0.086913|0.101446|0.170333|0.207395|0.140879|0.140139|0.089143|0.102469|0.085151|0.077035|0.085405|0.500000| |1.643483|1.720061|1.627117|1.646819|1.774328|1.787496|1.932404|0.049969|2.721973|0.057491|1.895232|1.858920|2.196026|4.213496|3.013087|2.423362|2.973435|3.210459|5.570643|0.111290|5.530602|8.828486|0.214075|6.855070|4.517043|0.119647|3.832288|3.633302|17.589874|11.619838|1.642064|1.726054|1.680094|1.565702|1.499154|1.530255|11.947985|0.046219|0.041769|0.047077|0.042527|0.043381|0.053276|0.056207|0.062434|0.066110|0.089297|0.081229|0.078696|0.087645|0.140572|0.141667|0.173012|0.204384|0.088681|0.101815|0.102249|0.085167|0.097167|0.302349|0.500000| |1.689473|1.794307|1.724226|1.767984|1.906994|1.940502|2.077806|0.053169|2.870266|0.059574|2.001848|1.931107|2.416757|4.771637|3.279391|2.693097|3.300023|3.669604|6.218368|0.114553|6.875629|8.762789|0.173424|6.772518|4.519343|0.111132|4.212955|3.645238|17.552476|12.751987|1.805154|1.931043|1.871318|1.711202|1.618456|1.655375|12.960216|0.047735|0.042858|0.047739|0.045002|0.046895|0.054376|0.060140|0.068228|0.075603|0.101209|0.085811|0.087231|0.105765|0.203849|0.169286|0.205725|0.166844|0.094566|0.119854|0.097158|0.085411|0.102986|0.300941|0.302077|0.500000| |2.102137|2.506176|2.734381|3.337383|3.851471|5.030267|4.607183|0.118695|4.775311|0.085976|3.280838|2.677587|5.413749|10.202624|6.470929|4.554063|3.544068|3.179935|3.529042|0.067444|2.535363|2.111369|0.056158|1.940093|1.967969|0.052547|2.301660|1.784512|2.015139|47.217158|8.897626|17.741083|8.928697|5.658018|4.940158|5.629824|31.667727|0.057034|0.055051|0.055282|0.068862|0.096595|0.067342|0.119637|0.113435|0.156381|0.100162|0.085273|0.084033|0.096031|0.073762|0.075023|0.054563|0.048699|0.063262|0.066465|0.045380|0.049059|0.050309|0.058037|0.050238|0.057127|0.500000| |1.700165|1.959073|2.065337|2.392817|2.714033|3.332428|3.408683|0.095357|3.721488|0.070797|2.483525|2.106695|4.003284|6.953776|5.753315|4.570320|3.453338|3.328185|3.603402|0.068577|2.447327|2.048761|0.054527|1.949131|2.050452|0.054562|2.449921|1.899609|1.896490|27.756733|5.642423|8.908014|17.750497|8.920083|5.632052|4.945744|53.977262|0.045954|0.045007|0.045591|0.052874|0.067942|0.054847|0.113347|0.129591|0.155369|0.090060|0.084127|0.094339|0.100265|0.071145|0.069564|0.054866|0.048768|0.069734|0.071273|0.047729|0.053345|0.053746|0.053223|0.047664|0.053650|0.214783|0.500000| 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