Version2.0 2020-07-25T17:04:31Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc2c(cc1C)sc(n2)N(C[C@@H]3CCCO3)C(=O)c4ccc(cc4)S(=O)(=O)N5CCC[C@@H](C5)C C10526513 RHF 6-31G(d) (6D,7F) Cc1cc2c(cc1C)sc(n2)N(C[C@@H]3CCCO3)C(=O)c4ccc(cc4)S(=O)(=O)N5CCC[C@@H](C5)C C01[X(C27H33N3O4S2)] 201 C1 614 C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N(c1sc2c(n1)cc(c(c2)C)C)C[C@@H]1CCCO1 C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N(c1sc2c(n1)cc(c(c2)C)C)C[C@@H]1CCCO1 C[C@H]1CCCN(C1)[S](=O)(=O)c2ccc(cc2)C(=O)N(C[C@@H]3CCCO3)c4sc5cc(C)c(C)cc5n4 InChIKey=VEULATHKSKNKSA-AVRDEDQJSA-N InChI=1S/C27H33N3O4S2/c1-18-6-4-12-29(16-18)36(32,33)23-10-8-21(9-11-23)26(31)30(17-22-7-5-13-34-22)27-28-24-14-19(2)20(3)15-25(24)35-27/h8-11,14-15,18,22H,4-7,12-13,16-17H2,1-3H3/t18-,22-/m0/s1 InChI=1/C27H33N3O4S2/c1-18-6-4-12-29(16-18)36(32,33)23-10-8-21(9-11-23)26(31)30(17-22-7-5-13-34-22)27-28-24-14-19(2)20(3)15-25(24)35-27/h8-11,14-15,18,22H,4-7,12-13,16-17H2,1-3H3/t18-,22-/m0/s1 Cc1cc2c(cc1C)sc(n2)N(C[C@@H]3CCCO3)C(=O)c4ccc(cc4)S(=O)(=O)N5CCC[C@@H](C5)C C01[X(C27H33N3O4S2)] 201 C01 614 C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N(c1sc2c(n1)cc(c(c2)C)C)C[C@@H]1CCCO1 C[C@H]1CCCN(C1)S(=O)(=O)[C]1[CH][CH][C]([CH][CH]1)C(=O)N(C1=N[C]2[C]([CH][C]([C]([CH]2)C)C)S1)C[C@@H]1CCCO1 C[C]1[CH][C]2SC(=N[C]2[CH][C]1C)N(C[C@@H]3CCCO3)C(=O)[C]4[CH][CH][C]([CH][CH]4)[S](=O)(=O)N5CCC[C@H](C)C5 InChIKey=VEULATHKSKNKSA-AVRDEDQJSA-N InChI=1S/C27H33N3O4S2/c1-18-6-4-12-29(16-18)36(32,33)23-10-8-21(9-11-23)26(31)30(17-22-7-5-13-34-22)27-28-24-14-19(2)20(3)15-25(24)35-27/h8-11,14-15,18,22H,4-7,12-13,16-17H2,1-3H3/t18-,22-/m0/s1 InChI=1/C27H33N3O4S2/c1-18-6-4-12-29(16-18)36(32,33)23-10-8-21(9-11-23)26(31)30(17-22-7-5-13-34-22)27-28-24-14-19(2)20(3)15-25(24)35-27/h8-11,14-15,18,22H,4-7,12-13,16-17H2,1-3H3/t18-,22-/m0/s1 4263.7303423038 -2299.4391228 1-A 30600.3939 140 474 614 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.20557 -91.97255 -20.56303 -20.55730 -20.55030 -20.55025 -15.62628 -15.59936 -15.55912 -11.37907 -11.35360 -11.28344 -11.27980 -11.27653 -11.27476 -11.27226 -11.27037 -11.26853 -11.26846 -11.26667 -11.26484 -11.26011 -11.26000 -11.25352 -11.23822 -11.23718 -11.23711 -11.23525 -11.23397 -11.23130 -11.23074 -11.22826 -11.22600 -11.22195 -11.22148 -11.22117 -9.17695 -8.98165 -6.86355 -6.86294 -6.86197 -6.66387 -6.66300 -6.66101 -1.47669 -1.42938 -1.39322 -1.35175 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3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 6 6 6 6 6 6 6 6 16 6 7 7 6 6 1 6 6 6 8 6 8 6 6 6 6 6 6 16 8 8 7 6 6 6 6 1 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8862.1904 47936.4255 52742.0790 0.99994 0.00989 0.00512 -0.00988 0.99995 -0.00214 -0.00514 0.00209 0.99998 1 0.00977 0.00181 0.00164 0.20365 0.03765 0.03422 16.91 22.70 29.65 40.56 48.50 56.38 66.22 74.84 98.12 108.27 113.33 147.62 151.90 183.63 195.93 207.38 213.74 225.00 266.21 277.98 294.95 314.95 328.78 350.80 351.84 378.87 399.16 416.47 436.37 454.38 466.83 475.16 484.53 496.20 531.85 550.96 584.60 602.59 608.31 625.67 651.78 659.88 663.36 678.03 705.85 708.50 733.07 769.11 777.12 800.11 847.97 858.54 918.95 930.74 956.73 965.97 983.06 991.70 1020.36 1035.68 1084.69 1109.57 1127.13 1168.24 1175.18 1178.60 1195.79 1235.65 1248.96 1259.61 1276.72 1331.48 1357.79 1368.28 1389.50 1391.57 1395.31 1400.95 1415.94 1421.31 1433.60 1443.92 1464.21 1511.43 1528.85 1562.04 1562.46 1571.86 1583.45 1591.53 1594.25 1603.39 1610.85 1613.09 1623.27 1660.24 1664.19 1664.87 1671.01 1699.19 1716.20 1722.78 1748.36 1780.38 1802.09 1810.86 1816.52 1824.45 1842.10 1862.08 1871.69 1874.07 1884.64 1894.32 1895.52 1904.55 1914.26 1924.45 1981.50 1989.97 1999.05 2014.99 2031.85 2058.83 2065.56 2091.16 2093.67 2097.31 2108.32 2112.75 2114.40 2139.27 2141.45 2152.45 2197.58 2205.46 2207.10 2231.88 2233.67 2233.85 2245.60 2255.06 2262.44 2266.74 2269.02 2272.10 2338.72 2344.55 2351.72 2354.96 2359.10 2359.30 2360.70 2362.88 2365.47 2367.09 2374.89 2377.29 2378.74 2395.83 2413.65 2422.04 2488.67 2518.94 2535.82 2608.74 2620.15 2817.03 4547.82 4559.21 4578.34 4602.80 4602.82 4602.97 4609.10 4615.96 4623.69 4643.88 4650.42 4659.28 4673.23 4678.80 4685.39 4691.63 4699.53 4701.32 4714.24 4720.70 4725.31 4727.01 4737.26 4773.83 4794.04 4799.96 4844.79 4851.00 4858.59 4860.77 4894.86 4914.18 4917.84 0.614019 0.645903 0.646847 0.546399 -2298.825104 -2298.793220 -2298.792275 -2298.892724 3.369076D-04 MUNgauss RevisionA2.0 retrievium 25-Jul-2020 DUDE Cc1cc2c(cc1C)sc(n2)N(C[C@@H]3CCCO3)C(=O)c4ccc(cc4)S(=O)(=O)N5CCC[C@@H](C5)C C10526513 RHF 6-31G(d) (6D,10F) C1 527.191250 |X|Y|Z| 158.870408 63.388122 36.640163 71.724814 30 6 7 8 16 24 3 1 2 |36.858105| |12.600003|36.858105| |7.616738|13.813359|36.858105| |5.031520|7.930278|13.679363|36.858105| |4.450197|6.880203|7.941561|13.780547|36.858105| |5.008683|7.881469|6.837977|7.898303|13.712994|36.858105| |7.501888|13.471596|7.879374|6.844276|7.955959|13.796614|36.858105| |6.461828|7.494474|5.006804|4.435113|5.039678|7.613340|12.599791|36.858105| |3.170507|4.233657|4.882717|7.423477|10.897574|6.705034|4.671171|3.565229|388.023441| |3.186386|4.152344|5.404292|8.675845|7.816100|4.981647|4.045045|3.086889|76.831536|36.858105| |3.835718|5.144098|7.726469|13.758631|8.155359|5.245340|4.575276|3.356893|52.363102|14.967383|53.358707| |2.625550|3.218423|3.999867|5.415443|4.990950|3.666394|3.121468|2.518213|48.544085|13.650845|11.199907|53.358707| |2.530724|2.991508|3.766084|4.671550|3.989845|3.094528|2.784010|2.281659|33.015841|7.843525|9.614339|17.629752|36.858105| |2.466864|2.865670|3.555735|4.222255|3.622246|2.895327|2.651526|2.198383|28.771814|6.034266|7.971406|10.441705|12.500392|36.858105| |2.777665|3.275044|4.161006|4.969902|4.115696|3.246474|2.986386|2.432948|31.170674|6.556662|9.398689|9.484656|8.897339|17.612740|0.500000| |2.242547|2.503515|3.034428|3.361020|2.888273|2.415562|2.285273|1.941357|21.858739|4.173155|5.855093|6.729210|7.478733|12.363791|0.242416|36.858105| |1.919127|2.125536|2.490452|2.761897|2.486756|2.120666|1.990275|1.724483|19.417891|3.482835|4.616934|5.771807|5.697329|7.913592|0.162672|12.434767|36.858105| |1.933911|2.172858|2.524640|2.864720|2.650313|2.249297|2.073569|1.794386|21.385974|3.743325|4.749521|6.225115|5.520442|8.188068|0.176482|8.061964|12.510300|36.858105| |2.180251|2.518662|2.993682|3.552920|3.271017|2.674396|2.410945|2.039946|27.473130|5.141288|6.203079|9.141914|7.994413|13.466687|0.259458|8.052801|8.192345|13.528898|73.516695| |2.270899|2.729883|3.209330|4.138624|4.177672|3.253131|2.742703|2.286823|43.763539|7.895527|7.264005|18.800429|7.641901|5.776545|0.142815|4.109845|3.917006|4.453117|11.112283|36.858105| |2.244246|2.716634|3.098655|4.001684|4.360207|3.452112|2.825119|2.375657|50.505267|6.939949|6.464519|11.487415|5.339114|4.542841|0.120293|3.386420|3.269742|3.798227|8.965580|15.937588|73.516695| |1.960986|2.282188|2.634439|3.200083|3.165581|2.600699|2.270452|1.945902|29.627658|5.052669|5.408753|10.438658|6.472272|5.077020|0.117918|4.019300|4.157930|4.573415|10.239422|12.654929|14.541182|36.858105| |1.768023|2.027765|2.295968|2.718842|2.720318|2.301870|2.029445|1.770673|24.750628|3.951270|4.419059|7.244854|4.866334|4.437547|0.104524|3.699455|4.141480|4.848721|9.932110|7.664481|11.535964|13.727763|36.858105| |1.583224|1.784637|1.996859|2.302024|2.289827|1.984033|1.779672|1.576282|19.938335|3.128205|3.659814|5.421341|3.887562|3.605068|0.085751|3.254580|3.774265|4.151044|7.669799|5.062614|7.991002|7.938552|13.781602|36.858105| |1.546390|1.731616|1.937748|2.211526|2.178462|1.896242|1.716024|1.523688|18.572719|2.943933|3.511094|5.055954|3.727098|3.304706|0.078705|3.081968|3.484144|3.548339|6.538460|4.467778|6.912069|6.896261|7.957592|13.721186|36.858105| |1.668886|1.880050|2.125678|2.444532|2.384991|2.051227|1.852756|1.629893|20.361174|3.316927|3.941984|5.828992|4.300924|3.532998|0.083745|3.249081|3.481856|3.425283|6.601706|5.027358|7.410450|7.928832|6.856831|7.900320|13.746795|36.858105| |1.890697|2.172107|2.500060|2.964948|2.884789|2.408759|2.140258|1.847780|25.572428|4.358847|4.951086|8.336967|5.787206|4.321884|0.101249|3.705276|3.779060|3.801102|7.916668|7.554927|9.965159|13.733263|7.924980|6.864428|7.963699|13.757178|36.858105| |1.357776|1.495785|1.649716|1.839389|1.812754|1.613575|1.481648|1.336146|14.958503|2.314109|2.846464|3.767727|2.823376|2.598257|0.063457|2.532151|2.875658|2.858137|5.035611|3.153770|5.106300|4.196052|4.726137|6.941915|10.716133|6.949460|4.727314|388.023441| |1.345227|1.471892|1.625702|1.794446|1.748622|1.560528|1.446272|1.305399|14.154164|2.215954|2.775343|3.573577|2.742312|2.488474|0.060865|2.482508|2.766481|2.637820|4.647907|2.877228|4.601327|3.702954|3.844578|4.975525|7.370091|6.501149|4.430492|94.745253|73.516695| |1.298027|1.423414|1.564523|1.734172|1.708233|1.528617|1.409230|1.276026|13.994589|2.155179|2.669354|3.471236|2.626106|2.519736|0.061754|2.493423|2.925152|2.951589|5.002053|2.882543|4.728816|3.702627|4.420371|6.473569|7.368330|4.987492|3.850982|94.755083|13.605452|73.516695| |1.288004|1.417839|1.544343|1.719094|1.723147|1.552214|1.420735|1.292723|14.253879|2.130168|2.610671|3.376665|2.439607|2.238637|0.055977|2.142238|2.361341|2.398089|4.313451|2.857579|4.817529|3.627469|4.020316|5.387652|6.928271|5.361742|4.003186|82.739389|13.715337|13.712812|53.358707| |1.300903|1.432175|1.554681|1.728582|1.739375|1.572468|1.438983|1.311777|14.337787|2.123790|2.607913|3.326086|2.372800|2.128388|0.053692|2.022879|2.167058|2.179306|4.002723|2.787475|4.723629|3.450944|3.568915|4.364757|5.642203|5.225404|3.984899|50.851132|11.647576|8.862920|17.687226|36.858105| |1.193803|1.305024|1.400589|1.542190|1.562206|1.432758|1.317832|1.214627|12.710298|1.845741|2.288552|2.818908|2.002840|1.825370|0.046734|1.742843|1.854464|1.872901|3.420991|2.329427|4.036936|2.751184|2.854735|3.348708|3.942321|3.691925|3.051876|34.470811|8.162911|6.995243|10.629007|12.491077|36.858105| |1.164834|1.275335|1.361013|1.501563|1.536797|1.416731|1.297684|1.201200|12.582488|1.794659|2.212689|2.719649|1.906601|1.762195|0.045436|1.667972|1.780764|1.834195|3.349584|2.275849|4.034898|2.647085|2.825846|3.285434|3.610103|3.265375|2.807466|30.052093|6.605294|6.610740|9.030761|7.552541|12.464798|36.858105| |1.159164|1.269396|1.359188|1.501429|1.531250|1.406308|1.288176|1.189636|12.577426|1.807472|2.224824|2.763292|1.953072|1.835587|0.047086|1.744822|1.898593|1.974933|3.552280|2.328344|4.116378|2.745454|3.064217|3.705293|3.930414|3.323127|2.833219|34.358532|6.972868|8.153194|10.553368|6.481044|7.549695|12.439437|36.858105| |1.107456|1.205884|1.290819|1.416066|1.434230|1.320382|1.217754|1.126985|11.642853|1.687241|2.097298|2.573100|1.846203|1.747833|0.044809|1.684915|1.842842|1.895964|3.365575|2.133374|3.733871|2.504636|2.779244|3.367277|3.618937|3.072301|2.603458|33.603149|7.063186|8.314208|9.656141|5.778550|6.896384|8.910518|17.521513|0.500000| |1.257934|1.387168|1.500673|1.674097|1.699031|1.539351|1.402161|1.281701|14.164523|2.069263|2.518729|3.241544|2.295554|2.146546|0.054266|2.027844|2.239266|2.343797|4.217883|2.789963|4.856579|3.447362|4.006338|5.257212|5.635226|4.338616|3.547339|50.840362|8.863494|11.648649|17.687188|7.714310|6.537851|7.584680|12.448243|0.249555|36.858105| |1.124416|1.230804|1.308986|1.444345|1.485876|1.374722|1.257281|1.167697|12.205601|1.723859|2.120422|2.600887|1.820175|1.734962|0.044967|1.639098|1.779183|1.881852|3.384887|2.195003|3.965593|2.514881|2.839270|3.299848|3.279353|2.809714|2.505720|26.355758|5.442781|6.635806|6.812154|4.382831|4.898285|7.508510|12.462772|0.247108|7.582218|36.858105| |17.539084|8.811504|5.906555|4.302554|3.977972|4.578557|6.663231|6.536858|20.792388|2.889328|4.604705|3.291956|2.321098|2.228566|0.068354|2.040772|1.768451|1.774950|3.535223|2.121647|3.741107|1.851388|1.669309|1.505885|1.481032|1.602357|1.804267|9.305525|2.313419|2.216055|1.699966|1.269288|1.170056|1.140113|1.128450|0.029956|1.218259|1.093993|0.500000| |17.539158|8.811774|5.906823|4.302370|3.977331|4.578701|6.663210|6.537009|20.810839|2.888317|4.603386|3.284752|2.327021|2.317070|0.072688|2.117407|1.831626|1.861644|3.697614|2.120340|3.759070|1.839716|1.680599|1.508556|1.464449|1.564645|1.760098|9.190204|2.267013|2.210850|1.672071|1.235360|1.138326|1.116215|1.114598|0.029608|1.206361|1.086697|0.302685|0.500000| |17.586781|8.858870|7.362072|4.788444|3.991963|4.171323|5.543867|4.738605|21.097172|3.127918|5.242382|3.571904|2.603194|2.553503|0.079921|2.364800|1.997328|1.982746|3.945369|2.243910|3.877471|1.957770|1.763486|1.585771|1.555413|1.681999|1.899999|9.730808|2.423188|2.327647|1.754503|1.299301|1.189128|1.155104|1.151642|0.030662|1.252410|1.112740|0.302040|0.302036|0.500000| |7.037204|8.906560|17.722451|8.931532|5.658102|4.934326|5.603472|4.072004|28.864003|4.822445|9.534320|5.186127|3.824850|3.663020|0.119013|3.239535|2.595835|2.565542|5.323143|3.029555|5.072336|2.553574|2.232181|1.961078|1.916596|2.105571|2.455040|11.670059|2.898420|2.772135|2.072897|1.529272|1.375328|1.329149|1.330194|0.035266|1.470033|1.275458|0.152772|0.152767|0.226335|0.500000| |4.079461|5.611498|4.933496|5.627793|8.884555|17.713465|8.933147|7.069849|44.081713|4.303014|5.787883|4.528798|2.785720|2.615905|0.080003|2.198289|1.971647|2.109741|4.416722|3.088762|6.012365|2.495298|2.238156|1.936933|1.844555|1.979263|2.303708|11.219433|2.697556|2.660064|2.088763|1.557809|1.429115|1.423691|1.409908|0.036648|1.534451|1.387705|0.107664|0.107679|0.095828|0.107203|0.500000| |6.534057|6.654628|4.576019|3.965326|4.308047|5.903839|8.809643|17.538744|22.568597|2.824569|4.201530|3.187130|2.156740|2.121597|0.065620|1.892976|1.683953|1.754203|3.510795|2.130967|3.919434|1.829018|1.682358|1.503370|1.448021|1.537229|1.730529|9.077320|2.215554|2.181587|1.676653|1.243101|1.153368|1.142805|1.137140|0.030011|1.223818|1.119117|0.174318|0.213219|0.133586|0.107429|0.153310|0.500000| |6.531623|6.653095|4.575362|3.965347|4.309047|5.904175|8.809411|17.538306|22.546451|2.825549|4.202441|3.193743|2.152000|2.052995|0.062377|1.837572|1.634441|1.681096|3.370895|2.132352|3.899258|1.840526|1.671071|1.500758|1.464071|1.572971|1.772485|9.188531|2.258833|2.186617|1.704819|1.277719|1.186441|1.168528|1.151894|0.030375|1.236279|1.127129|0.213122|0.174252|0.133550|0.107417|0.153298|0.302674|0.500000| |4.738577|5.540505|4.170134|3.979566|4.791847|7.358768|8.856356|17.584207|25.511719|2.970875|4.236846|3.331244|2.184696|2.099987|0.063966|1.846094|1.661434|1.743955|3.523278|2.270883|4.270114|1.932298|1.768210|1.573940|1.516332|1.615030|1.826882|9.464680|2.300452|2.259873|1.765766|1.318234|1.225364|1.218423|1.204740|0.031608|1.293788|1.188208|0.133617|0.133631|0.104082|0.095711|0.227662|0.302134|0.302124|0.500000| |2.236390|2.586100|3.145396|3.758091|3.342256|2.688344|2.435984|2.043536|27.869115|5.774960|7.018566|12.466334|17.696001|8.921678|0.174943|6.976506|6.089642|5.551617|12.821686|7.258638|8.884240|7.686360|5.570299|4.561322|4.525357|5.431176|7.489115|23.463112|5.738914|5.357851|3.755122|2.665190|2.201413|2.068428|2.125798|0.055916|2.540087|1.950084|0.057809|0.057427|0.063876|0.088947|0.068574|0.053728|0.054040|0.054771|0.500000| |2.768684|3.266400|4.250810|5.149187|4.122741|3.199927|2.945533|2.388527|31.478543|7.458677|10.988919|12.508430|17.686054|8.851886|0.214020|6.723237|4.833794|4.429912|10.197027|5.761069|7.838541|4.980664|3.877955|3.262026|3.235384|3.784764|4.875937|18.143841|4.516710|4.198221|3.039830|2.208406|1.884796|1.781873|1.805008|0.047646|2.087496|1.680498|0.070441|0.069471|0.080387|0.124194|0.078455|0.062480|0.063181|0.062635|0.302395|0.500000| |2.252637|2.491760|3.034533|3.305671|2.802100|2.353982|2.249594|1.913285|20.845306|3.994788|5.758439|6.389463|7.313030|8.666922|0.187118|17.569879|8.668169|5.749420|10.487497|3.846161|5.608696|3.834370|3.425958|3.089622|3.045319|3.310433|3.748537|17.990077|4.526947|4.350038|2.905507|2.041162|1.754521|1.658771|1.718770|0.046262|1.988425|1.599774|0.057376|0.058430|0.066656|0.091690|0.059285|0.051570|0.050840|0.050309|0.200696|0.207234|0.500000| |2.298470|2.528924|3.046287|3.269584|2.791266|2.373195|2.283089|1.949219|20.416953|3.762432|5.470765|5.649978|5.628778|8.786585|0.227122|17.568251|8.803699|6.754740|11.438386|3.493939|5.335551|3.336096|3.137989|2.794107|2.637414|2.744392|3.077555|15.849048|3.886797|3.944778|2.611652|1.816668|1.588058|1.529398|1.599079|0.043029|1.834377|1.515873|0.057574|0.060857|0.067936|0.091680|0.059793|0.053398|0.051137|0.051179|0.141143|0.150175|0.302779|0.500000| |1.830072|2.027557|2.364442|2.635545|2.396344|2.045245|1.910797|1.661272|18.986504|3.390456|4.410677|5.807486|5.734068|6.654544|0.136660|8.775512|17.555326|8.853594|12.314710|4.061284|5.907313|4.637159|4.607188|4.359956|4.147103|4.151424|4.383472|23.924304|5.803043|6.018750|3.626568|2.426333|2.040164|1.935401|2.066711|0.055823|2.473475|1.906300|0.047296|0.048254|0.052739|0.068108|0.053108|0.044761|0.043992|0.044634|0.191361|0.134213|0.217869|0.174136|0.500000| |1.796663|1.957699|2.260877|2.449583|2.216062|1.926153|1.830279|1.605283|16.955198|2.939630|3.967463|4.665385|4.357174|5.683780|0.130524|8.667607|17.584886|8.706523|10.355579|3.208608|4.925823|3.395285|3.453368|3.271787|3.059791|3.010422|3.160788|18.831243|4.572716|4.887482|2.979396|2.003062|1.736358|1.670159|1.786856|0.048634|2.081963|1.681091|0.046097|0.047961|0.052148|0.065867|0.049944|0.043844|0.042406|0.042931|0.127296|0.108692|0.193004|0.219085|0.301503|0.500000| |1.774592|1.988170|2.272702|2.579541|2.446427|2.099899|1.924817|1.683785|20.116946|3.381294|4.190787|5.658402|4.698408|5.958296|0.134688|5.734644|8.672460|17.614293|16.712554|4.361009|6.748596|4.779740|5.592326|4.916057|3.980029|3.642059|3.907049|22.695867|5.076041|6.033792|3.597976|2.345550|2.005538|1.978904|2.167474|0.057735|2.613914|2.068227|0.045643|0.047569|0.050176|0.063481|0.055462|0.045625|0.043917|0.045848|0.137977|0.105713|0.127145|0.136802|0.218696|0.193761|0.500000| |1.929040|2.149614|2.472962|2.757799|2.556988|2.202106|2.049111|1.784649|20.124535|3.414079|4.439297|5.332272|4.529203|6.689264|0.166064|6.818437|8.787455|17.516710|16.506278|3.772745|5.989685|3.719841|3.940032|3.443315|2.976742|2.870978|3.150051|17.685244|4.102042|4.610678|2.906912|1.951156|1.705302|1.683162|1.811145|0.048462|2.112724|1.747596|0.048910|0.052131|0.054970|0.069916|0.057426|0.048946|0.046251|0.048114|0.121144|0.106500|0.137584|0.186564|0.174029|0.217246|0.300699|0.500000| |1.780139|2.046834|2.303781|2.733108|2.769728|2.352707|2.063532|1.803543|25.408154|3.928927|4.380787|6.887082|4.521453|4.438226|0.107580|3.625139|4.067128|5.163131|10.667943|7.154292|12.020950|8.936557|17.752934|8.916873|5.651182|4.946445|5.648731|27.758071|5.731355|6.864637|4.700044|3.069397|2.554604|2.591967|2.837313|0.071680|3.594747|2.725775|0.046442|0.047375|0.049101|0.061796|0.063906|0.047849|0.046890|0.050219|0.134122|0.100477|0.090485|0.087453|0.119093|0.095178|0.169933|0.119627|0.500000| |1.480196|1.655415|1.834192|2.089115|2.086635|1.833600|1.654941|1.479731|17.876995|2.744026|3.263961|4.576038|3.308927|3.210656|0.077807|2.968160|3.513500|3.932990|6.914302|4.122604|6.816436|5.645055|8.916035|17.757280|8.913803|5.635664|4.951059|47.175168|8.163290|13.182272|7.262062|4.081665|3.263800|3.309235|3.933658|0.100148|5.671302|3.586840|0.039121|0.039445|0.041157|0.050086|0.049992|0.039433|0.039110|0.041138|0.104366|0.078531|0.077509|0.072336|0.110159|0.087227|0.133885|0.093175|0.214272|0.500000| |1.609954|1.796283|2.019919|2.286297|2.218434|1.930433|1.762767|1.560805|18.430390|2.977600|3.636094|5.023524|3.780444|3.120563|0.075181|2.958977|3.117662|2.976872|5.638983|4.090537|6.201518|5.640577|4.946942|5.633884|8.919431|17.758873|8.905761|47.213528|13.282909|8.187762|7.203178|5.596624|3.897014|3.275263|3.229702|0.084422|4.048924|2.680292|0.043222|0.041822|0.045219|0.055931|0.051707|0.040868|0.042172|0.042869|0.129717|0.096744|0.085844|0.070351|0.102590|0.076591|0.086436|0.070697|0.107469|0.124135|0.500000| |2.020347|2.332139|2.709240|3.225048|3.096771|2.563570|2.282071|1.954024|26.983132|4.721504|5.436342|8.790457|6.064991|4.231210|0.101316|3.631025|3.506842|3.431570|7.225107|6.964665|9.315406|8.900797|5.637588|4.947760|5.659860|8.936238|17.720058|27.799659|6.898714|5.746991|4.678655|3.570305|2.819029|2.568575|2.531442|0.065122|3.047745|2.253960|0.053779|0.051667|0.056504|0.074011|0.067443|0.050435|0.052395|0.053379|0.209951|0.152133|0.105358|0.084438|0.110506|0.082260|0.094590|0.080686|0.124192|0.107496|0.215076|0.500000| |1.379460|1.530774|1.663842|1.868402|1.895809|1.705505|1.546688|1.404209|15.878784|2.331127|2.823003|3.664763|2.551222|2.250466|0.056877|2.096744|2.218474|2.255551|4.231414|3.136006|5.358137|3.903661|3.941323|4.655495|5.918200|5.815682|4.556622|43.589991|9.713291|7.849812|12.307661|17.471320|8.831102|6.760022|5.667017|0.132735|6.907119|4.187705|0.037396|0.036293|0.038119|0.045162|0.047066|0.036780|0.037930|0.039311|0.079318|0.065672|0.058623|0.052128|0.068644|0.056311|0.067105|0.055919|0.093007|0.116302|0.166988|0.113054|0.500000| |1.309826|1.436719|1.565251|1.731323|1.724003|1.556154|1.432955|1.304070|14.045207|2.113230|2.622295|3.314338|2.409162|2.142938|0.053845|2.063266|2.199866|2.165823|3.964619|2.715306|4.515963|3.354250|3.361881|4.044678|5.443753|5.428925|4.029749|49.900729|14.115157|8.443985|12.479415|17.670556|8.854197|5.512310|4.889041|0.130208|5.640303|3.554906|0.035544|0.034439|0.036503|0.043037|0.042557|0.034323|0.035417|0.036228|0.075915|0.062955|0.058593|0.051316|0.069036|0.056601|0.064092|0.053718|0.079853|0.103231|0.178178|0.102699|0.300616|0.500000| |1.194452|1.304180|1.394627|1.531677|1.555453|1.432846|1.319542|1.219540|12.586272|1.815553|2.258945|2.744045|1.938992|1.753267|0.045160|1.669647|1.752147|1.762595|3.247243|2.246966|3.909454|2.603056|2.629883|2.982196|3.482965|3.430234|2.914810|28.496929|7.065132|5.840350|7.687097|8.908326|17.539748|8.805119|5.492612|0.140479|4.898158|4.062356|0.032661|0.031573|0.033001|0.037985|0.039769|0.032073|0.033216|0.034212|0.058800|0.051185|0.046939|0.042383|0.053260|0.045547|0.051856|0.044738|0.065653|0.079454|0.102403|0.076698|0.216518|0.212037|0.500000| |1.137077|1.235589|1.325134|1.448651|1.458062|1.341137|1.241974|1.147654|11.729936|1.715358|2.147602|2.611966|1.883679|1.733644|0.044381|1.677984|1.795027|1.796593|3.239819|2.127748|3.662885|2.499040|2.604015|3.067501|3.601535|3.345589|2.763082|33.321579|8.262573|7.001104|9.535076|8.918494|17.546835|8.838822|6.775222|0.202670|5.721670|4.501969|0.030957|0.030165|0.031562|0.036325|0.037055|0.030378|0.031189|0.032075|0.057544|0.049460|0.047049|0.042624|0.054910|0.047116|0.053430|0.045607|0.065208|0.084390|0.099230|0.071257|0.174103|0.218561|0.302264|0.500000| |1.212450|1.334438|1.421618|1.577694|1.629464|1.502182|1.366561|1.264208|13.478666|1.896393|2.318166|2.863905|1.972969|1.811388|0.046888|1.691802|1.791086|1.861839|3.446813|2.426183|4.367190|2.796653|2.962989|3.357533|3.614381|3.331927|2.938423|27.850566|6.079889|6.086967|7.859051|6.775985|8.848033|17.485077|8.850429|0.174251|6.806475|6.949481|0.032987|0.032250|0.033262|0.038339|0.042144|0.033296|0.034109|0.035764|0.059075|0.051116|0.046604|0.043072|0.053793|0.046351|0.055621|0.047461|0.075739|0.092462|0.091320|0.074838|0.198187|0.139035|0.215167|0.173566|0.500000| |1.097936|1.195815|1.268664|1.390025|1.424013|1.323458|1.218170|1.134937|11.532803|1.634931|2.031765|2.447413|1.720750|1.601412|0.041575|1.523686|1.619469|1.664045|3.027419|2.021541|3.600865|2.302604|2.439199|2.776018|3.000943|2.762391|2.425668|24.718967|5.626966|5.629261|6.736121|5.501169|8.825868|17.539978|8.822551|0.214904|5.512537|6.838075|0.029929|0.029291|0.030225|0.034433|0.037031|0.030047|0.030738|0.032016|0.051428|0.044998|0.042133|0.039090|0.048538|0.042490|0.049597|0.042780|0.063088|0.078185|0.077532|0.062589|0.138883|0.123618|0.210324|0.214592|0.303168|0.500000| |1.239306|1.363627|1.476904|1.643466|1.660708|1.504310|1.374231|1.256222|13.786565|2.027140|2.477303|3.180788|2.280437|2.176663|0.054882|2.074169|2.334152|2.462636|4.340907|2.722654|4.721373|3.354027|4.048649|5.459625|5.445894|4.033877|3.351419|49.978180|8.453021|14.143672|12.488950|5.641773|4.917736|5.526468|8.854108|0.218767|17.665068|6.902434|0.033221|0.033122|0.034343|0.040304|0.041561|0.033471|0.033573|0.035162|0.070019|0.057266|0.056009|0.052241|0.071537|0.060716|0.077633|0.061795|0.103211|0.180630|0.102834|0.079548|0.142131|0.127589|0.108065|0.128899|0.139521|0.123735|0.500000| |1.325837|1.473258|1.594602|1.796392|1.840996|1.661161|1.498776|1.365528|15.629377|2.255373|2.704634|3.545648|2.450169|2.272023|0.057573|2.101556|2.299095|2.448816|4.500250|3.138364|5.563522|3.895754|4.592691|5.866134|5.902891|4.613192|3.904752|43.537786|7.843561|9.706844|12.303119|6.911487|5.713381|6.795512|8.824812|0.174674|17.460992|6.984003|0.035632|0.035292|0.036513|0.043094|0.046188|0.036098|0.036463|0.038429|0.074848|0.061384|0.056902|0.052676|0.070060|0.058681|0.075802|0.061152|0.114319|0.170032|0.115034|0.091998|0.203786|0.142068|0.128167|0.131959|0.199640|0.139303|0.300661|0.500000| |1.064133|1.159273|1.226451|1.344707|1.384171|1.290068|1.185292|1.107336|11.251430|1.581464|1.959906|2.360159|1.655867|1.580891|0.041225|1.500978|1.617626|1.699903|3.054767|1.965369|3.556068|2.214093|2.449581|2.784785|2.797895|2.464823|2.220647|22.453307|4.833135|5.629278|5.621544|3.824670|4.523263|6.853139|8.796921|0.212583|5.502551|17.553099|0.028845|0.028607|0.029237|0.033213|0.036245|0.029509|0.029772|0.031331|0.048996|0.042828|0.040838|0.038787|0.047903|0.042703|0.051422|0.044163|0.065652|0.082830|0.066334|0.056368|0.100943|0.088797|0.108070|0.119163|0.172607|0.204468|0.141305|0.141618|0.500000| |1.111489|1.214962|1.293513|1.425232|1.461620|1.351355|1.238273|1.149674|11.979052|1.700089|2.095787|2.569218|1.811005|1.749735|0.045310|1.661094|1.822696|1.940602|3.447185|2.163071|3.898239|2.476808|2.854617|3.342512|3.226897|2.711587|2.428924|26.013808|5.299359|6.950458|6.290136|3.842611|4.061237|5.465215|8.763794|0.213032|6.909030|17.543628|0.029948|0.029919|0.030599|0.035080|0.037821|0.030721|0.030754|0.032449|0.053840|0.046252|0.044760|0.042780|0.054090|0.048089|0.059814|0.050252|0.077279|0.104647|0.071114|0.060340|0.101444|0.089373|0.094700|0.107634|0.141068|0.140225|0.206417|0.173140|0.301839|0.500000| 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