Version2.4 2021-05-28T15:31:15Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H]1CCc2c(cc(s2)c3nnc(n3CC=C)SCC(=O)Nc4ccc(cc4)C(=O)[O-])C1 C13364645 RHF 6-31G(d) (6D,7F) CC[C@H]1CCc2c(cc(s2)c3nnc(n3CC=C)SCC(=O)Nc4ccc(cc4)C(=O)[O-])C1 C01[X(C24H25N4O3S2)] 168 C1 553 C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)[O-])nnc1c1cc2c(s1)CC[C@@H](C2)CC C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)[O-])nnc1c1cc2c(s1)CC[C@@H](C2)CC CC[C@H]1CCc2sc(cc2C1)c3nnc(SCC(=O)Nc4ccc(cc4)C([O-])=O)n3CC=C InChIKey=QAJPVGBNZNZIMR-HNNXBMFYSA-M InChI=1S/C24H26N4O3S2/c1-3-11-28-22(20-13-17-12-15(4-2)5-10-19(17)33-20)26-27-24(28)32-14-21(29)25-18-8-6-16(7-9-18)23(30)31/h3,6-9,13,15H,1,4-5,10-12,14H2,2H3,(H,25,29)(H,30,31)/p-1/t15-/m0/s1 InChI=1/C24H26N4O3S2/c1-3-11-28-22(20-13-17-12-15(4-2)5-10-19(17)33-20)26-27-24(28)32-14-21(29)25-18-8-6-16(7-9-18)23(30)31/h3,6-9,13,15H,1,4-5,10-12,14H2,2H3,(H,25,29)(H,30,31)/p-1/t15-/m0/s1/fC24H25N4O3S2/h25H/q-1 CC[C@H]1CCc2c(cc(s2)c3nnc(n3CC=C)SCC(=O)Nc4ccc(cc4)C(=O)[O-])C1 C01[X(C24H25N4O3S2)] 168 C01 553 C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)[O-])nnc1c1cc2c(s1)CC[C@@H](C2)CC C=CCN1[C]([N][N][C]1C1=[CH][C]2=C(S1)CC[C@@H](C2)CC)SCC(=O)N[C]1[CH][CH][C]([CH][CH]1)[C](=O)=O CC[C@H]1CCc2sc(cc2C1)[C]3[N][N][C](SCC(=O)N[C]4[CH][CH][C]([CH][CH]4)[C](=O)=O)N3CC=C InChIKey=XELXHPQAWUDRRO-HNNXBMFYSA-N InChI=1S/C24H25N4O3S2/c1-3-11-28-22(20-13-17-12-15(4-2)5-10-19(17)33-20)26-27-24(28)32-14-21(29)25-18-8-6-16(7-9-18)23(30)31/h3,6-9,13,15H,1,4-5,10-12,14H2,2H3,(H,25,29)/t15-/m0/s1 InChI=1/C24H25N4O3S2/c1-3-11-28-22(20-13-17-12-15(4-2)5-10-19(17)33-20)26-27-24(28)32-14-21(29)25-18-8-6-16(7-9-18)23(30)31/h3,6-9,13,15H,1,4-5,10-12,14H2,2H3,(H,25,29)/t15-/m0/s1/f/h25H 3292.3303773519 -2160.8201439 1-A 39866.9952 127 426 553 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82.8194 91.8083 99.0042 102.3603 126.5731 139.7121 149.0829 167.4977 181.1833 203.9224 210.2964 221.2698 243.9632 260.7174 279.7099 293.1510 297.3451 310.7911 340.8963 360.0922 381.2350 391.0173 408.0535 428.5703 432.2798 447.1361 467.2768 467.8362 487.6015 512.3225 526.4787 546.3306 554.8886 573.4618 578.1980 619.0494 649.3481 649.9016 658.2041 673.8543 688.9911 696.9115 726.5841 767.3905 774.3887 781.0090 789.2245 815.6067 835.0046 843.1910 858.6844 866.2237 894.6506 901.4546 927.9935 942.8709 957.9803 975.4868 980.6626 989.2555 1005.1116 1015.5922 1021.7338 1031.4507 1041.5863 1052.2070 1061.8090 1084.6976 1088.8160 1098.5454 1111.3182 1113.9276 1122.1484 1125.4943 1141.3236 1147.3715 1175.3103 1190.5532 1227.6483 1233.7181 1239.1226 1247.5683 1258.9777 1265.3248 1275.3094 1281.0565 1287.6439 1293.5942 1299.0959 1304.3235 1342.2192 1360.2895 1381.7377 1383.9220 1387.5568 1417.6113 1432.5222 1433.5324 1444.7039 1448.9568 1484.5967 1490.6478 1507.3687 1514.5687 1519.7322 1523.4089 1529.2067 1538.4171 1551.3024 1553.4697 1567.0212 1569.5560 1602.0354 1605.9650 1628.3193 1634.8835 1637.0308 1644.0469 1645.2194 1649.0000 1654.5152 1671.6673 1674.6371 1682.5627 1722.0722 1748.4380 1794.7852 1804.9852 1808.0217 1879.4920 1918.3984 1948.0599 3167.3715 3176.7262 3183.8162 3193.7664 3197.1410 3201.6265 3214.5390 3230.8875 3237.6263 3243.1101 3250.5360 3259.1128 3269.2826 3272.7040 3307.2970 3318.3646 3322.1124 3334.0483 3361.7542 3404.4876 3406.6636 3409.3931 3415.2820 3440.7808 3865.4926 6.7912 5.2899 5.7188 5.8572 7.2315 7.0036 4.6420 6.2353 3.7288 7.2034 4.5856 3.8182 3.5546 4.7955 3.3779 3.6540 3.9239 5.6393 3.2014 3.9987 3.6536 3.7432 2.2472 4.2236 5.0525 1.3985 5.6831 5.3731 4.9063 5.5689 5.2298 5.9091 3.0399 4.4716 5.5843 3.2433 3.6371 3.0691 4.1111 2.4483 3.8036 8.8267 2.2402 7.2114 4.6712 1.7046 4.2364 2.0604 2.0491 3.0801 6.9955 3.9776 7.1397 4.3205 3.5793 5.5718 8.6595 5.9372 6.5620 1.3711 4.7271 5.0221 3.4822 1.5917 8.7134 1.4215 5.2756 2.3112 1.6620 1.4776 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62.6137 11.7367 102.2403 11.5722 69.8602 16.3884 69.2615 48.6082 8.5672 0.8094 15.1660 3.2524 3.1032 2.4366 5.6283 21.0339 1.6377 28.8198 1.3052 6.1529 0.3909 0.7720 1.2773 0.4797 0.4270 0.7424 2.2958 0.3315 0.9248 0.9232 0.3489 1.2908 4.7231 4.6209 1.0898 1.0325 3.2871 0.6703 0.9003 0.2911 0.9045 1.0021 2.3987 0.3502 0.3068 3.5999 3.8608 3.3956 0.7902 0.7194 1.7218 2.3889 0.8484 1.8563 1.7033 0.0509 2.9204 1.2377 2.7973 3.8180 0.3166 1.1090 1.0554 4.0298 3.4286 2.6361 1.5467 5.7867 11.1613 4.0149 5.1657 6.6620 0.8623 7.4829 3.1414 6.8989 4.8427 2.7946 11.5411 17.9947 6.4727 6.6783 2.2604 2.6550 43.7101 0.6807 0.4008 7.8607 3.8575 3.2454 5.6124 1.6444 9.1490 4.1895 5.1284 9.5061 5.2592 1.8707 4.0124 6.9162 0.0538 1.3443 2.9524 13.3566 5.0573 17.4615 0.3952 48.1099 31.1642 18.9686 3.0361 15.3189 6.0475 17.8159 5.7035 1.0409 10.5642 32.3853 19.8975 9.4416 4.1580 32.0506 20.8419 2.0223 4.0407 0.9658 6.4040 29.0371 8.8160 29.7002 15.5421 16.7817 2.8821 18.4541 13.0384 7.3043 6.0366 19.3984 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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 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 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 4694.1759 68612.7151 72603.2208 0.99998 -0.00565 -0.00190 0.00566 0.99998 0.00285 0.00189 -0.00286 0.99999 1 0.01845 0.00126 0.00119 0.38446 0.02630 0.02486 10.17 13.83 24.87 31.92 45.71 48.30 72.98 85.00 104.92 107.89 108.75 119.16 132.09 142.44 147.27 182.11 201.01 214.50 240.99 260.68 293.40 302.57 318.36 351.01 375.11 402.44 421.78 427.81 447.16 490.47 518.09 548.51 562.59 587.10 616.62 621.95 643.33 672.31 673.11 701.55 737.12 757.49 786.05 798.36 825.08 831.90 890.67 934.27 935.06 947.01 969.53 991.30 1002.70 1045.39 1104.10 1114.17 1123.70 1135.52 1173.48 1201.39 1213.16 1235.46 1246.30 1287.20 1296.99 1335.18 1356.58 1378.32 1403.51 1410.95 1423.32 1446.13 1461.21 1470.05 1484.03 1498.61 1513.89 1527.71 1560.64 1566.56 1580.56 1598.94 1602.69 1614.52 1619.34 1642.11 1650.81 1691.01 1712.94 1766.31 1775.05 1782.82 1794.97 1811.39 1820.52 1834.89 1843.15 1852.63 1861.19 1869.11 1876.63 1931.15 1957.15 1988.01 1991.16 1996.38 2039.63 2061.08 2062.53 2078.61 2084.73 2136.00 2144.71 2168.77 2179.13 2186.56 2191.85 2200.19 2213.44 2231.98 2235.10 2254.59 2258.24 2304.97 2310.63 2342.79 2352.23 2355.32 2365.42 2367.10 2372.54 2380.48 2405.16 2409.43 2420.83 2477.68 2515.61 2582.30 2596.97 2601.34 2704.17 2760.15 2802.82 4557.14 4570.60 4580.80 4595.12 4599.97 4606.43 4625.00 4648.53 4658.22 4666.11 4676.80 4689.14 4703.77 4708.69 4758.46 4774.39 4779.78 4796.95 4836.81 4898.30 4901.43 4905.36 4913.83 4950.52 5561.58 0.492873 0.522804 0.523749 0.424322 -2160.327271 -2160.297339 -2160.296395 -2160.395822 3.334798D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE CC[C@H]1CCc2c(cc(s2)c3nnc(n3CC=C)SCC(=O)Nc4ccc(cc4)C(=O)[O-])C1 C13364645 RHF 6-31G(d) (6D,10F) C1 481.136809 |X|Y|Z| 51.230154 19.387892 192.002473 57.560032 24 6 7 16 18 4 2 |36.858105| |12.453351|36.858105| |7.380949|12.416732|36.858105| |6.827020|8.906789|17.475810|0.500000| |4.857961|7.533551|12.407157|0.247815|36.858105| |3.722502|4.888002|7.481611|0.194995|12.428248|36.858105| |3.599297|4.393476|6.688906|0.174098|7.666869|12.670266|36.858105| |4.177487|4.905278|7.546148|0.186128|6.717447|7.535577|14.151900|36.858105| |3.403968|3.698102|4.899015|0.128591|4.474077|5.065027|8.237584|13.248166|36.858105| |2.803066|3.065733|3.949114|0.106724|3.914851|4.798398|7.655636|8.173345|14.150997|36.858105| |2.743522|3.142497|4.171164|0.114072|4.612388|6.685090|10.984944|7.437328|7.460119|10.924259|388.023441| |2.365800|2.509014|3.054056|0.083655|3.007787|3.530264|4.838163|5.100791|7.658173|12.979799|47.551819|36.858105| |2.295670|2.361655|2.809479|0.078214|2.674709|3.031793|3.961456|4.355500|6.311567|7.875493|34.572606|14.834892|53.358707| |1.979664|2.028856|2.349357|0.065191|2.272874|2.545538|3.165322|3.365565|4.444685|5.357606|27.524591|8.896354|19.055669|53.358707| |1.883901|1.964516|2.276187|0.062498|2.263409|2.566187|3.170643|3.254347|4.180845|5.319223|28.853792|8.883140|12.154264|20.177649|36.858105| |2.056850|2.191156|2.597824|0.070637|2.635087|3.072156|3.943686|3.946768|5.188545|7.503780|39.101673|13.898298|11.908134|11.899536|13.998646|53.358707| |1.952030|2.119244|2.495370|0.066957|2.629020|3.089942|3.825518|3.635290|4.378898|5.980271|38.434315|7.431900|7.203468|7.233227|7.559573|17.765265|36.858105| |1.803009|1.962695|2.303073|0.062820|2.467363|2.956401|3.490996|3.167828|3.590284|4.751800|35.681127|5.461508|5.801404|5.907273|5.749171|10.477903|12.643881|36.858105| |1.794555|1.982964|2.328799|0.063418|2.571600|3.136101|3.552561|3.088277|3.311465|4.222892|35.866101|4.352817|4.733321|4.639913|4.157609|7.216628|7.636433|14.459028|36.858105| |1.612594|1.678391|1.900231|0.052075|1.912192|2.135441|2.518141|2.538692|3.053045|3.647229|22.084370|4.951093|6.722828|9.489018|10.831861|9.474635|5.985282|5.228937|3.852883|388.023441| |1.530830|1.563172|1.745288|0.048218|1.720745|1.885540|2.196109|2.262550|2.703128|3.065656|18.384943|4.010253|6.102904|8.968856|7.064460|6.448714|3.938321|3.566234|2.863887|74.710045|36.858105| |1.366656|1.394674|1.537762|0.042435|1.525554|1.657528|1.888361|1.928287|2.236510|2.489854|15.536310|3.073883|4.494708|5.874083|4.668970|4.869274|3.231457|3.049576|2.536142|49.848950|12.477203|36.858105| |1.314796|1.351458|1.488221|0.040922|1.492531|1.625041|1.836568|1.853742|2.123786|2.377469|15.181447|2.883897|4.056103|5.099658|4.265996|4.677414|3.274100|3.159322|2.639320|48.250930|8.011530|15.873098|73.516695| |1.304053|1.318460|1.441359|0.039919|1.418034|1.525957|1.724232|1.773268|2.038448|2.220737|13.894008|2.677546|3.994396|5.043044|3.745747|4.049361|2.676403|2.537860|2.168997|34.267181|7.973071|14.166140|14.888586|53.358707| |1.190237|1.201145|1.301502|0.036046|1.283023|1.371338|1.528708|1.566425|1.770113|1.906119|12.157814|2.233052|3.275746|3.948583|2.939933|3.333877|2.266560|2.182961|1.910394|25.910610|5.027512|7.583419|11.357035|18.192725|36.858105| |1.124820|1.141012|1.233286|0.034069|1.225592|1.309964|1.448788|1.472337|1.646839|1.777334|11.527705|2.055690|2.945461|3.483553|2.666368|3.102780|2.171774|2.121308|1.875504|23.919300|4.177473|6.204922|11.355174|10.442379|13.736868|36.858105| |1.042918|1.055179|1.132827|0.031316|1.125331|1.195787|1.310563|1.331008|1.472859|1.574284|10.310435|1.789171|2.553477|2.948170|2.233370|2.660591|1.877856|1.844762|1.659340|19.215123|3.215552|4.279506|7.808921|6.953336|7.965987|13.714097|36.858105| |1.016779|1.022620|1.093250|0.030293|1.079718|1.141695|1.248391|1.273904|1.406015|1.489063|9.729078|1.681260|2.422340|2.770020|2.055366|2.458016|1.717795|1.680656|1.520288|17.075508|2.892727|3.640366|6.298651|6.138965|6.801132|7.837582|13.738538|36.858105| |1.065633|1.066609|1.141531|0.031701|1.119974|1.183462|1.300630|1.335636|1.483186|1.565557|10.118044|1.778347|2.602580|2.995774|2.179513|2.574799|1.767833|1.714842|1.541930|17.819048|3.148306|3.888258|6.329940|7.055834|7.920399|6.865617|8.018332|13.714779|36.858105| |1.153482|1.155350|1.244309|0.034562|1.218268|1.293270|1.434830|1.478225|1.660946|1.764114|11.254491|2.038505|3.021450|3.562747|2.574528|2.966824|2.004285|1.927855|1.708751|21.349059|4.032274|5.159309|7.813198|10.839039|13.699422|7.933515|6.932568|7.895254|13.781262|36.858105| |0.940667|0.944880|1.004410|0.027837|0.992810|1.045003|1.133576|1.154733|1.262419|1.328516|8.760725|1.479369|2.117266|2.377723|1.762076|2.145556|1.512604|1.487101|1.362324|14.333282|2.342875|2.816540|4.956355|4.493706|4.381568|4.946238|7.442560|12.316112|7.457750|4.969722|36.858105| |0.909089|0.916289|0.973286|0.026934|0.966474|1.017625|1.099787|1.115541|1.214336|1.280272|8.505598|1.419138|2.011768|2.248295|1.683780|2.068401|1.474912|1.458345|1.343186|13.768848|2.193291|2.633443|4.768909|4.047286|3.814534|4.557785|6.826424|8.111185|5.273489|4.001186|15.479272|73.516695| |0.923663|0.923858|0.979091|0.027181|0.963890|1.011118|1.095028|1.118915|1.220719|1.276892|8.409393|1.415308|2.035998|2.270279|1.663408|2.031578|1.424132|1.396461|1.283172|13.272082|2.175629|2.543150|4.390132|4.072534|3.816773|3.987722|5.271388|8.117312|6.861271|4.580953|15.465416|15.162206|73.516695| |6.131282|7.458424|12.389598|0.247572|7.569810|6.295497|7.594494|12.626485|7.292782|5.060213|33.679561|3.747404|4.675021|3.783872|2.658401|4.170703|2.863378|2.541788|2.500553|15.340972|1.977218|1.715218|2.929787|2.179132|1.431230|1.347056|1.229018|1.184532|1.242444|1.364584|1.081347|1.856848|1.871841|36.858105| |17.532914|8.769425|6.761884|0.204467|4.516874|3.650874|3.532168|4.031539|3.328003|2.775186|19.409187|2.355928|3.145267|2.704837|1.876089|2.771723|1.915489|1.786160|1.775262|11.392836|1.530064|1.364043|2.325776|1.776677|1.191055|1.122866|1.041484|1.017456|1.068656|1.157210|0.941275|1.614818|1.645615|5.560208|0.500000| |17.563302|8.727770|6.556051|0.163828|4.406726|3.523901|3.602483|4.403820|3.701541|2.961900|19.798233|2.511242|3.348836|2.871828|1.990982|2.946125|2.031532|1.849014|1.818812|12.036193|1.614472|1.434289|2.442411|1.864641|1.246306|1.173230|1.085533|1.059197|1.113438|1.208762|0.977501|1.675837|1.707105|6.666198|0.301683|0.500000| |17.547190|8.798636|5.427379|0.140948|4.063440|3.173386|3.028003|3.408096|2.873727|2.429171|16.999640|2.093894|2.775845|2.433675|1.709603|2.519577|1.771114|1.644889|1.642027|10.556875|1.415784|1.274854|2.185865|1.662199|1.121383|1.062851|0.989806|0.966860|1.011454|1.089811|0.898090|1.544874|1.570050|4.631706|0.301765|0.302579|0.500000| |8.896484|17.515543|8.892968|0.214442|7.065721|4.653513|3.925511|4.095549|3.174627|2.737629|20.593323|2.274151|2.913263|2.533858|1.813603|2.742929|1.968783|1.854163|1.894011|11.149897|1.460634|1.312459|2.269369|1.691214|1.137347|1.084379|1.006099|0.975366|1.014625|1.094903|0.904158|1.561735|1.572113|5.478243|0.209306|0.173060|0.216967|0.500000| |8.853017|17.497644|8.848492|0.174193|6.890397|4.513373|4.130885|4.621847|3.573061|2.973640|21.482768|2.451700|3.118288|2.703650|1.940794|2.952551|2.123366|1.949051|1.971324|11.875950|1.548534|1.386634|2.397430|1.780894|1.193874|1.137468|1.052390|1.018214|1.059438|1.146174|0.941442|1.625691|1.634386|6.788067|0.172842|0.211749|0.211197|0.304074|0.500000| |4.607584|7.061775|8.805196|0.210758|17.535352|8.855534|5.578989|4.909193|3.589127|3.247675|27.249449|2.598716|3.193187|2.763281|2.024571|3.159365|2.331697|2.233238|2.351439|12.381392|1.577739|1.412480|2.463833|1.795199|1.201287|1.151479|1.062414|1.021129|1.056813|1.143972|0.943013|1.634743|1.629649|5.501641|0.121169|0.111100|0.111682|0.219580|0.175973|0.500000| |4.484072|6.790428|8.847512|0.174420|17.507648|8.848987|6.703952|6.203730|4.342506|3.802249|30.952064|2.955307|3.546491|3.046548|2.254072|3.586187|2.677047|2.474599|2.582763|13.651669|1.716459|1.527252|2.667937|1.926986|1.282558|1.229116|1.128599|1.080481|1.117856|1.214797|0.993851|1.723011|1.712672|6.977343|0.110805|0.117092|0.107645|0.171196|0.203504|0.303054|0.500000| |3.569980|4.495209|6.546324|0.199027|8.813834|17.511885|8.934209|6.073569|4.434406|4.308336|42.213087|3.295978|3.946791|3.332100|2.443902|3.908337|2.846852|2.800423|2.973664|14.546611|1.826223|1.609762|2.799263|2.027152|1.341641|1.280293|1.171381|1.121301|1.163569|1.269643|1.027984|1.778385|1.771385|5.293853|0.101304|0.092201|0.085025|0.123922|0.110708|0.219696|0.174046|0.500000| |3.164816|4.066643|5.480783|0.141149|8.810409|17.540671|8.890026|5.752650|4.333856|4.353237|45.114239|3.326657|3.839035|3.302109|2.501217|4.103327|3.158326|3.084303|3.393062|15.085697|1.847913|1.638056|2.882488|2.042122|1.352768|1.301311|1.188658|1.130156|1.165167|1.269999|1.035811|1.799941|1.776603|4.857295|0.085362|0.083705|0.077383|0.110539|0.109224|0.207750|0.219678|0.303788|0.500000| |3.382928|3.501554|4.353827|0.114489|3.812402|4.042638|5.728655|8.563319|17.746299|8.971504|37.738453|6.895462|8.935560|6.297632|4.150005|6.545925|3.946325|3.208074|2.912239|21.616311|2.781737|2.288416|3.815869|2.867040|1.823824|1.682366|1.504320|1.443242|1.532467|1.721918|1.293464|2.202395|2.230201|6.518955|0.091506|0.105874|0.079867|0.082811|0.094867|0.087473|0.104381|0.100982|0.098094|0.500000| |2.115304|2.337318|2.785127|0.073422|2.992464|3.548886|4.485136|4.190748|4.956807|6.756560|45.388219|7.048699|6.639010|6.170978|5.734343|12.538283|17.643498|8.881210|7.220864|32.417301|3.302345|2.772593|4.970961|3.213365|2.033409|1.953160|1.712522|1.579662|1.624804|1.824183|1.404386|2.437987|2.362288|3.224441|0.057108|0.061109|0.053069|0.059984|0.065596|0.072589|0.086044|0.088058|0.102067|0.119637|0.500000| |1.817475|1.956847|2.255138|0.060195|2.359292|2.688825|3.230604|3.149711|3.743332|4.703776|29.812187|5.786440|6.248909|6.712580|7.114901|12.604844|17.582700|8.921253|6.105945|47.999432|4.199134|3.517681|6.495601|3.883021|2.413079|2.334135|2.002680|1.813018|1.853964|2.104920|1.589268|2.763327|2.643654|2.578852|0.049307|0.052746|0.046213|0.050567|0.054943|0.058674|0.067479|0.068900|0.076488|0.097705|0.303565|0.500000| |1.684740|1.810073|2.102007|0.057957|2.216532|2.617563|3.047069|2.818614|3.206056|4.127425|29.810945|4.968317|5.669932|6.115594|6.022831|9.437259|8.654849|17.690616|9.164674|42.728033|3.988586|3.417681|6.345272|3.804279|2.383607|2.317133|1.994732|1.804754|1.840238|2.081565|1.585298|2.761323|2.635409|2.307578|0.046668|0.048012|0.042861|0.047663|0.049682|0.056289|0.061229|0.070195|0.074826|0.081499|0.171955|0.202808|0.500000| |1.673161|1.840780|2.139761|0.058860|2.361545|2.858421|3.125634|2.719777|2.862111|3.530769|30.030738|3.632735|4.135874|4.103607|3.575720|5.799543|5.479884|9.119214|17.720238|24.498633|2.650133|2.399273|4.469420|2.817984|1.844546|1.824645|1.624741|1.488116|1.501888|1.653575|1.339689|2.356540|2.241826|2.253439|0.046233|0.046803|0.042766|0.049335|0.050606|0.061029|0.065310|0.077045|0.086083|0.070783|0.142632|0.131139|0.218917|0.500000| |1.899701|2.133266|2.519566|0.067664|2.855774|3.520709|3.943115|3.340338|3.479143|4.358872|39.283833|4.194138|4.503770|4.285352|3.735434|6.592362|6.923532|9.082137|17.700452|24.060381|2.590158|2.301579|4.231611|2.714711|1.769142|1.735989|1.547896|1.426349|1.447424|1.595946|1.285585|2.254441|2.160298|2.691489|0.051789|0.053309|0.048223|0.056597|0.059348|0.072111|0.080816|0.090393|0.109327|0.083660|0.215860|0.156438|0.173511|0.289075|0.500000| |1.587946|1.610544|1.790555|0.049254|1.746873|1.893024|2.217386|2.330096|2.818641|3.120883|18.188204|4.071908|6.410836|9.423679|6.721876|6.269799|3.753907|3.262550|2.662514|56.472360|17.619914|8.807435|10.966659|9.680286|4.701176|3.841713|3.038005|2.798259|3.095765|3.962327|2.283520|3.774964|3.812237|2.052819|0.043951|0.046899|0.040778|0.041549|0.044440|0.044317|0.048567|0.050648|0.051185|0.082580|0.089987|0.111447|0.097360|0.067796|0.068352|0.500000| |1.544828|1.571251|1.760791|0.049128|1.727362|1.902478|2.215007|2.275851|2.713482|3.085594|18.591813|4.037799|6.383898|9.443255|6.683555|6.207061|3.695013|3.459374|2.805700|56.464411|17.620602|8.808619|10.984073|9.659279|4.693282|3.840381|3.036126|2.794749|3.089572|3.951891|2.281017|3.772232|3.807079|1.985679|0.043219|0.045137|0.039599|0.040865|0.042902|0.044088|0.047409|0.051708|0.051478|0.077279|0.086832|0.104437|0.108975|0.072980|0.070122|0.303010|0.500000| |1.348854|1.355348|1.481929|0.041167|1.445660|1.551943|1.760965|1.826645|2.112798|2.283737|14.100242|2.763980|4.239852|5.388660|3.806090|4.076365|2.626496|2.465816|2.110877|32.312925|7.870420|9.558359|10.882143|26.059738|9.330828|5.738868|4.297452|4.075381|4.951206|7.721209|3.076627|4.861613|5.115423|1.653284|0.037608|0.039488|0.035030|0.035391|0.037249|0.037292|0.039956|0.042159|0.042095|0.061230|0.064833|0.076539|0.074800|0.055772|0.054201|0.215142|0.214244|0.500000| |1.141329|1.164520|1.262815|0.034802|1.262868|1.355728|1.500642|1.516337|1.696494|1.847121|12.044028|2.143291|3.027326|3.591751|2.824418|3.295808|2.343809|2.303772|2.027032|26.390328|4.383853|6.749482|14.525878|9.472913|8.912433|17.801915|8.891064|5.608888|4.954769|5.645272|4.051537|7.027048|5.920416|1.379135|0.031586|0.033020|0.029922|0.030753|0.032304|0.032925|0.035262|0.036714|0.037589|0.047836|0.058068|0.070843|0.070374|0.054808|0.051815|0.108778|0.108859|0.142814|0.500000| |1.001215|1.015833|1.088501|0.030050|1.086134|1.153412|1.257433|1.271364|1.397834|1.494193|9.880172|1.684058|2.376871|2.714802|2.076617|2.510696|1.797853|1.779396|1.614368|17.829879|2.860174|3.702847|7.050854|5.619317|5.656144|8.903797|17.747031|9.024353|5.702500|4.985340|7.013257|13.841817|8.636804|1.175744|0.027737|0.028877|0.026446|0.026970|0.028189|0.028554|0.030311|0.031375|0.031973|0.039481|0.045720|0.053381|0.053304|0.044120|0.041898|0.074899|0.074883|0.098043|0.213958|0.500000| |1.037874|1.034360|1.102575|0.030669|1.077889|1.134269|1.242318|1.278905|1.414031|1.481495|9.587757|1.668718|2.449188|2.782752|2.002057|2.387093|1.635810|1.585954|1.435474|15.962224|2.778693|3.273655|5.324817|5.719357|5.630529|4.950870|5.699556|9.000168|17.750610|8.893388|7.023201|8.643353|13.926684|1.197133|0.028954|0.030122|0.027423|0.027357|0.028509|0.028311|0.029844|0.031039|0.030949|0.040683|0.042070|0.047335|0.046997|0.038875|0.037605|0.076952|0.076787|0.116865|0.107601|0.125548|0.500000| |1.197479|1.193223|1.285453|0.035793|1.250012|1.324813|1.475186|1.529733|1.726631|1.823672|11.522655|2.112595|3.185171|3.759084|2.644951|3.028853|2.012345|1.921102|1.700011|21.222658|4.110946|4.859071|7.069416|10.046178|8.892000|5.638097|4.977111|5.623658|8.915775|17.644949|4.061334|5.929272|7.053018|1.414776|0.033449|0.034953|0.031382|0.031342|0.032799|0.032555|0.034530|0.036180|0.035943|0.050070|0.051034|0.058171|0.057382|0.045528|0.044222|0.115693|0.115276|0.238790|0.124007|0.107976|0.213993|0.500000| |5.811799|7.063078|8.810843|0.174574|6.583270|5.272151|6.093976|8.922482|6.353165|4.561627|29.770294|3.511782|4.370484|3.620392|2.573826|4.022411|2.810225|2.456842|2.414876|15.066525|1.938343|1.692139|2.901331|2.149055|1.415716|1.336595|1.221082|1.175792|1.230423|1.348622|1.074730|1.848178|1.859043|17.480145|0.136117|0.184530|0.128271|0.143056|0.210492|0.138139|0.196913|0.120962|0.122360|0.168529|0.088820|0.071601|0.061715|0.060206|0.072750|0.056262|0.053449|0.045151|0.038054|0.032502|0.032919|0.038744|0.500000| 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