Version2.1 2021-01-12T17:57:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 27-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)c2nnc(n2c3ccccc3)SCC(=O)Nc4ccc5c(c4)[nH]c(=O)[nH]5 C03452235 RHF 6-31G(d) (6D,7F) c1ccc(cc1)c2nnc(n2c3ccccc3)SCC(=O)Nc4ccc5c(c4)[nH]c(=O)[nH]5 C01[X(C23H18N6O2S1)] 144 C1 520 O=C(Nc1ccc2c(c1)[nH]c(=O)[nH]2)CSc1nnc(n1c1ccccc1)c1ccccc1 O=C(Nc1ccc2c(c1)[nH]c(=O)[nH]2)CSc1nnc(n1c1ccccc1)c1ccccc1 O=C(CSc1nnc(n1c2ccccc2)c3ccccc3)Nc4ccc5NC(=O)Nc5c4 InChIKey=NWSZNKUWVJCENZ-UHFFFAOYSA-N InChI=1S/C23H18N6O2S/c30-20(24-16-11-12-18-19(13-16)26-22(31)25-18)14-32-23-28-27-21(15-7-3-1-4-8-15)29(23)17-9-5-2-6-10-17/h1-13H,14H2,(H,24,30)(H2,25,26,31) InChI=1/C23H18N6O2S/c30-20(24-16-11-12-18-19(13-16)26-22(31)25-18)14-32-23-28-27-21(15-7-3-1-4-8-15)29(23)17-9-5-2-6-10-17/h1-13H,14H2,(H,24,30)(H2,25,26,31)/f/h24-26H c1ccc(cc1)c2nnc(n2c3ccccc3)SCC(=O)Nc4ccc5c(c4)[nH]c(=O)[nH]5 C01[X(C23H18N6O2S1)] 144 C01 520 O=C(Nc1ccc2c(c1)[nH]c(=O)[nH]2)CSc1nnc(n1c1ccccc1)c1ccccc1 O=C(N[C]1[CH][CH][C]2[C]([CH]1)NC(=O)N2)CS[C]1[N][N][C]([N@]1[C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH][CH]1 O=C(CS[C]1[N][N][C]([C]2[CH][CH][CH][CH][CH]2)N1[C]3[CH][CH][CH][CH][CH]3)N[C]4[CH][CH][C]5NC(=O)N[C]5[CH]4 InChIKey=NWSZNKUWVJCENZ-UHFFFAOYSA-N InChI=1S/C23H18N6O2S/c30-20(24-16-11-12-18-19(13-16)26-22(31)25-18)14-32-23-28-27-21(15-7-3-1-4-8-15)29(23)17-9-5-2-6-10-17/h1-13H,14H2,(H,24,30)(H2,25,26,31) InChI=1/C23H18N6O2S/c30-20(24-16-11-12-18-19(13-16)26-22(31)25-18)14-32-23-28-27-21(15-7-3-1-4-8-15)29(23)17-9-5-2-6-10-17/h1-13H,14H2,(H,24,30)(H2,25,26,31)/f/h24-26H 2961.3748053113 -1755.4260545 1-A 27049.0951 115 405 520 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.96971 -20.55097 -20.51966 -15.64191 -15.61750 -15.60854 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433.1581 454.7071 460.1951 460.6060 461.4157 526.9513 530.3654 531.5981 558.1310 560.9029 573.6294 609.5956 636.1404 656.8463 667.7257 675.3902 680.8487 695.7578 753.2633 762.3425 766.7564 773.4277 775.4481 777.8118 784.3592 809.8735 810.0701 853.8173 855.6465 869.4045 874.0759 907.3838 919.6415 944.4896 954.1580 960.6319 1006.7867 1020.4155 1037.2366 1050.3624 1052.2151 1055.6949 1058.9996 1074.9416 1088.4565 1091.1624 1092.7712 1105.2371 1107.1561 1108.1223 1128.4368 1130.1006 1132.3825 1142.9344 1180.1012 1182.6026 1187.7093 1216.7541 1218.1620 1228.2210 1244.0947 1259.2647 1292.0905 1295.2675 1303.9623 1305.7683 1316.7502 1334.1441 1337.6256 1344.6601 1382.0844 1406.0010 1409.8396 1460.6240 1473.2861 1480.2446 1484.2787 1485.6945 1504.1895 1550.7468 1561.2389 1602.4593 1611.7374 1619.3901 1634.8855 1667.3862 1676.3605 1678.7683 1684.5305 1734.6945 1745.3112 1786.0881 1790.0420 1808.1136 1818.3418 1821.0543 1839.6811 1966.8408 2007.0714 3265.3448 3316.2500 3356.0549 3360.4472 3367.3833 3373.1887 3378.1711 3385.5257 3385.9162 3386.7322 3395.2647 3400.5041 3402.5234 3405.8990 3461.8798 3867.5218 3915.3958 3920.8829 8.1819 4.9699 7.5015 4.6977 5.6899 8.0278 3.8562 5.2970 5.5587 6.5289 4.3641 7.5920 6.8725 6.2952 6.5700 6.2310 6.4494 6.3559 4.8131 5.2318 8.3047 8.6948 10.5659 1.7872 7.0284 6.2147 1.7149 5.9985 2.9609 5.5951 2.5237 3.2769 5.9593 1.3167 8.0347 7.9666 1.3367 4.2864 4.6204 2.1282 6.4382 5.3048 6.4189 6.3618 3.1757 6.4166 5.7996 4.7535 2.1972 5.1900 2.6620 5.8244 4.0156 4.9856 10.9165 5.0362 2.0050 2.0787 1.4784 5.0392 4.3077 1.2458 1.2463 1.4016 1.9405 1.3377 1.6109 2.8495 1.4365 4.8970 7.8219 3.2989 6.1811 6.1013 1.3907 3.9937 1.5737 2.1690 1.4324 1.3848 2.0393 1.8651 3.2004 1.9860 2.5400 2.3521 2.0228 2.6680 4.5705 3.2085 1.1485 1.1115 1.1513 2.0308 1.5160 1.6105 1.8930 1.5794 3.2563 2.9099 2.1997 1.3858 1.6286 3.8856 2.7876 1.7790 4.9243 2.4031 1.0979 2.2353 2.1696 3.8512 2.3143 3.0332 2.8609 7.2916 1.9642 7.4692 5.5987 5.6794 5.3627 5.5809 5.1775 6.6294 8.9953 8.8777 1.0597 1.1068 1.0901 1.0872 1.0875 1.0915 1.0908 1.0954 1.0957 1.0938 1.0966 1.0989 1.0947 1.0956 1.0935 1.0782 1.0814 1.0816 0.0005 0.0003 0.0027 0.0035 0.0044 0.0086 0.0057 0.0114 0.0186 0.0245 0.0198 0.0536 0.0578 0.0593 0.1246 0.1629 0.1719 0.1970 0.2156 0.2679 0.4344 0.4889 0.6964 0.1450 0.6233 0.6513 0.1823 0.6631 0.3607 0.6981 0.3155 0.4111 0.9750 0.2182 1.3378 1.4622 0.2478 0.8310 1.0116 0.5074 1.6366 1.3935 1.7251 1.7375 0.9057 2.1451 1.9859 1.6466 0.7744 1.8387 0.9489 2.1112 1.5518 1.9276 4.6888 2.1724 0.8929 0.9357 0.7172 2.5110 2.2641 0.6683 0.6776 0.8371 1.1905 0.8479 1.0471 1.8588 0.9432 3.2357 5.3252 2.3027 4.3361 4.2927 1.0009 2.8844 1.1385 1.6273 1.0778 1.0462 1.5695 1.5303 2.6372 1.6507 2.2156 2.0564 1.7978 2.4330 4.2702 3.1560 1.1353 1.1135 1.1565 2.0746 1.5898 1.6978 2.0167 1.7775 3.7927 3.4078 2.7649 1.7723 2.1025 5.0435 3.6253 2.3716 6.9771 3.4511 1.6610 3.4212 3.3522 6.0649 3.7909 5.0222 4.7505 12.1907 3.4825 13.4052 10.5231 10.7220 10.3297 10.8719 10.1161 13.2194 20.5025 21.0707 6.6570 7.1716 7.2341 7.2336 7.2653 7.3172 7.3340 7.3976 7.4012 7.3919 7.4483 7.4867 7.4671 7.4883 7.7210 9.5022 9.7674 9.7967 0.1069 1.9984 1.3817 1.2181 3.9779 0.1437 0.1696 0.0462 0.2603 1.3245 11.6205 2.7595 0.3009 3.1889 5.0314 2.7555 2.1995 0.2745 0.1229 12.4355 7.1259 1.3436 15.7160 36.4182 2.6190 6.5441 21.5395 0.4033 0.1543 3.8581 10.3846 1.1777 7.1519 218.9807 19.9957 3.8165 100.4242 1.7664 21.9106 0.0403 4.5242 28.1884 0.6956 6.4523 2.1531 5.7118 11.2866 15.1351 22.3367 11.4659 48.6035 20.2526 39.2251 0.2519 35.0702 2.6755 24.3410 33.7306 59.5811 12.4945 3.2181 0.1613 0.3316 37.1925 10.5255 1.5430 8.2909 4.3349 4.3429 22.3786 4.0927 91.1376 0.7246 1.5842 0.1348 12.0296 2.2796 1.4144 0.3208 0.5796 1.9419 1.2468 1.8493 0.9415 2.2135 8.3881 69.2602 12.5730 1.8422 78.0196 0.5954 0.2266 4.8520 207.2786 3.2113 0.9873 141.5735 29.1364 47.6318 2.6528 11.9608 1.5918 4.7850 85.3268 46.8780 152.0721 104.2018 92.5733 29.6472 14.2821 7.1256 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1.00783 1.00783 1.00783 1.00783 1.00783 4893.3756 46113.0378 50183.6133 0.99999 -0.00409 -0.00046 0.00409 0.99998 -0.00553 0.00049 0.00553 0.99998 1 0.01770 0.00188 0.00173 0.36881 0.03914 0.03596 15.13 15.68 35.50 51.11 52.31 61.19 72.29 86.92 108.36 114.93 126.35 157.53 171.97 181.95 258.14 303.06 306.01 329.97 396.71 424.16 428.67 444.49 481.22 533.89 558.19 606.81 611.15 623.22 654.22 662.12 662.71 663.87 758.17 763.08 764.85 803.03 807.01 825.32 877.07 915.26 945.06 960.71 971.74 979.59 1001.04 1083.78 1096.84 1103.19 1112.79 1115.70 1119.10 1128.52 1165.23 1165.51 1228.45 1231.08 1250.88 1257.60 1305.52 1323.16 1358.91 1372.82 1382.14 1448.54 1468.15 1492.35 1511.24 1513.90 1518.91 1523.66 1546.60 1566.05 1569.94 1572.25 1590.19 1592.95 1594.34 1623.57 1625.96 1629.25 1644.43 1697.90 1701.50 1708.85 1750.64 1752.66 1767.14 1789.97 1811.80 1859.03 1863.60 1876.11 1878.71 1894.51 1919.54 1924.54 1934.67 1988.51 2022.92 2028.44 2101.51 2119.73 2129.74 2135.55 2137.58 2164.19 2231.18 2246.27 2305.58 2318.93 2329.94 2352.24 2399.00 2411.91 2415.37 2423.66 2495.84 2511.11 2569.78 2575.47 2601.47 2616.19 2620.09 2646.89 2829.85 2887.73 4698.10 4771.34 4828.61 4834.93 4844.91 4853.27 4860.43 4871.02 4871.58 4872.75 4885.03 4892.57 4895.47 4900.33 4980.87 5564.50 5633.38 5641.28 0.409870 0.434999 0.435943 0.348390 -1755.016184 -1754.991056 -1754.990112 -1755.077664 2.936508D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2021 DUDE c1ccc(cc1)c2nnc(n2c3ccccc3)SCC(=O)Nc4ccc5c(c4)[nH]c(=O)[nH]5 C03452235 RHF 6-31G(d) (6D,10F) C1 442.121196 |X|Y|Z| 50.792041 19.722716 155.178041 53.768866 30 6 7 16 23 6 1 |36.858105| |13.742360|36.858105| |7.937628|13.775036|36.858105| |6.847302|7.913478|13.683311|36.858105| |7.933691|6.876213|7.934322|13.700545|36.858105| |13.757989|7.947132|6.880441|7.916343|13.755779|36.858105| |4.472591|5.090070|7.734794|12.886979|7.572208|5.041832|36.858105| |3.765203|4.436915|6.476424|7.812907|5.259748|3.980599|14.854344|53.358707| |3.018154|3.400747|4.499952|5.326760|4.129511|3.231682|8.876168|19.019701|53.358707| |2.990544|3.247480|4.190212|5.294032|4.351963|3.320229|8.848489|12.154856|20.234024|36.858105| |3.647999|3.891438|5.160020|7.477284|6.076318|4.240816|13.837082|11.916123|11.903440|13.965740|53.358707| |3.522235|3.548121|4.340074|6.017479|5.881219|4.252024|7.504903|7.271880|7.300315|7.637227|18.146616|36.858105| |3.114237|3.019585|3.505161|4.652275|5.015706|3.831456|5.375898|5.746920|5.932002|5.877405|10.656869|13.750918|36.858105| |2.830810|2.682484|2.979481|3.732032|4.160897|3.446506|3.990643|4.453404|4.548079|4.208315|7.007643|7.957210|13.750895|36.858105| |2.843052|2.693841|2.943472|3.565707|3.929821|3.386075|3.675292|4.112532|4.131782|3.722483|6.185384|6.894262|7.935867|13.752693|36.858105| |3.144402|3.050393|3.389791|4.082648|4.308895|3.667299|4.184398|4.578766|4.523601|4.071906|7.009454|7.961504|6.868192|7.935925|13.743106|36.858105| 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|1.680969|1.790429|2.057245|2.226438|2.024478|1.768479|2.691108|4.038632|5.111345|3.762518|4.054537|2.672806|2.578058|2.279918|2.113130|2.164772|2.416892|34.112446|7.955814|14.026184|14.931242|53.358707| |1.495364|1.581087|1.785699|1.912463|1.765131|1.566572|2.245623|3.310896|3.998208|2.956798|3.342555|2.265859|2.218395|2.013625|1.883747|1.912809|2.087264|25.920834|5.044473|7.614832|11.525988|18.358106|36.858105| |1.408992|1.494929|1.676328|1.769105|1.630542|1.462049|2.047991|3.048814|3.596261|2.583023|2.971301|2.003380|1.952173|1.779404|1.675626|1.707971|1.860161|21.308581|4.025432|5.157071|7.880883|10.866023|13.709572|36.858105| |1.277971|1.348064|1.493901|1.567889|1.459851|1.322770|1.783544|2.620324|3.015980|2.182694|2.574659|1.764100|1.732652|1.603588|1.519554|1.540852|1.655274|17.765313|3.139152|3.877360|6.364000|7.038997|7.849704|13.693177|36.858105| |1.229096|1.287271|1.419854|1.497590|1.407422|1.277857|1.694446|2.451008|2.806518|2.073015|2.472191|1.722834|1.709268|1.600951|1.519792|1.529435|1.624076|17.182568|2.917408|3.680332|6.419667|6.218057|6.901981|8.049465|13.892335|36.858105| |1.285873|1.341822|1.485462|1.582740|1.492271|1.346670|1.802935|2.583481|2.988899|2.254617|2.676657|1.883122|1.881282|1.766618|1.671240|1.672595|1.770216|19.373433|3.249984|4.339158|8.012289|7.039028|8.063453|6.986288|7.942625|13.676503|36.858105| |1.416621|1.482938|1.659841|1.785324|1.671925|1.491336|2.070001|2.978657|3.531644|2.690732|3.119172|2.176225|2.166485|2.006287|1.882547|1.889019|2.022547|24.104023|4.220887|6.297423|11.738744|10.518773|13.634485|7.870968|6.735632|7.845697|13.859728|36.858105| |1.201991|1.245919|1.367648|1.455959|1.386432|1.259913|1.638008|2.316952|2.638187|2.008130|2.432161|1.739658|1.753769|1.673839|1.592352|1.581745|1.649862|17.099369|2.725341|3.477126|6.672807|5.229083|5.136769|4.661153|5.399787|8.564595|13.750875|7.586473|53.358707| |1.203639|1.242176|1.361229|1.455290|1.393586|1.266445|1.633528|2.288809|2.599344|2.003327|2.443958|1.768805|1.796266|1.729873|1.647259|1.625900|1.681923|17.228357|2.666253|3.385197|6.745195|4.856104|4.491978|3.927833|4.281370|5.970121|8.918242|6.581141|26.095748|0.500000| |1.116183|1.157100|1.262216|1.332920|1.270817|1.163588|1.485254|2.105685|2.367497|1.780664|2.176971|1.553790|1.562045|1.495036|1.428968|1.422650|1.480976|14.742427|2.342215|2.865266|5.321947|4.357767|4.150942|4.157976|5.252478|8.368544|8.362793|5.256724|18.856545|0.254659|36.858105| |1.049650|1.084085|1.175453|1.238550|1.187380|1.093301|1.368299|1.928003|2.145441|1.616705|1.999738|1.437981|1.450668|1.400572|1.344406|1.334269|1.378215|13.243950|2.058273|2.456443|4.588212|3.642735|3.300304|3.302940|4.006879|5.545932|5.546222|4.015753|11.242652|0.201389|15.935152|73.516695| |1.130883|1.178718|1.288868|1.354487|1.282694|1.173875|1.513459|2.169578|2.444805|1.812254|2.199051|1.549402|1.545281|1.464545|1.397848|1.400977|1.472046|14.817936|2.421760|2.945466|5.264011|4.686272|4.623031|5.114165|7.517974|13.698104|8.540576|5.366118|11.901321|0.169180|13.882986|14.690993|53.358707| |1.080464|1.126465|1.226758|1.282429|1.215239|1.117429|1.424083|2.043913|2.283460|1.681060|2.052609|1.444564|1.438217|1.365009|1.306283|1.311125|1.376369|13.520157|2.197246|2.603092|4.601309|4.116538|3.891626|4.455459|6.483809|8.885371|5.957992|4.254850|8.291284|0.131086|9.186019|12.899893|26.108712|0.500000| |17.716358|8.907338|5.645528|4.938568|5.643906|8.914837|3.571122|4.242933|3.514098|2.559346|4.128505|2.981542|2.706584|2.526494|2.560620|2.790477|3.034228|15.007483|1.894461|1.656631|2.851822|2.089952|1.379070|1.305937|1.192539|1.149424|1.198940|1.311870|1.532588|0.031333|1.050158|1.762084|1.446928|0.028290|0.500000| |8.907073|17.719735|8.938844|5.637781|4.953861|5.648123|4.147272|5.227943|4.131314|2.857988|4.475678|3.009629|2.597819|2.344794|2.373110|2.675614|3.068392|16.206542|2.106727|1.808695|3.053368|2.302324|1.504371|1.434041|1.298791|1.237634|1.282677|1.409247|1.622864|0.032945|1.112803|1.856565|1.546846|0.030269|0.214605|0.500000| |5.643452|8.909613|17.748170|8.933883|5.652582|4.958342|7.219852|9.668921|6.598043|4.263018|6.659165|3.969015|3.198825|2.722621|2.695110|3.111043|3.885028|21.959677|2.858911|2.336038|3.853864|2.936345|1.863060|1.758707|1.559811|1.471708|1.532271|1.714369|1.908833|0.038595|1.295970|2.139117|1.811211|0.035213|0.124066|0.215058|0.500000| |5.655412|4.956465|5.638876|8.887154|17.750628|8.953026|6.934668|6.638811|5.579018|4.553797|8.854100|6.899198|6.419043|5.133924|4.555437|4.719908|5.639708|24.918694|2.815259|2.367318|4.120309|2.840117|1.818382|1.665248|1.490642|1.445007|1.542771|1.734599|1.955269|0.040274|1.310602|2.176851|1.792159|0.034545|0.124378|0.107587|0.124149|0.500000| |8.912071|5.647504|4.956084|5.640301|8.935761|17.719756|4.101556|4.545997|3.849547|2.947564|5.006001|3.848313|3.669161|3.440478|3.377066|3.516078|3.752148|17.328078|2.092642|1.825929|3.185864|2.258173|1.482420|1.383588|1.259371|1.222928|1.290292|1.422198|1.652923|0.034009|1.123162|1.882888|1.536458|0.029870|0.214763|0.124100|0.107619|0.216658|0.500000| |2.949351|2.868325|3.328770|4.385860|4.689106|3.606529|5.197112|5.821243|6.143359|5.976039|9.810388|8.931706|17.730659|8.886807|5.638525|4.950610|5.641811|40.014043|3.849094|3.265076|5.937421|3.673607|2.310871|2.031087|1.795636|1.766339|1.943104|2.245416|2.453964|0.051151|1.604195|2.641063|2.165878|0.041106|0.071552|0.068926|0.085100|0.167363|0.096447|0.500000| |2.550370|2.397935|2.616679|3.200190|3.589479|3.077264|3.385320|3.910619|4.017264|3.604694|5.682379|5.657692|8.932997|17.727747|8.908643|5.643303|4.949065|26.532041|2.780559|2.560272|4.863734|2.957971|1.944933|1.721849|1.563320|1.570468|1.735597|1.957130|2.256317|0.047798|1.482366|2.478986|1.966562|0.037419|0.064268|0.058865|0.066802|0.121928|0.087313|0.214546|0.500000| |2.566063|2.412036|2.573098|3.016788|3.331993|3.001347|3.052910|3.515665|3.531149|3.087026|4.923062|4.963465|5.646031|8.918622|17.722946|8.915426|5.646126|22.225656|2.411167|2.237908|4.231715|2.629388|1.748704|1.563391|1.431651|1.440909|1.583208|1.764620|2.074204|0.043981|1.373028|2.311126|1.818606|0.034751|0.065570|0.059897|0.065858|0.104885|0.084954|0.123994|0.214798|0.500000| |2.991403|2.911439|3.153415|3.610716|3.760687|3.368035|3.599232|4.063174|3.986772|3.454022|5.683024|5.659457|4.950287|5.644202|8.907611|17.727399|8.937591|23.400848|2.561295|2.309530|4.251879|2.727117|1.790860|1.611103|1.463916|1.455809|1.585497|1.774423|2.052139|0.043062|1.363283|2.282648|1.825470|0.034966|0.075139|0.072267|0.081269|0.109574|0.090196|0.107497|0.124064|0.214813|0.500000| |3.681507|3.882252|4.698761|5.639397|5.060532|4.078543|6.070009|6.355770|6.041340|5.367156|9.809220|8.933570|5.642565|4.949727|5.637872|8.890707|17.735291|31.276694|3.332097|2.795377|4.929932|3.264994|2.068846|1.859388|1.652354|1.610758|1.742695|1.985520|2.202014|0.045562|1.458959|2.411565|1.985058|0.037981|0.087172|0.093468|0.123074|0.138397|0.099896|0.124328|0.107483|0.123996|0.214602|0.500000| |2.152609|2.357039|2.842773|3.120375|2.684629|2.264293|4.091312|6.484481|9.600323|6.765813|6.280846|3.768383|3.341395|2.795649|2.605884|2.794546|3.343122|56.413464|17.612228|8.858904|10.963139|9.705621|4.722695|3.955176|3.086915|2.821584|3.069807|3.880564|3.509994|0.069550|2.249899|3.525043|3.198793|0.059718|0.053364|0.061018|0.084841|0.075688|0.057426|0.094832|0.070766|0.063978|0.070717|0.094977|0.500000| |2.146309|2.306852|2.759806|3.112396|2.746607|2.298708|4.086219|6.492540|9.660275|6.779133|6.272279|3.727563|3.515587|2.877817|2.568162|2.648417|3.121339|56.414488|17.613711|8.859098|10.966378|9.701171|4.722681|3.959324|3.089100|2.821908|3.068302|3.876922|3.507645|0.069484|2.249136|3.523748|3.198860|0.059729|0.053211|0.059138|0.080247|0.079246|0.058833|0.106363|0.074509|0.063072|0.065876|0.085102|0.303583|0.500000| |1.724807|1.854466|2.141889|2.295637|2.061164|1.801141|2.786194|4.301320|5.477007|3.829621|4.091632|2.631106|2.501891|2.192484|2.036723|2.105169|2.376059|32.184501|7.829052|9.491917|10.884022|26.056738|9.339243|7.688826|4.925576|4.110310|4.327312|5.744780|4.516695|0.085203|2.880537|4.340837|4.303665|0.079089|0.043694|0.048842|0.063078|0.058446|0.046657|0.072855|0.057776|0.051582|0.054217|0.066224|0.215021|0.214957|0.500000| |1.451479|1.550918|1.745090|1.828825|1.670802|1.497957|2.122060|3.213294|3.789992|2.649894|3.031623|2.011581|1.941223|1.754378|1.652304|1.695422|1.863303|21.136051|4.088921|4.843870|7.101657|10.057285|8.915413|17.706474|8.943911|5.704438|5.009687|5.617866|5.024444|0.089330|3.402948|5.001186|5.591105|0.104598|0.037320|0.041446|0.051251|0.047088|0.039194|0.056179|0.046935|0.042660|0.044414|0.052091|0.114955|0.115184|0.237225|0.500000| |1.225259|1.294129|1.427049|1.485995|1.383709|1.261453|1.676095|2.469298|2.804384|2.007319|2.390294|1.634806|1.601815|1.485271|1.412147|1.434824|1.539883|15.933175|2.774621|3.269934|5.351552|5.722305|5.607437|8.880558|17.727573|8.896132|5.629668|4.881166|5.940595|0.099263|4.558953|6.520363|8.976009|0.180652|0.031864|0.034799|0.041476|0.039068|0.033373|0.046063|0.040239|0.037043|0.038004|0.042864|0.076826|0.076901|0.116716|0.215695|0.500000| 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