Version2.4 2021-05-27T04:17:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccccc1C(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)[N-]c3c(nccn3)OC C66200586 RHF 6-31G(d) (6D,7F) COc1ccccc1C(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)[N-]c3c(nccn3)OC C01[X(C20H18N5O5S2)] 144 C1 524 COc1nccnc1[N-]S(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccccc1OC COc1nccnc1[N-]S(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccccc1OC COc1ccccc1C(=O)NC(=S)Nc2ccc(cc2)[S](=O)(=O)[N-]c3nccnc3OC InChIKey=SVZKFHKYTCBKRB-UHFFFAOYSA-M InChI=1S/C20H19N5O5S2/c1-29-16-6-4-3-5-15(16)18(26)24-20(31)23-13-7-9-14(10-8-13)32(27,28)25-17-19(30-2)22-12-11-21-17/h3-12H,1-2H3,(H3,21,23,24,25,26,31)/p-1 InChI=1/C20H19N5O5S2/c1-29-16-6-4-3-5-15(16)18(26)24-20(31)23-13-7-9-14(10-8-13)32(27,28)25-17-19(30-2)22-12-11-21-17/h3-12H,1-2H3,(H3,21,23,24,25,26,31)/p-1/fC20H18N5O5S2/h23-24H/q-1 COc1ccccc1C(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)[N-]c3c(nccn3)OC C01[X(C20H18N5O5S2)] 144 C01 524 COc1nccnc1[N-]S(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccccc1OC CO[C]1[CH][CH][CH][CH][C]1C(=O)N[C]([NH][C]1[CH][CH][C]([CH][CH]1)[S@]([N][C]1[N][CH][CH][N][C]1OC)([O])=O)=S CO[C]1[CH][CH][CH][CH][C]1C(=O)NC(=S)N[C]2[CH][CH][C]([CH][CH]2)[S]([O])(=O)[N][C]3[N][CH][CH][N][C]3OC InChIKey=DCHWDBWQFGVGRK-UHFFFAOYSA-N InChI=1S/C20H18N5O5S2/c1-29-16-6-4-3-5-15(16)18(26)24-20(31)23-13-7-9-14(10-8-13)32(27,28)25-17-19(30-2)22-12-11-21-17/h3-12H,1-2H3,(H2,23,24,26,31) InChI=1/C20H18N5O5S2/c1-29-16-6-4-3-5-15(16)18(26)24-20(31)23-13-7-9-14(10-8-13)32(27,28)25-17-19(30-2)22-12-11-21-17/h3-12H,1-2H3,(H2,23,24,26,31)/f/h23-24H 3292.8638984830 -2209.3676952 1-A 29397.6733 123 401 524 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.03561 -91.80271 -20.57704 -20.47933 -20.47352 -20.37631 -20.37363 -15.54535 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335.5135 356.1436 400.8104 405.5069 434.6085 454.8538 456.9358 486.6573 502.8124 513.5608 519.1674 544.1466 578.2009 585.1347 590.5646 609.3028 627.9337 634.6214 637.0444 644.1073 655.3116 662.2912 691.0024 695.7609 727.2961 750.7074 768.9125 774.1198 821.5281 822.8478 846.5722 851.9346 871.7912 873.0015 877.3585 903.9974 926.6508 940.9365 946.9557 966.6320 971.4374 1005.1292 1052.4142 1054.3292 1092.4348 1100.6110 1110.4907 1118.9652 1129.4652 1151.6862 1162.1980 1166.5056 1189.8451 1198.0435 1205.0704 1218.9406 1227.0820 1242.2989 1247.9594 1278.8412 1286.7620 1291.8944 1295.8809 1298.0916 1313.6527 1318.0859 1331.8606 1343.6444 1345.1627 1361.6704 1362.2627 1368.0425 1401.3826 1441.3537 1446.4874 1458.9236 1469.0302 1476.4066 1553.3539 1609.4931 1611.2643 1620.0277 1636.3761 1641.6319 1650.5554 1651.9899 1655.0728 1658.9382 1668.0716 1673.7224 1699.7043 1745.6050 1767.6052 1777.9668 1785.9555 1806.8047 1810.9363 1812.6503 1991.2308 3218.4070 3224.7313 3282.1983 3296.9489 3302.7451 3338.7891 3348.6199 3354.2766 3364.2399 3381.2584 3386.7992 3393.6477 3415.5809 3417.8696 3425.6932 3429.6403 3841.8641 3875.6784 5.6759 5.7761 6.5135 4.9332 5.8092 7.0259 6.9486 7.0717 7.4358 3.6233 6.8999 6.3527 4.2759 8.8090 4.9536 6.2008 4.6682 7.0169 8.2376 5.2141 1.1996 6.7244 1.7019 5.1668 7.3239 2.0115 4.3464 5.3705 4.8587 8.6173 6.4403 6.1812 3.7500 3.0809 3.7399 2.9909 8.7114 1.8148 7.5529 5.0291 8.0590 3.1337 9.1977 5.0932 3.1600 2.3058 4.9926 5.4898 4.4802 4.4701 6.5245 5.9773 5.5688 4.2858 5.5276 4.4416 6.9416 9.9322 1.8716 4.2377 8.7207 2.7666 1.3021 2.6868 1.4139 6.1280 2.1130 1.5280 7.2437 10.8544 1.3274 1.3646 1.3455 1.3531 3.0366 1.3446 3.4008 4.7150 5.9507 1.8998 5.3859 3.1200 3.7236 2.6096 2.0805 4.1235 3.2382 2.4053 1.2603 1.1790 1.2728 1.6572 2.6119 1.5961 2.6226 1.8672 3.1610 2.5665 8.2849 2.5257 1.8736 1.3732 3.1088 3.3491 4.2554 2.6774 1.8570 1.7789 1.9649 1.4402 1.0501 1.0491 3.4875 1.0583 1.2023 1.7877 2.0533 2.0292 7.0785 1.7071 5.7610 3.8890 5.5150 5.2032 6.2382 9.3891 1.0300 1.0325 1.1065 1.1085 1.1064 1.1044 1.0872 1.0917 1.0888 1.0988 1.0952 1.0912 1.0928 1.0944 1.0938 1.0935 1.0769 1.0772 0.0001 0.0003 0.0009 0.0013 0.0025 0.0044 0.0085 0.0099 0.0165 0.0111 0.0317 0.0393 0.0329 0.0915 0.0649 0.0862 0.0705 0.1612 0.2210 0.1545 0.0404 0.2321 0.0703 0.2655 0.4130 0.1203 0.2836 0.3562 0.3631 0.8156 0.6240 0.6879 0.4571 0.3790 0.5219 0.4455 1.3537 0.2882 1.3176 0.9906 1.6257 0.6439 2.0119 1.1832 0.7498 0.5513 1.2204 1.3890 1.1578 1.2576 1.8609 1.8628 1.8491 1.4929 1.9517 1.7662 2.7692 4.1940 0.8003 1.8976 3.9159 1.2547 0.6269 1.3593 0.7376 3.2376 1.1632 0.8496 4.3117 7.0832 0.8693 0.9595 0.9603 0.9831 2.2401 1.0106 2.6576 3.7522 4.7708 1.5847 4.5546 2.6695 3.2597 2.3151 1.8918 3.7837 3.1202 2.3465 1.2393 1.1666 1.2637 1.6849 2.6736 1.6682 2.7896 1.9907 3.4532 2.8062 9.1356 2.9224 2.2933 1.6929 3.8986 4.2583 5.4652 3.8063 2.8343 2.7210 3.0384 2.2721 1.6673 1.6840 5.6077 1.7080 1.9495 2.9307 3.3890 3.4540 12.7082 3.1425 10.7300 7.3085 10.6076 10.0538 12.0764 21.9339 6.2860 6.3257 7.0234 7.0994 7.1109 7.2537 7.1828 7.2369 7.2606 7.4014 7.4013 7.4046 7.5116 7.5326 7.5631 7.5780 9.3648 9.5331 2.9833 1.3679 1.2032 0.5623 0.3149 0.3000 2.2399 4.3440 0.9340 7.7129 1.4812 0.8567 3.5234 1.1560 0.6866 1.3818 0.1878 1.2164 2.9904 1.4427 1.5634 0.9950 0.3594 4.8753 25.9996 1.0092 3.1873 8.2717 2.8793 20.1587 2.8488 3.6969 5.7104 0.3552 0.6650 41.1536 9.9838 69.8743 13.1445 8.2448 30.0551 26.2685 53.0332 92.4628 26.9698 34.1232 26.2843 145.3976 7.0279 40.6476 5.6268 19.5604 17.4313 26.1657 170.7927 8.1689 97.8467 21.9304 99.9123 2.0796 5.1966 8.0960 24.5198 7.3877 8.2494 53.9905 22.7183 4.5802 44.2906 364.9269 1.0310 3.1240 1.9840 0.4833 5.9389 0.2772 27.0665 48.4985 157.1295 4.4530 182.9408 2.5124 138.1222 22.9710 84.7821 64.3911 21.5934 228.1284 3.1447 1.6180 2.5270 86.5002 99.8732 120.7323 262.2114 39.8542 161.9956 625.6160 115.1666 191.4790 398.8512 5.9543 136.8859 265.3082 389.8125 42.5867 211.2166 50.7469 246.3269 17.4113 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 5192.4622 51323.9169 52776.1378 0.99997 0.00743 -0.00149 -0.00741 0.99990 0.01222 0.00158 -0.01221 0.99992 1 0.01668 0.00169 0.00164 0.34757 0.03516 0.03420 7.66 12.56 21.84 29.97 38.62 46.96 65.47 70.05 88.36 103.93 127.11 147.47 164.32 190.99 214.49 221.05 230.31 284.09 307.05 322.62 343.88 348.25 380.82 424.88 445.14 458.40 478.83 482.73 512.41 576.68 583.43 625.30 654.43 657.43 700.19 723.43 738.90 746.97 782.91 831.90 841.88 849.69 876.65 903.46 913.08 916.56 926.73 942.85 952.89 994.20 1001.04 1046.42 1080.10 1106.29 1113.79 1182.00 1183.89 1218.03 1225.74 1254.31 1256.05 1262.32 1300.65 1333.24 1353.80 1362.46 1390.77 1397.68 1446.16 1514.19 1516.94 1571.77 1583.53 1597.75 1609.94 1625.05 1657.02 1672.14 1678.34 1711.92 1723.72 1733.83 1753.78 1765.50 1787.39 1795.54 1839.97 1851.36 1858.75 1864.48 1867.66 1890.05 1896.43 1916.25 1933.20 1935.39 1959.14 1959.99 1968.31 2016.28 2073.79 2081.17 2099.07 2113.61 2124.22 2234.93 2315.70 2318.25 2330.86 2354.38 2361.94 2374.78 2376.85 2381.28 2386.84 2399.98 2408.11 2445.50 2511.54 2543.19 2558.10 2569.59 2599.59 2605.53 2608.00 2864.94 4630.57 4639.67 4722.35 4743.57 4751.91 4803.77 4817.92 4826.06 4840.39 4864.88 4872.85 4882.70 4914.26 4917.55 4928.81 4934.49 5527.59 5576.24 0.399204 0.426856 0.427800 0.332624 -2208.968491 -2208.940840 -2208.939895 -2209.035072 3.192252D-04 MUNgauss RevisionA2.1 retrievium 27-May-2021 DUDE COc1ccccc1C(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)[N-]c3c(nccn3)OC C66200586 RHF 6-31G(d) (6D,10F) C1 472.074938 |X|Y|Z| 44.475792 34.206071 162.015726 62.699107 24 6 7 16 18 5 1 |36.858105| |13.554405|73.516695| |7.929296|25.021719|36.858105| |6.786048|14.154513|13.719705|36.858105| |4.545217|9.275151|7.917863|13.759637|36.858105| |3.791449|8.180014|6.835637|7.936439|13.800439|36.858105| |3.971904|9.343752|7.956151|6.925200|8.006799|13.779779|36.858105| |5.186908|14.294354|13.559669|7.870542|6.820215|7.841615|13.696017|36.858105| 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|1.952370|3.511195|1.760739|1.582773|1.440492|1.429496|1.556820|1.744432|1.920394|3.247562|3.021809|2.524574|17.014401|4.055455|3.762384|4.135171|5.559899|7.381707|5.698513|4.190890|93.519706|73.516695| |1.809871|3.328026|1.701953|1.525431|1.405987|1.415903|1.553710|1.723924|1.929708|3.325454|3.007200|2.582585|18.624800|3.967972|3.709436|4.449992|6.559511|7.387556|4.961289|3.842798|93.625099|13.840697|73.516695| |1.774397|3.282797|1.683245|1.507341|1.392386|1.406388|1.546113|1.712443|1.924463|3.341368|2.982207|2.544667|17.854041|3.990954|3.726991|3.870193|5.020811|7.423300|6.526484|4.457277|85.799558|13.329354|13.228209|53.358707| |1.585738|2.912505|1.507017|1.365040|1.269536|1.281102|1.396326|1.529852|1.697743|2.962590|2.585948|2.160653|15.266846|3.311073|2.953197|3.054820|3.770955|4.915762|4.517165|3.418514|53.225435|10.638455|10.541321|19.340855|36.858105| |1.489246|2.746208|1.434141|1.304259|1.220958|1.236996|1.346155|1.463494|1.621613|2.855013|2.438452|2.018417|14.308561|3.052245|2.648896|2.651311|3.105995|3.896033|3.886372|3.094356|35.041445|7.523016|7.414636|10.880415|13.067126|36.858105| |1.357826|2.491582|1.309296|1.200542|1.129457|1.143287|1.236022|1.333581|1.463945|2.583655|2.177520|1.778367|12.645935|2.653345|2.249437|2.258233|2.594268|3.112247|3.088134|2.565339|27.378875|6.210582|6.141651|7.259968|7.913029|14.901289|53.358707| |1.301942|2.372128|1.245741|1.147541|1.079465|1.088720|1.171503|1.262302|1.376120|2.419514|2.044875|1.661000|11.818941|2.470179|2.085438|2.132741|2.467682|2.896318|2.779422|2.326784|26.445592|6.206511|6.169355|6.419525|7.043231|8.441507|19.075469|36.858105| |1.359113|2.466834|1.287984|1.184273|1.109230|1.115275|1.200618|1.299827|1.416940|2.476697|2.121062|1.730007|12.289225|2.588894|2.211662|2.308986|2.737799|3.219068|2.967245|2.443710|31.654873|7.521181|7.520055|7.295271|8.346497|7.239251|11.036416|14.102012|36.858105| |1.497067|2.724420|1.411651|1.288044|1.199478|1.205639|1.305234|1.424551|1.564568|2.722617|2.370386|1.957903|13.861691|2.970791|2.603361|2.753149|3.388380|4.145417|3.676061|2.903729|46.146582|10.386693|10.425587|11.000852|14.568460|8.051098|9.386618|8.052084|14.171011|53.358707| |1.553819|2.892697|1.513919|1.369624|1.283233|1.306340|1.429781|1.555933|1.738960|3.078630|2.613965|2.175154|15.390325|3.294846|2.854973|2.765726|3.155360|3.991878|4.275289|3.438301|32.004883|6.790822|6.667715|9.755036|8.004461|14.214825|11.409623|5.440220|4.798597|7.292760|73.516695| |1.443277|2.689333|1.421622|1.294674|1.221899|1.247612|1.360023|1.465838|1.628572|2.906176|2.410542|1.976502|14.033262|2.941082|2.466142|2.360747|2.602827|3.137353|3.399462|2.913004|24.065433|5.334335|5.255314|6.394089|5.201366|8.143520|9.844429|4.770643|3.953414|5.511465|24.234500|36.858105| |17.654393|16.988633|5.854845|4.938546|3.637307|3.182428|3.399249|4.371545|4.003243|5.700062|6.423784|3.943711|21.393974|5.773360|3.508143|3.211502|2.719002|2.520396|2.654176|3.100848|14.984583|3.853479|3.502380|2.619845|1.708270|1.590702|1.964380|1.385389|1.454125|2.194596|2.941559|1.523863|0.500000| |17.586823|16.436376|6.918497|6.763395|4.598480|3.727751|3.764040|4.672348|3.861687|5.582144|5.570938|3.308453|18.653101|4.605509|2.820850|2.562290|2.222026|2.105104|2.240381|2.587161|12.798588|3.270450|3.001370|2.291903|1.516057|1.434903|1.788726|1.258705|1.307406|1.948492|2.666672|1.403220|0.300014|0.500000| |17.589667|16.440186|7.027783|6.807789|4.639404|3.772428|3.818908|4.753719|3.925485|5.631269|5.712091|3.416092|19.681428|4.614040|2.841199|2.687461|2.307146|2.121545|2.193701|2.509520|12.900852|3.281370|3.081752|2.271797|1.500558|1.406362|1.753478|1.242299|1.299980|1.942887|2.591354|1.355304|0.299969|0.298399|0.500000| |7.666862|12.784057|8.897451|17.779048|8.969032|5.663694|4.984051|5.611396|4.003210|5.906077|5.122227|2.981908|17.798789|3.856582|2.373443|2.204870|1.921147|1.803077|1.891482|2.158567|11.100400|2.788634|2.655133|2.004498|1.338079|1.275707|1.602091|1.129264|1.167750|1.726393|2.370062|1.259044|0.148701|0.231963|0.228451|0.500000| |3.956898|7.500558|5.647470|8.959860|17.711570|8.914151|5.668287|4.924206|3.541664|5.670867|4.176333|2.510997|15.931479|3.145421|1.976072|1.851756|1.636948|1.545001|1.615126|1.819540|9.643338|2.393240|2.330180|1.765855|1.190293|1.146808|1.450763|1.021748|1.049065|1.537394|2.135267|1.147342|0.089835|0.114369|0.114911|0.217820|0.500000| |3.135085|6.494856|4.933779|5.639404|8.901214|17.732370|8.918690|5.607927|4.159645|7.238685|4.472638|2.700013|17.844733|3.236838|2.021788|1.885477|1.658470|1.563164|1.638789|1.856646|9.700175|2.365524|2.356703|1.794280|1.207861|1.171229|1.479812|1.036181|1.058544|1.550422|2.197221|1.186535|0.075040|0.086475|0.087377|0.124389|0.213700|0.500000| |3.322294|7.570631|5.678125|4.983979|5.674992|8.919546|17.777216|9.033885|7.492976|14.821629|6.637697|3.834255|25.538991|4.271479|2.565011|2.343046|2.006669|1.874400|1.983511|2.307239|11.337598|2.718640|2.749706|2.101271|1.395887|1.351678|1.690016|1.173691|1.199065|1.771557|2.561422|1.375624|0.081865|0.087584|0.088769|0.108133|0.124296|0.214488|0.500000| |6.279173|18.067148|7.464568|4.863501|3.884865|3.883711|4.894421|7.546424|9.460937|10.917014|26.078314|9.386988|38.594407|11.022317|5.107761|4.271933|3.284804|2.960806|3.200915|4.090429|16.565388|4.021003|3.896376|2.946086|1.880114|1.763219|2.146886|1.488436|1.550131|2.359234|3.336508|1.725788|0.173882|0.140748|0.144447|0.119393|0.089507|0.089529|0.121383|0.500000| |4.395752|9.444431|4.229416|3.272716|2.777611|2.784489|3.309499|4.279877|5.345598|7.891505|11.296147|9.569829|38.424143|26.024324|9.300345|5.994442|4.401319|4.109702|4.823816|7.220196|21.274503|5.122492|4.779260|3.783171|2.333262|2.167978|2.579556|1.764501|1.842008|2.858021|4.164498|2.107898|0.137017|0.107869|0.102826|0.085329|0.067425|0.067686|0.087370|0.250830|0.500000| |3.003664|5.877578|2.881121|2.413061|2.148261|2.176026|2.501407|2.962488|3.545925|5.784532|6.234480|6.179664|42.203986|9.664332|8.930719|17.748928|8.903311|5.638241|4.948089|5.648580|27.789628|6.261305|6.932524|4.417883|2.662392|2.337059|2.762266|1.937975|2.095923|3.342922|4.292473|2.100046|0.092139|0.072829|0.079215|0.063989|0.053715|0.054758|0.068264|0.124762|0.152192|0.500000| |2.271876|4.239987|2.126542|1.861653|1.690207|1.701921|1.897412|2.156718|2.465324|4.165406|4.003221|3.598473|25.816686|5.655406|5.656534|8.906625|17.759985|8.966450|5.663432|4.967685|47.718094|9.637509|13.601686|6.310878|3.644800|2.960435|3.425282|2.447884|2.763605|4.648628|5.189537|2.426755|0.069570|0.057266|0.060426|0.050294|0.043218|0.043692|0.052155|0.081131|0.100888|0.214005|0.500000| |2.198720|4.128715|2.073895|1.817369|1.653535|1.667904|1.859991|2.108682|2.414320|4.128142|3.865642|3.358412|21.935019|5.696040|5.640908|4.950177|5.662992|8.958590|17.772150|8.896911|46.602770|10.024766|8.126822|10.181849|5.158702|4.573489|4.796880|3.080412|3.229064|5.439296|9.322912|4.028732|0.067081|0.057964|0.055916|0.049080|0.042308|0.042886|0.051254|0.078282|0.112917|0.107518|0.124792|0.500000| |2.834733|5.584472|2.752535|2.317190|2.073711|2.106586|2.418865|2.842565|3.403941|5.699401|5.757252|5.171461|29.726743|9.908260|8.922325|5.648235|4.962736|5.647839|8.914483|17.696942|27.581600|6.358295|5.723562|5.300936|3.116188|2.934105|3.353878|2.212963|2.280537|3.606780|5.933890|2.916766|0.086354|0.074146|0.069649|0.061475|0.051974|0.053211|0.066352|0.115065|0.207404|0.124288|0.107750|0.213900|0.500000| |1.214882|2.208560|1.165172|1.078958|1.018644|1.027157|1.100694|1.179943|1.279220|2.253519|1.887320|1.520622|10.835184|2.242983|1.867006|1.904132|2.168129|2.489734|2.407278|2.061818|21.928116|5.246675|5.220382|5.071506|5.040772|5.930985|12.468666|17.729624|8.925382|7.742055|7.787357|4.160392|0.035769|0.032730|0.032287|0.029528|0.026865|0.027237|0.030648|0.038176|0.044655|0.048562|0.059975|0.073335|0.054952|0.500000| |1.302892|2.352385|1.229762|1.135992|1.065094|1.068305|1.145186|1.236786|1.339843|2.337978|1.999076|1.619641|11.511587|2.410033|2.038625|2.146963|2.528213|2.887737|2.636621|2.213453|27.854748|6.879561|6.912514|5.879503|5.892438|5.137572|7.779023|8.990951|17.696306|12.595775|6.711399|3.244233|0.038690|0.034821|0.034786|0.031200|0.028060|0.028204|0.031720|0.040709|0.047704|0.054827|0.072040|0.078102|0.057388|0.212380|0.500000| |1.357243|2.530801|1.345939|1.229970|1.166564|1.194393|1.299677|1.392255|1.544526|2.771441|2.269704|1.858366|13.399777|2.726804|2.269604|2.205187|2.429945|2.857094|3.003008|2.612043|22.126427|4.867776|5.028640|5.688901|4.744007|7.178320|9.858258|4.871166|3.920256|5.270857|16.458029|17.582841|0.039636|0.036610|0.035594|0.033191|0.030484|0.031671|0.036643|0.044982|0.053936|0.055151|0.063938|0.095221|0.071987|0.121479|0.090222|0.500000| |1.494833|2.805903|1.487573|1.350126|1.275920|1.308108|1.431961|1.542937|1.724184|3.093008|2.545273|2.089009|14.808485|3.100250|2.576712|2.413793|2.605240|3.117558|3.497096|3.078246|22.639964|5.015566|4.940228|5.807259|4.362254|5.932085|7.024643|3.773741|3.288500|4.691079|17.035560|17.610350|0.043698|0.040439|0.038820|0.036328|0.033194|0.034549|0.040361|0.050333|0.061837|0.059527|0.066547|0.115278|0.087628|0.093494|0.077133|0.298763|0.500000| |1.396680|2.583106|1.364480|1.249602|1.179059|1.198408|1.298658|1.397523|1.537697|2.731214|2.269517|1.838205|12.901183|2.740047|2.272407|2.172860|2.382987|2.850990|3.087766|2.671469|22.110434|5.103954|4.810210|5.661333|4.725655|7.154034|9.854073|4.866565|3.913577|5.257017|16.452870|17.578847|0.040984|0.037913|0.036440|0.033901|0.030859|0.031685|0.036350|0.045456|0.055152|0.054007|0.062006|0.101690|0.074916|0.121488|0.090104|0.301152|0.298631|0.500000| 2206.655311 -11816.006846 4342.436426 -235.316776 -5502.231885 3292.864135 -2209.367750 2.001229 3D4B00000000004A 45126F7D69EB3716 44934362A7194D6A 41D77AAF80000001 B3A67F43F16816C7 43E7F803C392B53C