Version2.4 2021-05-28T19:42:37Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 08-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN(C)c1ccc(cc1)NC(=O)CSc2nc3cc(ccc3c(=O)n2CCCOC)C(=O)[O-] C13047323 RHF 6-31G(d) (6D,7F) CN(C)c1ccc(cc1)NC(=O)CSc2nc3cc(ccc3c(=O)n2CCCOC)C(=O)[O-] C01[X(C23H25N4O5S1)] 168 C1 549 COCCCn1c(SCC(=O)Nc2ccc(cc2)N(C)C)nc2c(c1=O)ccc(c2)C(=O)[O-] COCCCn1c(SCC(=O)Nc2ccc(cc2)N(C)C)nc2c(c1=O)ccc(c2)C(=O)[O-] COCCCN1C(=O)c2ccc(cc2N=C1SCC(=O)Nc3ccc(cc3)N(C)C)C([O-])=O InChIKey=VUENKSYGQZSZNI-UHFFFAOYSA-M InChI=1S/C23H26N4O5S/c1-26(2)17-8-6-16(7-9-17)24-20(28)14-33-23-25-19-13-15(22(30)31)5-10-18(19)21(29)27(23)11-4-12-32-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,24,28)(H,30,31)/p-1 InChI=1/C23H26N4O5S/c1-26(2)17-8-6-16(7-9-17)24-20(28)14-33-23-25-19-13-15(22(30)31)5-10-18(19)21(29)27(23)11-4-12-32-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,24,28)(H,30,31)/p-1/fC23H25N4O5S/h24H/q-1 CN(C)c1ccc(cc1)NC(=O)CSc2nc3cc(ccc3c(=O)n2CCCOC)C(=O)[O-] C01[X(C23H25N4O5S1)] 168 C01 549 COCCCn1c(SCC(=O)Nc2ccc(cc2)N(C)C)nc2c(c1=O)ccc(c2)C(=O)[O-] COCCCN1C(=N[C]2[C]([CH][CH][C]([CH]2)[C](=O)=O)C1=O)SCC(=O)N[C]1[CH][CH][C]([CH][CH]1)N(C)C COCCCN1C(=O)[C]2[CH][CH][C]([CH][C]2N=C1SCC(=O)N[C]3[CH][CH][C]([CH][CH]3)N(C)C)[C](=O)=O InChIKey=DGELZMGTYMMRBM-UHFFFAOYSA-N InChI=1S/C23H25N4O5S/c1-26(2)17-8-6-16(7-9-17)24-20(28)14-33-23-25-19-13-15(22(30)31)5-10-18(19)21(29)27(23)11-4-12-32-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,24,28) InChI=1/C23H25N4O5S/c1-26(2)17-8-6-16(7-9-17)24-20(28)14-33-23-25-19-13-15(22(30)31)5-10-18(19)21(29)27(23)11-4-12-32-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,24,28)/f/h24H 3253.2154408996 -1875.2178686 1-A 29156.7030 124 425 549 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.89233 -20.50157 -20.48521 -20.44352 -20.30946 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86.1426 97.3760 98.6844 112.7432 126.5765 133.0546 140.9725 153.2064 174.0056 182.3674 210.7198 238.2334 245.1813 247.5339 270.6853 282.3525 285.8048 305.9292 316.5440 322.8744 333.8548 362.9688 390.7708 400.9708 416.9967 436.1209 445.9833 459.1385 468.9340 493.7415 499.7761 521.7822 537.1906 565.9511 571.8577 593.0697 614.7271 618.7401 638.3459 647.9029 671.6609 698.5394 708.3999 734.9381 740.1392 780.3920 786.1083 813.0289 815.8936 824.4654 862.5703 870.3614 877.0410 887.7239 929.1472 934.1025 953.7605 962.0150 976.0256 977.3213 1019.3393 1032.1710 1042.6418 1054.6168 1059.3497 1074.7848 1078.8844 1099.6967 1113.0244 1115.3151 1124.9468 1133.4708 1166.6074 1170.7231 1183.4768 1204.9077 1216.6666 1224.7251 1227.3604 1260.5615 1273.5172 1289.8482 1292.6175 1294.4501 1295.3007 1296.3788 1305.4256 1312.9315 1319.2101 1347.9811 1357.4881 1361.0554 1374.9687 1393.4456 1395.0167 1414.0655 1432.2508 1446.5109 1453.7818 1459.1615 1480.8708 1493.0962 1517.7979 1520.9466 1560.0019 1566.6528 1570.8403 1593.1119 1593.9794 1596.5449 1623.9814 1633.5635 1636.9491 1640.7284 1645.3383 1646.9439 1647.1378 1653.4262 1656.3574 1659.2782 1670.0613 1685.1694 1695.0759 1719.1862 1751.3130 1793.8791 1798.6993 1818.1775 1825.1922 1918.5387 1931.0693 1967.7441 3137.7892 3146.5013 3150.1903 3171.5683 3180.2345 3211.9027 3239.4481 3240.6027 3246.9930 3273.6114 3275.7919 3292.8387 3294.8227 3294.9379 3302.4085 3323.8998 3336.1101 3347.1271 3379.8251 3382.8561 3387.8261 3419.9872 3426.1943 3461.1058 3862.4124 5.1390 3.5916 5.1193 7.3273 5.8038 5.6303 3.2951 9.8266 4.9518 2.4853 5.4593 4.5206 2.9766 4.0876 6.5422 6.2144 3.7537 5.5932 2.4830 4.1495 4.2325 2.8987 1.8479 1.5170 3.1965 5.3447 2.3753 6.9529 1.1207 6.5457 6.2363 6.5089 6.4794 5.4122 3.7783 3.4814 5.6721 4.3798 3.3508 3.6865 3.5219 3.5453 4.3983 8.4086 4.0994 1.3777 6.0594 5.8834 2.4304 6.1530 2.0191 9.7807 6.7809 5.5293 9.4908 5.5038 6.0242 5.7798 3.6238 1.8520 1.9430 3.6548 7.5299 8.7334 6.1037 1.9685 1.3276 4.9478 1.5822 2.0689 1.7743 1.9689 4.6641 3.3109 1.4763 5.0077 4.3937 1.3902 1.3526 2.6288 5.5161 1.3143 2.5345 1.5367 3.6679 2.1278 2.3572 1.7708 1.2555 2.1293 2.3911 2.3228 3.4111 1.3340 2.0038 1.9673 1.8982 1.1135 1.2116 2.6594 2.0183 2.8811 1.8800 2.3809 2.2462 2.5672 1.8365 1.3815 1.1168 2.9080 1.3961 2.5558 1.9112 10.1966 1.8630 1.3503 2.6224 5.1257 1.4115 1.1863 1.1197 1.1871 1.0492 1.1884 2.7875 1.0486 1.1139 1.0660 1.0611 1.0811 1.0738 1.0683 1.1000 2.2712 2.3455 8.7028 3.5883 6.2949 10.9922 5.5461 11.8169 12.5292 8.9125 1.0573 1.0593 1.0525 1.0418 1.1052 1.1051 1.0800 1.0628 1.0789 1.0606 1.0701 1.0986 1.1017 1.0980 1.1005 1.1062 1.1028 1.0902 1.0947 1.0909 1.0904 1.0938 1.0919 1.0934 1.0783 0.0003 0.0004 0.0012 0.0027 0.0030 0.0038 0.0031 0.0129 0.0101 0.0069 0.0220 0.0198 0.0166 0.0235 0.0490 0.0587 0.0392 0.0655 0.0343 0.0740 0.0829 0.0758 0.0618 0.0537 0.1154 0.2307 0.1116 0.3346 0.0618 0.3864 0.3830 0.4274 0.5029 0.4869 0.3579 0.3567 0.6356 0.5133 0.4162 0.4776 0.5058 0.5217 0.7055 1.4296 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58.6831 96.1886 21.5817 15.8587 118.9404 20.1306 19.9438 26.5619 33.8609 61.9969 44.2188 0.1237 19.3533 20.5852 17.2291 17.4009 7.4318 6.2918 1.4531 1.3867 33.1674 1.3064 1.5922 0.5712 1.9542 0.3120 2.0399 4.2870 3.0525 0.2527 0.4354 0.3575 0.6011 0.0638 0.2700 1.7385 0.6558 1.3978 1.3428 0.1722 1.4013 0.1746 0.8363 0.6427 0.4122 1.4090 1.6086 0.6573 5.0713 0.2608 0.8312 1.3426 2.3142 0.9228 0.6846 0.2967 1.2492 1.5997 1.0121 1.4073 1.0228 0.3672 0.9879 2.6878 0.9736 1.5788 2.2208 2.0894 0.5397 0.1974 3.0293 0.3374 0.4339 5.0775 6.0671 1.6777 7.3131 2.9760 3.0069 3.3596 13.6848 15.3526 2.6466 10.9723 3.7503 0.5224 1.8427 3.4205 30.4365 0.2796 1.1711 2.5623 1.1965 19.9216 6.6157 2.1232 5.9582 4.1890 3.2060 1.0937 0.2510 3.0407 0.0481 8.7702 9.3671 15.8141 4.2153 1.5598 3.1001 6.5090 3.1283 7.1471 26.3070 20.6160 4.2777 5.6744 5.4911 2.0729 9.4469 16.1095 5.3104 14.4164 2.6968 1.5036 20.9394 33.6005 31.9545 23.5207 3.0497 35.9787 100.4452 4.6039 9.7900 27.8550 37.4058 29.9975 4.2555 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7 6 6 6 8 6 6 8 8 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 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 15.99491 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 14751.8666 38508.0182 52224.5385 0.99980 -0.01997 -0.00075 0.01997 0.99979 0.00416 0.00067 -0.00418 0.99999 1 0.00587 0.00225 0.00166 0.12234 0.04687 0.03456 14.65 20.20 28.92 35.84 42.34 49.01 57.77 67.87 84.74 98.74 119.09 123.94 140.10 141.98 162.21 182.12 191.44 202.83 220.43 250.36 262.39 303.18 342.76 352.76 356.15 389.46 406.24 411.21 440.16 455.44 464.54 480.34 522.23 562.23 576.91 599.97 627.48 641.67 660.60 674.69 710.38 719.07 750.73 772.90 814.28 822.78 853.30 884.46 890.23 918.44 932.19 966.37 1005.04 1019.23 1057.41 1064.90 1122.81 1131.03 1169.77 1173.89 1186.22 1241.05 1252.26 1261.87 1277.24 1336.84 1343.97 1372.25 1384.12 1404.28 1406.15 1466.60 1485.06 1500.13 1517.36 1524.17 1546.38 1552.27 1582.22 1601.39 1604.69 1618.55 1630.81 1678.49 1684.41 1702.76 1733.59 1750.51 1762.11 1765.90 1813.67 1832.31 1855.80 1859.79 1862.42 1863.65 1865.20 1878.22 1889.02 1898.05 1939.44 1953.12 1958.26 1978.27 2004.86 2007.12 2034.52 2060.69 2081.21 2091.67 2099.41 2130.64 2148.23 2183.77 2188.30 2244.49 2254.06 2260.09 2292.13 2293.38 2297.07 2336.55 2350.33 2355.20 2360.64 2367.27 2369.58 2369.86 2378.91 2383.13 2387.33 2402.85 2424.58 2438.84 2473.53 2519.75 2580.99 2587.93 2615.95 2626.04 2760.35 2778.38 2831.14 4514.58 4527.11 4532.42 4563.18 4575.65 4621.21 4660.84 4662.50 4671.70 4710.00 4713.13 4737.66 4740.51 4740.68 4751.43 4782.35 4799.92 4815.77 4862.81 4867.18 4874.33 4920.60 4929.53 4979.76 5557.15 0.495048 0.525509 0.526453 0.426332 -1874.722820 -1874.692360 -1874.691416 -1874.791537 3.358075D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE CN(C)c1ccc(cc1)NC(=O)CSc2nc3cc(ccc3c(=O)n2CCCOC)C(=O)[O-] C13047323 RHF 6-31G(d) (6D,10F) C1 469.154567 |X|Y|Z| 88.954259 144.184232 21.313384 64.900141 20 6 7 16 16 3 1 |36.858105| |13.181458|53.358707| |7.925372|17.867105|36.858105| |7.814578|18.214277|7.896774|36.858105| |6.563408|10.460297|5.584525|13.746388|36.858105| |4.462504|6.914281|4.138605|7.852180|13.711651|36.858105| |3.755158|6.123026|3.812837|6.774520|7.931360|13.743952|36.858105| |3.960907|7.016776|4.373220|7.898952|6.937112|7.967704|13.667060|36.858105| |5.201110|10.711060|6.140845|13.681682|8.016499|6.888016|7.902475|13.830943|36.858105| |2.947687|4.597007|2.997053|4.515135|5.117887|7.711328|13.518115|7.964093|5.191789|53.358707| |2.614212|3.906675|2.583886|3.647194|4.298740|6.250732|7.615565|5.145673|3.888884|19.043151|36.858105| |2.682085|3.894580|2.565973|3.590318|4.475198|6.548088|6.499258|4.433862|3.598205|11.438065|15.908993|73.516695| |2.182932|3.242653|2.192705|2.898296|3.229619|4.205917|5.055295|4.026016|3.149354|10.854386|12.547020|14.132600|36.858105| |1.921499|2.773061|1.892622|2.397641|2.699869|3.359454|3.638727|2.991472|2.500580|6.520988|6.960427|11.699512|10.541397|388.023441| |1.673025|2.422794|1.674641|2.052921|2.230627|2.662802|2.939722|2.570316|2.177579|5.083933|4.635931|7.417573|7.021039|75.805792|36.858105| |1.672657|2.450950|1.699084|2.079278|2.216197|2.630324|2.996951|2.688950|2.252705|5.240787|4.484052|6.788136|6.976025|51.411073|15.109228|53.358707| |1.505308|2.198993|1.537209|1.834297|1.924688|2.224563|2.505431|2.320207|1.986910|4.179593|3.396671|5.308193|4.655794|34.343018|8.329178|18.627808|36.858105| |1.479067|2.177457|1.529502|1.807276|1.862111|2.124919|2.425496|2.313440|1.985883|3.981493|3.076033|4.752047|4.020384|26.932126|5.371953|10.795489|13.673223|36.858105| |1.342093|1.965360|1.389046|1.608565|1.645332|1.844615|2.072482|2.004345|1.756261|3.295776|2.515938|3.985472|3.116210|21.506204|4.058985|7.067571|7.913605|13.817191|36.858105| |1.250904|1.814803|1.283986|1.475655|1.519432|1.695378|1.870040|1.792977|1.589196|2.940931|2.283256|3.701186|2.787063|20.341239|3.879102|6.226653|6.871395|7.935114|13.562453|36.858105| |1.265310|1.825325|1.287304|1.488495|1.550683|1.741858|1.902904|1.793869|1.587978|3.012360|2.399733|3.936758|2.965838|22.933617|4.623872|7.016587|7.890260|6.852381|7.890725|13.887678|36.858105| |1.380182|1.994525|1.398760|1.644598|1.731405|1.976285|2.170163|2.009365|1.754757|3.518631|2.879906|4.684273|3.727482|30.053289|7.001323|10.705794|13.688309|7.902556|6.833107|7.941635|13.603089|36.858105| |1.381140|1.977834|1.383495|1.630069|1.739895|1.992363|2.144706|1.951027|1.713630|3.460764|2.921947|4.904609|3.724679|33.678314|7.896788|9.194023|7.752033|5.096711|4.488791|5.096636|7.660555|13.082354|36.858105| |1.285461|1.827734|1.282268|1.492281|1.591384|1.800321|1.909809|1.746959|1.555495|3.014999|2.519292|4.321128|3.066519|27.392100|5.441181|6.446255|5.313765|3.993635|3.774789|4.482535|6.609049|8.050588|15.812086|73.516695| |1.514884|2.168729|1.507346|1.807765|1.959622|2.286297|2.454412|2.177233|1.891514|4.047167|3.579543|6.056376|4.735763|50.220923|13.807661|11.061068|6.973237|4.618557|3.818396|3.962036|5.133131|7.902806|13.612830|15.036205|53.358707| |1.491431|2.109093|1.464816|1.747305|1.916939|2.222828|2.315928|2.035677|1.794956|3.721620|3.327775|5.955542|4.060358|45.226921|7.613454|7.045812|4.539765|3.408493|2.965189|3.109056|3.873737|5.084751|7.829458|12.750195|17.706508|36.858105| |1.468150|2.054992|1.414607|1.693307|1.859318|2.138656|2.202694|1.942100|1.728076|3.480760|3.070423|5.577680|3.596014|37.180153|5.644213|5.774645|3.818859|3.005297|2.669975|2.803681|3.412763|4.225611|5.888894|10.407567|10.402921|12.470077|36.858105| |1.417747|1.962292|1.354049|1.601526|1.767502|2.005693|2.017641|1.781588|1.610491|3.102692|2.704148|5.076178|2.991554|29.278454|4.043449|4.395674|2.952674|2.436061|2.213724|2.323646|2.748499|3.219769|4.184607|7.823011|6.772663|7.570493|12.540686|36.858105| |1.381063|1.896964|1.302316|1.537958|1.691100|1.898557|1.899106|1.690198|1.541044|2.878136|2.460016|4.613247|2.663526|24.490430|3.364676|3.828650|2.611117|2.212800|2.035673|2.131092|2.471971|2.814925|3.472501|6.483990|5.331763|5.107390|8.033208|13.635548|73.516695| |1.322507|1.801656|1.240865|1.447299|1.591353|1.762993|1.740063|1.556897|1.436854|2.588253|2.181950|4.137890|2.299865|20.408115|2.751920|3.210601|2.207393|1.912399|1.779199|1.858866|2.120540|2.360345|2.827302|5.312991|4.243599|3.926437|5.215667|8.146824|24.383910|36.858105| |1.300735|1.912744|1.359231|1.552750|1.565001|1.730619|1.949562|1.929907|1.707926|3.035639|2.249430|3.566921|2.682043|17.901618|3.133630|5.241705|4.967121|7.481533|12.254986|7.414198|4.964939|4.387016|3.285407|5.147462|3.987105|2.395765|2.203688|1.880752|3.122421|1.560538|36.858105| |1.380696|2.048060|1.455659|1.668391|1.666402|1.842446|2.105814|2.114931|1.859750|3.280176|2.377109|3.716737|2.815615|18.024356|3.058014|5.182866|4.580704|6.887800|8.105352|5.254282|3.998897|3.821594|2.972859|4.624495|3.763092|2.280151|2.102962|1.804659|3.004050|1.506626|15.497830|73.516695| |1.200436|1.755019|1.251439|1.411857|1.421537|1.557388|1.731858|1.717342|1.540222|2.655443|1.971972|3.175898|2.304051|15.721531|2.706054|4.334727|4.006364|5.293467|8.113269|6.857278|4.590966|3.827099|2.972384|4.823795|3.555434|2.189110|2.034121|1.759833|2.940906|1.481131|15.502718|15.155604|73.516695| |17.435670|12.148704|7.013420|6.625750|6.504571|4.449293|3.600605|3.627608|4.502217|3.901710|2.601478|4.847246|2.162125|13.736623|1.668469|2.250960|1.485255|1.449431|1.315391|1.232049|1.252403|1.368501|1.378777|2.287724|2.065703|1.506346|1.479343|1.439105|2.485218|1.345198|1.268479|2.381764|2.084571|0.500000| |17.599488|12.466762|5.704285|7.252501|6.645076|4.651383|3.870694|3.990652|5.044694|4.149105|2.716125|4.977311|2.256962|14.143329|1.722998|2.338138|1.541297|1.509514|1.366910|1.274981|1.292532|1.413221|1.417337|2.343844|2.121738|1.537091|1.526465|1.473273|2.566702|1.380618|1.320532|2.488447|2.164612|0.299915|0.500000| |17.562559|12.533188|7.212825|5.713097|4.800610|3.572580|3.142564|3.367623|4.322539|3.476014|2.285773|4.140111|1.952846|12.339702|1.532886|2.092138|1.396719|1.379225|1.260871|1.177657|1.187351|1.286367|1.284227|2.133888|1.902371|1.375785|1.357187|1.313786|2.283395|1.234465|1.229216|2.318160|2.026045|0.301314|0.301540|0.500000| |7.262489|12.465506|17.560964|5.727160|4.378479|3.398994|3.169164|3.593635|4.785728|3.512545|2.263195|4.002547|1.957351|12.180995|1.532705|2.117042|1.420007|1.417235|1.297209|1.203307|1.203960|1.299831|1.285056|2.127860|1.893023|1.354442|1.314148|1.262682|2.169473|1.167561|1.275548|2.423580|2.098976|0.175715|0.146592|0.221088|0.500000| |5.704993|12.412889|17.614436|7.301870|5.088389|4.038686|3.953252|4.790657|6.817092|4.255156|2.643622|4.567124|2.265350|13.699483|1.719904|2.398682|1.597376|1.601986|1.453126|1.334526|1.330661|1.444258|1.417581|2.326833|2.095626|1.482875|1.422820|1.352404|2.303206|1.228752|1.429604|2.740014|2.332837|0.142043|0.127427|0.146811|0.301763|0.500000| |6.973770|12.196320|17.434242|6.788563|5.574184|4.160371|3.700946|4.013125|5.194239|4.009285|2.592943|4.656746|2.189567|13.605368|1.680496|2.302677|1.526832|1.508824|1.369803|1.272038|1.281454|1.395200|1.388393|2.292459|2.066035|1.484769|1.427750|1.374237|2.340262|1.258590|1.333164|2.525138|2.185039|0.204213|0.142253|0.171483|0.299844|0.300686|0.500000| |7.234055|9.493303|5.273990|8.907975|17.733613|9.000768|5.668505|4.986890|5.670000|5.659031|3.747721|7.245950|2.889537|17.925059|2.082935|2.782028|1.787436|1.719128|1.530926|1.427381|1.463693|1.628501|1.651727|2.708862|2.529138|1.844475|1.800619|1.736425|2.966662|1.586261|1.453606|2.730143|2.363060|0.228250|0.203480|0.142876|0.119262|0.126166|0.154840|0.500000| |3.883136|5.623721|3.496487|5.624350|8.924606|17.825969|8.929448|5.660851|4.968368|9.512870|6.827532|15.055732|4.425641|26.370332|2.818774|3.689413|2.268910|2.126743|1.843294|1.711104|1.779303|2.034819|2.086672|3.359191|3.309921|2.407863|2.321911|2.195985|3.678373|1.922701|1.708408|3.199087|2.739873|0.111618|0.113519|0.088346|0.082212|0.093711|0.100188|0.218152|0.500000| |3.319576|5.706674|3.743511|5.635940|4.983176|5.653966|8.887522|17.690467|8.971830|10.003780|4.822630|7.088324|4.082170|21.096245|2.636787|3.856583|2.464395|2.508827|2.163854|1.906230|1.884416|2.103464|2.006933|3.175114|3.016574|2.035656|1.932647|1.753553|2.953562|1.522079|2.105855|4.169974|3.302068|0.084644|0.092771|0.081291|0.088554|0.116689|0.095262|0.108063|0.124187|0.500000| |4.807526|9.913128|6.222011|8.927270|5.682294|4.960417|5.634561|8.958955|17.720877|5.739385|3.276969|5.372897|2.781903|15.948583|2.003536|2.847238|1.875765|1.899976|1.697845|1.533033|1.518848|1.661072|1.609642|2.607169|2.388204|1.658802|1.599414|1.491233|2.545858|1.338350|1.673244|3.256990|2.692496|0.112993|0.126927|0.118088|0.141190|0.208378|0.137456|0.124389|0.107796|0.217088|0.500000| |2.710362|4.268050|2.831302|4.062516|4.289556|5.744281|9.341565|7.657625|4.931774|26.047464|9.483709|10.886640|7.865861|32.260546|3.814515|5.638368|3.321658|3.251882|2.654006|2.317308|2.338069|2.723882|2.607685|4.001819|4.078400|2.678589|2.491508|2.191674|3.617993|1.822122|2.463429|4.819476|3.779235|0.072345|0.077389|0.066402|0.068488|0.083644|0.076277|0.098293|0.143092|0.235172|0.116824|0.500000| |2.102931|3.163639|2.182055|2.806886|3.054244|3.871351|4.738488|3.965383|3.100980|9.725914|8.878130|10.964987|17.625420|56.578830|6.687899|10.060679|4.988832|4.423760|3.362329|2.944915|3.086247|3.861401|3.720881|5.411982|6.207634|3.800523|3.252430|2.731794|4.298894|2.111298|2.897476|5.467465|4.370884|0.057867|0.059552|0.052570|0.054080|0.063466|0.060657|0.075662|0.109783|0.115108|0.077111|0.215675|0.500000| |2.130599|3.163459|2.120770|2.807404|3.055887|3.878680|4.745967|3.966719|3.102473|9.778629|8.869071|10.912471|17.624792|56.564853|6.680980|9.994338|4.971383|4.398710|3.350377|2.940441|3.085724|3.860959|3.728751|5.429116|6.215748|3.811435|3.523097|2.885178|4.676390|2.254834|2.885422|5.436312|4.357413|0.057878|0.061730|0.053270|0.052976|0.060963|0.058030|0.075689|0.110089|0.115190|0.077201|0.218015|0.304643|0.500000| |1.572424|2.338282|1.640787|1.953720|1.995643|2.284610|2.665355|2.575586|2.181421|4.418559|3.311454|4.987092|4.322079|26.647598|4.904550|9.863610|8.884328|17.773172|8.991950|5.651564|4.945671|5.629562|4.141652|5.939703|5.469806|3.082449|2.752337|2.269070|3.693492|1.810765|7.012940|13.915151|8.642574|0.042575|0.044526|0.040656|0.042083|0.048071|0.044727|0.050650|0.062680|0.079151|0.058128|0.103440|0.135655|0.134398|0.500000| |1.173831|1.698787|1.206114|1.370811|1.404633|1.552174|1.701117|1.644323|1.472386|2.635036|2.026213|3.313675|2.412203|17.534589|3.191649|4.952173|4.955414|5.675659|8.961288|17.762930|8.908569|5.630411|4.122315|6.844751|4.481385|2.703370|2.483330|2.108091|3.478055|1.728086|7.010856|8.636768|13.959881|0.032105|0.033187|0.030832|0.031539|0.034806|0.033172|0.036784|0.043408|0.048489|0.039680|0.057440|0.070456|0.070368|0.124980|0.500000| |1.195530|1.714292|1.210942|1.389430|1.450059|1.618160|1.746338|1.645240|1.470359|2.729401|2.178835|3.634654|2.629953|20.776904|4.002271|5.694271|5.638029|4.942785|5.607983|8.906502|17.733852|8.921904|7.097541|13.035347|6.383640|3.781476|3.390590|2.784407|4.465674|2.166617|4.046934|5.917460|7.036479|0.032962|0.033921|0.031241|0.031563|0.034640|0.033563|0.038275|0.046108|0.047641|0.039099|0.058175|0.075112|0.075164|0.107425|0.212135|0.500000| |1.583965|2.239238|1.555171|1.866092|2.073441|2.429200|2.504384|2.164182|1.903292|4.037421|3.718427|6.854972|4.445255|53.981445|7.232910|6.689723|4.089973|3.165884|2.726576|2.784431|3.336286|4.276705|5.804164|9.314921|12.461952|17.625236|8.799615|6.892142|8.373830|3.795829|2.249097|3.868575|3.640002|0.044706|0.045264|0.040370|0.039749|0.043631|0.044052|0.055567|0.074231|0.059482|0.048453|0.079186|0.114508|0.110314|0.081796|0.067803|0.089319|0.500000| |1.389129|1.961406|1.373062|1.610201|1.754010|2.005536|2.080317|1.853211|1.650932|3.284147|2.859986|5.121891|3.398149|34.351942|5.806834|5.965588|4.122696|3.179408|2.859098|3.084329|3.899851|4.872906|7.630552|14.754101|12.650090|17.669236|8.854944|6.908133|8.389571|3.800921|2.320765|3.880186|3.826504|0.039049|0.039582|0.035775|0.035413|0.038636|0.038745|0.047097|0.059935|0.051575|0.042660|0.066005|0.091273|0.088890|0.079079|0.075515|0.110013|0.303960|0.500000| |1.379634|1.932787|1.333523|1.582626|1.717706|1.955216|2.028598|1.817256|1.623966|3.183588|2.733777|4.869561|3.210979|30.730968|5.067455|5.519096|3.877484|3.069428|2.789882|3.006822|3.735642|4.510671|6.363685|12.156817|9.514703|8.885346|17.592387|8.925334|12.966954|4.859105|2.286084|3.823121|3.785207|0.038447|0.039829|0.035615|0.034563|0.037344|0.037236|0.046124|0.058178|0.050653|0.042086|0.064218|0.082151|0.089794|0.076721|0.074250|0.105629|0.173622|0.213593|0.500000| |1.571231|2.198400|1.498828|1.824870|2.015747|2.343293|2.417671|2.109145|1.863664|3.858214|3.455966|6.288033|4.051710|42.457058|5.926713|6.074575|3.847550|3.056250|2.665240|2.725102|3.228163|4.020178|5.171516|8.520276|9.402350|8.823163|17.566583|8.932135|13.051229|4.871947|2.216990|3.811769|3.603377|0.043838|0.045688|0.040172|0.038571|0.041802|0.041873|0.054028|0.071031|0.058122|0.047649|0.076217|0.097796|0.112318|0.079189|0.066840|0.086812|0.210039|0.173574|0.302041|0.500000| |1.496363|2.064730|1.423470|1.690295|1.887018|2.151759|2.135591|1.863069|1.685465|3.272047|2.895180|5.592120|3.125046|31.159433|3.959950|4.283309|2.803861|2.332841|2.100709|2.169696|2.524067|2.966729|3.744540|6.749860|6.275035|6.903139|8.823200|17.461548|16.568590|7.314654|1.801057|3.103936|2.983576|0.042451|0.043172|0.038353|0.036756|0.039353|0.040341|0.051792|0.066390|0.050459|0.043073|0.063265|0.078698|0.081759|0.061215|0.054699|0.070085|0.206493|0.170712|0.173787|0.212252|0.500000| |1.327476|1.839023|1.278734|1.491480|1.634754|1.838216|1.851689|1.651580|1.501051|2.827099|2.426963|4.518135|2.684000|25.481619|3.663851|4.069844|2.812986|2.337268|2.159223|2.303226|2.744215|3.145646|4.124542|8.170900|6.294086|6.899253|8.834312|17.470658|16.561524|7.320491|1.836926|3.108945|3.083651|0.037479|0.038115|0.034314|0.033219|0.035541|0.036117|0.044676|0.055492|0.045309|0.038811|0.055840|0.069725|0.071683|0.060017|0.058529|0.078899|0.170582|0.206807|0.213298|0.173947|0.301174|0.500000| |1.291599|1.752481|1.203827|1.401177|1.533841|1.686939|1.663568|1.498329|1.389945|2.455379|2.043918|3.855469|2.138546|18.427317|2.496810|2.971168|2.058255|1.807003|1.691631|1.763278|1.989589|2.187308|2.560538|4.784711|3.776686|3.337024|4.355939|5.863793|16.908503|17.607476|1.496642|2.573079|2.534174|0.036392|0.037582|0.033595|0.031574|0.033055|0.033807|0.042533|0.050821|0.040711|0.036079|0.048141|0.054504|0.058956|0.047722|0.045809|0.056439|0.089150|0.089261|0.117661|0.118090|0.147938|0.147970|0.500000| |1.381723|1.873624|1.289160|1.505825|1.669814|1.850238|1.803956|1.602371|1.482928|2.666587|2.261067|4.368804|2.338361|20.777140|2.695729|3.137038|2.125184|1.847784|1.707651|1.765488|1.997366|2.235672|2.652056|4.887939|4.063586|3.766135|4.732858|7.220418|16.469047|17.489975|1.505379|2.602024|2.531287|0.039254|0.040076|0.035729|0.033643|0.035323|0.036473|0.046548|0.056606|0.043187|0.038200|0.051625|0.059409|0.062892|0.049021|0.045534|0.056164|0.106049|0.100159|0.116655|0.126724|0.217710|0.176470|0.299764|0.500000| 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