Version2.4 2021-06-08T05:42:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 15-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccc(cc1)[C@H]2C(=C(C(=O)N2c3nc(c(s3)C(=O)OC)C)[O-])C(=O)c4cc(ccc4C)C C34953245 RHF 6-31G(d) (6D,7F) CCOc1ccc(cc1)[C@H]2C(=C(C(=O)N2c3nc(c(s3)C(=O)OC)C)[O-])C(=O)c4cc(ccc4C)C C01[X(C27H25N2O6S1)] 177 C1 594 CCOc1ccc(cc1)[C@@H]1N(c2sc(c(n2)C)C(=O)OC)C(=O)C(=C1C(=O)c1cc(C)ccc1C)[O-] CCOc1ccc(cc1)[C@@H]1N(c2sc(c(n2)C)C(=O)OC)C(=O)C(=C1C(=O)c1cc(C)ccc1C)[O-] CCOc1ccc(cc1)[C@@H]2N(C(=O)C(=C2C(=O)c3cc(C)ccc3C)[O-])c4sc(c(C)n4)C(=O)OC InChIKey=WEAJNGFWOZWKEA-NRFANRHFSA-M InChI=1S/C27H26N2O6S/c1-6-35-18-11-9-17(10-12-18)21-20(22(30)19-13-14(2)7-8-15(19)3)23(31)25(32)29(21)27-28-16(4)24(36-27)26(33)34-5/h7-13,21,31H,6H2,1-5H3/p-1/t21-/m0/s1 InChI=1/C27H26N2O6S/c1-6-35-18-11-9-17(10-12-18)21-20(22(30)19-13-14(2)7-8-15(19)3)23(31)25(32)29(21)27-28-16(4)24(36-27)26(33)34-5/h7-13,21,31H,6H2,1-5H3/p-1/t21-/m0/s1/fC27H25N2O6S/h31h/q-1 CCOc1ccc(cc1)[C@H]2C(=C(C(=O)N2c3nc(c(s3)C(=O)OC)C)[O-])C(=O)c4cc(ccc4C)C C01[X(C27H25N2O6S1)] 177 C01 594 CCOc1ccc(cc1)[C@@H]1N(c2sc(c(n2)C)C(=O)OC)C(=O)C(=C1C(=O)c1cc(C)ccc1C)[O-] CCO[C]1[CH][CH][C]([CH][CH]1)[C@@H]1N([C]2S[C]([C]([N]2)C)C(=O)OC)C(=O)[C]([C]1[C](=O)[C]1[CH][C]([CH][CH][C]1C)C)=O CCO[C]1[CH][CH][C]([CH][CH]1)[C@H]2[C](C(=O)[C]3[CH][C](C)[CH][CH][C]3C)C(=O)C(=O)N2[C]4[N][C](C)[C](S4)C(=O)OC InChIKey=GXFQWHYPFIYTOR-NRFANRHFSA-N InChI=1S/C27H25N2O6S/c1-6-35-18-11-9-17(10-12-18)21-20(22(30)19-13-14(2)7-8-15(19)3)23(31)25(32)29(21)27-28-16(4)24(36-27)26(33)34-5/h7-13,21H,6H2,1-5H3/t21-/m0/s1 InChI=1/C27H25N2O6S/c1-6-35-18-11-9-17(10-12-18)21-20(22(30)19-13-14(2)7-8-15(19)3)23(31)25(32)29(21)27-28-16(4)24(36-27)26(33)34-5/h7-13,21H,6H2,1-5H3/t21-/m0/s1 4081.0854233017 -1992.6398305 1-A 18892.4250 133 461 594 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1404.5559 1430.9716 1431.5839 1436.0709 1439.5613 1477.2323 1494.1710 1514.4540 1543.5335 1546.7054 1556.4222 1561.3300 1568.5728 1572.4315 1583.5623 1591.4101 1614.0793 1628.4587 1629.6162 1630.2669 1632.4714 1635.6414 1639.8079 1642.7199 1646.0317 1647.4105 1647.9024 1652.0606 1666.1340 1679.8365 1697.6093 1753.8662 1770.8431 1779.9895 1812.7532 1818.7594 1820.1991 1947.6750 1956.5967 2036.5684 3188.4923 3195.3251 3196.6751 3207.0204 3211.1910 3219.5032 3233.6504 3246.3194 3247.9324 3262.2143 3264.2375 3270.3305 3273.9527 3279.6210 3289.5594 3324.2149 3329.0638 3339.8913 3351.2843 3355.2233 3365.1751 3365.6242 3378.6066 3385.6254 3400.5270 5.3843 4.6038 4.6390 3.7698 6.3768 5.7075 5.4772 3.2430 7.5889 5.5869 1.0698 5.3988 6.7467 2.2567 1.5532 1.0979 1.8501 4.2186 3.9209 2.7353 3.3997 4.7361 2.9111 1.7917 5.3750 4.8159 4.8946 6.4703 1.5394 2.8684 5.6955 4.0259 3.9119 5.2078 5.4701 3.6717 8.0427 8.3796 5.7743 6.5577 4.2345 5.7209 3.6517 5.6222 3.2567 4.5100 4.4773 5.8797 3.8165 6.9947 10.5129 2.9359 5.6060 5.1920 5.9184 5.4273 7.1049 6.1348 6.1838 7.2065 4.8971 5.2601 5.5859 4.3157 4.4451 5.1729 7.2981 6.0016 5.6120 7.0440 5.5412 1.1353 1.4474 5.5007 4.1004 1.2917 1.8703 4.6890 2.2700 1.4192 1.9493 2.2293 1.9249 1.4323 1.3505 3.4600 2.7308 1.5038 3.2759 2.3250 1.5203 2.9230 1.5228 1.5805 1.9491 3.6234 2.5440 4.1342 3.4991 5.2433 4.0861 3.2996 1.2706 1.5200 1.3985 2.5139 2.1491 2.1305 3.1114 1.6220 6.2653 2.8799 4.3893 1.0993 1.5429 4.3001 1.4960 5.0716 1.5859 2.0219 1.2421 3.2655 1.6221 1.5010 1.2629 2.5421 1.5586 2.0396 1.2712 1.0717 1.0420 1.2267 1.0461 1.0464 1.1070 1.0484 1.0556 1.2556 2.1931 1.1927 2.6128 1.2641 1.9253 6.8370 5.3567 6.2113 11.8939 5.9821 5.4723 12.7621 11.6716 13.0931 1.0848 1.0365 1.0542 1.0369 1.0394 1.0419 1.1090 1.0294 1.1022 1.1029 1.1026 1.1011 1.1015 1.1022 1.1050 1.1084 1.0877 1.1084 1.0947 1.0920 1.0890 1.0987 1.0894 1.0955 1.0940 0.0007 0.0008 0.0009 0.0014 0.0042 0.0047 0.0085 0.0056 0.0171 0.0145 0.0033 0.0191 0.0265 0.0115 0.0090 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6.3149 6.3629 6.8321 6.3916 6.8505 6.9150 6.9223 6.9385 6.9561 6.9846 7.0454 7.2163 7.1023 7.2849 7.2436 7.2431 7.2663 7.3324 7.3267 7.3984 7.4533 0.2778 0.4389 0.3871 0.2532 0.6284 0.3294 0.8336 0.8068 5.2218 1.8041 0.2158 0.3688 1.7261 0.5830 0.0995 0.4836 1.0678 0.4663 0.6184 1.3660 2.4329 0.7645 1.5016 1.5207 3.3450 3.3010 1.5458 7.5880 0.1519 0.6026 2.3662 2.2228 4.5154 0.5650 4.8995 4.8986 2.2353 1.6620 1.9665 16.6502 0.0757 1.0530 6.2042 9.2818 2.3396 0.7668 0.8265 6.4195 9.3266 2.4178 23.4276 21.9525 3.0555 11.9594 28.1654 15.8433 2.5280 7.7796 2.0353 22.9059 6.3492 0.3035 6.0908 2.9320 15.5611 14.5660 19.3343 42.1547 66.3452 19.2056 25.8255 0.2714 22.0597 12.0925 19.6509 2.8662 49.6351 0.4063 7.8286 6.9605 9.6527 11.9993 0.4063 0.7748 0.3753 15.2865 1.5633 8.1246 49.3855 48.4465 3.0204 31.8362 2.5314 3.2417 20.0629 192.4795 61.9109 96.3274 40.5603 132.1978 62.5812 3.0429 3.2389 4.7534 59.0654 14.9939 1.7626 6.4622 28.8681 38.6589 214.5795 142.1069 500.7582 1.7045 103.4394 985.0098 33.8908 183.2495 65.6287 260.3813 24.4391 604.4800 81.8740 157.3437 15.9302 254.8024 64.9488 21.6656 167.6480 6.3738 2.6219 71.0122 1.7488 4.5462 18.9857 2.5534 2.5889 73.4156 392.3136 88.7282 7.1886 74.6108 85.6845 170.3255 8.2256 21.6835 376.4382 18.7238 81.8918 864.2353 344.4045 478.0867 39.1994 54.7793 27.5744 37.3045 40.1917 22.0278 37.0505 56.5865 32.5341 34.4635 50.6684 17.7026 47.4942 14.1741 54.3594 34.3563 21.8312 28.9544 73.9856 4.5508 15.7076 4.2918 8.6969 15.2722 17.0236 0.9095 2.3965 4.1653 2.0001 1.1349 1.9885 3.3172 3.8556 1.9830 0.3803 0.6076 2.0074 0.3789 0.5874 0.2121 0.6942 1.2341 0.4039 0.6536 1.4049 0.8210 0.4516 1.6852 0.4372 2.4104 1.1684 2.0895 0.9167 0.3763 0.5128 3.6619 2.1034 2.4348 1.4067 1.2809 3.1324 1.0900 0.7152 1.5319 2.4031 1.0376 4.2697 0.4846 1.0909 0.7410 2.4456 4.7896 5.6088 3.2736 0.9261 0.6615 1.1664 14.8208 2.3101 2.7358 1.3968 5.0608 0.6262 1.7295 5.5543 0.6166 6.1688 3.9138 2.3172 1.0783 3.2622 1.6223 3.4874 10.1805 18.0545 5.0091 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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 16281.6711 23544.6046 27746.6509 0.99971 -0.02324 -0.00556 0.02293 0.99844 -0.05098 0.00674 0.05084 0.99868 1 0.00532 0.00368 0.00312 0.11084 0.07665 0.06504 20.97 24.43 26.10 36.64 47.96 54.02 73.64 78.13 88.97 95.52 103.91 111.48 117.37 133.90 142.30 154.10 167.35 179.34 209.68 215.34 223.87 238.65 244.18 268.07 281.86 296.14 327.22 346.70 398.01 405.32 418.52 427.20 445.33 454.77 480.60 504.78 521.65 550.97 557.16 578.41 584.50 630.03 646.62 666.03 671.27 711.59 718.58 726.28 760.71 790.47 811.49 867.17 884.81 933.87 938.45 963.23 1001.34 1035.86 1040.43 1055.61 1097.62 1133.74 1144.47 1183.25 1214.40 1238.11 1241.75 1245.93 1257.67 1274.29 1277.13 1292.59 1311.63 1315.77 1328.57 1331.45 1368.16 1409.49 1460.64 1470.28 1520.59 1524.71 1543.85 1548.95 1571.03 1585.90 1598.86 1623.37 1635.38 1653.31 1683.52 1687.05 1689.19 1691.84 1727.26 1739.77 1760.69 1792.29 1803.64 1825.51 1835.76 1853.65 1868.77 1872.19 1874.57 1889.31 1896.56 1910.13 1930.50 1939.19 1971.65 1997.21 2020.84 2058.85 2059.73 2066.19 2071.21 2125.41 2149.78 2178.96 2220.80 2225.36 2239.34 2246.41 2256.83 2262.38 2278.39 2289.68 2322.30 2342.99 2344.65 2345.59 2348.76 2353.32 2359.32 2363.51 2368.27 2370.26 2370.96 2376.95 2397.20 2416.91 2442.48 2523.42 2547.85 2561.01 2608.15 2616.79 2618.86 2802.27 2815.11 2930.17 4587.53 4597.36 4599.30 4614.19 4620.19 4632.15 4652.50 4670.73 4673.05 4693.60 4696.51 4705.28 4710.49 4718.64 4732.94 4782.80 4789.78 4805.36 4821.75 4827.42 4841.74 4842.38 4861.06 4871.16 4892.60 0.507750 0.541149 0.542093 0.437232 -1992.132080 -1992.098681 -1992.097737 -1992.202598 3.517055D-04 MUNgauss RevisionA2.1 retrievium 08-Jun-2021 DUDE CCOc1ccc(cc1)[C@H]2C(=C(C(=O)N2c3nc(c(s3)C(=O)OC)C)[O-])C(=O)c4cc(ccc4C)C C34953245 RHF 6-31G(d) (6D,10F) C1 505.143334 |X|Y|Z| 97.911244 76.362918 58.943767 76.099942 23 6 7 16 20 2 1 |36.858105| |12.564870|36.858105| |8.094223|13.606203|73.516695| |5.224759|7.982622|24.955288|36.858105| |4.083841|5.252565|14.539720|13.737878|36.858105| |3.196570|3.982399|9.391659|7.940471|13.774242|36.858105| |2.964120|3.768533|8.142636|6.792541|7.873874|13.716163|36.858105| |3.339725|4.508606|9.225668|7.942106|6.916646|8.028212|13.740606|36.858105| |4.401001|6.706013|13.941716|13.720938|7.952107|6.902322|7.862069|13.742992|36.858105| |2.395949|2.904813|5.952256|4.394207|4.976007|7.473235|12.445088|7.503444|4.979192|36.858105| |2.261066|2.675517|5.557414|3.984492|4.796181|7.354257|8.949820|5.601335|4.185501|17.520717|0.500000| |2.201996|2.641173|5.209503|3.682872|3.916015|5.147754|7.386710|6.108340|4.290739|12.553090|0.243119|36.858105| |2.032294|2.417434|4.615575|3.163782|3.226547|3.974664|5.430719|5.138388|3.765520|7.885943|0.166404|13.523574|36.858105| |2.044739|2.431668|4.655838|3.194996|3.270706|4.040434|5.499642|5.148177|3.784868|7.948821|0.169089|8.066721|12.371228|36.858105| |1.894757|2.221475|4.173756|2.781322|2.803116|3.315491|4.218478|4.133855|3.251997|5.387409|0.126042|5.432538|7.787285|16.081736|73.516695| |2.236509|2.685105|5.326818|3.783234|4.055451|5.387910|7.722865|6.215170|4.376268|12.882387|0.252697|8.143310|8.072190|13.608568|14.697049|53.358707| |2.209864|2.614346|5.209001|3.612281|3.926709|5.004727|6.154441|5.112639|3.978628|7.616553|0.193106|5.208246|5.172716|7.803276|11.822271|18.998380|36.858105| |2.128493|2.492768|4.826723|3.232591|3.359785|3.956784|4.663305|4.332962|3.584334|5.194415|0.131637|4.073169|4.322588|6.467466|11.785344|11.032032|14.803870|53.358707| |2.041412|2.336079|4.536544|2.947116|3.110063|3.539754|3.843883|3.544496|3.114619|4.081870|0.110429|3.261851|3.344533|4.479615|8.183439|7.387482|8.671082|19.027864|36.858105| |2.045214|2.316977|4.613616|2.994979|3.309450|3.820417|3.907521|3.415162|3.034282|4.127461|0.118969|3.201014|3.127648|3.964500|6.849184|6.867385|7.821042|11.247970|14.016873|36.858105| |2.162044|2.493729|5.118494|3.473399|4.070768|5.222212|5.342613|4.168710|3.504752|6.057304|0.190888|4.203306|3.847162|4.804787|7.549203|9.578312|10.919558|10.118413|7.489821|10.895820|388.023441| |1.921484|2.121040|4.208766|2.639583|2.924045|3.231791|3.152098|2.803364|2.593764|3.234292|0.094939|2.618072|2.538749|3.048551|5.316738|4.997848|4.917432|6.979158|7.493819|13.052364|48.229622|36.858105| |1.812771|1.975420|3.847757|2.362237|2.550912|2.740574|2.694447|2.474146|2.331151|2.737479|0.078808|2.289410|2.257113|2.684593|4.793468|4.223665|3.981694|5.955315|6.301523|8.026436|34.343092|15.936689|73.516695| |1.910169|2.090330|4.216524|2.634791|3.015365|3.344971|3.126887|2.709013|2.521990|3.196097|0.097422|2.581486|2.435387|2.824893|4.804371|4.667160|4.343623|5.660156|5.260494|8.254105|46.990932|14.302169|15.309055|73.516695| |1.771132|1.897017|3.786884|2.301626|2.599555|2.785100|2.581622|2.289895|2.180996|2.604910|0.078668|2.180615|2.066548|2.337276|4.016488|3.723568|3.287801|4.376245|3.922169|5.258619|31.663955|8.144081|12.932745|24.001990|36.858105| |1.905543|2.144350|4.051421|2.547130|2.606120|2.839566|3.049844|2.952909|2.695152|3.158302|0.084663|2.679943|2.809647|3.616305|6.949698|5.429218|5.338915|10.659986|12.712534|7.419389|33.677782|5.965377|10.941706|7.548794|3.476321|36.858105| |1.871323|2.195551|4.100802|2.727569|2.728866|3.213654|4.118405|4.106717|3.218086|5.275785|0.122001|7.894458|15.782604|8.023062|11.892551|7.443038|4.014812|4.884162|2.875286|2.670045|22.252554|2.225394|3.584541|3.790276|1.843827|2.513192|73.516695| |2.132170|2.516550|4.956863|3.408345|3.648329|4.579948|5.711685|4.910842|3.805168|7.315187|0.182113|13.323427|7.584206|5.085190|6.987888|6.973389|3.825591|4.274231|2.654629|2.663246|24.205288|2.268407|3.566378|4.063222|1.978078|2.243690|10.986905|36.858105| |1.976193|2.300467|4.415173|2.935713|3.044869|3.600587|4.302646|4.013497|3.280781|5.100920|0.129460|8.089730|6.457400|4.316828|6.285439|5.535827|3.172855|3.698817|2.326703|2.307750|20.096692|1.998329|3.191047|3.563022|1.762645|2.017679|11.131010|15.720398|73.516695| |2.195622|2.557099|5.193761|3.549571|4.035729|5.123424|5.570689|4.476643|3.688001|6.343230|0.184981|7.518781|4.938809|3.947234|5.659352|5.900235|3.502592|3.897401|2.513409|2.612946|24.190319|2.276692|3.555282|4.195186|2.057662|2.117839|7.405294|12.483781|14.542211|36.858105| |2.470410|2.886972|5.957719|4.050294|4.602509|5.441412|5.438961|4.607755|4.053351|5.174049|0.144898|5.547447|3.990379|3.344565|4.926452|5.039774|3.118355|3.558060|2.331301|2.425399|21.829686|2.147676|3.381280|3.969614|1.971970|1.991326|6.165231|7.584695|10.820019|13.776913|36.858105| |2.436898|2.756274|5.762921|3.735186|4.388827|4.847338|4.357475|3.731318|3.499125|4.058021|0.119397|4.056530|3.135035|2.766114|4.195926|4.201690|2.735520|3.171831|2.138951|2.265848|20.081365|2.059088|3.253213|3.878692|1.959976|1.843169|4.949916|4.997451|7.698252|7.846584|13.682758|36.858105| |2.141260|2.373969|4.924621|3.141241|3.750814|4.243170|3.787939|3.172246|2.941768|3.755324|0.116910|3.690087|2.911713|2.618620|4.013588|3.989336|2.650921|3.068098|2.100457|2.263500|20.185839|2.084419|3.281179|3.998471|2.034693|1.806176|4.616802|4.431111|6.881149|6.865537|8.010119|13.772117|36.858105| |1.952087|2.176781|4.458652|2.884343|3.417692|4.078969|3.824928|3.123250|2.787944|4.133281|0.135049|4.129538|3.224064|2.876899|4.377567|4.372009|2.870953|3.273147|2.227551|2.410168|21.975867|2.198788|3.435080|4.223939|2.126861|1.896474|5.073848|5.011272|7.617821|7.969305|6.950945|7.915391|13.717445|36.858105| |1.967011|2.236052|4.538482|3.013969|3.503461|4.389201|4.466116|3.569897|3.035806|5.282877|0.173722|5.672964|4.151566|3.529387|5.210257|5.313298|3.311237|3.693274|2.442469|2.599474|24.243026|2.304103|3.582643|4.335233|2.139806|2.055995|6.376623|7.483594|10.466153|13.600436|7.914218|6.763794|7.867646|13.751533|36.858105| |1.750451|1.975793|3.935574|2.582670|2.930605|3.629597|3.841685|3.144492|2.652505|4.919541|0.163100|5.445280|4.333159|3.719934|5.572614|5.395732|3.374649|3.781768|2.498798|2.647806|24.496455|2.338878|3.641634|4.371209|2.152741|2.104636|6.777275|6.426182|9.673148|7.505896|5.010799|4.400486|5.004159|7.561216|12.590712|36.858105| |2.698669|2.985843|6.234959|3.820860|4.316487|4.256488|3.738896|3.418146|3.438830|3.303450|0.094093|3.257739|2.648449|2.390200|3.702622|3.593773|2.398642|2.854730|1.949188|2.052525|17.552173|1.893487|3.030059|3.553142|1.823684|1.708761|4.264660|3.790706|6.130903|5.006436|7.562006|12.606231|7.532255|5.007682|4.402116|3.261926|36.858105| |17.571057|8.860788|12.966306|4.871433|4.003619|3.130908|2.854358|3.138008|4.019007|2.324809|0.061590|2.155473|1.968104|1.953282|3.201908|2.905584|2.092482|2.712339|1.911764|1.935066|14.738259|1.826869|3.053071|3.268122|1.713494|1.774174|3.229236|2.126827|3.517263|2.227471|2.550666|2.568418|2.242003|2.010373|1.999645|1.761401|2.934806|0.500000| |17.571095|8.860893|12.966020|4.873551|4.005252|3.132665|2.855858|3.138314|4.019791|2.326046|0.061615|2.105123|1.948391|1.990022|3.296481|2.989397|2.213069|2.921308|2.093284|2.112942|15.652724|2.010725|3.388405|3.558527|1.868613|1.963086|3.177925|2.020803|3.312026|2.089681|2.319925|2.308083|2.065366|1.895108|1.899773|1.703039|2.523504|0.301019|0.500000| |17.542609|8.860002|10.257631|4.233653|3.383232|2.771395|2.643963|3.006488|3.847332|2.187987|0.057126|2.044011|1.916094|1.925113|3.204377|2.817994|2.041397|2.708764|1.907032|1.889391|14.032314|1.777851|3.009273|3.118462|1.634231|1.805296|3.174594|1.980839|3.305387|2.012074|2.239695|2.193465|1.939566|1.783712|1.806558|1.624408|2.410770|0.300261|0.300247|0.500000| |8.851747|17.535295|16.538424|7.087182|4.789591|3.814080|3.744864|4.614251|6.799413|2.916429|0.073775|2.735861|2.504349|2.458770|3.975819|3.625176|2.527229|3.261029|2.210538|2.176708|16.852067|1.978289|3.273077|3.465833|1.767574|2.028542|4.082009|2.647444|4.355878|2.662203|3.046152|2.862016|2.418798|2.209567|2.287267|2.010095|3.127706|0.212110|0.173422|0.212605|0.500000| |8.851376|17.535324|16.539278|7.094266|4.792685|3.817442|3.748404|4.615396|6.803552|2.918959|0.073821|2.635204|2.464191|2.533258|4.161242|3.791937|2.748479|3.644194|2.505549|2.439593|18.259300|2.217994|3.696643|3.817912|1.939231|2.325789|3.979972|2.451094|3.983464|2.436019|2.674290|2.514490|2.201350|2.059362|2.141309|1.924754|2.643476|0.173417|0.212112|0.212582|0.301337|0.500000| |4.102264|4.861739|13.443494|8.964757|17.726549|8.878445|5.610333|4.975402|5.663149|4.058512|0.113835|3.302702|2.770816|2.808713|4.368044|4.642552|3.394289|4.032405|2.836682|3.084423|26.309665|2.832665|4.422419|5.325733|2.643945|2.414409|4.249255|3.166593|4.800116|3.595492|4.129475|4.243155|3.739378|3.322858|3.258277|2.731377|4.363278|0.115200|0.115224|0.092969|0.120249|0.120283|0.500000| |2.807632|3.331924|7.609090|5.659825|8.976071|17.714714|8.921353|5.681946|4.967184|6.937784|0.226498|4.827519|3.720061|3.785443|5.578361|6.867088|4.841212|5.132347|3.478138|3.930677|40.417133|3.391071|5.023884|6.506058|3.029653|2.765655|5.390348|4.433885|6.188433|5.293614|5.386433|5.100482|4.805736|4.731073|4.922676|4.026809|4.275002|0.077486|0.077497|0.068267|0.088639|0.088660|0.215344|0.500000| |2.985419|3.913618|7.450652|5.660494|4.975509|5.684454|8.941359|17.725504|8.969502|6.987471|0.140731|6.556547|6.122149|6.014312|8.528175|8.794956|5.018686|6.004327|3.484584|3.233687|27.198856|2.640262|4.196723|4.462773|2.133623|2.960044|8.727071|5.022116|7.550050|4.199293|4.144545|3.320091|2.867134|2.880963|3.357670|3.061156|3.028640|0.077730|0.077677|0.076869|0.114140|0.113973|0.107921|0.124568|0.500000| |4.678901|7.425062|12.446788|8.856650|5.639263|4.970611|5.632766|8.963502|17.755350|4.084486|0.096413|3.740746|3.453423|3.456621|5.450308|5.148203|3.469319|4.437031|2.850438|2.718925|21.455560|2.354339|3.833817|4.026882|1.987006|2.549140|5.440057|3.369336|5.369772|3.191275|3.481761|3.040847|2.580939|2.451833|2.659570|2.366726|3.050552|0.114934|0.114894|0.118170|0.226907|0.226603|0.124148|0.107821|0.218256|0.500000| |1.621139|1.731956|3.410919|2.067125|2.298074|2.468646|2.339371|2.097089|1.987672|2.402905|0.072113|2.049965|1.971129|2.232866|3.894685|3.481744|3.051495|4.141936|3.722584|4.775879|28.095971|7.198681|12.899882|16.451859|17.625504|3.420645|3.157305|1.862271|2.976715|1.917565|1.824244|1.805228|1.878169|1.978573|2.001686|2.046380|1.677270|0.043577|0.047272|0.041895|0.045158|0.049306|0.064353|0.073918|0.055046|0.050795|0.500000| |1.831808|1.944790|3.866316|2.314308|2.581799|2.691485|2.481771|2.242457|2.175695|2.443189|0.072449|2.055224|1.953461|2.203018|3.799744|3.486777|3.059946|4.155254|3.730669|4.777918|28.112805|7.200228|12.886758|16.452095|17.625649|3.428935|3.112576|1.868817|2.974294|1.939272|1.884049|1.876687|1.925786|1.982472|1.989268|1.976312|1.771939|0.048984|0.054255|0.046957|0.049885|0.055481|0.073541|0.079794|0.057896|0.055412|0.300450|0.500000| |1.754666|1.869494|3.761529|2.279576|2.615229|2.801314|2.546689|2.234947|2.134088|2.566430|0.078766|2.158690|2.017449|2.238175|3.800984|3.565399|3.059842|3.958002|3.391829|4.429011|29.641806|5.939565|9.237453|16.963867|17.649659|2.977019|3.201799|1.987997|3.147027|2.104650|2.023612|2.040973|2.149178|2.244802|2.219257|2.220242|1.896772|0.047601|0.051329|0.044804|0.048511|0.052472|0.075075|0.086488|0.057483|0.053768|0.298615|0.298646|0.500000| |2.031116|2.297944|4.280027|2.673977|2.664957|2.841826|3.072376|3.082739|2.864435|3.077577|0.080683|2.633019|2.768278|3.522392|6.751327|5.219519|4.908191|9.634215|9.003110|5.864097|29.771145|4.855924|8.892708|6.534814|3.087703|17.555358|4.426837|2.208604|3.546725|2.075044|1.976250|1.824020|1.765550|1.832386|1.984111|2.002611|1.708604|0.051945|0.058187|0.053709|0.060119|0.070447|0.068131|0.075163|0.086383|0.076427|0.083086|0.086674|0.074754|0.500000| |1.825950|2.021837|3.826456|2.365440|2.441403|2.621578|2.732147|2.624496|2.445052|2.797773|0.076606|2.388786|2.462324|3.054042|5.753643|4.599603|4.382970|7.738919|8.856233|6.949637|30.625950|6.729376|14.357670|8.137760|3.866162|17.685624|3.949170|2.043269|3.281609|1.961303|1.856847|1.743116|1.721726|1.801685|1.925727|1.968340|1.626102|0.047374|0.052717|0.048050|0.052820|0.060549|0.064026|0.071946|0.072054|0.064280|0.107675|0.107792|0.089266|0.299128|0.500000| |1.758206|1.972972|3.693440|2.317787|2.360361|2.588102|2.823767|2.747486|2.481593|3.009292|0.080387|2.632326|2.834835|3.677509|7.412567|5.235604|4.907782|9.631181|9.013156|5.857899|29.767315|4.830886|8.839708|6.503533|3.071322|17.559450|4.583663|2.204078|3.561107|2.052103|1.910722|1.759893|1.729272|1.829811|1.998240|2.077252|1.624790|0.045704|0.049897|0.046591|0.052488|0.059134|0.060691|0.070253|0.078152|0.065802|0.085931|0.082866|0.074404|0.303127|0.298957|0.500000| |2.704153|3.232095|6.575982|4.511945|4.791002|5.360915|5.633679|5.227090|4.683815|4.986254|0.129828|5.475947|4.058328|3.369383|4.977633|4.982036|3.061129|3.550003|2.304831|2.354739|20.710985|2.076294|3.295284|3.781002|1.880797|1.987599|6.343025|7.121112|10.757044|8.982472|17.695625|8.916818|5.677280|4.990678|5.643425|4.090994|7.037904|0.077474|0.069216|0.068216|0.097523|0.082417|0.115726|0.135819|0.131009|0.112573|0.048392|0.050394|0.053108|0.055472|0.051223|0.052950|0.500000| |2.065828|2.242093|4.632478|2.867569|3.401012|3.680803|3.231977|2.771428|2.638836|3.159895|0.097664|3.064569|2.506313|2.301258|3.589426|3.488472|2.376059|2.795397|1.945008|2.107323|18.368323|1.977874|3.135733|3.827874|1.982098|1.690064|4.027421|3.543263|5.669174|4.945548|5.665717|8.916500|17.682205|8.918921|5.622638|4.092416|6.952958|0.060611|0.055717|0.052005|0.062981|0.057547|0.097683|0.115682|0.069777|0.065092|0.050820|0.052303|0.058717|0.045890|0.045154|0.044879|0.124326|0.500000| |1.788463|1.967366|3.995323|2.539574|2.984567|3.491044|3.268866|2.712059|2.447621|3.567783|0.117200|3.523231|2.873913|2.625660|4.072604|3.959071|2.667552|3.078909|2.129306|2.324520|20.872912|2.156414|3.379660|4.190626|2.137098|1.824306|4.588981|4.077524|6.418691|5.653870|4.989714|5.645023|8.935214|17.682615|8.940428|7.032393|4.088190|0.051088|0.048622|0.045607|0.055068|0.052019|0.082044|0.113139|0.070181|0.060481|0.055567|0.054921|0.063319|0.048612|0.048541|0.049049|0.108118|0.216576|0.500000| |1.676269|1.891088|3.705880|2.413716|2.661452|3.217453|3.506481|2.991309|2.525890|4.453801|0.136372|5.415540|4.537598|3.699773|5.605107|5.062464|3.115496|3.571180|2.337522|2.420488|21.646924|2.137108|3.372165|3.927725|1.949538|2.000610|7.448360|6.756254|11.336776|6.790947|4.634042|3.958818|4.278496|5.839922|8.856693|17.572917|3.026658|0.046798|0.045053|0.043556|0.053950|0.051327|0.068533|0.095401|0.083084|0.063624|0.051907|0.050101|0.055359|0.053184|0.051764|0.055427|0.109432|0.099080|0.150562|0.500000| |1.778709|2.021412|4.035854|2.679701|3.053298|3.886662|4.223890|3.370715|2.779089|5.870509|0.206382|6.162092|4.943643|4.415648|6.494985|6.558067|4.053380|4.408829|2.877568|3.062536|29.379720|2.644969|4.062806|4.914543|2.368519|2.372139|7.403658|6.279674|8.994607|6.554491|4.528812|3.923948|4.295638|5.927882|8.801044|17.554616|3.004318|0.049254|0.048329|0.045812|0.056679|0.055284|0.078122|0.120439|0.091502|0.068443|0.062574|0.059826|0.067276|0.062014|0.061149|0.065150|0.106636|0.099898|0.155056|0.303484|0.500000| |1.634657|1.819303|3.615732|2.329550|2.648445|3.192171|3.259894|2.714803|2.352365|3.973351|0.131393|4.177886|3.512554|3.150673|4.875955|4.573918|2.994417|3.426649|2.321398|2.490696|22.526614|2.252829|3.525513|4.271320|2.137325|1.976363|5.642221|4.725364|7.518609|5.556254|4.182050|3.958134|4.764652|7.292135|8.853631|17.556048|3.023347|0.045850|0.044431|0.042203|0.051119|0.049176|0.070118|0.099770|0.073047|0.058761|0.056753|0.054203|0.061932|0.051976|0.051961|0.054219|0.096182|0.113732|0.225226|0.300751|0.301352|0.500000| |2.624457|2.889399|5.803695|3.494249|3.725263|3.655762|3.380586|3.218271|3.257671|3.029219|0.084314|3.100068|2.569444|2.284953|3.564154|3.354529|2.221944|2.676491|1.818579|1.889225|15.898402|1.740932|2.809704|3.231200|1.664830|1.611195|4.217956|3.668556|6.190445|4.594187|6.742154|8.830554|5.847162|4.286311|3.948017|3.020203|17.533899|0.079579|0.067176|0.066176|0.086242|0.071055|0.102277|0.099338|0.081224|0.082558|0.042861|0.045060|0.047782|0.044949|0.042502|0.042817|0.192855|0.150641|0.099291|0.080218|0.076912|0.077555|0.500000| |2.517407|2.701372|5.599836|3.326108|3.783153|3.692614|3.206370|2.924576|2.960715|2.892542|0.083855|2.820767|2.343739|2.150273|3.373551|3.228521|2.197477|2.637807|1.827495|1.940284|16.399947|1.818232|2.921519|3.445719|1.792189|1.612041|3.804012|3.216891|5.268104|4.156152|5.569390|8.830780|7.218717|4.733646|3.936468|3.011701|17.555062|0.076612|0.066322|0.062665|0.077273|0.066760|0.110815|0.106256|0.072638|0.073841|0.045802|0.048410|0.052241|0.044614|0.042967|0.042570|0.140789|0.220599|0.112849|0.077200|0.076915|0.079892|0.301593|0.500000| 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