Version2.4 2021-06-06T16:11:29Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Sep-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(N=C3C2=C(CCC3)[O-])SCC(=O)Nc4ccc(cc4)C(=O)C)C#N C02309573 RHF 6-31G(d) (6D,7F) CCOc1ccc(cc1)[C@@H]2C(=C(N=C3C2=C(CCC3)[O-])SCC(=O)Nc4ccc(cc4)C(=O)C)C#N C01[X(C28H26N3O4S1)] 180 C1 596 CCOc1ccc(cc1)[C@@H]1C(=C(SCC(=O)Nc2ccc(cc2)C(=O)C)N=C2C1=C([O-])CCC2)C#N CCOc1ccc(cc1)[C@@H]1C(=C(SCC(=O)Nc2ccc(cc2)C(=O)C)N=C2C1=C([O-])CCC2)C#N CCOc1ccc(cc1)[C@@H]2C(=C(SCC(=O)Nc3ccc(cc3)C(C)=O)N=C4CCCC(=C24)[O-])C#N InChIKey=IRZZPKPVPILTCQ-AREMUKBSSA-M InChI=1S/C28H27N3O4S/c1-3-35-21-13-9-19(10-14-21)26-22(15-29)28(31-23-5-4-6-24(33)27(23)26)36-16-25(34)30-20-11-7-18(8-12-20)17(2)32/h7-14,26,33H,3-6,16H2,1-2H3,(H,30,34)/p-1/t26-/m1/s1 InChI=1/C28H27N3O4S/c1-3-35-21-13-9-19(10-14-21)26-22(15-29)28(31-23-5-4-6-24(33)27(23)26)36-16-25(34)30-20-11-7-18(8-12-20)17(2)32/h7-14,26,33H,3-6,16H2,1-2H3,(H,30,34)/p-1/t26-/m1/s1/fC28H26N3O4S/h33h,30H/q-1 CCOc1ccc(cc1)[C@@H]2C(=C(N=C3C2=C(CCC3)[O-])SCC(=O)Nc4ccc(cc4)C(=O)C)C#N C01[X(C28H26N3O4S1)] 180 C01 596 CCOc1ccc(cc1)[C@@H]1C(=C(SCC(=O)Nc2ccc(cc2)C(=O)C)N=C2C1=C([O-])CCC2)C#N CCO[C]1[CH][CH][C]([CH][CH]1)[C@@H]1[C]([C]([N][C]2[C]1[C](=O)CCC2)SCC(=O)N[C]1[CH][CH][C]([CH][CH]1)C(=O)C)C#N CCO[C]1[CH][CH][C]([CH][CH]1)[C@@H]2[C](C#N)[C]([N][C]3CCCC(=O)[C]23)SCC(=O)N[C]4[CH][CH][C]([CH][CH]4)C(C)=O InChIKey=YJHUOAIUYDMWBI-AREMUKBSSA-N InChI=1S/C28H26N3O4S/c1-3-35-21-13-9-19(10-14-21)26-22(15-29)28(31-23-5-4-6-24(33)27(23)26)36-16-25(34)30-20-11-7-18(8-12-20)17(2)32/h7-14,26H,3-6,16H2,1-2H3,(H,30,34)/t26-/m1/s1 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1334.0401 1382.8358 1393.0565 1399.2913 1404.3679 1415.2098 1429.3438 1436.2236 1453.5906 1457.5048 1473.1491 1481.7191 1496.0121 1507.9066 1526.1183 1538.3746 1542.5329 1544.2576 1565.0281 1582.0892 1590.0335 1597.5233 1615.1947 1618.8024 1623.9159 1626.5753 1629.6437 1630.1611 1646.2908 1650.2514 1679.8014 1685.8512 1694.8202 1704.2772 1746.0202 1779.2244 1786.1551 1805.9567 1818.8027 1886.3872 1970.7351 1992.6224 2532.4438 3174.9521 3179.6137 3187.4956 3190.7476 3208.6196 3209.9562 3214.7969 3220.3975 3226.2310 3257.0422 3260.3127 3261.9947 3270.5600 3274.5750 3287.5148 3311.3290 3323.0656 3351.0189 3369.2378 3372.1697 3383.8011 3392.2369 3395.4780 3409.3004 3469.7597 3868.0571 7.0733 3.8408 5.1588 4.2625 4.7491 5.1013 6.9908 5.6203 4.2430 3.5380 5.7014 4.5295 5.9105 6.0211 2.8263 2.2911 8.8320 4.7728 5.4273 6.3084 6.7970 1.0342 5.6426 4.6160 5.9714 3.2101 4.6696 1.2125 7.4427 7.3167 5.1006 3.6773 5.9353 6.1184 6.9529 5.9698 4.3421 5.3503 3.0335 3.0242 5.0788 5.0629 4.8756 5.2366 3.0613 2.4839 5.7373 1.4373 3.5405 4.4448 4.9900 2.0327 4.5296 2.2520 4.1428 5.6808 6.9715 5.9159 6.4731 5.2888 5.9876 6.3738 3.7667 5.4672 3.4638 6.1601 3.3522 5.7640 4.2666 1.1581 3.9041 1.2267 1.3824 1.8482 1.7855 4.3633 1.4401 2.2125 2.5119 4.6295 1.9458 2.2936 3.1585 3.4863 1.4380 1.3512 1.3409 2.9143 2.7520 1.3413 1.9582 1.8435 3.0009 2.9165 2.1911 2.1690 2.0484 4.2267 1.6732 1.6119 2.5145 2.1012 1.8578 2.5018 1.1426 3.3595 1.5226 1.2023 1.2887 3.2564 3.9257 1.7778 1.4346 3.8697 3.9516 2.4245 2.4600 1.0990 1.4263 2.0729 1.6312 1.7288 1.8108 1.3724 1.8504 1.8925 2.7033 1.2369 1.4433 2.3253 1.6431 1.9387 1.0945 1.1260 1.0535 3.2151 1.0477 1.0423 1.3045 1.0544 1.1202 1.3477 2.1652 1.7448 2.4433 9.2633 6.1668 3.4271 4.9292 5.4940 11.5341 11.3379 9.3501 12.7025 1.0737 1.0716 1.0634 1.0549 1.0393 1.0853 1.0388 1.1004 1.1084 1.0920 1.0939 1.0620 1.1009 1.1012 1.1049 1.1031 1.1026 1.0911 1.0895 1.0889 1.0909 1.0939 1.0947 1.0936 1.0937 1.0780 0.0001 0.0004 0.0015 0.0014 0.0019 0.0034 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9.4720 10.7081 24.1822 25.9441 21.8733 47.9976 6.3768 6.3831 6.3656 6.3280 6.3043 6.5889 6.3255 6.7237 6.7972 6.8250 6.8511 6.6578 6.9381 6.9572 7.0356 7.1264 7.1739 7.2190 7.2871 7.2956 7.3598 7.4168 7.4359 7.4890 7.7579 9.5032 0.1626 0.1389 0.1639 1.2818 3.8359 0.3488 1.5913 1.9788 6.6397 7.3832 0.1870 0.3335 0.1095 3.1763 9.1645 2.0481 6.2561 1.4838 0.8880 2.7099 2.2137 0.0356 10.2030 5.0090 7.9044 3.0543 1.3607 1.0478 1.4918 8.9346 0.3278 7.2555 3.8141 2.8325 5.7830 1.4592 5.9687 10.7814 0.0648 0.4792 6.1659 0.4540 9.6865 10.5335 0.7590 23.8993 21.6462 70.2647 2.1410 4.5090 22.0085 1.0227 14.5177 22.8618 12.6506 9.2974 2.4991 10.3775 3.7641 24.2395 20.8390 17.5185 2.5800 7.1489 1.8158 37.3867 1.9491 0.7828 12.9358 3.3109 43.9811 0.4572 28.9455 31.3794 36.3622 2.6353 50.8834 26.4729 6.8253 29.3469 11.9738 9.9132 25.4322 35.3417 0.0891 1.7311 0.2688 4.3433 3.6996 1.7630 74.6838 2.7884 108.6367 33.4322 4.8305 11.3285 14.0349 45.2430 42.0097 412.9148 14.4022 400.8224 41.0083 95.5722 14.9346 4.9631 4.9510 64.2923 134.1468 492.6178 88.5579 107.0805 160.9871 675.3267 391.8206 244.0664 7.3421 0.4267 14.0972 252.3416 98.7184 212.2604 63.9300 25.9254 4.7960 50.6286 340.1043 17.2319 55.3887 54.4744 68.3581 25.0296 17.4438 1.5154 11.1765 30.2287 7.5731 2.2652 21.9730 3.4710 0.8198 110.4146 75.1129 90.5420 919.8903 452.0044 14.5906 130.3275 207.9539 61.1159 379.2223 326.2785 181.0300 225.1883 26.6383 24.4231 68.8516 29.7022 45.6018 23.1589 4.7543 93.0295 42.6861 59.0082 48.6490 30.9788 49.2986 17.4840 55.9880 3.9946 26.1080 22.0743 30.2813 8.9458 15.9203 28.3111 6.6704 3.3843 3.5868 33.1268 1.6024 6.3142 0.5551 2.0561 2.3273 2.5071 4.8367 0.1865 3.0594 0.4586 0.8682 2.3598 0.0612 0.3494 0.2239 2.2079 2.1630 0.3191 1.3193 1.5677 1.9944 0.0040 0.2107 1.0465 0.9823 1.3189 2.0048 0.0597 0.7771 0.6103 2.0150 0.8848 1.3654 2.2081 5.3271 1.9596 2.1968 0.6494 0.0900 0.0850 1.9554 3.9316 0.5313 10.5164 1.3453 1.1128 3.6877 1.3850 1.3895 4.6105 6.6813 0.4648 1.9387 0.4906 3.7557 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12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 14.00307 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 9999.6964 55422.1784 59489.5461 0.99998 -0.00327 -0.00596 0.00331 0.99997 0.00767 0.00594 -0.00769 0.99995 1 0.00866 0.00156 0.00146 0.18048 0.03256 0.03034 5.99 19.25 31.69 34.44 37.78 48.12 58.77 67.47 82.40 86.53 100.33 106.65 116.62 136.00 157.48 165.74 171.54 195.19 198.34 241.08 249.64 264.19 269.99 292.14 377.14 382.19 383.86 401.01 405.47 432.45 457.11 474.71 516.34 542.07 564.91 576.17 587.88 619.70 663.46 667.13 679.11 700.85 732.81 752.50 763.26 794.90 826.42 841.77 857.73 884.91 904.33 912.79 933.14 947.56 952.00 983.03 997.14 1005.77 1018.25 1054.17 1066.58 1083.89 1135.69 1159.54 1161.52 1178.34 1202.15 1255.46 1256.11 1289.64 1314.33 1327.34 1346.25 1357.01 1375.42 1377.04 1384.11 1422.03 1426.18 1452.01 1458.06 1459.90 1501.05 1527.04 1540.63 1567.02 1584.50 1593.78 1601.19 1604.56 1620.95 1664.74 1677.07 1690.09 1708.71 1709.10 1722.86 1751.41 1767.63 1785.04 1802.48 1813.15 1824.26 1840.67 1861.55 1869.00 1873.14 1875.64 1882.17 1891.07 1895.42 1919.39 1989.59 2004.30 2013.27 2020.57 2036.17 2056.51 2066.41 2091.39 2097.02 2119.53 2131.86 2152.43 2169.54 2195.74 2213.38 2219.36 2221.84 2251.73 2276.27 2287.70 2298.48 2323.90 2329.10 2336.45 2340.28 2344.69 2345.44 2368.65 2374.34 2416.86 2425.56 2438.47 2452.07 2512.13 2559.91 2569.88 2598.37 2616.85 2714.09 2835.45 2866.94 3643.62 4568.05 4574.75 4586.10 4590.77 4616.49 4618.41 4625.38 4633.43 4641.83 4686.16 4690.86 4693.28 4705.61 4711.38 4730.00 4764.26 4781.15 4821.37 4847.58 4851.80 4868.54 4880.67 4885.34 4905.22 4992.21 5565.27 0.524657 0.556707 0.557651 0.453229 -1935.297738 -1935.265688 -1935.264744 -1935.369166 3.502331D-04 MUNgauss RevisionA2.1 retrievium 06-Jun-2021 DUDE CCOc1ccc(cc1)[C@@H]2C(=C(N=C3C2=C(CCC3)[O-])SCC(=O)Nc4ccc(cc4)C(=O)C)C#N C02309573 RHF 6-31G(d) (6D,10F) C1 500.164403 |X|Y|Z| 64.125819 42.303627 168.207567 76.987229 26 6 7 16 23 2 1 |36.858105| |12.560650|36.858105| |8.098219|13.635893|73.516695| |5.221670|7.986640|24.870636|36.858105| |4.080504|5.252611|14.510033|13.718977|36.858105| |3.195357|3.982633|9.381542|7.936021|13.800176|36.858105| |2.960910|3.764989|8.124577|6.780925|7.866758|13.670163|36.858105| |3.337245|4.505264|9.211696|7.943740|6.925102|8.032975|13.758604|36.858105| |4.400783|6.708194|13.931699|13.761467|7.960611|6.900363|7.846416|13.700563|36.858105| |2.392136|2.899483|5.938490|4.385035|4.974625|7.469219|12.410134|7.466858|4.959380|36.858105| |2.267164|2.684831|5.572259|4.000306|4.815394|7.375147|9.014082|5.637351|4.203877|17.552636|0.500000| |2.216801|2.666855|5.235050|3.709959|3.911510|5.111610|7.488567|6.307749|4.369071|12.519001|0.247462|36.858105| |2.064266|2.464976|4.681845|3.215387|3.246003|3.965940|5.475030|5.320183|3.871668|7.613781|0.161270|14.000669|36.858105| |2.000935|2.376344|4.479392|3.038966|3.046666|3.656681|4.898819|4.856467|3.642941|6.497561|0.139624|7.913436|14.210069|53.358707| |2.054504|2.437399|4.695737|3.220682|3.327290|4.109832|5.467813|5.025845|3.757997|7.593751|0.161238|6.970178|8.377555|19.313115|36.858105| |2.207481|2.634454|5.268755|3.730185|4.083220|5.486545|7.516342|5.822556|4.208219|12.530002|0.248473|7.731857|6.972626|10.744089|13.901864|36.858105| |2.150144|2.513084|5.097322|3.513906|3.997308|5.225427|5.935919|4.633621|3.704883|7.501446|0.196879|5.026319|4.570524|6.959723|7.731126|13.166208|36.858105| |1.964429|2.253830|4.443699|2.935605|3.192770|3.809541|4.192243|3.659319|3.098587|4.844533|0.126639|3.809885|3.773101|6.120356|6.564601|7.472867|12.509903|36.858105| |1.785679|2.040856|3.922947|2.559868|2.697231|3.163135|3.612751|3.300436|2.778567|4.337168|0.110816|3.771043|4.035342|7.074632|7.546065|6.608164|7.508607|12.506132|36.858105| |1.890508|2.199035|4.168690|2.757392|2.816233|3.302451|4.017491|3.848719|3.131732|4.871921|0.115377|4.491536|5.260426|10.840889|12.583504|7.594097|6.534394|7.626550|12.500765|36.858105| |2.203033|2.547292|5.307176|3.642941|4.416502|5.917333|5.844098|4.342835|3.623589|6.709402|0.204011|4.460084|3.848228|5.463973|5.329455|8.133631|15.717090|8.087310|5.287590|4.616735|73.516695| |1.881764|2.206362|4.067532|2.681626|2.640166|3.039882|3.840587|3.961404|3.179464|4.587010|0.109786|6.997134|10.609338|9.740989|4.878364|4.210151|3.199354|2.816351|3.051972|3.791041|5.037649|388.023441| |1.695579|1.958785|3.563138|2.298197|2.251216|2.540754|3.106993|3.225705|2.688301|3.642715|0.088688|4.716695|6.929614|9.454078|4.715820|3.744897|2.969297|2.783212|3.195426|4.091848|4.581098|74.945972|36.858105| |1.553739|1.768273|3.175087|2.003818|1.950889|2.151439|2.542899|2.657281|2.305855|2.865304|0.071964|3.559360|4.593701|6.097027|3.432233|2.888817|2.402681|2.286026|2.580904|3.133889|3.807512|49.160687|12.576276|36.858105| |1.539275|1.744406|3.119394|1.955403|1.898558|2.075904|2.426599|2.543125|2.237561|2.686417|0.068293|3.355822|4.108136|5.155398|2.995437|2.620705|2.200206|2.068068|2.277876|2.698321|3.549832|45.811838|7.910922|15.963588|73.516695| |1.440699|1.623522|2.903614|1.812587|1.766281|1.931147|2.244745|2.337047|2.062091|2.505608|0.063549|2.963190|3.706158|5.254792|3.109625|2.604602|2.228544|2.183263|2.507689|3.007130|3.527788|33.848598|7.955423|13.811796|14.948106|53.358707| |1.324775|1.475580|2.622527|1.615055|1.571745|1.696888|1.934763|2.013337|1.814315|2.120427|0.054566|2.449640|2.927099|4.099330|2.537747|2.188146|1.918697|1.894058|2.146053|2.493165|3.082332|25.776801|5.067309|7.602575|11.607679|18.604014|36.858105| |1.248251|1.381085|2.452572|1.500976|1.463574|1.572908|1.775455|1.840091|1.672441|1.936178|0.050088|2.177545|2.563021|3.685086|2.353315|2.032344|1.816276|1.827896|2.087249|2.389105|2.918728|21.218432|4.030951|5.130594|7.895212|10.881969|13.614989|36.858105| |1.157760|1.269701|2.246858|1.362459|1.328288|1.415773|1.578182|1.633692|1.504149|1.701752|0.044416|1.891250|2.172502|3.084777|2.011892|1.772539|1.606257|1.618582|1.822563|2.043736|2.610022|17.741723|3.154207|3.884407|6.413340|7.094286|7.899331|13.861400|36.858105| |1.130326|1.235256|2.180043|1.316419|1.281555|1.359992|1.508923|1.564208|1.448973|1.616272|0.042372|1.805102|2.047640|2.843222|1.853860|1.656710|1.500754|1.495860|1.659725|1.850910|2.459716|17.007403|2.904897|3.649865|6.412135|6.177115|6.789219|7.911387|13.664103|36.858105| |1.186689|1.302124|2.297990|1.392209|1.353123|1.438753|1.604444|1.667946|1.539437|1.720576|0.045020|1.953359|2.222749|3.026057|1.942899|1.739922|1.558634|1.533221|1.691154|1.901033|2.557560|19.132704|3.238159|4.306542|8.010030|7.005463|7.947441|6.928548|7.987836|13.706518|36.858105| |1.285533|1.424057|2.521187|1.542103|1.498001|1.605680|1.814386|1.890872|1.722617|1.965355|0.050994|2.276091|2.648940|3.587270|2.245216|1.984237|1.748557|1.707347|1.895516|2.168685|2.846665|23.766766|4.213589|6.254431|11.739168|10.540723|13.673852|7.919404|6.858067|7.850151|13.771950|36.858105| |1.045968|1.133966|1.997337|1.197015|1.166255|1.229772|1.350366|1.396707|1.306462|1.434897|0.037866|1.582498|1.765148|2.445621|1.621734|1.467703|1.345244|1.344916|1.479180|1.625924|2.221744|14.357793|2.367191|2.844366|5.060550|4.560303|4.435094|5.070565|7.670613|12.786014|7.516280|5.002452|36.858105| |1.006401|1.087786|1.916677|1.145974|1.118050|1.177142|1.287541|1.328838|1.246259|1.366300|0.036116|1.491506|1.657902|2.318920|1.554213|1.407726|1.300555|1.310811|1.444241|1.576163|2.148603|13.225200|2.178601|2.544182|4.443356|4.083035|3.808858|4.576389|6.830624|8.121101|5.276294|3.992224|15.894160|73.516695| |1.014132|1.094858|1.924871|1.148598|1.118476|1.174432|1.282739|1.326903|1.248492|1.354836|0.035905|1.495135|1.647990|2.251260|1.496914|1.370219|1.257641|1.247990|1.357414|1.484743|2.092005|13.462784|2.150224|2.569901|4.722733|3.927771|3.646124|3.812207|4.938411|7.356998|6.369871|4.355965|12.564402|14.376874|36.858105| |2.175190|2.581970|5.058048|3.498786|3.706316|4.643720|5.957636|5.194532|3.962106|7.549214|0.196227|13.352460|7.816682|7.008424|4.589120|5.047482|3.834580|3.028921|2.972377|3.369834|6.498479|45.177625|4.085899|3.326866|5.873568|3.727470|2.318300|2.042404|1.798830|1.747010|1.912087|2.215827|1.540933|2.567232|1.474896|36.858105| |2.107429|2.460283|4.792843|3.219295|3.407984|4.072984|4.758367|4.282210|3.522004|5.401492|0.151538|7.416250|5.445913|5.402454|3.601415|3.919597|3.189566|2.593646|2.537310|2.806265|5.572073|36.997654|3.518485|3.032812|5.534193|3.420902|2.175417|1.915216|1.708108|1.679397|1.847872|2.122003|1.491965|2.478995|1.442733|16.675667|53.358707| |17.568347|8.859177|12.973390|4.862514|3.991222|3.123851|2.847238|3.132762|4.017306|2.319020|0.061444|2.115634|1.973484|2.634816|2.015224|2.175518|2.161407|1.994076|1.794786|1.876758|3.966402|12.671409|1.622775|1.483610|2.597858|1.885014|1.274648|1.208026|1.121447|1.091160|1.139996|1.231961|1.011639|1.736355|0.978597|2.053956|2.693931|0.500000| |17.570199|8.860532|12.968033|4.874737|4.009759|3.136836|2.856358|3.138812|4.020290|2.324953|0.062061|2.166050|1.995816|2.602101|1.955650|2.114357|2.058892|1.866195|1.698224|1.788073|3.788055|13.030516|1.636874|1.506341|2.669322|1.895159|1.283356|1.206399|1.121486|1.099149|1.156808|1.251564|1.018828|1.740359|0.991452|2.165616|2.897204|0.301075|0.500000| |17.537493|8.852437|10.259953|4.232118|3.381155|2.770533|2.641605|3.004441|3.847141|2.184541|0.057281|2.060818|1.949301|2.582791|1.928617|2.037496|1.973378|1.826192|1.682741|1.790756|3.553524|12.842943|1.643298|1.519909|2.683843|1.926153|1.308548|1.235057|1.149637|1.124823|1.179948|1.273651|1.043541|1.785572|1.013558|2.023687|2.675373|0.300188|0.300203|0.500000| |8.853785|17.524539|16.543006|7.071544|4.773055|3.802529|3.731953|4.600290|6.793585|2.905231|0.073517|2.666087|2.516622|3.372093|2.552340|2.717711|2.594330|2.365570|2.147859|2.334077|4.593535|15.915514|2.020988|1.817028|3.159306|2.284818|1.522541|1.430850|1.312303|1.270288|1.333899|1.459799|1.164313|1.989740|1.119066|2.516915|3.213678|0.212062|0.173438|0.212658|0.500000| |8.850673|17.530062|16.547990|7.115372|4.808042|3.827991|3.754150|4.621313|6.811731|2.917851|0.074605|2.769745|2.563840|3.304921|2.435039|2.602023|2.423196|2.160622|1.988350|2.170245|4.324285|16.646143|2.048537|1.859295|3.290386|2.302993|1.537442|1.428162|1.312360|1.282911|1.361006|1.492690|1.175276|1.995730|1.138357|2.731756|3.577047|0.173399|0.212096|0.212486|0.301454|0.500000| |4.100915|4.865114|13.439002|8.962452|17.718788|8.887236|5.605472|4.979166|5.668851|4.058955|0.114128|3.286413|2.776798|3.577327|2.866811|3.462336|3.526800|2.901044|2.447823|2.496045|7.131019|16.483468|2.006523|1.763419|3.062833|2.191446|1.446251|1.354079|1.237129|1.196417|1.259249|1.384120|1.095191|1.871011|1.053334|3.189872|4.104720|0.114832|0.115472|0.092946|0.119910|0.120714|0.500000| |2.805308|3.330969|7.598005|5.654498|8.968705|17.736645|8.931581|5.691470|4.967942|6.970743|0.226475|4.742960|3.675091|4.638135|3.889594|5.303519|5.442927|3.884094|3.168465|3.178618|12.197781|20.217799|2.403008|2.045900|3.508569|2.514876|1.630240|1.517345|1.369587|1.315394|1.387847|1.543262|1.192777|2.033600|1.139606|4.408583|5.367503|0.077274|0.077556|0.068222|0.088389|0.088851|0.214934|0.500000| |2.984742|3.913011|7.444990|5.664361|4.979519|5.683722|8.947374|17.721841|8.962768|6.941571|0.141427|6.904109|6.506407|8.063474|5.638814|5.844747|4.381485|3.595032|3.412822|4.211419|6.947038|33.872292|3.831006|3.073957|5.173155|3.625089|2.255864|2.041345|1.792416|1.709812|1.831890|2.101865|1.512381|2.548454|1.429990|5.374911|5.874583|0.077622|0.077738|0.076856|0.113841|0.114234|0.107978|0.124691|0.500000| |4.678161|7.423372|12.437432|8.867745|5.640953|4.968838|5.625978|8.944836|17.745137|4.069816|0.096798|3.819500|3.570886|4.640460|3.411452|3.620188|3.196564|2.787244|2.568093|2.929905|5.466809|21.884453|2.653741|2.312174|4.005433|2.825684|1.836988|1.693476|1.526800|1.473951|1.566795|1.749840|1.329951|2.253678|1.272276|3.511069|4.321219|0.114963|0.114806|0.118157|0.227322|0.226154|0.124207|0.107822|0.218160|0.500000| |1.848505|2.084721|4.122698|2.670831|2.949604|3.461226|3.618919|3.140592|2.739421|4.102310|0.113348|3.290435|3.202270|4.980733|4.907856|5.619486|8.984083|17.571876|8.743257|5.510417|13.658902|17.670963|2.453115|2.060462|3.344980|2.696699|1.742243|1.691804|1.512373|1.402169|1.431993|1.581267|1.269713|2.207208|1.181583|2.724542|3.244774|0.052481|0.049097|0.047709|0.060253|0.055298|0.076498|0.101341|0.084514|0.068693|0.500000| |2.092498|2.408719|4.726476|3.102206|3.302108|3.799582|4.132981|3.765801|3.276647|4.396069|0.112018|3.495020|3.484170|5.637613|5.756890|6.295800|9.002002|17.478885|8.851548|6.819445|11.985930|18.885346|2.634061|2.187395|3.530794|2.856027|1.832081|1.774689|1.577950|1.459363|1.492432|1.655338|1.316197|2.284674|1.222223|2.815465|3.309385|0.059477|0.054571|0.054028|0.071375|0.063342|0.083189|0.104266|0.102112|0.082486|0.302780|0.500000| |1.670452|1.895113|3.649659|2.371346|2.528144|2.988930|3.379850|3.028673|2.549422|4.215013|0.111966|3.768774|4.007060|6.769339|6.736544|6.091816|6.705637|8.877909|17.512628|8.885818|8.954507|21.875308|3.221078|2.611084|4.099631|3.452120|2.171188|2.108667|1.840966|1.677728|1.711071|1.918936|1.494237|2.591447|1.371495|3.016535|3.522345|0.046482|0.044526|0.043753|0.054746|0.051639|0.064294|0.084966|0.086780|0.065357|0.214035|0.173802|0.500000| |1.688762|1.907946|3.624447|2.317995|2.411576|2.743534|3.057939|2.872761|2.496562|3.499311|0.090524|3.128470|3.365421|5.758751|5.499330|4.853127|5.479409|8.812898|17.508758|8.815334|7.590221|19.101159|2.883708|2.395471|3.761985|3.240937|2.068858|2.048321|1.800419|1.629252|1.641818|1.822298|1.460242|2.553560|1.334584|2.552295|3.025053|0.047391|0.044487|0.044491|0.056088|0.051453|0.061593|0.076112|0.082537|0.065160|0.207424|0.214677|0.302817|0.500000| |1.994156|2.331908|4.368224|2.872105|2.859323|3.257599|3.935829|3.967288|3.304834|4.395824|0.103148|4.021653|4.637735|9.033203|8.967430|6.329076|5.702601|6.790531|8.849898|17.478193|7.510479|24.816783|3.764844|2.962338|4.571884|3.902757|2.407612|2.323016|2.000056|1.812297|1.854449|2.102289|1.598699|2.762401|1.460518|3.092851|3.551540|0.055152|0.051798|0.052664|0.069996|0.063508|0.070161|0.085132|0.121527|0.087338|0.138722|0.198789|0.173956|0.215485|0.500000| |1.743578|2.008939|3.756155|2.445358|2.473602|2.852628|3.426009|3.347278|2.775500|4.131142|0.100120|4.115733|5.082794|10.572642|8.993986|5.711761|4.898189|5.522623|8.786554|17.579484|6.653731|27.991732|4.635202|3.510422|5.216594|4.705927|2.815379|2.718260|2.283515|2.035761|2.079447|2.390300|1.770008|3.052434|1.598600|3.184667|3.656353|0.047871|0.045981|0.046271|0.059024|0.055597|0.061504|0.076589|0.103479|0.073494|0.122952|0.139169|0.215753|0.208335|0.303410|0.500000| |1.611116|1.848113|3.396267|2.189385|2.182964|2.490090|3.011000|3.020611|2.514733|3.648161|0.090477|4.586918|6.559502|9.651713|5.001389|3.895046|3.118871|2.962830|3.515601|4.459201|4.765834|56.386054|17.603554|8.931691|10.898434|9.869671|4.794472|4.005780|3.126702|2.827432|3.076124|3.901283|2.319093|3.835403|2.089757|3.906675|4.569197|0.043160|0.043281|0.043206|0.052897|0.053126|0.054414|0.066533|0.096930|0.067994|0.072785|0.076271|0.101390|0.087626|0.108879|0.146742|0.500000| |1.770232|2.058031|3.713795|2.396677|2.313687|2.588775|3.191235|3.411264|2.847930|3.644531|0.086860|4.500134|6.599067|10.346223|5.088215|3.877393|3.073610|2.935140|3.401924|4.565558|4.673048|56.469034|17.627173|8.930497|10.966764|9.770324|4.770457|3.982883|3.114557|2.820618|3.071336|3.894050|2.314729|3.827105|2.087469|3.759249|4.375061|0.047131|0.047032|0.047793|0.059772|0.059575|0.056977|0.067170|0.115289|0.079088|0.070808|0.078565|0.092250|0.085988|0.120949|0.145362|0.305268|0.500000| |1.448128|1.634034|2.932139|1.835633|1.793950|1.969358|2.295056|2.379143|2.088473|2.581723|0.065185|2.999672|3.797577|5.683160|3.380235|2.760908|2.368458|2.359512|2.775277|3.375878|3.703135|32.208064|7.867196|9.431699|10.894257|26.057836|9.397545|7.689235|4.948925|4.078605|4.305983|5.754907|3.110480|5.106060|2.648504|2.697636|3.323310|0.038860|0.038726|0.039432|0.047195|0.046958|0.045382|0.052421|0.075340|0.058190|0.059155|0.062888|0.077815|0.073672|0.089040|0.111533|0.221138|0.217184|0.500000| |1.263263|1.400019|2.493323|1.529957|1.495116|1.611933|1.823078|1.883908|1.705430|1.998184|0.051541|2.223010|2.634666|3.895424|2.507701|2.136557|1.916844|1.955862|2.270546|2.608998|3.055155|21.091715|4.091573|4.812996|7.100372|10.039033|8.880783|17.696060|8.967988|5.636522|4.979089|5.634871|4.134630|7.045806|3.204142|2.049742|2.589749|0.034093|0.033807|0.034651|0.040467|0.039993|0.038388|0.043240|0.058077|0.047832|0.050155|0.052728|0.063612|0.062447|0.070450|0.084052|0.116581|0.115697|0.236384|0.500000| |1.109666|1.211757|2.144185|1.295338|1.264698|1.344238|1.489307|1.537636|1.422563|1.600714|0.041915|1.755297|1.999186|2.864216|1.898548|1.679050|1.538295|1.565030|1.763806|1.956096|2.503795|15.915961|2.783511|3.271173|5.382343|5.750093|5.628504|8.955207|17.751192|8.938310|5.674855|4.946879|7.169235|13.713492|4.574492|1.663694|2.149728|0.029964|0.029828|0.030631|0.034850|0.034638|0.032832|0.036210|0.046581|0.040089|0.040812|0.042488|0.049435|0.048879|0.053385|0.060643|0.077667|0.077361|0.116967|0.216216|0.500000| |1.157685|1.265024|2.228357|1.343945|1.305604|1.382084|1.531962|1.592388|1.479406|1.631955|0.042908|1.850202|2.075026|2.787530|1.801463|1.633278|1.468006|1.436199|1.567596|1.749299|2.426378|17.856512|2.896373|3.755407|7.293672|5.683802|5.675432|4.982124|5.656027|8.886944|17.730431|9.038497|6.881033|8.558069|7.236535|1.836032|2.442284|0.030832|0.031452|0.032030|0.035849|0.036832|0.033853|0.037058|0.048305|0.041872|0.037395|0.038879|0.044058|0.042201|0.047469|0.052560|0.076090|0.076040|0.098593|0.107989|0.124291|0.500000| |1.333247|1.481131|2.623095|1.608111|1.560395|1.674083|1.897301|1.981253|1.801228|2.053002|0.053257|2.416158|2.802021|3.690824|2.286734|2.037527|1.780463|1.715358|1.885735|2.162129|2.909828|26.204557|4.437365|6.849353|15.251317|9.546830|8.909400|5.640833|4.953626|5.617873|8.925206|17.838286|4.081510|5.930369|3.823672|2.392624|3.145879|0.035330|0.036169|0.036658|0.041970|0.043396|0.039963|0.044595|0.061310|0.050816|0.044069|0.046135|0.053051|0.049895|0.058080|0.065446|0.110580|0.110553|0.143399|0.123972|0.107580|0.218379|0.500000| |1.009614|1.090440|1.924036|1.150300|1.124393|1.184100|1.292583|1.330508|1.248062|1.371297|0.036477|1.520302|1.670749|2.264202|1.503001|1.380351|1.265069|1.249503|1.357495|1.481048|2.108736|13.747530|2.177343|2.616396|4.874655|3.941993|3.629984|3.667353|4.547925|6.617088|6.431739|4.456503|8.831907|11.031056|17.554008|1.510026|2.019979|0.027045|0.027493|0.027962|0.030853|0.031523|0.029430|0.032000|0.039761|0.035194|0.032910|0.033849|0.038295|0.036922|0.040222|0.044254|0.059028|0.057896|0.073141|0.085597|0.114481|0.218257|0.111275|0.500000| |0.962777|1.034797|1.818329|1.080856|1.053473|1.102828|1.198083|1.237192|1.169359|1.261099|0.033522|1.380482|1.511202|2.069697|1.388702|1.277350|1.180402|1.175224|1.274282|1.383759|1.969731|12.172892|1.925683|2.251329|4.106506|3.411220|3.066166|3.257326|4.136279|5.480464|4.704607|3.506950|8.971437|13.778519|17.626195|1.361663|1.815496|0.025857|0.026156|0.026758|0.029377|0.029815|0.027648|0.029778|0.036857|0.033095|0.031023|0.032025|0.035744|0.034936|0.037891|0.041237|0.052281|0.052224|0.065003|0.078648|0.112558|0.142742|0.087288|0.299424|0.500000| |1.045403|1.129096|1.976400|1.177341|1.140878|1.193935|1.305600|1.359169|1.283284|1.370792|0.036215|1.516490|1.671141|2.272898|1.505727|1.379640|1.262136|1.247847|1.351389|1.485749|2.100465|13.743303|2.178016|2.617293|4.878894|3.941417|3.629615|3.666860|4.547222|6.616308|6.431389|4.456174|8.832215|11.032563|17.553681|1.500010|2.000388|0.027945|0.028379|0.029098|0.032062|0.032721|0.029808|0.032060|0.040779|0.036493|0.032731|0.034058|0.037755|0.036823|0.040784|0.044251|0.057973|0.059009|0.073123|0.085587|0.114464|0.218269|0.111271|0.301921|0.299429|0.500000| 1933.845641 -11800.219013 4548.526687 -233.095514 -5550.942198 3615.119709 -1935.822489 2.001022 3D73B0000000000C 4562EE05B4A01438 44E26D0A6BAE5008 4230D34BECFFFFFD 37DE7D42A4998E00 442E5513634F0468