Version2.1 2020-12-17T23:18:00Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 31-Oct-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC(=O)N(c1nnc(s1)SCC(=O)NN2C(=O)[C@](NC2=O)(CC)c3ccccc3)C4CC4 C24172962 RHF 6-31G(d) (6D,7F) CCC(=O)N(c1nnc(s1)SCC(=O)NN2C(=O)[C@](NC2=O)(CC)c3ccccc3)C4CC4 C01[X(C21H24N6O4S2)] 165 C1 551 CCC(=O)N(c1nnc(s1)SCC(=O)NN1C(=O)N[C@@](C1=O)(CC)c1ccccc1)C1CC1 CCC(=O)N(c1nnc(s1)SCC(=O)NN1C(=O)N[C@@](C1=O)(CC)c1ccccc1)C1CC1 CCC(=O)N(C1CC1)c2sc(SCC(=O)NN3C(=O)N[C@](CC)(C3=O)c4ccccc4)nn2 InChIKey=LSFJDARRZNKCIZ-NRFANRHFSA-N InChI=1S/C21H24N6O4S2/c1-3-16(29)26(14-10-11-14)19-23-24-20(33-19)32-12-15(28)25-27-17(30)21(4-2,22-18(27)31)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,22,31)(H,25,28)/t21-/m0/s1 InChI=1/C21H24N6O4S2/c1-3-16(29)26(14-10-11-14)19-23-24-20(33-19)32-12-15(28)25-27-17(30)21(4-2,22-18(27)31)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,22,31)(H,25,28)/t21-/m0/s1/f/h22,25H CCC(=O)N(c1nnc(s1)SCC(=O)NN2C(=O)[C@](NC2=O)(CC)c3ccccc3)C4CC4 C01[X(C21H24N6O4S2)] 165 C01 551 CCC(=O)N(c1nnc(s1)SCC(=O)NN1C(=O)N[C@@](C1=O)(CC)c1ccccc1)C1CC1 CCC(=O)N(c1nnc(s1)SCC(=O)NN1C(=O)N[C@@](C1=O)(CC)[C]1[CH][CH][CH][CH][CH]1)C1CC1 CCC(=O)N(C1CC1)c2sc(SCC(=O)NN3C(=O)N[C@@](CC)([C]4[CH][CH][CH][CH][CH]4)C3=O)nn2 InChIKey=LSFJDARRZNKCIZ-NRFANRHFSA-N InChI=1S/C21H24N6O4S2/c1-3-16(29)26(14-10-11-14)19-23-24-20(33-19)32-12-15(28)25-27-17(30)21(4-2,22-18(27)31)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,22,31)(H,25,28)/t21-/m0/s1 InChI=1/C21H24N6O4S2/c1-3-16(29)26(14-10-11-14)19-23-24-20(33-19)32-12-15(28)25-27-17(30)21(4-2,22-18(27)31)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,22,31)(H,25,28)/t21-/m0/s1/f/h22,25H 3548.8124811618 -2230.3447693 1-A 31547.4959 128 423 551 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1574.8927 1599.7603 1607.9060 1611.0359 1613.4762 1629.0910 1638.6077 1642.3307 1643.6371 1647.1226 1652.3507 1663.5905 1665.0803 1672.9266 1701.3802 1770.9427 1784.8061 1810.5082 1973.1553 2008.4417 2014.3843 2067.8243 3213.3137 3220.4742 3221.5579 3228.8391 3264.0072 3266.0439 3275.1265 3277.4220 3288.1071 3299.0287 3309.3925 3312.7829 3319.8614 3321.6475 3335.1172 3360.1914 3372.1801 3386.3393 3403.5470 3406.0744 3407.6907 3429.0838 3865.4696 3900.3283 4.8633 6.7115 5.8984 6.2737 5.4672 7.9623 5.0984 5.7313 5.9453 5.8513 3.3745 2.9667 4.1462 3.8167 3.0856 3.6087 3.8734 3.4510 5.6126 4.6692 6.9943 5.2646 1.8350 6.0373 1.1962 4.2866 1.9733 4.2163 4.3231 2.7897 2.9099 4.7378 7.0243 6.2559 5.3482 5.3995 4.1538 1.2767 4.8767 7.3284 2.8693 3.4678 2.6905 7.5320 4.1277 3.7793 3.6942 2.6903 2.5151 8.7668 10.2153 6.3560 6.6955 6.7569 10.9028 3.2194 4.2710 6.1265 2.0894 3.6291 6.9362 4.3990 2.6971 1.3519 3.4277 1.4644 2.6180 2.0873 1.9738 1.9195 1.2482 3.5578 3.3295 2.2117 2.0731 1.6274 5.7907 2.5785 2.3224 5.8310 1.3922 2.3853 1.3365 2.1856 2.3614 2.5174 7.7064 2.2680 2.0973 1.8128 1.3571 2.5843 1.7092 1.3332 5.0756 2.4908 2.1928 1.3263 3.2344 2.8929 1.1251 1.1720 2.4125 1.3672 3.0386 1.7574 4.4682 3.0729 2.1761 1.1696 4.8004 1.7596 1.3952 1.7083 1.4446 1.4377 1.7183 1.6113 1.4686 1.3943 1.0904 1.0947 1.0918 2.1552 1.1045 1.0394 3.3611 1.0691 1.0486 1.1435 12.5786 1.3880 2.0992 1.8144 12.2762 5.1695 5.1591 12.0793 11.3615 11.6488 11.6023 1.0366 1.0453 1.0714 1.0583 1.0996 1.0601 1.0997 1.1031 1.1003 1.0983 1.1035 1.0819 1.0591 1.1061 1.0651 1.0871 1.0916 1.0962 1.1194 1.0936 1.0943 1.1159 1.0798 1.0804 0.0002 0.0005 0.0007 0.0031 0.0036 0.0083 0.0061 0.0103 0.0149 0.0163 0.0128 0.0117 0.0197 0.0192 0.0167 0.0237 0.0258 0.0307 0.0808 0.0718 0.1394 0.1160 0.0466 0.1625 0.0430 0.1788 0.0948 0.2087 0.2469 0.1742 0.1956 0.3248 0.5283 0.5053 0.4677 0.5039 0.3955 0.1442 0.5907 0.8980 0.3530 0.4416 0.3571 1.3014 0.7623 0.7844 0.7896 0.6387 0.6057 2.2478 2.6460 1.7242 1.9337 1.9623 3.3481 1.0546 1.4540 2.1039 0.7411 1.4025 2.7257 1.8273 1.1468 0.5814 1.5104 0.6567 1.2234 0.9764 0.9430 0.9659 0.6738 2.0263 1.9084 1.3573 1.2787 1.0680 3.8830 1.7421 1.6101 4.0840 1.0036 1.7225 1.0050 1.6587 1.8252 2.0060 6.2489 1.8636 1.7557 1.5233 1.1594 2.2339 1.4822 1.1966 4.6763 2.3071 2.0684 1.2537 3.1012 2.8629 1.1291 1.1921 2.4631 1.4077 3.1772 1.8670 4.8337 3.6080 2.5681 1.3811 5.9344 2.2174 1.8115 2.2424 1.9365 2.0005 2.4243 2.3165 2.1449 2.0376 1.6442 1.6674 1.6696 3.3058 1.7270 1.6442 5.3414 1.7016 1.6762 1.8394 20.5105 2.2673 3.4615 3.0944 22.6843 9.7024 9.9638 27.7086 27.0025 27.8495 29.2296 6.3063 6.3872 6.5512 6.5004 6.9025 6.6628 6.9499 6.9809 7.0088 7.0429 7.1203 6.9955 6.8772 7.1902 6.9799 7.2320 7.3138 7.4065 7.6400 7.4749 7.4868 7.7306 9.5058 9.6834 0.5585 0.8180 1.4658 0.3764 0.0557 1.0207 0.3646 1.9668 1.4111 0.3878 0.8588 0.6629 6.5556 1.9031 6.2588 0.4854 7.3029 1.6040 0.6693 2.0652 6.9834 1.4028 5.3547 0.8855 1.1325 1.1405 14.3032 10.2188 1.9471 23.4706 21.2808 3.7505 8.6263 3.5120 2.0780 3.7374 12.9943 128.7329 38.2547 2.3937 6.7520 18.1315 72.4547 10.1144 30.1697 12.4226 5.3524 8.3786 1.6618 3.5248 26.1735 1.3078 31.3536 3.7157 4.0390 1.2608 11.5210 41.3441 32.6959 13.0988 11.3799 11.2777 22.1398 6.3556 54.7571 3.5909 19.3671 2.7472 2.4433 21.9126 0.4617 19.7366 17.6676 3.1479 7.4966 0.4780 5.2606 10.0326 4.4376 1.8583 0.3744 3.3308 0.3268 2.7332 15.1904 30.6736 93.9760 3.2878 29.0905 1.8725 7.0560 2.7479 1.7206 3.0651 58.8519 8.9128 112.4968 31.8116 42.7575 8.6898 0.1037 0.9586 32.8655 1.0513 126.2010 2.6284 138.6062 244.6947 137.7177 0.5638 155.4210 48.2436 13.9126 92.1048 0.2027 65.6236 133.3829 18.5944 14.0451 19.3948 21.4771 0.4088 5.0090 19.3505 1.8031 4.9305 272.0988 7.2821 3.7007 54.2834 100.6893 11.0649 14.4456 123.6420 118.3949 0.2269 2.0237 271.3880 259.2020 993.5313 69.9197 31.3576 48.3688 20.2052 11.6277 4.4821 12.5589 22.7336 32.5997 32.8876 30.3116 21.6057 23.5467 19.5267 0.1807 13.6057 0.0173 16.7894 38.6220 7.9782 12.9821 2.9950 6.6936 52.6468 80.6806 0.5187 0.7667 1.9808 2.2202 2.8964 1.9855 2.3350 1.1536 1.2175 1.0396 0.4929 0.2822 0.8754 0.2874 1.0848 0.3534 2.6942 1.7894 0.5906 0.4477 0.9070 0.6845 0.6405 1.6466 0.3369 2.5967 0.3709 0.3791 1.2183 1.3390 0.1761 4.6505 0.4575 0.7753 2.2732 0.5261 1.5864 0.9961 0.5857 1.6481 0.7405 1.1956 0.8902 1.7807 0.5207 1.4562 2.4163 1.2123 0.2269 2.2035 3.8256 4.0715 3.8013 5.5568 4.5251 3.1677 3.8961 12.2733 0.3026 1.2621 3.2917 1.0034 0.9658 2.6576 7.0370 1.2572 14.5553 8.3894 2.6578 6.3356 1.9427 5.0279 17.7078 3.1451 1.6455 3.1776 10.2325 17.1539 3.8040 26.6946 0.2938 10.8555 0.2338 12.3446 1.3272 2.9829 2.0374 7.2270 7.7882 2.6517 0.7849 3.5306 0.3716 0.4864 13.7588 7.3457 4.2933 1.3532 11.1078 1.2471 10.1787 4.3290 19.9940 7.1345 2.7716 2.5009 3.0711 4.0073 6.9301 8.1601 2.9439 5.5558 1.2658 1.9561 0.7489 6.3692 0.6399 5.0512 1.4877 2.1809 8.5601 9.4358 15.1617 0.8260 14.4270 21.6411 1.5031 8.2933 18.2094 7.9584 127.2498 7.1771 0.8503 2.5053 76.0877 7.1623 28.8443 7.3991 3.2577 1.5676 13.1581 90.6341 51.6250 103.2767 136.9039 62.4862 48.7869 69.9729 104.9249 77.6501 14.7478 34.4947 28.0513 79.1602 29.0172 150.0330 51.2981 106.0704 150.7182 75.0242 15.2873 159.0014 28.8894 56.5129 65.7430 0.7488 0.7486 0.7383 0.7410 0.7448 0.7440 0.7500 0.7488 0.7307 0.6832 0.5293 0.7493 0.7099 0.5499 0.6909 0.4717 0.7346 0.7067 0.6220 0.6190 0.1106 0.0991 0.3995 0.6185 0.7111 0.7151 0.5480 0.5203 0.2321 0.4399 0.6822 0.1997 0.4046 0.3169 0.6894 0.3863 0.7469 0.5206 0.6625 0.7314 0.6457 0.7443 0.2692 0.5915 0.4369 0.2828 0.4314 0.2064 0.3225 0.7469 0.0922 0.7481 0.2141 0.1844 0.2124 0.2991 0.1762 0.2013 0.5988 0.7500 0.7113 0.6080 0.6494 0.7062 0.3331 0.5568 0.1477 0.2458 0.3833 0.6858 0.7358 0.7091 0.6153 0.6776 0.6580 0.6287 0.1408 0.7390 0.5920 0.1069 0.3712 0.2318 0.4863 0.1513 0.5041 0.6655 0.2061 0.5596 0.1600 0.3202 0.3796 0.7340 0.6815 0.6680 0.3276 0.2574 0.7468 0.5324 0.4518 0.1573 0.7479 0.7382 0.1492 0.7471 0.2481 0.4207 0.3351 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12.00000 15.99491 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 5765.7287 54091.1430 54909.1359 1.00000 0.00071 -0.00026 -0.00070 0.99923 0.03916 0.00029 -0.03916 0.99923 1 0.01502 0.00160 0.00158 0.31301 0.03336 0.03287 13.11 15.40 19.71 41.48 47.97 60.40 64.82 79.52 93.79 98.88 115.39 117.73 129.08 132.99 138.08 151.89 153.02 176.71 224.92 232.39 264.59 278.25 298.77 307.49 355.28 382.80 410.83 417.00 447.92 468.39 485.96 490.78 514.04 532.71 554.33 572.62 578.37 629.88 652.37 656.13 657.43 668.91 682.87 779.14 805.54 853.94 866.59 913.33 919.83 949.14 953.98 976.27 1007.34 1010.14 1038.73 1072.80 1093.67 1098.43 1116.36 1165.24 1175.03 1208.07 1222.24 1229.17 1244.27 1255.19 1281.36 1282.02 1295.62 1329.66 1377.19 1414.59 1419.10 1468.41 1472.09 1518.43 1534.92 1540.72 1560.74 1568.69 1591.45 1592.87 1625.39 1632.92 1647.93 1673.27 1687.90 1699.16 1715.00 1718.25 1732.53 1742.71 1745.56 1775.81 1799.19 1803.96 1820.50 1822.40 1835.43 1864.70 1877.75 1890.47 1893.97 1901.99 1916.70 1931.96 1949.58 2031.08 2036.26 2036.85 2084.11 2104.20 2135.85 2147.53 2170.19 2211.05 2226.47 2247.48 2265.30 2265.92 2301.70 2313.42 2317.92 2321.43 2343.90 2357.59 2362.95 2364.83 2369.84 2377.36 2393.54 2395.68 2406.97 2447.91 2547.99 2567.94 2604.92 2838.93 2889.70 2898.25 2975.14 4623.24 4633.54 4635.10 4645.58 4696.18 4699.11 4712.18 4715.48 4730.85 4746.57 4761.48 4766.36 4776.54 4779.11 4798.49 4834.57 4851.81 4872.19 4896.94 4900.58 4902.91 4933.69 5561.55 5611.70 0.477822 0.508851 0.509795 0.408328 -2229.866948 -2229.835918 -2229.834974 -2229.936441 3.403220D-04 MUNgauss RevisionA2.0 retrievium 17-Dec-2020 DUDE CCC(=O)N(c1nnc(s1)SCC(=O)NN2C(=O)[C@](NC2=O)(CC)c3ccccc3)C4CC4 C24172962 RHF 6-31G(d) (6D,10F) C1 488.130047 |X|Y|Z| 167.415561 44.503743 39.229321 66.364280 24 6 7 16 16 6 2 |36.858105| |12.492289|36.858105| |7.555532|12.559014|36.858105| |6.902393|7.998437|15.949537|73.516695| |5.020108|7.685525|13.745089|15.116890|53.358707| |3.896473|5.073517|8.025945|12.875562|18.499048|36.858105| |3.302632|4.095536|5.788437|9.912646|11.026681|15.048824|53.358707| |2.769815|3.254050|4.318344|7.857869|7.327690|8.664889|19.007408|53.358707| |2.742469|3.173761|4.195916|7.789534|6.904875|8.041646|11.764770|20.337816|36.858105| |3.356904|4.005111|5.587863|10.119085|9.375223|10.913351|10.226194|10.233883|10.986876|388.023441| |2.246257|2.493709|3.083972|5.790873|4.741425|4.640407|6.649949|9.610608|10.844079|44.550667|388.023441| |2.019418|2.228648|2.699763|5.037783|4.127096|3.898418|6.171091|9.131157|7.074349|30.930462|74.751944|36.858105| |1.757331|1.905057|2.240602|4.174442|3.344373|2.998809|4.538534|5.961065|4.681631|23.936002|49.877489|12.587507|36.858105| |1.693096|1.820085|2.121704|3.960668|3.131945|2.765889|4.032752|5.104408|4.210938|22.893497|47.050848|7.949825|16.032050|73.516695| |1.620496|1.750010|2.027572|3.751831|3.010996|2.634353|4.044393|5.094051|3.738924|19.992582|34.054666|7.918886|13.857793|15.045258|53.358707| |1.465293|1.564527|1.784347|3.302473|2.612002|2.231083|3.346200|4.039409|3.002955|16.971543|26.768786|5.197766|8.121638|12.645951|19.129618|53.358707| |1.354816|1.447303|1.630994|2.987055|2.392577|2.014808|2.983537|3.521658|2.630993|15.324770|22.994974|4.114660|5.821325|10.085449|10.760708|18.851151|36.858105| |1.344264|1.446326|1.624600|2.944583|2.406879|2.021821|2.994428|3.517454|2.617210|15.309361|22.522227|3.961666|5.263774|8.994599|9.111862|11.336056|16.092061|73.516695| |1.251795|1.322568|1.476405|2.715635|2.135721|1.772893|2.589511|2.991001|2.246534|13.490768|19.278147|3.247433|4.312986|7.949475|7.116301|11.132367|12.400271|13.864063|36.858105| |1.297696|1.362429|1.528000|2.841054|2.190603|1.824237|2.669887|3.094378|2.322895|13.882944|19.981903|3.401371|4.534880|8.295580|7.447886|11.866493|8.287236|9.793463|13.108668|53.358707| |1.422052|1.499180|1.702013|3.183895|2.448908|2.069931|3.069616|3.635372|2.716038|15.751952|23.781485|4.311870|6.077397|10.420340|10.741786|18.550138|8.228088|9.809541|8.071312|19.232590|36.858105| |1.487974|1.559225|1.779019|3.366794|2.534855|2.146833|3.190963|3.776206|2.808198|16.266853|24.226491|4.374168|5.719169|9.560884|9.205201|11.293511|5.527234|7.473088|5.417288|11.291878|16.024842|73.516695| |1.160164|1.223735|1.353394|2.476146|1.953620|1.601814|2.343029|2.657460|1.963135|11.963782|16.209814|2.705266|3.351408|5.946871|5.536324|7.571063|7.517742|11.024417|12.332579|10.465234|5.519181|7.499834|36.858105| |1.173687|1.239204|1.370719|2.507051|1.978882|1.620383|2.398136|2.709878|1.961759|11.880572|15.820007|2.710176|3.252474|5.498735|5.600625|7.301360|6.279841|9.585350|7.340427|8.605902|5.307575|7.599789|12.462868|36.858105| |1.211476|1.276819|1.418448|2.604114|2.047131|1.690060|2.428466|2.783053|2.131893|13.071879|18.470278|2.931441|3.813147|7.549342|5.658843|7.610311|7.568569|10.995570|12.412163|10.423807|5.538628|7.499291|7.504186|4.843440|36.858105| |1.206469|1.262263|1.400631|2.587852|2.003054|1.648691|2.344316|2.673291|2.072929|12.889980|18.044191|2.763720|3.532342|7.254407|4.962937|6.320501|5.323106|7.895312|7.468968|9.170118|5.056103|7.338703|5.263272|3.842300|13.732773|36.858105| |1.158008|1.208480|1.332201|2.453716|1.900181|1.551536|2.180298|2.458797|1.921830|12.207877|16.563294|2.438997|2.999060|6.191100|4.073480|4.849940|4.017878|6.441892|4.976757|6.152731|3.734562|5.742235|4.000990|3.075439|7.901037|13.728275|36.858105| |1.118987|1.172419|1.286318|2.350561|1.844218|1.498911|2.101577|2.356340|1.837924|11.759485|15.661541|2.289242|2.763689|5.615408|3.761695|4.370686|3.754233|6.397750|4.402663|5.104107|3.194034|4.915139|3.757695|2.897869|6.821913|7.930793|13.788260|36.858105| |1.123721|1.184925|1.301107|2.364517|1.880111|1.531292|2.163529|2.432993|1.881000|11.911553|15.963497|2.385118|2.896970|5.762080|4.044049|4.741562|4.346787|7.766459|4.995634|5.294313|3.307629|4.964048|4.363767|3.260171|7.899456|6.894683|7.969889|13.738291|36.858105| |1.167262|1.234841|1.363828|2.482353|1.978352|1.623322|2.321765|2.637960|2.020185|12.533356|17.258460|2.682819|3.363611|6.578696|4.902034|6.074280|6.152977|10.803837|7.514204|6.865005|4.116774|5.883182|6.177988|4.218572|13.667118|7.964426|6.893760|7.930979|13.782388|36.858105| |4.331573|6.588754|7.630085|9.483860|17.948577|7.792134|8.097513|5.948994|4.142399|37.425939|21.650042|2.699625|2.240146|3.749582|2.780883|2.433790|1.665000|3.014548|1.486058|2.048628|1.663781|3.022532|1.370195|1.385992|1.431391|1.392878|1.328981|1.302476|1.335029|1.399020|36.858105| |4.002855|5.813313|5.731672|7.619620|10.161122|5.308577|6.502741|4.939990|3.310410|27.045102|18.183614|2.379639|2.009800|3.345076|2.554353|2.254359|1.551001|2.815328|1.390326|1.912378|1.544590|2.802422|1.297404|1.323008|1.332551|1.291162|1.230743|1.209284|1.244079|1.305863|12.705877|36.858105| |3.321743|4.516231|5.057303|7.135904|10.210412|6.299794|7.962593|6.012587|3.969683|31.578515|21.188376|2.761014|2.288755|3.778146|2.886416|2.511784|1.729316|3.166977|1.528360|2.087576|1.694308|3.050402|1.418258|1.443135|1.462811|1.407342|1.337520|1.318216|1.364719|1.438265|12.740172|12.770801|36.858105| |17.558601|8.859217|5.512036|8.840189|5.623313|3.276791|3.873800|3.300878|2.397682|20.431506|14.260484|1.820875|1.603446|2.754670|2.027288|1.845850|1.262278|2.232202|1.170961|1.646397|1.316999|2.440174|1.090910|1.103536|1.135927|1.130813|1.089031|1.055757|1.060588|1.098554|3.840453|3.728229|3.046557|0.500000| |17.593071|8.794381|6.839412|12.265970|6.365597|3.808768|4.326245|3.724179|2.785213|24.839637|16.434174|2.038147|1.782365|3.080964|2.218251|2.011491|1.365894|2.402672|1.265856|1.789569|1.439394|2.680453|1.167738|1.174967|1.231417|1.232995|1.187211|1.145061|1.144600|1.184876|3.981153|3.517191|3.064240|0.300866|0.500000| |17.602999|8.802784|6.855729|12.507553|6.314061|3.765027|4.500960|3.786193|2.710006|22.747333|15.834393|2.035936|1.770463|3.015944|2.234579|2.020588|1.365083|2.396741|1.263565|1.793167|1.448277|2.711731|1.172783|1.192047|1.216312|1.211618|1.158059|1.114656|1.118971|1.166480|3.882617|3.684420|3.108057|0.300768|0.302769|0.500000| |8.815508|17.546635|8.927631|10.922680|9.581448|4.744867|5.138564|4.179263|3.061657|28.154101|17.339688|2.150434|1.852155|3.169834|2.308754|2.070930|1.418275|2.532532|1.296054|1.805781|1.452125|2.666012|1.199029|1.208093|1.259158|1.244709|1.197871|1.167664|1.180510|1.224637|7.084254|5.966658|4.658120|0.213147|0.209829|0.172810|0.500000| |8.823517|17.566243|8.958380|11.093590|9.399301|4.659556|5.433903|4.265684|2.962889|25.226338|16.643646|2.147654|1.838803|3.099599|2.326856|2.080674|1.417280|2.525400|1.293566|1.809429|1.461156|2.696568|1.204391|1.226459|1.243112|1.222897|1.168180|1.135701|1.152622|1.204457|6.562181|6.887815|4.808767|0.213219|0.172817|0.210237|0.305365|0.500000| |2.000441|2.240353|2.697915|4.912341|4.231636|3.987718|6.550915|9.714478|6.726302|29.935194|56.308855|17.624346|8.884172|10.875227|9.831125|6.530859|3.999180|7.193009|3.095882|4.266779|3.850364|6.742608|2.651384|2.693807|2.780353|2.565264|2.280904|2.182289|2.313255|2.608495|2.832171|2.522728|2.997771|0.050346|0.055486|0.055820|0.060278|0.060693|0.500000| |2.094389|2.292858|2.799601|5.328663|4.200212|3.959244|6.445719|9.437136|6.652242|29.916715|56.383620|17.602277|8.903695|11.044489|9.533172|6.579815|3.735579|6.230653|3.058329|4.515085|4.281711|8.220700|2.593896|2.657531|2.717326|2.593089|2.280574|2.119053|2.187433|2.455853|2.684456|2.389357|2.718228|0.052177|0.058499|0.059445|0.060510|0.061547|0.302761|0.500000| |1.651760|1.787384|2.074108|3.836656|3.082796|2.694842|4.235191|5.316293|3.717597|19.773407|31.426699|7.491992|9.227876|10.856088|26.045169|12.981203|6.221223|9.852996|4.475997|6.491529|6.681621|11.202867|3.753558|4.040286|3.544857|3.143241|2.623941|2.440263|2.616638|3.126422|2.085095|1.934549|2.181560|0.042140|0.045826|0.046759|0.047794|0.048843|0.204394|0.207363|0.500000| |1.247081|1.300410|1.450567|2.704480|2.062406|1.703083|2.477282|2.834173|2.126040|12.918097|17.968843|2.972521|3.776605|6.949642|5.927693|8.289356|5.829443|7.688327|8.749763|26.083014|9.339608|12.976842|6.709644|5.702853|6.456126|6.421213|4.435377|3.593733|3.598851|4.439620|1.416223|1.326346|1.436071|0.032360|0.035137|0.035242|0.035138|0.035243|0.076142|0.081958|0.109882|0.500000| |1.107582|1.161462|1.278593|2.344521|1.832798|1.493112|2.168265|2.437662|1.808120|11.167940|14.837544|2.417759|2.941314|5.311003|4.673326|6.133674|5.519040|8.308437|8.930736|9.444075|4.824447|6.897802|17.535668|8.830812|6.977200|5.431270|4.177882|3.844619|4.287337|5.676573|1.284780|1.217916|1.322106|0.028989|0.031025|0.031123|0.031617|0.031718|0.065238|0.065031|0.088801|0.193699|0.500000| |1.131151|1.196870|1.318880|2.398216|1.911878|1.562126|2.278061|2.571498|1.901468|11.663007|15.614071|2.569847|3.134163|5.585343|5.065271|6.528741|6.788963|11.575725|8.885553|7.650276|4.446587|6.258417|17.608526|8.874985|7.035157|4.806385|3.885221|3.880557|4.804814|7.003161|1.351699|1.282252|1.406022|0.029617|0.031598|0.031651|0.032707|0.032763|0.071091|0.067535|0.095360|0.137921|0.304364|0.500000| |1.222915|1.299625|1.442603|2.628322|2.098979|1.727065|2.580153|2.933016|2.102309|12.579617|16.880980|2.965512|3.541962|5.804677|6.353844|8.019569|6.933532|11.253017|6.580061|7.603284|5.231708|7.512955|8.753009|17.554730|4.448630|3.511932|2.860629|2.739551|3.119885|4.024386|1.473232|1.408086|1.546829|0.031896|0.033903|0.034479|0.035184|0.035821|0.083584|0.080234|0.130254|0.133467|0.172545|0.211871|0.500000| |1.196749|1.258253|1.394840|2.567208|2.001940|1.640929|2.433336|2.751117|1.986479|12.006415|15.983768|2.754943|3.293034|5.530122|5.680189|7.409473|5.633429|8.206088|6.638296|9.505233|5.983212|8.845846|8.735165|17.570651|4.437352|3.741137|2.972323|2.723829|2.958104|3.709801|1.391497|1.327528|1.440778|0.031199|0.033295|0.033904|0.033927|0.034565|0.074885|0.076661|0.116084|0.184636|0.208800|0.172869|0.300775|0.500000| |1.107009|1.166380|1.281144|2.335593|1.844810|1.497117|2.207166|2.462172|1.776740|10.904864|14.094826|2.365542|2.755038|4.685851|4.576868|5.604808|4.726482|7.739781|5.418438|6.494746|4.098266|6.195355|8.854852|17.564062|4.062600|3.332344|2.773108|2.662150|2.990293|3.728832|1.299160|1.248113|1.354923|0.029023|0.030731|0.031229|0.031620|0.032156|0.065844|0.064677|0.092990|0.126743|0.214510|0.214070|0.302797|0.302308|0.500000| |1.234487|1.285845|1.430743|2.662273|2.033874|1.676909|2.387471|2.726726|2.113069|13.104887|18.407549|2.833762|3.624407|7.420019|5.078527|6.496455|4.998539|7.161862|6.901409|10.577325|5.739300|8.556263|4.898173|3.789023|8.898708|17.762104|8.967265|5.662248|4.967296|5.650390|1.403046|1.299393|1.410057|0.032069|0.035092|0.034571|0.035071|0.034555|0.071839|0.075211|0.089977|0.223937|0.142596|0.118183|0.095401|0.107344|0.090629|0.500000| |1.146684|1.189901|1.308680|2.419221|1.853912|1.507660|2.104727|2.359593|1.852274|11.906222|15.868827|2.292365|2.762947|5.704471|3.689958|4.284520|3.391895|5.449270|4.068631|5.387655|3.377076|5.395087|3.373894|2.709681|5.637476|8.931939|17.718169|8.920364|5.655467|4.962913|1.292971|1.195834|1.292177|0.029971|0.032767|0.031863|0.032760|0.031864|0.059133|0.060138|0.066810|0.111538|0.098942|0.089928|0.070132|0.074213|0.068616|0.217384|0.500000| |1.081324|1.130194|1.233583|2.250048|1.763569|1.424062|1.982299|2.203704|1.723240|11.188190|14.518014|2.080931|2.452137|4.951238|3.296217|3.725763|3.115844|5.401301|3.526433|4.233080|2.724984|4.298915|3.120287|2.500184|4.925484|5.639776|8.916382|17.718156|8.900048|5.642029|1.250051|1.161130|1.261332|0.028415|0.030791|0.029851|0.031363|0.030379|0.055283|0.053682|0.060131|0.083956|0.089072|0.089815|0.066110|0.065731|0.064835|0.124475|0.214608|0.500000| |1.089247|1.150675|1.257440|2.272620|1.821091|1.475013|2.078023|2.319315|1.788474|11.428806|14.960106|2.213995|2.624037|5.135679|3.650522|4.151962|3.755897|7.021216|4.085124|4.428252|2.852766|4.357762|3.774672|2.941771|5.634062|4.963422|5.657813|8.905404|17.718162|8.949614|1.302991|1.217910|1.336843|0.028641|0.030778|0.030050|0.031954|0.031145|0.060448|0.056327|0.066520|0.084089|0.102280|0.118872|0.079435|0.073672|0.076582|0.107771|0.124179|0.214378|0.500000| |1.163285|1.236363|1.364070|2.469597|1.990097|1.631718|2.347907|2.664067|2.018819|12.470347|17.018830|2.688200|3.324629|6.275887|4.975390|6.058709|6.457983|12.810352|6.987609|6.263731|3.904592|5.591428|6.465854|4.522690|8.887702|5.655447|4.966212|5.655832|8.968704|17.754286|1.415446|1.327530|1.468305|0.030446|0.032670|0.032279|0.034076|0.033634|0.074206|0.068095|0.089252|0.111116|0.153416|0.232167|0.124145|0.105801|0.112057|0.124019|0.107752|0.124378|0.217183|0.500000| |4.216256|6.151478|6.493472|8.482699|12.197990|6.256758|6.489617|5.182802|3.811574|36.024332|20.735210|2.525377|2.133349|3.626266|2.633761|2.326381|1.603864|2.909103|1.438784|1.976152|1.593608|2.882745|1.324970|1.330334|1.398945|1.366744|1.313555|1.291847|1.320238|1.373502|17.681340|8.639915|8.679731|0.106125|0.111425|0.101370|0.209937|0.159256|0.072897|0.068854|0.054264|0.038008|0.034608|0.036412|0.039127|0.037003|0.034685|0.038137|0.035586|0.034598|0.035897|0.038508|0.500000| |3.780738|5.242171|4.714651|6.492766|7.561076|4.189027|5.150992|4.136690|2.842944|23.225985|16.197584|2.119192|1.824001|3.063565|2.328871|2.077587|1.441290|2.621853|1.300242|1.782005|1.427810|2.581332|1.218745|1.239593|1.252823|1.215670|1.164883|1.148875|1.181012|1.233400|8.601304|17.710485|8.555009|0.102214|0.092539|0.094918|0.159510|0.172206|0.062140|0.058774|0.048761|0.034433|0.031879|0.033562|0.036537|0.034473|0.032619|0.033904|0.031487|0.030761|0.032234|0.034834|0.212954|0.500000| |4.171356|5.932782|5.840452|7.925670|9.488826|5.087339|6.573624|4.914181|3.202973|25.294982|17.624352|2.357148|1.987994|3.285897|2.548459|2.249052|1.538194|2.777073|1.382122|1.912227|1.549180|2.828514|1.293773|1.328070|1.316210|1.275519|1.210775|1.184865|1.218128|1.283413|8.627094|17.728035|8.669878|0.107278|0.098769|0.110969|0.153054|0.214755|0.069196|0.066891|0.054102|0.036925|0.033764|0.035385|0.039259|0.037180|0.034831|0.035797|0.032698|0.031538|0.033035|0.036232|0.171604|0.292093|0.500000| 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