Version2.4 2021-05-25T22:18:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 25-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(c(c2)C)Br C12573514 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(c(c2)C)Br C01[X(C22H25Br1N4O4S1)] 165 C1 549 O=C(NNC(=S)NC(=O)COc1ccc(c(c1)C)Br)CCC(=O)Nc1ccc(cc1C)C O=C(NNC(=S)NC(=O)COc1ccc(c(c1)C)Br)CCC(=O)Nc1ccc(cc1C)C Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Br)c(C)c2)c(C)c1 InChIKey=MJERVYIRJSCDCG-UHFFFAOYSA-N InChI=1S/C22H25BrN4O4S/c1-13-4-7-18(15(3)10-13)24-19(28)8-9-20(29)26-27-22(32)25-21(30)12-31-16-5-6-17(23)14(2)11-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30,32) InChI=1/C22H25BrN4O4S/c1-13-4-7-18(15(3)10-13)24-19(28)8-9-20(29)26-27-22(32)25-21(30)12-31-16-5-6-17(23)14(2)11-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30,32)/f/h24-27H Cc1ccc(c(c1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(c(c2)C)Br C01[X(C22H25Br1N4O4S1)] 165 C01 549 O=C(NNC(=S)NC(=O)COc1ccc(c(c1)C)Br)CCC(=O)Nc1ccc(cc1C)C O=C(NNC(=S)NC(=O)CO[C]1[CH][CH][C]([C]([CH]1)C)Br)CCC(=O)N[C]1[CH][CH][C]([CH][C]1C)C C[C]1[CH][CH][C](NC(=O)CCC(=O)NNC(=S)NC(=O)CO[C]2[CH][CH][C](Br)[C](C)[CH]2)[C](C)[CH]1 InChIKey=MJERVYIRJSCDCG-UHFFFAOYSA-N InChI=1S/C22H25BrN4O4S/c1-13-4-7-18(15(3)10-13)24-19(28)8-9-20(29)26-27-22(32)25-21(30)12-31-16-5-6-17(23)14(2)11-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30,32) InChI=1/C22H25BrN4O4S/c1-13-4-7-18(15(3)10-13)24-19(28)8-9-20(29)26-27-22(32)25-21(30)12-31-16-5-6-17(23)14(2)11-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30,32)/f/h24-27H 3425.0014858842 -4332.3240332 1-A 39363.4958 134 415 549 |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|A|A|A|A|A|A|A|A|A|A| -490.06407 -91.88521 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1.3876 1.3930 1.5161 1.7256 1.7048 6.0846 3.3759 2.2565 2.3913 1.5052 1.5324 1.5353 3.1349 2.8490 2.8479 2.3653 1.9624 1.9318 3.4595 1.3848 2.2560 2.6628 2.0935 2.1492 2.1036 3.1488 1.9297 2.5902 1.0905 1.4337 1.1670 2.6339 3.0378 2.1555 1.5680 1.2424 1.3275 1.6120 2.0739 1.9191 1.7711 1.1117 1.1460 1.4915 1.0443 1.1177 1.0921 1.1138 1.1320 1.1981 1.5175 1.4767 1.8087 1.3705 2.3113 1.6479 5.7016 4.4572 5.9901 5.5808 9.0269 10.6425 10.8769 1.0477 1.0569 1.0397 1.0366 1.1059 1.0675 1.0631 1.0938 1.0987 1.0990 1.1036 1.1024 1.1008 1.0993 1.1038 1.0914 1.0916 1.0899 1.0926 1.0957 1.0939 1.0788 1.0787 1.0766 1.0779 0.0001 0.0001 0.0001 0.0008 0.0002 0.0015 0.0029 0.0032 0.0061 0.0075 0.0139 0.0083 0.0117 0.0229 0.0236 0.0519 0.0457 0.1633 0.0540 0.0974 0.0196 0.1186 0.0372 0.0481 0.0640 0.1644 0.0959 0.2966 0.2541 0.1611 0.3252 0.3059 0.4237 0.6236 0.4978 0.4247 0.4034 0.5641 0.6032 0.4137 0.3879 0.4302 0.2337 0.6972 0.6151 0.5150 1.0347 0.8724 0.3932 0.3925 0.7008 0.5269 0.7993 0.5845 1.2287 0.6330 1.0581 1.4658 0.8847 1.8373 1.9784 1.1415 1.2819 2.5025 1.4589 1.0085 1.3739 2.2616 0.6954 0.7395 0.7787 0.8453 2.0986 2.4075 3.2652 2.8180 3.3034 0.9587 0.9734 1.0737 1.2479 1.2399 4.4522 2.5823 1.7388 1.8505 1.2108 1.2413 1.2492 2.7047 2.5426 2.5509 2.1673 1.8100 1.7945 3.3707 1.3661 2.2439 2.6802 2.1418 2.2142 2.2767 3.5908 2.2281 2.9955 1.2735 1.7524 1.4346 3.2604 3.8357 2.8009 2.2588 1.7975 1.9263 2.3482 3.0336 2.8169 2.6498 1.6985 1.7716 2.3286 1.6396 1.7604 1.7223 1.7570 1.7943 1.9217 2.4696 2.4185 2.9943 2.2897 4.0140 2.9764 10.5444 8.4473 11.5588 10.9377 20.4446 25.4873 27.8619 6.2662 6.3257 6.2796 6.3299 6.7908 6.5572 6.5514 6.7748 6.8685 6.9082 6.9925 6.9860 6.9976 7.0206 7.0850 7.2202 7.2640 7.3905 7.4194 7.5050 7.6114 9.2745 9.3879 9.3782 9.5753 0.2340 0.4917 0.6331 0.3347 1.2272 0.0479 4.4049 1.2625 2.9716 1.1537 4.0032 2.2833 1.1852 12.2511 4.8961 2.6045 4.8491 0.4171 1.7294 3.1524 0.0659 0.1140 1.3121 2.6505 1.8286 1.4590 0.1331 0.0550 10.2379 0.0541 13.1035 8.4080 9.1883 8.6958 2.0774 21.9242 6.3144 14.0780 10.9062 9.0112 3.7624 4.6410 81.6286 28.8821 10.0007 44.8486 7.1876 3.4083 26.9629 45.5124 2.6185 12.5425 0.4416 2.1991 23.6273 12.9976 144.6432 39.3744 128.3553 17.8812 3.8438 0.0261 6.4413 12.1059 62.7638 12.3742 30.9588 24.4984 37.2445 33.4743 3.2011 28.5877 1.1011 7.0230 2.2534 16.6696 17.5315 0.1800 1.0251 3.0668 1.3007 1.1830 40.8558 6.9626 9.4328 0.7202 2.1782 9.6324 3.2222 18.3065 37.2353 63.4348 188.0097 2.1525 197.2651 292.2021 5.1503 151.2577 201.1331 32.9671 20.2417 25.1102 451.4542 122.1392 126.2025 4.4775 15.5822 40.1556 282.0676 149.0427 168.3702 18.8067 4.2992 8.2800 19.6153 64.1087 8.7856 2.9476 18.9686 5.4387 21.0170 6.9957 14.9463 9.5014 37.8064 43.3349 125.7388 129.4168 195.3787 3.7787 184.6345 538.1616 554.4207 59.1912 71.8630 62.0820 1.7382 267.6714 170.9992 204.0691 41.8166 37.9719 44.5280 19.3280 28.3873 0.2585 19.4762 29.5591 31.8409 0.7414 23.5986 14.9796 15.7480 21.7201 22.0136 27.1154 20.0016 10.7289 1.8093 12.5296 1.8897 40.3658 55.2978 92.0493 33.9965 2.5055 3.3680 3.4085 3.0988 0.5812 0.4292 0.4649 3.1450 0.6635 0.5248 0.9135 2.8788 0.5724 0.2168 0.6431 0.3231 0.3391 2.8483 1.2742 0.6352 0.2587 2.2679 0.5091 0.7143 2.0924 0.6869 1.8175 0.2047 0.8783 0.5447 1.4628 0.3753 1.3973 1.9462 2.3588 0.4944 3.6473 0.4982 0.7967 0.3409 0.4475 0.1453 7.5003 4.3581 2.6742 0.6986 11.3585 7.0833 4.7279 0.2757 1.7795 0.5811 1.7685 1.6026 5.9455 2.4198 2.5139 0.9363 8.2463 12.3507 13.2980 0.0664 1.6423 1.3328 4.3462 2.3533 4.0402 12.2973 1.4043 1.2926 3.7609 1.7178 9.0278 12.7414 0.7609 18.4559 2.1859 1.2099 1.4121 2.3392 5.1675 0.8318 8.3355 3.5611 1.6524 0.7276 1.4111 1.2915 0.6874 11.2387 7.3795 2.2319 3.7429 5.3019 1.1933 0.7792 0.5020 2.7545 8.6615 10.3827 1.2533 1.2116 3.6291 25.6301 12.2678 13.1417 3.1959 15.8104 9.1168 16.7131 5.9563 13.0158 12.4883 7.1112 7.7684 7.0694 4.8943 7.2992 6.4183 11.4917 2.8854 17.5317 12.5088 14.0837 17.6706 19.4501 3.9689 11.7164 4.5869 7.3823 0.4635 8.7517 11.7926 24.2636 21.1905 30.8783 81.1942 14.1829 4.3491 11.8358 124.6005 66.8899 193.3706 130.3734 30.2733 134.7410 2.2564 72.2695 95.0646 75.6133 69.6606 70.4879 1.2959 62.1300 58.2100 93.5631 95.2695 29.2207 88.7726 119.9631 69.4116 75.9900 16.6439 79.6082 46.8267 0.7493 0.7492 0.7499 0.7486 0.7376 0.7497 0.7248 0.6952 0.5890 0.7487 0.7494 0.6976 0.7233 0.7448 0.7493 0.7159 0.6012 0.3693 0.6188 0.7496 0.7493 0.1579 0.7327 0.7211 0.7467 0.2430 0.7494 0.6728 0.7472 0.6678 0.3828 0.7500 0.0793 0.5304 0.7500 0.6204 0.6969 0.3702 0.7190 0.6725 0.2582 0.7492 0.3995 0.7500 0.6041 0.7080 0.2915 0.4396 0.2209 0.7462 0.7102 0.7462 0.5986 0.2098 0.3101 0.4504 0.6539 0.7387 0.3000 0.2043 0.1326 0.6773 0.5980 0.4628 0.3166 0.7110 0.2659 0.1634 0.7492 0.4970 0.5755 0.7500 0.1475 0.1508 0.2271 0.1412 0.6813 0.7496 0.6779 0.6552 0.6769 0.1806 0.1866 0.3933 0.1966 0.7251 0.6985 0.3455 0.7499 0.1139 0.1247 0.2683 0.7422 0.6440 0.7269 0.7412 0.5597 0.3352 0.1827 0.5014 0.6698 0.2391 0.1778 0.1356 0.3241 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0.5645 0.3286 0.8406 0.8225 0.5136 0.8571 0.2044 0.2218 0.4230 0.8520 0.7835 0.8419 0.8514 0.7177 0.5021 0.3090 0.6679 0.8023 0.3859 0.3019 0.2388 0.4895 0.8244 0.5541 0.8397 0.3356 0.7939 0.7366 0.4456 0.8254 0.7175 0.5685 0.7294 0.8119 0.5941 0.7854 0.7605 0.7617 0.8571 0.7959 0.8545 0.8391 0.8571 0.7034 0.8486 0.8240 0.6714 0.3966 0.6523 0.6902 0.7399 0.5200 0.7688 0.7171 0.4137 0.5882 0.4050 0.1125 0.0744 0.1087 0.0313 0.8335 0.2089 0.2021 0.7275 0.8450 0.7830 0.8569 0.8571 0.6531 0.7943 0.8566 0.4983 0.4695 0.6815 0.5757 0.2636 0.3738 0.2808 0.5055 0.2488 0.2353 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 6 6 6 6 6 6 6 6 7 6 8 6 6 6 8 7 7 6 16 7 6 8 6 8 6 6 6 6 6 6 6 35 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 14.00307 12.00000 31.97207 14.00307 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 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 19827.9064 56098.1146 74389.6892 0.99933 0.03658 0.00196 -0.03658 0.99933 -0.00010 -0.00197 0.00003 1.00000 1 0.00437 0.00154 0.00116 0.09102 0.03217 0.02426 7.65 9.01 10.29 22.13 27.19 30.95 41.64 49.17 56.82 68.74 72.56 85.49 106.03 142.33 144.68 174.87 187.87 208.05 211.80 246.38 252.04 256.47 265.36 288.81 322.01 325.94 340.26 383.20 405.37 432.81 454.48 472.24 500.99 512.71 517.57 551.91 564.02 615.15 692.28 711.65 720.84 722.29 769.52 794.97 817.15 834.59 850.43 854.46 863.06 881.94 891.78 926.62 939.18 939.55 951.23 976.57 1002.90 1046.55 1100.03 1125.37 1135.82 1144.05 1146.94 1206.89 1229.53 1273.86 1287.39 1302.51 1320.28 1347.96 1434.79 1439.65 1450.03 1490.31 1510.26 1531.53 1554.49 1558.04 1566.90 1577.40 1594.04 1598.53 1603.39 1639.39 1645.43 1648.92 1681.15 1687.03 1690.77 1741.06 1770.77 1773.99 1794.27 1800.16 1806.55 1850.20 1861.71 1869.42 1880.52 1895.95 1902.57 1950.02 2001.67 2014.17 2015.77 2025.57 2072.34 2078.26 2085.45 2106.26 2136.71 2249.77 2254.59 2257.97 2262.30 2266.98 2270.93 2292.75 2316.87 2330.52 2342.07 2348.65 2352.39 2353.96 2354.23 2359.87 2373.86 2391.21 2398.82 2411.74 2422.77 2470.19 2519.16 2549.07 2580.46 2603.80 2624.13 2820.91 2900.74 3000.00 4584.05 4585.72 4606.58 4631.86 4644.72 4645.67 4653.23 4664.87 4686.67 4699.40 4718.12 4718.52 4725.98 4736.94 4748.82 4821.13 4835.30 4881.11 4884.45 4905.77 4944.49 5495.88 5529.73 5532.37 5586.75 0.483980 0.515848 0.516792 0.407939 -4331.840053 -4331.808186 -4331.807241 -4331.916094 3.650948D-04 MUNgauss RevisionA2.1 retrievium 25-May-2021 DUDE Cc1ccc(c(c1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(c(c2)C)Br C12573514 RHF 6-31G(d) (6D,10F) C1 520.077988 |X|Y|Z| 98.867584 170.237555 24.671619 74.605180 24 6 7 8 19 4 1 |36.858105| |12.608009|36.858105| |7.540975|13.739004|36.858105| |5.009210|7.893772|13.771472|36.858105| |4.421029|6.807828|7.936045|13.740429|36.858105| |4.993473|7.828186|6.854430|7.905712|13.646068|36.858105| |7.548308|13.722769|8.021244|6.928450|7.966938|13.729418|36.858105| |3.785282|5.001201|4.439329|5.004721|7.507070|12.597593|7.579032|36.858105| |3.326118|4.517830|5.136730|7.783533|13.426114|7.875152|5.174107|6.654374|53.358707| |2.860464|3.682571|4.324437|6.257213|7.652910|5.211677|3.937868|4.650373|19.101734|36.858105| |2.883267|3.659300|4.501118|6.456499|6.563260|4.555991|3.697432|3.891751|11.452789|15.884335|73.516695| |2.359955|2.900704|3.243492|4.227765|5.026877|3.996497|3.138327|3.963796|10.753531|12.518856|14.209966|36.858105| |2.084562|2.484841|2.788444|3.479846|3.816001|3.142709|2.608081|3.082653|6.952862|7.582621|12.353369|12.516505|36.858105| |1.811150|2.110639|2.310088|2.771310|3.034098|2.628701|2.226606|2.667135|5.268281|4.930851|7.982928|7.572843|12.593096|36.858105| |1.758156|2.042674|2.197773|2.610555|2.917194|2.590848|2.186330|2.706893|5.066665|4.424009|6.847796|6.805716|7.939728|16.015723|73.516695| |1.648083|1.887571|2.066721|2.422798|2.568927|2.252579|1.959138|2.257691|4.237518|3.858740|6.704452|5.066907|7.838117|13.709831|15.035132|53.358707| |1.485007|1.678540|1.809977|2.079014|2.207243|1.985316|1.747668|2.019885|3.556407|3.080816|5.305171|3.894250|5.152141|8.007550|12.557961|18.861196|53.358707| |1.385229|1.553181|1.670651|1.899650|1.999049|1.810074|1.609458|1.838055|3.173752|2.682340|4.615707|3.303504|4.069460|5.748180|9.979696|10.776515|18.966519|36.858105| |1.256797|1.394809|1.480411|1.658228|1.750001|1.616488|1.450753|1.660956|2.731109|2.238924|3.833002|2.684393|3.112912|4.086939|7.603982|6.663354|9.962225|11.552382|388.023441| |1.411866|1.583933|1.721123|1.962094|2.036092|1.822180|1.625678|1.822486|3.222633|2.739318|4.764906|3.325881|4.081450|5.409724|9.011765|9.753132|11.392047|13.977322|49.983849|53.358707| |1.322421|1.470093|1.593283|1.794053|1.842591|1.661349|1.499558|1.655149|2.862117|2.377394|4.153234|2.787519|3.241902|3.960896|6.838525|6.432966|7.132432|7.624772|41.327138|18.533749|36.858105| |1.225960|1.352701|1.453830|1.620090|1.665826|1.520425|1.381602|1.523863|2.559294|2.091608|3.647549|2.420045|2.751975|3.314158|5.869419|5.257976|6.073570|6.434555|43.314145|11.298426|16.204643|73.516695| |1.376862|1.531629|1.676486|1.890179|1.913640|1.707962|1.547444|1.676906|2.954514|2.453890|4.326619|2.814431|3.210711|3.681189|6.236090|5.664476|5.625031|5.103972|28.519257|10.805683|12.488189|14.171796|36.858105| |1.274095|1.402318|1.526136|1.695658|1.704973|1.538533|1.410410|1.509585|2.584248|2.104159|3.724564|2.351580|2.609196|2.907639|5.008779|4.378364|4.435763|3.943221|24.318182|7.243856|8.078214|12.806886|13.791467|73.516695| |1.277809|1.400305|1.528725|1.687733|1.677965|1.513144|1.397518|1.471707|2.512710|2.026240|3.607236|2.213512|2.403935|2.583806|4.443106|3.779685|3.720367|3.145084|19.663667|5.461037|5.226771|8.491346|8.052150|25.064081|36.858105| |1.379186|1.516856|1.672504|1.853472|1.822932|1.627029|1.503243|1.564208|2.722974|2.199554|3.938877|2.368904|2.544526|2.652549|4.511887|3.793519|3.597057|2.928736|17.895455|5.034815|4.398969|6.840108|6.729941|13.981342|13.785250|36.858105| |1.349180|1.470648|1.619244|1.770911|1.723512|1.547604|1.446152|1.479013|2.529416|2.010547|3.615580|2.114735|2.224483|2.268831|3.880145|3.193202|3.027363|2.414123|15.134929|3.967033|3.338312|5.406609|4.517307|9.254923|7.980964|13.708761|36.858105| |1.233285|1.332346|1.452816|1.571701|1.534425|1.394540|1.311852|1.340623|2.234387|1.758706|3.155636|1.846183|1.935670|1.989048|3.433253|2.811338|2.718715|2.181052|14.064042|3.506331|2.984472|5.035364|3.808507|8.251309|6.909280|7.934546|13.858425|36.858105| |1.157260|1.248988|1.352872|1.463579|1.441822|1.318258|1.237566|1.278639|2.108855|1.662083|2.969695|1.765095|1.866443|1.954184|3.393804|2.797875|2.763826|2.260143|14.844679|3.629039|3.195185|5.578470|3.983599|9.393333|7.866216|6.782193|7.881506|13.630565|36.858105| |1.177276|1.278373|1.385234|1.511224|1.500434|1.367837|1.274143|1.333817|2.220096|1.766695|3.145777|1.907677|2.046637|2.186497|3.797046|3.179632|3.179727|2.667858|17.427226|4.399469|4.095123|7.207945|5.291114|14.625951|13.688969|7.930167|6.927313|8.020687|13.790002|36.858105| |1.063656|1.139408|1.225194|1.313686|1.295493|1.195501|1.129281|1.163609|1.880238|1.469248|2.623063|1.551671|1.631084|1.705965|2.980541|2.436790|2.432541|1.978481|13.322875|3.087774|2.670954|4.801594|3.122296|7.028797|5.013558|4.413159|5.001091|7.486023|12.633100|7.598515|36.858105| |1.188169|1.269590|1.378796|1.469821|1.423084|1.303661|1.241235|1.247490|2.037782|1.580952|2.844892|1.628255|1.680448|1.698352|2.940072|2.369972|2.285211|1.797749|11.752840|2.803408|2.301727|3.926110|2.773474|5.637004|4.087825|4.599153|6.736979|10.007767|6.627164|4.592916|5.982362|2539.412838| |17.529223|8.841113|6.242010|4.437348|3.973268|4.439875|6.273065|3.498632|4.187371|2.710507|4.927765|2.249347|2.017846|1.755297|3.015903|2.189389|1.977468|1.350362|8.732823|1.864860|1.280726|2.115169|1.326751|2.184126|1.228449|1.319755|1.288790|1.181741|1.113044|1.133938|1.025515|38.713958|0.500000| |17.567099|8.831815|5.644345|4.198907|3.956838|4.688866|7.074766|3.766870|4.180702|2.621130|4.601384|2.214750|1.949570|1.717671|2.995144|2.125173|1.930227|1.328481|8.631250|1.837603|1.268588|2.099421|1.316890|2.173725|1.225896|1.318198|1.291336|1.185571|1.115289|1.133602|1.028588|38.959145|0.302115|0.500000| |17.569553|8.838252|7.087033|4.701536|3.953655|4.177999|5.638777|3.242807|4.172213|2.698095|4.901437|2.241235|2.002462|1.745308|3.001896|2.178031|1.963131|1.353215|8.721245|1.890050|1.308400|2.156081|1.371832|2.266528|1.286774|1.395693|1.374859|1.256742|1.173493|1.187688|1.078879|41.475082|0.302164|0.301745|0.500000| |6.975263|8.914200|17.703657|8.969864|5.656525|4.941429|5.674536|3.549340|5.675560|3.753276|7.206257|2.904119|2.581728|2.158548|3.627126|2.674247|2.349217|1.602892|10.106669|2.262089|1.549612|2.516704|1.641454|2.673337|1.516731|1.666697|1.627040|1.461203|1.354293|1.378709|1.227952|47.550566|0.166956|0.143068|0.212316|0.500000| |4.090687|5.636544|8.936502|17.796292|8.939525|5.638660|4.986944|4.082457|9.697497|6.790665|13.995203|4.493062|3.811745|2.965289|4.860237|3.554823|3.003687|2.015798|12.346976|2.869717|1.924760|3.063321|2.051184|3.251725|1.826299|2.026424|1.930818|1.696128|1.569771|1.622320|1.398638|53.682358|0.103615|0.096854|0.111716|0.216853|0.500000| |7.023838|8.942392|5.683054|4.978845|5.665538|8.972644|17.693324|7.098592|5.712560|3.315107|5.520785|2.767391|2.334818|2.037698|3.593453|2.456607|2.219441|1.507987|9.770118|2.061585|1.402732|2.312851|1.439476|2.345681|1.306204|1.396263|1.346367|1.229807|1.164961|1.198006|1.068848|39.742135|0.169174|0.212853|0.143396|0.124494|0.108067|0.500000| |3.357788|4.296895|3.956131|4.523996|6.527885|8.777770|5.948335|17.500455|8.822326|4.535709|6.559194|4.078319|3.101497|2.737847|5.048404|3.120837|2.805230|1.891998|12.179587|2.560475|1.714052|2.805072|1.739469|2.781791|1.525778|1.622476|1.532122|1.387068|1.322682|1.380932|1.201715|43.818460|0.084958|0.094083|0.082402|0.090124|0.106357|0.156737|0.500000| |3.842579|4.779324|3.994988|4.181675|5.564866|8.870637|7.328337|17.599224|6.603977|3.699079|5.749823|3.249273|2.640531|2.336715|4.227822|2.744807|2.491678|1.677315|10.912808|2.256621|1.517077|2.502456|1.532731|2.474489|1.359727|1.438847|1.368320|1.249343|1.194441|1.241621|1.093776|39.824314|0.099783|0.110449|0.089769|0.090829|0.096125|0.228477|0.303218|0.500000| |3.319016|4.256261|3.967309|4.596105|6.740990|8.814720|5.826421|17.544573|9.292742|5.034332|7.376115|4.384259|3.396713|2.920562|5.263486|3.329005|2.968617|1.955434|12.537283|2.608157|1.719986|2.811723|1.724161|2.741704|1.490772|1.574969|1.477520|1.339171|1.283867|1.347532|1.167393|42.113857|0.088060|0.090094|0.080152|0.090351|0.108445|0.151317|0.301529|0.302175|0.500000| |3.066541|4.033050|4.308125|5.836100|9.247328|7.327127|4.816947|7.502057|26.084968|9.489755|10.889419|7.739087|4.827089|3.888809|6.969992|4.180008|3.571408|2.355890|14.563275|3.227332|2.108314|3.367880|2.157781|3.358764|1.828998|1.967570|1.823666|1.618119|1.534896|1.619811|1.371584|50.130587|0.078584|0.080923|0.078288|0.099007|0.147761|0.113693|0.229382|0.146402|0.213905|0.500000| |2.286507|2.789269|3.111937|4.002668|4.670256|3.769635|3.002566|3.746143|9.538794|8.928725|11.175304|17.547622|8.843862|6.923461|12.170372|6.474470|5.128435|3.340864|19.317380|4.706189|2.946016|4.516361|3.032818|4.479705|2.383444|2.575516|2.288616|1.980308|1.883606|2.037364|1.643999|59.073021|0.059797|0.060110|0.060898|0.077970|0.118569|0.073954|0.111776|0.086032|0.110166|0.205597|0.500000| |2.304198|2.814873|3.036076|3.834219|4.762488|4.052871|3.140599|4.319531|9.875910|8.859009|10.807995|17.572570|8.847625|6.914352|12.493202|6.343175|5.156535|3.192297|19.017746|4.216616|2.603928|4.093755|2.565055|3.861355|2.033645|2.142215|1.923532|1.702850|1.642860|1.775013|1.458561|51.410318|0.061312|0.060788|0.060045|0.074801|0.107818|0.078373|0.124432|0.097888|0.139277|0.223523|0.305153|0.500000| |2.092343|2.482928|2.769346|3.409423|3.721858|3.112486|2.604341|3.053869|6.511011|6.906346|12.304149|8.848319|17.540241|8.966565|11.113927|9.481181|6.590122|3.729475|20.896514|4.925551|2.908352|4.481202|2.836952|4.190488|2.177228|2.283267|2.021141|1.780803|1.724796|1.881526|1.522849|53.163598|0.057002|0.054125|0.055499|0.071305|0.102506|0.064986|0.083043|0.073337|0.095458|0.123000|0.173367|0.211334|0.500000| |2.083134|2.470664|2.834768|3.538426|3.686543|2.983230|2.528233|2.831449|6.424999|6.974947|12.989175|8.838765|17.578379|8.913608|10.805779|9.890962|6.505252|3.956412|21.223887|5.737675|3.399308|5.038781|3.503866|5.007062|2.619877|2.828335|2.456296|2.104117|2.007845|2.200028|1.735967|61.743995|0.055896|0.053728|0.056284|0.074263|0.112122|0.062481|0.078937|0.067972|0.084394|0.119776|0.209815|0.173392|0.305833|0.500000| |1.663826|1.900848|2.093888|2.446966|2.556326|2.231576|1.955386|2.207637|4.148508|3.827117|6.956382|4.722187|7.493634|9.300971|10.945007|25.967912|13.003232|6.202786|29.924630|7.971370|4.170207|6.184076|3.790524|5.347003|2.638763|2.667209|2.271529|2.004648|1.987124|2.238716|1.737720|57.972929|0.045386|0.043530|0.044930|0.055640|0.073833|0.049912|0.061398|0.054954|0.066546|0.081720|0.118751|0.119238|0.209589|0.206898|0.500000| |1.464234|1.652460|1.763841|2.016399|2.165536|1.973918|1.735164|2.037955|3.482715|2.967931|5.046577|3.746066|4.745995|7.131836|12.371692|12.770242|25.993457|9.554617|51.146330|8.231874|4.280835|6.848884|3.453373|5.034978|2.417375|2.338869|2.004455|1.819578|1.851693|2.106982|1.650231|52.768109|0.039901|0.038985|0.039302|0.046489|0.058721|0.045243|0.057694|0.051521|0.061676|0.072118|0.099172|0.105616|0.128666|0.117067|0.205428|0.500000| |1.512162|1.709057|1.876761|2.164191|2.236025|1.970426|1.747948|1.950702|3.576446|3.114417|5.463214|3.818674|4.896137|6.435352|9.880253|12.024760|11.098510|9.562615|38.104886|26.012691|9.316175|10.825810|7.836584|8.992720|4.014135|3.901745|3.056541|2.635403|2.659482|3.168173|2.238915|71.870306|0.040695|0.039956|0.041346|0.050334|0.065368|0.044887|0.055793|0.048906|0.056993|0.072308|0.110306|0.095647|0.116848|0.146595|0.198052|0.160421|0.500000| |1.429496|1.593304|1.760460|1.992171|1.995121|1.762624|1.598385|1.711879|3.074997|2.596479|4.672627|2.938353|3.442629|3.823606|6.193620|6.039454|5.696582|4.852505|26.194353|10.045730|8.857995|10.818018|17.509773|16.570358|7.051869|6.731763|4.571512|3.745920|3.776752|4.772829|2.967636|94.195022|0.038341|0.037752|0.039646|0.048114|0.060753|0.041084|0.048947|0.043348|0.048964|0.061507|0.086664|0.073118|0.084820|0.108178|0.116375|0.095752|0.232823|0.500000| |1.446455|1.618902|1.773886|2.014677|2.052329|1.824465|1.642192|1.793938|3.199838|2.646461|4.587720|3.076153|3.419163|3.918214|6.799284|5.687564|5.483189|4.816001|26.990330|9.611583|8.941347|11.223880|17.513816|16.533666|7.111345|6.797268|4.610329|3.774535|3.803706|4.806699|2.984760|94.771642|0.038492|0.038490|0.040004|0.047998|0.060713|0.042331|0.052162|0.045309|0.051022|0.065410|0.094945|0.077327|0.081798|0.103241|0.103092|0.094810|0.205151|0.300607|0.500000| |1.487338|1.651378|1.837193|2.062559|2.026883|1.785923|1.636791|1.708316|3.061582|2.508352|4.499269|2.717419|2.940315|3.036489|5.092272|4.311395|3.969140|3.182626|18.791884|5.581930|4.654571|6.875617|7.382654|12.404553|8.849541|17.762313|8.953284|5.665071|4.908516|5.622915|3.535036|130.859242|0.039447|0.039326|0.041751|0.050713|0.063288|0.041948|0.049249|0.043316|0.047848|0.061145|0.082863|0.067077|0.072054|0.092715|0.083884|0.070850|0.125705|0.222782|0.224278|0.500000| |1.422825|1.550855|1.718562|1.876000|1.806487|1.614416|1.514140|1.528487|2.631046|2.082333|3.762973|2.154854|2.238873|2.235206|3.807483|3.100066|2.893913|2.262459|14.121223|3.665380|2.974771|4.784126|3.902410|7.449699|5.669881|8.924417|17.751438|8.972554|5.627613|4.982853|4.082082|222.909728|0.037616|0.037737|0.040493|0.048241|0.057141|0.039016|0.043952|0.039234|0.042176|0.052398|0.064917|0.054099|0.056484|0.069128|0.061612|0.053473|0.079685|0.112584|0.113404|0.216859|0.500000| |1.119466|1.213060|1.307239|1.422990|1.420574|1.302667|1.213658|1.278240|2.102817|1.670448|2.966218|1.812907|1.951429|2.110196|3.687947|3.094064|3.160312|2.689813|18.056176|4.365145|4.143580|7.737555|4.931968|13.645255|8.997030|5.671320|4.982525|5.667475|8.912975|17.739969|7.018536|129.359135|0.030034|0.030006|0.031281|0.036054|0.042202|0.031814|0.036732|0.033149|0.035989|0.042766|0.053449|0.047285|0.050168|0.057633|0.060415|0.058498|0.084987|0.120766|0.121400|0.124256|0.108070|0.500000| |1.051357|1.123796|1.204439|1.287332|1.270910|1.177397|1.114590|1.147489|1.838774|1.425841|2.533683|1.502052|1.561773|1.628763|2.865947|2.300221|2.292667|1.854835|12.558772|2.866736|2.447186|4.393905|2.830851|6.170275|4.297220|3.955428|4.579905|6.659351|8.865579|5.909870|17.569528|211.007518|0.028097|0.028323|0.029649|0.033515|0.037927|0.029364|0.033010|0.030020|0.031866|0.037379|0.044371|0.039341|0.040463|0.045950|0.045415|0.043468|0.057831|0.074306|0.077101|0.090196|0.107910|0.152591|0.500000| |1.026548|1.099753|1.178545|1.264499|1.253409|1.160154|1.094130|1.135001|1.824233|1.426908|2.541576|1.516379|1.601202|1.691540|2.965896|2.432407|2.459999|2.020552|13.812623|3.133972|2.744578|5.062989|3.118830|7.131252|4.782698|3.972267|4.177294|5.555354|8.887910|7.348387|17.601384|152.038646|0.027552|0.027608|0.028833|0.032715|0.037282|0.028827|0.032550|0.029671|0.031735|0.037061|0.044480|0.039802|0.041647|0.047049|0.048087|0.046461|0.062206|0.081139|0.081550|0.090421|0.096049|0.225561|0.300997|0.500000| 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