Version2.0 2020-04-23T06:12:39Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 18-Apr-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)N[C@@H]2CCCC[C@@H]2NC(=O)c3csc(n3)COc4cc(cc(c4)C)C C40427932 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)C)NC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c3csc(n3)COc4cc(cc(c4)C)C C01[X(C28H34N4O3S1)] 204 C1 612 O=C(Nc1ccc(cc1C)C)N[C@@H]1CCCC[C@@H]1NC(=O)c1csc(n1)COc1cc(C)cc(c1)C O=C(Nc1ccc(cc1C)C)N[C@@H]1CCCC[C@@H]1NC(=O)c1csc(n1)COc1cc(C)cc(c1)C Cc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c3csc(COc4cc(C)cc(C)c4)n3)c(C)c1 InChIKey=UXVFWIMYXLNBJP-BJKOFHAPSA-N InChI=1S/C28H34N4O3S/c1-17-9-10-22(20(4)12-17)31-28(34)32-24-8-6-5-7-23(24)30-27(33)25-16-36-26(29-25)15-35-21-13-18(2)11-19(3)14-21/h9-14,16,23-24H,5-8,15H2,1-4H3,(H,30,33)(H2,31,32,34)/t23-,24+/m0/s1 InChI=1/C28H34N4O3S/c1-17-9-10-22(20(4)12-17)31-28(34)32-24-8-6-5-7-23(24)30-27(33)25-16-36-26(29-25)15-35-21-13-18(2)11-19(3)14-21/h9-14,16,23-24H,5-8,15H2,1-4H3,(H,30,33)(H2,31,32,34)/t23-,24+/m0/s1/f/h30-32H Cc1ccc(c(c1)C)NC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c3csc(n3)COc4cc(cc(c4)C)C C01[X(C28H34N4O3S1)] 204 C01 612 O=C(Nc1ccc(cc1C)C)N[C@@H]1CCCC[C@@H]1NC(=O)c1csc(n1)COc1cc(C)cc(c1)C O=C(Nc1ccc(cc1C)C)N[C@@H]1CCCC[C@@H]1NC(=O)c1csc(n1)COc1cc(C)cc(c1)C Cc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c3csc(COc4cc(C)cc(C)c4)n3)c(C)c1 InChIKey=UXVFWIMYXLNBJP-BJKOFHAPSA-N InChI=1S/C28H34N4O3S/c1-17-9-10-22(20(4)12-17)31-28(34)32-24-8-6-5-7-23(24)30-27(33)25-16-36-26(29-25)15-35-21-13-18(2)11-19(3)14-21/h9-14,16,23-24H,5-8,15H2,1-4H3,(H,30,33)(H2,31,32,34)/t23-,24+/m0/s1 InChI=1/C28H34N4O3S/c1-17-9-10-22(20(4)12-17)31-28(34)32-24-8-6-5-7-23(24)30-27(33)25-16-36-26(29-25)15-35-21-13-18(2)11-19(3)14-21/h9-14,16,23-24H,5-8,15H2,1-4H3,(H,30,33)(H2,31,32,34)/t23-,24+/m0/s1/f/h30-32H 3743.9846575648 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|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|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| 4.3624 5.3720 11.3476 16.1865 21.2390 24.5098 27.0177 28.5984 51.9920 54.2098 59.6833 61.4097 64.3086 72.7535 77.9848 82.5712 108.5048 138.9864 161.6571 169.8914 179.0061 194.8039 200.4470 205.2658 223.9152 226.3498 239.4524 244.0591 248.6659 262.9183 283.9407 292.0366 296.3221 308.2962 313.7241 326.8722 333.2665 370.1136 386.7553 392.8707 402.2874 439.1045 472.7197 494.4974 498.0634 510.0147 527.5067 535.6134 548.9705 559.4089 570.6223 580.5872 582.2607 585.6343 600.5074 621.3939 629.4838 641.7243 648.9633 672.5871 691.5517 697.5157 749.5787 764.4082 767.0395 778.9584 794.2437 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1935.8947 1945.0740 3178.8471 3183.2558 3187.1086 3194.7159 3199.3331 3201.0093 3204.5245 3206.2231 3221.7439 3237.5360 3240.4212 3241.5336 3252.5909 3253.3371 3256.3528 3259.2745 3268.9158 3270.5788 3275.1797 3281.2351 3286.7738 3287.0966 3287.5046 3320.5901 3347.6759 3353.5454 3355.3831 3384.5933 3385.3430 3444.0316 3473.8554 3874.0375 3875.8178 3891.2231 5.9198 3.5820 3.0197 5.8831 1.1379 5.1941 4.8859 5.0290 1.0726 6.0648 1.6051 2.1793 4.3285 5.0378 4.9285 3.8923 3.4183 4.3893 5.7857 4.4106 2.7764 1.8159 2.8669 3.3709 2.2460 5.0963 2.9670 3.6703 3.1912 3.8626 1.5096 2.5767 4.1980 2.1403 4.5334 3.5453 3.6250 3.5668 4.3824 4.2092 4.1422 2.7337 3.4305 1.8310 2.8703 1.9002 4.1688 2.9892 5.0357 4.2790 4.4547 4.8980 3.1595 3.9746 3.7919 3.2681 4.0361 2.9286 3.9255 1.6490 3.4163 3.2452 5.0173 9.4937 2.1923 5.1980 3.8097 4.9132 8.1982 3.5424 4.5104 2.2753 2.4891 2.2482 2.1144 2.2164 1.4727 1.6389 2.4667 1.2947 2.2925 1.4159 1.3035 2.3088 2.6301 3.8582 3.3951 2.8113 4.0382 2.1291 1.4065 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6.4245 6.3980 6.2688 6.4402 6.2811 6.2855 6.4612 6.7469 6.8110 6.7571 6.8571 6.8538 6.8872 6.8995 6.9810 6.8578 6.9731 6.9187 7.0156 7.0140 7.0054 7.0654 7.2055 7.2334 7.2406 7.3743 7.3685 7.6440 7.7991 9.5285 9.5412 9.6114 0.0509 0.4506 0.0694 0.1012 0.2569 0.3539 0.3408 0.2006 0.7118 3.5886 2.5163 4.9053 1.8499 3.8627 6.0959 3.5279 3.6175 1.7731 1.0355 0.0328 1.9041 0.4225 0.2651 0.5036 1.9338 2.9104 11.7193 3.7863 1.6945 4.9706 7.6549 20.8663 6.2444 3.8873 9.3718 7.7117 7.2825 1.9164 1.2628 9.2018 3.5339 5.8473 27.8595 64.9323 2.1995 67.2864 5.1798 4.9155 0.9371 4.7976 1.1807 1.8925 0.1314 1.5523 3.4761 1.7730 11.4115 35.5769 2.5525 139.7027 4.9346 2.5623 26.1340 5.2872 4.5858 0.2482 1.0671 13.3679 23.5830 35.9954 29.7541 14.2061 6.2330 4.1421 12.4470 26.9685 54.6060 1.3752 7.8086 8.2567 7.8955 5.8774 2.5735 3.8252 3.8949 4.1601 21.2920 7.9334 0.7013 0.7436 0.3619 11.0296 2.5069 1.7985 0.1556 2.8765 5.9769 3.8628 6.4691 0.6408 0.3605 7.1378 0.0100 5.8461 8.3139 28.6602 20.4261 21.6481 3.4386 3.0844 11.8966 28.3015 4.9403 1.2504 12.3735 171.9321 64.1313 144.0905 301.3918 2.0944 97.9054 17.5995 61.8612 85.0456 34.2925 25.6356 43.4560 30.4042 19.2538 260.4894 38.9619 23.0768 3.6706 46.0116 4.6559 27.3902 161.0431 2.7248 11.0099 1.5865 7.2365 3.3940 19.7473 31.3245 1.3120 8.1414 3.0535 1.6915 6.9860 16.9084 18.2437 3.9771 25.4231 11.3077 8.0654 91.8666 52.0875 2.8785 113.6084 255.9842 16.6982 949.8901 511.1640 81.4043 91.7938 209.3040 83.7135 2.7178 269.7534 347.7435 23.9616 46.4584 24.8576 40.6766 50.7318 30.1088 38.4255 32.2320 12.3456 76.3948 71.7846 32.3341 54.9609 34.5020 26.3283 28.6074 22.7792 16.7198 25.5423 31.8108 17.3926 30.5372 24.2464 7.9275 30.2207 22.9351 23.8344 6.4529 14.4645 0.6483 8.6442 52.7207 15.9499 47.1752 2.3976 5.8845 3.9962 1.4685 0.8795 1.4588 1.8052 0.5551 0.2003 1.3406 0.5539 0.9021 0.3296 1.3344 0.3001 0.9731 0.2476 0.4289 0.9571 0.6718 0.2888 0.4360 0.2890 1.2864 2.0256 1.4966 1.4394 1.2454 2.2978 4.6786 2.3105 0.6697 0.2990 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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 15109.5889 49852.1972 56478.6382 0.99999 0.00149 0.00387 -0.00140 0.99974 -0.02276 -0.00391 0.02275 0.99973 1 0.00573 0.00174 0.00153 0.11944 0.03620 0.03195 6.28 7.73 16.33 23.29 30.56 35.26 38.87 41.15 74.80 78.00 85.87 88.35 92.53 104.68 112.20 118.80 156.11 199.97 232.59 244.44 257.55 280.28 288.40 295.33 322.16 325.67 344.52 351.15 357.77 378.28 408.53 420.18 426.34 443.57 451.38 470.30 479.50 532.51 556.45 565.25 578.80 631.77 680.14 711.47 716.60 733.80 758.96 770.63 789.85 804.86 821.00 835.34 837.74 842.60 864.00 894.05 905.69 923.30 933.71 967.70 994.99 1003.57 1078.48 1099.81 1103.60 1120.75 1142.74 1170.69 1226.35 1229.54 1242.33 1263.53 1286.71 1308.41 1338.77 1354.16 1359.45 1363.28 1365.10 1383.75 1400.55 1428.33 1430.53 1448.90 1461.42 1481.88 1499.49 1510.90 1539.72 1540.17 1571.81 1575.42 1577.80 1587.25 1606.76 1614.35 1632.29 1640.05 1648.16 1680.67 1682.99 1684.55 1685.18 1686.16 1691.94 1762.12 1765.70 1775.00 1799.45 1811.28 1824.75 1832.72 1846.44 1855.94 1880.02 1882.91 1925.07 1927.05 1938.33 1953.87 1977.77 1981.79 1990.42 2013.72 2019.10 2072.91 2081.61 2093.66 2102.98 2119.31 2126.07 2154.27 2165.52 2177.84 2196.10 2213.94 2218.44 2235.29 2249.08 2251.39 2253.67 2258.17 2268.17 2302.07 2330.99 2346.32 2347.35 2347.67 2351.42 2352.87 2353.86 2358.66 2361.94 2367.71 2375.17 2378.89 2384.86 2393.72 2403.51 2435.36 2446.73 2469.52 2501.95 2541.71 2575.23 2591.95 2612.52 2624.42 2785.32 2798.53 4573.65 4580.00 4585.54 4596.48 4603.13 4605.54 4610.60 4613.04 4635.37 4658.09 4662.24 4663.84 4679.75 4680.83 4685.17 4689.37 4703.24 4705.63 4712.25 4720.97 4728.93 4729.40 4729.99 4777.59 4816.56 4825.00 4827.65 4869.67 4870.75 4955.19 4998.10 5573.88 5576.44 5598.60 0.626194 0.660639 0.661583 0.549016 -1919.451299 -1919.416854 -1919.415910 -1919.528477 3.775516D-04 MUNgauss RevisionA2.0 retrievium 23-Apr-2020 DUDE Cc1ccc(c(c1)C)NC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c3csc(n3)COc4cc(cc(c4)C)C C40427932 RHF 6-31G(d) (6D,10F) C1 506.235163 |X|Y|Z| 157.812601 78.860396 50.298156 85.542952 30 6 7 8 16 24 4 1 1 |36.858105| |12.606573|36.858105| |7.543465|13.727805|36.858105| |5.009621|7.888598|13.782328|36.858105| |4.416584|6.797831|7.931347|13.718515|36.858105| |4.990699|7.830262|6.862090|7.910747|13.650115|36.858105| |7.542523|13.738656|8.026640|6.927156|7.955463|13.716195|36.858105| |3.783608|5.003321|4.442857|5.006976|7.514370|12.599987|7.578793|36.858105| |3.326020|4.517888|5.135514|7.770063|13.463921|7.897216|5.178435|6.679748|53.358707| |2.858275|3.678677|4.327521|6.266100|7.646303|5.196506|3.929042|4.632636|18.922947|36.858105| |2.887871|3.665671|4.528404|6.520748|6.581300|4.549071|3.694955|3.876163|11.406743|15.828037|73.516695| |2.402988|2.965430|3.331397|4.377737|5.223373|4.099727|3.205443|4.032742|11.346652|13.985694|15.043319|53.358707| |2.091900|2.497520|2.804004|3.509440|3.866186|3.174778|2.625646|3.118252|7.107207|7.766228|12.196115|17.898412|36.858105| |2.111924|2.512076|2.889666|3.627381|3.788311|3.046582|2.572390|2.885441|6.643565|7.359358|13.526888|12.695657|17.606810|0.500000| |1.995761|2.348723|2.591941|3.142448|3.441215|2.936807|2.472393|2.925888|5.924898|5.933656|10.242853|10.410231|12.416789|0.248254|36.858105| |1.748110|2.007550|2.206127|2.588258|2.733252|2.386785|2.077367|2.368580|4.446890|4.156866|7.564672|6.765883|7.529821|0.192096|12.434092|36.858105| |1.596100|1.818151|1.976472|2.294795|2.438011|2.163577|1.890803|2.183248|3.966292|3.555271|6.188180|6.014398|6.438156|0.160249|7.517832|12.439261|36.858105| |1.645782|1.886981|2.068234|2.429982|2.580757|2.257728|1.959733|2.264458|4.278807|3.864623|6.561865|6.838977|7.562278|0.193119|6.454062|7.535548|12.434334|36.858105| |1.846703|2.160770|2.374789|2.869068|3.148349|2.703955|2.279519|2.733977|5.537589|5.153766|8.072427|10.638308|12.403823|0.249114|7.482910|6.398660|7.463523|12.408712|36.858105| |1.866175|2.184641|2.413805|2.921046|3.174876|2.709470|2.292231|2.710849|5.553399|5.007590|7.790961|9.762689|8.899954|0.219931|5.500206|4.847507|5.483913|8.857655|17.657457|0.500000| |1.792705|2.089706|2.236717|2.660837|3.016591|2.693814|2.255502|2.851025|5.290292|4.523531|6.801729|9.095095|7.724632|0.156999|6.196988|5.184188|6.149228|7.682419|13.056648|0.259889|53.358707| |1.709712|1.975706|2.087767|2.443597|2.768766|2.532542|2.141779|2.721747|4.723600|3.776487|5.698737|6.951507|5.239705|0.119115|4.318101|3.821402|4.513384|5.622932|7.723595|0.210794|19.198470|36.858105| |1.692543|1.949264|2.070127|2.414654|2.693551|2.450922|2.093223|2.588355|4.525114|3.569318|5.449308|6.303190|4.658542|0.112972|3.699969|3.352255|3.908372|5.110115|6.709120|0.220687|11.460295|15.846866|73.516695| |1.613002|1.843446|1.908303|2.188166|2.494691|2.364874|2.020323|2.619907|4.121299|3.159846|4.832535|5.444202|3.977208|0.092559|3.622372|3.261304|3.766635|4.184055|5.041830|0.132770|10.830379|12.748733|14.421580|36.858105| |1.522212|1.720748|1.763571|1.990244|2.250391|2.171822|1.884545|2.414901|3.610662|2.691133|4.172085|4.417556|3.166452|0.076728|2.894144|2.660139|3.021925|3.343912|3.850790|0.106614|7.104325|7.625342|11.888514|14.192683|36.858105| |1.426018|1.593462|1.610413|1.788073|2.017115|1.991678|1.752008|2.245010|3.153351|2.320538|3.655135|3.678561|2.638500|0.064602|2.536272|2.358734|2.621610|2.740652|3.030651|0.081661|5.321785|4.797514|7.475776|7.571404|11.080220|388.023441| |1.497311|1.685846|1.711050|1.917426|2.180890|2.138441|1.859610|2.420645|3.462813|2.596556|4.075422|4.198116|3.058902|0.072857|3.059405|2.814467|3.123108|3.130608|3.475089|0.089045|6.426991|5.300246|7.462120|8.697804|7.887571|78.109675|36.858105| |1.593897|1.815795|1.866418|2.127216|2.433451|2.334781|1.999181|2.617548|3.979290|3.058512|4.729435|5.175722|3.830001|0.088205|3.781104|3.402930|3.852666|3.917303|4.521160|0.112125|9.359030|7.607264|9.441179|13.815325|8.282456|53.196046|14.942726|53.358707| |1.435610|1.601947|1.613469|1.786752|2.019573|2.005237|1.765516|2.271966|3.138605|2.346781|3.750892|3.679938|2.697549|0.065137|2.818869|2.630969|2.840421|2.722523|2.928342|0.074356|5.073278|3.861268|5.679560|5.247107|4.886653|47.638000|12.672854|10.634459|36.858105| |1.350041|1.491286|1.489395|1.629105|1.829437|1.839828|1.642067|2.087069|2.789293|2.052896|3.304695|3.148132|2.281714|0.056221|2.346462|2.208408|2.366903|2.304843|2.460911|0.064038|4.109280|3.210150|4.950538|4.229902|4.353816|47.101752|8.132141|7.305197|13.679060|73.516695| |1.279992|1.401272|1.392644|1.508164|1.680110|1.701217|1.537151|1.918928|2.520983|1.852274|3.020371|2.787376|2.026712|0.050545|2.114107|2.010688|2.122584|2.037549|2.143380|0.055816|3.463343|2.638547|4.147142|3.272932|3.323577|32.249836|5.240344|5.434600|7.993468|24.951738|36.858105| |1.205621|1.309398|1.295427|1.391195|1.540120|1.568741|1.432243|1.762875|2.284050|1.664925|2.727247|2.476849|1.791556|0.045215|1.844473|1.761315|1.855802|1.804566|1.893048|0.050016|3.003626|2.317545|3.735302|2.817958|2.962401|28.467960|4.100858|4.416310|5.262535|14.576824|13.661707|36.858105| |1.139626|1.228218|1.211624|1.291240|1.419030|1.450129|1.337286|1.617723|2.081057|1.516661|2.507789|2.229085|1.616427|0.041153|1.675225|1.610825|1.680957|1.623694|1.688560|0.044663|2.626905|1.998722|3.253214|2.355262|2.441728|22.084051|3.206981|3.635957|3.984659|9.412703|7.931537|13.836812|36.858105| |1.136758|1.223401|1.207633|1.285256|1.408714|1.438060|1.328949|1.597291|2.060256|1.509285|2.511244|2.208610|1.610928|0.041049|1.695247|1.637787|1.693891|1.611826|1.665076|0.043694|2.570319|1.918227|3.104525|2.225308|2.246630|19.628371|2.990290|3.481523|3.801169|8.237187|6.909499|7.960962|13.611049|36.858105| |1.197279|1.295887|1.283724|1.373985|1.511304|1.535964|1.409804|1.708128|2.225540|1.641864|2.730061|2.415803|1.772016|0.044835|1.893353|1.828651|1.885434|1.767972|1.824257|0.047320|2.834702|2.084301|3.323215|2.424117|2.387498|20.697621|3.344354|3.907543|4.504673|9.219966|7.935559|6.851832|7.876152|13.825979|36.858105| |1.275576|1.393701|1.386130|1.498101|1.662418|1.681225|1.524051|1.884418|2.483202|1.837837|3.024478|2.746033|2.014403|0.050321|2.152136|2.061213|2.146372|2.012905|2.094808|0.053945|3.334718|2.460897|3.852203|2.948430|2.877322|25.783385|4.423525|4.951227|6.729931|14.014429|13.826553|7.908555|6.831156|7.942379|13.608542|36.858105| |1.178889|1.271159|1.260471|1.344142|1.468885|1.490181|1.375542|1.641364|2.148896|1.594483|2.679174|2.324960|1.717309|0.043697|1.864279|1.815915|1.846477|1.705551|1.743302|0.044997|2.662758|1.920276|3.068640|2.174677|2.102821|17.467052|2.850122|3.480266|3.677043|6.871104|5.041294|4.439414|4.998690|7.564047|12.608440|7.582045|36.858105| |1.070439|1.145808|1.127334|1.193606|1.303915|1.336303|1.242841|1.482479|1.896109|1.375725|2.283502|2.006302|1.450900|0.037257|1.489518|1.435991|1.496735|1.459275|1.514778|0.040458|2.326940|1.781603|2.947730|2.066754|2.173269|19.205642|2.667555|3.094501|3.111403|7.004016|5.019434|7.578373|12.612262|7.559337|5.019535|4.431214|3.782362|36.858105| |17.527123|8.834899|6.370147|4.481030|3.967288|4.389572|6.141450|3.449386|4.184291|2.712817|4.955223|3.117606|2.022894|0.056775|1.964176|1.730348|1.568401|1.599463|1.777759|0.049459|2.346843|1.633157|2.855492|1.546521|1.454980|9.756332|1.450334|2.098013|1.402046|2.341964|1.255863|1.181510|1.121536|1.124527|1.186898|1.259599|1.176038|1.052495|0.500000| |17.567988|8.831181|5.605466|4.182331|3.953320|4.709222|7.147482|3.790355|4.181285|2.619622|4.609153|3.063510|1.959549|0.054423|1.872276|1.644873|1.515910|1.562868|1.753390|0.049253|2.345737|1.659523|2.921531|1.581661|1.504476|10.091489|1.480782|2.128769|1.423023|2.395355|1.280282|1.211526|1.146849|1.141314|1.197133|1.272314|1.175655|1.080772|0.302053|0.500000| |17.559446|8.834999|6.991788|4.674619|3.950744|4.197442|5.686981|3.261964|4.172752|2.690955|4.887312|3.101518|2.005671|0.056865|1.897532|1.679858|1.541683|1.599515|1.783563|0.050448|2.336897|1.643778|2.917982|1.542442|1.460776|9.688120|1.421396|2.060393|1.357838|2.274333|1.212119|1.144910|1.082752|1.078093|1.132583|1.205328|1.114374|1.020164|0.302251|0.301770|0.500000| |6.983051|8.911521|17.696995|8.975500|5.654048|4.944894|5.677148|3.551328|5.672352|3.758325|7.259522|4.050414|2.591952|0.075543|2.408284|2.095497|1.879881|1.965251|2.215406|0.062732|2.809530|1.929273|3.421346|1.760862|1.633522|10.622443|1.581088|2.341058|1.494901|2.460829|1.299198|1.212400|1.138231|1.135913|1.205021|1.295335|1.186969|1.062518|0.172972|0.141656|0.206684|0.500000| |4.090784|5.633032|8.933992|17.804955|8.943182|5.643503|4.986948|4.085505|9.678680|6.828166|14.310238|6.353222|3.845326|0.115291|3.365605|2.790094|2.452708|2.624025|3.083557|0.087816|3.760324|2.506795|4.433732|2.202649|1.990192|12.589452|1.901290|2.895726|1.763377|2.845205|1.478686|1.361629|1.263008|1.257980|1.346763|1.470077|1.319355|1.166865|0.104919|0.096391|0.110858|0.216772|0.500000| |7.011595|8.945472|5.683949|4.977973|5.661246|8.967861|17.690569|7.099806|5.719216|3.307738|5.512728|3.832034|2.349180|0.063440|2.240786|1.906389|1.751569|1.804589|2.079261|0.057919|2.842762|2.005058|3.477248|1.924305|1.814233|12.165477|1.805504|2.607131|1.728651|2.886403|1.529301|1.433276|1.343534|1.334365|1.409248|1.515392|1.374160|1.253244|0.163352|0.217421|0.145166|0.124504|0.108064|0.500000| |3.359973|4.301235|3.957819|4.520566|6.519919|8.777012|5.957424|17.496354|8.821840|4.512273|6.533506|5.609488|3.150032|0.080423|2.868495|2.335777|2.199305|2.323732|2.845029|0.079715|4.101894|2.956102|5.056112|2.847523|2.654281|17.293112|2.571097|3.784786|2.361770|3.874044|1.978032|1.823719|1.658777|1.620235|1.723084|1.913342|1.636196|1.523442|0.084061|0.094347|0.083156|0.090148|0.106288|0.157181|0.500000| |3.839403|4.780617|3.997313|4.183055|5.567672|8.868252|7.325517|17.592796|6.622575|3.688628|5.731342|4.484263|2.664737|0.069079|2.552509|2.118340|1.964678|2.018330|2.381225|0.065495|3.395404|2.408974|4.084236|2.366661|2.218772|15.001780|2.254433|3.248172|2.152262|3.570879|1.870176|1.733929|1.603776|1.585130|1.684964|1.840179|1.622221|1.477890|0.097895|0.111484|0.090383|0.090866|0.096182|0.228361|0.303104|0.500000| |3.314794|4.255482|3.972161|4.605361|6.768927|8.822607|5.818409|17.546803|9.378326|5.022576|7.336563|6.084455|3.432205|0.086060|3.310720|2.617354|2.384601|2.434408|2.958124|0.079534|4.265785|2.924601|4.815163|2.836354|2.559774|17.030277|2.659954|3.952466|2.516209|4.040172|2.084356|1.887615|1.725815|1.714958|1.855382|2.064068|1.787611|1.563952|0.086887|0.090710|0.080297|0.090438|0.108726|0.150963|0.301683|0.301853|0.500000| |3.069519|4.038590|4.322800|5.861845|9.272569|7.304047|4.813595|7.426388|26.104075|9.408736|10.844080|10.830793|4.957694|0.123622|4.094843|3.112503|2.870469|3.132888|4.138347|0.116728|5.676860|3.845925|6.539257|3.381443|2.969167|18.231620|2.793671|4.378763|2.488924|3.933899|1.977218|1.790366|1.617600|1.589278|1.712851|1.925560|1.636296|1.471765|0.078295|0.080970|0.078709|0.099349|0.148644|0.113547|0.227494|0.145352|0.210960|0.500000| |2.334708|2.864425|3.111409|3.968756|4.941680|4.130003|3.186393|4.346261|10.600003|9.313237|10.852541|26.072958|9.104183|0.182362|6.423355|4.411537|4.148000|4.684221|7.342352|0.188851|10.477287|6.050116|9.325097|4.762222|3.770164|21.950254|3.555351|6.095660|3.039096|4.578451|2.244109|1.982207|1.764880|1.737262|1.901787|2.186975|1.809499|1.580727|0.061544|0.061668|0.061126|0.076574|0.112322|0.079101|0.127874|0.097846|0.136263|0.246011|0.500000| |1.954704|2.293908|2.472464|2.958091|3.340327|2.948960|2.464930|3.053547|5.753526|5.323079|8.602675|9.470167|8.812796|0.174331|17.481107|8.811147|6.724628|5.638949|6.712085|0.138531|9.225668|4.646724|6.737696|4.082574|3.177967|20.109552|3.564657|6.134485|3.306970|4.755918|2.389831|2.049151|1.846407|1.873488|2.117974|2.445685|2.077641|1.622398|0.053441|0.051460|0.051219|0.063186|0.085327|0.062838|0.083328|0.074254|0.098388|0.114825|0.185429|0.500000| |2.154351|2.552643|2.847186|3.474160|3.754275|3.158188|2.664858|3.066982|6.301659|6.441987|12.196325|9.536323|8.894869|0.217211|17.585002|8.800887|5.483799|4.853430|5.491846|0.124206|6.421131|3.565847|5.606208|3.089421|2.548916|16.209514|2.706653|4.397969|2.549457|3.840181|1.975631|1.736949|1.592931|1.620387|1.805277|2.026216|1.795083|1.422886|0.059408|0.055584|0.056595|0.073406|0.103844|0.066453|0.081329|0.074244|0.096921|0.115427|0.158648|0.303552|0.500000| |1.679949|1.910416|2.075732|2.392590|2.522646|2.247403|1.978172|2.245255|3.999008|3.598824|6.589532|5.590450|5.488469|0.141155|8.820326|17.540759|8.806283|5.488319|4.808020|0.106652|5.846761|3.318005|5.168453|2.974495|2.463643|16.011111|2.715350|4.362436|2.621333|3.911837|2.032428|1.772741|1.633411|1.679357|1.890955|2.119629|1.904737|1.450267|0.046573|0.044026|0.044691|0.054903|0.070674|0.050854|0.060895|0.056480|0.069296|0.077895|0.104588|0.214354|0.210783|0.500000| |1.757200|2.011014|2.241766|2.625420|2.694561|2.323651|2.045968|2.254414|4.301151|4.059924|7.806340|6.262916|6.792820|0.204386|8.863626|17.505130|8.855853|6.778599|5.629771|0.127497|5.908952|3.366217|5.470960|2.854840|2.390850|15.054017|2.452954|3.950318|2.294581|3.497525|1.805114|1.602331|1.475572|1.497705|1.656206|1.844088|1.648932|1.327892|0.048392|0.045616|0.047257|0.059912|0.080242|0.051868|0.061583|0.056127|0.068134|0.082106|0.110014|0.173531|0.215615|0.303720|0.500000| |1.556926|1.769676|1.897225|2.188397|2.363456|2.135907|1.862025|2.200744|3.844534|3.344260|5.662175|5.694673|5.612568|0.132230|6.726270|8.834314|17.496042|8.817212|6.675790|0.137819|9.100928|4.895156|7.147541|4.296868|3.355163|20.990620|3.668306|6.300093|3.341599|4.810236|2.401915|2.064877|1.854092|1.871339|2.106161|2.436343|2.051936|1.631882|0.042502|0.041354|0.041566|0.049800|0.063875|0.048309|0.061784|0.055270|0.067375|0.078734|0.114658|0.196131|0.138385|0.214897|0.173705|0.500000| |1.481368|1.668159|1.809717|2.069832|2.165297|1.938376|1.720066|1.945508|3.434289|3.011399|5.353197|4.861386|4.841158|0.129210|5.482733|8.808682|17.541943|8.839358|5.468080|0.123557|6.364872|3.750303|5.995651|3.241385|2.698661|16.966600|2.782016|4.500744|2.577125|3.889099|1.987895|1.753397|1.601692|1.618921|1.794427|2.018878|1.769277|1.433865|0.040573|0.039117|0.039936|0.048283|0.061500|0.044480|0.054331|0.049163|0.058457|0.068841|0.093494|0.138325|0.123089|0.210822|0.215321|0.304495|0.500000| |1.533199|1.742355|1.889888|2.189405|2.327003|2.071913|1.813414|2.099803|3.797243|3.287039|5.524160|5.664107|5.513117|0.142001|4.838103|5.482569|8.777857|17.555351|8.862433|0.212768|9.685373|5.958889|9.932199|4.457025|3.613730|20.688673|3.250578|5.490724|2.778254|4.210564|2.078609|1.848526|1.655338|1.631463|1.779810|2.030893|1.702258|1.490953|0.041306|0.040713|0.041499|0.049994|0.064974|0.046788|0.060441|0.052467|0.062211|0.078638|0.112825|0.126187|0.106806|0.122931|0.139145|0.213570|0.211193|0.500000| |1.650654|1.886983|2.094253|2.457673|2.546103|2.202001|1.930843|2.162945|4.150224|3.784657|6.693940|6.343922|6.851282|0.206886|5.686762|6.800282|8.861728|17.511348|8.900777|0.219120|7.646814|4.494746|7.771427|3.452249|2.881359|17.038351|2.665815|4.383959|2.358224|3.623907|1.825701|1.636491|1.486060|1.476960|1.608794|1.807883|1.561401|1.347237|0.044577|0.043293|0.044889|0.055894|0.075074|0.049142|0.061366|0.053656|0.063804|0.082775|0.115976|0.131100|0.127696|0.139461|0.199994|0.173574|0.215658|0.303237|0.500000| |1.752854|2.033235|2.155953|2.538880|2.888001|2.623061|2.205112|2.813919|4.975768|4.208174|6.440299|8.037218|6.830009|0.139603|6.623927|5.544026|6.496974|6.730906|8.939123|0.179974|26.044580|9.535353|10.909731|7.756400|5.016701|28.793848|5.357097|11.293062|4.312256|5.936948|2.803108|2.377211|2.071479|2.044993|2.291714|2.735679|2.157581|1.809848|0.047179|0.046905|0.046365|0.055229|0.072505|0.057125|0.081302|0.069029|0.087667|0.107926|0.187829|0.228956|0.137677|0.132685|0.122182|0.221015|0.135081|0.171904|0.137869|0.500000| |1.500517|1.690784|1.735876|1.952025|2.187673|2.106844|1.840996|2.315939|3.478429|2.575395|4.012833|4.166481|2.969314|0.073535|2.654268|2.457617|2.782340|3.158128|3.616425|0.104468|6.254784|6.720130|12.459839|8.814762|17.819572|54.820841|5.489035|7.801174|3.859007|6.392752|2.867165|2.638340|2.215986|2.033938|2.129734|2.504074|1.891590|2.015186|0.039657|0.041245|0.040231|0.044830|0.054361|0.049209|0.071318|0.059212|0.066953|0.079417|0.097209|0.078909|0.065583|0.062858|0.062498|0.083476|0.069893|0.095710|0.077344|0.117507|0.500000| |1.523734|1.707270|1.711200|1.897319|2.166367|2.168190|1.897657|2.490743|3.367311|2.500322|3.977968|3.889651|2.805365|0.067258|2.986664|2.720176|2.843785|2.692447|2.945128|0.074143|5.059614|3.703967|5.433384|4.777304|4.287363|37.906296|8.990608|9.559753|17.570460|16.491859|7.013114|4.752869|3.781908|3.743001|4.564794|6.731606|3.848415|2.962464|0.041441|0.041965|0.039773|0.043791|0.051660|0.051710|0.071191|0.065624|0.078032|0.074181|0.089717|0.099371|0.075939|0.075913|0.065576|0.092315|0.070942|0.074527|0.065075|0.121263|0.096399|0.500000| |1.371468|1.524931|1.545845|1.710133|1.910219|1.878033|1.663667|2.089950|2.960451|2.252491|3.651584|3.533255|2.666795|0.064747|2.845437|2.738761|3.004686|2.802251|2.912297|0.073069|4.954087|3.667614|5.410931|4.747518|4.316072|38.711302|8.983809|9.340162|17.560803|16.516401|7.068631|4.785099|3.805918|3.766497|4.594213|6.781109|3.866124|2.977987|0.037361|0.037605|0.036147|0.040029|0.047244|0.045077|0.059766|0.054942|0.064153|0.064261|0.079453|0.092459|0.071027|0.076871|0.065926|0.100248|0.076679|0.079947|0.067128|0.118722|0.097115|0.300593|0.500000| |1.200952|1.304441|1.290271|1.385792|1.534564|1.563483|1.427304|1.758245|2.277300|1.652665|2.697369|2.462726|1.772587|0.044820|1.798385|1.713117|1.815668|1.791709|1.889059|0.050393|3.003592|2.363374|3.850221|2.899159|3.154795|31.334689|4.137535|4.414023|4.894903|13.548497|8.955562|17.731263|8.889908|5.635359|4.942611|5.656789|3.550857|6.950252|0.032558|0.033583|0.031752|0.033541|0.037673|0.039687|0.051011|0.047997|0.051876|0.049860|0.054940|0.055147|0.046929|0.047460|0.043472|0.055808|0.047613|0.051299|0.045207|0.065180|0.078821|0.120079|0.120734|0.500000| |1.085182|1.161209|1.144394|1.211310|1.320153|1.349766|1.256401|1.490089|1.916305|1.402972|2.348472|2.037139|1.487092|0.038147|1.565690|1.519221|1.562890|1.486431|1.528618|0.040234|2.330785|1.732425|2.826559|1.977522|1.994063|17.005396|2.559405|3.047946|3.138708|6.528557|4.969392|5.661693|8.891548|17.697936|8.956869|5.644205|7.009412|7.042369|0.029893|0.030296|0.028620|0.029992|0.032931|0.035125|0.041816|0.041264|0.044235|0.040865|0.044220|0.047692|0.041829|0.043382|0.038838|0.047581|0.041726|0.041713|0.038094|0.051211|0.050719|0.086676|0.087150|0.123918|0.500000| |1.328451|1.459123|1.457865|1.584856|1.762706|1.771195|1.595487|1.981401|2.652535|1.982017|3.262586|2.980061|2.204115|0.054631|2.400115|2.298035|2.382417|2.194172|2.279100|0.057881|3.647308|2.632684|4.056622|3.134037|2.953200|25.579499|4.709039|5.444519|7.461309|12.516111|8.891906|5.620450|4.932211|5.660665|8.908026|17.741651|7.087171|3.545736|0.036516|0.036641|0.034808|0.037793|0.043304|0.043831|0.055526|0.053351|0.060970|0.056902|0.065867|0.076943|0.062530|0.066283|0.056439|0.076141|0.061877|0.061017|0.054333|0.084859|0.070668|0.225056|0.225744|0.124214|0.124399|0.500000| |1.243338|1.342607|1.327319|1.414958|1.552043|1.581486|1.458388|1.749558|2.265589|1.676399|2.815980|2.431575|1.785500|0.045319|1.954484|1.884367|1.888590|1.737238|1.789320|0.046018|2.728901|1.947791|3.100598|2.190511|2.093839|17.155240|2.842530|3.523476|3.648460|6.587698|4.622469|3.980610|4.288680|5.889048|8.844600|6.756054|17.543857|3.341387|0.034544|0.034442|0.032511|0.034623|0.038442|0.040536|0.048090|0.048166|0.053318|0.047829|0.052574|0.060864|0.052671|0.055142|0.047429|0.058178|0.049945|0.047718|0.044198|0.061679|0.052237|0.110943|0.104490|0.090673|0.152348|0.193429|0.500000| |1.158291|1.250580|1.247920|1.334729|1.452295|1.460535|1.346232|1.595304|2.133265|1.599059|2.699255|2.342573|1.752702|0.044637|1.918772|1.895892|1.938782|1.770035|1.786284|0.045861|2.718732|1.946621|3.102397|2.191895|2.100216|17.243233|2.846766|3.519832|3.652321|6.584694|4.621206|3.980557|4.289641|5.891821|8.844763|6.751621|17.543615|3.342394|0.032126|0.031956|0.030488|0.032732|0.036591|0.037157|0.044144|0.043510|0.048297|0.044928|0.050378|0.059348|0.051092|0.055672|0.047688|0.060188|0.051962|0.049165|0.044931|0.061504|0.052420|0.104254|0.111567|0.090671|0.152462|0.193129|0.302203|0.500000| |1.119993|1.200005|1.186954|1.257962|1.367229|1.391004|1.294015|1.524879|1.984216|1.467532|2.477247|2.123582|1.565672|0.040141|1.689045|1.650452|1.674253|1.555678|1.586125|0.041213|2.397398|1.735591|2.803285|1.946223|1.899285|15.641815|2.479880|3.052259|3.081415|5.840158|4.182699|3.969726|4.735578|7.256591|8.838738|5.574523|17.587796|3.811156|0.031079|0.031090|0.029456|0.031143|0.034278|0.036029|0.042187|0.042095|0.045785|0.041867|0.045698|0.051723|0.045427|0.047994|0.042001|0.051149|0.044822|0.043172|0.039860|0.053393|0.048004|0.088554|0.088931|0.090304|0.223118|0.141463|0.301699|0.301701|0.500000| |1.070199|1.141269|1.117473|1.177661|1.286012|1.326172|1.239435|1.473631|1.857490|1.340662|2.228775|1.940386|1.395599|0.035924|1.433841|1.376456|1.422000|1.386297|1.444223|0.038626|2.205006|1.679123|2.785934|1.927415|2.013768|17.446236|2.440662|2.874466|2.821353|6.156526|4.305946|5.899067|8.853544|6.737330|4.608729|3.976267|3.646421|17.546827|0.029269|0.030102|0.028288|0.029249|0.031871|0.034881|0.041920|0.041094|0.043095|0.039993|0.042391|0.043299|0.038293|0.038661|0.035464|0.042840|0.037808|0.039124|0.035696|0.047541|0.052121|0.076540|0.074541|0.151407|0.192135|0.090570|0.091681|0.087766|0.104760|0.500000| |1.014709|1.083350|1.069078|1.130452|1.227840|1.252699|1.168624|1.378223|1.782932|1.300462|2.170097|1.894809|1.380171|0.035591|1.419958|1.381297|1.443469|1.403210|1.443076|0.038545|2.200385|1.678986|2.788222|1.929136|2.020295|17.547162|2.444450|2.873669|2.824396|6.157115|4.306646|5.900562|8.853548|6.735657|4.608179|3.976291|3.645778|17.546791|0.027760|0.028405|0.026930|0.028088|0.030799|0.032665|0.039240|0.038096|0.040322|0.038261|0.041227|0.042755|0.037683|0.038851|0.035581|0.043636|0.038671|0.039922|0.036089|0.047477|0.052323|0.074265|0.077018|0.151463|0.192041|0.090564|0.087727|0.091710|0.104717|0.302288|0.500000| 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