Version2.2 2021-02-12T08:44:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 18-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1C[C@H](C[NH+](C1)C(C)(C)CNC(=O)c2cc(ccc2Cl)S(=O)(=O)NC(C)C)C C59982467 RHF 6-31G(d) (6D,7F) C[C@@H]1C[C@H](C[NH+](C1)C(C)(C)CNC(=O)c2cc(ccc2Cl)S(=O)(=O)NC(C)C)C C01[X(C21H35Cl1N3O3S1)] 186 C1 513 C[C@@H]1C[C@@H](C)C[NH+](C1)C(CNC(=O)c1cc(ccc1Cl)S(=O)(=O)NC(C)C)(C)C C[C@@H]1C[C@@H](C)C[NH+](C1)C(CNC(=O)c1cc(ccc1Cl)S(=O)(=O)NC(C)C)(C)C CC(C)N[S](=O)(=O)c1ccc(Cl)c(c1)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2 InChIKey=CPQVYCJGCIRYKZ-HZPDHXFCSA-O InChI=1S/C21H34ClN3O3S/c1-14(2)24-29(27,28)17-7-8-19(22)18(10-17)20(26)23-13-21(5,6)25-11-15(3)9-16(4)12-25/h7-8,10,14-16,24H,9,11-13H2,1-6H3,(H,23,26)/p+1/t15-,16-/m1/s1 InChI=1/C21H34ClN3O3S/c1-14(2)24-29(27,28)17-7-8-19(22)18(10-17)20(26)23-13-21(5,6)25-11-15(3)9-16(4)12-25/h7-8,10,14-16,24H,9,11-13H2,1-6H3,(H,23,26)/p+1/t15-,16-/m1/s1/fC21H35ClN3O3S/h23,25H/q+1 C[C@@H]1C[C@H](C[NH+](C1)C(C)(C)CNC(=O)c2cc(ccc2Cl)S(=O)(=O)NC(C)C)C C01[X(C21H35Cl1N3O3S1)] 186 C01 513 C[C@@H]1C[C@@H](C)C[NH+](C1)C(CNC(=O)c1cc(ccc1Cl)S(=O)(=O)NC(C)C)(C)C C[C@@H]1C[C@@H](C)C[NH](C1)C(CNC(=O)[C]1[CH][C]([CH][CH][C]1Cl)S(=O)(=O)NC(C)C)(C)C CC(C)N[S](=O)(=O)[C]1[CH][CH][C](Cl)[C]([CH]1)C(=O)NCC(C)(C)[NH]2C[C@H](C)C[C@@H](C)C2 InChIKey=PPYSDICBAPNCJK-HZPDHXFCSA-N InChI=1S/C21H35ClN3O3S/c1-14(2)24-29(27,28)17-7-8-19(22)18(10-17)20(26)23-13-21(5,6)25-11-15(3)9-16(4)12-25/h7-8,10,14-16,24-25H,9,11-13H2,1-6H3,(H,23,26)/t15-,16-/m1/s1 InChI=1/C21H35ClN3O3S/c1-14(2)24-29(27,28)17-7-8-19(22)18(10-17)20(26)23-13-21(5,6)25-11-15(3)9-16(4)12-25/h7-8,10,14-16,24-25H,9,11-13H2,1-6H3,(H,23,26)/t15-,16-/m1/s1/f/h23H 3389.0310253334 -2060.3057078 1-A 17725.7054 119 394 513 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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| 10.0356 11.5464 24.0538 33.6813 38.6759 45.4912 54.4337 77.8976 91.3068 93.8567 123.4042 143.3875 149.4417 165.2803 172.2297 183.4168 204.0112 218.1234 238.2124 247.8782 251.5034 251.8272 254.5305 280.6258 284.8394 287.7230 291.0665 314.8521 324.1822 334.2468 337.2708 358.5377 370.3286 374.3922 390.5596 394.6707 401.8533 417.4160 426.1231 452.6102 470.9238 477.9743 491.1662 498.1843 503.2887 516.5936 523.1094 536.7731 549.1443 570.5045 600.9894 608.4155 640.3388 672.6244 676.8424 710.9642 734.1184 800.1695 814.4648 844.8259 855.8294 880.8349 902.1304 909.5239 926.2998 938.0778 962.5512 963.5849 970.0274 975.3685 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3292.0726 3294.1808 3303.5702 3307.5117 3309.8344 3311.7393 3316.7642 3321.7326 3365.8035 3373.5012 3406.2616 3409.1654 3422.7765 3553.9424 3796.2872 3869.9570 4.5387 4.3405 4.1348 4.5819 5.8462 2.9250 4.3893 4.1311 4.9413 5.8910 3.3809 5.1794 3.5155 4.6013 2.8726 3.7567 4.1614 3.2129 1.0481 1.2245 1.1905 2.2730 3.5985 7.1133 1.8187 1.8858 2.4622 2.5472 1.7190 2.5948 2.7458 2.2992 1.9848 2.7168 1.6495 2.4743 2.9633 4.8646 2.8352 2.9179 2.7386 2.4822 2.9096 2.0591 2.6142 3.3273 3.3584 2.9209 3.4414 2.4118 1.5536 3.1724 4.1841 3.5338 5.6554 6.5569 6.5199 4.6557 3.9154 4.2213 2.9550 6.6303 2.6880 2.2487 3.0797 1.9221 1.7984 1.8198 2.5179 1.8904 1.5881 1.1523 2.4822 1.8180 1.5531 1.4527 1.4408 1.9000 1.9391 1.8769 2.8636 2.3371 1.4385 1.5963 1.4781 2.0286 1.9675 5.0155 2.9762 2.4045 1.4432 4.9815 1.9168 2.1971 2.1648 2.9156 2.6404 1.9463 1.8994 1.8678 1.7193 1.4907 2.4063 2.6403 1.4498 1.2445 1.7272 1.7772 3.0904 1.2725 1.2519 1.4180 1.2481 1.7299 1.4417 1.4189 1.3190 3.1063 1.3933 1.3497 1.3013 1.4098 1.2451 1.2830 1.2430 1.2464 1.2271 1.2421 1.2043 1.0937 1.0492 1.0701 1.0496 1.0644 1.0949 1.1057 1.4328 1.3976 1.0686 1.0847 1.1021 1.0695 1.0495 1.0635 1.0557 1.0830 1.1670 1.9077 6.2146 5.5268 7.9557 1.0698 1.0405 1.0399 1.0404 1.0415 1.0839 1.0839 1.0368 1.0376 1.0910 1.0980 1.1004 1.0680 1.0955 1.0992 1.0707 1.0952 1.0846 1.0872 1.1043 1.1001 1.1029 1.1037 1.1028 1.1019 1.1048 1.1066 1.1026 1.1012 1.0924 1.0917 1.0965 1.0802 1.0764 1.0799 0.0003 0.0003 0.0014 0.0031 0.0052 0.0036 0.0077 0.0148 0.0243 0.0306 0.0303 0.0627 0.0463 0.0741 0.0502 0.0745 0.1020 0.0901 0.0350 0.0443 0.0444 0.0849 0.1374 0.3300 0.0869 0.0920 0.1229 0.1488 0.1064 0.1708 0.1840 0.1741 0.1604 0.2244 0.1482 0.2271 0.2819 0.4994 0.3033 0.3522 0.3578 0.3341 0.4136 0.3011 0.3901 0.5232 0.5415 0.4958 0.6114 0.4625 0.3306 0.6919 1.0108 0.9420 1.5265 1.9527 2.0702 1.7563 1.5303 1.7751 1.2752 3.0309 1.2889 1.0960 1.5569 0.9966 0.9817 0.9955 1.3959 1.0596 0.9195 0.7033 1.5229 1.1343 0.9764 0.9292 0.9465 1.2534 1.3534 1.3181 2.0476 1.7248 1.0709 1.1918 1.1267 1.5775 1.5590 4.0557 2.5640 2.0794 1.2857 4.4512 1.7620 2.0688 2.0708 2.7967 2.5369 1.9177 1.8852 1.8712 1.7334 1.5191 2.5272 2.9560 1.6979 1.4726 2.1003 2.1661 3.8763 1.5988 1.6001 1.8184 1.6182 2.2502 1.8960 1.9090 1.8321 4.3437 1.9600 1.9228 1.8696 2.0283 1.8112 1.8743 1.8256 1.8396 1.8358 1.8929 1.8364 1.7039 1.6418 1.6757 1.6478 1.6783 1.7278 1.7569 2.2786 2.2240 1.7047 1.7360 1.7676 1.7210 1.6911 1.7160 1.7145 1.7742 1.9447 3.2958 11.3614 10.5022 17.0087 6.4432 6.2963 6.3083 6.3205 6.3393 6.6491 6.6611 6.3850 6.4083 6.8336 6.8958 6.9235 6.7388 6.9137 6.9613 6.7945 6.9744 6.9133 6.9398 7.0514 7.0333 7.0918 7.1138 7.1183 7.1202 7.1609 7.1943 7.3597 7.3839 7.4677 7.4757 7.5687 8.0385 9.1402 9.5289 0.0666 0.9685 0.8850 1.5617 1.9667 0.2805 1.3310 2.7491 4.1106 2.4114 6.6578 2.6058 4.2571 2.0719 0.1965 0.6382 2.3720 1.9060 0.4830 0.4771 0.3785 2.9490 0.4456 0.5257 0.6861 3.5331 3.5403 0.5654 0.1740 0.7792 1.8288 0.1097 0.4934 1.2925 1.4383 1.0860 12.7608 11.8129 15.2012 12.8256 1.6449 15.0476 7.6947 5.6542 8.8358 16.6415 14.7678 1.0884 13.3828 81.0620 18.2090 63.8246 34.8278 24.9909 125.0405 71.6484 21.0598 5.5136 5.0350 17.9699 1.0291 17.4506 1.1684 15.1625 8.8971 13.4935 54.7934 34.3106 78.9872 53.0881 6.8149 0.1857 17.6187 3.8131 0.3284 0.4485 4.8468 4.0634 4.9179 12.5085 240.4979 32.0598 1.8675 0.0736 0.8036 18.9061 8.0453 50.2336 50.9986 5.5184 7.8422 102.1544 8.2792 18.5306 15.1357 74.2746 53.0808 2.6847 43.6151 41.1127 10.4482 14.7386 17.0192 1.9241 2.3272 13.4705 138.5676 104.3040 94.2673 3.9633 11.0532 3.4152 4.9077 77.5686 0.7148 3.5009 0.4681 19.3969 11.8470 24.5754 6.2782 3.2636 3.0569 2.9020 6.5331 5.3987 30.8501 93.2002 86.7239 4.6958 0.4095 28.6763 2.0148 1.0383 1.6935 6.0456 22.2742 20.1923 0.3488 12.9018 18.0216 19.5575 7.1603 41.2841 1.0624 22.7718 106.9573 265.1793 44.2231 29.0510 448.6033 13.4640 15.7574 30.3903 28.8969 10.3917 19.3843 14.2665 7.4219 2.3563 7.9599 11.7568 4.1282 12.5697 16.7325 22.4263 7.4703 56.2934 9.3347 55.3014 37.4704 22.9159 4.0464 9.2323 19.2457 16.0073 27.1124 18.1687 15.3636 8.7874 1.0550 0.2085 1.0611 455.3858 59.4156 70.7843 0.6296 0.2061 0.1866 0.4511 1.7367 0.4341 1.2846 0.5020 1.7780 1.5108 0.2624 0.7485 0.7529 0.5334 0.2953 0.4256 0.5372 0.4083 0.2091 0.3447 0.6161 1.8150 0.7157 4.3407 0.8763 0.2928 1.7597 1.2298 0.7101 0.3864 2.0721 2.3710 0.2228 0.7490 0.8271 1.1980 1.6139 2.4853 0.7019 2.6368 0.9019 0.6229 1.7801 1.0604 0.7686 1.5975 1.2632 1.4414 0.9646 2.9488 1.9169 1.3640 3.9961 3.6596 3.9076 1.5781 7.9370 0.4345 3.6829 8.6547 12.2541 1.2065 5.9781 7.5276 2.4995 3.5200 3.3768 1.2210 4.3238 2.7209 3.1088 1.2417 2.7833 3.3380 6.6619 2.4719 0.6743 1.3587 3.2883 9.3718 4.5895 7.6435 2.4841 3.7727 2.9946 10.2588 6.4687 7.0738 3.4693 4.6361 3.7732 1.9993 5.0894 5.6437 1.5894 9.1975 9.6147 0.9871 2.5785 7.2266 8.2025 2.0945 4.9546 3.1813 1.0825 8.7907 3.2253 13.5829 3.8062 4.1931 3.8086 3.9717 10.5119 3.6970 7.8894 1.6154 4.5196 1.0750 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1.00783 7826.6611 26593.0375 27957.6603 0.99995 0.00083 -0.00991 -0.00114 0.99952 -0.03104 0.00988 0.03105 0.99947 1 0.01107 0.00326 0.00310 0.23059 0.06787 0.06455 14.44 16.61 34.61 48.46 55.65 65.45 78.32 112.08 131.37 135.04 177.55 206.30 215.01 237.80 247.80 263.90 293.53 313.83 342.73 356.64 361.86 362.32 366.21 403.76 409.82 413.97 418.78 453.00 466.43 480.91 485.26 515.86 532.82 538.67 561.93 567.84 578.18 600.57 613.10 651.21 677.55 687.70 706.68 716.78 724.12 743.26 752.64 772.30 790.10 820.83 864.69 875.37 921.30 967.76 973.83 1022.92 1056.23 1151.27 1171.83 1215.52 1231.35 1267.33 1297.96 1308.60 1332.74 1349.68 1384.90 1386.38 1395.65 1403.34 1426.32 1464.36 1468.20 1480.60 1486.20 1499.09 1519.25 1522.45 1566.00 1570.82 1585.03 1610.25 1617.26 1619.57 1636.48 1652.93 1668.54 1685.56 1739.78 1743.13 1769.16 1771.86 1797.14 1818.87 1833.26 1835.82 1837.31 1860.64 1867.43 1876.15 1882.15 1892.20 1920.93 1983.35 2028.52 2038.95 2066.97 2069.36 2099.28 2101.08 2119.15 2122.63 2134.38 2137.80 2149.57 2174.18 2209.10 2216.57 2223.16 2237.24 2246.73 2248.34 2260.76 2265.57 2271.64 2277.18 2292.73 2313.95 2314.71 2339.57 2344.77 2345.60 2348.60 2353.71 2354.66 2362.78 2363.78 2364.54 2367.46 2371.35 2373.83 2377.75 2379.41 2380.98 2388.76 2399.21 2419.70 2463.78 2534.42 2583.88 2740.72 4600.18 4610.89 4616.67 4619.95 4624.46 4642.52 4646.79 4651.52 4658.33 4691.17 4697.47 4701.75 4708.42 4708.96 4717.11 4721.83 4730.24 4732.33 4735.79 4736.56 4739.59 4753.10 4758.77 4762.11 4764.85 4772.08 4779.23 4842.64 4853.72 4900.85 4905.03 4924.61 5113.33 5462.01 5568.01 0.596374 0.625669 0.626614 0.533517 -2059.709334 -2059.680038 -2059.679094 -2059.772191 3.122489D-04 MUNgauss RevisionA2.1 retrievium 12-Feb-2021 DUDE C[C@@H]1C[C@H](C[NH+](C1)C(C)(C)CNC(=O)c2cc(ccc2Cl)S(=O)(=O)NC(C)C)C C59982467 RHF 6-31G(d) (6D,10F) C1 444.208767 |X|Y|Z| 51.144266 44.911747 114.423691 64.055676 16 6 7 14 2 |36.858105| |12.449662|36.858105| |8.929421|17.541973|0.500000| |7.510923|12.447762|0.245717|36.858105| |4.879081|7.487293|0.187627|12.421138|36.858105| |4.095237|5.519647|0.138050|8.914545|17.541505|0.500000| |4.397389|6.500812|0.159846|7.549852|12.420565|0.252959|36.858105| |4.954051|7.601274|0.194103|6.471849|7.549328|0.155418|12.653639|53.358707| |4.754473|7.322915|0.221021|6.026771|7.134817|0.144293|9.246785|25.535837|0.500000| |7.626867|12.461674|0.248447|7.614426|6.508608|0.138431|7.774810|17.218899|0.261842|36.858105| |3.769759|4.881042|0.129203|4.286662|4.848179|0.113398|7.383961|16.779319|0.258627|7.422074|36.858105| |3.614893|4.311410|0.107673|3.871154|4.094702|0.101280|5.850527|10.291362|0.158815|6.515031|12.428910|36.858105| |3.003962|3.788376|0.103249|3.634084|4.427731|0.109363|6.580875|10.273571|0.189438|4.903082|12.436461|7.603198|36.858105| |3.551156|4.332681|0.122367|3.581268|3.811332|0.089882|4.905872|10.269514|0.210464|6.054947|12.279518|7.618590|7.568478|36.858105| |3.099590|3.765152|0.112823|3.214208|3.517571|0.083586|4.256222|7.956463|0.188689|4.639351|7.430131|4.988732|6.609427|13.107166|53.358707| |3.254776|4.030734|0.129062|3.418517|3.750246|0.087452|4.235147|7.657516|0.205076|4.571124|5.784176|4.045747|5.274513|7.745317|19.231067|36.858105| |3.944145|5.195323|0.179530|4.231978|4.604845|0.102526|4.976039|9.319410|0.289500|5.615779|5.868720|4.098355|5.010908|6.849085|11.621255|15.746636|73.516695| |2.667058|3.150055|0.100080|2.786700|3.043136|0.073635|3.285300|5.372550|0.133434|3.380784|4.065272|3.120481|4.037642|5.034226|10.750010|12.706866|14.206701|36.858105| |2.304345|2.700372|0.083089|2.483595|2.775699|0.068951|3.035915|4.725490|0.112260|2.916740|3.714008|2.913482|4.013889|4.345212|8.798528|7.678160|9.820841|13.742419|36.858105| |2.008564|2.294663|0.070158|2.140468|2.358676|0.059738|2.512961|3.787509|0.087634|2.421366|2.926673|2.409872|3.144731|3.328239|6.066011|5.061897|7.262622|7.921794|13.766893|36.858105| |1.958528|2.196349|0.067789|2.031765|2.187293|0.055398|2.274508|3.432296|0.079369|2.268610|2.586218|2.171937|2.673427|2.957215|5.180598|4.446441|6.699681|6.838443|7.938585|13.782176|36.858105| |2.166028|2.417501|0.076088|2.186924|2.310060|0.057713|2.372374|3.655063|0.085835|2.465846|2.694371|2.251936|2.678286|3.146447|5.501483|5.010955|7.698536|7.900987|6.885932|7.962220|13.746107|36.858105| |2.552968|2.909433|0.093605|2.559629|2.700658|0.065963|2.799023|4.477019|0.108638|2.996089|3.268987|2.644547|3.155862|3.956995|7.283980|7.503490|11.007580|13.653136|7.953107|6.895690|7.942548|13.786138|36.858105| |2.912432|3.213561|0.106223|2.713909|2.724643|0.065889|2.747189|4.464667|0.107595|3.196962|3.126499|2.598064|2.847440|3.782027|6.243441|6.120158|10.726306|6.971065|4.754271|4.238702|4.791915|7.117404|10.994120|448.794386| |1.740239|1.969677|0.058847|1.882292|2.089685|0.054159|2.237949|3.260788|0.073020|2.085098|2.557464|2.172443|2.852711|2.789381|4.759597|3.663454|5.523990|4.727102|6.979578|10.723320|6.923181|4.717341|4.197148|24.389493|388.023441| |1.582801|1.758935|0.052411|1.676244|1.826855|0.047597|1.932959|2.814440|0.062425|1.845993|2.191767|1.907598|2.379797|2.403453|3.977044|3.047777|4.698059|3.858116|5.014786|7.420457|6.517659|4.439596|3.716970|22.504062|94.879884|73.516695| |1.758299|1.999736|0.058903|1.914950|2.143693|0.055728|2.359428|3.440649|0.075814|2.165372|2.797473|2.381273|3.234504|3.032331|5.149185|3.713608|5.514210|4.455857|6.545138|7.381486|4.990455|3.860120|3.721907|22.472644|94.586636|13.556113|73.516695| |1.706865|1.944299|0.058094|1.901230|2.144246|0.056225|2.254462|3.179722|0.071219|2.021751|2.423068|2.059829|2.740660|2.534887|4.192113|3.308647|5.239963|4.059710|5.499069|7.047524|5.361328|4.008695|3.651584|22.155579|83.138578|13.455326|13.863106|53.358707| |1.577159|1.773166|0.053039|1.744274|1.942123|0.051334|1.994938|2.785740|0.062115|1.810138|2.080230|1.799331|2.295617|2.164483|3.484305|2.781240|4.547350|3.358516|4.138641|5.251476|4.745902|3.665764|3.223054|20.349870|49.711669|11.439897|8.921996|17.553782|36.858105| |1.408250|1.565025|0.046262|1.545363|1.707008|0.045580|1.760211|2.443593|0.053598|1.603911|1.842128|1.626623|2.032359|1.907000|3.000630|2.328298|3.823263|2.720503|3.267001|3.976161|3.674290|2.946095|2.622472|17.175771|38.997867|10.229668|7.814634|10.414498|12.476866|36.858105| |1.612579|1.822463|0.054635|1.822818|2.048921|0.054575|2.062478|2.820108|0.063013|1.830712|2.055941|1.775734|2.267058|2.092149|3.312774|2.686089|4.538126|3.137576|3.678852|4.264289|3.951764|3.306381|3.015980|19.666543|34.436728|7.673100|6.961643|10.667572|12.485934|7.509681|36.858105| |4.121610|5.901748|0.179389|7.431547|12.412567|0.249009|7.470999|8.172940|0.189311|5.019932|4.233906|3.414914|4.091640|3.609146|4.909394|4.126199|9.286351|3.451505|3.129443|2.660280|2.473886|2.623239|3.075587|24.489950|16.474044|3.567985|4.132328|3.303816|2.207752|1.900339|2.376843|36.858105| |17.541457|8.755585|0.173540|6.789438|4.530103|0.110616|4.225544|6.215231|0.115880|6.895100|3.614446|3.674806|2.897881|3.313363|3.861877|2.888793|6.008531|2.393060|2.110951|1.851082|1.794379|1.957253|2.273457|20.340128|11.589191|2.642157|2.952314|2.176831|1.478011|1.331176|1.508698|3.663087|0.500000| |17.556505|8.753306|0.214341|5.465731|4.042684|0.095195|3.853505|6.253666|0.125410|6.922050|3.702308|3.557383|2.912233|3.698287|4.379482|3.365579|7.147873|2.758085|2.348440|2.048497|2.015022|2.255394|2.677176|25.279273|12.505243|2.860032|3.151786|2.317146|1.572037|1.404513|1.591685|3.597535|0.300912|0.500000| |17.579700|8.822442|0.213605|6.869627|4.510707|0.108380|3.835450|5.573049|0.112919|5.528756|3.189504|3.028922|2.654657|3.034112|3.745484|2.948784|6.325511|2.493153|2.165840|1.915492|1.887278|2.091496|2.432712|22.453503|11.836372|2.707142|2.960268|2.242053|1.538701|1.374385|1.585504|4.005892|0.301980|0.302356|0.500000| |7.011259|8.883624|0.174021|17.505970|8.845221|0.223782|6.735537|7.655837|0.136827|6.846708|4.023619|3.904732|3.422387|3.311260|3.954958|2.986962|6.297689|2.468965|2.237236|1.946354|1.845277|1.967983|2.271950|19.229024|12.365173|2.769910|3.170843|2.383403|1.609611|1.442196|1.674326|5.483629|0.208124|0.141853|0.174479|0.500000| |6.815368|8.832428|0.214129|17.570126|8.832028|0.208302|5.504515|6.629788|0.134079|5.527642|3.499741|3.178401|3.078314|3.062923|3.872544|3.089494|6.750896|2.606761|2.327551|2.040908|1.963220|2.121478|2.452342|21.125105|12.781915|2.868009|3.210492|2.492893|1.703219|1.509236|1.796491|7.027045|0.166649|0.140003|0.204038|0.303824|0.500000| |4.244481|5.748541|0.133593|6.765688|8.780471|0.223465|17.617017|12.385647|0.180944|7.149958|6.703922|6.404703|5.913930|4.438174|5.053550|3.559340|7.134530|2.838564|2.659431|2.242702|2.041416|2.117744|2.458808|19.536657|14.465590|3.160047|3.842258|2.774959|1.815805|1.625667|1.867073|5.476501|0.120252|0.102856|0.101882|0.196653|0.138603|0.500000| |3.557529|4.885081|0.129054|5.517385|8.862422|0.214541|17.708976|12.306166|0.218944|5.638142|6.987640|5.320766|7.822725|4.718382|5.902808|4.288047|8.545839|3.406332|3.262056|2.683283|2.377628|2.430249|2.837419|21.522952|17.249946|3.666340|4.602008|3.370588|2.161898|1.900571|2.243978|7.086205|0.094854|0.089337|0.088865|0.138883|0.123827|0.301944|0.500000| |7.015719|8.843021|0.215449|5.531901|4.861140|0.108755|5.635932|12.292997|0.222479|17.688146|7.085252|6.315732|4.578060|7.003452|6.950046|4.917964|10.440735|3.579343|3.014163|2.495360|2.358811|2.600218|3.203887|28.219789|15.073395|3.358814|3.906237|2.744944|1.803623|1.599502|1.801268|4.160597|0.172029|0.209630|0.142559|0.140814|0.123716|0.146052|0.126339|0.500000| |6.905009|8.816820|0.174343|6.928947|5.849775|0.134835|7.198183|12.351119|0.182461|17.627341|6.660050|7.181232|4.594801|5.168089|5.350806|3.735498|7.669076|2.891002|2.572700|2.173248|2.033673|2.178890|2.582176|21.841833|13.618676|3.034451|3.566393|2.533988|1.673606|1.500402|1.691750|4.298792|0.204951|0.169567|0.141016|0.204265|0.140841|0.220356|0.146050|0.301785|0.500000| |3.590161|4.281795|0.103676|4.108045|4.402387|0.112546|6.467983|9.530666|0.143879|6.150270|8.732664|17.590392|6.711189|5.502703|5.523888|3.490350|6.450086|2.774359|2.624416|2.207775|1.997806|2.060035|2.385078|18.853375|14.368430|3.163593|3.918442|2.656894|1.719658|1.561765|1.716207|3.492140|0.104367|0.094738|0.084277|0.119964|0.092514|0.226232|0.160102|0.151150|0.207261|0.500000| |3.015653|3.476871|0.089451|3.186349|3.400790|0.086419|4.608024|7.519555|0.127426|4.792197|8.895993|17.592707|7.229613|6.821045|6.478008|3.735199|6.422826|2.988528|2.869203|2.393718|2.139551|2.185901|2.527744|19.554536|15.634899|3.438768|4.365769|2.805738|1.790359|1.633293|1.747762|2.953839|0.085069|0.083551|0.072016|0.089218|0.075048|0.137575|0.124460|0.133999|0.142256|0.303602|0.500000| |3.977283|4.508832|0.110699|3.836614|3.791613|0.093257|4.992025|9.020782|0.145085|7.002255|8.691487|17.593741|5.502380|7.106176|6.286101|3.835162|7.007515|2.977096|2.718545|2.276539|2.091445|2.200827|2.590318|21.094583|14.454367|3.218212|3.903767|2.607793|1.692419|1.533406|1.667544|3.176594|0.114047|0.111895|0.090330|0.108700|0.088075|0.150404|0.121534|0.207544|0.224798|0.300891|0.302910|0.500000| |2.928890|3.747363|0.106210|3.641825|4.609071|0.112615|6.410870|9.562989|0.202421|4.548193|8.702596|5.500744|17.595588|6.623513|9.489172|6.099206|10.193633|4.700430|4.781134|3.620319|3.003559|2.981120|3.536878|24.713444|23.011195|4.669281|6.477020|4.307155|2.601956|2.255683|2.589167|4.612205|0.076897|0.078629|0.073205|0.092312|0.087326|0.147190|0.229233|0.117689|0.113691|0.140109|0.143540|0.122104|0.500000| |2.657356|3.211116|0.088208|3.039256|3.540829|0.089445|4.808250|7.527884|0.144515|4.064998|8.915646|6.776676|17.589732|7.267996|9.013344|4.909862|7.770409|3.954763|4.081604|3.222118|2.703431|2.663438|3.088660|21.991285|21.246599|4.429477|6.244138|3.796420|2.309230|2.067626|2.231826|3.350758|0.071630|0.072935|0.065727|0.080563|0.073227|0.125945|0.151181|0.110786|0.107724|0.159276|0.210151|0.141912|0.303176|0.500000| |2.876628|3.587351|0.095111|3.627911|4.523903|0.117173|6.910390|8.929428|0.156338|4.518180|8.733858|7.138373|17.612324|5.498167|6.550483|4.125421|7.255915|3.332083|3.352391|2.739246|2.361906|2.352992|2.708237|19.940811|18.207773|3.846549|5.136021|3.429141|2.143015|1.921716|2.143750|3.998649|0.078731|0.076014|0.071136|0.097652|0.085175|0.187702|0.243247|0.112855|0.124280|0.204800|0.190114|0.141958|0.300278|0.303683|0.500000| |4.098417|4.871383|0.138251|3.754480|3.762082|0.087769|4.584430|9.738105|0.201746|6.939751|8.712418|6.656000|5.513414|17.624839|12.471365|7.049141|12.293398|4.694643|3.866518|3.060688|2.824091|3.100543|3.942581|32.705979|18.044740|3.971864|4.771128|3.154643|2.020140|1.783556|1.963123|3.535720|0.104256|0.123696|0.094998|0.096061|0.089399|0.116472|0.116357|0.263684|0.157486|0.139265|0.158175|0.200764|0.140042|0.144051|0.122504|0.500000| |3.088308|3.583658|0.099214|3.056055|3.219576|0.078506|4.074685|7.599507|0.149021|4.820532|8.978813|7.547177|6.686712|17.630276|12.738911|5.800151|8.908498|4.319324|3.940626|3.120745|2.770330|2.890363|3.498524|26.612323|19.196774|4.185275|5.331100|3.286451|2.061880|1.845226|1.968708|3.029505|0.082154|0.089841|0.074129|0.080723|0.073709|0.107637|0.110949|0.153061|0.123402|0.147713|0.220178|0.198444|0.154929|0.206711|0.142059|0.305339|0.500000| |2.691652|3.154655|0.093431|2.754100|2.991181|0.072965|3.548514|6.181740|0.139675|3.781649|5.788232|4.350037|5.636337|9.071210|26.039308|9.466192|10.930279|7.593133|6.963625|4.847991|4.042551|4.152853|5.251567|34.453610|27.262410|5.693512|7.589541|4.379767|2.638748|2.291590|2.445063|3.072885|0.069372|0.077969|0.067259|0.070318|0.068806|0.088562|0.101907|0.115200|0.092559|0.099664|0.122104|0.112740|0.162331|0.173259|0.118898|0.192474|0.239851|0.500000| |2.287926|2.709842|0.081708|2.530025|2.890921|0.072284|3.266541|5.027103|0.117110|2.995786|4.117983|3.180619|4.780678|4.662982|9.387003|7.122588|9.296506|8.902456|17.749398|8.968309|5.661749|4.961463|5.644912|31.396451|47.807343|8.250734|13.470845|7.502746|3.975079|3.222522|3.572534|3.202908|0.058874|0.064122|0.059271|0.063805|0.065037|0.079575|0.100289|0.084762|0.074207|0.079515|0.088226|0.080324|0.163866|0.138568|0.108799|0.109609|0.118965|0.209657|0.500000| |1.771398|1.960751|0.059945|1.831919|1.961128|0.050242|2.024963|3.008519|0.068467|2.012212|2.263960|1.941699|2.346845|2.545600|4.290768|3.556337|5.537638|4.937622|5.649825|8.926121|17.756104|8.916365|5.651907|31.779314|46.847256|13.248891|8.160088|7.123099|5.049634|4.003754|4.024689|2.202231|0.045383|0.050541|0.047721|0.046581|0.049499|0.051028|0.058734|0.057890|0.050688|0.050028|0.053413|0.052098|0.072294|0.066194|0.058550|0.067911|0.067220|0.093049|0.124569|0.500000| |2.067680|2.261548|0.071035|2.046817|2.126137|0.053447|2.152349|3.286799|0.076206|2.271714|2.396328|2.045816|2.353102|2.766750|4.620975|4.085592|6.599137|5.637941|4.962372|5.657030|8.909658|17.761027|8.959011|54.812968|27.705902|6.896682|5.753736|4.662604|3.288674|2.717266|3.011360|2.399476|0.051913|0.060112|0.056028|0.051389|0.055751|0.053869|0.060622|0.066672|0.056144|0.052334|0.055092|0.056131|0.071600|0.064850|0.058251|0.077231|0.071242|0.096122|0.107731|0.214586|0.500000| |1.680083|1.920132|0.056790|1.897346|2.162540|0.057209|2.296533|3.192508|0.070671|2.010746|2.454538|2.096813|2.846422|2.516504|4.093169|3.148650|5.021236|3.682199|4.895824|5.605505|4.303341|3.411689|3.233500|20.206315|62.024125|10.643371|14.055835|25.893780|9.013150|6.955975|6.867215|2.424451|0.044011|0.046288|0.044913|0.048820|0.050538|0.057970|0.071013|0.055286|0.051830|0.055554|0.058646|0.053661|0.091423|0.080908|0.073574|0.063244|0.067006|0.087050|0.146951|0.115241|0.082001|0.500000| |1.588249|1.774378|0.053444|1.726751|1.898656|0.049837|1.939470|2.743592|0.061526|1.802794|2.040336|1.765144|2.207627|2.157812|3.495794|2.829675|4.614724|3.515125|4.243849|5.716567|5.680151|4.221855|3.518599|21.961509|48.847319|12.644793|8.275857|12.565485|17.606764|8.904990|8.920442|2.160880|0.041156|0.044259|0.043141|0.044142|0.046996|0.048999|0.057673|0.050305|0.046090|0.046609|0.048638|0.046519|0.069054|0.061640|0.056810|0.056534|0.056998|0.073740|0.107790|0.180943|0.106438|0.179708|0.500000| |1.385086|1.543160|0.045310|1.536867|1.709828|0.045992|1.770376|2.430450|0.052925|1.586726|1.837948|1.630067|2.054248|1.876515|2.922095|2.240480|3.696914|2.556249|3.063751|3.563552|3.204720|2.638590|2.417155|16.024472|34.665873|8.478699|7.595403|9.379959|8.803704|17.529038|6.814549|1.893179|0.036536|0.038192|0.037497|0.040003|0.041599|0.045591|0.053502|0.043690|0.041455|0.043726|0.045608|0.042439|0.063273|0.058118|0.054498|0.048469|0.050583|0.061782|0.086509|0.093743|0.067383|0.202923|0.173728|0.500000| |1.340369|1.479176|0.043728|1.464150|1.605481|0.043013|1.637858|2.265606|0.049601|1.502719|1.691718|1.504520|1.844109|1.747441|2.719291|2.120784|3.528974|2.456202|2.855647|3.419399|3.307820|2.729979|2.418597|16.187736|30.697689|8.296473|6.296640|7.572754|8.831109|17.561769|6.864674|1.788112|0.035205|0.037125|0.036538|0.038004|0.039984|0.042144|0.048772|0.041610|0.039121|0.040275|0.041811|0.039620|0.056460|0.051785|0.048694|0.045825|0.046912|0.057275|0.077315|0.101632|0.071570|0.141350|0.212802|0.301681|0.500000| |1.378163|1.524237|0.044955|1.492967|1.637860|0.043597|1.702836|2.388086|0.052212|1.573648|1.821439|1.616416|2.001715|1.907566|3.007825|2.304728|3.738919|2.708005|3.273198|4.061205|3.763416|2.970204|2.617835|17.092983|42.140170|12.516231|8.402609|9.423215|8.798168|17.605721|5.478255|1.803761|0.036247|0.038383|0.037233|0.038828|0.040351|0.043881|0.050839|0.043896|0.040960|0.042875|0.045378|0.042443|0.061146|0.057242|0.052319|0.049539|0.051753|0.064718|0.089460|0.116462|0.076203|0.173670|0.213946|0.300323|0.301091|0.500000| |1.758223|2.005503|0.060805|2.004200|2.265571|0.059831|2.256790|3.091441|0.070068|1.997321|2.219191|1.890353|2.431165|2.258464|3.609437|3.008463|5.139545|3.547251|4.089992|4.631524|4.323641|3.702468|3.416670|22.053739|33.723988|7.256993|6.830923|9.730717|8.802370|5.477003|17.578429|2.692214|0.045341|0.048110|0.048114|0.050590|0.055027|0.056039|0.068174|0.054443|0.050777|0.050673|0.051190|0.049324|0.078182|0.065560|0.063399|0.059032|0.058208|0.072934|0.108064|0.117724|0.092593|0.170273|0.214766|0.139496|0.140666|0.122899|0.500000| |1.514740|1.693148|0.050669|1.696451|1.883742|0.050431|1.876073|2.559341|0.056861|1.686365|1.854578|1.621433|2.016264|1.887713|2.946735|2.382652|4.072929|2.751740|3.119626|3.595843|3.503078|3.008522|2.717797|18.230450|28.278428|6.729682|5.818427|7.669947|8.835119|6.880379|17.569618|2.173099|0.039425|0.041561|0.041632|0.043443|0.046811|0.047509|0.056097|0.046149|0.043464|0.043678|0.044286|0.042595|0.063043|0.055094|0.053303|0.049715|0.049516|0.060331|0.083366|0.101904|0.078389|0.140488|0.212624|0.169559|0.206279|0.140784|0.300516|0.500000| |1.587638|1.800659|0.053486|1.822841|2.071938|0.055772|2.095077|2.819311|0.062405|1.816451|2.061363|1.788097|2.310679|2.061571|3.223752|2.570597|4.364929|2.911071|3.414609|3.779591|3.394125|2.900892|2.730328|18.088741|31.284402|6.808690|6.791386|9.583502|8.794414|6.787037|17.536416|2.388758|0.041503|0.043267|0.043279|0.046741|0.049754|0.052880|0.064043|0.049255|0.046938|0.048357|0.049018|0.046312|0.073380|0.063125|0.061462|0.053354|0.054058|0.065890|0.095704|0.094168|0.073281|0.200287|0.173777|0.201372|0.168257|0.139272|0.300879|0.301906|0.500000| |4.342404|6.347931|0.220112|6.624243|8.643033|0.172977|6.609680|8.758260|0.231611|5.382974|4.498559|3.487259|4.200083|4.044380|5.681203|5.097662|12.562541|4.139709|3.583683|2.983557|2.792736|3.032365|3.677930|29.623599|17.822257|3.845019|4.419523|3.521834|2.339180|1.986679|2.491390|17.571294|0.103109|0.108710|0.116058|0.135539|0.173107|0.135527|0.172431|0.128758|0.120708|0.095365|0.083769|0.091342|0.133955|0.096445|0.108288|0.111716|0.091746|0.096521|0.099503|0.067935|0.076377|0.070668|0.064377|0.054378|0.051791|0.052580|0.079324|0.062992|0.068365|0.500000| 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