Version2.1 2021-01-07T20:59:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 29-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1Cl)NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2n4cccc4)C[NH+](CC3)C C20532148 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1Cl)NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2n4cccc4)C[NH+](CC3)C C01[X(C26H34Cl1N4O1S1)] 195 C1 571 CC(CC[C@@H](c1c(sc2c1CC[NH+](C2)C)n1cccc1)NC(=O)Nc1ccc(c(c1)Cl)C)C CC(CC[C@@H](c1c(sc2c1CC[NH+](C2)C)n1cccc1)NC(=O)Nc1ccc(c(c1)Cl)C)C CC(C)CC[C@H](NC(=O)Nc1ccc(C)c(Cl)c1)c2c3CC[NH+](C)Cc3sc2n4cccc4 InChIKey=CXVKVYXXDKNLDB-QFIPXVFZSA-O InChI=1S/C26H33ClN4OS/c1-17(2)7-10-22(29-26(32)28-19-9-8-18(3)21(27)15-19)24-20-11-14-30(4)16-23(20)33-25(24)31-12-5-6-13-31/h5-6,8-9,12-13,15,17,22H,7,10-11,14,16H2,1-4H3,(H2,28,29,32)/p+1/t22-/m0/s1 InChI=1/C26H33ClN4OS/c1-17(2)7-10-22(29-26(32)28-19-9-8-18(3)21(27)15-19)24-20-11-14-30(4)16-23(20)33-25(24)31-12-5-6-13-31/h5-6,8-9,12-13,15,17,22H,7,10-11,14,16H2,1-4H3,(H2,28,29,32)/p+1/t22-/m0/s1/fC26H34ClN4OS/h28-30H/q+1 Cc1ccc(cc1Cl)NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2n4cccc4)C[NH+](CC3)C C01[X(C26H34Cl1N4O1S1)] 195 C01 571 CC(CC[C@@H](c1c(sc2c1CC[NH+](C2)C)n1cccc1)NC(=O)Nc1ccc(c(c1)Cl)C)C CC(CC[C@@H]([C]1=C(SC2=[C]1CC[NH](C2)C)N1C=[CH][CH]=C1)NC(=O)N[C]1[CH][CH][C]([C]([CH]1)Cl)C)C C[C]1[CH][CH][C]([CH][C]1Cl)NC(=O)N[C@@H](CCC(C)C)c2c3CC[NH](C)Cc3sc2n4cccc4 InChIKey=QNWULPZPQASCGX-QFIPXVFZSA-N InChI=1S/C26H34ClN4OS/c1-17(2)7-10-22(29-26(32)28-19-9-8-18(3)21(27)15-19)24-20-11-14-30(4)16-23(20)33-25(24)31-12-5-6-13-31/h5-6,8-9,12-13,15,17,22,30H,7,10-11,14,16H2,1-4H3,(H2,28,29,32)/t22-/m0/s1 InChI=1/C26H34ClN4OS/c1-17(2)7-10-22(29-26(32)28-19-9-8-18(3)21(27)15-19)24-20-11-14-30(4)16-23(20)33-25(24)31-12-5-6-13-31/h5-6,8-9,12-13,15,17,22,30H,7,10-11,14,16H2,1-4H3,(H2,28,29,32)/t22-/m0/s1/f/h28-29H 3740.7990207852 -2153.8244049 1-A 21517.5797 129 442 571 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.88457 -92.08415 -20.61362 -15.86295 -15.69738 -15.68673 -15.68100 -11.47191 -11.45578 -11.44799 -11.44753 -11.40789 -11.39559 -11.38467 -11.37880 -11.37621 -11.36389 -11.36039 -11.35393 -11.32554 -11.32445 -11.32060 -11.31332 -11.31308 -11.30964 -11.30558 -11.30371 -11.29985 -11.28824 -11.28217 -11.28014 -11.27919 -11.27867 -10.61793 -9.09432 -8.08730 -8.08399 -8.08396 -6.77683 -6.77579 -6.77397 -1.50605 -1.50139 -1.39837 -1.35563 -1.32620 -1.30288 -1.25226 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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| 9.6024 13.9269 23.5245 24.0309 30.5555 40.7963 47.1434 50.3564 56.3901 65.0469 70.4288 84.8786 93.5670 116.5622 135.1710 156.5607 164.8453 171.8299 177.1392 190.2887 208.2045 216.6108 225.4102 236.6187 243.0624 244.7490 257.0365 266.4484 276.8706 285.3414 297.2398 300.4062 321.2309 361.3229 370.2242 389.7572 404.8432 413.4328 423.3377 441.5171 455.9860 475.1443 477.9056 497.1826 497.4317 510.5788 514.4802 548.3851 563.6515 578.1158 622.1772 637.8439 652.4474 657.7142 669.3572 673.4117 738.7521 758.8197 777.7488 792.0632 810.9360 815.4199 819.9578 844.7166 849.8353 861.8867 866.4185 883.6081 897.9525 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3253.2828 3253.5555 3258.6334 3262.3442 3262.6859 3270.2473 3275.5772 3275.7548 3278.0294 3289.1411 3297.1108 3308.8122 3317.4815 3335.7428 3362.5030 3365.6326 3375.2590 3377.2755 3427.6342 3440.0591 3446.3263 3456.6360 3476.5205 3687.8138 3853.4482 3873.8979 8.2632 4.7857 3.1678 3.5812 4.4297 3.9718 3.9706 4.8586 5.1433 4.8655 6.1123 4.4033 3.6805 2.8772 3.1735 1.3556 1.8567 2.8713 4.9252 3.5426 3.3653 4.9620 3.6899 1.6691 1.4842 1.2245 4.2320 2.4980 1.3130 4.5219 5.2429 3.2297 4.6769 3.3202 2.6551 3.1225 2.2334 3.3118 2.2843 3.4862 4.8750 2.5037 3.7223 3.0406 2.5495 3.7943 3.6012 4.7633 3.8278 1.3580 3.8146 4.5970 4.7588 4.4083 3.1545 4.4304 4.5825 6.5043 3.1594 6.0480 2.9528 1.2914 2.0005 4.0282 1.2050 3.7685 3.2388 3.0242 4.0807 2.2703 1.3688 5.9128 4.8478 2.5808 1.9374 1.3837 1.4145 1.7018 2.3333 1.3500 2.2849 1.5193 1.8604 2.3430 2.4611 2.3890 1.3500 1.6408 2.6873 1.9633 3.8528 2.2209 1.8795 3.2267 2.2619 1.5026 1.2595 2.3954 2.9169 1.5400 2.9895 2.2440 1.5252 2.2113 1.3366 1.9054 1.6531 1.6992 1.6381 2.5644 1.8525 1.7668 1.8452 1.8113 1.9738 1.4222 1.8632 1.5819 2.1056 1.1859 1.6553 1.8120 1.3990 1.3400 1.3231 1.2677 1.4361 1.5357 2.4983 1.6042 1.5243 2.0307 2.9002 1.2377 1.2437 1.2383 1.2750 1.2525 1.0865 1.0700 1.0436 1.0605 1.1268 1.0832 1.0753 1.0772 1.0715 1.0700 1.0640 2.9723 1.0467 1.0943 1.9510 1.8746 5.4085 2.8006 4.3698 3.8374 9.1008 5.9665 7.9551 1.0698 1.0818 1.0400 1.0414 1.0689 1.0721 1.0367 1.0903 1.0994 1.0577 1.1013 1.0350 1.1008 1.1026 1.0605 1.1007 1.1027 1.0878 1.1037 1.1098 1.0910 1.1121 1.1103 1.1105 1.0917 1.0930 1.0904 1.0952 1.0942 1.1055 1.1040 1.0784 1.0771 1.0777 0.0004 0.0005 0.0010 0.0012 0.0024 0.0039 0.0052 0.0073 0.0096 0.0121 0.0179 0.0187 0.0190 0.0230 0.0342 0.0196 0.0297 0.0499 0.0911 0.0756 0.0860 0.1372 0.1105 0.0551 0.0517 0.0432 0.1647 0.1045 0.0593 0.2169 0.2729 0.1717 0.2843 0.2554 0.2144 0.2795 0.2157 0.3335 0.2412 0.4004 0.5972 0.3330 0.5009 0.4428 0.3717 0.5828 0.5616 0.8440 0.7165 0.2674 0.8700 1.1019 1.1935 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1.5642 3.4742 0.3432 0.5997 0.3061 1.3111 0.4770 2.1426 1.5109 6.0384 7.8840 1.4437 1.7848 1.0128 0.0655 0.2193 0.0924 0.6443 1.7583 0.0928 8.7211 0.9617 2.4767 2.6022 0.8606 0.8086 6.5296 2.3799 1.1543 1.1426 6.0914 3.1814 2.9327 2.8691 2.9422 14.4107 14.7979 3.1330 20.2479 12.1909 9.2966 3.9468 12.9553 4.8827 1.5957 0.5239 0.1555 11.3161 1.9837 132.1387 6.8437 3.2210 1.5941 13.3732 1.1428 4.1208 6.1542 14.2048 1.9556 1.6061 6.0982 19.2129 0.2522 7.4157 72.0088 13.8510 9.1731 3.9337 62.7473 21.6515 16.0440 0.9853 26.9494 11.6304 41.3943 4.0911 0.6740 4.8355 13.2435 1.2195 10.7111 0.6112 16.4512 21.9746 14.5434 38.0268 0.8468 17.3289 12.6080 1.1612 12.2268 11.7072 1.6443 45.7513 8.8433 1.7651 9.1303 33.9549 14.1237 34.9029 5.7118 14.5205 10.7943 9.9088 1.3905 18.1781 1.8863 4.2605 2.9507 20.2601 194.2196 128.5404 25.5250 136.1244 0.9178 1.4329 22.3980 41.5300 1.9053 7.3452 31.7562 49.6836 4.9080 6.8457 8.3761 10.1444 4.1905 74.0313 82.7297 29.1232 4.2525 1.7044 37.5333 1.7447 5.1462 35.0536 62.6521 22.3733 2.4166 9.7395 6.3186 0.0947 10.6890 8.1018 2.7783 7.5061 31.7436 23.5181 3.3624 58.2836 10.9497 17.9835 188.7878 32.0644 363.0300 651.7025 2.8211 140.4063 42.6552 99.7449 272.3587 22.6265 23.4662 24.0822 36.6699 7.8582 22.2873 25.1790 23.0420 43.7377 4.8121 18.9597 7.3169 70.0749 28.8078 13.9452 71.4532 16.1820 23.1467 18.4153 2.4423 2.1829 5.0888 1.5104 2.4124 19.0136 1.1399 5.1736 2.6476 0.3491 1.2061 8.7298 48.1879 21.8598 43.8029 3.4302 3.4397 1.1800 1.3608 2.4557 0.7881 4.6165 0.6065 0.7501 3.9784 1.1536 0.3226 0.2992 0.3036 0.6144 0.3207 0.5374 0.6416 2.8145 1.0086 0.8483 0.8072 1.6203 0.2825 0.1051 0.1099 0.4757 1.5034 0.5652 1.2654 5.8331 0.9004 2.4735 1.3106 3.4803 2.1928 0.3145 0.2662 2.2072 2.6437 1.7165 1.6367 1.6183 0.4060 1.6519 4.6226 2.3063 2.2496 1.8075 3.3098 5.4094 2.5218 3.0069 3.0796 1.9835 3.9861 4.4509 7.2963 1.2858 2.4637 5.1831 3.0188 10.4331 1.4742 1.7180 4.9900 1.9096 9.8254 5.5167 0.5689 1.3513 5.0667 4.6303 2.3189 1.5821 0.9281 3.0016 8.0820 5.6427 1.4137 7.3545 7.3938 0.9422 4.0126 5.6917 5.7824 1.2011 1.8024 5.0531 5.2516 7.9367 20.1244 2.6794 6.7737 3.6889 0.2259 7.7649 0.5368 7.0705 16.6549 4.7583 11.2190 8.1993 2.3482 5.7992 7.1279 3.5818 7.3497 3.5533 4.1605 2.8845 1.8205 25.8397 18.6747 2.1684 1.8859 3.1629 3.4993 2.3684 11.3609 17.5716 27.8250 10.3080 9.4008 8.5505 0.5830 10.8068 28.0756 1.3018 10.2676 7.2333 21.8002 19.0385 20.3445 1.6629 8.5821 5.2290 1.1661 10.2553 4.7115 19.1112 20.0906 12.1329 19.0860 10.0597 1.7488 18.0575 11.2397 24.2436 26.2160 2.5751 9.5928 3.1028 2.4549 157.3627 40.2663 0.3698 9.2050 30.4180 99.9737 27.0132 63.0754 43.9202 11.1447 149.3153 39.4753 139.0060 168.4015 18.2123 32.5933 58.2229 34.3065 108.0967 58.0497 27.6177 97.4969 182.1014 87.3403 27.3986 62.4769 55.2812 89.8232 45.9913 64.3168 52.2631 22.3693 114.9805 97.5220 102.4456 67.1301 96.4459 82.3999 24.8199 31.9707 74.3124 0.7366 0.7493 0.7494 0.7496 0.6869 0.7384 0.6441 0.7287 0.7258 0.7486 0.7371 0.6562 0.7314 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12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 14.00307 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 15600.6181 29718.8388 32323.6682 0.99957 0.00789 0.02834 -0.00840 0.99980 0.01817 -0.02819 -0.01840 0.99943 1 0.00555 0.00291 0.00268 0.11568 0.06073 0.05583 13.82 20.04 33.85 34.58 43.96 58.70 67.83 72.45 81.13 93.59 101.33 122.12 134.62 167.71 194.48 225.26 237.18 247.22 254.86 273.78 299.56 311.65 324.31 340.44 349.71 352.14 369.82 383.36 398.35 410.54 427.66 432.22 462.18 519.86 532.67 560.77 582.48 594.84 609.09 635.24 656.06 683.63 687.60 715.33 715.69 734.61 740.22 789.00 810.97 831.78 895.17 917.72 938.73 946.30 963.06 968.89 1062.90 1091.77 1119.01 1139.60 1166.76 1173.21 1179.74 1215.36 1222.72 1240.06 1246.58 1271.31 1291.95 1329.52 1350.83 1364.59 1380.04 1410.66 1422.17 1433.60 1453.04 1460.35 1474.88 1480.05 1482.99 1505.56 1514.00 1541.11 1551.44 1571.79 1572.27 1590.06 1596.67 1607.51 1626.57 1626.85 1643.20 1666.73 1673.72 1689.43 1725.53 1741.40 1747.06 1752.92 1758.82 1789.99 1800.49 1843.70 1857.33 1864.74 1874.75 1875.47 1899.64 1919.25 1930.35 1962.38 1987.26 1993.99 2009.83 2020.67 2055.71 2060.80 2075.96 2091.09 2097.91 2127.87 2135.77 2164.32 2182.84 2189.19 2203.72 2209.74 2223.67 2239.44 2246.88 2247.05 2256.09 2263.63 2269.43 2273.36 2287.21 2316.66 2337.94 2343.09 2344.36 2349.92 2351.87 2355.43 2359.85 2364.02 2364.85 2369.02 2374.01 2376.17 2385.28 2387.43 2404.94 2420.77 2461.59 2470.82 2510.50 2566.29 2606.56 2614.02 2811.30 4562.94 4583.94 4595.53 4606.33 4615.91 4627.70 4630.37 4640.12 4680.75 4681.14 4688.45 4693.79 4694.28 4705.16 4712.83 4713.08 4716.35 4732.34 4743.81 4760.64 4773.12 4799.39 4837.89 4842.39 4856.24 4859.15 4931.60 4949.48 4958.49 4973.33 5001.94 5305.94 5544.25 5573.68 0.611047 0.642703 0.643647 0.542761 -2153.213357 -2153.181702 -2153.180757 -2153.281644 3.383767D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE Cc1ccc(cc1Cl)NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2n4cccc4)C[NH+](CC3)C C20532148 RHF 6-31G(d) (6D,10F) C1 485.214186 |X|Y|Z| 61.522157 72.797081 111.503196 79.337336 24 6 7 16 19 4 1 |36.858105| |12.627045|36.858105| |7.540463|13.698584|36.858105| |4.992847|7.817245|13.775477|36.858105| |4.404122|6.762631|7.974170|13.741840|36.858105| |4.987281|7.852895|6.951808|7.963262|13.748188|36.858105| |7.492929|13.718800|8.074412|6.909728|7.944937|13.784150|36.858105| |6.163714|6.994989|4.777887|4.231903|4.783919|7.106590|10.914461|448.794386| |3.319046|4.502466|5.135200|7.731656|13.455201|7.952486|5.189628|30.184382|53.358707| |2.851933|3.667696|4.316124|6.231785|7.678690|5.242229|3.942700|24.279846|19.016721|36.858105| |2.873880|3.644530|4.498615|6.473398|6.602356|4.578288|3.697724|22.687895|11.431668|15.875967|73.516695| |2.395314|2.953140|3.311244|4.332925|5.212187|4.125190|3.214565|21.128203|11.298142|13.799655|14.986259|53.358707| |2.088797|2.493066|2.807991|3.519762|3.874991|3.177756|2.625689|17.702222|7.122270|7.765438|12.257864|17.721174|36.858105| |2.100897|2.498575|2.874881|3.617879|3.800320|3.058112|2.571518|17.165650|6.713400|7.185848|12.596670|12.430040|17.628126|0.500000| |1.836843|2.147541|2.352276|2.835235|3.136643|2.713324|2.281489|15.919034|5.522703|5.094556|7.953345|10.556223|12.381757|0.247928|36.858105| |1.810907|2.109250|2.299510|2.750651|3.036744|2.651768|2.241641|15.726367|5.275923|4.501188|6.902147|8.466119|7.389279|0.193215|12.410630|36.858105| |1.589636|1.814337|1.946400|2.257448|2.458262|2.218654|1.921932|13.836687|4.060846|3.310575|5.269158|5.720352|4.822769|0.128515|7.377901|12.387617|36.858105| |1.547472|1.752069|1.871425|2.142736|2.308690|2.104685|1.846862|13.386683|3.715085|2.915294|4.674479|4.740451|3.755527|0.105055|4.871552|7.572319|12.439305|36.858105| |1.520359|1.726320|1.819834|2.085726|2.306172|2.135714|1.852372|13.594744|3.777546|3.004128|4.745129|5.173629|4.134500|0.104206|6.091874|7.456112|12.432338|7.569735|36.858105| |2.008505|2.364019|2.650256|3.232837|3.462829|2.907573|2.462168|16.785013|5.902350|6.134054|11.314582|10.491876|12.535297|0.251649|7.549995|4.880288|3.753610|2.998244|3.433674|36.858105| |1.968718|2.300442|2.511492|2.987372|3.270199|2.861243|2.433399|16.938110|5.413910|5.149496|9.169636|8.354699|7.176048|0.152519|5.673035|3.946273|3.239126|2.624031|3.171977|13.133864|36.858105| |1.844234|2.113314|2.300063|2.658435|2.813166|2.504354|2.196837|15.487874|4.403588|3.993268|7.529805|5.939582|5.030447|0.119793|4.249014|3.178993|2.737524|2.274836|2.688264|8.178001|14.136034|36.858105| |1.773157|2.011422|2.232395|2.564947|2.601742|2.278840|2.036435|14.242559|3.985388|3.643492|7.291127|5.222711|4.701215|0.123535|3.926171|3.036670|2.635853|2.224607|2.489423|7.359786|7.420944|11.057039|388.023441| |1.901503|2.199550|2.489279|2.967303|3.027089|2.557895|2.233653|15.292982|4.857169|4.779292|9.682890|7.165424|7.581252|0.205954|5.538750|4.031013|3.286659|2.710371|2.960215|14.128401|8.254507|7.763334|77.805029|36.858105| |1.854822|2.127756|2.440606|2.888776|2.849369|2.392652|2.121245|14.478954|4.468025|4.276619|8.841305|6.144034|6.297322|0.207658|4.901428|3.922039|3.239404|2.751403|2.801747|7.725415|5.193070|4.998675|50.094387|13.657325|53.358707| |1.648171|1.858853|2.100778|2.424313|2.391748|2.058418|1.851241|12.872366|3.687147|3.343224|6.573923|4.883750|4.804799|0.153996|4.321104|3.639699|3.196682|2.743375|2.742423|5.397070|4.078739|4.059199|39.676087|7.712954|18.781610|36.858105| |1.637539|1.832854|2.087245|2.383780|2.298497|1.976460|1.800034|12.490751|3.466992|3.066449|6.075792|4.317052|3.990839|0.132377|3.602860|3.266151|2.905023|2.608127|2.464580|4.156519|3.268932|3.233183|29.845467|5.349051|11.713817|14.108335|36.858105| |1.839623|2.076879|2.422215|2.800220|2.625085|2.206836|2.010722|13.685716|3.917738|3.507390|7.269101|4.696413|4.195234|0.145459|3.531840|3.243374|2.777061|2.532754|2.357837|4.262730|3.306261|3.212085|28.951294|5.352289|11.722762|8.497275|13.309357|36.858105| |2.012653|2.316799|2.731277|3.256723|3.076367|2.526171|2.259773|15.146264|4.697580|4.460819|9.823733|5.880379|5.422777|0.192955|4.134425|3.589808|2.943666|2.609756|2.524632|5.782302|4.193592|3.993363|36.605876|7.719959|18.783850|8.495856|8.484486|14.100256|36.858105| |1.742783|1.965649|2.092754|2.352124|2.493225|2.297486|2.051946|14.826497|3.776836|3.225812|5.963386|4.670860|3.690951|0.090125|3.316888|2.624409|2.340424|1.984904|2.364449|5.045648|7.523868|12.719643|48.177095|4.851755|4.941165|3.148057|2.623505|2.598550|3.081027|36.858105| |1.716993|1.938739|2.025437|2.270336|2.474172|2.333973|2.067059|15.205187|3.784741|3.134972|5.518754|4.666771|3.538771|0.084277|3.328932|2.655882|2.396126|2.023306|2.505122|4.474945|6.738285|7.788663|33.343548|3.966389|4.189758|2.719857|2.306328|2.284898|2.665198|12.703613|53.358707| |1.618680|1.823892|1.907600|2.142706|2.336492|2.199340|1.944675|14.349838|3.616381|3.003911|5.222092|4.616267|3.603730|0.085228|3.553149|2.800862|2.570241|2.138330|2.732578|4.493773|6.535996|7.147794|32.383805|3.963052|4.209427|2.790613|2.342100|2.278628|2.629812|9.359015|25.691051|0.500000| |1.930590|2.222458|2.309094|2.629986|2.967768|2.811328|2.423677|17.686715|4.643171|3.812689|6.457581|5.715169|4.033903|0.093060|3.685186|2.934166|2.569575|2.168231|2.691390|4.895827|7.611232|6.841324|30.123536|3.994929|4.219812|2.667087|2.290361|2.323475|2.750517|7.714961|17.222908|0.258678|36.858105| |1.996702|2.340864|2.482453|2.926233|3.357033|3.056017|2.555986|18.153037|5.620838|4.923835|7.984096|8.201598|5.847959|0.123943|5.197358|3.823642|3.194244|2.602601|3.302543|7.204601|12.617140|7.664193|33.756221|5.066624|5.119168|3.144211|2.645911|2.688083|3.257550|6.362738|10.411205|0.204722|12.510215|36.858105| |1.612716|1.790844|1.841815|2.017315|2.181022|2.107826|1.906571|14.350108|3.237631|2.589027|4.569804|3.745886|2.780561|0.068266|2.656548|2.216631|2.044182|1.766517|2.152804|3.324823|4.436314|5.035026|25.694579|3.066315|3.418091|2.273726|1.977661|1.961618|2.235716|7.691170|17.399516|0.259631|7.652147|4.987542|36.858105| |17.566503|8.843473|5.873675|4.276312|3.942648|4.559502|6.636608|50.628718|4.167035|2.668173|4.787176|3.089284|1.989362|0.055052|1.757020|1.715765|1.515137|1.466465|1.461956|1.941330|1.933320|1.826554|12.391055|1.839127|2.418979|1.581835|1.561797|1.740027|1.907406|1.749508|2.353954|0.045039|1.942510|1.974595|1.641306|0.500000| |17.569048|8.846002|5.873410|4.280520|3.944679|4.560420|6.644969|50.679017|4.176999|2.621967|4.614910|3.057762|1.963311|0.054858|1.752527|1.749749|1.548178|1.521671|1.484146|1.868744|1.828311|1.707725|11.668930|1.765075|2.352494|1.550370|1.544044|1.722108|1.865928|1.616595|2.184369|0.042310|1.799957|1.866370|1.512008|0.302780|0.500000| |17.596370|8.895292|7.293825|4.769571|3.967470|4.170839|5.566385|36.710845|4.180970|2.721923|4.992361|3.113076|2.029729|0.057367|1.780130|1.754418|1.543263|1.505331|1.465780|1.962198|1.906395|1.801696|12.518035|1.884595|2.531732|1.657518|1.662160|1.880909|2.042079|1.696959|2.249819|0.043347|1.836223|1.902767|1.551393|0.301461|0.301488|0.500000| |7.031538|8.958051|17.720169|8.997418|5.677618|4.993101|5.708196|31.549705|5.666486|3.740499|7.193372|4.016114|2.594573|0.074965|2.186986|2.140581|1.830508|1.768885|1.702408|2.479689|2.333319|2.174592|15.350787|2.387141|3.245212|2.069554|2.086403|2.443971|2.712504|1.982397|2.580178|0.049702|2.120093|2.265414|1.732671|0.152787|0.152798|0.225945|0.500000| |4.089003|5.606314|8.932906|17.807457|8.909943|5.657942|4.978230|27.449470|9.547484|6.693117|13.961422|6.209329|3.849956|0.114345|3.015540|2.910025|2.361585|2.233110|2.141399|3.524435|3.134988|2.798041|19.793402|3.305483|4.494925|2.725769|2.710874|3.287969|3.881776|2.421839|3.119883|0.060378|2.613277|2.955119|2.015307|0.099381|0.099463|0.113921|0.217441|0.500000| |4.081609|5.624257|4.993750|5.648259|8.888265|17.725994|8.963135|54.975716|9.936190|4.916538|7.330958|5.654792|3.159127|0.082436|2.768818|2.710703|2.283626|2.157562|2.240480|2.876131|2.888959|2.501642|15.842907|2.487465|3.126052|1.991521|1.893735|2.079131|2.371865|2.318365|3.284149|0.063400|2.957972|3.206525|2.185163|0.107770|0.107736|0.096052|0.108219|0.124033|0.500000| |3.076122|4.046683|4.314650|5.792606|9.305007|7.526338|4.890193|30.380816|26.070731|9.403968|10.848332|10.769847|4.941737|0.125058|4.119330|4.045101|3.133898|2.873549|2.978381|4.020403|3.790861|3.060133|19.318885|3.265505|4.064463|2.523977|2.361615|2.604521|3.056050|2.669202|3.747066|0.073860|3.418900|4.153711|2.367992|0.079612|0.080917|0.078124|0.098846|0.144955|0.225795|0.500000| |2.338025|2.868557|3.143308|4.024740|4.970931|4.109416|3.181301|21.293560|10.715170|9.437790|10.985933|26.032011|9.171299|0.200480|7.645933|7.165498|4.687350|3.916309|4.267618|5.770137|4.928499|3.675506|23.122926|4.253240|5.177073|3.185778|2.870901|3.073994|3.668874|3.020759|4.228284|0.086627|3.783361|5.213619|2.553205|0.061323|0.061820|0.061552|0.077454|0.114299|0.118817|0.245263|0.500000| |1.800826|2.099625|2.258485|2.690201|3.039679|2.702005|2.264464|16.053168|5.325296|4.703244|7.204950|9.656924|8.818564|0.174466|17.534009|8.778612|6.557671|4.414132|6.611293|6.781744|6.032331|4.396665|26.798028|4.869827|5.588943|3.657202|3.068265|3.003157|3.489895|3.532394|5.073422|0.113049|4.220723|6.213336|2.933518|0.048244|0.047805|0.048110|0.057922|0.077633|0.078267|0.113918|0.202556|0.500000| |1.698311|1.957853|2.145906|2.540513|2.733695|2.386893|2.051512|14.438464|4.606162|4.187763|6.976518|7.700164|8.960918|0.214261|17.556934|8.883766|6.979430|4.618327|5.696172|7.228293|5.402001|4.322750|30.007634|5.977483|7.398085|5.106093|4.057073|3.755826|4.292363|3.349589|4.460534|0.098887|3.441494|4.632143|2.621940|0.045285|0.044995|0.046071|0.056217|0.075676|0.067069|0.093709|0.149354|0.303668|0.500000| |1.847597|2.151163|2.383465|2.864422|3.075514|2.634602|2.248091|15.579156|5.254274|4.532811|7.185206|7.894598|7.037755|0.218466|8.889630|17.525236|8.873705|7.141683|5.479521|4.669435|3.639683|3.010854|21.336820|4.071128|5.748300|3.946781|3.664669|3.700738|4.016960|2.474716|3.326712|0.070651|2.669703|3.393818|2.058754|0.048248|0.049551|0.050138|0.062226|0.086064|0.073240|0.108166|0.175340|0.173726|0.208635|0.500000| |1.922148|2.260078|2.440179|2.936171|3.343116|2.942592|2.444106|17.143980|5.956751|4.815420|6.998985|9.098567|6.529831|0.165748|8.754757|17.482110|8.888834|6.933169|6.849332|4.392572|3.724831|2.983690|19.755553|3.573431|4.654506|3.113416|2.848113|2.906578|3.235620|2.513860|3.525003|0.074973|2.940713|3.805610|2.183464|0.050420|0.051853|0.051246|0.062219|0.084570|0.084886|0.133008|0.248116|0.212874|0.173376|0.303850|0.500000| |1.509500|1.710695|1.844056|2.125255|2.273372|2.045899|1.792289|12.906333|3.693553|3.062921|5.033690|5.171531|4.609499|0.126137|6.883556|8.918449|17.498278|8.930769|8.914107|3.771408|3.217232|2.782146|19.578669|3.430953|4.698112|3.549670|3.192417|2.942810|3.063005|2.366068|3.244397|0.071536|2.491280|3.063605|2.031874|0.040068|0.040703|0.040966|0.048631|0.062346|0.057941|0.077500|0.111848|0.164524|0.214108|0.213653|0.174810|0.500000| |1.609681|1.828216|1.936770|2.215785|2.420266|2.228908|1.946223|14.169562|3.900695|2.970731|4.671138|4.791793|3.589121|0.099021|4.473310|6.823823|8.764574|17.525480|6.837198|2.849771|2.535098|2.184971|14.963894|2.540202|3.464763|2.484521|2.372128|2.353974|2.451773|1.923726|2.695585|0.057716|2.154855|2.574308|1.739317|0.042270|0.044218|0.043234|0.050472|0.063356|0.064050|0.085566|0.113652|0.116485|0.112358|0.174649|0.205205|0.173597|0.500000| |1.423968|1.595136|1.691494|1.909874|2.044077|1.887944|1.676949|12.306494|3.226033|2.511956|4.087295|4.004917|3.171636|0.088239|4.025621|5.492748|8.776010|17.559550|6.927264|2.646228|2.366076|2.089933|14.576499|2.433847|3.362253|2.509291|2.395301|2.293171|2.333014|1.851072|2.576039|0.055826|2.001000|2.354509|1.671197|0.037648|0.038997|0.038537|0.044646|0.055050|0.053843|0.069120|0.090106|0.104947|0.110283|0.144223|0.141142|0.213742|0.301853|0.500000| |1.570661|1.776599|1.917542|2.197840|2.327395|2.096377|1.850630|13.291268|3.711188|2.932519|4.778883|4.648636|3.730027|0.109311|4.577944|6.930325|8.754193|17.552155|5.488555|2.968409|2.543697|2.224991|15.828498|2.743507|3.909434|2.892013|2.818908|2.751114|2.779503|1.928662|2.633244|0.056323|2.064013|2.466171|1.691019|0.041125|0.042875|0.042713|0.050716|0.064417|0.058866|0.078261|0.104482|0.110415|0.122913|0.216206|0.171196|0.213321|0.301389|0.301884|0.500000| |1.515357|1.721479|1.814772|2.081783|2.305457|2.134453|1.848655|13.568847|3.785368|3.063994|4.872325|5.355812|4.396463|0.106755|6.691567|6.682788|8.705390|5.480443|17.549158|3.799328|3.601723|3.028933|19.497803|3.225320|4.029392|2.883609|2.526176|2.394625|2.599162|2.659024|3.887192|0.088470|3.041528|3.787178|2.415993|0.040705|0.040859|0.040571|0.047136|0.059379|0.062288|0.082326|0.118973|0.225729|0.179683|0.137643|0.165728|0.213562|0.138955|0.141737|0.122312|0.500000| |1.404115|1.577267|1.654355|1.870513|2.044690|1.913165|1.683388|12.487612|3.270762|2.568870|4.132502|4.256953|3.384629|0.087587|4.625085|5.451962|8.790202|7.003419|17.561854|2.923612|2.737729|2.390124|15.958576|2.601688|3.400808|2.498870|2.275219|2.155681|2.266367|2.141864|3.081788|0.068666|2.386864|2.830963|1.983166|0.037582|0.038219|0.037701|0.043270|0.053265|0.055600|0.071127|0.095572|0.135901|0.126961|0.123250|0.140795|0.212058|0.172201|0.211212|0.142159|0.302898|0.500000| |1.582501|1.803779|1.884016|2.159111|2.428480|2.277106|1.959949|14.473058|3.999212|3.088659|4.771077|5.305798|3.962470|0.098894|5.465802|6.790215|8.765187|6.784689|17.515282|3.256536|3.066387|2.577050|16.683730|2.766933|3.536894|2.492648|2.264806|2.213110|2.387509|2.293057|3.354062|0.073785|2.712979|3.311603|2.134639|0.042246|0.043092|0.042089|0.048553|0.060788|0.067312|0.089893|0.126621|0.170503|0.132818|0.140307|0.204232|0.173467|0.200495|0.168016|0.138974|0.301004|0.302026|0.500000| |1.538896|1.726333|1.922640|2.198820|2.202802|1.927085|1.734530|12.219159|3.401954|3.033628|5.791374|4.548313|4.455327|0.133638|4.306877|3.565582|3.254333|2.742449|2.846269|5.117431|4.075421|4.141567|39.861868|6.931392|12.150527|17.805931|8.634699|5.776997|5.860833|3.253723|3.842469|0.082138|2.700904|3.164009|2.355780|0.041259|0.040369|0.042786|0.052351|0.067399|0.052374|0.065770|0.083712|0.103843|0.148616|0.103760|0.083986|0.102875|0.068347|0.070707|0.078943|0.084644|0.072656|0.070739|0.500000| |1.515532|1.678168|1.892801|2.128526|2.053938|1.791628|1.646572|11.550994|3.064210|2.639162|5.123595|3.722111|3.340642|0.107672|3.150687|2.947598|2.719937|2.493744|2.318324|3.421006|2.803009|2.792549|24.983732|4.183423|7.979719|8.821710|17.791603|8.493835|5.808885|2.336653|2.831971|0.058993|2.052155|2.334516|1.812074|0.040197|0.039926|0.042808|0.052789|0.066435|0.047860|0.058630|0.070238|0.075810|0.098651|0.091452|0.071764|0.083896|0.062672|0.064664|0.075304|0.065517|0.060444|0.058986|0.197341|0.500000| |1.860958|2.083260|2.445451|2.784327|2.552803|2.153333|1.988807|13.522508|3.717200|3.224639|6.645828|4.208230|3.572155|0.121478|3.060557|2.914617|2.528044|2.371678|2.156200|3.533486|2.847408|2.766734|24.005733|4.185769|7.984045|5.815228|8.498352|17.792588|8.821874|2.303439|2.791489|0.056552|2.097534|2.389560|1.788774|0.048603|0.048480|0.053371|0.069686|0.091423|0.055895|0.068555|0.077902|0.073410|0.088477|0.092784|0.074066|0.073556|0.061830|0.059940|0.072179|0.060130|0.055217|0.056773|0.122793|0.195153|0.500000| |2.264023|2.650544|3.208328|3.932555|3.617657|2.880502|2.561050|16.772609|5.471527|5.342825|13.080909|6.475374|5.527661|0.192021|3.987177|3.484800|2.806377|2.509440|2.440797|5.803013|4.308888|4.021472|34.622680|6.965466|12.189652|5.867824|5.770269|8.611466|17.822568|3.123797|3.696363|0.073130|2.875106|3.398247|2.281052|0.059294|0.057653|0.063909|0.088365|0.135508|0.073790|0.095469|0.109425|0.095292|0.109376|0.107077|0.090228|0.079009|0.066781|0.062011|0.073695|0.069601|0.060553|0.065309|0.126107|0.122647|0.196664|0.500000| |1.823651|2.049028|2.175670|2.418570|2.539814|2.355683|2.127085|15.370428|3.752194|3.153598|5.934193|4.377655|3.339670|0.083252|2.938161|2.391318|2.125763|1.835550|2.133263|4.398808|6.066641|8.822797|41.774170|4.304535|4.556894|2.883794|2.467193|2.495597|2.955705|17.590372|12.425648|0.182475|6.880349|5.397735|7.268008|0.051256|0.046647|0.049372|0.057376|0.068757|0.065519|0.072894|0.078652|0.085651|0.081223|0.063405|0.064449|0.059295|0.049783|0.047551|0.049846|0.065497|0.053933|0.058067|0.080946|0.061192|0.062267|0.085051|0.500000| |1.593824|1.776250|1.887239|2.097146|2.196887|2.035546|1.840557|13.422847|3.295381|2.782574|5.153299|4.037183|3.252156|0.081254|3.022491|2.430841|2.218375|1.890215|2.245896|4.303572|5.726513|8.845540|45.402742|4.375135|4.649310|3.086115|2.570890|2.489967|2.878394|17.610711|12.379710|0.229345|5.628938|4.898541|7.040355|0.044437|0.041271|0.043331|0.050130|0.060206|0.056960|0.064989|0.073827|0.088636|0.087081|0.063985|0.064054|0.063148|0.050534|0.049458|0.051085|0.070211|0.057282|0.059888|0.090763|0.064430|0.061381|0.079275|0.301533|0.500000| |2.088080|2.411361|2.500844|2.832397|3.180914|3.026197|2.624615|19.023819|4.833592|3.919459|6.808186|5.510304|3.776640|0.089468|3.309248|2.701849|2.347765|2.019650|2.411017|4.567868|6.651128|6.356961|29.506696|3.851302|4.126173|2.574872|2.243497|2.318013|2.760864|7.287264|12.445874|0.182372|17.617499|8.779569|6.889112|0.058839|0.053505|0.055064|0.063587|0.077518|0.087451|0.096695|0.099915|0.101214|0.085703|0.069728|0.075781|0.063205|0.056015|0.051705|0.054003|0.073998|0.059780|0.067816|0.071178|0.055712|0.058582|0.081849|0.213734|0.145834|0.500000| |1.866427|2.133162|2.176231|2.446393|2.790943|2.722096|2.357383|17.629068|4.323765|3.402564|5.633001|5.114788|3.527949|0.082413|3.367021|2.774194|2.480431|2.112157|2.665104|3.998103|5.539120|4.989717|24.460995|3.317599|3.648954|2.359548|2.057189|2.079967|2.413964|5.631127|12.351804|0.217779|17.629376|8.783509|7.339762|0.052381|0.048742|0.048977|0.055328|0.066597|0.081306|0.090919|0.098123|0.109040|0.086792|0.069481|0.078485|0.066140|0.058860|0.054521|0.055322|0.083551|0.066124|0.075821|0.066639|0.051818|0.052713|0.069811|0.144420|0.126770|0.300734|0.500000| |1.843809|2.141098|2.253405|2.630814|3.013394|2.781527|2.342447|16.913186|5.051111|4.299160|6.833629|7.539997|5.605810|0.118515|5.735329|4.160082|3.570211|2.829164|3.862042|6.265901|8.863984|6.105516|29.703941|4.543449|4.775039|3.046405|2.561687|2.548004|3.009998|5.295436|9.043499|0.205339|8.862015|17.524830|4.606563|0.050498|0.048404|0.048820|0.057379|0.073784|0.082043|0.107073|0.143075|0.213353|0.141623|0.098609|0.114323|0.094480|0.077464|0.071376|0.072919|0.128437|0.090673|0.107238|0.087012|0.063539|0.063015|0.085142|0.122594|0.122804|0.173574|0.219696|0.500000| |2.212450|2.649259|2.802918|3.374828|4.050748|3.666125|2.956695|20.662119|7.104467|6.129380|9.212398|10.242937|6.140583|0.129433|5.174746|3.980825|3.220714|2.669514|3.290148|6.595221|8.880773|5.826708|29.145044|4.618357|4.883932|2.968980|2.562070|2.667225|3.243599|4.928494|7.624704|0.146505|8.984592|17.637531|4.142066|0.060514|0.057333|0.057962|0.069658|0.092987|0.108613|0.148516|0.179314|0.167632|0.121141|0.098421|0.114994|0.083628|0.074754|0.066266|0.070418|0.101489|0.077684|0.094327|0.081056|0.062778|0.066678|0.096620|0.125918|0.109343|0.219295|0.207210|0.304976|0.500000| |1.499340|1.650980|1.704511|1.856232|1.978991|1.904342|1.739059|13.102616|2.920379|2.343964|4.185360|3.385766|2.568936|0.064029|2.479830|2.082297|1.945275|1.686879|2.040512|3.078173|3.955658|4.678614|25.388348|2.937344|3.320351|2.249363|1.955784|1.917152|2.159832|7.159750|12.308336|0.221682|5.578935|4.152802|17.644690|0.042324|0.039128|0.040326|0.044947|0.051900|0.054407|0.059069|0.064255|0.075064|0.069328|0.054088|0.056389|0.054334|0.045824|0.044628|0.045004|0.063546|0.052746|0.055616|0.065457|0.050115|0.048546|0.060474|0.184334|0.216849|0.142612|0.146716|0.109486|0.096807|0.500000| |1.568217|1.737911|1.769660|1.932123|2.110846|2.067672|1.868337|14.253565|3.139632|2.467235|4.271727|3.606373|2.639460|0.064616|2.582058|2.184677|2.037669|1.765388|2.185964|3.044942|3.951158|4.188529|22.117077|2.762623|3.130458|2.101645|1.842314|1.825259|2.062286|5.602024|12.317344|0.225379|6.990785|4.706018|17.648978|0.044358|0.041109|0.041689|0.046054|0.053201|0.060319|0.064800|0.069605|0.080447|0.070198|0.055855|0.060316|0.055842|0.048555|0.046584|0.046570|0.068288|0.056154|0.060742|0.060561|0.047182|0.046481|0.058400|0.145621|0.145087|0.166829|0.221766|0.127243|0.111192|0.299212|0.500000| 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