Version2.3 2021-03-31T08:21:30Z 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 Cc1nc(cs1)[C@H](C)n2cnc3c(c2=O)c4c(s3)C[C@@H](CC4)[NH2+]CCc5cccc(c5)F C12099460 RHF 6-31G(d) (6D,7F) Cc1nc(cs1)[C@H](C)n2cnc3c(c2=O)c4c(s3)C[C@@H](CC4)[NH2+]CCc5cccc(c5)F C01[X(C24H26F1N4O1S2)] 168 C1 540 Fc1cccc(c1)CC[NH2+][C@@H]1CCc2c(C1)sc1c2c(=O)n(cn1)[C@H](c1csc(n1)C)C Fc1cccc(c1)CC[NH2+][C@@H]1CCc2c(C1)sc1c2c(=O)n(cn1)[C@H](c1csc(n1)C)C C[C@H](N1C=Nc2sc3C[C@@H](CCc3c2C1=O)[NH2+]CCc4cccc(F)c4)c5csc(C)n5 InChIKey=HYBIGEMFUFNQAY-KBXCAEBGSA-O InChI=1S/C24H25FN4OS2/c1-14(20-12-31-15(2)28-20)29-13-27-23-22(24(29)30)19-7-6-18(11-21(19)32-23)26-9-8-16-4-3-5-17(25)10-16/h3-5,10,12-14,18,26H,6-9,11H2,1-2H3/p+1/t14-,18+/m0/s1 InChI=1/C24H25FN4OS2/c1-14(20-12-31-15(2)28-20)29-13-27-23-22(24(29)30)19-7-6-18(11-21(19)32-23)26-9-8-16-4-3-5-17(25)10-16/h3-5,10,12-14,18,26H,6-9,11H2,1-2H3/p+1/t14-,18+/m0/s1/fC24H26FN4OS2/h26H/q+1 Cc1nc(cs1)[C@H](C)n2cnc3c(c2=O)c4c(s3)C[C@@H](CC4)[NH2+]CCc5cccc(c5)F C01[X(C24H26F1N4O1S2)] 168 C01 540 Fc1cccc(c1)CC[NH2+][C@@H]1CCc2c(C1)sc1c2c(=O)n(cn1)[C@H](c1csc(n1)C)C C[C]1SC=[C]([N]=1)[C@@H](N1C=[N][C]2[C]([C]3=C(S2)C[C@@H](CC3)[NH2]CC[C]2[CH][CH][CH][C]([CH]2)F)C1=O)C C[C@H](N1C=N[C]2SC3=C(CC[C@H](C3)[NH2]CC[C]4[CH][CH][CH][C](F)[CH]4)[C]2C1=O)c5csc(C)n5 InChIKey=SXYLZTIPPFEOIO-KBXCAEBGSA-N InChI=1S/C24H26FN4OS2/c1-14(20-12-31-15(2)28-20)29-13-27-23-22(24(29)30)19-7-6-18(11-21(19)32-23)26-9-8-16-4-3-5-17(25)10-16/h3-5,10,12-14,18H,6-9,11,26H2,1-2H3/t14-,18+/m0/s1 InChI=1/C24H26FN4OS2/c1-14(20-12-31-15(2)28-20)29-13-27-23-22(24(29)30)19-7-6-18(11-21(19)32-23)26-9-8-16-4-3-5-17(25)10-16/h3-5,10,12-14,18H,6-9,11,26H2,1-2H3/t14-,18+/m0/s1 3270.7471774538 -2110.9293882 1-A 32169.9033 123 417 540 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.06657 -92.04158 -26.39883 -20.61420 -15.85673 -15.71137 -15.64846 -15.63592 -11.44987 -11.44751 -11.44734 -11.42173 -11.41651 -11.40406 -11.38759 -11.38712 -11.38242 -11.37549 -11.36927 -11.36547 -11.36027 -11.35467 -11.34677 -11.34233 -11.34052 -11.34005 -11.33856 -11.33179 -11.33036 -11.32678 -11.29895 -11.29442 -9.07669 -9.05303 -6.75912 -6.75825 -6.75642 -6.73544 -6.73448 -6.73284 -1.71878 -1.49140 -1.48911 -1.41010 -1.36273 -1.32165 -1.28953 -1.27731 -1.23602 -1.20150 -1.16743 -1.15470 -1.13289 -1.13075 -1.12314 -1.10769 -1.09837 -1.08154 -1.03750 -1.02150 -1.01424 -0.98170 -0.97069 -0.95731 -0.94715 -0.93950 -0.92711 -0.90847 -0.86875 -0.84602 -0.83394 -0.83301 -0.82235 -0.81666 -0.80537 -0.80209 -0.79046 -0.78631 -0.77959 -0.76617 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1562.9159 1564.6402 1570.0633 1571.6514 1586.2287 1593.4415 1618.2706 1619.6766 1621.0308 1623.6657 1633.2987 1634.7166 1636.6298 1646.3970 1647.6430 1652.3430 1669.7546 1690.3435 1718.6946 1772.2069 1779.2699 1800.5429 1806.1266 1816.3815 1823.4733 1925.2051 3173.6505 3199.7985 3210.7666 3222.9658 3224.5964 3226.7236 3243.0994 3251.3573 3252.1928 3283.7455 3284.2418 3291.9982 3294.2661 3304.4456 3309.0037 3325.2858 3359.5789 3361.2521 3363.8258 3379.6621 3392.3951 3412.3097 3453.0154 3464.2772 3662.2796 3725.8391 6.9684 6.6466 6.8499 5.6975 7.4478 5.1590 4.8631 3.3968 1.1836 5.2326 3.2838 3.8931 2.9871 3.8269 3.3644 3.3216 5.0273 3.3906 3.2867 4.5019 3.0846 1.4396 4.9524 2.4138 4.0833 4.7786 3.2089 4.1344 4.0796 4.4527 5.6429 5.4002 4.6579 5.6350 3.9737 2.6294 4.1284 3.1801 4.9471 4.2392 8.4135 5.8486 4.4412 5.2990 5.6362 3.8253 5.2082 5.1299 4.9979 4.8061 5.7630 9.6992 4.9432 2.5321 5.2178 4.7904 3.0841 1.1894 2.8264 3.4490 3.3789 1.4418 1.5695 3.4102 1.5206 2.9973 1.4869 3.2070 1.7644 1.4255 3.7527 2.9308 3.1300 3.9109 2.1605 4.3048 5.9930 2.2172 2.7975 1.3576 1.5039 2.0646 2.3313 2.8167 1.4511 1.8084 1.7850 1.9012 2.8889 2.1600 1.9697 2.5082 1.5196 1.3943 1.3629 1.3468 4.1778 3.2156 1.6760 1.6606 2.2292 1.7797 2.0310 1.6855 1.7133 1.2497 1.2796 3.9571 1.4449 1.3947 1.7642 1.5544 1.3986 1.3773 1.4339 1.5328 1.2659 1.7280 1.3276 1.3949 1.7365 1.9775 3.0484 1.0866 1.0444 1.1005 1.0487 1.1006 1.0962 1.0725 1.0926 1.1127 2.5669 9.1433 6.4951 7.5916 6.9032 5.9741 6.3305 5.8123 1.0795 12.0713 1.0719 1.0608 1.0608 1.0373 1.0365 1.0839 1.0935 1.0988 1.1003 1.1029 1.0828 1.0685 1.1040 1.1036 1.0948 1.1031 1.1082 1.0936 1.0875 1.0933 1.0933 1.0969 1.0972 1.0960 1.0557 1.0953 0.0004 0.0005 0.0010 0.0017 0.0055 0.0051 0.0074 0.0098 0.0036 0.0270 0.0191 0.0265 0.0287 0.0519 0.0503 0.0564 0.1081 0.0921 0.0987 0.1668 0.1180 0.0587 0.2099 0.1054 0.1949 0.2588 0.1965 0.2949 0.3118 0.3748 0.4812 0.5027 0.5428 0.6868 0.5524 0.3667 0.5997 0.4938 0.8030 0.7564 1.5815 1.1685 0.9173 1.1559 1.2814 0.9033 1.2649 1.4064 1.3925 1.3639 1.7789 3.0924 1.6670 0.8818 1.9056 1.8810 1.2198 0.4823 1.2310 1.5847 1.5755 0.6793 0.7484 1.6835 0.7757 1.5651 0.8502 1.8913 1.0698 0.8766 2.3226 1.8749 2.0331 2.6190 1.4704 2.9771 4.2140 1.6001 2.0490 0.9991 1.1092 1.5414 1.7903 2.1944 1.1501 1.4980 1.5044 1.6118 2.4716 1.8991 1.7932 2.3462 1.4475 1.3405 1.3145 1.3215 4.2201 3.2820 1.7591 1.8024 2.5039 2.0715 2.3802 2.0021 2.0629 1.5223 1.5913 5.0053 1.8617 1.8088 2.3310 2.0704 1.8784 1.9125 2.0269 2.1741 1.8219 2.4924 1.9281 2.0301 2.5743 2.9583 4.7035 1.6795 1.6169 1.7094 1.6483 1.7329 1.7300 1.7129 1.7476 1.7898 4.2167 15.3922 11.3040 14.0479 12.8760 11.4112 12.1669 11.2982 2.1149 26.3608 6.3608 6.3991 6.4430 6.3484 6.3501 6.6493 6.7764 6.8435 6.8568 7.0072 6.8812 6.8227 7.0588 7.1001 7.0630 7.1868 7.3697 7.2797 7.2501 7.3578 7.4134 7.5250 7.7081 7.7498 8.3422 8.9582 0.0820 0.7309 1.3360 0.4095 1.1081 0.9797 0.8614 3.4058 1.1794 4.3415 1.9009 2.1683 2.5424 0.8398 2.7031 2.3280 4.5265 1.0520 1.8479 7.4867 1.5039 0.5183 0.5315 2.8990 1.8266 10.6651 0.3986 0.3098 5.4875 0.4301 7.7925 1.0495 1.1893 12.6646 2.4515 1.9516 6.7864 3.5046 1.1404 13.5808 3.4549 3.0448 5.5332 4.7734 6.1948 1.1146 19.7293 13.5935 1.3271 4.9961 11.4028 0.0227 8.1487 11.8962 9.5854 10.9796 7.7716 5.9446 3.2458 32.3653 17.7997 63.1886 20.4453 4.7549 8.6389 1.6948 30.3764 9.6789 6.8752 4.5831 3.6317 33.6702 60.8511 98.6024 15.0504 41.3299 0.6678 11.5900 3.4882 0.1024 2.9704 7.6080 6.8701 18.8280 0.1699 4.5668 15.4998 17.8236 56.4312 23.8378 9.9104 42.6402 20.1334 29.5829 6.7531 2.1222 36.3822 27.6077 1.9927 27.0128 146.0385 10.8950 83.7695 17.3528 26.9354 7.7794 2.0143 10.6308 26.6867 2.9102 3.1155 20.7837 1.9291 18.0890 9.7803 55.1249 3.2166 26.9809 47.5506 1.6300 46.7862 138.4863 28.9494 17.5203 10.0550 13.4261 9.6911 0.7610 5.9652 10.7351 8.7141 2.4859 58.8629 304.9739 75.6221 24.9421 192.3680 63.4375 394.4339 57.0552 53.5051 578.2011 43.8597 32.7401 22.7993 13.7829 17.4818 4.5059 28.2814 15.3951 12.1511 9.6153 6.1467 8.4240 31.1273 15.3128 3.0298 5.9160 1.0340 10.6514 5.1103 4.2014 7.1169 1.0365 3.7672 0.5741 42.8835 49.2022 0.2514 0.3257 4.3870 3.0531 4.0140 2.4352 1.0750 0.3004 0.4481 1.1349 0.3899 0.6487 1.0924 2.4730 0.4560 0.3873 2.1796 0.3736 0.2986 0.4834 0.8859 0.2444 3.3167 0.5140 1.4163 1.1152 0.1719 0.5332 1.5484 1.0118 0.7675 2.8506 8.2357 0.6114 0.0671 2.0980 1.9520 0.5540 1.5072 3.2449 4.5288 1.6934 1.8726 2.4305 4.0264 5.3800 6.9880 5.3991 1.0834 2.9225 16.3795 3.0361 3.4787 1.2303 3.2801 12.0903 1.9764 0.2643 0.7510 4.0562 1.9653 1.1149 2.0691 3.3307 2.7053 3.6391 1.2429 1.7971 2.6940 1.4193 5.9730 6.5927 8.7154 22.2852 4.1818 3.8596 25.6394 19.4070 13.4880 1.1533 2.3225 10.8160 15.6939 13.5693 0.4763 3.5827 2.9584 2.1901 11.9213 11.1501 2.0755 5.0926 3.5578 5.0576 8.2529 3.6271 26.3203 4.4080 1.4231 10.2659 4.1381 21.7149 8.3222 19.4460 5.8558 13.4770 4.9612 15.5407 8.7120 18.5144 11.4437 6.7924 19.4868 1.0097 0.9449 8.3412 7.2997 7.7273 3.0414 1.6305 2.0818 4.5407 0.2575 24.2878 16.4483 19.9733 16.2387 0.8814 34.4355 26.6205 1.5777 17.5559 1.3390 568.6287 27.0324 12.6775 9.4757 9.5984 87.9758 30.5477 8.0076 7.5470 135.6669 88.1860 76.2934 143.0911 134.3685 72.1607 78.2576 59.0004 65.4947 91.2155 8.7768 65.7051 102.6509 43.6038 63.1624 56.8392 29.1944 37.7269 20.6803 53.9382 95.2310 169.5858 62.1965 64.4736 36.3971 23.2068 0.6653 0.7406 0.7491 0.7268 0.7262 0.7444 0.7493 0.7457 0.7421 0.5496 0.7498 0.7440 0.6864 0.7276 0.7401 0.5129 0.0851 0.4803 0.6740 0.5335 0.6174 0.7441 0.7473 0.7134 0.5723 0.4780 0.4298 0.1946 0.0526 0.5104 0.7405 0.7349 0.4283 0.7442 0.7092 0.1667 0.5508 0.2835 0.6058 0.7297 0.5563 0.7278 0.5198 0.5090 0.6940 0.2387 0.0656 0.4911 0.7092 0.3126 0.1093 0.7027 0.2610 0.3640 0.7278 0.2195 0.7381 0.7059 0.4980 0.1645 0.2637 0.7450 0.3499 0.5757 0.3189 0.1850 0.3197 0.7044 0.3291 0.4447 0.1365 0.6434 0.7083 0.3316 0.7300 0.3225 0.0967 0.2967 0.2335 0.3673 0.5731 0.4860 0.4484 0.2576 0.7338 0.3329 0.4638 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 12.00000 31.97207 12.00000 1.00783 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 31.97207 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 4711.6185 57163.5111 58665.9237 0.99997 -0.00763 -0.00102 0.00762 0.99996 -0.00347 0.00104 0.00346 0.99999 1 0.01838 0.00152 0.00148 0.38304 0.03157 0.03076 13.88 16.46 22.96 32.39 50.86 58.96 73.19 100.43 103.69 134.64 142.92 154.51 183.63 218.24 229.25 244.33 274.90 308.93 324.80 360.80 366.57 378.35 385.85 391.69 409.49 436.25 463.79 500.63 518.24 543.80 547.37 571.90 639.86 654.40 698.89 700.01 714.38 738.60 755.17 791.79 812.67 837.81 851.89 875.45 893.75 910.87 923.75 981.45 989.39 998.52 1041.40 1058.40 1088.53 1106.14 1132.77 1174.58 1178.82 1193.56 1237.01 1270.57 1279.94 1286.60 1294.37 1317.02 1338.75 1354.49 1417.35 1439.48 1459.56 1469.88 1474.65 1499.21 1510.70 1533.90 1546.33 1558.79 1571.78 1592.36 1604.19 1608.03 1609.75 1619.60 1642.64 1654.45 1668.72 1705.98 1720.80 1725.84 1733.78 1757.61 1788.48 1812.88 1829.37 1837.91 1840.85 1856.76 1883.89 1893.66 1920.33 1952.82 1986.54 2022.23 2029.18 2042.95 2056.80 2068.75 2090.28 2108.11 2127.66 2134.59 2154.59 2163.28 2172.31 2208.79 2228.56 2232.38 2248.69 2251.17 2258.97 2261.26 2282.23 2292.61 2328.33 2330.35 2332.30 2336.09 2349.95 2351.99 2354.75 2368.80 2370.59 2377.35 2402.40 2432.03 2472.82 2549.81 2559.97 2590.58 2598.61 2613.37 2623.57 2769.94 4566.18 4603.80 4619.58 4637.13 4639.48 4642.54 4666.10 4677.98 4679.18 4724.58 4725.29 4736.45 4739.71 4754.36 4760.92 4784.34 4833.68 4836.09 4839.80 4862.58 4880.90 4909.55 4968.12 4984.32 5269.20 5360.65 0.507744 0.535321 0.536265 0.443659 -2110.421644 -2110.394068 -2110.393123 -2110.485729 3.106020D-04 MUNgauss RevisionA2.1 retrievium 31-Mar-2021 DUDE Cc1nc(cs1)[C@H](C)n2cnc3c(c2=O)c4c(s3)C[C@@H](CC4)[NH2+]CCc5cccc(c5)F C12099460 RHF 6-31G(d) (6D,10F) C1 469.153208 |X|Y|Z| 42.915630 32.536423 171.083050 62.048425 28 6 7 16 22 4 2 |36.858105| |12.707301|36.858105| |7.762475|14.906246|53.358707| |5.225278|8.646594|18.775879|36.858105| |4.876663|7.839294|11.277648|14.216816|36.858105| |6.722334|10.956871|10.196696|7.563018|11.027223|388.023441| |3.855998|5.287579|10.401304|12.641524|7.527966|33.902362|36.858105| |3.318864|4.421645|7.717375|9.046766|7.276884|31.515601|17.721907|0.500000| |3.557250|4.516259|8.492295|7.530717|5.272396|27.753087|12.456555|0.248096|36.858105| |3.522342|4.503995|8.395439|7.711624|5.444642|28.135034|12.804954|0.259589|7.646541|53.358707| |3.732509|4.497582|8.388506|6.186284|4.460723|25.859804|7.724152|0.160832|6.318858|19.097540|36.858105| |3.226762|3.654535|6.198231|4.462420|3.543440|21.685755|5.171229|0.120545|4.517656|11.015398|14.867658|53.358707| |2.756818|3.135651|5.101670|3.914211|3.286458|19.824997|4.609611|0.116246|3.905131|9.797835|8.601233|19.166935|36.858105| |2.630271|3.082783|4.990722|4.123465|3.556719|20.481284|5.079518|0.137417|4.055026|10.944887|7.104644|10.724920|13.983305|36.858105| |2.909548|3.588725|6.036718|5.508517|4.598032|24.272899|7.701505|0.218829|5.340757|18.555115|7.909573|9.075168|7.876833|13.166909|36.858105| |2.680174|3.318338|5.373764|5.125327|4.664116|23.880744|6.925601|0.241197|4.905477|11.385874|5.431523|6.387619|5.375540|8.090277|15.832739|73.516695| |2.229325|2.547260|3.949942|3.220597|2.934990|17.460923|3.767690|0.106534|3.163609|6.889394|4.639440|7.115591|8.137022|13.197395|7.329690|11.162562|36.858105| |2.091926|2.323279|3.551050|2.780143|2.533745|15.663928|3.146992|0.086480|2.751278|5.587903|4.121899|6.817937|7.707387|8.263436|5.144530|7.832282|14.182583|36.858105| |2.301057|2.509643|3.880792|2.907097|2.565565|16.195399|3.249581|0.084936|2.903072|5.926870|4.950927|9.575578|10.997206|7.406225|4.825502|6.875187|7.358319|10.887771|388.023441| |1.811197|1.978020|2.955025|2.295168|2.143096|13.539257|2.538065|0.070641|2.273174|4.236637|3.112152|4.938359|4.826040|5.065891|3.737957|6.103921|7.519669|12.666274|47.700288|36.858105| |1.688120|1.858755|2.765507|2.190853|2.079623|12.997141|2.441370|0.069823|2.191451|3.952792|2.782212|4.192718|3.939002|4.489837|3.570296|6.195221|6.754758|7.733547|32.948350|12.460035|36.858105| |1.641431|1.808834|2.710021|2.152299|2.027974|12.591546|2.439715|0.070013|2.230375|3.924799|2.752784|4.114241|3.812037|4.339776|3.524814|6.152252|6.190691|6.712893|31.013996|8.825811|17.600380|0.500000| |1.789044|2.002473|2.972648|2.410694|2.328077|14.312528|2.680718|0.078507|2.335893|4.307910|2.906143|4.231150|3.962810|4.909445|4.070040|7.434901|7.613346|6.761091|29.732382|7.525133|12.471579|0.245249|36.858105| |2.022060|2.316703|3.520340|2.935464|2.787581|16.496110|3.394372|0.101126|2.869047|5.661715|3.630010|5.174104|5.041414|7.267250|5.934185|11.092955|12.646520|7.603091|33.484784|6.267413|7.566034|0.192085|12.429083|36.858105| |1.509156|1.640224|2.401834|1.882773|1.812329|11.554085|2.053201|0.058650|1.867417|3.223416|2.291811|3.413747|3.047458|3.331793|2.798805|4.926804|4.444257|5.011067|25.418404|7.622977|12.554662|0.254176|7.701829|4.959925|53.358707| |1.452212|1.583046|2.311344|1.825170|1.771959|11.263942|1.991054|0.057496|1.814767|3.076027|2.155875|3.151306|2.770276|3.081786|2.674485|4.822233|4.016384|4.232197|22.107052|5.674967|9.229750|0.221505|7.412366|4.777831|25.682037|0.500000| |1.520837|1.647194|2.393110|1.867802|1.810479|11.649455|2.007050|0.057141|1.810916|3.143554|2.244619|3.346108|2.968085|3.214780|2.710144|4.758358|4.217829|4.775572|24.831702|7.097347|9.184361|0.181331|7.109377|4.621141|25.671004|0.329801|0.500000| |1.400450|1.504349|2.199087|1.700891|1.627247|10.488803|1.850644|0.052310|1.717629|2.883403|2.091456|3.137300|2.733570|2.865591|2.429181|4.218119|3.603519|4.194076|23.378444|6.130341|7.385794|0.193824|4.921053|3.749053|17.225535|0.257014|0.255785|36.858105| |1.273722|1.359360|1.966270|1.515858|1.465800|9.552143|1.628355|0.046133|1.518796|2.487333|1.800826|2.661809|2.257961|2.358855|2.063329|3.627107|2.851872|3.184081|18.700630|4.215660|4.883519|0.129054|3.848644|3.016328|10.379237|0.202012|0.195248|12.461118|36.858105| |1.191973|1.261756|1.822238|1.392522|1.341501|8.806591|1.492552|0.042005|1.410484|2.265725|1.658990|2.454913|2.045261|2.092705|1.845212|3.220073|2.452039|2.746840|16.972476|3.480131|3.753324|0.103512|3.027197|2.519250|6.759730|0.130949|0.129087|7.620876|12.572654|36.858105| |1.132521|1.198910|1.733782|1.326765|1.277393|8.369875|1.428379|0.040297|1.363329|2.149779|1.569035|2.302159|1.899237|1.948389|1.741734|3.056664|2.249862|2.468995|15.443742|3.007461|3.292220|0.094839|2.718769|2.326288|5.559444|0.112766|0.103156|5.710411|7.553340|13.724546|36.858105| |1.069693|1.125255|1.623492|1.234199|1.186540|7.824156|1.323823|0.037167|1.274226|1.981173|1.456718|2.135147|1.736712|1.759140|1.583859|2.767400|1.989199|2.179410|14.068571|2.579277|2.724068|0.078516|2.298233|2.023927|4.359895|0.087468|0.082795|4.200063|5.016215|7.919605|13.733572|36.858105| |1.057862|1.106070|1.590756|1.200801|1.153416|7.660621|1.279626|0.035712|1.231684|1.917350|1.422477|2.095855|1.694288|1.693982|1.520678|2.637265|1.899014|2.103051|13.864197|2.479940|2.527967|0.071442|2.142639|1.900418|3.995559|0.078315|0.077963|3.790695|4.425579|6.828840|7.914595|13.770397|36.858105| |1.106351|1.155539|1.659380|1.249921|1.200947|7.996585|1.326416|0.036924|1.267262|2.000279|1.489767|2.211028|1.797473|1.788631|1.590052|2.743725|2.019291|2.270751|14.955208|2.731711|2.727289|0.075161|2.289553|2.005218|4.394360|0.084019|0.087804|4.242910|5.045466|7.986358|6.942698|8.032819|13.813648|36.858105| |1.176130|1.235365|1.776975|1.345562|1.294658|8.578656|1.430515|0.039951|1.353739|2.172540|1.609647|2.397004|1.978216|1.986674|1.748191|3.021240|2.290585|2.601209|16.632360|3.252143|3.288900|0.088808|2.698478|2.293869|5.609851|0.105205|0.113055|5.782807|7.576511|13.711793|7.937520|6.875339|7.890157|13.824504|36.858105| |1.085186|1.125960|1.610419|1.204654|1.157493|7.767240|1.269497|0.035162|1.214516|1.910777|1.433829|2.131879|1.716076|1.688496|1.504602|2.583374|1.880666|2.118185|14.296072|2.500986|2.430026|0.066269|2.076133|1.844300|3.806282|0.072370|0.077669|3.487780|3.939351|5.312887|4.684320|5.321578|8.173088|14.400151|8.205337|97.533100| |17.569639|8.893349|8.193027|4.485577|4.382602|43.785739|3.413880|0.083598|3.077290|4.412443|3.438631|4.191592|2.681812|2.553948|2.765634|4.540349|2.196893|2.079390|16.240080|1.813106|1.682572|0.045083|1.785076|1.995210|2.059511|0.040367|0.042649|1.402302|1.279552|1.195962|1.131318|1.068127|1.059531|1.112552|1.184452|2.462494|0.500000| |17.569996|8.898817|8.216750|4.492477|4.382556|43.701572|3.424651|0.083921|3.273740|4.163714|3.172404|3.769080|2.409865|2.326650|2.576899|4.305173|2.003694|1.882194|14.539777|1.649961|1.552692|0.042118|1.643625|1.844631|1.903634|0.037565|0.039090|1.302942|1.192326|1.119525|1.068053|1.011601|0.999858|1.042181|1.104058|2.301091|0.301665|0.500000| |17.623651|9.017854|10.116915|4.858450|4.235939|36.327009|3.819506|0.089477|3.655541|4.890454|4.005935|4.745369|2.886255|2.679720|2.915775|4.679111|2.253809|2.139015|17.130500|1.844082|1.702598|0.046162|1.782200|2.013930|2.066364|0.040400|0.042364|1.418276|1.285143|1.207998|1.148605|1.087758|1.077854|1.126972|1.194937|2.491149|0.300060|0.300216|0.500000| |3.857047|5.469253|7.787266|8.773185|17.801481|54.891482|6.568114|0.206549|4.724963|6.699464|3.908541|4.362408|3.092906|3.468876|4.533560|8.830381|2.942996|2.502579|17.457992|2.138421|2.115724|0.057359|2.410170|2.896573|2.514384|0.050615|0.051199|1.645752|1.487087|1.353905|1.291404|1.195173|1.156596|1.201941|1.299043|2.596253|0.099453|0.099411|0.095099|0.500000| |3.913152|4.794444|9.270512|6.808610|4.730954|27.138644|8.720486|0.173493|17.600018|9.137140|6.665523|6.468622|3.865312|3.777517|4.629509|7.262724|2.958452|2.652045|20.663028|2.198044|2.082610|0.058671|2.182933|2.627950|2.432487|0.047928|0.048311|1.660562|1.470602|1.375214|1.327589|1.247523|1.212793|1.249765|1.329426|2.709035|0.091984|0.099190|0.116573|0.113522|0.500000| |3.466944|4.387377|7.687973|6.860788|5.327924|28.298951|8.889422|0.216879|17.580407|7.593917|4.716050|4.919166|3.221503|3.381452|4.340895|7.563275|2.755982|2.414007|17.796991|2.041577|1.994165|0.056355|2.136260|2.578527|2.346784|0.046902|0.046548|1.589071|1.419907|1.321484|1.282164|1.201261|1.160246|1.190180|1.267712|2.568368|0.082697|0.091672|0.096669|0.135823|0.302744|0.500000| |2.985553|3.623855|6.398087|5.501454|4.229548|23.003152|8.819487|0.213975|17.569257|9.613315|5.870819|6.070128|3.993990|4.206734|5.436728|8.948340|3.314493|2.870978|21.290208|2.370603|2.304763|0.066219|2.433794|3.014317|2.652587|0.052691|0.051944|1.798664|1.580884|1.469795|1.428098|1.333406|1.282679|1.313928|1.402944|2.819979|0.073591|0.076941|0.085768|0.110840|0.299955|0.300992|0.500000| |4.343330|5.177019|10.283705|6.557229|4.538310|27.402580|7.377532|0.147197|6.850817|12.602243|17.801317|12.817986|5.952133|5.079359|5.702278|7.816804|3.680605|3.371492|28.663574|2.667465|2.408793|0.066415|2.499685|3.022834|2.767321|0.053428|0.055500|1.879188|1.640304|1.525663|1.449881|1.356712|1.329707|1.388460|1.488144|3.023213|0.107004|0.101179|0.135238|0.106525|0.232624|0.141978|0.163864|0.500000| |1.795856|1.945351|2.865859|2.206053|2.084053|13.383679|2.379611|0.065995|2.118228|3.916905|2.899295|4.577334|4.316614|4.424285|3.382798|5.561380|6.056854|8.883644|42.070872|17.475923|8.824398|0.173990|6.595690|5.284129|9.817925|0.148900|0.220034|5.797529|4.249451|3.475701|2.919606|2.514662|2.461710|2.773927|3.346480|5.798391|0.050470|0.045398|0.050593|0.057662|0.057236|0.053240|0.060445|0.069956|0.500000| |1.719732|1.857330|2.774027|2.127053|1.973552|12.582806|2.353552|0.064915|2.158672|3.886401|2.920558|4.679401|4.400530|4.350901|3.307368|5.371342|5.757089|8.920748|45.714652|17.568757|8.804578|0.219125|5.498504|4.843011|9.144294|0.141068|0.167239|6.596654|4.380678|3.786213|3.269764|2.824883|2.734386|3.022644|3.582385|6.198792|0.047688|0.043692|0.049018|0.054373|0.058571|0.053919|0.062935|0.070577|0.302620|0.500000| |1.818915|2.027210|2.972120|2.392273|2.338303|14.589220|2.589965|0.075241|2.232377|4.140101|2.823605|4.121762|3.809397|4.576951|3.827397|6.915233|6.631459|6.216553|28.891234|6.965523|8.882837|0.173751|17.515752|8.834799|9.477676|0.180551|0.209953|4.551339|3.721007|2.923208|2.575962|2.194227|2.077367|2.251803|2.665991|4.650586|0.050935|0.046286|0.050079|0.067090|0.058384|0.056943|0.063515|0.067915|0.198292|0.140410|0.500000| |1.667812|1.864235|2.747719|2.238667|2.191025|13.493465|2.481121|0.073681|2.188426|3.857626|2.577773|3.670203|3.303485|4.024457|3.568425|6.779195|5.558490|4.938968|24.186258|5.484554|8.807314|0.210491|17.525072|8.843061|9.757108|0.228152|0.179124|4.688958|3.871778|3.014766|2.756206|2.309972|2.121576|2.238559|2.630431|4.529151|0.046136|0.042930|0.045952|0.063783|0.056493|0.056367|0.063517|0.062634|0.138349|0.123100|0.301804|0.500000| |1.938460|2.223190|3.400886|2.857525|2.699120|15.817216|3.398647|0.103155|2.951114|5.520089|3.485386|4.855091|4.549212|6.357347|5.690479|11.198675|8.934756|6.085673|29.609312|5.233234|6.553642|0.193720|8.798780|17.548628|6.156061|0.125585|0.112606|3.575271|2.900787|2.458862|2.323087|2.025994|1.880985|1.954847|2.212991|4.021506|0.052594|0.049524|0.053772|0.078466|0.074095|0.073972|0.088382|0.081520|0.120496|0.121523|0.173981|0.220260|0.500000| |2.125720|2.471780|3.729218|3.183512|3.101418|18.055920|3.621152|0.110812|2.958041|5.877079|3.625483|4.969055|4.628465|6.689481|6.266365|12.943693|8.915861|5.807481|29.071823|4.863796|5.535739|0.139862|8.850099|17.628329|5.615626|0.113280|0.111511|3.193202|2.682793|2.261801|2.095475|1.840460|1.737644|1.832177|2.080046|3.824361|0.058409|0.053836|0.058045|0.091444|0.074351|0.074622|0.084608|0.084511|0.123313|0.108309|0.220641|0.207091|0.306103|0.500000| |1.437754|1.535571|2.245221|1.719890|1.635324|10.607235|1.863143|0.052095|1.730141|2.929484|2.161885|3.298924|2.878768|2.930938|2.441563|4.158935|3.646070|4.478165|25.776484|6.836503|6.721601|0.170069|4.506980|3.583564|12.362155|0.181108|0.223062|17.663884|8.790670|6.913212|5.072307|4.009986|3.837363|4.494938|6.155336|8.548460|0.040094|0.037029|0.040632|0.045566|0.046846|0.044248|0.050141|0.053959|0.187218|0.226275|0.119790|0.113646|0.093187|0.085128|0.500000| |1.386530|1.492629|2.194967|1.702070|1.619345|10.372242|1.873202|0.053043|1.756823|2.913376|2.108133|3.150417|2.736238|2.876181|2.452549|4.266295|3.582013|4.094712|23.067839|5.631581|6.966263|0.216720|4.657372|3.730555|12.399983|0.218522|0.180835|17.630573|8.770880|6.866775|6.009051|4.414926|3.815766|4.031144|5.101353|7.395243|0.038331|0.035908|0.039110|0.045516|0.047080|0.045113|0.051612|0.052630|0.137061|0.175563|0.113870|0.125692|0.102947|0.087126|0.301398|0.500000| |1.240600|1.328925|1.920659|1.490311|1.448759|9.406225|1.604011|0.045802|1.497444|2.427766|1.738034|2.537405|2.143090|2.273688|2.021660|3.605575|2.738983|2.956419|17.258085|3.765282|4.604845|0.125184|3.825120|2.991891|9.487193|0.217599|0.172976|8.847015|17.539839|8.891243|7.169457|4.734053|3.975444|4.234516|5.669255|7.587119|0.034544|0.032363|0.034652|0.041088|0.040051|0.039078|0.043381|0.044046|0.103369|0.105568|0.101105|0.112272|0.081307|0.074538|0.173176|0.211469|0.500000| |1.278022|1.360399|1.956110|1.504115|1.462214|9.592582|1.599692|0.045252|1.482325|2.440127|1.769475|2.615154|2.211775|2.303960|2.018692|3.546634|2.772763|3.096032|18.319578|4.075454|4.546575|0.114147|3.755295|2.922600|9.523496|0.181833|0.210361|8.847711|17.538065|8.884867|5.679550|4.221957|3.976057|4.745625|7.154246|8.792930|0.035851|0.033204|0.035724|0.041189|0.039941|0.038552|0.042538|0.044853|0.120708|0.114115|0.105637|0.103901|0.076426|0.073486|0.210927|0.172969|0.302542|0.500000| |1.133672|1.205794|1.747016|1.345203|1.297429|8.452960|1.455395|0.041309|1.390039|2.182208|1.578424|2.298979|1.900233|1.974640|1.778318|3.149258|2.287982|2.466029|15.204759|2.970444|3.378647|0.099632|2.822995|2.412509|5.673204|0.120322|0.102499|5.542473|6.985334|8.891836|17.705810|8.927192|5.642354|4.987318|5.639066|8.334856|0.031373|0.029738|0.031874|0.036599|0.037402|0.036387|0.040600|0.040453|0.078784|0.088186|0.073092|0.081249|0.067889|0.060276|0.128965|0.172058|0.215168|0.143927|0.500000| |1.029154|1.082411|1.561766|1.188082|1.142661|7.531685|1.276245|0.035884|1.235847|1.897796|1.392213|2.027812|1.638279|1.662702|1.511283|2.650426|1.862471|2.014754|13.087347|2.335110|2.480135|0.072405|2.127847|1.901730|3.868588|0.078801|0.073164|3.570102|4.091625|5.641329|8.921708|17.733728|8.946359|5.690620|4.954518|9.623183|0.028475|0.027113|0.029071|0.032006|0.033588|0.032466|0.036007|0.036148|0.062700|0.070516|0.056115|0.059856|0.053425|0.048248|0.093913|0.106756|0.112322|0.097246|0.215842|0.500000| 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