Version2.0 2020-01-31T18:38:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 02-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)c(c[nH]2)[C@@H](CNC(=O)c3ccc(c(c3)[N+](=O)[O-])Sc4ccc(cc4)F)c5cccs5 C13098886 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)c(c[nH]2)[C@@H](CNC(=O)c3ccc(c(c3)[N+](=O)[O-])Sc4ccc(cc4)F)c5cccs5 C01[X(C27H20F1N3O3S2)] 162 C1 588 Fc1ccc(cc1)Sc1ccc(cc1[N+](=O)[O-])C(=O)NC[C@H](c1c[nH]c2c1cccc2)c1cccs1 Fc1ccc(cc1)Sc1ccc(cc1[N+](=O)[O-])C(=O)NC[C@H](c1c[nH]c2c1cccc2)c1cccs1 [O-][N+](=O)c1cc(ccc1Sc2ccc(F)cc2)C(=O)NC[C@@H](c3sccc3)c4c[nH]c5ccccc45 InChIKey=PNKVGVKZSIVNCK-JOCHJYFZSA-N InChI=1S/C27H20FN3O3S2/c28-18-8-10-19(11-9-18)36-26-12-7-17(14-24(26)31(33)34)27(32)30-16-22(25-6-3-13-35-25)21-15-29-23-5-2-1-4-20(21)23/h1-15,22,29H,16H2,(H,30,32)/t22-/m1/s1 InChI=1/C27H20FN3O3S2/c28-18-8-10-19(11-9-18)36-26-12-7-17(14-24(26)31(33)34)27(32)30-16-22(25-6-3-13-35-25)21-15-29-23-5-2-1-4-20(21)23/h1-15,22,29H,16H2,(H,30,32)/t22-/m1/s1/f/h30H c1ccc2c(c1)c(c[nH]2)[C@@H](CNC(=O)c3ccc(c(c3)[N+](=O)[O-])Sc4ccc(cc4)F)c5cccs5 C01[X(C27H20F1N3O3S2)] 162 C01 588 Fc1ccc(cc1)Sc1ccc(cc1[N+](=O)[O-])C(=O)NC[C@H](c1c[nH]c2c1cccc2)c1cccs1 Fc1ccc(cc1)Sc1ccc(cc1N(O)O)C(=O)NC[C@H](c1c[nH]c2c1cccc2)c1cccs1 ON(O)c1cc(ccc1Sc2ccc(F)cc2)C(=O)NC[C@@H](c3sccc3)c4c[nH]c5ccccc45 InChIKey=URBJHUXIILYEGI-JOCHJYFZSA-N InChI=1S/C27H22FN3O3S2/c28-18-8-10-19(11-9-18)36-26-12-7-17(14-24(26)31(33)34)27(32)30-16-22(25-6-3-13-35-25)21-15-29-23-5-2-1-4-20(21)23/h1-15,22,29,33-34H,16H2,(H,30,32)/t22-/m1/s1 InChI=1/C27H22FN3O3S2/c28-18-8-10-19(11-9-18)36-26-12-7-17(14-24(26)31(33)34)27(32)30-16-22(25-6-3-13-35-25)21-15-29-23-5-2-1-4-20(21)23/h1-15,22,29,33-34H,16H2,(H,30,32)/t22-/m1/s1/f/h30H 3815.2008128075 -2316.3626448 1-A 29307.5948 134 454 588 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1.3510 2.2762 2.9685 2.5905 1.3883 2.0526 5.8816 4.6939 1.7472 2.6835 3.1352 1.7687 1.2434 3.2082 1.7065 1.4657 3.0045 3.5860 3.5040 2.9447 1.2016 2.1225 1.9658 1.3427 1.8846 1.7068 1.8772 3.9456 1.6908 1.4063 1.7991 1.2759 2.2586 1.4370 2.0314 1.8249 1.9670 2.0458 2.7368 2.1502 2.3798 6.0505 6.9066 2.9967 2.6793 1.1055 2.5370 1.9476 6.2153 5.3481 5.2635 6.8506 5.6295 5.9476 5.6301 5.5196 11.8983 10.2448 1.0808 1.0759 1.0945 1.0868 1.0907 1.0922 1.0951 1.0914 1.0976 1.0906 1.0911 1.0938 1.0965 1.0968 1.0927 1.0995 1.0981 1.0929 1.0778 1.0814 0.0002 0.0007 0.0015 0.0028 0.0028 0.0052 0.0065 0.0079 0.0125 0.0112 0.0320 0.0396 0.0398 0.0556 0.0882 0.1066 0.1064 0.1690 0.1352 0.1457 0.1082 0.1185 0.2954 0.3960 0.2754 0.5624 0.1891 0.3533 0.5039 0.4020 0.2427 0.5180 0.8357 0.5342 0.6705 0.3913 0.3893 0.6708 0.7171 0.8303 0.4425 0.3518 0.7944 1.0221 0.7046 1.0429 0.8920 0.8066 1.4140 1.0484 1.1986 2.0570 2.0884 2.2099 1.0764 2.1900 1.7877 1.5459 2.1851 0.4735 2.5699 2.1950 0.5665 1.8474 1.5694 1.7151 4.3385 3.2074 2.0642 0.6634 2.0264 0.7969 0.8248 1.7721 0.9671 0.8065 0.8715 2.3803 0.8665 0.8983 1.6641 0.9292 1.0797 0.9294 0.9713 1.6586 2.1671 1.9008 1.0230 1.5463 4.6158 3.7859 1.4473 2.2867 2.6840 1.5176 1.0778 2.8695 1.5383 1.3405 2.8393 3.4119 3.3594 2.8400 1.1659 2.1404 2.0764 1.4363 2.0813 1.9291 2.1361 4.5079 1.9388 1.6558 2.1626 1.5518 2.7763 1.8265 2.6772 2.5150 2.7615 2.9004 3.8916 3.1770 3.7114 9.5987 11.0100 4.7845 4.3696 1.8107 4.2097 3.3615 11.0860 9.5894 9.5556 12.7722 10.5261 11.3796 10.7999 10.8031 24.2452 22.8470 6.5492 6.5752 7.1674 7.2046 7.2767 7.3393 7.3625 7.3692 7.4253 7.3826 7.3892 7.4536 7.4981 7.5039 7.5821 7.6762 7.6835 7.6674 9.5590 9.8070 0.4888 0.3741 0.1998 0.9729 0.7781 0.6875 0.5618 0.7519 0.5210 0.4420 1.6928 0.8797 1.3005 0.9786 1.1067 1.7475 0.5132 4.2770 2.0093 7.4045 5.1048 12.0568 3.2740 1.8897 11.4456 0.7675 40.5025 4.1455 26.1951 14.9622 42.5690 19.9489 5.5069 2.5694 3.2077 0.0556 3.1557 4.9804 11.5637 4.8671 39.3574 95.1553 2.5723 6.0617 0.4402 11.2673 0.4975 14.6929 4.7044 1.0173 12.2087 0.0266 7.6536 2.2956 9.4706 4.5169 5.5560 7.3999 11.2605 52.7210 73.2777 3.5033 68.6875 60.6556 6.5193 11.6028 9.4469 10.5947 16.4464 1.8239 29.8649 33.9973 48.9872 2.2225 8.6080 0.1723 2.6298 7.7507 0.9798 1.6900 6.9958 0.3446 7.2549 0.1192 0.0542 1.5734 7.0804 3.4710 3.6195 2.6916 38.3292 7.4359 2.6564 1.0119 3.2790 77.9007 0.6501 39.2225 29.3938 5.4450 25.9332 19.4048 18.4332 1.4076 23.8932 50.9677 36.5427 13.0164 6.6146 5.3012 21.7734 140.9191 165.8893 10.9333 101.0689 3.6450 59.1450 53.1510 11.6053 3.8919 3.7875 13.1807 6.4675 54.2609 32.0112 12.5317 335.9977 54.0931 4.9038 5.8553 114.2927 562.8764 39.3550 31.8707 1.2013 9.6419 0.6624 61.0333 88.9091 7.9918 593.4551 380.9828 2.3611 49.3425 8.3372 0.3589 12.4045 11.0969 47.4983 9.2831 23.5833 4.3332 0.8565 8.6219 4.2011 3.1062 1.1401 2.7882 2.4686 11.2874 39.4331 110.9307 0.5795 0.9074 1.3392 5.4638 3.0865 3.1649 8.2596 2.2408 5.1137 4.8014 3.9911 2.5679 0.5652 2.7420 1.2679 1.9715 1.8121 1.9556 0.9767 3.2920 0.5022 0.8320 1.3276 0.4569 1.3271 0.6675 2.2973 3.4862 3.9082 0.9856 1.5285 5.2513 1.4637 0.7295 0.0605 0.1344 0.9253 0.2710 1.8344 3.3552 1.3872 3.7179 0.2295 2.5085 2.3172 3.3608 1.0224 0.8792 1.2978 0.4574 3.9426 6.4749 6.2174 8.0663 3.8762 5.4067 1.2425 0.8151 4.8492 2.5240 0.6709 16.8612 1.1182 2.3715 3.9378 1.5529 1.9076 27.2310 7.6149 3.0472 4.3744 1.2748 1.6567 3.9757 2.5490 2.3394 4.4733 0.4121 2.4851 0.3154 8.9437 1.3940 5.0024 0.5667 0.0773 20.1652 0.6708 4.2091 1.1271 1.7712 15.4286 23.2167 4.8025 7.6506 13.3628 4.8970 13.4958 32.5603 2.3871 9.3715 18.4216 10.1188 20.4743 11.5732 5.6740 4.5210 3.9928 9.1364 21.4046 33.6425 2.6196 8.9374 42.4537 5.2139 30.3706 1.5323 9.9674 8.8973 20.5813 9.8530 7.1397 3.9407 1.1519 36.5204 10.1576 89.6801 65.1118 39.4815 2.4220 7.1881 1.4870 4.1419 9.8071 71.3589 5.6102 5.1957 23.8690 222.8406 36.6057 18.6425 22.2452 48.0185 93.0276 7.1105 49.8058 45.6595 121.6261 61.3014 87.4122 81.8233 221.7153 9.8079 68.0254 105.4349 42.4777 228.7595 60.8314 146.8545 68.3662 47.9443 36.0129 126.0753 0.7464 0.7188 0.7090 0.7347 0.7465 0.7487 0.7238 0.7487 0.7483 0.6938 0.6643 0.7443 0.6545 0.5245 0.3746 0.6955 0.7426 0.4636 0.5802 0.7033 0.6967 0.7393 0.7428 0.5848 0.3052 0.7042 0.6271 0.7477 0.4138 0.7499 0.6095 0.7116 0.3581 0.3833 0.7437 0.2938 0.7106 0.2005 0.5069 0.1787 0.7348 0.7459 0.6614 0.1143 0.6602 0.7496 0.2405 0.4337 0.7419 0.2165 0.6742 0.7499 0.1016 0.2541 0.5018 0.4569 0.2639 0.1902 0.6021 0.7346 0.0729 0.0956 0.7340 0.5747 0.5611 0.7490 0.7451 0.0825 0.1294 0.6820 0.2691 0.3166 0.7500 0.1780 0.2156 0.7493 0.3102 0.5308 0.7400 0.5139 0.2175 0.4595 0.5136 0.5528 0.7492 0.1663 0.7489 0.2861 0.5695 0.3384 0.1933 0.1440 0.5878 0.5860 0.2138 0.2223 0.1934 0.1535 0.2889 0.6719 0.5907 0.5377 0.2531 0.2491 0.3886 0.6363 0.5750 0.5701 0.3313 0.1010 0.7371 0.0372 0.3274 0.7039 0.1462 0.7225 0.5603 0.7406 0.3187 0.4906 0.5985 0.5260 0.5456 0.5651 0.5108 0.2136 0.1913 0.1317 0.7243 0.7236 0.7102 0.6876 0.3692 0.2449 0.2217 0.7461 0.2425 0.4730 0.6014 0.7284 0.5309 0.1831 0.1532 0.1354 0.3363 0.6865 0.7112 0.5246 0.3225 0.3778 0.1103 0.7453 0.7478 0.3269 0.7500 0.1437 0.1642 0.2245 0.3125 0.2418 0.1454 0.2439 0.8548 0.8364 0.8297 0.8471 0.8549 0.8563 0.8398 0.8563 0.8561 0.8192 0.7983 0.8534 0.7912 0.6881 0.5450 0.8204 0.8523 0.6335 0.7343 0.8258 0.8213 0.8501 0.8524 0.7380 0.4677 0.8264 0.7708 0.8556 0.5853 0.8571 0.7573 0.8315 0.5273 0.5542 0.8530 0.4541 0.8308 0.3340 0.6728 0.3033 0.8471 0.8545 0.7962 0.2051 0.7953 0.8569 0.3878 0.6051 0.8518 0.3559 0.8054 0.8571 0.1844 0.4053 0.6683 0.6273 0.4176 0.3196 0.7516 0.8470 0.1359 0.1746 0.8466 0.7299 0.7188 0.8565 0.8539 0.1524 0.2291 0.8109 0.4240 0.4810 0.8571 0.3022 0.3547 0.8567 0.4735 0.6935 0.8506 0.6789 0.3573 0.6297 0.6786 0.7120 0.8566 0.2852 0.8564 0.4449 0.7257 0.5056 0.3240 0.2518 0.7404 0.7389 0.3523 0.3638 0.3241 0.2661 0.4483 0.8038 0.7427 0.6993 0.4039 0.3988 0.5597 0.7777 0.7301 0.7262 0.4977 0.1834 0.8486 0.0717 0.4932 0.8262 0.2551 0.8389 0.7182 0.8510 0.4834 0.6583 0.7488 0.6894 0.7060 0.7221 0.6762 0.3519 0.3211 0.2327 0.8401 0.8396 0.8306 0.8149 0.5393 0.3935 0.3629 0.8546 0.3904 0.6422 0.7511 0.8428 0.6936 0.3095 0.2657 0.2385 0.5033 0.8141 0.8312 0.6882 0.4877 0.5484 0.1986 0.8541 0.8557 0.4928 0.8571 0.2513 0.2821 0.3667 0.4762 0.3895 0.2539 0.3922 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 6 6 6 6 6 6 6 6 7 1 6 1 6 7 6 8 6 6 6 6 6 6 7 8 8 16 6 6 6 6 6 6 9 6 6 6 6 16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 12.00000 12.00000 12.00000 31.97207 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 11652.9094 45527.5855 53633.7195 1.00000 -0.00026 -0.00174 0.00025 0.99999 -0.00461 0.00174 0.00461 0.99999 1 0.00743 0.00190 0.00161 0.15487 0.03964 0.03365 8.68 19.29 26.07 36.12 37.75 53.49 62.79 66.51 79.25 85.75 101.74 125.61 149.07 183.52 205.48 238.79 246.78 253.94 260.15 285.35 342.19 347.26 396.11 408.05 411.91 462.04 475.17 483.13 508.58 563.28 580.76 584.43 648.36 650.76 661.49 673.39 681.88 705.14 747.56 748.57 786.61 829.89 832.42 855.85 873.02 886.52 904.98 921.61 930.29 950.98 973.81 999.23 1001.42 1005.09 1035.20 1060.51 1119.74 1145.85 1160.19 1167.28 1175.43 1191.60 1209.09 1222.08 1224.66 1276.45 1278.15 1301.55 1325.42 1343.25 1343.69 1368.02 1370.30 1371.67 1377.07 1383.64 1402.35 1457.29 1506.80 1528.17 1551.05 1557.82 1560.56 1585.44 1589.30 1600.03 1601.53 1605.62 1609.05 1626.95 1660.52 1683.40 1705.98 1730.30 1734.31 1736.29 1745.12 1772.73 1779.66 1792.59 1822.15 1828.37 1835.35 1840.81 1846.37 1882.31 1926.44 1938.60 1969.82 1992.75 1999.50 2003.55 2007.19 2033.92 2055.08 2067.19 2078.17 2113.24 2151.84 2200.47 2220.93 2231.87 2235.17 2278.44 2340.83 2360.90 2366.62 2368.45 2393.75 2398.94 2414.50 2462.58 2503.38 2509.95 2525.57 2559.39 2563.11 2592.75 2596.09 2622.32 2675.71 2799.18 4614.16 4633.69 4796.69 4826.17 4841.42 4859.01 4860.18 4870.73 4875.29 4876.84 4877.89 4893.09 4901.53 4902.77 4937.54 4952.69 4958.17 4964.88 5582.31 5644.78 0.451611 0.480630 0.481575 0.384198 -2315.911034 -2315.882014 -2315.881070 -2315.978447 3.266041D-04 MUNgauss RevisionA2.0 retrievium 31-Jan-2020 DUDE c1ccc2c(c1)c(c[nH]2)[C@@H](CNC(=O)c3ccc(c(c3)[N+](=O)[O-])Sc4ccc(cc4)F)c5cccs5 C13098886 RHF 6-31G(d) (6D,10F) C1 517.093014 |X|Y|Z| 72.588307 151.352053 33.631692 71.757599 31 6 7 16 27 2 2 |36.858105| |13.571201|36.858105| |7.868551|13.859335|36.858105| |6.936979|8.049453|13.665669|36.858105| |7.967545|6.863792|7.788327|13.617315|36.858105| |13.857508|7.881540|6.748982|7.900078|13.615167|36.858105| |5.005747|4.542253|5.250550|8.321214|13.145763|7.265924|36.858105| |4.176607|4.187964|5.294321|8.539131|8.511954|5.258495|14.090176|36.858105| |4.651343|5.163428|7.600456|13.912201|8.531217|5.367019|8.519463|13.901355|53.358707| |3.939300|4.545506|6.656606|9.029935|5.965492|4.275576|5.981018|9.053728|26.129782|0.500000| |4.080178|3.544003|3.788239|5.075686|7.228118|5.750686|12.609917|7.396761|6.992790|0.114706|36.858105| |4.197690|3.527149|3.631822|4.653386|6.665872|5.956931|8.998556|5.806004|6.078852|0.101826|17.530889|0.500000| |3.119593|2.854694|3.112076|4.006068|4.877828|3.985445|7.557494|6.469580|6.041944|0.105508|12.389807|0.249471|36.858105| |2.694910|2.438079|2.572084|3.135307|3.757214|3.341297|5.015234|4.345339|4.533501|0.081881|7.731342|0.199427|13.148983|53.358707| |2.307597|2.128564|2.248461|2.672686|3.063104|2.758686|3.880224|3.597750|3.907509|0.072681|5.143906|0.140066|7.803873|19.149092|36.858105| |2.212261|2.080557|2.229750|2.647433|2.943839|2.605990|3.715304|3.630654|3.964622|0.074941|4.546991|0.123085|6.873268|11.531138|15.860673|73.516695| |2.041624|1.876709|1.947113|2.251271|2.558409|2.390203|3.070880|2.837679|3.217996|0.060558|3.924455|0.110045|5.030305|10.684921|12.677112|14.390358|36.858105| |2.054427|1.859608|1.894913|2.165825|2.495582|2.402523|2.913489|2.617884|3.019460|0.056512|3.759847|0.108375|4.366994|8.889041|7.453656|9.407052|13.723501|36.858105| |1.814917|1.653224|1.673048|1.877537|2.127242|2.077050|2.412900|2.202111|2.602916|0.049269|2.972276|0.085445|3.321946|6.048507|4.990056|7.133482|7.893913|13.792714|36.858105| |1.629446|1.505405|1.533329|1.710128|1.900920|1.840704|2.147888|2.008294|2.394807|0.045860|2.564369|0.072754|2.912227|5.069721|4.395857|6.745040|6.725945|7.865212|13.678957|36.858105| 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|1.432750|1.309610|1.292280|1.393090|1.544444|1.569897|1.645904|1.515288|1.881129|0.036086|1.890328|0.054423|1.935548|3.061723|2.292999|3.641167|2.728855|3.311280|4.160818|3.899253|3.033093|2.649306|3.666799|4.143091|5.008953|33.452471|7.899436|13.749064|36.858105| |1.427447|1.306333|1.290270|1.391040|1.540395|1.563616|1.642223|1.514106|1.880122|0.036085|1.882757|0.053518|1.921836|3.022716|2.233581|3.534832|2.628840|3.162674|3.865899|3.603903|2.866984|2.539601|3.476952|3.999658|4.661360|29.880400|6.921970|8.022144|13.829869|36.858105| |1.436198|1.319925|1.313754|1.425165|1.575468|1.581408|1.698471|1.574578|1.942589|0.037327|1.955709|0.054856|2.026582|3.213887|2.389513|3.761896|2.850297|3.408427|4.220928|4.022533|3.181680|2.784157|3.844758|4.427321|5.086045|33.402149|7.902838|6.860553|7.886979|13.802158|36.858105| |1.452033|1.338768|1.342488|1.466651|1.620484|1.608683|1.769568|1.648340|2.016828|0.038779|2.053466|0.057529|2.178526|3.523714|2.695096|4.226593|3.346718|4.017222|5.357206|5.440111|4.048690|3.364193|4.820515|5.383786|6.399346|48.972187|13.684747|7.936212|6.857934|8.020631|13.779976|36.858105| |1.392316|1.273695|1.250729|1.338507|1.478280|1.512925|1.558029|1.435833|1.797853|0.034543|1.766791|0.050164|1.775776|2.741042|1.995035|3.181083|2.282431|2.692750|3.129525|2.903476|2.406498|2.188169|2.957894|3.470374|3.942402|23.119822|4.671337|5.316741|8.181113|14.366946|8.178521|5.318863|97.533100| |3.890665|3.305499|3.396047|4.265901|5.828478|5.315943|7.559033|5.297631|5.640490|0.096074|12.555673|0.252812|7.535308|8.833382|4.441969|6.700636|3.718594|3.787609|3.049180|2.581672|2.571280|2.966168|2.968385|3.793635|3.499518|15.112685|2.171056|2.071952|2.009575|2.037554|2.127466|2.199092|4.334964|36.858105| |3.616613|2.997091|2.948436|3.487601|4.593295|4.724760|5.183097|3.912565|4.474220|0.078502|7.415592|0.200611|5.419441|7.545871|4.040389|5.973116|3.659522|4.011618|3.283055|2.695907|2.592074|2.904999|2.961657|3.714971|3.533315|15.914978|2.354102|2.275942|2.238005|2.275402|2.349286|2.390297|4.864054|14.110216|36.858105| |3.170563|2.691868|2.631568|3.007455|3.723474|3.868420|4.016127|3.268278|3.881167|0.069790|5.010765|0.130863|4.115594|5.793613|3.343859|5.043170|3.175772|3.521421|3.039341|2.532732|2.402442|2.617484|2.782241|3.493622|3.345487|15.379682|2.331769|2.246747|2.256746|2.357345|2.453375|2.437062|5.124921|8.167484|13.253496|36.858105| |3.074398|2.696237|2.698277|3.103946|3.725670|3.691866|4.077654|3.443790|4.091845|0.074033|4.790801|0.116690|4.062889|5.436635|3.175931|4.896741|2.956718|3.139187|2.730878|2.347782|2.275150|2.493382|2.676868|3.415012|3.201875|14.349206|2.142078|2.034915|2.033778|2.142351|2.266326|2.264391|4.665868|7.660838|8.247236|14.181393|36.858105| |3.426956|3.072781|3.225496|3.947475|4.805882|4.293835|5.799364|4.852118|5.414966|0.095370|6.676413|0.142440|5.472804|6.479304|3.623087|5.686806|3.141791|3.146656|2.652098|2.319298|2.325615|2.635741|2.748708|3.565815|3.244999|13.912189|2.005880|1.892400|1.852211|1.916462|2.031632|2.081995|4.119092|10.960089|7.478860|7.463034|11.033359|388.023441| |17.717964|8.880440|5.630613|4.985404|5.654017|8.963532|4.032941|3.411461|5.015514|0.089589|3.531538|0.103009|2.768321|3.362550|2.138352|3.624271|1.928209|1.966234|1.756843|1.575348|1.559667|1.699639|1.912297|2.448978|2.352822|9.955550|1.435817|1.436278|1.429837|1.423401|1.421610|1.427242|3.143599|3.486759|3.407290|3.055592|2.905280|21.930296|0.500000| |8.877974|17.714410|8.980721|5.690361|4.947212|5.634338|3.616511|3.422298|5.632042|0.106465|2.956824|0.082255|2.458934|2.920118|1.902552|3.316889|1.700186|1.690218|1.519797|1.392148|1.401076|1.530543|1.746400|2.266124|2.146498|8.847952|1.257742|1.247374|1.233798|1.230779|1.239564|1.252697|2.712205|2.808246|2.606845|2.393704|2.396867|18.905060|0.215505|0.500000| |5.600274|8.902432|17.709472|8.826060|5.567560|4.886691|4.286765|4.611428|9.131548|0.187878|3.223280|0.085518|2.772056|3.154712|2.064489|3.681509|1.798680|1.740437|1.549336|1.433762|1.469656|1.629111|1.841659|2.421259|2.242158|9.024233|1.262987|1.236215|1.209212|1.208037|1.231547|1.259329|2.637219|2.913575|2.553736|2.321792|2.402386|20.226026|0.123747|0.215031|0.500000| |8.945205|5.616368|4.887893|5.615361|8.838057|17.723799|6.444882|4.557964|5.908554|0.099027|6.086762|0.188044|4.099166|4.871683|2.908975|4.770664|2.553712|2.624497|2.258375|1.969782|1.946008|2.164070|2.326377|2.962028|2.825028|12.084707|1.742980|1.728780|1.704599|1.695425|1.706485|1.729595|3.691110|6.027218|5.803754|4.524923|4.063908|31.827295|0.215831|0.124026|0.106406|0.500000| |3.383057|3.411421|4.183202|5.891619|5.784409|4.086149|8.669137|17.800219|12.256494|0.213894|6.363209|0.139906|6.811608|6.147485|3.859004|7.161781|2.979573|2.672180|2.243660|2.071996|2.215446|2.623634|2.715659|3.648072|3.176480|12.354648|1.676706|1.588452|1.510798|1.510661|1.582817|1.671105|3.205836|4.730729|3.563691|3.038945|3.236106|32.181391|0.079567|0.080407|0.106816|0.102951|0.500000| |3.034111|2.830795|3.127689|4.015151|4.688294|3.791917|6.969540|6.574529|6.215297|0.110143|8.847925|0.216747|17.666099|12.642383|7.434378|13.801477|4.723832|3.975881|3.093968|2.780101|3.023669|3.825262|3.534297|4.663655|4.046119|15.686832|2.087959|1.968482|1.830948|1.799289|1.883995|2.032719|3.740128|5.516468|4.317271|3.388940|3.325843|30.377781|0.074577|0.067974|0.078192|0.105697|0.200180|0.500000| |2.920625|2.740679|3.043898|3.911845|4.515934|3.632766|6.843984|6.713416|6.181690|0.110288|8.783089|0.174512|17.540489|12.402291|6.553242|10.884352|4.518807|3.890996|3.064012|2.751595|2.967021|3.694197|3.472311|4.628950|3.950036|15.633261|2.113545|1.960149|1.840679|1.848639|1.970618|2.116444|3.856237|6.748077|4.804085|3.940183|4.147429|42.424345|0.071863|0.065983|0.076541|0.101140|0.218499|0.302594|0.500000| |2.666826|2.384018|2.476947|2.977499|3.599976|3.301240|4.624662|3.924779|4.209011|0.076101|7.122636|0.182796|9.112671|26.067574|9.411870|10.927120|7.444860|7.249300|4.852915|3.886744|3.950628|4.948010|4.220362|5.308863|4.776030|20.608951|2.853157|2.619973|2.429908|2.429443|2.603000|2.835948|4.949883|7.348657|6.750328|5.174645|4.718733|37.914158|0.068672|0.058504|0.061856|0.100420|0.110619|0.180836|0.208023|0.500000| |2.271567|2.021306|2.040822|2.342690|2.762772|2.697245|3.218457|2.798725|3.215278|0.059433|4.314515|0.127572|4.743108|9.746486|6.808568|8.589511|8.883968|17.730423|9.017431|5.640237|5.001841|5.670546|4.926749|5.752559|5.706945|27.688242|3.930275|3.635357|3.251854|3.132241|3.299064|3.695488|6.131854|4.484565|5.008776|4.220527|3.588040|25.066648|0.060518|0.050730|0.051516|0.083642|0.077733|0.116140|0.113659|0.242347|0.500000| 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|1.413702|1.302670|1.297259|1.404490|1.547224|1.551961|1.663880|1.547634|1.915158|0.036864|1.902552|0.052854|1.962043|3.070894|2.256738|3.568568|2.633438|3.078222|3.634977|3.468255|2.864819|2.565234|3.508122|4.131091|4.584691|27.559495|5.614855|4.948056|5.639505|8.953283|17.744925|8.859868|16.734034|2.092029|2.302843|2.456914|2.302450|14.507236|0.038869|0.034030|0.033836|0.046371|0.043221|0.050426|0.053555|0.069328|0.083717|0.115536|0.063248|0.107467|0.124555|0.500000| |1.440690|1.335372|1.347915|1.477914|1.625869|1.598609|1.789329|1.680182|2.048421|0.039489|2.072737|0.057341|2.230500|3.606882|2.782011|4.376516|3.458478|4.004279|5.158356|5.510593|4.299615|3.556352|5.192408|5.878345|6.735532|46.751924|8.909302|5.647028|4.945869|5.685055|8.945919|17.737909|9.624360|2.218983|2.373182|2.428236|2.299992|15.184397|0.039124|0.034661|0.035206|0.047447|0.047683|0.057633|0.060982|0.080581|0.100269|0.152290|0.085164|0.124194|0.107447|0.213525|0.500000| 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