Version2.4 2021-05-29T00:03:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 11-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2CCCCCC(=O)[O-] C13223782 RHF 6-31G(d) (6D,7F) C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2CCCCCC(=O)[O-] C01[X(C25H34N3O4S1)] 195 C1 567 [O-]C(=O)CCCCCn1c(S[C@@H](C(=O)N[C@H]2CCC[C@@H]([C@H]2C)C)C)nc2c(c1=O)cccc2 [O-]C(=O)CCCCCn1c(S[C@@H](C(=O)N[C@H]2CCC[C@@H]([C@H]2C)C)C)nc2c(c1=O)cccc2 C[C@H]1CCC[C@H](NC(=O)[C@@H](C)SC2=Nc3ccccc3C(=O)N2CCCCCC([O-])=O)[C@@H]1C InChIKey=DYTDTBWETJDEDF-XFKSJGNHSA-M InChI=1S/C25H35N3O4S/c1-16-10-9-13-20(17(16)2)26-23(31)18(3)33-25-27-21-12-7-6-11-19(21)24(32)28(25)15-8-4-5-14-22(29)30/h6-7,11-12,16-18,20H,4-5,8-10,13-15H2,1-3H3,(H,26,31)(H,29,30)/p-1/t16-,17+,18+,20-/m0/s1 InChI=1/C25H35N3O4S/c1-16-10-9-13-20(17(16)2)26-23(31)18(3)33-25-27-21-12-7-6-11-19(21)24(32)28(25)15-8-4-5-14-22(29)30/h6-7,11-12,16-18,20H,4-5,8-10,13-15H2,1-3H3,(H,26,31)(H,29,30)/p-1/t16-,17+,18+,20-/m0/s1/fC25H34N3O4S/h26H/q-1 C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2CCCCCC(=O)[O-] C01[X(C25H34N3O4S1)] 195 C01 567 [O-]C(=O)CCCCCn1c(S[C@@H](C(=O)N[C@H]2CCC[C@@H]([C@H]2C)C)C)nc2c(c1=O)cccc2 O=C([C@H](SC1=N[C]2[CH][CH][CH][CH][C]2C(=O)N1CCCCC[C]([O])[O])C)N[C@H]1CCC[C@@H]([C@H]1C)C C[C@H]1CCC[C@H](NC(=O)[C@@H](C)SC2=N[C]3[CH][CH][CH][CH][C]3C(=O)N2CCCCC[C]([O])[O])[C@@H]1C InChIKey=NQALTWDZWGOLLF-XFKSJGNHSA-N InChI=1S/C25H34N3O4S/c1-16-10-9-13-20(17(16)2)26-23(31)18(3)33-25-27-21-12-7-6-11-19(21)24(32)28(25)15-8-4-5-14-22(29)30/h6-7,11-12,16-18,20H,4-5,8-10,13-15H2,1-3H3,(H,26,31)/t16-,17+,18+,20-/m0/s1 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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| 5.6862 12.2811 15.6206 19.3137 20.8014 30.2951 44.5169 53.0553 58.1778 63.0512 71.3658 74.9608 91.0478 97.5963 120.9709 137.8370 141.6751 158.8298 169.6413 175.1044 190.1211 210.4969 218.8218 231.8016 245.7965 252.8999 253.6692 295.5483 300.6107 315.4409 321.3410 346.1220 358.2093 372.6768 381.2680 386.6448 395.9351 410.2424 425.2172 435.1958 442.2267 479.5472 488.5255 490.9673 512.2131 552.5826 556.5566 569.8433 590.4962 596.6918 605.7833 617.9070 633.4994 659.3561 696.5346 713.1782 743.8573 747.8005 775.8393 783.4297 787.3983 793.2832 820.6089 822.1960 850.2550 868.3223 893.2983 897.5114 903.9251 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3193.8819 3198.0840 3211.2665 3213.0409 3218.5558 3222.6810 3232.5178 3237.2286 3248.6867 3253.5451 3258.5094 3260.5464 3270.7699 3277.7520 3288.8781 3289.5569 3290.1406 3291.7441 3313.1978 3319.7936 3352.6654 3359.3024 3379.5536 3395.8473 3411.1399 3906.4214 4.7831 5.6027 11.0528 5.6600 5.1979 5.9541 5.4077 2.9592 3.9349 4.0779 3.1423 3.7882 4.2339 4.7760 3.9004 2.5799 5.6264 2.0853 2.9870 5.5232 6.1479 2.2639 4.9582 1.2788 1.3403 1.3125 2.5424 5.6864 2.6539 4.3223 6.1059 1.8060 3.4124 4.2227 2.4856 4.2522 3.1316 2.6744 4.9364 5.4874 3.4683 3.5528 3.6022 3.9100 1.4249 2.5071 4.0014 4.0025 4.8375 5.3830 3.2585 3.3560 1.8842 7.9362 5.2057 2.8993 7.8432 5.8506 4.6620 1.1042 4.2085 3.5982 1.4457 1.9417 3.1649 1.5531 3.7039 2.0943 2.3282 2.6670 2.6332 1.4681 5.4487 4.0404 3.2589 1.5219 2.2252 1.5032 1.4767 1.8103 1.3868 4.1884 1.6577 3.5195 1.3546 3.4915 1.9624 1.3273 1.6752 2.4960 2.2333 2.6298 1.4421 4.2348 1.8331 1.9757 1.8145 2.0580 1.6897 1.8972 1.8344 1.9478 1.5985 2.5106 2.1055 1.6449 1.2899 1.9809 1.5989 1.4574 2.2202 2.3514 1.3115 1.4764 1.6328 1.3826 1.2974 1.9735 1.6173 1.3712 1.2937 1.2912 1.4277 1.2048 1.5103 1.6256 1.4223 1.5658 1.8175 1.6086 1.5873 7.0315 1.4628 1.4123 1.5529 1.2372 1.2915 1.2527 1.1071 1.1930 2.0372 1.0898 1.0704 1.0818 1.0911 1.0572 1.0440 1.0620 1.0542 1.1007 2.6062 1.1101 1.0990 1.0500 1.8469 7.6723 9.0562 5.7976 11.5202 9.4580 11.9640 1.0824 1.0613 1.0798 1.0626 1.0706 1.1019 1.0996 1.0728 1.0657 1.0427 1.0610 1.0382 1.0621 1.0930 1.1017 1.0353 1.1046 1.1010 1.0960 1.1047 1.1024 1.1019 1.0987 1.0883 1.0665 1.0862 1.1017 1.1047 1.1022 1.0884 1.0927 1.0958 1.0952 1.0783 0.0001 0.0005 0.0016 0.0012 0.0013 0.0032 0.0063 0.0049 0.0078 0.0096 0.0094 0.0125 0.0207 0.0268 0.0336 0.0289 0.0665 0.0310 0.0506 0.0998 0.1309 0.0591 0.1399 0.0405 0.0477 0.0495 0.0964 0.2926 0.1413 0.2534 0.3715 0.1275 0.2580 0.3455 0.2129 0.3745 0.2892 0.2652 0.5259 0.6123 0.3996 0.4814 0.5065 0.5553 0.2203 0.4510 0.7303 0.7658 0.9938 1.1292 0.7045 0.7550 0.4455 2.0328 1.4880 0.8688 2.5569 1.9276 1.6534 0.3993 1.5373 1.3341 0.5736 0.7733 1.3481 0.6899 1.7414 0.9940 1.1208 1.3285 1.3258 0.7632 3.0441 2.2734 1.8405 0.8797 1.3609 0.9526 0.9538 1.1860 0.9389 2.8952 1.1531 2.5222 0.9726 2.5452 1.4355 0.9903 1.2518 1.8741 1.6864 2.0413 1.1532 3.4961 1.5560 1.6874 1.5563 1.7697 1.4551 1.6624 1.6193 1.7898 1.4803 2.4732 2.0819 1.7257 1.3593 2.1125 1.7144 1.5945 2.4330 2.6072 1.4904 1.6882 1.9143 1.6278 1.5680 2.4024 1.9920 1.6910 1.6064 1.6068 1.7872 1.5348 1.9614 2.1499 1.9092 2.1164 2.4597 2.2296 2.2135 9.8629 2.0529 1.9989 2.2222 1.7849 1.8657 1.8275 1.7011 1.8616 3.1793 1.7129 1.6826 1.7088 1.7264 1.6771 1.6573 1.6910 1.6849 1.7632 4.1876 1.7890 1.7844 1.7066 3.1872 14.0375 17.1721 11.2626 24.4824 20.8310 26.7577 6.3359 6.2424 6.3901 6.2897 6.3688 6.5893 6.5933 6.4361 6.4048 6.2836 6.4465 6.3150 6.4825 6.6880 6.7827 6.3923 6.8685 6.8666 6.8564 6.9195 6.9488 6.9753 7.0017 6.9385 6.8022 6.9342 7.1257 7.1733 7.2997 7.2366 7.3531 7.4453 7.5085 9.6948 3.3189 5.3960 0.0825 1.7035 2.4094 2.5047 3.7222 4.8393 1.9842 2.7051 2.3937 2.5008 0.7680 2.6437 1.0850 0.7735 0.3540 0.1348 1.4916 0.0816 10.6436 0.2428 2.3581 0.0789 0.0822 1.7303 1.3042 0.5699 1.1200 3.3143 1.2167 1.0069 14.5336 3.4716 0.4118 8.3127 11.3212 0.9039 11.0401 10.8346 2.3806 0.3863 2.8699 4.6115 56.1950 2.6332 2.3062 6.2140 5.5342 1.4980 7.1580 12.1243 7.1734 3.3741 13.3540 1.3637 4.9448 22.4778 21.8403 3.1517 7.4988 23.5752 2.8723 2.6867 11.4662 75.6328 6.2254 0.7854 4.2866 0.9238 14.2399 1.4359 54.5816 36.1823 7.4123 4.8313 5.6933 6.8682 1.4028 0.7018 2.7564 13.1110 5.2157 1.9450 1.3868 0.3593 4.3015 0.1275 1.9684 17.1564 1.5974 2.0441 1.1934 18.1591 31.7654 45.1834 6.3503 4.1343 7.0665 3.5858 2.6150 0.7325 144.5603 11.3130 30.9350 2.8751 4.4134 5.4985 82.9617 29.1136 29.1654 45.2109 3.7118 57.1351 25.4382 4.5785 4.3454 58.1432 15.0770 4.5345 1.1936 7.4703 19.8641 4.8857 57.5092 23.6733 4.4011 23.6286 106.3464 0.7368 31.8890 434.9812 1.1074 3.0489 29.3861 7.5869 0.2952 1.7653 2.5570 1.0450 3.6531 2.5325 1.0078 3.5378 0.7192 3.0578 8.9300 2.1125 6.2440 6.3346 190.7336 3.2005 17.8872 2.0958 656.4667 436.5038 419.0293 101.5388 640.1098 372.2070 459.1868 14.3907 3.4635 6.4690 95.5966 46.0471 2.5302 66.9816 38.8057 26.4061 64.1855 4.6031 25.6749 52.6076 53.6618 101.0978 18.7542 12.9110 61.7037 47.0863 93.9329 25.5790 68.3170 42.7744 25.7757 39.5194 9.4453 11.6073 21.1000 13.4482 10.0506 30.5106 15.5374 8.7912 36.2468 0.5189 0.0387 0.9313 3.5484 0.7369 3.9552 0.4353 0.3624 1.3741 0.2339 0.9438 0.5440 0.7804 2.7304 0.3688 0.1695 1.2285 0.1800 0.4923 1.1700 0.9652 0.4357 1.5619 0.5000 0.2362 0.2378 0.9543 2.9008 0.4079 1.1171 2.8834 0.2565 1.1851 0.8742 0.4099 1.2234 0.8690 2.1446 0.3726 2.2863 1.5774 2.8517 0.9493 2.6074 1.8247 1.0462 4.2789 0.6735 2.1401 0.7666 6.6875 6.3013 2.2784 1.1545 1.9638 1.7914 1.4329 3.2437 7.1174 0.2060 3.8927 6.1526 4.2740 14.1259 2.1742 0.1188 0.7587 1.0237 2.3394 2.2252 3.8680 3.0104 3.8637 9.8625 2.0245 2.8839 7.0691 3.7974 0.3478 4.2253 5.6289 0.7480 2.3173 2.8422 0.1829 4.1961 3.7083 0.5072 7.8865 18.1858 18.1669 1.4894 3.3292 18.6794 3.8942 3.4197 6.1589 11.9518 1.2270 5.2869 2.6387 1.9941 0.3530 1.2730 21.1304 4.9645 4.2418 1.5910 10.9094 19.0900 22.8882 2.7757 10.8364 11.5177 43.1421 2.1237 29.7820 13.5637 92.7972 1.4739 8.9171 26.5134 14.2034 3.0879 1.4710 2.1329 0.5754 6.1729 24.2202 5.0138 5.3461 5.8183 8.7581 2.6187 3.5805 1.6933 0.8028 0.8081 12.8326 7.5640 8.6726 3.7295 14.4719 11.0678 26.6244 22.6826 10.4291 19.0096 16.4866 10.6161 31.8249 0.7727 11.4971 6.0333 4.9407 202.3336 32.0444 72.6784 0.4923 5.2372 21.0005 116.1680 3.1761 4.0185 133.6348 18.7029 17.9409 128.8029 124.6179 70.0224 117.4325 0.5156 116.0572 93.0081 102.9332 90.3939 98.9136 4.9718 82.5336 72.6094 40.3387 44.2883 46.0656 72.1137 82.0698 58.7444 33.2681 44.4138 69.6725 28.8941 82.6648 177.2179 109.1676 124.0693 42.3192 0.7455 0.7053 0.7499 0.7455 0.7435 0.7491 0.7447 0.7500 0.7497 0.7313 0.7496 0.7425 0.7380 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1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 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 18504.5534 25755.2304 37743.3418 0.99892 0.04620 0.00497 -0.04627 0.99880 0.01604 -0.00422 -0.01625 0.99986 1 0.00468 0.00336 0.00229 0.09753 0.07007 0.04782 8.18 17.67 22.47 27.79 29.93 43.59 64.05 76.33 83.70 90.72 102.68 107.85 131.00 140.42 174.05 198.32 203.84 228.52 244.08 251.94 273.54 302.86 314.84 333.51 353.65 363.87 364.97 425.23 432.51 453.85 462.34 497.99 515.38 536.20 548.56 556.30 569.66 590.25 611.79 626.15 636.27 689.96 702.88 706.39 736.96 795.04 800.76 819.88 849.59 858.51 871.59 889.03 911.46 948.67 1002.16 1026.10 1070.24 1075.92 1116.26 1127.18 1132.89 1141.36 1180.67 1182.96 1223.33 1249.32 1285.26 1291.32 1300.55 1322.91 1330.04 1351.47 1401.04 1406.02 1408.64 1425.11 1465.89 1492.14 1506.49 1517.21 1542.32 1558.42 1563.32 1586.77 1588.30 1600.39 1603.17 1619.10 1620.33 1624.23 1628.82 1651.45 1676.20 1703.11 1726.99 1732.28 1735.96 1738.18 1739.49 1754.61 1761.07 1796.78 1803.81 1860.44 1863.92 1919.95 1924.21 1935.69 1940.96 1960.62 1962.22 1973.74 1998.19 2004.40 2029.62 2033.86 2060.64 2068.12 2080.27 2081.57 2088.76 2090.99 2097.19 2115.61 2136.05 2155.64 2171.65 2179.18 2180.56 2206.75 2213.53 2219.97 2220.53 2229.97 2242.25 2251.41 2252.91 2263.95 2323.46 2341.46 2341.64 2349.97 2350.08 2355.75 2357.74 2360.90 2361.70 2365.30 2369.64 2372.38 2376.01 2379.58 2388.43 2389.71 2462.33 2535.43 2581.11 2612.54 2732.53 2781.78 2803.21 4534.97 4545.86 4559.83 4560.44 4571.81 4583.64 4589.91 4591.17 4595.28 4601.33 4620.30 4622.85 4630.78 4636.72 4650.87 4657.65 4674.14 4681.13 4688.27 4691.20 4705.91 4715.95 4731.96 4732.94 4733.78 4736.09 4766.95 4776.44 4823.74 4833.29 4862.42 4885.87 4907.87 5620.47 0.607101 0.638729 0.639673 0.536625 -1826.310167 -1826.278540 -1826.277596 -1826.380644 3.456247D-04 MUNgauss RevisionA2.1 retrievium 29-May-2021 DUDE C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2CCCCCC(=O)[O-] C13223782 RHF 6-31G(d) (6D,10F) C1 472.227004 |X|Y|Z| 111.753793 91.807590 44.860786 77.209234 20 6 7 16 16 3 1 |36.858105| |12.435534|36.858105| |8.960879|17.457955|0.500000| |7.571157|12.396196|0.247416|36.858105| |4.890505|7.457812|0.188555|12.457384|36.858105| |4.341435|6.394220|0.157199|7.560315|12.467121|36.858105| |4.847919|7.436841|0.187315|6.442248|7.511498|12.428026|36.858105| |4.060925|5.479737|0.138757|4.876879|5.516178|8.916122|17.628316|0.500000| |7.442428|12.323189|0.245321|7.516892|6.412077|7.498500|12.353501|0.246981|36.858105| |6.870270|8.936972|0.174609|6.962894|5.801335|6.997458|9.037668|0.221883|17.475580|0.500000| |6.247242|7.395229|0.187441|4.858375|4.316404|4.882229|7.500030|0.193053|12.424611|0.248310|36.858105| |4.222608|6.128965|0.187703|5.196387|6.184150|7.704347|13.054899|0.259370|7.695093|0.157148|6.460904|53.358707| |3.258205|4.277393|0.128349|3.879280|4.675721|5.840296|7.749941|0.207934|5.159280|0.118224|4.827125|19.253478|36.858105| |2.900327|3.681850|0.104956|3.465043|4.193700|5.588681|6.833347|0.216652|4.556655|0.111692|4.253914|11.576486|15.846897|73.516695| |2.841122|3.543085|0.110997|3.236182|3.764342|4.170648|4.956510|0.130516|3.899262|0.091269|3.851863|10.516281|12.389267|14.259674|36.858105| |2.755468|3.447192|0.108849|3.284672|3.945340|4.170906|4.565081|0.116269|3.613524|0.085614|3.415973|9.144999|8.999898|11.640147|17.621164|0.500000| |2.354980|2.809604|0.084914|2.608042|2.974056|3.334866|3.826527|0.107761|3.123743|0.076387|3.175535|6.914113|7.525798|12.311971|12.485150|0.246770|36.858105| |3.058479|3.677768|0.121542|3.160192|3.392214|3.520202|4.309304|0.110106|3.861613|0.088498|4.119374|8.601155|6.828413|8.800264|10.397577|0.223573|6.838177|388.023441| |2.602312|3.023807|0.099269|2.743189|2.954586|2.914776|3.270285|0.083465|2.991262|0.071148|3.059895|5.906525|4.622899|6.578046|6.794673|0.195883|5.436390|76.007277|36.858105| |2.377002|2.780722|0.089268|2.626731|2.922790|2.879929|3.099686|0.079607|2.752894|0.066591|2.724027|5.493491|4.477035|6.577855|6.691733|0.225502|5.656361|51.336190|14.995048|53.358707| |2.107842|2.402018|0.076004|2.313450|2.539617|2.455640|2.570000|0.066425|2.336641|0.057629|2.303687|4.309611|3.406365|5.249490|4.535243|0.147509|4.166226|34.446411|8.356753|18.785581|36.858105| |1.912179|2.174993|0.067379|2.150347|2.397788|2.323962|2.362572|0.061631|2.124651|0.053228|2.061524|3.852332|3.078649|4.917911|3.918814|0.129851|3.766686|26.920360|5.365327|10.807423|13.598919|36.858105| |1.722258|1.921351|0.058920|1.911710|2.097435|2.017269|2.033441|0.053304|1.862899|0.047221|1.812385|3.220487|2.522240|4.104229|3.058971|0.097287|2.984559|21.558963|4.073025|7.101184|7.944075|13.881068|36.858105| |1.678854|1.842706|0.056681|1.814918|1.947760|1.860295|1.893503|0.049570|1.771157|0.044927|1.742750|2.975826|2.286364|3.703533|2.736021|0.084440|2.648217|20.342584|3.877338|6.220761|6.832889|7.892272|13.599777|36.858105| |1.803115|1.970952|0.061395|1.906933|2.018982|1.923455|1.992130|0.051886|1.884992|0.047404|1.877856|3.165888|2.407180|3.834002|2.916238|0.088609|2.771901|22.985469|4.633449|7.024800|7.870998|6.840702|7.950445|13.884272|36.858105| |2.031185|2.255770|0.071456|2.150063|2.289534|2.190340|2.306779|0.059667|2.165208|0.053652|2.167562|3.777304|2.889534|4.488398|3.654327|0.111835|3.381490|30.130307|7.018827|10.737656|13.735282|7.921355|6.907121|7.948853|13.626681|36.858105| |2.189704|2.400709|0.077069|2.223012|2.307501|2.208863|2.386167|0.061522|2.294672|0.056360|2.353361|3.922989|2.932133|4.488615|3.665308|0.106714|3.319111|33.841420|7.936914|9.196878|7.753442|5.090858|4.510476|5.093909|7.666004|12.998526|36.858105| |2.071154|2.215208|0.070397|2.047858|2.085492|1.989182|2.142956|0.055517|2.103927|0.052185|2.176024|3.429826|2.525334|3.929235|3.026371|0.086567|2.786255|27.429976|5.450949|6.455011|5.337895|4.008736|3.812812|4.519723|6.693459|8.097224|15.895043|73.516695| |2.498090|2.788894|0.091366|2.508999|2.603890|2.523709|2.814422|0.072103|2.697707|0.064921|2.814962|4.807086|3.586225|5.303221|4.655760|0.130626|4.014338|50.532223|13.894283|11.040366|6.982822|4.614031|3.833380|3.960458|5.139613|7.891369|13.657603|14.978415|53.358707| |2.642731|2.859991|0.093634|2.485729|2.488928|2.425287|2.771632|0.071371|2.770325|0.066566|3.016089|4.614959|3.326138|4.964654|4.020140|0.106729|3.508096|45.391842|7.585602|7.004122|4.525176|3.395571|2.966754|3.101063|3.866441|5.056104|7.795138|12.595634|17.496432|36.858105| |2.318114|2.471676|0.078081|2.158438|2.165186|2.165601|2.485403|0.065893|2.477496|0.060629|2.763196|4.043326|3.010114|4.644614|3.598500|0.092602|3.390863|37.575941|5.655553|5.767222|3.811913|2.999935|2.672031|2.792864|3.394302|4.192012|5.809821|10.099934|10.308216|12.480342|36.858105| |2.334439|2.408579|0.074906|2.073487|2.029753|2.033714|2.347794|0.062682|2.418972|0.059813|2.775298|3.686882|2.676006|4.201766|3.012759|0.077085|2.841582|29.624703|4.046369|4.388118|2.942252|2.428076|2.209759|2.308392|2.724747|3.187952|4.125337|7.589307|6.712652|7.537063|12.439881|36.858105| |2.027813|2.080794|0.063161|1.817516|1.789416|1.817751|2.082385|0.056696|2.128962|0.053621|2.441112|3.204767|2.372664|3.831106|2.636843|0.067251|2.598886|24.111991|3.271430|3.733066|2.543337|2.164484|1.996088|2.077979|2.397570|2.719223|3.321919|6.113380|5.111648|4.876171|7.445554|12.437605|36.858105| |1.967720|1.971544|0.058950|1.719468|1.668477|1.693607|1.932962|0.052858|2.015507|0.051436|2.329455|2.895959|2.110857|3.451618|2.268355|0.058167|2.222374|19.995533|2.663138|3.113165|2.136707|1.858095|1.731760|1.799316|2.042351|2.267067|2.695404|4.999925|4.059445|3.749450|4.855683|7.460573|12.489378|36.858105| |1.724154|1.728666|0.050975|1.529552|1.493655|1.527294|1.725819|0.047740|1.783276|0.046125|2.039013|2.553210|1.883801|3.138279|2.009292|0.051686|2.014424|16.982250|2.273919|2.731603|1.893455|1.679084|1.578638|1.634188|1.824951|1.991075|2.294724|4.231580|3.379418|2.946848|3.692000|4.803201|7.322879|12.228150|36.858105| |1.631756|1.656893|0.048856|1.478192|1.460024|1.500758|1.689919|0.046979|1.719362|0.044483|1.948216|2.515429|1.885463|3.160294|2.033771|0.052261|2.080946|16.975136|2.295177|2.781920|1.934626|1.722545|1.620677|1.674106|1.862036|2.027046|2.311113|4.229182|3.381844|2.875102|3.674643|4.447122|6.899702|8.021472|15.441626|73.516695| |1.661093|1.644312|0.048073|1.458562|1.413950|1.443000|1.622026|0.044920|1.691782|0.044146|1.931016|2.365062|1.730252|2.899437|1.817425|0.046998|1.811160|15.118880|2.018308|2.448589|1.703926|1.525499|1.441709|1.490955|1.652172|1.786397|2.036725|3.762323|2.975953|2.564404|3.062586|3.886734|5.161898|8.108296|15.449101|15.164582|73.516695| |17.542033|8.796829|0.212213|7.073037|4.592188|3.841099|4.037232|0.094834|5.444797|0.141701|4.681477|5.002857|2.920020|4.627309|2.624972|0.072144|2.187969|20.195061|2.512645|3.146450|2.083920|1.896536|1.723198|1.690157|1.815251|2.027543|2.181298|3.697281|3.330597|2.573529|2.232759|2.241838|1.941126|1.884836|1.651801|2.777332|2.835407|0.500000| |17.583740|8.716824|0.216044|5.486466|4.033999|3.761853|4.422831|0.106392|6.637120|0.164365|6.854064|5.515959|3.187043|5.014616|2.834238|0.075077|2.367620|22.571653|2.666355|3.248685|2.112302|1.894530|1.707969|1.678297|1.820127|2.058184|2.259337|3.828872|3.542939|2.839249|2.504740|2.578870|2.222874|2.176630|1.885297|3.140788|3.233954|0.302625|0.500000| |17.518515|8.768426|0.173952|6.734190|4.499347|4.174628|4.524139|0.109850|6.832063|0.206640|5.709421|5.110481|2.984089|4.872872|2.572279|0.069121|2.181477|19.143752|2.303362|2.902293|1.904977|1.750246|1.585971|1.542178|1.642044|1.831650|1.955027|3.299907|3.001655|2.319666|2.080726|2.106878|1.866704|1.829061|1.624799|2.738380|2.802427|0.301629|0.301416|0.500000| |6.979302|8.831887|0.216332|17.523036|8.824803|5.501617|4.830173|0.107100|5.483519|0.141731|4.035021|5.854952|3.365048|5.330307|2.954171|0.084807|2.403925|21.044116|2.672864|3.494429|2.305045|2.145406|1.927144|1.843992|1.939521|2.168809|2.241330|3.699025|3.389708|2.462215|2.114418|2.031478|1.772177|1.679194|1.490721|2.555415|2.532035|0.215511|0.143260|0.166857|0.500000| |7.014395|8.856686|0.174404|17.478918|8.861667|6.808428|5.661088|0.128329|6.768306|0.205749|4.506063|5.919232|3.408022|5.637745|2.835617|0.079100|2.361046|19.497777|2.391513|3.134357|2.051933|1.928464|1.732348|1.647600|1.720316|1.916949|1.976136|3.266457|3.003431|2.202154|1.952027|1.897189|1.687459|1.613550|1.448973|2.488316|2.472602|0.179088|0.141105|0.204443|0.303502|0.500000| |4.493733|6.696196|0.198847|8.843651|17.510068|8.846197|6.742798|0.138854|5.622445|0.133155|4.109754|9.210790|5.127249|7.727071|4.315375|0.131082|3.271556|27.620831|3.444973|4.679109|2.947270|2.757297|2.373684|2.189559|2.277988|2.619664|2.622659|4.149957|4.054364|2.780252|2.364433|2.174897|1.893799|1.743681|1.550433|2.700851|2.592146|0.120336|0.107224|0.110124|0.214770|0.173734|0.500000| |4.078589|5.459164|0.139491|8.826556|17.529732|8.828956|5.481337|0.123925|4.818510|0.129588|3.501476|6.391460|3.884248|6.461398|3.252651|0.096270|2.667836|20.688488|2.630464|3.615236|2.365299|2.283002|2.023564|1.872771|1.915611|2.136661|2.121845|3.431335|3.187569|2.222356|1.951755|1.831643|1.631025|1.526902|1.378329|2.401416|2.327833|0.110661|0.094617|0.108180|0.212088|0.215395|0.304062|0.500000| |3.511168|4.802324|0.126521|5.491264|8.780413|17.565075|8.870281|0.214072|5.486164|0.142771|4.069279|9.735569|6.335332|11.547024|4.482767|0.127667|3.637179|24.994228|2.960207|4.097939|2.559572|2.464819|2.121445|1.925841|1.968087|2.239402|2.216116|3.517569|3.423113|2.365189|2.127122|1.970297|1.773990|1.640129|1.488467|2.621444|2.490740|0.088711|0.087313|0.093759|0.123078|0.139544|0.213638|0.210669|0.500000| |4.180088|5.653217|0.131526|6.824808|8.862411|17.496301|8.895449|0.220373|6.792783|0.208363|4.543513|7.654267|4.604704|8.310846|3.439570|0.094457|2.891868|21.206271|2.509616|3.371072|2.154140|2.056472|1.813104|1.682769|1.733136|1.947056|1.966635|3.188736|3.019690|2.159973|1.959427|1.867270|1.689396|1.592894|1.448412|2.526199|2.449967|0.102307|0.099792|0.118372|0.139882|0.201307|0.173714|0.214809|0.303123|0.500000| |4.672433|5.429499|0.140386|4.055901|3.844241|4.617399|7.116758|0.216961|8.789278|0.209185|17.552932|8.370814|5.030837|8.307922|3.908437|0.093825|3.343903|28.438729|2.937718|3.597559|2.230096|2.011277|1.766248|1.689329|1.809299|2.082974|2.242081|3.677061|3.637637|2.837714|2.681170|2.686758|2.422503|2.310061|2.052356|3.516821|3.448808|0.103368|0.138343|0.125219|0.094586|0.107522|0.101620|0.088950|0.111401|0.122000|0.500000| |6.791881|6.559207|0.160646|4.436287|3.753500|4.058046|5.481677|0.144763|8.750046|0.219009|17.580674|6.478489|3.787572|6.113958|3.180017|0.080000|2.708034|24.576074|2.696502|3.278443|2.082399|1.872879|1.669393|1.620422|1.746829|1.991051|2.171833|3.630984|3.473901|2.781400|2.577241|2.662923|2.363885|2.312084|2.028781|3.406563|3.461125|0.137642|0.227731|0.181897|0.105776|0.119143|0.098223|0.087416|0.095012|0.109569|0.302641|0.500000| |5.754973|6.801528|0.202272|4.497731|4.087601|4.404559|6.504992|0.161301|8.716872|0.173554|17.557975|9.288210|5.108951|7.550009|4.309255|0.104454|3.454703|35.935381|3.575548|4.181193|2.558096|2.239738|1.954687|1.889990|2.064719|2.420392|2.684020|4.388156|4.497548|3.632135|3.266549|3.272300|2.790779|2.619515|2.240667|3.792353|3.728278|0.126522|0.184946|0.136295|0.108290|0.110981|0.114265|0.092222|0.105673|0.109409|0.302399|0.302262|0.500000| |4.592216|6.739060|0.238744|5.394393|6.010136|6.293475|8.947100|0.182449|7.213395|0.143983|6.352112|26.118392|9.441810|10.900318|7.404414|0.187753|4.736178|52.808279|5.001943|6.058059|3.450248|2.995067|2.496081|2.332246|2.522884|3.058086|3.244220|5.007725|5.551801|3.932846|3.294599|2.976760|2.515079|2.256335|1.957651|3.406707|3.213969|0.112678|0.124143|0.108237|0.128966|0.120094|0.197105|0.126315|0.158288|0.132746|0.154916|0.133466|0.206928|0.500000| |2.172102|2.541419|0.077434|2.374188|2.670057|2.888578|3.228758|0.089322|2.739455|0.067475|2.795951|5.662029|5.497387|8.903975|8.872214|0.214920|17.611598|45.882906|6.082447|9.102879|4.914057|4.390718|3.402067|2.992434|3.137910|3.885276|3.723644|5.453471|6.035337|3.708615|3.633978|2.940671|2.698114|2.265340|2.055917|3.813768|3.260162|0.056826|0.060927|0.055751|0.061922|0.059734|0.082213|0.067431|0.086536|0.070337|0.080372|0.067649|0.085200|0.113159|0.500000| |2.227992|2.661074|0.078800|2.539070|2.958061|3.380996|3.723673|0.106940|2.971183|0.074147|2.935437|6.384476|6.963372|13.289664|8.873164|0.213490|17.612007|36.203768|4.347896|6.458412|3.720785|3.565618|2.865058|2.500523|2.549640|3.018187|2.889067|4.380622|4.562898|2.950691|2.847064|2.447088|2.269603|1.979391|1.818952|3.340087|2.937735|0.057647|0.061412|0.058037|0.064785|0.064558|0.089275|0.074992|0.106155|0.082127|0.086417|0.070055|0.086007|0.117290|0.300209|0.500000| |2.335231|2.743313|0.081892|2.495221|2.773525|3.155387|3.742000|0.108940|3.127235|0.076943|3.308737|6.524208|6.776440|11.723301|8.797431|0.173526|17.592633|45.026734|4.715610|6.218019|3.532260|3.176203|2.610213|2.376318|2.510371|3.015261|3.058635|4.677545|5.054054|3.429001|3.456916|2.965192|2.766497|2.368491|2.158601|3.982217|3.436196|0.059667|0.066064|0.060501|0.063525|0.063495|0.082749|0.068915|0.093432|0.077556|0.099700|0.078473|0.099936|0.122873|0.300327|0.301717|0.500000| |1.920929|2.211901|0.067897|2.211488|2.520903|2.475318|2.485648|0.065171|2.186851|0.054947|2.097671|4.057155|3.323456|5.384043|4.231095|0.145214|4.136195|26.745837|4.924291|9.959077|8.921407|17.738899|8.899185|5.609361|4.937026|5.652185|4.149783|5.966688|5.486693|3.081624|2.759299|2.271569|2.044206|1.769477|1.609360|2.937680|2.608616|0.052597|0.052472|0.049113|0.060697|0.055216|0.080536|0.067021|0.074381|0.060604|0.057268|0.052576|0.062682|0.085824|0.132797|0.112761|0.094156|0.500000| |1.610331|1.791944|0.054318|1.803273|1.987678|1.917971|1.908953|0.050338|1.743713|0.044594|1.686229|2.976124|2.335776|3.868972|2.764859|0.087525|2.737894|18.940791|3.384714|5.740674|5.647901|8.984816|17.706885|8.879331|5.658461|4.968869|3.594779|5.593462|4.310158|2.547677|2.332036|1.969990|1.803344|1.583138|1.457473|2.663056|2.380105|0.044781|0.044144|0.041504|0.050472|0.045752|0.061898|0.053901|0.056392|0.048243|0.045839|0.043280|0.049992|0.063247|0.085439|0.074775|0.066864|0.214624|0.500000| |1.549578|1.683619|0.051331|1.666434|1.776542|1.695669|1.716263|0.045118|1.616736|0.041335|1.590874|2.654923|2.027796|3.322256|2.372036|0.072295|2.314446|17.539076|3.191937|4.945646|4.931776|5.632879|8.859187|17.724696|8.949880|5.642991|4.131434|6.921521|4.486961|2.702439|2.478485|2.097689|1.913660|1.677432|1.537227|2.799724|2.507977|0.043491|0.043006|0.039765|0.047193|0.042344|0.054897|0.047815|0.048649|0.042987|0.042887|0.041391|0.047599|0.057446|0.071698|0.061350|0.058455|0.123627|0.214411|0.500000| |1.738864|1.872008|0.058124|1.801939|1.878596|1.785976|1.856003|0.048433|1.782874|0.045019|1.789994|2.912794|2.187906|3.500341|2.595514|0.077246|2.470803|20.857153|4.017936|5.706768|5.636838|4.938172|5.632100|8.904299|17.750106|8.937646|7.127488|13.284637|6.407357|3.784905|3.373370|2.758129|2.433588|2.083432|1.860071|3.362482|2.998638|0.048847|0.049049|0.044037|0.051144|0.045378|0.058311|0.049555|0.050317|0.045039|0.047794|0.046693|0.054671|0.064560|0.076605|0.063144|0.063373|0.107307|0.123901|0.213517|0.500000| |3.083317|3.366424|0.113025|2.824713|2.788948|2.719398|3.194934|0.081147|3.253506|0.076489|3.617656|5.404507|3.752162|5.465289|4.400798|0.113938|3.655395|53.820605|7.187648|6.645621|4.081553|3.155034|2.728674|2.780891|3.337715|4.267887|5.816911|9.298601|12.418465|17.641077|8.801039|6.911938|4.543398|3.668150|2.872858|4.906723|4.506760|0.082269|0.093460|0.073858|0.077020|0.068754|0.086583|0.067884|0.072500|0.066753|0.092602|0.091575|0.126239|0.132376|0.103021|0.085080|0.100198|0.081754|0.066082|0.067833|0.089613|0.500000| |2.571013|2.715072|0.088495|2.385069|2.352303|2.249770|2.520650|0.064650|2.564341|0.062327|2.756341|4.071277|2.881882|4.373345|3.360731|0.091572|2.956922|34.378604|5.790357|5.934722|4.111362|3.167999|2.861995|3.080786|3.901168|4.855697|7.648031|14.734054|12.599125|17.688567|8.850250|6.826200|4.515824|3.634971|2.852514|4.874076|4.478094|0.070915|0.076774|0.062630|0.066789|0.058896|0.072695|0.058928|0.060611|0.056144|0.071281|0.072081|0.090592|0.095999|0.086396|0.071075|0.079989|0.078989|0.068479|0.075628|0.110474|0.304344|0.500000| |2.071257|2.198121|0.068727|1.960152|1.978242|1.969311|2.213520|0.058909|2.190033|0.054272|2.394468|3.551616|2.672202|4.195395|3.198926|0.084394|3.099800|30.929551|5.065463|5.499879|3.859184|3.057767|2.787213|2.988462|3.702025|4.455334|6.233456|11.637286|9.412628|8.905068|17.551101|8.828580|6.791557|4.507681|3.587897|6.519591|5.280200|0.055978|0.061475|0.052083|0.053726|0.049527|0.059962|0.050150|0.054166|0.049766|0.064831|0.062487|0.076767|0.079371|0.094525|0.073592|0.086652|0.076756|0.067244|0.073988|0.104661|0.173779|0.214839|0.500000| |2.297876|2.491267|0.078073|2.175616|2.213860|2.260111|2.625924|0.070550|2.564495|0.062646|2.881405|4.337275|3.334931|5.153061|4.092870|0.101757|3.993328|43.254482|6.009538|6.132416|3.879520|3.076841|2.686446|2.733265|3.235592|4.028755|5.161361|8.381975|9.438694|8.852510|17.536525|8.842354|6.847420|4.530658|3.613533|6.599344|5.300097|0.060691|0.068573|0.057692|0.058411|0.054786|0.066992|0.055264|0.062200|0.056654|0.079336|0.073479|0.094478|0.096421|0.119990|0.090535|0.116053|0.080067|0.065478|0.067080|0.086953|0.209060|0.173819|0.302829|0.500000| |2.625733|2.694862|0.084006|2.262784|2.188026|2.204292|2.598249|0.069260|2.729739|0.066887|3.235220|4.071896|2.897232|4.512197|3.180019|0.080015|2.933327|31.861201|4.001262|4.311447|2.816341|2.340415|2.109151|2.169060|2.521562|2.964450|3.736464|6.649032|6.296536|6.963639|8.857844|17.470173|8.842352|6.860542|4.497544|7.209205|6.721702|0.069086|0.082164|0.065410|0.061082|0.057423|0.064747|0.054271|0.058652|0.056194|0.086383|0.086507|0.108660|0.091874|0.082091|0.070030|0.086001|0.061658|0.052542|0.054724|0.069964|0.210200|0.170352|0.173505|0.211289|0.500000| |2.295208|2.327974|0.072441|2.018264|1.955577|1.928859|2.193308|0.058084|2.285755|0.056862|2.581585|3.395509|2.427912|3.824557|2.699750|0.070611|2.518805|25.808093|3.674132|4.066667|2.803862|2.329030|2.154303|2.287065|2.719687|3.116109|4.075545|7.932905|6.266507|6.942099|8.858247|17.481556|8.830435|6.839375|4.476969|7.151046|6.713469|0.062166|0.070484|0.057413|0.055631|0.051339|0.058200|0.049306|0.051700|0.049380|0.068432|0.069796|0.083630|0.076595|0.072389|0.061243|0.071795|0.060042|0.053387|0.058215|0.078102|0.173246|0.206175|0.212048|0.173627|0.303593|0.500000| |1.853001|1.906024|0.057765|1.691115|1.676402|1.694547|1.912156|0.052020|1.935646|0.049019|2.173726|2.938410|2.193813|3.564649|2.463491|0.063784|2.459319|22.003514|3.134441|3.647443|2.549445|2.180293|2.037466|2.148519|2.490146|2.776933|3.379784|6.375796|4.969137|4.529873|6.833511|8.838540|17.540404|8.887480|6.734921|12.490510|8.550537|0.049704|0.055777|0.047535|0.046066|0.043668|0.049424|0.042775|0.046251|0.043787|0.059903|0.058383|0.068180|0.063865|0.072158|0.060124|0.071798|0.056703|0.051089|0.055265|0.071116|0.111938|0.119954|0.203868|0.170722|0.173432|0.210841|0.500000| |2.013102|2.091085|0.063111|1.826631|1.815441|1.871372|2.161453|0.059543|2.181983|0.054970|2.519799|3.342554|2.520168|4.098772|2.811175|0.070459|2.839657|25.399698|3.332131|3.823223|2.561030|2.191307|2.000871|2.051923|2.338185|2.671058|3.182991|5.658501|4.989086|4.539932|6.843413|8.835789|17.548928|8.899114|6.785074|12.774815|8.549472|0.053011|0.061008|0.051751|0.049008|0.047210|0.053236|0.045886|0.051008|0.048304|0.070766|0.067074|0.079754|0.071910|0.081755|0.068352|0.085948|0.058093|0.050387|0.052306|0.064894|0.120293|0.111625|0.169375|0.206225|0.210824|0.173314|0.305783|0.500000| 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