Version2.1 2020-12-20T01:23:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc(cc1)[C@@H](C)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cccc(c4F)Cl C39696106 RHF 6-31G(d) (6D,7F) CCc1ccc(cc1)[C@@H](C)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cccc(c4F)Cl C01[X(C26H32Cl1F1N3O2)] 189 C1 563 CCc1ccc(cc1)[C@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cccc(c1F)Cl)C CCc1ccc(cc1)[C@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cccc(c1F)Cl)C CCc1ccc(cc1)[C@@H](C)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cccc(Cl)c4F InChIKey=LTCJNGZCRRUMJO-UTKZUKDTSA-O InChI=1S/C26H31ClFN3O2/c1-3-18-7-9-19(10-8-18)17(2)30-24(32)21-15-31(16-26(21)11-13-29-14-12-26)25(33)20-5-4-6-22(27)23(20)28/h4-10,17,21,29H,3,11-16H2,1-2H3,(H,30,32)/p+1/t17-,21+/m1/s1 InChI=1/C26H31ClFN3O2/c1-3-18-7-9-19(10-8-18)17(2)30-24(32)21-15-31(16-26(21)11-13-29-14-12-26)25(33)20-5-4-6-22(27)23(20)28/h4-10,17,21,29H,3,11-16H2,1-2H3,(H,30,32)/p+1/t17-,21+/m1/s1/fC26H32ClFN3O2/h29-30H/q+1 CCc1ccc(cc1)[C@@H](C)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cccc(c4F)Cl C01[X(C26H32Cl1F1N3O2)] 189 C01 563 CCc1ccc(cc1)[C@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cccc(c1F)Cl)C CC[C]1[CH][CH][C]([CH][CH]1)[C@H]([NH][C](=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][CH][CH][C]([C]1F)Cl)C CC[C]1[CH][CH][C]([CH][CH]1)[C@@H](C)NC(=O)[C@@H]2CN(CC23CC[NH2]CC3)C(=O)[C]4[CH][CH][CH][C](Cl)[C]4F InChIKey=LFRHLALPGLRILZ-UTKZUKDTSA-N InChI=1S/C26H32ClFN3O2/c1-3-18-7-9-19(10-8-18)17(2)30-24(32)21-15-31(16-26(21)11-13-29-14-12-26)25(33)20-5-4-6-22(27)23(20)28/h4-10,17,21H,3,11-16,29H2,1-2H3,(H,30,32)/t17-,21+/m1/s1 InChI=1/C26H32ClFN3O2/c1-3-18-7-9-19(10-8-18)17(2)30-24(32)21-15-31(16-26(21)11-13-29-14-12-26)25(33)20-5-4-6-22(27)23(20)28/h4-10,17,21H,3,11-16,29H2,1-2H3,(H,30,32)/t17-,21+/m1/s1/f/h30H 3559.4245747766 -1875.0457127 1-A 23519.1711 125 438 563 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.92264 -26.43516 -20.62850 -20.62591 -15.85589 -15.69501 -15.68117 -11.45498 -11.45457 -11.44706 -11.44327 -11.44088 -11.40071 -11.38765 -11.38504 -11.37350 -11.37335 -11.36585 -11.36357 -11.35583 -11.35455 -11.35031 -11.34647 -11.33641 -11.30781 -11.30162 -11.30132 -11.29985 -11.29447 -11.29303 -11.28775 -11.28289 -11.26860 -10.65567 -8.12513 -8.12162 -8.12158 -1.75100 -1.49890 -1.49513 -1.49116 -1.37679 -1.33568 -1.29593 -1.25292 -1.22827 -1.22511 -1.20612 -1.17193 -1.14655 -1.13647 -1.11244 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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| 10.6420 17.2055 27.3722 29.1766 41.9498 42.9338 44.9754 58.4188 64.1420 75.4307 84.6156 99.5721 134.6977 143.3273 162.5425 174.3336 184.1714 194.7019 208.7025 228.4897 234.2814 238.9075 258.4898 271.6036 279.7050 289.5908 292.9046 309.9264 319.3841 325.3396 347.5786 380.1700 383.4188 393.6304 407.5958 421.9377 446.6827 457.1933 475.2119 481.4867 497.5065 524.2827 535.5056 554.0196 561.8575 570.7263 594.8703 596.8255 627.9879 639.5186 656.9056 681.8244 703.0602 721.9018 759.3829 781.9593 806.8585 823.4743 827.7891 853.4538 855.3487 861.9575 863.2061 876.7375 890.8647 898.9078 914.2680 916.2701 942.4499 946.0421 954.0277 955.6443 981.9762 983.5796 1041.5156 1046.8475 1052.8127 1065.4132 1075.5849 1088.1460 1095.8838 1101.6178 1110.3691 1115.2665 1120.5164 1124.8543 1126.8733 1134.0634 1137.3722 1161.1758 1172.4307 1181.6214 1184.2298 1199.1365 1205.6551 1215.9818 1220.7201 1237.6022 1248.2046 1273.5251 1282.9464 1307.9328 1313.3162 1314.6384 1319.3205 1321.7529 1330.1919 1338.2229 1350.1064 1361.2559 1369.7048 1377.1438 1381.3753 1400.7510 1414.7870 1447.0678 1451.4279 1453.3769 1456.8969 1468.7296 1491.6386 1496.8550 1505.3501 1508.1231 1516.3847 1528.2948 1546.8117 1549.6851 1558.8883 1561.7431 1563.4798 1564.1583 1568.9265 1582.0528 1587.2581 1626.6284 1631.8299 1635.6127 1636.1396 1640.6092 1641.0542 1646.6103 1647.1074 1649.5147 1654.2499 1662.1947 1677.3948 1686.5206 1694.2417 1709.7856 1769.4935 1776.4133 1811.7128 1823.8523 1825.3834 1893.2141 1939.4512 3190.0849 3198.0654 3204.9106 3217.0004 3221.3053 3243.2838 3246.6232 3248.1224 3270.6213 3274.2465 3274.2898 3275.2962 3275.6602 3287.4135 3291.8583 3295.0201 3298.5054 3300.8651 3321.2803 3333.1308 3347.2304 3347.7655 3352.1945 3361.3876 3368.1532 3371.9357 3392.9240 3408.3824 3415.3156 3659.5352 3729.2097 3879.9245 5.5767 4.9352 3.5246 4.7484 3.8498 7.2541 3.6380 5.3540 4.0998 6.9371 4.8068 4.4736 5.2845 4.9791 3.4829 4.9649 3.3611 3.0743 3.2667 2.6596 2.3697 3.6053 1.5053 4.7953 1.5211 5.3950 2.9446 3.9440 4.0068 3.2758 3.8800 6.6875 2.2259 2.4956 2.4641 9.0843 3.2401 2.9471 3.9096 2.5834 3.1418 1.9142 2.6300 3.8213 3.0049 3.1347 3.5903 2.8153 6.4699 3.1002 3.6156 4.3912 6.4471 3.2912 3.2595 6.5695 3.2165 4.7042 3.6321 1.1641 2.9047 4.4475 3.1237 1.6098 4.9735 4.2257 2.0124 4.9323 1.5392 1.5611 2.3892 1.2594 2.3972 2.4238 2.4206 3.7959 2.1470 1.4836 1.7140 1.3816 1.7602 1.3618 1.9429 3.0013 2.5034 1.3513 1.8468 1.8842 2.4060 1.8217 2.5909 2.1421 1.8381 1.9006 2.3899 3.7288 2.2118 2.4106 1.6284 1.6888 2.2676 2.3784 1.1775 1.9141 2.7934 2.0639 1.1487 1.9194 1.5217 1.6835 2.3479 2.1857 1.7533 1.2782 1.6593 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0.8055 0.8232 1.2812 0.6777 1.3619 1.3815 1.5470 2.4509 1.4021 0.9922 1.1683 0.9639 1.2455 0.9737 1.4114 2.1994 1.8519 1.0074 1.3817 1.4278 1.8338 1.4472 2.0983 1.7621 1.5188 1.6102 2.0468 3.2484 1.9419 2.1754 1.4948 1.6138 2.1990 2.3973 1.1966 1.9491 2.8647 2.1245 1.1975 2.0252 1.6342 1.8380 2.5953 2.4423 1.9712 1.4776 1.9568 1.5950 1.5837 1.5928 1.6761 1.7764 1.8870 1.9775 1.9111 1.8057 2.0845 2.1770 2.2573 2.0784 1.7515 1.7771 2.0950 3.7741 2.1886 2.0302 3.3129 5.6921 1.6925 1.6593 3.8205 1.6521 1.7646 1.6831 1.7446 1.7450 1.7644 1.7758 1.8274 1.8418 4.0986 3.6498 10.5157 11.3094 14.1137 10.7150 2.1205 18.0646 27.4667 6.4668 6.5216 6.2660 6.4749 6.3317 6.6080 6.8619 6.5910 6.6970 6.7242 6.9503 6.8996 6.9838 6.7623 7.0812 7.0413 7.0680 7.0715 7.1906 7.2719 7.1856 7.3139 7.2099 7.2636 7.3205 7.3410 7.3930 7.4872 7.5467 8.3418 8.9724 9.5732 1.7662 0.0546 0.1111 1.1232 1.5427 5.3651 3.7756 1.1768 8.9403 5.2021 5.9679 1.1233 3.3753 7.0077 4.7725 0.8324 3.4590 0.4319 2.2614 2.3686 3.8693 1.0146 2.4544 2.6292 0.7186 10.1446 9.3982 0.2691 11.9977 0.5790 4.0603 2.4547 9.4815 5.4659 4.7024 0.9560 7.8305 0.3454 2.3251 11.3957 1.3763 29.7216 19.8956 18.4743 4.7534 10.3963 0.1930 1.9667 18.5691 20.6383 1.6693 14.5243 2.5165 25.2387 3.6430 29.8311 2.9089 32.9085 4.5135 0.2287 37.0890 0.4336 3.4236 1.6445 9.9761 16.9773 14.6065 20.9382 14.5078 41.6627 4.1000 0.0121 5.5312 6.9508 2.1703 7.5878 18.3816 0.8085 5.9616 0.7299 18.4634 0.0494 9.6171 4.6540 0.5928 0.7060 4.2148 3.3678 9.7129 7.1372 1.2059 11.8284 11.4956 4.1474 20.5744 7.5824 44.3029 7.3219 19.1828 10.8859 28.0102 1.6988 5.9729 2.4236 9.2488 21.8933 6.5601 5.6394 25.9983 101.4396 33.8808 36.8952 10.1829 0.8033 21.8905 4.6138 10.2419 10.9315 6.0712 3.6643 65.8393 11.4561 34.5750 19.4877 94.3988 28.3630 15.4201 22.5072 15.2033 1.0489 112.7110 358.6561 21.9089 67.5839 15.3703 170.2475 27.7468 1.3849 46.9801 7.4364 0.4543 6.1916 5.4969 4.2105 1.4033 27.5288 1.5605 4.3223 113.1971 647.0969 0.5543 16.3681 45.1207 3.6590 122.0976 314.6571 396.9043 19.7576 24.2353 36.2327 31.2613 17.6170 11.4621 2.0132 24.0797 2.0020 19.5634 52.8458 2.1736 52.7075 6.2403 14.5091 32.3808 36.2477 3.1362 2.0002 6.3577 19.5567 5.6981 10.5888 20.0781 31.6375 8.0459 2.2935 0.1237 2.2510 67.6070 85.1725 43.3336 0.1529 1.3296 2.9984 1.4345 4.2546 1.2160 1.8203 0.9401 1.4103 1.1512 0.6900 0.2284 0.5811 0.6867 0.0884 1.5096 1.1076 1.8701 1.6401 0.7955 0.2919 2.2759 0.1413 0.9780 0.6057 0.4128 0.1597 2.8375 1.2964 1.1319 0.4040 2.7596 1.0508 0.4866 1.3722 3.6371 1.1597 0.1275 3.2264 1.1280 1.1537 1.1317 1.4935 1.0659 3.0263 1.1732 0.4200 1.2114 11.8625 1.9750 3.9610 3.0013 5.8519 1.2543 3.1276 2.3933 2.4582 6.7601 0.7020 0.6240 2.2737 19.3075 5.0596 2.0543 13.0797 2.7308 2.5556 4.9614 0.8748 1.2426 2.4395 2.7214 4.2346 5.9750 10.8653 2.1569 9.2776 0.9129 4.2452 1.1300 3.3095 0.0330 3.2194 0.7979 3.0327 0.2672 6.1877 6.3846 4.0622 6.4727 2.6415 15.4409 6.7309 1.7847 3.3547 5.1410 3.0505 5.9854 3.3250 5.9276 3.6646 10.0192 8.6589 3.1666 8.5445 3.2245 1.1765 3.9413 5.6092 6.7720 8.5889 4.7122 7.1507 7.1738 7.0630 14.8368 5.1094 17.9199 7.3246 1.8508 2.5753 10.8434 2.0991 3.3663 6.5705 1.8695 9.0217 1.0621 1.9479 3.8930 1.3742 1.7986 1.7131 0.6224 0.5747 2.6699 11.7353 34.4297 1.8067 22.2888 20.0552 11.8247 1.1323 6.6558 0.6568 5.0952 3.7457 8.7716 0.5165 8.2445 4.6007 7.5039 33.2426 73.5709 5.1789 5.3824 20.8621 11.0870 66.6617 96.1623 111.0723 107.5819 64.7401 104.3036 61.1876 50.7750 102.2564 158.5065 39.2366 11.2126 119.2432 45.3022 63.4336 70.5433 44.6848 52.8188 66.7003 37.6671 32.2743 55.9167 67.9204 34.8289 190.6813 58.7329 58.6789 186.5114 61.5451 60.5609 30.6557 0.7494 0.7430 0.7454 0.7379 0.7376 0.7331 0.7487 0.6395 0.7496 0.7423 0.6670 0.7383 0.7468 0.7444 0.4654 0.7252 0.2204 0.3615 0.3715 0.7259 0.5871 0.7372 0.6998 0.3194 0.3555 0.6167 0.7416 0.5269 0.5909 0.3671 0.6194 0.3680 0.4098 0.7435 0.1777 0.5082 0.5656 0.2886 0.2414 0.6334 0.5015 0.2938 0.1509 0.5018 0.6948 0.7183 0.7500 0.7491 0.1702 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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 8512.0368 35855.2813 41500.4404 0.99990 0.01367 -0.00309 -0.01364 0.99988 0.00769 0.00319 -0.00765 0.99997 1 0.01018 0.00242 0.00209 0.21202 0.05033 0.04349 15.31 24.75 39.38 41.98 60.36 61.77 64.71 84.05 92.29 108.53 121.74 143.26 193.80 206.22 233.86 250.83 264.98 280.13 300.28 328.75 337.08 343.73 371.91 390.78 402.43 416.66 421.42 445.92 459.52 468.09 500.09 546.98 551.65 566.35 586.44 607.07 642.68 657.80 683.72 692.75 715.80 754.33 770.47 797.11 808.39 821.15 855.89 858.70 903.53 920.12 945.14 980.99 1011.55 1038.66 1092.58 1125.07 1160.89 1184.80 1191.00 1227.93 1230.66 1240.16 1241.96 1261.43 1281.76 1293.33 1315.43 1318.31 1355.98 1361.14 1372.63 1374.96 1412.84 1415.15 1498.51 1506.18 1514.76 1532.89 1547.53 1565.60 1576.73 1584.98 1597.57 1604.62 1612.17 1618.41 1621.32 1631.66 1636.42 1670.67 1686.87 1700.09 1703.84 1725.29 1734.67 1749.53 1756.34 1780.63 1795.89 1832.32 1845.87 1881.82 1889.57 1891.47 1898.21 1901.71 1913.85 1925.40 1942.50 1958.54 1970.70 1981.40 1987.49 2015.37 2035.56 2082.01 2088.28 2091.09 2096.15 2113.17 2146.14 2153.64 2165.86 2169.85 2181.74 2198.88 2225.52 2229.65 2242.89 2247.00 2249.50 2250.47 2257.34 2276.22 2283.71 2340.36 2347.84 2353.28 2354.04 2360.47 2361.11 2369.10 2369.82 2373.28 2380.10 2391.53 2413.40 2426.53 2437.64 2460.00 2545.91 2555.86 2606.65 2624.12 2626.32 2723.91 2790.44 4589.82 4601.30 4611.15 4628.55 4634.74 4666.36 4671.17 4673.32 4705.69 4710.91 4710.97 4712.42 4712.94 4729.85 4736.25 4740.80 4745.81 4749.21 4778.58 4795.63 4815.92 4816.69 4823.06 4836.29 4846.02 4851.46 4881.66 4903.90 4913.88 5265.25 5365.50 5582.35 0.592579 0.621868 0.622813 0.528210 -1874.453134 -1874.423844 -1874.422900 -1874.517503 3.173000D-04 MUNgauss RevisionA2.0 retrievium 20-Dec-2020 DUDE CCc1ccc(cc1)[C@@H](C)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cccc(c4F)Cl C39696106 RHF 6-31G(d) (6D,10F) C1 472.216708 |X|Y|Z| 135.905205 31.554692 63.664238 64.873181 26 6 7 23 3 |36.858105| |12.421581|36.858105| |7.507424|12.584108|36.858105| |5.636781|7.532762|13.719236|36.858105| |4.148986|5.002718|7.884009|13.747347|36.858105| |3.729409|4.398739|6.762154|7.895546|13.733237|36.858105| |4.160302|5.004360|7.882095|6.913942|7.993615|13.686461|36.858105| |5.667569|7.531163|13.691190|8.002683|6.915786|7.892819|13.772450|36.858105| |2.896788|3.257188|4.394443|5.009495|7.555435|12.549982|7.499611|4.996039|36.858105| |2.724151|3.038396|3.982435|4.818590|7.414306|8.964025|5.594728|4.197361|17.624380|0.500000| |2.525300|2.876966|3.701679|3.968171|5.236953|7.475357|6.108695|4.309148|12.454951|0.248346|36.858105| |2.756083|2.943574|3.802465|4.120641|5.514448|7.829324|6.189909|4.385192|12.930295|0.256959|7.695886|53.358707| |2.354970|2.465795|3.037266|3.307411|4.213416|5.189910|4.317655|3.360001|7.709753|0.203024|5.937541|19.423131|36.858105| |2.138890|2.260375|2.744110|3.043117|3.871401|4.520145|3.694039|2.956587|6.770340|0.206466|5.785256|11.573423|15.730061|73.516695| |2.225066|2.256503|2.688706|2.841049|3.395490|3.986707|3.605777|2.963618|4.975510|0.130612|4.157731|10.685401|12.465268|14.172195|36.858105| |2.334164|2.325741|2.757077|2.948097|3.489331|3.928860|3.516166|2.967461|4.620484|0.125271|3.694543|9.321596|9.087379|11.612958|17.497968|0.500000| |2.258126|2.269177|2.672859|2.703461|3.114002|3.737253|3.669140|3.046010|4.344360|0.107382|3.843762|8.817172|7.310287|9.308389|12.365391|0.247045|36.858105| |1.965130|1.952182|2.232266|2.253581|2.530430|2.910324|2.870226|2.485589|3.300680|0.084973|3.040282|5.996804|5.118793|7.459173|8.096632|0.187418|13.065295|53.358707| |1.826610|1.814626|2.064418|2.130030|2.404939|2.689304|2.564286|2.240073|3.093800|0.082996|2.827475|5.469299|5.018674|7.825537|8.081677|0.199898|7.913363|17.876360|36.858105| |1.886901|1.908958|2.213313|2.333306|2.719081|3.073729|2.818746|2.397147|3.753466|0.102774|3.398205|6.835182|7.294556|11.757490|12.300621|0.248188|7.813821|11.113760|12.368286|36.858105| |1.793529|1.810416|2.080879|2.240321|2.606198|2.824191|2.526333|2.190553|3.401016|0.098447|3.037943|5.749101|5.891612|10.997283|7.462751|0.201213|5.005404|6.976637|7.412675|12.385370|36.858105| |1.568601|1.583955|1.790021|1.910906|2.179603|2.334558|2.125637|1.875338|2.751104|0.079508|2.569239|4.397573|4.162262|8.028604|4.852816|0.128764|3.821720|5.676512|5.872744|7.433628|12.504428|36.858105| |1.500955|1.534133|1.736609|1.843502|2.108953|2.290505|2.096638|1.836145|2.745412|0.078759|2.677320|4.297872|4.038878|8.112078|4.401646|0.109388|3.620886|5.294605|4.999041|6.481550|7.720211|12.668949|53.358707| |1.390873|1.419588|1.591701|1.683708|1.904185|2.048090|1.890174|1.674726|2.409887|0.069117|2.375294|3.686928|3.330810|6.599315|3.581394|0.091177|3.075725|4.542196|4.158214|4.899783|5.687017|9.161920|25.693806|0.500000| |1.532610|1.580110|1.799904|1.928711|2.231096|2.420630|2.181946|1.897548|2.957701|0.086400|2.907499|4.537024|4.307161|9.254646|4.358837|0.107872|3.491446|4.843311|4.343739|5.918809|7.162339|9.212489|25.647708|0.327389|0.500000| |1.536555|1.572719|1.785292|1.865763|2.130042|2.370675|2.214521|1.922645|2.852305|0.079059|2.844399|4.577121|4.277398|8.119793|4.848250|0.113090|4.263348|6.492774|5.925043|7.417228|6.476498|7.629354|17.210596|0.254245|0.255619|36.858105| |1.745115|1.793126|2.072900|2.166916|2.520658|2.888863|2.681449|2.267771|3.599640|0.097535|3.533169|6.172927|6.233551|11.228192|7.442957|0.152724|6.171526|8.734830|7.525480|12.308974|7.511701|6.477064|10.500863|0.157933|0.198740|12.516072|36.858105| |1.885764|1.857426|2.085339|2.062844|2.259713|2.577324|2.625847|2.331674|2.816207|0.072063|2.656097|4.849714|3.856728|5.821604|5.225125|0.130913|7.866687|19.091041|7.519782|5.213808|3.803797|3.334963|4.333148|0.078981|0.081094|3.865145|4.675639|36.858105| |2.005914|1.969738|2.205110|2.137780|2.313406|2.664440|2.803717|2.508213|2.835831|0.071178|2.687897|4.820359|3.617704|5.402701|4.584074|0.116692|7.094812|11.646751|5.304499|4.213486|3.212352|2.813259|3.704174|0.068202|0.071004|3.230076|3.895715|15.901553|73.516695| |1.655583|1.625018|1.793481|1.780536|1.928622|2.149417|2.174664|1.969822|2.331808|0.060945|2.231059|3.846859|3.083588|4.892506|3.965283|0.102858|4.999490|10.491241|6.304706|4.333106|3.422514|3.216450|4.184170|0.078608|0.076512|3.703621|4.042876|12.643257|14.438501|36.858105| |1.609967|1.560459|1.696770|1.673158|1.783107|1.957937|1.997786|1.847760|2.073377|0.054423|1.972607|3.347565|2.616634|4.180597|3.252534|0.087978|3.955491|7.248555|4.654403|3.423668|2.877572|2.727924|3.498316|0.066907|0.064786|2.952156|3.150607|7.657139|11.597344|13.706627|36.858105| |1.446031|1.402869|1.511110|1.494113|1.583480|1.719027|1.746180|1.629323|1.816221|0.048157|1.744212|2.867833|2.243934|3.670043|2.703587|0.073486|3.120678|5.424952|3.765824|2.906977|2.546510|2.503872|3.235945|0.063275|0.059731|2.686065|2.743317|5.051624|7.974279|7.907510|13.778403|36.858105| |1.346746|1.318504|1.423335|1.416181|1.509181|1.637626|1.649713|1.531082|1.750832|0.046716|1.701533|2.743479|2.175452|3.622956|2.590131|0.069367|2.908641|5.048200|3.664350|2.885660|2.554351|2.600891|3.427746|0.068118|0.062495|2.872966|2.816432|4.437539|6.828443|6.832134|7.940363|13.754760|36.858105| |1.371530|1.355285|1.477201|1.477452|1.591921|1.742262|1.743109|1.596662|1.895230|0.050560|1.856913|2.993169|2.416890|4.048281|2.901205|0.075761|3.249022|5.825827|4.305676|3.358638|2.902269|3.002775|4.053518|0.080387|0.072633|3.542211|3.391560|4.994282|7.289724|7.886733|6.883482|7.955163|13.773599|36.858105| |1.509749|1.496230|1.649588|1.650162|1.795296|1.992420|1.993322|1.800906|2.192703|0.057948|2.138997|3.551248|2.902074|4.764515|3.615081|0.092014|4.229321|8.311340|5.818787|4.237721|3.423089|3.411532|4.601457|0.088107|0.082209|4.221117|4.263562|7.489623|9.771715|13.791511|8.017848|6.939033|7.991192|13.801692|36.858105| |1.515112|1.519929|1.692236|1.704832|1.879136|2.105174|2.083920|1.854213|2.374054|0.062816|2.353364|3.858382|3.235414|5.397500|3.991191|0.097193|4.536954|8.680902|6.319769|4.955290|3.848284|3.900036|5.581638|0.105420|0.098190|5.652642|5.548030|6.645630|8.868046|8.126468|5.295786|4.669057|5.298822|8.156153|14.270893|97.533100| |1.247058|1.242195|1.351266|1.359243|1.466850|1.596338|1.584465|1.451803|1.748296|0.047100|1.739205|2.705563|2.195790|3.783605|2.542163|0.066023|2.723846|4.597338|3.537944|2.993431|2.688298|2.920414|4.114431|0.084847|0.073342|3.567266|3.178120|3.637569|5.540113|4.762652|4.233870|4.763954|7.016275|10.998069|7.056473|14.765507|448.794386| |17.557039|8.783638|5.482501|4.415464|3.406089|3.096874|3.412655|4.430208|2.495206|0.065805|2.225808|3.243670|2.076593|3.390344|1.979113|0.057472|2.013129|2.424456|1.663692|1.707347|1.631056|1.442855|1.883088|0.035819|0.039164|1.414057|1.588980|1.724503|3.257098|1.532523|1.501078|1.359111|1.267327|1.284725|1.403325|3.157946|9.412397|0.500000| |17.552975|8.763278|6.797216|5.933181|4.363647|3.759960|3.964662|5.035410|2.946471|0.078445|2.508076|3.843795|2.433944|3.936183|2.304816|0.068259|2.298403|2.725271|1.882530|1.950468|1.875690|1.631678|2.105097|0.039753|0.043890|1.569617|1.781498|1.902890|3.560072|1.673090|1.626861|1.461316|1.360929|1.385822|1.525394|3.442197|10.110948|0.301284|0.500000| |17.552156|8.761410|6.795482|5.005807|3.952229|3.759876|4.381769|5.983762|2.944499|0.075471|2.567932|3.920448|2.446853|3.889345|2.347813|0.068346|2.436074|2.873231|1.933550|1.974909|1.851592|1.613555|2.099325|0.039616|0.043513|1.592968|1.819974|2.043664|3.916019|1.779502|1.736250|1.548145|1.431116|1.453438|1.606642|3.608016|10.520137|0.301336|0.301637|0.500000| |8.851961|17.553053|8.922362|7.148006|4.727477|3.962733|4.216799|5.669021|3.024864|0.080545|2.697698|3.667897|2.299056|3.815587|2.092842|0.059988|2.071827|2.451753|1.696605|1.794453|1.724902|1.519601|2.005086|0.038008|0.042302|1.497305|1.691705|1.708115|3.187535|1.509333|1.449833|1.312836|1.240597|1.275850|1.400852|3.209644|9.454925|0.213202|0.210713|0.172958|0.500000| |8.851668|17.550794|8.920828|5.682593|4.220449|3.962949|4.725026|7.125628|3.022914|0.077364|2.772125|3.733866|2.309885|3.773327|2.124619|0.060047|2.170083|2.556862|1.733345|1.813282|1.706271|1.505060|2.000159|0.037889|0.041968|1.517377|1.724283|1.806821|3.433084|1.585365|1.524948|1.374141|1.292588|1.327551|1.462429|3.341618|9.784012|0.213209|0.172972|0.210665|0.304201|0.500000| |5.511772|6.983110|8.917690|17.702336|8.945592|5.637155|4.972192|5.668320|4.096386|0.114884|3.354042|4.727859|2.920190|4.883745|2.553092|0.074337|2.407429|2.791819|1.967633|2.145015|2.099539|1.809941|2.365396|0.044371|0.050503|1.738933|1.988855|1.884673|3.446492|1.649732|1.560997|1.405324|1.334814|1.387046|1.536374|3.559066|10.293542|0.124736|0.171170|0.128251|0.214251|0.144013|0.500000| |3.541806|4.089693|5.631882|8.944367|17.701259|8.915304|5.663136|4.973045|7.015568|0.229045|4.918228|7.064851|4.243658|7.262795|3.370678|0.097203|2.971919|3.340812|2.392785|2.751150|2.718485|2.271774|2.977379|0.054845|0.064933|2.166465|2.539891|2.168913|3.881400|1.871811|1.727245|1.543392|1.480251|1.565621|1.758582|4.160009|11.665455|0.083388|0.105967|0.092958|0.112383|0.097308|0.217110|0.500000| |3.555147|4.094727|5.634772|4.971694|5.657870|8.872436|17.692286|8.971930|6.917294|0.139840|6.441160|8.577496|4.427862|6.628019|3.757778|0.098311|4.017196|4.216735|2.692620|2.939049|2.558685|2.163123|2.940471|0.054017|0.062133|2.331006|2.855119|2.861430|5.526571|2.335856|2.125509|1.845186|1.743512|1.852244|2.136285|5.051615|13.465667|0.083640|0.093319|0.106571|0.097287|0.112448|0.107823|0.124033|0.500000| |5.565196|6.985972|8.908956|5.669554|4.973058|5.633958|8.954148|17.701502|4.082140|0.096427|3.735783|5.122275|2.984588|4.683982|2.716049|0.075035|2.878503|3.252462|2.128903|2.235013|2.027125|1.756394|2.349966|0.043983|0.049215|1.823067|2.132997|2.292212|4.456715|1.944917|1.839571|1.624211|1.520372|1.576857|1.772061|4.076432|11.481033|0.125550|0.129434|0.174024|0.143606|0.213027|0.124296|0.107844|0.217932|0.500000| |2.229820|2.484514|3.083690|3.317198|4.241428|5.478674|4.611588|3.485659|8.829246|0.216586|17.586106|9.519169|6.371779|12.238950|4.363054|0.104364|3.902033|4.288201|2.990564|3.716068|3.320886|2.829781|4.129606|0.074130|0.093383|3.237556|4.055026|2.711683|4.774836|2.297564|2.005627|1.780666|1.756773|1.940656|2.241248|5.660095|14.753552|0.055267|0.061982|0.063013|0.065385|0.066592|0.080535|0.116439|0.136059|0.086271|0.500000| |2.512823|2.935251|3.753125|4.078475|5.287763|6.846560|5.623438|4.224646|8.840061|0.213765|17.573291|7.604896|4.574280|8.258577|3.404314|0.086734|3.162522|3.530148|2.446708|2.883709|2.662123|2.302933|3.264809|0.060033|0.072539|2.502574|2.989794|2.309101|4.163176|1.979932|1.774705|1.587058|1.551683|1.681407|1.908627|4.686068|12.755008|0.061924|0.069005|0.069738|0.077877|0.078932|0.096854|0.139851|0.155216|0.101461|0.300906|0.500000| |2.551621|2.902420|3.698559|3.738041|4.634429|6.718579|6.580402|4.558134|8.762176|0.173845|17.573128|9.411147|5.278872|8.601121|4.001212|0.097740|3.977145|4.254867|2.810065|3.270276|2.837226|2.424604|3.448314|0.062807|0.074975|2.763025|3.438640|2.789969|5.134201|2.318551|2.048330|1.801469|1.750022|1.907852|2.207664|5.448313|14.248797|0.062578|0.069185|0.073271|0.074268|0.079351|0.087139|0.115693|0.221734|0.113663|0.300719|0.301300|0.500000| |3.008099|3.152093|4.084766|4.238943|5.374765|7.620657|6.896180|4.882502|8.988354|0.185815|6.099013|26.061882|9.441333|10.870967|7.508971|0.193150|7.297271|6.390931|4.059201|4.707350|3.880113|3.003931|3.933430|0.069647|0.082725|3.114582|4.130619|3.871806|7.065962|2.987250|2.622956|2.214460|2.084146|2.249316|2.681819|6.412355|16.029708|0.071461|0.085229|0.089446|0.078357|0.081570|0.097928|0.133285|0.199808|0.117380|0.149617|0.131266|0.169355|0.500000| |2.230200|2.281811|2.702325|2.696456|3.113359|3.859012|3.891361|3.158221|4.571132|0.108975|4.305499|9.013176|6.948215|9.142977|8.674025|0.175065|17.588670|12.389684|6.026925|6.350533|4.283259|3.445064|4.692731|0.082163|0.093878|4.186132|6.097237|6.909803|12.186240|4.584416|3.633227|2.924412|2.768410|3.121750|4.033601|10.081832|21.452553|0.055319|0.062142|0.066823|0.057727|0.061388|0.066077|0.081474|0.124098|0.083701|0.122003|0.096206|0.129436|0.202016|0.500000| |2.506076|2.475486|2.916506|2.900419|3.279142|3.918864|3.972793|3.351409|4.260924|0.104014|3.645749|8.433103|6.112539|7.919796|8.670288|0.225130|17.607414|12.331384|6.103607|5.717048|4.199418|3.277842|4.156138|0.073720|0.082380|3.450614|4.589366|7.094468|13.030980|4.608505|3.901159|3.053420|2.764031|2.978096|3.751724|8.570625|19.884688|0.061537|0.070901|0.076405|0.061941|0.065478|0.071261|0.085164|0.119880|0.088434|0.098641|0.084743|0.105837|0.218759|0.303135|0.500000| |1.659035|1.650303|1.855860|1.907183|2.130920|2.361197|2.268343|2.005125|2.694566|0.072745|2.533535|4.560708|4.071515|6.690015|5.710359|0.143183|5.766033|12.339044|17.703294|8.639809|6.311386|5.998935|7.222127|0.126643|0.121557|6.596608|7.038591|6.829141|8.537812|6.932232|4.933205|4.148800|4.252922|5.317952|7.384279|18.788980|34.888572|0.042333|0.047303|0.048616|0.043084|0.044060|0.049293|0.059053|0.066299|0.053376|0.075037|0.061762|0.070226|0.093084|0.136306|0.130246|0.500000| |1.857457|1.821252|2.057298|2.131841|2.384347|2.609981|2.479484|2.200852|2.927851|0.079546|2.613292|5.098709|4.535686|7.096254|7.010088|0.207498|6.548808|12.317879|17.503548|8.780938|7.088671|5.543018|5.942679|0.103837|0.107131|4.683507|5.494956|6.328196|8.470763|5.609081|4.573101|3.736908|3.533331|3.932232|4.955066|11.076676|25.851245|0.047031|0.053674|0.054599|0.047373|0.048000|0.055150|0.066216|0.071049|0.057980|0.075490|0.063666|0.071582|0.106802|0.137169|0.159422|0.302786|0.500000| |1.836759|1.829099|2.087638|2.251652|2.587214|2.748203|2.467349|2.173034|3.194151|0.092562|2.784737|5.366699|5.161947|9.083618|6.708282|0.212704|4.721135|6.640731|7.001777|8.780842|17.560001|8.988542|7.640322|0.127053|0.144939|4.880935|5.479720|3.711092|5.607106|3.368637|2.916171|2.579342|2.542775|2.815414|3.272153|7.881484|20.551377|0.046410|0.053840|0.052708|0.048414|0.047593|0.059064|0.075058|0.068569|0.055858|0.082196|0.068587|0.072619|0.103972|0.108769|0.116223|0.162025|0.221689|0.500000| |1.849442|1.888303|2.192862|2.404199|2.855241|3.075092|2.669753|2.291886|3.817774|0.114921|3.365463|6.298391|6.697467|14.273075|7.025772|0.188908|4.568585|5.877896|5.486361|8.866192|17.603576|8.912733|9.437742|0.145248|0.209871|5.627009|6.660724|3.310070|5.158486|2.944716|2.520118|2.245847|2.246816|2.524351|2.933082|7.414107|19.061299|0.046556|0.053880|0.052576|0.050253|0.049199|0.062629|0.084474|0.074201|0.058188|0.103690|0.081999|0.084704|0.112801|0.112804|0.108716|0.132063|0.145934|0.303624|0.500000| |1.508779|1.511460|1.692501|1.786666|2.008928|2.150631|1.993442|1.776798|2.480171|0.070505|2.327334|3.969757|3.627923|6.676555|4.395630|0.118171|3.703941|5.855064|6.306774|6.610855|8.704875|17.617148|12.450350|0.222534|0.181145|7.056806|5.745449|3.526275|5.178026|3.556338|3.012554|2.798221|2.950103|3.440580|3.862247|9.766453|26.820760|0.038709|0.043503|0.043318|0.040181|0.040037|0.047070|0.057544|0.056632|0.046643|0.070227|0.058162|0.062040|0.077233|0.092057|0.089098|0.198273|0.168922|0.212768|0.172935|0.500000| |1.513455|1.527948|1.717037|1.847575|2.098204|2.205338|1.994109|1.776325|2.569263|0.075591|2.392924|3.984060|3.663199|7.215871|4.043379|0.111394|3.226801|4.654960|4.508603|5.440364|8.777938|17.625882|12.354727|0.224074|0.222027|5.587804|4.865941|2.829479|4.350691|2.749564|2.403336|2.240176|2.321006|2.619410|2.889637|7.231013|20.750550|0.038804|0.043922|0.042943|0.041012|0.040218|0.049107|0.061476|0.055743|0.046105|0.072788|0.060558|0.062165|0.075449|0.081669|0.079325|0.126344|0.124413|0.212012|0.216556|0.301187|0.500000| |1.479885|1.501154|1.687724|1.749288|1.969457|2.177050|2.063820|1.815277|2.550777|0.070155|2.521353|4.094472|3.697862|6.721608|4.384175|0.105699|4.087256|6.729987|6.347495|6.578148|5.724624|7.030396|12.417115|0.222306|0.180935|17.646008|8.703518|4.151601|5.989963|4.230224|3.313128|3.051801|3.355312|4.307647|5.139973|16.210097|35.343918|0.037980|0.041972|0.042786|0.039637|0.040315|0.045442|0.055304|0.060384|0.048203|0.077782|0.062146|0.068991|0.079534|0.109404|0.093370|0.226443|0.138721|0.129002|0.131484|0.214932|0.144494|0.500000| |1.466677|1.511951|1.711137|1.781793|2.027189|2.259054|2.122598|1.846222|2.714349|0.075043|2.800016|4.218090|3.801886|7.341578|4.042752|0.095175|3.690404|5.431359|4.547359|5.434337|4.871388|5.591605|12.355112|0.223877|0.222416|17.627982|8.797397|3.400772|5.222206|3.286100|2.668622|2.465466|2.660929|3.266954|3.779801|11.363002|27.511430|0.037623|0.041393|0.042126|0.040094|0.040753|0.046161|0.057171|0.062382|0.048830|0.089690|0.069102|0.075943|0.079408|0.104973|0.084795|0.138286|0.103712|0.107549|0.126591|0.144813|0.126478|0.301697|0.500000| |1.790535|1.865540|2.180738|2.304059|2.730937|3.162927|2.870704|2.387307|4.127745|0.113137|4.166187|6.912332|7.237354|14.768178|6.984076|0.144192|5.494994|6.922891|5.529404|8.805776|6.639561|5.617670|9.431078|0.145271|0.209482|8.944039|17.626531|3.898077|6.098343|3.353371|2.715413|2.390726|2.437335|2.861268|3.469275|9.701359|21.910101|0.045150|0.050720|0.051518|0.049063|0.049779|0.058499|0.077052|0.084709|0.061731|0.140141|0.096408|0.109463|0.121447|0.158820|0.118050|0.140832|0.123275|0.136631|0.190720|0.131673|0.126175|0.173307|0.218325|0.500000| |1.749949|1.797494|2.071697|2.127073|2.446475|2.846573|2.723130|2.302610|3.478504|0.091111|3.503098|5.971277|5.549648|9.283698|6.680145|0.137475|6.785574|9.997401|7.196420|8.757358|5.488883|4.893061|7.650851|0.127254|0.144892|9.028418|17.599815|5.519154|8.127982|4.620900|3.465164|2.966046|3.042240|3.730826|4.899449|15.219501|27.474422|0.044312|0.049187|0.051100|0.046792|0.048415|0.053887|0.067213|0.082437|0.060928|0.109834|0.081921|0.098510|0.114998|0.204309|0.136354|0.192537|0.142691|0.123215|0.137023|0.129847|0.107656|0.214208|0.212447|0.303247|0.500000| |1.713951|1.644412|1.780731|1.742654|1.842089|2.018825|2.080560|1.941634|2.103538|0.054927|1.979888|3.397939|2.602501|4.104935|3.218444|0.088827|3.977046|6.883336|4.276312|3.235298|2.738881|2.537451|3.226124|0.061410|0.060614|2.674950|2.918140|7.187767|12.374912|8.960092|17.749438|8.909825|5.645227|4.960367|5.693409|9.603425|27.445057|0.044362|0.048082|0.051771|0.042212|0.044619|0.045104|0.049233|0.061356|0.053970|0.055226|0.049546|0.057300|0.075250|0.100481|0.114621|0.118593|0.120687|0.078209|0.067492|0.076449|0.062787|0.081210|0.067403|0.071219|0.088326|0.500000| |1.407039|1.356399|1.448104|1.427148|1.499213|1.614531|1.645949|1.552771|1.686053|0.044801|1.615633|2.632650|2.035879|3.339335|2.412437|0.066476|2.748899|4.576858|3.194803|2.545843|2.278133|2.236961|2.879778|0.056616|0.053687|2.342326|2.392384|4.122359|6.845079|5.634872|8.927548|17.744869|8.937040|5.659707|4.988417|8.317179|31.555233|0.036925|0.039488|0.041863|0.035299|0.036950|0.037449|0.040559|0.048053|0.043169|0.045531|0.041123|0.046317|0.056621|0.071740|0.076230|0.095239|0.090042|0.064731|0.056479|0.068804|0.056469|0.072707|0.060209|0.058918|0.070978|0.214538|0.500000| |1.255095|1.228627|1.318246|1.312432|1.392210|1.499999|1.509452|1.409886|1.596653|0.042816|1.557513|2.468649|1.948466|3.279780|2.274798|0.061300|2.502646|4.189301|3.089602|2.523406|2.290679|2.366030|3.133511|0.063192|0.057437|2.575006|2.482974|3.550130|5.635527|4.933396|5.641823|8.885754|17.750708|8.962296|5.679470|9.615456|53.639145|0.032964|0.035224|0.036911|0.032238|0.033505|0.034526|0.038030|0.044116|0.038938|0.044654|0.039756|0.044375|0.051845|0.066644|0.066481|0.098313|0.083738|0.063476|0.056572|0.074283|0.059598|0.082772|0.067177|0.060613|0.073507|0.123947|0.214429|0.500000| 1873.247030 -11496.789441 4409.657502 -220.585694 -5434.470603 3559.424831 -1875.045772 2.000960 408AFFFFFFFFFFF7 44C81991F94330FF 4448947852E198FC 4278985A34C00002 B83294549C4D9288 4419E00D0AB7FB22