Version2.4 2021-05-28T15:08:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)c1ccc(cc1)[C@@H]2[C@@H]([C@@H]([NH2+][C@@H]2C(=O)OCC)c3ccc(cc3)Br)C(=O)OCC C04203113 RHF 6-31G(d) (6D,7F) CCOC(=O)c1ccc(cc1)[C@@H]2[C@@H]([C@@H]([NH2+][C@@H]2C(=O)OCC)c3ccc(cc3)Br)C(=O)OCC C01[X(C25H29Br1N1O6)] 180 C1 568 CCOC(=O)[C@H]1[NH2+][C@H]([C@H]([C@H]1c1ccc(cc1)C(=O)OCC)C(=O)OCC)c1ccc(cc1)Br CCOC(=O)[C@H]1[NH2+][C@H]([C@H]([C@H]1c1ccc(cc1)C(=O)OCC)C(=O)OCC)c1ccc(cc1)Br CCOC(=O)[C@H]1[NH2+][C@H]([C@H]([C@H]1c2ccc(cc2)C(=O)OCC)C(=O)OCC)c3ccc(Br)cc3 InChIKey=CWALIXGDXZODAM-MLNNCEHLSA-O InChI=1S/C25H28BrNO6/c1-4-31-23(28)17-9-7-15(8-10-17)19-20(24(29)32-5-2)21(16-11-13-18(26)14-12-16)27-22(19)25(30)33-6-3/h7-14,19-22,27H,4-6H2,1-3H3/p+1/t19-,20+,21+,22+/m1/s1 InChI=1/C25H28BrNO6/c1-4-31-23(28)17-9-7-15(8-10-17)19-20(24(29)32-5-2)21(16-11-13-18(26)14-12-16)27-22(19)25(30)33-6-3/h7-14,19-22,27H,4-6H2,1-3H3/p+1/t19-,20+,21+,22+/m1/s1/fC25H29BrNO6/h27H/q+1 CCOC(=O)c1ccc(cc1)[C@@H]2[C@@H]([C@@H]([NH2+][C@@H]2C(=O)OCC)c3ccc(cc3)Br)C(=O)OCC C01[X(C25H29Br1N1O6)] 180 C01 568 CCOC(=O)[C@H]1[NH2+][C@H]([C@H]([C@H]1c1ccc(cc1)C(=O)OCC)C(=O)OCC)c1ccc(cc1)Br CCOC(=O)[C@H]1[NH2][C@H]([C@H]([C@H]1[C]1[CH][CH][C]([CH][CH]1)C(=O)OCC)C(=O)OCC)[C]1[CH][CH][C]([CH][CH]1)Br CCOC(=O)[C]1[CH][CH][C]([CH][CH]1)[C@H]2[C@H]([NH2][C@@H]([C]3[CH][CH][C](Br)[CH][CH]3)[C@H]2C(=O)OCC)C(=O)OCC InChIKey=VUBPJWOLOPMMIR-MLNNCEHLSA-N InChI=1S/C25H29BrNO6/c1-4-31-23(28)17-9-7-15(8-10-17)19-20(24(29)32-5-2)21(16-11-13-18(26)14-12-16)27-22(19)25(30)33-6-3/h7-14,19-22H,4-6,27H2,1-3H3/t19-,20+,21+,22+/m1/s1 InChI=1/C25H29BrNO6/c1-4-31-23(28)17-9-7-15(8-10-17)19-20(24(29)32-5-2)21(16-11-13-18(26)14-12-16)27-22(19)25(30)33-6-3/h7-14,19-22H,4-6,27H2,1-3H3/t19-,20+,21+,22+/m1/s1 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1426.4043 1426.4329 1426.6444 1437.0402 1451.4903 1457.1593 1464.2595 1475.6753 1483.6520 1509.1736 1513.5965 1536.0235 1541.0695 1547.8234 1552.7789 1576.5368 1579.9455 1585.8309 1590.1274 1596.1409 1613.3082 1618.7673 1627.7080 1627.9997 1629.9129 1640.9222 1641.0732 1642.4617 1664.3955 1664.7468 1669.8867 1675.2892 1693.5738 1763.6172 1770.0324 1801.1143 1807.6986 1822.3084 1952.6085 2001.7390 2006.6531 3218.9496 3225.2002 3225.5236 3269.7661 3270.0239 3272.8354 3278.4263 3280.2549 3286.2354 3291.3300 3298.4048 3298.4358 3299.1115 3300.7028 3304.8640 3322.0095 3327.5025 3339.8328 3342.4994 3362.2747 3366.8151 3398.2822 3399.7055 3413.5935 3416.1602 3417.5435 3419.9493 3588.5101 3729.2833 6.5341 5.0765 4.3137 4.7507 3.3778 4.6484 3.9990 3.8453 2.8818 2.5989 3.6012 3.6730 3.6698 5.8698 3.6624 5.2429 3.6057 3.9556 6.2610 5.0027 3.4788 4.6348 5.9321 4.5311 3.8974 1.9264 2.5568 1.2803 1.7551 2.7154 3.4591 5.0176 4.7998 6.4540 5.1670 4.5131 4.1837 3.8422 4.2176 4.8360 2.9373 3.0590 4.3808 4.8160 5.2932 3.6925 3.4889 3.3872 4.5652 5.6802 6.8975 6.3741 6.7519 5.6420 3.8959 3.7386 4.0301 3.4389 3.3300 1.1793 1.1236 1.1823 4.0874 5.0596 4.4159 2.5673 3.4183 2.4003 1.2674 2.7015 1.7995 1.9574 2.1336 2.0745 3.3481 3.3373 2.9048 2.9067 1.5838 3.5665 2.5836 3.1344 1.4096 2.4055 1.4086 2.9893 1.3615 3.5349 3.1139 3.0142 3.5388 2.0746 2.2204 2.0745 2.1066 2.1525 4.3365 2.6354 2.4257 1.5326 1.5380 1.5446 1.3334 1.2049 2.1185 1.2361 2.6674 1.5745 1.6156 1.5953 1.0933 1.0896 1.1051 1.5694 1.7988 1.4946 2.7622 1.4393 1.5633 1.3493 1.4246 1.2775 1.3926 1.3299 1.6963 1.3954 1.3761 1.4363 1.9410 1.5958 2.1548 1.8621 1.0392 1.0393 1.0406 1.0656 1.0670 1.0591 1.1099 1.1214 1.0954 2.2078 2.3502 5.7732 5.9775 5.0692 1.1146 5.3635 8.3459 12.4522 11.7721 1.0359 1.0359 1.0359 1.0878 1.0630 1.0880 1.0627 1.0630 1.1054 1.0990 1.1033 1.1035 1.1019 1.1016 1.0880 1.0891 1.1113 1.1119 1.1122 1.0918 1.0917 1.0906 1.0905 1.0953 1.0964 1.0943 1.0950 1.0659 1.0864 0.0010 0.0012 0.0012 0.0016 0.0016 0.0034 0.0040 0.0064 0.0079 0.0080 0.0144 0.0166 0.0191 0.0384 0.0254 0.0527 0.0410 0.0499 0.0837 0.0699 0.0588 0.0892 0.1300 0.1200 0.1266 0.0764 0.1082 0.0603 0.0872 0.1431 0.1925 0.3071 0.3104 0.4743 0.3982 0.3990 0.4043 0.3928 0.4664 0.5761 0.3621 0.3919 0.5740 0.8004 0.9022 0.6946 0.7156 0.7461 1.2150 1.5339 1.9721 1.8838 2.2291 1.8876 1.4170 1.4104 1.6801 1.4383 1.4568 0.5362 0.5129 0.5425 1.9448 2.4700 2.2531 1.3430 1.8038 1.2776 0.6780 1.4670 0.9960 1.0838 1.1885 1.2112 1.9610 2.1094 1.9628 2.0593 1.1386 2.5776 1.8828 2.2963 1.0383 1.7847 1.0478 2.2425 1.0336 2.7495 2.5047 2.5106 2.9995 1.7705 1.9078 1.8753 1.9051 1.9485 4.0562 2.5192 2.3719 1.5125 1.5198 1.5308 1.3682 1.2383 2.1890 1.3024 2.8281 1.7695 1.8853 1.8965 1.3106 1.3062 1.3252 1.9095 2.2328 1.8697 3.4894 1.8467 2.0275 1.8106 1.9229 1.7759 1.9485 1.8772 2.4098 2.0434 2.0239 2.1282 2.8916 2.3953 3.3043 2.8749 1.6222 1.6229 1.6288 1.6905 1.6930 1.6833 1.8116 1.8311 1.7997 3.6509 3.9716 10.5798 11.0340 9.6888 2.1460 10.4940 18.7479 29.3975 27.9287 6.3242 6.3489 6.3498 6.8523 6.6972 6.8661 6.7299 6.7392 7.0332 7.0145 7.0724 7.0737 7.0664 7.0708 7.0012 7.0817 7.2495 7.3076 7.3211 7.2719 7.2913 7.4208 7.4258 7.5197 7.5389 7.5307 7.5458 8.0875 8.9022 0.4993 0.1426 0.2081 2.0029 0.3384 0.4291 0.5291 0.3071 0.1104 0.5403 1.3783 0.6721 3.4721 0.7259 0.5943 0.1902 0.4469 0.7505 0.5659 0.5298 4.3446 1.8920 9.8248 3.3511 14.6186 1.0968 10.0037 1.1655 5.7115 17.2740 9.3617 9.9807 6.5795 19.0884 7.4873 19.9848 0.1639 12.2842 17.9203 1.1616 0.5442 0.2694 12.7097 10.8963 2.5565 21.6252 18.3104 8.8708 0.2015 8.6064 1.0584 12.0508 7.3602 10.1980 37.2202 4.2096 0.8748 26.7638 32.8742 1.1269 0.4286 5.4552 13.9103 6.1888 9.5147 75.5710 20.9180 53.8551 3.6385 3.0990 4.1112 9.4739 2.3780 24.6510 6.7897 13.3401 19.4408 11.5191 10.1677 43.7495 36.2664 6.4241 3.6820 17.9034 1.4235 57.2475 3.7039 109.9214 3.4704 48.6526 20.4671 1.3133 3.1446 23.1858 14.2858 71.2162 102.3925 3.5822 11.7878 6.0028 6.5352 5.6210 2.6622 31.5042 8.2353 19.7291 6.3668 97.3361 163.9178 78.8603 2.4403 1.9626 0.2876 77.4307 177.5269 131.6881 824.5667 260.7545 104.2361 21.5528 133.6379 27.2092 19.5060 35.9097 123.2188 88.1434 27.2860 18.2929 24.3985 102.2539 123.3998 10.7060 6.3753 6.5616 5.5925 1.2559 1.9949 2.1494 2.2842 13.5055 4.0996 43.0154 2.0165 1.0917 8.8237 39.9797 127.9522 23.6714 174.3275 434.4801 236.7803 17.4853 13.1470 12.1746 1.9583 9.1103 9.1196 4.9266 5.3409 12.8810 42.4030 6.6889 20.2456 17.5138 19.7547 3.1897 0.3392 40.8719 32.3957 30.3321 8.6329 10.8963 2.0165 2.4913 0.3574 0.9399 0.8701 0.5236 82.3228 113.7815 1.5364 0.2072 0.9122 1.5647 0.1662 2.3074 1.7440 3.0663 0.4013 2.9821 0.7383 0.2733 1.6646 0.9847 0.8957 0.6950 0.3204 0.2886 1.2865 1.8374 0.1692 0.3013 0.3036 0.5287 1.7701 2.3969 0.6691 0.0367 0.2281 1.4796 1.4907 1.9500 1.3159 1.6967 1.1418 0.9864 1.9639 1.7050 0.6781 0.4705 0.2525 0.0436 0.2593 1.4977 0.2855 1.4342 0.6587 1.5680 0.9452 5.0041 4.5914 4.5427 17.8503 3.6769 0.7146 0.5544 3.3323 1.2569 1.4697 0.1378 0.2041 0.4981 8.0179 9.8385 3.9981 5.2429 4.2093 12.5350 1.7838 8.2606 3.4277 9.9000 0.5016 1.0260 6.4891 2.4095 4.7760 5.6438 0.6075 0.8128 3.9097 0.5751 0.2131 2.5325 1.5588 5.2724 0.3209 5.1899 16.6223 21.4525 12.8356 1.1903 0.9992 3.3280 3.7114 23.4624 14.5876 4.3939 1.4210 1.3563 1.1559 1.0923 5.5260 10.5049 4.1005 1.3663 51.3185 6.5488 3.5086 14.0081 6.2741 13.4415 14.8901 5.1286 5.6025 6.8266 21.3107 7.4503 3.5678 4.9873 21.3290 0.7714 0.4625 1.1244 0.7569 4.7172 3.9659 4.3288 1.6861 1.4853 1.8370 4.4791 19.3388 19.3640 21.8847 7.5213 22.1306 19.9003 0.5695 4.2724 2.9961 0.6804 0.7062 2.8055 1.6471 133.3901 3.3755 168.7825 1.7138 34.6281 5.2003 113.7665 85.9275 110.3699 12.2728 89.9276 31.4282 75.7854 85.0317 76.3105 106.1999 93.5835 52.6796 60.5395 64.0018 70.5819 45.9419 24.0566 11.8849 17.0416 56.8157 63.2186 23.8419 33.0556 72.5989 102.9753 77.2646 79.3202 20.3292 60.6894 0.7263 0.7499 0.7224 0.7489 0.4943 0.7469 0.7143 0.7477 0.7371 0.7477 0.7309 0.7499 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0.5800 0.5823 0.6505 0.6664 0.6420 0.7574 0.8376 0.7553 0.7901 0.8195 0.0849 0.7536 0.6411 0.8044 0.8353 0.8545 0.8569 0.8422 0.8239 0.8365 0.8571 0.7631 0.8539 0.1758 0.7816 0.8544 0.7398 0.6225 0.7059 0.6015 0.6753 0.4157 0.3436 0.0515 0.0360 0.0508 0.4579 0.3128 0.4762 0.3567 0.3542 0.8571 0.6626 0.8448 0.7515 0.7623 0.7157 0.4565 0.3611 0.8570 0.8552 0.8117 0.5020 0.5100 0.7772 0.8254 0.4615 0.2410 0.4375 0.2539 0.0752 0.5399 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 57 58 59 60 61 62 6 6 8 6 8 6 6 6 6 6 6 6 1 6 1 6 1 7 1 1 6 1 6 8 8 6 6 6 6 6 6 6 6 35 6 8 8 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 1.00783 1.00783 12.00000 1.00783 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 12.00000 15.99491 15.99491 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8984.2280 40835.2899 45684.2936 0.99991 -0.00853 0.00992 0.00865 0.99989 -0.01229 -0.00982 0.01237 0.99988 1 0.00964 0.00212 0.00190 0.20088 0.04420 0.03950 22.87 28.61 31.19 34.15 41.17 50.43 59.09 76.39 98.27 103.85 118.53 125.88 135.20 151.52 156.07 187.92 199.90 210.61 216.74 221.63 243.79 259.98 277.47 305.08 337.79 373.19 385.68 406.93 417.78 430.32 442.22 463.74 476.70 508.11 520.38 557.33 582.71 599.35 623.34 646.98 658.11 670.89 678.50 764.15 773.85 812.99 848.90 879.73 966.99 974.07 1002.28 1019.00 1077.02 1084.21 1130.44 1151.28 1210.26 1212.22 1239.77 1263.90 1266.50 1269.71 1292.95 1309.66 1338.91 1355.73 1361.61 1367.50 1370.95 1381.27 1394.48 1394.77 1398.98 1432.29 1434.55 1490.23 1540.79 1577.70 1589.30 1593.51 1600.14 1604.38 1608.74 1614.53 1616.66 1623.50 1633.18 1653.12 1681.10 1710.70 1725.70 1731.61 1737.47 1782.17 1782.56 1783.42 1812.84 1832.66 1853.53 1862.09 1863.28 1865.99 1898.72 1900.24 1905.37 1924.00 1930.07 1987.10 2024.82 2043.77 2052.28 2052.32 2052.62 2067.58 2088.37 2096.53 2106.74 2123.17 2134.64 2171.36 2177.73 2210.00 2217.26 2226.97 2234.10 2268.28 2273.19 2281.66 2287.84 2296.49 2321.19 2329.05 2341.91 2342.33 2345.08 2360.92 2361.14 2363.14 2394.69 2395.20 2402.59 2410.37 2436.67 2537.45 2546.68 2591.40 2600.88 2621.90 2809.37 2880.06 2887.13 4631.35 4640.34 4640.81 4704.46 4704.84 4708.88 4716.92 4719.56 4728.16 4735.49 4745.67 4745.71 4746.69 4748.98 4754.96 4779.63 4787.53 4805.27 4809.11 4837.56 4844.10 4889.37 4891.42 4911.40 4915.09 4917.08 4920.54 5163.07 5365.61 0.550250 0.581235 0.582180 0.482002 -4036.429460 -4036.398474 -4036.397530 -4036.497707 3.359953D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE CCOC(=O)c1ccc(cc1)[C@@H]2[C@@H]([C@@H]([NH2+][C@@H]2C(=O)OCC)c3ccc(cc3)Br)C(=O)OCC C04203113 RHF 6-31G(d) (6D,10F) C1 518.117824 |X|Y|Z| 63.170050 36.493372 139.896969 68.576899 17 6 7 16 1 |36.858105| |12.592810|36.858105| |8.020810|13.291750|73.516695| |5.276431|8.103183|25.730092|36.858105| |4.603636|7.150278|15.280057|16.023501|73.516695| |4.052661|5.169073|14.430188|12.718602|14.331147|36.858105| |3.183803|3.951528|9.385557|7.699584|12.081521|13.741161|36.858105| |2.684925|3.144092|7.135063|5.073333|8.091340|7.938433|13.771361|36.858105| |2.653809|2.981084|6.805196|4.441523|6.757074|6.823221|7.896798|13.705197|36.858105| |3.104753|3.420608|8.184741|5.019742|7.104305|7.919946|6.876852|7.954007|13.670881|36.858105| |3.966031|4.551814|12.297509|7.529737|9.377461|13.721251|7.948661|6.894198|7.901878|13.764017|36.858105| |2.206303|2.410981|5.225793|3.279561|5.217166|4.417209|5.036905|7.642944|12.513508|7.410352|4.971016|36.858105| |2.061104|2.275682|4.847357|3.098375|5.084241|4.057502|4.932394|7.679861|9.089002|5.611251|4.230483|17.628147|0.500000| |2.047962|2.200630|4.672056|2.859415|4.592264|3.659299|3.997901|5.349846|7.248857|5.665023|4.124571|12.182755|0.249926|36.858105| |1.973024|2.140756|4.495850|2.790794|4.572768|3.509859|3.966431|5.263050|6.224793|4.797795|3.754929|8.709755|0.229774|17.647194|0.500000| |1.801985|1.905476|3.950957|2.372888|3.863780|2.910930|3.124859|3.958973|4.985837|4.228725|3.252728|7.883102|0.191146|12.374469|0.243608|36.858105| |1.706212|1.817768|3.738981|2.271149|3.754813|2.761613|3.045315|3.891083|4.617235|3.770889|2.986830|7.271906|0.208541|8.959130|0.218781|17.601884|0.500000| |1.879851|1.969683|4.108569|2.434662|3.911103|3.000024|3.129773|3.906726|5.163565|4.632642|3.468770|7.853489|0.174683|8.151167|0.160622|12.681405|0.256280|53.358707| |1.969011|2.037897|4.266667|2.483114|3.937212|3.050096|3.073052|3.720345|5.011448|4.911731|3.650600|6.723502|0.144175|7.334478|0.145256|9.143333|0.181091|25.506520|0.500000| |1.737032|1.808161|3.716240|2.187595|3.550918|2.630932|2.737407|3.323271|4.148673|3.800526|2.987122|5.771337|0.141557|5.838293|0.127940|9.030467|0.222092|25.705352|0.324184|0.500000| |2.054444|2.192072|4.658294|2.821984|4.503057|3.606201|3.859434|5.089807|7.160621|5.843181|4.161211|12.108223|0.248979|7.684765|0.157322|7.963083|0.204770|17.351695|0.258681|0.251689|36.858105| |1.901866|2.037606|4.259590|2.600117|4.238981|3.239026|3.558868|4.632721|5.754663|4.631141|3.559978|8.742889|0.240111|6.033948|0.137424|6.753382|0.204540|12.414368|0.183369|0.230477|17.634984|0.500000| |2.220732|2.334133|4.988705|2.940214|4.601551|3.713469|3.724138|4.521466|6.203938|6.157502|4.496748|7.106175|0.157002|5.178085|0.113905|5.144988|0.130622|10.617000|0.214981|0.187309|12.521688|0.250704|36.858105| |2.198235|2.254293|4.763560|2.720293|4.238988|3.329383|3.212997|3.717387|4.935021|5.393499|4.125145|5.425628|0.121746|4.588251|0.101660|4.716448|0.115125|9.795127|0.235293|0.181961|8.042686|0.172603|16.020885|73.516695| |2.310250|2.462973|5.270910|3.151246|4.959361|3.963330|4.014125|4.748366|5.956095|5.798396|4.596901|5.987432|0.146179|4.224698|0.099035|4.048778|0.108815|7.239196|0.141738|0.135370|8.188234|0.211224|14.711619|15.201343|73.516695| |2.434942|2.545731|5.371057|3.098387|4.857486|3.695402|3.537171|3.833386|4.490685|4.833975|4.283310|4.216646|0.105537|3.286752|0.079425|3.162805|0.084506|5.412374|0.111513|0.105033|5.153454|0.135465|8.078420|12.407572|23.392523|36.858105| |2.433837|2.595386|5.374550|3.160195|5.089572|3.632330|3.553827|3.697784|3.955544|4.068617|3.884498|3.611429|0.095565|2.833874|0.070990|2.698132|0.074108|4.350736|0.087358|0.085189|4.074130|0.113509|5.288743|8.080095|14.218608|12.607671|36.858105| |1.644886|1.715726|3.493079|2.062833|3.384951|2.447548|2.570104|3.084312|3.684344|3.345665|2.715428|4.924596|0.125228|7.172031|0.174922|12.587839|0.250581|10.224335|0.190814|0.189632|5.025988|0.125885|3.864281|6.783331|5.597092|2.614093|2.259776|36.858105| |1.502226|1.572741|3.160457|1.876675|3.129369|2.187748|2.329843|2.759480|3.127463|2.804613|2.356559|4.016173|0.109518|5.430144|0.152120|7.684145|0.208336|6.986380|0.128558|0.138079|3.951096|0.105329|3.118454|5.385638|4.744208|2.254724|2.006471|13.694144|36.858105| |1.388946|1.441624|2.861345|1.681538|2.817343|1.921859|2.018592|2.322806|2.585796|2.389709|2.061761|3.138822|0.085317|4.011506|0.112999|5.052703|0.135426|5.316098|0.103050|0.108108|3.119082|0.083505|2.606588|4.607657|4.031430|1.971418|1.768349|7.889533|13.781778|36.858105| |1.386026|1.422636|2.815307|1.632892|2.719035|1.853706|1.909302|2.163814|2.435858|2.322154|2.015209|2.882535|0.076240|3.628208|0.098467|4.442388|0.112632|5.048507|0.102915|0.103369|2.924030|0.076800|2.536027|4.618550|3.889829|1.933928|1.718531|6.860375|7.981789|13.765899|36.858105| |1.493294|1.523195|3.036924|1.747552|2.876086|1.999361|2.030165|2.304206|2.665360|2.595439|2.220801|3.159115|0.080768|4.017630|0.103551|4.980215|0.117770|5.927264|0.127307|0.120232|3.279571|0.083583|2.884972|5.402055|4.311389|2.142972|1.866732|7.908004|6.893747|7.926741|13.772661|36.858105| |1.637495|1.681231|3.403757|1.971000|3.212550|2.305636|2.349431|2.730502|3.273130|3.155939|2.604241|4.060116|0.100404|5.450447|0.131350|7.425661|0.156807|8.558445|0.188099|0.165801|4.289155|0.105380|3.627691|6.784822|5.216092|2.520579|2.152771|13.695274|7.954032|6.864049|7.955846|13.760275|36.858105| |1.242985|1.266769|2.470406|1.422201|2.386873|1.582069|1.617823|1.791710|1.971783|1.907161|1.701076|2.245499|0.060082|2.686070|0.074035|3.085566|0.080852|3.715208|0.076420|0.076783|2.272035|0.060499|2.042160|3.737115|3.211658|1.635761|1.474852|4.085570|4.613044|6.710522|10.101069|6.711891|4.607076|2539.412838| |2.214967|2.338057|4.997722|2.963463|4.650293|3.753326|3.801457|4.647927|6.340036|6.128479|4.493050|7.407656|0.154796|12.550731|0.248038|7.569393|0.154381|8.770664|0.199952|0.135431|5.763885|0.124881|4.724959|8.170734|6.796250|3.154998|2.677684|6.176512|4.607019|3.723560|3.621558|4.234362|5.707697|92.800166|36.858105| |2.235830|2.307610|4.912476|2.825908|4.389280|3.510055|3.404840|3.998494|5.464182|5.938962|4.383477|6.136281|0.129127|8.028570|0.164371|6.625734|0.135425|9.312761|0.253217|0.145609|5.735282|0.121642|5.192090|9.820614|7.112412|3.377184|2.767376|5.791608|4.181881|3.509094|3.586804|4.440653|6.118818|92.793403|15.882495|73.516695| |2.267834|2.407886|5.113071|3.040599|4.808571|3.766226|3.803566|4.429023|5.425944|5.324647|4.325602|5.570874|0.129053|8.103504|0.220263|5.383706|0.122225|6.154120|0.134511|0.102581|4.272934|0.099097|3.673032|6.348101|5.630490|2.711753|2.382295|4.884924|4.064256|3.448539|3.349227|3.752554|4.598704|89.213993|14.729011|15.277207|73.516695| |2.380048|2.465576|5.164586|2.952345|4.636901|3.488167|3.327588|3.599136|4.232456|4.584788|4.058079|4.083019|0.097182|5.132914|0.137624|4.000022|0.093596|4.938142|0.111594|0.085905|3.423288|0.080974|3.163587|5.692555|4.931229|2.480720|2.187111|3.886147|3.322566|2.997986|3.047413|3.454523|3.986597|85.049481|8.082516|12.543156|23.439536|36.858105| |2.318825|2.423667|4.949369|2.850706|4.595477|3.228666|3.126245|3.260478|3.550691|3.706934|3.511541|3.364942|0.084371|4.050278|0.117153|3.250631|0.079837|3.958222|0.086062|0.070781|2.810727|0.068901|2.597352|4.595386|4.193811|2.139109|1.942061|3.202665|2.915969|2.700796|2.704137|2.920835|3.204353|78.546146|5.290564|8.130304|14.227470|12.603972|36.858105| |17.566933|8.913381|10.198969|4.277437|7.093367|3.361254|2.762674|2.361453|2.317167|2.642658|3.248121|1.965778|0.051519|1.838764|0.049530|1.635787|0.043265|2.311588|0.049187|0.043920|1.841962|0.047806|1.976830|3.483120|3.655636|2.167638|2.187944|1.505760|1.386470|1.290111|1.287944|1.379806|1.500223|39.639264|1.973029|3.533268|3.599546|2.124444|2.096366|0.500000| |17.574225|8.849605|12.846728|4.900000|7.444144|3.974943|3.117601|2.672329|2.687183|3.187661|4.042492|2.242771|0.057679|2.118780|0.056665|1.855087|0.048380|2.620601|0.056500|0.049212|2.077500|0.052946|2.232570|3.969369|4.049411|2.370808|2.314668|1.705537|1.552629|1.439758|1.444286|1.562363|1.710469|44.088510|2.338824|4.213488|4.308484|2.605757|2.549114|0.300983|0.500000| |17.574017|8.849291|12.846157|4.899251|7.443528|3.974083|3.116765|2.672005|2.686809|3.187352|4.042702|2.241014|0.057840|2.057807|0.054450|1.826970|0.047996|2.634333|0.056518|0.049849|2.125212|0.054609|2.346639|4.158397|4.376161|2.660858|2.660264|1.661812|1.508753|1.392580|1.393230|1.508668|1.660169|42.425607|2.220340|4.041124|3.966315|2.324817|2.216941|0.300986|0.300567|0.500000| |8.805832|17.631574|16.511762|7.277206|12.870788|4.753649|3.810932|3.031887|2.828590|3.163475|4.084659|2.311304|0.061114|2.143679|0.058740|1.849001|0.049121|2.560647|0.053854|0.047959|2.074257|0.053732|2.163524|3.707384|4.014675|2.289650|2.325155|1.676265|1.549190|1.425088|1.402900|1.492594|1.638026|42.678147|2.276685|3.942123|4.248627|2.459961|2.484249|0.211512|0.211074|0.172893|0.500000| |8.805713|17.631260|16.511255|7.275129|12.868469|4.752294|3.809493|3.031460|2.828182|3.163197|4.084917|2.309407|0.061306|2.080945|0.056296|1.821317|0.048722|2.573387|0.053870|0.048545|2.121474|0.055463|2.266226|3.859078|4.330427|2.545911|2.673787|1.634929|1.505837|1.379542|1.356223|1.445820|1.593932|41.172577|2.167548|3.800654|3.921130|2.220673|2.175318|0.211511|0.172895|0.211064|0.302271|0.500000| |3.046580|3.867426|8.605258|7.204738|13.626974|8.954330|17.756075|8.902969|5.625618|4.957058|5.660274|4.112675|0.117118|3.404998|0.096475|2.752517|0.075891|3.702892|0.073625|0.067393|3.273909|0.086546|3.142648|4.884130|6.062270|3.076325|3.197765|2.312277|2.141708|1.875292|1.766621|1.854664|2.112766|51.575831|3.208246|5.129278|5.808181|2.907866|2.826659|0.074962|0.081669|0.081648|0.106572|0.106528|0.500000| |2.363222|2.744059|5.950003|4.142914|7.019777|5.657100|8.967320|17.711647|8.892612|5.644642|4.962668|7.137845|0.240225|5.173206|0.150125|3.963266|0.113476|5.127356|0.096431|0.090593|4.833279|0.129988|4.071378|5.947513|7.600525|3.434286|3.387577|3.083186|2.835847|2.370009|2.166475|2.265252|2.663447|61.057416|4.197441|6.348806|7.155725|3.238769|3.004222|0.058791|0.065133|0.065134|0.074551|0.074553|0.215809|0.500000| |2.934951|3.096075|7.121011|4.100476|5.944601|5.658779|4.956871|5.638900|8.846192|17.748952|8.995867|6.774401|0.138785|5.695763|0.127415|4.474861|0.106547|7.071547|0.165124|0.116940|6.142549|0.129338|7.005672|12.038591|10.456433|5.003812|3.932696|3.594489|2.919841|2.498203|2.474842|2.839396|3.511289|68.636897|6.779614|13.446826|9.686023|4.859599|3.711773|0.069856|0.084898|0.084878|0.079370|0.079354|0.107644|0.123680|0.500000| |4.673462|5.056264|13.933190|6.938667|8.620128|8.921256|5.654621|4.966513|5.635611|8.939535|17.762247|4.054345|0.096834|3.550044|0.089762|2.914499|0.073910|4.278437|0.093964|0.076548|3.616384|0.086672|4.051106|6.986511|7.273150|4.065218|3.654535|2.509870|2.180722|1.939268|1.923793|2.133798|2.470093|55.934669|4.012392|7.302207|6.933510|3.901982|3.381823|0.102559|0.135586|0.135655|0.121378|0.121428|0.124485|0.107748|0.217864|0.500000| |2.745735|2.830806|6.082774|3.406125|5.189344|4.067236|3.680145|3.865003|4.619123|5.476568|4.995105|4.110012|0.099927|3.288872|0.079232|3.080200|0.080378|5.193986|0.111489|0.098531|4.751565|0.118420|7.292873|12.527626|16.491914|17.646900|8.797809|2.579940|2.209761|1.945149|1.927708|2.155075|2.531711|55.642967|3.302018|6.408884|5.078500|2.666503|2.278017|0.066862|0.074585|0.084659|0.069680|0.077626|0.087476|0.093186|0.163060|0.137312|0.500000| |2.199670|2.259707|4.654912|2.649565|4.213337|3.076834|2.964489|3.216825|3.742920|3.979116|3.532709|3.710690|0.093752|3.027263|0.073233|3.034246|0.081172|5.283638|0.109478|0.106807|4.717782|0.126928|7.234086|12.559246|16.480417|17.643123|8.788495|2.564675|2.213954|1.952881|1.931275|2.147899|2.508601|55.859878|2.919560|5.651264|4.450665|2.311374|1.994051|0.055047|0.059850|0.066708|0.056927|0.062692|0.073006|0.082059|0.118299|0.095297|0.301291|0.500000| |2.460050|2.575566|5.207083|2.976748|4.821084|3.275269|3.121047|3.145028|3.325317|3.517110|3.488089|3.035700|0.080270|2.478919|0.062657|2.373355|0.064857|3.778276|0.077045|0.074709|3.370860|0.093103|4.281604|6.996676|10.180059|8.940229|17.572879|2.036476|1.820392|1.625832|1.592842|1.729054|1.967994|47.087887|2.393640|4.434854|3.839068|2.021679|1.809476|0.061879|0.064380|0.075894|0.063542|0.074454|0.079394|0.080270|0.095961|0.094660|0.211333|0.211130|0.500000| |2.157262|2.306773|4.695742|2.797372|4.615963|3.193161|3.250256|3.461366|3.632279|3.554677|3.330628|3.477586|0.095037|2.738334|0.069200|2.667465|0.074857|4.277306|0.083778|0.085488|3.995590|0.117439|4.907126|7.378902|12.818949|8.854061|17.584409|2.234375|2.006135|1.765722|1.702991|1.833244|2.105758|49.787394|2.524143|4.588414|3.992106|2.043008|1.827075|0.054551|0.057210|0.064582|0.058344|0.066173|0.082980|0.091477|0.095382|0.086137|0.172847|0.210969|0.301085|0.500000| |2.666546|2.927383|6.181585|3.743081|6.009711|4.354713|4.281002|4.318096|4.422500|4.510627|4.475747|3.803882|0.101574|2.930039|0.074254|2.700423|0.074275|4.232482|0.084740|0.081109|4.019754|0.110669|4.930904|7.379750|12.840465|8.862556|17.587060|2.245802|2.004023|1.760801|1.701340|1.838670|2.120661|49.653765|2.761926|4.972002|4.430630|2.278046|2.039642|0.066018|0.069709|0.080495|0.072383|0.084605|0.106526|0.107838|0.114836|0.113627|0.211384|0.172839|0.300855|0.300385|0.500000| |1.484276|1.568119|3.148546|1.891357|3.181529|2.207261|2.398924|2.871924|3.173623|2.763185|2.334181|4.117238|0.118276|5.362330|0.160163|7.170495|0.229882|6.498612|0.115296|0.128104|3.934928|0.108659|3.043294|5.108742|4.736771|2.232828|2.018128|8.880152|17.701939|8.983902|5.677093|4.961746|5.643207|130.716922|4.240820|6.645674|6.798346|3.082671|2.775375|0.038112|0.042379|0.041312|0.043018|0.041910|0.061798|0.084162|0.078020|0.059356|0.060210|0.060464|0.050609|0.056531|0.056350|0.500000| |1.306288|1.358470|2.676302|1.576562|2.664438|1.784211|1.884118|2.148813|2.339491|2.154625|1.887747|2.787577|0.077400|3.438972|0.099515|4.127910|0.115751|4.475485|0.086262|0.091554|2.743126|0.074789|2.318185|4.065238|3.658615|1.803928|1.640926|5.625987|8.919129|17.760563|8.916908|5.644135|4.950715|219.933124|3.169473|5.272870|5.366659|2.659600|2.470186|0.033865|0.037516|0.036281|0.037450|0.036229|0.049171|0.061532|0.061771|0.049355|0.049294|0.049610|0.042062|0.045732|0.045503|0.216728|0.500000| |1.470961|1.485712|2.944700|1.676181|2.753937|1.897601|1.900637|2.122541|2.445721|2.438245|2.117189|2.812174|0.071570|3.445093|0.088561|4.056725|0.097195|5.150905|0.114032|0.105207|2.941450|0.074862|2.689429|5.144333|4.047583|2.052708|1.786411|5.636010|4.966061|5.645731|8.926655|17.759309|8.926602|220.212509|3.764084|7.279928|6.042470|3.284930|2.788425|0.037840|0.042896|0.041363|0.040388|0.039107|0.048320|0.057457|0.074743|0.057326|0.057817|0.057537|0.046386|0.048503|0.048695|0.107729|0.124215|0.500000| |1.744315|1.776995|3.620217|2.073960|3.341061|2.436672|2.434393|2.809158|3.453967|3.459036|2.821854|4.185797|0.099766|5.381196|0.123579|6.756302|0.140036|9.229703|0.234798|0.174013|4.568318|0.108073|4.056003|7.968077|5.665102|2.758322|2.303034|8.837156|5.634772|4.951023|5.680490|9.016709|17.754347|130.946197|6.169525|13.569584|8.427912|4.248862|3.277900|0.044156|0.050789|0.049433|0.047746|0.046620|0.060152|0.074465|0.111167|0.075207|0.078061|0.076562|0.058587|0.061826|0.062649|0.123544|0.107549|0.218147|0.500000| |2.171216|2.211487|4.546930|2.567412|4.071759|2.977089|2.851408|3.097568|3.649951|3.928416|3.458354|3.693180|0.088500|4.714327|0.123816|3.982595|0.091962|4.938888|0.113933|0.087323|3.267150|0.077704|3.038168|5.613549|4.667789|2.365315|2.069143|4.122368|3.484996|3.227269|3.406547|3.983746|4.508473|94.758197|7.258524|12.726951|16.488286|17.642741|8.794175|0.054350|0.065842|0.059460|0.060968|0.055823|0.070117|0.078863|0.119957|0.094202|0.070298|0.062292|0.053432|0.053987|0.059000|0.087068|0.078402|0.107314|0.135390|0.500000| |2.705766|2.776011|5.936800|3.312800|5.058866|3.938498|3.571619|3.757529|4.502047|5.326640|4.832401|4.085214|0.095495|4.732157|0.121932|3.711613|0.087507|4.858234|0.111855|0.084523|3.478527|0.081396|3.358760|6.116631|5.263643|2.690329|2.351905|3.485212|2.952939|2.660614|2.715716|3.103891|3.602730|76.864282|7.258355|12.650264|16.497949|17.643111|8.796733|0.066015|0.083450|0.073665|0.076028|0.068446|0.085136|0.090895|0.161098|0.133491|0.082201|0.068997|0.060609|0.060101|0.068303|0.076742|0.065929|0.083339|0.110279|0.301408|0.500000| |2.499206|2.673963|5.509911|3.237366|5.234298|3.663668|3.564246|3.627389|3.805746|3.933056|3.850972|3.454156|0.087709|3.986853|0.117724|3.117321|0.078080|3.819790|0.081725|0.068191|2.807571|0.069256|2.595598|4.506984|4.272680|2.178112|2.004076|2.964694|2.724382|2.489923|2.444615|2.607292|2.885102|71.266410|4.921896|7.407491|12.839733|8.857672|17.586036|0.062470|0.076161|0.065507|0.077210|0.066220|0.089865|0.092122|0.104680|0.101101|0.064430|0.055757|0.051747|0.052255|0.059238|0.073700|0.063952|0.068703|0.081762|0.172856|0.211209|0.500000| |2.059054|2.157694|4.343752|2.530207|4.159116|2.850951|2.845767|3.021541|3.246381|3.256039|3.037718|3.205872|0.082164|3.974874|0.119383|3.272340|0.081186|3.857802|0.082507|0.069625|2.691922|0.066918|2.437939|4.292576|3.933491|1.993800|1.819667|3.328359|3.125951|2.936672|2.913478|3.068051|3.292376|84.860509|4.920161|7.420658|12.829390|8.855396|17.585163|0.052297|0.062049|0.054889|0.061540|0.054568|0.072644|0.079617|0.090402|0.080424|0.058173|0.052018|0.047045|0.048068|0.052837|0.082711|0.075168|0.080427|0.090576|0.211113|0.172858|0.300505|0.500000| |2.336111|2.392165|4.788957|2.687758|4.341949|2.945515|2.788062|2.836771|3.064654|3.281089|3.205067|2.886859|0.072782|3.356513|0.095066|2.810406|0.069597|3.516784|0.077046|0.063919|2.494646|0.061641|2.363630|4.242743|3.844673|1.999862|1.821717|2.809210|2.573683|2.437549|2.487186|2.692250|2.883444|74.319940|4.281853|7.040860|10.184378|8.935155|17.571679|0.059035|0.072373|0.061733|0.068400|0.059254|0.070819|0.072589|0.092520|0.088605|0.059514|0.052120|0.047654|0.047492|0.052925|0.067738|0.062376|0.073077|0.082808|0.211251|0.211312|0.300909|0.301011|0.500000| 4034.690360 -17416.755373 5697.653116 -285.938539 -7970.350436 3931.156142 -4039.194293 2.001116 4062000000000015 44F2877EAE63ACB3 4471A2415CAECC53 418ADBA000000001 37C16C2614EA0801 42A4C55A77B2AFFF