Version2.4 2021-05-25T23:15:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cn1c(c(c(=O)n(c1=S)C)[C@H](c2ccccc2[N+](=O)[O-])C3C(=O)N(C(=S)N(C3=O)C)C)[O-] C19825069 RHF 6-31G(d) (6D,7F) Cn1c(c(c(=O)n(c1=S)C)[C@H](c2ccccc2[N+](=O)[O-])C3C(=O)N(C(=S)N(C3=O)C)C)[O-] C01[X(C19H18N5O6S2)] 144 C1 524 CN1C(=S)N(C)C(=O)C(C1=O)[C@H](c1c([O-])n(C)c(=S)n(c1=O)C)c1ccccc1[N+](=O)[O-] CN1C(=S)N(C)C(=O)C(C1=O)[C@H](c1c([O-])n(C)c(=S)n(c1=O)C)c1ccccc1[N+](=O)[O-] CN1C(=C([C@@H](C2C(=O)N(C)C(=S)N(C)C2=O)c3ccccc3[N+]([O-])=O)C(=O)N(C)C1=S)[O-] InChIKey=RSBWMLMEFYCVQI-LLVKDONJSA-M InChI=1S/C19H19N5O6S2/c1-20-14(25)12(15(26)21(2)18(20)31)11(9-7-5-6-8-10(9)24(29)30)13-16(27)22(3)19(32)23(4)17(13)28/h5-8,11-12,27H,1-4H3/p-1/t11-/m1/s1 InChI=1/C19H19N5O6S2/c1-20-14(25)12(15(26)21(2)18(20)31)11(9-7-5-6-8-10(9)24(29)30)13-16(27)22(3)19(32)23(4)17(13)28/h5-8,11-12,27H,1-4H3/p-1/t11-/m1/s1/fC19H18N5O6S2/h27h/q-1 Cn1c(c(c(=O)n(c1=S)C)[C@H](c2ccccc2[N+](=O)[O-])C3C(=O)N(C(=S)N(C3=O)C)C)[O-] C01[X(C19H18N5O6S2)] 144 C01 524 CN1C(=S)N(C)C(=O)C(C1=O)[C@H](c1c([O-])n(C)c(=S)n(c1=O)C)c1ccccc1[N+](=O)[O-] CN1[C](S)N(C)C(=O)[C@H](C1=O)[C@H]([C]1[C](=O)[N]([C]([N]([C]1[O])C)S)C)[C]1[CH][CH][CH][CH][C]1[N]([O])[O] CN1[C]([O])[C]([C@H]([C]2[CH][CH][CH][CH][C]2N([O])[O])C3C(=O)N(C)[C](S)N(C)C3=O)C(=O)N(C)[C]1S InChIKey=XFJZVVGBSPBPIY-LLVKDONJSA-N InChI=1S/C19H20N5O6S2/c1-20-14(25)12(15(26)21(2)18(20)31)11(9-7-5-6-8-10(9)24(29)30)13-16(27)22(3)19(32)23(4)17(13)28/h5-8,11-12,31-32H,1-4H3/t11-/m1/s1 InChI=1/C19H20N5O6S2/c1-20-14(25)12(15(26)21(2)18(20)31)11(9-7-5-6-8-10(9)24(29)30)13-16(27)22(3)19(32)23(4)17(13)28/h5-8,11-12,31-32H,1-4H3/t11-/m1/s1 3885.5544354937 -2246.4328137 1-A 13199.8023 124 400 524 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335.8319 342.6262 356.5909 385.7997 392.3275 410.6972 430.1853 452.4191 455.1710 464.2665 467.2761 474.5087 479.4863 490.7511 496.4444 532.2746 574.1140 606.7160 615.7689 628.6625 664.2290 700.3344 724.4207 730.4574 736.1701 745.5606 789.1566 790.4561 810.8801 829.9772 833.3372 840.8449 857.3285 863.8293 910.5240 918.1635 939.1554 964.5922 970.4724 986.8296 1003.8107 1013.1219 1089.4689 1095.3953 1122.4517 1140.6349 1147.4459 1150.8275 1154.2613 1185.8871 1227.3514 1230.5584 1231.7927 1254.8623 1266.9890 1268.7077 1269.1061 1269.8191 1272.6919 1290.5123 1303.8384 1322.8640 1333.1044 1363.6062 1383.1926 1393.3849 1409.3970 1418.2004 1434.2564 1454.4469 1486.2376 1503.6233 1529.2715 1538.3333 1544.8649 1565.9369 1571.4425 1609.6366 1611.9522 1613.5676 1624.7400 1639.2113 1646.2988 1647.5792 1651.8910 1652.3382 1652.4976 1654.0015 1655.7381 1656.2619 1656.6248 1662.8446 1768.1813 1799.4885 1804.0021 1845.3787 1871.1586 1990.0624 2024.4868 3260.9746 3261.5258 3265.0831 3274.6737 3324.8409 3326.8902 3351.1675 3351.9250 3355.9312 3360.1120 3373.8855 3380.5091 3392.7537 3404.8173 3405.2449 3408.0941 3422.8160 3429.9173 8.2189 7.6044 5.5406 8.3552 7.5267 4.9093 4.8642 6.1968 4.3005 6.7241 5.9265 8.1462 6.4076 5.7040 5.8144 1.8547 2.9265 2.1185 1.0796 2.0111 1.5180 2.5115 3.1626 4.8346 6.2200 5.6151 9.9824 7.9099 4.9450 6.6182 5.4443 4.4599 4.4662 7.7212 4.1943 4.3162 5.3395 6.6139 6.0037 4.8209 7.5473 7.6768 6.5357 5.7821 7.8876 5.6450 5.9239 6.3387 6.4591 7.1349 4.9523 9.3388 9.2647 6.7981 5.5003 6.3839 3.1885 6.9197 5.3111 3.0814 4.4263 3.3863 5.2781 4.7580 6.8556 5.4486 4.6636 4.6057 1.5698 3.9144 1.5845 4.0802 3.0555 2.9211 1.6225 2.6366 3.2501 1.7489 1.8425 2.5451 1.8282 1.3068 1.2864 1.2826 1.6205 2.2533 4.6069 2.2033 1.6522 1.8638 2.1414 5.6801 2.8158 2.6383 5.9038 1.7074 1.5010 2.5998 1.9821 3.8461 1.3832 3.4869 2.0303 3.2291 1.3365 1.2014 2.0639 1.4178 1.0705 1.0545 1.0788 1.6434 1.0959 1.3766 3.3603 1.0616 1.1671 1.1604 2.6511 5.6222 8.3770 6.8903 10.6662 11.1523 11.3487 12.0074 1.0374 1.0378 1.0393 1.0362 1.1067 1.1057 1.1022 1.1036 1.0872 1.0886 1.0842 1.0953 1.1062 1.1031 1.1006 1.1003 1.0944 1.0946 0.0015 0.0030 0.0028 0.0080 0.0074 0.0087 0.0135 0.0224 0.0198 0.0353 0.0335 0.0608 0.0763 0.0735 0.0969 0.0337 0.0540 0.0403 0.0227 0.0438 0.0347 0.0838 0.1075 0.1900 0.3361 0.3485 0.6470 0.5256 0.3420 0.4958 0.4774 0.4045 0.4438 0.8419 0.5058 0.5269 0.6781 0.8509 0.7964 0.6530 1.0709 1.1147 1.0910 1.1229 1.7107 1.2611 1.3794 1.6477 1.8665 2.2061 1.5568 2.9819 3.0342 2.4944 2.0248 2.4731 1.2941 2.8312 2.2124 1.3344 1.9460 1.6541 2.6216 2.4726 3.7582 3.0234 2.6758 2.7343 0.9493 2.7374 1.1202 3.0288 2.3422 2.2660 1.2660 2.0697 2.6930 1.5523 1.6438 2.2753 1.6961 1.2360 1.2200 1.2171 1.5396 2.1504 4.5204 2.2069 1.7035 1.9515 2.3460 6.4029 3.2210 3.0878 6.9961 2.0693 1.8708 3.3835 2.6403 5.2996 1.9285 4.9031 2.9333 4.6982 2.0402 1.8392 3.1660 2.2052 1.6948 1.6839 1.7254 2.6421 1.7629 2.2149 5.4163 1.7146 1.8864 1.8764 4.3190 10.3564 15.9823 13.2118 21.4009 23.0056 26.4807 28.9954 6.4999 6.5046 6.5283 6.5465 7.2080 7.2104 7.2932 7.3056 7.2142 7.2417 7.2717 7.3747 7.5020 7.5347 7.5191 7.5295 7.5544 7.5873 0.2430 0.3357 0.1924 0.8502 0.1778 0.6765 1.7746 0.5077 12.3317 2.0629 7.2385 6.0529 2.4247 1.2371 7.3373 0.8579 2.5664 1.0180 0.0909 2.1431 5.3496 0.7612 1.3112 4.2592 4.4544 2.7527 4.5103 4.6910 0.4625 10.4323 11.5303 1.1490 18.0320 2.4213 2.5071 4.7327 3.0887 15.4396 14.2856 9.5634 32.7861 106.5509 43.6173 9.1181 4.2047 44.9681 1.2254 1.9143 2.6357 6.7885 3.5011 9.5023 7.6589 27.3484 0.9544 3.8938 60.8383 5.9363 8.2460 63.2095 38.2081 4.2203 27.3090 8.0119 21.7914 26.8643 2.1745 6.3825 0.4739 43.0721 4.1872 15.1015 3.7447 6.7159 6.0614 9.8786 2.3494 514.8752 175.9514 52.3119 69.8350 3.0158 0.7388 1.5406 14.9239 3.2078 33.8893 7.3292 24.6545 24.1554 0.0075 29.4596 94.4883 12.5038 13.5743 20.6868 7.0499 35.0385 127.9725 1166.6696 111.9605 367.7659 264.2186 728.5624 24.0262 4.2260 25.2070 110.5310 3.9444 29.8552 84.2418 69.3104 9.8459 56.3541 174.0122 17.0657 41.9642 186.1785 12.2584 46.5112 1026.5418 332.3429 493.9672 70.7631 409.9270 306.8344 32.8867 34.9941 26.6953 23.5272 13.9245 30.1753 0.6728 25.5944 4.1523 11.4361 1.6246 40.8428 3.8395 3.1191 2.3174 2.6002 3.2549 14.9340 1.6700 2.6490 2.8803 2.2791 3.4295 2.4108 0.6371 0.6734 0.6459 0.5372 0.7489 0.9979 1.7838 1.2070 2.0068 1.5272 0.2056 0.4575 0.6397 0.7741 0.5492 0.3399 0.9909 5.2678 0.4578 0.3507 1.3863 0.9660 0.2307 2.5508 1.3452 2.1557 3.3812 2.4318 0.5746 1.0033 0.4718 0.7668 0.8147 1.0508 0.7290 1.0051 8.1798 5.0142 16.9115 1.0935 2.7111 3.7557 2.4531 4.2272 0.5568 1.0746 6.1897 2.2133 2.5422 1.2445 6.3084 1.2284 1.9649 1.8803 4.0347 0.8000 10.0502 3.2592 10.9836 4.5285 3.3816 1.5817 2.7633 11.2533 1.9324 4.0144 12.8053 11.9109 5.1662 6.1981 1.7794 5.3824 6.9903 9.3618 6.3297 2.9588 3.2804 2.8792 2.2443 9.2560 4.6442 14.0152 3.2349 4.9408 9.2159 0.9885 20.1796 2.3257 3.7649 2.9457 2.2535 4.8017 18.8662 16.4280 14.2816 19.0776 26.0386 71.4232 3.3884 2.4906 1.8456 1.7970 11.9021 8.7860 5.4921 11.8884 30.7767 13.6614 34.3634 12.4048 23.2135 9.2549 13.6366 16.0530 21.3634 32.4595 8.1941 9.0296 15.7321 30.1012 15.1798 163.8113 96.7256 96.1695 37.9579 57.6293 20.0321 52.4999 39.5041 71.3316 2.2147 191.8109 34.1898 33.3331 30.1810 34.3854 93.5212 60.3563 0.7224 0.7138 0.7366 0.7389 0.6948 0.7434 0.7351 0.7374 0.7455 0.7458 0.7084 0.6010 0.6694 0.6078 0.6307 0.7500 0.7499 0.7375 0.7496 0.7497 0.5780 0.5375 0.2097 0.7447 0.7485 0.7390 0.7337 0.6921 0.6344 0.4181 0.4075 0.5117 0.0730 0.5319 0.7498 0.5736 0.7422 0.6512 0.5340 0.6161 0.7058 0.3867 0.0248 0.2425 0.0710 0.6938 0.6850 0.5421 0.2260 0.3184 0.7475 0.3435 0.5844 0.3355 0.6007 0.7492 0.6011 0.5498 0.3894 0.3991 0.2121 0.3947 0.4273 0.3713 0.3557 0.3244 0.7299 0.7436 0.5484 0.4219 0.5118 0.3416 0.0310 0.2893 0.1300 0.7368 0.3921 0.5124 0.2740 0.7149 0.7322 0.6717 0.7432 0.7497 0.7335 0.1312 0.4900 0.1378 0.1896 0.5457 0.7403 0.0732 0.7483 0.7466 0.7255 0.6578 0.7126 0.4285 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0.6000 0.7710 0.7913 0.8287 0.8164 0.5605 0.4637 0.3441 0.7868 0.4668 0.7349 0.8241 0.8514 0.7921 0.3589 0.8461 0.8570 0.1070 0.8085 0.8571 0.8570 0.2287 0.5115 0.8387 0.8458 0.7481 0.7434 0.4327 0.1761 0.7796 0.0220 0.1450 0.1194 0.8536 0.8443 0.8185 0.8457 0.3473 0.8529 0.0979 0.4107 0.8129 0.7982 0.7627 0.7350 0.3642 0.2629 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 6 7 6 6 6 8 7 6 16 6 6 1 6 6 6 6 6 6 7 8 8 6 6 8 7 6 16 7 6 8 6 6 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 31.97207 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 12.00000 12.00000 15.99491 14.00307 12.00000 31.97207 14.00307 12.00000 15.99491 12.00000 12.00000 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 10460.9891 16816.9268 20577.1754 1.00000 0.00265 -0.00145 -0.00267 0.99983 -0.01809 0.00141 0.01810 0.99984 1 0.00828 0.00515 0.00421 0.17252 0.10732 0.08771 25.52 36.93 42.43 57.98 58.65 78.76 98.69 112.57 127.11 135.82 140.96 161.91 204.60 212.72 242.02 252.81 254.67 258.59 271.64 276.69 283.60 342.45 345.56 371.61 435.73 466.97 477.19 483.19 492.96 513.05 555.08 564.47 590.90 618.94 650.93 654.89 667.98 672.31 682.71 689.87 706.08 714.27 765.82 826.02 872.93 885.95 904.51 955.68 1007.62 1042.28 1050.97 1059.18 1072.70 1135.42 1137.29 1166.68 1194.15 1198.99 1209.79 1233.50 1242.86 1310.04 1321.03 1351.24 1387.83 1396.29 1419.83 1444.26 1457.66 1567.50 1576.03 1614.96 1641.12 1650.92 1655.78 1660.72 1706.23 1765.88 1770.50 1772.27 1805.47 1822.91 1825.39 1825.96 1826.99 1831.12 1856.76 1875.93 1903.31 1918.04 1961.93 1990.11 2004.77 2027.81 2040.47 2063.58 2092.62 2138.36 2163.38 2200.28 2213.32 2222.72 2253.03 2260.96 2315.91 2319.24 2321.56 2337.64 2358.46 2368.66 2370.50 2376.70 2377.35 2377.58 2379.74 2382.24 2382.99 2383.51 2392.46 2544.02 2589.06 2595.56 2655.09 2692.18 2863.26 2912.79 4691.82 4692.61 4697.73 4711.53 4783.70 4786.65 4821.58 4822.67 4828.44 4834.45 4854.27 4863.80 4881.42 4898.77 4899.39 4903.49 4924.67 4934.89 0.401738 0.429526 0.430470 0.340846 -2246.031075 -2246.003288 -2246.002344 -2246.091968 3.006004D-04 MUNgauss RevisionA2.1 retrievium 25-May-2021 DUDE Cn1c(c(c(=O)n(c1=S)C)[C@H](c2ccccc2[N+](=O)[O-])C3C(=O)N(C(=S)N(C3=O)C)C)[O-] C19825069 RHF 6-31G(d) (6D,10F) C1 476.069852 |X|Y|Z| 62.854297 85.336054 44.349260 61.960936 19 6 7 15 4 |36.858105| |13.020809|53.358707| |7.752664|18.236537|36.858105| |5.103981|10.771639|13.529296|36.858105| |4.494884|9.341724|7.775211|13.596576|36.858105| |3.492896|6.495782|5.298758|8.151383|15.593186|73.516695| |5.204840|11.203151|6.874408|7.936342|13.392514|14.952210|53.358707| |7.834647|19.203051|7.795099|6.796453|7.785403|9.629497|19.197371|36.858105| |6.449343|9.741923|4.752699|4.229224|4.749624|6.882535|9.737359|11.196308|388.023441| |3.919099|7.087244|4.499361|5.114317|7.750167|12.730364|17.720537|7.840938|45.896663|36.858105| |3.863140|6.869224|7.697215|12.563293|7.429079|11.455310|6.772897|4.412734|22.509581|3.794972|36.858105| |4.000798|6.735395|7.799775|9.197277|5.664997|8.599841|5.825006|4.081186|21.399268|3.308102|17.740700|0.500000| |3.346121|5.633755|5.645768|7.525226|5.726012|9.730587|5.656842|3.725632|20.014456|3.358061|12.405918|0.249199|36.858105| |3.018310|5.083737|4.614512|6.167032|5.746213|10.930638|5.726735|3.600475|19.783802|3.572121|7.503620|0.155909|13.621054|36.858105| |2.636250|4.234349|3.643640|4.377747|4.201248|7.926310|4.624710|3.018592|17.456698|3.020807|4.985474|0.116425|7.846420|13.823997|36.858105| |2.512458|3.887650|3.352063|3.769275|3.445257|6.204114|3.942398|2.689449|15.871417|2.562901|4.369352|0.109956|6.734786|7.920053|13.718086|36.858105| |2.689717|4.112838|3.684919|4.016694|3.436137|5.950908|3.915020|2.737584|15.977379|2.478063|4.919032|0.131238|7.788751|6.906205|8.005287|13.862302|36.858105| |3.091755|4.870616|4.696066|5.279712|4.152788|6.982674|4.522729|3.147697|17.687097|2.759448|7.357591|0.199774|13.698509|8.069312|6.975846|7.976527|13.702283|36.858105| |3.081770|4.644878|4.491590|4.612244|3.555343|5.839626|4.029048|2.910260|16.649352|2.461679|6.248719|0.207397|7.618513|5.101104|4.548972|5.182195|7.945279|13.029144|53.358707| |2.992703|4.315273|3.980608|3.848927|3.070001|5.015399|3.629562|2.691584|15.817625|2.244101|4.667011|0.150629|5.469957|4.139213|3.939144|4.689189|7.041900|8.368283|21.729099|73.516695| |2.961275|4.475525|4.340823|4.537674|3.492290|5.782702|3.931794|2.820537|16.157874|2.413720|6.482286|0.236106|6.624320|4.529786|3.900320|4.171000|5.622481|8.337887|21.675085|16.047436|73.516695| |3.116463|5.318845|5.118018|7.382053|6.176117|11.324597|5.865511|3.683068|19.846334|3.571482|12.076313|0.246307|7.384296|5.939906|4.230008|3.655375|3.912905|5.197424|6.363644|6.478374|9.401668|36.858105| |2.601535|4.192037|3.882367|4.885868|4.208890|7.826465|4.399129|2.882329|16.354337|2.802653|7.487662|0.191192|6.383612|5.164809|4.027409|3.669749|4.023834|5.219951|6.713686|6.713543|10.655183|12.664332|36.858105| |2.338937|3.725012|3.347580|4.150605|3.753242|7.247684|3.993881|2.605288|15.071928|2.613625|5.915627|0.146779|6.121796|5.459340|4.461842|4.044537|4.283244|5.209869|6.302243|6.427663|9.327661|8.075131|15.987870|73.516695| |2.480669|3.862227|3.524628|4.081928|3.474077|6.197353|3.837250|2.609594|15.140956|2.457034|5.692278|0.169589|4.789708|3.870393|3.212571|3.077417|3.468642|4.383087|6.361985|6.570506|11.050196|7.690237|13.637303|15.010920|53.358707| |2.647789|4.076983|3.697496|4.096526|3.448368|5.934221|3.914228|2.719588|15.817909|2.484313|5.267685|0.167365|4.108631|3.342841|2.786026|2.672141|3.004727|3.764692|5.651963|6.086082|9.670962|6.652566|7.799294|9.639498|18.947581|36.858105| |2.343095|3.448265|2.995751|3.121249|2.696160|4.615326|3.214202|2.298459|13.870055|2.081231|3.715965|0.118397|3.130927|2.630660|2.292441|2.258366|2.541612|3.040996|4.734035|5.419475|7.879596|4.203680|4.793887|6.904388|9.777849|11.381353|388.023441| |3.038263|4.819992|4.395760|4.959111|4.158393|6.972927|4.680779|3.224763|18.309771|2.912393|5.959992|0.183776|4.200828|3.458874|2.806736|2.620713|2.890260|3.637802|5.230362|5.696337|8.359718|7.758808|6.820491|8.521286|11.079719|13.984506|51.188106|53.358707| |3.213271|5.411820|4.981714|6.415699|5.593482|9.631856|5.821805|3.759789|20.533618|3.571719|7.596283|0.197079|4.909411|4.153630|3.213208|2.871725|3.076765|3.894446|5.173764|5.563270|7.791041|12.677827|7.691282|9.543105|9.367352|7.840247|34.177981|18.456148|36.858105| |3.245958|5.527417|4.713517|5.938249|5.911643|10.300875|6.467134|4.057817|22.336944|4.080276|5.844941|0.147877|4.097142|3.703643|2.925532|2.584868|2.698540|3.287532|4.299241|4.786589|6.207952|8.001381|5.399259|7.547297|6.651090|5.505896|27.953973|11.506889|16.057773|73.516695| |3.085833|4.711447|4.035576|4.183018|3.641430|5.967984|4.405331|3.156147|18.510599|2.779521|4.435693|0.136856|3.317193|2.829143|2.367327|2.233015|2.441066|2.967198|4.314311|4.934964|6.618500|5.055238|4.472691|6.227198|7.023597|7.774179|45.739618|17.681807|7.801839|12.527308|36.858105| |2.142419|3.242286|2.871385|3.200297|2.794883|5.020852|3.190280|2.200990|13.125882|2.085911|4.208266|0.125107|3.967891|3.334062|2.938197|2.924912|3.313689|3.947303|5.903936|6.345451|10.059246|5.004832|7.809484|12.558348|17.672795|7.791968|45.965731|7.037830|4.501838|6.335879|3.893556|36.858105| |7.139221|11.435380|15.657517|8.170832|5.312893|7.275441|6.507715|5.417894|27.510783|3.497135|6.832160|0.231705|5.347571|4.143887|3.407990|3.305191|3.820827|4.949748|7.134345|8.479951|8.985274|4.622902|3.787976|5.791576|4.909216|3.838463|22.788773|5.942684|4.513319|7.251049|4.050115|2.993932|73.516695| |17.642468|12.375807|5.992672|4.369204|4.041000|5.753328|6.498903|6.991112|47.636141|3.778006|3.402510|0.095859|3.099273|2.880777|2.582551|2.473254|2.607069|2.906307|3.876683|5.005331|4.771351|2.774627|2.357328|3.842888|3.037535|2.338178|14.842321|3.575587|2.792456|5.018804|2.636149|1.959954|9.883981|0.500000| |17.637954|12.368465|6.018644|4.373042|4.019952|5.708102|6.472924|6.960255|47.349841|3.768343|3.411531|0.098269|2.921297|2.662598|2.337367|2.222850|2.363494|2.696608|3.695184|4.676142|4.745927|2.890804|2.429556|3.872219|3.198743|2.551108|16.311750|4.025687|3.088487|5.682727|3.120376|2.033450|9.964100|0.301992|0.500000| |17.747119|12.624922|7.830800|4.966453|4.093463|5.773589|5.936027|5.791200|33.715990|3.348708|3.996798|0.120661|3.474479|3.027364|2.655215|2.589809|2.850620|3.316977|4.675981|6.033579|5.851752|3.158461|2.689046|4.274158|3.548584|2.798769|17.798326|4.299103|3.234328|5.621261|3.197007|2.262932|15.940501|0.298971|0.299056|0.500000| |3.791113|6.521530|4.047161|4.382825|5.973704|9.813603|12.390992|7.037060|48.067664|17.652664|3.360933|0.083859|2.928515|3.031294|2.601318|2.258707|2.212311|2.461618|3.065385|3.676264|3.977575|3.248747|2.591432|4.262735|3.165388|2.396289|14.491056|3.856192|3.405643|7.118433|2.792840|1.980711|5.753013|0.100458|0.106124|0.089414|0.500000| |3.757400|6.460440|4.022961|4.374788|6.038019|10.094434|12.357253|6.930858|47.043852|17.630464|3.357279|0.082395|3.114445|3.377023|2.962255|2.528481|2.411969|2.621815|3.169181|3.830811|3.996647|3.095495|2.511928|4.238663|3.015878|2.220803|13.446594|3.459586|3.026242|5.937060|2.430282|1.916950|5.720658|0.105423|0.099208|0.088855|0.301913|0.500000| |3.347921|5.935114|4.094805|4.975163|7.821299|15.978724|12.618540|5.792563|33.736930|17.752362|3.895745|0.091991|3.483054|3.828089|3.203354|2.653439|2.527687|2.808488|3.360183|3.953115|4.329879|3.845246|2.999535|5.029050|3.503677|2.559261|15.053441|4.063213|3.760783|7.695841|2.782457|2.178091|5.779975|0.089108|0.089088|0.082393|0.299101|0.299170|0.500000| |3.024752|5.229089|4.583590|6.508964|7.024900|15.413610|6.613049|3.892969|21.166651|4.211455|7.066460|0.142277|8.961519|17.783682|8.964175|5.648272|4.975013|5.714780|5.620364|6.114818|6.867405|6.241213|5.000614|9.192092|5.055686|3.274472|18.196767|4.770313|4.420388|7.285639|2.885530|3.134009|6.957884|0.080008|0.075079|0.082140|0.096678|0.108446|0.131035|0.500000| |2.421986|3.860309|3.191078|3.790028|3.861012|7.546828|4.393016|2.837449|16.826626|2.989678|4.087983|0.096542|5.616375|8.976260|17.710499|8.902886|5.674870|5.004776|4.926681|5.749653|5.703755|3.670708|3.483686|6.895627|3.843016|2.479857|14.718189|3.424788|2.888994|4.801056|2.158268|2.607209|5.240770|0.066678|0.060329|0.066770|0.071306|0.082827|0.089318|0.217150|0.500000| |2.257503|3.418559|2.857753|3.131416|2.933173|5.307576|3.467895|2.390717|14.497320|2.306612|3.505454|0.090165|4.880181|5.632905|8.864893|17.721814|8.952099|5.659030|5.731305|7.161934|6.199696|3.044584|3.090168|6.069303|3.628317|2.341913|14.414186|3.114708|2.475814|4.021016|1.985012|2.592819|5.036629|0.062492|0.055970|0.064440|0.056970|0.064025|0.066167|0.124114|0.213493|0.500000| |2.504282|3.709846|3.253238|3.399528|2.928097|5.035679|3.439857|2.455951|14.662135|2.200793|4.040426|0.112956|5.604006|4.974534|5.663217|8.913920|17.776803|8.946597|10.175774|14.003763|9.411939|3.324720|3.490779|6.545676|4.301606|2.779989|17.302029|3.586307|2.725038|4.276626|2.267575|3.127586|6.176179|0.067826|0.061539|0.074612|0.055330|0.059836|0.061842|0.107990|0.124191|0.214139|0.500000| |2.926666|5.034177|4.565259|6.716028|6.699577|14.484292|6.176550|3.675836|19.991487|3.918098|8.714248|0.174351|6.665262|6.376480|4.473010|3.660577|3.702404|4.626995|5.384656|5.677613|7.526998|17.700020|9.051174|13.381470|7.860172|5.017050|24.770920|7.819350|9.067852|13.352848|4.200308|4.210757|7.060914|0.073759|0.075734|0.080428|0.097112|0.093440|0.122992|0.210097|0.111436|0.085317|0.086684|0.500000| |3.164964|4.652269|3.993304|3.906718|3.311048|5.338102|4.079790|3.020643|17.928498|2.556179|4.146609|0.134470|3.186726|2.679518|2.275821|2.189187|2.431338|2.951296|4.452492|5.184385|6.888790|4.368872|4.020081|5.720489|6.473050|7.071225|48.969175|12.435882|5.898381|9.314086|17.693232|3.774014|7.538690|0.074671|0.089011|0.093744|0.071148|0.063145|0.070065|0.074387|0.057343|0.054259|0.063618|0.100797|0.500000| |3.449247|5.370496|4.461090|4.582411|4.088940|6.537758|5.070064|3.646841|21.166197|3.166515|4.474351|0.133114|3.294867|2.860286|2.377100|2.212732|2.387486|2.886325|4.087011|4.712475|6.046505|4.941292|4.066549|5.791065|5.891677|5.758573|33.690539|12.580288|7.789476|14.849612|17.719160|3.329339|7.598862|0.080581|0.098769|0.096772|0.089890|0.075508|0.086896|0.082554|0.060604|0.054644|0.061187|0.118253|0.299469|0.500000| |2.653315|3.986874|3.302962|3.456478|3.141552|5.313950|3.862605|2.745416|16.609559|2.523133|3.667214|0.109546|2.882697|2.526477|2.152106|2.033143|2.197032|2.608464|3.761798|4.357141|5.718141|4.302040|4.014566|5.768637|6.396857|6.785541|45.420970|12.301559|6.230411|10.663190|17.624886|3.722023|5.855199|0.064249|0.075181|0.075620|0.071129|0.061702|0.070869|0.071950|0.055153|0.050742|0.057093|0.103778|0.300763|0.299968|0.500000| |2.168509|3.226071|2.864790|3.087151|2.646699|4.650295|3.064672|2.154900|12.908990|1.988461|4.005856|0.124665|3.828494|3.151190|2.821536|2.892486|3.378445|4.020112|6.478245|7.085404|11.568829|4.373400|6.086968|9.800658|12.402059|6.983953|47.681349|6.452198|4.011957|5.735418|3.741387|17.674642|5.474893|0.055093|0.057005|0.064568|0.052540|0.051125|0.056937|0.080858|0.069074|0.071580|0.091011|0.101790|0.105470|0.088710|0.097929|0.500000| |1.968681|2.953165|2.553717|2.817578|2.524505|4.565920|2.935603|2.028545|12.284941|1.949940|3.527430|0.103382|3.288904|2.866314|2.559702|2.529639|2.796590|3.232092|4.755353|5.313719|7.711731|4.249380|6.020452|9.924013|12.358596|6.940316|47.402983|6.471247|4.081375|5.959124|3.767250|17.651241|4.691944|0.050153|0.052537|0.057369|0.051980|0.049781|0.056640|0.076510|0.064430|0.063376|0.073999|0.103134|0.100607|0.088768|0.104724|0.300649|0.500000| |2.057043|3.128963|2.756543|3.121433|2.769807|5.073459|3.141622|2.145522|12.815935|2.071208|4.126309|0.117499|4.162010|3.590599|3.223594|3.221382|3.605387|4.180892|5.949055|6.363103|9.566802|4.862297|7.850025|15.541324|12.586754|5.758135|33.768568|5.892924|4.086196|5.883203|3.327243|17.741321|5.042724|0.052844|0.053872|0.059964|0.054132|0.053229|0.060581|0.092545|0.079338|0.079325|0.093830|0.118711|0.088878|0.081902|0.088260|0.299545|0.299674|0.500000| 2243.804651 -13092.541070 4954.995009 -238.246196 -6131.987606 3885.554715 -2246.432890 2.001171 3D4B00000000001B 4510960C4B8813F1 449130C327EF7F6C 419F99FFFFFFFFFD 3379B604819B87C2 4301F520C13B9EFD