Version2.0 2020-07-18T22:58:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)c2csc3c2c(nc(n3)SCC(=O)N4CCCC4)N5CC[NH+](CC5)CC(=O)N6CC6 C34774825 RHF 6-31G(d) (6D,7F) c1ccc(cc1)c2csc3c2c(nc(n3)SCC(=O)N4CCCC4)N5CC[NH+](CC5)CC(=O)N6CC6 C01[X(C26H31N6O2S2)] 195 C1 610 O=C(N1CCCC1)CSc1nc(N2CC[NH+](CC2)CC(=O)N2CC2)c2c(n1)scc2c1ccccc1 O=C(N1CCCC1)CSc1nc(N2CC[NH+](CC2)CC(=O)N2CC2)c2c(n1)scc2c1ccccc1 O=C(CSc1nc2scc(c3ccccc3)c2c(n1)N4CC[NH+](CC4)CC(=O)N5CC5)N6CCCC6 InChIKey=AASXRDDQNKYHDP-UHFFFAOYSA-O InChI=1S/C26H30N6O2S2/c33-21(31-14-15-31)16-29-10-12-32(13-11-29)24-23-20(19-6-2-1-3-7-19)17-35-25(23)28-26(27-24)36-18-22(34)30-8-4-5-9-30/h1-3,6-7,17H,4-5,8-16,18H2/p+1 InChI=1/C26H30N6O2S2/c33-21(31-14-15-31)16-29-10-12-32(13-11-29)24-23-20(19-6-2-1-3-7-19)17-35-25(23)28-26(27-24)36-18-22(34)30-8-4-5-9-30/h1-3,6-7,17H,4-5,8-16,18H2/p+1/fC26H31N6O2S2/h29H/q+1 c1ccc(cc1)c2csc3c2c(nc(n3)SCC(=O)N4CCCC4)N5CC[NH+](CC5)CC(=O)N6CC6 C01[X(C26H31N6O2S2)] 195 C01 610 O=C(N1CCCC1)CSc1nc(N2CC[NH+](CC2)CC(=O)N2CC2)c2c(n1)scc2c1ccccc1 O=C(N1CC1)C[NH]1CCN(CC1)[C]1[N][C]([N][C]2[C]1[C](=CS2)[C]1[CH][CH][CH][CH][CH]1)SC[C]([N]1CCCC1)=O O=C(CS[C]1[N][C]2SC=C([C]3[CH][CH][CH][CH][CH]3)[C]2[C]([N]1)N4CC[NH](CC4)CC(=O)N5CC5)N6CCCC6 InChIKey=OIFGXLZONQFLEV-UHFFFAOYSA-N InChI=1S/C26H31N6O2S2/c33-21(31-14-15-31)16-29-10-12-32(13-11-29)24-23-20(19-6-2-1-3-7-19)17-35-25(23)28-26(27-24)36-18-22(34)30-8-4-5-9-30/h1-3,6-7,17,29H,4-5,8-16,18H2 InChI=1/C26H31N6O2S2/c33-21(31-14-15-31)16-29-10-12-32(13-11-29)24-23-20(19-6-2-1-3-7-19)17-35-25(23)28-26(27-24)36-18-22(34)30-8-4-5-9-30/h1-3,6-7,17,29H,4-5,8-16,18H2 4116.4427327711 -2273.8600637 1-A 30607.6553 138 472 610 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1.3347 3.9725 1.1722 1.1613 1.3091 1.5424 1.3373 1.7615 1.7425 1.6312 1.5396 1.7153 2.8739 1.4291 1.2839 1.4027 1.5632 2.1992 1.5386 2.9871 1.8841 1.3340 1.6058 1.3720 1.2906 1.3595 1.3778 1.4601 3.0467 1.4887 1.9121 1.4061 1.4902 5.1524 1.4922 2.1505 1.6595 2.0829 1.5736 1.1121 1.1052 1.3358 1.0954 1.0821 1.1177 1.1124 1.1090 1.2354 1.9483 1.0909 1.3084 1.1557 7.3812 8.2187 10.0247 5.5651 5.3827 11.5728 11.3402 1.0760 1.0692 1.0739 1.0732 1.0652 1.0689 1.0857 1.0627 1.0694 1.0619 1.0970 1.1039 1.0601 1.1013 1.0540 1.1066 1.0953 1.0571 1.1099 1.1059 1.0905 1.0875 1.0928 1.1104 1.0932 1.0957 1.0989 1.1210 1.1211 1.0956 1.0773 0.0005 0.0010 0.0017 0.0031 0.0042 0.0038 0.0046 0.0063 0.0105 0.0116 0.0218 0.0188 0.0182 0.0276 0.0520 0.0438 0.0397 0.0605 0.0786 0.0691 0.1367 0.1147 0.0765 0.1511 0.1410 0.1915 0.0809 0.1390 0.1966 0.1580 0.3346 0.3009 0.3827 0.3782 0.4640 0.4553 0.5041 0.3877 0.3697 0.6292 0.3544 1.1594 0.4871 1.0140 0.9256 0.8254 0.4283 0.5688 0.9394 1.4893 2.2521 0.9286 1.7583 1.0355 2.0395 1.4570 2.3243 2.1005 0.7773 1.6401 1.5166 1.1030 0.7621 0.7907 0.8468 1.6338 2.8012 2.3166 1.2617 1.3556 0.8313 1.0283 1.9401 1.1603 0.6892 1.4232 0.9619 2.0438 1.5030 1.2194 2.7178 1.0487 1.0015 1.8264 2.2744 2.6070 2.2084 1.6216 2.0566 0.9959 1.4659 1.1006 1.4231 1.2603 0.9674 2.1197 2.1177 1.4289 2.6432 2.2046 3.1217 1.7971 1.5052 1.5416 1.7850 1.3052 3.9146 1.1714 1.1606 1.3131 1.5537 1.3526 1.7862 1.7791 1.6701 1.6066 1.8313 3.0897 1.5745 1.4282 1.6252 1.8173 2.5879 1.8260 3.6167 2.3418 1.6830 2.0335 1.7506 1.6605 1.7892 1.8516 1.9774 4.1414 2.0563 2.6626 1.9825 2.1390 7.5740 2.2049 3.2032 2.5067 3.1678 2.4009 1.7244 1.7307 2.0945 1.7309 1.7132 1.7708 1.7799 1.7747 2.0018 3.1737 1.7947 2.1868 1.9317 12.5924 14.7180 18.5174 10.3279 10.3675 25.2095 25.8466 6.3568 6.4543 6.4884 6.5739 6.5385 6.5839 6.8158 6.6905 6.7426 6.7146 6.9632 7.0373 6.7901 7.1012 6.8238 7.1929 7.1631 6.9234 7.2874 7.2781 7.2326 7.2298 7.2992 7.4180 7.3472 7.3977 7.4543 7.6986 7.7754 7.6280 8.3823 1.2589 1.6734 2.0731 2.8145 0.7889 3.7315 2.6080 0.3412 0.7607 0.3061 0.5257 0.8756 4.5607 2.2317 1.4464 5.4798 1.5835 2.2253 3.7351 5.1703 1.2402 3.4064 6.2687 9.0737 0.3632 2.1396 4.6291 17.2730 2.8351 3.5094 0.9701 5.8917 9.4495 28.4203 7.3036 0.6990 1.7022 18.2594 0.3105 0.1047 2.9451 2.3593 2.4832 14.9151 7.1084 9.6814 3.2399 8.1843 29.9928 2.0353 1.6634 25.5379 1.0332 0.4621 12.0455 30.4179 4.5363 8.8235 29.0356 2.8175 13.7079 2.7942 73.8294 6.8343 6.1836 9.4914 7.4045 3.9323 4.8191 7.7662 18.3450 7.9047 48.7031 1.1930 0.3958 2.8926 0.3397 8.2745 8.2802 12.7374 25.5797 5.5379 1.5855 142.9697 7.4085 2.5511 1.1390 11.9793 41.4244 0.8932 1.2849 0.6338 16.3946 3.5415 3.1605 17.4912 16.4526 3.0699 37.4020 4.7138 80.7667 43.3328 4.7344 5.2382 35.0509 4.7918 46.1823 3.9531 0.0907 7.4444 21.9443 42.9557 27.7181 64.9445 6.3343 0.5739 6.5220 62.5816 7.4310 61.9525 12.6185 129.4831 4.2633 185.1789 76.6591 11.1997 1.2683 29.9493 14.1677 12.0197 1.8409 6.1624 0.7224 105.4041 10.2596 475.0172 27.3203 455.0316 182.8763 35.1051 238.4926 72.8622 7.9852 290.1388 7.1793 0.8927 20.2010 3.6236 0.9784 4.2224 2.3263 37.3673 2.4036 12.6800 0.8005 83.4679 6.2029 375.3678 148.0557 583.0962 68.5711 2.7279 370.0139 384.6063 29.7074 48.1090 25.6065 27.7240 24.2729 34.6750 34.5527 2.8172 17.9152 9.7925 37.8113 46.4950 2.2368 30.6386 11.6499 1.8554 2.2877 9.6759 5.6109 1.1705 2.2134 3.4159 1.0886 0.2450 14.4035 20.0819 11.9798 3.7399 6.0685 4.7496 92.9821 0.0657 0.6275 2.0931 0.5842 0.2167 0.8960 0.2418 2.7665 2.3805 5.1937 3.1000 0.2288 1.5120 1.2079 1.6181 2.1757 0.1731 0.6296 1.4173 0.7767 1.7812 0.6536 0.2790 0.4722 3.6171 0.2892 0.7245 1.1112 1.0000 0.5194 3.5276 1.0489 2.3332 1.8926 2.1192 0.9309 2.5373 0.6597 0.5745 2.6116 1.2057 6.9451 1.2872 2.2720 1.5493 1.1739 0.4299 0.7354 2.6051 2.6563 2.9138 4.4819 3.8441 1.7611 2.3008 0.8937 3.3408 4.0222 1.4332 7.1487 1.8280 3.8853 0.3633 7.3279 4.5844 12.7605 20.2816 6.2915 1.6964 4.2253 4.5093 9.4852 1.0554 4.9875 3.4196 12.2535 2.1460 3.8581 6.3076 1.2731 5.3366 3.5486 1.7584 15.5439 12.8538 33.8077 9.3448 2.5292 5.0192 0.3405 9.4420 0.8300 13.0745 0.7334 1.2856 3.8149 3.4606 0.1676 6.4024 5.0572 24.1995 3.7833 2.0242 11.6594 16.0520 2.0862 42.2176 11.7946 3.5382 1.4439 3.8272 19.0153 6.7166 8.8783 9.6818 6.7968 26.1283 7.4118 4.4651 8.7324 15.6785 28.9724 33.2555 15.3236 59.3042 6.6956 0.8727 14.0163 0.6420 7.9484 1.2964 1.7142 7.9635 17.5906 1.7869 15.2621 1.1448 17.8794 23.5151 3.5453 0.8735 7.9614 3.6534 8.7074 3.0348 6.3506 6.1458 18.7049 11.1612 5.2697 13.2514 6.3877 8.3353 14.3484 0.3562 6.3517 7.4625 42.4076 176.2860 217.8078 9.7606 93.5152 10.7337 16.7552 52.5852 52.0933 61.4548 140.9438 34.5536 75.8774 24.1318 3.0096 87.7295 108.8521 147.4074 106.2418 70.9897 61.1855 55.4473 21.3144 59.1244 118.9769 28.2278 30.8888 43.0777 26.4912 93.5671 33.1175 72.0241 10.8980 281.3675 69.5102 61.3347 94.7905 22.6790 0.7500 0.7460 0.7475 0.7337 0.7151 0.7206 0.7486 0.6633 0.7345 0.7246 0.6481 0.7030 0.6761 0.7298 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12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 10629.1066 45952.8711 54438.8826 0.99999 -0.00256 0.00217 0.00257 0.99999 -0.00227 -0.00216 0.00227 1.00000 1 0.00815 0.00188 0.00159 0.16979 0.03927 0.03315 18.17 25.59 32.87 45.91 51.06 55.71 64.99 72.56 100.32 105.61 121.13 128.24 137.72 145.20 171.16 180.07 196.90 206.19 220.73 253.03 286.08 296.88 306.32 332.87 354.58 373.36 385.03 390.35 423.09 440.48 461.96 495.80 509.94 531.49 551.03 573.60 595.98 627.48 661.53 672.49 709.29 724.88 756.84 807.57 834.30 864.35 887.87 917.41 923.35 933.26 947.04 977.30 978.17 993.88 1022.85 1069.27 1087.46 1096.78 1126.21 1148.11 1193.49 1217.02 1238.20 1278.10 1284.73 1287.75 1296.33 1300.79 1310.34 1341.88 1351.79 1355.65 1372.45 1374.34 1394.86 1417.60 1450.34 1456.94 1468.47 1477.58 1482.56 1517.04 1522.22 1534.58 1548.97 1565.72 1566.01 1570.01 1588.98 1598.74 1624.16 1631.52 1633.32 1648.67 1661.95 1684.83 1695.35 1699.13 1738.63 1747.19 1778.48 1793.00 1806.29 1822.19 1827.21 1853.55 1860.72 1873.73 1873.85 1877.25 1881.30 1885.13 1887.48 1894.01 1896.64 1914.73 1936.79 1943.55 1967.51 1976.96 2017.64 2021.01 2033.34 2042.00 2062.55 2089.72 2105.43 2109.29 2117.30 2126.12 2150.35 2172.92 2181.32 2185.37 2202.94 2211.90 2225.72 2245.71 2272.62 2278.48 2287.67 2303.71 2311.60 2315.33 2334.09 2345.68 2347.13 2356.29 2358.56 2359.32 2371.02 2371.13 2386.01 2392.33 2404.23 2423.25 2423.36 2448.27 2508.37 2547.55 2553.52 2601.39 2766.51 2829.83 4555.95 4605.32 4607.38 4639.12 4644.03 4651.95 4696.48 4703.13 4706.74 4713.49 4722.54 4732.73 4743.84 4759.78 4769.43 4778.84 4793.47 4797.08 4802.97 4808.54 4827.35 4832.97 4844.40 4844.85 4859.32 4870.54 4881.99 4912.14 4936.47 4945.94 5228.45 0.596158 0.627163 0.628107 0.528518 -2273.263906 -2273.232901 -2273.231957 -2273.331545 3.340198D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE c1ccc(cc1)c2csc3c2c(nc(n3)SCC(=O)N4CCCC4)N5CC[NH+](CC5)CC(=O)N6CC6 C34774825 RHF 6-31G(d) (6D,10F) C1 523.194993 |X|Y|Z| 156.740239 72.417731 28.206323 68.410689 34 6 7 16 26 6 2 |36.858105| |13.760520|36.858105| |7.928526|13.720272|36.858105| |6.819241|7.886103|13.697021|36.858105| |7.921576|6.876753|7.950688|13.665882|36.858105| |13.712068|7.946570|6.884034|7.893470|13.761324|36.858105| |4.447146|5.034945|7.603068|12.773485|7.604667|5.041270|36.858105| |3.743394|4.292532|6.073351|7.697103|5.416616|4.045699|14.203753|36.858105| |2.819890|3.106276|3.974998|4.727695|3.860338|3.053305|7.317051|10.947659|388.023441| |2.900902|3.116886|3.965118|5.011619|4.228770|3.242324|8.048035|7.736310|78.185809|36.858105| |3.578097|3.847244|5.110739|7.198420|5.778718|4.111874|13.027448|8.248210|52.129340|13.676649|36.858105| |3.367665|3.487046|4.306466|5.657280|5.181248|3.905964|7.186240|5.152185|34.798269|8.145191|13.523096|36.858105| |2.750804|2.816138|3.333780|4.098997|3.900931|3.134107|5.031750|4.113226|30.982920|7.206100|8.054609|14.616426|53.358707| |2.438462|2.522772|2.990537|3.602084|3.364127|2.735982|4.614894|4.128523|35.120253|8.580111|7.081260|8.360271|19.373086|36.858105| |2.465545|2.597505|3.148772|3.798074|3.412198|2.740881|5.229034|5.058266|50.437442|14.371636|7.876443|6.976676|11.035722|14.573950|53.358707| |2.017948|2.061179|2.353455|2.718880|2.619089|2.233060|3.239422|3.012989|25.234945|4.911836|4.290880|4.976223|10.012351|10.852563|9.660769|388.023441| |1.823875|1.879970|2.146257|2.438409|2.316865|1.992062|2.936648|2.903231|26.006861|4.563185|3.673902|3.792705|6.500684|6.936404|9.075636|74.704117|36.858105| |1.603835|1.641479|1.837742|2.050514|1.976520|1.738525|2.383685|2.357356|20.222087|3.345484|2.858999|2.989534|4.960598|4.636369|5.928131|50.031732|12.513270|36.858105| |1.558807|1.585113|1.757754|1.953724|1.903402|1.689715|2.228766|2.165081|17.946559|2.998635|2.665858|2.875703|4.821752|4.258879|5.147502|48.441946|8.013731|15.833973|73.516695| |1.485094|1.523148|1.696991|1.873480|1.802203|1.598285|2.164738|2.187326|18.868463|2.953747|2.518259|2.555906|4.058791|3.680296|5.008423|34.133841|7.829732|14.182515|15.131967|53.358707| |1.339684|1.367636|1.504741|1.643649|1.594377|1.434218|1.860258|1.872970|15.678608|2.412140|2.121441|2.168548|3.386129|2.925721|3.921220|26.404386|5.005290|7.827160|12.338698|17.707017|36.858105| |1.272510|1.300563|1.427103|1.550281|1.502090|1.356931|1.749584|1.789284|15.015663|2.229445|1.955911|1.957651|2.980862|2.551496|3.533031|21.543573|4.023366|5.257336|8.097195|11.053226|12.464118|36.858105| |1.335052|1.376400|1.523560|1.653105|1.581337|1.418999|1.891078|1.965582|16.928706|2.460125|2.109725|2.069748|3.125228|2.724627|3.910902|22.209203|4.376819|5.213616|7.453737|11.069062|7.938065|12.445637|36.858105| |1.491415|1.539240|1.723430|1.897006|1.807656|1.598904|2.213284|2.296146|20.379708|3.039628|2.529672|2.477022|3.814136|3.472244|5.055822|28.904286|6.570958|7.588499|9.388090|17.747529|7.817263|7.938123|12.450014|36.858105| |3.843731|3.872284|4.577042|5.815751|5.723181|4.493759|5.975450|4.270465|26.803032|5.204747|7.741660|13.545862|11.234264|5.371475|6.274045|27.780914|3.036176|2.528344|4.434831|2.984274|1.911605|1.733210|1.808639|2.111002|53.358707| |4.029329|4.307090|5.090480|5.701050|5.102804|4.311579|5.478603|4.053156|24.747909|4.429277|6.150147|7.897202|7.795102|4.274326|5.289724|23.372768|2.672931|2.267795|3.978113|2.719625|1.760274|1.606715|1.685595|1.938460|17.817901|36.858105| |4.612495|4.683323|4.907073|5.076628|4.997327|4.754987|4.320726|3.355973|20.172400|3.367969|4.383694|5.144168|5.601356|3.257735|4.096239|19.012000|2.229176|1.946868|3.447259|2.367387|1.559457|1.434624|1.491894|1.688328|10.667593|12.557016|36.858105| |3.710930|3.556455|3.614638|3.849620|4.054790|3.968012|3.444185|2.780604|17.497768|2.945816|3.657834|4.496104|5.331662|3.080323|3.746447|18.852931|2.166593|1.927154|3.473945|2.328830|1.549046|1.414881|1.452090|1.636626|9.090942|7.700235|12.645481|53.358707| |3.169797|3.130751|3.232664|3.396346|3.449929|3.323344|3.166033|2.609353|16.843095|2.847191|3.441092|4.268935|5.292895|3.076859|3.698216|19.250058|2.194773|1.965279|3.570335|2.365034|1.577304|1.432121|1.467081|1.650396|8.121138|7.165736|9.356645|25.596745|0.500000| |3.515228|3.266526|3.396184|3.869723|4.311103|4.050650|3.567249|2.855723|18.285906|3.173225|3.956527|5.150425|6.247909|3.476656|4.099363|21.273324|2.374966|2.102811|3.810256|2.512790|1.664097|1.510953|1.540508|1.751652|10.733585|6.661522|7.694758|17.278256|0.256409|36.858105| |3.248441|3.150226|3.480460|4.148487|4.383496|3.770731|4.161165|3.264322|21.553782|4.018543|5.124644|7.882327|9.775112|4.782803|5.291368|27.813073|2.925509|2.515847|4.545048|2.938628|1.909595|1.712328|1.754250|2.032548|17.874140|7.960175|6.618701|10.453102|0.197122|12.531218|36.858105| |3.606182|3.342465|3.196814|3.268503|3.520895|3.712901|2.860013|2.389259|15.015538|2.430359|2.918288|3.373633|4.106726|2.493196|3.101948|15.710276|1.858332|1.682356|3.038070|2.060692|1.387733|1.278025|1.306053|1.453918|6.111665|4.999888|7.673527|17.450852|0.264025|7.633690|4.979142|36.858105| |3.084414|2.991680|2.860987|2.817295|2.898455|3.030779|2.521183|2.160495|13.757210|2.190612|2.563868|2.901882|3.608439|2.246243|2.820010|14.399936|1.727331|1.578676|2.856341|1.945042|1.318129|1.215564|1.243271|1.373017|4.975571|4.297130|6.041858|10.607298|0.222623|5.078849|3.914619|12.475194|36.858105| |2.825442|2.833850|2.796053|2.753173|2.748185|2.781053|2.532686|2.178830|14.067541|2.258141|2.622254|2.997742|3.776596|2.349798|2.932086|15.135218|1.805824|1.650207|2.993293|2.025452|1.370855|1.258144|1.288928|1.424675|5.078997|4.558027|5.957499|9.904960|0.251253|4.788119|3.980676|8.094692|15.931608|73.516695| |2.916124|2.799224|2.598493|2.510571|2.597719|2.794802|2.231318|1.949450|12.400889|1.930528|2.224763|2.447085|3.059465|1.949246|2.483179|12.613023|1.542082|1.420705|2.565150|1.767554|1.205790|1.119911|1.144265|1.253902|4.041949|3.391614|4.507733|7.080902|0.142168|3.897278|3.113832|7.844324|14.065778|14.895562|53.358707| |2.412051|2.348408|2.203478|2.125974|2.175341|2.312046|1.930160|1.718043|11.105886|1.713557|1.934369|2.110688|2.691748|1.744693|2.228942|11.497201|1.419529|1.322186|2.396057|1.653307|1.136516|1.057111|1.076848|1.171239|3.376891|2.790937|3.451088|5.288193|0.111103|3.115912|2.609384|5.090248|7.709259|11.465678|18.059817|36.858105| |2.557358|2.408513|2.234890|2.188823|2.301979|2.490323|1.964727|1.737970|11.179054|1.730545|1.965674|2.153630|2.738106|1.764709|2.247336|11.611549|1.427769|1.328941|2.410072|1.659659|1.140539|1.061375|1.077872|1.174848|3.481111|2.790404|3.509917|5.605296|0.112127|3.403828|2.736457|5.901682|7.570258|9.852275|17.862888|12.858489|36.858105| |17.717913|8.911746|5.639390|4.924217|5.637585|8.892928|3.555231|3.105679|17.334588|2.494254|2.984288|2.865915|3.283540|2.157143|2.951367|12.988040|1.659258|1.476759|2.563581|1.869825|1.249188|1.189592|1.242615|1.377309|4.437236|3.424954|4.016448|4.627283|0.081390|3.190327|2.878205|3.482846|3.026653|4.841426|4.032982|2.460927|2.638971|0.500000| |8.912706|17.720410|8.918245|5.627315|4.954264|5.645730|4.105780|3.694011|19.803984|2.748130|3.270854|3.000069|3.392828|2.263725|3.176202|13.402676|1.736357|1.530221|2.630779|1.944478|1.290344|1.231214|1.303558|1.446154|4.482108|3.741455|4.105089|4.351725|0.079946|2.876291|2.760166|3.090328|2.878147|4.869834|3.753145|2.346283|2.370053|0.214635|0.500000| |5.644744|8.914456|17.713324|8.916152|5.649709|4.957466|7.041405|6.288735|29.625128|3.988160|4.897133|4.048785|4.369401|2.948839|4.306293|16.554940|2.155572|1.843188|3.117697|2.328110|1.514187|1.439619|1.548755|1.748311|5.619884|4.750777|4.381103|4.456366|0.083967|3.037359|3.178349|2.894278|2.681458|4.765786|3.324488|2.107789|2.098386|0.124116|0.215551|0.500000| |5.640486|4.954777|5.652194|8.908079|17.725163|8.926787|7.050009|5.159826|28.050333|4.508595|6.097011|5.635062|5.853542|3.690861|5.027133|20.286882|2.495770|2.116987|3.623928|2.610400|1.689278|1.586100|1.662327|1.915192|8.096370|4.755762|4.484130|5.309994|0.093056|4.462298|4.713020|3.347811|2.731913|4.626315|3.317813|2.061776|2.196700|0.124067|0.107561|0.124198|0.500000| |8.899270|5.648032|4.957500|5.628213|8.929891|17.708699|4.109316|3.421691|19.323829|2.902592|3.564898|3.498238|3.960286|2.551235|3.434703|15.160595|1.899879|1.676205|2.913564|2.100128|1.393616|1.319264|1.369319|1.536629|5.465536|3.736662|4.177722|5.121100|0.087462|3.983578|3.590727|3.651396|2.933519|4.710881|3.734872|2.278853|2.509295|0.214399|0.124070|0.107598|0.215682|0.500000| |3.810644|4.458822|6.134182|6.847331|5.000717|3.967107|8.852734|17.782482|55.301801|5.437024|5.694765|4.048670|4.558036|3.355399|5.421149|18.370962|2.530546|2.107285|3.454933|2.702431|1.723093|1.664931|1.827636|2.098351|4.859247|3.490261|3.038643|3.445693|0.065873|2.563944|2.831173|2.232595|2.036711|3.625071|2.540053|1.652350|1.671211|0.088541|0.108593|0.181095|0.127871|0.093172|0.500000| |1.865886|1.914819|2.190774|2.517305|2.406149|2.054493|3.060581|3.079336|28.314221|4.842442|3.786578|3.761822|6.207985|6.567617|9.533318|56.261840|17.624912|8.823236|10.901312|9.567614|4.638083|3.990554|4.413638|6.809626|4.066143|2.596896|2.183352|2.870334|0.058544|2.327688|2.839862|1.819706|1.677711|3.087028|2.049579|1.381489|1.397814|0.047049|0.048896|0.060777|0.072813|0.054548|0.074545|0.500000| |1.827292|1.910036|2.198722|2.467533|2.293596|1.971829|3.008467|3.029072|27.939677|4.773864|3.733284|3.739498|6.186801|6.518549|9.446764|56.339133|17.619459|8.845861|11.063714|9.409063|4.590077|3.843933|4.439955|6.569124|4.062978|2.703290|2.234261|2.908171|0.060379|2.293251|2.805939|1.832318|1.720273|3.217512|2.092124|1.417431|1.414678|0.046093|0.049266|0.062274|0.067521|0.051740|0.073261|0.303506|0.500000| |1.300924|1.332521|1.463188|1.585996|1.532192|1.384266|1.786344|1.792290|14.870441|2.289586|2.032654|2.090656|3.258703|2.778027|3.692243|25.006423|4.513926|6.738729|11.615351|12.347003|17.562860|8.741819|6.586361|6.180557|2.530029|1.731675|1.535998|2.079943|0.043512|1.627933|1.862202|1.370639|1.311854|2.438416|1.633346|1.135969|1.134355|0.033759|0.035063|0.041061|0.044786|0.037295|0.045882|0.111705|0.120216|0.500000| |1.328133|1.346101|1.473259|1.614643|1.582610|1.428278|1.812258|1.807001|14.898402|2.316934|2.068305|2.140367|3.357472|2.856081|3.743983|26.212861|4.638639|7.169273|12.996914|12.347117|17.634371|8.675852|5.720246|5.885572|2.589951|1.738513|1.550091|2.116319|0.043938|1.684397|1.927399|1.396320|1.321348|2.435467|1.645544|1.139792|1.148708|0.034476|0.035212|0.040907|0.046825|0.038777|0.046192|0.121127|0.113159|0.302527|0.500000| |1.190161|1.216571|1.327468|1.430862|1.387282|1.262423|1.600067|1.634770|13.531881|1.994370|1.772119|1.777090|2.682706|2.255494|3.109173|18.785110|3.341524|4.223706|6.873869|7.911793|8.722345|17.593174|8.681591|5.663036|2.166991|1.489055|1.339446|1.802054|0.037308|1.405354|1.578085|1.203262|1.150778|2.118787|1.448615|1.009389|1.011357|0.031032|0.032134|0.037254|0.040483|0.034140|0.042532|0.090950|0.090333|0.218847|0.192565|0.500000| |1.269801|1.290755|1.412308|1.540441|1.503908|1.359967|1.732459|1.772374|14.799831|2.188891|1.927945|1.925128|2.917634|2.483528|3.441783|20.726792|3.789401|4.768444|7.453313|9.202163|8.831829|17.547121|8.823330|6.829942|2.324619|1.571976|1.410598|1.897575|0.038997|1.497813|1.690939|1.263091|1.195357|2.187994|1.502071|1.040044|1.049069|0.033008|0.033870|0.039371|0.044342|0.036888|0.045934|0.108749|0.097889|0.174314|0.220770|0.301912|0.500000| |1.304617|1.352142|1.496315|1.610003|1.530028|1.377248|1.837514|1.909936|16.368069|2.370596|2.043445|2.007442|3.019709|2.611264|3.740950|21.136879|4.052091|4.748427|6.999285|9.259244|6.837896|8.822425|17.552186|8.844175|2.400048|1.663099|1.471473|1.945183|0.040300|1.502721|1.707242|1.286330|1.233021|2.282885|1.545275|1.071864|1.067493|0.033767|0.035729|0.042508|0.044344|0.036802|0.049438|0.108992|0.119405|0.184277|0.137989|0.216717|0.173967|0.500000| |1.306999|1.347288|1.488205|1.610399|1.541415|1.386870|1.836919|1.930148|16.609059|2.350837|2.019279|1.955649|2.906207|2.508034|3.656855|19.729919|3.751523|4.180452|6.149320|7.911892|5.658810|8.660257|17.591106|8.725256|2.335088|1.602444|1.426657|1.882709|0.038637|1.464452|1.654664|1.250510|1.189638|2.183690|1.496800|1.034916|1.037341|0.033843|0.035500|0.042041|0.044947|0.037206|0.050310|0.109089|0.105957|0.134719|0.126353|0.196157|0.216341|0.301721|0.500000| |1.535426|1.576859|1.766532|1.961528|1.881415|1.657624|2.295550|2.397162|21.435668|3.160167|2.611942|2.527073|3.858341|3.517870|5.215617|28.323712|6.237786|6.501439|8.394284|12.289495|6.193309|6.616045|8.773637|17.525436|2.917104|1.945379|1.699229|2.238828|0.045708|1.774090|2.055661|1.463151|1.371386|2.513302|1.707279|1.167272|1.177121|0.039331|0.040972|0.049481|0.055826|0.044373|0.060902|0.206710|0.162806|0.134961|0.145678|0.135236|0.185120|0.174701|0.219950|0.500000| |1.557158|1.622661|1.833575|2.012742|1.889483|1.661607|2.381115|2.496923|22.764459|3.359136|2.731157|2.635032|4.034456|3.734611|5.640213|29.843831|6.920443|6.797332|8.562058|12.254775|5.851970|5.720597|8.728312|17.591009|3.021015|2.056157|1.771767|2.311865|0.047651|1.802737|2.103305|1.500976|1.421671|2.633194|1.762912|1.207656|1.206168|0.039778|0.042384|0.052132|0.055221|0.044000|0.063044|0.192228|0.223887|0.144571|0.128492|0.126534|0.137972|0.222420|0.194708|0.301444|0.500000| |3.308877|3.553074|4.100442|4.403405|3.962504|3.460119|4.484400|3.553532|22.986068|4.115599|5.227671|6.775859|7.692477|4.287111|5.177230|24.306483|2.743134|2.344608|4.150234|2.792719|1.811194|1.639260|1.717057|1.970945|12.292624|17.453153|8.846303|9.391639|0.209819|5.831722|7.175612|4.619535|4.268604|8.623313|4.529973|2.809490|2.738063|0.080687|0.089292|0.111727|0.105286|0.085752|0.085744|0.072389|0.077769|0.049950|0.049572|0.042308|0.044220|0.047398|0.045027|0.054278|0.058269|0.500000| |4.356377|5.019571|6.508823|7.011384|5.478261|4.497005|6.778575|4.858824|28.067181|4.846462|6.913685|7.354307|7.058891|4.151394|5.465438|22.213402|2.641119|2.221189|3.835656|2.696021|1.737236|1.600809|1.698413|1.952727|12.392760|17.686085|9.021983|7.639990|0.145790|4.969142|5.715005|4.155435|3.718947|6.947851|4.184822|2.571368|2.546881|0.100195|0.119972|0.175218|0.134605|0.104041|0.115088|0.071943|0.075482|0.047415|0.047282|0.041201|0.043460|0.046653|0.045091|0.054527|0.058085|0.302545|0.500000| |4.288427|4.552389|4.614248|4.396492|4.164087|4.113031|3.788950|3.072195|18.609101|3.007253|3.752799|4.196856|4.763635|2.883324|3.686299|17.211449|2.059018|1.816654|3.217116|2.227518|1.476537|1.363505|1.420355|1.593703|7.680802|8.828003|17.650259|12.364983|0.228482|5.622545|4.972544|7.145412|6.812130|12.549574|6.895816|3.845655|3.727945|0.107101|0.117160|0.119674|0.102654|0.100796|0.078864|0.055753|0.057909|0.040630|0.040626|0.035542|0.037116|0.039146|0.037778|0.044312|0.046586|0.214952|0.213292|0.500000| |6.110774|5.828540|5.786283|6.012789|6.351184|6.394478|4.617679|3.533960|20.451618|3.330626|4.390154|4.865273|5.193854|3.085429|3.965772|17.905905|2.136232|1.865068|3.281630|2.285534|1.506631|1.396733|1.453852|1.642935|9.623142|8.856773|17.655252|12.369202|0.182039|6.986778|5.805571|7.056812|5.252443|8.549598|5.788352|3.245908|3.412218|0.142156|0.134254|0.133139|0.149090|0.150138|0.090190|0.058989|0.059215|0.040985|0.041649|0.036199|0.038358|0.039654|0.038850|0.046310|0.047750|0.173391|0.216272|0.298597|0.500000| |2.997643|2.782286|2.851231|3.181144|3.519847|3.389511|2.990075|2.476870|16.245178|2.778146|3.313314|4.196402|5.450421|3.143139|3.686311|20.222239|2.258884|2.040950|3.750975|2.439231|1.633070|1.477734|1.491845|1.684752|7.707627|4.983381|5.613498|12.369253|0.223345|17.618007|8.823995|7.092489|4.952117|8.265651|5.259757|3.166599|3.523486|0.077629|0.069505|0.072028|0.102179|0.095122|0.062445|0.061181|0.060124|0.044492|0.046247|0.038317|0.040736|0.040422|0.039319|0.047276|0.047792|0.131004|0.109256|0.126808|0.142988|0.500000| |4.037795|3.569287|3.629406|4.219722|5.078239|4.911623|3.716847|2.954609|18.461017|3.138886|3.954832|4.872367|5.709704|3.273958|3.969083|19.801473|2.266413|2.003910|3.597318|2.418455|1.602453|1.468427|1.499698|1.702391|9.679942|5.847181|6.998908|12.408192|0.180867|17.630061|8.823228|7.030594|4.572311|7.319830|5.064311|2.957567|3.313098|0.101351|0.085501|0.087433|0.148157|0.138894|0.074367|0.062744|0.060664|0.043282|0.045074|0.037915|0.040673|0.040462|0.039859|0.048313|0.048551|0.134556|0.130567|0.143186|0.209427|0.299336|0.500000| |3.015354|2.877495|3.167330|3.847311|4.198729|3.583820|3.953913|3.172814|21.481032|4.034535|4.939985|7.349620|10.180126|5.073584|5.473128|30.242323|3.112856|2.677910|4.859787|3.102230|2.011229|1.796515|1.826510|2.129984|12.457738|5.719309|4.946234|7.619274|0.144312|8.975158|17.654435|4.134259|3.302911|5.873405|3.718288|2.334479|2.475856|0.074746|0.070061|0.080239|0.132867|0.097440|0.076453|0.084987|0.080740|0.053957|0.056922|0.045745|0.049642|0.048914|0.047821|0.060401|0.060550|0.145408|0.127396|0.109040|0.129836|0.212717|0.214972|0.500000| |2.820638|2.797878|3.085544|3.536630|3.583390|3.151477|3.648322|2.969227|20.271506|3.765042|4.527286|6.739758|9.618732|4.809892|5.171163|29.601718|3.025621|2.630671|4.830033|3.038482|1.980261|1.755269|1.791540|2.072461|12.233432|7.113086|5.777016|9.339732|0.206550|8.830256|17.502109|4.596809|3.877980|7.372350|4.158137|2.617750|2.684396|0.070505|0.069727|0.080701|0.104594|0.083331|0.071916|0.079407|0.080973|0.054169|0.055496|0.045045|0.047772|0.048747|0.046564|0.057468|0.059671|0.213833|0.144521|0.130375|0.133527|0.214670|0.173041|0.303843|0.500000| |4.302687|3.825077|3.500482|3.521021|3.893614|4.348154|2.958566|2.467764|15.171311|2.412147|2.916796|3.263774|3.887865|2.390265|3.028511|14.885055|1.787966|1.613365|2.890316|1.989981|1.338869|1.241828|1.273386|1.415840|5.826096|4.727156|7.394759|12.294365|0.184252|6.448583|4.448299|17.646777|8.767349|10.801420|9.839857|4.698446|5.607852|0.117753|0.097594|0.085972|0.100164|0.119649|0.064799|0.049100|0.049050|0.036600|0.037359|0.032468|0.034193|0.034773|0.034035|0.039774|0.040622|0.115806|0.114448|0.191541|0.223913|0.158674|0.190651|0.105822|0.110133|0.500000| |3.181106|2.904601|2.793953|2.911098|3.195468|3.359767|2.598197|2.198281|14.048539|2.276685|2.686698|3.123024|3.913397|2.392069|2.951106|15.402321|1.816006|1.660268|3.021183|2.031952|1.376262|1.265153|1.283486|1.425299|5.495483|4.181567|5.635352|12.340784|0.211029|7.496671|4.761079|17.599000|8.871448|11.394185|9.146646|4.810296|6.030930|0.086364|0.074682|0.070514|0.086988|0.094942|0.057109|0.049429|0.049290|0.037720|0.038700|0.033120|0.034832|0.035022|0.034113|0.039897|0.040597|0.109495|0.097578|0.142909|0.149337|0.229275|0.193587|0.114979|0.123057|0.301343|0.500000| |2.213205|2.175381|2.081075|2.027244|2.059679|2.148955|1.871809|1.670389|10.931831|1.697480|1.902249|2.094139|2.707461|1.756964|2.229641|11.705121|1.439527|1.347260|2.454309|1.680764|1.158266|1.073181|1.090459|1.184783|3.328371|2.742823|3.294163|5.140747|0.112694|3.062893|2.608977|4.682016|7.048490|12.039134|12.068089|17.719682|8.645029|0.061896|0.060069|0.055742|0.054731|0.058701|0.044392|0.038686|0.039930|0.032273|0.032290|0.028504|0.029260|0.030212|0.029023|0.032674|0.033916|0.078514|0.069626|0.101198|0.084055|0.087928|0.078902|0.064814|0.074297|0.114649|0.125958|0.500000| |2.343262|2.303336|2.140965|2.034399|2.064049|2.206176|1.843708|1.656892|10.686177|1.628065|1.827214|1.963186|2.496807|1.635257|2.110069|10.761117|1.343523|1.252420|2.260446|1.574814|1.083990|1.012876|1.034383|1.121087|3.095467|2.568242|3.125126|4.557890|0.094738|2.731313|2.342083|4.189342|5.827333|9.192960|12.197875|17.740643|8.586879|0.067083|0.065019|0.057318|0.053967|0.060135|0.044614|0.036395|0.037416|0.030113|0.030121|0.026914|0.027672|0.028647|0.027685|0.031031|0.032157|0.071574|0.067137|0.097904|0.082884|0.075925|0.073047|0.058609|0.065027|0.112797|0.108378|0.291077|0.500000| |2.590165|2.406229|2.193652|2.134297|2.263017|2.495878|1.898452|1.689603|10.808517|1.654959|1.875295|2.025978|2.564112|1.665501|2.139088|10.933386|1.356674|1.263258|2.282434|1.585363|1.090696|1.019967|1.036574|1.127299|3.241077|2.570906|3.206290|4.925904|0.095985|3.086984|2.508612|5.015026|5.733720|7.799278|12.103484|8.553501|17.740481|0.075867|0.066223|0.056952|0.059751|0.070600|0.045492|0.037097|0.037332|0.030064|0.030510|0.027013|0.028072|0.028477|0.027805|0.031469|0.032115|0.069062|0.066250|0.093788|0.089446|0.087633|0.086041|0.063886|0.067427|0.144035|0.141722|0.169851|0.206962|0.500000| |2.405467|2.253631|2.122952|2.117968|2.245452|2.399318|1.923150|1.699522|11.038555|1.723647|1.950638|2.163285|2.785109|1.789987|2.258646|11.900614|1.452989|1.358485|2.478361|1.691026|1.164850|1.080162|1.091643|1.190345|3.495869|2.737545|3.374424|5.645556|0.114291|3.561267|2.829637|5.852292|6.852542|9.338387|11.938391|8.666610|17.691042|0.068229|0.060856|0.055291|0.060454|0.067820|0.045146|0.039447|0.039766|0.032177|0.032719|0.028587|0.029686|0.029984|0.029124|0.033128|0.033823|0.075098|0.068472|0.096439|0.090390|0.106682|0.095134|0.071755|0.077615|0.145905|0.185802|0.212683|0.170579|0.291195|0.500000| 2271.888011 -13551.376589 5141.751347 -252.565944 -6390.303175 4116.443029 -2273.860146 2.000868 4128C47FFFFFFFEC 45608CE05B70ED76 44DE97569C1432C2 42FBE39CE305C602 B8639322493F713B 4598AF26D26FA9B9