Version2.4 2021-05-26T19:37:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COCCN(CCC(=O)Nc1nnc(s1)c2ccc(cc2)Br)C(=O)COc3ccccc3 C33779220 RHF 6-31G(d) (6D,7F) COCCN(CCC(=O)Nc1nnc(s1)c2ccc(cc2)Br)C(=O)COc3ccccc3 C01[X(C22H23Br1N4O4S1)] 159 C1 545 COCCN(C(=O)COc1ccccc1)CCC(=O)Nc1nnc(s1)c1ccc(cc1)Br COCCN(C(=O)COc1ccccc1)CCC(=O)Nc1nnc(s1)c1ccc(cc1)Br COCCN(CCC(=O)Nc1sc(nn1)c2ccc(Br)cc2)C(=O)COc3ccccc3 InChIKey=BYEBKFIPLIAWLP-UHFFFAOYSA-N InChI=1S/C22H23BrN4O4S/c1-30-14-13-27(20(29)15-31-18-5-3-2-4-6-18)12-11-19(28)24-22-26-25-21(32-22)16-7-9-17(23)10-8-16/h2-10H,11-15H2,1H3,(H,24,26,28) InChI=1/C22H23BrN4O4S/c1-30-14-13-27(20(29)15-31-18-5-3-2-4-6-18)12-11-19(28)24-22-26-25-21(32-22)16-7-9-17(23)10-8-16/h2-10H,11-15H2,1H3,(H,24,26,28)/f/h24H COCCN(CCC(=O)Nc1nnc(s1)c2ccc(cc2)Br)C(=O)COc3ccccc3 C01[X(C22H23Br1N4O4S1)] 159 C01 545 COCCN(C(=O)COc1ccccc1)CCC(=O)Nc1nnc(s1)c1ccc(cc1)Br COCCN(C(=O)CO[C]1[CH][CH][CH][CH][CH]1)CCC(=O)N[C]1=[N][N]=C(S1)[C]1[CH][CH][C]([CH][CH]1)Br COCCN(CCC(=O)Nc1sc(nn1)[C]2[CH][CH][C](Br)[CH][CH]2)C(=O)CO[C]3[CH][CH][CH][CH][CH]3 InChIKey=BYEBKFIPLIAWLP-UHFFFAOYSA-N InChI=1S/C22H23BrN4O4S/c1-30-14-13-27(20(29)15-31-18-5-3-2-4-6-18)12-11-19(28)24-22-26-25-21(32-22)16-7-9-17(23)10-8-16/h2-10H,11-15H2,1H3,(H,24,26,28) InChI=1/C22H23BrN4O4S/c1-30-14-13-27(20(29)15-31-18-5-3-2-4-6-18)12-11-19(28)24-22-26-25-21(32-22)16-7-9-17(23)10-8-16/h2-10H,11-15H2,1H3,(H,24,26,28)/f/h24H 3407.1187320761 -4331.1180425 1-A 45634.1509 133 412 545 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.06845 -91.99734 -64.47996 -58.61945 -58.61760 -58.61749 -20.58909 -20.58377 -20.56347 -20.53036 -15.63415 -15.60262 -15.59879 -15.59515 -11.38421 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2.2137 0.9948 3.0811 0.9522 1.0225 1.6417 2.1706 2.1448 1.6209 1.7723 2.1575 1.3523 1.7900 2.1731 1.9243 2.7931 4.0137 2.3397 2.5872 1.1711 1.4969 2.1754 1.2963 1.6898 1.7217 1.8907 1.8450 5.2811 1.9259 1.4734 2.0414 2.2772 5.7017 1.6602 1.8995 1.7482 1.7411 2.1998 1.9266 3.6758 2.1285 2.0924 1.8422 3.1017 2.9879 1.8601 1.8199 3.5310 1.6728 1.7152 2.0662 2.0290 3.8117 1.8445 2.8619 16.0655 7.8280 12.3154 10.5128 10.1666 10.2319 26.1131 22.6887 6.2569 6.2383 6.4499 6.5053 6.6961 6.6242 6.8392 6.7302 7.0037 7.0117 7.0897 7.1345 7.2546 7.2169 7.2910 7.3169 7.3946 7.4551 7.4373 7.4602 7.4941 7.5509 9.4656 0.1128 0.1610 0.1836 0.3867 0.4451 0.1056 0.2119 0.8959 0.1104 0.3934 0.2945 4.4188 3.3796 8.6560 1.0889 2.3790 4.4860 1.9372 2.3921 8.0726 5.0242 17.4035 7.1100 5.0403 1.2330 1.5206 14.9122 0.9024 0.1647 1.4092 1.3088 21.6065 0.3228 2.6704 0.0957 0.7569 9.3978 5.4987 7.2692 31.7800 21.0456 5.5170 12.1422 42.0088 5.1022 12.2981 19.9355 5.6933 16.1920 37.3966 17.8545 12.2086 3.0594 0.7898 13.2111 0.3155 1.6859 16.0672 8.3904 81.4266 7.8361 26.3029 5.3421 0.0791 22.8588 53.7861 27.4894 12.3608 0.4255 8.9614 49.5107 7.9433 0.0433 12.1368 0.0261 18.7607 0.7953 0.1393 1.3392 13.3048 42.4378 7.9192 63.4903 47.9804 8.0328 0.4875 140.8046 18.8762 45.2231 15.0791 53.0342 207.8523 24.5872 36.9110 2.1832 31.8348 113.2228 62.5792 156.7366 23.9964 7.0674 26.8149 76.1903 284.6902 122.8452 240.3588 1.2195 8.4237 8.1759 112.5729 181.2973 71.4994 17.5402 49.4294 14.9454 29.1316 43.2290 34.5108 0.5033 26.2863 95.3140 2.6775 11.3615 16.7735 135.7986 72.3963 1.3331 75.9790 22.2043 730.0925 175.9694 29.8857 22.4513 111.8820 319.5365 196.0171 31.2115 86.9579 29.0091 8.6341 49.8541 48.4559 73.2883 14.2667 7.1811 2.4497 38.6400 36.7578 13.3743 2.4652 19.2468 12.3701 45.3265 14.1705 1.8584 8.0355 2.7477 1.0856 88.9711 7.8786 0.9520 0.4956 0.9214 3.2446 8.0455 1.0810 0.2046 0.3526 1.0518 1.4218 0.3825 0.1385 0.1234 0.2581 0.1978 0.3352 0.4309 0.2080 0.1283 0.4937 1.3936 0.1670 0.6372 3.6662 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0.6441 0.8343 0.8567 0.4730 0.4924 0.4629 0.8408 0.5524 0.7167 0.4700 0.4824 0.5081 0.1371 0.1873 0.2722 0.7731 0.2562 0.8567 0.0733 0.5313 0.6424 0.5928 0.6946 0.8397 0.7766 0.8569 0.6124 0.4142 0.2965 0.6555 0.2140 0.3531 0.2879 0.3248 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 6 8 6 6 7 6 6 6 8 7 6 7 7 6 16 6 6 6 6 6 6 35 6 8 6 8 6 6 6 6 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 15.99491 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 14.00307 14.00307 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 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 5355.8373 84655.1252 88707.1767 0.99999 -0.00440 0.00182 0.00440 0.99999 0.00076 -0.00182 -0.00075 1.00000 1 0.01617 0.00102 0.00098 0.33697 0.02132 0.02034 8.12 11.57 18.14 18.77 34.50 41.31 45.60 65.08 74.57 88.85 109.73 118.62 121.96 132.20 152.02 167.09 181.18 236.06 249.68 258.23 294.73 319.04 334.62 366.29 377.97 382.62 396.66 427.00 469.97 523.02 537.55 551.51 624.77 631.25 656.54 665.32 672.08 693.75 715.72 803.68 813.86 821.01 837.45 866.17 883.45 936.79 968.02 972.64 980.36 989.44 992.23 1001.60 1017.54 1084.56 1108.09 1121.91 1155.40 1164.91 1217.91 1222.93 1245.44 1276.63 1333.73 1340.37 1355.64 1366.05 1381.88 1445.77 1502.70 1537.08 1556.55 1559.18 1571.79 1578.63 1579.28 1596.15 1603.88 1619.83 1620.61 1636.54 1641.07 1656.73 1676.05 1701.08 1708.86 1729.11 1741.33 1755.52 1794.39 1802.65 1846.35 1851.63 1864.02 1866.35 1871.42 1888.19 1889.13 1919.67 1943.65 1983.56 2009.43 2021.30 2041.23 2049.62 2066.69 2089.68 2096.13 2118.30 2126.77 2143.83 2213.20 2219.07 2238.03 2271.09 2277.42 2322.58 2334.24 2340.63 2354.38 2356.47 2364.93 2367.24 2381.12 2386.64 2393.51 2399.99 2413.36 2417.53 2491.66 2520.31 2551.59 2572.79 2594.94 2604.55 2811.92 2833.17 4562.96 4588.59 4608.54 4618.89 4621.58 4657.36 4661.40 4719.23 4738.52 4743.84 4769.76 4773.63 4797.62 4830.18 4844.85 4854.33 4870.19 4889.46 4893.47 4893.96 4903.06 4920.70 5552.18 0.463434 0.492757 0.493701 0.392227 -4330.654608 -4330.625285 -4330.624341 -4330.725815 3.403455D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE COCCN(CCC(=O)Nc1nnc(s1)c2ccc(cc2)Br)C(=O)COc3ccccc3 C33779220 RHF 6-31G(d) (6D,10F) C1 518.062338 |X|Y|Z| 52.708995 23.056179 205.732300 62.997723 25 6 7 8 16 19 4 1 1 |36.858105| |13.641374|73.516695| |8.115576|24.326247|36.858105| |5.202964|14.289644|12.519512|36.858105| |4.532118|11.527860|7.635591|13.116398|53.358707| |3.883009|8.747860|5.929552|7.664102|17.798062|36.858105| |2.979382|6.419997|4.190776|5.447844|10.466856|12.457724|36.858105| |2.606280|5.330987|3.447868|4.046496|6.810287|7.578074|12.593943|36.858105| |2.658177|5.311387|3.496757|3.879869|6.133146|6.739006|7.970530|15.901783|73.516695| |2.223485|4.472004|2.796250|3.237789|5.316441|5.145832|7.841110|13.937584|15.108387|53.358707| |1.968432|3.862501|2.392176|2.670684|4.195601|3.875325|5.071767|7.787631|12.058443|18.807534|36.858105| |1.762901|3.437468|2.094251|2.330034|3.621400|3.183601|4.041013|5.316988|8.311951|11.274061|14.952337|53.358707| |1.611359|3.094457|1.877562|2.044547|3.104741|2.684344|3.220691|4.108584|6.965185|7.428867|8.693960|19.078101|53.358707| |1.646377|3.136630|1.917052|2.056921|3.088698|2.704453|3.157223|4.142312|7.524175|6.939866|8.056273|11.749692|20.368366|36.858105| |1.921359|3.688022|2.299368|2.470807|3.741775|3.442972|4.050921|5.961931|11.921739|9.373672|11.000908|10.201143|10.215698|10.889387|388.023441| |1.499517|2.818912|1.712157|1.806329|2.663073|2.281214|2.564803|3.198827|5.954487|4.995619|4.973868|7.172235|10.716265|12.891799|47.565127|36.858105| |1.362272|2.555503|1.537934|1.623935|2.385591|2.001593|2.242933|2.693142|4.880204|4.219562|3.995560|6.160315|9.080782|7.691335|32.932397|13.669145|36.858105| |1.262589|2.348923|1.407683|1.471495|2.138551|1.772522|1.947275|2.286032|4.183032|3.470026|3.126073|4.640735|6.122264|5.077770|25.769115|7.907080|13.801341|36.858105| |1.268223|2.343182|1.407246|1.455672|2.098930|1.741693|1.882947|2.209932|4.133457|3.263585|2.888673|4.094837|5.142503|4.485281|24.934718|6.877821|7.977630|13.754874|36.858105| |1.374402|2.536597|1.534032|1.579410|2.275411|1.911802|2.055843|2.456621|4.711206|3.572754|3.187254|4.337909|5.368296|5.045426|29.611452|7.898889|6.868140|7.916563|13.803011|36.858105| |1.505885|2.802863|1.707279|1.772867|2.580818|2.209608|2.414664|2.986692|5.785487|4.412268|4.131182|5.509196|7.062502|7.604676|42.435631|13.718886|7.946807|6.879916|7.987245|13.754946|36.858105| |1.141538|2.092407|1.248459|1.280767|1.828678|1.493699|1.590162|1.818374|3.390024|2.636181|2.243963|3.157343|3.755771|3.100897|18.603676|4.082743|4.604254|6.693497|10.046362|6.701891|4.604666|2539.412838| |4.182476|10.217408|5.588541|7.609822|19.000940|7.926761|6.108076|4.222672|6.598946|4.852312|2.850467|3.449796|2.955601|2.124734|17.736743|1.839528|1.670160|1.500010|1.462290|1.568608|1.766962|43.570532|36.858105| |3.559822|7.960019|4.324160|5.313598|11.607885|7.170854|6.182230|4.421501|6.712665|5.263669|3.063695|3.733312|3.161428|2.247224|18.614150|1.929020|1.754253|1.566193|1.517167|1.622439|1.835058|44.980227|15.910432|73.516695| |4.229501|10.377233|5.144292|6.546617|10.509501|5.012364|4.235537|3.199868|5.153437|3.836374|2.345984|2.911640|2.543852|1.826117|14.859419|1.609481|1.480357|1.343945|1.311898|1.396581|1.551999|39.584665|12.487329|14.213335|36.858105| |3.494389|7.741528|3.808129|4.457118|7.177246|4.004149|3.605973|2.844935|4.558175|3.545966|2.201499|2.787090|2.443301|1.736708|13.844683|1.536957|1.427518|1.298422|1.261304|1.332459|1.473558|38.199462|8.081826|13.032874|13.730807|73.516695| |3.161275|6.681819|3.259477|3.650497|5.398229|3.153091|2.898064|2.377448|3.871887|3.010409|1.912683|2.452255|2.179663|1.550407|12.183600|1.388381|1.300144|1.191588|1.158853|1.217985|1.335013|35.405849|5.230172|8.583356|8.050220|25.074732|36.858105| |2.658735|5.373846|2.670196|2.925729|4.371637|2.706299|2.555169|2.156836|3.513986|2.792973|1.799421|2.339631|2.091066|1.478751|11.446826|1.330414|1.255641|1.153643|1.118233|1.168198|1.274850|34.288860|4.091460|7.281314|5.281994|14.606671|13.669754|36.858105| |2.370868|4.660511|2.331706|2.502798|3.614008|2.282002|2.170153|1.871751|3.084110|2.440133|1.596371|2.090200|1.888623|1.338178|10.264335|1.215123|1.153534|1.066576|1.035321|1.077556|1.167781|31.977136|3.202334|5.627882|3.999683|9.429150|7.938351|13.831854|36.858105| |2.397270|4.685558|2.339520|2.485663|3.462534|2.167186|2.046388|1.769212|2.941616|2.289747|1.503640|1.962382|1.782060|1.269552|9.760208|1.157967|1.098597|1.019387|0.993118|1.034840|1.118275|30.783512|2.974193|5.045083|3.793571|8.197669|6.842804|7.917993|13.688648|36.858105| |2.744375|5.474928|2.704048|2.884311|3.910256|2.377367|2.210709|1.885335|3.142339|2.405759|1.568291|2.028114|1.836493|1.314325|10.206628|1.195809|1.128279|1.045485|1.021393|1.069093|1.158369|31.588017|3.337477|5.428248|4.516659|9.232409|7.943893|6.895898|7.980536|13.817135|36.858105| |3.232722|6.779375|3.290677|3.610530|4.946928|2.877038|2.627640|2.181347|3.606975|2.745345|1.761425|2.255503|2.022571|1.448038|11.379813|1.306246|1.224106|1.127815|1.101509|1.158357|1.263729|33.831831|4.401682|6.879074|6.735753|13.964677|13.751595|7.922189|6.873034|7.897600|13.687135|36.858105| |17.516038|16.457897|7.197331|4.698552|5.310164|3.397891|2.698527|2.394914|4.376005|2.801690|1.841011|2.253349|2.074162|1.561526|12.892760|1.432342|1.304324|1.214637|1.223944|1.325736|1.444833|37.684864|3.547476|5.403782|3.656577|5.431792|2.841788|2.411379|2.194792|2.257805|2.596858|2.989030|0.500000| |17.524852|16.468434|7.209785|4.759019|5.953922|4.020201|3.040357|2.725956|5.043947|3.139532|2.054524|2.485925|2.281059|1.726661|14.465082|1.574739|1.421891|1.318018|1.329922|1.449953|1.591739|40.645918|3.959068|6.211897|3.756551|5.651519|2.837042|2.445483|2.178275|2.169176|2.427519|2.823170|0.299327|0.500000| |17.632065|16.886444|5.860402|4.356410|5.465081|3.436077|2.717062|2.383831|4.267456|2.822119|1.844736|2.272961|2.081759|1.553593|12.721588|1.419547|1.298354|1.206140|1.208458|1.302249|1.420600|37.165207|3.969343|6.154153|4.195248|6.440930|3.360220|2.844727|2.549965|2.582736|2.948483|3.444699|0.299680|0.299783|0.500000| |7.369704|16.564257|17.506896|8.826864|9.479138|6.486352|4.379918|3.755093|7.051303|4.044627|2.555883|3.000633|2.700075|2.050901|17.837558|1.830260|1.627474|1.487841|1.495766|1.645260|1.840318|44.950988|5.045177|7.405585|4.322798|6.008063|2.885358|2.435398|2.133398|2.114235|2.387720|2.845632|0.178833|0.219733|0.148447|0.500000| |7.147493|16.539467|17.478076|8.897760|7.603638|4.630175|3.573538|3.043615|5.550579|3.428667|2.195488|2.638523|2.390911|1.799316|15.198631|1.623384|1.463915|1.348315|1.352781|1.472903|1.627514|41.107149|4.373244|6.252889|4.278105|5.854826|2.937006|2.433548|2.173211|2.219741|2.579295|3.062839|0.211563|0.171800|0.146159|0.301158|0.500000| |4.267310|10.278538|8.927649|17.558836|12.541947|7.261063|5.722368|4.344325|7.509990|4.656223|2.821895|3.319270|2.911860|2.163817|18.685856|1.894545|1.694278|1.531737|1.517140|1.652331|1.862252|45.246414|5.790236|7.940512|4.984743|6.556507|3.114138|2.573456|2.240935|2.232164|2.556505|3.099524|0.112443|0.112438|0.100085|0.210966|0.220100|0.500000| |4.844226|13.078684|8.942988|17.639898|12.411547|5.641868|4.540010|3.443474|5.779903|3.924618|2.409782|2.922245|2.575252|1.885918|15.735064|1.667653|1.515995|1.379525|1.360205|1.463686|1.630144|41.000772|7.138248|8.791552|7.628385|8.750448|4.133206|3.195588|2.739400|2.771143|3.315261|4.262548|0.125028|0.117122|0.117852|0.174188|0.214300|0.305112|0.500000| |3.906776|8.413169|5.218387|5.880858|12.438197|17.631536|8.866701|6.823640|11.193966|6.717458|3.828046|4.306773|3.659675|2.716834|24.476761|2.299514|2.016527|1.787648|1.758898|1.932451|2.232230|51.329084|7.367148|13.690302|4.703529|7.050219|3.113094|2.725032|2.287414|2.144593|2.319663|2.786138|0.092664|0.116146|0.098024|0.163988|0.113679|0.147971|0.128817|0.500000| |4.017450|8.791752|6.549916|7.647519|12.523869|17.652473|8.892973|7.089463|13.241752|6.433546|3.742977|4.138880|3.572127|2.709380|25.107090|2.311239|2.008203|1.788497|1.777245|1.972029|2.279580|51.915395|5.814235|9.186129|4.212645|6.030610|2.783512|2.404128|2.071293|1.997213|2.198997|2.617384|0.099856|0.118284|0.095498|0.221339|0.144696|0.224848|0.149875|0.303519|0.500000| |2.851620|6.184446|4.143470|5.667894|9.621988|8.826887|17.510185|9.052193|11.751068|9.004715|4.591990|5.140857|4.155156|2.982738|26.558717|2.451860|2.163014|1.887226|1.824012|1.982104|2.310368|52.703367|5.495055|9.176648|4.125004|6.143498|2.838520|2.482039|2.131483|2.036660|2.220262|2.631537|0.073277|0.079309|0.071934|0.116234|0.101480|0.180080|0.134840|0.173685|0.210552|0.500000| |2.802378|6.009968|3.715671|4.764658|9.399825|8.853530|17.612426|8.851456|10.526340|10.154886|4.859493|5.564736|4.355846|3.038132|26.317228|2.468942|2.196883|1.904362|1.821698|1.962776|2.289193|52.523858|6.568388|13.313369|4.483262|7.089907|3.139031|2.800581|2.340985|2.168313|2.315468|2.762259|0.070073|0.078622|0.072720|0.104895|0.088393|0.131411|0.116980|0.214490|0.174370|0.302346|0.500000| |2.154333|4.363189|2.684443|3.161174|5.259638|4.807496|7.448774|9.263084|10.833060|26.003180|9.514045|10.667485|6.876994|4.427951|37.362853|3.295924|2.895960|2.398424|2.228239|2.388160|2.880629|62.058639|3.676456|7.250794|2.923959|4.887580|2.326369|2.172675|1.888341|1.758265|1.837532|2.098765|0.055313|0.061341|0.056362|0.077534|0.067174|0.091455|0.079918|0.127917|0.117701|0.180504|0.231327|0.500000| |1.344210|2.534289|1.519829|1.618389|2.391002|1.994502|2.263135|2.689465|4.749660|4.318544|4.082109|6.732731|10.265154|7.154325|30.718216|8.925982|17.762316|8.938598|5.664648|4.952991|5.657620|130.240564|1.687981|3.168915|1.498274|2.583193|1.323844|1.283446|1.178541|1.118945|1.145714|1.242153|0.035684|0.038787|0.035698|0.044385|0.040103|0.046790|0.042173|0.055720|0.054957|0.060754|0.062420|0.084248|0.500000| |1.185881|2.204220|1.314383|1.374763|1.994126|1.635556|1.793062|2.069016|3.743536|3.137922|2.765120|4.156607|5.311266|4.132419|21.818052|5.631348|8.926778|17.755985|8.917516|5.642847|4.958623|219.874455|1.408317|2.614884|1.271016|2.194501|1.138466|1.107080|1.027394|0.981897|1.003805|1.078347|0.031730|0.034262|0.031587|0.038377|0.035038|0.039633|0.036014|0.045792|0.045621|0.048460|0.049085|0.061189|0.214990|0.500000| |1.364165|2.500140|1.512044|1.541443|2.202527|1.842908|1.950796|2.306490|4.477452|3.277003|2.842702|3.788269|4.490394|4.104522|26.248773|5.629842|4.952658|5.639465|8.927117|17.758147|8.908974|219.902087|1.513521|2.767271|1.353167|2.289570|1.180450|1.130462|1.045231|1.006977|1.041904|1.127180|0.036685|0.040096|0.035862|0.045187|0.040502|0.044780|0.039657|0.051780|0.053237|0.052322|0.051461|0.060830|0.107578|0.124194|0.500000| |1.620438|3.011950|1.848832|1.907978|2.771537|2.404671|2.600121|3.272430|6.586101|4.683907|4.320983|5.408840|6.472652|6.958308|48.900213|8.871448|5.636127|4.956105|5.685110|8.989356|17.720997|130.654693|1.874686|3.444264|1.635185|2.737417|1.388950|1.318266|1.204010|1.154950|1.201707|1.316520|0.043170|0.047885|0.042200|0.055938|0.048896|0.055882|0.048293|0.067521|0.069917|0.068734|0.067339|0.083004|0.124021|0.107629|0.216922|0.500000| |3.767462|9.066797|4.866857|6.650311|9.487877|4.630283|4.143511|3.121266|5.005766|3.770852|2.308271|2.878251|2.513663|1.798942|14.569219|1.586296|1.463106|1.328589|1.294760|1.375196|1.526467|39.103537|8.883176|11.006932|17.525685|16.606470|7.096776|4.798728|3.815947|3.750970|4.588179|6.757285|0.094560|0.092776|0.101697|0.111801|0.118249|0.147687|0.244934|0.114959|0.111207|0.118616|0.120253|0.080280|0.041214|0.034956|0.036980|0.044566|0.500000| |5.321279|13.884774|5.989694|6.750240|9.414496|4.628275|3.741495|2.937803|4.879475|3.491722|2.174107|2.691029|2.382557|1.728669|14.100561|1.538459|1.413393|1.291320|1.268941|1.354640|1.497943|38.494633|8.892380|11.014105|17.606763|16.533487|7.109441|4.791607|3.816019|3.759751|4.613970|6.819759|0.124367|0.123999|0.149378|0.133310|0.136892|0.137222|0.220999|0.122852|0.113679|0.101074|0.105700|0.072550|0.039507|0.033909|0.036673|0.044007|0.300716|0.500000| |2.537296|5.099705|2.565159|2.817880|4.347457|2.760896|2.639744|2.239757|3.620905|2.931453|1.886738|2.464439|2.194115|1.543279|11.899873|1.383575|1.307340|1.197551|1.156790|1.206625|1.319607|35.367679|4.125776|7.809289|4.905358|13.564571|8.962556|17.738721|8.881183|5.622136|4.965846|5.658924|0.063459|0.066093|0.074907|0.066172|0.064345|0.069332|0.083315|0.078516|0.067351|0.070131|0.081900|0.063830|0.037230|0.031932|0.032339|0.037821|0.121046|0.120614|0.500000| |2.126759|4.115903|2.081911|2.219137|3.219780|2.081555|2.001503|1.752305|2.891721|2.309001|1.524044|2.010838|1.825324|1.290037|9.808856|1.175728|1.121624|1.039330|1.007191|1.044324|1.128230|31.196027|2.811200|5.053422|3.342724|7.626392|5.650607|8.973876|17.712452|8.892813|5.663152|4.951664|0.054898|0.054999|0.063382|0.053632|0.054082|0.055865|0.066422|0.058379|0.052682|0.054413|0.060114|0.049716|0.031893|0.027891|0.028121|0.032195|0.088675|0.088607|0.214428|0.500000| |2.161783|4.148613|2.092762|2.199029|3.035461|1.932713|1.836656|1.609680|2.691475|2.094565|1.388157|1.819996|1.663525|1.186125|9.062780|1.087962|1.036132|0.965218|0.941017|0.978002|1.052233|29.303363|2.548190|4.350645|3.134441|6.505715|4.936890|5.637115|8.874240|17.724918|8.919011|5.624611|0.057237|0.054684|0.064578|0.052957|0.055781|0.055577|0.067505|0.053168|0.049964|0.050913|0.053752|0.044569|0.029310|0.025889|0.026470|0.030122|0.086858|0.087042|0.123644|0.213912|0.500000| |2.668929|5.244791|2.613984|2.747287|3.617091|2.216196|2.060287|1.773204|2.980229|2.258704|1.481761|1.915673|1.744191|1.253007|9.723328|1.145376|1.081436|1.005496|0.984908|1.031004|1.113572|30.567633|2.980640|4.804506|3.913255|7.447673|5.658375|4.963330|5.658595|8.937571|17.709710|8.939726|0.071714|0.065180|0.079282|0.063904|0.070782|0.068445|0.088149|0.059668|0.057816|0.057975|0.059156|0.047644|0.030440|0.026832|0.027980|0.032105|0.113180|0.113930|0.107735|0.124232|0.214804|0.500000| |3.638928|7.891200|3.815580|4.209069|5.463469|3.080186|2.763139|2.273370|3.782977|2.819110|1.802003|2.288066|2.051504|1.476914|11.710615|1.331509|1.242060|1.144200|1.121048|1.183573|1.293151|34.395580|4.674617|6.917661|7.435122|12.442052|8.866460|5.625234|4.955386|5.646083|8.934566|17.757128|0.094466|0.086040|0.105790|0.088660|0.099712|0.098706|0.145454|0.081237|0.078751|0.077850|0.079066|0.059370|0.034894|0.030311|0.032056|0.037577|0.223394|0.227741|0.124152|0.107558|0.124229|0.217288|0.500000| 4328.792070 -17101.135885 5328.716825 -296.824834 -7740.451823 3407.118977 -4333.332846 2.001049 4062000000000003 45007B36B149D2D8 447FB931740B3598 41F043952FFFFFFE 38B4A90CDFFFFFFF 4414249D8A1AAD6A