Version2.0 2020-01-30T16:07:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 14-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCOC(=O)c1ccc(cc1)n2c(c(c3c2nc4ccccc4n3)C(=O)NCc5cccs5)N C02265060 RHF 6-31G(d) (6D,7F) CCCCOC(=O)c1ccc(cc1)n2c(c(c3c2nc4ccccc4n3)C(=O)NCc5cccs5)N C01[X(C27H25N5O3S1)] 177 C1 594 CCCCOC(=O)c1ccc(cc1)n1c(N)c(c2c1nc1ccccc1n2)C(=O)NCc1cccs1 CCCCOC(=O)c1ccc(cc1)n1c(N)c(c2c1nc1ccccc1n2)C(=O)NCc1cccs1 CCCCOC(=O)c1ccc(cc1)n2c(N)c(C(=O)NCc3sccc3)c4nc5ccccc5nc24 InChIKey=BAFYGYHJLSNWNF-UHFFFAOYSA-N InChI=1S/C27H25N5O3S/c1-2-3-14-35-27(34)17-10-12-18(13-11-17)32-24(28)22(26(33)29-16-19-7-6-15-36-19)23-25(32)31-21-9-5-4-8-20(21)30-23/h4-13,15H,2-3,14,16,28H2,1H3,(H,29,33) InChI=1/C27H25N5O3S/c1-2-3-14-35-27(34)17-10-12-18(13-11-17)32-24(28)22(26(33)29-16-19-7-6-15-36-19)23-25(32)31-21-9-5-4-8-20(21)30-23/h4-13,15H,2-3,14,16,28H2,1H3,(H,29,33)/f/h29H CCCCOC(=O)c1ccc(cc1)n2c(c(c3c2nc4ccccc4n3)C(=O)NCc5cccs5)N C01[X(C27H25N5O3S1)] 177 C01 594 CCCCOC(=O)c1ccc(cc1)n1c(N)c(c2c1nc1ccccc1n2)C(=O)NCc1cccs1 CCCCOC(=O)c1ccc(cc1)N1C2=Nc3ccccc3N[C@@H]2[C@@H]([C@H]1N)C(=O)NCc1cccs1 CCCCOC(=O)c1ccc(cc1)N2[C@H](N)[C@H]([C@H]3Nc4ccccc4N=C23)C(=O)NCc5sccc5 InChIKey=LODLTFRKZNLLGY-VXNXHJTFSA-N InChI=1S/C27H29N5O3S/c1-2-3-14-35-27(34)17-10-12-18(13-11-17)32-24(28)22(26(33)29-16-19-7-6-15-36-19)23-25(32)31-21-9-5-4-8-20(21)30-23/h4-13,15,22-24,30H,2-3,14,16,28H2,1H3,(H,29,33)/t22-,23+,24-/m0/s1 InChI=1/C27H29N5O3S/c1-2-3-14-35-27(34)17-10-12-18(13-11-17)32-24(28)22(26(33)29-16-19-7-6-15-36-19)23-25(32)31-21-9-5-4-8-20(21)30-23/h4-13,15,22-24,30H,2-3,14,16,28H2,1H3,(H,29,33)/t22-,23+,24-/m0/s1/f/h29H 3645.4446656963 -1931.422329 1-A 31784.4703 131 463 594 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.95861 -20.61562 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1393.1509 1411.8814 1418.2434 1420.8686 1442.3560 1449.0552 1451.0786 1459.8304 1461.8731 1469.6324 1504.7368 1531.4259 1532.6412 1564.5001 1568.5411 1569.1603 1588.6910 1594.8498 1635.3832 1636.6870 1639.6061 1643.8137 1644.2108 1649.4882 1652.7113 1654.8732 1669.6744 1671.9510 1698.9740 1705.0960 1747.6352 1770.6429 1772.8233 1795.7789 1815.8344 1819.6408 1825.2369 1872.1263 1877.8340 1990.9014 3192.0984 3200.7359 3209.5137 3214.7043 3215.5652 3244.5321 3257.3066 3265.2290 3268.5749 3309.5046 3317.8681 3362.6086 3377.3065 3383.9588 3389.1597 3392.3786 3397.3111 3401.5391 3401.6508 3417.0605 3423.6809 3440.6555 3778.6168 3828.1767 3942.6805 6.5272 4.8315 6.6836 5.7396 5.0470 5.4668 3.9928 4.6646 1.9769 5.7322 5.3247 6.3472 5.0730 6.3991 5.3235 2.2062 5.0052 6.3345 5.0133 3.7741 4.9471 5.0154 5.7488 5.3950 1.1666 4.7996 3.2745 1.9199 3.0912 4.1260 4.1245 4.2326 5.9144 5.9805 5.0232 5.1134 4.8304 2.9402 3.6561 6.5995 7.6480 4.9412 3.5393 5.3738 3.7449 6.0705 3.4365 6.6507 3.7879 7.9044 1.3024 3.5877 4.4962 1.6344 2.9494 4.1818 8.3415 5.5550 6.5796 1.2940 2.8065 2.1716 1.7559 5.7326 5.8636 3.8133 1.4324 4.3177 1.3017 5.3114 4.5963 4.3719 4.9273 1.4474 3.0916 1.3693 1.8888 1.5819 2.3566 5.7193 1.1545 1.3480 2.9968 1.3352 3.7533 2.6564 1.4263 3.4103 1.3105 1.7264 2.0033 1.8730 2.5746 2.1819 3.6966 2.6409 1.7991 1.1872 2.5607 2.6681 1.5374 3.8953 3.2909 2.9214 1.3552 2.2386 1.6978 2.4211 2.7472 1.3116 1.2721 2.5041 5.3247 1.4600 2.2140 1.3781 1.1079 1.5250 1.0767 3.3439 4.0060 2.4090 1.7380 1.7193 1.4280 2.7366 1.3118 2.6948 1.6258 4.7923 3.1469 1.0590 3.1887 1.0903 1.0415 5.8339 1.1424 1.0945 1.2686 2.3669 3.0759 4.2226 2.0221 5.4519 6.4715 3.2314 5.8790 3.5683 3.4264 9.9804 6.6816 12.4926 1.0586 1.0409 1.0585 1.0727 1.1040 1.1058 1.0584 1.1043 1.1023 1.1111 1.0932 1.0877 1.0910 1.0916 1.0922 1.0956 1.0983 1.0919 1.0945 1.0948 1.0952 1.0996 1.0513 1.0804 1.1016 0.0001 0.0003 0.0011 0.0022 0.0027 0.0034 0.0041 0.0082 0.0045 0.0173 0.0169 0.0265 0.0279 0.0483 0.0482 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6.8586 6.6164 6.9368 6.9382 7.1702 7.0903 7.2465 7.3322 7.3648 7.3913 7.4287 7.4683 7.4438 7.4621 7.5313 7.5635 7.6692 8.8436 9.3285 10.0890 0.0768 0.3013 0.2120 0.1446 0.5092 0.8755 1.3199 0.1182 0.3300 1.5596 2.0720 0.0879 2.0941 4.4192 0.9457 0.1159 1.5541 3.9257 3.9393 2.3789 6.3756 2.3231 1.1158 4.2810 0.5350 19.3033 9.1741 127.4977 39.9638 9.0830 29.3236 30.4329 19.6103 7.2489 8.1382 6.9439 15.8525 1.1736 7.1878 5.4046 12.8093 8.0187 2.4414 2.9567 27.5993 17.6943 3.9783 1.6116 0.7287 31.2416 91.4090 26.9282 2.5798 54.0209 7.0547 16.6284 3.5683 10.0592 15.3217 8.7383 9.5340 52.4214 26.9478 1.5164 7.5899 30.0900 96.1759 32.0805 14.4979 1.9014 28.0286 9.2959 26.8573 2.8045 5.1368 9.9816 12.6071 0.1903 0.8126 5.3911 0.1711 1.3375 23.5051 1.6897 28.6698 1.1390 0.2705 0.2724 0.0129 9.2415 17.8986 18.3111 29.4418 6.2022 2.5514 23.8355 0.1318 0.4677 19.9181 70.7695 10.3023 113.1852 18.3703 41.9149 58.3715 32.6803 2.6829 69.8992 92.5962 4.2844 1.8261 21.1292 51.8580 26.0706 289.6258 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 9950.7912 50167.4278 54983.2053 0.99995 -0.00039 0.01013 0.00029 0.99995 0.01018 -0.01013 -0.01017 0.99990 1 0.00870 0.00173 0.00158 0.18137 0.03597 0.03282 8.42 15.78 23.79 36.30 43.59 46.82 59.87 78.60 88.94 102.93 105.47 121.16 139.08 162.79 178.44 192.95 216.05 241.21 252.59 271.61 293.62 325.84 350.67 369.04 383.16 409.22 424.57 436.91 451.24 473.00 506.27 526.30 545.12 579.28 607.63 650.09 656.75 667.46 680.41 708.85 742.49 779.53 798.15 819.66 827.98 838.56 885.07 892.95 901.19 936.61 961.44 984.30 999.55 1014.83 1023.83 1062.37 1069.90 1114.58 1117.56 1148.10 1150.30 1161.15 1164.48 1178.97 1223.37 1235.27 1239.09 1245.89 1262.14 1271.47 1279.67 1332.33 1345.12 1373.38 1381.21 1387.46 1407.38 1408.69 1418.51 1474.03 1487.19 1504.89 1545.72 1568.61 1574.11 1590.63 1594.77 1603.61 1608.79 1612.34 1613.62 1623.29 1646.88 1651.86 1668.82 1708.35 1720.40 1741.26 1766.46 1785.25 1792.74 1816.13 1821.71 1850.49 1869.37 1871.14 1878.08 1890.22 1915.71 1955.88 1979.56 1981.24 2004.43 2031.38 2040.54 2044.31 2075.23 2084.87 2087.78 2100.37 2103.31 2114.47 2164.98 2203.38 2205.13 2250.97 2256.78 2257.67 2285.77 2294.63 2352.95 2354.83 2359.03 2365.08 2365.65 2373.25 2377.88 2380.99 2402.29 2405.56 2444.44 2453.25 2514.46 2547.56 2550.70 2583.73 2612.58 2618.06 2626.11 2693.57 2701.78 2864.46 4592.72 4605.15 4617.77 4625.24 4626.48 4668.16 4686.54 4697.94 4702.75 4761.64 4773.67 4838.04 4859.19 4868.76 4876.24 4880.88 4887.97 4894.06 4894.22 4916.39 4925.91 4950.34 5436.59 5507.89 5672.64 0.519121 0.549425 0.550369 0.450436 -1930.903208 -1930.872904 -1930.871960 -1930.971893 3.351769D-04 MUNgauss RevisionA2.0 retrievium 30-Jan-2020 DUDE CCCCOC(=O)c1ccc(cc1)n2c(c(c3c2nc4ccccc4n3)C(=O)NCc5cccs5)N C02265060 RHF 6-31G(d) (6D,10F) C1 499.167812 |X|Y|Z| 161.464600 64.216377 39.873556 74.496528 27 6 7 16 22 4 1 |36.858105| |12.467029|36.858105| |7.487946|12.450129|36.858105| |4.893938|7.538447|12.560068|36.858105| |3.872484|5.076955|8.019972|13.355290|73.516695| |3.100664|3.917495|5.269657|8.110523|25.656391|36.858105| |2.914012|3.725051|4.609785|7.181414|15.297483|15.999216|73.516695| |2.632431|3.123375|4.051591|5.178202|14.424990|12.753858|14.302544|36.858105| |2.233261|2.604801|3.182370|3.955676|9.379040|7.708809|12.048260|13.721136|36.858105| |1.978820|2.241107|2.683346|3.146377|7.129783|5.077053|8.077455|7.929225|13.777156|36.858105| |1.984507|2.204107|2.662301|2.995661|6.838109|4.470935|6.779092|6.882661|7.954569|13.727793|36.858105| |2.247093|2.490033|3.108092|3.428530|8.196764|5.029918|7.101607|7.927986|6.866376|7.911512|13.742954|36.858105| |2.641886|3.020054|3.970074|4.564330|12.318477|7.546231|9.372647|13.710791|7.927268|6.865647|7.956966|13.777860|36.858105| |1.749801|1.905792|2.243551|2.454844|5.337768|3.351943|5.297521|4.546211|5.154239|7.831379|13.392044|7.846272|5.158319|53.358707| |1.602212|1.735407|2.008022|2.186614|4.628167|2.891838|4.702112|3.715677|4.259382|6.017128|7.624928|5.391735|4.016689|18.838580|36.858105| |1.460737|1.562949|1.783759|1.911264|3.958446|2.420989|3.981161|2.982604|3.316082|4.334368|5.214856|4.149666|3.230224|11.377919|13.744484|36.858105| |1.483702|1.580298|1.808355|1.922034|3.988887|2.411774|3.929899|2.971655|3.227593|4.152709|5.190239|4.295418|3.294161|11.327177|8.437580|13.285297|36.858105| |1.658037|1.781834|2.075702|2.225475|4.738922|2.888983|4.602869|3.717123|4.018482|5.392831|7.617189|6.022056|4.262692|18.622421|8.492596|8.237714|13.166723|36.858105| |1.716731|1.837642|2.146569|2.279879|4.849645|2.905368|4.592846|3.677488|3.815750|4.769084|6.381359|5.799795|4.292507|10.882878|5.483664|5.383820|7.895593|15.034365|53.358707| |1.570973|1.659567|1.903990|1.990625|4.117079|2.424385|3.904228|2.922883|3.007921|3.581256|4.383587|4.136905|3.319563|7.263772|4.314173|4.683244|7.121312|8.572962|18.865756|36.858105| |1.581377|1.657835|1.890135|1.952029|3.983054|2.305132|3.722766|2.697149|2.708079|3.069695|3.598868|3.576014|3.041603|5.433603|3.311982|3.479569|4.666505|5.419139|10.812747|13.525141|36.858105| |1.443833|1.499270|1.682987|1.722936|3.447111|1.981464|3.243877|2.260845|2.273674|2.535260|2.884388|2.860199|2.502458|4.349046|2.799553|3.017556|3.903945|4.117232|7.110408|7.921583|13.966940|36.858105| |1.326677|1.375526|1.533625|1.572714|3.129397|1.808143|2.984139|2.059465|2.098869|2.364455|2.675157|2.596891|2.258587|4.163074|2.795157|3.145424|4.087933|3.938748|6.236901|6.844667|7.922895|13.509572|36.858105| |1.318894|1.374471|1.538265|1.589353|3.185077|1.858562|3.066685|2.146966|2.220253|2.562290|2.936416|2.775379|2.356485|4.794950|3.294672|3.908562|5.373411|4.715246|7.014906|7.849799|6.836213|7.911840|13.970208|36.858105| |1.423630|1.496584|1.695770|1.768969|3.606270|2.126600|3.475244|2.523474|2.635697|3.144163|3.739685|3.442175|2.806291|6.487175|4.299271|5.208839|8.459465|7.241107|10.696949|13.546843|7.827994|6.819912|7.910373|13.502053|36.858105| |1.389395|1.466303|1.660344|1.744386|3.562109|2.122852|3.485864|2.539126|2.705835|3.312409|3.947657|3.481959|2.797183|7.394100|5.400266|7.655299|14.803201|8.002720|9.118105|7.853213|5.150207|4.577433|5.226377|7.947754|13.918627|53.358707| |1.333927|1.419019|1.597257|1.701377|3.455389|2.097302|3.504471|2.497429|2.754054|3.412369|3.832240|3.221490|2.649548|7.068236|7.615265|13.059961|7.252266|5.081453|5.249554|3.601800|2.847811|2.585862|2.767803|3.412128|4.148854|7.978579|36.858105| |1.318901|1.406576|1.577122|1.686739|3.407183|2.076674|3.500077|2.448158|2.715358|3.308091|3.581757|3.029527|2.553043|6.172046|6.674974|8.146885|5.148209|4.125801|4.421037|2.988958|2.448099|2.233474|2.354437|2.801814|3.299204|5.826646|15.625412|73.516695| |1.243297|1.312177|1.464945|1.545225|3.102453|1.860705|3.120753|2.174491|2.357991|2.835542|3.158473|2.756586|2.311444|5.581363|5.185816|8.008175|6.393421|4.370489|4.811856|3.530243|2.831728|2.658622|2.957301|3.746803|4.336711|8.524910|14.130594|15.022250|53.358707| |1.144948|1.203294|1.329847|1.397042|2.768215|1.651736|2.797112|1.891346|2.038225|2.382251|2.580481|2.302145|1.986791|4.302591|3.851155|5.082936|4.308591|3.282672|3.798282|2.816264|2.364791|2.274557|2.536181|3.097385|3.364354|5.948620|7.762858|12.099001|17.938780|36.858105| |1.098519|1.144946|1.259938|1.309401|2.578310|1.519016|2.564871|1.721502|1.820630|2.088808|2.282037|2.097131|1.825593|3.722937|3.173354|4.016417|3.696611|2.901959|3.476554|2.647268|2.273001|2.236736|2.536283|3.072854|3.187981|5.384251|5.266804|8.340903|10.574364|12.661211|36.858105| |1.027060|1.066854|1.166412|1.208352|2.360793|1.385999|2.351729|1.553800|1.637421|1.854409|2.002184|1.856189|1.638355|3.197775|2.642071|3.229852|3.100226|2.512667|3.096391|2.399554|2.112604|2.124334|2.436266|2.896053|2.878060|4.632952|3.945697|6.386488|7.268758|7.455775|14.145537|36.858105| |0.998783|1.030861|1.123472|1.154591|2.245585|1.306556|2.211881|1.454328|1.513409|1.693596|1.836751|1.735216|1.542554|2.887989|2.336523|2.778465|2.725546|2.272503|2.853811|2.225877|1.997524|2.032194|2.328940|2.705980|2.632911|4.082325|3.240426|5.316176|5.571522|5.032902|8.186673|13.255791|36.858105| |1.041474|1.072153|1.171876|1.199217|2.338521|1.353933|2.278744|1.510736|1.559567|1.744203|1.914856|1.827998|1.618042|3.013288|2.440322|2.888334|2.820716|2.361760|2.955709|2.288222|2.045241|2.062710|2.340208|2.715870|2.684790|4.169681|3.345398|5.499398|5.609554|4.811970|7.673895|8.244754|14.180496|36.858105| |1.132615|1.172800|1.292854|1.330584|2.621410|1.526569|2.555787|1.727217|1.793051|2.037297|2.267810|2.140762|1.861462|3.658387|3.067036|3.747803|3.503469|2.837943|3.433672|2.600909|2.252206|2.210390|2.476576|2.948553|3.066810|5.022918|4.584907|7.427370|7.895716|6.714960|10.964223|7.473992|7.461742|11.030488|388.023441| |1.609536|1.754417|2.022608|2.225280|4.683503|2.964209|4.889971|3.753382|4.391330|5.951403|6.535113|4.853642|3.885246|10.985474|14.337612|7.829829|5.355207|5.429739|5.535319|3.333621|2.712948|2.348104|2.339182|2.684117|3.309255|5.400445|6.364033|12.222718|5.993814|3.546132|2.916368|2.443941|2.171769|2.268826|20.146673|53.358707| |17.541062|8.776299|6.786759|4.520271|6.669603|3.006868|4.958749|2.602723|2.203970|1.969141|1.994345|2.273538|2.657088|2.402058|1.624024|1.479887|1.496845|1.666959|2.335386|1.569081|1.570450|1.434462|1.323884|1.321295|1.427835|1.904846|1.354878|2.387304|1.716893|1.162761|1.117994|1.043072|1.016655|1.064273|8.245684|2.228336|0.500000| |17.556661|8.782193|5.462482|4.061626|5.796399|2.717593|4.651865|2.327777|2.017938|1.799875|1.794203|2.000069|2.312571|2.174532|1.474584|1.352238|1.370666|1.518914|2.135071|1.446173|1.457738|1.341007|1.237773|1.229304|1.319340|1.754859|1.243255|2.190174|1.583168|1.076840|1.034802|0.970928|0.945298|0.983533|7.571733|2.020705|0.301695|0.500000| |17.541421|8.776529|6.787124|4.520391|6.670119|3.007488|4.959349|2.603488|2.205701|1.970807|1.994843|2.272804|2.656455|2.402410|1.604529|1.470131|1.507208|1.690086|2.407369|1.625928|1.653123|1.510266|1.378413|1.361122|1.465013|1.930329|1.337309|2.335926|1.703298|1.149674|1.106122|1.035811|1.008844|1.051887|8.115419|2.171653|0.301630|0.301695|0.500000| |8.864263|17.514994|8.848056|6.922505|8.357988|3.789083|6.609474|3.006506|2.550208|2.189159|2.129836|2.372442|2.854293|2.513266|1.678092|1.517228|1.540582|1.736904|2.451522|1.633339|1.642025|1.488339|1.361701|1.354925|1.470511|1.952968|1.377323|2.421438|1.738771|1.172247|1.114238|1.041543|1.004866|1.040827|8.069584|2.299451|0.173007|0.213032|0.210826|0.500000| |8.864100|17.514502|8.847550|6.922355|8.357163|3.787927|6.608204|3.005377|2.547584|2.186913|2.129252|2.373288|2.855101|2.512882|1.700275|1.527885|1.529608|1.712020|2.376177|1.576148|1.561486|1.416136|1.309427|1.315905|1.433196|1.926788|1.396402|2.478382|1.753139|1.186030|1.126288|1.048874|1.012530|1.052734|8.196673|2.366559|0.210818|0.213029|0.173008|0.303874|0.500000| |6.853614|8.827744|17.531816|8.930639|13.064554|4.948240|7.508587|4.013937|3.138257|2.687577|2.715076|3.220670|4.093955|3.124071|2.067291|1.831053|1.844410|2.109444|2.941647|1.912868|1.882668|1.676573|1.536493|1.549759|1.712691|2.296790|1.643131|2.893987|2.045230|1.364331|1.295111|1.194697|1.153292|1.209147|9.521991|2.850700|0.203287|0.140177|0.168721|0.173385|0.211226|0.500000| |6.853085|8.827474|17.532986|8.931587|13.068234|4.951049|7.510847|4.016737|3.143261|2.691807|2.716315|3.218554|4.091588|3.124826|2.027715|1.812758|1.863790|2.156638|3.088715|2.018091|2.029432|1.800561|1.623132|1.614776|1.777614|2.341621|1.612227|2.804257|2.022471|1.343426|1.276843|1.183873|1.141978|1.191160|9.323896|2.735370|0.168698|0.140171|0.203279|0.211240|0.173378|0.303199|0.500000| |4.513621|6.805909|8.799168|17.612772|16.526179|7.274820|12.921252|4.757551|3.815538|3.034994|2.840102|3.166270|4.088965|3.195572|2.087693|1.839189|1.861822|2.153018|3.028475|1.956209|1.935896|1.713682|1.558415|1.565993|1.734693|2.314350|1.638563|2.878067|2.036002|1.354368|1.268544|1.175862|1.121872|1.159401|9.103307|2.871028|0.110892|0.108100|0.119222|0.204860|0.169736|0.173683|0.212047|0.500000| |4.513299|6.804931|8.798673|17.611526|16.524203|7.268046|12.913158|4.753790|3.807149|3.029281|2.838994|3.168661|4.091952|3.195050|2.131264|1.858491|1.842576|2.106093|2.889322|1.859793|1.807055|1.605568|1.481128|1.506402|1.674142|2.271060|1.671237|2.975797|2.059410|1.375930|1.286566|1.186548|1.132670|1.176065|9.288360|3.005916|0.119216|0.108091|0.110888|0.169705|0.204823|0.212039|0.173688|0.302357|0.500000| |2.171103|2.558287|3.045857|3.871751|8.601515|7.212230|13.582402|8.948300|17.757286|8.909784|5.649093|4.951768|5.651956|5.677042|3.656399|2.943802|2.841539|3.394413|4.410182|2.651710|2.423103|2.074011|1.927874|2.029483|2.366036|3.308644|2.520385|4.474911|2.967112|1.914357|1.708739|1.548352|1.429788|1.464129|11.869417|5.251642|0.059037|0.055064|0.059108|0.070494|0.070375|0.082111|0.082303|0.106806|0.106401|0.500000| |1.794961|2.018827|2.359356|2.740791|5.935866|4.132871|6.980729|5.637880|8.906305|17.734121|8.918529|5.639175|4.949742|9.790591|6.241170|4.565256|4.232108|5.165809|6.031146|3.454101|2.936082|2.465788|2.339601|2.563465|3.132101|4.591770|3.644351|6.331817|4.080667|2.519084|2.167163|1.923817|1.735749|1.770085|14.710335|8.600541|0.049526|0.045825|0.049593|0.055173|0.055083|0.065369|0.065522|0.074519|0.074302|0.213889|0.500000| |2.187373|2.366886|2.922057|3.086924|7.086106|4.087966|5.925228|5.637689|4.951355|5.641795|8.933693|17.752436|8.907337|9.826119|5.159708|4.208413|4.511549|6.266987|8.464993|4.498537|3.867619|3.074545|2.785844|2.980441|3.715883|5.051716|3.267255|5.367537|3.866668|2.360499|2.184660|1.927922|1.818152|1.935742|16.175645|6.085974|0.062022|0.054097|0.061981|0.062308|0.062350|0.085245|0.085138|0.079065|0.079158|0.107550|0.124262|0.500000| |2.997728|3.402260|4.681513|5.073920|13.971446|6.951554|8.624592|8.915477|5.645375|4.952236|5.659252|8.941707|17.769310|5.691428|3.396574|2.842956|2.926679|3.666550|5.159410|3.056848|2.884925|2.407304|2.161837|2.224143|2.596658|3.475663|2.385271|4.090646|2.883034|1.842332|1.717697|1.551111|1.475298|1.554037|12.599566|4.478268|0.084497|0.071419|0.084414|0.087477|0.087570|0.137886|0.137521|0.121501|0.121771|0.124383|0.107539|0.214812|0.500000| |1.707380|1.794372|2.060757|2.124839|4.357391|2.502957|4.007557|2.918914|2.872310|3.180398|3.703064|3.806536|3.314957|5.274366|3.140557|3.163842|4.042900|4.953479|10.003490|8.921620|17.731775|8.927191|5.616706|4.934303|5.613132|5.691084|2.596444|4.051944|3.445500|2.140604|2.049265|1.905695|1.809045|1.857280|14.527625|3.572802|0.046851|0.043515|0.049915|0.049535|0.046557|0.056594|0.062222|0.058817|0.053987|0.071066|0.082794|0.113373|0.088174|0.500000| |1.433159|1.479760|1.649790|1.676439|3.318500|1.890618|3.106885|2.119866|2.110686|2.303850|2.575473|2.593489|2.329696|3.768960|2.443017|2.586539|3.210325|3.410136|5.743611|5.632338|8.991717|17.720811|8.837948|5.645435|4.924729|4.951576|2.257309|3.528832|3.148681|2.020286|1.999257|1.918979|1.854071|1.878981|14.115274|2.852012|0.039415|0.037069|0.041865|0.040972|0.038683|0.045436|0.049288|0.046557|0.043264|0.053938|0.062054|0.076907|0.063082|0.214408|0.500000| |1.247997|1.287318|1.422876|1.452288|2.859321|1.644959|2.732856|1.847538|1.878484|2.088299|2.324527|2.268119|2.007915|3.560374|2.437587|2.730089|3.391677|3.234081|4.955485|4.937379|5.650420|8.842888|17.717889|9.000101|5.628772|5.747473|2.477319|3.801918|3.646751|2.365544|2.409172|2.367411|2.296697|2.286461|16.724014|2.836586|0.034586|0.032488|0.036029|0.035455|0.034087|0.039571|0.041763|0.040054|0.038105|0.048395|0.057622|0.067187|0.053801|0.123761|0.213950|0.500000| |1.237486|1.287000|1.431100|1.477781|2.940643|1.717119|2.853203|1.967798|2.044953|2.351745|2.656647|2.495909|2.138910|4.341872|3.112673|3.788729|4.922535|4.076455|5.692402|5.621204|4.934372|5.613717|8.932000|17.733778|8.915630|10.000191|3.487816|5.074145|5.490243|3.404611|3.471159|3.337230|3.106299|3.061813|23.165470|3.508718|0.034510|0.032160|0.035347|0.035210|0.034388|0.040148|0.041476|0.040400|0.039168|0.052374|0.066065|0.073959|0.056173|0.107236|0.123736|0.214784|0.500000| |1.249319|1.315469|1.470146|1.545192|3.105389|1.854503|3.098246|2.169551|2.336305|2.806971|3.167579|2.788204|2.325365|5.645711|4.911841|7.640073|7.423658|4.748259|5.313783|4.073882|3.204435|3.035884|3.474618|4.623388|5.371109|11.497624|9.425146|10.831837|25.974367|9.004197|7.045505|5.274455|4.140474|4.131210|39.048693|5.429777|0.035133|0.032439|0.035092|0.035653|0.035696|0.041758|0.041690|0.041684|0.041754|0.059740|0.081726|0.080697|0.059386|0.077710|0.072133|0.086428|0.142045|0.500000| |1.100876|1.158706|1.275083|1.343606|2.649382|1.586675|2.707311|1.805168|1.959362|2.278640|2.419526|2.147266|1.873674|3.973922|3.480366|4.449414|3.901934|3.041320|3.577221|2.673381|2.273064|2.205574|2.466942|2.985799|3.182066|5.476496|6.224100|10.044329|12.391517|17.539618|9.032706|7.180119|4.692739|4.186682|36.344246|4.397912|0.030946|0.028839|0.030709|0.031486|0.031740|0.036152|0.035779|0.036383|0.036779|0.051633|0.067757|0.060491|0.048212|0.057230|0.054691|0.064468|0.091773|0.205671|0.500000| |1.148848|1.209200|1.335146|1.405372|2.780951|1.662299|2.822508|1.898314|2.049267|2.383752|2.558523|2.283251|1.983424|4.200029|3.846738|4.814622|3.882721|3.079934|3.548640|2.568126|2.174581|2.072498|2.264377|2.701916|2.962949|5.102204|7.575673|14.341588|12.680900|17.647979|8.889108|5.886686|4.374881|4.348534|43.602365|5.072795|0.032488|0.030031|0.031913|0.032639|0.033250|0.038177|0.037258|0.037713|0.038672|0.053649|0.070085|0.064609|0.051063|0.055479|0.051587|0.058728|0.080552|0.179907|0.303092|0.500000| |0.995996|1.036606|1.130244|1.174678|2.288476|1.348475|2.300367|1.506606|1.597355|1.805787|1.925439|1.773517|1.574764|3.056085|2.511318|3.041219|2.932821|2.398784|2.973417|2.308454|2.046362|2.066931|2.371278|2.797241|2.756687|4.385864|3.671515|5.994384|6.613320|6.663651|8.933073|17.728860|8.582594|5.735409|37.746971|3.174847|0.028015|0.026204|0.027897|0.028202|0.028324|0.032031|0.031855|0.031882|0.032060|0.042227|0.052469|0.050710|0.041315|0.051363|0.052067|0.064404|0.089649|0.134237|0.209976|0.147835|0.500000| |0.950396|0.978556|1.061734|1.088719|2.106495|1.222703|2.076110|1.351575|1.403008|1.557521|1.677465|1.592637|1.428285|2.604785|2.078815|2.428419|2.411213|2.049646|2.610175|2.045911|1.866350|1.919650|2.199796|2.505448|2.394479|3.617142|2.765071|4.579579|4.606455|4.022707|5.710842|8.576375|17.744095|8.916719|37.709266|2.643006|0.026840|0.025048|0.026688|0.026546|0.026694|0.030213|0.029998|0.029460|0.029665|0.036980|0.044313|0.046233|0.038089|0.047128|0.049129|0.061175|0.079804|0.096033|0.108899|0.099414|0.201361|0.500000| |1.026922|1.052035|1.146999|1.166785|2.267028|1.304032|2.191938|1.446713|1.480675|1.641137|1.803319|1.744290|1.554512|2.800055|2.234749|2.586372|2.552946|2.188870|2.775122|2.148543|1.948273|1.974184|2.222549|2.527068|2.479296|3.751618|2.908618|4.834892|4.673615|3.828399|5.401328|5.688106|8.773059|17.786147|55.317534|2.844072|0.029209|0.026962|0.028836|0.028330|0.028680|0.032938|0.032409|0.031294|0.031773|0.038615|0.045923|0.051557|0.041791|0.049443|0.050393|0.060777|0.078126|0.096237|0.094288|0.099159|0.122545|0.203670|0.500000| |1.729320|1.903297|2.215439|2.469786|5.272985|3.393160|5.557089|4.388082|5.197102|6.941180|7.242685|5.429523|4.454883|9.994798|9.374975|5.746617|4.457760|4.853366|5.215972|3.102155|2.587225|2.230194|2.186017|2.455736|2.987540|4.670575|4.792965|9.153442|4.889727|3.001237|2.546833|2.175201|1.964076|2.056272|17.887776|26.106392|0.048938|0.044124|0.047351|0.050666|0.052610|0.064020|0.060600|0.064391|0.068559|0.124430|0.192218|0.132440|0.102614|0.070924|0.055878|0.054312|0.064997|0.092469|0.076879|0.087523|0.057821|0.049244|0.053240|0.500000| 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