Version2.4 2021-05-29T00:13:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 08-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1[C@H]2c3c([nH]c(=O)s3)S[C@@H]4[C@H]2[C@H]5C[C@@H]4[C@@H]6[C@@H]5C(=O)N(C6=O)CCCC(=O)[O-] C28295033 RHF 6-31G(d) (6D,7F) Cc1ccccc1[C@H]2c3c([nH]c(=O)s3)S[C@@H]4[C@H]2[C@H]5C[C@@H]4[C@@H]6[C@@H]5C(=O)N(C6=O)CCCC(=O)[O-] C01[X(C24H23N2O5S2)] 162 C1 549 [O-]C(=O)CCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@H]1Sc1c([C@@H]2c2ccccc2C)sc(=O)[nH]1 [O-]C(=O)CCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@H]1Sc1c([C@@H]2c2ccccc2C)sc(=O)[nH]1 Cc1ccccc1[C@@H]2[C@@H]3[C@H]4C[C@@H]([C@@H]3SC5=C2SC(=O)N5)[C@@H]6[C@@H]4C(=O)N(CCCC([O-])=O)C6=O InChIKey=TZMMGIJYLMFQJV-CPQKYZKSSA-M InChI=1S/C24H24N2O5S2/c1-10-5-2-3-6-11(10)15-16-12-9-13(19(16)32-21-20(15)33-24(31)25-21)18-17(12)22(29)26(23(18)30)8-4-7-14(27)28/h2-3,5-6,12-13,15-19H,4,7-9H2,1H3,(H,25,31)(H,27,28)/p-1/t12-,13-,15-,16+,17-,18-,19+/m1/s1 InChI=1/C24H24N2O5S2/c1-10-5-2-3-6-11(10)15-16-12-9-13(19(16)32-21-20(15)33-24(31)25-21)18-17(12)22(29)26(23(18)30)8-4-7-14(27)28/h2-3,5-6,12-13,15-19H,4,7-9H2,1H3,(H,25,31)(H,27,28)/p-1/t12-,13-,15-,16+,17-,18-,19+/m1/s1/fC24H23N2O5S2/h25H/q-1 Cc1ccccc1[C@H]2c3c([nH]c(=O)s3)S[C@@H]4[C@H]2[C@H]5C[C@@H]4[C@@H]6[C@@H]5C(=O)N(C6=O)CCCC(=O)[O-] C01[X(C24H23N2O5S2)] 162 C01 549 [O-]C(=O)CCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@H]1Sc1c([C@@H]2c2ccccc2C)sc(=O)[nH]1 O=C1N(CCC[C]([O])[O])C(=O)[C@H]2[C@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1[C@H](c1c(S2)[nH]c(=O)s1)[C]1[CH][CH][CH][CH][C]1C C[C]1[CH][CH][CH][CH][C]1[C@@H]2[C@@H]3[C@H]4C[C@@H]([C@@H]3SC5=C2SC(=O)N5)[C@@H]6[C@@H]4C(=O)N(CCC[C]([O])[O])C6=O InChIKey=GEAYQCSJOBZSAV-CPQKYZKSSA-N InChI=1S/C24H23N2O5S2/c1-10-5-2-3-6-11(10)15-16-12-9-13(19(16)32-21-20(15)33-24(31)25-21)18-17(12)22(29)26(23(18)30)8-4-7-14(27)28/h2-3,5-6,12-13,15-19H,4,7-9H2,1H3,(H,25,31)/t12-,13-,15-,16+,17-,18-,19+/m1/s1 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1.8362 1.7059 1.3083 2.0765 1.5604 2.8425 1.9670 0.8810 3.0099 1.3639 1.4411 1.8457 1.0547 2.0411 1.2453 1.9864 1.0224 1.9094 2.2368 3.2684 1.8813 1.8964 1.4094 2.1718 2.4272 1.4464 1.3188 1.5167 1.0822 2.4216 1.6650 2.3913 3.2646 1.6530 2.5721 2.1689 2.0640 3.9242 1.4359 1.8816 1.9425 1.5976 1.6953 1.5884 1.8322 1.3596 1.7547 1.8123 2.0405 1.7460 1.8147 2.5577 2.2556 2.1047 2.3695 7.3672 2.2129 1.8701 1.7973 3.0113 2.0511 2.8723 1.7393 2.1351 1.7353 1.6589 1.7439 1.9593 3.4510 1.8458 10.1423 10.2945 18.9161 24.6658 25.1614 29.7900 30.8829 6.2972 6.4815 6.6427 6.2860 6.6066 6.5209 6.6536 6.6409 6.8769 6.6579 6.9466 6.8660 6.9806 6.9592 6.9697 6.9792 7.1827 7.1337 7.1997 7.3112 7.3925 7.4776 9.4944 3.6168 6.8005 0.1943 4.1403 1.6662 0.4256 2.4741 1.1404 3.3253 1.1559 1.4823 3.5716 4.5659 0.4942 0.4307 4.0741 0.3147 0.3530 0.0926 0.9437 3.0463 10.1921 1.4341 4.0907 2.9833 2.1419 11.4478 1.5106 5.0354 10.3128 8.5575 0.7223 0.8817 77.5429 3.5679 46.9551 18.5765 2.9864 2.9141 0.3438 6.2700 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0.1607 0.3135 1.7694 1.1862 0.5510 0.8079 2.1259 1.6417 1.2089 2.4580 1.8438 3.5675 2.2313 0.4064 0.7467 2.2374 0.7048 6.6681 1.3462 7.7495 1.3665 5.1520 3.4718 3.9217 4.3399 0.9798 1.2358 0.9182 3.6584 3.3652 1.3936 4.2392 1.8569 2.3716 0.4455 8.2083 11.3793 1.4308 0.2642 5.2487 0.6883 3.8216 1.8863 0.4036 3.2392 1.2523 4.0883 8.5525 6.1894 3.1925 1.6404 2.0873 2.0769 1.4695 2.7551 4.9357 3.7136 10.6682 4.4208 2.5058 8.1805 4.2135 1.9703 1.1370 3.3628 3.0882 8.3710 0.0513 0.7381 4.3623 11.6170 17.6728 1.8084 0.4177 2.0297 2.9326 0.8554 3.2420 13.0790 9.1109 6.5381 2.2157 5.2915 0.6520 2.6752 10.7283 3.1918 4.3757 4.1080 3.3839 2.7736 1.1749 9.5235 7.5611 3.9699 4.0754 14.1008 2.1832 3.8254 1.4271 2.2877 8.2343 3.6239 7.7210 2.3219 4.8400 4.8959 1.1020 2.9388 8.7049 13.3383 2.7674 2.1655 15.2534 3.5978 12.1633 20.0912 3.7482 8.0107 0.2168 9.8176 9.7962 36.8648 46.3813 0.4914 12.2755 0.5047 15.6315 70.9560 43.5243 67.5436 88.7265 11.1461 49.3728 31.3508 173.3896 48.0464 44.5778 30.8264 80.6779 72.0291 148.2415 23.2283 169.6574 18.4907 74.5096 75.6325 158.6365 117.2035 127.7737 81.1981 0.7283 0.7443 0.7497 0.7127 0.7218 0.7472 0.7383 0.7450 0.6901 0.7490 0.7273 0.6823 0.7461 0.6398 0.4948 0.6951 0.2740 0.7426 0.7370 0.4841 0.6189 0.5666 0.2145 0.7463 0.7416 0.5445 0.6097 0.5822 0.0931 0.6732 0.3106 0.2197 0.2075 0.7500 0.4664 0.4786 0.4994 0.6765 0.7034 0.3158 0.3130 0.7243 0.0668 0.6721 0.7174 0.7197 0.1421 0.2894 0.4849 0.3077 0.6756 0.3155 0.3480 0.5258 0.2326 0.0376 0.7189 0.1195 0.0476 0.1632 0.2101 0.4469 0.1536 0.5175 0.2590 0.1609 0.6382 0.1810 0.0263 0.4126 0.6301 0.7378 0.4824 0.4674 0.3497 0.1478 0.2103 0.4238 0.7385 0.6441 0.3624 0.1449 0.1650 0.6556 0.7460 0.4850 0.5213 0.7230 0.4050 0.6503 0.7219 0.6455 0.4128 0.7315 0.7441 0.5986 0.1123 0.6648 0.3354 0.3835 0.2987 0.1345 0.6852 0.7254 0.7396 0.5192 0.6858 0.7491 0.6078 0.7102 0.4673 0.3505 0.7343 0.7193 0.4215 0.5424 0.2069 0.7424 0.4794 0.5610 0.5373 0.4172 0.6926 0.5874 0.7128 0.6148 0.6355 0.7463 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0.8306 0.6369 0.5190 0.8468 0.8367 0.5931 0.7033 0.3429 0.8522 0.6481 0.7188 0.6990 0.5888 0.8184 0.7401 0.8323 0.7615 0.7771 0.8547 0.8444 0.8243 0.8557 0.7450 0.7992 0.7818 0.2126 0.8432 0.7953 0.5544 0.6117 0.2066 0.4553 0.8492 0.0129 0.7276 0.1093 0.6036 0.3058 0.8571 0.1313 0.8339 0.5218 0.8145 0.7284 0.4604 0.3135 0.8566 0.3301 0.7707 0.5691 0.4070 0.2164 0.4315 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 6 6 6 6 6 6 6 6 1 6 6 7 1 6 8 16 16 6 1 6 1 6 1 6 6 1 6 1 6 1 6 8 7 6 8 6 6 6 6 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 31.97207 31.97207 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 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 10023.3816 25937.4795 27614.1401 0.99986 -0.01438 -0.00839 0.01433 0.99988 -0.00640 0.00848 0.00628 0.99994 1 0.00864 0.00334 0.00314 0.18005 0.06958 0.06536 19.51 29.46 35.73 41.24 53.93 64.71 90.39 98.79 122.68 135.08 139.61 151.85 185.37 228.26 248.21 251.86 259.55 275.64 292.70 328.31 341.90 386.70 415.73 424.18 458.45 463.88 493.58 497.99 563.14 593.71 633.76 640.72 675.96 709.53 723.71 735.56 751.26 768.49 786.44 816.40 827.98 857.22 882.98 912.12 917.30 960.05 974.07 992.43 1036.06 1056.40 1067.53 1073.01 1104.47 1108.25 1147.31 1170.83 1185.95 1203.05 1227.07 1228.38 1245.32 1264.70 1307.82 1345.15 1368.04 1380.01 1386.28 1412.73 1414.98 1430.63 1452.32 1460.15 1502.54 1525.87 1560.18 1568.36 1572.36 1606.44 1622.33 1635.49 1660.91 1664.78 1666.74 1678.84 1682.98 1707.29 1725.91 1739.88 1775.55 1780.41 1796.22 1839.72 1857.66 1865.30 1875.85 1892.52 1906.03 1915.31 1921.54 1947.35 1951.76 1962.56 1969.21 1995.01 2023.01 2050.67 2056.31 2057.65 2068.57 2096.57 2115.63 2122.70 2127.26 2136.64 2151.90 2154.91 2172.21 2214.01 2218.55 2223.52 2258.94 2290.83 2302.02 2319.78 2325.59 2328.14 2344.06 2360.08 2361.14 2370.19 2401.45 2421.95 2557.46 2603.23 2640.45 2738.16 2837.53 2865.27 2951.30 4565.61 4586.59 4602.33 4608.45 4626.56 4647.06 4655.24 4664.67 4681.97 4696.77 4699.89 4710.12 4720.65 4733.39 4735.96 4744.81 4770.56 4795.58 4821.49 4849.21 4871.67 4897.34 5557.52 0.473784 0.500761 0.501705 0.412189 -2200.012975 -2199.985998 -2199.985054 -2200.074569 3.002348D-04 MUNgauss RevisionA2.1 retrievium 29-May-2021 DUDE Cc1ccccc1[C@H]2c3c([nH]c(=O)s3)S[C@@H]4[C@H]2[C@H]5C[C@@H]4[C@@H]6[C@@H]5C(=O)N(C6=O)CCCC(=O)[O-] C28295033 RHF 6-31G(d) (6D,10F) C1 483.104841 |X|Y|Z| 57.042040 49.211751 108.747705 67.333004 23 6 7 16 19 2 2 |36.858105| |12.566870|36.858105| |7.624564|13.698647|36.858105| |5.025893|7.862497|13.769043|36.858105| |4.419918|6.814874|7.973545|13.784900|36.858105| |4.986721|7.918398|6.942179|7.975560|13.767416|36.858105| |7.438276|13.592395|7.926752|6.819959|7.861224|13.685038|36.858105| |6.331884|7.467666|4.991306|4.408121|4.990499|7.525007|12.461551|36.858105| |7.744136|7.368770|4.801706|3.997073|4.202827|5.636621|9.005504|17.579517|0.500000| |4.529987|5.147012|3.932749|3.708282|4.332559|6.199971|7.452003|12.596916|0.255756|36.858105| |3.628258|3.862969|3.107160|2.961045|3.385062|4.455885|5.010668|7.584108|0.184694|14.385055|36.858105| |3.028737|3.208706|2.703398|2.627413|2.983212|3.719738|3.947971|5.112066|0.131459|8.328701|13.719578|53.358707| |2.644240|2.762773|2.374605|2.320682|2.610279|3.161766|3.305378|4.144668|0.108589|5.922041|9.013356|25.999872|0.500000| |3.027928|3.283356|2.825462|2.785524|3.175599|3.886104|3.996397|4.726436|0.121477|7.489708|8.161788|18.998153|0.258276|36.858105| |2.608895|2.800518|2.491256|2.484361|2.791169|3.257404|3.272789|3.668655|0.096437|5.120106|5.491729|11.370415|0.206249|16.020310|73.516695| |3.930149|4.565498|3.806490|3.739015|4.371508|5.692493|5.924220|6.540894|0.159088|10.734946|7.464411|10.166514|0.151031|10.707218|12.742482|388.023441| |3.261234|3.300371|2.695266|2.542250|2.825055|3.553517|4.018211|5.855036|0.154973|6.884116|10.862442|9.632786|0.184939|4.833004|6.817113|31.640182|388.023441| |3.776380|3.855322|3.080416|2.869167|3.179550|4.063245|4.747481|7.069052|0.178415|6.176056|6.790168|6.312748|0.117448|3.719505|5.405205|27.922162|73.765006|36.858105| |3.788022|3.641233|2.921673|2.662569|2.852843|3.513476|4.190701|5.887506|0.167339|5.010051|5.416383|5.417463|0.102847|3.267546|4.862256|24.356682|58.206609|17.630002|0.500000| |4.994312|5.491804|4.102827|3.749812|4.221816|5.814479|7.473897|12.225910|0.251566|7.376151|6.296415|5.897215|0.104432|3.774745|5.434772|31.972242|45.871997|12.029021|0.242835|36.858105| |5.727223|5.803385|4.282557|3.737355|3.967295|5.095960|6.821839|9.109724|0.239868|5.598004|4.870586|4.900352|0.088598|3.221199|4.768986|27.159765|36.802153|8.890174|0.237777|17.569533|0.500000| |3.931901|4.601930|3.815451|3.757194|4.434950|5.874485|6.096052|6.995712|0.149935|5.397449|4.818591|4.981772|0.091255|3.284141|4.886489|27.199742|34.958798|7.845448|0.166437|12.250427|0.250034|36.858105| |4.097575|5.074218|4.375301|4.427946|5.290085|6.755046|6.547838|6.234931|0.136799|4.717563|4.039456|4.371955|0.080052|3.006229|4.550428|25.722031|27.865587|5.568728|0.130090|8.549443|0.212554|17.661876|0.500000| |3.327924|3.581471|3.061442|2.963135|3.301986|3.995046|4.247287|4.948422|0.120265|4.097254|4.010279|4.302456|0.082009|2.776382|4.234573|21.601909|33.296546|8.025681|0.189503|8.169883|0.211565|12.298350|0.235601|36.858105| |3.061575|3.217323|2.719051|2.625746|2.943146|3.616108|3.876213|4.934395|0.121535|4.518327|4.897044|5.131353|0.099870|3.126108|4.714634|22.971581|47.595283|12.265452|0.246907|7.679325|0.176557|8.303339|0.159312|12.240567|36.858105| |2.713788|2.775738|2.386763|2.297717|2.525341|3.004481|3.216081|3.973916|0.102771|3.736145|4.150174|4.577910|0.091865|2.792816|4.302425|19.933220|42.032477|8.608284|0.221048|5.573428|0.140512|5.729652|0.122870|8.441911|17.616203|0.500000| |2.761629|3.032261|2.637155|2.649268|3.083984|3.789348|3.756574|4.519764|0.106208|4.490779|4.856584|5.337832|0.104773|3.298183|5.004394|23.897335|40.662777|7.313676|0.151325|6.106158|0.134853|7.920970|0.159151|8.350301|12.426852|0.238241|36.858105| |2.521778|2.765447|2.468879|2.507590|2.891134|3.413417|3.319182|3.767519|0.090614|3.640627|3.810550|4.375823|0.086785|2.800236|4.357306|20.454051|31.016687|5.527039|0.125833|4.961785|0.117887|6.828916|0.150780|8.163424|9.167683|0.210974|17.514161|0.500000| |3.218040|3.754370|3.230059|3.315307|4.072973|5.354668|5.013607|5.851711|0.125621|5.634332|5.416616|5.745882|0.106494|3.713265|5.499276|29.164006|37.754002|6.874725|0.139724|7.698981|0.156011|12.305933|0.234730|7.834736|8.036178|0.156742|12.536655|0.249757|36.858105| |3.398709|3.980502|3.339464|3.394765|4.210373|5.835419|5.564260|7.047213|0.144158|7.808532|7.484575|7.462739|0.132328|4.702578|6.654039|37.130284|45.261073|7.157671|0.141808|7.975481|0.153345|8.944719|0.186702|5.993206|6.826371|0.139911|9.023133|0.177263|17.644411|0.500000| |2.695483|3.170290|2.885786|3.102719|3.895627|4.732114|4.050500|4.276879|0.096377|4.399196|4.263017|5.036670|0.095931|3.422188|5.277153|26.191680|28.395853|4.496651|0.100456|4.852873|0.109663|6.711833|0.167811|5.214929|5.226892|0.117327|8.180668|0.211370|12.611196|0.263767|36.858105| |2.603788|3.129591|2.961252|3.317352|4.283158|4.888734|3.916187|3.826428|0.087414|3.857337|3.590862|4.376802|0.083044|3.116676|4.915132|24.596803|23.265720|3.652264|0.084987|4.119615|0.097324|5.539446|0.156453|4.321696|4.064506|0.094775|5.507713|0.152770|7.761642|0.183073|16.014705|73.516695| |2.367888|2.682769|2.438292|2.569875|3.100540|3.674034|3.317688|3.655886|0.085694|3.981691|4.195944|5.207454|0.103865|3.428070|5.385224|24.159156|29.185143|4.227234|0.095655|4.094675|0.094121|5.033262|0.121808|4.462582|5.034695|0.119603|8.383954|0.212574|8.372622|0.210637|13.687616|14.700917|53.358707| |2.399633|2.635131|2.340677|2.390750|2.798985|3.360310|3.227509|3.780024|0.090392|4.125380|4.682218|5.642022|0.115762|3.474896|5.386102|23.603794|36.677356|5.174990|0.114595|4.449707|0.101385|5.170864|0.117151|5.023898|6.639170|0.160078|12.595513|0.264094|8.164236|0.210876|8.133605|9.738212|18.502393|36.858105| |2.172495|2.334228|2.083664|2.110846|2.422362|2.850658|2.787193|3.269824|0.080949|3.649139|4.322436|5.532095|0.120068|3.350548|5.321109|21.586977|35.243574|4.486159|0.104364|3.715868|0.087425|4.018789|0.093859|4.058671|5.420312|0.144628|7.722848|0.181906|5.511809|0.153304|5.494677|7.434386|11.255458|16.061682|73.516695| |2.033946|2.285607|2.130945|2.271702|2.702624|3.052870|2.734547|2.913868|0.070369|3.197090|3.357332|4.442977|0.090926|3.039159|4.993098|20.869518|23.021581|3.205743|0.076006|3.123788|0.074764|3.662502|0.093634|3.357875|3.671643|0.092519|5.197595|0.143333|5.138406|0.137006|7.565764|11.634170|17.622919|7.566339|11.616113|36.858105| |1.833877|2.035682|1.923052|2.045607|2.379058|2.610772|2.369506|2.489545|0.061300|2.625425|2.732494|3.579142|0.073592|2.455269|4.080884|17.095996|19.526375|2.813630|0.068574|2.727634|0.067279|3.240097|0.084475|3.141371|3.327657|0.086833|4.495513|0.136864|4.194821|0.106317|5.687040|9.436717|10.420057|5.808424|9.437179|12.476513|36.858105| |1.620160|1.785570|1.709174|1.823064|2.090941|2.241431|2.039333|2.114267|0.052893|2.241612|2.325772|3.130572|0.064936|2.192732|3.736319|15.104522|16.414790|2.313996|0.057588|2.256047|0.056595|2.588995|0.068793|2.510713|2.637529|0.070057|3.322637|0.098330|3.179778|0.083545|4.045439|7.129251|6.736863|4.094366|7.133772|7.491225|12.494659|36.858105| |1.477593|1.612277|1.554553|1.650385|1.859623|1.964987|1.808948|1.863779|0.047213|1.936680|1.999154|2.670491|0.055345|1.870917|3.196124|13.005569|14.369167|2.058694|0.052166|2.004749|0.051232|2.293929|0.061586|2.286168|2.358806|0.063868|2.856195|0.086621|2.695565|0.069983|3.261490|5.804973|5.105910|3.314581|5.824467|4.821251|7.355209|12.211728|36.858105| |1.503405|1.634598|1.572670|1.661314|1.862789|1.972104|1.828660|1.888790|0.047910|1.932111|1.991802|2.617956|0.054051|1.816997|3.074113|12.750007|14.581409|2.134528|0.054308|2.069419|0.053208|2.399248|0.064360|2.449235|2.499642|0.068294|3.012471|0.094430|2.781726|0.070687|3.308664|5.819822|5.090844|3.391697|5.883158|4.474419|6.955575|8.023548|15.441130|73.516695| |1.362493|1.480717|1.436586|1.525589|1.705281|1.783911|1.646047|1.686203|0.043037|1.757394|1.809995|2.446015|0.050815|1.731627|2.992961|11.990752|12.907799|1.829841|0.046758|1.788842|0.046018|2.012016|0.054374|1.995121|2.055000|0.055826|2.428249|0.072258|2.324037|0.061307|2.754314|4.958668|4.221959|2.782095|4.952851|3.895136|5.174753|8.105342|15.467139|15.161753|73.516695| |17.545117|8.786886|5.934485|4.302892|3.944208|4.528661|6.544511|6.275913|0.234080|4.849655|3.895933|4.481203|0.079109|3.322244|5.067607|30.707583|24.262386|3.721493|0.104095|4.656076|0.140703|3.578565|0.099920|3.065252|2.948045|0.073247|2.668947|0.066906|3.063973|0.092322|2.581113|4.391519|3.149748|2.365501|3.857954|1.999183|1.788241|1.588100|1.442668|2.595398|2.372694|0.500000| |17.546112|8.764015|5.875471|4.273558|3.931587|4.532191|6.583362|6.420959|0.225742|4.412379|3.669571|4.072528|0.073378|2.888190|4.409856|25.508696|24.847190|4.281851|0.123910|5.691298|0.201713|4.298608|0.121981|3.767264|3.410303|0.084115|2.953623|0.074969|3.370661|0.096985|2.748782|4.642597|3.298228|2.502144|4.020708|2.058910|1.870713|1.640531|1.502814|2.738566|2.452774|0.302119|0.500000| |17.585564|8.873587|7.432831|4.827459|3.998017|4.184784|5.537770|4.675718|0.149638|3.624938|3.013507|3.540097|0.064160|2.627683|4.124920|23.557615|19.610084|3.143217|0.088517|3.956594|0.125192|3.319862|0.097694|2.899263|2.650047|0.066445|2.415422|0.062363|2.767354|0.079898|2.385495|4.157489|2.872851|2.124976|3.448188|1.843756|1.682528|1.501677|1.381110|2.499031|2.276081|0.302670|0.302931|0.500000| |7.149673|8.937156|17.703712|8.952294|5.668022|4.986739|5.641776|4.070953|0.113938|3.311723|2.713254|3.267554|0.059352|2.501943|3.988559|23.034859|17.145314|2.727632|0.073509|3.481108|0.103350|3.232965|0.101080|2.717463|2.427002|0.060269|2.329400|0.061176|2.761331|0.078663|2.492063|4.534826|2.925373|2.081619|3.337031|1.903970|1.740038|1.562034|1.434637|2.583748|2.370000|0.155791|0.153728|0.233216|0.500000| |4.111202|5.616239|8.921914|17.712246|8.906966|5.655613|4.924073|3.529698|0.090919|3.081445|2.546689|3.143091|0.057477|2.454349|3.974169|22.525479|15.822637|2.479482|0.064603|3.114570|0.086848|3.173345|0.102668|2.599963|2.313590|0.057099|2.345907|0.062584|2.859036|0.080395|2.750924|5.299894|3.151522|2.146190|3.402149|2.090676|1.909174|1.724669|1.575382|2.815366|2.606598|0.100038|0.099312|0.115227|0.216201|0.500000| |3.537870|4.922735|5.652032|8.892476|17.728120|8.940133|5.620472|4.086132|0.096697|3.769678|3.070657|3.786926|0.068658|2.978923|4.755674|27.845251|18.419364|2.862694|0.071236|3.626735|0.093801|3.974389|0.129930|3.043272|2.736454|0.065848|2.954172|0.078204|3.858686|0.109094|3.954809|8.178290|4.273885|2.751349|4.237339|2.809237|2.480551|2.199547|1.950027|3.449408|3.186686|0.089908|0.089677|0.090943|0.124288|0.213443|0.500000| |4.055515|5.630875|4.990034|5.683294|9.002314|17.742863|8.895096|6.992051|0.141554|6.662774|4.921725|5.613733|0.097229|4.271420|6.293912|42.882905|27.236830|4.272989|0.099022|5.821894|0.132641|6.338884|0.189914|4.190325|3.918344|0.089105|4.378182|0.107568|6.673338|0.211417|6.149148|11.298734|6.171942|3.973678|5.838466|3.665941|3.021461|2.547175|2.184854|3.873697|3.495975|0.106210|0.106495|0.095890|0.108134|0.124696|0.218209|0.500000| |2.874077|3.114115|2.770823|2.747969|3.061184|3.553492|3.603726|3.958738|0.097389|3.428711|3.376952|3.785953|0.073300|2.484190|3.862293|19.084258|27.328443|5.646863|0.139632|5.687581|0.150783|8.548152|0.199792|17.603693|8.597324|0.198517|7.628952|0.258703|6.769885|0.140524|5.199506|7.858013|6.099512|4.882489|7.024045|3.448055|3.372514|2.664792|2.465642|4.795628|3.783526|0.073580|0.088535|0.071332|0.069073|0.068314|0.080514|0.104494|0.500000| |3.550130|3.662934|3.111387|2.921571|3.134106|3.706019|4.119579|4.736986|0.121927|3.770154|3.645682|3.945902|0.075171|2.572096|3.949170|20.162714|30.408074|7.239033|0.200350|7.589549|0.240724|8.655347|0.198654|17.559348|8.556561|0.198522|5.772434|0.157227|5.603142|0.131691|4.069548|6.311870|4.854394|3.960830|6.005124|2.820048|2.669780|2.200352|2.035315|3.869450|3.200698|0.089417|0.116174|0.086399|0.078032|0.071475|0.079107|0.103195|0.302059|0.500000| |1.948381|2.158356|2.000499|2.107385|2.472585|2.800104|2.563554|2.782171|0.068151|3.139330|3.410628|4.689439|0.099001|3.171784|5.293425|20.764046|23.471181|3.099049|0.074076|2.934109|0.070409|3.282085|0.082999|3.055467|3.462938|0.089141|4.699855|0.124633|4.465889|0.125561|5.756767|8.812230|12.577485|7.187678|12.956954|17.615129|8.784259|6.777603|4.464744|7.193694|6.664462|0.053841|0.054721|0.049074|0.049955|0.053941|0.070642|0.092052|0.085490|0.072497|0.500000| |2.047116|2.335590|2.207956|2.398766|2.898965|3.222285|2.798080|2.893025|0.069516|3.186719|3.240107|4.342414|0.087287|3.088161|5.124756|21.659475|21.242160|2.964421|0.070695|3.002641|0.072187|3.503154|0.092404|3.097134|3.270300|0.081607|4.408556|0.120269|4.776398|0.130698|7.269757|13.001748|12.576042|5.709906|8.798981|17.618011|8.785770|6.769971|4.454656|7.152010|6.669620|0.055833|0.056840|0.051721|0.054569|0.061587|0.085680|0.109004|0.087624|0.073333|0.301937|0.500000| |1.881422|2.106509|2.007685|2.155166|2.515220|2.727089|2.444904|2.519692|0.061761|2.588840|2.630538|3.379898|0.068358|2.339435|3.862737|16.776553|18.738831|2.803490|0.068490|2.790380|0.069376|3.428702|0.091464|3.315619|3.348617|0.086373|4.484145|0.142937|4.343252|0.105926|6.074967|10.783371|9.534880|5.228918|8.033465|8.879225|17.564980|8.883945|6.763112|12.595288|8.575750|0.050422|0.053380|0.048089|0.050379|0.056040|0.073468|0.087342|0.101601|0.077947|0.173358|0.211417|0.500000| |1.804346|1.974495|1.848914|1.937784|2.223122|2.458144|2.284625|2.445586|0.060796|2.562706|2.717697|3.533192|0.073485|2.373894|3.931177|16.347843|20.197511|2.915313|0.071521|2.735336|0.067804|3.222211|0.082384|3.265621|3.554713|0.095388|4.789083|0.150429|4.107148|0.103127|5.111544|8.029757|9.530170|6.278306|10.782676|8.868603|17.564569|8.900350|6.803276|12.845073|8.567547|0.048946|0.051623|0.045952|0.046704|0.050133|0.063374|0.077912|0.098375|0.076966|0.211022|0.173273|0.304515|0.500000| |1.568508|1.714727|1.632790|1.728072|1.970547|2.124684|1.954991|2.049977|0.051637|2.207638|2.327616|3.193315|0.067272|2.228927|3.839373|14.985236|16.458437|2.257067|0.056369|2.167319|0.054309|2.427447|0.063852|2.360850|2.537934|0.068066|3.154011|0.090893|2.976264|0.080117|3.653354|6.269081|6.249247|3.991499|7.341266|6.848167|8.812333|17.482863|8.835790|11.053627|12.921459|0.043048|0.044073|0.040356|0.041563|0.045353|0.057139|0.066851|0.068519|0.057873|0.202621|0.168389|0.173430|0.211044|0.500000| 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