Version2.4 2021-05-28T18:15:15Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 11-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N([C@H]3c4cccs4)CCOC)[O-] C13553151 RHF 6-31G(d) (6D,7F) Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N([C@H]3c4cccs4)CCOC)[O-] C01[X(C26H24N1O5S1)] 165 C1 547 COCCN1[C@@H](c2cccs2)C(=C(C1=O)[O-])C(=O)c1ccc(cc1)OCc1cccc(c1)C COCCN1[C@@H](c2cccs2)C(=C(C1=O)[O-])C(=O)c1ccc(cc1)OCc1cccc(c1)C COCCN1[C@@H](c2sccc2)C(=C([O-])C1=O)C(=O)c3ccc(OCc4cccc(C)c4)cc3 InChIKey=IBRZOBGPYLHLHF-QHCPKHFHSA-M InChI=1S/C26H25NO5S/c1-17-5-3-6-18(15-17)16-32-20-10-8-19(9-11-20)24(28)22-23(21-7-4-14-33-21)27(12-13-31-2)26(30)25(22)29/h3-11,14-15,23,29H,12-13,16H2,1-2H3/p-1/t23-/m0/s1 InChI=1/C26H25NO5S/c1-17-5-3-6-18(15-17)16-32-20-10-8-19(9-11-20)24(28)22-23(21-7-4-14-33-21)27(12-13-31-2)26(30)25(22)29/h3-11,14-15,23,29H,12-13,16H2,1-2H3/p-1/t23-/m0/s1/fC26H24NO5S/h29h/q-1 Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N([C@H]3c4cccs4)CCOC)[O-] C01[X(C26H24N1O5S1)] 165 C01 547 COCCN1[C@@H](c2cccs2)C(=C(C1=O)[O-])C(=O)c1ccc(cc1)OCc1cccc(c1)C COCCN1[C@@H](C2=[CH][CH]=CS2)[C]([C](=O)C1=O)[C](=O)[C]1[CH][CH][C]([CH][CH]1)OC[C]1[CH][CH][CH][C]([CH]1)C COCCN1[C@H]([C](C(=O)[C]2[CH][CH][C]([CH][CH]2)OC[C]3[CH][CH][CH][C](C)[CH]3)C(=O)C1=O)c4sccc4 InChIKey=MEZCDTMQYXOGFY-QHCPKHFHSA-N InChI=1S/C26H24NO5S/c1-17-5-3-6-18(15-17)16-32-20-10-8-19(9-11-20)24(28)22-23(21-7-4-14-33-21)27(12-13-31-2)26(30)25(22)29/h3-11,14-15,23H,12-13,16H2,1-2H3/t23-/m0/s1 InChI=1/C26H24NO5S/c1-17-5-3-6-18(15-17)16-32-20-10-8-19(9-11-20)24(28)22-23(21-7-4-14-33-21)27(12-13-31-2)26(30)25(22)29/h3-11,14-15,23H,12-13,16H2,1-2H3/t23-/m0/s1 3379.7254081299 -1824.8201672 1-A 22720.3926 122 425 547 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1570.9334 1581.6125 1593.8925 1602.8719 1624.2453 1632.2038 1633.7696 1643.6441 1643.8732 1645.2277 1656.6652 1666.2743 1668.3805 1680.4933 1690.6169 1760.2376 1772.4411 1793.6296 1810.4530 1815.4616 1819.2692 1944.5132 1958.7199 3138.6982 3156.7032 3164.9200 3187.3631 3201.6399 3212.4690 3217.7222 3223.8984 3254.6855 3262.3846 3273.0239 3285.5225 3292.6705 3339.2892 3350.6824 3369.7905 3370.9249 3371.5550 3372.5993 3387.1009 3393.3106 3396.2017 3400.0973 3425.0693 4.0270 5.4794 6.1012 4.5904 1.8508 1.6705 4.3115 5.1913 4.4067 4.5431 6.4412 6.2421 4.2573 2.8936 5.3587 5.5748 7.0040 5.6302 3.7788 6.2022 3.3768 2.7555 3.0929 2.6045 2.9049 8.1352 4.9279 3.1881 4.8438 3.3823 5.3227 5.5658 6.5757 3.8436 5.0413 3.1673 2.8894 5.5529 4.4603 4.4631 4.3821 4.9311 6.0174 3.4762 3.7595 4.4345 4.3820 3.5955 10.6399 7.0422 5.6302 6.0982 2.4616 4.5775 1.1972 5.0548 4.5834 6.4286 4.9890 4.8872 1.3334 4.4279 4.4404 2.9797 1.7278 3.1011 3.8004 1.6927 1.8950 1.4838 2.0191 2.5770 1.4226 1.3415 1.4121 3.6506 1.3822 1.3271 2.3001 3.0726 2.5741 1.8643 2.6742 1.8220 3.1655 1.5423 2.7438 1.8638 1.2361 2.5505 2.6735 2.0752 3.8360 1.7976 2.4135 2.2029 1.3350 1.4103 2.5632 1.5666 2.7383 3.0830 1.9233 2.2545 2.3260 2.6051 1.0857 1.6885 2.3473 1.3165 1.2824 1.4559 1.4877 2.3022 1.6580 1.7117 1.6896 1.5010 2.0243 1.7388 2.8600 1.9501 1.1838 1.0465 1.1906 5.0313 1.2555 1.0657 1.0623 2.1436 1.1663 1.1031 2.2768 5.3899 6.6879 5.2129 11.9133 5.6474 5.5396 12.7615 11.7726 1.0674 1.0519 1.0833 1.0576 1.0370 1.0932 1.0672 1.1062 1.1022 1.0920 1.1028 1.0985 1.0979 1.0871 1.0919 1.0892 1.0890 1.0972 1.0902 1.0952 1.0938 1.0916 1.0947 1.0990 0.0001 0.0004 0.0014 0.0019 0.0013 0.0013 0.0041 0.0088 0.0079 0.0092 0.0162 0.0207 0.0206 0.0159 0.0374 0.0409 0.0810 0.0840 0.0825 0.1456 0.0954 0.0837 0.0977 0.0932 0.1083 0.3581 0.2542 0.1931 0.3153 0.2336 0.4029 0.4323 0.5850 0.3707 0.5672 0.4073 0.3990 0.8710 0.7282 0.8116 0.8183 0.9359 1.1879 0.6956 0.7745 1.0307 1.0423 0.8875 2.9126 2.0035 1.6809 1.9197 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1.8458 22.5539 24.3282 4.0867 6.3989 14.4029 3.9925 2.3919 0.4199 0.3363 1.1806 0.7161 0.7646 5.1489 3.7094 1.6584 1.1528 3.3038 2.8938 2.3069 1.0335 0.0710 1.6406 1.4195 0.1964 1.8109 1.8822 2.5652 1.5010 0.8969 5.5431 1.1970 1.2832 2.9262 2.2971 0.9208 2.4858 2.4179 2.9614 0.3543 1.2176 0.8120 0.5729 2.3160 2.0398 1.6112 1.3729 5.8230 0.6608 1.3369 1.5978 1.5947 3.1047 1.9187 10.9150 3.4150 7.1904 4.1268 0.7347 6.5845 2.7402 2.0820 5.7922 3.9733 3.0677 6.5892 1.0286 3.8951 11.6676 8.4628 6.8442 12.1038 10.2778 2.2918 0.9317 1.7448 1.8496 3.6586 2.1203 2.4282 2.3311 19.5778 0.2827 0.1842 10.7772 7.8273 2.7856 1.1017 3.1766 1.2081 2.1820 0.4847 2.5024 2.6428 10.1556 2.2627 0.9050 3.8026 2.0300 5.7675 3.6388 4.9590 7.0941 6.3843 13.2050 0.8352 1.5590 10.9500 7.7196 25.1259 19.9699 35.3745 13.5436 3.9476 14.0990 1.7243 0.1273 9.8897 7.0477 11.2825 5.9373 18.1898 13.0355 13.0028 2.4601 9.6834 8.8206 6.7563 12.0687 22.1820 11.3478 61.9532 11.0738 19.0974 10.7478 1.3042 5.7541 11.3174 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12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 15.99491 12.00000 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 7687.2977 36023.3718 38595.7558 0.99997 -0.00689 0.00404 0.00682 0.99985 0.01616 -0.00415 -0.01613 0.99986 1 0.01127 0.00240 0.00224 0.23477 0.05010 0.04676 9.18 16.62 28.54 38.38 50.07 52.68 57.80 77.12 79.20 84.34 93.89 108.01 130.28 139.01 156.61 160.54 201.56 228.89 276.98 287.21 314.98 326.76 333.13 354.54 361.86 393.27 425.71 461.29 478.23 492.60 515.68 522.41 559.08 582.10 628.73 672.20 696.56 742.35 757.39 799.34 809.99 816.62 832.84 838.47 850.80 903.69 914.16 931.26 980.70 999.80 1024.17 1051.68 1106.77 1133.33 1139.62 1147.69 1161.58 1177.07 1220.27 1234.97 1252.78 1281.11 1314.98 1318.65 1325.18 1330.97 1343.47 1370.54 1376.91 1449.25 1457.83 1465.16 1476.55 1479.70 1550.87 1555.13 1580.62 1582.31 1589.87 1590.14 1610.70 1617.28 1628.30 1662.17 1672.83 1688.53 1712.00 1720.38 1731.49 1748.62 1761.15 1790.99 1803.48 1834.89 1847.64 1853.94 1865.32 1869.70 1880.33 1906.64 1909.29 1944.77 1954.84 1975.68 1981.02 1984.86 2015.78 2025.95 2027.28 2085.78 2100.19 2115.32 2135.48 2186.52 2206.18 2227.82 2236.96 2253.38 2260.22 2275.59 2293.26 2306.18 2336.93 2348.38 2350.63 2364.84 2365.17 2367.12 2383.57 2397.40 2400.43 2417.86 2432.42 2532.59 2550.15 2580.63 2604.84 2612.04 2617.52 2797.72 2818.16 4515.89 4541.79 4553.61 4585.90 4606.45 4622.03 4629.58 4638.47 4682.77 4693.84 4709.15 4727.13 4737.42 4804.49 4820.88 4848.38 4850.01 4850.92 4852.42 4873.28 4882.22 4886.38 4891.98 4927.91 0.481961 0.511272 0.512216 0.413967 -1824.338206 -1824.308896 -1824.307952 -1824.406201 3.295288D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N([C@H]3c4cccs4)CCOC)[O-] C13553151 RHF 6-31G(d) (6D,10F) C1 462.137520 |X|Y|Z| 134.913346 54.148461 39.830236 66.265066 25 6 7 8 16 22 1 1 1 |36.858105| |12.602044|36.858105| |7.542219|13.748746|36.858105| |5.012032|7.916275|13.724446|36.858105| |4.435276|6.843684|7.936441|13.801436|36.858105| |5.015302|7.869552|6.851484|7.924462|13.683055|36.858105| |7.573252|13.670349|7.962775|6.904214|7.962551|13.766501|36.858105| |3.774683|4.989572|4.438002|5.040780|7.608736|12.593194|7.519833|36.858105| |3.772329|4.604080|3.836752|3.993013|5.217239|8.006560|6.923226|13.677780|73.516695| |3.017036|3.475359|3.015301|3.146946|3.929446|5.196046|4.654021|8.004489|24.870406|36.858105| |2.858329|3.117006|2.670570|2.691567|3.184504|4.056274|3.978903|5.259711|14.519206|13.681931|36.858105| |2.377130|2.546253|2.243986|2.274709|2.638628|3.184848|3.097926|3.989342|9.396216|7.943471|13.842426|36.858105| |2.128572|2.311225|2.090198|2.163505|2.526125|2.959299|2.776615|3.774938|8.145177|6.805843|7.883674|13.648512|36.858105| |2.197029|2.452699|2.248176|2.384205|2.859305|3.335720|2.988230|4.508816|9.214251|7.951301|6.915728|8.015781|13.799713|36.858105| |2.561572|2.954838|2.683727|2.888028|3.613656|4.402468|3.762160|6.723030|13.945954|13.788501|7.942502|6.888139|7.857854|13.666230|36.858105| |1.829317|1.953649|1.791225|1.846809|2.107938|2.394640|2.274942|2.908776|5.966634|4.411021|5.020176|7.573172|12.516484|7.466549|4.966216|36.858105| |1.756667|1.857437|1.704020|1.745578|1.970791|2.225349|2.139124|2.641923|5.433967|3.871529|4.545362|6.634733|8.216045|5.516919|4.119595|15.701035|73.516695| |1.686210|1.798996|1.667244|1.725537|1.956699|2.185858|2.069193|2.620665|5.169548|3.659406|3.912235|5.177132|7.497582|6.066814|4.238738|13.313971|14.373062|36.858105| |1.499507|1.588755|1.487149|1.538018|1.721770|1.889655|1.796355|2.210782|4.271459|2.896624|3.063967|3.833086|4.930855|4.305473|3.280134|7.559377|11.424175|13.468026|36.858105| |1.428421|1.513815|1.426844|1.479119|1.648170|1.790531|1.698969|2.075468|3.922699|2.598179|2.670900|3.177431|3.937836|3.706104|2.954538|5.084925|7.665518|8.101840|12.380371|36.858105| |1.312571|1.386464|1.315923|1.364193|1.507766|1.619931|1.539977|1.851051|3.456885|2.240762|2.287316|2.651977|3.168347|3.040807|2.517576|3.909221|6.236072|5.416589|7.723327|15.840108|73.516695| |1.533394|1.632071|1.532800|1.590647|1.782846|1.949506|1.844661|2.280634|4.301742|2.867834|2.907991|3.422540|4.280953|4.143288|3.301372|5.116349|7.251947|8.165055|8.145093|14.064200|14.961218|53.358707| |1.726549|1.849907|1.717354|1.782222|2.025536|2.260113|2.130433|2.715944|5.248425|3.658152|3.740110|4.587754|6.216419|5.844230|4.312766|7.271766|9.068828|12.524290|7.909904|8.097842|9.677068|17.749211|36.858105| |1.799135|1.956051|1.825975|1.917998|2.207914|2.458160|2.271355|3.016179|5.703897|4.001144|3.857733|4.515654|6.257215|6.900896|5.033122|6.302314|8.037847|8.662543|6.041585|6.276894|8.291301|12.514574|17.498642|0.500000| |1.842786|1.952275|1.787259|1.828416|2.064834|2.338587|2.252319|2.775584|5.471292|3.764439|3.979580|4.781831|5.703273|5.113459|4.139533|5.881387|7.898060|7.404913|5.360472|5.450148|7.403759|10.547964|12.555044|0.253631|36.858105| |2.003068|2.130886|1.940975|1.982164|2.244810|2.562131|2.472881|3.037600|5.920495|3.967768|4.033308|4.442473|4.933916|4.811491|4.276924|4.513805|6.380309|5.067222|3.939416|4.079406|5.950534|7.484629|7.419722|0.201571|14.139849|36.858105| |2.044724|2.126137|1.916005|1.918705|2.133020|2.441342|2.433517|2.789236|5.492684|3.519492|3.714878|3.960788|4.007110|3.765328|3.532266|3.711513|5.577187|3.953317|3.260638|3.334371|5.064184|5.664132|5.013744|0.131274|8.178004|13.262943|36.858105| |1.899963|1.946183|1.753869|1.744152|1.919423|2.184876|2.201908|2.465177|4.918664|3.160475|3.494879|3.891822|3.860398|3.424401|3.127756|3.800986|5.870881|4.041670|3.416603|3.430105|5.217221|5.599420|4.795328|0.116977|7.671424|8.252886|14.176186|36.858105| |1.750740|1.811289|1.647985|1.657689|1.837024|2.076541|2.055620|2.384374|4.770491|3.178228|3.566892|4.326617|4.600057|3.845121|3.264649|5.081251|7.630746|5.810402|4.811999|4.677911|6.727137|7.595023|6.687926|0.142762|10.973922|7.483944|7.461404|11.031805|388.023441| |1.473823|1.570088|1.487234|1.547900|1.724862|1.862375|1.758485|2.150041|3.960068|2.563504|2.536200|2.850984|3.411402|3.467632|2.933136|3.758353|5.572479|5.115162|5.127279|7.840851|12.160125|17.963253|7.437679|0.193122|5.977769|5.062025|3.947213|3.744347|31.964741|36.858105| |1.377585|1.449572|1.372752|1.415292|1.555946|1.673945|1.603967|1.891960|3.493504|2.216414|2.229569|2.480898|2.836025|2.802230|2.447294|3.121013|4.824175|4.010527|4.176199|5.988369|10.588435|10.427557|5.192941|0.129769|4.937300|4.352950|3.754794|3.720097|30.785637|12.529689|36.858105| |1.447997|1.513396|1.422253|1.454267|1.593930|1.728916|1.674885|1.943655|3.619785|2.285868|2.324073|2.568466|2.858480|2.782691|2.471017|3.065968|4.737696|3.799015|3.732817|4.786273|7.940516|8.472343|4.987551|0.123297|5.538307|5.127696|4.679366|4.679464|36.419385|7.984330|13.633569|73.516695| |1.355901|1.402058|1.318332|1.338148|1.451000|1.567615|1.535145|1.734432|3.235367|2.013640|2.070345|2.271006|2.458092|2.361041|2.131284|2.642246|4.215984|3.150264|3.175167|3.882507|6.749915|6.146249|3.802997|0.094509|4.246482|4.002071|3.992139|4.231722|31.632084|5.218229|8.140783|24.425717|36.858105| |1.412273|1.488975|1.398347|1.443030|1.604018|1.748870|1.669882|2.020134|3.896611|2.598794|2.769225|3.417693|4.178514|3.650060|2.882083|6.173941|11.054818|7.882937|15.770907|7.976644|11.722831|7.486957|5.284004|0.122800|4.066121|3.181168|2.751057|2.915165|27.923517|3.995796|3.467959|5.548882|2.773083|73.516695| |17.546939|8.835794|5.830898|4.278952|3.973776|4.618229|6.799073|3.659406|6.654390|3.045490|2.925752|2.439023|2.173031|2.225934|2.577273|1.868088|3.172248|1.730183|1.533885|1.466927|2.391863|2.156493|1.786684|0.051532|1.935341|2.127373|2.207553|2.042656|13.146148|1.525983|1.432917|2.700925|1.425203|2.556388|0.500000| |17.539772|8.840125|5.922937|4.318928|3.980795|4.582836|6.672692|3.610802|6.694163|3.040577|2.954261|2.449181|2.160979|2.199988|2.545713|1.860036|3.208274|1.696453|1.509835|1.425807|2.327148|2.069582|1.715411|0.049328|1.825931|1.960456|2.000994|1.883917|12.459215|1.449506|1.355281|2.527641|1.334286|2.541259|0.302448|0.500000| |17.568631|8.829403|7.234900|4.741473|3.963359|4.162808|5.574169|3.210479|5.585827|2.590773|2.460343|2.094513|1.901935|1.964348|2.258042|1.658384|2.840639|1.541443|1.383744|1.325131|2.178295|1.929068|1.579071|0.045646|1.676913|1.815677|1.854442|1.730651|11.370296|1.370498|1.287642|2.400746|1.270814|2.325992|0.301589|0.301654|0.500000| |6.975893|8.914974|17.697294|8.914306|5.648773|4.939288|5.649724|3.548299|5.630760|2.584329|2.340674|2.004510|1.873747|1.995492|2.330753|1.630023|2.772699|1.525799|1.373177|1.322068|2.179970|1.924744|1.569254|0.046075|1.632850|1.765506|1.755303|1.618908|10.811078|1.377451|1.280877|2.359150|1.238190|2.305957|0.150116|0.153660|0.221622|0.500000| |4.086003|5.637798|8.909881|17.703160|8.936173|5.638531|4.967068|4.110354|5.912217|2.734532|2.366192|2.043906|1.969660|2.170607|2.577803|1.706046|2.875161|1.607146|1.446140|1.397996|2.306865|2.037632|1.659497|0.049596|1.689491|1.821345|1.759093|1.605546|10.908296|1.465713|1.343725|2.442646|1.267684|2.421354|0.098919|0.100034|0.112804|0.215348|0.500000| |3.546055|4.934397|5.644206|8.935389|17.686445|8.887867|5.652023|7.078233|8.449794|3.796008|3.034929|2.571741|2.526925|2.923501|3.687890|2.119987|3.509124|1.982232|1.750339|1.681610|2.740739|2.472755|2.054876|0.062873|2.060010|2.225661|2.080065|1.869210|12.877282|1.764556|1.579620|2.850376|1.452462|2.897794|0.090416|0.090597|0.090238|0.124247|0.215721|0.500000| |7.039391|8.902662|5.658218|4.970247|5.665679|8.973295|17.743166|6.987732|14.142135|5.268912|4.702888|3.520631|3.040943|3.191137|3.996060|2.459134|4.112373|2.209794|1.900173|1.783520|2.855508|2.641645|2.266707|0.066484|2.435496|2.679001|2.671232|2.426362|15.968548|1.832218|1.674199|3.131209|1.615193|3.131875|0.195094|0.188272|0.140858|0.124156|0.107798|0.124407|0.500000| |3.429568|4.391841|4.014347|4.575040|6.562404|8.916223|6.106814|17.516433|16.599927|7.178920|4.831030|3.847283|3.784151|4.658073|6.889714|2.933464|4.634547|2.716185|2.280282|2.178737|3.446796|3.318541|2.910183|0.091660|2.994094|3.374385|3.048058|2.619486|17.799269|2.330840|2.035912|3.730343|1.853621|3.656006|0.095175|0.089193|0.082563|0.091261|0.107036|0.180302|0.160654|0.500000| |3.278584|4.230486|3.995209|4.732565|7.111888|8.912564|5.723104|17.533885|16.571608|7.056925|4.766620|3.799051|3.727173|4.581985|6.772094|2.907635|4.729880|2.611998|2.222525|2.075063|3.302129|3.065737|2.661201|0.082629|2.633718|2.808293|2.537978|2.274905|16.043525|2.117050|1.849071|3.327785|1.668743|3.636825|0.086708|0.088639|0.079643|0.090879|0.111985|0.211086|0.145964|0.301913|0.500000| |3.159361|3.351009|2.790454|2.732576|3.160291|4.071597|4.262514|4.876193|13.463386|8.950989|17.720952|8.894825|5.609648|4.974557|5.663693|4.091003|6.913655|3.299619|2.684591|2.369006|3.664982|3.476401|3.169953|0.089338|3.441658|3.533905|3.435559|3.293746|23.122316|2.263022|2.034231|3.801716|1.938470|4.392721|0.090324|0.092806|0.074421|0.068100|0.066203|0.081551|0.147298|0.121137|0.120008|0.500000| |2.246187|2.348828|2.070132|2.070700|2.349932|2.791807|2.786633|3.332162|7.594189|5.648164|8.951525|17.739867|8.944628|5.692656|4.961997|7.114766|12.629738|4.903021|3.786221|3.092625|4.626333|4.426014|4.199333|0.109495|4.478188|4.046773|3.793620|3.950920|31.927235|2.696706|2.405933|4.458051|2.258632|6.159003|0.064277|0.064915|0.055331|0.051975|0.052003|0.063277|0.088161|0.089114|0.088288|0.213960|0.500000| |1.994679|2.225288|2.079650|2.227692|2.649675|2.985022|2.652666|3.911586|7.442099|5.665669|4.974914|5.677293|8.960537|17.723070|8.941730|6.904594|9.089329|6.463382|4.706202|4.138755|6.003120|6.296056|6.378251|0.229513|4.973397|4.565364|3.495693|3.182313|25.895048|3.864793|3.004646|5.140444|2.419216|6.965682|0.055978|0.055164|0.050146|0.051696|0.057171|0.076716|0.077026|0.114807|0.113406|0.107905|0.124827|0.500000| |2.535206|2.993223|2.793298|3.105133|3.996234|4.693350|3.782655|7.430402|12.439706|8.872332|5.632035|4.962865|5.630394|8.927613|17.747407|4.067823|6.142320|3.684964|2.971953|2.760481|4.258168|4.197591|3.855930|0.128318|3.641743|3.839369|3.188184|2.794391|20.448263|2.833074|2.358493|4.192001|2.033839|4.680120|0.070206|0.068988|0.062636|0.067052|0.077550|0.118147|0.106637|0.228000|0.227031|0.124139|0.107733|0.217442|0.500000| |2.068305|2.239100|2.055942|2.127605|2.438815|2.772186|2.617127|3.341572|6.304369|4.182237|3.975170|4.176815|4.732243|5.085707|4.707877|4.144056|5.880905|4.589106|3.619422|3.791956|5.631127|6.908250|6.647353|0.212460|8.938160|17.725754|8.585295|5.738382|37.786486|4.964129|4.093277|8.152229|3.577565|5.254255|0.060782|0.055674|0.052083|0.051640|0.054312|0.067803|0.077623|0.106832|0.085629|0.095692|0.102120|0.137376|0.121799|0.500000| |2.153476|2.227625|2.001585|1.990074|2.195666|2.510977|2.531986|2.810213|5.450518|3.355853|3.460447|3.506601|3.460479|3.356492|3.299563|3.142243|4.833686|3.273933|2.768212|2.838539|4.420284|4.698344|4.010355|0.109556|5.705099|8.573847|17.724509|8.906512|37.692192|3.398991|3.282419|7.171512|3.567011|4.244965|0.065425|0.057907|0.054291|0.051013|0.050581|0.059009|0.077116|0.086126|0.069999|0.091133|0.092865|0.086596|0.084517|0.201336|0.500000| |1.859159|1.874734|1.686302|1.660190|1.804750|2.045310|2.092686|2.259488|4.499974|2.819600|3.142272|3.426591|3.295627|2.930503|2.733475|3.264661|5.240969|3.389872|2.972818|2.968289|4.639856|4.648689|3.816878|0.094720|5.398421|5.691450|8.775387|17.773439|55.265006|3.167529|3.246737|7.183934|3.916166|4.650877|0.055825|0.051367|0.047241|0.043540|0.042524|0.048528|0.064181|0.065956|0.057885|0.084901|0.099165|0.075712|0.068455|0.122591|0.203625|0.500000| |1.568346|1.680653|1.591020|1.660988|1.860735|2.013891|1.891799|2.339099|4.271304|2.757539|2.676780|2.949394|3.510685|3.686581|3.182239|3.656238|5.353241|4.739765|4.376598|5.788516|8.878274|12.560881|7.298380|0.214420|6.422782|6.026241|4.455817|3.965083|31.663449|17.596615|8.944397|13.492858|4.904839|6.166388|0.045260|0.042576|0.040417|0.040777|0.043577|0.052920|0.054666|0.071690|0.063447|0.066061|0.076122|0.113593|0.086287|0.175478|0.107476|0.091659|0.500000| |1.402498|1.499640|1.432682|1.500469|1.670111|1.783021|1.671595|2.051562|3.729287|2.392736|2.338108|2.601590|3.116034|3.238115|2.762351|3.430262|5.193201|4.539764|4.780939|7.280097|12.817724|12.538721|5.889295|0.164047|4.607870|4.047966|3.256472|3.093786|25.823135|17.541075|8.966047|10.311998|4.285291|6.897816|0.040094|0.038311|0.036376|0.036938|0.039711|0.047840|0.047970|0.061578|0.056821|0.058091|0.068180|0.102708|0.075494|0.114236|0.080206|0.074582|0.300969|0.500000| |1.314802|1.384581|1.320587|1.364981|1.493675|1.591243|1.521447|1.783005|3.249608|2.032038|2.020001|2.207645|2.496398|2.513054|2.240858|2.691906|4.222869|3.336164|3.473779|4.734596|8.836845|7.651421|4.157144|0.109712|3.960827|3.693037|3.260643|3.170394|24.904957|8.885614|17.438682|16.590545|7.026319|5.309804|0.037931|0.035808|0.034306|0.034347|0.036193|0.042269|0.043793|0.053423|0.048543|0.051531|0.059271|0.075108|0.060928|0.100160|0.082000|0.078651|0.206626|0.226880|0.500000| |1.313995|1.376346|1.302940|1.339595|1.467563|1.577903|1.518115|1.776351|3.301379|2.096403|2.136780|2.404504|2.738288|2.649021|2.296701|3.110974|4.910330|4.017820|4.468525|6.644598|12.913400|9.830296|4.811594|0.116082|4.464999|3.792130|3.360459|3.474631|30.026562|8.900025|17.577595|16.490525|7.519721|6.747117|0.037868|0.036097|0.034162|0.033855|0.035368|0.041328|0.044089|0.052483|0.048449|0.054408|0.065753|0.078597|0.061063|0.097364|0.081531|0.085980|0.175506|0.206969|0.300748|0.500000| |1.282077|1.326277|1.255501|1.276974|1.378472|1.476176|1.442565|1.621652|2.992363|1.842704|1.874768|2.031267|2.194188|2.139749|1.953791|2.338038|3.764841|2.751590|2.803840|3.425927|6.168705|5.277740|3.264158|0.083636|3.510577|3.392715|3.363439|3.457422|25.286246|4.655829|7.190712|16.460784|17.456460|4.432708|0.037351|0.034958|0.033545|0.032873|0.033772|0.038445|0.041873|0.048175|0.043502|0.048945|0.055872|0.061317|0.052404|0.087459|0.086330|0.090436|0.122621|0.112566|0.206010|0.184274|0.500000| 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