Version2.1 2021-01-06T22:55:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN(C)c1ccc(cc1)[C@@H](CNC(=O)C(=O)NCc2ccco2)S(=O)(=O)c3ccc(cc3)Cl C09080977 RHF 6-31G(d) (6D,7F) CN(C)c1ccc(cc1)[C@@H](CNC(=O)C(=O)NCc2ccco2)S(=O)(=O)c3ccc(cc3)Cl C01[X(C23H24Cl1N3O5S1)] 165 C1 551 Clc1ccc(cc1)S(=O)(=O)[C@@H](c1ccc(cc1)N(C)C)CNC(=O)C(=O)NCc1ccco1 Clc1ccc(cc1)S(=O)(=O)[C@@H](c1ccc(cc1)N(C)C)CNC(=O)C(=O)NCc1ccco1 CN(C)c1ccc(cc1)[C@@H](CNC(=O)C(=O)NCc2occc2)[S](=O)(=O)c3ccc(Cl)cc3 InChIKey=NJEBEJBBMXWWGB-OAQYLSRUSA-N InChI=1S/C23H24ClN3O5S/c1-27(2)18-9-5-16(6-10-18)21(33(30,31)20-11-7-17(24)8-12-20)15-26-23(29)22(28)25-14-19-4-3-13-32-19/h3-13,21H,14-15H2,1-2H3,(H,25,28)(H,26,29)/t21-/m1/s1 InChI=1/C23H24ClN3O5S/c1-27(2)18-9-5-16(6-10-18)21(33(30,31)20-11-7-17(24)8-12-20)15-26-23(29)22(28)25-14-19-4-3-13-32-19/h3-13,21H,14-15H2,1-2H3,(H,25,28)(H,26,29)/t21-/m1/s1/f/h25-26H CN(C)c1ccc(cc1)[C@@H](CNC(=O)C(=O)NCc2ccco2)S(=O)(=O)c3ccc(cc3)Cl C01[X(C23H24Cl1N3O5S1)] 165 C01 551 Clc1ccc(cc1)S(=O)(=O)[C@@H](c1ccc(cc1)N(C)C)CNC(=O)C(=O)NCc1ccco1 O=[C]([NH]CC1=[CH][CH]=CO1)[C]([NH]C[C@@H]([S]([O])([O])[C]1[CH][CH][C]([CH][CH]1)Cl)[C]1[CH][CH][C]([CH][CH]1)N(C)C)=O CN(C)[C]1[CH][CH][C]([CH][CH]1)[C@@H](CNC(=O)C(=O)NCc2occc2)[S]([O])([O])[C]3[CH][CH][C](Cl)[CH][CH]3 InChIKey=NJEBEJBBMXWWGB-OAQYLSRUSA-N InChI=1S/C23H24ClN3O5S/c1-27(2)18-9-5-16(6-10-18)21(33(30,31)20-11-7-17(24)8-12-20)15-26-23(29)22(28)25-14-19-4-3-13-32-19/h3-13,21H,14-15H2,1-2H3,(H,25,28)(H,26,29)/t21-/m1/s1 InChI=1/C23H24ClN3O5S/c1-27(2)18-9-5-16(6-10-18)21(33(30,31)20-11-7-17(24)8-12-20)15-26-23(29)22(28)25-14-19-4-3-13-32-19/h3-13,21H,14-15H2,1-2H3,(H,25,28)(H,26,29)/t21-/m1/s1/f/h25-26H 3620.2761724730 -2279.5256461 1-A 25173.0630 128 423 551 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1561.5728 1589.9161 1608.5829 1619.7567 1639.7083 1640.0282 1647.4380 1655.8522 1659.6960 1664.7272 1682.3839 1702.0050 1706.0065 1713.3576 1756.3054 1763.8895 1768.6411 1789.4947 1816.8243 1817.6896 1940.5973 1973.7727 3173.6660 3182.1402 3233.8569 3248.3442 3255.9602 3259.0159 3262.4367 3305.8991 3323.7658 3336.9590 3338.4020 3371.4716 3379.0445 3403.6057 3405.3957 3419.0085 3419.8315 3420.4832 3425.0053 3436.8080 3449.5489 3481.9208 3833.0519 3867.8021 7.2590 6.7250 5.9565 6.2434 6.2704 3.2210 6.2910 5.0365 4.9397 7.0920 3.6119 6.6459 4.8895 4.2471 6.0926 3.9783 3.3425 7.3626 3.4102 4.9557 2.0695 2.1812 4.0419 2.9423 6.3776 3.9293 7.1747 4.9190 5.3869 4.8622 4.1818 2.1269 4.3717 5.4907 4.7795 2.9748 3.0139 3.9301 6.0248 5.3436 4.2516 5.5616 4.1447 4.8094 7.2511 3.6967 3.5250 4.9764 4.1712 2.8301 1.2152 7.1040 4.2357 7.0160 2.6718 1.7188 2.3663 4.5737 3.7473 3.9869 4.0981 1.8791 2.1245 8.7917 1.2766 2.5617 2.3256 1.5574 1.3938 1.3695 2.8491 5.8479 1.3929 3.7959 3.2537 2.1427 1.5701 1.3613 1.6248 1.3903 2.7960 3.5259 1.4074 2.3217 3.6064 2.9977 1.5535 6.6866 2.0348 3.7435 2.9240 3.5490 1.9576 3.0214 1.4329 1.3968 2.4421 1.8312 3.4206 1.9577 1.1798 1.5557 2.5441 1.5872 2.1602 1.5685 1.3073 1.9360 2.0509 3.2306 1.8992 1.4930 1.3175 1.3287 1.4467 3.1308 1.3852 2.5372 1.4630 2.5067 1.6011 1.5921 1.0903 1.2013 1.0483 1.0589 1.0990 2.0693 1.0625 1.0589 2.2491 3.9014 2.1285 5.6885 6.2084 2.5984 5.1902 5.0312 6.2355 9.5860 11.5630 1.0508 1.0544 1.0726 1.0695 1.0846 1.0877 1.0899 1.1015 1.0977 1.0986 1.0952 1.0905 1.0915 1.0912 1.0918 1.0922 1.0959 1.0924 1.0959 1.0934 1.0992 1.1063 1.0791 1.0786 0.0002 0.0008 0.0013 0.0020 0.0028 0.0021 0.0067 0.0055 0.0074 0.0144 0.0094 0.0205 0.0194 0.0277 0.0503 0.0469 0.0447 0.1185 0.0610 0.1111 0.0552 0.0662 0.1322 0.1209 0.2712 0.1747 0.3421 0.2763 0.3366 0.3148 0.3085 0.1702 0.3894 0.5708 0.5733 0.3670 0.3820 0.5296 0.8576 0.8088 0.6591 0.9286 0.7340 0.9318 1.4898 0.7662 0.7826 1.1312 1.0407 0.7258 0.3148 1.9833 1.2082 2.0449 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6.7695 23.5992 34.5783 1.9641 0.2501 0.1357 45.0308 36.4870 31.2770 3.9644 5.5697 23.3225 3.1341 97.0197 16.0016 76.2140 29.1312 57.4817 15.5993 72.8967 0.8735 10.6143 1.5247 25.8929 51.7203 54.9589 13.2480 23.5714 17.2148 23.9946 16.8776 158.7914 1.3754 4.6117 38.7890 30.2031 12.8333 12.9883 18.6192 34.8050 7.4582 0.5992 26.4595 27.4867 10.9957 5.5402 1.0248 13.0368 3.1999 1.9695 23.9115 1.0619 1.1681 5.5989 14.1537 24.7793 102.0840 7.1107 147.9973 12.9953 15.7417 18.8132 94.5730 10.0179 51.8517 2.5714 21.5194 18.1055 53.6509 7.6147 6.1871 121.2024 41.7216 56.6387 73.6766 198.5221 16.6758 67.2806 185.5030 48.5408 9.9865 1.7046 47.4741 18.2795 234.2800 43.6127 22.4151 10.6802 7.5340 1.6434 2.6249 12.9385 38.8089 1.9028 6.7592 12.7643 41.5174 3.3829 46.9643 485.0247 60.8348 735.0419 10.5920 5.9668 9.5800 78.2841 166.8314 2.7179 663.9121 21.5998 62.6875 68.0376 32.0468 34.3682 4.9595 17.8332 68.9043 4.0245 74.5626 2.1784 3.5650 17.5553 6.6705 0.7921 1.1016 13.1231 0.8132 12.0147 0.5003 5.9710 1.0273 3.6281 120.6406 90.8485 0.6633 0.8062 1.7270 3.0851 5.4015 1.8159 0.7243 4.5263 1.3344 2.5151 2.4584 1.7839 4.5096 0.1942 0.5085 0.2996 0.4458 0.7163 0.8750 2.3149 1.0888 2.7301 1.8634 2.4806 3.8239 1.0879 3.0799 1.3428 1.7113 2.4470 0.9232 1.0096 0.7614 0.6378 1.2421 0.0132 0.0766 1.2774 1.5954 0.9559 1.1079 1.3512 0.8507 3.8019 0.5764 2.4916 1.5610 0.7287 0.7422 1.4110 0.5793 6.2866 4.4407 5.8049 17.5986 2.4090 1.0472 23.2925 2.3916 4.0899 3.3973 4.4102 7.1410 1.9493 1.4236 8.9941 3.3419 2.5883 1.1778 0.7878 18.0874 6.1852 3.7480 8.2960 3.1595 1.8139 1.8281 0.3295 2.8983 0.7944 2.5483 0.4251 0.1708 3.4852 7.4957 1.6491 0.7973 6.6270 0.8701 18.3976 18.4578 8.8043 5.0007 17.9101 3.6217 10.4502 6.5316 3.2086 0.6831 21.5262 3.5200 29.2581 6.4092 3.6263 1.2925 8.6970 4.1953 9.4397 7.3087 5.5998 4.6534 6.3331 0.2960 29.5984 5.5210 39.1510 2.7885 0.2906 5.2690 11.2132 10.7749 6.2870 18.3490 12.9435 6.7159 35.4373 13.1534 0.7060 7.2786 15.7432 12.3669 59.4371 14.1520 1.1399 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15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 11859.4471 37574.9414 43581.9739 0.99976 0.02170 0.00155 -0.02172 0.99972 0.00935 -0.00135 -0.00938 0.99996 1 0.00730 0.00231 0.00199 0.15218 0.04803 0.04141 10.11 20.62 28.10 33.38 39.37 47.43 61.34 62.21 72.47 84.55 95.84 104.17 118.21 151.44 170.39 203.47 216.69 237.81 250.73 280.60 306.03 326.48 338.94 379.90 386.50 395.25 409.30 444.20 468.58 476.94 509.09 530.30 559.42 604.35 649.19 658.37 667.34 688.07 707.19 729.26 738.02 765.94 788.83 825.08 849.63 853.34 883.17 893.66 936.25 949.26 953.95 990.40 1001.07 1011.95 1096.04 1132.13 1142.93 1157.83 1168.12 1178.16 1200.54 1233.49 1240.85 1311.94 1318.06 1331.14 1337.62 1358.60 1364.41 1366.81 1391.94 1399.49 1449.99 1483.56 1497.75 1538.15 1554.43 1573.26 1583.51 1587.03 1589.34 1599.23 1608.48 1623.72 1640.39 1673.82 1692.22 1704.22 1719.31 1729.11 1741.74 1749.85 1778.04 1788.27 1795.97 1802.68 1828.07 1841.51 1853.61 1870.93 1879.20 1903.87 1925.36 1935.03 1942.01 1956.17 1963.64 2014.03 2033.04 2051.31 2055.81 2073.01 2083.83 2105.72 2150.34 2157.01 2197.44 2228.39 2237.43 2246.75 2287.53 2314.39 2330.47 2359.17 2359.63 2370.30 2382.40 2387.93 2395.17 2420.58 2448.81 2454.56 2465.14 2526.93 2537.84 2544.68 2574.68 2614.01 2615.25 2792.09 2839.82 4566.20 4578.39 4652.80 4673.64 4684.60 4689.00 4693.92 4756.45 4782.16 4801.14 4803.22 4850.80 4861.69 4897.03 4899.60 4919.19 4920.37 4921.31 4927.82 4944.80 4963.13 5009.71 5514.91 5564.90 0.482353 0.512125 0.513070 0.413653 -2279.043293 -2279.013521 -2279.012576 -2279.111993 3.334463D-04 MUNgauss RevisionA2.0 retrievium 06-Jan-2021 DUDE CN(C)c1ccc(cc1)[C@@H](CNC(=O)C(=O)NCc2ccco2)S(=O)(=O)c3ccc(cc3)Cl C09080977 RHF 6-31G(d) (6D,10F) C1 489.112521 |X|Y|Z| 136.276131 69.792582 41.603897 73.415488 25 6 7 8 16 21 2 1 1 |36.858105| |13.162315|53.358707| |7.702840|17.922739|36.858105| |7.809861|18.750203|7.810860|36.858105| |6.723793|10.667783|5.102210|13.580260|36.858105| |4.525192|7.024909|3.922186|7.862262|13.813043|36.858105| |3.744233|6.140557|3.743605|6.707815|7.867591|13.702859|36.858105| |3.922524|7.021666|4.523402|7.860370|6.925403|8.040402|13.718471|36.858105| |5.105092|10.669343|6.726201|13.597068|7.973770|6.926298|7.866828|13.789903|36.858105| |2.904536|4.520331|2.897889|4.375631|5.013074|7.567835|12.582192|7.469245|4.981727|36.858105| |2.796031|4.214701|2.664571|3.969092|4.781690|7.259226|8.946911|5.645455|4.215722|17.564222|0.500000| |2.520365|3.964557|2.655897|3.663862|3.857698|5.016737|7.412935|6.353537|4.379516|12.380502|0.247667|36.858105| |2.159018|3.291285|2.221179|2.917789|3.117895|3.917290|4.995090|4.307101|3.305059|7.653814|0.206264|13.204352|53.358707| |2.005647|3.037019|2.063758|2.629713|2.779903|3.356696|4.040662|3.632394|2.931740|5.347699|0.153826|7.837351|19.452230|36.858105| |2.057242|3.141707|2.142330|2.702559|2.808942|3.308716|3.938158|3.672838|3.023833|4.767298|0.135450|6.738833|11.450431|15.827489|73.516695| |1.748594|2.593980|1.774670|2.193941|2.328337|2.747314|3.145638|2.844178|2.386742|4.007736|0.118359|5.044434|10.814442|12.378981|14.179999|36.858105| |1.679907|2.472833|1.693817|2.086215|2.226232|2.631710|2.990340|2.682656|2.256752|3.861381|0.113638|4.616548|9.644712|7.966120|9.800785|15.866656|73.516695| |1.636987|2.414140|1.660161|2.008784|2.115417|2.434335|2.715958|2.505557|2.162030|3.266930|0.096611|3.953656|7.286295|7.955749|12.658778|14.274170|14.973645|53.358707| |1.462145|2.131692|1.474755|1.748029|1.837365|2.080282|2.272968|2.113159|1.860050|2.670927|0.078681|3.088168|5.368162|5.038318|8.226996|7.805725|11.950319|17.892199|36.858105| |1.360910|1.989653|1.394283|1.618003|1.674941|1.871032|2.055092|1.954795|1.734705|2.373462|0.068041|2.769278|4.642454|4.176686|7.015847|5.742921|9.378773|10.547699|12.753382|36.858105| |1.282004|1.870401|1.318659|1.514904|1.561895|1.737022|1.907881|1.826146|1.626203|2.196790|0.062227|2.537764|4.184289|3.551964|5.849960|4.675437|8.395911|7.313423|7.321670|14.216384|36.858105| |1.218605|1.780994|1.267044|1.430804|1.458759|1.602362|1.757924|1.711015|1.539977|1.983319|0.055518|2.290942|3.642883|3.058100|5.235684|3.707412|6.443883|5.747080|5.138992|8.571962|13.217556|36.858105| |1.252328|1.835449|1.306064|1.472405|1.496179|1.637435|1.795288|1.755768|1.585638|2.007186|0.056292|2.335079|3.680534|3.179606|5.659480|3.754720|6.171525|6.154819|5.342231|8.771855|8.600031|14.238852|36.858105| |1.339847|1.964927|1.385838|1.586997|1.625730|1.794539|1.968323|1.902233|1.705236|2.223559|0.063176|2.604735|4.206150|3.801606|6.821777|4.682032|7.308445|8.559985|7.875911|14.119012|8.634708|8.628061|14.155310|73.516695| |2.595116|3.896804|2.559416|3.581310|4.049614|5.470674|6.878340|5.192108|3.929295|10.482247|0.232352|6.842485|7.821691|4.134104|6.319820|3.500448|6.498619|3.873022|2.436505|2.201251|2.099143|1.886953|1.865094|3.605748|388.023441| |2.759820|3.995944|2.560164|3.631853|4.358960|5.868163|6.086852|4.515456|3.704063|7.252595|0.195780|4.808565|5.794314|3.355482|5.307039|2.954751|5.474063|3.389878|2.182321|1.963671|1.873259|1.690279|1.673184|3.229257|94.275157|73.516695| |2.179867|3.236272|2.172332|2.862824|3.153256|4.010801|4.829117|3.976409|3.134855|7.256569|0.185898|6.417498|9.041793|4.615625|6.621168|4.133164|8.200157|4.375364|2.764282|2.488326|2.397858|2.112428|2.054169|3.976718|93.858098|13.583709|73.516695| |2.602265|3.990222|2.727493|3.607268|3.758383|4.569229|5.801856|5.364836|4.165756|6.565964|0.141041|5.460937|5.994491|3.380790|5.390989|2.897002|5.327241|3.307467|2.118812|1.979990|1.920426|1.765326|1.741113|3.296865|76.432758|13.016591|13.065368|36.858105| |2.935709|4.498710|3.083870|4.042927|4.120480|4.700132|5.500338|5.399023|4.567290|5.219915|0.118062|4.257033|4.710149|2.809794|4.639040|2.434038|4.413428|2.863045|1.857030|1.743257|1.690145|1.571315|1.558525|2.936726|49.468374|11.398002|8.816334|13.727212|36.858105| |2.740537|4.201932|3.031705|3.580315|3.447148|3.674065|4.178702|4.467513|4.079716|3.918386|0.091640|3.487995|3.969716|2.448298|4.103818|2.153926|3.897264|2.575272|1.690672|1.612481|1.577190|1.484444|1.470467|2.738732|33.654599|7.826529|6.828107|7.957958|13.783238|36.858105| |2.345505|3.598658|2.655465|3.010322|2.874906|3.084270|3.585309|3.888089|3.496200|3.544140|0.083275|3.387418|3.943609|2.445541|4.080969|2.172304|3.953154|2.594628|1.711107|1.654607|1.634847|1.547349|1.523838|2.811857|29.999795|6.593387|6.613562|6.943950|7.981251|13.754473|36.858105| |2.160613|3.314086|2.412037|2.808411|2.735486|3.036292|3.647979|3.854753|3.292576|3.870073|0.089933|3.886187|4.590957|2.785582|4.550770|2.476101|4.558921|2.905315|1.905979|1.849832|1.837761|1.729165|1.690627|3.117916|33.651255|6.844193|7.906108|7.951912|6.843322|7.884645|13.770656|36.858105| |2.253144|3.454944|2.438537|3.016762|3.038897|3.545083|4.433634|4.408070|3.534379|5.110461|0.114539|5.051816|5.866482|3.357532|5.316665|2.931679|5.454256|3.339117|2.154570|2.055219|2.023538|1.870703|1.828245|3.419616|49.520848|8.875868|11.622392|13.738662|7.895129|6.849015|7.985061|13.763230|36.858105| |2.109721|3.196925|2.441389|2.557363|2.396314|2.478717|2.777253|3.051220|2.905352|2.703918|0.065727|2.648764|3.178560|2.044955|3.469942|1.850159|3.351911|2.257009|1.510542|1.480001|1.472982|1.413581|1.392209|2.539191|21.661362|4.960916|4.972838|4.250663|4.781614|7.056234|10.959215|7.058091|4.781282|448.794386| |17.637322|12.531282|7.547079|5.723423|4.893493|3.614549|3.129640|3.327432|4.241095|2.514198|0.067325|2.238646|2.645666|1.824457|3.339554|1.605688|2.743383|2.062327|1.363061|1.276863|1.206119|1.152908|1.185970|2.245160|16.185116|4.258593|3.465877|2.308493|2.588243|2.477636|2.157408|1.983978|2.039936|15.948910|0.500000| |17.586112|12.373295|5.752469|6.895570|6.920402|4.673131|3.721207|3.732901|4.611972|2.921031|0.080062|2.522806|2.973684|2.048045|3.751357|1.788227|3.041026|2.289951|1.501515|1.387619|1.300087|1.232129|1.269775|2.428174|18.239754|4.887471|3.857231|2.487412|2.736382|2.509221|2.172236|2.037549|2.154325|15.591924|0.303784|0.500000| |17.489942|12.220493|6.219796|6.870168|6.555876|4.547055|3.709289|3.783386|4.718075|2.910414|0.077758|2.478657|2.902292|1.958398|3.520359|1.720433|2.968523|2.177795|1.435180|1.335501|1.264218|1.197959|1.223835|2.323163|19.170761|5.230149|3.986196|2.724160|3.151573|2.934937|2.458552|2.234903|2.327036|17.678510|0.301069|0.300429|0.500000| |6.230652|12.218876|17.485454|6.855207|4.703672|3.773682|3.701299|4.538769|6.548550|2.896845|0.072866|2.651117|3.008705|2.029057|3.698708|1.751937|2.997995|2.215122|1.449839|1.376903|1.310732|1.259580|1.291061|2.423923|18.769176|4.679799|3.962116|2.919316|3.403393|3.456852|2.985389|2.636178|2.612758|22.244080|0.167271|0.131493|0.160029|0.500000| |5.746914|12.379663|17.585679|6.912235|4.619668|3.740264|3.727345|4.678120|6.934215|2.914812|0.074044|2.756165|3.121953|2.152328|4.028323|1.835179|3.085965|2.347300|1.524553|1.446639|1.363990|1.316373|1.364254|2.573381|17.878968|4.364247|3.841276|2.673673|2.940409|2.894673|2.604979|2.408028|2.434500|19.280398|0.156634|0.133484|0.131362|0.300397|0.500000| |7.537137|12.532740|17.637161|5.723633|4.239111|3.327426|3.129386|3.613651|4.895079|2.510582|0.065254|2.317906|2.698152|1.861945|3.437797|1.623285|2.760187|2.084349|1.372225|1.300571|1.232178|1.187707|1.224716|2.303706|16.032929|4.051180|3.456945|2.379806|2.670023|2.649156|2.349552|2.140416|2.151759|17.717399|0.251030|0.156949|0.166415|0.301056|0.303790|0.500000| |7.601964|9.656822|4.636627|8.834585|17.785470|9.037719|5.648219|4.985390|5.646086|4.118867|0.114341|3.255298|3.742526|2.495526|4.476291|2.141290|3.659745|2.677863|1.730450|1.575363|1.470912|1.374326|1.408441|2.717835|25.032179|7.005419|5.023284|3.235600|3.549085|3.035429|2.552933|2.423012|2.662490|17.456879|0.148514|0.245322|0.213765|0.117324|0.113844|0.113514|0.500000| |3.959177|5.706611|3.282853|5.628561|9.006549|17.723040|8.920082|5.686273|4.980338|7.041264|0.219250|4.626912|5.264796|3.331694|5.724770|2.795767|4.814616|3.366184|2.127188|1.889302|1.751417|1.601549|1.630276|3.191455|39.307576|11.643814|7.354700|4.240957|4.243152|3.318257|2.821282|2.812747|3.314664|18.349294|0.089886|0.117152|0.112924|0.088042|0.086792|0.080117|0.220674|0.500000| |3.287431|5.716272|3.968951|5.638828|4.979951|5.675053|8.882855|17.718544|9.039488|6.857196|0.141353|7.050071|6.278064|3.857695|6.930059|2.981083|4.984544|3.549759|2.188386|2.050702|1.924214|1.811934|1.858141|3.559005|35.679521|7.281075|7.205602|5.563298|5.262936|4.565964|4.229557|4.351907|4.943234|26.435887|0.080234|0.086723|0.088334|0.113106|0.117627|0.090075|0.108081|0.124252|0.500000| |4.638430|9.653688|7.606582|8.839228|5.645215|4.985865|5.648718|9.030980|17.785299|4.088511|0.097315|3.853764|4.068286|2.700384|4.997182|2.224568|3.737906|2.771237|1.764891|1.667567|1.571060|1.502720|1.550030|2.938424|24.045624|5.602511|4.982266|3.730721|4.093255|3.913307|3.469073|3.227285|3.326564|24.037162|0.113558|0.113659|0.117649|0.214169|0.245348|0.148576|0.123477|0.108091|0.221935|0.500000| |2.621662|4.191257|2.808209|3.873378|3.979335|4.996809|7.174910|6.692531|4.699510|8.927248|0.205113|17.665661|12.707629|7.694204|14.272627|4.767925|7.336265|5.402303|3.059511|2.749024|2.477131|2.268759|2.361133|4.715454|36.484649|7.134216|8.411881|4.394600|3.703477|3.141738|3.040274|3.373409|4.101022|19.744641|0.064809|0.073401|0.070145|0.076378|0.082651|0.067844|0.092661|0.124413|0.205838|0.115540|0.500000| |2.435456|3.866541|2.664169|3.524232|3.555839|4.398921|6.403970|6.313994|4.372162|8.757875|0.174794|17.564544|12.467327|6.180605|9.723363|4.403999|7.422559|4.799754|2.842807|2.638744|2.473515|2.265316|2.289158|4.441138|46.419497|7.966994|11.047918|6.236937|4.667985|3.917927|3.955609|4.747164|6.309189|24.256070|0.060623|0.066492|0.066862|0.075328|0.077129|0.064352|0.083426|0.110441|0.221155|0.110839|0.303347|0.500000| |2.036891|3.061636|2.071905|2.684909|2.892361|3.612209|4.447121|3.810500|2.991278|6.769781|0.186827|8.973399|25.947246|9.489981|10.839943|7.732149|14.889600|6.868626|3.928114|3.404678|3.151284|2.692958|2.651820|5.324100|44.217078|8.028033|15.267228|4.587845|3.504709|2.940630|2.943886|3.489529|4.570084|18.929104|0.051082|0.057091|0.056543|0.057781|0.058788|0.051692|0.071865|0.101497|0.112075|0.075484|0.179501|0.208999|0.500000| |1.682245|2.494476|1.718216|2.071413|2.163850|2.468702|2.756076|2.576688|2.236198|3.234911|0.094949|3.960068|6.912190|7.812288|15.136596|9.556571|10.894977|26.021043|8.940901|6.544336|4.634346|3.939314|4.462671|11.138053|19.399291|4.261925|5.304345|2.360938|2.067148|1.867167|1.875660|2.082182|2.371199|13.160803|0.043319|0.048135|0.045309|0.046488|0.049958|0.044013|0.055758|0.068918|0.074587|0.058719|0.115794|0.097682|0.125964|0.500000| |1.443265|2.092326|1.442803|1.718137|1.820717|2.072970|2.252550|2.069978|1.818566|2.678330|0.079553|3.027636|5.315583|4.703184|7.299844|7.476797|13.653963|12.607923|17.660970|9.023361|6.870934|4.634147|4.450990|10.242073|17.882032|4.026088|5.182080|2.160864|1.884449|1.708246|1.726866|1.928884|2.194279|12.191394|0.037307|0.041147|0.039608|0.039556|0.041152|0.037309|0.047805|0.059491|0.059231|0.047717|0.081211|0.077514|0.112904|0.179420|0.500000| |1.430538|2.073247|1.431460|1.688317|1.778179|1.995188|2.145255|1.995063|1.778112|2.470801|0.073450|2.791399|4.674791|4.313176|7.430950|5.892059|9.056419|12.574676|17.580100|8.984615|5.762316|4.487225|4.891502|12.754165|15.904181|3.627681|4.411070|1.948205|1.731720|1.579937|1.587659|1.746652|1.958740|11.323751|0.037143|0.041029|0.038887|0.038885|0.041097|0.037176|0.046877|0.056893|0.056814|0.046875|0.078142|0.070993|0.093644|0.219645|0.301805|0.500000| |1.267376|1.842646|1.296752|1.494333|1.547976|1.727625|1.893558|1.800163|1.599817|2.197027|0.062325|2.504844|4.149445|3.404520|5.450404|4.519833|8.769943|6.561318|6.336717|8.842680|17.798844|8.430160|5.853592|10.457626|15.280573|3.414964|4.436746|1.959938|1.717019|1.599938|1.661265|1.875687|2.072408|11.987094|0.033079|0.035654|0.034896|0.035940|0.037068|0.033657|0.040565|0.048645|0.052551|0.042804|0.066720|0.068060|0.089279|0.112830|0.190659|0.139526|0.500000| |1.157082|1.688188|1.207016|1.349866|1.370845|1.497279|1.638639|1.604328|1.452231|1.834656|0.051034|2.099380|3.279656|2.680295|4.585492|3.153617|5.598713|4.696390|4.031482|5.842100|8.432218|17.801109|8.834572|10.450230|12.577363|2.827488|3.510317|1.677061|1.500054|1.428664|1.497677|1.671699|1.789060|11.084592|0.030499|0.032394|0.031660|0.033443|0.034788|0.031502|0.035935|0.041494|0.047250|0.039542|0.057508|0.058326|0.067786|0.090231|0.105287|0.100194|0.192601|0.500000| |1.221516|1.791471|1.281593|1.428202|1.441369|1.563537|1.708924|1.687806|1.537885|1.882682|0.052553|2.180678|3.356148|2.872259|5.241780|3.240314|5.288272|5.217831|4.279717|6.032579|5.814909|8.618913|17.835932|16.489487|12.376999|2.789065|3.360149|1.641655|1.482649|1.407639|1.458881|1.607234|1.721445|10.786894|0.032261|0.034376|0.033054|0.035131|0.037317|0.033476|0.037732|0.043031|0.049644|0.042021|0.061947|0.059665|0.066483|0.109249|0.100708|0.113769|0.123057|0.195251|0.500000| |3.331800|5.012834|3.306371|4.579451|4.894416|5.552495|5.937360|5.483079|4.841617|5.233483|0.122690|4.004118|4.459943|2.700057|4.499279|2.342780|4.222337|2.779675|1.805474|1.679770|1.618096|1.501824|1.496043|2.833382|47.238134|12.934461|8.116270|8.913563|17.765416|8.924420|5.663844|4.940493|5.633204|31.635083|0.079890|0.086115|0.102028|0.100660|0.085370|0.079417|0.117404|0.139487|0.136601|0.115759|0.099023|0.115393|0.091404|0.055929|0.050923|0.047170|0.045584|0.039727|0.039585|0.500000| |2.880156|4.359104|3.197448|3.589136|3.394513|3.453404|3.738728|4.037178|3.946563|3.385735|0.081399|3.008074|3.469878|2.188605|3.716540|1.940413|3.492817|2.352090|1.554994|1.485079|1.451657|1.373234|1.364333|2.535836|27.781010|6.834087|5.723905|5.650090|8.910538|17.757887|8.918042|5.629984|4.942818|53.954799|0.072921|0.071940|0.087147|0.104054|0.082919|0.078221|0.084532|0.086698|0.111205|0.106972|0.077260|0.091470|0.070913|0.047582|0.043564|0.040667|0.040817|0.036793|0.036443|0.214271|0.500000| 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