Version2.1 2021-01-15T01:05:46Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1C)NC(=O)N2CCC3=c4cc(ccc4=[NH+][C@H]3[C@H]2c5ccc(cc5)F)Cl C63572398 RHF 6-31G(d) (6D,7F) Cc1cccc(c1C)NC(=O)N2CCC3=c4cc(ccc4=[NH+][C@H]3[C@H]2c5ccc(cc5)F)Cl C01[X(C26H24Cl1F1N3O1)] 162 C1 532 Fc1ccc(cc1)[C@H]1N(CCC2=c3c(=[NH+][C@@H]12)ccc(c3)Cl)C(=O)Nc1cccc(c1C)C Fc1ccc(cc1)[C@H]1N(CCC2=c3c(=[NH+][C@@H]12)ccc(c3)Cl)C(=O)Nc1cccc(c1C)C Cc1cccc(NC(=O)N2CCC3=C4C=C(Cl)C=CC4=[NH+][C@H]3[C@H]2c5ccc(F)cc5)c1C InChIKey=SKJHSQNDPQYXAB-JWQCQUIFSA-O InChI=1S/C26H23ClFN3O/c1-15-4-3-5-22(16(15)2)30-26(32)31-13-12-20-21-14-18(27)8-11-23(21)29-24(20)25(31)17-6-9-19(28)10-7-17/h3-11,14,24-25H,12-13H2,1-2H3,(H,30,32)/p+1/t24-,25-/m1/s1 InChI=1/C26H23ClFN3O/c1-15-4-3-5-22(16(15)2)30-26(32)31-13-12-20-21-14-18(27)8-11-23(21)29-24(20)25(31)17-6-9-19(28)10-7-17/h3-11,14,24-25H,12-13H2,1-2H3,(H,30,32)/p+1/t24-,25-/m1/s1/fC26H24ClFN3O/h29-30H/q+1 Cc1cccc(c1C)NC(=O)N2CCC3=c4cc(ccc4=[NH+][C@H]3[C@H]2c5ccc(cc5)F)Cl C01[X(C26H24Cl1F1N3O1)] 162 C01 532 Fc1ccc(cc1)[C@H]1N(CCC2=c3c(=[NH+][C@@H]12)ccc(c3)Cl)C(=O)Nc1cccc(c1C)C O=C(N1CCC2=[C]3[C]([NH][C@H]2[C@H]1[C]1[CH][CH][C]([CH][CH]1)F)[CH]=[CH][C](=[CH]3)Cl)N[C]1[CH][CH][CH][C]([C]1C)C C[C]1[CH][CH][CH][C](NC(=O)N2CCC3=C4C=C(Cl)C=C[C]4N[C@H]3[C@H]2[C]5[CH][CH][C](F)[CH][CH]5)[C]1C InChIKey=UJNAEXRBZILRKM-JWQCQUIFSA-N InChI=1S/C26H24ClFN3O/c1-15-4-3-5-22(16(15)2)30-26(32)31-13-12-20-21-14-18(27)8-11-23(21)29-24(20)25(31)17-6-9-19(28)10-7-17/h3-11,14,24-25,29H,12-13H2,1-2H3,(H,30,32)/t24-,25-/m1/s1 InChI=1/C26H24ClFN3O/c1-15-4-3-5-22(16(15)2)30-26(32)31-13-12-20-21-14-18(27)8-11-23(21)29-24(20)25(31)17-6-9-19(28)10-7-17/h3-11,14,24-25,29H,12-13H2,1-2H3,(H,30,32)/t24-,25-/m1/s1/f/h30H 3248.6707628327 -1795.4933312 1-A 18920.3353 117 415 532 |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| -104.94817 -26.40300 -20.63388 -15.77724 -15.70828 -15.68868 -11.48686 -11.48686 -11.45362 -11.44374 -11.43501 -11.42750 -11.42653 -11.41606 -11.40964 -11.40803 -11.40306 -11.39735 -11.38917 -11.35880 -11.35760 -11.35154 -11.34844 -11.34197 -11.33875 -11.31641 -11.30911 -11.30586 -11.30027 -11.29828 -11.29377 -11.28451 -10.68136 -8.15078 -8.14718 -8.14712 -1.72344 -1.52168 -1.48531 -1.38619 -1.34366 -1.33304 -1.27673 -1.27251 -1.25096 -1.22758 -1.19181 -1.18253 -1.14344 -1.13862 -1.13483 -1.12843 -1.10445 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33.3551 1.3313 6.4212 9.2713 42.7956 17.2102 8.5723 10.8790 9.1315 9.4815 6.5250 8.2990 6.8873 21.0087 31.7377 6.2009 24.5931 6.4985 40.7042 86.7063 9.4326 20.5586 16.1584 48.5497 2.5886 49.2524 4.6603 11.6126 25.8716 4.9778 22.1552 4.0016 11.5901 18.4524 6.4134 8.6894 1.9011 24.8489 38.7236 31.2266 40.6913 0.6215 3.4097 43.0297 15.7640 0.4494 5.5777 5.2982 5.5658 3.6419 0.4345 8.3524 15.2716 40.3195 25.3623 37.5772 1.8135 8.4742 23.1281 122.3558 225.0047 70.6052 28.0813 94.8657 156.0930 130.0177 43.1111 37.5579 54.8709 111.0559 10.5101 8.7627 26.7987 46.8771 142.6446 0.1212 69.1983 0.1394 23.9181 1.7026 28.5265 2.8445 2.2213 11.7057 129.1658 10.3164 19.9042 3.0404 21.1837 757.4578 118.2914 9.8148 232.9376 13.5966 12.6635 5.6891 79.5852 300.0829 269.0380 24.5962 7.7563 22.7260 21.0115 22.9399 19.8098 6.1236 32.4560 21.8617 33.8380 3.2347 13.4528 0.0233 5.3198 29.4227 19.7900 20.6480 0.3165 4.5202 0.5057 2.0825 0.0898 48.6511 165.4471 0.7653 5.2815 3.3835 1.1229 3.5358 7.4247 2.4776 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84.7205 61.8716 48.0515 69.8342 80.3286 31.4244 108.5250 75.7197 58.9929 69.0019 49.0818 202.1015 54.5610 76.4797 167.3729 24.8845 198.2223 59.0727 61.3403 0.7487 0.7496 0.7418 0.7415 0.7442 0.7497 0.7021 0.7015 0.5996 0.7066 0.7158 0.6986 0.5704 0.7494 0.0849 0.3494 0.6824 0.3457 0.5094 0.5903 0.7130 0.4127 0.5650 0.4070 0.7495 0.4375 0.5456 0.3833 0.6000 0.4713 0.5940 0.6515 0.3123 0.2477 0.6249 0.7491 0.7440 0.4129 0.4264 0.3861 0.4729 0.2803 0.5864 0.3793 0.5216 0.2827 0.6965 0.5348 0.7476 0.1284 0.1866 0.1854 0.7280 0.2286 0.5041 0.6575 0.7322 0.3663 0.2308 0.5969 0.7434 0.0980 0.6899 0.5115 0.4567 0.2258 0.7254 0.4080 0.1691 0.6138 0.6902 0.7475 0.1884 0.7047 0.2017 0.1549 0.4307 0.4116 0.2624 0.7473 0.7415 0.6824 0.4742 0.5957 0.2736 0.4496 0.6099 0.2173 0.4651 0.7262 0.2354 0.4014 0.7332 0.3300 0.4164 0.2346 0.2051 0.1077 0.2101 0.1622 0.4840 0.6463 0.0642 0.0266 0.4679 0.2071 0.6289 0.7151 0.2681 0.4252 0.3546 0.3698 0.1801 0.4344 0.7495 0.2293 0.5277 0.7055 0.5856 0.2773 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0.7851 0.1206 0.0518 0.6375 0.3431 0.7722 0.8339 0.4228 0.5967 0.5236 0.5399 0.3053 0.6057 0.8568 0.3730 0.6909 0.8273 0.7386 0.4342 0.6508 0.8537 0.8108 0.2533 0.8463 0.8048 0.8212 0.8462 0.7365 0.6416 0.7525 0.2564 0.8480 0.8571 0.8571 0.6870 0.5183 0.3850 0.0658 0.5226 0.0234 0.3485 0.8534 0.6800 0.8397 0.8220 0.0829 0.8485 0.2897 0.6338 0.7113 0.5738 0.8326 0.8183 0.2429 0.8567 0.3231 0.3592 0.8570 0.2938 0.2490 0.4477 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 7 6 8 7 6 6 6 6 6 6 6 6 6 7 1 6 1 6 1 6 6 6 6 6 6 9 17 1 1 1 1 1 1 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 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 10114.4083 26464.1446 33699.0144 0.99999 0.00335 0.00028 -0.00335 0.99995 0.00909 -0.00025 -0.00909 0.99996 1 0.00856 0.00327 0.00257 0.17843 0.06820 0.05355 20.97 27.57 35.53 54.71 60.23 83.44 103.52 108.65 127.49 158.39 175.03 187.47 234.59 253.92 262.29 264.99 273.70 328.80 365.90 383.75 393.12 463.25 478.60 487.75 504.47 523.29 551.94 579.83 593.34 639.71 655.35 672.28 698.26 733.82 749.08 767.65 780.59 786.56 799.69 804.95 812.11 842.62 855.14 867.63 888.81 925.68 947.80 995.97 1008.88 1020.28 1090.16 1107.52 1127.79 1156.81 1164.46 1187.36 1195.28 1255.87 1263.81 1266.85 1284.81 1310.83 1332.43 1347.80 1361.97 1381.38 1398.88 1409.24 1438.40 1458.10 1461.90 1497.75 1539.70 1553.40 1565.72 1584.35 1590.72 1599.86 1600.92 1636.31 1642.19 1658.95 1682.08 1690.41 1700.15 1705.26 1721.21 1725.00 1754.05 1785.35 1807.14 1827.40 1833.79 1855.89 1865.82 1871.05 1899.75 1909.48 1916.02 1949.61 1968.03 1991.59 2002.53 2010.49 2026.82 2039.03 2061.57 2080.92 2094.84 2107.01 2162.18 2181.49 2206.47 2222.12 2249.23 2260.96 2265.99 2281.68 2290.36 2313.66 2314.80 2336.45 2352.28 2355.68 2365.80 2370.54 2378.30 2381.50 2422.62 2450.07 2492.01 2532.99 2567.94 2573.01 2596.99 2620.68 2656.03 2776.86 4614.64 4623.19 4631.62 4632.08 4690.81 4720.67 4723.22 4738.61 4745.84 4754.05 4811.66 4831.76 4841.24 4852.59 4854.58 4875.38 4881.41 4894.96 4903.82 4905.61 4914.63 4915.67 5552.60 5562.32 0.484751 0.510603 0.511547 0.425473 -1795.008580 -1794.982728 -1794.981784 -1795.067858 2.886936D-04 MUNgauss RevisionA2.0 retrievium 15-Jan-2021 DUDE Cc1cccc(c1C)NC(=O)N2CCC3=c4cc(ccc4=[NH+][C@H]3[C@H]2c5ccc(cc5)F)Cl C63572398 RHF 6-31G(d) (6D,10F) C1 448.159194 |X|Y|Z| 115.646740 67.803643 30.802812 62.276701 27 6 7 24 3 |36.858105| |12.594009|36.858105| |7.602082|13.734498|36.858105| |5.022293|7.878867|13.760083|36.858105| |4.435563|6.846126|7.991302|13.818483|36.858105| |5.015596|7.943375|6.939449|7.962503|13.744470|36.858105| |7.508958|13.583665|7.904305|6.799581|7.856395|13.688450|36.858105| |6.485738|7.544820|5.018373|4.416619|4.991663|7.511636|12.602339|36.858105| |3.808043|5.105951|4.556251|5.173629|7.911177|13.256856|7.725479|6.494580|53.358707| |3.377409|4.230725|3.769806|4.129765|5.635066|7.791395|5.924846|5.744468|19.193890|36.858105| |3.511455|4.312835|3.809357|4.043155|5.172560|6.782646|5.787355|5.678686|11.487233|15.858736|73.516695| |2.749797|3.271061|2.985367|3.255250|4.199435|5.174844|4.250048|4.366279|11.163468|13.548163|14.912755|53.358707| |2.429520|2.888552|2.746090|3.087629|3.975087|4.479776|3.586724|3.507891|9.032245|7.700441|9.787023|17.834823|36.858105| |2.213695|2.619908|2.575622|2.951451|3.711754|3.870120|3.114641|2.949233|6.921107|5.924742|8.742271|10.441943|12.283247|36.858105| |2.076077|2.396929|2.328062|2.589710|3.132736|3.321487|2.812154|2.747854|5.667590|5.232329|8.598008|9.234335|7.683183|12.780585|36.858105| |1.819624|2.058846|2.015476|2.217114|2.591581|2.694533|2.350920|2.312186|4.370049|3.832060|6.569600|6.322945|5.139268|7.312947|14.011085|36.858105| |1.635371|1.838601|1.824968|2.014000|2.314097|2.348524|2.060487|2.008423|3.709705|3.083553|5.247183|4.902279|4.148100|5.707867|7.425427|13.229056|36.858105| |1.487997|1.648974|1.635295|1.781524|2.007190|2.037200|1.824581|1.793772|3.148180|2.595481|4.510142|4.029908|3.259822|4.098120|5.144764|7.993319|14.217097|36.858105| |1.468135|1.610267|1.582403|1.700615|1.901484|1.954384|1.779046|1.772799|2.999972|2.512635|4.470588|3.872149|2.978025|3.563474|4.647927|6.885625|7.839000|13.151487|36.858105| |1.581711|1.733866|1.685410|1.799758|2.023621|2.113737|1.932957|1.947183|3.270561|2.819100|5.107250|4.376531|3.228834|3.792454|5.297724|7.670119|6.608693|7.733907|14.094601|36.858105| |1.779562|1.980007|1.914472|2.061925|2.368934|2.503568|2.249426|2.261127|3.983662|3.561681|6.411877|5.729017|4.189650|5.110321|8.453929|13.233970|7.638606|6.828994|8.059832|13.416095|36.858105| |1.970700|2.194443|2.085276|2.223454|2.575476|2.798837|2.533811|2.591971|4.512554|4.254788|7.930050|6.886550|4.550565|5.139605|8.308682|8.440146|5.290227|4.662510|5.254213|7.708758|14.502815|53.358707| |1.951353|2.140236|2.016690|2.116081|2.413564|2.641352|2.452279|2.550892|4.163295|3.888048|7.506944|6.020473|3.845051|4.117946|5.841901|5.919254|4.232898|3.955778|4.641966|6.809504|9.278958|26.001885|0.500000| |2.245567|2.569678|2.429762|2.633351|3.166161|3.511770|3.062226|3.092871|5.993400|6.144588|11.037328|10.725300|6.574856|7.422355|12.774856|8.199455|5.079930|4.109254|4.150686|5.195824|8.378803|17.932253|0.244085|36.858105| |2.437228|2.823733|2.680876|2.919589|3.523354|3.887578|3.361978|3.314297|6.438993|6.808458|13.885365|9.798182|5.752995|6.577354|9.060765|6.398069|4.391265|3.641612|3.675507|4.481350|6.495365|12.491562|0.206494|17.509397|0.500000| |2.458462|2.807439|2.563793|2.724500|3.318795|3.926282|3.482015|3.715446|7.153224|7.895907|12.754491|17.737927|7.741838|6.323740|7.473698|5.336786|3.871230|3.250590|3.266237|3.903421|5.359417|10.020667|0.177648|12.209376|0.250299|36.858105| |2.651049|2.990050|2.670208|2.770878|3.321326|4.027182|3.730148|4.135207|6.994459|7.866341|15.025927|12.710809|5.705532|4.875854|5.595145|4.354888|3.293505|2.864966|2.947446|3.544879|4.625089|8.839531|0.176328|8.985998|0.233845|17.710106|0.500000| |2.167782|2.405305|2.197599|2.301585|2.722853|3.163100|2.908049|3.188157|5.507119|5.176079|8.333872|10.405402|6.151244|4.954192|5.708293|4.722871|3.639597|3.162850|3.221587|3.808268|4.895518|8.346349|0.156572|7.223075|0.152138|12.525427|0.251282|36.858105| |1.898310|2.097006|1.956084|2.067423|2.417708|2.708569|2.471772|2.635229|4.593699|4.037746|6.497053|7.688708|5.594076|4.870375|5.690076|5.173198|4.132696|3.604825|3.623134|4.168527|5.204821|7.784572|0.140625|6.030266|0.126214|7.371103|0.156446|13.702514|36.858105| |1.729574|1.877491|1.751068|1.829904|2.098717|2.333005|2.176849|2.343774|3.829630|3.214196|5.252459|5.650363|4.157268|3.671955|4.071023|3.934172|3.417361|3.141008|3.195814|3.551829|4.035615|5.776687|0.110941|4.223431|0.095497|4.950733|0.117476|7.872101|13.752879|36.858105| |1.753251|1.874714|1.725618|1.774765|2.015297|2.269655|2.171121|2.400341|3.669817|3.047219|5.042633|5.143660|3.582715|3.092483|3.344321|3.174182|2.776296|2.591034|2.673184|2.983247|3.322697|4.930274|0.099152|3.628134|0.085595|4.440762|0.112993|6.873265|8.013282|13.831976|36.858105| |1.953487|2.078392|1.878488|1.909529|2.173175|2.506622|2.439723|2.785626|4.066858|3.435036|5.735118|5.719261|3.693735|3.095799|3.327542|3.045493|2.600438|2.403350|2.491158|2.831950|3.221648|5.033676|0.103718|3.817800|0.091880|5.039461|0.135834|7.863265|6.877730|7.911554|13.812388|36.858105| |2.202732|2.384562|2.135871|2.182170|2.531023|2.986609|2.872545|3.307124|5.012561|4.495410|7.469654|7.855932|4.597228|3.723582|4.061617|3.531461|2.883883|2.598997|2.684426|3.123512|3.739407|6.213333|0.126876|5.003377|0.118230|7.666900|0.209512|13.670080|7.985228|6.889841|8.025598|13.786320|36.858105| |1.593170|1.683658|1.557571|1.593519|1.783858|1.984256|1.917801|2.111045|3.131122|2.530502|4.228421|4.100911|2.919127|2.583151|2.749752|2.672442|2.422484|2.311956|2.387144|2.600769|2.787698|4.018831|0.081653|2.912246|0.070671|3.395464|0.088589|4.654839|5.319821|8.190910|14.421861|8.179683|5.323336|97.533100| |1.332982|1.467229|1.467956|1.597161|1.771989|1.774062|1.600454|1.565690|2.689153|2.150228|3.721940|3.262280|2.654977|3.209824|3.634672|4.755679|7.101861|11.027120|7.012147|4.763204|4.220713|4.460490|0.081108|3.018359|0.076953|2.541215|0.063514|2.509255|2.836118|2.596261|2.196560|2.028447|2.141205|4.544747|448.794386| |17.554935|8.810879|5.847698|4.273375|3.962896|4.601097|6.734164|6.703553|4.988935|3.410213|6.531068|3.779575|2.403066|2.195616|2.098835|1.844536|1.645275|1.503613|1.497384|1.626351|1.828495|2.785314|0.056899|2.314787|0.070157|2.542015|0.077739|2.236304|1.938627|1.765513|1.800856|2.026279|2.296093|3.674088|10.754242|0.500000| |17.541743|8.807402|5.954787|4.313969|3.958036|4.542209|6.576183|6.392927|4.916177|3.172409|5.695465|3.608308|2.360664|2.118971|1.979738|1.740626|1.571381|1.432256|1.411640|1.516416|1.700420|2.553834|0.051592|2.129681|0.063147|2.365292|0.070362|2.128239|1.870679|1.721581|1.759688|1.964196|2.190255|3.618279|10.341353|0.302376|0.500000| |17.597792|8.866654|7.362498|4.798030|3.994508|4.191234|5.559335|4.756509|4.428790|2.919973|5.411351|3.301974|2.186377|2.030864|1.910307|1.693640|1.537142|1.406368|1.386560|1.484853|1.655848|2.470815|0.049955|2.044133|0.061629|2.193250|0.065114|1.946933|1.728322|1.582727|1.598054|1.761534|1.965892|3.290692|10.193134|0.302248|0.302449|0.500000| |7.099962|8.946726|17.716617|8.948344|5.676388|4.986352|5.633651|4.094571|4.933050|3.119417|5.660028|3.481780|2.381342|2.265041|2.073816|1.826114|1.671153|1.512316|1.467398|1.555240|1.744980|2.566518|0.050950|2.155622|0.065665|2.249678|0.065059|1.960023|1.763321|1.594729|1.575955|1.706579|1.915838|3.229178|11.000382|0.151761|0.156225|0.229109|0.500000| |4.101767|5.621552|8.907390|17.728023|8.925893|5.652807|4.914618|3.535772|5.709702|3.496237|6.104751|3.913209|2.806261|2.762782|2.428474|2.113400|1.951338|1.733853|1.645873|1.724159|1.955639|2.826339|0.054793|2.422785|0.074211|2.451072|0.068527|2.096387|1.915040|1.704966|1.644835|1.749561|1.977400|3.345495|12.620449|0.099010|0.100214|0.114310|0.215621|0.500000| |3.547701|4.938641|5.658945|8.906311|17.722496|8.945439|5.621693|4.083551|10.015711|5.496658|8.666740|5.890328|4.370480|4.252001|3.432566|2.816624|2.536870|2.168218|2.020242|2.129097|2.506565|3.644786|0.068537|3.322471|0.102025|3.378578|0.090978|2.764962|2.501338|2.154109|2.034026|2.159308|2.508037|4.044281|15.371556|0.090294|0.090170|0.090836|0.124379|0.213934|0.500000| |7.116194|6.972580|4.675314|3.960607|4.220933|5.702975|8.843292|17.594023|6.756928|4.384976|7.639143|4.889260|3.016646|2.563820|2.395927|2.056929|1.814652|1.636536|1.618721|1.764146|2.016829|3.102478|0.062649|2.651214|0.077671|3.137540|0.095425|2.809047|2.374186|2.160573|2.239699|2.586300|2.969509|4.509159|11.603642|0.198789|0.225333|0.141343|0.110694|0.090252|0.097603|0.500000| |6.077863|6.451008|4.511802|3.965065|4.368719|6.081461|8.858587|17.545075|7.466370|5.489566|10.767146|5.717368|3.298322|2.849626|2.746175|2.329345|2.005830|1.805052|1.806943|2.006476|2.325773|3.686908|0.075370|3.188244|0.096455|3.796131|0.122918|3.221126|2.628876|2.333670|2.402169|2.818241|3.378563|4.744004|12.574573|0.199058|0.156743|0.127480|0.105689|0.090308|0.101820|0.302166|0.500000| |4.785714|5.579954|4.178300|3.947444|4.701529|7.118092|8.809076|17.614783|10.285663|6.759553|10.786374|7.198110|4.093202|3.264552|3.014182|2.498650|2.150944|1.906243|1.878725|2.070113|2.430263|3.816904|0.076025|3.407610|0.098837|4.330648|0.132556|3.741685|3.021542|2.665791|2.742500|3.234226|3.924523|5.343972|13.262757|0.135028|0.134995|0.104892|0.096233|0.089958|0.112164|0.303316|0.302463|0.500000| |3.495718|4.494766|4.042261|4.520468|6.427884|9.125918|6.400272|5.844727|26.044175|9.455205|10.936576|10.530108|7.019524|4.931467|3.933281|3.078330|2.659731|2.258661|2.136189|2.304651|2.780086|4.210527|0.079117|4.016717|0.113879|4.920265|0.128907|4.063645|3.459287|2.924016|2.808546|3.089363|3.736880|5.404814|15.640041|0.092328|0.095520|0.083587|0.091674|0.105068|0.173841|0.132676|0.133077|0.201238|0.500000| |2.553240|3.093782|2.974125|3.414331|4.521204|5.019910|3.859567|3.645495|10.349775|7.170036|8.948632|12.394402|17.691549|8.854163|5.607990|4.127167|3.555707|2.861255|2.598478|2.757891|3.427222|4.969976|0.088524|4.914884|0.128542|5.629811|0.128248|4.736313|4.376623|3.514510|3.135211|3.242573|3.883029|5.931246|19.431256|0.068816|0.069318|0.063779|0.070987|0.085901|0.141620|0.087710|0.092001|0.117834|0.249792|0.500000| |2.207193|2.556334|2.418726|2.662796|3.297152|3.692858|3.111375|3.144077|6.936908|5.717233|7.871848|12.521806|17.635813|8.758336|6.739045|4.992398|4.150717|3.308353|3.022420|3.249445|4.131432|5.958746|0.103643|5.793285|0.133518|7.074304|0.144182|6.923108|6.993956|5.103760|4.208989|4.168635|5.033202|7.571197|21.750231|0.060844|0.060355|0.055420|0.059157|0.067934|0.098695|0.077062|0.082489|0.102461|0.155997|0.304856|0.500000| |2.367305|2.861640|2.872283|3.392979|4.371779|4.363957|3.383661|3.074719|7.572437|6.270700|9.490940|9.250898|8.810538|17.519906|9.055587|5.964323|4.892909|3.673122|3.237602|3.434343|4.478190|6.242417|0.105478|6.475135|0.184972|5.442429|0.126160|4.134217|3.907619|3.077143|2.686704|2.742139|3.284252|5.140739|23.793732|0.064837|0.062098|0.060551|0.069576|0.088560|0.145495|0.073577|0.082448|0.092314|0.141694|0.218818|0.173408|0.500000| |2.012551|2.355339|2.346134|2.690059|3.296561|3.337616|2.735691|2.587171|5.692048|4.528143|6.862309|7.589276|8.701720|17.590515|8.903724|6.788505|6.235890|4.344272|3.573663|3.612152|4.599537|5.879410|0.098343|5.485864|0.135921|4.828849|0.107840|4.207158|4.437443|3.507240|2.918230|2.835780|3.270005|5.601607|28.184454|0.055074|0.053911|0.051790|0.058052|0.071323|0.105822|0.063805|0.069011|0.078893|0.117045|0.208219|0.213967|0.302000|0.500000| |1.630676|1.844717|1.848392|2.062459|2.376439|2.375363|2.061295|1.984918|3.745912|3.025552|5.045464|4.765956|4.232338|5.978890|6.544474|8.697024|17.758382|9.036853|5.578461|4.816338|5.491942|5.831032|0.098039|4.422976|0.109517|3.559830|0.084269|3.338113|3.759586|3.164494|2.598484|2.436846|2.685173|5.151911|53.562278|0.045183|0.043613|0.042676|0.047009|0.055910|0.073504|0.049976|0.054435|0.059014|0.075408|0.103967|0.117169|0.143503|0.204244|0.500000| |1.361496|1.480802|1.457495|1.556881|1.720990|1.762837|1.620992|1.618685|2.670128|2.206481|3.942748|3.347028|2.554819|2.971989|3.683168|4.961834|5.651939|8.804326|17.739770|9.073988|5.688705|5.705527|0.108343|3.395778|0.085617|2.788528|0.071307|2.789309|3.113647|2.853318|2.439101|2.267619|2.396907|5.010006|54.686812|0.038595|0.036436|0.035879|0.037792|0.042028|0.050514|0.041374|0.045887|0.047390|0.052983|0.063065|0.072268|0.076269|0.083337|0.124100|0.500000| |1.538488|1.668202|1.613165|1.703307|1.895704|1.990636|1.849113|1.881278|3.042505|2.617103|4.819881|3.989722|2.860255|3.226141|4.296965|5.500718|4.816270|5.534621|8.980837|17.754610|8.738367|9.218300|0.192318|4.539040|0.112260|3.592163|0.094038|3.563668|3.800206|3.353242|2.910468|2.791051|3.039549|5.779333|31.621891|0.044229|0.040990|0.040174|0.041543|0.045263|0.054747|0.047574|0.054349|0.055272|0.059450|0.068742|0.080007|0.082653|0.084682|0.105243|0.216640|0.500000| |1.835836|2.046038|1.938937|2.078879|2.439105|2.671701|2.391979|2.480676|4.517864|3.936211|6.321676|7.433564|6.000010|5.779185|7.126541|6.780034|5.309343|4.423787|4.276498|4.817417|6.252880|8.454368|0.142090|6.520834|0.132486|6.714642|0.139618|8.859775|17.745491|9.030646|5.707793|4.957260|5.649687|9.672101|26.826180|0.051759|0.049956|0.046750|0.048607|0.053972|0.071411|0.061972|0.068450|0.077840|0.093873|0.127464|0.208843|0.122493|0.150599|0.131767|0.098781|0.115445|0.500000| |1.589368|1.721447|1.622829|1.702017|1.936564|2.115546|1.969788|2.090345|3.418108|2.806527|4.607697|4.793588|3.682314|3.392140|3.723294|3.766319|3.445924|3.239970|3.261746|3.489867|3.797947|5.136603|0.098126|3.672952|0.084559|4.026088|0.096759|5.605367|8.855452|17.745823|8.967397|5.648784|4.963182|16.743453|21.979127|0.044856|0.043966|0.040708|0.041307|0.044448|0.055601|0.053967|0.057606|0.065162|0.072613|0.088518|0.124637|0.079311|0.093353|0.089249|0.081951|0.090971|0.216424|0.500000| |1.929924|2.018586|1.812690|1.819110|2.042618|2.356296|2.344938|2.720573|3.727468|3.075781|5.213803|4.868438|3.147208|2.671725|2.828952|2.611442|2.270785|2.123586|2.206453|2.483556|2.764074|4.278767|0.089649|3.224027|0.080241|4.111402|0.115801|5.600797|4.957033|5.648076|8.954922|17.748049|8.865354|16.701677|14.649557|0.055864|0.054341|0.048357|0.046022|0.046295|0.055806|0.071526|0.076822|0.086899|0.078609|0.079065|0.096156|0.067190|0.068499|0.059536|0.056567|0.068867|0.107645|0.124645|0.500000| 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