Version2.2 2021-02-09T13:16:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 23-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](C(=O)NC1CCCCCC1)N2CCN(CC2)S(=O)(=O)c3ccc(cc3)OC C35268845 RHF 6-31G(d) (6D,7F) C[C@H](C(=O)NC1CCCCCC1)N2CCN(CC2)S(=O)(=O)c3ccc(cc3)OC C01[X(C21H33N3O4S1)] 180 C1 505 COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[C@@H](C(=O)NC1CCCCCC1)C COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[C@@H](C(=O)NC1CCCCCC1)C COc1ccc(cc1)[S](=O)(=O)N2CCN(CC2)[C@H](C)C(=O)NC3CCCCCC3 InChIKey=CYFJBALXCIEYLA-QGZVFWFLSA-N InChI=1S/C21H33N3O4S/c1-17(21(25)22-18-7-5-3-4-6-8-18)23-13-15-24(16-14-23)29(26,27)20-11-9-19(28-2)10-12-20/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,22,25)/t17-/m1/s1 InChI=1/C21H33N3O4S/c1-17(21(25)22-18-7-5-3-4-6-8-18)23-13-15-24(16-14-23)29(26,27)20-11-9-19(28-2)10-12-20/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,22,25)/t17-/m1/s1/f/h22H C[C@H](C(=O)NC1CCCCCC1)N2CCN(CC2)S(=O)(=O)c3ccc(cc3)OC C01[X(C21H33N3O4S1)] 180 C01 505 COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[C@@H](C(=O)NC1CCCCCC1)C CO[C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)N1CCN(CC1)[C@@H](C(=O)NC1CCCCCC1)C CO[C]1[CH][CH][C]([CH][CH]1)[S](=O)(=O)N2CCN(CC2)[C@H](C)C(=O)NC3CCCCCC3 InChIKey=CYFJBALXCIEYLA-QGZVFWFLSA-N InChI=1S/C21H33N3O4S/c1-17(21(25)22-18-7-5-3-4-6-8-18)23-13-15-24(16-14-23)29(26,27)20-11-9-19(28-2)10-12-20/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,22,25)/t17-/m1/s1 InChI=1/C21H33N3O4S/c1-17(21(25)22-18-7-5-3-4-6-8-18)23-13-15-24(16-14-23)29(26,27)20-11-9-19(28-2)10-12-20/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,22,25)/t17-/m1/s1/f/h22H 3055.2726873600 -1674.6804635 1-A 21301.3838 114 391 505 |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| -92.19600 -20.60748 -20.54127 -20.54062 -20.51980 -15.59161 -15.58455 -15.56104 -11.33958 -11.32318 -11.29587 -11.27200 -11.26614 -11.26438 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1464.7661 1466.9717 1485.9489 1486.4729 1507.8481 1509.9149 1515.2233 1529.7911 1535.6122 1540.1423 1544.6170 1547.9203 1549.8645 1562.6663 1564.2883 1567.6162 1572.1059 1585.4053 1630.3000 1632.4384 1633.6550 1634.5706 1639.3062 1639.7377 1643.1633 1648.2879 1651.0629 1651.5982 1653.5765 1657.1281 1658.6670 1661.7778 1663.8514 1686.4432 1705.0039 1768.9969 1802.5851 1933.2361 3159.1365 3164.2202 3185.3277 3185.9956 3187.8451 3190.5274 3194.4099 3196.5845 3205.3298 3211.6404 3215.1383 3215.8933 3217.1762 3222.1673 3225.5327 3230.6137 3236.1531 3243.7483 3244.2722 3261.1068 3276.8609 3280.6251 3281.2662 3306.5299 3324.7250 3330.8104 3332.3558 3337.1641 3395.9448 3402.6232 3414.4483 3418.1627 3884.2908 5.5004 4.9821 4.3098 3.8055 3.5880 3.6571 4.9179 3.9921 3.4057 3.6855 4.4537 2.1006 4.4935 5.5856 3.2448 3.9745 3.5344 3.1513 1.7629 1.8124 2.2187 1.9014 2.0729 2.1822 2.4757 5.4295 2.6681 3.4038 3.2481 3.1825 4.3994 3.6695 3.9129 3.7631 1.6160 2.9269 2.3579 2.5441 2.7127 3.1491 3.0142 3.9705 3.4022 2.4035 2.7760 7.3085 3.4024 3.3405 6.8940 5.0429 3.1089 2.0280 3.5594 4.6736 1.5109 2.6108 4.8048 5.8038 2.7271 1.7496 1.2689 1.5232 1.7063 1.6333 2.9512 2.1000 2.9953 2.1898 2.1008 2.4880 2.2505 1.3318 3.1066 1.3344 1.6865 1.8926 1.4987 2.3325 1.9064 3.2947 3.2804 1.7019 2.2230 2.5710 1.7705 2.4575 2.0810 2.3895 2.5493 4.1607 2.7597 2.4712 1.2843 2.6513 1.3506 1.5982 1.5092 1.9341 1.7421 1.2877 1.0698 2.5596 1.1799 1.3312 1.2114 1.1317 3.8422 1.3677 1.4267 1.2747 8.1960 1.2378 1.2566 1.3679 1.4101 1.3263 1.4219 1.4077 1.4194 1.4454 1.4026 1.4485 1.3475 1.4739 1.4244 2.8025 1.6015 1.2114 1.0887 1.0488 1.0794 1.0981 1.0800 1.1036 1.0989 1.0798 1.0474 1.0846 1.0843 1.0565 1.0993 1.1043 2.3087 1.9588 6.2801 5.1899 8.6993 1.0702 1.0712 1.0688 1.0715 1.0666 1.0723 1.0704 1.0645 1.0720 1.0737 1.0341 1.0952 1.0668 1.0559 1.0932 1.1014 1.0940 1.1039 1.0936 1.0912 1.0898 1.1008 1.1079 1.0980 1.0993 1.0935 1.0944 1.1025 1.0905 1.0898 1.0958 1.0952 1.0785 0.0003 0.0005 0.0010 0.0020 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19.1559 6.2929 6.3189 6.3892 6.4082 6.3860 6.4311 6.4357 6.4085 6.4893 6.5251 6.2978 6.6736 6.5058 6.4591 6.7012 6.7725 6.7502 6.8431 6.7817 6.8374 6.8949 6.9800 7.0282 7.0728 7.1594 7.1475 7.1604 7.2341 7.4097 7.4341 7.5268 7.5393 9.5871 1.0058 0.3235 0.0867 0.0731 1.4272 0.6527 3.6738 0.4701 0.8498 0.1092 12.3316 2.1174 1.7418 1.0454 1.9013 2.3450 1.6024 5.4265 0.1628 0.5459 6.6444 1.2681 0.4964 6.9725 5.4520 0.5876 7.0818 14.6534 1.1779 14.9081 1.5381 1.6556 3.6235 8.6787 71.8592 2.6304 2.8427 2.4009 13.2455 3.4957 0.1202 15.4656 6.1360 1.5644 7.4698 151.6159 45.9793 56.3219 8.1989 22.1576 5.2942 1.0830 28.8219 188.4070 1.2493 32.8942 10.1317 63.8884 6.1567 4.5057 5.5514 0.8669 0.5480 50.8216 0.6479 3.3890 109.6977 9.0878 1.7863 83.9508 0.7275 0.2306 2.7666 0.1624 2.8535 14.2965 4.1432 5.9451 20.7546 27.8826 13.4715 1.9123 10.4675 98.5338 26.8104 4.6354 9.8574 11.0144 159.7474 254.4767 53.1943 12.1748 2.1083 41.1187 20.0906 40.2393 6.9178 165.2803 20.0250 2.5403 1.8376 13.4942 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12.00000 15.99491 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 5136.6246 34459.7729 36032.6881 0.99997 0.00774 -0.00024 -0.00773 0.99980 0.01833 0.00038 -0.01833 0.99983 1 0.01686 0.00251 0.00240 0.35135 0.05237 0.05009 12.99 18.98 28.07 42.45 61.15 87.32 91.45 102.61 112.77 134.68 190.27 197.40 214.83 237.33 249.00 267.39 282.74 316.32 361.91 372.75 389.65 395.03 407.87 429.94 435.28 447.49 462.28 469.99 502.46 518.31 576.60 591.76 604.53 607.23 657.62 669.91 674.87 682.71 727.12 741.97 760.10 788.98 794.68 812.57 855.08 883.69 925.03 981.26 995.14 1036.76 1098.81 1136.80 1145.60 1169.56 1181.36 1220.30 1270.63 1277.69 1300.13 1307.71 1334.29 1361.55 1364.77 1365.66 1421.91 1449.69 1487.45 1502.58 1509.36 1533.65 1563.63 1571.55 1589.71 1600.23 1605.12 1629.76 1642.57 1653.79 1677.24 1686.95 1690.17 1707.91 1712.95 1737.37 1749.53 1752.69 1759.09 1788.81 1801.02 1828.28 1842.87 1860.28 1861.41 1869.24 1879.48 1892.99 1905.31 1922.94 1926.81 1944.06 1945.86 1966.54 2002.05 2044.38 2050.97 2065.90 2073.80 2089.97 2100.05 2107.47 2110.65 2137.95 2138.70 2169.46 2172.43 2180.07 2201.03 2209.40 2215.92 2222.36 2227.11 2229.91 2248.33 2250.66 2255.45 2261.91 2281.04 2345.64 2348.71 2350.47 2351.78 2358.60 2359.22 2364.15 2371.52 2375.51 2376.28 2379.13 2384.24 2386.45 2390.93 2393.91 2426.42 2453.12 2545.19 2593.52 2781.50 4545.29 4552.61 4582.98 4583.94 4586.60 4590.46 4596.04 4599.17 4611.75 4620.83 4625.87 4626.95 4628.80 4635.98 4640.82 4648.13 4656.10 4667.03 4667.78 4692.01 4714.67 4720.09 4721.01 4757.36 4783.54 4792.29 4794.52 4801.43 4886.01 4895.62 4912.63 4917.97 5588.63 0.576743 0.603832 0.604776 0.515241 -1674.103720 -1674.076631 -1674.075687 -1674.165223 3.003052D-04 MUNgauss RevisionA2.1 retrievium 09-Feb-2021 DUDE C[C@H](C(=O)NC1CCCCCC1)N2CCN(CC2)S(=O)(=O)c3ccc(cc3)OC C35268845 RHF 6-31G(d) (6D,10F) C1 423.219179 |X|Y|Z| 44.911399 34.364436 134.548921 59.217310 23 6 7 16 19 3 1 |36.858105| |12.468969|36.858105| |8.978277|17.547178|0.500000| |7.616936|12.397219|0.246309|36.858105| |6.535359|7.963234|0.163252|15.813218|73.516695| |5.379146|7.774080|0.212254|14.126594|15.099864|53.358707| |3.961844|4.960775|0.133929|7.707411|12.053295|17.760511|36.858105| |3.362022|3.975888|0.115005|5.216047|8.118327|10.734934|12.439089|36.858105| |2.684532|3.045623|0.086403|3.812175|6.393203|6.761410|7.307430|12.422040|36.858105| |2.378335|2.738164|0.077487|3.340263|5.651238|5.734990|5.833998|7.399790|12.409892|36.858105| |2.334219|2.694445|0.074018|3.339087|5.891871|5.462714|5.585983|5.607536|7.314027|12.391636|36.858105| |2.715421|3.193276|0.084924|4.196823|7.693390|6.760268|7.416161|5.892677|6.300042|7.288366|12.400706|36.858105| |3.321268|4.179356|0.111175|5.882952|10.018504|10.505605|12.399632|7.338543|6.078771|6.246221|7.300261|12.411136|36.858105| |7.686314|13.064169|0.259787|7.611603|10.991461|7.611142|4.051621|3.283178|2.641452|2.481959|2.506586|2.963988|3.807795|53.358707| |5.042198|7.802786|0.207954|6.150289|8.856745|7.361906|4.059133|3.338166|2.701378|2.625639|2.656459|3.100930|4.073450|17.869622|36.858105| |3.921130|5.073724|0.136677|4.196652|6.625699|5.152302|3.101931|2.656357|2.249095|2.231044|2.281188|2.600536|3.211206|10.630075|12.519174|36.858105| |3.695676|4.482654|0.112694|3.907199|6.621974|4.620501|2.884960|2.431817|2.102492|2.090157|2.188339|2.533901|3.040053|9.204980|7.846689|13.046942|53.358707| |4.427006|5.039743|0.118667|4.225329|7.429009|4.688881|2.891177|2.414691|2.078450|2.020171|2.109239|2.468383|2.936637|10.650341|6.681502|7.791184|17.719804|36.858105| |6.222783|7.655219|0.157335|6.232267|11.039901|6.189144|3.627132|2.900911|2.425492|2.306129|2.401655|2.890196|3.564263|17.798951|7.976057|6.660188|10.659602|12.519594|36.858105| |2.823077|3.233492|0.083994|2.941954|5.101965|3.621575|2.365267|2.050699|1.824860|1.843044|1.941623|2.198758|2.531079|5.823842|4.834345|7.157399|15.782158|7.140105|4.828708|388.023441| |2.653198|2.943721|0.074863|2.762761|4.975288|3.362526|2.243969|1.934743|1.744417|1.759922|1.879505|2.144954|2.411899|5.097488|3.934197|4.996977|10.516031|6.535690|4.548903|94.738913|73.516695| |2.531723|2.953699|0.078998|2.756493|4.708700|3.527207|2.341137|2.055906|1.844210|1.897206|2.000414|2.231447|2.560412|5.101235|4.556139|6.565004|10.520838|4.990410|3.931321|94.669583|13.586167|73.516695| |2.633563|2.887354|0.076780|2.541777|4.362568|3.147365|2.046728|1.820945|1.625051|1.625013|1.680919|1.866845|2.125223|5.030751|3.962416|5.655730|9.414152|5.652374|3.958683|76.632761|13.116456|13.115331|36.858105| |2.562797|2.696251|0.070850|2.372627|4.142139|2.902448|1.897266|1.692854|1.518393|1.505180|1.556318|1.729053|1.944544|4.575629|3.371779|4.370702|7.307911|5.262176|3.721188|49.325388|11.472031|8.825288|13.661641|36.858105| |2.335780|2.404095|0.064244|2.109514|3.663189|2.609742|1.712631|1.552450|1.398861|1.382248|1.416489|1.555267|1.735811|3.935030|2.874973|3.571883|5.459128|4.011551|3.081705|33.652705|7.859182|6.833228|7.945356|13.864706|36.858105| |2.197146|2.283210|0.062380|1.999593|3.421807|2.516710|1.651915|1.515990|1.367079|1.355130|1.377701|1.496528|1.671852|3.686462|2.767548|3.451131|4.921970|3.450862|2.765245|29.829658|6.571166|6.574515|6.868151|7.932675|13.644602|36.858105| |2.237450|2.391360|0.066184|2.094549|3.538274|2.667473|1.745592|1.603982|1.441865|1.439188|1.460579|1.581701|1.780496|3.903928|3.060148|3.976340|5.423944|3.547215|2.853518|33.595737|6.835814|7.867634|7.922844|6.853343|7.903465|13.722014|36.858105| |2.438039|2.682848|0.073584|2.355198|3.970631|2.986696|1.944892|1.762161|1.575358|1.581094|1.617130|1.767854|2.010844|4.537449|3.691489|5.204709|7.260814|4.341982|3.347322|49.512886|8.878524|11.555115|13.780713|7.929585|6.880346|7.943830|13.734898|36.858105| |1.992640|2.035007|0.055967|1.793218|3.074646|2.271930|1.501328|1.392533|1.263069|1.248696|1.263317|1.361961|1.508757|3.192585|2.366765|2.826741|3.956458|2.842987|2.374291|23.045725|5.264280|5.233551|4.634044|5.313660|8.224973|14.215957|7.891517|5.212910|73.516695| |1.840175|1.888532|0.052686|1.673048|2.848329|2.149317|1.426207|1.337489|1.217257|1.206560|1.213335|1.295828|1.431808|2.915014|2.192354|2.581770|3.496140|2.468506|2.121865|20.048441|4.526417|4.755332|3.795983|3.989014|5.258746|8.013437|6.729288|4.518391|24.149866|36.858105| |17.625399|8.763135|0.174325|7.022901|12.779705|6.573551|3.788608|3.148453|2.581546|2.298387|2.301699|2.716822|3.248430|9.080560|4.484867|3.634755|4.945692|4.544774|6.561317|19.978166|4.840889|4.411771|2.591833|2.566609|2.321386|2.145078|2.156500|2.352349|3.459284|1.780831|0.500000| |17.578083|8.862303|0.212985|5.530657|8.652706|5.858500|3.300218|2.897698|2.368038|2.134066|2.090805|2.386190|2.867447|9.782261|4.830941|3.996335|5.080961|4.525837|5.812332|20.475356|4.756383|4.539046|2.786598|2.743953|2.534629|2.389025|2.412514|2.594413|3.861465|1.997873|0.299486|0.500000| |17.548375|8.842051|0.220180|6.871903|10.443792|7.329738|4.047987|3.577793|2.831016|2.442048|2.348393|2.691138|3.247863|7.627048|4.185233|3.313395|4.207593|3.544097|4.658191|17.423406|4.111772|3.992814|2.304892|2.244223|2.077189|1.977772|2.015750|2.169881|3.231900|1.698986|0.302936|0.300383|0.500000| |5.095747|7.463053|0.244140|9.420586|10.881741|26.083766|8.998924|7.454408|4.700849|4.073547|3.720683|4.302052|6.337025|7.490635|5.672329|3.927403|4.572890|3.323516|4.216273|18.809858|4.275132|4.644567|2.333551|2.131760|1.930982|1.886007|2.018236|2.253887|3.030220|1.624838|0.121126|0.118674|0.143294|0.500000| |4.004461|4.684401|0.120750|7.399212|13.623420|12.696120|17.604797|8.898228|6.553209|5.065669|5.107933|7.016290|8.948905|5.175728|3.621170|2.843723|3.712675|2.813789|3.561941|16.029394|3.877585|3.904048|1.960353|1.843755|1.666783|1.594497|1.666195|1.845329|2.586187|1.375815|0.110807|0.091203|0.115084|0.182504|0.500000| |3.578696|4.050712|0.118428|5.157029|7.994490|9.914122|8.956286|17.531264|8.861436|5.464868|4.355759|4.594388|5.450644|4.389827|3.162313|2.529294|3.156589|2.346859|2.831778|13.897729|3.285614|3.442104|1.762856|1.654656|1.528268|1.492074|1.568042|1.707150|2.449903|1.323902|0.092160|0.085052|0.110380|0.194522|0.220368|0.500000| |3.243602|3.930883|0.118955|4.822585|7.210729|9.947498|8.859977|17.466710|8.908437|6.961412|5.105628|5.080407|6.543277|4.508558|3.500421|2.781113|3.376431|2.413223|2.850585|14.898395|3.459436|3.784745|1.867669|1.719098|1.580105|1.557010|1.662692|1.828862|2.539943|1.380168|0.082557|0.079367|0.094803|0.226303|0.174581|0.303599|0.500000| |2.642209|2.924242|0.080923|3.706179|6.507293|6.218291|6.721963|8.792152|17.511216|8.772060|6.950440|6.446065|5.637956|3.453110|2.538277|2.131507|2.762925|2.034864|2.383410|12.573167|3.043520|3.146480|1.574038|1.483064|1.365765|1.326385|1.388908|1.514312|2.182249|1.178477|0.072028|0.064368|0.077564|0.115051|0.194623|0.208745|0.173665|0.500000| |2.494666|2.770150|0.079914|3.320919|5.524529|5.716666|5.457717|8.973003|17.536699|8.889368|5.479349|4.657223|4.577132|3.272945|2.451076|2.069401|2.620263|1.905466|2.196086|11.986716|2.858027|3.031147|1.522349|1.427311|1.325746|1.302394|1.371978|1.486744|2.152047|1.172491|0.066150|0.061935|0.074026|0.115101|0.139743|0.224409|0.213819|0.304866|0.500000| |2.111712|2.380299|0.067531|2.819379|4.816293|4.662579|4.425289|5.519402|8.853129|17.535647|8.911219|5.462411|4.629784|2.963756|2.292452|1.989080|2.548652|1.812059|2.038178|11.917737|2.856079|3.073334|1.492858|1.388851|1.283638|1.262252|1.337586|1.459196|2.079250|1.134548|0.056859|0.053242|0.060448|0.093259|0.112111|0.125319|0.148275|0.200554|0.228580|0.500000| |2.412253|2.832411|0.081748|3.382437|5.547171|5.927843|5.656540|7.187766|8.898960|17.515900|8.816334|6.203067|6.188377|3.526225|2.813352|2.382937|2.981810|2.084235|2.363105|13.711176|3.228718|3.569996|1.699473|1.559596|1.431971|1.412696|1.512557|1.666988|2.308617|1.259280|0.063842|0.060594|0.068371|0.122451|0.128395|0.146121|0.223406|0.174235|0.204518|0.305684|0.500000| |2.141499|2.410278|0.065777|2.944163|5.316281|4.641738|4.563903|4.631366|6.247068|8.846557|17.523378|8.917628|5.457979|3.058353|2.341080|2.043752|2.703797|1.934674|2.185577|12.686233|3.105301|3.248271|1.556634|1.453890|1.328921|1.289894|1.358918|1.494974|2.112887|1.141523|0.059276|0.053520|0.060115|0.087605|0.124146|0.106460|0.115244|0.184965|0.139091|0.227838|0.175810|0.500000| |2.180091|2.530734|0.069909|3.045348|5.325746|4.892749|4.634613|4.590492|5.469201|8.905948|17.523769|8.846294|6.272180|3.286317|2.617639|2.288738|2.983636|2.074998|2.317965|14.021294|3.380221|3.670627|1.698694|1.561321|1.419391|1.385853|1.477956|1.642083|2.255285|1.221674|0.059531|0.054929|0.060284|0.095006|0.115616|0.101911|0.124520|0.139945|0.124049|0.207101|0.226846|0.305062|0.500000| |2.765717|3.154549|0.082674|4.209974|8.090581|6.537201|7.229858|5.738695|6.282965|6.238400|8.819862|17.521229|8.898478|3.903730|2.890888|2.430569|3.263825|2.396084|2.836408|14.788412|3.649659|3.688630|1.784555|1.673842|1.511186|1.446810|1.515130|1.681295|2.351009|1.254950|0.078130|0.066852|0.077027|0.112482|0.226098|0.131436|0.129193|0.204480|0.129866|0.138013|0.141467|0.226209|0.175502|0.500000| |2.537608|2.965964|0.077977|3.775321|7.091619|5.718208|5.537128|4.456850|4.657962|5.455428|8.922273|17.546055|8.870210|3.885962|3.013265|2.593921|3.516194|2.494100|2.865546|16.192542|3.999835|4.129812|1.905969|1.762577|1.575761|1.509825|1.595666|1.792986|2.435169|1.299538|0.071360|0.062667|0.068718|0.102745|0.149640|0.101968|0.112217|0.132870|0.102903|0.124168|0.136999|0.208759|0.226925|0.306191|0.500000| |3.107277|3.970804|0.110075|5.128822|8.231033|9.308602|8.788678|6.750743|5.636340|6.382749|6.939630|8.749961|17.492841|5.076758|4.244061|3.366211|4.201958|2.879806|3.390197|18.422968|4.297045|4.781997|2.174358|1.960737|1.753052|1.706138|1.839127|2.086363|2.731611|1.467407|0.082594|0.076274|0.084084|0.177782|0.174263|0.138736|0.194640|0.135342|0.123280|0.131690|0.200470|0.139786|0.185955|0.174132|0.199529|0.500000| |3.567961|4.580731|0.116023|6.586973|11.949607|10.062627|8.992039|5.474767|4.583113|4.632727|5.480625|8.896251|17.578211|5.921521|4.630570|3.611954|4.789598|3.409943|4.237964|20.382969|4.897724|5.084793|2.342581|2.138081|1.881342|1.792616|1.905861|2.177847|2.851275|1.508500|0.098958|0.085128|0.093675|0.163603|0.215222|0.124858|0.139487|0.123570|0.101989|0.102518|0.128354|0.124153|0.139639|0.204445|0.229395|0.303517|0.500000| |4.441129|6.691363|0.172794|6.499260|9.606987|8.160724|4.659382|3.661775|2.967406|2.942061|3.048659|3.660585|5.022234|12.209950|17.454764|8.901076|9.534809|5.816776|7.099964|32.920963|6.951313|8.105746|3.590136|3.066920|2.606711|2.498130|2.752304|3.320220|3.826480|2.002399|0.114459|0.113168|0.105982|0.167031|0.112822|0.093076|0.106105|0.077244|0.073237|0.070248|0.087842|0.073428|0.083950|0.092457|0.099766|0.147479|0.166646|0.500000| |4.830756|7.360932|0.238793|5.712982|7.873869|7.534506|4.073762|3.510072|2.793178|2.700313|2.649668|3.004653|3.952299|12.486284|17.554209|8.961834|7.727910|4.983777|5.725081|28.499053|5.847137|7.030777|3.508416|3.008796|2.654513|2.626434|2.932288|3.439723|4.058169|2.155824|0.114094|0.130561|0.116776|0.177712|0.098334|0.092902|0.105964|0.071537|0.071295|0.065580|0.081846|0.064508|0.072564|0.077435|0.079510|0.118071|0.117930|0.300666|0.500000| |3.288262|4.175523|0.116249|3.682048|5.854313|4.762680|2.967217|2.585542|2.220770|2.249917|2.305540|2.586772|3.163416|7.696588|8.889247|17.659529|12.487183|5.668311|5.002125|49.356752|8.417404|13.990433|5.362546|3.999817|3.326722|3.312698|3.960862|5.298795|4.845975|2.540513|0.085172|0.091985|0.079926|0.102109|0.074638|0.067461|0.076272|0.057995|0.056855|0.055912|0.067556|0.057132|0.065337|0.066101|0.072243|0.094867|0.097397|0.219355|0.213155|0.500000| |3.917600|4.795192|0.133851|3.775493|5.942305|4.646339|2.793726|2.457451|2.086954|2.048979|2.064032|2.314320|2.806971|9.544113|8.892102|17.497347|12.299448|6.921877|5.776225|43.994245|7.891789|9.833486|5.989648|4.687153|3.960791|3.927512|4.585814|5.861906|5.665202|2.906397|0.098949|0.116656|0.092170|0.099954|0.071799|0.066163|0.071652|0.054986|0.054056|0.051233|0.060674|0.051806|0.057272|0.060783|0.063571|0.081284|0.085555|0.174385|0.219641|0.299439|0.500000| |3.811002|4.140471|0.098190|3.712266|6.848766|4.174500|2.669614|2.234933|1.960446|1.915822|2.026532|2.376223|2.750506|7.704417|5.012055|5.671941|12.484608|17.659784|8.902515|49.269240|13.909388|8.403170|5.366135|5.353151|3.992892|3.314924|3.313408|3.990207|4.893036|2.366149|0.113145|0.106586|0.087193|0.080986|0.073420|0.060259|0.061404|0.053873|0.049899|0.048012|0.054390|0.052164|0.055455|0.064573|0.067671|0.074086|0.089069|0.131325|0.109703|0.127800|0.141762|0.500000| |4.463299|4.764347|0.115866|3.797578|6.544785|4.276854|2.626979|2.250670|1.939978|1.872081|1.926064|2.213643|2.606482|9.560665|5.798061|6.926618|12.294751|17.499043|8.872013|43.931449|9.793473|7.890904|5.988588|5.960044|4.643934|3.928151|3.926958|4.647811|5.710630|2.738109|0.124617|0.135583|0.099088|0.085853|0.071127|0.061615|0.062806|0.052676|0.049984|0.047001|0.053720|0.049325|0.052550|0.060033|0.061517|0.071411|0.081769|0.133263|0.129959|0.141754|0.202675|0.299371|0.500000| |7.158196|7.142873|0.144965|5.832551|11.028639|5.692693|3.396435|2.757569|2.324127|2.174805|2.252889|2.694569|3.230879|12.435919|5.727079|4.970885|7.721591|8.962255|17.633911|28.479996|7.023734|5.845977|3.503889|3.467045|2.951248|2.621700|2.633309|2.987022|4.076730|2.042090|0.240009|0.185448|0.143227|0.106472|0.095794|0.076400|0.074102|0.064290|0.058878|0.053798|0.061140|0.057710|0.059788|0.075203|0.073740|0.083848|0.104290|0.144093|0.127717|0.109541|0.129382|0.213729|0.218454|0.500000| |5.240484|6.602813|0.139285|6.606126|12.852820|6.586577|4.010418|3.083554|2.597247|2.493971|2.663463|3.310962|4.114354|12.221904|7.117053|5.818690|9.534532|8.893845|17.529597|32.906860|8.094007|6.950330|3.589661|3.339903|2.767914|2.497672|2.593250|3.053279|3.838847|1.946420|0.157825|0.129219|0.116308|0.119446|0.110385|0.081900|0.082961|0.071421|0.064255|0.060694|0.070447|0.067079|0.071293|0.090021|0.092670|0.106053|0.143795|0.210792|0.144173|0.131418|0.133212|0.218945|0.174172|0.302586|0.500000| |2.613821|2.717429|0.070018|2.422079|4.311032|2.924819|1.922374|1.700038|1.528746|1.511734|1.574770|1.764343|1.973485|4.594243|3.286421|4.087621|7.238797|5.669522|3.934243|47.056988|13.103393|8.136500|8.896076|17.752907|8.961169|5.643705|4.944976|5.647704|7.626249|3.332840|0.074292|0.076976|0.063261|0.058886|0.052404|0.046180|0.047518|0.041759|0.039772|0.038708|0.043212|0.041017|0.043721|0.047738|0.050192|0.054655|0.060789|0.084443|0.080119|0.102379|0.116839|0.176255|0.172924|0.103756|0.099024|0.500000| |2.226956|2.243544|0.059693|1.981923|3.473979|2.446130|1.614867|1.468311|1.329169|1.308297|1.340621|1.470224|1.627657|3.594396|2.568577|3.066206|4.679672|3.586217|2.841830|27.737047|6.851655|5.724897|5.636318|8.911482|17.745999|8.945701|5.648411|4.958454|13.527665|4.878043|0.062104|0.067217|0.055345|0.050020|0.043996|0.040343|0.041287|0.036221|0.035073|0.033855|0.037453|0.035122|0.037188|0.039943|0.041352|0.045353|0.048873|0.065241|0.066164|0.079073|0.093124|0.101555|0.114955|0.077561|0.071260|0.214308|0.500000| |2.086665|2.232368|0.062707|1.966454|3.301204|2.540083|1.669829|1.552221|1.400117|1.401031|1.412940|1.515203|1.700188|3.566331|2.825652|3.566142|4.667399|3.049912|2.551198|27.862026|5.752555|6.918765|5.656808|4.946241|5.618243|8.860199|17.771281|8.959852|12.498163|7.449756|0.055445|0.062340|0.052865|0.053807|0.044100|0.042172|0.044959|0.037325|0.037194|0.036313|0.041054|0.036523|0.039820|0.040231|0.042327|0.049094|0.050053|0.071018|0.077107|0.101239|0.113741|0.078874|0.092368|0.065623|0.064993|0.107467|0.124003|0.500000| |2.392388|2.692865|0.074899|2.389042|3.985631|3.082617|2.012594|1.830604|1.636448|1.656587|1.691740|1.839086|2.101245|4.525381|3.869083|5.543773|7.152602|4.043355|3.246923|47.281448|8.201451|13.309364|8.944178|5.645134|4.958919|5.653198|8.931150|17.752422|7.463360|3.910803|0.063545|0.069851|0.059582|0.065210|0.052477|0.048899|0.053264|0.043398|0.042875|0.042425|0.048915|0.043204|0.048060|0.048126|0.051826|0.061414|0.062920|0.097827|0.101937|0.172256|0.167678|0.101857|0.115357|0.079227|0.083752|0.124254|0.107672|0.216833|0.500000| |1.738668|1.803688|0.050353|1.615680|2.753822|2.089661|1.395809|1.310444|1.198126|1.195444|1.205327|1.283060|1.412714|2.784089|2.126445|2.516594|3.412050|2.359943|2.030413|20.036216|4.515381|4.877172|3.746954|3.800784|4.771207|7.041529|6.730652|4.583324|16.436092|17.571372|0.046808|0.051875|0.044698|0.043884|0.037312|0.035859|0.037637|0.032182|0.032040|0.031275|0.034718|0.031502|0.033869|0.034391|0.035871|0.040384|0.041311|0.054527|0.058072|0.070143|0.077419|0.063179|0.071291|0.053842|0.052325|0.088416|0.120382|0.223672|0.113098|0.500000| |1.934712|1.991189|0.056147|1.746196|2.944278|2.250906|1.483442|1.396474|1.264453|1.250211|1.249653|1.332294|1.481062|3.067382|2.317136|2.724829|3.586390|2.520874|2.188875|20.020750|4.427455|4.786974|3.739786|3.787006|4.750866|7.025423|6.730127|4.577603|16.433566|17.568590|0.051445|0.058741|0.049693|0.047620|0.039577|0.038471|0.040219|0.033875|0.033898|0.032617|0.036375|0.032558|0.034917|0.035786|0.036935|0.042314|0.043192|0.058169|0.064134|0.074416|0.086941|0.065916|0.078174|0.058322|0.055397|0.087970|0.119689|0.223982|0.112817|0.298705|0.500000| 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