Version2.1 2021-01-06T23:13:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)NC(=O)c1c2c(sc1NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)C[C@@H](CC2)C C09298232 RHF 6-31G(d) (6D,7F) CCOC(=O)NC(=O)c1c2c(sc1NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)C[C@@H](CC2)C C01[X(C22H27N3O6S2)] 174 C1 557 CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C)sc2c1CC[C@H](C2)C CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C)sc2c1CC[C@H](C2)C CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)[S](=O)(=O)N(C)C)sc3C[C@H](C)CCc13 InChIKey=XLJYQIOOEQHQHM-CYBMUJFWSA-N InChI=1S/C22H27N3O6S2/c1-5-31-22(28)24-20(27)18-16-11-6-13(2)12-17(16)32-21(18)23-19(26)14-7-9-15(10-8-14)33(29,30)25(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,23,26)(H,24,27,28)/t13-/m1/s1 InChI=1/C22H27N3O6S2/c1-5-31-22(28)24-20(27)18-16-11-6-13(2)12-17(16)32-21(18)23-19(26)14-7-9-15(10-8-14)33(29,30)25(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,23,26)(H,24,27,28)/t13-/m1/s1/f/h23-24H CCOC(=O)NC(=O)c1c2c(sc1NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)C[C@@H](CC2)C C01[X(C22H27N3O6S2)] 174 C01 557 CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C)sc2c1CC[C@H](C2)C CCOC(=O)NC(=O)[C]1[C](SC2=[C]1CC[C@H](C2)C)NC(=O)[C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)N(C)C CCOC(=O)NC(=O)[C]1[C](NC(=O)[C]2[CH][CH][C]([CH][CH]2)[S](=O)(=O)N(C)C)SC3=C1CC[C@@H](C)C3 InChIKey=XLJYQIOOEQHQHM-CYBMUJFWSA-N InChI=1S/C22H27N3O6S2/c1-5-31-22(28)24-20(27)18-16-11-6-13(2)12-17(16)32-21(18)23-19(26)14-7-9-15(10-8-14)33(29,30)25(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,23,26)(H,24,27,28)/t13-/m1/s1 InChI=1/C22H27N3O6S2/c1-5-31-22(28)24-20(27)18-16-11-6-13(2)12-17(16)32-21(18)23-19(26)14-7-9-15(10-8-14)33(29,30)25(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,23,26)(H,24,27,28)/t13-/m1/s1/f/h23-24H 3703.2819981316 -2256.3622247 1-A 27202.0893 130 427 557 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0.0773 0.0501 0.0977 0.1584 0.2222 0.0630 0.1789 0.2316 0.2469 0.2777 0.3299 0.3473 0.4473 0.3733 0.5401 0.6490 0.5509 0.6228 0.3597 0.4616 0.3582 0.8366 0.6631 1.1100 1.1833 1.1556 0.8621 0.8341 1.3996 0.3209 1.3577 1.6700 1.9453 1.3621 2.0383 1.4070 0.5628 1.2450 2.8650 2.7565 1.8199 1.7087 1.0036 0.8138 1.2533 2.2135 1.5071 0.7221 0.9431 0.9047 2.0748 1.7239 1.2173 0.8943 1.7949 2.0989 2.6311 3.1505 1.3689 1.5571 1.6666 1.0252 1.2199 4.4064 1.8663 2.3803 4.0129 3.0718 1.6117 1.0898 2.0625 3.0440 1.3981 5.1507 1.3360 1.4755 1.5374 2.3623 1.8216 1.9215 4.2190 1.8864 3.8413 1.7358 2.1570 4.4845 1.3048 2.5694 1.7046 1.6787 3.6519 2.7565 3.9080 2.0336 1.8599 3.1969 3.6589 2.3144 1.9210 2.1550 1.7480 6.6506 1.8028 1.6572 1.6912 1.7149 1.6615 1.6796 1.6841 1.6754 1.6764 1.7735 1.6982 1.7217 1.8495 3.7322 3.2122 3.7895 11.0721 14.2939 9.9635 15.8154 22.0869 28.4575 6.3099 6.4466 6.3815 6.2957 6.2953 6.3343 6.3778 6.3172 6.7480 6.7969 6.7992 6.9036 6.9246 6.6882 6.9318 7.0263 6.9329 6.9931 7.2303 7.3115 7.3212 7.3899 7.4679 7.5351 7.5698 9.2710 9.8139 2.1425 1.0159 0.4790 1.3223 0.3960 1.7761 0.6183 0.3283 1.0570 3.8120 0.1282 0.7836 0.6795 5.3069 4.7068 4.0506 6.2109 5.4714 3.7918 0.6808 0.4001 0.4227 1.0358 2.5060 0.4469 0.7543 2.2852 2.3183 0.7768 2.2391 0.7717 1.5425 3.3860 0.8881 8.7652 22.4737 8.5595 0.2668 2.1049 2.8444 23.2704 0.1822 1.6240 2.2059 17.3598 2.4107 37.7283 5.8822 3.3389 25.1415 7.3441 12.7443 68.2321 97.4270 58.3599 0.3340 5.0574 28.1176 67.7775 143.0176 62.2226 215.7538 12.4893 18.2799 9.2593 22.8718 3.3009 2.9004 76.4503 3.4109 4.6437 2.0407 10.1446 20.4666 31.1400 7.0252 0.6203 153.7846 17.8434 6.6562 14.3135 2.9983 9.4434 4.7200 0.9724 14.5876 207.9704 16.2721 23.1079 84.1722 39.8884 1.5202 2.9444 36.2951 61.4907 11.4034 238.7627 5.3686 6.4426 5.3588 13.8740 443.8068 518.5868 18.3614 4.3038 482.9629 36.7943 81.9935 236.5644 1.3842 54.7653 2.3958 11.7450 108.8391 103.5075 209.5423 1.8657 5.6292 22.0041 23.7029 7.0727 0.5939 51.8320 4.4617 66.0309 0.2956 1.6922 7.4431 0.2851 9.1881 0.8314 5.2184 6.4159 0.9867 4.7449 28.1040 18.6970 143.1852 27.1312 1450.7618 550.5314 37.1735 26.6374 17.4372 158.5033 217.0677 588.7746 51.6105 5.6504 26.9509 18.5054 13.7887 66.2595 87.0317 21.4110 23.8486 38.7965 26.0917 71.9341 54.3330 8.2607 2.5002 13.7909 80.6949 47.1153 46.0164 3.2567 3.7734 3.6619 0.0620 0.3550 0.2010 136.1873 83.1933 0.3119 0.2482 1.0825 0.2972 1.2531 0.2499 1.1389 2.6224 1.8517 0.1535 1.5469 0.4524 0.2205 0.7853 0.2014 0.8302 0.1608 1.3987 0.5788 0.3188 0.1688 0.3211 1.0553 0.3744 0.1581 0.5877 2.9925 0.7094 0.2818 2.2731 0.5395 1.3975 0.8099 0.4784 1.2708 1.0146 1.3927 6.0107 1.1516 1.0419 2.1047 0.1306 1.3516 1.1284 1.4063 5.0452 1.1956 1.4630 6.7572 1.9939 8.9217 3.0558 1.6743 5.8721 4.2198 7.5060 2.9876 5.0319 6.0267 17.1080 5.1601 2.4405 1.9701 3.5292 1.5627 3.4381 2.6616 8.9172 1.8967 5.6899 1.3382 7.2036 2.5878 3.9505 7.2614 9.7357 0.8203 6.5435 8.3485 8.7142 6.5675 1.8212 0.6161 1.1677 0.4117 5.4210 3.2325 4.3759 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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 57 58 59 60 6 6 8 6 8 7 6 8 6 6 6 16 6 7 6 8 6 6 6 6 6 6 16 8 8 7 6 6 6 6 1 6 6 6 1 1 1 1 1 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 15.99491 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 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
11089.2025 38952.4168 48238.4935 0.99998 -0.00130 -0.00649 0.00126 0.99998 -0.00594 0.00650 0.00593 0.99996 1 0.00781 0.00222 0.00180 0.16275 0.04633 0.03741 17.94 24.52 29.45 42.47 59.47 73.59 78.06 83.01 107.34 109.13 120.26 129.13 148.53 173.35 186.78 196.97 205.74 237.57 274.20 285.22 293.87 302.15 313.41 323.02 363.30 381.40 393.76 403.29 408.42 424.15 434.81 445.32 471.99 514.84 535.31 557.25 569.91 577.85 592.10 595.59 615.90 655.90 683.44 691.16 728.98 741.52 769.83 810.28 834.18 863.33 879.25 917.44 937.73 947.61 977.88 993.91 1025.80 1059.20 1093.11 1110.51 1128.15 1196.63 1226.91 1232.23 1246.93 1256.74 1271.74 1279.66 1291.37 1344.48 1389.72 1394.00 1408.82 1437.30 1444.93 1467.06 1516.13 1526.65 1540.77 1562.94 1595.06 1599.33 1608.98 1616.15 1625.89 1687.38 1708.72 1722.33 1723.23 1728.61 1752.61 1768.27 1773.95 1793.97 1802.91 1815.66 1827.86 1851.45 1859.51 1869.46 1878.14 1894.24 1905.31 1943.75 1970.26 1992.72 2009.26 2036.40 2044.69 2052.72 2055.42 2097.62 2101.53 2121.76 2122.06 2142.49 2197.05 2219.13 2226.99 2234.28 2238.77 2255.32 2278.21 2289.68 2293.00 2331.53 2345.27 2345.49 2358.84 2361.72 2364.27 2365.42 2366.39 2370.94 2374.57 2381.10 2395.89 2404.36 2414.09 2442.06 2522.93 2538.03 2566.67 2609.85 2771.29 2818.11 2955.57 4545.13 4574.26 4586.74 4590.92 4597.88 4599.72 4607.79 4628.61 4644.40 4661.24 4671.10 4690.53 4696.55 4700.08 4722.04 4726.92 4728.09 4729.49 4781.78 4832.62 4833.85 4877.24 4905.34 4917.76 4926.31 5494.42 5655.35 0.517215 0.548404 0.549348 0.450460 -2255.845010 -2255.813821 -2255.812876 -2255.911765 3.316753D-04
MUNgauss RevisionA2.0 retrievium 06-Jan-2021 DUDE CCOC(=O)NC(=O)c1c2c(sc1NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)C[C@@H](CC2)C C09298232 RHF 6-31G(d) (6D,10F) C1 493.134129 |X|Y|Z| 75.799538 144.112890 26.229076
65.925099 17 6 7 16 15 1 1
|36.858105| |12.587888|36.858105| |8.040436|13.343653|73.516695| |5.275220|8.117502|25.537247|36.858105| |4.599620|7.144171|15.217509|16.121643|73.516695| |4.200187|5.400678|15.471141|13.763428|14.720660|53.358707| |3.234008|3.978628|9.603595|7.702265|11.534806|18.785223|36.858105| |2.957167|3.692385|8.250963|6.694009|12.037644|11.492997|15.856825|73.516695| |2.780559|3.203228|7.405987|5.069949|7.725239|10.689272|12.852530|14.373217|36.858105| |2.751321|3.029764|6.954411|4.336891|6.455906|8.553506|7.175938|9.124777|13.037143|36.858105| |2.329649|2.507800|5.486820|3.344338|5.197083|6.003239|5.066878|7.249611|8.185483|14.201786|36.858105| |2.066305|2.255775|4.810132|3.016855|4.890566|5.222936|4.773354|7.468918|7.384680|7.398254|10.955690|388.023441| |2.348097|2.662365|5.825248|3.886055|6.316668|7.103706|7.728565|11.956701|13.902632|8.130087|7.698872|78.392665|36.858105| 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|1.564977|1.759650|3.380523|2.166931|4.052048|3.105172|2.658002|5.440986|2.589046|2.190123|2.160182|18.286796|2.967867|5.139048|4.466112|6.816328|6.890216|7.968182|13.727612|36.858105| |1.760388|2.011457|3.891436|2.544622|4.818304|3.636654|3.162649|6.723349|2.979401|2.443234|2.356171|19.795562|3.387495|6.084486|5.005367|7.125880|7.922128|6.862890|7.897896|13.747301|36.858105| |1.917834|2.206722|4.384074|2.921679|5.438313|4.328212|3.957831|8.603643|3.770015|2.959894|2.841580|24.680087|4.487366|8.978170|7.482000|9.393174|13.702678|7.921262|6.855177|7.961514|13.761244|36.858105| |1.420321|1.583805|2.981828|1.880480|3.542247|2.633995|2.182718|4.395556|2.105798|1.828669|1.799888|14.747517|2.332784|3.819384|3.151891|5.043443|4.192755|4.727513|6.941373|10.707611|6.948856|4.726541|388.023441| |1.468926|1.642647|3.062004|1.926563|3.662846|2.655012|2.167926|4.379028|2.050430|1.778981|1.730410|13.927940|2.227078|3.604235|2.873817|4.562843|3.696472|3.847746|4.980311|7.362835|6.484053|4.421253|94.832388|73.516695| |1.303311|1.436228|2.703735|1.684196|3.131007|2.374463|1.953541|3.848240|1.922981|1.699084|1.696661|13.952227|2.141113|3.437437|2.887529|4.802675|3.696271|4.425830|6.489389|7.364059|4.979537|3.843850|94.828585|13.594045|73.516695| |1.383199|1.545758|2.892758|1.826969|3.472352|2.539965|2.097638|4.239967|2.011717|1.756996|1.721265|13.913183|2.199282|3.547940|2.851619|4.575661|3.638456|4.016633|5.372113|6.939957|5.392529|4.025403|82.689364|13.726929|13.726786|53.358707| |1.472469|1.662841|3.091770|1.969164|3.810382|2.697812|2.220033|4.563109|2.079366|1.802828|1.738801|13.830833|2.231119|3.586345|2.775170|4.370632|3.465250|3.564822|4.354388|5.658132|5.269882|4.017394|51.014480|11.702038|8.890103|17.788127|36.858105| |1.307598|1.451923|2.728210|1.715221|3.227671|2.408370|1.994226|3.978180|1.948753|1.721174|1.705411|13.858605|2.146358|3.425000|2.788568|4.579253|3.466878|4.005926|5.247904|5.662375|4.372350|3.575601|51.028997|8.891237|11.701937|17.792097|7.736411|36.858105| |2.134709|2.229205|4.739827|2.775414|4.356313|4.692505|3.690342|5.521681|5.028500|7.486790|12.653543|48.036310|4.826708|4.917271|3.208505|6.054069|2.566317|2.302143|1.977815|1.871130|2.001583|2.340481|11.331101|2.724134|2.704346|2.083931|1.538951|1.528176|36.858105| |2.338149|2.381997|5.075626|2.858275|4.401623|4.754767|3.481327|5.142968|4.389287|6.585272|7.603486|32.723977|3.882696|4.127046|2.670893|4.884315|2.220945|1.995631|1.751917|1.685524|1.812132|2.086342|10.371006|2.521915|2.467841|1.915851|1.426691|1.396413|12.420280|36.858105| |2.466010|2.480409|5.312540|2.935007|4.467070|4.873031|3.478177|5.109171|4.294213|6.191374|6.732650|30.903811|3.775095|4.055007|2.626574|4.780101|2.197145|1.966020|1.732062|1.675736|1.809903|2.082151|10.325311|2.527864|2.456548|1.892633|1.408232|1.369955|8.921112|17.494255|0.500000| |2.666197|2.745091|5.974420|3.357069|5.074828|5.659123|3.995942|5.752903|4.870661|7.561801|6.821639|30.030815|3.968669|4.221762|2.649454|4.691052|2.230757|1.982524|1.751729|1.705776|1.853033|2.133487|10.514935|2.567127|2.476685|1.961517|1.478905|1.425304|7.617860|12.445561|0.247995|36.858105| |3.134983|3.356569|7.825975|4.526730|6.498756|8.473293|5.754512|7.578575|7.142330|12.568177|7.676106|33.649142|5.009699|5.120443|3.049508|5.222231|2.543323|2.197214|1.930395|1.900783|2.107771|2.470407|11.576592|2.843498|2.693996|2.149254|1.632901|1.545023|6.329767|7.508877|0.195851|12.438205|36.858105| |2.060293|2.062084|4.245650|2.362406|3.720659|3.755031|2.737135|4.200779|3.272250|4.354805|4.947310|25.347200|3.018125|3.376981|2.257061|4.170717|1.921704|1.764599|1.568192|1.504796|1.596564|1.805666|9.389326|2.279841|2.252594|1.743359|1.293892|1.278592|7.538161|12.466903|0.247703|7.508790|4.889114|36.858105| |17.573309|8.849989|12.877110|4.896505|7.437210|5.603426|3.175469|5.073795|2.793849|2.846084|2.403159|14.845687|2.339405|2.933560|1.874168|3.118400|1.753252|1.555383|1.456757|1.506758|1.682872|1.839718|9.708592|2.490039|2.236841|1.817746|1.417556|1.272083|2.231131|2.494633|0.072704|2.904599|3.368670|2.208862|0.500000| |17.574559|8.850962|12.880720|4.898400|7.440123|5.597242|3.190240|5.137680|2.791674|2.778979|2.370940|14.955221|2.371415|3.008649|1.931462|3.204539|1.816897|1.604733|1.506052|1.566773|1.761386|1.924211|10.087880|2.611963|2.322649|1.863552|1.447106|1.292584|2.178636|2.392440|0.071419|2.670327|3.137936|2.100458|0.300722|0.500000| |17.560223|8.906244|10.214401|4.278195|7.088365|4.710543|2.788544|4.650634|2.421784|2.384992|2.059182|13.191223|2.090289|2.699360|1.749628|2.896457|1.672161|1.490706|1.414833|1.480764|1.657059|1.781908|9.664126|2.509666|2.219464|1.807815|1.417163|1.253993|1.904519|2.069154|0.060233|2.329220|2.669701|1.854598|0.300790|0.300788|0.500000| |8.809109|17.626854|16.524451|7.286150|12.847392|6.711836|3.788829|6.405233|3.049631|2.879000|2.394958|15.392404|2.552331|3.312513|2.085505|3.376927|1.992583|1.744135|1.645713|1.734670|1.975954|2.152563|11.162984|2.886788|2.524690|2.110136|1.681123|1.460327|2.136960|2.272640|0.064597|2.650029|3.191020|1.987031|0.211130|0.172952|0.211563|0.500000| |8.810056|17.628798|16.526877|7.290106|12.858426|6.699959|3.813262|6.533513|3.046456|2.809671|2.363033|15.512661|2.593571|3.420833|2.164696|3.486230|2.086831|1.814070|1.717291|1.827432|2.105650|2.290493|11.746781|3.080488|2.649227|2.182233|1.730676|1.491334|2.090798|2.194826|0.063692|2.469222|2.993533|1.907317|0.172953|0.211154|0.211601|0.302312|0.500000| |4.374524|5.211086|15.199659|9.479826|10.872986|26.131668|9.304681|10.860211|7.486335|7.133760|4.820732|27.776904|4.952056|5.558143|3.186372|5.146291|2.765485|2.313802|2.062585|2.099269|2.415047|2.848021|12.753867|3.204666|2.909238|2.346312|1.811776|1.645348|3.821179|4.036977|0.117869|4.894732|7.943326|3.099090|0.122717|0.122367|0.097971|0.128291|0.127873|0.500000| |2.329289|2.736181|5.803638|4.093523|7.254124|6.801347|7.683350|17.877287|7.414973|4.787594|4.302489|37.699983|9.549299|25.980495|9.261669|10.818246|7.413631|4.884738|3.918824|3.940856|4.933125|7.474091|20.863808|4.999065|4.572072|3.749473|2.859254|2.611359|3.219522|2.812044|0.077000|2.962649|3.656110|2.319696|0.062959|0.064530|0.058432|0.073862|0.076411|0.119208|0.500000| |1.524187|1.683370|3.326207|2.107739|3.763756|3.190036|2.805900|5.393937|3.032768|2.623934|2.763128|25.971971|3.824291|6.587834|7.266074|13.700714|8.950328|17.762802|8.913419|5.654701|4.950645|5.651461|27.751006|5.738193|6.875609|4.681969|3.056072|3.576105|2.384762|2.036951|0.055429|1.996453|2.177437|1.813222|0.041543|0.042653|0.039539|0.045818|0.047308|0.061592|0.120248|0.500000| |1.384245|1.528241|2.941577|1.850136|3.384979|2.690226|2.283169|4.479514|2.328328|2.037962|2.077820|17.934151|2.717125|4.508827|4.139043|7.026391|5.636447|8.913090|17.759772|8.913819|5.634755|4.946450|47.162042|8.180021|13.263872|7.204991|4.056909|5.608894|1.839021|1.633524|0.044789|1.624665|1.766292|1.478971|0.037432|0.038590|0.036402|0.041870|0.043499|0.051599|0.090154|0.213973|0.500000| |1.803521|2.073525|3.954545|2.584870|4.990042|3.596331|3.052562|6.532490|2.789008|2.302913|2.189678|17.848064|3.055821|5.267167|4.071496|5.946730|5.638941|4.950858|5.633267|8.916563|17.761222|8.915208|47.193934|13.232469|8.173499|7.240581|5.650220|4.075714|1.873522|1.722636|0.048001|1.774684|2.024494|1.521967|0.047510|0.050014|0.047433|0.056675|0.061045|0.065966|0.121284|0.107559|0.124132|0.500000| |2.146440|2.514844|5.059999|3.463212|6.504034|5.136277|4.804947|11.077770|4.309440|3.255623|3.023717|25.505401|4.940051|9.864673|6.815385|8.573790|8.842050|5.623761|4.945018|5.674554|8.994625|17.737807|27.877704|6.912457|5.749054|4.712616|3.607520|3.073027|2.448480|2.207779|0.061601|2.286481|2.713301|1.886826|0.056768|0.059823|0.054987|0.067700|0.073028|0.091568|0.259748|0.123950|0.107459|0.217114|0.500000| |1.513445|1.713397|3.162928|2.011498|3.920410|2.724010|2.219019|4.570158|2.051992|1.776413|1.702111|13.429101|2.179655|3.489112|2.665249|4.181772|3.304744|3.307170|3.970907|5.320854|5.307258|3.965828|49.119065|13.925429|8.395363|12.425538|17.677268|5.642367|1.505809|1.405121|0.038752|1.457515|1.617129|1.272161|0.040203|0.041382|0.040586|0.047979|0.050006|0.050721|0.077828|0.078621|0.101568|0.173689|0.101588|0.500000| |1.397831|1.570517|2.898735|1.831518|3.541891|2.495513|2.030602|4.123616|1.907586|1.675133|1.617528|12.723719|2.026771|3.192028|2.447028|3.915855|2.949450|3.047166|3.610947|4.350226|4.069944|3.308748|38.369862|8.968630|7.535923|12.562451|17.604714|7.178946|1.444885|1.346334|0.036818|1.398685|1.532572|1.229369|0.037498|0.038023|0.037544|0.044368|0.045238|0.046772|0.070192|0.074765|0.096578|0.119475|0.084373|0.301877|0.500000| |1.568855|1.787565|3.351485|2.163462|4.210519|2.979184|2.489527|5.212491|2.315575|1.981127|1.899291|15.169032|2.491582|4.064546|3.112773|4.804466|3.922004|3.916411|4.611692|5.920236|5.906328|4.621598|43.561284|9.787891|7.831255|12.213512|17.509010|6.808970|1.663858|1.536320|0.041958|1.602842|1.782113|1.384591|0.042033|0.042674|0.041725|0.050373|0.051479|0.055070|0.091572|0.092003|0.114579|0.170731|0.115110|0.298721|0.300293|0.500000| |1.358621|1.513688|2.867576|1.815161|3.407685|2.573240|2.159018|4.326850|2.124369|1.865005|1.852147|15.210628|2.365044|3.814362|3.134044|5.116307|3.925425|4.601734|5.873155|5.927580|4.636929|3.934132|43.582466|7.834290|9.788515|12.215163|6.807584|17.507121|1.649080|1.495315|0.040538|1.529258|1.659951|1.364201|0.036839|0.037244|0.036029|0.042351|0.042965|0.048699|0.080642|0.113896|0.169047|0.115243|0.092568|0.139649|0.171287|0.196081|0.500000| |1.258498|1.394210|2.601376|1.627728|3.072372|2.267895|1.858713|3.689399|1.808477|1.611192|1.591550|12.746011|1.964795|3.080565|2.456207|4.059226|2.950796|3.300051|4.056276|4.352377|3.624162|3.056314|38.371890|7.535222|8.967727|12.563289|7.180843|17.604542|1.436375|1.321712|0.035958|1.354605|1.461558|1.216740|0.034060|0.034434|0.033663|0.039155|0.039722|0.043103|0.065453|0.083730|0.118796|0.097006|0.075189|0.146865|0.222025|0.171412|0.300302|0.500000| |1.244723|1.372294|2.580277|1.610169|3.003333|2.270834|1.872728|3.688614|1.851612|1.649690|1.649921|13.469945|2.050302|3.247185|2.684761|4.502122|3.306227|3.958291|5.291888|5.324829|3.982289|3.313597|49.128146|8.395387|13.924526|12.427042|5.642332|17.676627|1.488690|1.357093|0.037048|1.373604|1.479932|1.247751|0.033669|0.034323|0.033164|0.038171|0.039124|0.043417|0.067666|0.100680|0.172583|0.101865|0.078924|0.127276|0.146866|0.139648|0.298690|0.301859|0.500000| |1.971935|2.063854|4.317825|2.544228|4.066834|4.207762|3.344902|5.147181|4.413732|6.021126|8.933404|43.177786|4.368996|4.615732|3.074337|5.855622|2.483106|2.263024|1.948199|1.830160|1.937221|2.246805|11.129566|2.656320|2.665817|2.065608|1.523437|1.529408|17.499494|8.825085|0.174751|6.618475|5.288369|7.145836|0.057389|0.055305|0.049331|0.055712|0.053806|0.092675|0.084351|0.065734|0.050656|0.050224|0.064489|0.041140|0.039919|0.045807|0.046040|0.040058|0.041393|0.500000| |1.991143|2.063274|4.326908|2.517582|3.989808|4.171542|3.275972|5.016838|4.324194|5.756245|8.905048|45.616319|4.385275|4.640964|3.140248|6.092308|2.518603|2.287425|1.964137|1.845242|1.957697|2.277721|11.193313|2.688747|2.693726|2.041211|1.494321|1.497344|17.532270|8.815083|0.220999|5.543342|4.891064|6.692591|0.057301|0.057007|0.049683|0.054621|0.054364|0.093572|0.083508|0.066451|0.051007|0.050763|0.065571|0.040671|0.038923|0.044587|0.044704|0.038993|0.040799|0.303841|0.500000| |2.446145|2.549688|5.439434|3.128179|4.854665|5.175125|3.791475|5.609706|4.597438|6.644572|6.311564|29.508751|3.868069|4.169553|2.636241|4.680591|2.224907|1.992242|1.759954|1.705753|1.841358|2.113376|10.525291|2.552849|2.480829|1.980896|1.494999|1.450275|7.033457|8.860197|0.174516|17.512273|8.849130|6.766868|0.073803|0.067032|0.060177|0.069788|0.064003|0.118021|0.081376|0.055985|0.045471|0.048816|0.062352|0.040672|0.039422|0.045162|0.043435|0.038391|0.038750|0.198579|0.141127|0.500000| |2.796780|2.796109|5.978076|3.228138|4.877562|5.199269|3.511040|5.156623|3.994105|5.531957|4.961156|24.324518|3.299552|3.654510|2.324983|4.097268|2.002709|1.793605|1.605321|1.574296|1.707359|1.939673|9.819054|2.411434|2.314783|1.836295|1.388586|1.331329|5.520512|8.810562|0.210324|17.538587|8.869217|6.999244|0.086684|0.077604|0.067826|0.075046|0.068945|0.125601|0.072385|0.049971|0.041537|0.045814|0.057767|0.038154|0.036634|0.041608|0.039458|0.035308|0.035651|0.138673|0.123555|0.303066|0.500000| |3.549113|3.706590|8.880972|4.810704|6.667188|8.828275|5.412739|7.178620|6.135667|8.847089|6.141629|29.541180|4.447926|4.725504|2.851553|4.869260|2.418172|2.090513|1.852973|1.839482|2.047900|2.383210|11.275035|2.795932|2.624465|2.078483|1.579002|1.482811|5.335674|6.629898|0.202287|8.898898|17.470521|4.527899|0.106164|0.101299|0.082121|0.094547|0.091072|0.260248|0.094631|0.057220|0.047128|0.055120|0.073265|0.043778|0.041123|0.047559|0.043922|0.038966|0.039544|0.121614|0.124072|0.174759|0.222086|0.500000| |3.371707|3.705543|8.739733|5.147101|7.336814|9.449818|6.097568|8.086111|6.620109|8.863262|5.817381|29.144232|4.611972|4.938201|2.923241|4.908648|2.492978|2.152085|1.908763|1.897384|2.114239|2.460881|11.617364|2.860607|2.684908|2.179366|1.673656|1.564777|4.871621|5.501945|0.141836|8.858511|17.559310|4.070273|0.102036|0.090730|0.079425|0.100520|0.089699|0.231553|0.101455|0.058727|0.048456|0.056834|0.075517|0.046034|0.043785|0.050994|0.046750|0.041310|0.041362|0.122495|0.108655|0.219952|0.209934|0.303022|0.500000| |1.900599|1.899573|3.874201|2.162188|3.436088|3.410287|2.513987|3.911123|3.001917|3.848737|4.532633|24.684848|2.859458|3.242558|2.209420|4.144841|1.882966|1.744455|1.549997|1.478987|1.558769|1.757295|9.241463|2.240062|2.231332|1.707557|1.258945|1.254352|6.916862|8.774385|0.211924|5.467768|4.053858|17.542703|0.055979|0.054224|0.047850|0.050660|0.049353|0.077349|0.061345|0.050136|0.040789|0.041165|0.050642|0.034381|0.033207|0.037265|0.037098|0.033103|0.034174|0.181654|0.199985|0.139533|0.141526|0.107266|0.094857|0.500000| |2.126453|2.089156|4.260540|2.321201|3.645771|3.620098|2.569367|3.955326|2.967589|3.840729|4.086993|21.669247|2.695543|3.070437|2.050256|3.744712|1.773316|1.629740|1.462505|1.414388|1.503341|1.687059|8.896097|2.172649|2.131818|1.654431|1.232317|1.209275|5.480773|8.781226|0.214543|6.790558|4.553071|17.547542|0.064046|0.060300|0.053220|0.055851|0.053325|0.083592|0.059419|0.046206|0.038361|0.040098|0.049160|0.033777|0.032606|0.036529|0.035684|0.032071|0.032754|0.142952|0.139121|0.164597|0.207500|0.122716|0.108296|0.301692|0.500000| |1.946665|1.964179|4.011058|2.256891|3.597686|3.560232|2.630155|4.087824|3.128014|4.070055|4.621814|24.489382|2.917665|3.295668|2.214386|4.097751|1.892269|1.749172|1.556246|1.488506|1.571346|1.771210|9.306357|2.249028|2.234719|1.740412|1.292489|1.284269|6.767595|8.777859|0.173513|6.832586|4.489718|17.530934|0.058021|0.054484|0.049000|0.053232|0.050473|0.080025|0.063030|0.050110|0.040895|0.041533|0.051110|0.035141|0.034229|0.038488|0.038182|0.034040|0.034778|0.210109|0.160961|0.201141|0.174778|0.110930|0.108786|0.301487|0.301450|0.500000|
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