Version2.4 2021-05-26T08:34:34Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 08-Jan-2021 #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)Nc1ccccc1F)Sc2nc3ccccc3c(=O)n2CCCCCC(=O)[O-] C13223685 RHF 6-31G(d) (6D,7F) C[C@H](C(=O)Nc1ccccc1F)Sc2nc3ccccc3c(=O)n2CCCCCC(=O)[O-] C01[X(C23H23F1N3O4S1)] 159 C1 530 [O-]C(=O)CCCCCn1c(S[C@@H](C(=O)Nc2ccccc2F)C)nc2c(c1=O)cccc2 [O-]C(=O)CCCCCn1c(S[C@@H](C(=O)Nc2ccccc2F)C)nc2c(c1=O)cccc2 C[C@@H](SC1=Nc2ccccc2C(=O)N1CCCCCC([O-])=O)C(=O)Nc3ccccc3F InChIKey=STEBHUJGTWKBOF-OAHLLOKOSA-M InChI=1S/C23H24FN3O4S/c1-15(21(30)25-19-12-7-5-10-17(19)24)32-23-26-18-11-6-4-9-16(18)22(31)27(23)14-8-2-3-13-20(28)29/h4-7,9-12,15H,2-3,8,13-14H2,1H3,(H,25,30)(H,28,29)/p-1/t15-/m1/s1 InChI=1/C23H24FN3O4S/c1-15(21(30)25-19-12-7-5-10-17(19)24)32-23-26-18-11-6-4-9-16(18)22(31)27(23)14-8-2-3-13-20(28)29/h4-7,9-12,15H,2-3,8,13-14H2,1H3,(H,25,30)(H,28,29)/p-1/t15-/m1/s1/fC23H23FN3O4S/h25H/q-1 C[C@H](C(=O)Nc1ccccc1F)Sc2nc3ccccc3c(=O)n2CCCCCC(=O)[O-] C01[X(C23H23F1N3O4S1)] 159 C01 530 [O-]C(=O)CCCCCn1c(S[C@@H](C(=O)Nc2ccccc2F)C)nc2c(c1=O)cccc2 O=C([C@H](SC1=N[C]2[CH][CH][CH][CH][C]2C(=O)N1CCCCC[C]([O])[O])C)N[C]1[CH][CH][CH][CH][C]1F C[C@@H](SC1=N[C]2[CH][CH][CH][CH][C]2C(=O)N1CCCCC[C]([O])[O])C(=O)N[C]3[CH][CH][CH][CH][C]3F InChIKey=XFEVPTLZWPHKON-OAHLLOKOSA-N InChI=1S/C23H23FN3O4S/c1-15(21(30)25-19-12-7-5-10-17(19)24)32-23-26-18-11-6-4-9-16(18)22(31)27(23)14-8-2-3-13-20(28)29/h4-7,9-12,15H,2-3,8,13-14H2,1H3,(H,25,30)/t15-/m1/s1 InChI=1/C23H23FN3O4S/c1-15(21(30)25-19-12-7-5-10-17(19)24)32-23-26-18-11-6-4-9-16(18)22(31)27(23)14-8-2-3-13-20(28)29/h4-7,9-12,15H,2-3,8,13-14H2,1H3,(H,25,30)/t15-/m1/s1/f/h25H 3193.4396752753 -1844.1970349 1-A 22320.5522 120 410 530 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0.9041 2.9940 2.5831 0.9734 1.4736 2.5925 0.9512 0.9913 1.8522 1.6803 1.5873 3.4831 1.6618 1.5937 1.6461 1.7988 1.6302 1.6227 2.0587 1.4790 2.0952 2.2262 1.7867 1.3747 2.0645 2.1055 2.5200 2.5990 1.7833 1.9201 1.6262 2.0614 1.5742 2.4118 2.4026 2.1251 1.5683 1.9802 2.0430 2.5160 2.2256 9.8008 2.2331 1.8027 1.7015 3.7282 1.7680 3.3628 1.7058 1.7250 1.6513 1.7654 4.2975 1.8055 3.7824 4.1053 14.1578 17.1474 8.8994 11.2773 10.5910 24.4733 26.8803 21.1055 6.2468 6.2923 6.5977 6.5960 6.4444 6.4811 6.3874 6.8639 6.9168 6.8020 6.9637 7.1015 7.1794 7.3021 7.2382 7.2758 7.3545 7.3885 7.4442 7.4767 7.5100 7.7485 9.5521 2.8648 3.8178 0.2642 1.7699 2.8369 2.9930 3.3825 4.7942 3.2904 3.8370 0.6224 1.7511 0.3679 4.1651 1.4150 0.2104 0.7559 1.7408 1.1779 11.0342 0.5612 1.0582 1.0359 2.1276 1.0597 3.5338 0.6513 0.3603 6.6050 6.1667 9.1748 15.5001 7.8029 7.0311 2.1964 1.1494 3.4285 11.3968 3.2703 4.0712 5.5530 5.8996 5.4372 14.9222 18.6897 7.9358 43.7394 5.8796 2.1145 18.4334 5.2523 21.9530 19.2948 4.2320 9.4346 0.4241 12.3148 1.3778 13.4882 85.7598 75.6151 16.2946 6.2327 5.8174 12.0710 15.7941 54.2474 38.4666 0.1491 4.7967 19.7409 1.3209 7.6591 12.0058 2.2640 1.3333 3.2720 0.7336 2.0402 0.1217 17.6601 1.6408 11.8055 19.5936 39.7510 35.0998 17.8779 4.7693 3.5724 2.6449 17.8536 151.7122 30.5345 10.3894 93.4661 5.5866 34.5881 5.7750 43.6815 59.4858 9.4134 28.7447 4.1994 56.4376 3.5510 64.2093 124.9397 41.7656 7.5278 97.6320 76.5904 121.0058 37.2130 426.7028 28.8842 6.8165 2.6312 97.7380 2.0674 2.5075 5.3926 0.9427 6.7584 5.2916 179.9256 10.5673 79.9874 682.7052 452.0883 442.9359 37.9543 104.2563 112.2999 644.9750 532.5947 241.3857 2.3387 96.8335 1.1764 63.9407 5.3040 54.0943 20.1737 11.4052 94.6635 41.6402 10.2577 31.2420 9.6576 13.3417 9.8812 4.9566 29.9813 25.9455 16.5435 13.4310 8.5837 3.0612 66.3398 2.9629 2.7720 2.2971 3.5873 0.4987 5.9121 1.0035 0.5858 0.6769 1.9911 0.5332 2.7566 1.9697 0.2994 0.1019 1.4622 0.2024 0.1217 2.4691 1.0612 1.9231 1.2243 0.3677 1.9148 2.9420 1.2238 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0.4536 0.1931 0.7760 0.7669 0.5868 0.8418 0.2378 0.2065 0.2893 0.2022 0.8069 0.8313 0.7168 0.1479 0.0644 0.3236 0.7947 0.1337 0.5944 0.8126 0.8103 0.7080 0.8114 0.8144 0.5649 0.6053 0.2561 0.2555 0.3009 0.3417 0.3171 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 6 6 1 6 8 7 6 6 6 6 6 6 9 16 6 7 6 6 6 6 6 6 6 8 7 6 6 6 6 6 6 8 8 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 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 16651.7834 26943.5237 38409.3341 0.99995 0.00802 -0.00597 -0.00798 0.99995 0.00680 0.00602 -0.00675 0.99996 1 0.00520 0.00321 0.00226 0.10838 0.06698 0.04699 10.79 17.97 22.51 27.88 28.47 42.53 67.53 77.72 82.47 101.07 104.15 125.82 135.87 176.24 198.27 202.54 226.18 249.56 251.35 274.97 319.37 359.63 375.49 399.44 426.16 437.43 462.03 476.28 509.04 529.81 554.45 604.01 613.08 623.93 635.56 702.89 726.63 742.26 798.74 819.67 839.23 848.09 861.15 871.09 897.58 912.00 926.09 943.65 951.44 1005.61 1069.31 1075.74 1114.68 1127.19 1131.55 1135.15 1144.31 1180.33 1224.30 1232.10 1249.33 1261.30 1284.98 1300.55 1319.57 1329.79 1401.02 1406.18 1413.69 1424.87 1463.17 1506.40 1538.15 1557.85 1586.85 1588.21 1591.08 1600.06 1604.24 1619.43 1623.93 1628.51 1636.10 1702.95 1716.21 1728.35 1733.10 1738.31 1743.24 1761.12 1766.01 1803.35 1863.63 1875.92 1889.25 1924.37 1924.69 1935.53 1961.65 1973.26 1988.77 2029.14 2034.00 2037.70 2060.81 2067.66 2079.07 2079.85 2091.56 2135.45 2136.90 2181.00 2212.92 2219.88 2241.81 2256.06 2323.64 2337.77 2341.44 2341.62 2347.39 2357.40 2359.07 2372.53 2376.34 2389.12 2392.79 2488.02 2535.41 2581.21 2599.79 2612.41 2619.85 2732.25 2805.92 2831.52 4547.96 4561.76 4585.57 4591.01 4619.07 4629.66 4655.47 4673.34 4690.54 4733.08 4742.24 4760.06 4779.90 4825.34 4833.82 4846.37 4862.96 4871.27 4885.38 4893.16 4908.34 4989.70 5579.83 0.463416 0.491840 0.492784 0.395937 -1843.733619 -1843.705195 -1843.704251 -1843.801098 3.248264D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE C[C@H](C(=O)Nc1ccccc1F)Sc2nc3ccccc3c(=O)n2CCCCCC(=O)[O-] C13223685 RHF 6-31G(d) (6D,10F) C1 456.139331 |X|Y|Z| 114.420836 87.466965 39.711989 73.523065 20 6 7 16 16 3 1 |36.858105| |12.499133|36.858105| |8.874242|17.628675|0.500000| |7.533791|12.412912|0.248823|36.858105| |6.947202|7.986747|0.173708|15.921131|73.516695| |5.068706|7.811025|0.198259|14.003666|14.989090|53.358707| |3.805007|5.011655|0.131950|7.671563|11.693150|18.492933|36.858105| |3.475469|4.173855|0.107835|6.238869|11.697715|10.433165|13.708361|36.858105| |2.773862|3.211109|0.085036|4.295714|7.975728|6.954403|7.921244|13.723403|36.858105| |2.467783|2.889457|0.078282|3.662625|6.420786|6.177453|6.805021|7.890210|13.783763|36.858105| |2.574723|3.124252|0.086082|3.892171|6.412678|7.074307|7.845375|6.846119|7.970711|13.736605|36.858105| |3.105463|3.987539|0.109925|5.174104|7.951211|10.909802|13.711780|8.019740|6.994707|8.027800|13.896367|36.858105| |3.080385|4.054515|0.115847|4.775877|6.978892|9.814955|8.159808|5.306815|4.688484|5.297422|8.149444|14.219699|97.533100| |6.831049|10.401756|0.223589|6.905047|9.114177|8.375000|4.337745|3.550139|2.870646|2.690546|2.985384|3.770356|9.186344|388.023441| |5.419491|6.809142|0.196690|4.650805|6.623722|5.971588|3.354880|2.805322|2.368182|2.278598|2.542426|3.103560|7.863193|75.932947|36.858105| |5.601850|6.710953|0.228050|4.502805|6.511435|5.683100|3.218682|2.720457|2.302015|2.208625|2.448851|2.967785|7.449186|51.322787|14.996665|53.358707| |4.137152|4.544088|0.148520|3.419784|5.185653|4.447324|2.666590|2.302928|2.003142|1.948140|2.151868|2.533280|6.375999|34.435558|8.357232|18.778970|36.858105| |3.733535|3.925083|0.130781|3.088094|4.815130|4.002549|2.459878|2.163131|1.899656|1.845486|2.017903|2.339321|5.791645|26.913887|5.365481|10.805144|13.601743|36.858105| |2.965055|3.062829|0.097766|2.528360|4.029858|3.327307|2.109606|1.881805|1.683582|1.649994|1.795803|2.039643|5.035425|21.554838|4.073291|7.100111|7.944742|13.879593|36.858105| |2.636638|2.739432|0.084754|2.291960|3.659433|3.052534|1.955596|1.745761|1.575204|1.555531|1.697282|1.913644|4.756735|20.340538|3.878092|6.220563|6.833774|7.892678|13.601765|36.858105| |2.763291|2.920243|0.088901|2.414000|3.808961|3.230746|2.051579|1.814435|1.630805|1.613612|1.772317|2.012393|5.055748|22.984461|4.635029|7.025109|7.871999|6.840945|7.950514|13.883112|36.858105| |3.370132|3.660445|0.112275|2.899775|4.467681|3.855138|2.377762|2.068759|1.829505|1.799471|1.990265|2.306262|5.845078|30.127718|7.022134|10.738455|13.735831|7.921558|6.907044|7.948960|13.628072|36.858105| |3.317259|3.670940|0.106946|2.943027|4.509682|3.954123|2.440349|2.112514|1.868846|1.843972|2.048429|2.378758|6.067872|33.840676|7.941622|9.197259|7.751960|5.090512|4.510211|5.093803|7.666369|12.996575|36.858105| |2.787894|3.030304|0.086684|2.533383|3.956649|3.439409|2.181625|1.912155|1.717156|1.706849|1.888966|2.154782|5.470262|27.433134|5.453836|6.455894|5.337811|4.008794|3.812815|4.519714|6.693725|8.097257|15.900736|73.516695| |4.018326|4.664375|0.130838|3.603158|5.366426|4.805369|2.866146|2.438905|2.116627|2.070018|2.310481|2.744964|7.013816|50.542693|13.909499|11.041403|6.980604|4.613400|3.832844|3.959998|5.139058|7.889399|13.651708|14.977801|53.358707| |3.526252|4.025844|0.106668|3.338661|5.077168|4.520319|2.778912|2.390924|2.097386|2.059806|2.290753|2.685726|6.791837|45.401603|7.587042|7.004104|4.524019|3.395173|2.966376|3.100638|3.865780|5.054689|7.791017|12.589688|17.488135|36.858105| |3.426623|3.614273|0.092978|3.023166|4.778866|3.935203|2.462316|2.190540|1.932056|1.872034|2.031616|2.335878|5.690926|37.487087|5.667606|5.784905|3.825360|3.010038|2.680538|2.801508|3.405012|4.206464|5.824997|10.112665|10.324554|12.480365|36.858105| |2.868485|3.017593|0.077128|2.680097|4.332860|3.551602|2.299636|2.078568|1.863897|1.815940|1.956453|2.206871|5.311640|29.522562|4.046235|4.392714|2.947538|2.432938|2.214611|2.313814|2.731203|3.194485|4.131283|7.600024|6.712092|7.526041|12.440832|36.858105| |2.629323|2.645139|0.067457|2.377058|3.954045|3.091926|2.031481|1.881107|1.700259|1.643261|1.739475|1.932891|4.556887|24.034507|3.275843|3.743573|2.553365|2.173747|2.005185|2.087753|2.408599|2.730466|3.332061|6.130083|5.118171|4.875373|7.454510|12.436460|36.858105| |2.243259|2.270472|0.058197|2.110084|3.556515|2.784642|1.875156|1.758066|1.614185|1.568960|1.649540|1.802693|4.214905|19.918955|2.662964|3.117010|2.141827|1.863409|1.737555|1.805850|2.049465|2.273302|2.700409|5.010105|4.059854|3.745292|4.856879|7.455310|12.490143|36.858105| |2.034839|2.013072|0.051791|1.883899|3.230145|2.463627|1.674093|1.593850|1.473396|1.425458|1.481162|1.602720|3.704981|16.928082|2.275733|2.737768|1.900249|1.686155|1.586211|1.642442|1.833581|1.998752|2.300878|4.243002|3.382435|2.945874|3.694876|4.802373|7.325819|12.227480|36.858105| |2.107069|2.042207|0.052510|1.889313|3.256055|2.437209|1.644497|1.570265|1.444353|1.388453|1.438098|1.561283|3.599358|16.940630|2.300230|2.792807|1.944775|1.732891|1.631200|1.685019|1.873182|2.037561|2.319406|4.242289|3.388315|2.876517|3.679765|4.448181|6.903392|8.021178|15.440107|73.516695| |1.826027|1.818156|0.047016|1.727766|2.977283|2.280339|1.570267|1.504405|1.405127|1.365701|1.413717|1.514168|3.487659|15.063313|2.018299|2.451766|1.708466|1.530500|1.447461|1.497486|1.658948|1.791948|2.041066|3.771554|2.976902|2.562525|3.063770|3.885239|5.162984|8.107267|15.449960|15.165168|73.516695| |17.611297|8.802179|0.173465|6.803131|12.327433|6.357810|3.652616|3.443985|2.763361|2.432973|2.500366|2.971203|6.517284|45.038056|4.704275|6.167745|3.509173|3.149556|2.592728|2.365277|2.502229|3.005259|3.058029|4.682736|5.063041|3.454197|3.496813|3.001145|2.803831|2.396322|2.183795|4.035373|3.469993|0.500000| |17.610376|8.887420|0.215081|5.503711|8.888149|5.679620|3.233995|2.938985|2.420809|2.201630|2.315125|2.753900|6.304805|45.743106|6.043572|8.934904|4.849779|4.322711|3.364652|2.970184|3.120371|3.860385|3.716975|5.454258|6.037053|3.732081|3.686328|2.978463|2.741728|2.295010|2.084941|3.878951|3.298562|0.300171|0.500000| |17.587436|8.863833|0.212845|6.931240|12.742763|6.454892|3.712707|3.505974|2.806507|2.466049|2.531935|3.010590|6.584782|36.157627|4.335756|6.408143|3.697222|3.534823|2.846105|2.489491|2.541631|3.008311|2.886340|4.380777|4.563587|2.960501|2.872061|2.466446|2.294165|1.996771|1.837359|3.383214|2.961935|0.301766|0.300450|0.500000| |4.762988|7.596223|0.209357|9.443096|10.882561|26.058415|9.375800|5.731676|4.295163|4.095292|4.960674|7.712317|19.522426|49.763483|5.107662|6.463927|3.658476|3.206225|2.643451|2.439803|2.616638|3.175562|3.289113|5.025520|5.534509|3.762989|3.133424|2.786041|2.369890|2.117790|1.851463|3.243198|3.038556|0.119620|0.114548|0.120015|0.500000| |3.831617|4.404249|0.110387|6.801127|15.108824|9.451079|8.946669|17.832834|8.904901|5.634381|4.946968|5.689332|9.615518|25.433236|2.795576|3.711439|2.296611|2.166435|1.878517|1.734332|1.796762|2.049730|2.084422|3.345011|3.279538|2.354331|2.198612|2.078513|1.904637|1.773098|1.619682|2.857524|2.708640|0.107555|0.087809|0.109669|0.142607|0.500000| |2.571544|2.869983|0.075710|3.730225|7.223366|5.632837|5.651905|8.963320|17.722640|8.930391|5.658638|5.015345|8.342301|18.212833|2.138572|2.842352|1.834932|1.753367|1.565407|1.466154|1.511255|1.682171|1.713740|2.814790|2.620146|1.912983|1.789883|1.737448|1.606290|1.534676|1.414941|2.471856|2.408268|0.072012|0.062617|0.073096|0.098160|0.216134|0.500000| |2.170982|2.485040|0.067627|3.041587|5.393180|4.918746|4.917552|5.621864|8.901222|17.729532|8.914843|5.687340|9.589978|16.658452|2.024805|2.678983|1.761835|1.679753|1.518639|1.438746|1.487706|1.641799|1.680658|2.790559|2.537560|1.863641|1.707448|1.670177|1.523448|1.467443|1.341770|2.319866|2.299653|0.059707|0.054451|0.060449|0.092785|0.123932|0.214445|0.500000| |2.310285|2.771907|0.077359|3.292184|5.397257|5.776924|5.628921|4.940613|5.637512|8.819839|17.739195|9.019638|16.774539|19.355894|2.389984|3.133967|2.058935|1.934567|1.741330|1.659264|1.733458|1.928775|1.988253|3.291049|3.012076|2.202666|1.943461|1.882388|1.670532|1.593325|1.429828|2.458631|2.436701|0.062196|0.058708|0.062877|0.118272|0.107466|0.123723|0.211973|0.500000| |4.086260|4.236946|0.146511|3.332829|5.225965|4.247473|2.597557|2.295634|2.001304|1.926447|2.092834|2.433756|5.936057|26.735477|4.923238|9.954875|8.920994|17.738650|8.899689|5.609823|4.937125|5.651968|4.149273|5.966516|5.485651|3.081168|2.767742|2.275496|2.052224|1.773942|1.615596|2.954608|2.616173|0.093120|0.130083|0.111357|0.092897|0.064318|0.051360|0.048537|0.055257|0.500000| |2.719317|2.767812|0.087929|2.340450|3.787836|3.078408|1.980758|1.787554|1.610686|1.577777|1.704683|1.916242|4.678895|18.937288|3.384810|5.739900|5.648286|8.984306|17.707298|8.879953|5.658459|4.968861|3.594629|5.593485|4.309684|2.547429|2.338926|1.974171|1.811387|1.588465|1.464581|2.680637|2.389868|0.066390|0.084504|0.074245|0.067030|0.049680|0.041829|0.040534|0.045970|0.214646|0.500000| |2.305618|2.374614|0.072523|2.032100|3.284234|2.717996|1.769189|1.594566|1.452962|1.439712|1.563331|1.741476|4.302373|17.537734|3.192507|4.945545|4.932275|5.633045|8.860037|17.725201|8.949774|5.643177|4.131506|6.921674|4.486606|2.702158|2.485443|2.102598|1.922599|1.683820|1.545353|2.818365|2.519850|0.058211|0.071247|0.061110|0.059850|0.043983|0.037752|0.037234|0.042669|0.123636|0.214424|0.500000| |2.466059|2.598714|0.077437|2.193681|3.488854|2.957575|1.904143|1.693556|1.535341|1.526698|1.674464|1.883011|4.725481|20.857214|4.019330|5.707125|5.637283|4.938320|5.632227|8.903934|17.750383|8.938205|7.128308|13.285449|6.406912|3.784269|3.382324|2.764614|2.444414|2.090956|1.868964|3.381730|3.011678|0.063246|0.076333|0.063013|0.066327|0.046477|0.039633|0.039308|0.045769|0.107309|0.123903|0.213517|0.500000| |3.673703|4.398105|0.113431|3.763416|5.619233|5.223718|3.185127|2.691824|2.340606|2.301029|2.584839|3.078994|7.839983|53.931220|7.179389|6.636436|4.074855|3.150666|2.725270|2.777710|3.333911|4.261834|5.809891|9.292969|12.406214|17.638871|8.793076|6.885407|4.533345|3.655886|2.866412|4.901714|4.494338|0.101095|0.103603|0.085295|0.122704|0.072951|0.058701|0.057303|0.068604|0.081642|0.066007|0.067765|0.089532|0.500000| |2.966733|3.361870|0.091385|2.890063|4.452178|4.008233|2.537058|2.193183|1.958573|1.951822|2.180910|2.515702|6.434691|34.419660|5.790171|5.930222|4.105812|3.164291|2.858621|3.077003|3.895920|4.848365|7.636818|14.717046|12.595140|17.689904|8.845046|6.818078|4.514425|3.631211|2.851493|4.874772|4.475577|0.080448|0.086728|0.071197|0.092756|0.059427|0.049716|0.049486|0.059153|0.078905|0.068407|0.075546|0.110340|0.304435|0.500000| |3.131583|3.217125|0.084943|2.685746|4.294815|3.489360|2.205672|1.979046|1.760686|1.710798|1.849446|2.104842|5.125711|30.898636|5.086197|5.529043|3.883906|3.075939|2.803160|3.005606|3.724656|4.485325|6.269048|11.672386|9.446929|8.908312|17.550759|8.833485|6.809536|4.514936|3.595863|6.536671|5.290054|0.087491|0.095884|0.074274|0.076828|0.055268|0.045567|0.043629|0.049431|0.077164|0.067595|0.074369|0.105210|0.173726|0.214584|0.500000| |4.054955|4.122586|0.102519|3.354928|5.334078|4.207966|2.590229|2.321094|2.020135|1.927382|2.071469|2.397177|5.738807|43.086581|6.026091|6.158663|3.896738|3.090228|2.696882|2.742744|3.246048|4.043361|5.171560|8.385583|9.450117|8.855237|17.534542|8.844139|6.854989|4.531994|3.616392|6.610934|5.301296|0.117874|0.122559|0.091707|0.091409|0.065678|0.052133|0.048595|0.054384|0.080403|0.065719|0.067287|0.087164|0.209141|0.173788|0.302854|0.500000| |2.958410|3.177570|0.079805|2.895972|4.672404|3.875176|2.520552|2.272942|2.032515|1.977929|2.133230|2.414164|5.777745|31.698070|3.992571|4.306875|2.815357|2.340425|2.109803|2.170146|2.522701|2.964324|3.734624|6.648730|6.284221|6.944297|8.854969|17.472698|8.838045|6.847584|4.492287|7.208308|6.709996|0.087106|0.083025|0.070496|0.084181|0.062915|0.052422|0.050320|0.056751|0.061646|0.052561|0.054759|0.070007|0.208862|0.170043|0.173521|0.211343|0.500000| |2.536845|2.701592|0.070562|2.430373|3.924497|3.287985|2.159222|1.947017|1.767059|1.743600|1.889912|2.112621|5.142049|25.750433|3.673630|4.068844|2.807144|2.332125|2.157723|2.291310|2.725091|3.121091|4.081038|7.946869|6.266246|6.932806|8.858192|17.482629|8.828665|6.835066|4.476083|7.149312|6.712892|0.072491|0.073094|0.061598|0.072254|0.053554|0.045722|0.044809|0.051096|0.060105|0.053469|0.058326|0.078273|0.172628|0.205863|0.212052|0.173639|0.303563|0.500000| |2.489046|2.475258|0.064123|2.200931|3.666009|2.858140|1.878190|1.740990|1.578970|1.529617|1.619059|1.793425|4.243561|21.968564|3.144464|3.664840|2.565211|2.194411|2.051340|2.163666|2.507637|2.794990|3.397292|6.405030|4.984402|4.535178|6.849334|8.840417|17.539363|8.889479|6.741814|12.493122|8.561112|0.072698|0.073372|0.060821|0.060976|0.048982|0.041528|0.039520|0.043356|0.057041|0.051426|0.055648|0.071599|0.111856|0.120029|0.204819|0.171056|0.173414|0.210786|0.500000| |2.880531|2.823288|0.070783|2.526347|4.248376|3.216406|2.100036|1.960602|1.758381|1.679406|1.763258|1.965868|4.578110|25.301929|3.337138|3.835730|2.572175|2.201848|2.010809|2.061955|2.348904|2.682273|3.191847|5.670688|4.994987|4.539597|6.849934|8.835875|17.549320|8.900714|6.787705|12.796348|8.547405|0.087344|0.083369|0.069279|0.067602|0.055781|0.046316|0.043119|0.046630|0.058358|0.050634|0.052557|0.065166|0.120090|0.111603|0.169738|0.206481|0.210832|0.173303|0.305803|0.500000| |2.279899|2.330854|0.059197|2.206014|3.729442|2.927139|1.986110|1.868198|1.717831|1.668091|1.749463|1.907946|4.430980|20.493669|2.641390|3.079552|2.085762|1.817928|1.683182|1.732811|1.954235|2.182245|2.575519|4.699933|3.950555|3.658179|4.517603|6.833460|8.821000|17.473715|8.847790|11.062628|12.924592|0.068241|0.063726|0.056378|0.061537|0.052265|0.045360|0.043308|0.046824|0.048446|0.042855|0.044786|0.054911|0.103689|0.097435|0.111396|0.119994|0.205897|0.170451|0.173540|0.210739|0.500000| |2.068016|2.119714|0.055044|1.976006|3.312100|2.644214|1.791935|1.672534|1.546911|1.518405|1.605228|1.745517|4.116251|18.556086|2.537349|2.983950|2.078928|1.811526|1.704919|1.789934|2.040166|2.238099|2.674298|5.082192|3.935497|3.642916|4.503378|6.796198|8.812109|17.485382|8.836828|10.941154|13.080871|0.060472|0.058851|0.051478|0.056291|0.046480|0.040775|0.039599|0.043425|0.047629|0.043291|0.046609|0.058521|0.097869|0.102488|0.119521|0.111446|0.169562|0.204087|0.211170|0.173598|0.304933|0.500000| 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