Version2.4 2021-05-26T04:26:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 18-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H](c1ccc(cc1)C)NC(=O)C2CC[NH+](CC2)Cc3nc(no3)c4ccc(cc4)Br C30979683 RHF 6-31G(d) (6D,7F) CC[C@@H](c1ccc(cc1)C)NC(=O)C2CC[NH+](CC2)Cc3nc(no3)c4ccc(cc4)Br C01[X(C25H30Br1N4O2)] 180 C1 555 CC[C@@H](c1ccc(cc1)C)NC(=O)C1CC[NH+](CC1)Cc1onc(n1)c1ccc(cc1)Br CC[C@@H](c1ccc(cc1)C)NC(=O)C1CC[NH+](CC1)Cc1onc(n1)c1ccc(cc1)Br CC[C@H](NC(=O)C1CC[NH+](CC1)Cc2onc(n2)c3ccc(Br)cc3)c4ccc(C)cc4 InChIKey=SWOZUHFSELORNJ-QFIPXVFZSA-O InChI=1S/C25H29BrN4O2/c1-3-22(18-6-4-17(2)5-7-18)27-25(31)20-12-14-30(15-13-20)16-23-28-24(29-32-23)19-8-10-21(26)11-9-19/h4-11,20,22H,3,12-16H2,1-2H3,(H,27,31)/p+1/t22-/m0/s1 InChI=1/C25H29BrN4O2/c1-3-22(18-6-4-17(2)5-7-18)27-25(31)20-12-14-30(15-13-20)16-23-28-24(29-32-23)19-8-10-21(26)11-9-19/h4-11,20,22H,3,12-16H2,1-2H3,(H,27,31)/p+1/t22-/m0/s1/fC25H30BrN4O2/h27,30H/q+1 CC[C@@H](c1ccc(cc1)C)NC(=O)C2CC[NH+](CC2)Cc3nc(no3)c4ccc(cc4)Br C01[X(C25H30Br1N4O2)] 180 C01 555 CC[C@@H](c1ccc(cc1)C)NC(=O)C1CC[NH+](CC1)Cc1onc(n1)c1ccc(cc1)Br CC[C@@H]([C]1[CH][CH][C]([CH][CH]1)C)[NH][C](=O)[C@@H]1CC[NH](CC1)CC1=[N][C]([N]O1)[C]1[CH][CH][C]([CH][CH]1)Br CC[C@H](NC(=O)C1CC[NH](CC1)CC2=N[C]([N]O2)[C]3[CH][CH][C](Br)[CH][CH]3)[C]4[CH][CH][C](C)[CH][CH]4 InChIKey=IZXWHXUAHUYWOY-QFIPXVFZSA-N InChI=1S/C25H30BrN4O2/c1-3-22(18-6-4-17(2)5-7-18)27-25(31)20-12-14-30(15-13-20)16-23-28-24(29-32-23)19-8-10-21(26)11-9-19/h4-11,20,22,30H,3,12-16H2,1-2H3,(H,27,31)/t22-/m0/s1 InChI=1/C25H30BrN4O2/c1-3-22(18-6-4-17(2)5-7-18)27-25(31)20-12-14-30(15-13-20)16-23-28-24(29-32-23)19-8-10-21(26)11-9-19/h4-11,20,22,30H,3,12-16H2,1-2H3,(H,27,31)/t22-/m0/s1/f/h27H 3331.8379093591 -3901.383605 1-A 37919.6189 129 426 555 |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|A|A|A|A|A|A|A|A|A|A|A|A| -490.13564 -64.54711 -58.68664 -58.68470 -58.68461 -20.80379 -20.62616 -15.86692 -15.74917 -15.71109 -15.68617 -11.50270 -11.47561 -11.45400 -11.45271 -11.45050 -11.43979 -11.38411 -11.38225 -11.38205 -11.38119 -11.35287 -11.35052 -11.33998 -11.33858 -11.32972 -11.32938 -11.30490 -11.30434 -11.30301 -11.30173 -11.29688 -11.29485 -11.29191 -11.28750 -11.28048 -9.79554 -7.54494 -7.53584 -7.53572 -3.28397 -3.27958 -3.27942 -3.26888 -3.26887 -1.68209 -1.51052 -1.49629 -1.40255 -1.33949 -1.32418 -1.26671 -1.25757 -1.22648 -1.21487 -1.17672 -1.16070 -1.15133 -1.12138 -1.10710 -1.08679 -1.08153 -1.06666 -1.04541 -1.03491 -1.00266 -0.98419 -0.97569 -0.96455 -0.92820 -0.91379 -0.91063 -0.90550 -0.88506 -0.87722 -0.87157 -0.86329 -0.85618 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1437.2194 1444.9225 1452.8128 1458.8459 1464.6561 1474.1245 1482.4036 1495.0896 1520.4429 1525.2441 1528.2536 1534.4006 1539.6311 1557.3483 1565.3853 1568.1991 1569.1075 1573.3069 1583.2028 1585.5554 1610.1706 1625.2651 1631.2939 1632.3849 1633.1145 1638.6894 1639.1986 1642.8980 1643.9083 1650.0734 1657.4709 1668.4300 1694.8923 1713.5957 1743.3283 1772.4948 1774.0298 1802.9011 1824.6512 1869.0398 1935.2728 3201.4072 3207.2345 3208.9206 3210.7077 3241.0679 3244.2562 3252.2286 3262.8171 3264.2987 3270.1991 3274.4129 3278.6757 3278.8817 3285.7927 3289.0371 3293.1261 3310.8427 3328.0200 3339.8401 3342.0444 3354.3203 3357.9512 3364.5362 3376.9638 3397.0125 3401.7312 3415.7982 3417.3622 3663.8402 3870.3793 5.7744 5.5481 5.4498 2.6639 3.9426 1.2557 5.0861 4.5371 5.0540 7.2942 5.9541 3.1475 4.7504 2.5044 3.1672 3.6788 5.5035 5.3175 5.2756 2.4233 2.1835 3.6681 2.7394 2.9302 3.1885 4.4461 4.5461 3.9017 2.9199 3.3118 3.4553 3.0581 6.6479 3.7511 2.9016 2.9245 2.2065 2.9472 5.0549 2.9810 1.9732 2.1885 2.6883 3.3082 3.6724 3.1113 3.3853 7.0876 6.7926 4.8055 5.6612 4.0133 3.2744 3.5751 4.2169 4.5542 1.8774 3.1270 2.9184 2.5157 1.9257 3.1437 1.5526 2.6335 1.2513 1.2477 1.6186 2.2045 2.2194 2.6212 2.3531 2.5815 2.6966 4.8656 1.4804 2.7560 1.5311 1.3771 2.0936 4.1433 1.3933 2.8966 2.1212 1.3719 2.4956 4.2048 3.6529 1.5466 4.0348 2.6227 1.7432 1.9618 1.9100 3.0705 2.2063 2.1946 2.2957 1.3943 3.8307 2.3702 1.1599 1.1728 2.9150 1.6887 2.1320 1.4417 1.2523 1.3060 1.2208 1.3165 2.0370 1.3283 1.3216 2.0124 1.2670 1.2730 1.2574 1.4483 1.8853 1.5771 1.5542 1.6822 1.4581 2.4599 1.2676 1.2937 1.6600 1.3680 1.9143 1.2763 1.1098 1.0781 1.1008 1.0518 1.0979 1.0928 1.0466 1.0938 1.0753 1.0947 2.4187 2.4497 1.9784 7.4028 5.3766 7.8813 5.4703 5.5064 10.5671 8.9933 1.0679 1.0383 1.0390 1.0865 1.0619 1.0625 1.0966 1.1013 1.0630 1.0667 1.1028 1.1012 1.0662 1.1031 1.1028 1.1029 1.0875 1.1105 1.1094 1.0882 1.1070 1.0893 1.0954 1.0957 1.0912 1.0906 1.0963 1.0968 1.0784 1.0786 0.0001 0.0003 0.0006 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12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 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 9109.6234 65383.6516 72236.3816 0.99992 0.01194 -0.00285 -0.01191 0.99987 0.01052 0.00298 -0.01049 0.99994 1 0.00951 0.00132 0.00120 0.19811 0.02760 0.02498 8.00 14.21 20.01 31.90 35.68 47.75 50.29 61.25 76.59 88.96 100.39 117.58 142.14 153.79 198.69 226.35 228.45 258.01 294.78 299.55 348.00 361.51 369.22 387.25 398.19 413.10 460.47 465.27 497.56 522.66 539.60 554.02 581.97 637.41 657.20 657.54 671.70 696.44 719.82 723.62 754.32 772.78 805.73 812.63 850.26 889.49 912.62 994.35 1013.14 1045.82 1120.22 1136.54 1153.70 1163.64 1174.82 1186.90 1207.36 1221.39 1224.45 1240.84 1266.88 1316.09 1329.96 1349.73 1371.87 1377.90 1384.72 1434.16 1439.37 1478.34 1479.41 1507.69 1517.10 1530.01 1557.86 1561.75 1571.63 1580.85 1587.96 1599.46 1606.63 1607.24 1613.02 1618.58 1645.54 1651.23 1665.15 1689.40 1691.55 1708.98 1725.31 1727.63 1735.28 1745.89 1752.95 1783.64 1802.48 1822.34 1852.39 1879.02 1885.50 1891.24 1897.74 1910.19 1931.39 1945.63 1987.22 2030.45 2049.96 2067.84 2078.92 2090.27 2098.95 2107.31 2120.94 2132.85 2151.10 2187.58 2194.49 2198.82 2207.66 2215.19 2240.68 2252.24 2256.29 2257.60 2263.64 2277.88 2281.26 2316.68 2338.39 2347.07 2348.64 2349.69 2357.71 2358.44 2363.76 2365.22 2374.09 2384.73 2400.50 2438.57 2465.48 2508.26 2550.22 2552.43 2593.97 2625.27 2689.13 2784.43 4606.11 4614.50 4616.92 4619.49 4663.17 4667.76 4679.23 4694.47 4696.60 4705.09 4711.15 4717.28 4717.58 4727.52 4732.19 4738.07 4763.56 4788.28 4805.28 4808.46 4826.12 4831.34 4840.82 4858.70 4887.54 4894.33 4914.57 4916.82 5271.45 5568.61 0.560480 0.589290 0.590234 0.491522 -3900.823125 -3900.794315 -3900.793371 -3900.892083 3.310817D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE CC[C@@H](c1ccc(cc1)C)NC(=O)C2CC[NH+](CC2)Cc3nc(no3)c4ccc(cc4)Br C30979683 RHF 6-31G(d) (6D,10F) C1 497.155213 |X|Y|Z| 67.263646 28.417413 180.523834 70.140119 27 6 7 8 22 4 1 |36.858105| |12.465309|36.858105| |7.430863|12.421219|36.858105| |7.008096|8.916436|17.651946|0.500000| |4.862163|7.454738|12.523425|0.249406|36.858105| |3.896301|5.205231|7.560414|0.206643|13.748987|36.858105| |3.091318|3.948872|5.006701|0.134070|7.892471|13.724690|36.858105| |2.874066|3.693446|4.390736|0.110770|6.760916|7.884822|13.742854|36.858105| |3.212641|4.310313|4.989034|0.116687|7.891629|6.916601|8.003659|13.673283|36.858105| |4.142377|6.118879|7.476766|0.155422|13.675558|7.998140|6.916236|7.884201|13.791886|36.858105| |2.350238|2.878041|3.256851|0.084525|4.401409|5.003256|7.536907|12.609712|7.545263|5.012515|36.858105| |6.285599|7.747048|12.966168|0.259437|7.726277|5.510617|4.103970|3.767874|4.319674|6.052301|2.918010|53.358707| |4.805267|5.214517|7.727044|0.209015|5.805698|4.919855|3.791725|3.390695|3.660332|4.633230|2.710089|19.372540|36.858105| |4.338233|4.594472|6.720871|0.217187|5.373236|5.119014|3.895963|3.317065|3.396098|4.110775|2.677021|11.508078|15.834590|73.516695| |3.790516|3.932321|4.968364|0.130871|4.200337|3.674449|3.081734|2.886243|3.133188|3.756743|2.406564|10.612959|12.445812|14.371397|36.858105| |3.485855|3.354856|3.956142|0.110665|3.307328|3.011188|2.566643|2.386076|2.532331|2.952523|2.043114|7.369428|7.638215|11.770494|12.418796|36.858105| |2.783671|2.699955|3.063509|0.084459|2.700156|2.497865|2.210832|2.098619|2.219412|2.507723|1.843506|5.357114|4.931070|7.929443|7.500541|12.516203|36.858105| |2.438369|2.447570|2.831229|0.078044|2.614578|2.479586|2.243918|2.135943|2.225519|2.452593|1.898437|4.812671|4.436557|7.420828|6.451674|7.649848|12.637219|53.358707| |2.400759|2.409043|2.821686|0.079509|2.615379|2.535899|2.291178|2.146030|2.198275|2.409469|1.909025|4.692063|4.433396|7.889608|5.937628|7.195896|9.290251|25.636167|0.500000| |2.523793|2.631275|3.115208|0.083497|2.968333|2.785784|2.541739|2.453960|2.583627|2.838459|2.165095|5.407830|4.937258|7.859038|7.505022|6.514798|7.670722|17.175698|0.258441|36.858105| |3.005871|3.222086|4.067895|0.108474|3.846579|3.567836|3.139058|2.960819|3.126506|3.544913|2.516965|7.495254|7.655628|11.548467|12.406887|7.589120|6.515256|10.418427|0.200503|12.519611|36.858105| |2.074915|2.072338|2.327783|0.064018|2.185773|2.088792|1.931366|1.862940|1.934428|2.091108|1.690730|3.806614|3.302859|5.595770|4.359557|4.982621|7.676042|17.372503|0.260107|7.623919|4.971057|36.858105| |1.860190|1.883532|2.125666|0.058772|2.048017|1.998977|1.882974|1.817267|1.857109|1.966853|1.673755|3.380009|2.902604|5.058622|3.604764|3.865426|5.025192|10.545410|0.207636|6.264794|4.361919|12.739176|36.858105| |1.680880|1.710186|1.907191|0.052416|1.862263|1.821550|1.741244|1.700211|1.735950|1.814503|1.587872|2.983784|2.491906|4.324288|3.007076|3.124275|3.881265|7.187641|0.139553|4.857041|3.578242|7.673104|15.064668|53.358707| |1.585332|1.621420|1.816374|0.050333|1.795104|1.786305|1.725069|1.675696|1.685412|1.741532|1.579893|2.790607|2.329041|4.131647|2.712164|2.785866|3.274309|5.882587|0.122966|4.105488|3.254964|5.382027|9.248256|18.694562|36.858105| |1.664782|1.702801|1.931023|0.054104|1.905459|1.917699|1.842724|1.764744|1.757794|1.821560|1.654226|2.961327|2.518329|4.566109|2.901792|3.007378|3.457357|6.338647|0.142847|4.321287|3.536642|5.338832|8.842944|11.621408|14.837512|53.358707| |1.865570|1.895173|2.167043|0.060801|2.099541|2.088680|1.968860|1.872908|1.883889|1.986778|1.725327|3.401601|2.971150|5.363933|3.560767|3.816245|4.596964|9.374627|0.224815|5.716400|4.401538|7.956557|14.573715|11.969659|9.054891|18.707609|73.516695| |1.422462|1.459068|1.617848|0.044732|1.615299|1.614463|1.579630|1.547089|1.549810|1.582036|1.480075|2.445468|1.999532|3.546595|2.271631|2.300719|2.628036|4.441043|0.091828|3.207292|2.666381|3.878467|5.481727|10.339086|12.970587|10.665696|9.573665|36.858105| |1.346661|1.384692|1.536117|0.042726|1.545186|1.563509|1.542280|1.504744|1.490091|1.508681|1.452205|2.288985|1.864778|3.351815|2.068241|2.085352|2.313790|3.820053|0.080839|2.778652|2.412376|3.165239|4.205475|6.891233|7.672339|8.964540|7.995198|13.677154|36.858105| |1.232745|1.268338|1.394664|0.038707|1.409269|1.426701|1.417855|1.392417|1.377590|1.385294|1.357229|2.058370|1.654073|2.964562|1.812986|1.818153|1.994859|3.199071|0.066931|2.349032|2.078648|2.617677|3.280047|5.280987|5.081993|6.071282|6.043248|7.927815|13.808610|36.858105| |1.189048|1.221934|1.333251|0.036788|1.345331|1.350854|1.342617|1.329232|1.325296|1.332846|1.297720|1.970825|1.569732|2.784113|1.728924|1.730700|1.911812|3.029217|0.062161|2.233539|1.962252|2.511555|3.072715|5.073291|4.506026|5.123713|5.396297|6.904733|7.978233|13.737369|36.858105| |1.238711|1.270548|1.383772|0.037995|1.389048|1.381592|1.365463|1.356637|1.365192|1.380886|1.316186|2.064945|1.644865|2.888083|1.839042|1.844411|2.073349|3.303507|0.066592|2.432415|2.087373|2.817494|3.464958|6.037756|5.086854|5.367266|5.791762|7.926163|6.857269|7.897316|13.776199|36.858105| |1.354819|1.387955|1.522098|0.041788|1.519142|1.505227|1.476022|1.460314|1.474839|1.503418|1.402642|2.298824|1.852369|3.243908|2.108066|2.126177|2.439935|4.004069|0.080299|2.921305|2.427283|3.541011|4.622648|8.907061|7.704643|7.077078|7.446765|13.716211|7.914105|6.859668|7.980248|13.769916|36.858105| |1.067654|1.097135|1.186568|0.032724|1.201704|1.208601|1.208916|1.202556|1.196781|1.196210|1.185226|1.734858|1.365182|2.421556|1.482435|1.478890|1.609685|2.485179|0.050893|1.840261|1.654409|2.017324|2.358260|3.724248|3.114863|3.747930|4.151414|4.099293|4.614139|6.711156|10.089150|6.715589|4.612525|2539.412838| |17.566771|8.814321|5.448047|0.142446|4.048975|3.337337|2.757678|2.619411|2.931470|3.656147|2.188689|6.463442|3.802038|6.185863|3.181078|2.980043|2.470833|2.963756|0.059313|2.243559|2.599182|1.890647|1.702537|2.113932|1.465552|2.080760|3.019896|1.325360|1.256501|1.157073|1.120715|1.167381|1.270043|34.450336|0.500000| |17.548536|8.779698|6.764051|0.208901|4.553245|3.894413|3.062951|2.764855|2.980832|3.725094|2.277057|7.593331|4.665899|8.040175|3.613240|3.439278|2.726259|3.264146|0.066680|2.441541|2.908697|2.039144|1.839671|2.254266|1.573659|2.267647|3.317775|1.410781|1.342670|1.227661|1.178601|1.222361|1.336137|36.011456|0.301933|0.500000| |17.556099|8.743489|6.667220|0.171815|4.423398|3.559712|2.866173|2.691349|3.020901|3.864467|2.221850|9.392951|5.358164|8.169889|4.373220|4.086217|3.196407|3.688935|0.073216|2.778190|3.295963|2.284282|2.009729|2.454118|1.682004|2.397936|3.550315|1.498057|1.407180|1.282820|1.239645|1.298708|1.428622|37.685544|0.302072|0.301654|0.500000| |8.858549|17.566273|8.954650|0.211422|7.088322|5.349549|4.136612|3.844242|4.379942|5.902546|3.002935|7.682589|4.227940|7.024275|3.284147|2.864556|2.363148|2.968904|0.060151|2.336418|2.815242|1.873832|1.727475|2.151331|1.512240|2.162896|3.108526|1.372015|1.311630|1.207647|1.162547|1.202571|1.305489|35.732355|0.213867|0.210673|0.172726|0.500000| |8.841429|17.513795|8.811112|0.174242|6.683728|4.596380|3.705291|3.670697|4.532825|6.557479|2.889853|9.590203|4.731133|7.127304|3.824572|3.206477|2.648662|3.277752|0.064838|2.626897|3.164700|2.058314|1.866192|2.323167|1.608147|2.276234|3.298720|1.452369|1.372226|1.260604|1.221399|1.275297|1.391588|37.377564|0.213005|0.172829|0.209767|0.304957|0.500000| |3.904207|4.877689|7.032908|0.230210|8.927362|17.709338|8.934196|5.632779|4.974121|5.666498|4.088879|7.130872|5.012801|10.155572|3.659016|3.100944|2.539263|3.417049|0.072521|2.752701|3.522111|2.105099|2.016543|2.482658|1.798216|2.655751|3.792018|1.618548|1.574000|1.431585|1.348081|1.374038|1.499020|40.973009|0.091905|0.113820|0.098956|0.138956|0.114784|0.500000| |2.734908|3.336551|4.096588|0.115105|5.637237|8.940099|17.706464|8.924663|5.667984|4.973686|6.977339|4.725001|3.341703|6.306289|2.775933|2.375797|2.070480|2.887517|0.060828|2.371119|2.873041|1.842984|1.819000|2.297186|1.691333|2.473415|3.416621|1.557228|1.535439|1.415051|1.332948|1.345652|1.448414|40.968055|0.068473|0.076764|0.070776|0.097504|0.086403|0.216905|0.500000| |2.887112|3.739904|4.075825|0.096459|5.631904|4.973084|5.670790|8.903463|17.696984|8.956116|7.003903|5.045041|3.181152|5.199968|2.841486|2.325943|2.081726|2.848098|0.056911|2.431031|2.853517|1.846686|1.776937|2.284402|1.625393|2.283602|3.174527|1.506609|1.446287|1.345356|1.302702|1.344764|1.445893|40.237374|0.074870|0.073782|0.076316|0.105040|0.113189|0.107856|0.124303|0.500000| |4.379698|6.476707|6.889932|0.139675|8.864807|5.659005|4.972633|5.636603|8.985982|17.689940|4.101933|8.341038|4.489696|6.785346|3.794464|2.981034|2.551672|3.341764|0.065937|2.837766|3.471292|2.105035|1.955010|2.461290|1.716175|2.419763|3.460640|1.559261|1.476063|1.357661|1.315068|1.371148|1.493819|40.196443|0.109286|0.104498|0.115727|0.163807|0.222968|0.124067|0.107843|0.218177|0.500000| |2.277126|2.773684|3.021713|0.078685|3.961029|4.381820|6.091788|8.853582|6.446059|4.514835|17.539798|3.633729|2.453457|4.305512|2.182296|1.880435|1.701327|2.361221|0.048366|1.951642|2.241239|1.556439|1.535431|1.988647|1.451296|2.060543|2.803264|1.365669|1.341195|1.260062|1.209212|1.225929|1.300584|37.829680|0.059766|0.061269|0.059232|0.082104|0.077652|0.101987|0.160492|0.176798|0.106095|0.500000| |2.213092|2.680182|3.007893|0.077170|3.939920|4.222450|5.711413|8.833878|6.948996|4.661334|17.561501|3.801219|2.606922|4.507051|2.377277|2.009859|1.837832|2.596289|0.052886|2.199905|2.521701|1.711020|1.700329|2.211882|1.614284|2.282371|3.094257|1.519397|1.487011|1.393645|1.338294|1.360408|1.447208|41.630453|0.057485|0.059024|0.058924|0.076187|0.076205|0.097605|0.145727|0.204455|0.110762|0.302312|0.500000| |2.196674|2.631844|3.009998|0.080344|3.939058|4.719822|7.171703|8.836795|5.590416|4.176279|17.582103|3.703769|2.597368|4.665290|2.313320|1.988293|1.800554|2.546571|0.052767|2.119466|2.452794|1.670712|1.670830|2.158945|1.594351|2.287028|3.092952|1.497846|1.482084|1.385889|1.317084|1.326828|1.410921|40.963680|0.056682|0.059999|0.057888|0.076068|0.072139|0.112509|0.217992|0.141387|0.096340|0.302106|0.301614|0.500000| |5.797125|7.096807|8.988154|0.181059|6.594533|4.685463|3.728644|3.614262|4.331833|6.079178|2.845895|26.053627|9.460117|10.868018|7.467759|5.106771|3.919206|4.765977|0.091989|4.021538|5.332769|2.812746|2.474257|3.000516|2.037592|2.899268|4.336128|1.792250|1.665240|1.502587|1.449829|1.529010|1.701945|43.481677|0.128705|0.134925|0.183903|0.144258|0.209989|0.119389|0.087586|0.106995|0.190271|0.072673|0.077188|0.072708|0.500000| |3.846534|4.006160|4.772235|0.119160|4.059414|3.420286|2.918648|2.823520|3.165225|3.831540|2.365387|10.263888|8.772950|10.444820|17.522787|8.843752|6.723610|7.648735|0.135556|6.734412|8.838767|4.116748|3.364885|3.927153|2.561136|3.627842|5.694771|2.176049|1.967618|1.741914|1.681834|1.803142|2.057895|49.365559|0.091187|0.097853|0.126083|0.091646|0.113495|0.091866|0.072276|0.081388|0.112619|0.059997|0.065637|0.062268|0.240426|0.500000| |3.892234|3.549924|3.992517|0.111648|3.212365|2.874610|2.435029|2.272879|2.435231|2.871394|1.946142|7.328043|6.795145|10.347718|8.779972|17.570710|8.992506|7.601503|0.145617|4.893925|5.507435|4.147902|3.269783|3.715767|2.443623|3.537291|5.676782|2.061481|1.879507|1.659933|1.591492|1.694476|1.930825|46.822248|0.092298|0.106198|0.132565|0.083110|0.093982|0.082244|0.062429|0.062393|0.081860|0.050308|0.052980|0.052312|0.143092|0.215482|0.500000| |3.348693|3.217914|3.862953|0.113349|3.256328|3.072614|2.607324|2.371273|2.458633|2.833605|2.035160|6.762022|7.258199|13.451163|8.872816|17.573615|8.856702|9.330038|0.210066|5.672148|6.785454|4.618180|3.789472|4.140254|2.794119|4.229178|7.028933|2.302772|2.117491|1.838015|1.729308|1.822452|2.094821|50.261446|0.079312|0.095166|0.105619|0.077832|0.083273|0.090519|0.068026|0.062145|0.077606|0.051980|0.055111|0.055655|0.123435|0.174219|0.303899|0.500000| |2.741807|2.663135|2.947935|0.079345|2.611616|2.375263|2.119802|2.047642|2.198448|2.485081|1.805635|5.166724|4.461290|6.891761|6.712245|8.747142|17.602864|12.416761|0.181698|7.050393|5.755612|7.076959|4.624565|5.118882|3.097680|4.285386|7.137509|2.536128|2.212421|1.929758|1.877396|2.058789|2.414202|54.095073|0.068476|0.073052|0.088237|0.064506|0.074180|0.065983|0.054779|0.057986|0.071590|0.046466|0.050375|0.048595|0.109724|0.195660|0.213616|0.172674|0.500000| |2.583771|2.456368|2.732062|0.076627|2.409517|2.260302|2.012201|1.902820|1.993078|2.231263|1.687914|4.583981|4.101478|6.928923|5.471929|8.804722|17.625111|12.354508|0.222949|5.603681|4.890993|7.224893|4.831307|5.109581|3.195572|4.609931|7.961785|2.575446|2.277242|1.966552|1.882930|2.036921|2.389626|54.066819|0.064461|0.071351|0.081833|0.060479|0.066438|0.064512|0.052897|0.052067|0.062840|0.043568|0.046582|0.046034|0.092057|0.138246|0.213287|0.214939|0.300955|0.500000| |2.497189|2.600850|2.997611|0.078650|2.853019|2.618899|2.405125|2.371978|2.549389|2.805761|2.102563|5.221405|4.475026|6.856273|6.738249|5.776672|7.070459|12.421350|0.181936|17.604667|8.751944|7.030676|5.518416|6.275463|3.760551|5.102770|8.331407|3.035675|2.601571|2.239684|2.174313|2.403125|2.869389|61.493314|0.062313|0.066000|0.076986|0.063874|0.073657|0.070782|0.061817|0.067737|0.079824|0.052988|0.059888|0.056540|0.112838|0.196770|0.129685|0.132544|0.215122|0.144724|0.500000| |2.253793|2.370680|2.794268|0.075408|2.748501|2.645763|2.476011|2.401386|2.484214|2.653636|2.158451|4.637887|4.106326|6.845588|5.474326|4.886450|5.601046|12.320635|0.222772|17.642969|8.811743|7.147495|7.235028|7.785101|4.949883|7.117157|12.041810|3.761455|3.219717|2.666422|2.508733|2.733139|3.341478|68.968095|0.056188|0.060972|0.067653|0.059509|0.065705|0.072561|0.065021|0.065324|0.072758|0.053786|0.061371|0.059289|0.095005|0.138525|0.107717|0.127213|0.144508|0.126419|0.300838|0.500000| |2.891505|3.089566|3.967713|0.110688|3.802822|3.717375|3.265497|2.980693|3.034732|3.383056|2.542180|6.853303|7.257296|13.072424|8.856957|6.786564|5.683050|9.355362|0.211410|8.860686|17.566366|4.615925|4.297015|4.754882|3.311866|5.116002|8.320577|2.702387|2.493210|2.131865|1.979845|2.075512|2.405756|56.700933|0.069312|0.079776|0.086309|0.076388|0.082176|0.105380|0.084781|0.075876|0.089234|0.062620|0.069841|0.070096|0.127599|0.174026|0.138871|0.198103|0.132376|0.127625|0.172721|0.214748|0.500000| |2.954737|3.295510|4.198623|0.107965|4.225840|3.876268|3.484654|3.370545|3.610877|4.047037|2.840024|7.548341|6.822844|10.104154|8.772063|5.506779|4.889929|7.600479|0.145998|8.989716|17.570130|4.133674|3.806997|4.473143|3.035526|4.400663|6.772235|2.558606|2.333691|2.035721|1.931768|2.049500|2.355600|55.867016|0.071446|0.078270|0.088309|0.080529|0.091709|0.102195|0.087026|0.091614|0.109353|0.069151|0.080128|0.076085|0.154734|0.215127|0.123101|0.138929|0.129098|0.107717|0.213088|0.213810|0.303956|0.500000| |2.043010|2.046584|2.269007|0.061484|2.138299|2.018187|1.875624|1.834181|1.926701|2.080733|1.669572|3.720259|3.134611|5.172135|4.156091|4.529358|6.773172|12.286853|0.181309|7.108070|4.626603|17.659721|8.965026|9.696370|4.818122|6.076601|10.368677|3.682175|2.972865|2.515398|2.474376|2.831784|3.541237|68.214243|0.052082|0.055104|0.062689|0.051303|0.057230|0.055830|0.049410|0.051599|0.058895|0.042802|0.047259|0.045509|0.078103|0.115320|0.108685|0.111770|0.204619|0.170106|0.216393|0.182126|0.113922|0.111594|0.500000| |2.021400|1.984318|2.200363|0.061126|2.042122|1.956433|1.802326|1.729676|1.791031|1.940602|1.572592|3.553753|3.062170|5.266676|3.905992|4.757113|7.358329|12.372870|0.218808|5.585169|4.157406|17.607554|8.996922|8.518519|4.727974|6.485029|11.977623|3.543424|2.953873|2.473045|2.375305|2.643687|3.260225|65.701949|0.051409|0.055595|0.061949|0.049985|0.054435|0.055234|0.047978|0.047461|0.054314|0.040489|0.043960|0.043231|0.072428|0.102329|0.114548|0.125578|0.183860|0.231754|0.145726|0.143816|0.110405|0.096832|0.300453|0.500000| |1.381216|1.421009|1.586592|0.044424|1.597362|1.630358|1.607208|1.554403|1.527458|1.546730|1.497567|2.355755|1.934006|3.519993|2.125605|2.148281|2.353594|3.899167|0.084565|2.820399|2.492112|3.144488|4.165710|6.355460|7.066003|10.001859|8.518264|8.886442|17.742349|8.957464|5.667321|4.945773|5.634211|130.555529|0.035679|0.038449|0.039987|0.037448|0.038889|0.045888|0.044699|0.040926|0.041766|0.038330|0.042373|0.042699|0.047211|0.055474|0.053523|0.061454|0.061572|0.064469|0.071867|0.090862|0.073000|0.066582|0.080147|0.081903|0.500000| |1.183562|1.218706|1.338708|0.037276|1.357521|1.383300|1.381056|1.353517|1.330560|1.332215|1.326639|1.959114|1.569359|2.830600|1.698416|1.700662|1.840434|2.915028|0.061457|2.143407|1.935080|2.336769|2.858710|4.425653|4.127927|5.259533|5.370277|5.638994|8.926551|17.762796|8.912836|5.634784|4.948655|220.395773|0.030901|0.032838|0.034059|0.032379|0.033565|0.038648|0.038512|0.036070|0.036135|0.034277|0.037758|0.037812|0.039579|0.045212|0.043309|0.048051|0.049282|0.050499|0.056570|0.066969|0.055546|0.052810|0.062130|0.061810|0.215529|0.500000| |1.193091|1.222332|1.321985|0.036176|1.326177|1.312975|1.298676|1.297015|1.311130|1.325465|1.261036|1.969455|1.555780|2.716065|1.737048|1.739428|1.953176|3.058707|0.061009|2.258788|1.947936|2.601409|3.082572|5.260179|4.133863|4.493465|5.067128|5.639557|4.947360|5.633032|8.924791|17.762298|8.912438|220.430189|0.031358|0.032611|0.034753|0.032159|0.034211|0.036158|0.035465|0.036048|0.036728|0.032748|0.036283|0.035184|0.040709|0.047746|0.044748|0.047427|0.054479|0.053317|0.062947|0.069447|0.053321|0.053374|0.074006|0.068223|0.107462|0.124133|0.500000| 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