Version2.1 2020-12-18T16:40:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C1CCc2c(c(c(s2)NC(=O)C[NH2+]CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N)C(=O)N)C1 C39220969 RHF 6-31G(d) (6D,7F) C1CCc2c(c(c(s2)NC(=O)C[NH2+]CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N)C(=O)N)C1 C01[X(C22H28N5O4S2)] 177 C1 559 O=C(Nc1sc2c(c1C(=O)N)CCCC2)C[NH2+]CC(=O)Nc1sc2c(c1C(=O)N)CCCC2 O=C(Nc1sc2c(c1C(=O)N)CCCC2)C[NH2+]CC(=O)Nc1sc2c(c1C(=O)N)CCCC2 NC(=O)c1c2CCCCc2sc1NC(=O)C[NH2+]CC(=O)Nc3sc4CCCCc4c3C(N)=O InChIKey=OWYDVUAEZUWQQG-UHFFFAOYSA-O InChI=1S/C22H27N5O4S2/c23-19(30)17-11-5-1-3-7-13(11)32-21(17)26-15(28)9-25-10-16(29)27-22-18(20(24)31)12-6-2-4-8-14(12)33-22/h25H,1-10H2,(H2,23,30)(H2,24,31)(H,26,28)(H,27,29)/p+1 InChI=1/C22H27N5O4S2/c23-19(30)17-11-5-1-3-7-13(11)32-21(17)26-15(28)9-25-10-16(29)27-22-18(20(24)31)12-6-2-4-8-14(12)33-22/h25H,1-10H2,(H2,23,30)(H2,24,31)(H,26,28)(H,27,29)/p+1/fC22H28N5O4S2/h25-27H,23-24H2/q+1 C1CCc2c(c(c(s2)NC(=O)C[NH2+]CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N)C(=O)N)C1 C01[X(C22H28N5O4S2)] 177 C01 559 O=C(Nc1sc2c(c1C(=O)N)CCCC2)C[NH2+]CC(=O)Nc1sc2c(c1C(=O)N)CCCC2 O=[C]([NH][C]1SC2=[C]([C]=1[C]([O])[NH2])CCCC2)C[NH2]C[C]([NH][C]1SC2=[C]([C]=1[C]([O])[NH2])CCCC2)=O N[C]([O])c1c2CCCCc2sc1NC(=O)C[NH2]CC(=O)Nc3sc4CCCCc4c3[C](N)[O] InChIKey=BWMIBTWIJLCLFC-UHFFFAOYSA-N InChI=1S/C22H28N5O4S2/c23-19(30)17-11-5-1-3-7-13(11)32-21(17)26-15(28)9-25-10-16(29)27-22-18(20(24)31)12-6-2-4-8-14(12)33-22/h1-10,25H2,(H2,23,30)(H2,24,31)(H,26,28)(H,27,29) InChI=1/C22H28N5O4S2/c23-19(30)17-11-5-1-3-7-13(11)32-21(17)26-15(28)9-25-10-16(29)27-22-18(20(24)31)12-6-2-4-8-14(12)33-22/h1-10,25H2,(H2,23,30)(H2,24,31)(H,26,28)(H,27,29)/f/h26-27H,23-24H2 3495.3200895050 -2216.0134344 1-A 38187.8315 129 430 559 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6.4622 6.8025 6.8025 6.7841 6.7844 6.8782 6.8783 6.9348 6.9349 6.6968 6.7142 7.2898 7.3005 7.9755 8.4515 8.4529 8.4478 9.1641 9.1647 10.3633 10.3641 0.3999 0.4616 0.0014 0.2100 1.4930 0.8640 0.1247 0.4141 4.2165 22.2044 14.3425 1.9486 8.8668 0.0946 17.1214 0.2464 3.2749 0.9426 4.3532 0.1970 9.4346 7.6295 7.3750 10.3941 11.3220 58.3202 23.3867 10.6127 32.6710 160.9379 100.3786 61.2668 45.0576 63.4652 2.2344 3.0860 3.9494 4.0471 67.3087 1.1290 127.6202 0.0429 8.0710 7.7527 1.6425 5.7993 2.8236 16.7420 3.0451 3.6043 19.6903 19.1447 8.9295 5.9117 8.2770 23.9058 38.5833 24.5704 25.1697 11.4818 0.2349 0.6386 8.9347 23.5904 6.9433 137.0253 69.1380 5.4851 3.5986 3.1960 1.7806 6.5599 1.0414 16.1378 0.5181 0.1015 5.4841 2.7037 0.1103 19.1308 3.4173 150.1165 0.2373 5.5325 0.0028 7.6034 2.8259 0.9719 0.0139 1.2173 0.3505 4.0373 0.3443 0.1306 11.0104 11.3192 1.7089 0.7026 1.4860 0.7456 0.0983 3.4315 4.6487 12.7856 0.0241 54.4331 6.6557 124.9304 22.4593 29.0024 295.6040 3.5913 297.2518 0.1491 0.2283 49.0028 36.3936 497.5532 6.1676 189.0339 9.9870 3.8684 18.9672 215.6730 15.6411 290.9549 120.8218 26.5865 102.3757 47.5412 79.3953 54.0208 38.3741 133.2056 12.5322 17.0722 4.8193 4.5917 961.5209 25.6669 1152.7585 31.9164 272.2537 145.1909 49.6845 412.3966 154.7102 531.9605 167.0468 37.9320 43.5940 30.8380 12.3110 30.6870 9.1045 25.0783 29.7364 2.0412 61.2432 21.0606 23.1726 104.6525 17.3234 6.9886 101.5439 6.6605 0.0001 0.5257 0.2072 84.9283 286.8897 376.1477 297.5817 149.4871 61.4016 100.9706 101.1796 1.0443 5.7821 1.3856 0.7620 0.5104 0.6511 1.2813 0.4211 1.1024 0.3222 0.4511 1.2839 0.0049 0.5062 0.0781 0.8033 0.1037 1.0414 0.3805 0.8475 0.2127 0.6137 0.0113 1.1379 0.1188 0.2317 0.2767 1.0161 0.2695 0.6201 0.6193 0.5972 0.6534 0.4246 1.5995 3.3853 2.1924 4.8201 0.9564 0.5142 1.4740 7.8122 2.7140 3.8860 1.1556 0.0245 2.8226 13.0894 2.2753 2.5219 1.2257 8.4628 3.6661 7.3780 0.2264 12.0297 1.3386 2.4787 1.1507 3.1010 10.9195 13.8453 0.3612 0.1619 2.5178 4.0676 3.5375 0.5874 4.6533 0.0590 1.8826 0.5459 9.7846 1.5855 0.9085 0.7905 34.2713 4.1983 10.6787 2.3750 5.0545 0.4309 13.5397 8.3323 3.6607 4.6593 29.2604 1.9636 6.7437 2.6391 5.6779 2.2550 2.2660 0.2914 20.6451 8.8386 3.3531 0.6223 25.4549 4.3653 5.7446 3.6340 3.7977 2.3467 19.8615 6.1098 19.2440 27.0194 20.3232 2.5091 13.1506 69.8864 2.1616 18.7974 3.4288 0.4610 93.0118 7.8422 11.0003 2.3629 0.8295 1.5582 149.8400 35.0129 82.6331 13.4611 14.5550 49.2112 22.3051 54.8582 112.8230 15.2994 31.5519 15.6655 16.0752 10.5360 2.8204 3.6800 42.4413 178.8771 6.8915 39.6451 8.8628 13.0781 5.8027 1.7840 6.6474 3.0616 140.0094 99.8400 86.4860 19.5907 169.0014 80.2183 200.7144 25.1624 27.0135 7.3659 139.6571 98.3883 108.7530 44.5623 325.2166 146.6558 71.0488 5.1375 119.5875 33.2651 26.7595 69.7745 14.5664 21.9375 119.5899 95.6968 162.8565 39.7937 39.5508 0.7500 0.7496 0.7499 0.7500 0.7500 0.7500 0.6690 0.4050 0.7500 0.7500 0.6393 0.2952 0.7097 0.3591 0.7500 0.6413 0.7500 0.3321 0.7500 0.7492 0.7500 0.0620 0.7500 0.7123 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0.8571 0.2983 0.8559 0.7561 0.8167 0.8571 0.4891 0.8571 0.3426 0.8558 0.5741 0.6570 0.8553 0.3638 0.8570 0.4211 0.3503 0.3538 0.3662 0.2866 0.7232 0.1666 0.7016 0.8114 0.8223 0.6289 0.5041 0.4773 0.8479 0.4555 0.6140 0.8287 0.8571 0.0348 0.8571 0.8173 0.1719 0.8571 0.5901 0.1763 0.5522 0.1504 0.8476 0.8454 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 61 6 6 6 6 6 6 6 16 7 6 8 6 7 1 1 6 6 8 7 6 6 6 6 16 6 6 6 6 6 8 7 6 8 7 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 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 14.00307 12.00000 15.99491 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 14.00307 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 5146.8016 66652.1770 67627.3085 1.00000 0.00000 0.00053 -0.00000 1.00000 -0.00002 -0.00053 0.00002 1.00000 1 0.01683 0.00130 0.00128 0.35065 0.02708 0.02669 12.16 15.57 20.46 59.17 59.93 77.59 89.64 104.05 107.08 135.55 148.69 159.41 160.72 172.08 189.18 213.35 217.67 244.30 287.28 289.10 303.03 325.57 378.75 389.10 399.97 413.08 452.67 482.37 483.43 510.49 511.92 526.22 526.32 551.40 556.62 582.99 587.74 588.42 595.38 637.71 650.65 722.98 726.37 805.76 808.55 850.51 852.87 877.07 878.22 902.63 910.42 921.51 926.01 969.10 995.60 1025.12 1032.96 1040.95 1049.41 1131.69 1179.02 1197.32 1205.09 1226.61 1226.78 1276.53 1278.08 1296.39 1304.11 1327.23 1328.23 1329.54 1347.79 1354.47 1456.50 1456.53 1486.62 1499.57 1499.78 1506.25 1522.22 1565.14 1585.01 1619.59 1619.84 1643.43 1648.08 1677.04 1677.81 1699.79 1743.91 1744.09 1748.63 1748.70 1781.83 1783.78 1825.91 1826.02 1863.94 1904.00 1904.01 1925.78 1945.37 2000.99 2003.54 2010.98 2013.11 2049.36 2056.60 2069.20 2083.32 2096.07 2147.87 2156.57 2168.44 2168.64 2173.39 2174.23 2187.19 2187.23 2209.75 2209.81 2233.69 2234.39 2263.18 2308.06 2339.77 2342.85 2344.51 2347.65 2352.83 2356.67 2357.92 2360.42 2365.47 2365.59 2385.46 2385.48 2529.43 2534.93 2566.96 2573.63 2587.64 2587.73 2652.75 2715.53 2716.06 2794.03 2798.70 4556.32 4556.35 4608.80 4608.81 4615.42 4615.44 4621.27 4621.27 4666.92 4666.94 4673.68 4673.79 4689.87 4689.91 4696.92 4696.93 4707.37 4712.63 4804.49 4806.26 5150.25 5210.13 5235.86 5236.03 5536.18 5536.34 5748.06 5748.25 0.539449 0.569371 0.570315 0.473884 -2215.473985 -2215.444063 -2215.443119 -2215.539550 3.234312D-04 MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE C1CCc2c(c(c(s2)NC(=O)C[NH2+]CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N)C(=O)N)C1 C39220969 RHF 6-31G(d) (6D,10F) C1 490.158273 |X|Y|Z| 42.936552 36.119438 187.188824 66.213929 25 6 7 16 20 3 2 |36.858105| |12.472594|36.858105| |7.582463|12.445282|36.858105| |6.798363|7.650860|12.642059|36.858105| |7.548496|6.627963|7.475149|14.172681|36.858105| |4.863759|4.412534|5.025744|8.182444|13.054414|36.858105| |3.969033|3.908917|4.836743|7.732288|8.174636|13.987504|36.858105| |4.212567|4.620348|6.754039|10.968715|7.401014|7.386665|11.054408|388.023441| |3.093065|3.038996|3.603889|4.960146|5.188360|7.823259|13.639169|49.288399|53.358707| |2.648545|2.676684|3.201543|4.106883|3.998517|5.176828|7.810026|42.838693|19.511779|36.858105| |2.595945|2.707849|3.331471|4.132467|3.762202|4.473678|6.563112|46.374149|11.426837|15.842866|73.516695| |2.231107|2.221614|2.556166|3.122622|3.137381|3.948931|5.065146|28.921342|10.770672|12.448514|14.409487|36.858105| |1.982790|2.014258|2.316147|2.722838|2.655363|3.153525|3.928833|25.059898|7.164342|7.865380|13.120110|12.825420|53.358707| |1.934035|1.980050|2.258984|2.638782|2.576350|3.036260|3.722955|23.948501|6.579925|6.727927|11.525162|9.138448|25.514606|0.500000| |2.042293|2.101901|2.460542|2.873614|2.725837|3.171277|4.042118|27.366577|7.067630|8.117478|16.687777|9.423740|25.514164|0.330469|0.500000| |1.743154|1.756895|1.985779|2.277650|2.239861|2.601422|3.084161|19.992079|5.302803|5.065504|8.601113|7.537048|17.456745|0.261763|0.253850|36.858105| |1.586672|1.616497|1.812063|2.037306|1.989201|2.256887|2.624552|17.565755|4.304121|3.936673|7.038747|5.065177|10.705527|0.225449|0.186914|12.448553|36.858105| |1.612177|1.656840|1.856388|2.085874|2.029293|2.295703|2.673846|18.024671|4.345723|3.958975|7.186628|4.837530|10.044988|0.260684|0.180121|8.105341|15.842931|73.516695| |1.443743|1.466754|1.630733|1.806948|1.766155|1.974676|2.251518|15.247103|3.593682|3.162319|5.676647|3.895839|7.164242|0.144222|0.134293|7.913146|14.335093|14.924853|53.358707| |1.322716|1.349087|1.487511|1.626828|1.588213|1.751243|1.967618|13.498351|3.064513|2.624589|4.753881|3.084066|5.347536|0.112271|0.103423|5.065176|7.810068|11.667836|18.564658|36.858105| |1.222231|1.243137|1.362397|1.476548|1.443468|1.577304|1.751269|12.078129|2.687751|2.256941|4.081567|2.601379|4.292234|0.088085|0.084343|3.948927|5.176807|7.953200|10.648287|13.987370|36.858105| |1.141187|1.164472|1.267903|1.363069|1.332252|1.443445|1.588211|11.026173|2.403894|1.989219|3.607852|2.239809|3.614217|0.075713|0.071568|3.137387|3.998525|6.688402|7.061940|8.174608|13.054416|36.858105| |1.163541|1.192896|1.298531|1.396482|1.363039|1.476492|1.626788|11.314801|2.459361|2.037289|3.708401|2.277567|3.706087|0.079818|0.073305|3.122643|4.106917|7.346717|6.751347|7.732292|8.182449|14.172681|36.858105| |1.296732|1.332673|1.462610|1.591123|1.550500|1.698397|1.898129|13.119203|2.918222|2.470131|4.506385|2.811234|4.796659|0.106892|0.093560|4.067111|6.024298|11.593870|9.434220|11.054439|7.386651|7.401001|10.968711|388.023441| |1.094536|1.125114|1.216553|1.298513|1.267858|1.362329|1.487458|10.400781|2.219501|1.812032|3.300366|1.985704|3.152550|0.068345|0.062755|2.556186|3.201575|5.922718|4.905322|4.836752|5.025751|7.475156|12.642100|48.028879|36.858105| |1.017419|1.044201|1.125133|1.192900|1.164451|1.243097|1.349062|9.476942|1.996353|1.616489|2.945619|1.756847|2.741630|0.058383|0.055005|2.221626|2.676702|4.814005|4.136435|3.908928|4.412547|6.627978|7.650881|32.855930|12.445231|36.858105| |0.997487|1.017424|1.094561|1.163551|1.141173|1.222197|1.322698|9.221400|1.965044|1.586671|2.866219|1.743112|2.698792|0.056728|0.053725|2.231110|2.648552|4.615059|4.209996|3.969019|4.863749|7.548500|6.798379|29.955998|7.582493|12.472685|36.858105| |1.049136|1.068471|1.156079|1.233690|1.207851|1.298942|1.415102|9.856581|2.117503|1.726421|3.124022|1.916885|3.004462|0.062357|0.059870|2.551942|3.059185|5.149483|5.121807|5.026710|7.154157|12.565653|7.657729|33.638780|6.308001|7.531698|12.427668|36.858105| |1.211333|1.224837|1.342285|1.453785|1.423846|1.554926|1.721431|11.849776|2.639005|2.204162|3.964520|2.546573|4.095894|0.081068|0.080907|3.836712|4.523683|6.663771|8.978365|7.712486|12.774602|7.159313|5.053427|33.871975|3.682802|3.491811|3.990207|5.759546|36.858105| |1.280371|1.288136|1.416662|1.545855|1.518419|1.671352|1.858927|12.674185|2.882804|2.423462|4.316856|2.861240|4.592023|0.088249|0.089769|4.518170|4.993442|6.950838|9.939431|6.770852|8.059869|5.106738|4.069843|29.979491|3.097599|2.892863|3.208808|4.231760|15.632520|73.516695| |1.126981|1.139264|1.242293|1.333586|1.305326|1.412172|1.549355|10.746192|2.341312|1.927129|3.476419|2.176974|3.406108|0.067517|0.068156|3.047433|3.445885|5.314566|6.160595|5.206501|7.812759|6.218043|4.367093|27.104174|3.417740|3.473403|4.147681|6.192459|14.230488|15.287152|53.358707| |3.990189|3.491786|3.682782|5.053398|7.159244|12.774463|7.712521|33.871940|8.978497|4.523753|6.663841|3.836761|4.096009|0.080909|0.081073|2.546571|2.204065|3.964174|2.638933|1.721359|1.554884|1.423786|1.453694|11.848860|1.342187|1.224767|1.211269|1.284402|1.535596|2.941177|1.897639|36.858105| |3.208837|2.892858|3.097602|4.069846|5.106748|8.059856|6.770858|29.979506|9.939541|4.993500|6.950884|4.518217|4.592128|0.089771|0.088254|2.861187|2.423295|4.316367|2.882658|1.858808|1.671274|1.518326|1.545725|12.672898|1.416531|1.288040|1.280281|1.363331|1.654386|3.194412|2.030027|15.632488|73.516695| |4.147493|3.473366|3.417722|4.367097|6.217956|7.812878|5.206664|27.104643|6.160838|3.446024|5.314757|3.047538|3.406292|0.068161|0.067523|2.177000|1.927086|3.476243|2.341273|1.549309|1.412143|1.305282|1.333520|10.745573|1.242219|1.139210|1.126928|1.187084|1.394183|2.651493|1.736801|14.230882|15.287170|53.358707| |12.427667|7.531678|6.307998|7.657728|12.565664|7.154169|5.026728|33.638826|5.121817|3.059186|5.149459|2.551943|3.004487|0.059868|0.062360|1.916919|1.726400|3.123843|2.117524|1.415096|1.298954|1.207844|1.233656|9.856186|1.156031|1.068445|1.049116|1.104629|1.284447|2.423828|1.615802|5.759501|7.523171|8.428157|36.858105| |17.528616|8.865636|6.992134|6.267324|6.610025|4.568723|3.846693|29.294791|4.136854|2.625762|4.588976|2.221115|2.684003|0.052871|0.056642|1.745658|1.579141|2.828314|1.964847|1.319034|1.223144|1.138310|1.154765|9.123618|1.082997|1.009861|0.993147|1.048271|1.219890|2.299788|1.547797|3.772997|5.530472|5.193363|8.855021|0.500000| |17.562825|8.813645|5.507929|4.955014|5.530999|3.994103|3.303736|24.302867|3.650055|2.326820|4.043222|2.005094|2.445568|0.048919|0.051091|1.597410|1.465052|2.647646|1.825441|1.236266|1.147249|1.076032|1.097171|8.645083|1.036659|0.966295|0.947940|0.993481|1.136874|2.129623|1.445067|3.510581|5.118696|5.189972|8.865311|0.303336|0.500000| |8.854403|17.527143|8.845063|6.663943|6.119070|4.269770|3.770448|30.795099|4.042191|2.618979|4.694857|2.185597|2.711026|0.055034|0.057417|1.732488|1.607453|2.954416|1.979767|1.343437|1.234880|1.161589|1.196020|9.518981|1.132581|1.048311|1.018236|1.064906|1.209328|2.252523|1.529397|3.456923|5.084513|4.766033|6.933387|0.173753|0.210396|0.500000| |8.816558|17.567028|8.851267|5.573882|4.867086|3.554131|3.251583|27.361477|3.576972|2.371242|4.307845|2.002506|2.506370|0.050268|0.053514|1.625543|1.506378|2.738763|1.875307|1.274497|1.180936|1.110034|1.135326|8.957087|1.074295|1.001593|0.975641|1.023157|1.165679|2.172763|1.483249|2.928846|4.438630|3.988397|5.488143|0.210852|0.214562|0.303134|0.500000| |5.525448|8.806533|17.549738|8.903293|5.746930|4.325432|4.401372|45.745338|4.638493|3.133210|5.965688|2.503869|3.157885|0.063518|0.069078|1.982244|1.832553|3.368377|2.241080|1.509717|1.379597|1.289017|1.326614|10.645125|1.246774|1.151156|1.113632|1.173609|1.350866|2.520953|1.701630|3.270708|5.019795|4.122833|4.873096|0.140625|0.123372|0.219740|0.206355|0.500000| |6.606289|8.821294|17.521826|8.937164|6.026981|4.410386|4.365775|42.997388|4.592620|3.061340|5.718272|2.472702|3.066331|0.060317|0.066934|1.953854|1.776143|3.202804|2.192042|1.467561|1.351241|1.254439|1.277436|10.177682|1.194058|1.109451|1.082336|1.147107|1.340543|2.520841|1.694509|3.339743|5.122939|4.199686|5.291715|0.197819|0.138452|0.174139|0.220166|0.303694|0.500000| |2.965087|2.828819|3.219803|4.308842|4.818050|7.508453|9.518296|37.565953|25.714583|9.320667|10.724497|7.485655|6.574523|0.124307|0.125386|3.764728|3.044663|5.415047|3.495828|2.194607|1.934688|1.731547|1.766189|14.814475|1.595743|1.437295|1.423350|1.530823|1.906789|3.714910|2.304513|7.862758|18.960917|6.972231|3.680682|0.080845|0.072570|0.077196|0.068267|0.083700|0.083963|0.500000| |2.178978|2.139629|2.449048|2.962060|2.997529|3.730926|4.619118|26.667795|9.186009|8.873235|11.567618|17.607869|12.350167|0.180327|0.208549|7.273271|4.666421|7.463544|5.173969|2.987154|2.576630|2.195053|2.189156|18.764266|1.901387|1.703438|1.710360|1.896465|2.597356|5.304095|3.033334|3.683484|7.798547|4.015221|2.474914|0.061124|0.054509|0.057787|0.053913|0.065810|0.066924|0.187652|0.500000| |2.177035|2.148671|2.419269|2.951679|3.053333|3.898900|4.733338|26.063604|9.795483|8.677112|10.682252|17.636909|12.314672|0.228685|0.183916|6.441782|4.725106|8.288327|5.007624|2.979065|2.516744|2.193123|2.247478|19.714323|1.974926|1.739411|1.728254|1.882055|2.438198|4.822683|2.844524|4.014688|8.765621|4.368289|2.524936|0.059596|0.054842|0.059374|0.053673|0.065685|0.064253|0.216569|0.300365|0.500000| |1.728431|1.739600|1.975184|2.247787|2.193381|2.517040|2.979521|19.717844|5.008447|4.726170|8.290645|6.442776|12.314788|0.183906|0.228674|17.636858|8.677265|10.682496|9.795419|4.733335|3.898827|3.053307|2.951693|26.064103|2.419289|2.148680|2.177018|2.524904|4.014496|8.765149|4.367956|2.438404|4.823031|2.844738|1.882239|0.048537|0.043935|0.047230|0.044937|0.054581|0.054664|0.097850|0.194628|0.146334|0.500000| |1.710316|1.703399|1.901358|2.189100|2.194963|2.576480|2.987000|18.763945|5.173592|4.666225|7.463702|7.272421|12.350065|0.208567|0.180322|17.607897|8.873113|11.567208|9.186207|4.619216|3.731040|2.997587|2.962086|26.667691|2.449057|2.139646|2.179002|2.474960|3.683640|7.798943|4.015352|2.597156|5.303547|3.033160|1.896390|0.047538|0.043745|0.046734|0.043714|0.052279|0.051832|0.106608|0.206805|0.194571|0.300365|0.500000| |1.423423|1.437376|1.595862|1.766307|1.731624|1.934747|2.194716|14.815788|3.495956|3.044866|5.415733|3.764760|6.574409|0.125377|0.124308|7.485635|9.320597|10.724474|25.714441|9.518363|7.508433|4.818043|4.308849|37.566152|3.219810|2.828828|2.965068|3.680665|7.862624|18.960612|6.971967|1.906789|3.714837|2.304518|1.530878|0.039758|0.036749|0.039387|0.037577|0.044486|0.044057|0.069869|0.106620|0.097839|0.216560|0.187663|0.500000| |1.082288|1.109407|1.194032|1.277391|1.254367|1.351145|1.467478|10.177467|2.191896|1.776089|3.202879|1.953766|3.066370|0.066932|0.060322|2.472721|3.061374|5.718420|4.592622|4.365767|4.410389|6.027004|8.937199|42.997181|17.521821|8.821217|6.606311|5.291730|3.339761|5.122898|4.199787|1.340416|2.520552|1.694373|1.147035|0.029676|0.028534|0.031105|0.029382|0.033930|0.032450|0.044053|0.051832|0.054656|0.064253|0.066924|0.083963|0.500000| |1.113607|1.151135|1.246772|1.326595|1.288971|1.379529|1.509661|10.645102|2.240969|1.832519|3.368498|1.982167|3.157902|0.069073|0.063524|2.503894|3.133247|5.965776|4.638547|4.401400|4.325443|5.746927|8.903306|45.745872|17.549745|8.806532|5.525466|4.873092|3.270722|5.019820|4.122781|1.350769|2.520724|1.701536|1.173561|0.030542|0.029280|0.032260|0.030552|0.035672|0.033930|0.044483|0.052280|0.054574|0.065686|0.065810|0.083700|0.303694|0.500000| |0.975626|1.001583|1.074303|1.135319|1.110004|1.180887|1.274462|8.957144|1.875235|1.506362|2.738859|1.625496|2.506377|0.053512|0.050271|2.002517|2.371258|4.307896|3.576985|3.251587|3.554137|4.867094|5.573894|27.361543|8.851267|17.567040|8.816597|5.488153|2.928862|4.438626|3.988455|1.165603|2.172586|1.483168|1.023122|0.026854|0.025811|0.027993|0.026727|0.030552|0.029383|0.037575|0.043715|0.044933|0.053673|0.053913|0.068267|0.220164|0.206356|0.500000| |1.018249|1.048330|1.132621|1.196046|1.161589|1.234861|1.343434|9.519295|1.979734|1.607463|2.954571|1.732453|2.711015|0.057414|0.055037|2.185612|2.618997|4.694880|4.042239|3.770478|4.269799|6.119084|6.663953|30.795358|8.844987|17.527121|8.854439|6.933403|3.456955|5.084575|4.765971|1.209281|2.252396|1.529352|1.064900|0.028120|0.026838|0.029184|0.027994|0.032261|0.031106|0.039385|0.046735|0.047226|0.059375|0.057787|0.077197|0.174137|0.219739|0.303134|0.500000| |0.993130|1.009849|1.083003|1.154756|1.138276|1.223090|1.318996|9.123668|1.964769|1.579124|2.828411|1.745605|2.684010|0.056641|0.052873|2.221114|2.625767|4.589044|4.136817|3.846660|4.568696|6.610027|6.267340|29.294625|6.992185|8.865673|17.528610|8.855026|3.773002|5.530357|5.193709|1.219805|2.299586|1.547699|1.048233|0.027426|0.026251|0.028119|0.026854|0.030543|0.029677|0.039755|0.047539|0.048532|0.059595|0.061125|0.080844|0.197821|0.140626|0.210853|0.173754|0.500000| |0.947947|0.966307|1.036689|1.097188|1.076026|1.147226|1.236258|8.645319|1.825407|1.465058|2.647765|1.597379|2.445560|0.051089|0.048920|2.005096|2.326825|4.043253|3.650052|3.303731|3.994102|5.531005|4.955021|24.302864|5.507934|8.813660|17.562819|8.865335|3.510600|5.118666|5.190204|1.136823|2.129493|1.445009|0.993469|0.026252|0.025076|0.026837|0.025812|0.029281|0.028535|0.036748|0.043746|0.043931|0.054842|0.054509|0.072569|0.138453|0.123372|0.214562|0.210396|0.303336|0.500000| |1.035778|1.057259|1.145859|1.216954|1.186103|1.269016|1.383721|9.721806|2.058599|1.679272|3.063203|1.844891|2.886727|0.059463|0.058291|2.430766|2.869344|4.819698|4.753899|4.486003|6.194692|8.876977|6.125966|29.586168|5.300894|6.608185|8.871429|17.476694|5.469565|7.208177|8.710527|1.247849|2.344211|1.570061|1.085324|0.028811|0.027237|0.029207|0.028202|0.032356|0.031692|0.041147|0.050880|0.049864|0.067889|0.064723|0.096149|0.121306|0.123165|0.138627|0.197368|0.174724|0.221924|0.500000| |1.032780|1.046654|1.129677|1.207648|1.187738|1.280056|1.389192|9.611698|2.082552|1.689236|3.030785|1.888295|2.924279|0.060155|0.057842|2.508444|2.935876|4.854286|4.935287|4.620700|6.613235|8.873424|5.824169|29.174284|4.874767|5.520744|8.870014|17.562681|6.079635|7.953560|9.537293|1.272809|2.410489|1.603321|1.088958|0.028715|0.027196|0.028931|0.027834|0.031722|0.031177|0.042067|0.052385|0.051683|0.069338|0.068710|0.101825|0.123093|0.108595|0.123623|0.140203|0.221481|0.209158|0.302246|0.500000| |1.082138|1.097401|1.193769|1.274869|1.245428|1.340138|1.465844|10.229342|2.198681|1.801636|3.266323|2.009477|3.136116|0.062909|0.063127|2.736423|3.130581|4.977383|5.430799|4.788983|7.171812|6.821576|4.636413|26.829779|3.711657|3.957353|4.886441|7.878759|9.249729|10.849761|26.174618|1.320567|2.498143|1.652202|1.136242|0.030278|0.028376|0.030128|0.029226|0.033478|0.033198|0.044077|0.056602|0.053786|0.078940|0.073263|0.119069|0.091239|0.090379|0.091224|0.112695|0.119196|0.126589|0.251444|0.243946|0.500000| |1.117198|1.125738|1.226542|1.314929|1.288434|1.391665|1.522411|10.557131|2.293892|1.878030|3.379015|2.114145|3.254798|0.063737|0.065345|2.895955|3.143688|4.834645|5.430937|4.281502|5.714662|4.693969|3.560030|22.963841|2.900029|2.959997|3.472541|4.769708|9.531697|14.075547|26.031112|1.375033|2.614620|1.714626|1.174541|0.031424|0.029247|0.030743|0.029954|0.034173|0.034275|0.046166|0.060873|0.056176|0.086337|0.078440|0.128553|0.073897|0.072712|0.071148|0.083246|0.090160|0.091381|0.138934|0.150225|0.310229|0.500000| |4.886803|3.957478|3.711755|4.636528|6.821913|7.171868|4.788958|26.829862|5.430713|3.130556|4.977362|2.736392|3.136132|0.063127|0.062912|2.009443|1.801530|3.265992|2.198587|1.465758|1.340079|1.245353|1.274762|10.228335|1.193652|1.097314|1.082058|1.136181|1.320548|2.498150|1.652183|9.249444|10.849278|26.174794|7.879653|0.119206|0.126598|0.112696|0.091227|0.090380|0.091242|0.119066|0.073260|0.078939|0.053789|0.056597|0.044076|0.033194|0.033475|0.029223|0.030126|0.030275|0.028374|0.030744|0.031250|0.032190|0.033278|0.500000| |3.472580|2.959999|2.900022|3.560007|4.693947|5.714544|4.281418|22.963550|5.430825|3.143655|4.834609|2.895922|3.254828|0.065346|0.063740|2.114076|1.877892|3.378657|2.293744|1.522292|1.391576|1.288333|1.314798|10.555947|1.226407|1.125633|1.117098|1.174457|1.374982|2.614555|1.714575|9.531273|14.074503|26.031284|4.769760|0.090162|0.091382|0.083246|0.071149|0.072711|0.073897|0.128550|0.078436|0.086338|0.056178|0.060867|0.046164|0.034270|0.034169|0.029951|0.030740|0.031420|0.029245|0.031613|0.032472|0.033277|0.034558|0.310214|0.500000| |8.869941|5.520709|4.874753|5.824177|8.873480|6.613342|4.620768|29.174497|4.935361|2.935895|4.854274|2.508462|2.924311|0.057841|0.060158|1.888329|1.689218|3.030626|2.082574|1.389189|1.280071|1.187733|1.207617|9.611340|1.129633|1.046631|1.032762|1.088960|1.272857|2.410620|1.603377|6.079673|7.953801|9.535980|17.562574|0.221479|0.209155|0.140202|0.123622|0.108595|0.123092|0.101827|0.068709|0.069340|0.051688|0.052383|0.042068|0.031175|0.031721|0.027833|0.028931|0.028714|0.027196|0.029694|0.029935|0.031251|0.032474|0.243999|0.150231|0.500000| 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