Version2.0 2020-03-04T10:55:22Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 24-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](c1ccc(cc1)n2cncn2)[NH+](C)CC(=O)N(CC(C)C)c3c(n(c(=O)[nH]c3=O)CC(C)C)N C17306117 RHF 6-31G(d) (6D,7F) C[C@H](c1ccc(cc1)n2cncn2)[NH+](C)CC(=O)N(CC(C)C)c3c(n(c(=O)[nH]c3=O)CC(C)C)N C01[X(C25H37N8O3)] 213 C1 614 C[C@H](c1ccc(cc1)n1ncnc1)[NH+](CC(=O)N(c1c(=O)[nH]c(=O)n(c1N)CC(C)C)CC(C)C)C C[C@H](c1ccc(cc1)n1ncnc1)[NH+](CC(=O)N(c1c(=O)[nH]c(=O)n(c1N)CC(C)C)CC(C)C)C CC(C)CN1C(=O)NC(=O)C(=C1N)N(CC(C)C)C(=O)C[NH+](C)[C@H](C)c2ccc(cc2)n3cncn3 InChIKey=MGPNWYXZGXQSIV-GOSISDBHSA-O InChI=1S/C25H36N8O3/c1-16(2)11-31(22-23(26)32(12-17(3)4)25(36)29-24(22)35)21(34)13-30(6)18(5)19-7-9-20(10-8-19)33-15-27-14-28-33/h7-10,14-18H,11-13,26H2,1-6H3,(H,29,35,36)/p+1/t18-/m1/s1 InChI=1/C25H36N8O3/c1-16(2)11-31(22-23(26)32(12-17(3)4)25(36)29-24(22)35)21(34)13-30(6)18(5)19-7-9-20(10-8-19)33-15-27-14-28-33/h7-10,14-18H,11-13,26H2,1-6H3,(H,29,35,36)/p+1/t18-/m1/s1/fC25H37N8O3/h29-30H/q+1 C[C@H](c1ccc(cc1)n2cncn2)[NH+](C)CC(=O)N(CC(C)C)c3c(n(c(=O)[nH]c3=O)CC(C)C)N C01[X(C25H37N8O3)] 213 C01 614 C[C@H](c1ccc(cc1)n1ncnc1)[NH+](CC(=O)N(c1c(=O)[nH]c(=O)n(c1N)CC(C)C)CC(C)C)C C[C@H](c1ccc(cc1)n1ncnc1)[NH](CC(=O)N([C@@H]1C(=O)NC(=O)N([C@H]1N)CC(C)C)CC(C)C)C CC(C)CN1[C@@H](N)[C@H](N(CC(C)C)C(=O)C[NH](C)[C@H](C)c2ccc(cc2)n3cncn3)C(=O)NC1=O InChIKey=LDOQLPGFWXYGFE-YFXJRYMSSA-N InChI=1S/C25H39N8O3/c1-16(2)11-31(22-23(26)32(12-17(3)4)25(36)29-24(22)35)21(34)13-30(6)18(5)19-7-9-20(10-8-19)33-15-27-14-28-33/h7-10,14-18,22-23,30H,11-13,26H2,1-6H3,(H,29,35,36)/t18-,22+,23-/m1/s1 InChI=1/C25H39N8O3/c1-16(2)11-31(22-23(26)32(12-17(3)4)25(36)29-24(22)35)21(34)13-30(6)18(5)19-7-9-20(10-8-19)33-15-27-14-28-33/h7-10,14-18,22-23,30H,11-13,26H2,1-6H3,(H,29,35,36)/t18-,22+,23-/m1/s1/f/h29H 3920.3078762427 -1628.2837791 1-A 28415.2784 133 481 614 |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|A|A|A|A| -20.67409 -20.63001 -20.62875 -15.82706 -15.74681 -15.72822 -15.72079 -15.70635 -15.70195 -15.67339 -15.63390 -11.49671 -11.49375 -11.46810 -11.45972 -11.43967 -11.43684 -11.40355 -11.40268 -11.39526 -11.37576 -11.36775 -11.36381 -11.36245 -11.36233 -11.36115 -11.35890 -11.35491 -11.35130 -11.34578 -11.34453 -11.32012 -11.31457 -11.31354 -11.30114 -11.28835 -1.54929 -1.53138 -1.51666 -1.49322 -1.46428 -1.42912 -1.37910 -1.35267 -1.31933 -1.31847 -1.27710 -1.23176 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0.83407 0.84260 0.84592 0.85410 0.85442 0.85809 0.86679 0.87255 0.87671 0.87966 0.88439 0.89301 0.89605 0.89820 0.90036 0.90831 0.91284 0.91570 0.92440 0.92917 0.93569 0.94458 0.95339 0.95780 0.96211 0.96756 0.97310 0.97528 0.97735 0.98292 0.99077 0.99443 0.99808 1.00219 1.00985 1.01288 1.01612 1.02115 1.02577 1.02888 1.03302 1.03692 1.03898 1.04175 1.04612 1.05400 1.05630 1.05887 1.06459 1.06822 1.07264 1.07872 1.07938 1.08783 1.09356 1.09513 1.09613 1.09914 1.10329 1.10448 1.10612 1.11277 1.12045 1.12308 1.12537 1.12732 1.13097 1.13501 1.13751 1.14067 1.14924 1.15524 1.15914 1.17281 1.17358 1.17715 1.17891 1.18042 1.19176 1.19606 1.20203 1.20762 1.22115 1.23150 1.24615 1.24827 1.25700 1.26182 1.26702 1.28337 1.29258 1.29940 1.30398 1.30892 1.31617 1.31977 1.33077 1.33170 1.34504 1.35083 1.35554 1.37131 1.37776 1.38868 1.39819 1.40129 1.41767 1.42459 1.45011 1.46586 1.47459 1.48659 1.49384 1.51189 1.51610 1.52983 1.53520 1.53874 1.55527 1.56161 1.56717 1.57512 1.58165 1.59337 1.60244 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3.1662 1.3652 2.3595 2.0051 1.4836 1.4694 3.1837 1.4486 1.4570 1.2740 1.4749 1.9983 1.7458 1.5017 1.5239 2.1904 2.4294 8.1724 1.9856 1.5667 2.0099 3.0394 1.3594 1.9560 2.7203 2.6942 1.6875 2.6152 3.4563 1.9358 2.1008 2.1491 2.1042 2.2502 2.1112 2.0651 2.0427 2.0970 2.1610 1.8533 1.9184 1.5088 1.5677 1.7858 3.4406 1.5982 2.0649 3.4411 2.9179 1.3643 1.3020 1.5545 1.9540 1.6177 1.4368 1.2820 1.5365 1.4063 1.4476 1.4247 1.4709 1.7164 1.3927 1.5154 1.5583 1.4549 2.6688 1.8553 1.3620 1.4185 1.2664 1.7364 2.0511 1.5696 1.8034 1.4190 1.1349 1.0615 1.0517 1.0765 1.0520 1.2340 1.0598 1.5544 1.1170 1.0670 1.0632 1.1148 1.0604 1.0586 1.0850 1.4231 2.8013 5.5315 4.3536 5.9678 5.3428 1.3468 8.7281 9.3712 9.7725 1.0478 1.0783 1.0414 1.0404 1.0402 1.0394 1.0702 1.0882 1.0933 1.1024 1.0348 1.0957 1.1025 1.1002 1.1027 1.0887 1.0995 1.1021 1.0679 1.0993 1.0970 1.1004 1.0662 1.1042 1.0911 1.1055 1.0961 1.1065 1.1087 1.0945 1.0946 1.0986 1.1029 1.0772 1.0783 1.0495 1.1015 0.0002 0.0010 0.0013 0.0018 0.0036 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1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 14.00307 14.00307 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 10666.6788 43466.2557 49212.5649 0.99996 0.00560 -0.00709 -0.00573 0.99983 -0.01725 0.00699 0.01728 0.99983 1 0.00812 0.00199 0.00176 0.16919 0.04152 0.03667 11.70 25.99 30.72 37.26 56.92 64.45 67.66 81.01 88.56 95.54 103.13 108.49 112.56 148.43 152.87 175.48 193.03 209.71 228.43 258.61 274.36 281.26 287.62 326.55 349.80 353.43 356.70 371.65 398.15 404.14 408.03 430.66 434.38 436.13 456.71 484.49 544.49 556.65 591.96 599.41 608.65 621.43 639.02 642.61 654.41 657.59 660.52 670.76 685.17 717.00 734.74 746.49 750.40 805.96 832.63 869.11 876.11 903.10 944.38 995.65 1009.70 1012.94 1024.63 1043.05 1051.17 1068.12 1104.90 1137.91 1166.11 1191.64 1218.57 1231.50 1241.52 1260.74 1268.21 1277.06 1349.96 1355.15 1370.91 1387.29 1411.32 1418.02 1452.91 1457.34 1461.52 1468.81 1481.87 1485.92 1510.26 1515.36 1517.14 1520.52 1543.18 1553.04 1564.68 1580.80 1596.61 1601.84 1657.49 1662.90 1667.87 1688.70 1707.69 1743.96 1750.78 1779.31 1784.42 1796.38 1804.82 1815.69 1829.94 1856.10 1875.55 1879.93 1883.58 1890.68 1890.82 1902.51 1931.52 1963.71 1971.38 1990.66 2012.95 2027.03 2048.26 2068.92 2082.22 2089.91 2097.09 2116.67 2116.95 2148.42 2156.00 2173.91 2177.13 2201.22 2216.90 2242.27 2244.01 2246.69 2255.41 2259.72 2263.60 2271.45 2273.89 2277.33 2287.86 2288.92 2311.54 2318.28 2332.63 2345.93 2350.27 2350.50 2355.14 2356.83 2359.14 2364.79 2371.71 2374.43 2379.61 2384.80 2387.70 2388.30 2393.54 2398.36 2400.16 2456.66 2539.85 2560.49 2568.74 2616.44 2659.48 2741.22 2778.43 2869.75 4575.86 4599.42 4605.23 4608.81 4616.38 4648.62 4652.07 4662.38 4681.92 4693.40 4701.65 4704.38 4704.72 4717.32 4718.14 4718.78 4725.83 4728.97 4735.15 4753.25 4768.83 4774.36 4789.56 4815.41 4829.65 4843.42 4845.35 4880.67 4892.35 4897.77 4943.14 4997.77 5002.83 5216.87 5533.30 5539.95 5695.24 0.672044 0.706138 0.707082 0.601856 -1627.611735 -1627.577641 -1627.576697 -1627.681923 3.529297D-04 MUNgauss RevisionA2.0 retrievium 04-Mar-2020 DUDE C[C@H](c1ccc(cc1)n2cncn2)[NH+](C)CC(=O)N(CC(C)C)c3c(n(c(=O)[nH]c3=O)CC(C)C)N C17306117 RHF 6-31G(d) (6D,10F) C1 497.298862 |X|Y|Z| 69.409312 39.556676 148.434646 74.140857 22 6 7 15 7 |36.858105| |12.434087|36.858105| |8.849893|17.612058|0.500000| |7.543458|12.565353|0.248429|36.858105| |5.290468|7.569873|0.205906|13.724227|36.858105| |4.006212|5.014837|0.133927|7.886598|13.780613|36.858105| |3.756440|4.423797|0.111158|6.826609|7.956664|13.729545|36.858105| |4.358944|5.000660|0.116506|7.896765|6.899615|7.928635|13.704065|36.858105| |6.177915|7.506165|0.155265|13.696607|7.983349|6.882291|7.940936|13.793779|36.858105| |2.961654|3.336334|0.086256|4.541956|5.185015|7.902842|13.570872|7.842524|5.165697|53.358707| |2.601357|2.855553|0.073300|3.682637|3.913091|5.165992|7.635411|6.320977|4.344725|19.291049|36.858105| |2.244231|2.434998|0.063824|3.018943|3.266966|4.202902|5.382141|4.475916|3.389114|11.959782|14.769928|53.358707| |2.272038|2.485626|0.066402|3.091744|3.516877|4.712899|5.581955|4.252972|3.313778|12.538515|9.208258|19.104760|36.858105| |2.626242|2.931582|0.078518|3.794326|4.557030|6.792825|7.943225|5.220491|3.980882|19.197272|8.712059|11.622407|14.772524|53.358707| |7.546661|12.474213|0.253791|7.643381|5.404836|4.054002|3.766340|4.323574|6.085412|4.039029|2.638223|3.077860|2.263280|3.536961|53.358707| |7.042710|9.150963|0.181136|7.001253|4.824637|3.842861|3.781953|4.593448|6.615742|4.083254|2.724404|3.144974|2.268969|3.504945|25.594568|0.500000| |4.914887|7.536187|0.193162|6.547441|5.426518|4.220350|3.839487|4.173885|5.324706|4.173979|2.723274|3.189909|2.353872|3.678186|17.261591|0.260196|36.858105| |6.310201|7.478635|0.193043|4.939822|3.953483|3.132173|2.920447|3.253174|4.200695|3.283625|2.187661|2.615406|1.926922|2.954787|17.383473|0.265246|7.803628|36.858105| |4.669122|5.057508|0.126521|3.920662|3.201384|2.687145|2.606731|2.949982|3.670239|3.008048|2.059715|2.470483|1.789704|2.692246|10.683497|0.228575|6.162410|12.416691|36.858105| |4.602645|4.901949|0.116029|4.054103|3.224531|2.761733|2.765317|3.234540|4.049999|3.187896|2.210739|2.622778|1.872664|2.803406|10.080367|0.267465|5.878799|8.177740|15.849566|73.516695| |3.624576|3.822513|0.101093|3.099573|2.660010|2.286908|2.212520|2.443806|2.913395|2.614960|1.806878|2.201064|1.598089|2.378250|7.071423|0.144502|4.644795|7.605688|14.036397|14.989026|53.358707| |3.309941|3.499473|0.097915|2.825887|2.511123|2.154197|2.042356|2.198315|2.580487|2.430955|1.667948|2.054210|1.508932|2.248028|6.029843|0.114991|4.115223|6.512488|7.648417|9.385863|17.527040|36.858105| |3.449948|3.446106|0.098334|2.729573|2.436686|2.080976|1.960921|2.101699|2.469130|2.335831|1.594960|1.972645|1.458028|2.176299|5.483747|0.103479|3.539407|5.880619|5.861175|7.740323|10.089856|12.395486|36.858105| |3.201928|3.031385|0.083782|2.463169|2.182973|1.896902|1.820390|1.971755|2.297790|2.188068|1.509940|1.871430|1.373737|2.034147|4.688200|0.092944|2.974012|4.664199|5.052944|7.261536|8.498420|7.451025|12.448995|36.858105| |2.854758|2.893543|0.085024|2.371747|2.190848|1.895646|1.771171|1.860479|2.136883|2.136735|1.459137|1.824278|1.357629|2.018843|4.403649|0.082465|3.001185|4.277746|4.108478|5.833631|6.718073|7.662452|12.422073|7.549342|36.858105| |2.975320|3.160204|0.083107|2.721499|2.376374|2.100712|2.065465|2.277534|2.639146|2.482298|1.741986|2.131351|1.533658|2.256147|5.659689|0.120415|4.031854|5.142031|8.181626|12.631797|18.136739|7.740845|5.056720|4.687600|3.913319|36.858105| |2.618823|2.685005|0.070376|2.364273|2.079230|1.870212|1.862154|2.056688|2.342491|2.269117|1.611004|1.983507|1.419447|2.068071|4.551096|0.098645|3.189644|3.955253|5.686359|9.822854|10.548095|5.605688|4.271737|4.420191|3.437030|13.973164|36.858105| |2.253877|2.329176|0.061269|2.115160|1.889403|1.729979|1.736201|1.904798|2.121967|2.145298|1.539630|1.907386|1.357999|1.960613|3.855255|0.083617|2.799038|3.176171|4.220307|7.642499|6.990239|4.160460|3.317894|3.395325|2.842908|8.011927|13.874453|53.358707| |2.152062|2.281934|0.060304|2.110527|1.907007|1.759670|1.766123|1.922220|2.117172|2.193013|1.578650|1.958731|1.392462|2.005363|3.793167|0.081699|2.880710|3.026895|3.891330|7.094458|6.146356|3.781369|2.974880|2.904897|2.619709|6.827219|7.908682|18.636336|36.858105| |1.912202|2.021384|0.053623|1.902311|1.739951|1.626968|1.641018|1.773536|1.921206|2.062718|1.497057|1.870838|1.326104|1.894773|3.278099|0.070383|2.508532|2.558383|3.145078|5.779911|4.793667|3.079514|2.521305|2.480080|2.279153|4.785256|5.442194|11.462965|15.993943|73.516695| |2.358678|2.576779|0.068292|2.373561|2.143419|1.959951|1.949965|2.115965|2.350437|2.397909|1.711320|2.111385|1.506890|2.186523|4.420323|0.094165|3.495431|3.513347|4.552774|8.133500|7.106556|4.311446|3.227966|2.998239|2.823152|8.073885|7.047275|11.081385|13.924496|15.126597|53.358707| |2.218172|2.454452|0.065441|2.306657|2.113992|1.953682|1.944280|2.088503|2.286261|2.409135|1.725240|2.136374|1.523692|2.203012|4.148910|0.087607|3.397798|3.191606|3.915048|7.040254|5.821961|3.709137|2.861871|2.633454|2.567951|5.823165|5.146316|8.028753|9.468756|13.932683|25.958593|0.500000| |2.781824|3.089205|0.081847|2.749481|2.442672|2.179724|2.140272|2.334637|2.664544|2.582621|1.815876|2.222264|1.597202|2.346482|5.580752|0.117241|4.398783|4.660047|6.502848|10.782528|10.694088|5.931973|4.052875|3.593783|3.388668|13.281660|7.827058|9.253338|7.776741|9.617881|18.889391|0.259468|36.858105| |2.959245|3.443048|0.092423|3.065918|2.747169|2.423909|2.343561|2.528337|2.900131|2.800308|1.946274|2.373209|1.717187|2.544756|6.410268|0.129191|5.560468|5.181433|6.524645|10.425813|9.418092|5.751174|3.986667|3.361645|3.397535|8.138054|5.360644|6.466531|5.394335|7.544458|11.523020|0.214374|15.758936|73.516695| |1.980018|2.008764|0.053037|1.845393|1.663634|1.540044|1.553296|1.696878|1.864782|1.941095|1.402914|1.751430|1.244815|1.783974|3.212048|0.069472|2.310793|2.607126|3.280646|5.976474|5.215688|3.309497|2.824333|3.001503|2.493151|5.071572|7.569342|17.492599|7.861021|12.672314|7.068496|0.119394|4.452437|6.174064|36.858105| |1.904736|1.916823|0.050085|1.791606|1.611674|1.508182|1.541627|1.695966|1.845128|1.939956|1.416878|1.768910|1.246699|1.775237|3.023306|0.066444|2.164872|2.380656|2.945105|5.595583|4.401820|2.761532|2.426442|2.588554|2.141740|4.042466|5.431610|10.219705|5.919348|10.610693|5.806315|0.103299|3.690560|5.351164|12.419729|36.858105| |1.669098|1.668497|0.043958|1.569621|1.428260|1.346182|1.374876|1.498908|1.613100|1.746181|1.279373|1.610920|1.137069|1.610334|2.574250|0.055921|1.845966|2.017889|2.407452|4.493284|3.575518|2.338803|2.114571|2.272301|1.913396|3.123515|3.947653|6.746453|4.256686|8.074625|4.466961|0.082700|2.896775|4.364280|7.647479|12.435313|36.858105| |2.087246|2.061026|0.053118|1.921179|1.703557|1.590071|1.638151|1.828231|2.004078|2.050909|1.499461|1.860175|1.305977|1.863250|3.239585|0.072558|2.256575|2.539496|3.172693|6.233335|4.585997|2.792128|2.505429|2.732488|2.160487|4.030371|5.329817|8.308507|4.739764|7.877175|5.169967|0.091821|3.528602|5.210958|7.433010|12.444904|7.552736|36.858105| |2.619963|2.585341|0.067770|2.255630|1.978816|1.778796|1.772676|1.961935|2.238241|2.163290|1.535185|1.895165|1.358481|1.977852|4.235925|0.091714|2.851423|3.733473|5.114829|8.772190|9.094547|5.215168|4.456206|5.193193|3.524351|8.048274|14.084670|11.098470|5.256773|7.365848|6.394166|0.104718|5.175943|7.202014|6.730072|5.157136|3.962627|5.541477|53.358707| |17.612964|8.938285|0.207749|7.206102|5.499298|4.246567|3.948821|4.465405|5.988717|4.240193|2.696857|3.179068|2.392546|3.799519|7.539591|0.145461|4.102870|4.707549|3.692687|6.535201|4.096227|2.813454|2.956210|2.778137|2.537865|2.545778|2.281625|2.723077|1.921958|3.075576|2.842996|0.055119|2.411875|4.552598|1.783904|1.729003|1.533620|1.887308|3.117538|0.500000| |17.566562|8.730432|0.173097|6.600458|4.582453|3.695132|3.671510|4.500827|6.456049|3.990003|2.638422|3.073372|2.240511|3.473040|9.480003|0.211721|4.599651|5.852495|4.843968|9.117718|5.026202|3.227953|3.302193|3.180938|2.694197|3.085168|2.759508|3.228912|2.244887|3.540956|3.313805|0.063181|2.848821|5.273518|2.088271|2.034967|1.771564|2.271798|3.786030|0.302516|0.500000| |17.608567|8.677275|0.216483|5.489206|4.298861|3.358601|3.122307|3.499550|4.600296|3.470659|2.270018|2.715593|2.026394|3.146230|8.956016|0.165109|4.438087|6.715448|4.824208|7.958023|5.253241|3.636086|4.001327|3.711215|3.254086|3.066355|2.702529|3.119327|2.158937|3.394942|3.201001|0.060901|2.794215|5.226787|2.018011|1.917851|1.686034|2.096360|3.749059|0.303889|0.300678|0.500000| |4.949750|7.018429|0.228714|8.898828|17.707371|8.991461|5.668284|4.965185|5.656758|5.727417|3.295010|3.901303|3.135463|5.396627|6.938113|0.120634|5.230927|3.953214|3.118305|5.399435|3.595461|2.565532|2.515623|2.215783|2.299158|2.336371|2.034120|2.508934|1.860029|3.015441|2.852441|0.057444|2.400190|4.834310|1.623598|1.557753|1.386050|1.633521|2.638677|0.142525|0.114688|0.118304|0.500000| |3.377854|4.092581|0.114621|5.624409|8.906479|17.784858|8.941047|5.650827|4.962142|9.887489|4.840110|5.751344|5.103540|10.480310|4.656685|0.089398|3.632928|2.763000|2.390938|4.314429|2.830419|1.990222|1.929979|1.757369|1.787571|1.922995|1.720782|2.181676|1.636556|2.708106|2.473622|0.050620|2.003459|3.957748|1.435518|1.403306|1.261509|1.468306|2.229341|0.099824|0.086284|0.081536|0.216445|0.500000| |3.780439|4.088704|0.096448|5.642132|4.969295|5.635089|8.869827|17.754459|8.974886|9.696706|6.892836|6.439038|4.184731|6.498148|5.065445|0.113098|3.579913|2.917872|2.743950|5.446355|3.132748|2.054689|1.961953|1.869009|1.737900|2.180891|2.001328|2.548145|1.887485|3.118397|2.793713|0.056303|2.228961|4.220132|1.682544|1.703636|1.509448|1.848365|2.607299|0.106939|0.112662|0.086547|0.107791|0.124070|0.500000| |6.469403|6.893091|0.139370|8.848490|5.647380|4.955907|5.666770|9.017797|17.697082|5.712104|3.785585|4.113046|2.890755|4.534041|8.457641|0.210965|5.042772|4.411939|4.028775|8.302608|4.263789|2.695294|2.574505|2.441363|2.186909|2.839951|2.542850|3.111874|2.252444|3.611755|3.371614|0.066089|2.811513|5.320579|2.006840|2.001582|1.735803|2.212216|3.330482|0.163884|0.216448|0.133881|0.123771|0.107667|0.219523|0.500000| |2.637904|2.871213|0.072371|3.661208|3.682890|4.558626|6.680298|6.634637|4.539654|12.169807|17.819434|12.343712|6.115717|8.078629|3.689977|0.079484|2.779342|2.242830|2.147290|4.165820|2.552546|1.709439|1.625022|1.547616|1.475318|1.821437|1.691583|2.206963|1.662830|2.804700|2.446169|0.050263|1.898429|3.592876|1.477153|1.503301|1.352166|1.599974|2.190200|0.074879|0.075924|0.063764|0.085809|0.114178|0.230262|0.113921|0.500000| |2.050191|2.224271|0.060188|2.689925|3.058972|3.928490|4.337304|3.452783|2.818996|8.361320|6.151094|12.135359|17.817213|12.543378|2.769759|0.056346|2.117134|1.761180|1.638769|3.026315|2.011740|1.406663|1.364161|1.286763|1.280353|1.421048|1.320100|1.724211|1.299107|2.207905|1.906711|0.039404|1.478672|2.819045|1.166700|1.167136|1.070352|1.217589|1.723387|0.060007|0.055912|0.051451|0.078064|0.121416|0.094301|0.069406|0.128699|0.500000| |4.110643|5.528542|0.143931|4.859858|4.167073|3.459475|3.254107|3.547413|4.319821|3.680656|2.469909|2.929197|2.138397|3.269711|12.275348|0.221494|17.659093|7.461083|7.062416|11.795104|7.426293|4.648781|3.726110|3.110501|3.133594|4.914341|3.702381|4.408990|3.403446|5.160895|5.897460|0.116625|5.755741|14.308549|2.594746|2.396307|2.013253|2.465362|4.325459|0.096074|0.111015|0.107283|0.112577|0.085018|0.088028|0.119255|0.070776|0.053866|0.500000| |4.572012|6.839948|0.167362|7.403784|6.196703|4.987843|4.636698|5.075522|6.358973|4.909442|3.176483|3.640408|2.665652|4.205031|12.263304|0.227254|17.713307|5.665491|4.894729|9.033631|5.203070|3.374491|2.968063|2.584298|2.567862|3.488301|2.869702|3.522854|2.693505|4.250083|4.381535|0.088693|3.845365|8.333530|2.170377|2.073699|1.777387|2.168469|3.509674|0.110475|0.122141|0.110174|0.153607|0.115649|0.118024|0.158517|0.090491|0.065584|0.299138|0.500000| |4.589196|7.019002|0.212930|6.020512|5.598446|4.251297|3.658288|3.761523|4.602337|4.023163|2.585903|3.079654|2.319219|3.650255|12.308170|0.181537|17.636416|6.884752|5.121698|8.219870|5.682935|4.001722|3.530367|2.890041|3.102588|3.592205|2.878900|3.462453|2.618940|4.099949|4.284793|0.085872|3.896713|8.753123|2.129498|1.979878|1.712262|2.041337|3.547355|0.110026|0.113591|0.118874|0.164603|0.104961|0.089059|0.117031|0.071781|0.058518|0.298586|0.299752|0.500000| |5.137002|6.333084|0.187722|4.440420|3.812025|3.027118|2.753907|2.960278|3.679862|3.132597|2.077720|2.511698|1.869315|2.867139|12.355499|0.185766|7.619727|17.686744|8.658037|10.657049|9.489480|7.203613|6.350364|4.552973|4.863823|4.861390|3.701384|4.120790|2.940636|4.445473|4.716420|0.088706|4.611037|9.570749|2.491483|2.242583|1.921276|2.335657|4.687480|0.114178|0.127380|0.154088|0.110617|0.075777|0.073479|0.103082|0.058521|0.047801|0.207245|0.149024|0.217870|0.500000| |7.541925|7.316400|0.190667|4.686185|3.755680|2.986494|2.790783|3.112369|4.010911|3.153167|2.099973|2.522370|1.864064|2.855537|12.273430|0.210413|5.682978|17.709667|8.889810|11.840533|8.725592|5.856594|6.221319|5.175278|4.413674|4.424756|3.631166|3.974838|2.720889|4.142481|4.142330|0.076826|3.858399|7.261409|2.466833|2.269481|1.948413|2.453691|4.929463|0.149844|0.188062|0.261303|0.104840|0.073467|0.078041|0.118471|0.059617|0.047489|0.146801|0.126404|0.147436|0.301677|0.500000| |2.798958|2.931863|0.081810|2.455035|2.214766|1.937356|1.851161|1.982173|2.281400|2.233743|1.546451|1.917790|1.404917|2.075427|4.898090|0.095802|3.459696|4.802602|5.760164|7.885141|12.702895|17.647970|8.936858|6.780499|7.153309|7.823429|6.148279|6.283847|4.128906|5.946091|6.217800|0.107680|5.960293|9.563271|3.672638|2.941630|2.501524|2.886354|7.677254|0.067575|0.076736|0.084226|0.062677|0.050139|0.051995|0.066156|0.044083|0.036541|0.109267|0.081496|0.093635|0.143776|0.122938|0.500000| |3.294125|3.654467|0.105237|2.958828|2.674673|2.277713|2.127695|2.259209|2.644238|2.524832|1.719786|2.119508|1.566259|2.344605|6.352312|0.116064|4.625148|6.660667|6.843908|8.645968|12.281243|17.553089|8.775934|5.452868|7.042652|6.447113|4.639153|5.033915|3.565404|5.250252|5.781488|0.105276|5.894033|11.458897|2.960186|2.511717|2.146302|2.509898|5.647888|0.078309|0.087178|0.098934|0.077037|0.058729|0.058041|0.075157|0.048666|0.040575|0.147289|0.102499|0.130123|0.237387|0.155699|0.305527|0.500000| |4.152649|4.096758|0.119094|3.102519|2.742337|2.293707|2.137433|2.292687|2.739561|2.514915|1.699364|2.092092|1.554052|2.340119|6.371315|0.116103|3.910299|7.225455|6.118589|8.022591|8.938194|8.800151|17.518234|8.937530|8.976178|4.455891|3.736651|4.038882|2.711006|4.127541|4.047018|0.074385|3.727853|6.769396|2.540639|2.243351|1.959624|2.349952|5.248484|0.096987|0.106829|0.140039|0.079291|0.058734|0.058780|0.078938|0.047906|0.040272|0.109892|0.089866|0.109705|0.218405|0.235529|0.174423|0.211881|0.500000| |3.544992|3.261553|0.087514|2.633775|2.285039|1.982891|1.923032|2.115720|2.492952|2.299702|1.590996|1.959607|1.430342|2.118908|5.093379|0.103963|3.118240|5.067293|5.786470|8.496916|9.183479|6.620802|8.727777|17.543400|5.477401|4.971511|4.772935|4.864981|3.004157|4.530729|4.192038|0.074559|3.701554|6.078583|3.144576|2.766679|2.392392|3.020226|7.992805|0.083978|0.100808|0.114160|0.063501|0.050541|0.055959|0.075004|0.045578|0.037046|0.090216|0.075690|0.082061|0.127911|0.160877|0.161479|0.137385|0.214841|0.500000| |2.748978|2.648057|0.072963|2.213288|1.981466|1.746044|1.686401|1.820834|2.091520|2.047017|1.423487|1.772167|1.296586|1.906956|4.114896|0.082683|2.701722|3.920497|4.448077|6.620642|7.878068|6.839420|8.768618|17.543298|6.735394|4.807030|4.822757|5.054909|3.098383|4.701317|4.236992|0.075295|3.636545|5.860161|3.341320|2.796518|2.468559|2.895587|8.052720|0.067235|0.076677|0.085864|0.055688|0.045171|0.048315|0.061668|0.040616|0.033827|0.079855|0.066022|0.072745|0.107581|0.114873|0.202849|0.139671|0.173741|0.300605|0.500000| |3.072596|2.843473|0.079517|2.326790|2.084522|1.817914|1.739351|1.871255|2.164890|2.099699|1.446765|1.801587|1.327811|1.964875|4.210338|0.082963|2.672453|4.018262|4.085777|6.109495|6.351339|5.456545|8.809892|17.570578|7.013883|3.702482|3.553894|3.900451|2.497149|3.874184|3.487077|0.063682|2.991430|5.071851|2.609975|2.299814|2.063128|2.432337|5.619773|0.075606|0.083859|0.100457|0.059112|0.047039|0.049291|0.063480|0.041009|0.034672|0.076010|0.065372|0.073160|0.109990|0.127610|0.140773|0.122730|0.212732|0.303099|0.302039|0.500000| |2.833694|2.969022|0.089304|2.442437|2.291142|1.974184|1.822901|1.893856|2.168388|2.196534|1.491767|1.867565|1.397199|2.084864|4.512947|0.082702|3.177929|4.304115|3.964687|5.639155|6.263426|7.034544|8.730789|5.476841|17.548702|3.718520|3.181206|3.659673|2.551870|3.969183|3.829003|0.072267|3.390747|6.281323|2.338974|2.022514|1.806946|2.024147|4.273137|0.070347|0.073148|0.088474|0.067722|0.052004|0.048788|0.060789|0.041692|0.036642|0.091975|0.074879|0.093978|0.144387|0.118944|0.178083|0.213997|0.212727|0.122250|0.138560|0.141950|0.500000| |2.791508|2.757399|0.081509|2.269150|2.109287|1.830432|1.707882|1.787510|2.044278|2.066834|1.409653|1.768582|1.320463|1.962853|4.038410|0.075864|2.713539|3.802674|3.557908|5.212118|5.509257|5.533882|8.787825|6.883666|17.575013|3.282925|2.973202|3.407614|2.304989|3.618240|3.333003|0.062458|2.871625|5.122298|2.247285|1.965321|1.778630|2.000556|4.246622|0.070008|0.072712|0.089679|0.061711|0.048132|0.046429|0.057994|0.039464|0.034691|0.076943|0.065499|0.078216|0.116836|0.113511|0.143803|0.143265|0.216580|0.141624|0.165734|0.210383|0.301979|0.500000| |2.503030|2.538647|0.073505|2.133328|1.979134|1.737891|1.638437|1.720723|1.953642|1.995085|1.373361|1.723853|1.277976|1.887065|3.882940|0.074228|2.700886|3.644053|3.702154|5.400165|6.269399|6.892626|8.764090|6.855641|17.544896|3.903515|3.544605|4.044618|2.719192|4.221720|3.916865|0.072455|3.371952|5.847674|2.637764|2.223947|2.001747|2.206191|4.968504|0.062358|0.066760|0.077648|0.057239|0.045690|0.045020|0.055726|0.038675|0.033561|0.079609|0.065169|0.076674|0.112018|0.102229|0.212348|0.171077|0.174175|0.138999|0.199737|0.173983|0.301543|0.301966|0.500000| |1.819525|1.861699|0.049599|1.722343|1.570861|1.461393|1.469122|1.589544|1.731946|1.846755|1.336049|1.677088|1.194354|1.706820|2.953366|0.063120|2.162199|2.380110|2.913542|5.230505|4.615702|3.051295|2.607268|2.716517|2.367792|4.397763|5.873006|12.596057|7.637311|14.312757|6.822836|0.120033|4.121054|5.845388|17.678280|8.877670|7.174050|5.474809|6.993829|0.045861|0.052788|0.051460|0.042782|0.038075|0.043722|0.051232|0.038941|0.031204|0.067435|0.056597|0.055964|0.064270|0.062356|0.095348|0.077495|0.065128|0.077243|0.084113|0.066434|0.062375|0.059302|0.070324|0.500000| |1.983312|1.984615|0.052623|1.804508|1.626282|1.498988|1.505329|1.642164|1.812258|1.878009|1.351941|1.690354|1.206124|1.731737|3.142741|0.067505|2.223115|2.596340|3.237745|5.771824|5.245205|3.409226|2.989244|3.294731|2.639236|4.840481|7.298187|12.422769|5.814167|9.225453|5.919382|0.101212|4.016756|5.701887|17.633507|8.746569|6.848629|6.732229|10.693994|0.049657|0.057986|0.056815|0.044278|0.038851|0.045109|0.054192|0.039396|0.031454|0.068525|0.057600|0.057367|0.068964|0.069435|0.106550|0.082801|0.073664|0.095542|0.104998|0.079511|0.067523|0.066391|0.078489|0.305151|0.500000| |1.877177|1.913924|0.049919|1.810590|1.633863|1.538151|1.579179|1.736139|1.875184|1.994344|1.463837|1.826923|1.282323|1.820788|3.030246|0.066805|2.208505|2.342488|2.882313|5.550637|4.223468|2.641873|2.293683|2.387039|2.034932|3.916875|4.944208|9.531557|6.525166|12.834151|6.279878|0.114596|3.796053|5.535966|8.977705|17.576958|8.925754|8.917133|5.963997|0.047427|0.055651|0.051980|0.043713|0.039768|0.048599|0.056329|0.043293|0.033311|0.068343|0.059342|0.055851|0.061467|0.061268|0.077437|0.068068|0.059479|0.070545|0.070561|0.059077|0.054088|0.051769|0.058314|0.215578|0.174203|0.500000| |1.656912|1.640174|0.043345|1.532078|1.394059|1.309651|1.332735|1.451127|1.566996|1.690111|1.233871|1.555483|1.101799|1.562982|2.513388|0.054341|1.783270|1.991132|2.360931|4.352028|3.535888|2.343020|2.155842|2.363653|1.956265|3.020840|3.838477|6.190147|3.766700|6.856081|4.077282|0.075061|2.729354|4.138388|6.894417|8.745474|17.520548|6.788413|5.559274|0.042336|0.048781|0.046860|0.037703|0.034120|0.040491|0.046840|0.036105|0.028851|0.053666|0.047443|0.046192|0.052691|0.053999|0.069930|0.059131|0.055208|0.069013|0.072164|0.059955|0.050821|0.050805|0.057169|0.175518|0.202429|0.173471|0.500000| |1.607371|1.601799|0.042058|1.521469|1.386050|1.315065|1.351897|1.476162|1.577003|1.726111|1.272426|1.604755|1.127859|1.590342|2.449331|0.053445|1.755281|1.892998|2.231760|4.216424|3.239865|2.117199|1.933422|2.071001|1.751797|2.773046|3.382685|5.546807|3.651719|6.964182|3.983764|0.075104|2.608070|4.004466|5.529230|8.796495|17.571840|6.943731|4.630027|0.041255|0.047588|0.044831|0.037211|0.034241|0.041579|0.047212|0.037478|0.029499|0.052761|0.047389|0.045165|0.049870|0.050931|0.061969|0.054417|0.050375|0.060888|0.061600|0.052735|0.046156|0.045562|0.050467|0.144658|0.139920|0.212965|0.301993|0.500000| |1.573220|1.586031|0.042064|1.496458|1.372566|1.296757|1.319573|1.427777|1.529503|1.681638|1.231754|1.557007|1.101368|1.557452|2.443669|0.052627|1.774784|1.913037|2.258329|4.164087|3.374458|2.248629|2.022519|2.142393|1.858153|2.957090|3.645149|6.349098|4.251020|8.526981|4.433919|0.083527|2.815345|4.266815|6.986723|8.754956|17.561113|5.484478|4.827678|0.040273|0.046004|0.044145|0.037144|0.033906|0.039829|0.045339|0.036046|0.028873|0.053916|0.047479|0.046038|0.051174|0.051055|0.067448|0.057939|0.051920|0.061704|0.064838|0.054185|0.049076|0.047877|0.054361|0.216972|0.169448|0.214299|0.301070|0.302186|0.500000| |2.347222|2.325521|0.059251|2.155929|1.885930|1.748541|1.805385|2.037257|2.260561|2.239145|1.632002|2.007582|1.407391|2.018370|3.727563|0.085024|2.572854|2.917707|3.775242|7.709404|5.351508|3.110289|2.743448|2.961946|2.312104|4.774557|6.291763|9.152455|5.179057|8.100031|5.848381|0.101711|4.097350|5.967891|6.727863|8.709029|5.469908|17.542739|8.524586|0.058248|0.071725|0.065110|0.049954|0.044508|0.057120|0.070139|0.048560|0.036259|0.078687|0.068490|0.063624|0.073250|0.077539|0.087618|0.077322|0.071975|0.092711|0.085639|0.072194|0.060292|0.059062|0.064780|0.138468|0.166806|0.211197|0.138962|0.141070|0.122227|0.500000| 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