Version2.0 2020-08-10T00:06:31Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 11-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1C[C@H](C[NH+](C1)CCCCNC(=O)Nc2cc(c(cc2F)F)NC(=O)C)C C66981489 RHF 6-31G(d) (6D,7F) C[C@@H]1C[C@H](C[NH+](C1)CCCCNC(=O)Nc2cc(c(cc2F)F)NC(=O)C)C C01[X(C20H31F2N4O2)] 171 C1 482 C[C@H]1C[NH+](CCCCNC(=O)Nc2cc(NC(=O)C)c(cc2F)F)C[C@@H](C1)C C[C@H]1C[NH+](CCCCNC(=O)Nc2cc(NC(=O)C)c(cc2F)F)C[C@@H](C1)C C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2cc(NC(C)=O)c(F)cc2F)C1 InChIKey=NPSCHYWRJMKKKX-ZIAGYGMSSA-O InChI=1S/C20H30F2N4O2/c1-13-8-14(2)12-26(11-13)7-5-4-6-23-20(28)25-19-10-18(24-15(3)27)16(21)9-17(19)22/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,24,27)(H2,23,25,28)/p+1/t13-,14-/m1/s1 InChI=1/C20H30F2N4O2/c1-13-8-14(2)12-26(11-13)7-5-4-6-23-20(28)25-19-10-18(24-15(3)27)16(21)9-17(19)22/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,24,27)(H2,23,25,28)/p+1/t13-,14-/m1/s1/fC20H31F2N4O2/h23-26H/q+1 C[C@@H]1C[C@H](C[NH+](C1)CCCCNC(=O)Nc2cc(c(cc2F)F)NC(=O)C)C C01[X(C20H31F2N4O2)] 171 C01 482 C[C@H]1C[NH+](CCCCNC(=O)Nc2cc(NC(=O)C)c(cc2F)F)C[C@@H](C1)C C[C@H]1C[NH](CCCCNC(=O)N[C]2[CH][C]([C]([CH][C]2F)F)NC(=O)C)C[C@@H](C1)C C[C@@H]1C[C@@H](C)C[NH](CCCCNC(=O)N[C]2[CH][C](NC(C)=O)[C](F)[CH][C]2F)C1 InChIKey=GBEIKSTVHWUNCG-ZIAGYGMSSA-N InChI=1S/C20H31F2N4O2/c1-13-8-14(2)12-26(11-13)7-5-4-6-23-20(28)25-19-10-18(24-15(3)27)16(21)9-17(19)22/h9-10,13-14,26H,4-8,11-12H2,1-3H3,(H,24,27)(H2,23,25,28)/t13-,14-/m1/s1 InChI=1/C20H31F2N4O2/c1-13-8-14(2)12-26(11-13)7-5-4-6-23-20(28)25-19-10-18(24-15(3)27)16(21)9-17(19)22/h9-10,13-14,26H,4-8,11-12H2,1-3H3,(H,24,27)(H2,23,25,28)/t13-,14-/m1/s1/f/h23-25H 2578.2418907801 -1341.6716204 1-A 21806.9145 106 376 482 |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| -26.38324 -26.38264 -20.59680 -20.59388 -15.84036 -15.67102 -15.66663 -15.66426 -11.45696 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0.8571 0.6960 0.6568 0.8461 0.7921 0.8111 0.8466 0.4189 0.2990 0.2708 0.8326 0.2107 0.8571 0.4797 0.1609 0.2825 0.1563 0.4926 0.7568 0.4913 0.6211 0.8566 0.8545 0.7247 0.4515 0.8466 0.8466 0.0739 0.3294 0.8438 0.7912 0.8515 0.3291 0.7188 0.3404 0.7403 0.7796 0.5876 0.8074 0.5635 0.7534 0.3665 0.1764 0.6923 0.7106 0.4911 0.6650 0.7652 0.8568 0.7581 0.2850 0.4301 0.7844 0.3634 0.6919 0.8486 0.7968 0.8260 0.8313 0.8389 0.8074 0.7787 0.8526 0.7412 0.8519 0.8566 0.1711 0.5355 0.7855 0.6760 0.7105 0.8092 0.8568 0.8571 0.8443 0.8464 0.7638 0.5297 0.8555 0.8571 0.8294 0.7779 0.7715 0.7325 0.8570 0.8479 0.8312 0.8475 0.8464 0.8210 0.8438 0.8440 0.6313 0.8565 0.8563 0.8355 0.5260 0.5132 0.3242 0.2664 0.8358 0.1124 0.3303 0.0796 0.0178 0.0352 0.6179 0.3052 0.8299 0.8538 0.4620 0.4356 0.8181 0.0448 0.8168 0.8557 0.7182 0.8559 0.7656 0.7385 0.8031 0.8512 0.7683 0.6127 0.4501 0.3892 0.3314 0.5318 0.3031 0.2843 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 6 6 1 6 6 1 6 7 1 6 6 6 6 6 7 6 8 7 6 6 6 6 6 6 9 9 7 6 8 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 14.00307 12.00000 15.99491 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 6716.3225 33811.9372 38614.2776 0.99999 -0.00262 0.00208 0.00260 0.99995 0.01009 -0.00211 -0.01009 0.99995 1 0.01290 0.00256 0.00224 0.26871 0.05338 0.04674 8.37 14.44 17.43 37.41 53.04 62.06 68.44 94.43 103.76 115.96 127.29 148.62 204.05 216.92 218.84 230.26 244.17 267.87 314.35 326.43 337.10 348.52 359.09 407.67 419.93 425.33 451.46 474.79 478.09 503.34 537.21 547.89 569.57 588.06 622.95 682.61 686.18 691.16 716.62 728.28 755.21 772.70 787.05 810.19 855.74 913.68 916.26 960.14 1007.75 1011.87 1063.44 1090.72 1125.29 1130.22 1169.76 1220.58 1223.78 1247.91 1260.70 1305.01 1339.51 1377.90 1387.03 1416.08 1423.74 1444.64 1476.14 1491.20 1498.00 1511.19 1515.23 1551.08 1573.54 1587.78 1591.33 1598.46 1609.44 1626.77 1642.91 1679.68 1690.20 1727.24 1746.28 1754.39 1767.77 1808.36 1824.86 1856.23 1864.25 1874.69 1878.62 1897.64 1924.28 1964.68 1988.00 2007.40 2021.17 2034.85 2048.66 2067.82 2106.15 2119.82 2123.53 2132.49 2144.59 2161.10 2173.81 2185.64 2199.28 2221.77 2238.31 2243.33 2254.90 2262.14 2269.56 2274.78 2286.65 2289.84 2295.70 2321.01 2341.14 2346.97 2348.27 2349.79 2358.36 2361.18 2362.26 2367.45 2368.30 2372.51 2381.70 2390.61 2394.47 2424.51 2473.66 2511.62 2640.25 2647.23 2794.88 2842.59 4596.20 4596.35 4614.13 4614.70 4619.03 4624.17 4631.49 4653.98 4669.69 4689.37 4694.62 4701.20 4704.53 4706.25 4714.14 4718.06 4719.40 4729.37 4739.98 4741.12 4757.87 4781.21 4795.89 4805.79 4817.76 4924.01 5044.77 5326.40 5566.18 5579.59 5585.70 0.546294 0.574318 0.575262 0.481195 -1341.125326 -1341.097302 -1341.096358 -1341.190425 3.155023D-04 MUNgauss RevisionA2.0 retrievium 10-Aug-2020 DUDE C[C@@H]1C[C@H](C[NH+](C1)CCCCNC(=O)Nc2cc(c(cc2F)F)NC(=O)C)C C66981489 RHF 6-31G(d) (6D,10F) C1 397.241508 |X|Y|Z| 133.487214 57.310656 26.519030 58.759429 19 6 7 16 3 |36.858105| |12.445549|36.858105| |8.938626|17.512878|0.500000| |7.501589|12.430464|0.245879|36.858105| |4.867188|7.455055|0.186852|12.402036|36.858105| |4.087611|5.501970|0.137860|8.906081|17.550857|0.500000| |4.392426|6.479338|0.158596|7.583407|12.452880|0.252632|36.858105| |4.950348|7.589924|0.191889|6.505084|7.568470|0.155438|12.658159|53.358707| |4.666071|7.127488|0.211487|5.953773|7.103758|0.144129|9.315133|25.718619|0.500000| |7.627366|12.467724|0.248297|7.586053|6.463147|0.137219|7.691864|17.219971|0.258566|36.858105| |3.804836|4.930309|0.128154|4.374476|4.939373|0.115503|7.649404|17.197069|0.258953|7.590628|36.858105| |3.473793|4.225703|0.116770|3.551718|3.795800|0.090041|4.965063|10.232255|0.203915|6.003178|12.493828|36.858105| |2.786222|3.203735|0.087504|2.827566|3.014664|0.074843|3.826403|6.695547|0.130814|4.215556|7.597737|12.430002|36.858105| |2.501475|2.771085|0.077366|2.422588|2.520381|0.063042|3.011320|5.110453|0.104320|3.447093|4.907895|7.490272|12.422385|36.858105| |2.163087|2.340828|0.064607|2.095658|2.169743|0.055408|2.554228|4.118218|0.082638|2.833804|3.829959|4.982664|7.660794|13.182071|53.358707| |2.150044|2.276757|0.061765|2.041071|2.076387|0.053410|2.432071|3.873185|0.075903|2.758404|3.546991|4.330768|6.117744|7.856132|18.963572|36.858105| |2.390638|2.499581|0.066913|2.206744|2.204523|0.056394|2.588105|4.187779|0.080628|3.084079|3.821910|4.628203|6.109423|7.018056|11.545358|15.848636|73.516695| |1.875297|1.968376|0.053392|1.798309|1.832965|0.047792|2.116261|3.262995|0.064106|2.323962|2.901627|3.351739|4.430280|5.244701|11.309885|13.927947|14.893810|53.358707| |1.776754|1.833940|0.049344|1.686830|1.700124|0.044686|1.940027|2.943327|0.057378|2.138334|2.552410|2.837216|3.521868|3.906723|7.131508|7.743545|11.866172|18.403198|36.858105| |1.859793|1.903722|0.050528|1.757055|1.756045|0.046337|2.009049|3.027048|0.058081|2.230678|2.616071|2.818456|3.408885|3.547447|5.948500|6.257248|11.534859|10.544349|13.705455|36.858105| |1.711863|1.729605|0.045827|1.610822|1.598653|0.042522|1.800885|2.668994|0.051297|1.987590|2.245289|2.368127|2.747903|2.827816|4.528123|4.327047|8.042981|6.974995|7.908995|13.730889|36.858105| |1.541514|1.554996|0.041565|1.452537|1.444477|0.038501|1.609275|2.373487|0.046140|1.760834|1.971938|2.093626|2.408505|2.535070|4.078999|3.737026|6.622678|6.245747|6.940748|7.998916|13.726622|36.858105| |1.490069|1.512822|0.040802|1.409316|1.410001|0.037470|1.569587|2.326207|0.045658|1.709885|1.938211|2.093359|2.436371|2.642418|4.376005|3.958508|6.634883|7.060186|7.899131|6.836705|7.867153|13.897858|36.858105| |1.587626|1.628074|0.044079|1.506659|1.516691|0.040060|1.704427|2.556162|0.050314|1.861048|2.165736|2.388765|2.865925|3.202430|5.615171|5.284895|8.261018|10.848665|13.808013|7.982550|6.905649|8.111319|13.849146|36.858105| |1.510607|1.556930|0.042561|1.441150|1.458891|0.038486|1.631389|2.447731|0.048748|1.766565|2.064032|2.304831|2.762017|3.180994|5.643407|4.874009|7.260926|9.679377|8.164763|5.294428|4.653522|5.333691|8.141880|14.267278|97.533100| |1.435032|1.436881|0.038374|1.351165|1.338229|0.035860|1.475829|2.154093|0.041914|1.606665|1.761803|1.846345|2.077036|2.160299|3.374013|2.971641|5.335901|4.725977|4.669492|5.303587|8.159054|14.268775|8.163027|5.334154|9.173938|97.533100| |1.726772|1.727528|0.045345|1.620776|1.595603|0.042701|1.787754|2.617913|0.049902|1.972813|2.170564|2.231375|2.515142|2.509943|3.845498|3.522226|6.792613|5.259884|5.113802|7.704247|13.582912|8.008983|5.200138|4.581584|7.803162|16.159337|53.358707| |1.870132|1.869645|0.048480|1.763484|1.729870|0.046441|1.950459|2.836865|0.053346|2.150755|2.352780|2.359859|2.625766|2.529613|3.765963|3.394274|6.745290|4.803268|4.298928|6.249368|7.648671|5.172384|3.894523|3.689570|6.614759|10.731749|18.994736|36.858105| 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|7.004032|8.877723|0.174079|17.514590|8.845207|0.223097|6.790838|7.716463|0.136057|6.810133|4.142308|3.321444|2.726763|2.327793|2.785286|2.024493|3.919948|2.442267|1.700587|1.792824|1.653447|1.482719|1.426662|1.516162|3.238093|3.113959|2.288932|1.850279|3.665351|1.767872|5.476551|0.208126|0.141788|0.174272|0.500000| |6.820113|8.840240|0.214998|17.573689|8.828171|0.209021|5.519033|6.645885|0.132345|5.520976|3.546515|3.023299|2.466821|2.167324|2.578110|1.844004|3.519711|2.233328|1.546396|1.604241|1.482672|1.347898|1.310618|1.394488|3.014164|2.837343|2.032223|1.614195|3.153174|1.541823|6.989163|0.166895|0.140047|0.204142|0.303963|0.500000| |4.254417|5.751045|0.133108|6.806345|8.764311|0.221481|17.603786|12.457911|0.182248|7.082807|7.077255|4.567004|3.717351|2.908450|3.435528|2.457909|4.700414|2.928558|1.995732|2.099856|1.889227|1.672949|1.615427|1.744516|3.718234|3.458027|2.581490|2.100325|4.283584|1.951690|5.469125|0.120853|0.102967|0.102141|0.199049|0.139207|0.500000| |3.549063|4.862535|0.127864|5.500176|8.769764|0.211875|17.624103|12.378590|0.223471|5.616288|7.230312|4.834525|3.872185|3.024216|3.507876|2.413796|4.470429|2.880541|1.923969|1.972773|1.763464|1.584195|1.555044|1.695213|3.675246|3.263462|2.365467|1.882990|3.794366|1.736443|7.010578|0.094866|0.089124|0.088609|0.139064|0.123269|0.301428|0.500000| |6.920663|8.789907|0.215704|5.507056|4.850899|0.108227|5.611551|12.338657|0.222496|17.661065|7.127563|6.846240|4.631845|3.906008|4.254661|3.037521|6.139933|3.411110|2.287572|2.369090|2.091777|1.852784|1.807720|1.981778|4.238169|3.779198|2.797363|2.218018|4.476351|2.012102|4.194416|0.169087|0.206995|0.141477|0.139622|0.123418|0.145082|0.126637|0.500000| |6.913077|8.775299|0.173807|6.826627|5.753241|0.132192|7.087952|12.442460|0.182080|17.596012|7.015611|5.313253|4.059237|3.284979|3.791489|2.787891|5.630430|3.219662|2.208482|2.351099|2.103551|1.841531|1.766230|1.909694|4.027936|3.787388|2.882026|2.351633|4.815593|2.165531|4.276070|0.204853|0.170989|0.140850|0.200327|0.139531|0.216363|0.145126|0.301669|0.500000| |3.800221|4.670753|0.115419|4.216734|4.521258|0.109919|6.761561|12.400047|0.182535|7.262093|17.620323|8.780659|6.918849|4.577668|5.139343|3.685529|7.302751|4.115884|2.710053|2.857032|2.446858|2.110172|2.042689|2.268841|4.777093|4.235951|3.261146|2.653527|5.635385|2.339074|3.722131|0.106704|0.102527|0.088103|0.117401|0.094669|0.204588|0.169057|0.186638|0.222070|0.500000| |3.247681|4.148375|0.110289|3.958935|4.786072|0.116282|7.532599|12.405774|0.215687|5.610729|17.623448|8.849249|6.904291|4.528465|4.984468|3.327373|6.126698|3.806219|2.450432|2.488585|2.145165|1.899171|1.876504|2.096601|4.530621|3.826612|2.814791|2.231628|4.603668|1.986798|4.256938|0.087594|0.086923|0.078678|0.104334|0.091266|0.190462|0.238371|0.143319|0.147757|0.302015|0.500000| |3.297787|4.066225|0.118623|3.446729|3.771746|0.088832|4.722674|9.337596|0.218007|5.304235|8.856612|17.498378|8.785417|6.749821|6.157030|3.783904|6.896061|4.117222|2.560131|2.497106|2.128724|1.917278|1.938285|2.206095|4.880450|3.831619|2.723232|2.090419|4.211625|1.845258|3.764088|0.084486|0.094533|0.080068|0.087055|0.083172|0.114806|0.132519|0.164616|0.124849|0.172953|0.213020|0.500000| |3.878753|4.547817|0.125117|3.602214|3.625452|0.085585|4.492097|9.300201|0.183881|6.616770|8.820068|17.574679|8.907957|7.016920|6.502837|4.360861|8.774576|4.532202|2.866876|2.873367|2.424233|2.137160|2.126263|2.414430|5.205480|4.245575|3.121155|2.423283|4.952797|2.114943|3.372304|0.101061|0.115858|0.090019|0.093887|0.085531|0.117036|0.115484|0.244223|0.160197|0.209626|0.173365|0.302181|0.500000| |2.789444|3.137830|0.083303|2.791821|2.922238|0.073513|3.719617|6.312221|0.117215|4.175354|7.073998|8.890053|17.600960|8.933061|9.897133|6.933694|13.426148|6.679389|3.973922|4.002882|3.144836|2.673189|2.652317|3.116212|6.538155|5.135442|3.929646|3.068333|6.584395|2.540876|2.668195|0.077211|0.079791|0.067230|0.076630|0.067345|0.104990|0.102322|0.125876|0.117946|0.212406|0.173751|0.173540|0.212907|0.500000| |2.529206|2.935772|0.080605|2.685421|2.954119|0.074466|3.772968|6.205986|0.122870|3.730811|6.889038|8.802687|17.519117|8.815963|9.144735|5.249840|8.717668|5.633068|3.298596|3.161856|2.582949|2.291237|2.331923|2.733831|6.005135|4.470891|3.221528|2.465303|5.082636|2.106799|2.815342|0.068468|0.071313|0.062339|0.071899|0.065504|0.101333|0.111180|0.108663|0.100142|0.170002|0.205564|0.211490|0.173888|0.302095|0.500000| |2.368429|2.644742|0.075438|2.329756|2.453999|0.061371|2.884055|4.827067|0.102247|3.192199|4.436482|6.567817|8.782744|17.578320|12.621262|5.785069|9.048850|5.969938|3.357413|3.018350|2.479717|2.275546|2.398559|2.874776|6.621804|4.422808|3.015020|2.219271|4.400831|1.905034|2.441494|0.062729|0.069373|0.059152|0.061404|0.058506|0.075816|0.081813|0.099250|0.082750|0.110388|0.118133|0.191761|0.165137|0.174528|0.216415|0.500000| |2.681795|2.911597|0.081468|2.478163|2.510944|0.062339|2.944680|5.094066|0.104134|3.623638|4.654326|7.122292|8.848005|17.623027|12.641805|7.275025|13.321362|6.610961|3.802388|3.513627|2.833302|2.537267|2.625422|3.142060|6.950361|4.886193|3.446532|2.548859|5.104422|2.156756|2.423322|0.071562|0.080629|0.065638|0.066068|0.061729|0.079049|0.080062|0.118935|0.095263|0.122559|0.113687|0.176063|0.220575|0.207535|0.173862|0.303039|0.500000| |1.980339|2.151596|0.059636|1.958619|2.051836|0.052845|2.402827|3.780639|0.076436|2.559730|3.470663|4.320683|6.352050|9.038209|26.068159|9.318325|10.896380|10.567847|4.934983|4.016938|3.130324|2.887034|3.156030|4.065714|9.592589|5.403381|3.611924|2.579564|5.098888|2.145089|1.992704|0.053988|0.057311|0.049851|0.053086|0.049471|0.065799|0.068418|0.076910|0.069831|0.094124|0.095585|0.113325|0.111484|0.163851|0.176682|0.227375|0.182016|0.500000| |1.752147|1.845138|0.050492|1.694302|1.737761|0.045403|1.991086|3.048208|0.060629|2.150580|2.679797|3.102235|4.042905|4.919600|10.664306|9.402572|10.884608|26.054624|9.356870|5.785439|4.300038|4.122749|4.920212|7.602549|18.796779|7.224478|4.531767|3.031213|5.777316|2.445689|1.667130|0.048559|0.050809|0.044414|0.046699|0.043200|0.055741|0.055790|0.064160|0.060165|0.076053|0.072801|0.079949|0.084593|0.118060|0.108499|0.121257|0.123926|0.236271|0.500000| |2.046861|2.105308|0.055355|1.936996|1.934365|0.050890|2.243995|3.404096|0.064416|2.513393|2.994651|3.193488|3.897016|3.881504|6.299707|6.711505|13.769811|9.593514|8.930970|17.882723|8.957935|5.685843|4.945868|5.679139|9.607023|9.619089|9.515991|6.819935|15.062852|4.433266|1.771053|0.058878|0.058975|0.050953|0.055171|0.048666|0.065784|0.060848|0.074095|0.074563|0.093099|0.078271|0.076688|0.090539|0.133604|0.098654|0.089392|0.106705|0.114755|0.144770|0.500000| |1.381467|1.399691|0.037903|1.308467|1.309401|0.034879|1.446030|2.131417|0.042066|1.565908|1.757159|1.892965|2.173607|2.361900|3.845000|3.333103|5.573324|5.726117|5.628166|4.936788|5.615200|8.931086|17.764508|8.907283|16.495772|16.559195|5.747253|3.282658|5.393844|2.776829|1.246862|0.039008|0.039917|0.035652|0.036724|0.033982|0.041188|0.039876|0.045870|0.044723|0.051040|0.047458|0.049227|0.053339|0.064706|0.058221|0.060617|0.065245|0.078051|0.116186|0.107466|0.500000| |1.608995|1.600299|0.042126|1.507841|1.480894|0.039772|1.641963|2.387901|0.045757|1.803697|1.952943|2.002933|2.226923|2.235521|3.395008|3.026926|5.747701|4.525175|4.294192|5.751547|9.388180|7.711979|4.961227|4.127209|7.232147|19.409078|26.069529|9.427829|10.869713|7.703233|1.364809|0.046849|0.046043|0.041136|0.043453|0.038838|0.048243|0.044368|0.052050|0.053548|0.059341|0.051879|0.050430|0.057202|0.069755|0.058579|0.055580|0.062813|0.065709|0.081928|0.143327|0.117406|0.500000| |1.729404|1.689063|0.043810|1.603287|1.548520|0.041852|1.700551|2.442060|0.046268|1.885832|1.952116|1.944739|2.081800|2.025833|2.935172|2.531925|4.977233|3.534678|3.047361|3.870863|4.737786|3.951261|3.089814|2.821346|5.302986|9.388265|9.790941|8.821753|10.785538|17.563896|1.405179|0.051386|0.049120|0.044226|0.046984|0.041331|0.050705|0.045292|0.053754|0.057118|0.060209|0.051386|0.048747|0.056044|0.065282|0.054468|0.050524|0.057551|0.056266|0.064442|0.110227|0.076833|0.218154|0.500000| |1.882224|1.853727|0.047474|1.780337|1.724553|0.046895|1.914036|2.714585|0.050682|2.089858|2.179209|2.111282|2.248459|2.116228|3.020113|2.577652|5.101038|3.517656|2.924635|3.717630|4.151362|3.353576|2.738424|2.614755|4.982816|7.506048|7.841216|8.972147|13.497693|17.647014|1.540033|0.056616|0.052726|0.047815|0.052853|0.045490|0.058125|0.050813|0.058628|0.064565|0.068633|0.057480|0.052355|0.060279|0.071555|0.059119|0.052522|0.059493|0.057867|0.063817|0.113074|0.067741|0.150495|0.299369|0.500000| |1.628642|1.619294|0.042050|1.559752|1.531021|0.041712|1.693944|2.398259|0.045368|1.812209|1.936380|1.905136|2.066725|1.983808|2.901444|2.478379|4.735994|3.529064|3.031405|3.835951|4.664793|3.908917|3.072438|2.809217|5.292051|9.260291|9.401105|8.887972|11.183779|17.549350|1.389087|0.048210|0.045742|0.041747|0.045729|0.040137|0.050748|0.045632|0.051038|0.054858|0.059781|0.051847|0.047854|0.053821|0.064925|0.055123|0.049696|0.055176|0.056529|0.064829|0.109145|0.076501|0.202445|0.301215|0.300170|0.500000| |4.351003|6.378586|0.221247|6.629368|8.639763|0.172899|6.614064|8.812343|0.231122|5.435515|4.493052|3.941746|3.039871|2.644425|3.022528|2.064496|3.835922|2.466139|1.655511|1.671989|1.514029|1.385575|1.373013|1.489130|3.274213|2.878182|2.023016|1.578702|3.098185|1.471912|17.528692|0.103356|0.108978|0.116056|0.135697|0.172378|0.135591|0.170957|0.130912|0.120926|0.105614|0.121006|0.119925|0.104810|0.077905|0.082653|0.074228|0.073637|0.058541|0.048350|0.050468|0.035610|0.038437|0.039261|0.042661|0.038561|0.500000| |3.377650|4.549006|0.135025|5.433023|8.760172|0.215373|6.847591|7.305926|0.167748|4.238300|4.123344|3.449014|2.819343|2.414839|2.830444|1.936465|3.550799|2.350421|1.582995|1.601796|1.456372|1.334691|1.321005|1.428057|3.140139|2.780799|1.951926|1.528107|3.000071|1.431186|17.558026|0.085776|0.084232|0.090714|0.123156|0.141833|0.141980|0.210506|0.101143|0.103422|0.099194|0.121183|0.102695|0.088080|0.073079|0.079763|0.067806|0.065466|0.055755|0.046276|0.048284|0.034320|0.037139|0.037913|0.041568|0.037817|0.301601|0.500000| 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