Version2.2 2021-02-21T07:47:58Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 06-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2=[NH+]C([NH+]=c2c1)CCNC(=O)[C@@H]3C[C@@H](N(N3)[C@@H]4CCS(=O)(=O)C4)C5CC5 C63694303 RHF 6-31G(d) (6D,7F) c1ccc2=[NH+]C([NH+]=c2c1)CCNC(=O)[C@@H]3C[C@@H](N(N3)[C@@H]4CCS(=O)(=O)C4)C5CC5 C01[X(C20H29N5O3S1)] 168 C1 497 O=C([C@H]1NN([C@H](C1)C1CC1)[C@@H]1CCS(=O)(=O)C1)NCCC1[NH+]=c2c(=[NH+]1)cccc2 O=C([C@H]1NN([C@H](C1)C1CC1)[C@@H]1CCS(=O)(=O)C1)NCCC1[NH+]=c2c(=[NH+]1)cccc2 O=C(NCCC1[NH+]=C2C=CC=CC2=[NH+]1)[C@@H]3C[C@H](C4CC4)N(N3)[C@@H]5CC[S](=O)(=O)C5 InChIKey=JNCPGKJGHKKBBD-FHLIZLRMSA-P InChI=1S/C20H27N5O3S/c26-20(21-9-7-19-22-15-3-1-2-4-16(15)23-19)17-11-18(13-5-6-13)25(24-17)14-8-10-29(27,28)12-14/h1-4,13-14,17-19,24H,5-12H2,(H,21,26)/p+2/t14-,17+,18-/m1/s1 InChI=1/C20H27N5O3S/c26-20(21-9-7-19-22-15-3-1-2-4-16(15)23-19)17-11-18(13-5-6-13)25(24-17)14-8-10-29(27,28)12-14/h1-4,13-14,17-19,24H,5-12H2,(H,21,26)/p+2/t14-,17+,18-/m1/s1/fC20H29N5O3S/h21-23H/q+2 c1ccc2=[NH+]C([NH+]=c2c1)CCNC(=O)[C@@H]3C[C@@H](N(N3)[C@@H]4CCS(=O)(=O)C4)C5CC5 C01[X(C20H29N5O3S1)] 168 C01 497 O=C([C@H]1NN([C@H](C1)C1CC1)[C@@H]1CCS(=O)(=O)C1)NCCC1[NH+]=c2c(=[NH+]1)cccc2 O=C([C@H]1N[N@@]([C@H](C1)C1CC1)[C@@H]1CC[S]([O])([O])C1)NCC[C@@H]1[NH][C]2[CH]=CC=[CH][C]2[NH]1 [O][S]1([O])CC[C@H](C1)N2N[C@@H](C[C@@H]2C3CC3)C(=O)NCCC4N[C]5C=CC=C[C]5N4 InChIKey=CVGWNFUCIYJZAV-FHLIZLRMSA-N InChI=1S/C20H29N5O3S/c26-20(21-9-7-19-22-15-3-1-2-4-16(15)23-19)17-11-18(13-5-6-13)25(24-17)14-8-10-29(27,28)12-14/h1-4,13-14,17-19,22-24H,5-12H2,(H,21,26)/t14-,17+,18-/m1/s1 InChI=1/C20H29N5O3S/c26-20(21-9-7-19-22-15-3-1-2-4-16(15)23-19)17-11-18(13-5-6-13)25(24-17)14-8-10-29(27,28)12-14/h1-4,13-14,17-19,22-24H,5-12H2,(H,21,26)/t14-,17+,18-/m1/s1/f/h21H 3270.3199752110 -1667.9252209 1-A 12451.7297 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135.4717 148.3968 169.2013 185.0036 197.6535 233.0838 245.0922 251.6652 266.4066 280.5177 302.1089 320.8417 339.8951 361.3743 375.8256 392.4887 420.9442 428.5340 456.4361 457.5835 473.8332 477.8238 506.6131 517.3179 525.9221 537.5110 557.6928 574.6924 591.0957 596.2998 614.2081 642.9700 655.0035 723.2408 762.8099 776.5652 787.6967 807.3256 823.8447 833.2753 859.2316 861.9444 871.1068 881.2727 903.8310 909.3752 921.6330 928.0201 948.3093 956.2693 959.5114 971.5307 978.6177 980.5073 1008.9683 1009.8396 1026.7816 1036.1319 1049.7446 1056.2708 1073.5067 1082.0654 1094.4993 1105.5054 1110.5151 1132.5645 1144.9790 1146.4724 1163.1110 1164.2458 1174.9924 1185.4925 1197.0877 1201.0851 1207.4358 1226.8896 1235.9775 1248.4180 1256.8969 1263.8592 1268.5282 1273.0540 1297.0116 1303.8765 1312.0609 1316.1566 1317.6321 1323.9124 1337.5385 1343.6751 1371.2125 1379.6440 1387.5826 1402.4132 1414.2268 1427.2861 1430.9170 1432.3239 1441.7853 1458.7334 1470.6110 1473.7336 1476.2024 1491.1967 1497.2705 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0.3503 7.9701 12.0549 13.5872 32.0961 10.7781 30.8143 2.1835 1679.3214 0.1403 6.6819 1.5090 0.7198 23.1669 12.8852 121.5074 102.7742 6.1883 1.3010 261.5785 76.9554 1.6855 1.4581 2.2207 0.9419 2.2100 0.9225 2.1711 1.1418 1.1526 0.2112 0.8408 0.6666 0.2101 0.5232 0.7925 0.4100 1.6637 1.6293 0.2327 0.3309 1.8857 0.2210 1.8456 2.0637 1.2289 1.3417 0.4714 3.4343 3.4104 1.8792 2.6857 8.7230 2.4039 3.6563 0.4739 5.4924 1.9450 2.0287 1.0915 5.0264 1.4375 5.4355 0.8704 5.2600 15.8024 7.2089 3.0798 3.2040 2.3216 5.8031 3.4286 3.5953 4.9258 5.9032 2.8174 5.0508 17.0495 1.8412 3.7433 3.4851 2.1869 0.1214 20.9939 12.4545 6.4592 19.4936 3.1063 3.7121 5.5762 4.5962 8.3159 15.7308 3.1748 2.7622 18.1057 2.7724 1.9823 4.8837 10.4016 6.2987 4.7254 20.0935 5.4468 0.6935 15.3732 7.3981 0.9109 5.5341 3.5560 0.4430 3.8537 4.0883 16.3085 5.5230 24.0995 16.8648 27.1453 2.0625 4.6130 3.7240 2.8455 10.8803 10.1711 24.3727 1.1244 3.8240 4.0463 27.3745 18.1028 4.2529 13.7439 21.4202 3.8970 2.7565 3.9977 0.7095 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8 8 6 6 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 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 1.00783 14.00307 14.00307 12.00000 1.00783 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 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 6856.9642 16462.7680 21111.3058 0.99999 0.00402 -0.00268 -0.00401 0.99998 0.00523 0.00270 -0.00522 0.99998 1 0.01263 0.00526 0.00410 0.26320 0.10963 0.08549 32.35 59.05 65.74 85.36 105.43 114.01 128.95 137.16 151.99 171.97 194.91 213.51 243.44 266.18 284.38 335.36 352.63 362.09 383.30 403.60 434.67 461.62 489.03 519.94 540.73 564.70 605.64 616.56 656.71 658.36 681.74 687.48 728.90 744.31 756.68 773.36 802.40 826.85 850.45 857.94 883.71 925.09 942.40 1040.58 1097.51 1117.30 1133.32 1161.56 1185.33 1198.90 1236.24 1240.15 1253.33 1267.95 1300.41 1308.39 1326.02 1335.21 1364.41 1375.86 1380.52 1397.82 1408.01 1410.73 1451.68 1452.93 1477.31 1490.76 1510.35 1519.74 1544.54 1556.85 1574.74 1590.58 1597.78 1629.51 1647.37 1649.52 1673.46 1675.09 1690.55 1705.66 1722.34 1728.09 1737.23 1765.22 1778.30 1796.20 1808.39 1818.41 1825.13 1831.64 1866.11 1875.99 1887.76 1893.66 1895.78 1904.81 1924.42 1933.25 1972.87 1985.00 1996.42 2017.76 2034.76 2053.55 2058.77 2060.79 2074.41 2098.79 2115.88 2120.37 2123.93 2145.50 2154.24 2161.84 2191.34 2195.97 2198.87 2218.64 2244.90 2259.18 2288.03 2291.40 2303.11 2315.97 2322.54 2332.36 2354.92 2363.53 2372.94 2385.11 2405.03 2468.50 2492.97 2596.65 2604.34 2697.98 2741.10 4513.88 4585.87 4652.59 4660.06 4661.20 4672.54 4686.47 4722.73 4731.56 4745.21 4749.80 4760.37 4760.60 4762.46 4768.53 4778.76 4826.03 4827.49 4856.65 4872.63 4875.96 4897.08 4899.75 4904.94 4920.17 4925.24 5230.45 5447.77 5581.80 0.532294 0.556323 0.557268 0.478112 -1667.392927 -1667.368897 -1667.367953 -1667.447109 2.654905D-04 MUNgauss RevisionA2.1 retrievium 21-Feb-2021 DUDE c1ccc2=[NH+]C([NH+]=c2c1)CCNC(=O)[C@@H]3C[C@@H](N(N3)[C@@H]4CCS(=O)(=O)C4)C5CC5 C63694303 RHF 6-31G(d) (6D,10F) C1 419.199112 |X|Y|Z| 27.803266 57.147493 91.720334 52.624285 26 6 7 16 20 5 1 |36.858105| |12.871310|36.858105| |7.630675|14.153066|36.858105| |6.841569|8.141483|13.393757|36.858105| |4.722973|5.304595|7.684302|14.840615|53.358707| |3.969128|4.643636|6.751751|9.399247|25.821434|0.500000| |4.159524|4.163795|5.135402|8.264926|17.623241|0.242748|36.858105| |5.312424|4.750902|5.349213|8.553031|11.644204|0.165442|13.102610|53.358707| |4.652770|3.981200|4.227236|5.901294|8.039621|0.126949|8.722735|25.181795|0.500000| |8.098968|6.876126|7.503054|12.754517|11.652126|0.165170|8.326944|20.413324|0.260512|36.858105| |14.260365|7.683921|6.420495|7.455798|7.235729|0.117341|5.131719|10.443384|0.187684|13.180740|36.858105| |3.347249|3.354741|3.990595|5.512333|10.314292|0.184050|12.280638|10.206312|0.180857|5.512414|3.971446|36.858105| |2.713503|2.683853|3.076901|3.943102|6.816228|0.130925|7.276251|7.267064|0.145972|4.056556|3.172158|12.359874|36.858105| |2.585287|2.467741|2.719834|3.403581|5.428056|0.101402|5.621778|6.749132|0.151455|3.750932|3.075468|7.508388|13.164182|53.358707| |2.726370|2.532316|2.736384|3.433512|5.276323|0.095892|5.532916|7.379995|0.181856|3.992581|3.325297|5.999509|7.835424|19.250990|36.858105| |3.130754|2.883982|3.136699|4.068015|6.257593|0.109778|7.009155|9.736252|0.248654|4.901400|3.923873|6.319922|7.047456|11.735111|15.727051|73.516695| |2.365248|2.174705|2.288587|2.747985|4.054606|0.075241|3.865730|5.415568|0.132530|3.179818|2.826391|4.092462|5.015780|10.533148|12.478073|14.064446|36.858105| |2.164015|2.020229|2.137808|2.537327|3.779695|0.071467|3.526669|4.755046|0.111424|2.851653|2.535924|3.698349|4.680152|9.040844|9.160771|11.881201|17.549067|0.500000| |2.154075|1.984742|2.070289|2.433364|3.545245|0.066599|3.242878|4.550233|0.108399|2.777466|2.529901|3.606280|4.303874|8.699642|7.257382|9.169754|12.283857|0.241248|36.858105| |2.135844|1.929643|1.967985|2.273839|3.210663|0.059956|2.852107|4.195812|0.101198|2.643527|2.507370|3.024827|3.349193|6.072482|5.251127|7.647373|7.862191|0.168455|12.354812|36.858105| |1.952154|1.774409|1.805694|2.062103|2.908279|0.054820|2.542441|3.694904|0.087415|2.364191|2.259770|2.654672|2.956098|5.175114|4.449268|6.707274|6.664064|0.162385|8.796977|17.429154|0.500000| |2.485160|2.193072|2.218281|2.598065|3.615532|0.066132|3.268284|5.064807|0.128710|3.141957|3.004125|3.307114|3.526863|6.296658|6.039837|9.444085|8.435065|0.168055|8.296490|12.923254|0.251111|53.358707| |2.472946|2.215395|2.277006|2.701178|3.840824|0.070420|3.559610|5.351825|0.135502|3.227665|2.987673|3.514384|3.913131|7.111731|7.806836|12.273669|13.156849|0.255404|8.007555|8.362533|0.206803|18.240206|53.358707| |2.507273|2.168352|2.141127|2.452851|3.315061|0.060634|2.887467|4.599015|0.114752|2.991460|3.008771|2.811623|2.879633|4.773361|4.363845|7.527363|5.326949|0.121583|5.126872|7.391411|0.184706|17.836946|11.030906|36.858105| |2.240906|1.964320|1.941330|2.195320|2.979756|0.055185|2.557554|3.962887|0.095821|2.612397|2.627803|2.488857|2.588314|4.233870|3.809931|6.565381|4.782769|0.116304|4.612960|6.594939|0.192465|12.227046|9.677501|17.481089|0.500000| |2.476591|2.123701|2.064040|2.319898|3.082609|0.056586|2.609100|4.172146|0.101169|2.814019|2.924811|2.577588|2.567030|4.130740|3.524952|6.069397|4.011249|0.093806|4.211269|5.883818|0.144275|10.363364|6.935098|12.361453|0.243790|36.858105| |2.954699|2.467539|2.370323|2.679174|3.489912|0.063099|2.942280|4.900134|0.120069|3.353397|3.576295|2.891969|2.758501|4.346928|3.632528|6.404742|3.797424|0.087701|3.907689|4.837231|0.113323|8.521862|6.156102|7.629335|0.153922|12.384064|36.858105| |3.742523|2.991704|2.853606|3.315145|4.226397|0.074288|3.632575|6.583493|0.172488|4.469114|4.892665|3.329719|3.086881|4.770910|4.200403|8.077661|4.111014|0.094897|3.775316|4.290198|0.102852|8.325545|6.943253|7.239952|0.147285|7.196421|10.634417|388.023441| |4.194142|3.398701|3.358017|4.146960|5.367408|0.091282|4.911048|9.792029|0.299683|5.987586|5.880676|4.460600|3.952665|6.108334|5.402273|10.745865|4.718684|0.105762|4.189787|4.333669|0.100595|8.147372|7.286286|5.676692|0.120658|5.256344|7.173725|92.635731|73.516695| |4.326654|3.272991|2.977478|3.322395|4.055105|0.071530|3.292138|5.953461|0.142377|4.464470|5.539777|2.926866|2.653327|3.911066|3.318138|6.525082|3.189999|0.077127|2.940173|3.254232|0.081395|5.752162|5.169199|5.009011|0.114874|5.246584|7.042447|93.908765|13.884037|73.516695| |2.981748|2.502949|2.438008|2.810832|3.712350|0.066738|3.226425|5.418179|0.138564|3.564582|3.687424|2.968772|2.932361|4.667912|4.349722|8.280911|4.730721|0.110888|4.118303|4.958696|0.125681|10.711187|9.475405|12.385186|0.245054|7.871762|7.123060|75.866408|12.610554|12.674167|36.858105| |2.030701|1.836683|1.858200|2.113273|2.951009|0.055438|2.550503|3.754052|0.088368|2.432567|2.348704|2.750150|2.950179|5.088257|4.032702|6.093583|5.074108|0.116881|7.538897|12.612962|0.248399|10.141791|7.018363|5.794488|0.143800|5.899288|4.986063|27.849037|6.908026|5.442132|4.098003|36.858105| |1.760530|1.619225|1.644645|1.845500|2.592823|0.049486|2.199103|3.146862|0.071910|2.068427|1.993309|2.395625|2.605134|4.361959|3.305710|5.027711|4.057986|0.100706|5.861905|7.372270|0.192679|6.622504|5.339904|4.102958|0.109725|4.180823|3.638018|21.282727|5.316352|4.391543|3.135399|12.671245|36.858105| |1.817050|1.646539|1.649046|1.838996|2.540438|0.048131|2.138901|3.141805|0.072472|2.091459|2.061686|2.263602|2.394578|3.940016|3.099642|4.886655|3.775755|0.092727|4.933000|7.229377|0.195424|7.192991|5.437268|4.934842|0.133945|5.463473|4.330612|23.730219|5.602836|4.878494|3.560347|12.670879|12.782071|36.858105| |17.740561|8.713225|5.571669|4.942839|5.077005|0.090276|3.393453|5.725111|0.107923|5.690383|9.118567|2.843464|2.378616|3.137224|2.438389|4.892047|2.171708|0.055382|2.002231|2.017851|0.051591|3.181183|3.128058|2.408818|0.060262|2.422668|2.883586|25.400338|6.701564|7.710258|2.859398|1.937620|1.687388|1.759120|0.500000| |8.713695|17.726076|9.106092|5.720409|5.725057|0.107796|3.396575|5.099727|0.090481|4.958262|5.596111|2.850564|2.345350|2.953047|2.215789|4.413604|1.938162|0.050402|1.787507|1.747830|0.044983|2.673175|2.690242|1.956934|0.049740|1.933302|2.221990|18.664300|5.140589|5.147677|2.233956|1.676733|1.493120|1.520718|0.216005|0.500000| |5.467904|8.938512|17.757800|8.725116|9.089454|0.188166|4.465832|5.879125|0.097929|5.410953|4.715651|3.653418|2.882492|3.420736|2.487779|4.983609|2.098014|0.055089|1.911361|1.806209|0.046341|2.727697|2.810743|1.926911|0.049012|1.858432|2.102544|17.549154|5.080571|4.533621|2.158444|1.711824|1.533987|1.528337|0.122681|0.215388|0.500000| |3.681710|3.683223|4.433515|6.435613|12.407948|0.205406|17.622553|12.565560|0.205942|6.477646|4.436260|8.671891|7.115732|7.620908|5.825171|14.147754|4.042515|0.105937|3.246194|2.832922|0.071336|4.423482|5.048994|2.869661|0.071754|2.526170|2.761776|24.340791|7.855499|5.517464|3.221886|2.475141|2.148614|2.088336|0.085538|0.085562|0.110517|0.500000| |8.945575|5.482073|4.714330|5.393554|5.863148|0.098089|4.482303|9.111396|0.189912|8.670045|17.740061|3.643209|3.032199|4.166941|3.400135|7.061085|2.974541|0.073154|2.673115|2.723465|0.067909|4.560712|4.428613|3.465567|0.082654|3.408976|4.307102|45.605043|12.857241|14.281907|4.423796|2.550649|2.129404|2.241938|0.214402|0.122775|0.103483|0.111065|0.500000| |3.465917|3.378321|3.881019|5.211343|8.576023|0.149874|8.782867|10.022279|0.188531|5.587173|4.172686|17.593343|8.750564|9.605075|5.725635|10.190816|4.084316|0.098994|3.779756|3.217818|0.076808|4.786258|4.846392|2.977778|0.071978|2.797224|3.232963|25.911866|8.966320|5.603796|3.106396|3.001913|2.577740|2.439389|0.082252|0.079747|0.097034|0.175573|0.108186|0.500000| |3.155804|3.303865|4.048516|5.349233|10.417244|0.213331|8.943171|7.844585|0.136494|4.799003|3.570143|17.567112|8.965318|7.664127|4.556673|8.403495|3.370143|0.087110|3.062498|2.608930|0.064659|3.798368|3.998607|2.426432|0.060569|2.261999|2.521615|20.199076|6.454353|4.571930|2.547921|2.421801|2.160129|2.035766|0.074823|0.079106|0.107269|0.192305|0.089427|0.303892|0.500000| |2.441808|2.447382|2.796047|3.446958|5.831118|0.117203|5.490630|5.780950|0.115340|3.442347|2.781677|8.980672|17.629987|12.718523|5.805214|9.049536|4.263497|0.112976|3.951537|3.080367|0.076194|4.243936|4.571208|2.574629|0.064992|2.345698|2.507470|19.263444|5.971859|4.194740|2.569464|2.799481|2.543853|2.297188|0.060151|0.060322|0.074248|0.146051|0.073890|0.204654|0.233613|0.500000| |2.613962|2.616787|3.023213|3.839773|6.753324|0.133853|6.978314|6.741090|0.132922|3.845588|3.017236|8.816792|17.557295|12.419699|7.018074|12.342082|4.704740|0.129792|3.857997|3.065941|0.077266|4.426453|5.103576|2.711269|0.068912|2.383734|2.516748|20.337549|6.314621|4.451677|2.802149|2.662353|2.378722|2.207148|0.063751|0.063829|0.079613|0.222768|0.079644|0.173348|0.206095|0.303673|0.500000| |2.308640|2.210772|2.411109|2.926558|4.571114|0.087355|4.400156|5.426758|0.120683|3.177404|2.694162|5.780248|9.084395|26.053854|9.374754|10.929969|7.339701|0.181868|7.206401|4.656495|0.110464|6.046206|6.576001|3.342949|0.083599|2.939678|3.032344|22.550084|6.903636|4.647672|3.140636|3.978937|3.517887|3.050910|0.057976|0.054716|0.062590|0.121087|0.075058|0.159027|0.132144|0.238350|0.192896|0.500000| |2.241583|2.071983|2.171770|2.566315|3.755540|0.070412|3.446906|4.807321|0.113603|2.922574|2.636837|4.023204|4.756065|9.821059|7.098719|8.963193|8.651644|0.178174|17.585382|8.870321|0.175371|9.369725|8.379618|4.569839|0.110696|4.046147|4.005487|26.974660|7.813501|5.259084|3.820089|7.386395|5.752344|4.713568|0.057574|0.051673|0.055644|0.092844|0.076819|0.121865|0.094253|0.123800|0.112129|0.239135|0.500000| |1.931261|1.803323|1.886807|2.188912|3.206238|0.061250|2.868772|3.917446|0.090400|2.437403|2.226554|3.208322|3.908160|7.459521|5.729778|7.599605|8.632118|0.223645|17.608363|8.693351|0.220782|8.026333|8.214925|4.161517|0.109944|3.531512|3.243567|22.174416|6.024920|4.490560|3.417586|6.358797|5.912140|4.626703|0.050104|0.045505|0.048939|0.080684|0.064652|0.091594|0.077860|0.103573|0.099773|0.182568|0.301879|0.500000| |2.225171|2.010264|2.058069|2.395799|3.396823|0.063217|3.055482|4.494777|0.109205|2.797152|2.628837|3.011982|3.372722|5.882530|5.886916|9.503960|9.499490|0.242542|6.855284|7.624320|0.227779|13.024217|25.697334|7.310481|0.211306|4.673288|3.935823|30.356048|7.554051|5.967318|6.043629|4.793804|3.845545|3.952391|0.058076|0.050370|0.052348|0.089491|0.079109|0.083828|0.071782|0.082461|0.091932|0.115078|0.143057|0.161018|0.500000| |2.230685|1.948117|1.908110|2.133438|2.865279|0.053146|2.414169|3.754811|0.089300|2.529710|2.589579|2.446887|2.472088|4.002554|3.316593|5.532877|3.851734|0.090916|4.348286|6.383581|0.156914|9.362671|6.277185|8.664271|0.202013|17.717916|8.798552|37.845285|7.778765|7.338751|5.607138|7.473375|5.134840|7.565916|0.060572|0.049584|0.048186|0.064834|0.081753|0.074041|0.060174|0.063789|0.063405|0.081164|0.116957|0.103138|0.120383|0.500000| |2.377835|2.033631|1.953974|2.160437|2.842539|0.052460|2.358727|3.756086|0.089101|2.595359|2.757027|2.295448|2.272898|3.568475|3.016510|5.310764|3.378199|0.081879|3.457746|4.576595|0.120050|7.625082|5.783622|8.917850|0.221889|17.574173|8.825963|43.957964|7.844039|9.163760|7.078276|4.575771|3.545182|4.603757|0.065697|0.051916|0.049013|0.063883|0.089553|0.068354|0.056701|0.057986|0.059456|0.070463|0.091775|0.083462|0.113036|0.304141|0.500000| |2.916974|2.479228|2.418734|2.763227|3.649157|0.066013|3.110241|5.106758|0.124817|3.427675|3.531037|3.170936|3.017215|4.817487|3.907608|6.664090|4.014490|0.091036|4.325318|5.192089|0.115856|8.569153|6.110082|6.378187|0.132644|8.676426|17.650614|57.795975|13.006611|9.962783|5.674508|5.678531|4.023000|4.600077|0.077797|0.061763|0.059778|0.079670|0.114193|0.101427|0.076323|0.076714|0.074689|0.094239|0.129824|0.098113|0.106338|0.218157|0.173735|0.500000| |2.945486|2.440560|2.300620|2.538327|3.252378|0.059179|2.660166|4.397512|0.103678|3.132334|3.465643|2.598097|2.444172|3.738279|3.044031|5.437211|3.126421|0.074419|3.214533|3.847953|0.093800|6.313656|4.925947|5.595240|0.125166|8.639604|17.628445|57.342013|10.119771|12.477805|5.568740|4.083901|3.180615|3.782244|0.081899|0.061780|0.056796|0.069113|0.116454|0.080415|0.064167|0.062474|0.062400|0.072803|0.091969|0.076576|0.090291|0.194004|0.221268|0.299116|0.500000| |2.858133|2.390622|2.290871|2.574895|3.354405|0.060898|2.821108|4.664616|0.113614|3.201868|3.429899|2.579392|2.531101|3.916057|3.513139|6.705079|3.785725|0.092832|3.390308|4.052697|0.107380|7.703561|7.065365|8.749893|0.217757|6.961299|6.111053|58.086513|9.647278|12.640680|17.597841|3.515598|2.801785|3.229165|0.077988|0.060062|0.056606|0.078541|0.114679|0.074453|0.062781|0.062512|0.067981|0.074087|0.087881|0.081092|0.135890|0.140631|0.206770|0.131996|0.147356|0.500000| |3.048917|2.592489|2.566146|3.010892|4.033351|0.072176|3.586010|6.001357|0.155780|3.823613|3.805319|3.207628|3.207837|5.103539|4.998675|10.105803|5.310439|0.126161|4.213208|4.712483|0.121154|9.938646|11.100303|8.609931|0.198055|5.611210|5.326687|57.124053|12.180484|10.625545|17.684803|3.731829|2.932715|3.195223|0.079686|0.063766|0.063068|0.102573|0.123121|0.090758|0.075656|0.076508|0.086827|0.093132|0.106731|0.097466|0.191578|0.123357|0.141533|0.129443|0.120890|0.297745|0.500000| |2.181715|1.963858|1.983695|2.263170|3.144280|0.058718|2.716091|4.043890|0.095340|2.624811|2.537542|2.967573|3.100837|5.294799|4.083880|6.223827|4.739730|0.107275|6.629361|8.721490|0.172983|9.230558|6.429847|5.398385|0.126746|5.938997|5.681575|30.161162|7.690761|5.827290|4.068795|17.667457|8.668517|8.617381|0.057670|0.049612|0.050523|0.071676|0.076688|0.092625|0.072317|0.081905|0.076110|0.113792|0.209385|0.150439|0.116709|0.202879|0.125567|0.200043|0.127990|0.096327|0.102004|0.500000| |1.709145|1.582283|1.609355|1.796092|2.524424|0.048428|2.118997|3.007541|0.067805|1.992872|1.919436|2.340131|2.522856|4.136060|3.028053|4.637373|3.531229|0.088377|4.909156|5.504287|0.140256|5.485816|4.548232|3.469293|0.091569|3.639517|3.341918|19.553987|4.956618|4.105716|2.775415|8.576550|17.726388|8.603650|0.045536|0.040661|0.041868|0.056973|0.056527|0.070547|0.059286|0.069649|0.063491|0.093452|0.144215|0.138587|0.089683|0.121788|0.087147|0.104718|0.083120|0.069513|0.072405|0.213682|0.500000| |1.666413|1.544003|1.576429|1.768422|2.503474|0.048071|2.125133|2.997672|0.068100|1.964110|1.879207|2.310235|2.565564|4.302359|3.266125|4.935940|4.124653|0.106587|5.934023|6.924009|0.205624|6.167159|5.310828|3.797731|0.105213|3.663893|3.168631|19.435613|4.881735|4.055634|2.949584|8.563642|17.701322|8.633094|0.044289|0.039614|0.041038|0.058456|0.055384|0.067802|0.058093|0.069821|0.065999|0.097541|0.150722|0.185166|0.110055|0.119411|0.088496|0.094887|0.077426|0.073644|0.078367|0.171624|0.293339|0.500000| |1.748537|1.584129|1.582929|1.758890|2.425960|0.046043|2.036340|2.990373|0.068903|1.997360|1.977475|2.120800|2.252187|3.679798|2.951905|4.718298|3.663028|0.092208|4.543080|6.727755|0.211260|6.986066|5.473576|5.084233|0.149612|5.355456|4.002071|22.789890|5.265444|4.748025|3.608908|8.561517|8.629104|17.695386|0.047192|0.040747|0.040805|0.055891|0.059841|0.062554|0.053092|0.059667|0.058579|0.078374|0.114661|0.120914|0.115656|0.196797|0.131827|0.112089|0.098008|0.092778|0.090111|0.170748|0.171495|0.212411|0.500000| 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